Browse entries in the PDBbind-CN Database
HEADER 6UYZ_COMPLEX COMPND 6UYZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 26 GLU TYR ILE LYS LEU LYS VAL ILE GLY GLN ASP SER SER SEQRES 2 A 26 GLU ILE HIS PHE LYS VAL LYS MET THR THR HIS LEU LYS SEQRES 1 A 50 LEU LYS GLU SER TYR ALA GLN ARG GLN GLY VAL PRO MET SEQRES 2 A 50 ASN SER LEU ARG PHE LEU PHE GLU GLY GLN ARG ILE ALA SEQRES 3 A 50 ASP ASN HIS THR PRO LYS GLU LEU GLY MET GLU GLU GLU SEQRES 4 A 50 ASP VAL ILE GLU VAL TYR GLN GLU GLN THR GLY HET ALA A 228 140 ATOM 1 N GLU A 20 87.289 3.223 21.706 1.00 51.42 N ATOM 2 CA GLU A 20 87.380 1.856 22.219 1.00 46.78 C ATOM 3 C GLU A 20 88.847 1.451 22.361 1.00 28.78 C ATOM 4 O GLU A 20 89.493 1.020 21.405 1.00 32.00 O ATOM 5 CB GLU A 20 86.641 0.892 21.299 1.00 62.08 C ATOM 6 CG GLU A 20 87.063 0.985 19.849 1.00 66.46 C ATOM 7 CD GLU A 20 85.975 1.519 18.930 1.00 74.55 C ATOM 8 OE1 GLU A 20 85.658 2.727 19.004 1.00 62.24 O ATOM 9 OE2 GLU A 20 85.433 0.721 18.128 1.00 78.06 O ATOM 10 HN3 GLU A 20 87.752 3.274 20.776 1.00 0.00 H ATOM 11 HN2 GLU A 20 87.763 3.872 22.366 1.00 0.00 H ATOM 12 HN1 GLU A 20 86.288 3.491 21.612 1.00 0.00 H ATOM 13 N TYR A 21 89.354 1.619 23.573 1.00 30.75 N ATOM 14 CA TYR A 21 90.746 1.383 23.887 1.00 27.95 C ATOM 15 C TYR A 21 90.909 0.033 24.564 1.00 23.47 C ATOM 16 O TYR A 21 89.984 -0.499 25.187 1.00 22.67 O ATOM 17 CB TYR A 21 91.254 2.476 24.834 1.00 32.09 C ATOM 18 CG TYR A 21 91.580 3.802 24.176 1.00 42.91 C ATOM 19 CD1 TYR A 21 92.898 4.169 23.930 1.00 42.47 C ATOM 20 CD2 TYR A 21 90.576 4.690 23.808 1.00 54.25 C ATOM 21 CE1 TYR A 21 93.211 5.387 23.335 1.00 41.40 C ATOM 22 CE2 TYR A 21 90.878 5.910 23.212 1.00 57.95 C ATOM 23 CZ TYR A 21 92.197 6.251 22.981 1.00 61.44 C ATOM 24 OH TYR A 21 92.509 7.456 22.393 1.00 71.82 O ATOM 25 HH TYR A 21 93.492 7.534 22.304 1.00 0.00 H ATOM 26 H TYR A 21 88.721 1.936 24.335 1.00 0.00 H ATOM 27 N ILE A 22 92.117 -0.511 24.451 1.00 15.91 N ATOM 28 CA ILE A 22 92.535 -1.606 25.309 1.00 15.59 C ATOM 29 C ILE A 22 93.833 -1.147 25.956 1.00 14.54 C ATOM 30 O ILE A 22 94.546 -0.295 25.421 1.00 16.28 O ATOM 31 CB ILE A 22 92.718 -2.968 24.606 1.00 17.22 C ATOM 32 CG1 ILE A 22 93.742 -2.897 23.475 1.00 14.63 C ATOM 33 CG2 ILE A 22 91.361 -3.490 24.109 1.00 18.73 C ATOM 34 CD1 ILE A 22 94.153 -4.275 22.990 1.00 19.06 C ATOM 35 H ILE A 22 92.776 -0.145 23.734 1.00 0.00 H ATOM 36 N LYS A 23 94.154 -1.739 27.089 1.00 15.01 N ATOM 37 CA LYS A 23 95.418 -1.486 27.771 1.00 13.06 C ATOM 38 C LYS A 23 96.370 -2.653 27.555 1.00 14.90 C ATOM 39 O LYS A 23 96.001 -3.809 27.786 1.00 20.71 O ATOM 40 CB LYS A 23 95.165 -1.313 29.264 1.00 19.87 C ATOM 41 CG LYS A 23 96.406 -0.936 30.059 1.00 21.43 C ATOM 42 CD LYS A 23 96.161 -0.985 31.563 1.00 31.63 C ATOM 43 CE LYS A 23 95.165 0.049 32.015 1.00 41.02 C ATOM 44 NZ LYS A 23 94.898 -0.124 33.479 1.00 32.75 N ATOM 45 HZ1 LYS A 23 94.514 -1.075 33.650 1.00 0.00 H ATOM 46 HZ2 LYS A 23 95.786 -0.007 34.008 1.00 0.00 H ATOM 47 HZ3 LYS A 23 94.210 0.590 33.791 1.00 0.00 H ATOM 48 H LYS A 23 93.482 -2.411 27.512 1.00 0.00 H ATOM 49 N LEU A 24 97.579 -2.350 27.090 1.00 12.63 N ATOM 50 CA LEU A 24 98.636 -3.322 26.862 1.00 13.17 C ATOM 51 C LEU A 24 99.735 -3.096 27.889 1.00 14.23 C ATOM 52 O LEU A 24 100.012 -1.956 28.268 1.00 14.99 O ATOM 53 CB LEU A 24 99.233 -3.162 25.469 1.00 14.13 C ATOM 54 CG LEU A 24 98.233 -3.427 24.335 1.00 11.34 C ATOM 55 CD1 LEU A 24 98.839 -3.110 22.991 1.00 15.24 C ATOM 56 CD2 LEU A 24 97.721 -4.848 24.342 1.00 16.72 C ATOM 57 H LEU A 24 97.781 -1.353 26.876 1.00 0.00 H ATOM 58 N LYS A 25 100.404 -4.179 28.284 1.00 12.04 N ATOM 59 CA LYS A 25 101.432 -4.151 29.324 1.00 10.96 C ATOM 60 C LYS A 25 102.775 -4.514 28.705 1.00 10.56 C ATOM 61 O LYS A 25 102.971 -5.655 28.263 1.00 9.44 O ATOM 62 CB LYS A 25 101.071 -5.136 30.438 1.00 16.35 C ATOM 63 CG LYS A 25 102.022 -5.139 31.618 1.00 18.84 C ATOM 64 CD LYS A 25 101.523 -6.034 32.765 1.00 35.24 C ATOM 65 CE LYS A 25 99.998 -6.021 32.915 1.00 35.65 C ATOM 66 NZ LYS A 25 99.531 -6.591 34.214 1.00 39.64 N ATOM 67 HZ1 LYS A 25 99.847 -7.579 34.291 1.00 0.00 H ATOM 68 HZ2 LYS A 25 99.930 -6.036 34.998 1.00 0.00 H ATOM 69 HZ3 LYS A 25 98.492 -6.554 34.254 1.00 0.00 H ATOM 70 H LYS A 25 100.184 -5.089 27.830 1.00 0.00 H ATOM 71 N VAL A 26 103.711 -3.557 28.689 1.00 10.85 N ATOM 72 CA VAL A 26 105.003 -3.732 28.055 1.00 10.02 C ATOM 73 C VAL A 26 106.024 -4.000 29.143 1.00 12.68 C ATOM 74 O VAL A 26 106.223 -3.170 30.049 1.00 13.10 O ATOM 75 CB VAL A 26 105.395 -2.518 27.204 1.00 12.78 C ATOM 76 CG1 VAL A 26 106.735 -2.768 26.553 1.00 15.59 C ATOM 77 CG2 VAL A 26 104.291 -2.245 26.184 1.00 15.17 C ATOM 78 H VAL A 26 103.502 -2.649 29.151 1.00 0.00 H ATOM 79 N ILE A 27 106.660 -5.165 29.074 1.00 10.23 N ATOM 80 CA ILE A 27 107.576 -5.646 30.099 1.00 11.15 C ATOM 81 C ILE A 27 108.987 -5.611 29.550 1.00 11.94 C ATOM 82 O ILE A 27 109.271 -6.247 28.529 1.00 12.34 O ATOM 83 CB ILE A 27 107.238 -7.076 30.544 1.00 13.16 C ATOM 84 CG1 ILE A 27 105.778 -7.147 30.990 1.00 23.32 C ATOM 85 CG2 ILE A 27 108.183 -7.521 31.675 1.00 14.84 C ATOM 86 CD1 ILE A 27 105.328 -8.533 31.310 1.00 30.44 C ATOM 87 H ILE A 27 106.494 -5.766 28.242 1.00 0.00 H ATOM 88 N GLY A 28 109.884 -4.945 30.278 1.00 14.42 N ATOM 89 CA GLY A 28 111.245 -4.789 29.843 1.00 18.37 C ATOM 90 C GLY A 28 112.169 -5.853 30.377 1.00 14.48 C ATOM 91 O GLY A 28 111.812 -6.692 31.196 1.00 15.63 O ATOM 92 H GLY A 28 109.591 -4.527 31.184 1.00 0.00 H ATOM 93 N GLN A 29 113.422 -5.756 29.915 1.00 17.81 N ATOM 94 CA GLN A 29 114.437 -6.738 30.243 1.00 24.92 C ATOM 95 C GLN A 29 114.724 -6.795 31.731 1.00 21.99 C ATOM 96 O GLN A 29 115.221 -7.822 32.221 1.00 23.20 O ATOM 97 CB GLN A 29 115.751 -6.350 29.553 1.00 28.78 C ATOM 98 CG GLN A 29 115.649 -6.066 28.066 1.00 38.51 C ATOM 99 CD GLN A 29 116.887 -5.365 27.533 1.00 22.85 C ATOM 100 OE1 GLN A 29 118.015 -5.714 27.888 1.00 43.77 O ATOM 101 NE2 GLN A 29 116.678 -4.359 26.680 1.00 29.40 N ATOM 102 HE22 GLN A 29 115.708 -4.100 26.409 1.00 0.00 H ATOM 103 HE21 GLN A 29 117.485 -3.835 26.287 1.00 0.00 H ATOM 104 H GLN A 29 113.674 -4.953 29.304 1.00 0.00 H ATOM 105 N ASP A 30 114.443 -5.707 32.454 1.00 19.48 N ATOM 106 CA ASP A 30 114.642 -5.631 33.891 1.00 20.12 C ATOM 107 C ASP A 30 113.372 -5.871 34.699 1.00 19.80 C ATOM 108 O ASP A 30 113.368 -5.623 35.913 1.00 22.28 O ATOM 109 CB ASP A 30 115.216 -4.262 34.271 1.00 25.16 C ATOM 110 CG ASP A 30 114.258 -3.123 33.970 1.00 25.41 C ATOM 111 OD1 ASP A 30 113.160 -3.367 33.415 1.00 24.90 O ATOM 112 OD2 ASP A 30 114.602 -1.966 34.281 1.00 34.44 O ATOM 113 H ASP A 30 114.063 -4.873 31.963 1.00 0.00 H ATOM 114 N SER A 31 112.303 -6.333 34.060 1.00 18.22 N ATOM 115 CA SER A 31 111.018 -6.659 34.684 1.00 17.17 C ATOM 116 C SER A 31 110.180 -5.416 35.001 1.00 16.91 C ATOM 117 O SER A 31 109.110 -5.555 35.592 1.00 17.68 O ATOM 118 CB SER A 31 111.123 -7.533 35.942 1.00 22.22 C ATOM 119 OG SER A 31 111.530 -8.846 35.617 1.00 45.11 O ATOM 120 HG SER A 31 110.869 -9.253 35.003 1.00 0.00 H ATOM 121 H SER A 31 112.385 -6.475 33.033 1.00 0.00 H ATOM 122 N SER A 32 110.627 -4.221 34.648 1.00 16.65 N ATOM 123 CA SER A 32 109.781 -3.047 34.802 1.00 17.39 C ATOM 124 C SER A 32 108.657 -3.109 33.774 1.00 16.09 C ATOM 125 O SER A 32 108.745 -3.825 32.774 1.00 18.23 O ATOM 126 CB SER A 32 110.595 -1.766 34.593 1.00 19.81 C ATOM 127 OG SER A 32 111.130 -1.694 33.282 1.00 28.31 O ATOM 128 HG SER A 32 111.724 -2.471 33.126 1.00 0.00 H ATOM 129 H SER A 32 111.586 -4.121 34.259 1.00 0.00 H ATOM 130 N GLU A 33 107.601 -2.340 34.020 1.00 16.13 N ATOM 131 CA GLU A 33 106.433 -2.336 33.153 1.00 16.01 C ATOM 132 C GLU A 33 106.011 -0.909 32.829 1.00 16.63 C ATOM 133 O GLU A 33 106.020 -0.044 33.707 1.00 15.64 O ATOM 134 CB GLU A 33 105.246 -3.004 33.862 1.00 20.48 C ATOM 135 CG GLU A 33 105.508 -4.416 34.358 1.00 22.82 C ATOM 136 CD GLU A 33 104.253 -5.085 34.904 1.00 37.88 C ATOM 137 OE1 GLU A 33 104.353 -6.211 35.443 1.00 31.58 O ATOM 138 OE2 GLU A 33 103.165 -4.487 34.790 1.00 41.58 O ATOM 139 H GLU A 33 107.610 -1.723 34.857 1.00 0.00 H ATOM 140 N ILE A 34 105.610 -0.675 31.585 1.00 13.65 N ATOM 141 CA ILE A 34 104.871 0.531 31.203 1.00 11.83 C ATOM 142 C ILE A 34 103.602 0.064 30.499 1.00 10.73 C ATOM 143 O ILE A 34 103.657 -0.831 29.645 1.00 13.66 O ATOM 144 CB ILE A 34 105.690 1.473 30.297 1.00 14.88 C ATOM 145 CG1 ILE A 34 106.978 1.922 30.993 1.00 18.45 C ATOM 146 CG2 ILE A 34 104.849 2.686 29.890 1.00 18.07 C ATOM 147 CD1 ILE A 34 107.864 2.826 30.136 1.00 25.28 C ATOM 148 H ILE A 34 105.830 -1.378 30.851 1.00 0.00 H ATOM 149 N HIS A 35 102.457 0.609 30.874 1.00 12.00 N ATOM 150 CA HIS A 35 101.191 0.276 30.247 1.00 13.71 C ATOM 151 C HIS A 35 100.849 1.328 29.198 1.00 12.40 C ATOM 152 O HIS A 35 101.185 2.514 29.359 1.00 13.45 O ATOM 153 CB HIS A 35 100.041 0.259 31.254 1.00 16.58 C ATOM 154 CG HIS A 35 100.108 -0.859 32.242 1.00 18.94 C ATOM 155 ND1 HIS A 35 100.887 -0.801 33.375 1.00 20.88 N ATOM 156 CD2 HIS A 35 99.482 -2.058 32.274 1.00 18.69 C ATOM 157 CE1 HIS A 35 100.736 -1.916 34.068 1.00 19.01 C ATOM 158 NE2 HIS A 35 99.894 -2.699 33.416 1.00 19.20 N ATOM 159 H HIS A 35 102.464 1.303 31.648 1.00 0.00 H ATOM 160 N PHE A 36 100.182 0.891 28.132 1.00 10.97 N ATOM 161 CA PHE A 36 99.777 1.789 27.064 1.00 12.08 C ATOM 162 C PHE A 36 98.305 1.571 26.775 1.00 14.35 C ATOM 163 O PHE A 36 97.873 0.431 26.593 1.00 15.31 O ATOM 164 CB PHE A 36 100.566 1.546 25.760 1.00 10.47 C ATOM 165 CG PHE A 36 102.012 1.939 25.853 1.00 10.33 C ATOM 166 CD1 PHE A 36 102.929 1.065 26.372 1.00 12.70 C ATOM 167 CD2 PHE A 36 102.440 3.191 25.451 1.00 12.67 C ATOM 168 CE1 PHE A 36 104.271 1.420 26.503 1.00 12.54 C ATOM 169 CE2 PHE A 36 103.773 3.542 25.579 1.00 11.47 C ATOM 170 CZ PHE A 36 104.682 2.649 26.108 1.00 11.41 C ATOM 171 H PHE A 36 99.945 -0.119 28.062 1.00 0.00 H ATOM 172 N LYS A 37 97.547 2.652 26.725 1.00 11.81 N ATOM 173 CA LYS A 37 96.163 2.599 26.258 1.00 12.96 C ATOM 174 C LYS A 37 96.160 2.926 24.769 1.00 14.55 C ATOM 175 O LYS A 37 96.647 3.982 24.356 1.00 15.83 O ATOM 176 CB LYS A 37 95.261 3.548 27.036 1.00 17.07 C ATOM 177 CG LYS A 37 94.895 3.020 28.408 1.00 30.38 C ATOM 178 CD LYS A 37 93.546 3.571 28.864 1.00 49.65 C ATOM 179 CE LYS A 37 93.164 3.065 30.253 1.00 49.85 C ATOM 180 NZ LYS A 37 91.762 3.459 30.618 1.00 55.42 N ATOM 181 HZ1 LYS A 37 91.682 4.496 30.612 1.00 0.00 H ATOM 182 HZ2 LYS A 37 91.098 3.055 29.927 1.00 0.00 H ATOM 183 HZ3 LYS A 37 91.538 3.098 31.567 1.00 0.00 H ATOM 184 H LYS A 37 97.945 3.564 27.026 1.00 0.00 H ATOM 185 N VAL A 38 95.664 1.994 23.964 1.00 13.58 N ATOM 186 CA VAL A 38 95.700 2.086 22.513 1.00 12.67 C ATOM 187 C VAL A 38 94.323 1.752 21.966 1.00 14.40 C ATOM 188 O VAL A 38 93.507 1.075 22.601 1.00 17.62 O ATOM 189 CB VAL A 38 96.732 1.119 21.905 1.00 13.85 C ATOM 190 CG1 VAL A 38 98.108 1.457 22.404 1.00 20.49 C ATOM 191 CG2 VAL A 38 96.361 -0.307 22.260 1.00 16.26 C ATOM 192 H VAL A 38 95.227 1.154 24.394 1.00 0.00 H ATOM 193 N LYS A 39 94.078 2.237 20.760 1.00 13.43 N ATOM 194 CA LYS A 39 92.919 1.820 19.989 1.00 15.32 C ATOM 195 C LYS A 39 93.264 0.563 19.201 1.00 13.13 C ATOM 196 O LYS A 39 94.429 0.284 18.916 1.00 13.27 O ATOM 197 CB LYS A 39 92.531 2.912 19.004 1.00 15.14 C ATOM 198 CG LYS A 39 92.165 4.212 19.689 1.00 26.55 C ATOM 199 CD LYS A 39 91.592 5.219 18.700 1.00 36.00 C ATOM 200 CE LYS A 39 91.062 6.446 19.423 1.00 47.23 C ATOM 201 NZ LYS A 39 90.840 7.580 18.489 1.00 51.58 N ATOM 202 HZ1 LYS A 39 91.739 7.832 18.031 1.00 0.00 H ATOM 203 HZ2 LYS A 39 90.147 7.301 17.765 1.00 0.00 H ATOM 204 HZ3 LYS A 39 90.478 8.398 19.019 1.00 0.00 H ATOM 205 H LYS A 39 94.732 2.935 20.353 1.00 0.00 H ATOM 206 N MET A 40 92.223 -0.167 18.782 1.00 13.58 N ATOM 207 CA MET A 40 92.453 -1.353 17.964 1.00 14.59 C ATOM 208 C MET A 40 93.130 -1.009 16.655 1.00 15.14 C ATOM 209 O MET A 40 93.773 -1.886 16.059 1.00 16.71 O ATOM 210 CB MET A 40 91.128 -2.097 17.767 1.00 16.67 C ATOM 211 CG MET A 40 90.511 -2.575 19.107 1.00 23.65 C ATOM 212 SD MET A 40 91.626 -3.569 20.163 1.00 24.19 S ATOM 213 CE MET A 40 91.779 -4.873 18.979 1.00 17.32 C ATOM 214 H MET A 40 91.254 0.110 19.039 1.00 0.00 H ATOM 215 N THR A 41 93.037 0.259 16.226 1.00 12.61 N ATOM 216 CA THR A 41 93.608 0.757 14.982 1.00 13.22 C ATOM 217 C THR A 41 94.944 1.480 15.154 1.00 15.25 C ATOM 218 O THR A 41 95.491 1.971 14.155 1.00 15.91 O ATOM 219 CB THR A 41 92.607 1.720 14.334 1.00 13.65 C ATOM 220 OG1 THR A 41 92.202 2.705 15.306 1.00 19.00 O ATOM 221 CG2 THR A 41 91.395 0.959 13.856 1.00 19.41 C ATOM 222 HG1 THR A 41 92.997 3.208 15.615 1.00 0.00 H ATOM 223 H THR A 41 92.520 0.935 16.825 1.00 0.00 H ATOM 224 N THR A 42 95.480 1.580 16.364 1.00 13.54 N ATOM 225 CA THR A 42 96.722 2.317 16.570 1.00 14.48 C ATOM 226 C THR A 42 97.881 1.543 15.958 1.00 12.44 C ATOM 227 O THR A 42 98.074 0.366 16.263 1.00 12.66 O ATOM 228 CB THR A 42 96.969 2.504 18.065 1.00 15.09 C ATOM 229 OG1 THR A 42 95.830 3.144 18.670 1.00 17.03 O ATOM 230 CG2 THR A 42 98.191 3.370 18.296 1.00 18.72 C ATOM 231 HG1 THR A 42 95.687 4.028 18.248 1.00 0.00 H ATOM 232 H THR A 42 95.010 1.128 17.174 1.00 0.00 H ATOM 233 N HIS A 43 98.673 2.211 15.110 1.00 12.78 N ATOM 234 CA HIS A 43 99.891 1.588 14.601 1.00 11.75 C ATOM 235 C HIS A 43 100.884 1.394 15.741 1.00 10.04 C ATOM 236 O HIS A 43 101.193 2.335 16.480 1.00 12.42 O ATOM 237 CB HIS A 43 100.527 2.444 13.518 1.00 13.24 C ATOM 238 CG HIS A 43 99.717 2.538 12.269 1.00 14.95 C ATOM 239 ND1 HIS A 43 100.274 2.893 11.063 1.00 23.50 N ATOM 240 CD2 HIS A 43 98.393 2.398 12.054 1.00 15.35 C ATOM 241 CE1 HIS A 43 99.327 2.931 10.143 1.00 18.80 C ATOM 242 NE2 HIS A 43 98.177 2.622 10.713 1.00 19.16 N ATOM 243 H HIS A 43 98.420 3.175 14.813 1.00 0.00 H ATOM 244 N LEU A 44 101.378 0.172 15.902 1.00 9.82 N ATOM 245 CA LEU A 44 102.198 -0.133 17.068 1.00 9.37 C ATOM 246 C LEU A 44 103.558 0.532 17.027 1.00 9.56 C ATOM 247 O LEU A 44 104.214 0.579 18.076 1.00 9.13 O ATOM 248 CB LEU A 44 102.237 -1.632 17.330 1.00 11.81 C ATOM 249 CG LEU A 44 100.893 -2.168 17.858 1.00 12.35 C ATOM 250 CD1 LEU A 44 100.779 -3.665 17.641 1.00 13.53 C ATOM 251 CD2 LEU A 44 100.701 -1.797 19.327 1.00 13.37 C ATOM 252 H LEU A 44 101.180 -0.567 15.197 1.00 0.00 H ATOM 253 N LYS A 45 103.971 1.102 15.891 1.00 10.12 N ATOM 254 CA LYS A 45 105.133 1.998 15.856 1.00 10.09 C ATOM 255 C LYS A 45 105.029 3.031 16.977 1.00 9.65 C ATOM 256 O LYS A 45 106.032 3.390 17.604 1.00 10.55 O ATOM 257 CB LYS A 45 105.269 2.691 14.496 1.00 12.02 C ATOM 258 CG LYS A 45 106.596 3.423 14.317 1.00 15.33 C ATOM 259 CD LYS A 45 106.677 4.170 12.993 1.00 16.72 C ATOM 260 CE LYS A 45 108.077 4.706 12.794 1.00 23.50 C ATOM 261 NZ LYS A 45 108.174 5.413 11.484 1.00 31.45 N ATOM 262 HZ1 LYS A 45 107.950 4.749 10.716 1.00 0.00 H ATOM 263 HZ2 LYS A 45 107.499 6.204 11.468 1.00 0.00 H ATOM 264 HZ3 LYS A 45 109.140 5.777 11.358 1.00 0.00 H ATOM 265 H LYS A 45 103.456 0.906 15.009 1.00 0.00 H TER 266 LYS A 45 ATOM 267 N LEU A 47 103.678 2.860 19.890 1.00 9.36 N ATOM 268 CA LEU A 47 104.000 2.270 21.187 1.00 9.59 C ATOM 269 C LEU A 47 105.495 2.012 21.296 1.00 8.61 C ATOM 270 O LEU A 47 106.123 2.336 22.304 1.00 10.25 O ATOM 271 CB LEU A 47 103.217 0.979 21.361 1.00 10.56 C ATOM 272 CG LEU A 47 103.432 0.182 22.639 1.00 11.17 C ATOM 273 CD1 LEU A 47 102.172 -0.583 23.018 1.00 10.42 C ATOM 274 CD2 LEU A 47 104.607 -0.769 22.479 1.00 11.53 C ATOM 275 HN3 LEU A 47 103.966 2.208 19.133 1.00 0.00 H ATOM 276 HN2 LEU A 47 104.186 3.761 19.785 1.00 0.00 H ATOM 277 HN1 LEU A 47 102.654 3.030 19.832 1.00 0.00 H ATOM 278 N LYS A 48 106.075 1.437 20.237 1.00 9.80 N ATOM 279 CA LYS A 48 107.501 1.128 20.243 1.00 9.64 C ATOM 280 C LYS A 48 108.333 2.403 20.398 1.00 9.02 C ATOM 281 O LYS A 48 109.291 2.441 21.175 1.00 9.26 O ATOM 282 CB LYS A 48 107.869 0.380 18.951 1.00 9.88 C ATOM 283 CG LYS A 48 107.180 -0.971 18.820 1.00 10.64 C ATOM 284 CD LYS A 48 107.723 -1.841 17.685 1.00 10.52 C ATOM 285 CE LYS A 48 107.464 -1.276 16.313 1.00 11.08 C ATOM 286 NZ LYS A 48 108.230 -2.062 15.277 1.00 11.88 N ATOM 287 HZ1 LYS A 48 109.248 -2.006 15.484 1.00 0.00 H ATOM 288 HZ2 LYS A 48 107.924 -3.056 15.301 1.00 0.00 H ATOM 289 HZ3 LYS A 48 108.044 -1.664 14.334 1.00 0.00 H ATOM 290 H LYS A 48 105.503 1.207 19.399 1.00 0.00 H ATOM 291 N GLU A 49 107.981 3.457 19.659 1.00 8.84 N ATOM 292 CA GLU A 49 108.701 4.721 19.752 1.00 11.25 C ATOM 293 C GLU A 49 108.573 5.345 21.131 1.00 10.24 C ATOM 294 O GLU A 49 109.555 5.846 21.691 1.00 11.06 O ATOM 295 CB GLU A 49 108.181 5.714 18.713 1.00 13.90 C ATOM 296 CG GLU A 49 108.521 5.397 17.290 1.00 24.70 C ATOM 297 CD GLU A 49 108.059 6.497 16.348 1.00 47.33 C ATOM 298 OE1 GLU A 49 106.924 7.001 16.524 1.00 36.90 O ATOM 299 OE2 GLU A 49 108.843 6.865 15.451 1.00 55.31 O ATOM 300 H GLU A 49 107.177 3.375 19.004 1.00 0.00 H ATOM 301 N SER A 50 107.368 5.312 21.703 1.00 8.81 N ATOM 302 CA SER A 50 107.167 5.905 23.023 1.00 9.05 C ATOM 303 C SER A 50 107.977 5.160 24.070 1.00 9.90 C ATOM 304 O SER A 50 108.643 5.772 24.919 1.00 11.23 O ATOM 305 CB SER A 50 105.675 5.910 23.378 1.00 12.49 C ATOM 306 OG SER A 50 105.499 6.361 24.717 1.00 13.26 O ATOM 307 HG SER A 50 104.534 6.362 24.940 1.00 0.00 H ATOM 308 H SER A 50 106.571 4.863 21.208 1.00 0.00 H ATOM 309 N TYR A 51 107.899 3.827 24.057 1.00 9.33 N ATOM 310 CA TYR A 51 108.659 3.040 25.006 1.00 8.83 C ATOM 311 C TYR A 51 110.153 3.335 24.888 1.00 8.54 C ATOM 312 O TYR A 51 110.832 3.569 25.891 1.00 10.64 O ATOM 313 CB TYR A 51 108.380 1.557 24.781 1.00 10.59 C ATOM 314 CG TYR A 51 109.071 0.703 25.808 1.00 10.81 C ATOM 315 CD1 TYR A 51 108.444 0.411 27.006 1.00 13.51 C ATOM 316 CD2 TYR A 51 110.361 0.236 25.604 1.00 10.63 C ATOM 317 CE1 TYR A 51 109.079 -0.354 27.967 1.00 15.55 C ATOM 318 CE2 TYR A 51 110.992 -0.515 26.552 1.00 11.95 C ATOM 319 CZ TYR A 51 110.337 -0.812 27.726 1.00 14.10 C ATOM 320 OH TYR A 51 110.950 -1.560 28.704 1.00 17.57 O ATOM 321 HH TYR A 51 110.332 -1.671 29.469 1.00 0.00 H ATOM 322 H TYR A 51 107.289 3.351 23.362 1.00 0.00 H ATOM 323 N ALA A 52 110.675 3.329 23.665 1.00 9.67 N ATOM 324 CA ALA A 52 112.097 3.546 23.462 1.00 9.78 C ATOM 325 C ALA A 52 112.512 4.931 23.919 1.00 11.70 C ATOM 326 O ALA A 52 113.588 5.100 24.496 1.00 11.59 O ATOM 327 CB ALA A 52 112.453 3.321 21.998 1.00 11.84 C ATOM 328 H ALA A 52 110.058 3.167 22.844 1.00 0.00 H ATOM 329 N GLN A 53 111.681 5.934 23.652 1.00 11.44 N ATOM 330 CA GLN A 53 111.964 7.295 24.092 1.00 11.30 C ATOM 331 C GLN A 53 112.130 7.362 25.602 1.00 11.54 C ATOM 332 O GLN A 53 113.036 8.039 26.113 1.00 14.07 O ATOM 333 CB GLN A 53 110.806 8.178 23.655 1.00 12.14 C ATOM 334 CG GLN A 53 111.013 9.642 23.921 1.00 14.99 C ATOM 335 CD GLN A 53 109.748 10.467 23.662 1.00 14.42 C ATOM 336 OE1 GLN A 53 108.638 9.938 23.634 1.00 19.37 O ATOM 337 NE2 GLN A 53 109.926 11.756 23.488 1.00 16.08 N ATOM 338 HE22 GLN A 53 110.885 12.158 23.520 1.00 0.00 H ATOM 339 HE21 GLN A 53 109.108 12.376 23.318 1.00 0.00 H ATOM 340 H GLN A 53 110.810 5.743 23.117 1.00 0.00 H ATOM 341 N ARG A 54 111.280 6.635 26.338 1.00 11.84 N ATOM 342 CA ARG A 54 111.300 6.603 27.799 1.00 10.37 C ATOM 343 C ARG A 54 112.457 5.797 28.355 1.00 10.19 C ATOM 344 O ARG A 54 112.755 5.906 29.549 1.00 15.51 O ATOM 345 CB ARG A 54 109.968 6.044 28.302 1.00 12.21 C ATOM 346 CG ARG A 54 108.849 6.964 27.920 1.00 10.20 C ATOM 347 CD ARG A 54 107.491 6.392 27.975 1.00 13.35 C ATOM 348 NE ARG A 54 106.618 7.391 27.367 1.00 16.18 N ATOM 349 CZ ARG A 54 106.169 8.485 27.987 1.00 14.71 C ATOM 350 NH1 ARG A 54 106.440 8.707 29.263 1.00 17.79 N ATOM 351 NH2 ARG A 54 105.406 9.337 27.335 1.00 15.20 N ATOM 352 HE ARG A 54 106.325 7.240 26.381 1.00 0.00 H ATOM 353 HH12 ARG A 54 106.082 9.565 29.729 1.00 0.00 H ATOM 354 HH11 ARG A 54 107.011 8.024 29.800 1.00 0.00 H ATOM 355 HH22 ARG A 54 105.054 10.191 27.813 1.00 0.00 H ATOM 356 HH21 ARG A 54 105.156 9.156 26.342 1.00 0.00 H ATOM 357 H ARG A 54 110.567 6.062 25.843 1.00 0.00 H ATOM 358 N GLN A 55 113.109 4.995 27.522 1.00 13.24 N ATOM 359 CA GLN A 55 114.320 4.291 27.904 1.00 14.20 C ATOM 360 C GLN A 55 115.565 5.013 27.413 1.00 15.77 C ATOM 361 O GLN A 55 116.684 4.636 27.783 1.00 21.16 O ATOM 362 CB GLN A 55 114.335 2.871 27.333 1.00 14.08 C ATOM 363 CG GLN A 55 113.144 2.018 27.656 1.00 20.73 C ATOM 364 CD GLN A 55 112.775 2.028 29.115 1.00 27.93 C ATOM 365 OE1 GLN A 55 113.636 1.939 29.977 1.00 27.30 O ATOM 366 NE2 GLN A 55 111.479 2.137 29.399 1.00 39.63 N ATOM 367 HE22 GLN A 55 110.783 2.210 28.630 1.00 0.00 H ATOM 368 HE21 GLN A 55 111.163 2.149 30.390 1.00 0.00 H ATOM 369 H GLN A 55 112.738 4.866 26.559 1.00 0.00 H ATOM 370 N GLY A 56 115.403 6.034 26.585 1.00 14.77 N ATOM 371 CA GLY A 56 116.527 6.760 26.047 1.00 14.80 C ATOM 372 C GLY A 56 117.355 6.033 25.002 1.00 16.06 C ATOM 373 O GLY A 56 118.555 6.297 24.894 1.00 18.26 O ATOM 374 H GLY A 56 114.440 6.320 26.316 1.00 0.00 H ATOM 375 N VAL A 57 116.742 5.169 24.197 1.00 14.35 N ATOM 376 CA VAL A 57 117.454 4.411 23.171 1.00 13.20 C ATOM 377 C VAL A 57 116.665 4.489 21.853 1.00 13.38 C ATOM 378 O VAL A 57 115.460 4.754 21.844 1.00 13.75 O ATOM 379 CB VAL A 57 117.633 2.938 23.589 1.00 14.16 C ATOM 380 CG1 VAL A 57 118.369 2.856 24.928 1.00 15.91 C ATOM 381 CG2 VAL A 57 116.275 2.219 23.654 1.00 13.50 C ATOM 382 H VAL A 57 115.717 5.028 24.302 1.00 0.00 H ATOM 383 N PRO A 58 117.340 4.213 20.737 1.00 13.74 N ATOM 384 CA PRO A 58 116.601 4.183 19.464 1.00 14.70 C ATOM 385 C PRO A 58 115.591 3.048 19.435 1.00 14.00 C ATOM 386 O PRO A 58 115.848 1.939 19.922 1.00 13.19 O ATOM 387 CB PRO A 58 117.709 3.968 18.416 1.00 14.86 C ATOM 388 CG PRO A 58 118.974 4.464 19.071 1.00 17.92 C ATOM 389 CD PRO A 58 118.789 4.065 20.533 1.00 15.67 C ATOM 390 N MET A 59 114.417 3.342 18.865 1.00 12.87 N ATOM 391 CA MET A 59 113.355 2.346 18.774 1.00 9.88 C ATOM 392 C MET A 59 113.905 1.034 18.231 1.00 8.31 C ATOM 393 O MET A 59 113.752 -0.023 18.850 1.00 11.42 O ATOM 394 CB MET A 59 112.212 2.859 17.884 1.00 12.55 C ATOM 395 CG MET A 59 110.991 1.946 17.821 1.00 15.49 C ATOM 396 SD MET A 59 109.674 2.461 16.681 1.00 10.47 S ATOM 397 CE MET A 59 110.465 2.271 15.078 1.00 13.52 C ATOM 398 H MET A 59 114.259 4.295 18.481 1.00 0.00 H ATOM 399 N ASN A 60 114.561 1.088 17.074 1.00 11.32 N ATOM 400 CA ASN A 60 114.976 -0.136 16.393 1.00 10.28 C ATOM 401 C ASN A 60 116.203 -0.798 17.006 1.00 11.63 C ATOM 402 O ASN A 60 116.648 -1.822 16.480 1.00 12.15 O ATOM 403 CB ASN A 60 115.180 0.110 14.894 1.00 10.95 C ATOM 404 CG ASN A 60 113.860 0.279 14.157 1.00 13.16 C ATOM 405 OD1 ASN A 60 113.058 -0.637 14.101 1.00 13.06 O ATOM 406 ND2 ASN A 60 113.636 1.464 13.602 1.00 14.28 N ATOM 407 HD22 ASN A 60 114.350 2.216 13.676 1.00 0.00 H ATOM 408 HD21 ASN A 60 112.746 1.640 13.093 1.00 0.00 H ATOM 409 H ASN A 60 114.781 2.012 16.650 1.00 0.00 H ATOM 410 N SER A 61 116.719 -0.284 18.131 1.00 11.80 N ATOM 411 CA SER A 61 117.706 -1.020 18.909 1.00 10.68 C ATOM 412 C SER A 61 117.065 -2.082 19.797 1.00 10.90 C ATOM 413 O SER A 61 117.790 -2.889 20.405 1.00 13.17 O ATOM 414 CB SER A 61 118.527 -0.061 19.785 1.00 11.29 C ATOM 415 OG SER A 61 117.784 0.424 20.910 1.00 13.50 O ATOM 416 HG SER A 61 116.984 0.911 20.590 1.00 0.00 H ATOM 417 H SER A 61 116.410 0.655 18.454 1.00 0.00 H ATOM 418 N LEU A 62 115.748 -2.125 19.816 1.00 10.63 N ATOM 419 CA LEU A 62 114.969 -3.054 20.611 1.00 9.95 C ATOM 420 C LEU A 62 114.173 -3.936 19.660 1.00 12.77 C ATOM 421 O LEU A 62 114.033 -3.638 18.462 1.00 15.28 O ATOM 422 CB LEU A 62 114.034 -2.284 21.555 1.00 10.40 C ATOM 423 CG LEU A 62 114.708 -1.321 22.540 1.00 9.99 C ATOM 424 CD1 LEU A 62 113.696 -0.498 23.247 1.00 14.37 C ATOM 425 CD2 LEU A 62 115.516 -2.071 23.528 1.00 11.50 C ATOM 426 H LEU A 62 115.232 -1.446 19.220 1.00 0.00 H ATOM 427 N ARG A 63 113.624 -5.011 20.197 1.00 10.49 N ATOM 428 CA ARG A 63 112.675 -5.844 19.471 1.00 10.02 C ATOM 429 C ARG A 63 111.510 -6.094 20.412 1.00 8.91 C ATOM 430 O ARG A 63 111.715 -6.363 21.598 1.00 10.23 O ATOM 431 CB ARG A 63 113.282 -7.132 18.935 1.00 10.62 C ATOM 432 CG ARG A 63 113.944 -8.014 19.966 1.00 10.93 C ATOM 433 CD ARG A 63 114.788 -9.109 19.305 1.00 12.06 C ATOM 434 NE ARG A 63 115.449 -9.861 20.359 1.00 12.08 N ATOM 435 CZ ARG A 63 115.158 -11.102 20.744 1.00 13.16 C ATOM 436 NH1 ARG A 63 114.256 -11.841 20.112 1.00 13.50 N ATOM 437 NH2 ARG A 63 115.804 -11.616 21.774 1.00 14.07 N ATOM 438 HE ARG A 63 116.224 -9.383 20.861 1.00 0.00 H ATOM 439 HH12 ARG A 63 114.053 -12.807 20.440 1.00 0.00 H ATOM 440 HH11 ARG A 63 113.752 -11.455 19.289 1.00 0.00 H ATOM 441 HH22 ARG A 63 115.592 -12.584 22.091 1.00 0.00 H ATOM 442 HH21 ARG A 63 116.525 -11.053 22.269 1.00 0.00 H ATOM 443 H ARG A 63 113.878 -5.271 21.171 1.00 0.00 H ATOM 444 N PHE A 64 110.302 -5.882 19.928 1.00 8.50 N ATOM 445 CA PHE A 64 109.078 -5.983 20.706 1.00 8.57 C ATOM 446 C PHE A 64 108.310 -7.215 20.251 1.00 9.66 C ATOM 447 O PHE A 64 107.986 -7.332 19.058 1.00 9.49 O ATOM 448 CB PHE A 64 108.218 -4.732 20.503 1.00 9.73 C ATOM 449 CG PHE A 64 108.819 -3.453 21.043 1.00 9.53 C ATOM 450 CD1 PHE A 64 109.831 -2.792 20.361 1.00 8.95 C ATOM 451 CD2 PHE A 64 108.332 -2.891 22.209 1.00 9.48 C ATOM 452 CE1 PHE A 64 110.372 -1.602 20.835 1.00 10.31 C ATOM 453 CE2 PHE A 64 108.872 -1.687 22.683 1.00 9.34 C ATOM 454 CZ PHE A 64 109.885 -1.052 21.990 1.00 10.37 C ATOM 455 H PHE A 64 110.219 -5.626 18.923 1.00 0.00 H ATOM 456 N LEU A 65 108.023 -8.125 21.171 1.00 9.73 N ATOM 457 CA LEU A 65 107.439 -9.420 20.840 1.00 10.37 C ATOM 458 C LEU A 65 106.067 -9.554 21.481 1.00 11.41 C ATOM 459 O LEU A 65 105.871 -9.186 22.649 1.00 11.62 O ATOM 460 CB LEU A 65 108.326 -10.568 21.311 1.00 10.13 C ATOM 461 CG LEU A 65 109.779 -10.492 20.900 1.00 9.25 C ATOM 462 CD1 LEU A 65 110.540 -11.717 21.410 1.00 12.04 C ATOM 463 CD2 LEU A 65 109.967 -10.398 19.405 1.00 10.67 C ATOM 464 H LEU A 65 108.222 -7.907 22.168 1.00 0.00 H ATOM 465 N PHE A 66 105.127 -10.093 20.713 1.00 9.83 N ATOM 466 CA PHE A 66 103.817 -10.503 21.212 1.00 9.99 C ATOM 467 C PHE A 66 103.695 -11.995 20.942 1.00 10.92 C ATOM 468 O PHE A 66 103.761 -12.427 19.791 1.00 12.25 O ATOM 469 CB PHE A 66 102.683 -9.701 20.561 1.00 11.17 C ATOM 470 CG PHE A 66 101.322 -10.165 20.977 1.00 12.29 C ATOM 471 CD1 PHE A 66 100.966 -10.155 22.305 1.00 12.36 C ATOM 472 CD2 PHE A 66 100.403 -10.612 20.046 1.00 13.82 C ATOM 473 CE1 PHE A 66 99.726 -10.605 22.710 1.00 14.78 C ATOM 474 CE2 PHE A 66 99.142 -11.067 20.456 1.00 13.30 C ATOM 475 CZ PHE A 66 98.810 -11.048 21.776 1.00 13.49 C ATOM 476 H PHE A 66 105.335 -10.230 19.703 1.00 0.00 H ATOM 477 N GLU A 67 103.533 -12.774 22.008 1.00 13.86 N ATOM 478 CA GLU A 67 103.559 -14.229 21.915 1.00 16.33 C ATOM 479 C GLU A 67 104.787 -14.706 21.139 1.00 13.80 C ATOM 480 O GLU A 67 104.717 -15.635 20.328 1.00 18.63 O ATOM 481 CB GLU A 67 102.257 -14.757 21.333 1.00 17.40 C ATOM 482 CG GLU A 67 101.031 -14.384 22.183 1.00 27.87 C ATOM 483 CD GLU A 67 99.697 -14.747 21.533 1.00 41.50 C ATOM 484 OE1 GLU A 67 99.650 -15.004 20.306 1.00 50.69 O ATOM 485 OE2 GLU A 67 98.688 -14.763 22.263 1.00 50.64 O ATOM 486 H GLU A 67 103.383 -12.331 22.937 1.00 0.00 H ATOM 487 N GLY A 68 105.923 -14.058 21.393 1.00 14.56 N ATOM 488 CA GLY A 68 107.179 -14.445 20.795 1.00 16.10 C ATOM 489 C GLY A 68 107.407 -13.965 19.379 1.00 13.67 C ATOM 490 O GLY A 68 108.476 -14.249 18.810 1.00 16.39 O ATOM 491 H GLY A 68 105.905 -13.247 22.043 1.00 0.00 H ATOM 492 N GLN A 69 106.453 -13.264 18.776 1.00 12.90 N ATOM 493 CA GLN A 69 106.560 -12.838 17.387 1.00 11.35 C ATOM 494 C GLN A 69 106.786 -11.333 17.325 1.00 10.50 C ATOM 495 O GLN A 69 106.184 -10.570 18.078 1.00 9.72 O ATOM 496 CB GLN A 69 105.294 -13.178 16.616 1.00 13.93 C ATOM 497 CG GLN A 69 105.010 -14.669 16.547 1.00 19.85 C ATOM 498 CD GLN A 69 105.733 -15.375 15.412 1.00 35.38 C ATOM 499 OE1 GLN A 69 106.523 -14.769 14.677 1.00 37.15 O ATOM 500 NE2 GLN A 69 105.457 -16.666 15.257 1.00 53.70 N ATOM 501 HE22 GLN A 69 104.786 -17.135 15.899 1.00 0.00 H ATOM 502 HE21 GLN A 69 105.912 -17.207 14.494 1.00 0.00 H ATOM 503 H GLN A 69 105.600 -13.011 19.314 1.00 0.00 H ATOM 504 N ARG A 70 107.610 -10.912 16.379 1.00 9.80 N ATOM 505 CA ARG A 70 108.033 -9.522 16.300 1.00 9.90 C ATOM 506 C ARG A 70 106.912 -8.612 15.824 1.00 9.25 C ATOM 507 O ARG A 70 106.248 -8.894 14.819 1.00 11.15 O ATOM 508 CB ARG A 70 109.211 -9.435 15.333 1.00 12.07 C ATOM 509 CG ARG A 70 109.839 -8.067 15.212 1.00 13.25 C ATOM 510 CD ARG A 70 111.063 -8.116 14.327 1.00 14.24 C ATOM 511 NE ARG A 70 112.169 -8.837 14.964 1.00 14.04 N ATOM 512 CZ ARG A 70 113.305 -8.287 15.393 1.00 10.47 C ATOM 513 NH1 ARG A 70 113.521 -6.985 15.262 1.00 11.72 N ATOM 514 NH2 ARG A 70 114.231 -9.067 15.921 1.00 12.23 N ATOM 515 HE ARG A 70 112.058 -9.863 15.092 1.00 0.00 H ATOM 516 HH12 ARG A 70 114.412 -6.569 15.601 1.00 0.00 H ATOM 517 HH11 ARG A 70 112.800 -6.380 14.820 1.00 0.00 H ATOM 518 HH22 ARG A 70 115.124 -8.657 16.261 1.00 0.00 H ATOM 519 HH21 ARG A 70 114.067 -10.091 15.996 1.00 0.00 H ATOM 520 H ARG A 70 107.964 -11.591 15.675 1.00 0.00 H ATOM 521 N ILE A 71 106.750 -7.491 16.506 1.00 9.76 N ATOM 522 CA ILE A 71 105.753 -6.486 16.163 1.00 9.33 C ATOM 523 C ILE A 71 106.353 -5.517 15.144 1.00 9.65 C ATOM 524 O ILE A 71 107.363 -4.854 15.427 1.00 10.40 O ATOM 525 CB ILE A 71 105.276 -5.732 17.416 1.00 10.24 C ATOM 526 CG1 ILE A 71 104.639 -6.705 18.391 1.00 9.78 C ATOM 527 CG2 ILE A 71 104.370 -4.573 17.024 1.00 11.84 C ATOM 528 CD1 ILE A 71 104.368 -6.114 19.733 1.00 12.27 C ATOM 529 H ILE A 71 107.364 -7.318 17.327 1.00 0.00 H ATOM 530 N ALA A 72 105.698 -5.397 13.979 1.00 10.53 N ATOM 531 CA ALA A 72 106.114 -4.472 12.923 1.00 10.25 C ATOM 532 C ALA A 72 105.519 -3.093 13.166 1.00 11.22 C ATOM 533 O ALA A 72 104.528 -2.934 13.877 1.00 10.70 O ATOM 534 CB ALA A 72 105.611 -4.985 11.574 1.00 10.79 C ATOM 535 H ALA A 72 104.857 -5.988 13.819 1.00 0.00 H ATOM 536 N ASP A 73 106.087 -2.092 12.487 1.00 10.55 N ATOM 537 CA ASP A 73 105.658 -0.712 12.709 1.00 11.24 C ATOM 538 C ASP A 73 104.174 -0.523 12.398 1.00 11.77 C ATOM 539 O ASP A 73 103.478 0.207 13.113 1.00 11.01 O ATOM 540 CB ASP A 73 106.458 0.253 11.818 1.00 10.90 C ATOM 541 CG ASP A 73 107.893 0.409 12.236 1.00 14.00 C ATOM 542 OD1 ASP A 73 108.333 -0.238 13.199 1.00 12.97 O ATOM 543 OD2 ASP A 73 108.599 1.219 11.583 1.00 16.42 O ATOM 544 H ASP A 73 106.838 -2.296 11.797 1.00 0.00 H ATOM 545 N ASN A 74 103.684 -1.125 11.318 1.00 10.69 N ATOM 546 CA ASN A 74 102.303 -0.912 10.890 1.00 11.13 C ATOM 547 C ASN A 74 101.352 -2.020 11.340 1.00 10.58 C ATOM 548 O ASN A 74 100.185 -2.023 10.929 1.00 13.65 O ATOM 549 CB ASN A 74 102.217 -0.605 9.392 1.00 13.68 C ATOM 550 CG ASN A 74 102.417 -1.797 8.522 1.00 15.55 C ATOM 551 OD1 ASN A 74 102.501 -2.925 8.982 1.00 15.68 O ATOM 552 ND2 ASN A 74 102.451 -1.556 7.201 1.00 18.79 N ATOM 553 HD22 ASN A 74 102.376 -0.580 6.848 1.00 0.00 H ATOM 554 HD21 ASN A 74 102.552 -2.345 6.531 1.00 0.00 H ATOM 555 H ASN A 74 104.296 -1.760 10.767 1.00 0.00 H ATOM 556 N HIS A 75 101.796 -2.918 12.225 1.00 9.96 N ATOM 557 CA HIS A 75 100.866 -3.812 12.889 1.00 9.95 C ATOM 558 C HIS A 75 99.966 -2.986 13.806 1.00 10.55 C ATOM 559 O HIS A 75 100.372 -1.955 14.334 1.00 11.96 O ATOM 560 CB HIS A 75 101.619 -4.834 13.722 1.00 10.47 C ATOM 561 CG HIS A 75 102.130 -5.991 12.939 1.00 11.93 C ATOM 562 ND1 HIS A 75 103.163 -6.777 13.403 1.00 11.96 N ATOM 563 CD2 HIS A 75 101.780 -6.488 11.731 1.00 14.20 C ATOM 564 CE1 HIS A 75 103.405 -7.728 12.523 1.00 15.59 C ATOM 565 NE2 HIS A 75 102.595 -7.566 11.489 1.00 18.29 N ATOM 566 H HIS A 75 102.812 -2.976 12.438 1.00 0.00 H ATOM 567 N THR A 76 98.750 -3.459 14.013 1.00 11.04 N ATOM 568 CA THR A 76 97.838 -2.858 14.964 1.00 10.05 C ATOM 569 C THR A 76 97.358 -3.933 15.929 1.00 11.72 C ATOM 570 O THR A 76 97.466 -5.123 15.644 1.00 11.32 O ATOM 571 CB THR A 76 96.613 -2.295 14.238 1.00 11.31 C ATOM 572 OG1 THR A 76 95.923 -3.345 13.538 1.00 12.88 O ATOM 573 CG2 THR A 76 97.008 -1.182 13.273 1.00 11.74 C ATOM 574 HG1 THR A 76 95.134 -2.968 13.074 1.00 0.00 H ATOM 575 H THR A 76 98.437 -4.292 13.474 1.00 0.00 H ATOM 576 N PRO A 77 96.770 -3.518 17.052 1.00 10.36 N ATOM 577 CA PRO A 77 96.221 -4.533 17.967 1.00 11.25 C ATOM 578 C PRO A 77 95.195 -5.420 17.301 1.00 11.07 C ATOM 579 O PRO A 77 95.165 -6.618 17.577 1.00 10.85 O ATOM 580 CB PRO A 77 95.655 -3.692 19.109 1.00 10.73 C ATOM 581 CG PRO A 77 96.566 -2.469 19.106 1.00 11.32 C ATOM 582 CD PRO A 77 96.788 -2.179 17.648 1.00 11.31 C ATOM 583 N LYS A 78 94.367 -4.870 16.412 1.00 12.30 N ATOM 584 CA LYS A 78 93.420 -5.702 15.687 1.00 11.52 C ATOM 585 C LYS A 78 94.137 -6.768 14.861 1.00 11.80 C ATOM 586 O LYS A 78 93.769 -7.950 14.890 1.00 12.28 O ATOM 587 CB LYS A 78 92.521 -4.838 14.790 1.00 12.57 C ATOM 588 CG LYS A 78 91.609 -5.608 13.850 1.00 14.05 C ATOM 589 CD LYS A 78 90.729 -6.631 14.550 1.00 15.74 C ATOM 590 CE LYS A 78 89.876 -6.003 15.638 1.00 19.22 C ATOM 591 NZ LYS A 78 88.808 -6.984 16.095 1.00 20.69 N ATOM 592 HZ1 LYS A 78 88.202 -7.236 15.288 1.00 0.00 H ATOM 593 HZ2 LYS A 78 89.263 -7.841 16.469 1.00 0.00 H ATOM 594 HZ3 LYS A 78 88.230 -6.544 16.839 1.00 0.00 H ATOM 595 H LYS A 78 94.399 -3.845 16.237 1.00 0.00 H ATOM 596 N GLU A 79 95.135 -6.367 14.097 1.00 11.50 N ATOM 597 CA GLU A 79 95.798 -7.320 13.212 1.00 12.27 C ATOM 598 C GLU A 79 96.452 -8.438 14.005 1.00 12.97 C ATOM 599 O GLU A 79 96.537 -9.577 13.527 1.00 13.90 O ATOM 600 CB GLU A 79 96.834 -6.590 12.355 1.00 14.09 C ATOM 601 CG GLU A 79 97.459 -7.435 11.257 1.00 12.86 C ATOM 602 CD GLU A 79 98.461 -6.687 10.406 1.00 15.12 C ATOM 603 OE1 GLU A 79 99.177 -7.374 9.625 1.00 17.31 O ATOM 604 OE2 GLU A 79 98.577 -5.435 10.511 1.00 16.60 O ATOM 605 H GLU A 79 95.448 -5.376 14.125 1.00 0.00 H ATOM 606 N LEU A 80 96.930 -8.137 15.192 1.00 11.65 N ATOM 607 CA LEU A 80 97.589 -9.148 16.007 1.00 11.99 C ATOM 608 C LEU A 80 96.629 -9.867 16.949 1.00 13.24 C ATOM 609 O LEU A 80 97.078 -10.766 17.661 1.00 15.47 O ATOM 610 CB LEU A 80 98.744 -8.521 16.793 1.00 13.15 C ATOM 611 CG LEU A 80 99.844 -7.921 15.908 1.00 11.72 C ATOM 612 CD1 LEU A 80 100.967 -7.369 16.761 1.00 13.92 C ATOM 613 CD2 LEU A 80 100.426 -8.896 14.911 1.00 16.02 C ATOM 614 H LEU A 80 96.837 -7.166 15.553 1.00 0.00 H ATOM 615 N GLY A 81 95.335 -9.529 16.935 1.00 11.93 N ATOM 616 CA GLY A 81 94.366 -10.170 17.815 1.00 13.00 C ATOM 617 C GLY A 81 94.569 -9.868 19.280 1.00 14.13 C ATOM 618 O GLY A 81 94.215 -10.692 20.132 1.00 18.46 O ATOM 619 H GLY A 81 95.012 -8.789 16.279 1.00 0.00 H ATOM 620 N MET A 82 95.100 -8.704 19.608 1.00 11.77 N ATOM 621 CA MET A 82 95.365 -8.376 20.995 1.00 12.24 C ATOM 622 C MET A 82 94.079 -8.041 21.739 1.00 15.73 C ATOM 623 O MET A 82 93.087 -7.607 21.161 1.00 17.48 O ATOM 624 CB MET A 82 96.325 -7.195 21.055 1.00 13.41 C ATOM 625 CG MET A 82 97.741 -7.520 20.619 1.00 13.52 C ATOM 626 SD MET A 82 98.723 -6.031 20.447 1.00 13.55 S ATOM 627 CE MET A 82 100.363 -6.723 20.531 1.00 15.73 C ATOM 628 H MET A 82 95.330 -8.015 18.863 1.00 0.00 H ATOM 629 N GLU A 83 94.139 -8.210 23.054 1.00 13.78 N ATOM 630 CA GLU A 83 93.021 -7.976 23.951 1.00 14.95 C ATOM 631 C GLU A 83 93.508 -7.252 25.197 1.00 14.97 C ATOM 632 O GLU A 83 94.701 -7.134 25.451 1.00 13.13 O ATOM 633 CB GLU A 83 92.399 -9.307 24.372 1.00 18.74 C ATOM 634 CG GLU A 83 91.961 -10.182 23.217 1.00 31.64 C ATOM 635 CD GLU A 83 91.284 -11.453 23.691 1.00 50.50 C ATOM 636 OE1 GLU A 83 91.765 -12.039 24.687 1.00 49.34 O ATOM 637 OE2 GLU A 83 90.267 -11.848 23.077 1.00 58.17 O ATOM 638 H GLU A 83 95.039 -8.529 23.466 1.00 0.00 H ATOM 639 N GLU A 84 92.554 -6.804 26.011 1.00 15.93 N ATOM 640 CA GLU A 84 92.872 -6.090 27.240 1.00 14.71 C ATOM 641 C GLU A 84 93.851 -6.874 28.095 1.00 15.35 C ATOM 642 O GLU A 84 93.679 -8.075 28.324 1.00 17.74 O ATOM 643 CB GLU A 84 91.563 -5.861 28.001 1.00 18.43 C ATOM 644 CG GLU A 84 91.728 -5.217 29.367 1.00 24.34 C ATOM 645 CD GLU A 84 92.053 -3.734 29.326 1.00 30.19 C ATOM 646 OE1 GLU A 84 91.927 -3.109 28.258 1.00 23.77 O ATOM 647 OE2 GLU A 84 92.433 -3.189 30.399 1.00 33.64 O ATOM 648 H GLU A 84 91.557 -6.968 25.763 1.00 0.00 H ATOM 649 N GLU A 85 94.889 -6.182 28.550 1.00 13.78 N ATOM 650 CA GLU A 85 95.924 -6.664 29.464 1.00 17.25 C ATOM 651 C GLU A 85 96.929 -7.600 28.809 1.00 15.84 C ATOM 652 O GLU A 85 97.767 -8.180 29.510 1.00 19.09 O ATOM 653 CB GLU A 85 95.360 -7.306 30.733 1.00 20.10 C ATOM 654 CG GLU A 85 94.517 -6.359 31.582 1.00 26.58 C ATOM 655 CD GLU A 85 95.342 -5.430 32.449 1.00 48.76 C ATOM 656 OE1 GLU A 85 96.215 -4.718 31.909 1.00 59.51 O ATOM 657 OE2 GLU A 85 95.108 -5.414 33.679 1.00 63.91 O ATOM 658 H GLU A 85 94.975 -5.198 28.224 1.00 0.00 H ATOM 659 N ASP A 86 96.912 -7.736 27.489 1.00 12.49 N ATOM 660 CA ASP A 86 97.922 -8.546 26.828 1.00 12.41 C ATOM 661 C ASP A 86 99.320 -7.968 27.072 1.00 12.28 C ATOM 662 O ASP A 86 99.508 -6.756 27.231 1.00 13.82 O ATOM 663 CB ASP A 86 97.639 -8.655 25.329 1.00 12.68 C ATOM 664 CG ASP A 86 96.803 -9.880 24.968 1.00 15.73 C ATOM 665 OD1 ASP A 86 96.750 -10.849 25.756 1.00 21.69 O ATOM 666 OD2 ASP A 86 96.207 -9.900 23.877 1.00 16.91 O ATOM 667 H ASP A 86 96.176 -7.263 26.927 1.00 0.00 H ATOM 668 N VAL A 87 100.315 -8.857 27.046 1.00 11.67 N ATOM 669 CA VAL A 87 101.701 -8.542 27.356 1.00 10.78 C ATOM 670 C VAL A 87 102.522 -8.468 26.076 1.00 10.28 C ATOM 671 O VAL A 87 102.450 -9.350 25.207 1.00 11.16 O ATOM 672 CB VAL A 87 102.288 -9.628 28.283 1.00 14.27 C ATOM 673 CG1 VAL A 87 103.807 -9.490 28.360 1.00 17.60 C ATOM 674 CG2 VAL A 87 101.614 -9.580 29.646 1.00 15.21 C ATOM 675 H VAL A 87 100.085 -9.838 26.788 1.00 0.00 H ATOM 676 N ILE A 88 103.323 -7.422 25.974 1.00 10.26 N ATOM 677 CA ILE A 88 104.355 -7.269 24.958 1.00 7.69 C ATOM 678 C ILE A 88 105.678 -7.323 25.707 1.00 9.36 C ATOM 679 O ILE A 88 105.836 -6.643 26.731 1.00 11.12 O ATOM 680 CB ILE A 88 104.212 -5.921 24.234 1.00 10.37 C ATOM 681 CG1 ILE A 88 102.944 -5.881 23.402 1.00 10.55 C ATOM 682 CG2 ILE A 88 105.421 -5.654 23.360 1.00 10.88 C ATOM 683 CD1 ILE A 88 102.610 -4.510 22.855 1.00 14.33 C ATOM 684 H ILE A 88 103.209 -6.655 26.667 1.00 0.00 H ATOM 685 N GLU A 89 106.605 -8.151 25.237 1.00 9.47 N ATOM 686 CA GLU A 89 107.932 -8.242 25.832 1.00 10.24 C ATOM 687 C GLU A 89 108.912 -7.453 25.001 1.00 8.87 C ATOM 688 O GLU A 89 108.850 -7.502 23.766 1.00 11.11 O ATOM 689 CB GLU A 89 108.412 -9.681 25.853 1.00 9.64 C ATOM 690 CG GLU A 89 107.549 -10.652 26.631 1.00 11.78 C ATOM 691 CD GLU A 89 108.195 -12.014 26.595 1.00 14.02 C ATOM 692 OE1 GLU A 89 107.795 -12.833 25.747 1.00 20.97 O ATOM 693 OE2 GLU A 89 109.167 -12.230 27.336 1.00 14.81 O ATOM 694 H GLU A 89 106.376 -8.752 24.420 1.00 0.00 H ATOM 695 N VAL A 90 109.861 -6.793 25.651 1.00 8.78 N ATOM 696 CA VAL A 90 110.890 -6.020 24.964 1.00 8.58 C ATOM 697 C VAL A 90 112.262 -6.618 25.266 1.00 9.70 C ATOM 698 O VAL A 90 112.624 -6.812 26.432 1.00 9.70 O ATOM 699 CB VAL A 90 110.879 -4.540 25.393 1.00 13.77 C ATOM 700 CG1 VAL A 90 111.762 -3.719 24.442 1.00 15.54 C ATOM 701 CG2 VAL A 90 109.469 -3.975 25.457 1.00 18.31 C ATOM 702 H VAL A 90 109.872 -6.828 26.690 1.00 0.00 H ATOM 703 N TYR A 91 113.027 -6.879 24.213 1.00 9.47 N ATOM 704 CA TYR A 91 114.363 -7.432 24.292 1.00 10.31 C ATOM 705 C TYR A 91 115.310 -6.512 23.529 1.00 9.26 C ATOM 706 O TYR A 91 114.893 -5.761 22.636 1.00 10.29 O ATOM 707 CB TYR A 91 114.415 -8.860 23.686 1.00 11.26 C ATOM 708 CG TYR A 91 113.637 -9.894 24.480 1.00 10.53 C ATOM 709 CD1 TYR A 91 112.259 -10.042 24.347 1.00 10.84 C ATOM 710 CD2 TYR A 91 114.294 -10.702 25.378 1.00 15.15 C ATOM 711 CE1 TYR A 91 111.564 -11.003 25.119 1.00 11.00 C ATOM 712 CE2 TYR A 91 113.625 -11.636 26.132 1.00 17.90 C ATOM 713 CZ TYR A 91 112.268 -11.769 26.002 1.00 14.62 C ATOM 714 OH TYR A 91 111.668 -12.732 26.801 1.00 16.19 O ATOM 715 HH TYR A 91 110.693 -12.743 26.627 1.00 0.00 H ATOM 716 H TYR A 91 112.642 -6.673 23.269 1.00 0.00 H ATOM 717 N GLN A 92 116.594 -6.592 23.859 1.00 10.54 N ATOM 718 CA GLN A 92 117.577 -5.946 23.003 1.00 10.78 C ATOM 719 C GLN A 92 117.547 -6.620 21.640 1.00 14.14 C ATOM 720 O GLN A 92 117.330 -7.829 21.531 1.00 12.53 O ATOM 721 CB GLN A 92 118.974 -6.078 23.579 1.00 14.67 C ATOM 722 CG GLN A 92 119.217 -5.289 24.837 1.00 23.38 C ATOM 723 CD GLN A 92 118.984 -3.781 24.680 1.00 18.77 C ATOM 724 OE1 GLN A 92 118.423 -3.147 25.571 1.00 36.42 O ATOM 725 NE2 GLN A 92 119.404 -3.219 23.556 1.00 28.62 N ATOM 726 HE22 GLN A 92 119.874 -3.796 22.830 1.00 0.00 H ATOM 727 HE21 GLN A 92 119.264 -2.200 23.400 1.00 0.00 H ATOM 728 H GLN A 92 116.891 -7.106 24.713 1.00 0.00 H ATOM 729 N GLU A 93 117.815 -5.847 20.592 1.00 11.77 N ATOM 730 CA GLU A 93 117.993 -6.470 19.292 1.00 10.69 C ATOM 731 C GLU A 93 119.147 -7.458 19.327 1.00 13.41 C ATOM 732 O GLU A 93 120.144 -7.268 20.034 1.00 15.30 O ATOM 733 CB GLU A 93 118.255 -5.433 18.216 1.00 13.98 C ATOM 734 CG GLU A 93 118.183 -6.025 16.793 1.00 13.05 C ATOM 735 CD GLU A 93 116.870 -6.759 16.530 1.00 11.86 C ATOM 736 OE1 GLU A 93 116.840 -8.013 16.672 1.00 15.27 O ATOM 737 OE2 GLU A 93 115.909 -6.045 16.230 1.00 16.07 O ATOM 738 H GLU A 93 117.896 -4.816 20.701 1.00 0.00 H ATOM 739 N GLN A 94 119.002 -8.538 18.559 1.00 16.94 N ATOM 740 CA GLN A 94 120.091 -9.496 18.469 1.00 23.66 C ATOM 741 C GLN A 94 121.212 -8.899 17.636 1.00 21.41 C ATOM 742 O GLN A 94 120.998 -8.000 16.818 1.00 26.83 O ATOM 743 CB GLN A 94 119.593 -10.805 17.873 1.00 36.33 C ATOM 744 CG GLN A 94 118.571 -11.488 18.767 1.00 48.86 C ATOM 745 CD GLN A 94 118.046 -12.777 18.174 1.00 56.49 C ATOM 746 OE1 GLN A 94 118.278 -13.076 17.000 1.00 64.04 O ATOM 747 NE2 GLN A 94 117.319 -13.547 18.980 1.00 29.57 N ATOM 748 HE22 GLN A 94 117.149 -13.255 19.964 1.00 0.00 H ATOM 749 HE21 GLN A 94 116.921 -14.440 18.626 1.00 0.00 H ATOM 750 H GLN A 94 118.120 -8.693 18.030 1.00 0.00 H ATOM 751 N THR A 95 122.425 -9.334 17.918 1.00 22.44 N ATOM 752 CA THR A 95 123.584 -8.797 17.227 1.00 24.95 C ATOM 753 C THR A 95 124.319 -9.908 16.499 1.00 28.27 C ATOM 754 O THR A 95 124.034 -11.098 16.674 1.00 34.85 O ATOM 755 CB THR A 95 124.547 -8.122 18.211 1.00 40.02 C ATOM 756 OG1 THR A 95 125.090 -9.124 19.077 1.00 34.75 O ATOM 757 CG2 THR A 95 123.817 -7.069 19.027 1.00 45.38 C ATOM 758 HG1 THR A 95 125.714 -8.701 19.718 1.00 0.00 H ATOM 759 H THR A 95 122.553 -10.069 18.643 1.00 0.00 H ATOM 760 N GLY A 96 125.284 -9.492 15.687 1.00 39.22 N ATOM 761 CA GLY A 96 126.155 -10.409 14.978 1.00 57.55 C ATOM 762 C GLY A 96 127.148 -11.102 15.893 1.00 63.66 C ATOM 763 O GLY A 96 126.762 -11.795 16.836 1.00 64.11 O ATOM 764 H GLY A 96 125.420 -8.469 15.555 1.00 0.00 H TER 765 GLY A 96 HETATM 766 O HOH 1 118.983 -14.569 15.667 1.00 38.28 O HETATM 767 O HOH 2 115.425 -3.963 16.156 1.00 18.41 O HETATM 768 O HOH 3 117.222 -12.133 15.347 1.00 47.05 O HETATM 769 O HOH 4 105.539 8.477 17.501 1.00 35.34 O HETATM 770 O HOH 5 112.567 -10.328 34.224 1.00 35.86 O HETATM 771 O HOH 6 105.462 10.900 30.323 1.00 27.12 O HETATM 772 O HOH 7 118.149 -0.835 25.884 1.00 28.81 O HETATM 773 O HOH 8 89.507 0.631 19.041 1.00 30.63 O HETATM 774 O HOH 9 89.700 -2.632 27.470 1.00 41.03 O HETATM 775 O HOH 10 96.562 -14.104 21.252 1.00 40.34 O HETATM 776 O HOH 11 108.774 -15.171 13.669 1.00 38.44 O HETATM 777 O HOH 12 94.013 -13.161 20.627 1.00 44.58 O HETATM 778 O HOH 13 110.354 -10.134 33.762 1.00 26.54 O HETATM 779 O HOH 14 112.016 -2.068 17.902 1.00 22.14 O HETATM 780 O HOH 15 113.942 5.643 31.818 1.00 38.47 O HETATM 781 O HOH 16 102.092 -7.406 35.143 1.00 41.50 O HETATM 782 O HOH 17 91.733 -0.716 30.556 1.00 39.35 O HETATM 783 O HOH 18 112.092 6.084 32.033 1.00 23.30 O HETATM 784 O HOH 19 115.156 -9.237 34.401 1.00 31.39 O HETATM 785 O HOH 20 117.578 2.797 29.390 1.00 43.37 O HETATM 786 O HOH 21 91.865 -4.166 32.764 1.00 41.08 O HETATM 787 O HOH 22 111.173 5.664 15.422 1.00 38.93 O HETATM 788 O HOH 23 91.323 -8.666 19.493 1.00 38.49 O HETATM 789 O HOH 24 121.548 -5.068 20.489 1.00 30.00 O HETATM 790 O HOH 25 100.562 -6.998 7.398 1.00 30.66 O HETATM 791 O HOH 26 114.179 7.001 21.262 1.00 24.50 O HETATM 792 O HOH 27 111.077 2.132 11.837 1.00 17.06 O HETATM 793 O HOH 28 103.533 -11.703 24.633 1.00 18.17 O HETATM 794 O HOH 29 99.219 -10.020 9.825 1.00 22.86 O HETATM 795 O HOH 30 87.322 -1.124 17.830 1.00 36.07 O HETATM 796 O HOH 31 106.331 -12.237 23.598 1.00 13.51 O HETATM 797 O HOH 32 95.054 2.680 11.599 1.00 33.20 O HETATM 798 O HOH 33 116.336 -4.125 14.378 1.00 22.12 O HETATM 799 O HOH 34 114.878 9.797 25.179 1.00 27.75 O HETATM 800 O HOH 35 93.779 4.912 15.298 1.00 25.82 O HETATM 801 O HOH 36 113.542 -4.656 38.445 1.00 46.41 O HETATM 802 O HOH 37 88.906 -10.186 21.414 1.00 49.42 O HETATM 803 O HOH 38 110.769 -1.226 12.496 1.00 15.64 O HETATM 804 O HOH 39 110.817 -1.462 15.883 1.00 22.21 O HETATM 805 O HOH 40 97.725 -10.528 30.907 1.00 31.88 O HETATM 806 O HOH 41 113.706 -3.217 14.783 1.00 31.33 O HETATM 807 O HOH 42 104.656 -4.054 7.685 1.00 19.82 O HETATM 808 O HOH 43 118.205 -9.934 15.238 1.00 27.87 O HETATM 809 O HOH 44 110.702 6.469 11.143 1.00 41.89 O HETATM 810 O HOH 45 109.205 -1.848 30.826 1.00 27.69 O HETATM 811 O HOH 46 102.891 -8.890 9.075 1.00 36.48 O HETATM 812 O HOH 47 95.165 -12.101 22.549 1.00 21.73 O HETATM 813 O HOH 48 91.444 -9.719 28.396 1.00 40.29 O HETATM 814 O HOH 49 121.985 -5.398 16.712 1.00 38.50 O HETATM 815 O HOH 50 98.536 -0.196 9.602 1.00 21.12 O HETATM 816 O HOH 51 113.168 -8.959 28.145 1.00 19.98 O HETATM 817 O HOH 52 91.968 -12.344 20.418 1.00 40.78 O HETATM 818 O HOH 53 107.291 2.852 9.713 1.00 27.67 O HETATM 819 O HOH 54 96.297 -3.509 10.756 1.00 16.90 O HETATM 820 O HOH 55 111.702 6.765 20.124 1.00 22.58 O HETATM 821 O HOH 56 104.553 7.599 19.870 1.00 27.63 O HETATM 822 O HOH 57 117.235 -12.986 23.791 1.00 20.80 O HETATM 823 O HOH 58 103.675 -10.056 15.062 1.00 35.93 O HETATM 824 O HOH 59 103.113 2.968 11.000 1.00 36.33 O HETATM 825 O HOH 60 89.842 -6.932 25.120 1.00 25.61 O HETATM 826 O HOH 61 120.649 -3.097 20.437 1.00 33.02 O HETATM 827 O HOH 62 109.079 -12.652 14.630 1.00 23.39 O HETATM 828 O HOH 63 107.532 -0.929 36.520 1.00 21.81 O HETATM 829 O HOH 64 111.074 0.898 32.028 1.00 43.18 O HETATM 830 O HOH 65 95.157 -10.803 28.171 1.00 30.31 O HETATM 831 O HOH 66 95.190 5.634 17.323 1.00 32.59 O HETATM 832 O HOH 67 99.469 -12.241 16.923 1.00 31.21 O HETATM 833 O HOH 68 109.766 -5.049 17.197 1.00 10.28 O HETATM 834 O HOH 69 99.325 -11.608 26.867 1.00 24.45 O HETATM 835 O HOH 70 87.804 -5.925 18.609 1.00 35.68 O HETATM 836 O HOH 71 117.913 -10.115 23.249 1.00 19.59 O HETATM 837 O HOH 72 98.295 -11.910 13.503 1.00 38.05 O HETATM 838 O HOH 73 104.853 7.165 14.469 1.00 47.95 O HETATM 839 O HOH 74 96.261 -13.226 19.015 1.00 32.18 O HETATM 840 O HOH 75 98.142 5.022 14.495 1.00 19.53 O HETATM 841 O HOH 76 111.521 -4.856 14.998 1.00 22.10 O HETATM 842 O HOH 77 117.456 -8.613 25.816 1.00 19.13 O HETATM 843 O HOH 78 117.055 -9.368 30.516 1.00 22.22 O HETATM 844 O HOH 79 113.740 6.092 18.050 1.00 25.61 O HETATM 845 O HOH 80 107.537 -8.398 12.213 1.00 20.20 O HETATM 846 O HOH 81 95.822 2.982 8.970 1.00 25.02 O HETATM 847 O HOH 82 113.536 -0.033 36.244 1.00 44.69 O HETATM 848 O HOH 83 115.273 3.497 15.486 1.00 20.93 O HETATM 849 O HOH 84 108.037 -2.653 10.295 1.00 11.66 O HETATM 850 O HOH 85 122.364 -11.931 19.434 1.00 44.14 O HETATM 851 O HOH 86 120.331 -9.373 22.207 1.00 33.52 O HETATM 852 O HOH 87 105.649 -1.862 9.095 1.00 13.53 O HETATM 853 O HOH 88 107.337 8.789 21.109 1.00 28.21 O HETATM 854 O HOH 89 107.236 -18.552 13.622 1.00 37.62 O HETATM 855 O HOH 90 114.550 -2.545 30.789 1.00 31.14 O HETATM 856 O HOH 91 93.354 -1.925 12.577 1.00 18.56 O HETATM 857 O HOH 92 89.246 0.328 28.083 1.00 50.33 O HETATM 858 O HOH 93 89.461 2.086 16.783 1.00 33.37 O HETATM 859 O HOH 94 113.817 -2.663 27.771 1.00 27.93 O HETATM 860 O HOH 95 109.757 -3.952 13.174 1.00 16.72 O HETATM 861 O HOH 96 101.544 1.600 6.793 1.00 35.55 O HETATM 862 O HOH 97 101.966 -4.313 5.433 1.00 19.97 O HETATM 863 O HOH 98 111.747 -3.704 38.075 1.00 43.66 O HETATM 864 O HOH 99 95.725 5.143 12.950 1.00 33.66 O HETATM 865 O HOH 100 118.396 7.155 29.361 1.00 37.70 O HETATM 866 O HOH 101 115.728 3.429 32.429 1.00 46.68 O HETATM 867 O HOH 102 102.700 -0.688 3.739 1.00 35.65 O HETATM 868 O HOH 103 105.784 -0.137 7.137 1.00 33.68 O HETATM 869 O HOH 104 94.008 0.088 11.414 1.00 29.37 O HETATM 870 O HOH 105 102.767 -1.546 36.981 1.00 37.08 O HETATM 871 O HOH 106 100.172 6.124 12.934 1.00 29.31 O HETATM 872 O HOH 107 111.653 4.705 12.802 1.00 28.51 O HETATM 873 O HOH 108 119.534 -7.684 30.751 1.00 48.10 O HETATM 874 O HOH 109 93.589 -14.483 22.423 1.00 39.03 O HETATM 875 O HOH 110 110.730 3.229 9.163 1.00 25.54 O HETATM 876 O HOH 111 110.470 -1.603 9.737 1.00 16.00 O HETATM 877 O HOH 112 119.812 -8.860 26.559 1.00 35.70 O HETATM 878 O HOH 113 118.354 -5.394 32.541 1.00 42.13 O HETATM 879 O HOH 114 115.817 -0.515 27.158 1.00 32.88 O HETATM 880 O HOH 115 87.931 -3.087 15.907 1.00 20.76 O HETATM 881 O HOH 116 89.187 -7.961 20.324 1.00 43.57 O HETATM 882 O HOH 117 99.137 0.721 7.089 1.00 24.67 O HETATM 883 O HOH 118 102.910 5.303 13.234 1.00 32.68 O HETATM 884 O HOH 119 95.774 -0.746 9.888 1.00 24.65 O HETATM 885 O HOH 120 102.637 -11.540 12.985 1.00 42.00 O HETATM 886 O HOH 121 110.781 9.452 19.761 1.00 42.30 O HETATM 887 O HOH 122 115.071 9.004 22.217 1.00 43.11 O HETATM 888 O HOH 123 120.537 -12.129 21.445 1.00 44.67 O HETATM 889 O HOH 124 100.528 -13.622 26.027 1.00 46.73 O HETATM 890 O HOH 125 88.334 -4.824 26.376 1.00 36.22 O HETATM 891 O HOH 126 97.525 7.103 16.395 1.00 42.22 O HETATM 892 O HOH 127 104.972 2.950 9.577 1.00 35.20 O HETATM 893 O HOH 128 123.034 -5.880 23.423 1.00 39.21 O HETATM 894 O HOH 129 100.571 -11.574 11.941 1.00 38.68 O HETATM 895 O HOH 130 114.777 -5.222 40.211 1.00 44.27 O HETATM 896 O HOH 131 111.134 -5.734 39.883 1.00 52.40 O HETATM 897 O HOH 132 107.364 -2.594 38.619 1.00 38.31 O HETATM 898 O HOH 133 121.949 -8.398 24.349 1.00 41.20 O HETATM 899 O HOH 134 87.056 -3.699 19.707 1.00 37.02 O HETATM 900 O HOH 135 107.335 1.771 43.466 1.00 38.95 O HETATM 901 O HOH 136 97.637 -0.531 34.738 1.00 31.73 O HETATM 902 O HOH 137 101.160 6.752 41.637 1.00 42.19 O HETATM 903 O HOH 138 105.743 1.185 36.306 1.00 21.45 O HETATM 904 O HOH 139 98.976 9.147 30.855 1.00 39.26 O HETATM 905 O HOH 140 98.233 5.184 37.271 1.00 30.67 O HETATM 906 O HOH 141 102.845 6.768 45.007 1.00 29.84 O HETATM 907 O HOH 142 100.792 9.299 30.774 1.00 20.90 O HETATM 908 O HOH 143 101.181 3.749 41.292 1.00 25.07 O HETATM 909 O HOH 144 103.171 0.401 35.084 1.00 17.39 O HETATM 910 O HOH 145 109.243 -1.971 41.089 1.00 44.26 O HETATM 911 O HOH 146 110.258 1.264 36.704 1.00 43.10 O HETATM 912 O HOH 147 97.167 7.601 32.006 1.00 39.57 O HETATM 913 O HOH 148 99.806 -1.686 37.665 1.00 47.67 O HETATM 914 O HOH 149 111.942 1.793 35.112 1.00 42.91 O HETATM 915 O HOH 150 112.472 3.493 32.946 1.00 38.70 O HETATM 916 O HOH 151 102.564 4.278 43.787 1.00 30.48 O HETATM 917 N ALA A 152 108.139 0.670 42.004 1.00 0.24 N HETATM 918 CA ALA A 152 107.856 1.671 40.957 1.00 0.06 C HETATM 919 C ALA A 152 106.353 1.966 40.921 1.00 0.23 C HETATM 920 O ALA A 152 105.538 1.086 41.165 1.00 -0.39 O HETATM 921 N ALA A 152 105.997 3.210 40.598 1.00 -0.26 N HETATM 922 CA ALA A 152 104.601 3.578 40.433 1.00 0.13 C HETATM 923 C ALA A 152 104.057 3.056 39.109 1.00 0.20 C HETATM 924 O ALA A 152 104.800 2.782 38.160 1.00 -0.39 O HETATM 925 N ALA A 152 102.738 2.902 39.060 1.00 -0.26 N HETATM 926 CA ALA A 152 102.063 2.547 37.818 1.00 0.13 C HETATM 927 C ALA A 152 102.228 3.649 36.785 1.00 0.20 C HETATM 928 O ALA A 152 102.130 4.837 37.089 1.00 -0.39 O HETATM 929 N ALA A 152 102.473 3.240 35.546 1.00 -0.26 N HETATM 930 CA ALA A 152 102.697 4.155 34.437 1.00 0.13 C HETATM 931 C ALA A 152 101.798 3.708 33.287 1.00 0.20 C HETATM 932 O ALA A 152 101.980 2.612 32.746 1.00 -0.39 O HETATM 933 N ALA A 152 100.834 4.550 32.926 1.00 -0.26 N HETATM 934 CA ALA A 152 99.953 4.340 31.782 1.00 0.13 C HETATM 935 C ALA A 152 100.129 5.535 30.848 1.00 0.20 C HETATM 936 O ALA A 152 99.972 6.694 31.260 1.00 -0.39 O HETATM 937 N ALA A 152 100.468 5.249 29.596 1.00 -0.26 N HETATM 938 CA ALA A 152 100.580 6.247 28.534 1.00 0.13 C HETATM 939 C ALA A 152 99.429 6.028 27.567 1.00 0.20 C HETATM 940 O ALA A 152 99.213 4.907 27.099 1.00 -0.39 O HETATM 941 N ALA A 152 98.690 7.090 27.281 1.00 -0.26 N HETATM 942 CA ALA A 152 97.596 7.016 26.317 1.00 0.13 C HETATM 943 C ALA A 152 98.123 7.439 24.953 1.00 0.20 C HETATM 944 O ALA A 152 98.707 8.518 24.812 1.00 -0.39 O HETATM 945 N ALA A 152 97.942 6.586 23.959 1.00 -0.27 N HETATM 946 CA ALA A 152 98.370 6.915 22.601 1.00 0.09 C HETATM 947 C ALA A 152 97.175 7.395 21.776 1.00 0.06 C HETATM 948 O ALA A 152 96.120 6.765 21.788 1.00 -0.57 O HETATM 949 OXT ALA A 152 97.261 8.414 21.095 1.00 -0.57 O HETATM 950 CB ALA A 152 99.038 5.707 21.938 1.00 -0.02 C HETATM 951 CG ALA A 152 100.309 5.225 22.640 1.00 -0.04 C HETATM 952 CD1 ALA A 152 100.859 3.985 22.004 1.00 -0.06 C HETATM 953 H69 ALA A 152 101.769 3.673 22.537 1.00 0.02 H HETATM 954 H70 ALA A 152 101.103 4.190 20.951 1.00 0.02 H HETATM 955 H71 ALA A 152 100.109 3.182 22.057 1.00 0.02 H HETATM 956 CD2 ALA A 152 101.399 6.308 22.692 1.00 -0.06 C HETATM 957 H72 ALA A 152 100.991 7.216 23.160 1.00 0.02 H HETATM 958 H73 ALA A 152 101.734 6.540 21.670 1.00 0.02 H HETATM 959 H74 ALA A 152 102.251 5.942 23.283 1.00 0.02 H HETATM 960 H68 ALA A 152 100.035 4.978 23.676 1.00 0.03 H HETATM 961 H66 ALA A 152 99.298 5.981 20.905 1.00 0.03 H HETATM 962 H67 ALA A 152 98.316 4.878 21.926 1.00 0.03 H HETATM 963 H65 ALA A 152 99.106 7.731 22.655 1.00 0.07 H HETATM 964 H64 ALA A 152 97.506 5.704 24.139 1.00 0.19 H HETATM 965 CB ALA A 152 96.426 7.911 26.762 1.00 -0.01 C HETATM 966 CG1 ALA A 152 95.279 7.780 25.780 1.00 -0.06 C HETATM 967 H58 ALA A 152 94.445 8.421 26.102 1.00 0.02 H HETATM 968 H59 ALA A 152 94.944 6.733 25.745 1.00 0.02 H HETATM 969 H60 ALA A 152 95.615 8.091 24.780 1.00 0.02 H HETATM 970 CG2 ALA A 152 96.009 7.559 28.186 1.00 -0.06 C HETATM 971 H61 ALA A 152 96.872 7.669 28.859 1.00 0.02 H HETATM 972 H62 ALA A 152 95.650 6.520 28.217 1.00 0.02 H HETATM 973 H63 ALA A 152 95.204 8.235 28.510 1.00 0.02 H HETATM 974 H57 ALA A 152 96.764 8.958 26.755 1.00 0.03 H HETATM 975 H56 ALA A 152 97.239 5.977 26.256 1.00 0.08 H HETATM 976 H55 ALA A 152 98.885 7.960 27.735 1.00 0.19 H HETATM 977 CB ALA A 152 101.917 6.085 27.802 1.00 -0.00 C HETATM 978 CG1 ALA A 152 103.056 6.381 28.770 1.00 -0.05 C HETATM 979 CD1 ALA A 152 104.395 5.849 28.304 1.00 -0.06 C HETATM 980 H52 ALA A 152 105.167 6.097 29.047 1.00 0.02 H HETATM 981 H53 ALA A 152 104.655 6.306 27.338 1.00 0.02 H HETATM 982 H54 ALA A 152 104.335 4.757 28.188 1.00 0.02 H HETATM 983 H47 ALA A 152 102.817 5.922 29.741 1.00 0.03 H HETATM 984 H48 ALA A 152 103.137 7.471 28.890 1.00 0.03 H HETATM 985 CG2 ALA A 152 101.973 6.994 26.569 1.00 -0.06 C HETATM 986 H49 ALA A 152 101.138 6.751 25.896 1.00 0.02 H HETATM 987 H50 ALA A 152 102.926 6.838 26.042 1.00 0.02 H HETATM 988 H51 ALA A 152 101.896 8.045 26.884 1.00 0.02 H HETATM 989 H46 ALA A 152 102.009 5.042 27.464 1.00 0.03 H HETATM 990 H45 ALA A 152 100.519 7.258 28.964 1.00 0.08 H HETATM 991 H44 ALA A 152 100.658 4.294 29.366 1.00 0.19 H HETATM 992 CB ALA A 152 98.482 4.183 32.196 1.00 -0.00 C HETATM 993 CG1 ALA A 152 98.307 3.030 33.191 1.00 -0.05 C HETATM 994 CD1 ALA A 152 96.926 2.970 33.853 1.00 -0.06 C HETATM 995 H41 ALA A 152 96.889 2.118 34.547 1.00 0.02 H HETATM 996 H42 ALA A 152 96.154 2.846 33.080 1.00 0.02 H HETATM 997 H43 ALA A 152 96.744 3.903 34.407 1.00 0.02 H HETATM 998 H36 ALA A 152 99.063 3.140 33.982 1.00 0.03 H HETATM 999 H37 ALA A 152 98.473 2.084 32.654 1.00 0.03 H HETATM 1000 CG2 ALA A 152 97.624 3.929 30.969 1.00 -0.06 C HETATM 1001 H38 ALA A 152 97.750 4.757 30.256 1.00 0.02 H HETATM 1002 H39 ALA A 152 96.568 3.861 31.268 1.00 0.02 H HETATM 1003 H40 ALA A 152 97.933 2.986 30.494 1.00 0.02 H HETATM 1004 H35 ALA A 152 98.151 5.116 32.676 1.00 0.03 H HETATM 1005 H34 ALA A 152 100.262 3.423 31.259 1.00 0.08 H HETATM 1006 H33 ALA A 152 100.705 5.378 33.472 1.00 0.19 H HETATM 1007 CB ALA A 152 104.160 4.126 34.008 1.00 -0.01 C HETATM 1008 CG ALA A 152 105.113 4.683 35.060 1.00 -0.02 C HETATM 1009 CD ALA A 152 106.543 4.563 34.606 1.00 0.06 C HETATM 1010 NE ALA A 152 107.037 3.200 34.610 1.00 -0.27 N HETATM 1011 CZ ALA A 152 108.234 2.851 34.164 1.00 0.29 C HETATM 1012 NH1 ALA A 152 109.051 3.771 33.679 1.00 -0.28 N HETATM 1013 H29 ALA A 152 109.982 3.501 33.332 1.00 0.26 H HETATM 1014 H30 ALA A 152 108.756 4.757 33.649 1.00 0.26 H HETATM 1015 NH2 ALA A 152 108.615 1.587 34.196 1.00 -0.28 N HETATM 1016 H31 ALA A 152 107.982 0.868 34.573 1.00 0.26 H HETATM 1017 H32 ALA A 152 109.546 1.321 33.844 1.00 0.26 H HETATM 1018 H28 ALA A 152 106.422 2.461 34.981 1.00 0.26 H HETATM 1019 H26 ALA A 152 107.174 5.164 35.278 1.00 0.07 H HETATM 1020 H27 ALA A 152 106.618 4.958 33.582 1.00 0.07 H HETATM 1021 H24 ALA A 152 104.984 4.121 35.997 1.00 0.03 H HETATM 1022 H25 ALA A 152 104.878 5.744 35.234 1.00 0.03 H HETATM 1023 H22 ALA A 152 104.266 4.724 33.091 1.00 0.03 H HETATM 1024 H23 ALA A 152 104.442 3.083 33.800 1.00 0.03 H HETATM 1025 H21 ALA A 152 102.431 5.178 34.741 1.00 0.08 H HETATM 1026 H20 ALA A 152 102.505 2.257 35.366 1.00 0.19 H HETATM 1027 CB ALA A 152 100.576 2.338 38.087 1.00 -0.00 C HETATM 1028 CG ALA A 152 99.783 1.799 36.907 1.00 0.00 C HETATM 1029 CD ALA A 152 98.300 1.624 37.223 1.00 0.04 C HETATM 1030 OE1 ALA A 152 97.659 2.585 37.705 1.00 -0.57 O HETATM 1031 OE2 ALA A 152 97.779 0.510 36.999 1.00 -0.57 O HETATM 1032 H18 ALA A 152 100.199 0.822 36.620 1.00 0.04 H HETATM 1033 H19 ALA A 152 99.883 2.501 36.066 1.00 0.04 H HETATM 1034 H16 ALA A 152 100.142 3.306 38.377 1.00 0.03 H HETATM 1035 H17 ALA A 152 100.476 1.627 38.920 1.00 0.03 H HETATM 1036 H15 ALA A 152 102.498 1.616 37.426 1.00 0.08 H HETATM 1037 H14 ALA A 152 102.198 3.032 39.892 1.00 0.19 H HETATM 1038 CB ALA A 152 104.440 5.096 40.483 1.00 -0.00 C HETATM 1039 CG ALA A 152 105.022 5.729 41.732 1.00 0.00 C HETATM 1040 CD ALA A 152 104.398 7.061 42.101 1.00 0.04 C HETATM 1041 OE1 ALA A 152 103.564 7.595 41.339 1.00 -0.57 O HETATM 1042 OE2 ALA A 152 104.755 7.549 43.203 1.00 -0.57 O HETATM 1043 H12 ALA A 152 106.099 5.885 41.570 1.00 0.04 H HETATM 1044 H13 ALA A 152 104.874 5.034 42.572 1.00 0.04 H HETATM 1045 H10 ALA A 152 103.367 5.333 40.441 1.00 0.03 H HETATM 1046 H11 ALA A 152 104.945 5.528 39.607 1.00 0.03 H HETATM 1047 H9 ALA A 152 104.022 3.132 41.255 1.00 0.08 H HETATM 1048 H8 ALA A 152 106.705 3.904 40.467 1.00 0.19 H HETATM 1049 CB ALA A 152 108.330 1.183 39.620 1.00 -0.00 C HETATM 1050 H5 ALA A 152 108.111 1.941 38.854 1.00 0.03 H HETATM 1051 H6 ALA A 152 107.812 0.246 39.367 1.00 0.03 H HETATM 1052 H7 ALA A 152 109.415 1.004 39.658 1.00 0.03 H HETATM 1053 H4 ALA A 152 108.393 2.600 41.201 1.00 0.11 H HETATM 1054 H1 ALA A 152 109.128 0.477 42.026 1.00 0.20 H HETATM 1055 H2 ALA A 152 107.636 -0.179 41.801 1.00 0.20 H HETATM 1056 H3 ALA A 152 107.847 1.028 42.900 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 267 268 275 276 277 CONECT 275 267 CONECT 276 267 CONECT 277 267 CONECT 917 918 1054 1055 1056 CONECT 918 917 919 1049 1053 CONECT 919 918 920 921 CONECT 920 919 CONECT 921 919 922 1048 CONECT 922 921 923 1038 1047 CONECT 923 922 924 925 CONECT 924 923 CONECT 925 923 926 1037 CONECT 926 925 927 1027 1036 CONECT 927 926 928 929 CONECT 928 927 CONECT 929 927 930 1026 CONECT 930 929 931 1007 1025 CONECT 931 930 932 933 CONECT 932 931 CONECT 933 931 934 1006 CONECT 934 933 935 992 1005 CONECT 935 934 936 937 CONECT 936 935 CONECT 937 935 938 991 CONECT 938 937 939 977 990 CONECT 939 938 940 941 CONECT 940 939 CONECT 941 939 942 976 CONECT 942 941 943 965 975 CONECT 943 942 944 945 CONECT 944 943 CONECT 945 943 946 964 CONECT 946 945 947 950 963 CONECT 947 946 948 949 CONECT 948 947 CONECT 949 947 CONECT 950 946 951 961 962 CONECT 951 950 952 956 960 CONECT 952 951 953 954 955 CONECT 953 952 CONECT 954 952 CONECT 955 952 CONECT 956 951 957 958 959 CONECT 957 956 CONECT 958 956 CONECT 959 956 CONECT 960 951 CONECT 961 950 CONECT 962 950 CONECT 963 946 CONECT 964 945 CONECT 965 942 966 970 974 CONECT 966 965 967 968 969 CONECT 967 966 CONECT 968 966 CONECT 969 966 CONECT 970 965 971 972 973 CONECT 971 970 CONECT 972 970 CONECT 973 970 CONECT 974 965 CONECT 975 942 CONECT 976 941 CONECT 977 938 978 985 989 CONECT 978 977 979 983 984 CONECT 979 978 980 981 982 CONECT 980 979 CONECT 981 979 CONECT 982 979 CONECT 983 978 CONECT 984 978 CONECT 985 977 986 987 988 CONECT 986 985 CONECT 987 985 CONECT 988 985 CONECT 989 977 CONECT 990 938 CONECT 991 937 CONECT 992 934 993 1000 1004 CONECT 993 992 994 998 999 CONECT 994 993 995 996 997 CONECT 995 994 CONECT 996 994 CONECT 997 994 CONECT 998 993 CONECT 999 993 CONECT 1000 992 1001 1002 1003 CONECT 1001 1000 CONECT 1002 1000 CONECT 1003 1000 CONECT 1004 992 CONECT 1005 934 CONECT 1006 933 CONECT 1007 930 1008 1023 1024 CONECT 1008 1007 1009 1021 1022 CONECT 1009 1008 1010 1019 1020 CONECT 1010 1009 1011 1018 CONECT 1011 1010 1012 1015 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 CONECT 1015 1011 1016 1017 CONECT 1016 1015 CONECT 1017 1015 CONECT 1018 1010 CONECT 1019 1009 CONECT 1020 1009 CONECT 1021 1008 CONECT 1022 1008 CONECT 1023 1007 CONECT 1024 1007 CONECT 1025 930 CONECT 1026 929 CONECT 1027 926 1028 1034 1035 CONECT 1028 1027 1029 1032 1033 CONECT 1029 1028 1030 1031 CONECT 1030 1029 CONECT 1031 1029 CONECT 1032 1028 CONECT 1033 1028 CONECT 1034 1027 CONECT 1035 1027 CONECT 1036 926 CONECT 1037 925 CONECT 1038 922 1039 1045 1046 CONECT 1039 1038 1040 1043 1044 CONECT 1040 1039 1041 1042 CONECT 1041 1040 CONECT 1042 1040 CONECT 1043 1039 CONECT 1044 1039 CONECT 1045 1038 CONECT 1046 1038 CONECT 1047 922 CONECT 1048 921 CONECT 1049 918 1050 1051 1052 CONECT 1050 1049 CONECT 1051 1049 CONECT 1052 1049 CONECT 1053 918 CONECT 1054 917 CONECT 1055 917 CONECT 1056 917 MASTER 0 0 0 0 0 0 0 0 1054 2 148 6 END
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Related entries of code: 6uyz
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6uyx
RCSB PDB
PDBbind
17aa, >6UYX_2|Chains... *
6uyy
RCSB PDB
PDBbind
17aa, >6UYY_2|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1czq
RCSB PDB
PDBbind
17-mer
1ej4
RCSB PDB
PDBbind
17-mer
1f47
RCSB PDB
PDBbind
17-mer
1i5h
RCSB PDB
PDBbind
17-mer
1mxl
RCSB PDB
PDBbind
17-mer
1r2b
RCSB PDB
PDBbind
17-mer
1ybo
RCSB PDB
PDBbind
17-mer
2br8
RCSB PDB
PDBbind
17-mer
2fys
RCSB PDB
PDBbind
17-mer
2jq9
RCSB PDB
PDBbind
17-mer
2krd
RCSB PDB
PDBbind
17-mer
2ll6
RCSB PDB
PDBbind
17-mer
2ll7
RCSB PDB
PDBbind
17-mer
2n3k
RCSB PDB
PDBbind
17-mer
2n9x
RCSB PDB
PDBbind
17-mer
2nm1
RCSB PDB
PDBbind
17-mer
2odd
RCSB PDB
PDBbind
17-mer
2r3c
RCSB PDB
PDBbind
17-mer
2r5b
RCSB PDB
PDBbind
17-mer
2r5d
RCSB PDB
PDBbind
17-mer
2uz6
RCSB PDB
PDBbind
17-mer
2w73
RCSB PDB
PDBbind
17-mer
2y6s
RCSB PDB
PDBbind
17-mer
3fdm
RCSB PDB
PDBbind
17-mer
6s07
RCSB PDB
PDBbind
17-mer
3ktr
RCSB PDB
PDBbind
17-mer
3o0e
RCSB PDB
PDBbind
17-mer
3qn7
RCSB PDB
PDBbind
17-mer
3t7g
RCSB PDB
PDBbind
17-mer
3u3f
RCSB PDB
PDBbind
17-mer
3uxg
RCSB PDB
PDBbind
17-mer
3uzd
RCSB PDB
PDBbind
17-mer
3v30
RCSB PDB
PDBbind
17-mer
3wp1
RCSB PDB
PDBbind
17-mer
4b60
RCSB PDB
PDBbind
17-mer
4blb
RCSB PDB
PDBbind
17-mer
4djs
RCSB PDB
PDBbind
17-mer
4esg
RCSB PDB
PDBbind
17-mer
4fmq
RCSB PDB
PDBbind
17-mer
4gy5
RCSB PDB
PDBbind
17-mer
4i31
RCSB PDB
PDBbind
17-mer
4i32
RCSB PDB
PDBbind
17-mer
4i33
RCSB PDB
PDBbind
17-mer
4j2c
RCSB PDB
PDBbind
17-mer
4kmd
RCSB PDB
PDBbind
17-mer
4lg6
RCSB PDB
PDBbind
17-mer
4ngh
RCSB PDB
PDBbind
17-mer
4nhc
RCSB PDB
PDBbind
17-mer
4odn
RCSB PDB
PDBbind
17-mer
4qqi
RCSB PDB
PDBbind
17-mer
4tzq
RCSB PDB
PDBbind
17-mer
4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
6uyz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
K46-acetylated SUMO1
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=4.4uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2020) Structure Vol. 28: pp. 157-168.e5
Ligand Properties
Formula
C
4
2
H
7
7
N
1
1
O
1
3
Molecular Weight
944.127
Exact Mass
943.570
No. of atoms
143
No. of bonds
142
Polar Surface Area
409.25
LOGP Value
3.81 (
Computed with XLOGP3
)
-0.11 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)C(C)C)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC(=O)O)CCC(=O)O)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C42H75N11O13/c1-10-22(7)32(40(64)53-33(23(8)11-2)39(63)51-31(21(5)6)38(62)50-28(41(65)66)19-20(3)4)52-37(61)25(13-12-18-46-42(44)45)48-36(60)27(15-17-30(56)57)49-35(59)26(14-16-29(54)55)47-34(58)24(9)43/h20-28,31-33H,10-19,43H2,1-9H3,(H,47,58)(H,48,60)(H,49,59)(H,50,62)(H,51,63)(H,52,61)(H,53,64)(H,54,55)(H,56,57)(H,65,66)(H4,44,45,46)/p+2/t22-,23-,24-,25-,26-,27-,28-,31-,32-,33-/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):
P63165
Entrez Gene ID
NCBI Entrez Gene ID:
7341
ASD
Information of known allosteric effects of PDB entries
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