Browse entries in the PDBbind-CN Database
HEADER 3WUT_COMPLEX COMPND 3WUT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 53 SER PHE ASN SER SER ILE ASN ASN ILE HIS GLU MET GLU SEQRES 2 A 53 ILE GLN LEU LYS ASP ALA LEU GLU LYS ASN GLN GLN TRP SEQRES 3 A 53 LEU VAL TYR ASP GLN GLN ARG GLU VAL TYR VAL LYS GLY SEQRES 4 A 53 LEU LEU ALA LYS ILE PHE GLU LEU GLU LYS LYS THR GLU SEQRES 5 A 53 THR SEQRES 1 B 44 HIS GLU MET GLU ILE GLN LEU LYS ASP ALA LEU GLU LYS SEQRES 2 B 44 ASN GLN GLN TRP LEU VAL TYR ASP GLN GLN ARG GLU VAL SEQRES 3 B 44 TYR VAL LYS GLY LEU LEU ALA LYS ILE PHE GLU LEU GLU SEQRES 4 B 44 LYS LYS THR GLU THR HET LEU A 149 195 ATOM 1 N SER A 159 9.346 71.857 14.074 1.00 98.19 N ATOM 2 CA SER A 159 10.586 72.607 13.895 1.00 92.92 C ATOM 3 C SER A 159 11.703 71.703 13.366 1.00 91.02 C ATOM 4 O SER A 159 11.453 70.577 12.929 1.00 85.39 O ATOM 5 CB SER A 159 11.008 73.273 15.213 1.00 92.77 C ATOM 6 OG SER A 159 12.105 74.157 15.036 1.00 84.49 O ATOM 7 HG SER A 159 12.344 74.563 15.907 1.00 0.00 H ATOM 8 HN3 SER A 159 9.503 71.087 14.755 1.00 0.00 H ATOM 9 HN2 SER A 159 9.049 71.458 13.161 1.00 0.00 H ATOM 10 HN1 SER A 159 8.606 72.493 14.433 1.00 0.00 H ATOM 11 N PHE A 160 12.932 72.208 13.411 1.00 89.90 N ATOM 12 CA PHE A 160 14.100 71.479 12.932 1.00 83.72 C ATOM 13 C PHE A 160 14.721 70.605 14.033 1.00 80.12 C ATOM 14 O PHE A 160 15.670 69.856 13.776 1.00 73.06 O ATOM 15 CB PHE A 160 15.137 72.476 12.412 1.00 77.95 C ATOM 16 CG PHE A 160 15.590 73.468 13.452 1.00 74.79 C ATOM 17 CD1 PHE A 160 16.636 73.160 14.316 1.00 74.65 C ATOM 18 CD2 PHE A 160 14.967 74.695 13.583 1.00 73.78 C ATOM 19 CE1 PHE A 160 17.063 74.054 15.285 1.00 68.14 C ATOM 20 CE2 PHE A 160 15.389 75.599 14.557 1.00 82.34 C ATOM 21 CZ PHE A 160 16.442 75.274 15.407 1.00 71.41 C ATOM 22 H PHE A 160 13.066 73.162 13.804 1.00 0.00 H ATOM 23 N ASN A 161 14.202 70.728 15.258 1.00 81.37 N ATOM 24 CA ASN A 161 14.677 69.930 16.390 1.00 80.57 C ATOM 25 C ASN A 161 14.507 68.448 16.107 1.00 83.10 C ATOM 26 O ASN A 161 15.396 67.641 16.397 1.00 77.26 O ATOM 27 CB ASN A 161 13.930 70.290 17.682 1.00 82.48 C ATOM 28 CG ASN A 161 14.302 71.666 18.216 1.00 88.96 C ATOM 29 OD1 ASN A 161 14.795 72.517 17.474 1.00 90.27 O ATOM 30 ND2 ASN A 161 14.062 71.891 19.508 1.00 80.03 N ATOM 31 HD22 ASN A 161 13.644 71.143 20.097 1.00 0.00 H ATOM 32 HD21 ASN A 161 14.293 72.815 19.927 1.00 0.00 H ATOM 33 H ASN A 161 13.435 71.413 15.413 1.00 0.00 H ATOM 34 N SER A 162 13.353 68.112 15.532 1.00 79.54 N ATOM 35 CA SER A 162 13.002 66.742 15.187 1.00 74.11 C ATOM 36 C SER A 162 13.996 66.131 14.201 1.00 78.29 C ATOM 37 O SER A 162 14.345 64.959 14.318 1.00 74.65 O ATOM 38 CB SER A 162 11.588 66.690 14.602 1.00 73.87 C ATOM 39 OG SER A 162 11.212 65.361 14.286 1.00 74.37 O ATOM 40 HG SER A 162 11.844 64.990 13.620 1.00 0.00 H ATOM 41 H SER A 162 12.669 68.866 15.319 1.00 0.00 H ATOM 42 N SER A 163 14.455 66.929 13.240 1.00 77.00 N ATOM 43 CA SER A 163 15.375 66.443 12.213 1.00 75.25 C ATOM 44 C SER A 163 16.776 66.185 12.768 1.00 75.27 C ATOM 45 O SER A 163 17.435 65.222 12.368 1.00 70.06 O ATOM 46 CB SER A 163 15.442 67.424 11.042 1.00 57.30 C ATOM 47 OG SER A 163 14.255 67.382 10.265 1.00 71.65 O ATOM 48 HG SER A 163 14.329 68.026 9.517 1.00 0.00 H ATOM 49 H SER A 163 14.152 67.924 13.219 1.00 0.00 H ATOM 50 N ILE A 164 17.221 67.046 13.683 1.00 70.87 N ATOM 51 CA ILE A 164 18.532 66.903 14.312 1.00 63.87 C ATOM 52 C ILE A 164 18.532 65.697 15.241 1.00 70.06 C ATOM 53 O ILE A 164 19.423 64.847 15.156 1.00 60.84 O ATOM 54 CB ILE A 164 18.924 68.172 15.093 1.00 56.20 C ATOM 55 CG1 ILE A 164 18.994 69.364 14.139 1.00 58.87 C ATOM 56 CG2 ILE A 164 20.249 67.979 15.831 1.00 55.83 C ATOM 57 CD1 ILE A 164 18.844 70.677 14.822 1.00 60.83 C ATOM 58 H ILE A 164 16.615 67.845 13.958 1.00 0.00 H ATOM 59 N ASN A 165 17.521 65.629 16.112 1.00 73.99 N ATOM 60 CA ASN A 165 17.335 64.499 17.025 1.00 72.93 C ATOM 61 C ASN A 165 17.344 63.147 16.310 1.00 72.98 C ATOM 62 O ASN A 165 17.937 62.186 16.807 1.00 69.46 O ATOM 63 CB ASN A 165 16.048 64.663 17.845 1.00 68.27 C ATOM 64 CG ASN A 165 16.228 65.600 19.035 1.00 73.34 C ATOM 65 OD1 ASN A 165 17.164 65.451 19.821 1.00 67.41 O ATOM 66 ND2 ASN A 165 15.331 66.573 19.167 1.00 68.45 N ATOM 67 HD22 ASN A 165 14.556 66.662 18.480 1.00 0.00 H ATOM 68 HD21 ASN A 165 15.405 67.245 19.958 1.00 0.00 H ATOM 69 H ASN A 165 16.837 66.412 16.143 1.00 0.00 H ATOM 70 N ASN A 166 16.706 63.083 15.140 1.00 70.39 N ATOM 71 CA ASN A 166 16.661 61.851 14.355 1.00 67.20 C ATOM 72 C ASN A 166 18.040 61.381 13.904 1.00 69.16 C ATOM 73 O ASN A 166 18.310 60.180 13.866 1.00 66.83 O ATOM 74 CB ASN A 166 15.728 61.994 13.151 1.00 63.61 C ATOM 75 CG ASN A 166 14.274 62.163 13.560 1.00 75.22 C ATOM 76 OD1 ASN A 166 13.912 61.952 14.722 1.00 68.75 O ATOM 77 ND2 ASN A 166 13.432 62.549 12.608 1.00 72.62 N ATOM 78 HD22 ASN A 166 13.780 62.716 11.642 1.00 0.00 H ATOM 79 HD21 ASN A 166 12.425 62.685 12.828 1.00 0.00 H ATOM 80 H ASN A 166 16.228 63.932 14.777 1.00 0.00 H ATOM 81 N ILE A 167 18.911 62.328 13.570 1.00 69.02 N ATOM 82 CA ILE A 167 20.276 61.995 13.166 1.00 73.39 C ATOM 83 C ILE A 167 21.124 61.509 14.348 1.00 78.45 C ATOM 84 O ILE A 167 21.943 60.604 14.189 1.00 80.25 O ATOM 85 CB ILE A 167 20.965 63.167 12.440 1.00 76.82 C ATOM 86 CG1 ILE A 167 20.063 63.670 11.312 1.00 66.16 C ATOM 87 CG2 ILE A 167 22.326 62.736 11.904 1.00 71.18 C ATOM 88 CD1 ILE A 167 20.682 64.715 10.467 1.00 65.92 C ATOM 89 H ILE A 167 18.616 63.325 13.597 1.00 0.00 H ATOM 90 N HIS A 168 20.927 62.104 15.525 1.00 75.30 N ATOM 91 CA HIS A 168 21.506 61.556 16.749 1.00 79.05 C ATOM 92 C HIS A 168 20.955 60.147 16.979 1.00 81.40 C ATOM 93 O HIS A 168 21.723 59.196 17.139 1.00 81.74 O ATOM 94 CB HIS A 168 21.202 62.445 17.961 1.00 70.78 C ATOM 95 CG HIS A 168 22.159 63.587 18.132 1.00 78.05 C ATOM 96 ND1 HIS A 168 23.475 63.405 18.504 1.00 81.53 N ATOM 97 CD2 HIS A 168 21.987 64.924 17.995 1.00 74.76 C ATOM 98 CE1 HIS A 168 24.077 64.580 18.576 1.00 75.25 C ATOM 99 NE2 HIS A 168 23.196 65.520 18.274 1.00 68.88 N ATOM 100 H HIS A 168 20.353 62.970 15.572 1.00 0.00 H ATOM 101 N GLU A 169 19.626 60.031 16.974 1.00 74.71 N ATOM 102 CA GLU A 169 18.931 58.758 17.171 1.00 78.05 C ATOM 103 C GLU A 169 19.410 57.675 16.199 1.00 82.93 C ATOM 104 O GLU A 169 19.627 56.527 16.596 1.00 79.95 O ATOM 105 CB GLU A 169 17.414 58.949 17.040 1.00 76.99 C ATOM 106 CG GLU A 169 16.633 57.648 16.870 1.00 83.55 C ATOM 107 CD GLU A 169 15.471 57.763 15.883 1.00 97.40 C ATOM 108 OE1 GLU A 169 15.446 58.730 15.087 1.00 84.54 O ATOM 109 OE2 GLU A 169 14.584 56.878 15.898 1.00 95.31 O ATOM 110 H GLU A 169 19.056 60.887 16.823 1.00 0.00 H ATOM 111 N MET A 170 19.583 58.045 14.933 1.00 77.35 N ATOM 112 CA MET A 170 20.066 57.111 13.923 1.00 82.24 C ATOM 113 C MET A 170 21.519 56.686 14.175 1.00 86.75 C ATOM 114 O MET A 170 21.902 55.551 13.886 1.00 83.03 O ATOM 115 CB MET A 170 19.930 57.717 12.529 1.00 76.75 C ATOM 116 CG MET A 170 20.222 56.746 11.414 1.00 83.03 C ATOM 117 SD MET A 170 20.289 57.547 9.807 1.00106.09 S ATOM 118 CE MET A 170 21.354 58.952 10.151 1.00 87.44 C ATOM 119 H MET A 170 19.368 59.024 14.657 1.00 0.00 H ATOM 120 N GLU A 171 22.324 57.601 14.708 1.00 77.47 N ATOM 121 CA GLU A 171 23.694 57.280 15.071 1.00 80.48 C ATOM 122 C GLU A 171 23.710 56.386 16.295 1.00 79.99 C ATOM 123 O GLU A 171 24.514 55.463 16.374 1.00 79.85 O ATOM 124 CB GLU A 171 24.492 58.544 15.363 1.00 76.89 C ATOM 125 CG GLU A 171 24.824 59.359 14.130 1.00 85.50 C ATOM 126 CD GLU A 171 25.201 60.791 14.466 1.00 85.39 C ATOM 127 OE1 GLU A 171 25.876 61.013 15.500 1.00 71.42 O ATOM 128 OE2 GLU A 171 24.809 61.693 13.695 1.00 78.04 O ATOM 129 H GLU A 171 21.966 58.564 14.868 1.00 0.00 H ATOM 130 N ILE A 172 22.823 56.679 17.248 1.00 83.05 N ATOM 131 CA ILE A 172 22.654 55.861 18.449 1.00 82.67 C ATOM 132 C ILE A 172 22.404 54.415 18.069 1.00 82.64 C ATOM 133 O ILE A 172 23.055 53.507 18.586 1.00 74.70 O ATOM 134 CB ILE A 172 21.470 56.346 19.330 1.00 84.91 C ATOM 135 CG1 ILE A 172 21.780 57.712 19.951 1.00 86.81 C ATOM 136 CG2 ILE A 172 21.120 55.304 20.403 1.00 86.28 C ATOM 137 CD1 ILE A 172 23.176 57.831 20.527 1.00 85.47 C ATOM 138 H ILE A 172 22.227 57.524 17.132 1.00 0.00 H ATOM 139 N GLN A 173 21.468 54.217 17.145 1.00 84.19 N ATOM 140 CA GLN A 173 21.061 52.884 16.728 1.00 84.86 C ATOM 141 C GLN A 173 22.197 52.093 16.081 1.00 86.98 C ATOM 142 O GLN A 173 22.372 50.906 16.369 1.00 79.00 O ATOM 143 CB GLN A 173 19.874 52.964 15.775 1.00 82.96 C ATOM 144 CG GLN A 173 18.582 53.412 16.427 1.00 78.47 C ATOM 145 CD GLN A 173 17.392 53.174 15.530 1.00 93.90 C ATOM 146 OE1 GLN A 173 17.350 52.189 14.792 1.00 98.15 O ATOM 147 NE2 GLN A 173 16.418 54.078 15.580 1.00 88.98 N ATOM 148 HE22 GLN A 173 16.498 54.894 16.220 1.00 0.00 H ATOM 149 HE21 GLN A 173 15.576 53.969 14.979 1.00 0.00 H ATOM 150 H GLN A 173 21.012 55.042 16.706 1.00 0.00 H ATOM 151 N LEU A 174 22.971 52.742 15.216 1.00 83.10 N ATOM 152 CA LEU A 174 24.032 52.028 14.524 1.00 85.07 C ATOM 153 C LEU A 174 25.120 51.541 15.469 1.00 77.48 C ATOM 154 O LEU A 174 25.558 50.402 15.369 1.00 78.36 O ATOM 155 CB LEU A 174 24.626 52.865 13.405 1.00 82.12 C ATOM 156 CG LEU A 174 24.827 52.052 12.127 1.00 81.32 C ATOM 157 CD1 LEU A 174 24.929 52.991 10.991 1.00 97.64 C ATOM 158 CD2 LEU A 174 26.069 51.213 12.164 1.00 66.09 C ATOM 159 H LEU A 174 22.818 53.755 15.035 1.00 0.00 H ATOM 160 N LYS A 175 25.536 52.392 16.400 1.00 80.51 N ATOM 161 CA LYS A 175 26.548 51.994 17.373 1.00 85.80 C ATOM 162 C LYS A 175 26.021 50.934 18.339 1.00 82.95 C ATOM 163 O LYS A 175 26.790 50.122 18.862 1.00 83.65 O ATOM 164 CB LYS A 175 27.094 53.217 18.109 1.00 81.51 C ATOM 165 CG LYS A 175 28.087 54.018 17.257 1.00 86.99 C ATOM 166 CD LYS A 175 28.423 55.360 17.886 1.00 93.99 C ATOM 167 CE LYS A 175 27.467 56.442 17.414 1.00 87.97 C ATOM 168 NZ LYS A 175 27.684 57.712 18.135 1.00 80.77 N ATOM 169 HZ1 LYS A 175 27.533 57.561 19.153 1.00 0.00 H ATOM 170 HZ2 LYS A 175 28.658 58.040 17.972 1.00 0.00 H ATOM 171 HZ3 LYS A 175 27.014 58.426 17.786 1.00 0.00 H ATOM 172 H LYS A 175 25.137 53.352 16.436 1.00 0.00 H ATOM 173 N ASP A 176 24.704 50.936 18.541 1.00 79.96 N ATOM 174 CA ASP A 176 24.028 49.939 19.362 1.00 77.96 C ATOM 175 C ASP A 176 23.911 48.621 18.606 1.00 76.34 C ATOM 176 O ASP A 176 24.097 47.558 19.189 1.00 74.40 O ATOM 177 CB ASP A 176 22.648 50.449 19.779 1.00 77.93 C ATOM 178 CG ASP A 176 21.873 49.440 20.607 1.00 79.17 C ATOM 179 OD1 ASP A 176 22.179 49.291 21.810 1.00 78.38 O ATOM 180 OD2 ASP A 176 20.943 48.808 20.060 1.00 81.41 O ATOM 181 H ASP A 176 24.133 51.681 18.093 1.00 0.00 H ATOM 182 N ALA A 177 23.626 48.702 17.308 1.00 77.67 N ATOM 183 CA ALA A 177 23.485 47.516 16.461 1.00 78.27 C ATOM 184 C ALA A 177 24.829 46.846 16.181 1.00 78.78 C ATOM 185 O ALA A 177 24.945 45.618 16.214 1.00 78.17 O ATOM 186 CB ALA A 177 22.789 47.877 15.151 1.00 76.94 C ATOM 187 H ALA A 177 23.499 49.641 16.880 1.00 0.00 H ATOM 188 N LEU A 178 25.841 47.661 15.910 1.00 74.44 N ATOM 189 CA LEU A 178 27.176 47.161 15.615 1.00 76.13 C ATOM 190 C LEU A 178 27.767 46.358 16.758 1.00 75.06 C ATOM 191 O LEU A 178 28.266 45.255 16.557 1.00 69.29 O ATOM 192 CB LEU A 178 28.103 48.322 15.318 1.00 80.22 C ATOM 193 CG LEU A 178 28.005 48.870 13.907 1.00 81.67 C ATOM 194 CD1 LEU A 178 28.787 50.156 13.892 1.00 79.22 C ATOM 195 CD2 LEU A 178 28.550 47.856 12.899 1.00 65.80 C ATOM 196 H LEU A 178 25.675 48.688 15.908 1.00 0.00 H ATOM 197 N GLU A 179 27.722 46.921 17.957 1.00 72.55 N ATOM 198 CA GLU A 179 28.299 46.246 19.101 1.00 78.84 C ATOM 199 C GLU A 179 27.366 45.174 19.657 1.00 80.60 C ATOM 200 O GLU A 179 27.751 44.412 20.544 1.00 76.17 O ATOM 201 CB GLU A 179 28.683 47.249 20.183 1.00 78.78 C ATOM 202 CG GLU A 179 27.525 47.792 20.981 1.00 85.07 C ATOM 203 CD GLU A 179 27.995 48.717 22.079 1.00 97.57 C ATOM 204 OE1 GLU A 179 29.066 49.336 21.901 1.00103.79 O ATOM 205 OE2 GLU A 179 27.308 48.818 23.119 1.00102.47 O ATOM 206 H GLU A 179 27.271 47.850 18.077 1.00 0.00 H ATOM 207 N LYS A 180 26.145 45.113 19.135 1.00 73.31 N ATOM 208 CA LYS A 180 25.241 44.025 19.474 1.00 71.75 C ATOM 209 C LYS A 180 25.665 42.751 18.744 1.00 70.42 C ATOM 210 O LYS A 180 25.635 41.656 19.317 1.00 62.40 O ATOM 211 CB LYS A 180 23.798 44.390 19.132 1.00 61.09 C ATOM 212 CG LYS A 180 22.991 44.834 20.335 1.00 69.59 C ATOM 213 CD LYS A 180 21.705 45.540 19.917 1.00 80.22 C ATOM 214 CE LYS A 180 20.737 45.678 21.091 1.00 81.30 C ATOM 215 NZ LYS A 180 21.260 46.521 22.199 1.00 72.06 N ATOM 216 HZ1 LYS A 180 22.138 46.102 22.567 1.00 0.00 H ATOM 217 HZ2 LYS A 180 21.455 47.478 21.842 1.00 0.00 H ATOM 218 HZ3 LYS A 180 20.552 46.570 22.959 1.00 0.00 H ATOM 219 H LYS A 180 25.832 45.853 18.475 1.00 0.00 H ATOM 220 N ASN A 181 26.060 42.905 17.482 1.00 65.29 N ATOM 221 CA ASN A 181 26.560 41.797 16.682 1.00 62.68 C ATOM 222 C ASN A 181 27.895 41.308 17.217 1.00 72.30 C ATOM 223 O ASN A 181 28.233 40.124 17.099 1.00 58.92 O ATOM 224 CB ASN A 181 26.734 42.231 15.233 1.00 64.46 C ATOM 225 CG ASN A 181 25.415 42.400 14.520 1.00 68.75 C ATOM 226 OD1 ASN A 181 24.349 42.336 15.135 1.00 59.44 O ATOM 227 ND2 ASN A 181 25.475 42.616 13.215 1.00 66.25 N ATOM 228 HD22 ASN A 181 26.398 42.662 12.737 1.00 0.00 H ATOM 229 HD21 ASN A 181 24.599 42.739 12.668 1.00 0.00 H ATOM 230 H ASN A 181 26.009 43.851 17.053 1.00 0.00 H ATOM 231 N GLN A 182 28.654 42.240 17.793 1.00 66.48 N ATOM 232 CA GLN A 182 29.942 41.931 18.389 1.00 69.13 C ATOM 233 C GLN A 182 29.697 41.142 19.669 1.00 63.20 C ATOM 234 O GLN A 182 30.468 40.251 20.014 1.00 65.11 O ATOM 235 CB GLN A 182 30.710 43.221 18.685 1.00 71.07 C ATOM 236 CG GLN A 182 32.215 43.042 18.832 1.00 74.59 C ATOM 237 CD GLN A 182 32.907 42.734 17.518 1.00 77.07 C ATOM 238 OE1 GLN A 182 32.419 43.083 16.450 1.00 77.94 O ATOM 239 NE2 GLN A 182 34.054 42.080 17.596 1.00 73.91 N ATOM 240 HE22 GLN A 182 34.432 41.803 18.524 1.00 0.00 H ATOM 241 HE21 GLN A 182 34.578 41.843 16.729 1.00 0.00 H ATOM 242 H GLN A 182 28.312 43.222 17.816 1.00 0.00 H ATOM 243 N GLN A 183 28.602 41.466 20.353 1.00 57.09 N ATOM 244 CA GLN A 183 28.180 40.724 21.524 1.00 55.39 C ATOM 245 C GLN A 183 27.752 39.315 21.137 1.00 61.78 C ATOM 246 O GLN A 183 27.976 38.366 21.887 1.00 51.11 O ATOM 247 CB GLN A 183 27.019 41.429 22.208 1.00 64.21 C ATOM 248 CG GLN A 183 27.410 42.642 23.032 1.00 67.75 C ATOM 249 CD GLN A 183 26.208 43.429 23.500 1.00 70.02 C ATOM 250 OE1 GLN A 183 25.060 43.066 23.228 1.00 66.48 O ATOM 251 NE2 GLN A 183 26.463 44.515 24.206 1.00 73.05 N ATOM 252 HE22 GLN A 183 27.447 44.783 24.411 1.00 0.00 H ATOM 253 HE21 GLN A 183 25.680 45.103 24.557 1.00 0.00 H ATOM 254 H GLN A 183 28.032 42.276 20.037 1.00 0.00 H ATOM 255 N TRP A 184 27.118 39.193 19.975 1.00 61.55 N ATOM 256 CA TRP A 184 26.721 37.896 19.450 1.00 56.69 C ATOM 257 C TRP A 184 27.909 36.979 19.240 1.00 54.35 C ATOM 258 O TRP A 184 27.830 35.793 19.538 1.00 51.61 O ATOM 259 CB TRP A 184 25.959 38.049 18.135 1.00 55.06 C ATOM 260 CG TRP A 184 24.514 38.218 18.374 1.00 61.70 C ATOM 261 CD1 TRP A 184 23.758 39.313 18.076 1.00 58.06 C ATOM 262 CD2 TRP A 184 23.635 37.282 19.014 1.00 62.93 C ATOM 263 NE1 TRP A 184 22.460 39.113 18.483 1.00 66.51 N ATOM 264 CE2 TRP A 184 22.358 37.873 19.055 1.00 66.05 C ATOM 265 CE3 TRP A 184 23.801 36.000 19.545 1.00 58.35 C ATOM 266 CZ2 TRP A 184 21.254 37.223 19.606 1.00 63.89 C ATOM 267 CZ3 TRP A 184 22.699 35.359 20.094 1.00 54.49 C ATOM 268 CH2 TRP A 184 21.447 35.971 20.121 1.00 59.83 C ATOM 269 HE1 TRP A 184 21.681 39.794 18.374 1.00 0.00 H ATOM 270 H TRP A 184 26.900 40.049 19.426 1.00 0.00 H ATOM 271 N LEU A 185 28.999 37.533 18.715 1.00 50.63 N ATOM 272 CA LEU A 185 30.195 36.754 18.437 1.00 53.48 C ATOM 273 C LEU A 185 30.731 36.103 19.707 1.00 53.86 C ATOM 274 O LEU A 185 30.961 34.892 19.743 1.00 49.61 O ATOM 275 CB LEU A 185 31.263 37.631 17.798 1.00 50.46 C ATOM 276 CG LEU A 185 32.659 37.008 17.733 1.00 52.60 C ATOM 277 CD1 LEU A 185 32.698 35.793 16.814 1.00 45.17 C ATOM 278 CD2 LEU A 185 33.694 38.046 17.315 1.00 53.94 C ATOM 279 H LEU A 185 28.995 38.550 18.498 1.00 0.00 H ATOM 280 N VAL A 186 30.905 36.916 20.743 1.00 46.13 N ATOM 281 CA VAL A 186 31.375 36.452 22.045 1.00 57.71 C ATOM 282 C VAL A 186 30.420 35.413 22.644 1.00 56.77 C ATOM 283 O VAL A 186 30.844 34.329 23.060 1.00 52.04 O ATOM 284 CB VAL A 186 31.533 37.643 23.034 1.00 54.01 C ATOM 285 CG1 VAL A 186 31.990 37.163 24.397 1.00 55.42 C ATOM 286 CG2 VAL A 186 32.513 38.682 22.473 1.00 57.08 C ATOM 287 H VAL A 186 30.697 37.928 20.621 1.00 0.00 H ATOM 288 N TYR A 187 29.136 35.759 22.680 1.00 46.79 N ATOM 289 CA TYR A 187 28.082 34.865 23.154 1.00 52.61 C ATOM 290 C TYR A 187 28.147 33.491 22.485 1.00 51.16 C ATOM 291 O TYR A 187 28.078 32.462 23.160 1.00 46.22 O ATOM 292 CB TYR A 187 26.733 35.501 22.839 1.00 47.18 C ATOM 293 CG TYR A 187 25.516 34.745 23.317 1.00 45.96 C ATOM 294 CD1 TYR A 187 25.102 34.837 24.626 1.00 40.87 C ATOM 295 CD2 TYR A 187 24.750 33.983 22.445 1.00 47.35 C ATOM 296 CE1 TYR A 187 23.983 34.178 25.074 1.00 48.35 C ATOM 297 CE2 TYR A 187 23.614 33.315 22.890 1.00 41.85 C ATOM 298 CZ TYR A 187 23.242 33.419 24.207 1.00 44.26 C ATOM 299 OH TYR A 187 22.131 32.776 24.684 1.00 47.69 O ATOM 300 HH TYR A 187 21.331 33.094 24.195 1.00 0.00 H ATOM 301 H TYR A 187 28.870 36.711 22.356 1.00 0.00 H ATOM 302 N ASP A 188 28.269 33.489 21.158 1.00 51.31 N ATOM 303 CA ASP A 188 28.231 32.253 20.388 1.00 45.72 C ATOM 304 C ASP A 188 29.496 31.434 20.560 1.00 44.25 C ATOM 305 O ASP A 188 29.451 30.202 20.517 1.00 42.31 O ATOM 306 CB ASP A 188 27.991 32.514 18.902 1.00 36.85 C ATOM 307 CG ASP A 188 27.636 31.230 18.151 1.00 48.18 C ATOM 308 OD1 ASP A 188 26.612 30.611 18.519 1.00 38.65 O ATOM 309 OD2 ASP A 188 28.379 30.823 17.224 1.00 43.47 O ATOM 310 H ASP A 188 28.395 34.393 20.659 1.00 0.00 H ATOM 311 N GLN A 189 30.622 32.118 20.741 1.00 50.10 N ATOM 312 CA GLN A 189 31.892 31.452 20.993 1.00 51.79 C ATOM 313 C GLN A 189 31.809 30.659 22.292 1.00 43.16 C ATOM 314 O GLN A 189 32.307 29.536 22.375 1.00 46.24 O ATOM 315 CB GLN A 189 33.038 32.465 21.051 1.00 48.38 C ATOM 316 CG GLN A 189 33.478 32.953 19.683 1.00 51.04 C ATOM 317 CD GLN A 189 34.650 33.915 19.744 1.00 51.48 C ATOM 318 OE1 GLN A 189 35.570 33.837 18.931 1.00 54.48 O ATOM 319 NE2 GLN A 189 34.611 34.837 20.692 1.00 39.90 N ATOM 320 HE22 GLN A 189 33.813 34.865 21.358 1.00 0.00 H ATOM 321 HE21 GLN A 189 35.379 35.534 20.771 1.00 0.00 H ATOM 322 H GLN A 189 30.595 33.157 20.701 1.00 0.00 H ATOM 323 N GLN A 190 31.157 31.236 23.295 1.00 43.21 N ATOM 324 CA GLN A 190 30.972 30.546 24.559 1.00 44.56 C ATOM 325 C GLN A 190 30.003 29.367 24.436 1.00 46.81 C ATOM 326 O GLN A 190 30.152 28.354 25.131 1.00 39.17 O ATOM 327 CB GLN A 190 30.481 31.527 25.610 1.00 47.50 C ATOM 328 CG GLN A 190 31.515 32.574 25.973 1.00 51.65 C ATOM 329 CD GLN A 190 31.088 33.405 27.162 1.00 52.71 C ATOM 330 OE1 GLN A 190 30.272 32.972 27.976 1.00 50.75 O ATOM 331 NE2 GLN A 190 31.637 34.605 27.269 1.00 52.98 N ATOM 332 HE22 GLN A 190 32.322 34.929 26.557 1.00 0.00 H ATOM 333 HE21 GLN A 190 31.383 35.224 28.065 1.00 0.00 H ATOM 334 H GLN A 190 30.774 32.195 23.173 1.00 0.00 H ATOM 335 N ARG A 191 29.011 29.491 23.556 1.00 42.05 N ATOM 336 CA ARG A 191 28.094 28.385 23.329 1.00 42.02 C ATOM 337 C ARG A 191 28.826 27.203 22.707 1.00 38.15 C ATOM 338 O ARG A 191 28.584 26.059 23.078 1.00 39.39 O ATOM 339 CB ARG A 191 26.918 28.816 22.457 1.00 39.39 C ATOM 340 CG ARG A 191 26.053 27.659 21.987 1.00 42.50 C ATOM 341 CD ARG A 191 24.633 28.104 21.639 1.00 44.25 C ATOM 342 NE ARG A 191 24.666 29.173 20.653 1.00 40.97 N ATOM 343 CZ ARG A 191 23.710 30.083 20.502 1.00 46.46 C ATOM 344 NH1 ARG A 191 22.620 30.056 21.261 1.00 49.84 N ATOM 345 NH2 ARG A 191 23.849 31.028 19.584 1.00 47.53 N ATOM 346 HE ARG A 191 25.493 29.229 20.025 1.00 0.00 H ATOM 347 HH12 ARG A 191 21.879 30.774 21.133 1.00 0.00 H ATOM 348 HH11 ARG A 191 22.508 29.317 21.984 1.00 0.00 H ATOM 349 HH22 ARG A 191 23.106 31.745 19.459 1.00 0.00 H ATOM 350 HH21 ARG A 191 24.701 31.053 18.989 1.00 0.00 H ATOM 351 H ARG A 191 28.892 30.380 23.030 1.00 0.00 H ATOM 352 N GLU A 192 29.733 27.485 21.782 1.00 36.17 N ATOM 353 CA GLU A 192 30.530 26.439 21.163 1.00 37.77 C ATOM 354 C GLU A 192 31.323 25.674 22.209 1.00 43.01 C ATOM 355 O GLU A 192 31.386 24.441 22.168 1.00 37.82 O ATOM 356 CB GLU A 192 31.460 27.015 20.100 1.00 31.28 C ATOM 357 CG GLU A 192 30.757 27.390 18.791 1.00 43.40 C ATOM 358 CD GLU A 192 29.886 26.266 18.237 1.00 48.71 C ATOM 359 OE1 GLU A 192 30.390 25.130 18.068 1.00 43.40 O ATOM 360 OE2 GLU A 192 28.698 26.525 17.954 1.00 41.36 O ATOM 361 H GLU A 192 29.877 28.474 21.494 1.00 0.00 H ATOM 362 N VAL A 193 31.903 26.403 23.163 1.00 42.48 N ATOM 363 CA VAL A 193 32.651 25.772 24.245 1.00 36.76 C ATOM 364 C VAL A 193 31.733 24.857 25.041 1.00 34.94 C ATOM 365 O VAL A 193 32.080 23.712 25.343 1.00 36.43 O ATOM 366 CB VAL A 193 33.255 26.834 25.152 1.00 38.71 C ATOM 367 CG1 VAL A 193 33.715 26.240 26.479 1.00 36.69 C ATOM 368 CG2 VAL A 193 34.380 27.581 24.403 1.00 33.44 C ATOM 369 H VAL A 193 31.821 27.439 23.135 1.00 0.00 H ATOM 370 N TYR A 194 30.544 25.351 25.357 1.00 35.34 N ATOM 371 CA TYR A 194 29.612 24.584 26.160 1.00 36.76 C ATOM 372 C TYR A 194 29.182 23.342 25.393 1.00 37.67 C ATOM 373 O TYR A 194 29.058 22.246 25.942 1.00 41.26 O ATOM 374 CB TYR A 194 28.392 25.437 26.491 1.00 35.68 C ATOM 375 CG TYR A 194 27.391 24.710 27.352 1.00 34.74 C ATOM 376 CD1 TYR A 194 27.690 24.372 28.663 1.00 34.58 C ATOM 377 CD2 TYR A 194 26.157 24.334 26.850 1.00 33.02 C ATOM 378 CE1 TYR A 194 26.766 23.674 29.465 1.00 37.46 C ATOM 379 CE2 TYR A 194 25.232 23.652 27.649 1.00 37.58 C ATOM 380 CZ TYR A 194 25.543 23.320 28.949 1.00 32.05 C ATOM 381 OH TYR A 194 24.624 22.639 29.723 1.00 46.14 O ATOM 382 HH TYR A 194 25.005 22.481 30.623 1.00 0.00 H ATOM 383 H TYR A 194 30.277 26.300 25.025 1.00 0.00 H ATOM 384 N VAL A 195 28.969 23.530 24.103 1.00 40.60 N ATOM 385 CA VAL A 195 28.448 22.488 23.237 1.00 37.07 C ATOM 386 C VAL A 195 29.465 21.344 22.977 1.00 41.10 C ATOM 387 O VAL A 195 29.092 20.165 22.977 1.00 35.98 O ATOM 388 CB VAL A 195 27.896 23.162 21.963 1.00 43.24 C ATOM 389 CG1 VAL A 195 28.535 22.649 20.718 1.00 39.02 C ATOM 390 CG2 VAL A 195 26.357 23.109 21.939 1.00 46.55 C ATOM 391 H VAL A 195 29.183 24.461 23.692 1.00 0.00 H ATOM 392 N LYS A 196 30.744 21.681 22.797 1.00 33.01 N ATOM 393 CA LYS A 196 31.777 20.667 22.659 1.00 41.37 C ATOM 394 C LYS A 196 31.971 19.919 23.981 1.00 39.46 C ATOM 395 O LYS A 196 32.358 18.759 23.987 1.00 42.84 O ATOM 396 CB LYS A 196 33.090 21.295 22.180 1.00 45.03 C ATOM 397 CG LYS A 196 32.997 21.926 20.783 1.00 47.06 C ATOM 398 CD LYS A 196 32.413 20.926 19.774 1.00 44.47 C ATOM 399 CE LYS A 196 32.184 21.552 18.392 1.00 49.91 C ATOM 400 NZ LYS A 196 31.510 20.611 17.440 1.00 44.56 N ATOM 401 HZ1 LYS A 196 32.101 19.764 17.315 1.00 0.00 H ATOM 402 HZ2 LYS A 196 30.584 20.335 17.825 1.00 0.00 H ATOM 403 HZ3 LYS A 196 31.379 21.083 16.522 1.00 0.00 H ATOM 404 H LYS A 196 31.006 22.686 22.755 1.00 0.00 H ATOM 405 N GLY A 197 31.683 20.581 25.099 1.00 35.98 N ATOM 406 CA GLY A 197 31.731 19.926 26.393 1.00 36.89 C ATOM 407 C GLY A 197 30.632 18.883 26.494 1.00 39.85 C ATOM 408 O GLY A 197 30.887 17.737 26.865 1.00 35.60 O ATOM 409 H GLY A 197 31.419 21.585 25.044 1.00 0.00 H ATOM 410 N LEU A 198 29.409 19.287 26.168 1.00 36.80 N ATOM 411 CA LEU A 198 28.283 18.364 26.127 1.00 43.93 C ATOM 412 C LEU A 198 28.520 17.148 25.231 1.00 43.57 C ATOM 413 O LEU A 198 28.121 16.047 25.590 1.00 44.34 O ATOM 414 CB LEU A 198 27.021 19.085 25.674 1.00 34.99 C ATOM 415 CG LEU A 198 26.473 20.210 26.553 1.00 40.80 C ATOM 416 CD1 LEU A 198 25.065 20.570 26.085 1.00 33.44 C ATOM 417 CD2 LEU A 198 26.502 19.841 28.032 1.00 36.41 C ATOM 418 H LEU A 198 29.252 20.288 25.936 1.00 0.00 H ATOM 419 N LEU A 199 29.156 17.352 24.075 1.00 39.62 N ATOM 420 CA LEU A 199 29.483 16.252 23.156 1.00 44.45 C ATOM 421 C LEU A 199 30.495 15.284 23.746 1.00 43.10 C ATOM 422 O LEU A 199 30.426 14.085 23.485 1.00 48.51 O ATOM 423 CB LEU A 199 30.027 16.781 21.830 1.00 39.16 C ATOM 424 CG LEU A 199 29.015 17.393 20.867 1.00 41.87 C ATOM 425 CD1 LEU A 199 29.707 17.750 19.567 1.00 43.39 C ATOM 426 CD2 LEU A 199 27.845 16.443 20.625 1.00 41.47 C ATOM 427 H LEU A 199 29.429 18.321 23.816 1.00 0.00 H ATOM 428 N ALA A 200 31.437 15.816 24.525 1.00 41.98 N ATOM 429 CA ALA A 200 32.412 15.002 25.238 1.00 42.34 C ATOM 430 C ALA A 200 31.733 14.208 26.352 1.00 45.18 C ATOM 431 O ALA A 200 32.125 13.077 26.647 1.00 48.13 O ATOM 432 CB ALA A 200 33.523 15.875 25.798 1.00 39.74 C ATOM 433 H ALA A 200 31.477 16.850 24.627 1.00 0.00 H ATOM 434 N LYS A 201 30.700 14.801 26.943 1.00 46.17 N ATOM 435 CA LYS A 201 29.961 14.190 28.035 1.00 42.83 C ATOM 436 C LYS A 201 29.066 13.082 27.505 1.00 42.88 C ATOM 437 O LYS A 201 28.933 12.029 28.127 1.00 42.24 O ATOM 438 CB LYS A 201 29.116 15.249 28.729 1.00 38.82 C ATOM 439 CG LYS A 201 28.437 14.788 30.003 1.00 33.17 C ATOM 440 CD LYS A 201 27.879 16.003 30.743 1.00 37.44 C ATOM 441 CE LYS A 201 27.253 15.644 32.076 1.00 33.35 C ATOM 442 NZ LYS A 201 26.593 16.828 32.688 1.00 45.20 N ATOM 443 HZ1 LYS A 201 27.299 17.577 32.840 1.00 0.00 H ATOM 444 HZ2 LYS A 201 25.848 17.176 32.051 1.00 0.00 H ATOM 445 HZ3 LYS A 201 26.172 16.556 33.599 1.00 0.00 H ATOM 446 H LYS A 201 30.409 15.742 26.610 1.00 0.00 H ATOM 447 N ILE A 202 28.446 13.330 26.359 1.00 41.38 N ATOM 448 CA ILE A 202 27.653 12.308 25.691 1.00 51.15 C ATOM 449 C ILE A 202 28.502 11.108 25.296 1.00 42.75 C ATOM 450 O ILE A 202 28.093 9.969 25.487 1.00 50.18 O ATOM 451 CB ILE A 202 26.964 12.874 24.453 1.00 48.33 C ATOM 452 CG1 ILE A 202 25.897 13.870 24.890 1.00 44.47 C ATOM 453 CG2 ILE A 202 26.350 11.753 23.607 1.00 49.96 C ATOM 454 CD1 ILE A 202 25.305 14.681 23.769 1.00 45.18 C ATOM 455 H ILE A 202 28.528 14.273 25.929 1.00 0.00 H ATOM 456 N PHE A 203 29.686 11.374 24.759 1.00 46.01 N ATOM 457 CA PHE A 203 30.603 10.319 24.347 1.00 48.95 C ATOM 458 C PHE A 203 30.995 9.397 25.505 1.00 51.67 C ATOM 459 O PHE A 203 31.159 8.188 25.313 1.00 55.73 O ATOM 460 CB PHE A 203 31.851 10.933 23.706 1.00 48.00 C ATOM 461 CG PHE A 203 32.842 9.913 23.227 1.00 61.41 C ATOM 462 CD1 PHE A 203 32.749 9.389 21.944 1.00 50.41 C ATOM 463 CD2 PHE A 203 33.858 9.460 24.062 1.00 55.03 C ATOM 464 CE1 PHE A 203 33.654 8.438 21.503 1.00 54.90 C ATOM 465 CE2 PHE A 203 34.766 8.504 23.618 1.00 61.83 C ATOM 466 CZ PHE A 203 34.662 7.995 22.337 1.00 53.14 C ATOM 467 H PHE A 203 29.968 12.366 24.628 1.00 0.00 H ATOM 468 N GLU A 204 31.147 9.969 26.699 1.00 45.71 N ATOM 469 CA GLU A 204 31.494 9.197 27.891 1.00 46.75 C ATOM 470 C GLU A 204 30.290 8.485 28.488 1.00 48.63 C ATOM 471 O GLU A 204 30.433 7.430 29.100 1.00 55.07 O ATOM 472 CB GLU A 204 32.119 10.092 28.959 1.00 40.40 C ATOM 473 CG GLU A 204 33.399 10.782 28.528 1.00 48.45 C ATOM 474 CD GLU A 204 34.495 9.812 28.112 1.00 49.27 C ATOM 475 OE1 GLU A 204 35.280 10.178 27.220 1.00 47.10 O ATOM 476 OE2 GLU A 204 34.584 8.700 28.680 1.00 48.25 O ATOM 477 H GLU A 204 31.015 10.997 26.786 1.00 0.00 H ATOM 478 N LEU A 205 29.107 9.065 28.326 1.00 46.95 N ATOM 479 CA LEU A 205 27.892 8.420 28.812 1.00 53.04 C ATOM 480 C LEU A 205 27.511 7.245 27.921 1.00 53.64 C ATOM 481 O LEU A 205 27.060 6.216 28.408 1.00 51.84 O ATOM 482 CB LEU A 205 26.737 9.413 28.897 1.00 40.70 C ATOM 483 CG LEU A 205 26.704 10.297 30.145 1.00 50.54 C ATOM 484 CD1 LEU A 205 25.737 11.450 29.953 1.00 44.97 C ATOM 485 CD2 LEU A 205 26.349 9.474 31.390 1.00 41.69 C ATOM 486 H LEU A 205 29.046 9.987 27.849 1.00 0.00 H ATOM 487 N GLU A 206 27.696 7.407 26.617 1.00 50.39 N ATOM 488 CA GLU A 206 27.422 6.338 25.671 1.00 58.56 C ATOM 489 C GLU A 206 28.394 5.196 25.910 1.00 65.31 C ATOM 490 O GLU A 206 28.017 4.029 25.863 1.00 68.96 O ATOM 491 CB GLU A 206 27.528 6.849 24.238 1.00 48.62 C ATOM 492 CG GLU A 206 26.338 7.700 23.846 1.00 53.02 C ATOM 493 CD GLU A 206 26.464 8.271 22.463 1.00 53.13 C ATOM 494 OE1 GLU A 206 27.604 8.370 21.963 1.00 66.12 O ATOM 495 OE2 GLU A 206 25.425 8.623 21.875 1.00 64.86 O ATOM 496 H GLU A 206 28.045 8.321 26.263 1.00 0.00 H ATOM 497 N LYS A 207 29.640 5.545 26.191 1.00 61.24 N ATOM 498 CA LYS A 207 30.653 4.565 26.520 1.00 60.87 C ATOM 499 C LYS A 207 30.292 3.843 27.806 1.00 71.12 C ATOM 500 O LYS A 207 30.560 2.652 27.949 1.00 72.77 O ATOM 501 CB LYS A 207 32.002 5.251 26.685 1.00 63.93 C ATOM 502 CG LYS A 207 33.122 4.320 27.087 1.00 73.50 C ATOM 503 CD LYS A 207 34.403 5.093 27.301 1.00 71.74 C ATOM 504 CE LYS A 207 34.840 5.781 26.023 1.00 70.63 C ATOM 505 NZ LYS A 207 35.457 4.831 25.055 1.00 80.07 N ATOM 506 HZ1 LYS A 207 36.294 4.391 25.488 1.00 0.00 H ATOM 507 HZ2 LYS A 207 34.766 4.094 24.806 1.00 0.00 H ATOM 508 HZ3 LYS A 207 35.740 5.347 24.197 1.00 0.00 H ATOM 509 H LYS A 207 29.898 6.552 26.175 1.00 0.00 H ATOM 510 N LYS A 208 29.677 4.562 28.739 1.00 64.87 N ATOM 511 CA LYS A 208 29.364 3.977 30.032 1.00 68.85 C ATOM 512 C LYS A 208 28.138 3.073 29.951 1.00 76.13 C ATOM 513 O LYS A 208 28.070 2.056 30.637 1.00 83.52 O ATOM 514 CB LYS A 208 29.168 5.058 31.094 1.00 62.64 C ATOM 515 CG LYS A 208 29.444 4.571 32.504 1.00 66.22 C ATOM 516 CD LYS A 208 28.885 5.516 33.554 1.00 66.77 C ATOM 517 CE LYS A 208 27.374 5.391 33.656 1.00 80.32 C ATOM 518 NZ LYS A 208 26.814 6.166 34.809 1.00 69.43 N ATOM 519 HZ1 LYS A 208 27.227 5.813 35.696 1.00 0.00 H ATOM 520 HZ2 LYS A 208 27.047 7.173 34.694 1.00 0.00 H ATOM 521 HZ3 LYS A 208 25.781 6.048 34.835 1.00 0.00 H ATOM 522 H LYS A 208 29.418 5.550 28.543 1.00 0.00 H ATOM 523 N THR A 209 27.181 3.438 29.102 1.00 74.53 N ATOM 524 CA THR A 209 25.965 2.650 28.940 1.00 85.39 C ATOM 525 C THR A 209 26.185 1.433 28.037 1.00 89.60 C ATOM 526 O THR A 209 25.307 0.578 27.918 1.00 97.60 O ATOM 527 CB THR A 209 24.785 3.499 28.394 1.00 84.90 C ATOM 528 OG1 THR A 209 25.121 4.032 27.105 1.00 78.31 O ATOM 529 CG2 THR A 209 24.442 4.644 29.354 1.00 71.51 C ATOM 530 HG1 THR A 209 25.925 4.604 27.185 1.00 0.00 H ATOM 531 H THR A 209 27.303 4.305 28.541 1.00 0.00 H ATOM 532 N GLU A 210 27.354 1.352 27.407 1.00 84.68 N ATOM 533 CA GLU A 210 27.695 0.187 26.596 1.00 86.76 C ATOM 534 C GLU A 210 28.258 -0.943 27.455 1.00 98.62 C ATOM 535 O GLU A 210 28.018 -2.119 27.178 1.00104.12 O ATOM 536 CB GLU A 210 28.695 0.557 25.509 1.00 83.29 C ATOM 537 CG GLU A 210 28.091 1.336 24.363 1.00 85.69 C ATOM 538 CD GLU A 210 29.153 1.977 23.493 1.00 98.28 C ATOM 539 OE1 GLU A 210 30.284 1.439 23.450 1.00 90.15 O ATOM 540 OE2 GLU A 210 28.859 3.022 22.864 1.00 94.41 O ATOM 541 H GLU A 210 28.037 2.132 27.494 1.00 0.00 H ATOM 542 N THR A 211 29.002 -0.584 28.498 1.00101.66 N ATOM 543 CA THR A 211 29.603 -1.579 29.381 1.00 99.86 C ATOM 544 C THR A 211 28.590 -2.093 30.402 1.00 93.20 C ATOM 545 O THR A 211 27.499 -2.529 30.037 1.00 94.25 O ATOM 546 CB THR A 211 30.844 -1.025 30.121 1.00 98.70 C ATOM 547 OG1 THR A 211 31.648 -0.252 29.218 1.00 88.96 O ATOM 548 CG2 THR A 211 31.677 -2.172 30.697 1.00104.61 C ATOM 549 HG1 THR A 211 31.113 0.503 28.866 1.00 0.00 H ATOM 550 H THR A 211 29.159 0.426 28.688 1.00 0.00 H TER 551 THR A 211 ATOM 552 N HIS B 168 22.790 58.329 1.746 1.00103.11 N ATOM 553 CA HIS B 168 23.599 58.490 2.947 1.00103.95 C ATOM 554 C HIS B 168 24.226 57.144 3.315 1.00110.29 C ATOM 555 O HIS B 168 23.534 56.130 3.391 1.00104.98 O ATOM 556 CB HIS B 168 22.741 59.045 4.094 1.00102.33 C ATOM 557 CG HIS B 168 23.525 59.731 5.173 1.00108.45 C ATOM 558 ND1 HIS B 168 22.927 60.467 6.174 1.00103.53 N ATOM 559 CD2 HIS B 168 24.859 59.789 5.411 1.00 99.30 C ATOM 560 CE1 HIS B 168 23.855 60.948 6.983 1.00 96.74 C ATOM 561 NE2 HIS B 168 25.036 60.551 6.541 1.00100.66 N ATOM 562 HN3 HIS B 168 22.040 57.631 1.926 1.00 0.00 H ATOM 563 HN2 HIS B 168 23.393 57.999 0.965 1.00 0.00 H ATOM 564 HN1 HIS B 168 22.362 59.242 1.493 1.00 0.00 H ATOM 565 N GLU B 169 25.540 57.140 3.530 1.00112.62 N ATOM 566 CA GLU B 169 26.292 55.904 3.761 1.00106.56 C ATOM 567 C GLU B 169 26.056 55.272 5.138 1.00104.07 C ATOM 568 O GLU B 169 26.110 54.049 5.281 1.00 98.47 O ATOM 569 CB GLU B 169 27.785 56.149 3.533 1.00107.66 C ATOM 570 CG GLU B 169 28.224 57.576 3.835 1.00112.31 C ATOM 571 CD GLU B 169 29.673 57.828 3.477 1.00109.67 C ATOM 572 OE1 GLU B 169 30.514 56.952 3.768 1.00109.91 O ATOM 573 OE2 GLU B 169 29.969 58.897 2.898 1.00 99.48 O ATOM 574 H GLU B 169 26.050 58.046 3.534 1.00 0.00 H ATOM 575 N MET B 170 25.801 56.110 6.141 1.00106.08 N ATOM 576 CA MET B 170 25.515 55.643 7.493 1.00101.91 C ATOM 577 C MET B 170 24.135 54.984 7.532 1.00109.18 C ATOM 578 O MET B 170 23.899 54.056 8.304 1.00105.51 O ATOM 579 CB MET B 170 25.573 56.809 8.483 1.00 98.30 C ATOM 580 CG MET B 170 26.088 56.439 9.864 1.00101.87 C ATOM 581 SD MET B 170 25.028 57.051 11.192 1.00 98.89 S ATOM 582 CE MET B 170 23.516 56.197 10.799 1.00 92.98 C ATOM 583 H MET B 170 25.806 57.133 5.954 1.00 0.00 H ATOM 584 N GLU B 171 23.229 55.474 6.691 1.00103.88 N ATOM 585 CA GLU B 171 21.902 54.893 6.547 1.00 99.54 C ATOM 586 C GLU B 171 22.002 53.449 6.053 1.00103.16 C ATOM 587 O GLU B 171 21.286 52.567 6.534 1.00 97.94 O ATOM 588 CB GLU B 171 21.090 55.721 5.559 1.00100.67 C ATOM 589 CG GLU B 171 19.598 55.652 5.754 1.00103.76 C ATOM 590 CD GLU B 171 18.922 56.930 5.306 1.00111.18 C ATOM 591 OE1 GLU B 171 18.024 56.869 4.440 1.00103.21 O ATOM 592 OE2 GLU B 171 19.292 58.002 5.829 1.00105.25 O ATOM 593 H GLU B 171 23.478 56.303 6.115 1.00 0.00 H ATOM 594 N ILE B 172 22.910 53.216 5.104 1.00 99.06 N ATOM 595 CA ILE B 172 23.091 51.902 4.489 1.00 98.86 C ATOM 596 C ILE B 172 23.615 50.858 5.464 1.00 98.43 C ATOM 597 O ILE B 172 23.001 49.807 5.648 1.00 90.33 O ATOM 598 CB ILE B 172 24.056 51.959 3.287 1.00 93.98 C ATOM 599 CG1 ILE B 172 23.485 52.861 2.193 1.00 95.71 C ATOM 600 CG2 ILE B 172 24.326 50.553 2.750 1.00 86.66 C ATOM 601 CD1 ILE B 172 22.059 52.515 1.808 1.00 88.36 C ATOM 602 H ILE B 172 23.514 54.002 4.789 1.00 0.00 H ATOM 603 N GLN B 173 24.753 51.149 6.083 1.00 96.97 N ATOM 604 CA GLN B 173 25.375 50.198 6.990 1.00 94.61 C ATOM 605 C GLN B 173 24.555 49.953 8.256 1.00 92.06 C ATOM 606 O GLN B 173 24.778 48.961 8.947 1.00 91.26 O ATOM 607 CB GLN B 173 26.807 50.614 7.330 1.00 96.01 C ATOM 608 CG GLN B 173 27.858 49.610 6.860 1.00107.40 C ATOM 609 CD GLN B 173 27.892 49.454 5.348 1.00106.75 C ATOM 610 OE1 GLN B 173 27.081 48.734 4.764 1.00102.94 O ATOM 611 NE2 GLN B 173 28.835 50.134 4.707 1.00 98.23 N ATOM 612 HE22 GLN B 173 29.499 50.730 5.240 1.00 0.00 H ATOM 613 HE21 GLN B 173 28.909 50.070 3.672 1.00 0.00 H ATOM 614 H GLN B 173 25.206 52.070 5.917 1.00 0.00 H ATOM 615 N LEU B 174 23.612 50.847 8.553 1.00 87.55 N ATOM 616 CA LEU B 174 22.652 50.605 9.627 1.00 87.34 C ATOM 617 C LEU B 174 21.741 49.473 9.219 1.00 88.94 C ATOM 618 O LEU B 174 21.352 48.648 10.045 1.00 89.22 O ATOM 619 CB LEU B 174 21.804 51.842 9.924 1.00 93.92 C ATOM 620 CG LEU B 174 20.732 51.668 11.011 1.00 90.20 C ATOM 621 CD1 LEU B 174 21.311 51.109 12.308 1.00 84.50 C ATOM 622 CD2 LEU B 174 20.013 52.982 11.275 1.00 90.17 C ATOM 623 H LEU B 174 23.559 51.733 8.010 1.00 0.00 H ATOM 624 N LYS B 175 21.404 49.428 7.935 1.00 90.53 N ATOM 625 CA LYS B 175 20.564 48.355 7.434 1.00 89.96 C ATOM 626 C LYS B 175 21.325 47.023 7.380 1.00 85.59 C ATOM 627 O LYS B 175 20.769 45.982 7.734 1.00 81.11 O ATOM 628 CB LYS B 175 19.937 48.724 6.088 1.00 82.62 C ATOM 629 CG LYS B 175 18.893 49.826 6.210 1.00 93.05 C ATOM 630 CD LYS B 175 18.476 50.339 4.852 1.00103.53 C ATOM 631 CE LYS B 175 17.910 51.739 4.957 1.00 98.77 C ATOM 632 NZ LYS B 175 17.962 52.421 3.639 1.00 91.33 N ATOM 633 HZ1 LYS B 175 18.950 52.478 3.318 1.00 0.00 H ATOM 634 HZ2 LYS B 175 17.403 51.881 2.948 1.00 0.00 H ATOM 635 HZ3 LYS B 175 17.570 53.380 3.730 1.00 0.00 H ATOM 636 H LYS B 175 21.744 50.165 7.285 1.00 0.00 H ATOM 637 N ASP B 176 22.593 47.055 6.973 1.00 76.36 N ATOM 638 CA ASP B 176 23.413 45.841 6.960 1.00 85.70 C ATOM 639 C ASP B 176 23.685 45.302 8.359 1.00 80.36 C ATOM 640 O ASP B 176 23.723 44.089 8.570 1.00 79.04 O ATOM 641 CB ASP B 176 24.726 46.089 6.233 1.00 89.54 C ATOM 642 CG ASP B 176 24.537 46.179 4.748 1.00 99.01 C ATOM 643 OD1 ASP B 176 23.770 45.354 4.211 1.00 92.66 O ATOM 644 OD2 ASP B 176 25.127 47.084 4.117 1.00105.12 O ATOM 645 H ASP B 176 23.007 47.956 6.660 1.00 0.00 H ATOM 646 N ALA B 177 23.884 46.211 9.308 1.00 73.96 N ATOM 647 CA ALA B 177 24.042 45.831 10.699 1.00 79.41 C ATOM 648 C ALA B 177 22.784 45.098 11.151 1.00 80.30 C ATOM 649 O ALA B 177 22.869 44.027 11.754 1.00 72.40 O ATOM 650 CB ALA B 177 24.313 47.062 11.580 1.00 73.50 C ATOM 651 H ALA B 177 23.927 47.217 9.048 1.00 0.00 H ATOM 652 N LEU B 178 21.621 45.662 10.829 1.00 74.86 N ATOM 653 CA LEU B 178 20.350 45.070 11.226 1.00 71.63 C ATOM 654 C LEU B 178 20.046 43.774 10.477 1.00 69.36 C ATOM 655 O LEU B 178 19.322 42.919 10.984 1.00 68.30 O ATOM 656 CB LEU B 178 19.204 46.069 11.050 1.00 75.25 C ATOM 657 CG LEU B 178 19.150 47.194 12.085 1.00 78.16 C ATOM 658 CD1 LEU B 178 18.178 48.284 11.652 1.00 67.83 C ATOM 659 CD2 LEU B 178 18.777 46.652 13.457 1.00 72.86 C ATOM 660 H LEU B 178 21.620 46.546 10.281 1.00 0.00 H ATOM 661 N GLU B 179 20.612 43.634 9.282 1.00 64.87 N ATOM 662 CA GLU B 179 20.444 42.425 8.496 1.00 65.20 C ATOM 663 C GLU B 179 21.186 41.258 9.133 1.00 73.38 C ATOM 664 O GLU B 179 20.620 40.178 9.333 1.00 66.82 O ATOM 665 CB GLU B 179 20.967 42.622 7.080 1.00 69.01 C ATOM 666 CG GLU B 179 20.600 41.464 6.169 1.00 78.88 C ATOM 667 CD GLU B 179 21.416 41.408 4.905 1.00 80.43 C ATOM 668 OE1 GLU B 179 21.131 40.532 4.068 1.00 74.68 O ATOM 669 OE2 GLU B 179 22.345 42.224 4.750 1.00 88.20 O ATOM 670 H GLU B 179 21.190 44.410 8.901 1.00 0.00 H ATOM 671 N LYS B 180 22.464 41.478 9.432 1.00 72.54 N ATOM 672 CA LYS B 180 23.282 40.462 10.070 1.00 68.05 C ATOM 673 C LYS B 180 22.669 40.173 11.410 1.00 64.09 C ATOM 674 O LYS B 180 22.500 39.013 11.788 1.00 59.39 O ATOM 675 CB LYS B 180 24.706 40.956 10.249 1.00 63.50 C ATOM 676 CG LYS B 180 25.661 40.337 9.255 1.00 62.29 C ATOM 677 CD LYS B 180 26.328 41.379 8.390 1.00 79.39 C ATOM 678 CE LYS B 180 27.301 40.713 7.433 1.00 78.17 C ATOM 679 NZ LYS B 180 27.790 41.650 6.385 1.00 80.87 N ATOM 680 HZ1 LYS B 180 26.982 42.002 5.832 1.00 0.00 H ATOM 681 HZ2 LYS B 180 28.277 42.450 6.837 1.00 0.00 H ATOM 682 HZ3 LYS B 180 28.451 41.151 5.756 1.00 0.00 H ATOM 683 H LYS B 180 22.887 42.400 9.203 1.00 0.00 H ATOM 684 N ASN B 181 22.308 41.239 12.114 1.00 53.01 N ATOM 685 CA ASN B 181 21.618 41.076 13.384 1.00 63.84 C ATOM 686 C ASN B 181 20.421 40.126 13.264 1.00 69.48 C ATOM 687 O ASN B 181 20.157 39.336 14.166 1.00 65.47 O ATOM 688 CB ASN B 181 21.215 42.418 14.004 1.00 50.68 C ATOM 689 CG ASN B 181 20.767 42.283 15.460 1.00 65.79 C ATOM 690 OD1 ASN B 181 19.611 42.553 15.801 1.00 64.47 O ATOM 691 ND2 ASN B 181 21.682 41.858 16.321 1.00 65.05 N ATOM 692 HD22 ASN B 181 22.645 41.642 15.992 1.00 0.00 H ATOM 693 HD21 ASN B 181 21.437 41.741 17.325 1.00 0.00 H ATOM 694 H ASN B 181 22.519 42.193 11.757 1.00 0.00 H ATOM 695 N GLN B 182 19.715 40.163 12.140 1.00 65.05 N ATOM 696 CA GLN B 182 18.612 39.213 11.960 1.00 69.16 C ATOM 697 C GLN B 182 19.108 37.791 11.674 1.00 67.19 C ATOM 698 O GLN B 182 18.468 36.805 12.058 1.00 69.53 O ATOM 699 CB GLN B 182 17.631 39.674 10.872 1.00 68.46 C ATOM 700 CG GLN B 182 16.277 38.965 10.930 1.00 73.20 C ATOM 701 CD GLN B 182 15.438 39.401 12.117 1.00 88.40 C ATOM 702 OE1 GLN B 182 15.653 40.473 12.689 1.00 80.62 O ATOM 703 NE2 GLN B 182 14.476 38.564 12.499 1.00 84.24 N ATOM 704 HE22 GLN B 182 14.331 37.671 11.987 1.00 0.00 H ATOM 705 HE21 GLN B 182 13.870 38.804 13.309 1.00 0.00 H ATOM 706 H GLN B 182 19.941 40.856 11.398 1.00 0.00 H ATOM 707 N GLN B 183 20.247 37.694 10.999 1.00 62.46 N ATOM 708 CA GLN B 183 20.838 36.406 10.682 1.00 58.05 C ATOM 709 C GLN B 183 21.398 35.700 11.913 1.00 61.53 C ATOM 710 O GLN B 183 21.336 34.476 12.003 1.00 62.55 O ATOM 711 CB GLN B 183 21.912 36.579 9.624 1.00 56.21 C ATOM 712 CG GLN B 183 21.347 37.074 8.306 1.00 71.20 C ATOM 713 CD GLN B 183 22.413 37.266 7.256 1.00 71.48 C ATOM 714 OE1 GLN B 183 23.477 37.823 7.527 1.00 66.04 O ATOM 715 NE2 GLN B 183 22.140 36.793 6.049 1.00 75.38 N ATOM 716 HE22 GLN B 183 21.227 36.330 5.866 1.00 0.00 H ATOM 717 HE21 GLN B 183 22.839 36.885 5.284 1.00 0.00 H ATOM 718 H GLN B 183 20.728 38.562 10.689 1.00 0.00 H ATOM 719 N TRP B 184 21.937 36.469 12.855 1.00 56.17 N ATOM 720 CA TRP B 184 22.360 35.919 14.136 1.00 58.50 C ATOM 721 C TRP B 184 21.146 35.365 14.848 1.00 57.47 C ATOM 722 O TRP B 184 21.189 34.286 15.427 1.00 52.77 O ATOM 723 CB TRP B 184 22.991 37.000 15.018 1.00 51.37 C ATOM 724 CG TRP B 184 24.404 37.304 14.679 1.00 50.24 C ATOM 725 CD1 TRP B 184 24.859 38.355 13.944 1.00 62.54 C ATOM 726 CD2 TRP B 184 25.563 36.547 15.059 1.00 61.68 C ATOM 727 NE1 TRP B 184 26.231 38.303 13.838 1.00 63.80 N ATOM 728 CE2 TRP B 184 26.687 37.201 14.515 1.00 59.03 C ATOM 729 CE3 TRP B 184 25.759 35.378 15.804 1.00 49.37 C ATOM 730 CZ2 TRP B 184 27.987 36.733 14.696 1.00 52.09 C ATOM 731 CZ3 TRP B 184 27.052 34.912 15.979 1.00 54.22 C ATOM 732 CH2 TRP B 184 28.147 35.588 15.428 1.00 58.32 C ATOM 733 HE1 TRP B 184 26.825 38.988 13.328 1.00 0.00 H ATOM 734 H TRP B 184 22.059 37.486 12.673 1.00 0.00 H ATOM 735 N LEU B 185 20.064 36.129 14.805 1.00 55.11 N ATOM 736 CA LEU B 185 18.857 35.801 15.542 1.00 62.10 C ATOM 737 C LEU B 185 18.284 34.442 15.161 1.00 60.35 C ATOM 738 O LEU B 185 17.901 33.662 16.036 1.00 60.93 O ATOM 739 CB LEU B 185 17.808 36.877 15.309 1.00 67.03 C ATOM 740 CG LEU B 185 17.812 38.113 16.213 1.00 68.52 C ATOM 741 CD1 LEU B 185 19.170 38.394 16.912 1.00 69.62 C ATOM 742 CD2 LEU B 185 17.322 39.322 15.404 1.00 71.53 C ATOM 743 H LEU B 185 20.080 36.992 14.224 1.00 0.00 H ATOM 744 N VAL B 186 18.224 34.173 13.861 1.00 54.52 N ATOM 745 CA VAL B 186 17.649 32.935 13.365 1.00 59.38 C ATOM 746 C VAL B 186 18.627 31.799 13.601 1.00 54.24 C ATOM 747 O VAL B 186 18.233 30.696 13.975 1.00 54.79 O ATOM 748 CB VAL B 186 17.331 33.023 11.869 1.00 57.79 C ATOM 749 CG1 VAL B 186 16.748 31.715 11.384 1.00 62.69 C ATOM 750 CG2 VAL B 186 16.368 34.167 11.611 1.00 63.37 C ATOM 751 H VAL B 186 18.598 34.866 13.182 1.00 0.00 H ATOM 752 N TYR B 187 19.906 32.088 13.382 1.00 51.40 N ATOM 753 CA TYR B 187 20.984 31.154 13.664 1.00 52.99 C ATOM 754 C TYR B 187 20.960 30.747 15.132 1.00 48.47 C ATOM 755 O TYR B 187 21.121 29.577 15.450 1.00 41.73 O ATOM 756 CB TYR B 187 22.319 31.800 13.298 1.00 50.09 C ATOM 757 CG TYR B 187 23.570 31.134 13.841 1.00 50.14 C ATOM 758 CD1 TYR B 187 24.140 30.049 13.199 1.00 45.19 C ATOM 759 CD2 TYR B 187 24.205 31.621 14.975 1.00 44.14 C ATOM 760 CE1 TYR B 187 25.304 29.450 13.683 1.00 45.16 C ATOM 761 CE2 TYR B 187 25.371 31.029 15.461 1.00 42.87 C ATOM 762 CZ TYR B 187 25.912 29.946 14.819 1.00 45.87 C ATOM 763 OH TYR B 187 27.065 29.369 15.310 1.00 42.75 O ATOM 764 HH TYR B 187 27.321 28.605 14.735 1.00 0.00 H ATOM 765 H TYR B 187 20.146 33.022 12.992 1.00 0.00 H ATOM 766 N ASP B 188 20.732 31.726 16.005 1.00 46.86 N ATOM 767 CA ASP B 188 20.666 31.519 17.443 1.00 46.31 C ATOM 768 C ASP B 188 19.520 30.587 17.833 1.00 49.54 C ATOM 769 O ASP B 188 19.672 29.759 18.733 1.00 45.69 O ATOM 770 CB ASP B 188 20.506 32.863 18.159 1.00 42.87 C ATOM 771 CG ASP B 188 20.399 32.713 19.656 1.00 41.42 C ATOM 772 OD1 ASP B 188 21.442 32.491 20.300 1.00 47.51 O ATOM 773 OD2 ASP B 188 19.276 32.812 20.196 1.00 47.62 O ATOM 774 H ASP B 188 20.594 32.690 15.639 1.00 0.00 H ATOM 775 N GLN B 189 18.376 30.743 17.170 1.00 49.96 N ATOM 776 CA GLN B 189 17.219 29.887 17.412 1.00 50.61 C ATOM 777 C GLN B 189 17.539 28.439 17.071 1.00 45.87 C ATOM 778 O GLN B 189 17.181 27.528 17.817 1.00 48.43 O ATOM 779 CB GLN B 189 16.036 30.331 16.566 1.00 48.73 C ATOM 780 CG GLN B 189 15.386 31.610 17.028 1.00 70.47 C ATOM 781 CD GLN B 189 14.206 31.996 16.156 1.00 82.31 C ATOM 782 OE1 GLN B 189 14.281 31.946 14.926 1.00 80.04 O ATOM 783 NE2 GLN B 189 13.107 32.379 16.790 1.00 87.07 N ATOM 784 HE22 GLN B 189 13.089 32.406 17.829 1.00 0.00 H ATOM 785 HE21 GLN B 189 12.263 32.653 16.248 1.00 0.00 H ATOM 786 H GLN B 189 18.305 31.498 16.458 1.00 0.00 H ATOM 787 N GLN B 190 18.192 28.244 15.930 1.00 42.09 N ATOM 788 CA GLN B 190 18.631 26.921 15.520 1.00 48.30 C ATOM 789 C GLN B 190 19.610 26.339 16.531 1.00 43.64 C ATOM 790 O GLN B 190 19.463 25.190 16.927 1.00 40.72 O ATOM 791 CB GLN B 190 19.255 26.942 14.122 1.00 43.97 C ATOM 792 CG GLN B 190 19.591 25.541 13.599 1.00 40.74 C ATOM 793 CD GLN B 190 20.252 25.549 12.234 1.00 52.75 C ATOM 794 OE1 GLN B 190 21.446 25.264 12.107 1.00 45.01 O ATOM 795 NE2 GLN B 190 19.474 25.849 11.201 1.00 42.42 N ATOM 796 HE22 GLN B 190 18.472 26.083 11.355 1.00 0.00 H ATOM 797 HE21 GLN B 190 19.866 25.850 10.238 1.00 0.00 H ATOM 798 H GLN B 190 18.394 29.058 15.315 1.00 0.00 H ATOM 799 N ARG B 191 20.585 27.132 16.972 1.00 45.71 N ATOM 800 CA ARG B 191 21.589 26.633 17.919 1.00 49.23 C ATOM 801 C ARG B 191 20.991 26.247 19.277 1.00 45.02 C ATOM 802 O ARG B 191 21.385 25.235 19.868 1.00 39.79 O ATOM 803 CB ARG B 191 22.721 27.642 18.096 1.00 42.52 C ATOM 804 CG ARG B 191 23.479 27.946 16.812 1.00 39.28 C ATOM 805 CD ARG B 191 24.075 26.686 16.208 1.00 44.19 C ATOM 806 NE ARG B 191 25.203 26.193 16.992 1.00 41.47 N ATOM 807 CZ ARG B 191 25.665 24.948 16.945 1.00 43.28 C ATOM 808 NH1 ARG B 191 25.094 24.043 16.149 1.00 42.56 N ATOM 809 NH2 ARG B 191 26.702 24.602 17.702 1.00 35.97 N ATOM 810 HE ARG B 191 25.678 26.862 17.631 1.00 0.00 H ATOM 811 HH12 ARG B 191 25.462 23.071 16.119 1.00 0.00 H ATOM 812 HH11 ARG B 191 24.280 24.309 15.559 1.00 0.00 H ATOM 813 HH22 ARG B 191 27.068 23.629 17.669 1.00 0.00 H ATOM 814 HH21 ARG B 191 27.147 25.304 18.327 1.00 0.00 H ATOM 815 H ARG B 191 20.635 28.117 16.641 1.00 0.00 H ATOM 816 N GLU B 192 20.026 27.031 19.753 1.00 41.60 N ATOM 817 CA GLU B 192 19.373 26.749 21.027 1.00 43.04 C ATOM 818 C GLU B 192 18.577 25.443 20.976 1.00 42.86 C ATOM 819 O GLU B 192 18.576 24.684 21.943 1.00 44.65 O ATOM 820 CB GLU B 192 18.475 27.919 21.457 1.00 43.54 C ATOM 821 CG GLU B 192 19.216 29.075 22.141 1.00 41.87 C ATOM 822 CD GLU B 192 20.040 28.602 23.323 1.00 48.34 C ATOM 823 OE1 GLU B 192 21.271 28.443 23.176 1.00 42.66 O ATOM 824 OE2 GLU B 192 19.456 28.391 24.404 1.00 48.61 O ATOM 825 H GLU B 192 19.731 27.864 19.204 1.00 0.00 H ATOM 826 N VAL B 193 17.906 25.186 19.851 1.00 44.91 N ATOM 827 CA VAL B 193 17.237 23.901 19.629 1.00 43.13 C ATOM 828 C VAL B 193 18.262 22.771 19.698 1.00 42.69 C ATOM 829 O VAL B 193 18.002 21.720 20.279 1.00 45.54 O ATOM 830 CB VAL B 193 16.532 23.867 18.255 1.00 50.04 C ATOM 831 CG1 VAL B 193 16.124 22.425 17.856 1.00 40.79 C ATOM 832 CG2 VAL B 193 15.332 24.821 18.245 1.00 39.21 C ATOM 833 H VAL B 193 17.857 25.917 19.113 1.00 0.00 H ATOM 834 N TYR B 194 19.434 23.008 19.111 1.00 35.72 N ATOM 835 CA TYR B 194 20.518 22.030 19.103 1.00 44.60 C ATOM 836 C TYR B 194 21.081 21.759 20.505 1.00 41.69 C ATOM 837 O TYR B 194 21.307 20.603 20.872 1.00 43.40 O ATOM 838 CB TYR B 194 21.627 22.477 18.154 1.00 36.99 C ATOM 839 CG TYR B 194 22.861 21.606 18.215 1.00 42.90 C ATOM 840 CD1 TYR B 194 22.898 20.372 17.585 1.00 40.31 C ATOM 841 CD2 TYR B 194 23.991 22.018 18.906 1.00 41.62 C ATOM 842 CE1 TYR B 194 24.032 19.567 17.644 1.00 38.75 C ATOM 843 CE2 TYR B 194 25.128 21.215 18.975 1.00 41.24 C ATOM 844 CZ TYR B 194 25.146 19.994 18.345 1.00 43.15 C ATOM 845 OH TYR B 194 26.289 19.215 18.419 1.00 50.04 O ATOM 846 HH TYR B 194 27.050 19.709 18.024 1.00 0.00 H ATOM 847 H TYR B 194 19.582 23.924 18.641 1.00 0.00 H ATOM 848 N VAL B 195 21.296 22.820 21.284 1.00 40.34 N ATOM 849 CA VAL B 195 21.771 22.676 22.653 1.00 35.44 C ATOM 850 C VAL B 195 20.761 21.892 23.485 1.00 46.31 C ATOM 851 O VAL B 195 21.141 21.010 24.250 1.00 41.65 O ATOM 852 CB VAL B 195 21.998 24.038 23.343 1.00 45.49 C ATOM 853 CG1 VAL B 195 22.332 23.828 24.822 1.00 43.32 C ATOM 854 CG2 VAL B 195 23.096 24.837 22.641 1.00 37.64 C ATOM 855 H VAL B 195 21.120 23.772 20.905 1.00 0.00 H ATOM 856 N LYS B 196 19.475 22.211 23.335 1.00 39.48 N ATOM 857 CA LYS B 196 18.433 21.494 24.071 1.00 45.92 C ATOM 858 C LYS B 196 18.355 20.018 23.693 1.00 43.07 C ATOM 859 O LYS B 196 18.074 19.171 24.542 1.00 47.59 O ATOM 860 CB LYS B 196 17.077 22.164 23.881 1.00 43.18 C ATOM 861 CG LYS B 196 17.018 23.534 24.523 1.00 49.15 C ATOM 862 CD LYS B 196 15.680 24.204 24.290 1.00 43.17 C ATOM 863 CE LYS B 196 15.665 25.553 24.976 1.00 48.09 C ATOM 864 NZ LYS B 196 14.659 26.467 24.370 1.00 62.20 N ATOM 865 HZ1 LYS B 196 14.885 26.612 23.365 1.00 0.00 H ATOM 866 HZ2 LYS B 196 13.713 26.045 24.456 1.00 0.00 H ATOM 867 HZ3 LYS B 196 14.679 27.381 24.867 1.00 0.00 H ATOM 868 H LYS B 196 19.209 22.979 22.687 1.00 0.00 H ATOM 869 N GLY B 197 18.614 19.719 22.425 1.00 37.38 N ATOM 870 CA GLY B 197 18.662 18.351 21.952 1.00 40.32 C ATOM 871 C GLY B 197 19.770 17.560 22.607 1.00 42.36 C ATOM 872 O GLY B 197 19.568 16.397 22.955 1.00 45.35 O ATOM 873 H GLY B 197 18.788 20.491 21.751 1.00 0.00 H ATOM 874 N LEU B 198 20.943 18.172 22.774 1.00 47.67 N ATOM 875 CA LEU B 198 22.062 17.488 23.421 1.00 41.90 C ATOM 876 C LEU B 198 21.770 17.229 24.891 1.00 42.67 C ATOM 877 O LEU B 198 22.069 16.154 25.405 1.00 42.52 O ATOM 878 CB LEU B 198 23.351 18.288 23.296 1.00 41.98 C ATOM 879 CG LEU B 198 23.896 18.523 21.888 1.00 43.09 C ATOM 880 CD1 LEU B 198 25.211 19.314 21.972 1.00 42.26 C ATOM 881 CD2 LEU B 198 24.079 17.186 21.186 1.00 40.07 C ATOM 882 H LEU B 198 21.064 19.149 22.439 1.00 0.00 H ATOM 883 N LEU B 199 21.178 18.217 25.554 1.00 38.22 N ATOM 884 CA LEU B 199 20.784 18.086 26.949 1.00 45.07 C ATOM 885 C LEU B 199 19.716 17.015 27.158 1.00 42.02 C ATOM 886 O LEU B 199 19.751 16.304 28.163 1.00 40.48 O ATOM 887 CB LEU B 199 20.301 19.434 27.490 1.00 43.48 C ATOM 888 CG LEU B 199 21.438 20.443 27.710 1.00 45.25 C ATOM 889 CD1 LEU B 199 20.911 21.855 27.979 1.00 41.72 C ATOM 890 CD2 LEU B 199 22.309 19.966 28.854 1.00 33.39 C ATOM 891 H LEU B 199 20.990 19.113 25.060 1.00 0.00 H ATOM 892 N ALA B 200 18.770 16.908 26.219 1.00 42.23 N ATOM 893 CA ALA B 200 17.742 15.860 26.271 1.00 46.44 C ATOM 894 C ALA B 200 18.377 14.478 26.121 1.00 40.82 C ATOM 895 O ALA B 200 18.014 13.541 26.822 1.00 46.70 O ATOM 896 CB ALA B 200 16.674 16.080 25.186 1.00 36.01 C ATOM 897 H ALA B 200 18.762 17.586 25.430 1.00 0.00 H ATOM 898 N LYS B 201 19.337 14.370 25.210 1.00 42.36 N ATOM 899 CA LYS B 201 20.074 13.135 25.016 1.00 45.38 C ATOM 900 C LYS B 201 20.856 12.748 26.270 1.00 55.38 C ATOM 901 O LYS B 201 20.861 11.579 26.658 1.00 57.14 O ATOM 902 CB LYS B 201 21.016 13.266 23.825 1.00 43.32 C ATOM 903 CG LYS B 201 21.749 11.983 23.469 1.00 51.52 C ATOM 904 CD LYS B 201 22.423 12.125 22.117 1.00 61.33 C ATOM 905 CE LYS B 201 23.202 10.880 21.745 1.00 69.44 C ATOM 906 NZ LYS B 201 23.819 11.026 20.397 1.00 68.07 N ATOM 907 HZ1 LYS B 201 23.072 11.179 19.690 1.00 0.00 H ATOM 908 HZ2 LYS B 201 24.467 11.840 20.400 1.00 0.00 H ATOM 909 HZ3 LYS B 201 24.347 10.161 20.163 1.00 0.00 H ATOM 910 H LYS B 201 19.567 15.194 24.619 1.00 0.00 H ATOM 911 N ILE B 202 21.510 13.723 26.904 1.00 47.11 N ATOM 912 CA ILE B 202 22.249 13.470 28.137 1.00 45.71 C ATOM 913 C ILE B 202 21.307 12.980 29.232 1.00 47.83 C ATOM 914 O ILE B 202 21.603 12.017 29.943 1.00 43.55 O ATOM 915 CB ILE B 202 22.969 14.743 28.623 1.00 46.88 C ATOM 916 CG1 ILE B 202 24.106 15.107 27.665 1.00 47.41 C ATOM 917 CG2 ILE B 202 23.480 14.567 30.052 1.00 44.15 C ATOM 918 CD1 ILE B 202 24.799 16.415 27.969 1.00 37.54 C ATOM 919 H ILE B 202 21.493 14.686 26.511 1.00 0.00 H ATOM 920 N PHE B 203 20.170 13.655 29.357 1.00 45.25 N ATOM 921 CA PHE B 203 19.139 13.265 30.309 1.00 45.17 C ATOM 922 C PHE B 203 18.731 11.800 30.119 1.00 54.89 C ATOM 923 O PHE B 203 18.674 11.031 31.083 1.00 50.50 O ATOM 924 CB PHE B 203 17.919 14.177 30.157 1.00 48.22 C ATOM 925 CG PHE B 203 16.782 13.815 31.069 1.00 55.73 C ATOM 926 CD1 PHE B 203 16.790 14.203 32.397 1.00 58.46 C ATOM 927 CD2 PHE B 203 15.709 13.078 30.603 1.00 52.50 C ATOM 928 CE1 PHE B 203 15.744 13.858 33.250 1.00 63.94 C ATOM 929 CE2 PHE B 203 14.666 12.733 31.450 1.00 65.09 C ATOM 930 CZ PHE B 203 14.685 13.125 32.774 1.00 58.24 C ATOM 931 H PHE B 203 20.011 14.489 28.756 1.00 0.00 H ATOM 932 N GLU B 204 18.459 11.423 28.872 1.00 52.75 N ATOM 933 CA GLU B 204 18.061 10.063 28.550 1.00 55.43 C ATOM 934 C GLU B 204 19.174 9.079 28.876 1.00 54.53 C ATOM 935 O GLU B 204 18.912 8.027 29.446 1.00 56.58 O ATOM 936 CB GLU B 204 17.649 9.947 27.080 1.00 45.36 C ATOM 937 CG GLU B 204 16.443 10.795 26.716 1.00 59.96 C ATOM 938 CD GLU B 204 15.220 10.455 27.548 1.00 74.18 C ATOM 939 OE1 GLU B 204 14.985 9.253 27.785 1.00 74.52 O ATOM 940 OE2 GLU B 204 14.490 11.379 27.967 1.00 80.39 O ATOM 941 H GLU B 204 18.533 12.122 28.106 1.00 0.00 H ATOM 942 N LEU B 205 20.411 9.433 28.536 1.00 41.19 N ATOM 943 CA LEU B 205 21.562 8.592 28.847 1.00 48.39 C ATOM 944 C LEU B 205 21.811 8.410 30.342 1.00 51.59 C ATOM 945 O LEU B 205 22.195 7.330 30.778 1.00 61.85 O ATOM 946 CB LEU B 205 22.821 9.149 28.192 1.00 44.53 C ATOM 947 CG LEU B 205 22.847 8.976 26.676 1.00 55.06 C ATOM 948 CD1 LEU B 205 24.024 9.705 26.060 1.00 44.40 C ATOM 949 CD2 LEU B 205 22.853 7.486 26.301 1.00 61.36 C ATOM 950 H LEU B 205 20.561 10.332 28.036 1.00 0.00 H ATOM 951 N GLU B 206 21.611 9.467 31.122 1.00 52.81 N ATOM 952 CA GLU B 206 21.838 9.401 32.563 1.00 54.28 C ATOM 953 C GLU B 206 20.721 8.621 33.227 1.00 59.09 C ATOM 954 O GLU B 206 20.906 8.026 34.283 1.00 61.91 O ATOM 955 CB GLU B 206 21.913 10.803 33.167 1.00 46.26 C ATOM 956 CG GLU B 206 23.155 11.565 32.743 1.00 49.45 C ATOM 957 CD GLU B 206 23.269 12.905 33.426 1.00 44.56 C ATOM 958 OE1 GLU B 206 22.229 13.463 33.829 1.00 47.34 O ATOM 959 OE2 GLU B 206 24.403 13.394 33.572 1.00 49.27 O ATOM 960 H GLU B 206 21.286 10.359 30.698 1.00 0.00 H ATOM 961 N LYS B 207 19.555 8.646 32.594 1.00 68.81 N ATOM 962 CA LYS B 207 18.397 7.907 33.062 1.00 72.51 C ATOM 963 C LYS B 207 18.639 6.417 32.872 1.00 77.63 C ATOM 964 O LYS B 207 18.173 5.604 33.663 1.00 78.47 O ATOM 965 CB LYS B 207 17.163 8.341 32.275 1.00 67.54 C ATOM 966 CG LYS B 207 15.894 7.600 32.631 1.00 81.74 C ATOM 967 CD LYS B 207 14.766 7.956 31.680 1.00 87.09 C ATOM 968 CE LYS B 207 14.195 9.327 31.993 1.00 92.37 C ATOM 969 NZ LYS B 207 13.501 9.352 33.314 1.00 99.60 N ATOM 970 HZ1 LYS B 207 12.719 8.667 33.306 1.00 0.00 H ATOM 971 HZ2 LYS B 207 14.176 9.101 34.064 1.00 0.00 H ATOM 972 HZ3 LYS B 207 13.126 10.306 33.489 1.00 0.00 H ATOM 973 H LYS B 207 19.468 9.217 31.729 1.00 0.00 H ATOM 974 N LYS B 208 19.384 6.076 31.823 1.00 76.35 N ATOM 975 CA LYS B 208 19.620 4.686 31.454 1.00 85.03 C ATOM 976 C LYS B 208 20.410 3.896 32.498 1.00 94.64 C ATOM 977 O LYS B 208 20.055 2.759 32.809 1.00100.81 O ATOM 978 CB LYS B 208 20.304 4.596 30.088 1.00 84.13 C ATOM 979 CG LYS B 208 20.588 3.168 29.648 1.00 96.10 C ATOM 980 CD LYS B 208 20.716 3.053 28.138 1.00100.15 C ATOM 981 CE LYS B 208 20.848 1.594 27.714 1.00 88.49 C ATOM 982 NZ LYS B 208 20.805 1.431 26.236 1.00 85.15 N ATOM 983 HZ1 LYS B 208 19.899 1.792 25.875 1.00 0.00 H ATOM 984 HZ2 LYS B 208 21.588 1.964 25.807 1.00 0.00 H ATOM 985 HZ3 LYS B 208 20.898 0.423 25.997 1.00 0.00 H ATOM 986 H LYS B 208 19.813 6.828 31.246 1.00 0.00 H ATOM 987 N THR B 209 21.477 4.490 33.030 1.00 93.35 N ATOM 988 CA THR B 209 22.321 3.811 34.017 1.00 99.51 C ATOM 989 C THR B 209 22.955 4.758 35.046 1.00 96.27 C ATOM 990 O THR B 209 24.014 5.316 34.757 1.00 96.40 O ATOM 991 CB THR B 209 23.481 3.016 33.344 1.00104.30 C ATOM 992 OG1 THR B 209 24.093 3.823 32.329 1.00 98.72 O ATOM 993 CG2 THR B 209 22.989 1.695 32.730 1.00 98.55 C ATOM 994 HG1 THR B 209 24.454 4.649 32.739 1.00 0.00 H ATOM 995 H THR B 209 21.717 5.459 32.738 1.00 0.00 H ATOM 996 N GLU B 210 22.366 4.962 36.234 1.00 97.24 N ATOM 997 CA GLU B 210 21.039 4.496 36.683 1.00 99.82 C ATOM 998 C GLU B 210 20.655 3.021 36.483 1.00107.83 C ATOM 999 O GLU B 210 21.423 2.117 36.814 1.00111.60 O ATOM 1000 CB GLU B 210 19.934 5.411 36.141 1.00102.77 C ATOM 1001 CG GLU B 210 19.714 6.690 36.941 1.00 96.62 C ATOM 1002 CD GLU B 210 18.302 6.791 37.476 1.00107.26 C ATOM 1003 OE1 GLU B 210 17.522 5.834 37.276 1.00111.96 O ATOM 1004 OE2 GLU B 210 17.975 7.824 38.098 1.00106.99 O ATOM 1005 H GLU B 210 22.912 5.517 36.924 1.00 0.00 H ATOM 1006 N THR B 211 19.458 2.806 35.936 1.00105.78 N ATOM 1007 CA THR B 211 18.956 1.473 35.607 1.00109.83 C ATOM 1008 C THR B 211 17.906 1.539 34.495 1.00103.99 C ATOM 1009 O THR B 211 18.069 0.942 33.428 1.00 98.71 O ATOM 1010 CB THR B 211 18.335 0.773 36.836 1.00113.16 C ATOM 1011 OG1 THR B 211 17.817 1.759 37.741 1.00109.58 O ATOM 1012 CG2 THR B 211 19.371 -0.088 37.555 1.00 97.68 C ATOM 1013 HG1 THR B 211 17.420 1.307 38.527 1.00 0.00 H ATOM 1014 H THR B 211 18.852 3.627 35.734 1.00 0.00 H TER 1015 THR B 211 HETATM 1016 O HOH 1 34.706 28.894 20.573 1.00 51.74 O HETATM 1017 O HOH 2 25.196 18.435 31.363 1.00 41.01 O HETATM 1018 O HOH 3 22.548 18.098 31.997 1.00 44.95 O HETATM 1019 O HOH 4 34.831 12.552 26.497 1.00 44.80 O HETATM 1020 O HOH 5 24.822 61.895 20.780 1.00 74.78 O HETATM 1021 O HOH 6 26.935 27.910 18.580 1.00 39.54 O HETATM 1022 O HOH 7 19.961 32.170 23.185 1.00 55.73 O HETATM 1023 O HOH 8 25.347 8.329 34.699 1.00 56.25 O HETATM 1024 O HOH 9 37.209 9.308 26.089 1.00 49.18 O HETATM 1025 O HOH 10 28.512 39.077 24.299 1.00 60.10 O HETATM 1026 O HOH 11 29.589 12.575 21.307 1.00 53.77 O HETATM 1027 O HOH 12 22.148 22.730 31.773 1.00 54.34 O HETATM 1028 O HOH 13 33.214 6.847 30.376 1.00 65.12 O HETATM 1029 O HOH 14 30.961 41.108 24.905 1.00 70.57 O HETATM 1030 O HOH 15 32.141 42.534 22.554 1.00 76.16 O HETATM 1031 O HOH 16 25.240 61.003 17.891 1.00 76.02 O HETATM 1032 O HOH 17 29.960 31.561 29.681 1.00 64.74 O HETATM 1033 O HOH 18 36.792 30.012 22.667 1.00 61.54 O HETATM 1034 O HOH 19 25.183 13.520 19.816 1.00 48.06 O HETATM 1035 O HOH 20 16.861 29.522 24.445 1.00 54.46 O HETATM 1036 O HOH 21 20.092 29.315 26.648 1.00 45.69 O HETATM 1037 O HOH 22 18.176 14.442 21.381 1.00 49.79 O HETATM 1038 O HOH 23 16.561 26.510 11.555 1.00 52.32 O HETATM 1039 O HOH 24 18.545 22.637 15.329 1.00 53.09 O HETATM 1040 O HOH 25 20.300 17.000 30.839 1.00 50.55 O HETATM 1041 O HOH 26 14.115 18.875 25.165 1.00 59.99 O HETATM 1042 O HOH 27 15.019 18.847 22.806 1.00 57.82 O HETATM 1043 O HOH 28 17.826 18.806 31.008 1.00 55.83 O HETATM 1044 O HOH 29 16.046 28.986 13.096 1.00 45.86 O HETATM 1045 O HOH 30 20.538 18.295 19.202 1.00 44.08 O HETATM 1046 O HOH 31 15.431 20.315 20.634 1.00 54.55 O HETATM 1047 O HOH 32 28.513 27.268 15.144 1.00 39.33 O HETATM 1048 O HOH 33 20.635 33.007 9.945 1.00 53.31 O HETATM 1049 O HOH 34 22.532 24.271 14.626 1.00 40.48 O HETATM 1050 O HOH 35 16.344 19.698 26.621 1.00 47.67 O HETATM 1051 O HOH 36 28.915 20.630 18.575 1.00 51.26 O HETATM 1052 O HOH 37 24.854 15.432 34.586 1.00 51.88 O HETATM 1053 O HOH 38 16.666 21.760 28.080 1.00 55.13 O HETATM 1054 O HOH 39 15.956 17.534 28.997 1.00 54.77 O HETATM 1055 O HOH 40 14.671 26.437 22.155 1.00 60.27 O HETATM 1056 O HOH 41 15.283 28.153 20.208 1.00 58.60 O HETATM 1057 O HOH 42 22.779 9.147 36.820 1.00 68.51 O HETATM 1058 O HOH 43 27.606 43.687 4.738 1.00 73.47 O HETATM 1059 O HOH 44 26.273 44.735 1.738 1.00 81.24 O HETATM 1060 O HOH 45 26.353 10.583 19.504 1.00 70.17 O HETATM 1061 O HOH 46 17.236 12.000 23.259 1.00 68.17 O HETATM 1062 O HOH 47 27.747 52.907 3.422 1.00 88.12 O HETATM 1063 O HOH 48 17.981 30.510 28.215 1.00 67.04 O HETATM 1064 O HOH 49 14.758 46.371 13.379 1.00 76.95 O HETATM 1065 O HOH 50 27.919 30.115 31.668 1.00 57.29 O HETATM 1066 O HOH 51 25.029 39.453 31.160 1.00 65.50 O HETATM 1067 N LEU A 52 13.883 47.324 16.481 1.00 0.24 N HETATM 1068 CA LEU A 52 15.244 47.727 16.835 1.00 0.07 C HETATM 1069 C LEU A 52 16.223 46.564 16.634 1.00 0.23 C HETATM 1070 O LEU A 52 15.822 45.483 16.194 1.00 -0.39 O HETATM 1071 N LEU A 52 17.505 46.797 16.919 1.00 -0.26 N HETATM 1072 CA LEU A 52 18.494 45.723 16.953 1.00 0.13 C HETATM 1073 C LEU A 52 18.322 44.894 18.218 1.00 0.20 C HETATM 1074 O LEU A 52 17.918 45.407 19.268 1.00 -0.39 O HETATM 1075 N LEU A 52 18.614 43.603 18.098 1.00 -0.26 N HETATM 1076 CA LEU A 52 18.474 42.674 19.205 1.00 0.13 C HETATM 1077 C LEU A 52 19.833 42.086 19.558 1.00 0.20 C HETATM 1078 O LEU A 52 20.563 41.604 18.688 1.00 -0.39 O HETATM 1079 N LEU A 52 20.179 42.148 20.836 1.00 -0.27 N HETATM 1080 CA LEU A 52 21.403 41.541 21.311 1.00 0.12 C HETATM 1081 C LEU A 52 21.099 40.251 22.040 1.00 0.20 C HETATM 1082 O LEU A 52 19.937 39.958 22.330 1.00 -0.39 O HETATM 1083 N LEU A 52 22.144 39.471 22.340 1.00 -0.25 N HETATM 1084 CA LEU A 52 22.023 38.215 23.082 1.00 0.13 C HETATM 1085 C LEU A 52 21.435 38.425 24.478 1.00 0.21 C HETATM 1086 O LEU A 52 21.696 39.444 25.107 1.00 -0.39 O HETATM 1087 N LEU A 52 20.657 37.451 24.966 1.00 -0.25 N HETATM 1088 CA LEU A 52 19.960 37.510 26.259 1.00 0.13 C HETATM 1089 C LEU A 52 20.887 37.768 27.447 1.00 0.20 C HETATM 1090 O LEU A 52 20.426 38.103 28.540 1.00 -0.39 O HETATM 1091 N LEU A 52 22.185 37.594 27.220 1.00 -0.26 N HETATM 1092 CA LEU A 52 23.208 37.940 28.198 1.00 0.15 C HETATM 1093 C LEU A 52 24.505 38.154 27.453 1.00 0.21 C HETATM 1094 O LEU A 52 24.588 37.890 26.253 1.00 -0.39 O HETATM 1095 N LEU A 52 25.504 38.671 28.154 1.00 -0.26 N HETATM 1096 CA LEU A 52 26.804 38.907 27.547 1.00 0.13 C HETATM 1097 C LEU A 52 27.598 37.604 27.540 1.00 0.20 C HETATM 1098 O LEU A 52 28.401 37.356 26.644 1.00 -0.39 O HETATM 1099 N LEU A 52 27.331 36.764 28.534 1.00 -0.26 N HETATM 1100 CA LEU A 52 27.930 35.440 28.629 1.00 0.15 C HETATM 1101 C LEU A 52 26.904 34.344 28.348 1.00 0.21 C HETATM 1102 O LEU A 52 25.728 34.481 28.691 1.00 -0.39 O HETATM 1103 N LEU A 52 27.345 33.259 27.716 1.00 -0.26 N HETATM 1104 CA LEU A 52 26.410 32.201 27.372 1.00 0.14 C HETATM 1105 C LEU A 52 25.883 31.514 28.616 1.00 0.21 C HETATM 1106 O LEU A 52 26.642 31.039 29.458 1.00 -0.39 O HETATM 1107 N LEU A 52 24.566 31.481 28.726 1.00 -0.26 N HETATM 1108 CA LEU A 52 23.922 30.774 29.808 1.00 0.13 C HETATM 1109 C LEU A 52 23.086 29.664 29.216 1.00 0.21 C HETATM 1110 O LEU A 52 22.156 29.922 28.452 1.00 -0.39 O HETATM 1111 N LEU A 52 23.427 28.415 29.553 1.00 -0.25 N HETATM 1112 CA LEU A 52 22.716 27.239 29.046 1.00 0.13 C HETATM 1113 C LEU A 52 21.269 27.233 29.517 1.00 0.21 C HETATM 1114 O LEU A 52 20.989 27.743 30.605 1.00 -0.39 O HETATM 1115 N LEU A 52 20.360 26.671 28.709 1.00 -0.26 N HETATM 1116 CA LEU A 52 18.951 26.525 29.092 1.00 0.10 C HETATM 1117 C LEU A 52 18.792 25.600 30.303 1.00 0.06 C HETATM 1118 O LEU A 52 19.732 24.853 30.613 1.00 -0.57 O HETATM 1119 OXT LEU A 52 17.728 25.624 30.939 1.00 -0.57 O HETATM 1120 CB LEU A 52 18.317 25.899 27.845 1.00 -0.02 C HETATM 1121 CG LEU A 52 19.462 25.240 27.108 1.00 -0.03 C HETATM 1122 CD LEU A 52 20.630 26.142 27.360 1.00 0.04 C HETATM 1123 H99 LEU A 52 21.575 25.579 27.338 1.00 0.05 H HETATM 1124 H100 LEU A 52 20.669 26.953 26.618 1.00 0.05 H HETATM 1125 H97 LEU A 52 19.246 25.173 26.032 1.00 0.03 H HETATM 1126 H98 LEU A 52 19.654 24.233 27.506 1.00 0.03 H HETATM 1127 H95 LEU A 52 17.850 26.674 27.219 1.00 0.03 H HETATM 1128 H96 LEU A 52 17.561 25.153 28.130 1.00 0.03 H HETATM 1129 H94 LEU A 52 18.501 27.503 29.317 1.00 0.07 H HETATM 1130 CB LEU A 52 23.476 26.075 29.684 1.00 -0.01 C HETATM 1131 CG LEU A 52 24.830 26.648 30.056 1.00 -0.03 C HETATM 1132 CD LEU A 52 24.536 28.048 30.449 1.00 0.04 C HETATM 1133 H92 LEU A 52 24.229 28.107 31.504 1.00 0.05 H HETATM 1134 H93 LEU A 52 25.409 28.697 30.285 1.00 0.05 H HETATM 1135 H90 LEU A 52 25.515 26.620 29.196 1.00 0.03 H HETATM 1136 H91 LEU A 52 25.272 26.092 30.896 1.00 0.03 H HETATM 1137 H88 LEU A 52 23.590 25.248 28.967 1.00 0.03 H HETATM 1138 H89 LEU A 52 22.950 25.714 30.580 1.00 0.03 H HETATM 1139 H87 LEU A 52 22.753 27.192 27.948 1.00 0.08 H HETATM 1140 CB LEU A 52 23.034 31.723 30.633 1.00 -0.00 C HETATM 1141 CG1 LEU A 52 23.906 32.819 31.248 1.00 -0.05 C HETATM 1142 CD1 LEU A 52 23.152 33.796 32.097 1.00 -0.06 C HETATM 1143 H84 LEU A 52 23.849 34.547 32.499 1.00 0.02 H HETATM 1144 H85 LEU A 52 22.669 33.262 32.929 1.00 0.02 H HETATM 1145 H86 LEU A 52 22.385 34.296 31.487 1.00 0.02 H HETATM 1146 H79 LEU A 52 24.391 33.374 30.431 1.00 0.03 H HETATM 1147 H80 LEU A 52 24.674 32.340 31.872 1.00 0.03 H HETATM 1148 CG2 LEU A 52 22.251 30.947 31.689 1.00 -0.06 C HETATM 1149 H81 LEU A 52 21.642 30.173 31.199 1.00 0.02 H HETATM 1150 H82 LEU A 52 21.594 31.637 32.239 1.00 0.02 H HETATM 1151 H83 LEU A 52 22.953 30.471 32.390 1.00 0.02 H HETATM 1152 H78 LEU A 52 22.309 32.200 29.957 1.00 0.03 H HETATM 1153 H77 LEU A 52 24.690 30.342 30.467 1.00 0.08 H HETATM 1154 H76 LEU A 52 24.005 31.955 28.047 1.00 0.19 H HETATM 1155 CB LEU A 52 26.991 31.168 26.399 1.00 0.02 C HETATM 1156 CG LEU A 52 25.939 30.150 26.009 1.00 -0.05 C HETATM 1157 CD1 LEU A 52 24.880 30.504 25.180 1.00 -0.07 C HETATM 1158 CE1 LEU A 52 23.896 29.598 24.840 1.00 -0.04 C HETATM 1159 CZ LEU A 52 23.946 28.317 25.332 1.00 0.08 C HETATM 1160 CE2 LEU A 52 24.975 27.940 26.171 1.00 -0.04 C HETATM 1161 CD2 LEU A 52 25.966 28.860 26.508 1.00 -0.07 C HETATM 1162 H72 LEU A 52 26.770 28.560 27.171 1.00 0.05 H HETATM 1163 H74 LEU A 52 25.012 26.931 26.567 1.00 0.05 H HETATM 1164 OH LEU A 52 22.965 27.419 24.982 1.00 -0.34 O HETATM 1165 H75 LEU A 52 22.341 27.842 24.404 1.00 0.25 H HETATM 1166 H73 LEU A 52 23.085 29.897 24.186 1.00 0.05 H HETATM 1167 H71 LEU A 52 24.826 31.515 24.792 1.00 0.05 H HETATM 1168 H69 LEU A 52 27.833 30.650 26.882 1.00 0.05 H HETATM 1169 H70 LEU A 52 27.347 31.684 25.495 1.00 0.05 H HETATM 1170 H68 LEU A 52 25.556 32.677 26.868 1.00 0.08 H HETATM 1171 H67 LEU A 52 28.313 33.172 27.480 1.00 0.19 H HETATM 1172 CB LEU A 52 28.555 35.237 30.007 1.00 0.08 C HETATM 1173 CG LEU A 52 29.803 36.078 30.202 1.00 0.18 C HETATM 1174 OD1 LEU A 52 30.317 36.677 29.253 1.00 -0.40 O HETATM 1175 ND2 LEU A 52 30.307 36.116 31.429 1.00 -0.30 N HETATM 1176 H65 LEU A 52 31.129 36.654 31.616 1.00 0.18 H HETATM 1177 H66 LEU A 52 29.865 35.606 32.167 1.00 0.18 H HETATM 1178 H63 LEU A 52 28.822 34.176 30.122 1.00 0.06 H HETATM 1179 H64 LEU A 52 27.818 35.515 30.774 1.00 0.06 H HETATM 1180 H62 LEU A 52 28.726 35.368 27.873 1.00 0.08 H HETATM 1181 H61 LEU A 52 26.692 37.053 29.247 1.00 0.19 H HETATM 1182 CB LEU A 52 27.537 40.027 28.290 1.00 -0.01 C HETATM 1183 CG LEU A 52 27.295 41.441 27.741 1.00 -0.04 C HETATM 1184 CD1 LEU A 52 28.134 41.662 26.498 1.00 -0.06 C HETATM 1185 H55 LEU A 52 27.956 42.676 26.111 1.00 0.02 H HETATM 1186 H56 LEU A 52 27.856 40.923 25.732 1.00 0.02 H HETATM 1187 H57 LEU A 52 29.199 41.548 26.749 1.00 0.02 H HETATM 1188 CD2 LEU A 52 25.818 41.709 27.438 1.00 -0.06 C HETATM 1189 H58 LEU A 52 25.221 41.545 28.348 1.00 0.02 H HETATM 1190 H59 LEU A 52 25.476 41.025 26.647 1.00 0.02 H HETATM 1191 H60 LEU A 52 25.695 42.749 27.102 1.00 0.02 H HETATM 1192 H54 LEU A 52 27.617 42.161 28.508 1.00 0.03 H HETATM 1193 H52 LEU A 52 28.616 39.821 28.237 1.00 0.03 H HETATM 1194 H53 LEU A 52 27.211 40.009 29.340 1.00 0.03 H HETATM 1195 H51 LEU A 52 26.655 39.227 26.505 1.00 0.08 H HETATM 1196 H50 LEU A 52 25.361 38.903 29.116 1.00 0.19 H HETATM 1197 CB LEU A 52 23.369 36.846 29.254 1.00 0.08 C HETATM 1198 OG LEU A 52 22.886 35.600 28.774 1.00 -0.39 O HETATM 1199 H49 LEU A 52 22.997 34.938 29.447 1.00 0.21 H HETATM 1200 H47 LEU A 52 22.803 37.129 30.154 1.00 0.06 H HETATM 1201 H48 LEU A 52 24.435 36.745 29.508 1.00 0.06 H HETATM 1202 H46 LEU A 52 22.921 38.874 28.703 1.00 0.08 H HETATM 1203 H45 LEU A 52 22.471 37.210 26.342 1.00 0.19 H HETATM 1204 CB LEU A 52 19.322 36.124 26.375 1.00 -0.01 C HETATM 1205 CG LEU A 52 20.094 35.251 25.401 1.00 -0.03 C HETATM 1206 CD LEU A 52 20.454 36.161 24.284 1.00 0.04 C HETATM 1207 H43 LEU A 52 21.375 35.828 23.783 1.00 0.05 H HETATM 1208 H44 LEU A 52 19.639 36.226 23.548 1.00 0.05 H HETATM 1209 H41 LEU A 52 19.466 34.423 25.040 1.00 0.03 H HETATM 1210 H42 LEU A 52 20.998 34.844 25.877 1.00 0.03 H HETATM 1211 H39 LEU A 52 18.258 36.164 26.098 1.00 0.03 H HETATM 1212 H40 LEU A 52 19.420 35.738 27.401 1.00 0.03 H HETATM 1213 H38 LEU A 52 19.189 38.294 26.237 1.00 0.08 H HETATM 1214 CB LEU A 52 23.478 37.725 23.172 1.00 -0.01 C HETATM 1215 CG LEU A 52 24.319 38.950 22.934 1.00 -0.03 C HETATM 1216 CD LEU A 52 23.536 39.745 21.945 1.00 0.04 C HETATM 1217 H36 LEU A 52 23.768 40.817 22.026 1.00 0.05 H HETATM 1218 H37 LEU A 52 23.732 39.404 20.918 1.00 0.05 H HETATM 1219 H34 LEU A 52 25.302 38.675 22.523 1.00 0.03 H HETATM 1220 H35 LEU A 52 24.457 39.516 23.867 1.00 0.03 H HETATM 1221 H32 LEU A 52 23.678 36.964 22.403 1.00 0.03 H HETATM 1222 H33 LEU A 52 23.683 37.303 24.167 1.00 0.03 H HETATM 1223 H31 LEU A 52 21.398 37.496 22.531 1.00 0.08 H HETATM 1224 H29 LEU A 52 21.910 42.235 21.997 1.00 0.08 H HETATM 1225 H30 LEU A 52 22.059 41.328 20.454 1.00 0.08 H HETATM 1226 H28 LEU A 52 19.583 42.623 21.483 1.00 0.19 H HETATM 1227 CB LEU A 52 17.514 41.530 18.843 1.00 -0.01 C HETATM 1228 CG1 LEU A 52 17.112 40.755 20.088 1.00 -0.06 C HETATM 1229 H22 LEU A 52 16.426 39.942 19.808 1.00 0.02 H HETATM 1230 H23 LEU A 52 16.610 41.432 20.795 1.00 0.02 H HETATM 1231 H24 LEU A 52 18.010 40.331 20.562 1.00 0.02 H HETATM 1232 CG2 LEU A 52 16.283 42.082 18.116 1.00 -0.06 C HETATM 1233 H25 LEU A 52 16.603 42.637 17.222 1.00 0.02 H HETATM 1234 H26 LEU A 52 15.732 42.757 18.788 1.00 0.02 H HETATM 1235 H27 LEU A 52 15.630 41.249 17.817 1.00 0.02 H HETATM 1236 H21 LEU A 52 18.036 40.841 18.163 1.00 0.03 H HETATM 1237 H20 LEU A 52 18.075 43.215 20.076 1.00 0.08 H HETATM 1238 H19 LEU A 52 18.941 43.261 17.217 1.00 0.19 H HETATM 1239 CB LEU A 52 19.905 46.274 16.865 1.00 -0.02 C HETATM 1240 H16 LEU A 52 20.625 45.443 16.893 1.00 0.03 H HETATM 1241 H17 LEU A 52 20.089 46.948 17.715 1.00 0.03 H HETATM 1242 H18 LEU A 52 20.023 46.830 15.924 1.00 0.03 H HETATM 1243 H15 LEU A 52 18.325 45.070 16.084 1.00 0.08 H HETATM 1244 H14 LEU A 52 17.797 47.733 17.115 1.00 0.19 H HETATM 1245 CB LEU A 52 15.288 48.245 18.278 1.00 0.01 C HETATM 1246 CG LEU A 52 16.519 49.064 18.702 1.00 -0.04 C HETATM 1247 CD1 LEU A 52 16.927 50.049 17.612 1.00 -0.06 C HETATM 1248 H8 LEU A 52 17.808 50.619 17.944 1.00 0.02 H HETATM 1249 H9 LEU A 52 16.096 50.742 17.414 1.00 0.02 H HETATM 1250 H10 LEU A 52 17.172 49.498 16.692 1.00 0.02 H HETATM 1251 CD2 LEU A 52 16.315 49.766 20.050 1.00 -0.06 C HETATM 1252 H11 LEU A 52 16.022 49.025 20.809 1.00 0.02 H HETATM 1253 H12 LEU A 52 15.523 50.523 19.953 1.00 0.02 H HETATM 1254 H13 LEU A 52 17.253 50.253 20.356 1.00 0.02 H HETATM 1255 H7 LEU A 52 17.351 48.356 18.830 1.00 0.03 H HETATM 1256 H5 LEU A 52 15.229 47.371 18.944 1.00 0.03 H HETATM 1257 H6 LEU A 52 14.402 48.880 18.427 1.00 0.03 H HETATM 1258 H4 LEU A 52 15.546 48.547 16.167 1.00 0.11 H HETATM 1259 H1 LEU A 52 13.256 48.101 16.620 1.00 0.20 H HETATM 1260 H2 LEU A 52 13.598 46.554 17.065 1.00 0.20 H HETATM 1261 H3 LEU A 52 13.857 47.040 15.514 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 552 553 562 563 564 CONECT 562 552 CONECT 563 552 CONECT 564 552 CONECT 1067 1068 1259 1260 1261 CONECT 1068 1067 1069 1245 1258 CONECT 1069 1068 1070 1071 CONECT 1070 1069 CONECT 1071 1069 1072 1244 CONECT 1072 1071 1073 1239 1243 CONECT 1073 1072 1074 1075 CONECT 1074 1073 CONECT 1075 1073 1076 1238 CONECT 1076 1075 1077 1227 1237 CONECT 1077 1076 1078 1079 CONECT 1078 1077 CONECT 1079 1077 1080 1226 CONECT 1080 1079 1081 1224 1225 CONECT 1081 1080 1082 1083 CONECT 1082 1081 CONECT 1083 1081 1084 1216 CONECT 1084 1083 1085 1214 1223 CONECT 1085 1084 1086 1087 CONECT 1086 1085 CONECT 1087 1085 1088 1206 CONECT 1088 1087 1089 1204 1213 CONECT 1089 1088 1090 1091 CONECT 1090 1089 CONECT 1091 1089 1092 1203 CONECT 1092 1091 1093 1197 1202 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1196 CONECT 1096 1095 1097 1182 1195 CONECT 1097 1096 1098 1099 CONECT 1098 1097 CONECT 1099 1097 1100 1181 CONECT 1100 1099 1101 1172 1180 CONECT 1101 1100 1102 1103 CONECT 1102 1101 CONECT 1103 1101 1104 1171 CONECT 1104 1103 1105 1155 1170 CONECT 1105 1104 1106 1107 CONECT 1106 1105 CONECT 1107 1105 1108 1154 CONECT 1108 1107 1109 1140 1153 CONECT 1109 1108 1110 1111 CONECT 1110 1109 CONECT 1111 1109 1112 1132 CONECT 1112 1111 1113 1130 1139 CONECT 1113 1112 1114 1115 CONECT 1114 1113 CONECT 1115 1113 1116 1122 CONECT 1116 1115 1117 1120 1129 CONECT 1117 1116 1118 1119 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1116 1121 1127 1128 CONECT 1121 1120 1122 1125 1126 CONECT 1122 1115 1121 1123 1124 CONECT 1123 1122 CONECT 1124 1122 CONECT 1125 1121 CONECT 1126 1121 CONECT 1127 1120 CONECT 1128 1120 CONECT 1129 1116 CONECT 1130 1112 1131 1137 1138 CONECT 1131 1130 1132 1135 1136 CONECT 1132 1111 1131 1133 1134 CONECT 1133 1132 CONECT 1134 1132 CONECT 1135 1131 CONECT 1136 1131 CONECT 1137 1130 CONECT 1138 1130 CONECT 1139 1112 CONECT 1140 1108 1141 1148 1152 CONECT 1141 1140 1142 1146 1147 CONECT 1142 1141 1143 1144 1145 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1142 CONECT 1146 1141 CONECT 1147 1141 CONECT 1148 1140 1149 1150 1151 CONECT 1149 1148 CONECT 1150 1148 CONECT 1151 1148 CONECT 1152 1140 CONECT 1153 1108 CONECT 1154 1107 CONECT 1155 1104 1156 1168 1169 CONECT 1156 1155 1157 1161 CONECT 1157 1156 1158 1167 CONECT 1158 1157 1159 1166 CONECT 1159 1158 1160 1164 CONECT 1160 1159 1161 1163 CONECT 1161 1156 1160 1162 CONECT 1162 1161 CONECT 1163 1160 CONECT 1164 1159 1165 CONECT 1165 1164 CONECT 1166 1158 CONECT 1167 1157 CONECT 1168 1155 CONECT 1169 1155 CONECT 1170 1104 CONECT 1171 1103 CONECT 1172 1100 1173 1178 1179 CONECT 1173 1172 1174 1175 CONECT 1174 1173 CONECT 1175 1173 1176 1177 CONECT 1176 1175 CONECT 1177 1175 CONECT 1178 1172 CONECT 1179 1172 CONECT 1180 1100 CONECT 1181 1099 CONECT 1182 1096 1183 1193 1194 CONECT 1183 1182 1184 1188 1192 CONECT 1184 1183 1185 1186 1187 CONECT 1185 1184 CONECT 1186 1184 CONECT 1187 1184 CONECT 1188 1183 1189 1190 1191 CONECT 1189 1188 CONECT 1190 1188 CONECT 1191 1188 CONECT 1192 1183 CONECT 1193 1182 CONECT 1194 1182 CONECT 1195 1096 CONECT 1196 1095 CONECT 1197 1092 1198 1200 1201 CONECT 1198 1197 1199 CONECT 1199 1198 CONECT 1200 1197 CONECT 1201 1197 CONECT 1202 1092 CONECT 1203 1091 CONECT 1204 1088 1205 1211 1212 CONECT 1205 1204 1206 1209 1210 CONECT 1206 1087 1205 1207 1208 CONECT 1207 1206 CONECT 1208 1206 CONECT 1209 1205 CONECT 1210 1205 CONECT 1211 1204 CONECT 1212 1204 CONECT 1213 1088 CONECT 1214 1084 1215 1221 1222 CONECT 1215 1214 1216 1219 1220 CONECT 1216 1083 1215 1217 1218 CONECT 1217 1216 CONECT 1218 1216 CONECT 1219 1215 CONECT 1220 1215 CONECT 1221 1214 CONECT 1222 1214 CONECT 1223 1084 CONECT 1224 1080 CONECT 1225 1080 CONECT 1226 1079 CONECT 1227 1076 1228 1232 1236 CONECT 1228 1227 1229 1230 1231 CONECT 1229 1228 CONECT 1230 1228 CONECT 1231 1228 CONECT 1232 1227 1233 1234 1235 CONECT 1233 1232 CONECT 1234 1232 CONECT 1235 1232 CONECT 1236 1227 CONECT 1237 1076 CONECT 1238 1075 CONECT 1239 1072 1240 1241 1242 CONECT 1240 1239 CONECT 1241 1239 CONECT 1242 1239 CONECT 1243 1072 CONECT 1244 1071 CONECT 1245 1068 1246 1256 1257 CONECT 1246 1245 1247 1251 1255 CONECT 1247 1246 1248 1249 1250 CONECT 1248 1247 CONECT 1249 1247 CONECT 1250 1247 CONECT 1251 1246 1252 1253 1254 CONECT 1252 1251 CONECT 1253 1251 CONECT 1254 1251 CONECT 1255 1246 CONECT 1256 1245 CONECT 1257 1245 CONECT 1258 1068 CONECT 1259 1067 CONECT 1260 1067 CONECT 1261 1067 MASTER 0 0 0 0 0 0 0 0 1259 2 203 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 3wut
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1azg
RCSB PDB
PDBbind
14-mer
1bt6
RCSB PDB
PDBbind
14-mer
1eoj
RCSB PDB
PDBbind
14-mer
1f3j
RCSB PDB
PDBbind
14-mer
1i3z
RCSB PDB
PDBbind
14-mer
1iht
RCSB PDB
PDBbind
14-mer
1jbd
RCSB PDB
PDBbind
14-mer
1mv0
RCSB PDB
PDBbind
14-mer
1n5z
RCSB PDB
PDBbind
14-mer
1ntv
RCSB PDB
PDBbind
14-mer
1oj5
RCSB PDB
PDBbind
14-mer
1oxg
RCSB PDB
PDBbind
14-mer
1sfi
RCSB PDB
PDBbind
14-mer
1t29
RCSB PDB
PDBbind
14-mer
1x11
RCSB PDB
PDBbind
14-mer
1xh3
RCSB PDB
PDBbind
14-mer
1xn3
RCSB PDB
PDBbind
14-mer
1y19
RCSB PDB
PDBbind
14-mer
2fci
RCSB PDB
PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
2jnw
RCSB PDB
PDBbind
14-mer
2l0i
RCSB PDB
PDBbind
14-mer
2l6e
RCSB PDB
PDBbind
14-mer
2l75
RCSB PDB
PDBbind
14-mer
2lo6
RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
2ltw
RCSB PDB
PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
14-mer
2oi3
RCSB PDB
PDBbind
14-mer
2w2u
RCSB PDB
PDBbind
14-mer
2xl2
RCSB PDB
PDBbind
14-mer
2xl3
RCSB PDB
PDBbind
14-mer
2xrw
RCSB PDB
PDBbind
14-mer
2xs0
RCSB PDB
PDBbind
14-mer
2y8o
RCSB PDB
PDBbind
14-mer
3d9k
RCSB PDB
PDBbind
14-mer
3d9l
RCSB PDB
PDBbind
14-mer
3d9m
RCSB PDB
PDBbind
14-mer
3d9n
RCSB PDB
PDBbind
14-mer
3d9o
RCSB PDB
PDBbind
14-mer
3d9p
RCSB PDB
PDBbind
14-mer
3g2w
RCSB PDB
PDBbind
14-mer
3lrh
RCSB PDB
PDBbind
14-mer
3meu
RCSB PDB
PDBbind
14-mer
3pkn
RCSB PDB
PDBbind
14-mer
3rqe
RCSB PDB
PDBbind
14-mer
3so6
RCSB PDB
PDBbind
14-mer
3ual
RCSB PDB
PDBbind
14-mer
3wdz
RCSB PDB
PDBbind
14-mer
3wuu
RCSB PDB
PDBbind
14-mer
3wuv
RCSB PDB
PDBbind
14-mer
4aza
RCSB PDB
PDBbind
14-mer
4ch2
RCSB PDB
PDBbind
14-mer
4ch8
RCSB PDB
PDBbind
14-mer
4erq
RCSB PDB
PDBbind
14-mer
4ery
RCSB PDB
PDBbind
14-mer
4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
14-mer
4ewr
RCSB PDB
PDBbind
14-mer
4fi9
RCSB PDB
PDBbind
14-mer
4gly
RCSB PDB
PDBbind
14-mer
4gxl
RCSB PDB
PDBbind
14-mer
4hgc
RCSB PDB
PDBbind
14-mer
4i7b
RCSB PDB
PDBbind
14-mer
4i7c
RCSB PDB
PDBbind
14-mer
4i7d
RCSB PDB
PDBbind
14-mer
4k1e
RCSB PDB
PDBbind
14-mer
4ktu
RCSB PDB
PDBbind
14-mer
4m1d
RCSB PDB
PDBbind
14-mer
4mnv
RCSB PDB
PDBbind
14-mer
4mnw
RCSB PDB
PDBbind
14-mer
4mnx
RCSB PDB
PDBbind
14-mer
4mny
RCSB PDB
PDBbind
14-mer
4o4y
RCSB PDB
PDBbind
14-mer
4ofb
RCSB PDB
PDBbind
14-mer
4os2
RCSB PDB
PDBbind
14-mer
4os6
RCSB PDB
PDBbind
14-mer
4ov5
RCSB PDB
PDBbind
14-mer
4wv6
RCSB PDB
PDBbind
14-mer
5aer
RCSB PDB
PDBbind
14-mer
5dpw
RCSB PDB
PDBbind
14-mer
5e0l
RCSB PDB
PDBbind
14-mer
5eoc
RCSB PDB
PDBbind
14-mer
5h5s
RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
14-mer
5ly1
RCSB PDB
PDBbind
14-mer
5ly2
RCSB PDB
PDBbind
14-mer
5n8w
RCSB PDB
PDBbind
14-mer
5unj
RCSB PDB
PDBbind
14-mer
5vlh
RCSB PDB
PDBbind
14-mer
5vll
RCSB PDB
PDBbind
14-mer
5wbk
RCSB PDB
PDBbind
14-mer
5zoo
RCSB PDB
PDBbind
14-mer
6axk
RCSB PDB
PDBbind
14-mer
6axl
RCSB PDB
PDBbind
14-mer
6b27
RCSB PDB
PDBbind
14-mer
6co4
RCSB PDB
PDBbind
14-mer
6qcg
RCSB PDB
PDBbind
14-mer
6qc0
RCSB PDB
PDBbind
14-mer
6pxc
RCSB PDB
PDBbind
14-mer
6o3w
RCSB PDB
PDBbind
14-mer
6o21
RCSB PDB
PDBbind
14-mer
6nk1
RCSB PDB
PDBbind
14-mer
6fzp
RCSB PDB
PDBbind
14-mer
6fzj
RCSB PDB
PDBbind
14-mer
6fzf
RCSB PDB
PDBbind
14-mer
6d3x
RCSB PDB
PDBbind
14-mer
6bvh
RCSB PDB
PDBbind
14-mer
6bcr
RCSB PDB
PDBbind
14-mer
5zk7
RCSB PDB
PDBbind
14-mer
5zjy
RCSB PDB
PDBbind
14-mer
5y21
RCSB PDB
PDBbind
14-mer
5xvw
RCSB PDB
PDBbind
14-mer
5vk0
RCSB PDB
PDBbind
14-mer
5ok6
RCSB PDB
PDBbind
14-mer
6bd1
RCSB PDB
PDBbind
14-mer
Entry Information
PDB ID
3wut
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Centrosomal protein of 55 kDa, CEP55 (160-217)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Kd=323nM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112(40): pp. 12372-12377
Ligand Properties
Formula
C
6
4
H
1
0
1
N
1
4
O
1
7
Molecular Weight
1338.570
Exact Mass
1337.750
No. of atoms
196
No. of bonds
200
Polar Surface Area
462.53
LOGP Value
-0.75 (
Computed with XLOGP3
)
0.36 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 5
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[NH3+])C)CO)CC(C)C)CC(=O)N)Cc1ccc(cc1)O)C
InChI String
InChI=1S/C64H100N14O17/c1-10-36(8)52(63(93)77-25-13-17-47(77)62(92)78-26-14-18-48(78)64(94)95)74-57(87)42(29-38-19-21-39(80)22-20-38)70-56(86)43(30-49(66)81)71-55(85)41(28-34(4)5)69-58(88)44(32-79)72-59(89)45-15-11-24-76(45)61(91)46-16-12-23-75(46)50(82)31-67-60(90)51(35(6)7)73-53(83)37(9)68-54(84)40(65)27-33(2)3/h19-22,33-37,40-48,51-52,79-80H,10-18,23-32,65H2,1-9H3,(H2,66,81)(H,67,90)(H,68,84)(H,69,88)(H,70,86)(H,71,85)(H,72,89)(H,73,83)(H,74,87)(H,94,95)/p+1/t36-,37-,40-,41-,42-,43-,44-,45-,46-,47-,48-,51-,52-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q53EZ4
Q8IWB6
Entrez Gene ID
NCBI Entrez Gene ID:
55165
56155
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com