Browse entries in the PDBbind-CN Database
HEADER 5LAV_COMPLEX COMPND 5LAV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 93 ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 2 A 93 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 3 A 93 LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR LEU SEQRES 4 A 93 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 5 A 93 GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY SEQRES 6 A 93 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 7 A 93 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 8 A 93 VAL ASN HET UNN A 126 55 ATOM 1 N ILE A 19 1.783 6.087 -9.760 1.00 24.80 N ATOM 2 CA ILE A 19 2.504 6.300 -8.470 1.00 22.96 C ATOM 3 C ILE A 19 2.839 4.933 -7.857 1.00 22.75 C ATOM 4 O ILE A 19 1.925 4.161 -7.557 1.00 24.89 O ATOM 5 CB ILE A 19 1.655 7.085 -7.433 1.00 23.59 C ATOM 6 CG1 ILE A 19 1.083 8.397 -8.008 1.00 25.93 C ATOM 7 CG2 ILE A 19 2.487 7.357 -6.183 1.00 22.92 C ATOM 8 CD1 ILE A 19 2.019 9.588 -7.968 1.00 25.17 C ATOM 9 HN3 ILE A 19 0.907 5.556 -9.582 1.00 0.00 H ATOM 10 HN2 ILE A 19 2.390 5.548 -10.410 1.00 0.00 H ATOM 11 HN1 ILE A 19 1.552 7.009 -10.183 1.00 0.00 H ATOM 12 N PRO A 20 4.140 4.624 -7.664 1.00 19.90 N ATOM 13 CA PRO A 20 4.477 3.344 -7.054 1.00 16.97 C ATOM 14 C PRO A 20 4.207 3.339 -5.550 1.00 15.04 C ATOM 15 O PRO A 20 4.318 4.370 -4.912 1.00 12.41 O ATOM 16 CB PRO A 20 5.975 3.216 -7.327 1.00 15.64 C ATOM 17 CG PRO A 20 6.462 4.592 -7.328 1.00 18.28 C ATOM 18 CD PRO A 20 5.349 5.430 -7.907 1.00 19.74 C ATOM 19 N ALA A 21 3.887 2.163 -5.013 1.00 18.84 N ATOM 20 CA ALA A 21 3.584 1.959 -3.590 1.00 14.60 C ATOM 21 C ALA A 21 4.715 2.404 -2.676 1.00 13.83 C ATOM 22 O ALA A 21 4.473 2.902 -1.580 1.00 14.49 O ATOM 23 CB ALA A 21 3.279 0.481 -3.330 1.00 13.00 C ATOM 24 H ALA A 21 3.849 1.335 -5.642 1.00 0.00 H ATOM 25 N SER A 22 5.950 2.215 -3.139 1.00 12.52 N ATOM 26 CA SER A 22 7.146 2.574 -2.370 1.00 12.84 C ATOM 27 C SER A 22 7.244 4.042 -1.980 1.00 12.03 C ATOM 28 O SER A 22 7.870 4.361 -0.968 1.00 12.42 O ATOM 29 CB SER A 22 8.391 2.214 -3.171 1.00 13.62 C ATOM 30 OG SER A 22 8.407 2.989 -4.374 1.00 12.26 O ATOM 31 HG SER A 22 9.213 2.761 -4.901 1.00 0.00 H ATOM 32 H SER A 22 6.071 1.796 -4.083 1.00 0.00 H ATOM 33 N GLU A 23 6.652 4.927 -2.781 1.00 12.27 N ATOM 34 CA GLU A 23 6.653 6.364 -2.450 1.00 12.09 C ATOM 35 C GLU A 23 6.128 6.628 -1.032 1.00 14.53 C ATOM 36 O GLU A 23 6.654 7.497 -0.328 1.00 15.67 O ATOM 37 CB GLU A 23 5.878 7.178 -3.493 1.00 15.89 C ATOM 38 CG GLU A 23 5.659 8.671 -3.163 1.00 14.54 C ATOM 39 CD GLU A 23 6.932 9.462 -2.895 1.00 18.84 C ATOM 40 OE1 GLU A 23 8.016 9.071 -3.362 1.00 22.85 O ATOM 41 OE2 GLU A 23 6.855 10.496 -2.189 1.00 21.99 O ATOM 42 H GLU A 23 6.184 4.600 -3.650 1.00 0.00 H ATOM 43 N GLN A 24 5.105 5.881 -0.614 1.00 16.72 N ATOM 44 CA GLN A 24 4.538 6.007 0.748 1.00 19.27 C ATOM 45 C GLN A 24 5.549 5.793 1.883 1.00 19.31 C ATOM 46 O GLN A 24 5.384 6.350 2.956 1.00 20.78 O ATOM 47 CB GLN A 24 3.376 5.020 0.953 1.00 23.03 C ATOM 48 CG GLN A 24 2.162 5.252 0.066 1.00 31.47 C ATOM 49 CD GLN A 24 1.374 6.466 0.462 1.00 36.27 C ATOM 50 OE1 GLN A 24 1.801 7.595 0.228 1.00 48.72 O ATOM 51 NE2 GLN A 24 0.210 6.249 1.065 1.00 41.25 N ATOM 52 HE22 GLN A 24 -0.110 5.276 1.242 1.00 0.00 H ATOM 53 HE21 GLN A 24 -0.381 7.053 1.360 1.00 0.00 H ATOM 54 H GLN A 24 4.691 5.186 -1.268 1.00 0.00 H ATOM 55 N GLU A 25 6.586 4.994 1.646 1.00 16.22 N ATOM 56 CA GLU A 25 7.597 4.693 2.674 1.00 17.30 C ATOM 57 C GLU A 25 8.730 5.714 2.738 1.00 17.80 C ATOM 58 O GLU A 25 9.600 5.597 3.599 1.00 17.43 O ATOM 59 CB GLU A 25 8.208 3.313 2.427 1.00 17.35 C ATOM 60 CG GLU A 25 7.242 2.182 2.643 1.00 18.69 C ATOM 61 CD GLU A 25 7.368 1.121 1.587 1.00 17.16 C ATOM 62 OE1 GLU A 25 8.484 0.584 1.384 1.00 25.89 O ATOM 63 OE2 GLU A 25 6.329 0.825 0.974 1.00 27.80 O ATOM 64 H GLU A 25 6.686 4.567 0.703 1.00 0.00 H ATOM 65 N THR A 26 8.745 6.666 1.804 1.00 18.18 N ATOM 66 CA THR A 26 9.762 7.717 1.744 1.00 18.46 C ATOM 67 C THR A 26 9.805 8.495 3.057 1.00 17.81 C ATOM 68 O THR A 26 8.764 8.939 3.539 1.00 18.10 O ATOM 69 CB THR A 26 9.465 8.681 0.571 1.00 18.18 C ATOM 70 OG1 THR A 26 9.583 7.962 -0.659 1.00 23.97 O ATOM 71 CG2 THR A 26 10.415 9.856 0.560 1.00 20.64 C ATOM 72 HG1 THR A 26 8.934 7.214 -0.666 1.00 0.00 H ATOM 73 H THR A 26 7.996 6.661 1.082 1.00 0.00 H ATOM 74 N LEU A 27 11.005 8.620 3.637 1.00 16.12 N ATOM 75 CA LEU A 27 11.199 9.331 4.896 1.00 16.25 C ATOM 76 C LEU A 27 11.519 10.795 4.609 1.00 14.99 C ATOM 77 O LEU A 27 12.325 11.106 3.735 1.00 16.00 O ATOM 78 CB LEU A 27 12.270 8.656 5.756 1.00 14.94 C ATOM 79 CG LEU A 27 11.995 7.199 6.164 1.00 18.48 C ATOM 80 CD1 LEU A 27 13.215 6.558 6.810 1.00 18.98 C ATOM 81 CD2 LEU A 27 10.786 7.102 7.086 1.00 16.37 C ATOM 82 H LEU A 27 11.832 8.193 3.172 1.00 0.00 H ATOM 83 N VAL A 28 10.858 11.699 5.333 1.00 15.77 N ATOM 84 CA VAL A 28 10.921 13.126 5.034 1.00 17.28 C ATOM 85 C VAL A 28 11.025 13.987 6.291 1.00 18.59 C ATOM 86 O VAL A 28 10.504 13.621 7.349 1.00 17.69 O ATOM 87 CB VAL A 28 9.708 13.595 4.200 1.00 18.54 C ATOM 88 CG1 VAL A 28 9.652 12.857 2.859 1.00 21.62 C ATOM 89 CG2 VAL A 28 8.372 13.453 4.989 1.00 19.64 C ATOM 90 H VAL A 28 10.280 11.377 6.135 1.00 0.00 H ATOM 91 N ARG A 29 11.695 15.132 6.151 1.00 15.67 N ATOM 92 CA ARG A 29 11.779 16.158 7.199 1.00 17.35 C ATOM 93 C ARG A 29 11.056 17.402 6.699 1.00 16.07 C ATOM 94 O ARG A 29 11.595 18.142 5.863 1.00 16.73 O ATOM 95 CB ARG A 29 13.246 16.495 7.551 1.00 16.65 C ATOM 96 CG ARG A 29 13.910 15.508 8.498 1.00 25.38 C ATOM 97 CD ARG A 29 15.265 16.024 9.027 1.00 30.87 C ATOM 98 NE ARG A 29 16.034 14.945 9.665 1.00 35.40 N ATOM 99 CZ ARG A 29 16.828 14.073 9.033 1.00 41.12 C ATOM 100 NH1 ARG A 29 17.009 14.117 7.711 1.00 49.81 N ATOM 101 NH2 ARG A 29 17.462 13.134 9.730 1.00 42.59 N ATOM 102 HE ARG A 29 15.954 14.852 10.698 1.00 0.00 H ATOM 103 HH12 ARG A 29 17.633 13.425 7.248 1.00 0.00 H ATOM 104 HH11 ARG A 29 16.526 14.843 7.144 1.00 0.00 H ATOM 105 HH22 ARG A 29 18.080 12.454 9.244 1.00 0.00 H ATOM 106 HH21 ARG A 29 17.339 13.080 10.761 1.00 0.00 H ATOM 107 H ARG A 29 12.185 15.308 5.251 1.00 0.00 H ATOM 108 N PRO A 30 9.826 17.656 7.191 1.00 17.34 N ATOM 109 CA PRO A 30 9.112 18.831 6.706 1.00 18.02 C ATOM 110 C PRO A 30 9.793 20.160 7.046 1.00 15.93 C ATOM 111 O PRO A 30 10.457 20.276 8.080 1.00 18.55 O ATOM 112 CB PRO A 30 7.746 18.721 7.405 1.00 17.60 C ATOM 113 CG PRO A 30 7.571 17.277 7.594 1.00 19.31 C ATOM 114 CD PRO A 30 8.943 16.810 8.011 1.00 18.22 C ATOM 115 N LYS A 31 9.636 21.143 6.159 1.00 16.36 N ATOM 116 CA LYS A 31 10.084 22.510 6.420 1.00 16.96 C ATOM 117 C LYS A 31 9.121 23.169 7.423 1.00 19.08 C ATOM 118 O LYS A 31 8.050 22.609 7.682 1.00 19.73 O ATOM 119 CB LYS A 31 10.179 23.293 5.106 1.00 19.05 C ATOM 120 CG LYS A 31 11.292 22.780 4.204 1.00 18.95 C ATOM 121 CD LYS A 31 11.303 23.506 2.877 1.00 16.53 C ATOM 122 CE LYS A 31 12.215 22.808 1.891 1.00 17.64 C ATOM 123 NZ LYS A 31 12.254 23.556 0.604 1.00 14.70 N ATOM 124 HZ1 LYS A 31 11.295 23.606 0.204 1.00 0.00 H ATOM 125 HZ2 LYS A 31 12.610 24.518 0.774 1.00 0.00 H ATOM 126 HZ3 LYS A 31 12.884 23.065 -0.062 1.00 0.00 H ATOM 127 H LYS A 31 9.179 20.930 5.250 1.00 0.00 H ATOM 128 N PRO A 32 9.501 24.323 8.013 1.00 17.82 N ATOM 129 CA PRO A 32 8.706 24.960 9.085 1.00 19.68 C ATOM 130 C PRO A 32 7.216 25.193 8.818 1.00 19.70 C ATOM 131 O PRO A 32 6.402 24.920 9.703 1.00 21.49 O ATOM 132 CB PRO A 32 9.420 26.297 9.287 1.00 21.19 C ATOM 133 CG PRO A 32 10.818 25.991 8.992 1.00 20.69 C ATOM 134 CD PRO A 32 10.774 25.053 7.822 1.00 18.54 C ATOM 135 N LEU A 33 6.866 25.666 7.622 1.00 18.73 N ATOM 136 CA LEU A 33 5.457 25.936 7.277 1.00 20.13 C ATOM 137 C LEU A 33 4.634 24.650 7.264 1.00 19.70 C ATOM 138 O LEU A 33 3.550 24.600 7.848 1.00 22.69 O ATOM 139 CB LEU A 33 5.329 26.660 5.928 1.00 22.03 C ATOM 140 CG LEU A 33 3.998 27.357 5.633 1.00 22.73 C ATOM 141 CD1 LEU A 33 3.738 28.459 6.636 1.00 28.17 C ATOM 142 CD2 LEU A 33 3.985 27.923 4.221 1.00 25.73 C ATOM 143 H LEU A 33 7.605 25.849 6.914 1.00 0.00 H ATOM 144 N LEU A 34 5.152 23.620 6.602 1.00 18.75 N ATOM 145 CA LEU A 34 4.502 22.306 6.584 1.00 18.70 C ATOM 146 C LEU A 34 4.467 21.674 7.970 1.00 19.22 C ATOM 147 O LEU A 34 3.457 21.056 8.334 1.00 19.36 O ATOM 148 CB LEU A 34 5.177 21.352 5.587 1.00 19.30 C ATOM 149 CG LEU A 34 4.655 19.909 5.567 1.00 20.85 C ATOM 150 CD1 LEU A 34 3.137 19.895 5.311 1.00 23.10 C ATOM 151 CD2 LEU A 34 5.390 19.061 4.546 1.00 20.62 C ATOM 152 H LEU A 34 6.043 23.750 6.082 1.00 0.00 H ATOM 153 N LEU A 35 5.548 21.818 8.740 1.00 17.78 N ATOM 154 CA LEU A 35 5.572 21.277 10.111 1.00 19.17 C ATOM 155 C LEU A 35 4.482 21.932 10.964 1.00 19.48 C ATOM 156 O LEU A 35 3.804 21.250 11.734 1.00 18.94 O ATOM 157 CB LEU A 35 6.957 21.444 10.755 1.00 21.01 C ATOM 158 CG LEU A 35 7.248 20.553 11.967 1.00 23.04 C ATOM 159 CD1 LEU A 35 7.351 19.077 11.557 1.00 27.03 C ATOM 160 CD2 LEU A 35 8.531 21.018 12.666 1.00 26.75 C ATOM 161 H LEU A 35 6.382 22.317 8.369 1.00 0.00 H ATOM 162 N LYS A 36 4.304 23.247 10.794 1.00 18.50 N ATOM 163 CA LYS A 36 3.240 24.007 11.467 1.00 20.71 C ATOM 164 C LYS A 36 1.858 23.405 11.172 1.00 19.65 C ATOM 165 O LYS A 36 1.067 23.178 12.100 1.00 20.27 O ATOM 166 CB LYS A 36 3.277 25.483 11.036 1.00 20.54 C ATOM 167 CG LYS A 36 2.439 26.443 11.878 1.00 25.06 C ATOM 168 CD LYS A 36 2.387 27.823 11.225 1.00 29.19 C ATOM 169 CE LYS A 36 1.738 28.859 12.122 1.00 31.70 C ATOM 170 NZ LYS A 36 2.604 29.208 13.286 1.00 32.46 N ATOM 171 HZ1 LYS A 36 2.784 28.354 13.851 1.00 0.00 H ATOM 172 HZ2 LYS A 36 3.506 29.594 12.942 1.00 0.00 H ATOM 173 HZ3 LYS A 36 2.123 29.919 13.873 1.00 0.00 H ATOM 174 H LYS A 36 4.949 23.756 10.156 1.00 0.00 H ATOM 175 N LEU A 37 1.595 23.140 9.891 1.00 19.52 N ATOM 176 CA LEU A 37 0.337 22.507 9.451 1.00 18.80 C ATOM 177 C LEU A 37 0.150 21.125 10.090 1.00 16.77 C ATOM 178 O LEU A 37 -0.917 20.832 10.622 1.00 16.21 O ATOM 179 CB LEU A 37 0.262 22.389 7.922 1.00 20.47 C ATOM 180 CG LEU A 37 -1.106 21.963 7.357 1.00 24.66 C ATOM 181 CD1 LEU A 37 -1.301 22.429 5.906 1.00 29.16 C ATOM 182 CD2 LEU A 37 -1.338 20.462 7.464 1.00 25.82 C ATOM 183 H LEU A 37 2.305 23.390 9.174 1.00 0.00 H ATOM 184 N LEU A 38 1.192 20.296 10.051 1.00 16.59 N ATOM 185 CA LEU A 38 1.109 18.930 10.593 1.00 16.36 C ATOM 186 C LEU A 38 0.864 18.928 12.108 1.00 16.19 C ATOM 187 O LEU A 38 0.070 18.121 12.615 1.00 14.04 O ATOM 188 CB LEU A 38 2.364 18.120 10.254 1.00 14.94 C ATOM 189 CG LEU A 38 2.674 17.861 8.778 1.00 14.59 C ATOM 190 CD1 LEU A 38 4.021 17.170 8.675 1.00 19.95 C ATOM 191 CD2 LEU A 38 1.583 17.022 8.115 1.00 21.57 C ATOM 192 H LEU A 38 2.085 20.621 9.628 1.00 0.00 H ATOM 193 N LYS A 39 1.513 19.847 12.834 1.00 16.03 N ATOM 194 CA LYS A 39 1.353 19.923 14.293 1.00 17.17 C ATOM 195 C LYS A 39 -0.070 20.329 14.735 1.00 15.15 C ATOM 196 O LYS A 39 -0.441 20.089 15.881 1.00 14.33 O ATOM 197 CB LYS A 39 2.439 20.815 14.939 1.00 16.91 C ATOM 198 CG LYS A 39 3.874 20.253 14.778 1.00 24.83 C ATOM 199 CD LYS A 39 4.798 20.508 15.979 1.00 32.89 C ATOM 200 CE LYS A 39 6.189 19.893 15.732 1.00 35.39 C ATOM 201 NZ LYS A 39 7.125 20.000 16.890 1.00 36.31 N ATOM 202 HZ1 LYS A 39 7.273 21.003 17.123 1.00 0.00 H ATOM 203 HZ2 LYS A 39 6.717 19.509 17.711 1.00 0.00 H ATOM 204 HZ3 LYS A 39 8.035 19.563 16.640 1.00 0.00 H ATOM 205 H LYS A 39 2.144 20.521 12.355 1.00 0.00 H ATOM 206 N SER A 40 -0.862 20.907 13.822 1.00 17.90 N ATOM 207 CA SER A 40 -2.270 21.256 14.095 1.00 17.91 C ATOM 208 C SER A 40 -3.240 20.062 14.102 1.00 17.58 C ATOM 209 O SER A 40 -4.325 20.151 14.687 1.00 18.29 O ATOM 210 CB SER A 40 -2.770 22.304 13.089 1.00 20.47 C ATOM 211 OG SER A 40 -3.086 21.731 11.833 1.00 20.22 O ATOM 212 HG SER A 40 -2.278 21.302 11.455 1.00 0.00 H ATOM 213 H SER A 40 -0.469 21.118 12.883 1.00 0.00 H ATOM 214 N VAL A 41 -2.869 18.972 13.437 1.00 19.94 N ATOM 215 CA VAL A 41 -3.708 17.765 13.366 1.00 22.28 C ATOM 216 C VAL A 41 -3.076 16.590 14.120 1.00 26.42 C ATOM 217 O VAL A 41 -3.322 15.420 13.793 1.00 29.12 O ATOM 218 CB VAL A 41 -4.077 17.389 11.900 1.00 21.18 C ATOM 219 CG1 VAL A 41 -5.065 18.413 11.335 1.00 20.96 C ATOM 220 CG2 VAL A 41 -2.836 17.271 11.010 1.00 16.88 C ATOM 221 H VAL A 41 -1.951 18.972 12.948 1.00 0.00 H ATOM 222 N GLY A 42 -2.279 16.912 15.145 1.00 29.25 N ATOM 223 CA GLY A 42 -1.696 15.901 16.034 1.00 29.60 C ATOM 224 C GLY A 42 -0.213 15.639 15.925 1.00 28.51 C ATOM 225 O GLY A 42 0.370 15.061 16.845 1.00 28.67 O ATOM 226 H GLY A 42 -2.065 17.915 15.318 1.00 0.00 H ATOM 227 N ALA A 43 0.399 16.051 14.821 1.00 27.29 N ATOM 228 CA ALA A 43 1.761 15.604 14.503 1.00 27.83 C ATOM 229 C ALA A 43 2.743 16.066 15.576 1.00 27.18 C ATOM 230 O ALA A 43 2.678 17.196 16.056 1.00 27.82 O ATOM 231 CB ALA A 43 2.197 16.072 13.127 1.00 26.10 C ATOM 232 H ALA A 43 -0.093 16.699 14.173 1.00 0.00 H ATOM 233 N GLN A 44 3.618 15.152 15.962 1.00 22.91 N ATOM 234 CA GLN A 44 4.500 15.315 17.112 1.00 22.83 C ATOM 235 C GLN A 44 5.984 15.346 16.741 1.00 18.55 C ATOM 236 O GLN A 44 6.817 15.647 17.596 1.00 14.09 O ATOM 237 CB GLN A 44 4.272 14.131 18.067 1.00 23.59 C ATOM 238 CG GLN A 44 3.097 14.294 18.988 1.00 26.75 C ATOM 239 CD GLN A 44 3.516 14.773 20.369 1.00 30.24 C ATOM 240 OE1 GLN A 44 4.300 15.717 20.508 1.00 35.91 O ATOM 241 NE2 GLN A 44 3.005 14.117 21.392 1.00 27.36 N ATOM 242 HE22 GLN A 44 2.348 13.328 21.228 1.00 0.00 H ATOM 243 HE21 GLN A 44 3.259 14.389 22.363 1.00 0.00 H ATOM 244 H GLN A 44 3.680 14.269 15.416 1.00 0.00 H ATOM 245 N LYS A 45 6.299 15.046 15.482 1.00 18.47 N ATOM 246 CA LYS A 45 7.628 14.590 15.092 1.00 17.75 C ATOM 247 C LYS A 45 8.318 15.548 14.144 1.00 19.67 C ATOM 248 O LYS A 45 7.708 16.476 13.610 1.00 24.88 O ATOM 249 CB LYS A 45 7.541 13.241 14.389 1.00 16.28 C ATOM 250 CG LYS A 45 6.804 12.152 15.120 1.00 24.69 C ATOM 251 CD LYS A 45 7.020 10.843 14.378 1.00 26.67 C ATOM 252 CE LYS A 45 5.906 9.856 14.562 1.00 30.26 C ATOM 253 NZ LYS A 45 6.141 8.717 13.646 1.00 21.23 N ATOM 254 HZ1 LYS A 45 6.156 9.061 12.664 1.00 0.00 H ATOM 255 HZ2 LYS A 45 7.054 8.273 13.874 1.00 0.00 H ATOM 256 HZ3 LYS A 45 5.378 8.020 13.759 1.00 0.00 H ATOM 257 H LYS A 45 5.568 15.141 14.748 1.00 0.00 H ATOM 258 N ASP A 46 9.603 15.293 13.940 1.00 19.12 N ATOM 259 CA ASP A 46 10.397 16.032 12.960 1.00 20.98 C ATOM 260 C ASP A 46 10.724 15.213 11.714 1.00 18.36 C ATOM 261 O ASP A 46 11.024 15.807 10.685 1.00 17.09 O ATOM 262 CB ASP A 46 11.677 16.533 13.611 1.00 21.67 C ATOM 263 CG ASP A 46 11.409 17.506 14.747 1.00 25.52 C ATOM 264 OD1 ASP A 46 10.568 18.428 14.589 1.00 23.43 O ATOM 265 OD2 ASP A 46 12.049 17.345 15.802 1.00 28.58 O ATOM 266 H ASP A 46 10.061 14.543 14.495 1.00 0.00 H ATOM 267 N THR A 47 10.707 13.877 11.813 1.00 18.01 N ATOM 268 CA THR A 47 10.823 13.007 10.633 1.00 18.08 C ATOM 269 C THR A 47 9.555 12.161 10.524 1.00 17.97 C ATOM 270 O THR A 47 9.107 11.570 11.516 1.00 20.52 O ATOM 271 CB THR A 47 12.103 12.112 10.668 1.00 18.43 C ATOM 272 OG1 THR A 47 13.275 12.929 10.795 1.00 23.66 O ATOM 273 CG2 THR A 47 12.231 11.286 9.391 1.00 24.43 C ATOM 274 HG1 THR A 47 14.078 12.351 10.816 1.00 0.00 H ATOM 275 H THR A 47 10.609 13.442 12.753 1.00 0.00 H ATOM 276 N TYR A 48 8.976 12.133 9.325 1.00 16.32 N ATOM 277 CA TYR A 48 7.775 11.357 9.018 1.00 19.52 C ATOM 278 C TYR A 48 7.986 10.430 7.829 1.00 20.64 C ATOM 279 O TYR A 48 8.941 10.593 7.078 1.00 21.70 O ATOM 280 CB TYR A 48 6.627 12.298 8.671 1.00 19.54 C ATOM 281 CG TYR A 48 6.233 13.246 9.773 1.00 19.90 C ATOM 282 CD1 TYR A 48 6.890 14.465 9.930 1.00 19.98 C ATOM 283 CD2 TYR A 48 5.180 12.945 10.635 1.00 21.69 C ATOM 284 CE1 TYR A 48 6.530 15.353 10.923 1.00 17.34 C ATOM 285 CE2 TYR A 48 4.806 13.831 11.658 1.00 22.38 C ATOM 286 CZ TYR A 48 5.483 15.027 11.793 1.00 18.69 C ATOM 287 OH TYR A 48 5.144 15.918 12.770 1.00 20.60 O ATOM 288 HH TYR A 48 5.735 16.710 12.712 1.00 0.00 H ATOM 289 H TYR A 48 9.403 12.696 8.562 1.00 0.00 H ATOM 290 N THR A 49 7.077 9.468 7.660 1.00 18.92 N ATOM 291 CA THR A 49 6.918 8.768 6.388 1.00 17.88 C ATOM 292 C THR A 49 5.991 9.617 5.513 1.00 17.30 C ATOM 293 O THR A 49 5.217 10.442 6.030 1.00 15.61 O ATOM 294 CB THR A 49 6.309 7.353 6.551 1.00 19.03 C ATOM 295 OG1 THR A 49 4.970 7.454 7.059 1.00 16.27 O ATOM 296 CG2 THR A 49 7.152 6.486 7.489 1.00 19.51 C ATOM 297 HG1 THR A 49 4.587 6.547 7.161 1.00 0.00 H ATOM 298 H THR A 49 6.463 9.209 8.458 1.00 0.00 H ATOM 299 N MET A 50 6.070 9.444 4.198 1.00 17.05 N ATOM 300 CA MET A 50 5.133 10.135 3.291 1.00 18.16 C ATOM 301 C MET A 50 3.675 9.695 3.532 1.00 16.73 C ATOM 302 O MET A 50 2.755 10.517 3.431 1.00 17.25 O ATOM 303 CB MET A 50 5.535 9.968 1.819 1.00 20.65 C ATOM 304 CG MET A 50 6.572 10.989 1.347 1.00 25.37 C ATOM 305 SD MET A 50 6.040 12.722 1.500 1.00 27.66 S ATOM 306 CE MET A 50 4.552 12.692 0.549 1.00 18.46 C ATOM 307 H MET A 50 6.799 8.816 3.804 1.00 0.00 H ATOM 308 N LYS A 51 3.481 8.426 3.896 1.00 18.12 N ATOM 309 CA LYS A 51 2.179 7.955 4.351 1.00 16.96 C ATOM 310 C LYS A 51 1.625 8.826 5.480 1.00 15.31 C ATOM 311 O LYS A 51 0.461 9.223 5.427 1.00 16.77 O ATOM 312 CB LYS A 51 2.244 6.503 4.828 1.00 18.32 C ATOM 313 CG LYS A 51 0.879 5.898 5.181 1.00 16.77 C ATOM 314 CD LYS A 51 1.004 4.485 5.726 1.00 20.06 C ATOM 315 CE LYS A 51 -0.369 3.914 6.072 1.00 21.22 C ATOM 316 NZ LYS A 51 -0.292 2.540 6.624 1.00 19.52 N ATOM 317 HZ1 LYS A 51 0.149 1.911 5.924 1.00 0.00 H ATOM 318 HZ2 LYS A 51 0.279 2.548 7.493 1.00 0.00 H ATOM 319 HZ3 LYS A 51 -1.251 2.201 6.841 1.00 0.00 H ATOM 320 H LYS A 51 4.277 7.758 3.854 1.00 0.00 H ATOM 321 N GLU A 52 2.443 9.100 6.500 1.00 15.66 N ATOM 322 CA GLU A 52 2.029 9.974 7.626 1.00 14.63 C ATOM 323 C GLU A 52 1.695 11.391 7.147 1.00 15.98 C ATOM 324 O GLU A 52 0.644 11.932 7.479 1.00 17.76 O ATOM 325 CB GLU A 52 3.102 10.055 8.714 1.00 13.78 C ATOM 326 CG GLU A 52 3.238 8.832 9.588 1.00 17.62 C ATOM 327 CD GLU A 52 4.423 8.916 10.543 1.00 21.40 C ATOM 328 OE1 GLU A 52 5.529 9.281 10.100 1.00 18.51 O ATOM 329 OE2 GLU A 52 4.257 8.607 11.740 1.00 25.14 O ATOM 330 H GLU A 52 3.398 8.689 6.505 1.00 0.00 H ATOM 331 N VAL A 53 2.594 11.983 6.364 1.00 15.89 N ATOM 332 CA VAL A 53 2.379 13.309 5.800 1.00 16.58 C ATOM 333 C VAL A 53 1.072 13.408 4.987 1.00 14.53 C ATOM 334 O VAL A 53 0.300 14.354 5.164 1.00 17.74 O ATOM 335 CB VAL A 53 3.589 13.758 4.949 1.00 16.11 C ATOM 336 CG1 VAL A 53 3.302 15.070 4.219 1.00 18.89 C ATOM 337 CG2 VAL A 53 4.814 13.917 5.847 1.00 13.81 C ATOM 338 H VAL A 53 3.479 11.482 6.148 1.00 0.00 H ATOM 339 N LEU A 54 0.819 12.421 4.137 1.00 16.87 N ATOM 340 CA LEU A 54 -0.409 12.388 3.343 1.00 15.43 C ATOM 341 C LEU A 54 -1.654 12.193 4.210 1.00 16.75 C ATOM 342 O LEU A 54 -2.691 12.832 3.964 1.00 17.84 O ATOM 343 CB LEU A 54 -0.328 11.313 2.253 1.00 16.44 C ATOM 344 CG LEU A 54 0.519 11.769 1.060 1.00 17.45 C ATOM 345 CD1 LEU A 54 1.043 10.567 0.272 1.00 20.59 C ATOM 346 CD2 LEU A 54 -0.293 12.726 0.177 1.00 22.92 C ATOM 347 H LEU A 54 1.511 11.652 4.033 1.00 0.00 H ATOM 348 N PHE A 55 -1.562 11.340 5.229 1.00 18.19 N ATOM 349 CA PHE A 55 -2.664 11.183 6.178 1.00 16.63 C ATOM 350 C PHE A 55 -2.996 12.455 6.952 1.00 15.98 C ATOM 351 O PHE A 55 -4.188 12.802 7.102 1.00 15.85 O ATOM 352 CB PHE A 55 -2.410 10.074 7.197 1.00 18.58 C ATOM 353 CG PHE A 55 -3.407 10.082 8.319 1.00 16.13 C ATOM 354 CD1 PHE A 55 -4.675 9.547 8.133 1.00 15.36 C ATOM 355 CD2 PHE A 55 -3.105 10.690 9.538 1.00 14.39 C ATOM 356 CE1 PHE A 55 -5.621 9.571 9.163 1.00 14.77 C ATOM 357 CE2 PHE A 55 -4.045 10.736 10.565 1.00 11.77 C ATOM 358 CZ PHE A 55 -5.309 10.168 10.377 1.00 15.36 C ATOM 359 H PHE A 55 -0.695 10.778 5.351 1.00 0.00 H ATOM 360 N TYR A 56 -1.970 13.104 7.504 1.00 13.66 N ATOM 361 CA TYR A 56 -2.182 14.309 8.298 1.00 15.44 C ATOM 362 C TYR A 56 -2.671 15.476 7.429 1.00 14.57 C ATOM 363 O TYR A 56 -3.519 16.256 7.883 1.00 16.45 O ATOM 364 CB TYR A 56 -0.934 14.701 9.101 1.00 15.36 C ATOM 365 CG TYR A 56 -0.614 13.756 10.247 1.00 16.16 C ATOM 366 CD1 TYR A 56 -1.540 13.503 11.260 1.00 15.67 C ATOM 367 CD2 TYR A 56 0.621 13.122 10.323 1.00 15.42 C ATOM 368 CE1 TYR A 56 -1.242 12.632 12.308 1.00 17.49 C ATOM 369 CE2 TYR A 56 0.923 12.263 11.353 1.00 13.96 C ATOM 370 CZ TYR A 56 -0.002 12.020 12.346 1.00 19.03 C ATOM 371 OH TYR A 56 0.324 11.159 13.355 1.00 23.40 O ATOM 372 HH TYR A 56 1.121 11.500 13.834 1.00 0.00 H ATOM 373 H TYR A 56 -1.004 12.745 7.366 1.00 0.00 H ATOM 374 N LEU A 57 -2.160 15.593 6.199 1.00 17.03 N ATOM 375 CA LEU A 57 -2.712 16.573 5.235 1.00 17.20 C ATOM 376 C LEU A 57 -4.198 16.316 4.920 1.00 18.18 C ATOM 377 O LEU A 57 -5.018 17.251 4.916 1.00 16.32 O ATOM 378 CB LEU A 57 -1.905 16.605 3.941 1.00 17.51 C ATOM 379 CG LEU A 57 -0.572 17.355 4.055 1.00 18.93 C ATOM 380 CD1 LEU A 57 0.289 17.030 2.838 1.00 25.04 C ATOM 381 CD2 LEU A 57 -0.762 18.859 4.195 1.00 24.55 C ATOM 382 H LEU A 57 -1.364 14.987 5.915 1.00 0.00 H ATOM 383 N GLY A 58 -4.530 15.052 4.663 1.00 16.60 N ATOM 384 CA GLY A 58 -5.926 14.634 4.442 1.00 17.11 C ATOM 385 C GLY A 58 -6.840 14.970 5.608 1.00 16.65 C ATOM 386 O GLY A 58 -7.962 15.470 5.405 1.00 16.77 O ATOM 387 H GLY A 58 -3.778 14.335 4.617 1.00 0.00 H ATOM 388 N GLN A 59 -6.357 14.709 6.825 1.00 19.12 N ATOM 389 CA GLN A 59 -7.067 15.088 8.056 1.00 18.37 C ATOM 390 C GLN A 59 -7.263 16.596 8.182 1.00 18.78 C ATOM 391 O GLN A 59 -8.343 17.038 8.561 1.00 16.57 O ATOM 392 CB GLN A 59 -6.346 14.567 9.314 1.00 21.79 C ATOM 393 CG GLN A 59 -6.729 13.164 9.726 1.00 25.59 C ATOM 394 CD GLN A 59 -8.113 13.090 10.352 1.00 25.81 C ATOM 395 OE1 GLN A 59 -9.066 12.656 9.714 1.00 23.50 O ATOM 396 NE2 GLN A 59 -8.227 13.528 11.605 1.00 32.78 N ATOM 397 HE22 GLN A 59 -7.391 13.888 12.108 1.00 0.00 H ATOM 398 HE21 GLN A 59 -9.152 13.510 12.080 1.00 0.00 H ATOM 399 H GLN A 59 -5.443 14.219 6.906 1.00 0.00 H ATOM 400 N TYR A 60 -6.219 17.365 7.853 1.00 17.81 N ATOM 401 CA TYR A 60 -6.261 18.833 7.854 1.00 17.55 C ATOM 402 C TYR A 60 -7.324 19.354 6.870 1.00 16.43 C ATOM 403 O TYR A 60 -8.175 20.177 7.237 1.00 15.85 O ATOM 404 CB TYR A 60 -4.867 19.405 7.515 1.00 17.52 C ATOM 405 CG TYR A 60 -4.786 20.911 7.499 1.00 20.43 C ATOM 406 CD1 TYR A 60 -4.525 21.630 8.665 1.00 22.57 C ATOM 407 CD2 TYR A 60 -4.980 21.624 6.315 1.00 22.33 C ATOM 408 CE1 TYR A 60 -4.449 23.014 8.649 1.00 24.85 C ATOM 409 CE2 TYR A 60 -4.909 23.002 6.288 1.00 25.09 C ATOM 410 CZ TYR A 60 -4.639 23.699 7.456 1.00 25.85 C ATOM 411 OH TYR A 60 -4.580 25.078 7.434 1.00 30.57 O ATOM 412 HH TYR A 60 -5.451 25.440 7.133 1.00 0.00 H ATOM 413 H TYR A 60 -5.330 16.898 7.582 1.00 0.00 H ATOM 414 N ILE A 61 -7.287 18.843 5.638 1.00 14.85 N ATOM 415 CA ILE A 61 -8.308 19.134 4.617 1.00 16.07 C ATOM 416 C ILE A 61 -9.765 18.829 5.040 1.00 16.29 C ATOM 417 O ILE A 61 -10.639 19.687 4.895 1.00 15.81 O ATOM 418 CB ILE A 61 -7.988 18.400 3.291 1.00 16.74 C ATOM 419 CG1 ILE A 61 -6.754 19.038 2.648 1.00 16.43 C ATOM 420 CG2 ILE A 61 -9.198 18.441 2.332 1.00 15.47 C ATOM 421 CD1 ILE A 61 -6.081 18.198 1.597 1.00 14.46 C ATOM 422 H ILE A 61 -6.501 18.210 5.387 1.00 0.00 H ATOM 423 N MET A 62 -10.025 17.617 5.528 1.00 13.81 N ATOM 424 CA MET A 62 -11.394 17.236 5.936 1.00 16.52 C ATOM 425 C MET A 62 -11.846 17.949 7.197 1.00 17.20 C ATOM 426 O MET A 62 -13.038 18.211 7.352 1.00 16.03 O ATOM 427 CB MET A 62 -11.528 15.723 6.137 1.00 16.33 C ATOM 428 CG MET A 62 -11.358 14.920 4.865 1.00 22.14 C ATOM 429 SD MET A 62 -12.569 15.358 3.594 1.00 30.12 S ATOM 430 CE MET A 62 -14.059 14.646 4.282 1.00 25.32 C ATOM 431 H MET A 62 -9.252 16.928 5.624 1.00 0.00 H ATOM 432 N THR A 63 -10.905 18.257 8.087 1.00 19.52 N ATOM 433 CA THR A 63 -11.200 19.017 9.311 1.00 22.14 C ATOM 434 C THR A 63 -11.650 20.446 9.002 1.00 20.55 C ATOM 435 O THR A 63 -12.593 20.955 9.615 1.00 18.33 O ATOM 436 CB THR A 63 -9.985 19.000 10.291 1.00 24.09 C ATOM 437 OG1 THR A 63 -9.947 17.732 10.965 1.00 26.94 O ATOM 438 CG2 THR A 63 -10.066 20.114 11.332 1.00 32.04 C ATOM 439 HG1 THR A 63 -9.849 17.008 10.297 1.00 0.00 H ATOM 440 H THR A 63 -9.927 17.949 7.911 1.00 0.00 H ATOM 441 N LYS A 64 -10.998 21.071 8.032 1.00 18.95 N ATOM 442 CA LYS A 64 -11.299 22.449 7.631 1.00 20.29 C ATOM 443 C LYS A 64 -12.346 22.550 6.503 1.00 20.14 C ATOM 444 O LYS A 64 -12.611 23.641 5.997 1.00 20.04 O ATOM 445 CB LYS A 64 -9.982 23.145 7.266 1.00 24.35 C ATOM 446 CG LYS A 64 -9.012 23.187 8.438 1.00 25.90 C ATOM 447 CD LYS A 64 -7.904 24.219 8.261 1.00 29.77 C ATOM 448 CE LYS A 64 -8.287 25.592 8.804 1.00 33.45 C ATOM 449 NZ LYS A 64 -7.104 26.494 8.942 1.00 36.32 N ATOM 450 HZ1 LYS A 64 -6.418 26.067 9.597 1.00 0.00 H ATOM 451 HZ2 LYS A 64 -6.660 26.626 8.011 1.00 0.00 H ATOM 452 HZ3 LYS A 64 -7.413 27.415 9.314 1.00 0.00 H ATOM 453 H LYS A 64 -10.240 20.562 7.534 1.00 0.00 H ATOM 454 N ARG A 65 -12.970 21.420 6.144 1.00 21.28 N ATOM 455 CA ARG A 65 -13.941 21.334 5.037 1.00 21.89 C ATOM 456 C ARG A 65 -13.476 22.083 3.778 1.00 20.62 C ATOM 457 O ARG A 65 -14.227 22.868 3.182 1.00 20.30 O ATOM 458 CB ARG A 65 -15.343 21.776 5.488 1.00 23.10 C ATOM 459 CG ARG A 65 -15.979 20.851 6.530 1.00 27.22 C ATOM 460 CD ARG A 65 -17.505 20.895 6.471 1.00 34.25 C ATOM 461 NE ARG A 65 -18.135 20.106 7.535 1.00 37.60 N ATOM 462 CZ ARG A 65 -19.445 19.858 7.641 1.00 41.53 C ATOM 463 NH1 ARG A 65 -20.318 20.329 6.746 1.00 43.83 N ATOM 464 NH2 ARG A 65 -19.895 19.127 8.658 1.00 42.92 N ATOM 465 HE ARG A 65 -17.512 19.707 8.266 1.00 0.00 H ATOM 466 HH12 ARG A 65 -21.332 20.123 6.850 1.00 0.00 H ATOM 467 HH11 ARG A 65 -19.984 20.902 5.945 1.00 0.00 H ATOM 468 HH22 ARG A 65 -20.912 18.930 8.747 1.00 0.00 H ATOM 469 HH21 ARG A 65 -19.229 18.753 9.364 1.00 0.00 H ATOM 470 H ARG A 65 -12.757 20.553 6.677 1.00 0.00 H ATOM 471 N LEU A 66 -12.218 21.840 3.406 1.00 17.89 N ATOM 472 CA LEU A 66 -11.649 22.343 2.154 1.00 18.76 C ATOM 473 C LEU A 66 -12.028 21.454 0.966 1.00 19.86 C ATOM 474 O LEU A 66 -11.799 21.844 -0.176 1.00 18.92 O ATOM 475 CB LEU A 66 -10.120 22.460 2.255 1.00 19.15 C ATOM 476 CG LEU A 66 -9.544 23.254 3.434 1.00 18.30 C ATOM 477 CD1 LEU A 66 -8.031 23.428 3.301 1.00 20.07 C ATOM 478 CD2 LEU A 66 -10.230 24.609 3.586 1.00 19.36 C ATOM 479 H LEU A 66 -11.615 21.269 4.032 1.00 0.00 H ATOM 480 N TYR A 67 -12.610 20.280 1.243 1.00 19.46 N ATOM 481 CA TYR A 67 -13.001 19.301 0.231 1.00 20.96 C ATOM 482 C TYR A 67 -14.422 18.775 0.480 1.00 23.21 C ATOM 483 O TYR A 67 -14.861 18.675 1.625 1.00 21.97 O ATOM 484 CB TYR A 67 -12.026 18.122 0.267 1.00 20.17 C ATOM 485 CG TYR A 67 -12.345 17.007 -0.711 1.00 19.73 C ATOM 486 CD1 TYR A 67 -11.961 17.097 -2.049 1.00 24.59 C ATOM 487 CD2 TYR A 67 -13.033 15.864 -0.298 1.00 20.59 C ATOM 488 CE1 TYR A 67 -12.254 16.074 -2.956 1.00 28.03 C ATOM 489 CE2 TYR A 67 -13.336 14.836 -1.198 1.00 27.64 C ATOM 490 CZ TYR A 67 -12.942 14.946 -2.525 1.00 29.56 C ATOM 491 OH TYR A 67 -13.235 13.935 -3.411 1.00 32.90 O ATOM 492 HH TYR A 67 -14.216 13.814 -3.459 1.00 0.00 H ATOM 493 H TYR A 67 -12.795 20.051 2.240 1.00 0.00 H ATOM 494 N ASP A 68 -15.109 18.426 -0.606 1.00 26.36 N ATOM 495 CA ASP A 68 -16.392 17.713 -0.562 1.00 28.16 C ATOM 496 C ASP A 68 -16.634 17.050 -1.927 1.00 30.46 C ATOM 497 O ASP A 68 -16.133 17.524 -2.952 1.00 29.63 O ATOM 498 CB ASP A 68 -17.544 18.666 -0.198 1.00 29.04 C ATOM 499 CG ASP A 68 -18.757 17.944 0.391 1.00 29.70 C ATOM 500 OD1 ASP A 68 -19.031 16.782 0.018 1.00 29.58 O ATOM 501 OD2 ASP A 68 -19.451 18.560 1.229 1.00 29.86 O ATOM 502 H ASP A 68 -14.715 18.672 -1.537 1.00 0.00 H ATOM 503 N GLU A 69 -17.403 15.961 -1.928 1.00 34.52 N ATOM 504 CA GLU A 69 -17.660 15.169 -3.147 1.00 36.95 C ATOM 505 C GLU A 69 -18.642 15.817 -4.148 1.00 38.06 C ATOM 506 O GLU A 69 -18.758 15.348 -5.287 1.00 38.78 O ATOM 507 CB GLU A 69 -18.143 13.757 -2.778 1.00 37.08 C ATOM 508 CG GLU A 69 -17.126 12.912 -1.996 1.00 41.29 C ATOM 509 CD GLU A 69 -16.088 12.225 -2.881 1.00 43.89 C ATOM 510 OE1 GLU A 69 -15.655 12.811 -3.898 1.00 45.89 O ATOM 511 OE2 GLU A 69 -15.697 11.087 -2.548 1.00 46.85 O ATOM 512 H GLU A 69 -17.839 15.657 -1.034 1.00 0.00 H ATOM 513 N LYS A 70 -19.345 16.872 -3.725 1.00 38.05 N ATOM 514 CA LYS A 70 -20.187 17.674 -4.624 1.00 37.84 C ATOM 515 C LYS A 70 -19.427 18.797 -5.366 1.00 37.72 C ATOM 516 O LYS A 70 -20.025 19.501 -6.182 1.00 38.58 O ATOM 517 CB LYS A 70 -21.357 18.277 -3.837 1.00 38.09 C ATOM 518 CG LYS A 70 -22.253 17.227 -3.182 1.00 40.52 C ATOM 519 CD LYS A 70 -23.509 17.836 -2.568 1.00 40.66 C ATOM 520 CE LYS A 70 -23.207 18.613 -1.295 1.00 40.70 C ATOM 521 NZ LYS A 70 -22.808 20.024 -1.558 1.00 40.70 N ATOM 522 HZ1 LYS A 70 -21.952 20.037 -2.148 1.00 0.00 H ATOM 523 HZ2 LYS A 70 -23.580 20.514 -2.054 1.00 0.00 H ATOM 524 HZ3 LYS A 70 -22.615 20.502 -0.655 1.00 0.00 H ATOM 525 H LYS A 70 -19.294 17.136 -2.720 1.00 0.00 H ATOM 526 N GLN A 71 -18.124 18.949 -5.101 1.00 37.18 N ATOM 527 CA GLN A 71 -17.319 20.061 -5.637 1.00 36.91 C ATOM 528 C GLN A 71 -16.405 19.678 -6.826 1.00 35.23 C ATOM 529 O GLN A 71 -15.407 20.364 -7.074 1.00 35.15 O ATOM 530 CB GLN A 71 -16.451 20.655 -4.515 1.00 38.16 C ATOM 531 CG GLN A 71 -17.202 21.090 -3.242 1.00 39.50 C ATOM 532 CD GLN A 71 -16.274 21.565 -2.106 1.00 39.08 C ATOM 533 OE1 GLN A 71 -16.686 22.349 -1.250 1.00 41.51 O ATOM 534 NE2 GLN A 71 -15.028 21.095 -2.103 1.00 40.25 N ATOM 535 HE22 GLN A 71 -14.720 20.434 -2.845 1.00 0.00 H ATOM 536 HE21 GLN A 71 -14.363 21.389 -1.359 1.00 0.00 H ATOM 537 H GLN A 71 -17.658 18.250 -4.488 1.00 0.00 H ATOM 538 N GLN A 72 -16.747 18.611 -7.557 1.00 33.21 N ATOM 539 CA GLN A 72 -15.938 18.101 -8.690 1.00 31.75 C ATOM 540 C GLN A 72 -14.498 17.682 -8.305 1.00 31.11 C ATOM 541 O GLN A 72 -13.560 17.858 -9.090 1.00 31.40 O ATOM 542 CB GLN A 72 -15.919 19.107 -9.859 1.00 32.02 C ATOM 543 CG GLN A 72 -17.293 19.587 -10.303 1.00 32.29 C ATOM 544 CD GLN A 72 -17.239 20.452 -11.563 1.00 34.42 C ATOM 545 OE1 GLN A 72 -16.234 21.104 -11.850 1.00 34.40 O ATOM 546 NE2 GLN A 72 -18.334 20.461 -12.314 1.00 34.38 N ATOM 547 HE22 GLN A 72 -19.161 19.895 -12.035 1.00 0.00 H ATOM 548 HE21 GLN A 72 -18.365 21.034 -13.182 1.00 0.00 H ATOM 549 H GLN A 72 -17.628 18.112 -7.318 1.00 0.00 H ATOM 550 N HIS A 73 -14.351 17.126 -7.099 1.00 28.31 N ATOM 551 CA HIS A 73 -13.083 16.581 -6.581 1.00 26.74 C ATOM 552 C HIS A 73 -11.992 17.647 -6.357 1.00 22.72 C ATOM 553 O HIS A 73 -10.805 17.378 -6.552 1.00 20.39 O ATOM 554 CB HIS A 73 -12.554 15.443 -7.483 1.00 28.85 C ATOM 555 CG HIS A 73 -13.575 14.394 -7.803 1.00 32.35 C ATOM 556 ND1 HIS A 73 -13.765 13.278 -7.016 1.00 36.82 N ATOM 557 CD2 HIS A 73 -14.458 14.290 -8.825 1.00 34.32 C ATOM 558 CE1 HIS A 73 -14.723 12.533 -7.539 1.00 37.25 C ATOM 559 NE2 HIS A 73 -15.160 13.125 -8.636 1.00 38.51 N ATOM 560 H HIS A 73 -15.188 17.074 -6.484 1.00 0.00 H ATOM 561 N ILE A 74 -12.399 18.837 -5.912 1.00 19.92 N ATOM 562 CA ILE A 74 -11.495 19.986 -5.772 1.00 19.18 C ATOM 563 C ILE A 74 -11.279 20.334 -4.296 1.00 17.89 C ATOM 564 O ILE A 74 -12.227 20.337 -3.507 1.00 17.49 O ATOM 565 CB ILE A 74 -12.039 21.221 -6.540 1.00 18.87 C ATOM 566 CG1 ILE A 74 -12.011 20.966 -8.048 1.00 19.01 C ATOM 567 CG2 ILE A 74 -11.225 22.474 -6.223 1.00 19.78 C ATOM 568 CD1 ILE A 74 -12.777 21.983 -8.855 1.00 19.65 C ATOM 569 H ILE A 74 -13.399 18.956 -5.653 1.00 0.00 H ATOM 570 N VAL A 75 -10.020 20.602 -3.937 1.00 18.12 N ATOM 571 CA VAL A 75 -9.666 21.172 -2.636 1.00 16.34 C ATOM 572 C VAL A 75 -9.510 22.694 -2.786 1.00 17.45 C ATOM 573 O VAL A 75 -8.749 23.148 -3.632 1.00 16.32 O ATOM 574 CB VAL A 75 -8.386 20.558 -2.076 1.00 18.70 C ATOM 575 CG1 VAL A 75 -7.921 21.307 -0.850 1.00 13.69 C ATOM 576 CG2 VAL A 75 -8.608 19.082 -1.759 1.00 17.30 C ATOM 577 H VAL A 75 -9.257 20.396 -4.613 1.00 0.00 H ATOM 578 N TYR A 76 -10.242 23.461 -1.976 1.00 16.01 N ATOM 579 CA TYR A 76 -10.201 24.932 -2.014 1.00 16.80 C ATOM 580 C TYR A 76 -9.376 25.442 -0.844 1.00 18.83 C ATOM 581 O TYR A 76 -9.805 25.330 0.308 1.00 21.13 O ATOM 582 CB TYR A 76 -11.617 25.507 -1.944 1.00 16.05 C ATOM 583 CG TYR A 76 -12.467 25.075 -3.113 1.00 15.03 C ATOM 584 CD1 TYR A 76 -12.474 25.803 -4.307 1.00 12.06 C ATOM 585 CD2 TYR A 76 -13.245 23.921 -3.039 1.00 14.33 C ATOM 586 CE1 TYR A 76 -13.246 25.391 -5.393 1.00 9.06 C ATOM 587 CE2 TYR A 76 -14.016 23.509 -4.112 1.00 12.36 C ATOM 588 CZ TYR A 76 -14.016 24.241 -5.285 1.00 12.11 C ATOM 589 OH TYR A 76 -14.793 23.815 -6.331 1.00 15.76 O ATOM 590 HH TYR A 76 -14.688 24.437 -7.094 1.00 0.00 H ATOM 591 H TYR A 76 -10.869 22.999 -1.287 1.00 0.00 H ATOM 592 N CYS A 77 -8.198 25.995 -1.143 1.00 18.85 N ATOM 593 CA CYS A 77 -7.248 26.436 -0.115 1.00 19.01 C ATOM 594 C CYS A 77 -6.785 27.904 -0.247 1.00 20.05 C ATOM 595 O CYS A 77 -5.724 28.266 0.259 1.00 19.78 O ATOM 596 CB CYS A 77 -6.058 25.477 -0.130 1.00 18.69 C ATOM 597 SG CYS A 77 -5.360 25.198 -1.785 1.00 17.87 S ATOM 598 H CYS A 77 -7.944 26.118 -2.144 1.00 0.00 H ATOM 599 N SER A 78 -7.608 28.754 -0.863 1.00 21.39 N ATOM 600 CA SER A 78 -7.235 30.149 -1.179 1.00 22.68 C ATOM 601 C SER A 78 -6.982 31.065 0.034 1.00 23.36 C ATOM 602 O SER A 78 -6.131 31.956 -0.034 1.00 24.52 O ATOM 603 CB SER A 78 -8.304 30.787 -2.076 1.00 23.13 C ATOM 604 OG SER A 78 -9.572 30.725 -1.455 1.00 29.64 O ATOM 605 HG SER A 78 -10.249 31.140 -2.047 1.00 0.00 H ATOM 606 H SER A 78 -8.555 28.420 -1.133 1.00 0.00 H ATOM 607 N ASN A 79 -7.726 30.862 1.120 1.00 21.95 N ATOM 608 CA ASN A 79 -7.572 31.667 2.342 1.00 22.78 C ATOM 609 C ASN A 79 -7.136 30.773 3.492 1.00 22.66 C ATOM 610 O ASN A 79 -7.746 30.745 4.566 1.00 23.56 O ATOM 611 CB ASN A 79 -8.879 32.397 2.671 1.00 22.22 C ATOM 612 CG ASN A 79 -9.270 33.410 1.608 1.00 23.68 C ATOM 613 OD1 ASN A 79 -10.409 33.424 1.143 1.00 20.95 O ATOM 614 ND2 ASN A 79 -8.330 34.275 1.232 1.00 21.37 N ATOM 615 HD22 ASN A 79 -7.380 34.226 1.652 1.00 0.00 H ATOM 616 HD21 ASN A 79 -8.546 35.000 0.518 1.00 0.00 H ATOM 617 H ASN A 79 -8.441 30.107 1.104 1.00 0.00 H ATOM 618 N ASP A 80 -6.057 30.036 3.247 1.00 23.20 N ATOM 619 CA ASP A 80 -5.610 29.020 4.176 1.00 22.47 C ATOM 620 C ASP A 80 -4.114 28.788 4.045 1.00 21.78 C ATOM 621 O ASP A 80 -3.535 28.984 2.974 1.00 21.61 O ATOM 622 CB ASP A 80 -6.380 27.717 3.919 1.00 23.20 C ATOM 623 CG ASP A 80 -6.242 26.721 5.049 1.00 25.31 C ATOM 624 OD1 ASP A 80 -7.109 26.716 5.948 1.00 26.55 O ATOM 625 OD2 ASP A 80 -5.256 25.947 5.044 1.00 26.97 O ATOM 626 H ASP A 80 -5.522 30.193 2.369 1.00 0.00 H ATOM 627 N LEU A 81 -3.513 28.382 5.162 1.00 21.80 N ATOM 628 CA LEU A 81 -2.119 27.943 5.240 1.00 23.32 C ATOM 629 C LEU A 81 -1.732 27.011 4.082 1.00 21.67 C ATOM 630 O LEU A 81 -0.695 27.206 3.450 1.00 23.00 O ATOM 631 CB LEU A 81 -1.900 27.240 6.590 1.00 23.75 C ATOM 632 CG LEU A 81 -0.560 26.586 6.924 1.00 25.09 C ATOM 633 CD1 LEU A 81 0.548 27.614 6.863 1.00 24.90 C ATOM 634 CD2 LEU A 81 -0.625 25.906 8.298 1.00 27.06 C ATOM 635 H LEU A 81 -4.072 28.377 6.039 1.00 0.00 H ATOM 636 N LEU A 82 -2.587 26.026 3.803 1.00 21.14 N ATOM 637 CA LEU A 82 -2.347 25.037 2.740 1.00 19.30 C ATOM 638 C LEU A 82 -2.154 25.682 1.358 1.00 18.37 C ATOM 639 O LEU A 82 -1.335 25.216 0.572 1.00 20.00 O ATOM 640 CB LEU A 82 -3.484 24.010 2.701 1.00 17.89 C ATOM 641 CG LEU A 82 -3.367 22.873 1.687 1.00 17.92 C ATOM 642 CD1 LEU A 82 -2.106 22.075 1.953 1.00 20.06 C ATOM 643 CD2 LEU A 82 -4.604 21.978 1.721 1.00 20.95 C ATOM 644 H LEU A 82 -3.462 25.954 4.361 1.00 0.00 H ATOM 645 N GLY A 83 -2.908 26.744 1.076 1.00 18.57 N ATOM 646 CA GLY A 83 -2.712 27.539 -0.147 1.00 20.00 C ATOM 647 C GLY A 83 -1.350 28.200 -0.239 1.00 19.36 C ATOM 648 O GLY A 83 -0.739 28.226 -1.309 1.00 20.41 O ATOM 649 H GLY A 83 -3.659 27.020 1.741 1.00 0.00 H ATOM 650 N ASP A 84 -0.877 28.721 0.890 1.00 20.78 N ATOM 651 CA ASP A 84 0.451 29.338 0.978 1.00 21.93 C ATOM 652 C ASP A 84 1.566 28.301 0.773 1.00 20.82 C ATOM 653 O ASP A 84 2.524 28.555 0.048 1.00 22.84 O ATOM 654 CB ASP A 84 0.626 30.067 2.322 1.00 21.26 C ATOM 655 CG ASP A 84 -0.410 31.171 2.538 1.00 24.90 C ATOM 656 OD1 ASP A 84 -0.910 31.753 1.546 1.00 22.80 O ATOM 657 OD2 ASP A 84 -0.725 31.448 3.712 1.00 26.09 O ATOM 658 H ASP A 84 -1.471 28.690 1.743 1.00 0.00 H ATOM 659 N LEU A 85 1.410 27.135 1.398 1.00 21.70 N ATOM 660 CA LEU A 85 2.324 25.982 1.228 1.00 22.53 C ATOM 661 C LEU A 85 2.423 25.502 -0.228 1.00 22.17 C ATOM 662 O LEU A 85 3.521 25.296 -0.758 1.00 19.91 O ATOM 663 CB LEU A 85 1.856 24.805 2.100 1.00 22.79 C ATOM 664 CG LEU A 85 2.204 24.869 3.586 1.00 30.19 C ATOM 665 CD1 LEU A 85 1.252 24.013 4.413 1.00 30.00 C ATOM 666 CD2 LEU A 85 3.645 24.438 3.809 1.00 32.90 C ATOM 667 H LEU A 85 0.600 27.028 2.042 1.00 0.00 H ATOM 668 N PHE A 86 1.265 25.328 -0.860 1.00 20.02 N ATOM 669 CA PHE A 86 1.175 24.745 -2.209 1.00 20.15 C ATOM 670 C PHE A 86 1.312 25.768 -3.350 1.00 19.23 C ATOM 671 O PHE A 86 1.644 25.391 -4.478 1.00 21.76 O ATOM 672 CB PHE A 86 -0.133 23.944 -2.340 1.00 18.87 C ATOM 673 CG PHE A 86 -0.094 22.560 -1.713 1.00 19.45 C ATOM 674 CD1 PHE A 86 0.945 22.136 -0.859 1.00 16.16 C ATOM 675 CD2 PHE A 86 -1.129 21.667 -1.974 1.00 21.93 C ATOM 676 CE1 PHE A 86 0.938 20.852 -0.304 1.00 19.82 C ATOM 677 CE2 PHE A 86 -1.141 20.397 -1.421 1.00 19.70 C ATOM 678 CZ PHE A 86 -0.109 19.984 -0.587 1.00 21.60 C ATOM 679 H PHE A 86 0.388 25.616 -0.381 1.00 0.00 H ATOM 680 N GLY A 87 1.095 27.045 -3.059 1.00 20.39 N ATOM 681 CA GLY A 87 1.175 28.100 -4.069 1.00 21.41 C ATOM 682 C GLY A 87 0.058 28.058 -5.105 1.00 20.74 C ATOM 683 O GLY A 87 0.251 28.488 -6.240 1.00 20.56 O ATOM 684 H GLY A 87 0.860 27.304 -2.080 1.00 0.00 H ATOM 685 N VAL A 88 -1.104 27.530 -4.713 1.00 18.96 N ATOM 686 CA VAL A 88 -2.295 27.479 -5.568 1.00 17.44 C ATOM 687 C VAL A 88 -3.528 27.824 -4.732 1.00 17.20 C ATOM 688 O VAL A 88 -3.552 27.550 -3.532 1.00 19.59 O ATOM 689 CB VAL A 88 -2.501 26.078 -6.214 1.00 17.45 C ATOM 690 CG1 VAL A 88 -1.392 25.764 -7.213 1.00 20.23 C ATOM 691 CG2 VAL A 88 -2.604 24.990 -5.161 1.00 14.60 C ATOM 692 H VAL A 88 -1.168 27.135 -3.753 1.00 0.00 H ATOM 693 N PRO A 89 -4.550 28.434 -5.354 1.00 18.55 N ATOM 694 CA PRO A 89 -5.800 28.713 -4.644 1.00 18.44 C ATOM 695 C PRO A 89 -6.702 27.475 -4.507 1.00 17.54 C ATOM 696 O PRO A 89 -7.641 27.488 -3.705 1.00 18.82 O ATOM 697 CB PRO A 89 -6.464 29.746 -5.542 1.00 18.12 C ATOM 698 CG PRO A 89 -6.047 29.342 -6.905 1.00 19.20 C ATOM 699 CD PRO A 89 -4.646 28.819 -6.777 1.00 19.01 C ATOM 700 N SER A 90 -6.434 26.450 -5.317 1.00 15.81 N ATOM 701 CA SER A 90 -7.188 25.203 -5.320 1.00 17.37 C ATOM 702 C SER A 90 -6.459 24.144 -6.147 1.00 19.99 C ATOM 703 O SER A 90 -5.579 24.467 -6.959 1.00 21.06 O ATOM 704 CB SER A 90 -8.608 25.409 -5.884 1.00 18.39 C ATOM 705 OG SER A 90 -8.587 25.900 -7.220 1.00 16.64 O ATOM 706 HG SER A 90 -9.516 26.017 -7.542 1.00 0.00 H ATOM 707 H SER A 90 -5.642 26.546 -5.984 1.00 0.00 H ATOM 708 N PHE A 91 -6.814 22.882 -5.934 1.00 19.42 N ATOM 709 CA PHE A 91 -6.296 21.795 -6.764 1.00 19.09 C ATOM 710 C PHE A 91 -7.246 20.610 -6.775 1.00 18.52 C ATOM 711 O PHE A 91 -8.056 20.457 -5.862 1.00 15.85 O ATOM 712 CB PHE A 91 -4.909 21.365 -6.282 1.00 18.12 C ATOM 713 CG PHE A 91 -4.888 20.845 -4.877 1.00 16.65 C ATOM 714 CD1 PHE A 91 -4.712 21.706 -3.793 1.00 18.84 C ATOM 715 CD2 PHE A 91 -5.056 19.495 -4.629 1.00 18.04 C ATOM 716 CE1 PHE A 91 -4.698 21.212 -2.492 1.00 16.83 C ATOM 717 CE2 PHE A 91 -5.043 19.005 -3.328 1.00 16.34 C ATOM 718 CZ PHE A 91 -4.857 19.856 -2.266 1.00 17.47 C ATOM 719 H PHE A 91 -7.474 22.662 -5.161 1.00 0.00 H ATOM 720 N SER A 92 -7.129 19.781 -7.809 1.00 19.52 N ATOM 721 CA SER A 92 -7.913 18.550 -7.921 1.00 20.45 C ATOM 722 C SER A 92 -7.222 17.433 -7.156 1.00 19.89 C ATOM 723 O SER A 92 -6.022 17.247 -7.313 1.00 19.92 O ATOM 724 CB SER A 92 -8.069 18.134 -9.383 1.00 20.89 C ATOM 725 OG SER A 92 -8.625 16.835 -9.482 1.00 23.19 O ATOM 726 HG SER A 92 -8.716 16.588 -10.436 1.00 0.00 H ATOM 727 H SER A 92 -6.456 20.016 -8.566 1.00 0.00 H ATOM 728 N VAL A 93 -7.984 16.679 -6.359 1.00 20.58 N ATOM 729 CA VAL A 93 -7.443 15.497 -5.642 1.00 21.19 C ATOM 730 C VAL A 93 -7.058 14.321 -6.558 1.00 21.46 C ATOM 731 O VAL A 93 -6.376 13.399 -6.111 1.00 23.20 O ATOM 732 CB VAL A 93 -8.421 14.958 -4.550 1.00 22.07 C ATOM 733 CG1 VAL A 93 -8.726 16.035 -3.520 1.00 23.20 C ATOM 734 CG2 VAL A 93 -9.704 14.424 -5.173 1.00 19.63 C ATOM 735 H VAL A 93 -8.986 16.928 -6.237 1.00 0.00 H ATOM 736 N LYS A 94 -7.509 14.345 -7.813 1.00 22.85 N ATOM 737 CA LYS A 94 -7.186 13.303 -8.800 1.00 24.76 C ATOM 738 C LYS A 94 -5.775 13.440 -9.387 1.00 26.03 C ATOM 739 O LYS A 94 -5.236 12.468 -9.923 1.00 27.48 O ATOM 740 CB LYS A 94 -8.216 13.318 -9.937 1.00 25.92 C ATOM 741 CG LYS A 94 -8.192 12.133 -10.880 1.00 27.92 C ATOM 742 CD LYS A 94 -9.363 12.155 -11.850 1.00 28.13 C ATOM 743 CE LYS A 94 -9.288 11.003 -12.838 1.00 28.15 C ATOM 744 NZ LYS A 94 -10.427 11.013 -13.797 1.00 28.14 N ATOM 745 HZ1 LYS A 94 -11.321 10.933 -13.272 1.00 0.00 H ATOM 746 HZ2 LYS A 94 -10.418 11.903 -14.335 1.00 0.00 H ATOM 747 HZ3 LYS A 94 -10.335 10.210 -14.451 1.00 0.00 H ATOM 748 H LYS A 94 -8.117 15.136 -8.107 1.00 0.00 H ATOM 749 N GLU A 95 -5.195 14.640 -9.292 1.00 26.24 N ATOM 750 CA GLU A 95 -3.866 14.941 -9.839 1.00 26.36 C ATOM 751 C GLU A 95 -2.783 14.577 -8.819 1.00 24.11 C ATOM 752 O GLU A 95 -2.186 15.455 -8.192 1.00 23.64 O ATOM 753 CB GLU A 95 -3.785 16.421 -10.239 1.00 27.65 C ATOM 754 CG GLU A 95 -4.783 16.809 -11.344 1.00 31.30 C ATOM 755 CD GLU A 95 -4.788 18.297 -11.682 1.00 35.37 C ATOM 756 OE1 GLU A 95 -4.297 19.122 -10.874 1.00 41.55 O ATOM 757 OE2 GLU A 95 -5.306 18.643 -12.765 1.00 41.67 O ATOM 758 H GLU A 95 -5.712 15.400 -8.805 1.00 0.00 H ATOM 759 N HIS A 96 -2.540 13.274 -8.675 1.00 24.38 N ATOM 760 CA HIS A 96 -1.643 12.722 -7.648 1.00 23.76 C ATOM 761 C HIS A 96 -0.190 13.182 -7.771 1.00 22.55 C ATOM 762 O HIS A 96 0.427 13.563 -6.776 1.00 19.90 O ATOM 763 CB HIS A 96 -1.682 11.192 -7.687 1.00 25.54 C ATOM 764 CG HIS A 96 -2.761 10.587 -6.843 1.00 28.85 C ATOM 765 ND1 HIS A 96 -4.027 11.123 -6.754 1.00 31.62 N ATOM 766 CD2 HIS A 96 -2.767 9.477 -6.066 1.00 30.04 C ATOM 767 CE1 HIS A 96 -4.762 10.377 -5.948 1.00 31.98 C ATOM 768 NE2 HIS A 96 -4.021 9.372 -5.518 1.00 31.16 N ATOM 769 H HIS A 96 -3.010 12.612 -9.324 1.00 0.00 H ATOM 770 N ARG A 97 0.348 13.146 -8.988 1.00 21.19 N ATOM 771 CA ARG A 97 1.750 13.547 -9.230 1.00 21.92 C ATOM 772 C ARG A 97 1.970 15.033 -8.902 1.00 20.51 C ATOM 773 O ARG A 97 2.986 15.398 -8.296 1.00 19.88 O ATOM 774 CB ARG A 97 2.178 13.242 -10.673 1.00 22.67 C ATOM 775 CG ARG A 97 2.057 11.778 -11.077 1.00 26.07 C ATOM 776 CD ARG A 97 2.401 11.582 -12.551 1.00 29.24 C ATOM 777 NE ARG A 97 1.693 10.448 -13.135 1.00 37.59 N ATOM 778 CZ ARG A 97 0.439 10.499 -13.654 1.00 38.95 C ATOM 779 NH1 ARG A 97 -0.285 11.617 -13.643 1.00 39.38 N ATOM 780 NH2 ARG A 97 -0.100 9.402 -14.176 1.00 39.34 N ATOM 781 HE ARG A 97 2.185 9.532 -13.155 1.00 0.00 H ATOM 782 HH12 ARG A 97 -1.242 11.621 -14.049 1.00 0.00 H ATOM 783 HH11 ARG A 97 0.107 12.486 -13.228 1.00 0.00 H ATOM 784 HH22 ARG A 97 -1.060 9.434 -14.575 1.00 0.00 H ATOM 785 HH21 ARG A 97 0.438 8.512 -14.185 1.00 0.00 H ATOM 786 H ARG A 97 -0.233 12.827 -9.789 1.00 0.00 H ATOM 787 N LYS A 98 0.989 15.871 -9.245 1.00 20.83 N ATOM 788 CA LYS A 98 1.040 17.301 -8.919 1.00 20.02 C ATOM 789 C LYS A 98 0.980 17.553 -7.408 1.00 19.19 C ATOM 790 O LYS A 98 1.630 18.467 -6.906 1.00 17.44 O ATOM 791 CB LYS A 98 -0.075 18.061 -9.635 1.00 22.03 C ATOM 792 CG LYS A 98 0.038 18.080 -11.163 1.00 23.39 C ATOM 793 CD LYS A 98 1.145 19.008 -11.645 1.00 23.60 C ATOM 794 CE LYS A 98 1.158 19.115 -13.161 1.00 23.56 C ATOM 795 NZ LYS A 98 2.231 20.026 -13.648 1.00 23.43 N ATOM 796 HZ1 LYS A 98 2.080 20.978 -13.256 1.00 0.00 H ATOM 797 HZ2 LYS A 98 3.157 19.665 -13.340 1.00 0.00 H ATOM 798 HZ3 LYS A 98 2.203 20.069 -14.687 1.00 0.00 H ATOM 799 H LYS A 98 0.164 15.500 -9.758 1.00 0.00 H ATOM 800 N ILE A 99 0.221 16.733 -6.684 1.00 16.78 N ATOM 801 CA ILE A 99 0.153 16.840 -5.217 1.00 17.21 C ATOM 802 C ILE A 99 1.505 16.499 -4.580 1.00 15.43 C ATOM 803 O ILE A 99 1.979 17.235 -3.718 1.00 15.09 O ATOM 804 CB ILE A 99 -1.005 15.988 -4.621 1.00 17.47 C ATOM 805 CG1 ILE A 99 -2.351 16.614 -5.002 1.00 16.09 C ATOM 806 CG2 ILE A 99 -0.871 15.874 -3.102 1.00 18.74 C ATOM 807 CD1 ILE A 99 -3.527 15.651 -4.988 1.00 19.97 C ATOM 808 H ILE A 99 -0.337 16.000 -7.166 1.00 0.00 H ATOM 809 N TYR A 100 2.156 15.435 -5.061 1.00 15.56 N ATOM 810 CA TYR A 100 3.478 15.069 -4.548 1.00 15.42 C ATOM 811 C TYR A 100 4.479 16.184 -4.797 1.00 15.53 C ATOM 812 O TYR A 100 5.288 16.482 -3.916 1.00 18.60 O ATOM 813 CB TYR A 100 3.984 13.754 -5.155 1.00 13.05 C ATOM 814 CG TYR A 100 3.435 12.522 -4.478 1.00 13.48 C ATOM 815 CD1 TYR A 100 3.854 12.162 -3.194 1.00 21.61 C ATOM 816 CD2 TYR A 100 2.501 11.702 -5.114 1.00 16.72 C ATOM 817 CE1 TYR A 100 3.336 11.029 -2.559 1.00 19.45 C ATOM 818 CE2 TYR A 100 1.999 10.549 -4.491 1.00 23.42 C ATOM 819 CZ TYR A 100 2.420 10.229 -3.209 1.00 23.00 C ATOM 820 OH TYR A 100 1.935 9.101 -2.584 1.00 27.32 O ATOM 821 HH TYR A 100 2.337 9.026 -1.683 1.00 0.00 H ATOM 822 H TYR A 100 1.718 14.860 -5.809 1.00 0.00 H ATOM 823 N THR A 101 4.411 16.808 -5.973 1.00 17.12 N ATOM 824 CA THR A 101 5.333 17.893 -6.319 1.00 17.35 C ATOM 825 C THR A 101 5.154 19.077 -5.364 1.00 16.84 C ATOM 826 O THR A 101 6.144 19.645 -4.881 1.00 15.14 O ATOM 827 CB THR A 101 5.175 18.350 -7.782 1.00 17.85 C ATOM 828 OG1 THR A 101 5.496 17.263 -8.661 1.00 15.39 O ATOM 829 CG2 THR A 101 6.102 19.527 -8.080 1.00 14.86 C ATOM 830 HG1 THR A 101 4.884 16.505 -8.484 1.00 0.00 H ATOM 831 H THR A 101 3.687 16.518 -6.661 1.00 0.00 H ATOM 832 N MET A 102 3.897 19.411 -5.064 1.00 17.74 N ATOM 833 CA MET A 102 3.592 20.507 -4.146 1.00 18.04 C ATOM 834 C MET A 102 4.060 20.207 -2.722 1.00 16.89 C ATOM 835 O MET A 102 4.599 21.098 -2.061 1.00 17.29 O ATOM 836 CB MET A 102 2.096 20.859 -4.173 1.00 16.88 C ATOM 837 CG MET A 102 1.678 21.544 -5.462 1.00 20.55 C ATOM 838 SD MET A 102 -0.056 22.034 -5.539 1.00 20.19 S ATOM 839 CE MET A 102 -0.896 20.464 -5.421 1.00 16.89 C ATOM 840 H MET A 102 3.115 18.878 -5.494 1.00 0.00 H ATOM 841 N ILE A 103 3.864 18.966 -2.267 1.00 15.81 N ATOM 842 CA ILE A 103 4.340 18.520 -0.944 1.00 19.63 C ATOM 843 C ILE A 103 5.886 18.548 -0.870 1.00 21.63 C ATOM 844 O ILE A 103 6.455 18.997 0.129 1.00 22.22 O ATOM 845 CB ILE A 103 3.791 17.112 -0.580 1.00 19.04 C ATOM 846 CG1 ILE A 103 2.266 17.166 -0.431 1.00 17.21 C ATOM 847 CG2 ILE A 103 4.420 16.579 0.719 1.00 20.36 C ATOM 848 CD1 ILE A 103 1.578 15.787 -0.404 1.00 21.35 C ATOM 849 H ILE A 103 3.356 18.288 -2.870 1.00 0.00 H ATOM 850 N TYR A 104 6.549 18.090 -1.931 1.00 20.86 N ATOM 851 CA TYR A 104 8.028 18.018 -1.944 1.00 21.08 C ATOM 852 C TYR A 104 8.741 19.365 -1.827 1.00 21.57 C ATOM 853 O TYR A 104 9.826 19.434 -1.260 1.00 22.99 O ATOM 854 CB TYR A 104 8.539 17.247 -3.166 1.00 23.20 C ATOM 855 CG TYR A 104 8.718 15.778 -2.882 1.00 23.84 C ATOM 856 CD1 TYR A 104 7.652 14.997 -2.438 1.00 31.64 C ATOM 857 CD2 TYR A 104 9.957 15.168 -3.022 1.00 27.99 C ATOM 858 CE1 TYR A 104 7.814 13.647 -2.160 1.00 31.36 C ATOM 859 CE2 TYR A 104 10.126 13.817 -2.747 1.00 28.91 C ATOM 860 CZ TYR A 104 9.057 13.060 -2.324 1.00 32.74 C ATOM 861 OH TYR A 104 9.238 11.722 -2.057 1.00 38.38 O ATOM 862 HH TYR A 104 8.379 11.326 -1.766 1.00 0.00 H ATOM 863 H TYR A 104 6.017 17.776 -2.768 1.00 0.00 H ATOM 864 N ARG A 105 8.127 20.427 -2.331 1.00 21.61 N ATOM 865 CA ARG A 105 8.657 21.787 -2.145 1.00 21.47 C ATOM 866 C ARG A 105 8.706 22.255 -0.676 1.00 18.87 C ATOM 867 O ARG A 105 9.419 23.210 -0.349 1.00 18.13 O ATOM 868 CB ARG A 105 7.862 22.776 -3.002 1.00 24.40 C ATOM 869 CG ARG A 105 8.275 22.729 -4.476 1.00 32.59 C ATOM 870 CD ARG A 105 7.138 22.978 -5.454 1.00 36.63 C ATOM 871 NE ARG A 105 7.566 22.778 -6.846 1.00 39.31 N ATOM 872 CZ ARG A 105 6.793 22.950 -7.922 1.00 39.85 C ATOM 873 NH1 ARG A 105 5.520 23.329 -7.797 1.00 37.78 N ATOM 874 NH2 ARG A 105 7.297 22.740 -9.141 1.00 41.36 N ATOM 875 HE ARG A 105 8.549 22.479 -7.006 1.00 0.00 H ATOM 876 HH12 ARG A 105 4.931 23.459 -8.644 1.00 0.00 H ATOM 877 HH11 ARG A 105 5.117 23.495 -6.853 1.00 0.00 H ATOM 878 HH22 ARG A 105 6.699 22.873 -9.981 1.00 0.00 H ATOM 879 HH21 ARG A 105 8.288 22.444 -9.250 1.00 0.00 H ATOM 880 H ARG A 105 7.248 20.295 -2.872 1.00 0.00 H ATOM 881 N ASN A 106 7.949 21.579 0.187 1.00 18.69 N ATOM 882 CA ASN A 106 7.871 21.885 1.608 1.00 18.13 C ATOM 883 C ASN A 106 8.558 20.869 2.534 1.00 17.15 C ATOM 884 O ASN A 106 8.288 20.868 3.729 1.00 16.42 O ATOM 885 CB ASN A 106 6.395 22.044 1.979 1.00 20.02 C ATOM 886 CG ASN A 106 5.758 23.225 1.281 1.00 21.19 C ATOM 887 OD1 ASN A 106 6.010 24.374 1.637 1.00 25.23 O ATOM 888 ND2 ASN A 106 4.938 22.950 0.269 1.00 20.29 N ATOM 889 HD22 ASN A 106 4.754 21.962 0.003 1.00 0.00 H ATOM 890 HD21 ASN A 106 4.481 23.723 -0.255 1.00 0.00 H ATOM 891 H ASN A 106 7.381 20.787 -0.175 1.00 0.00 H ATOM 892 N LEU A 107 9.459 20.039 1.999 1.00 16.49 N ATOM 893 CA LEU A 107 10.187 19.048 2.807 1.00 16.33 C ATOM 894 C LEU A 107 11.552 18.687 2.235 1.00 17.25 C ATOM 895 O LEU A 107 11.901 19.101 1.126 1.00 17.70 O ATOM 896 CB LEU A 107 9.334 17.781 3.015 1.00 16.27 C ATOM 897 CG LEU A 107 8.875 16.981 1.785 1.00 17.52 C ATOM 898 CD1 LEU A 107 10.006 16.172 1.151 1.00 21.42 C ATOM 899 CD2 LEU A 107 7.713 16.067 2.165 1.00 19.03 C ATOM 900 H LEU A 107 9.652 20.096 0.979 1.00 0.00 H ATOM 901 N VAL A 108 12.309 17.927 3.019 1.00 17.30 N ATOM 902 CA VAL A 108 13.607 17.384 2.631 1.00 18.37 C ATOM 903 C VAL A 108 13.610 15.878 2.887 1.00 20.51 C ATOM 904 O VAL A 108 13.253 15.428 3.980 1.00 21.01 O ATOM 905 CB VAL A 108 14.734 18.036 3.448 1.00 19.22 C ATOM 906 CG1 VAL A 108 16.074 17.424 3.083 1.00 16.23 C ATOM 907 CG2 VAL A 108 14.739 19.551 3.239 1.00 20.93 C ATOM 908 H VAL A 108 11.954 17.705 3.971 1.00 0.00 H ATOM 909 N VAL A 109 14.021 15.104 1.886 1.00 20.27 N ATOM 910 CA VAL A 109 14.028 13.645 1.982 1.00 20.30 C ATOM 911 C VAL A 109 15.157 13.149 2.911 1.00 19.38 C ATOM 912 O VAL A 109 16.236 13.751 2.951 1.00 20.22 O ATOM 913 CB VAL A 109 14.173 12.998 0.580 1.00 21.38 C ATOM 914 CG1 VAL A 109 14.307 11.504 0.702 1.00 21.74 C ATOM 915 CG2 VAL A 109 12.976 13.377 -0.314 1.00 23.64 C ATOM 916 H VAL A 109 14.348 15.552 1.006 1.00 0.00 H ATOM 917 N VAL A 110 14.882 12.069 3.649 1.00 18.13 N ATOM 918 CA VAL A 110 15.836 11.435 4.576 1.00 19.55 C ATOM 919 C VAL A 110 16.326 10.101 3.998 1.00 21.76 C ATOM 920 O VAL A 110 15.517 9.232 3.659 1.00 20.92 O ATOM 921 CB VAL A 110 15.179 11.136 5.948 1.00 19.01 C ATOM 922 CG1 VAL A 110 16.184 10.495 6.923 1.00 18.13 C ATOM 923 CG2 VAL A 110 14.562 12.392 6.543 1.00 19.63 C ATOM 924 H VAL A 110 13.934 11.649 3.564 1.00 0.00 H ATOM 925 N ASN A 111 17.642 9.944 3.892 1.00 25.97 N ATOM 926 CA ASN A 111 18.261 8.668 3.499 1.00 29.24 C ATOM 927 C ASN A 111 19.617 8.486 4.167 1.00 31.51 C ATOM 928 O ASN A 111 20.123 7.365 4.284 1.00 32.99 O ATOM 929 CB ASN A 111 18.404 8.571 1.969 1.00 30.38 C ATOM 930 CG ASN A 111 17.270 7.781 1.317 1.00 27.77 C ATOM 931 OD1 ASN A 111 17.110 6.585 1.566 1.00 34.76 O ATOM 932 ND2 ASN A 111 16.495 8.444 0.466 1.00 27.42 N ATOM 933 OXT ASN A 111 20.233 9.457 4.615 1.00 34.06 O ATOM 934 HD22 ASN A 111 16.666 9.454 0.285 1.00 0.00 H ATOM 935 HD21 ASN A 111 15.717 7.953 -0.020 1.00 0.00 H ATOM 936 H ASN A 111 18.259 10.756 4.095 1.00 0.00 H TER 937 ASN A 111 HETATM 938 O HOH 1 -11.678 25.870 6.855 1.00 41.96 O HETATM 939 O HOH 2 4.114 5.277 8.142 1.00 33.81 O HETATM 940 O HOH 3 6.517 0.316 -5.389 1.00 30.92 O HETATM 941 O HOH 4 -2.162 8.816 -10.666 1.00 55.39 O HETATM 942 O HOH 5 -5.657 9.455 3.986 1.00 41.49 O HETATM 943 O HOH 6 8.701 19.586 -5.701 1.00 38.77 O HETATM 944 O HOH 7 12.762 20.332 -1.122 1.00 43.40 O HETATM 945 O HOH 8 13.631 7.628 2.568 1.00 31.52 O HETATM 946 O HOH 9 -7.738 11.163 -4.469 1.00 44.41 O HETATM 947 O HOH 10 -1.732 11.562 -11.342 1.00 43.13 O HETATM 948 O HOH 11 2.297 5.250 -3.314 1.00 42.58 O HETATM 949 O HOH 12 17.688 16.448 6.412 1.00 45.91 O HETATM 950 O HOH 13 1.359 24.253 14.624 1.00 43.63 O HETATM 951 O HOH 14 4.492 23.649 -3.153 1.00 47.15 O HETATM 952 O HOH 15 11.073 18.583 10.286 1.00 34.56 O HETATM 953 O HOH 16 8.417 8.713 11.982 1.00 43.51 O HETATM 954 O HOH 17 13.850 19.833 6.252 1.00 36.87 O HETATM 955 O HOH 18 7.028 24.196 4.472 1.00 32.36 O HETATM 956 O HOH 19 11.244 22.366 9.943 1.00 39.74 O HETATM 957 O HOH 20 -7.298 32.288 7.076 1.00 62.01 O HETATM 958 O HOH 21 -4.901 28.537 7.839 1.00 48.45 O HETATM 959 O HOH 22 -6.571 11.324 5.714 1.00 32.80 O HETATM 960 O HOH 23 2.998 12.265 14.860 1.00 38.51 O HETATM 961 O HOH 24 12.307 17.551 -2.153 1.00 54.55 O HETATM 962 O HOH 25 -10.076 28.201 1.817 1.00 50.86 O HETATM 963 O HOH 26 -1.054 14.226 -11.842 1.00 52.26 O HETATM 964 O HOH 27 -8.161 9.007 -6.328 1.00 51.82 O HETATM 965 O HOH 28 13.403 21.834 8.010 1.00 49.77 O HETATM 966 O HOH 29 10.660 2.473 -0.405 1.00 39.85 O HETATM 967 O HOH 30 -12.040 29.071 0.202 1.00 43.00 O HETATM 968 O HOH 31 10.928 20.784 -4.364 1.00 44.27 O HETATM 969 O HOH 32 -16.451 25.999 3.446 1.00 50.24 O HETATM 970 C2 UNN A 33 -2.064 11.304 -2.928 1.00 0.03 C HETATM 971 C3 UNN A 33 -1.457 10.219 -2.319 1.00 -0.05 C HETATM 972 C4 UNN A 33 -2.161 9.478 -1.379 1.00 -0.07 C HETATM 973 C5 UNN A 33 -3.473 9.811 -1.057 1.00 -0.06 C HETATM 974 C6 UNN A 33 -4.091 10.905 -1.675 1.00 -0.04 C HETATM 975 C7 UNN A 33 -3.372 11.632 -2.614 1.00 -0.05 C HETATM 976 H4 UNN A 33 -3.844 12.472 -3.111 1.00 0.06 H HETATM 977 C8 UNN A 33 -5.520 11.355 -1.406 1.00 0.06 C HETATM 978 C10 UNN A 33 -6.519 10.195 -1.144 1.00 0.02 C HETATM 979 N12 UNN A 33 -6.982 9.593 -2.399 1.00 0.23 N HETATM 980 H19 UNN A 33 -7.627 8.846 -2.195 1.00 0.20 H HETATM 981 H20 UNN A 33 -6.192 9.226 -2.907 1.00 0.20 H HETATM 982 H21 UNN A 33 -7.445 10.293 -2.957 1.00 0.20 H HETATM 983 C13 UNN A 33 -7.682 10.905 -0.428 1.00 0.01 C HETATM 984 N14 UNN A 33 -7.192 12.286 -0.108 1.00 0.18 N HETATM 985 C15 UNN A 33 -7.816 12.903 1.086 1.00 -0.03 C HETATM 986 C16 UNN A 33 -9.067 13.706 0.701 1.00 0.00 C HETATM 987 C17 UNN A 33 -10.187 12.798 0.181 1.00 -0.06 C HETATM 988 H8 UNN A 33 -11.062 13.410 -0.083 1.00 0.02 H HETATM 989 H9 UNN A 33 -10.466 12.076 0.963 1.00 0.02 H HETATM 990 H10 UNN A 33 -9.836 12.256 -0.710 1.00 0.02 H HETATM 991 C18 UNN A 33 -9.580 14.411 1.949 1.00 -0.06 C HETATM 992 H11 UNN A 33 -8.795 15.072 2.346 1.00 0.02 H HETATM 993 H12 UNN A 33 -9.848 13.662 2.709 1.00 0.02 H HETATM 994 H13 UNN A 33 -10.468 15.008 1.694 1.00 0.02 H HETATM 995 C19 UNN A 33 -8.718 14.783 -0.330 1.00 -0.06 C HETATM 996 H14 UNN A 33 -8.343 14.305 -1.247 1.00 0.02 H HETATM 997 H15 UNN A 33 -7.943 15.447 0.081 1.00 0.02 H HETATM 998 H16 UNN A 33 -9.617 15.371 -0.565 1.00 0.02 H HETATM 999 H6 UNN A 33 -8.101 12.110 1.793 1.00 0.08 H HETATM 1000 H7 UNN A 33 -7.089 13.576 1.564 1.00 0.08 H HETATM 1001 C20 UNN A 33 -5.700 12.248 -0.165 1.00 0.08 C HETATM 1002 C21 UNN A 33 -5.074 13.612 -0.360 1.00 0.02 C HETATM 1003 C27 UNN A 33 -4.180 13.787 0.692 1.00 0.10 C HETATM 1004 C26 UNN A 33 -3.434 14.968 0.806 1.00 0.00 C HETATM 1005 C24 UNN A 33 -3.571 15.975 -0.133 1.00 0.06 C HETATM 1006 C23 UNN A 33 -4.462 15.793 -1.185 1.00 -0.03 C HETATM 1007 C22 UNN A 33 -5.216 14.624 -1.294 1.00 -0.05 C HETATM 1008 H25 UNN A 33 -5.916 14.508 -2.114 1.00 0.08 H HETATM 1009 H17 UNN A 33 -4.572 16.571 -1.932 1.00 0.06 H HETATM 1010 CL2 UNN A 33 -2.616 17.422 0.037 1.00 -0.05 CL HETATM 1011 H26 UNN A 33 -2.746 15.093 1.634 1.00 0.06 H HETATM 1012 N28 UNN A 33 -4.190 12.671 1.513 1.00 -0.22 N HETATM 1013 C29 UNN A 33 -5.044 11.723 1.094 1.00 0.26 C HETATM 1014 O30 UNN A 33 -5.221 10.661 1.649 1.00 -0.31 O HETATM 1015 H27 UNN A 33 -3.622 12.581 2.331 1.00 0.24 H HETATM 1016 H24 UNN A 33 -7.481 12.874 -0.874 1.00 0.20 H HETATM 1017 H22 UNN A 33 -7.945 10.370 0.496 1.00 0.09 H HETATM 1018 H23 UNN A 33 -8.562 10.955 -1.086 1.00 0.09 H HETATM 1019 H18 UNN A 33 -6.069 9.420 -0.506 1.00 0.09 H HETATM 1020 H5 UNN A 33 -5.846 11.914 -2.296 1.00 0.04 H HETATM 1021 H3 UNN A 33 -4.017 9.223 -0.327 1.00 0.06 H HETATM 1022 H2 UNN A 33 -1.685 8.634 -0.893 1.00 0.06 H HETATM 1023 H1 UNN A 33 -0.439 9.950 -2.574 1.00 0.06 H HETATM 1024 CL1 UNN A 33 -1.230 12.242 -4.107 1.00 -0.07 CL CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 970 971 975 1024 CONECT 971 970 972 1023 CONECT 972 971 973 1022 CONECT 973 972 974 1021 CONECT 974 973 975 977 CONECT 975 970 974 976 CONECT 976 975 CONECT 977 974 978 1001 1020 CONECT 978 977 979 983 1019 CONECT 979 978 980 981 982 CONECT 980 979 CONECT 981 979 CONECT 982 979 CONECT 983 978 984 1017 1018 CONECT 984 983 985 1001 1016 CONECT 985 984 986 999 1000 CONECT 986 985 987 991 995 CONECT 987 986 988 989 990 CONECT 988 987 CONECT 989 987 CONECT 990 987 CONECT 991 986 992 993 994 CONECT 992 991 CONECT 993 991 CONECT 994 991 CONECT 995 986 996 997 998 CONECT 996 995 CONECT 997 995 CONECT 998 995 CONECT 999 985 CONECT 1000 985 CONECT 1001 977 984 1002 1013 CONECT 1002 1001 1003 1007 CONECT 1003 1002 1004 1012 CONECT 1004 1003 1005 1011 CONECT 1005 1004 1006 1010 CONECT 1006 1005 1007 1009 CONECT 1007 1002 1006 1008 CONECT 1008 1007 CONECT 1009 1006 CONECT 1010 1005 CONECT 1011 1004 CONECT 1012 1003 1013 1015 CONECT 1013 1001 1012 1014 CONECT 1014 1013 CONECT 1015 1012 CONECT 1016 984 CONECT 1017 983 CONECT 1018 983 CONECT 1019 978 CONECT 1020 977 CONECT 1021 973 CONECT 1022 972 CONECT 1023 971 CONECT 1024 970 MASTER 0 0 0 0 0 0 0 0 1023 1 59 8 END
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Related entries of code: 5lav
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
85aa, >1RV1_1|Chains... at 98%
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RCSB PDB
PDBbind
96aa, >1T4E_1|Chains... at 98%
2axi
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115aa, >2AXI_1|Chain... at 95%
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110aa, >2GV2_1|Chain... at 99%
2lzg
RCSB PDB
PDBbind
125aa, >2LZG_1|Chain... at 100%
3jzk
RCSB PDB
PDBbind
96aa, >3JZK_1|Chain... at 98%
3lbk
RCSB PDB
PDBbind
95aa, >3LBK_1|Chain... at 97%
3lbl
RCSB PDB
PDBbind
95aa, >3LBL_1|Chains... at 98%
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RCSB PDB
PDBbind
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3tu1
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
85aa, >3VBG_1|Chains... at 98%
3vzv
RCSB PDB
PDBbind
87aa, >3VZV_1|Chains... at 96%
3w69
RCSB PDB
PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
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4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
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5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
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RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
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RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5lav
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
6SK
EC.Number
E.C.6.3.2
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
IC50=819nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J. Med. Chem. Vol. 59: pp. 10147-10162
Ligand Properties
Formula
C
2
2
H
2
7
Cl
2
N
3
O
Molecular Weight
420.375
Exact Mass
419.153
No. of atoms
55
No. of bonds
58
Polar Surface Area
61.18
LOGP Value
4.39 (
Computed with XLOGP3
)
4.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 4
Canonical SMILES
Clc1ccc2c(c1)NC(=O)[C@]12[N@@H+](C[C@H]([C@@H]1c1cccc(c1)Cl)[NH3+])CC(C)(C)C
InChI String
InChI=1S/C22H25Cl2N3O/c1-21(2,3)12-27-11-17(25)19(13-5-4-6-14(23)9-13)22(27)16-8-7-15(24)10-18(16)26-20(22)28/h4-10,17,19H,11-12,25H2,1-3H3,(H,26,28)/p+2/t17-,19+,22-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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