Browse entries in the PDBbind-CN Database
HEADER 2RVN_COMPLEX COMPND 2RVN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 GLY SER HIS MET GLY LYS LYS THR LYS ARG THR ALA ASP SEQRES 2 A 83 SEP SEP SEP SEP GLU ASP GLU GLU GLU TYR VAL VAL GLU SEQRES 3 A 83 LYS VAL LEU ASP ARG ARG MET VAL LYS GLY GLN VAL GLU SEQRES 4 A 83 TYR LEU LEU LYS TRP LYS GLY PHE SER GLU GLU HIS ASN SEQRES 5 A 83 THR TRP GLU PRO GLU LYS ASN LEU ASP CYS PRO GLU LEU SEQRES 6 A 83 ILE SER GLU PHE MET LYS LYS TYR LYS LYS MET LYS GLU SEQRES 7 A 83 GLY GLU ASN ASN LYS HET SEP A 11 11 HET SEP A 12 11 HET SEP A 13 11 HET SEP A 14 11 HET ALA A 84 299 ATOM 1 N GLY A -2 -37.526 -29.227 33.768 1.00 13.00 N ATOM 2 CA GLY A -2 -36.785 -29.226 32.521 1.00 45.03 C ATOM 3 C GLY A -2 -35.996 -30.504 32.314 1.00 71.10 C ATOM 4 O GLY A -2 -35.033 -30.770 33.033 1.00 62.34 O ATOM 5 HN3 GLY A -2 -36.864 -29.328 34.563 1.00 0.00 H ATOM 6 HN2 GLY A -2 -38.196 -30.022 33.771 1.00 0.00 H ATOM 7 HN1 GLY A -2 -38.047 -28.332 33.861 1.00 0.00 H ATOM 8 N SER A -1 -36.406 -31.298 31.330 1.00 35.12 N ATOM 9 CA SER A -1 -35.735 -32.558 31.034 1.00 30.35 C ATOM 10 C SER A -1 -35.471 -32.695 29.538 1.00 4.11 C ATOM 11 O SER A -1 -36.196 -32.136 28.714 1.00 24.42 O ATOM 12 CB SER A -1 -36.578 -33.737 31.525 1.00 72.14 C ATOM 13 OG SER A -1 -36.462 -33.899 32.928 1.00 42.14 O ATOM 14 HG SER A -1 -37.016 -34.667 33.217 1.00 0.00 H ATOM 15 H SER A -1 -37.226 -31.013 30.757 1.00 0.00 H ATOM 16 N HIS A 0 -34.426 -33.442 29.194 1.00 73.01 N ATOM 17 CA HIS A 0 -34.065 -33.653 27.797 1.00 70.53 C ATOM 18 C HIS A 0 -35.029 -34.629 27.128 1.00 23.20 C ATOM 19 O HIS A 0 -35.106 -35.798 27.506 1.00 3.44 O ATOM 20 CB HIS A 0 -32.633 -34.180 27.692 1.00 35.22 C ATOM 21 CG HIS A 0 -31.592 -33.152 28.011 1.00 12.01 C ATOM 22 ND1 HIS A 0 -30.908 -33.119 29.208 1.00 34.41 N ATOM 23 CD2 HIS A 0 -31.118 -32.116 27.280 1.00 23.22 C ATOM 24 CE1 HIS A 0 -30.060 -32.107 29.200 1.00 24.14 C ATOM 25 NE2 HIS A 0 -30.167 -31.483 28.041 1.00 4.55 N ATOM 26 H HIS A 0 -33.852 -33.886 29.939 1.00 0.00 H ATOM 27 N MET A 1 -35.762 -34.141 26.133 1.00 11.20 N ATOM 28 CA MET A 1 -36.720 -34.970 25.412 1.00 74.41 C ATOM 29 C MET A 1 -36.742 -34.612 23.929 1.00 14.14 C ATOM 30 O MET A 1 -36.832 -33.440 23.566 1.00 60.14 O ATOM 31 CB MET A 1 -38.119 -34.807 26.009 1.00 75.21 C ATOM 32 CG MET A 1 -38.988 -36.047 25.871 1.00 64.32 C ATOM 33 SD MET A 1 -40.736 -35.705 26.147 1.00 73.24 S ATOM 34 CE MET A 1 -41.126 -34.738 24.690 1.00 1.24 C ATOM 35 H MET A 1 -35.649 -33.143 25.862 1.00 0.00 H ATOM 36 N GLY A 2 -36.660 -35.630 23.077 1.00 2.55 N ATOM 37 CA GLY A 2 -36.671 -35.400 21.645 1.00 75.15 C ATOM 38 C GLY A 2 -35.427 -34.681 21.162 1.00 14.34 C ATOM 39 O GLY A 2 -35.394 -33.451 21.108 1.00 63.24 O ATOM 40 H GLY A 2 -36.587 -36.601 23.441 1.00 0.00 H ATOM 41 N LYS A 3 -34.400 -35.448 20.813 1.00 13.30 N ATOM 42 CA LYS A 3 -33.147 -34.877 20.333 1.00 31.33 C ATOM 43 C LYS A 3 -33.099 -34.874 18.809 1.00 54.33 C ATOM 44 O LYS A 3 -33.746 -35.693 18.155 1.00 45.21 O ATOM 45 CB LYS A 3 -31.959 -35.665 20.889 1.00 4.25 C ATOM 46 CG LYS A 3 -31.716 -35.434 22.371 1.00 45.32 C ATOM 47 CD LYS A 3 -31.057 -34.088 22.625 1.00 53.13 C ATOM 48 CE LYS A 3 -30.494 -34.000 24.035 1.00 51.02 C ATOM 49 NZ LYS A 3 -29.987 -32.635 24.345 1.00 10.34 N ATOM 50 HZ1 LYS A 3 -29.231 -32.387 23.675 1.00 0.00 H ATOM 51 HZ2 LYS A 3 -30.765 -31.950 24.261 1.00 0.00 H ATOM 52 HZ3 LYS A 3 -29.612 -32.618 25.315 1.00 0.00 H ATOM 53 H LYS A 3 -34.492 -36.482 20.884 1.00 0.00 H ATOM 54 N LYS A 4 -32.329 -33.948 18.248 1.00 50.23 N ATOM 55 CA LYS A 4 -32.194 -33.839 16.800 1.00 41.30 C ATOM 56 C LYS A 4 -30.725 -33.809 16.391 1.00 3.13 C ATOM 57 O LYS A 4 -29.874 -33.309 17.128 1.00 30.03 O ATOM 58 CB LYS A 4 -32.901 -32.579 16.295 1.00 45.23 C ATOM 59 CG LYS A 4 -34.412 -32.712 16.233 1.00 33.44 C ATOM 60 CD LYS A 4 -34.853 -33.502 15.013 1.00 72.44 C ATOM 61 CE LYS A 4 -36.328 -33.868 15.088 1.00 24.32 C ATOM 62 NZ LYS A 4 -36.694 -34.906 14.085 1.00 63.01 N ATOM 63 HZ1 LYS A 4 -36.495 -34.548 13.129 1.00 0.00 H ATOM 64 HZ2 LYS A 4 -36.135 -35.766 14.258 1.00 0.00 H ATOM 65 HZ3 LYS A 4 -37.707 -35.126 14.170 1.00 0.00 H ATOM 66 H LYS A 4 -31.809 -33.284 18.857 1.00 0.00 H ATOM 67 N THR A 5 -30.432 -34.346 15.211 1.00 72.11 N ATOM 68 CA THR A 5 -29.066 -34.381 14.704 1.00 12.32 C ATOM 69 C THR A 5 -29.039 -34.236 13.187 1.00 42.11 C ATOM 70 O THR A 5 -29.771 -34.922 12.474 1.00 71.22 O ATOM 71 CB THR A 5 -28.354 -35.689 15.097 1.00 73.04 C ATOM 72 OG1 THR A 5 -28.658 -36.023 16.455 1.00 21.45 O ATOM 73 CG2 THR A 5 -26.848 -35.558 14.926 1.00 74.15 C ATOM 74 HG1 THR A 5 -28.351 -35.293 17.050 1.00 0.00 H ATOM 75 H THR A 5 -31.197 -34.752 14.635 1.00 0.00 H ATOM 76 N LYS A 6 -28.189 -33.339 12.698 1.00 21.01 N ATOM 77 CA LYS A 6 -28.064 -33.105 11.264 1.00 3.24 C ATOM 78 C LYS A 6 -26.650 -32.655 10.908 1.00 74.30 C ATOM 79 O LYS A 6 -26.242 -31.541 11.236 1.00 31.20 O ATOM 80 CB LYS A 6 -29.076 -32.051 10.809 1.00 64.13 C ATOM 81 CG LYS A 6 -29.476 -32.183 9.349 1.00 23.24 C ATOM 82 CD LYS A 6 -30.474 -33.310 9.145 1.00 73.03 C ATOM 83 CE LYS A 6 -31.182 -33.191 7.804 1.00 41.04 C ATOM 84 NZ LYS A 6 -32.271 -34.196 7.660 1.00 31.31 N ATOM 85 HZ1 LYS A 6 -31.870 -35.153 7.733 1.00 0.00 H ATOM 86 HZ2 LYS A 6 -32.974 -34.054 8.414 1.00 0.00 H ATOM 87 HZ3 LYS A 6 -32.727 -34.080 6.733 1.00 0.00 H ATOM 88 H LYS A 6 -27.598 -32.790 13.355 1.00 0.00 H ATOM 89 N ARG A 7 -25.909 -33.528 10.234 1.00 60.32 N ATOM 90 CA ARG A 7 -24.542 -33.220 9.833 1.00 65.42 C ATOM 91 C ARG A 7 -24.309 -33.584 8.369 1.00 32.33 C ATOM 92 O ARG A 7 -24.928 -34.510 7.842 1.00 44.41 O ATOM 93 CB ARG A 7 -23.546 -33.970 10.720 1.00 31.31 C ATOM 94 CG ARG A 7 -23.555 -33.510 12.169 1.00 61.33 C ATOM 95 CD ARG A 7 -22.766 -32.223 12.349 1.00 24.24 C ATOM 96 NE ARG A 7 -23.540 -31.047 11.962 1.00 71.21 N ATOM 97 CZ ARG A 7 -23.015 -29.835 11.820 1.00 62.55 C ATOM 98 NH1 ARG A 7 -21.720 -29.641 12.031 1.00 34.42 N ATOM 99 NH2 ARG A 7 -23.785 -28.815 11.464 1.00 3.22 N ATOM 100 HE ARG A 7 -24.559 -31.165 11.788 1.00 0.00 H ATOM 101 HH12 ARG A 7 -21.311 -28.691 11.919 1.00 0.00 H ATOM 102 HH11 ARG A 7 -21.113 -30.439 12.308 1.00 0.00 H ATOM 103 HH22 ARG A 7 -23.373 -27.866 11.353 1.00 0.00 H ATOM 104 HH21 ARG A 7 -24.800 -28.964 11.296 1.00 0.00 H ATOM 105 H ARG A 7 -26.314 -34.453 9.987 1.00 0.00 H ATOM 106 N THR A 8 -23.414 -32.849 7.717 1.00 65.50 N ATOM 107 CA THR A 8 -23.101 -33.093 6.315 1.00 65.04 C ATOM 108 C THR A 8 -21.594 -33.153 6.090 1.00 60.31 C ATOM 109 O THR A 8 -20.845 -32.330 6.615 1.00 12.02 O ATOM 110 CB THR A 8 -23.700 -32.002 5.407 1.00 31.05 C ATOM 111 OG1 THR A 8 -23.377 -32.271 4.039 1.00 41.24 O ATOM 112 CG2 THR A 8 -23.178 -30.627 5.797 1.00 62.33 C ATOM 113 HG1 THR A 8 -23.766 -31.565 3.464 1.00 0.00 H ATOM 114 H THR A 8 -22.925 -32.081 8.220 1.00 0.00 H ATOM 115 N ALA A 9 -21.156 -34.133 5.306 1.00 51.33 N ATOM 116 CA ALA A 9 -19.738 -34.298 5.009 1.00 35.24 C ATOM 117 C ALA A 9 -19.536 -35.010 3.676 1.00 23.33 C ATOM 118 O ALA A 9 -20.327 -35.874 3.296 1.00 4.14 O ATOM 119 CB ALA A 9 -19.051 -35.065 6.130 1.00 73.15 C ATOM 120 H ALA A 9 -21.841 -34.798 4.894 1.00 0.00 H ATOM 121 N ASP A 10 -18.472 -34.642 2.970 1.00 35.32 N ATOM 122 CA ASP A 10 -18.166 -35.246 1.679 1.00 63.52 C ATOM 123 C ASP A 10 -17.248 -36.453 1.848 1.00 64.02 C ATOM 124 O ASP A 10 -16.312 -36.391 2.643 1.00 5.43 O ATOM 125 CB ASP A 10 -17.513 -34.219 0.753 1.00 3.22 C ATOM 126 CG ASP A 10 -16.229 -33.654 1.329 1.00 12.23 C ATOM 127 OD1 ASP A 10 -15.156 -34.241 1.076 1.00 10.42 O ATOM 128 OD2 ASP A 10 -16.298 -32.624 2.032 1.00 22.34 O ATOM 129 H ASP A 10 -17.842 -33.905 3.348 1.00 0.00 H HETATM 130 N SEP A 11 -17.532 -37.513 1.106 1.00 53.04 N HETATM 131 CA SEP A 11 -16.705 -38.753 1.186 1.00 3.03 C HETATM 132 C SEP A 11 -15.756 -38.803 0.016 1.00 34.14 C HETATM 133 O SEP A 11 -16.071 -39.369 -1.029 1.00 60.42 O HETATM 134 CB SEP A 11 -17.622 -40.001 1.348 1.00 62.12 C HETATM 135 OG SEP A 11 -18.543 -40.115 0.238 1.00 72.52 O HETATM 136 P SEP A 11 -19.391 -41.464 -0.048 1.00 22.42 P HETATM 137 O3P SEP A 11 -20.710 -41.432 0.713 1.00 35.21 O HETATM 138 O2P SEP A 11 -18.538 -42.649 0.419 1.00 33.03 O HETATM 139 O1P SEP A 11 -19.624 -41.594 -1.549 1.00 12.20 O HETATM 140 H SEP A 11 -18.344 -37.481 0.457 1.00 0.00 H HETATM 141 N SEP A 12 -14.596 -38.198 0.223 1.00 62.34 N HETATM 142 CA SEP A 12 -13.549 -38.161 -0.841 1.00 4.21 C HETATM 143 C SEP A 12 -12.234 -38.627 -0.271 1.00 33.42 C HETATM 144 O SEP A 12 -11.418 -37.824 0.178 1.00 52.11 O HETATM 145 CB SEP A 12 -13.516 -36.757 -1.513 1.00 52.54 C HETATM 146 OG SEP A 12 -14.611 -36.602 -2.447 1.00 34.44 O HETATM 147 P SEP A 12 -14.890 -35.215 -3.232 1.00 61.15 P HETATM 148 O3P SEP A 12 -15.079 -34.073 -2.241 1.00 73.45 O HETATM 149 O2P SEP A 12 -16.160 -35.408 -4.068 1.00 30.42 O HETATM 150 O1P SEP A 12 -13.724 -34.938 -4.175 1.00 51.32 O HETATM 151 H SEP A 12 -14.412 -37.742 1.140 1.00 0.00 H HETATM 152 N SEP A 13 -12.056 -39.940 -0.302 1.00 10.13 N HETATM 153 CA SEP A 13 -10.804 -40.559 0.226 1.00 11.43 C HETATM 154 C SEP A 13 -9.771 -40.620 -0.869 1.00 75.23 C HETATM 155 O SEP A 13 -9.647 -41.627 -1.565 1.00 43.44 O HETATM 156 CB SEP A 13 -11.125 -41.921 0.910 1.00 41.44 C HETATM 157 OG SEP A 13 -11.986 -42.730 0.075 1.00 71.23 O HETATM 158 P SEP A 13 -12.463 -44.215 0.507 1.00 71.31 P HETATM 159 O3P SEP A 13 -12.649 -44.294 2.017 1.00 2.21 O HETATM 160 O2P SEP A 13 -11.376 -45.196 0.055 1.00 44.33 O HETATM 161 O1P SEP A 13 -13.758 -44.552 -0.225 1.00 4.11 O HETATM 162 H SEP A 13 -12.800 -40.548 -0.700 1.00 0.00 H HETATM 163 N SEP A 14 -9.041 -39.522 -1.000 1.00 34.32 N HETATM 164 CA SEP A 14 -7.976 -39.427 -2.041 1.00 4.22 C HETATM 165 C SEP A 14 -7.053 -38.281 -1.714 1.00 22.42 C HETATM 166 O SEP A 14 -7.456 -37.230 -1.218 1.00 52.12 O HETATM 167 CB SEP A 14 -8.614 -39.377 -3.460 1.00 52.52 C HETATM 168 OG SEP A 14 -7.625 -39.045 -4.463 1.00 60.22 O HETATM 169 P SEP A 14 -8.032 -38.538 -5.945 1.00 42.23 P HETATM 170 O3P SEP A 14 -7.857 -39.663 -6.957 1.00 63.24 O HETATM 171 O2P SEP A 14 -7.113 -37.362 -6.296 1.00 34.15 O HETATM 172 O1P SEP A 14 -9.473 -38.040 -5.920 1.00 3.11 O HETATM 173 H SEP A 14 -9.213 -38.714 -0.368 1.00 0.00 H ATOM 174 N GLU A 15 -5.774 -38.502 -2.004 1.00 74.12 N ATOM 175 CA GLU A 15 -4.749 -37.497 -1.750 1.00 14.43 C ATOM 176 C GLU A 15 -3.985 -37.164 -3.028 1.00 2.34 C ATOM 177 O GLU A 15 -3.608 -38.055 -3.789 1.00 31.35 O ATOM 178 CB GLU A 15 -3.778 -37.987 -0.674 1.00 61.43 C ATOM 179 CG GLU A 15 -4.405 -38.106 0.705 1.00 54.25 C ATOM 180 CD GLU A 15 -3.374 -38.280 1.802 1.00 3.20 C ATOM 181 OE1 GLU A 15 -3.036 -37.275 2.463 1.00 35.10 O ATOM 182 OE2 GLU A 15 -2.903 -39.419 2.000 1.00 74.41 O ATOM 183 H GLU A 15 -5.499 -39.414 -2.422 1.00 0.00 H ATOM 184 N ASP A 16 -3.760 -35.875 -3.256 1.00 41.44 N ATOM 185 CA ASP A 16 -3.040 -35.423 -4.441 1.00 40.44 C ATOM 186 C ASP A 16 -2.597 -33.971 -4.287 1.00 53.14 C ATOM 187 O ASP A 16 -3.268 -33.174 -3.631 1.00 64.44 O ATOM 188 CB ASP A 16 -3.917 -35.572 -5.685 1.00 74.12 C ATOM 189 CG ASP A 16 -3.106 -35.603 -6.966 1.00 32.34 C ATOM 190 OD1 ASP A 16 -2.205 -36.461 -7.077 1.00 34.31 O ATOM 191 OD2 ASP A 16 -3.373 -34.770 -7.857 1.00 24.23 O ATOM 192 H ASP A 16 -4.106 -35.171 -2.573 1.00 0.00 H ATOM 193 N GLU A 17 -1.464 -33.635 -4.896 1.00 21.31 N ATOM 194 CA GLU A 17 -0.932 -32.280 -4.824 1.00 45.30 C ATOM 195 C GLU A 17 -1.790 -31.314 -5.637 1.00 22.35 C ATOM 196 O GLU A 17 -1.829 -31.386 -6.864 1.00 72.42 O ATOM 197 CB GLU A 17 0.512 -32.247 -5.331 1.00 74.24 C ATOM 198 CG GLU A 17 1.540 -32.582 -4.264 1.00 12.31 C ATOM 199 CD GLU A 17 2.957 -32.266 -4.700 1.00 4.42 C ATOM 200 OE1 GLU A 17 3.538 -33.071 -5.457 1.00 61.40 O ATOM 201 OE2 GLU A 17 3.486 -31.214 -4.284 1.00 51.40 O ATOM 202 H GLU A 17 -0.945 -34.356 -5.437 1.00 0.00 H ATOM 203 N GLU A 18 -2.476 -30.412 -4.941 1.00 65.41 N ATOM 204 CA GLU A 18 -3.334 -29.434 -5.598 1.00 51.20 C ATOM 205 C GLU A 18 -3.312 -28.103 -4.852 1.00 43.31 C ATOM 206 O GLU A 18 -3.042 -27.056 -5.439 1.00 44.33 O ATOM 207 CB GLU A 18 -4.769 -29.958 -5.685 1.00 20.21 C ATOM 208 CG GLU A 18 -5.038 -30.793 -6.926 1.00 1.13 C ATOM 209 CD GLU A 18 -6.299 -31.626 -6.806 1.00 54.24 C ATOM 210 OE1 GLU A 18 -7.343 -31.201 -7.345 1.00 70.13 O ATOM 211 OE2 GLU A 18 -6.243 -32.701 -6.175 1.00 34.35 O ATOM 212 H GLU A 18 -2.398 -30.404 -3.904 1.00 0.00 H ATOM 213 N GLU A 19 -3.598 -28.153 -3.555 1.00 31.01 N ATOM 214 CA GLU A 19 -3.612 -26.951 -2.729 1.00 72.23 C ATOM 215 C GLU A 19 -2.196 -26.552 -2.325 1.00 42.15 C ATOM 216 O GLU A 19 -1.302 -27.394 -2.241 1.00 20.41 O ATOM 217 CB GLU A 19 -4.467 -27.174 -1.480 1.00 1.11 C ATOM 218 CG GLU A 19 -5.161 -25.916 -0.985 1.00 4.12 C ATOM 219 CD GLU A 19 -6.193 -26.203 0.088 1.00 2.33 C ATOM 220 OE1 GLU A 19 -7.329 -25.700 -0.033 1.00 55.42 O ATOM 221 OE2 GLU A 19 -5.865 -26.930 1.049 1.00 5.51 O ATOM 222 H GLU A 19 -3.817 -29.071 -3.119 1.00 0.00 H ATOM 223 N TYR A 20 -1.999 -25.262 -2.078 1.00 13.21 N ATOM 224 CA TYR A 20 -0.692 -24.749 -1.686 1.00 23.31 C ATOM 225 C TYR A 20 -0.772 -24.015 -0.351 1.00 52.11 C ATOM 226 O TYR A 20 -1.740 -23.305 -0.077 1.00 31.54 O ATOM 227 CB TYR A 20 -0.144 -23.813 -2.764 1.00 2.52 C ATOM 228 CG TYR A 20 0.415 -24.536 -3.968 1.00 73.32 C ATOM 229 CD1 TYR A 20 -0.408 -25.301 -4.787 1.00 1.52 C ATOM 230 CD2 TYR A 20 1.765 -24.457 -4.287 1.00 55.21 C ATOM 231 CE1 TYR A 20 0.098 -25.964 -5.888 1.00 32.21 C ATOM 232 CE2 TYR A 20 2.279 -25.116 -5.387 1.00 13.20 C ATOM 233 CZ TYR A 20 1.441 -25.868 -6.184 1.00 65.31 C ATOM 234 OH TYR A 20 1.950 -26.527 -7.280 1.00 21.43 O ATOM 235 HH TYR A 20 1.221 -27.015 -7.738 1.00 0.00 H ATOM 236 H TYR A 20 -2.797 -24.601 -2.166 1.00 0.00 H ATOM 237 N VAL A 21 0.253 -24.190 0.476 1.00 25.42 N ATOM 238 CA VAL A 21 0.302 -23.544 1.782 1.00 14.01 C ATOM 239 C VAL A 21 1.291 -22.384 1.785 1.00 54.20 C ATOM 240 O VAL A 21 2.355 -22.459 1.170 1.00 33.35 O ATOM 241 CB VAL A 21 0.694 -24.542 2.888 1.00 2.51 C ATOM 242 CG1 VAL A 21 0.663 -23.867 4.251 1.00 34.42 C ATOM 243 CG2 VAL A 21 -0.224 -25.754 2.862 1.00 15.21 C ATOM 244 H VAL A 21 1.040 -24.803 0.184 1.00 0.00 H ATOM 245 N VAL A 22 0.932 -21.310 2.482 1.00 45.35 N ATOM 246 CA VAL A 22 1.789 -20.133 2.566 1.00 1.13 C ATOM 247 C VAL A 22 2.784 -20.259 3.715 1.00 50.04 C ATOM 248 O VAL A 22 2.506 -20.912 4.720 1.00 64.23 O ATOM 249 CB VAL A 22 0.961 -18.848 2.758 1.00 71.53 C ATOM 250 CG1 VAL A 22 1.859 -17.622 2.711 1.00 41.21 C ATOM 251 CG2 VAL A 22 -0.133 -18.759 1.705 1.00 53.32 C ATOM 252 H VAL A 22 0.018 -21.309 2.979 1.00 0.00 H ATOM 253 N GLU A 23 3.944 -19.628 3.558 1.00 73.45 N ATOM 254 CA GLU A 23 4.980 -19.671 4.582 1.00 4.21 C ATOM 255 C GLU A 23 4.982 -18.387 5.408 1.00 62.43 C ATOM 256 O GLU A 23 4.872 -18.423 6.633 1.00 34.54 O ATOM 257 CB GLU A 23 6.354 -19.880 3.941 1.00 11.22 C ATOM 258 CG GLU A 23 6.683 -21.338 3.669 1.00 22.03 C ATOM 259 CD GLU A 23 8.175 -21.589 3.562 1.00 73.11 C ATOM 260 OE1 GLU A 23 8.822 -20.957 2.700 1.00 35.23 O ATOM 261 OE2 GLU A 23 8.695 -22.417 4.338 1.00 1.14 O ATOM 262 H GLU A 23 4.116 -19.091 2.684 1.00 0.00 H ATOM 263 N LYS A 24 5.109 -17.253 4.727 1.00 62.40 N ATOM 264 CA LYS A 24 5.125 -15.957 5.395 1.00 61.33 C ATOM 265 C LYS A 24 5.211 -14.823 4.379 1.00 41.22 C ATOM 266 O LYS A 24 5.544 -15.043 3.214 1.00 1.12 O ATOM 267 CB LYS A 24 6.304 -15.876 6.367 1.00 1.10 C ATOM 268 CG LYS A 24 7.648 -16.158 5.718 1.00 2.41 C ATOM 269 CD LYS A 24 8.204 -14.923 5.027 1.00 35.34 C ATOM 270 CE LYS A 24 9.698 -15.051 4.775 1.00 50.11 C ATOM 271 NZ LYS A 24 9.996 -16.023 3.687 1.00 73.02 N ATOM 272 HZ1 LYS A 24 9.628 -16.959 3.950 1.00 0.00 H ATOM 273 HZ2 LYS A 24 9.542 -15.706 2.807 1.00 0.00 H ATOM 274 HZ3 LYS A 24 11.025 -16.080 3.547 1.00 0.00 H ATOM 275 H LYS A 24 5.199 -17.291 3.692 1.00 0.00 H ATOM 276 N VAL A 25 4.910 -13.608 4.828 1.00 60.34 N ATOM 277 CA VAL A 25 4.956 -12.439 3.958 1.00 10.21 C ATOM 278 C VAL A 25 6.394 -12.059 3.623 1.00 20.14 C ATOM 279 O VAL A 25 7.300 -12.231 4.440 1.00 34.34 O ATOM 280 CB VAL A 25 4.255 -11.230 4.606 1.00 71.01 C ATOM 281 CG1 VAL A 25 4.952 -10.838 5.900 1.00 62.23 C ATOM 282 CG2 VAL A 25 4.212 -10.058 3.637 1.00 0.45 C ATOM 283 H VAL A 25 4.635 -13.489 5.824 1.00 0.00 H ATOM 284 N LEU A 26 6.598 -11.541 2.417 1.00 14.13 N ATOM 285 CA LEU A 26 7.927 -11.135 1.973 1.00 33.33 C ATOM 286 C LEU A 26 7.977 -9.634 1.706 1.00 71.42 C ATOM 287 O LEU A 26 8.856 -8.933 2.208 1.00 34.30 O ATOM 288 CB LEU A 26 8.321 -11.903 0.710 1.00 34.44 C ATOM 289 CG LEU A 26 8.916 -13.295 0.929 1.00 3.53 C ATOM 290 CD1 LEU A 26 7.822 -14.299 1.256 1.00 53.50 C ATOM 291 CD2 LEU A 26 9.701 -13.738 -0.297 1.00 54.11 C ATOM 292 H LEU A 26 5.790 -11.422 1.773 1.00 0.00 H ATOM 293 N ASP A 27 7.028 -9.148 0.914 1.00 51.12 N ATOM 294 CA ASP A 27 6.962 -7.729 0.582 1.00 34.41 C ATOM 295 C ASP A 27 5.515 -7.279 0.408 1.00 75.12 C ATOM 296 O ASP A 27 4.600 -8.101 0.362 1.00 74.55 O ATOM 297 CB ASP A 27 7.755 -7.445 -0.694 1.00 53.43 C ATOM 298 CG ASP A 27 8.178 -5.993 -0.801 1.00 51.21 C ATOM 299 OD1 ASP A 27 8.788 -5.480 0.161 1.00 54.32 O ATOM 300 OD2 ASP A 27 7.900 -5.370 -1.847 1.00 3.30 O ATOM 301 H ASP A 27 6.315 -9.795 0.521 1.00 0.00 H ATOM 302 N ARG A 28 5.315 -5.969 0.313 1.00 43.42 N ATOM 303 CA ARG A 28 3.979 -5.409 0.146 1.00 4.11 C ATOM 304 C ARG A 28 3.976 -4.317 -0.920 1.00 65.30 C ATOM 305 O ARG A 28 4.906 -3.514 -1.002 1.00 54.24 O ATOM 306 CB ARG A 28 3.472 -4.842 1.473 1.00 35.11 C ATOM 307 CG ARG A 28 2.017 -4.403 1.431 1.00 42.52 C ATOM 308 CD ARG A 28 1.670 -3.510 2.612 1.00 22.55 C ATOM 309 NE ARG A 28 0.495 -2.684 2.348 1.00 22.53 N ATOM 310 CZ ARG A 28 -0.148 -1.999 3.287 1.00 21.53 C ATOM 311 NH1 ARG A 28 0.269 -2.041 4.545 1.00 34.34 N ATOM 312 NH2 ARG A 28 -1.210 -1.270 2.969 1.00 64.24 N ATOM 313 HE ARG A 28 0.142 -2.629 1.371 1.00 0.00 H ATOM 314 HH12 ARG A 28 -0.236 -1.504 5.278 1.00 0.00 H ATOM 315 HH11 ARG A 28 1.101 -2.611 4.798 1.00 0.00 H ATOM 316 HH22 ARG A 28 -1.712 -0.734 3.705 1.00 0.00 H ATOM 317 HH21 ARG A 28 -1.540 -1.234 1.983 1.00 0.00 H ATOM 318 H ARG A 28 6.132 -5.327 0.359 1.00 0.00 H ATOM 319 N ARG A 29 2.926 -4.295 -1.734 1.00 63.32 N ATOM 320 CA ARG A 29 2.803 -3.304 -2.796 1.00 43.10 C ATOM 321 C ARG A 29 1.344 -3.120 -3.202 1.00 11.35 C ATOM 322 O ARG A 29 0.563 -4.070 -3.193 1.00 75.41 O ATOM 323 CB ARG A 29 3.633 -3.722 -4.012 1.00 13.14 C ATOM 324 CG ARG A 29 4.130 -2.550 -4.842 1.00 54.21 C ATOM 325 CD ARG A 29 3.220 -2.285 -6.032 1.00 4.12 C ATOM 326 NE ARG A 29 3.303 -3.347 -7.031 1.00 12.01 N ATOM 327 CZ ARG A 29 4.285 -3.445 -7.919 1.00 63.45 C ATOM 328 NH1 ARG A 29 5.264 -2.551 -7.933 1.00 13.23 N ATOM 329 NH2 ARG A 29 4.291 -4.441 -8.797 1.00 14.21 N ATOM 330 HE ARG A 29 2.552 -4.066 -7.048 1.00 0.00 H ATOM 331 HH12 ARG A 29 6.032 -2.631 -8.630 1.00 0.00 H ATOM 332 HH11 ARG A 29 5.264 -1.770 -7.247 1.00 0.00 H ATOM 333 HH22 ARG A 29 5.061 -4.517 -9.492 1.00 0.00 H ATOM 334 HH21 ARG A 29 3.526 -5.145 -8.790 1.00 0.00 H ATOM 335 H ARG A 29 2.173 -5.002 -1.610 1.00 0.00 H ATOM 336 N MET A 30 0.984 -1.890 -3.555 1.00 61.35 N ATOM 337 CA MET A 30 -0.381 -1.582 -3.965 1.00 32.03 C ATOM 338 C MET A 30 -0.432 -1.191 -5.438 1.00 42.51 C ATOM 339 O MET A 30 0.404 -0.423 -5.916 1.00 21.50 O ATOM 340 CB MET A 30 -0.951 -0.452 -3.105 1.00 33.21 C ATOM 341 CG MET A 30 -2.470 -0.390 -3.113 1.00 11.15 C ATOM 342 SD MET A 30 -3.114 0.986 -2.141 1.00 44.12 S ATOM 343 CE MET A 30 -4.423 0.173 -1.229 1.00 14.20 C ATOM 344 H MET A 30 1.693 -1.129 -3.538 1.00 0.00 H ATOM 345 N VAL A 31 -1.418 -1.723 -6.154 1.00 4.42 N ATOM 346 CA VAL A 31 -1.577 -1.428 -7.573 1.00 34.02 C ATOM 347 C VAL A 31 -3.050 -1.407 -7.967 1.00 62.44 C ATOM 348 O VAL A 31 -3.829 -2.263 -7.547 1.00 11.11 O ATOM 349 CB VAL A 31 -0.837 -2.458 -8.447 1.00 34.13 C ATOM 350 CG1 VAL A 31 0.666 -2.350 -8.242 1.00 70.51 C ATOM 351 CG2 VAL A 31 -1.326 -3.866 -8.140 1.00 11.43 C ATOM 352 H VAL A 31 -2.092 -2.365 -5.691 1.00 0.00 H ATOM 353 N LYS A 32 -3.425 -0.424 -8.779 1.00 34.43 N ATOM 354 CA LYS A 32 -4.805 -0.292 -9.233 1.00 45.41 C ATOM 355 C LYS A 32 -5.762 -0.209 -8.049 1.00 31.23 C ATOM 356 O LYS A 32 -6.798 -0.872 -8.028 1.00 72.34 O ATOM 357 CB LYS A 32 -5.184 -1.473 -10.128 1.00 72.34 C ATOM 358 CG LYS A 32 -4.432 -1.503 -11.448 1.00 33.03 C ATOM 359 CD LYS A 32 -4.634 -2.822 -12.175 1.00 24.13 C ATOM 360 CE LYS A 32 -3.741 -2.924 -13.402 1.00 21.11 C ATOM 361 NZ LYS A 32 -2.325 -3.202 -13.036 1.00 25.41 N ATOM 362 HZ1 LYS A 32 -1.966 -2.433 -12.434 1.00 0.00 H ATOM 363 HZ2 LYS A 32 -2.272 -4.102 -12.518 1.00 0.00 H ATOM 364 HZ3 LYS A 32 -1.750 -3.264 -13.901 1.00 0.00 H ATOM 365 H LYS A 32 -2.717 0.268 -9.099 1.00 0.00 H ATOM 366 N GLY A 33 -5.409 0.611 -7.063 1.00 64.43 N ATOM 367 CA GLY A 33 -6.248 0.765 -5.890 1.00 13.32 C ATOM 368 C GLY A 33 -6.455 -0.541 -5.148 1.00 42.44 C ATOM 369 O GLY A 33 -7.470 -0.727 -4.479 1.00 14.12 O ATOM 370 H GLY A 33 -4.521 1.148 -7.134 1.00 0.00 H ATOM 371 N GLN A 34 -5.490 -1.447 -5.269 1.00 53.15 N ATOM 372 CA GLN A 34 -5.573 -2.743 -4.607 1.00 31.12 C ATOM 373 C GLN A 34 -4.241 -3.111 -3.962 1.00 63.24 C ATOM 374 O GLN A 34 -3.200 -3.114 -4.621 1.00 15.42 O ATOM 375 CB GLN A 34 -5.986 -3.825 -5.606 1.00 60.12 C ATOM 376 CG GLN A 34 -6.764 -4.969 -4.977 1.00 72.40 C ATOM 377 CD GLN A 34 -7.264 -5.968 -6.002 1.00 72.11 C ATOM 378 OE1 GLN A 34 -6.677 -7.035 -6.184 1.00 41.02 O ATOM 379 NE2 GLN A 34 -8.355 -5.627 -6.678 1.00 61.04 N ATOM 380 HE22 GLN A 34 -8.819 -4.715 -6.491 1.00 0.00 H ATOM 381 HE21 GLN A 34 -8.746 -6.272 -7.394 1.00 0.00 H ATOM 382 H GLN A 34 -4.656 -1.226 -5.850 1.00 0.00 H ATOM 383 N VAL A 35 -4.280 -3.422 -2.670 1.00 45.34 N ATOM 384 CA VAL A 35 -3.075 -3.792 -1.937 1.00 33.23 C ATOM 385 C VAL A 35 -2.794 -5.286 -2.060 1.00 13.51 C ATOM 386 O VAL A 35 -3.684 -6.112 -1.863 1.00 71.32 O ATOM 387 CB VAL A 35 -3.191 -3.424 -0.446 1.00 20.14 C ATOM 388 CG1 VAL A 35 -4.320 -4.204 0.211 1.00 25.32 C ATOM 389 CG2 VAL A 35 -1.872 -3.676 0.269 1.00 43.42 C ATOM 390 H VAL A 35 -5.192 -3.401 -2.170 1.00 0.00 H ATOM 391 N GLU A 36 -1.551 -5.623 -2.386 1.00 63.35 N ATOM 392 CA GLU A 36 -1.153 -7.018 -2.536 1.00 61.11 C ATOM 393 C GLU A 36 0.068 -7.331 -1.676 1.00 32.13 C ATOM 394 O GLU A 36 0.870 -6.448 -1.372 1.00 40.33 O ATOM 395 CB GLU A 36 -0.850 -7.331 -4.003 1.00 53.31 C ATOM 396 CG GLU A 36 -2.079 -7.718 -4.809 1.00 22.42 C ATOM 397 CD GLU A 36 -3.091 -6.594 -4.907 1.00 0.52 C ATOM 398 OE1 GLU A 36 -4.209 -6.755 -4.375 1.00 13.34 O ATOM 399 OE2 GLU A 36 -2.765 -5.553 -5.515 1.00 54.04 O ATOM 400 H GLU A 36 -0.845 -4.874 -2.538 1.00 0.00 H ATOM 401 N TYR A 37 0.201 -8.594 -1.285 1.00 50.25 N ATOM 402 CA TYR A 37 1.321 -9.024 -0.458 1.00 5.25 C ATOM 403 C TYR A 37 2.022 -10.231 -1.073 1.00 72.41 C ATOM 404 O TYR A 37 1.373 -11.166 -1.546 1.00 45.11 O ATOM 405 CB TYR A 37 0.839 -9.365 0.953 1.00 10.55 C ATOM 406 CG TYR A 37 0.371 -8.161 1.741 1.00 65.24 C ATOM 407 CD1 TYR A 37 -0.785 -7.479 1.382 1.00 5.50 C ATOM 408 CD2 TYR A 37 1.086 -7.706 2.842 1.00 72.21 C ATOM 409 CE1 TYR A 37 -1.215 -6.378 2.098 1.00 73.23 C ATOM 410 CE2 TYR A 37 0.662 -6.608 3.564 1.00 12.22 C ATOM 411 CZ TYR A 37 -0.489 -5.947 3.188 1.00 31.02 C ATOM 412 OH TYR A 37 -0.914 -4.851 3.904 1.00 20.53 O ATOM 413 HH TYR A 37 -1.748 -4.500 3.503 1.00 0.00 H ATOM 414 H TYR A 37 -0.512 -9.293 -1.576 1.00 0.00 H ATOM 415 N LEU A 38 3.350 -10.205 -1.063 1.00 31.32 N ATOM 416 CA LEU A 38 4.141 -11.298 -1.619 1.00 51.40 C ATOM 417 C LEU A 38 4.165 -12.491 -0.669 1.00 44.12 C ATOM 418 O LEU A 38 4.841 -12.465 0.360 1.00 2.13 O ATOM 419 CB LEU A 38 5.569 -10.827 -1.902 1.00 13.03 C ATOM 420 CG LEU A 38 6.304 -11.553 -3.029 1.00 21.35 C ATOM 421 CD1 LEU A 38 6.318 -13.053 -2.777 1.00 73.22 C ATOM 422 CD2 LEU A 38 5.662 -11.242 -4.372 1.00 52.34 C ATOM 423 H LEU A 38 3.838 -9.385 -0.649 1.00 0.00 H ATOM 424 N LEU A 39 3.426 -13.536 -1.022 1.00 70.53 N ATOM 425 CA LEU A 39 3.364 -14.742 -0.202 1.00 42.45 C ATOM 426 C LEU A 39 4.141 -15.882 -0.852 1.00 24.23 C ATOM 427 O LEU A 39 4.191 -15.996 -2.077 1.00 31.44 O ATOM 428 CB LEU A 39 1.909 -15.160 0.015 1.00 0.13 C ATOM 429 CG LEU A 39 1.004 -14.120 0.677 1.00 74.33 C ATOM 430 CD1 LEU A 39 -0.459 -14.498 0.502 1.00 31.24 C ATOM 431 CD2 LEU A 39 1.347 -13.976 2.152 1.00 12.51 C ATOM 432 H LEU A 39 2.878 -13.494 -1.905 1.00 0.00 H ATOM 433 N LYS A 40 4.746 -16.726 -0.023 1.00 20.44 N ATOM 434 CA LYS A 40 5.518 -17.861 -0.514 1.00 64.13 C ATOM 435 C LYS A 40 4.755 -19.166 -0.315 1.00 33.42 C ATOM 436 O LYS A 40 4.466 -19.561 0.815 1.00 1.20 O ATOM 437 CB LYS A 40 6.869 -17.934 0.202 1.00 41.45 C ATOM 438 CG LYS A 40 8.046 -18.126 -0.739 1.00 22.32 C ATOM 439 CD LYS A 40 8.628 -16.795 -1.184 1.00 73.14 C ATOM 440 CE LYS A 40 7.685 -16.062 -2.126 1.00 73.34 C ATOM 441 NZ LYS A 40 7.451 -16.827 -3.383 1.00 33.14 N ATOM 442 HZ1 LYS A 40 8.357 -16.970 -3.874 1.00 0.00 H ATOM 443 HZ2 LYS A 40 7.030 -17.750 -3.153 1.00 0.00 H ATOM 444 HZ3 LYS A 40 6.803 -16.293 -3.997 1.00 0.00 H ATOM 445 H LYS A 40 4.667 -16.573 1.003 1.00 0.00 H ATOM 446 N TRP A 41 4.432 -19.832 -1.418 1.00 2.03 N ATOM 447 CA TRP A 41 3.703 -21.094 -1.363 1.00 22.11 C ATOM 448 C TRP A 41 4.661 -22.270 -1.206 1.00 43.22 C ATOM 449 O TRP A 41 5.840 -22.173 -1.549 1.00 31.41 O ATOM 450 CB TRP A 41 2.858 -21.274 -2.625 1.00 51.30 C ATOM 451 CG TRP A 41 1.836 -20.194 -2.814 1.00 50.11 C ATOM 452 CD1 TRP A 41 1.921 -19.124 -3.658 1.00 41.42 C ATOM 453 CD2 TRP A 41 0.576 -20.079 -2.143 1.00 64.02 C ATOM 454 NE1 TRP A 41 0.790 -18.350 -3.552 1.00 62.33 N ATOM 455 CE2 TRP A 41 -0.051 -18.915 -2.630 1.00 65.43 C ATOM 456 CE3 TRP A 41 -0.084 -20.847 -1.180 1.00 42.22 C ATOM 457 CZ2 TRP A 41 -1.304 -18.503 -2.185 1.00 24.32 C ATOM 458 CZ3 TRP A 41 -1.327 -20.436 -0.739 1.00 33.32 C ATOM 459 CH2 TRP A 41 -1.927 -19.274 -1.241 1.00 51.14 C ATOM 460 HE1 TRP A 41 0.603 -17.477 -4.085 1.00 0.00 H ATOM 461 H TRP A 41 4.706 -19.444 -2.343 1.00 0.00 H ATOM 462 N LYS A 42 4.149 -23.380 -0.687 1.00 34.04 N ATOM 463 CA LYS A 42 4.958 -24.576 -0.486 1.00 2.03 C ATOM 464 C LYS A 42 5.645 -24.992 -1.782 1.00 63.13 C ATOM 465 O LYS A 42 4.986 -25.302 -2.774 1.00 2.42 O ATOM 466 CB LYS A 42 4.089 -25.723 0.035 1.00 64.45 C ATOM 467 CG LYS A 42 2.945 -26.089 -0.895 1.00 31.33 C ATOM 468 CD LYS A 42 1.987 -27.071 -0.240 1.00 64.13 C ATOM 469 CE LYS A 42 2.539 -28.489 -0.266 1.00 55.53 C ATOM 470 NZ LYS A 42 1.690 -29.428 0.518 1.00 2.12 N ATOM 471 HZ1 LYS A 42 1.648 -29.112 1.508 1.00 0.00 H ATOM 472 HZ2 LYS A 42 0.731 -29.443 0.117 1.00 0.00 H ATOM 473 HZ3 LYS A 42 2.100 -30.383 0.475 1.00 0.00 H ATOM 474 H LYS A 42 3.145 -23.396 -0.417 1.00 0.00 H ATOM 475 N GLY A 43 6.975 -24.998 -1.767 1.00 31.32 N ATOM 476 CA GLY A 43 7.729 -25.379 -2.947 1.00 33.51 C ATOM 477 C GLY A 43 8.114 -24.187 -3.799 1.00 50.41 C ATOM 478 O GLY A 43 9.149 -24.199 -4.465 1.00 43.14 O ATOM 479 H GLY A 43 7.480 -24.727 -0.900 1.00 0.00 H ATOM 480 N PHE A 44 7.279 -23.153 -3.780 1.00 74.41 N ATOM 481 CA PHE A 44 7.536 -21.948 -4.559 1.00 52.13 C ATOM 482 C PHE A 44 8.513 -21.029 -3.833 1.00 2.34 C ATOM 483 O PHE A 44 8.565 -21.008 -2.603 1.00 24.20 O ATOM 484 CB PHE A 44 6.227 -21.204 -4.835 1.00 22.15 C ATOM 485 CG PHE A 44 5.551 -21.631 -6.106 1.00 43.42 C ATOM 486 CD1 PHE A 44 4.865 -22.832 -6.172 1.00 71.31 C ATOM 487 CD2 PHE A 44 5.603 -20.830 -7.236 1.00 13.12 C ATOM 488 CE1 PHE A 44 4.241 -23.228 -7.341 1.00 4.33 C ATOM 489 CE2 PHE A 44 4.981 -21.220 -8.407 1.00 11.31 C ATOM 490 CZ PHE A 44 4.300 -22.421 -8.460 1.00 5.42 C ATOM 491 H PHE A 44 6.421 -23.205 -3.195 1.00 0.00 H ATOM 492 N SER A 45 9.287 -20.270 -4.603 1.00 32.14 N ATOM 493 CA SER A 45 10.266 -19.352 -4.033 1.00 41.35 C ATOM 494 C SER A 45 9.998 -17.921 -4.490 1.00 2.33 C ATOM 495 O SER A 45 9.191 -17.686 -5.388 1.00 43.15 O ATOM 496 CB SER A 45 11.682 -19.770 -4.434 1.00 61.21 C ATOM 497 OG SER A 45 11.995 -21.057 -3.931 1.00 22.25 O ATOM 498 HG SER A 45 12.914 -21.302 -4.204 1.00 0.00 H ATOM 499 H SER A 45 9.192 -20.333 -5.637 1.00 0.00 H ATOM 500 N GLU A 46 10.682 -16.968 -3.863 1.00 33.55 N ATOM 501 CA GLU A 46 10.517 -15.560 -4.203 1.00 60.33 C ATOM 502 C GLU A 46 10.782 -15.325 -5.688 1.00 23.15 C ATOM 503 O GLU A 46 10.326 -14.336 -6.260 1.00 62.24 O ATOM 504 CB GLU A 46 11.459 -14.696 -3.362 1.00 54.44 C ATOM 505 CG GLU A 46 11.091 -13.221 -3.359 1.00 71.41 C ATOM 506 CD GLU A 46 12.162 -12.354 -2.726 1.00 60.43 C ATOM 507 OE1 GLU A 46 12.616 -11.396 -3.387 1.00 34.22 O ATOM 508 OE2 GLU A 46 12.547 -12.634 -1.572 1.00 12.22 O ATOM 509 H GLU A 46 11.351 -17.234 -3.112 1.00 0.00 H ATOM 510 N GLU A 47 11.523 -16.241 -6.303 1.00 24.32 N ATOM 511 CA GLU A 47 11.851 -16.133 -7.720 1.00 14.34 C ATOM 512 C GLU A 47 10.585 -15.988 -8.561 1.00 25.04 C ATOM 513 O GLU A 47 10.566 -15.260 -9.553 1.00 44.25 O ATOM 514 CB GLU A 47 12.644 -17.358 -8.178 1.00 74.31 C ATOM 515 CG GLU A 47 14.021 -17.464 -7.545 1.00 50.32 C ATOM 516 CD GLU A 47 14.709 -18.778 -7.861 1.00 12.24 C ATOM 517 OE1 GLU A 47 15.343 -18.873 -8.933 1.00 14.44 O ATOM 518 OE2 GLU A 47 14.613 -19.711 -7.036 1.00 44.14 O ATOM 519 H GLU A 47 11.878 -17.055 -5.761 1.00 0.00 H ATOM 520 N HIS A 48 9.530 -16.687 -8.156 1.00 71.52 N ATOM 521 CA HIS A 48 8.260 -16.638 -8.872 1.00 11.42 C ATOM 522 C HIS A 48 7.552 -15.308 -8.630 1.00 41.23 C ATOM 523 O HIS A 48 6.690 -14.902 -9.408 1.00 72.55 O ATOM 524 CB HIS A 48 7.360 -17.794 -8.437 1.00 75.30 C ATOM 525 CG HIS A 48 7.639 -19.076 -9.160 1.00 41.44 C ATOM 526 ND1 HIS A 48 7.158 -19.347 -10.424 1.00 2.21 N ATOM 527 CD2 HIS A 48 8.357 -20.162 -8.791 1.00 75.32 C ATOM 528 CE1 HIS A 48 7.566 -20.546 -10.800 1.00 1.31 C ATOM 529 NE2 HIS A 48 8.296 -21.062 -9.827 1.00 55.31 N ATOM 530 H HIS A 48 9.612 -17.283 -7.308 1.00 0.00 H ATOM 531 N ASN A 49 7.922 -14.634 -7.546 1.00 64.10 N ATOM 532 CA ASN A 49 7.322 -13.351 -7.201 1.00 53.44 C ATOM 533 C ASN A 49 5.800 -13.424 -7.281 1.00 11.55 C ATOM 534 O ASN A 49 5.180 -12.787 -8.133 1.00 14.21 O ATOM 535 CB ASN A 49 7.840 -12.254 -8.134 1.00 62.43 C ATOM 536 CG ASN A 49 9.349 -12.116 -8.081 1.00 4.33 C ATOM 537 OD1 ASN A 49 10.043 -12.374 -9.065 1.00 11.44 O ATOM 538 ND2 ASN A 49 9.865 -11.707 -6.927 1.00 42.44 N ATOM 539 HD22 ASN A 49 9.240 -11.501 -6.122 1.00 0.00 H ATOM 540 HD21 ASN A 49 10.894 -11.593 -6.829 1.00 0.00 H ATOM 541 H ASN A 49 8.658 -15.032 -6.928 1.00 0.00 H ATOM 542 N THR A 50 5.203 -14.204 -6.385 1.00 73.12 N ATOM 543 CA THR A 50 3.754 -14.361 -6.353 1.00 62.23 C ATOM 544 C THR A 50 3.112 -13.350 -5.411 1.00 1.15 C ATOM 545 O THR A 50 3.547 -13.187 -4.271 1.00 2.14 O ATOM 546 CB THR A 50 3.353 -15.782 -5.914 1.00 73.14 C ATOM 547 OG1 THR A 50 4.032 -16.131 -4.703 1.00 15.33 O ATOM 548 CG2 THR A 50 3.685 -16.797 -6.998 1.00 33.13 C ATOM 549 HG1 THR A 50 3.786 -15.488 -3.991 1.00 0.00 H ATOM 550 H THR A 50 5.784 -14.715 -5.690 1.00 0.00 H ATOM 551 N TRP A 51 2.076 -12.674 -5.893 1.00 35.22 N ATOM 552 CA TRP A 51 1.373 -11.678 -5.091 1.00 71.53 C ATOM 553 C TRP A 51 -0.055 -12.125 -4.799 1.00 14.44 C ATOM 554 O TRP A 51 -0.692 -12.778 -5.625 1.00 1.34 O ATOM 555 CB TRP A 51 1.361 -10.329 -5.812 1.00 64.41 C ATOM 556 CG TRP A 51 2.695 -9.645 -5.813 1.00 72.12 C ATOM 557 CD1 TRP A 51 3.683 -9.778 -6.746 1.00 43.32 C ATOM 558 CD2 TRP A 51 3.186 -8.723 -4.834 1.00 32.42 C ATOM 559 NE1 TRP A 51 4.759 -8.994 -6.406 1.00 2.23 N ATOM 560 CE2 TRP A 51 4.479 -8.336 -5.237 1.00 72.42 C ATOM 561 CE3 TRP A 51 2.658 -8.186 -3.657 1.00 4.33 C ATOM 562 CZ2 TRP A 51 5.249 -7.438 -4.504 1.00 25.44 C ATOM 563 CZ3 TRP A 51 3.425 -7.295 -2.930 1.00 12.15 C ATOM 564 CH2 TRP A 51 4.708 -6.928 -3.355 1.00 43.31 C ATOM 565 HE1 TRP A 51 5.643 -8.913 -6.948 1.00 0.00 H ATOM 566 H TRP A 51 1.758 -12.859 -6.866 1.00 0.00 H ATOM 567 N GLU A 52 -0.552 -11.768 -3.618 1.00 54.55 N ATOM 568 CA GLU A 52 -1.906 -12.133 -3.218 1.00 52.23 C ATOM 569 C GLU A 52 -2.658 -10.922 -2.674 1.00 52.42 C ATOM 570 O GLU A 52 -2.124 -10.121 -1.906 1.00 71.31 O ATOM 571 CB GLU A 52 -1.869 -13.240 -2.163 1.00 24.01 C ATOM 572 CG GLU A 52 -3.232 -13.836 -1.858 1.00 34.53 C ATOM 573 CD GLU A 52 -3.164 -14.956 -0.837 1.00 73.24 C ATOM 574 OE1 GLU A 52 -2.516 -15.984 -1.128 1.00 10.45 O ATOM 575 OE2 GLU A 52 -3.759 -14.806 0.250 1.00 1.31 O ATOM 576 H GLU A 52 0.039 -11.216 -2.964 1.00 0.00 H ATOM 577 N PRO A 53 -3.929 -10.782 -3.082 1.00 24.54 N ATOM 578 CA PRO A 53 -4.782 -9.672 -2.648 1.00 22.21 C ATOM 579 C PRO A 53 -5.162 -9.775 -1.175 1.00 14.42 C ATOM 580 O PRO A 53 -5.197 -10.866 -0.609 1.00 34.54 O ATOM 581 CB PRO A 53 -6.023 -9.813 -3.532 1.00 15.20 C ATOM 582 CG PRO A 53 -6.064 -11.255 -3.902 1.00 63.30 C ATOM 583 CD PRO A 53 -4.630 -11.699 -3.996 1.00 41.35 C ATOM 584 N GLU A 54 -5.447 -8.630 -0.561 1.00 21.42 N ATOM 585 CA GLU A 54 -5.825 -8.593 0.847 1.00 24.21 C ATOM 586 C GLU A 54 -6.998 -9.530 1.121 1.00 42.13 C ATOM 587 O GLU A 54 -6.991 -10.285 2.093 1.00 63.43 O ATOM 588 CB GLU A 54 -6.189 -7.166 1.263 1.00 72.43 C ATOM 589 CG GLU A 54 -6.077 -6.921 2.758 1.00 41.51 C ATOM 590 CD GLU A 54 -6.797 -5.661 3.198 1.00 53.23 C ATOM 591 OE1 GLU A 54 -7.726 -5.768 4.026 1.00 50.30 O ATOM 592 OE2 GLU A 54 -6.433 -4.569 2.714 1.00 52.21 O ATOM 593 H GLU A 54 -5.399 -7.740 -1.098 1.00 0.00 H ATOM 594 N LYS A 55 -8.006 -9.474 0.256 1.00 25.24 N ATOM 595 CA LYS A 55 -9.187 -10.317 0.402 1.00 4.22 C ATOM 596 C LYS A 55 -8.793 -11.780 0.579 1.00 2.32 C ATOM 597 O LYS A 55 -9.293 -12.463 1.471 1.00 35.30 O ATOM 598 CB LYS A 55 -10.099 -10.167 -0.817 1.00 62.14 C ATOM 599 CG LYS A 55 -11.499 -10.713 -0.600 1.00 73.51 C ATOM 600 CD LYS A 55 -12.351 -9.756 0.216 1.00 11.11 C ATOM 601 CE LYS A 55 -13.832 -10.081 0.090 1.00 44.55 C ATOM 602 NZ LYS A 55 -14.376 -9.681 -1.238 1.00 4.22 N ATOM 603 HZ1 LYS A 55 -14.254 -8.656 -1.367 1.00 0.00 H ATOM 604 HZ2 LYS A 55 -13.865 -10.189 -1.988 1.00 0.00 H ATOM 605 HZ3 LYS A 55 -15.387 -9.920 -1.283 1.00 0.00 H ATOM 606 H LYS A 55 -7.951 -8.813 -0.545 1.00 0.00 H ATOM 607 N ASN A 56 -7.892 -12.253 -0.276 1.00 2.13 N ATOM 608 CA ASN A 56 -7.430 -13.635 -0.213 1.00 12.15 C ATOM 609 C ASN A 56 -6.467 -13.834 0.953 1.00 4.14 C ATOM 610 O ASN A 56 -6.376 -14.924 1.519 1.00 31.25 O ATOM 611 CB ASN A 56 -6.748 -14.027 -1.525 1.00 35.31 C ATOM 612 CG ASN A 56 -6.525 -15.523 -1.636 1.00 33.22 C ATOM 613 OD1 ASN A 56 -5.891 -16.133 -0.775 1.00 11.14 O ATOM 614 ND2 ASN A 56 -7.047 -16.122 -2.700 1.00 50.32 N ATOM 615 HD22 ASN A 56 -7.576 -15.566 -3.403 1.00 0.00 H ATOM 616 HD21 ASN A 56 -6.927 -17.147 -2.831 1.00 0.00 H ATOM 617 H ASN A 56 -7.507 -11.622 -1.008 1.00 0.00 H ATOM 618 N LEU A 57 -5.749 -12.774 1.308 1.00 42.21 N ATOM 619 CA LEU A 57 -4.792 -12.831 2.407 1.00 3.34 C ATOM 620 C LEU A 57 -5.466 -13.300 3.693 1.00 61.15 C ATOM 621 O LEU A 57 -6.196 -12.544 4.334 1.00 25.34 O ATOM 622 CB LEU A 57 -4.153 -11.458 2.625 1.00 10.12 C ATOM 623 CG LEU A 57 -2.714 -11.301 2.132 1.00 72.12 C ATOM 624 CD1 LEU A 57 -1.795 -12.278 2.848 1.00 2.14 C ATOM 625 CD2 LEU A 57 -2.642 -11.505 0.626 1.00 43.35 C ATOM 626 H LEU A 57 -5.873 -11.881 0.789 1.00 0.00 H ATOM 627 N ASP A 58 -5.215 -14.551 4.063 1.00 12.11 N ATOM 628 CA ASP A 58 -5.795 -15.121 5.274 1.00 52.43 C ATOM 629 C ASP A 58 -4.737 -15.278 6.361 1.00 11.23 C ATOM 630 O ASP A 58 -4.638 -16.328 6.998 1.00 41.35 O ATOM 631 CB ASP A 58 -6.436 -16.475 4.969 1.00 33.40 C ATOM 632 CG ASP A 58 -5.444 -17.471 4.402 1.00 62.14 C ATOM 633 OD1 ASP A 58 -4.959 -17.248 3.272 1.00 33.41 O ATOM 634 OD2 ASP A 58 -5.151 -18.473 5.087 1.00 1.54 O ATOM 635 H ASP A 58 -4.590 -15.138 3.475 1.00 0.00 H ATOM 636 N CYS A 59 -3.949 -14.229 6.568 1.00 3.12 N ATOM 637 CA CYS A 59 -2.896 -14.251 7.578 1.00 71.02 C ATOM 638 C CYS A 59 -2.454 -12.835 7.933 1.00 23.31 C ATOM 639 O CYS A 59 -1.445 -12.331 7.439 1.00 21.31 O ATOM 640 CB CYS A 59 -1.699 -15.062 7.079 1.00 34.20 C ATOM 641 SG CYS A 59 -1.652 -16.762 7.694 1.00 71.03 S ATOM 642 H CYS A 59 -4.086 -13.371 5.996 1.00 0.00 H ATOM 643 N PRO A 60 -3.226 -12.176 8.809 1.00 33.13 N ATOM 644 CA PRO A 60 -2.935 -10.809 9.249 1.00 4.44 C ATOM 645 C PRO A 60 -1.697 -10.737 10.137 1.00 1.13 C ATOM 646 O PRO A 60 -0.873 -9.834 9.996 1.00 10.15 O ATOM 647 CB PRO A 60 -4.184 -10.417 10.042 1.00 54.34 C ATOM 648 CG PRO A 60 -4.756 -11.710 10.512 1.00 44.30 C ATOM 649 CD PRO A 60 -4.444 -12.715 9.438 1.00 23.23 C ATOM 650 N GLU A 61 -1.573 -11.695 11.051 1.00 53.31 N ATOM 651 CA GLU A 61 -0.435 -11.738 11.962 1.00 72.44 C ATOM 652 C GLU A 61 0.878 -11.584 11.199 1.00 33.33 C ATOM 653 O GLU A 61 1.793 -10.894 11.650 1.00 51.34 O ATOM 654 CB GLU A 61 -0.431 -13.052 12.746 1.00 73.34 C ATOM 655 CG GLU A 61 -0.367 -14.288 11.863 1.00 3.52 C ATOM 656 CD GLU A 61 -0.964 -15.512 12.529 1.00 62.11 C ATOM 657 OE1 GLU A 61 -0.203 -16.460 12.817 1.00 14.15 O ATOM 658 OE2 GLU A 61 -2.191 -15.523 12.761 1.00 24.01 O ATOM 659 H GLU A 61 -2.305 -12.431 11.118 1.00 0.00 H ATOM 660 N LEU A 62 0.963 -12.233 10.043 1.00 1.31 N ATOM 661 CA LEU A 62 2.164 -12.169 9.217 1.00 31.21 C ATOM 662 C LEU A 62 2.547 -10.722 8.924 1.00 61.22 C ATOM 663 O LEU A 62 3.725 -10.364 8.951 1.00 31.12 O ATOM 664 CB LEU A 62 1.946 -12.927 7.906 1.00 13.32 C ATOM 665 CG LEU A 62 2.295 -14.415 7.925 1.00 31.30 C ATOM 666 CD1 LEU A 62 3.773 -14.613 8.225 1.00 34.11 C ATOM 667 CD2 LEU A 62 1.438 -15.151 8.945 1.00 24.12 C ATOM 668 H LEU A 62 0.154 -12.800 9.719 1.00 0.00 H ATOM 669 N ILE A 63 1.545 -9.895 8.646 1.00 62.15 N ATOM 670 CA ILE A 63 1.777 -8.487 8.351 1.00 44.42 C ATOM 671 C ILE A 63 2.109 -7.707 9.619 1.00 63.13 C ATOM 672 O ILE A 63 3.002 -6.859 9.623 1.00 75.14 O ATOM 673 CB ILE A 63 0.553 -7.844 7.672 1.00 21.13 C ATOM 674 CG1 ILE A 63 0.273 -8.522 6.329 1.00 11.44 C ATOM 675 CG2 ILE A 63 0.776 -6.351 7.482 1.00 34.14 C ATOM 676 CD1 ILE A 63 -0.558 -9.780 6.449 1.00 11.11 C ATOM 677 H ILE A 63 0.572 -10.261 8.639 1.00 0.00 H ATOM 678 N SER A 64 1.386 -8.002 10.694 1.00 1.33 N ATOM 679 CA SER A 64 1.602 -7.327 11.969 1.00 62.11 C ATOM 680 C SER A 64 3.076 -7.368 12.362 1.00 32.12 C ATOM 681 O SER A 64 3.678 -6.337 12.661 1.00 34.32 O ATOM 682 CB SER A 64 0.752 -7.975 13.064 1.00 63.25 C ATOM 683 OG SER A 64 0.539 -7.080 14.141 1.00 5.11 O ATOM 684 HG SER A 64 -0.012 -7.524 14.833 1.00 0.00 H ATOM 685 H SER A 64 0.648 -8.732 10.625 1.00 0.00 H ATOM 686 N GLU A 65 3.650 -8.567 12.359 1.00 35.32 N ATOM 687 CA GLU A 65 5.052 -8.743 12.717 1.00 63.04 C ATOM 688 C GLU A 65 5.965 -8.157 11.643 1.00 12.11 C ATOM 689 O GLU A 65 6.968 -7.512 11.949 1.00 14.35 O ATOM 690 CB GLU A 65 5.369 -10.227 12.916 1.00 53.20 C ATOM 691 CG GLU A 65 5.095 -11.078 11.688 1.00 53.05 C ATOM 692 CD GLU A 65 5.126 -12.564 11.989 1.00 40.25 C ATOM 693 OE1 GLU A 65 4.042 -13.182 12.036 1.00 13.24 O ATOM 694 OE2 GLU A 65 6.234 -13.108 12.176 1.00 32.54 O ATOM 695 H GLU A 65 3.085 -9.399 12.095 1.00 0.00 H ATOM 696 N PHE A 66 5.610 -8.387 10.383 1.00 11.22 N ATOM 697 CA PHE A 66 6.397 -7.884 9.263 1.00 13.43 C ATOM 698 C PHE A 66 6.632 -6.382 9.395 1.00 11.33 C ATOM 699 O PHE A 66 7.743 -5.896 9.185 1.00 30.14 O ATOM 700 CB PHE A 66 5.691 -8.186 7.940 1.00 61.41 C ATOM 701 CG PHE A 66 6.530 -7.886 6.731 1.00 61.02 C ATOM 702 CD1 PHE A 66 7.513 -8.770 6.316 1.00 32.20 C ATOM 703 CD2 PHE A 66 6.336 -6.719 6.009 1.00 23.13 C ATOM 704 CE1 PHE A 66 8.286 -8.497 5.204 1.00 64.14 C ATOM 705 CE2 PHE A 66 7.106 -6.441 4.896 1.00 44.20 C ATOM 706 CZ PHE A 66 8.083 -7.330 4.493 1.00 25.23 C ATOM 707 H PHE A 66 4.750 -8.939 10.191 1.00 0.00 H ATOM 708 N MET A 67 5.577 -5.652 9.744 1.00 62.11 N ATOM 709 CA MET A 67 5.669 -4.206 9.905 1.00 55.55 C ATOM 710 C MET A 67 6.727 -3.839 10.940 1.00 63.33 C ATOM 711 O MET A 67 7.434 -2.842 10.794 1.00 11.51 O ATOM 712 CB MET A 67 4.313 -3.630 10.319 1.00 72.40 C ATOM 713 CG MET A 67 3.384 -3.358 9.147 1.00 60.52 C ATOM 714 SD MET A 67 3.801 -1.840 8.268 1.00 34.12 S ATOM 715 CE MET A 67 2.198 -1.044 8.189 1.00 21.01 C ATOM 716 H MET A 67 4.664 -6.124 9.906 1.00 0.00 H ATOM 717 N LYS A 68 6.832 -4.652 11.986 1.00 70.15 N ATOM 718 CA LYS A 68 7.805 -4.415 13.045 1.00 10.12 C ATOM 719 C LYS A 68 9.222 -4.368 12.482 1.00 12.43 C ATOM 720 O LYS A 68 9.972 -3.425 12.738 1.00 33.22 O ATOM 721 CB LYS A 68 7.705 -5.508 14.112 1.00 53.32 C ATOM 722 CG LYS A 68 6.289 -5.743 14.611 1.00 45.05 C ATOM 723 CD LYS A 68 5.721 -4.504 15.281 1.00 4.43 C ATOM 724 CE LYS A 68 4.319 -4.192 14.780 1.00 5.33 C ATOM 725 NZ LYS A 68 3.288 -5.017 15.468 1.00 3.23 N ATOM 726 HZ1 LYS A 68 3.480 -6.024 15.295 1.00 0.00 H ATOM 727 HZ2 LYS A 68 3.319 -4.827 16.490 1.00 0.00 H ATOM 728 HZ3 LYS A 68 2.347 -4.774 15.098 1.00 0.00 H ATOM 729 H LYS A 68 6.204 -5.478 12.051 1.00 0.00 H ATOM 730 N LYS A 69 9.582 -5.389 11.713 1.00 24.43 N ATOM 731 CA LYS A 69 10.908 -5.464 11.111 1.00 3.21 C ATOM 732 C LYS A 69 11.093 -4.370 10.064 1.00 13.24 C ATOM 733 O LYS A 69 12.087 -3.643 10.080 1.00 34.14 O ATOM 734 CB LYS A 69 11.124 -6.837 10.472 1.00 63.50 C ATOM 735 CG LYS A 69 11.476 -7.925 11.472 1.00 21.11 C ATOM 736 CD LYS A 69 12.047 -9.153 10.783 1.00 71.13 C ATOM 737 CE LYS A 69 12.195 -10.317 11.750 1.00 35.33 C ATOM 738 NZ LYS A 69 13.045 -11.402 11.187 1.00 23.02 N ATOM 739 HZ1 LYS A 69 12.614 -11.759 10.310 1.00 0.00 H ATOM 740 HZ2 LYS A 69 13.993 -11.027 10.981 1.00 0.00 H ATOM 741 HZ3 LYS A 69 13.120 -12.176 11.878 1.00 0.00 H ATOM 742 H LYS A 69 8.901 -6.155 11.536 1.00 0.00 H ATOM 743 N TYR A 70 10.129 -4.257 9.157 1.00 21.11 N ATOM 744 CA TYR A 70 10.186 -3.252 8.102 1.00 1.04 C ATOM 745 C TYR A 70 10.405 -1.860 8.688 1.00 63.15 C ATOM 746 O TYR A 70 11.213 -1.080 8.181 1.00 32.55 O ATOM 747 CB TYR A 70 8.898 -3.274 7.278 1.00 12.31 C ATOM 748 CG TYR A 70 9.032 -2.607 5.927 1.00 32.35 C ATOM 749 CD1 TYR A 70 8.916 -3.342 4.754 1.00 74.21 C ATOM 750 CD2 TYR A 70 9.276 -1.243 5.825 1.00 74.43 C ATOM 751 CE1 TYR A 70 9.038 -2.738 3.518 1.00 51.14 C ATOM 752 CE2 TYR A 70 9.398 -0.630 4.593 1.00 71.52 C ATOM 753 CZ TYR A 70 9.279 -1.382 3.442 1.00 14.13 C ATOM 754 OH TYR A 70 9.401 -0.775 2.213 1.00 22.32 O ATOM 755 HH TYR A 70 9.290 -1.452 1.499 1.00 0.00 H ATOM 756 H TYR A 70 9.314 -4.901 9.200 1.00 0.00 H ATOM 757 N LYS A 71 9.680 -1.555 9.758 1.00 4.14 N ATOM 758 CA LYS A 71 9.795 -0.259 10.416 1.00 14.23 C ATOM 759 C LYS A 71 11.254 0.080 10.701 1.00 23.13 C ATOM 760 O LYS A 71 11.732 1.160 10.353 1.00 74.15 O ATOM 761 CB LYS A 71 8.995 -0.254 11.721 1.00 53.41 C ATOM 762 CG LYS A 71 8.684 1.140 12.238 1.00 12.13 C ATOM 763 CD LYS A 71 9.888 1.761 12.926 1.00 30.15 C ATOM 764 CE LYS A 71 9.494 2.978 13.749 1.00 53.10 C ATOM 765 NZ LYS A 71 8.865 2.593 15.043 1.00 54.23 N ATOM 766 HZ1 LYS A 71 8.008 2.033 14.858 1.00 0.00 H ATOM 767 HZ2 LYS A 71 9.537 2.027 15.599 1.00 0.00 H ATOM 768 HZ3 LYS A 71 8.612 3.451 15.573 1.00 0.00 H ATOM 769 H LYS A 71 9.014 -2.258 10.136 1.00 0.00 H ATOM 770 N LYS A 72 11.960 -0.850 11.336 1.00 34.11 N ATOM 771 CA LYS A 72 13.366 -0.652 11.666 1.00 61.21 C ATOM 772 C LYS A 72 14.186 -0.374 10.410 1.00 75.32 C ATOM 773 O LYS A 72 15.062 0.489 10.408 1.00 1.50 O ATOM 774 CB LYS A 72 13.920 -1.883 12.387 1.00 21.11 C ATOM 775 CG LYS A 72 13.700 -1.858 13.890 1.00 40.12 C ATOM 776 CD LYS A 72 12.271 -2.227 14.250 1.00 30.53 C ATOM 777 CE LYS A 72 12.072 -2.281 15.757 1.00 24.03 C ATOM 778 NZ LYS A 72 10.779 -2.921 16.124 1.00 53.01 N ATOM 779 HZ1 LYS A 72 9.995 -2.377 15.711 1.00 0.00 H ATOM 780 HZ2 LYS A 72 10.759 -3.894 15.757 1.00 0.00 H ATOM 781 HZ3 LYS A 72 10.683 -2.937 17.159 1.00 0.00 H ATOM 782 H LYS A 72 11.497 -1.742 11.604 1.00 0.00 H ATOM 783 N MET A 73 13.893 -1.111 9.343 1.00 41.21 N ATOM 784 CA MET A 73 14.602 -0.941 8.080 1.00 52.22 C ATOM 785 C MET A 73 14.557 0.514 7.623 1.00 23.00 C ATOM 786 O MET A 73 15.593 1.123 7.354 1.00 71.04 O ATOM 787 CB MET A 73 13.995 -1.844 7.004 1.00 10.13 C ATOM 788 CG MET A 73 15.007 -2.335 5.982 1.00 74.42 C ATOM 789 SD MET A 73 16.016 -3.695 6.601 1.00 32.13 S ATOM 790 CE MET A 73 17.637 -2.934 6.616 1.00 62.13 C ATOM 791 H MET A 73 13.140 -1.826 9.411 1.00 0.00 H ATOM 792 N LYS A 74 13.352 1.066 7.538 1.00 73.04 N ATOM 793 CA LYS A 74 13.171 2.450 7.114 1.00 24.44 C ATOM 794 C LYS A 74 13.491 3.413 8.253 1.00 33.22 C ATOM 795 O LYS A 74 13.237 3.114 9.420 1.00 55.45 O ATOM 796 CB LYS A 74 11.737 2.674 6.630 1.00 62.52 C ATOM 797 CG LYS A 74 11.511 2.259 5.186 1.00 2.21 C ATOM 798 CD LYS A 74 12.102 3.269 4.217 1.00 1.40 C ATOM 799 CE LYS A 74 11.951 2.812 2.774 1.00 13.23 C ATOM 800 NZ LYS A 74 10.576 3.058 2.256 1.00 64.01 N ATOM 801 HZ1 LYS A 74 9.889 2.537 2.838 1.00 0.00 H ATOM 802 HZ2 LYS A 74 10.367 4.076 2.300 1.00 0.00 H ATOM 803 HZ3 LYS A 74 10.515 2.733 1.270 1.00 0.00 H ATOM 804 H LYS A 74 12.516 0.497 7.780 1.00 0.00 H ATOM 805 N GLU A 75 14.048 4.569 7.906 1.00 74.11 N ATOM 806 CA GLU A 75 14.400 5.575 8.900 1.00 3.43 C ATOM 807 C GLU A 75 13.195 6.446 9.244 1.00 2.04 C ATOM 808 O GLU A 75 12.681 7.175 8.398 1.00 55.23 O ATOM 809 CB GLU A 75 15.546 6.451 8.388 1.00 22.33 C ATOM 810 CG GLU A 75 16.860 5.703 8.231 1.00 12.34 C ATOM 811 CD GLU A 75 16.977 5.006 6.890 1.00 23.42 C ATOM 812 OE1 GLU A 75 17.364 5.672 5.907 1.00 14.32 O ATOM 813 OE2 GLU A 75 16.683 3.794 6.823 1.00 22.03 O ATOM 814 H GLU A 75 14.237 4.760 6.901 1.00 0.00 H ATOM 815 N GLY A 76 12.750 6.363 10.495 1.00 71.05 N ATOM 816 CA GLY A 76 11.609 7.147 10.929 1.00 12.11 C ATOM 817 C GLY A 76 11.845 7.824 12.265 1.00 60.41 C ATOM 818 O GLY A 76 12.949 8.291 12.544 1.00 55.01 O ATOM 819 H GLY A 76 13.225 5.729 11.169 1.00 0.00 H ATOM 820 N GLU A 77 10.805 7.877 13.092 1.00 43.24 N ATOM 821 CA GLU A 77 10.905 8.504 14.404 1.00 5.32 C ATOM 822 C GLU A 77 10.333 7.594 15.487 1.00 1.11 C ATOM 823 O GLU A 77 9.425 6.805 15.233 1.00 73.54 O ATOM 824 CB GLU A 77 10.171 9.847 14.410 1.00 30.41 C ATOM 825 CG GLU A 77 10.919 10.953 13.685 1.00 75.34 C ATOM 826 CD GLU A 77 10.076 12.199 13.495 1.00 1.11 C ATOM 827 OE1 GLU A 77 9.600 12.426 12.363 1.00 43.31 O ATOM 828 OE2 GLU A 77 9.893 12.947 14.478 1.00 53.11 O ATOM 829 H GLU A 77 9.899 7.461 12.796 1.00 0.00 H ATOM 830 N ASN A 78 10.873 7.711 16.696 1.00 13.01 N ATOM 831 CA ASN A 78 10.417 6.898 17.818 1.00 2.42 C ATOM 832 C ASN A 78 9.279 7.589 18.563 1.00 31.03 C ATOM 833 O ASN A 78 9.338 8.788 18.834 1.00 71.42 O ATOM 834 CB ASN A 78 11.576 6.622 18.778 1.00 21.41 C ATOM 835 CG ASN A 78 12.494 5.524 18.275 1.00 34.13 C ATOM 836 OD1 ASN A 78 13.229 5.710 17.306 1.00 63.12 O ATOM 837 ND2 ASN A 78 12.454 4.372 18.934 1.00 33.42 N ATOM 838 HD22 ASN A 78 11.816 4.260 19.748 1.00 0.00 H ATOM 839 HD21 ASN A 78 13.060 3.581 18.636 1.00 0.00 H ATOM 840 H ASN A 78 11.639 8.399 16.846 1.00 0.00 H ATOM 841 N ASN A 79 8.244 6.823 18.892 1.00 12.05 N ATOM 842 CA ASN A 79 7.092 7.361 19.607 1.00 75.25 C ATOM 843 C ASN A 79 6.478 6.306 20.522 1.00 20.12 C ATOM 844 O ASN A 79 6.568 5.107 20.255 1.00 53.42 O ATOM 845 CB ASN A 79 6.041 7.865 18.615 1.00 12.12 C ATOM 846 CG ASN A 79 5.531 6.765 17.704 1.00 51.31 C ATOM 847 OD1 ASN A 79 4.589 6.049 18.044 1.00 23.10 O ATOM 848 ND2 ASN A 79 6.153 6.627 16.539 1.00 73.13 N ATOM 849 HD22 ASN A 79 6.945 7.256 16.295 1.00 0.00 H ATOM 850 HD21 ASN A 79 5.848 5.890 15.871 1.00 0.00 H ATOM 851 H ASN A 79 8.256 5.816 18.633 1.00 0.00 H ATOM 852 N LYS A 80 5.854 6.760 21.604 1.00 72.04 N ATOM 853 CA LYS A 80 5.223 5.857 22.559 1.00 10.22 C ATOM 854 C LYS A 80 3.803 6.312 22.882 1.00 5.44 C ATOM 855 O LYS A 80 3.608 7.479 23.218 1.00 53.51 O ATOM 856 CB LYS A 80 6.051 5.782 23.844 1.00 32.11 C ATOM 857 CG LYS A 80 5.894 4.470 24.593 1.00 62.44 C ATOM 858 CD LYS A 80 4.593 4.426 25.375 1.00 14.15 C ATOM 859 CE LYS A 80 4.496 3.170 26.227 1.00 22.42 C ATOM 860 NZ LYS A 80 3.246 3.142 27.036 1.00 40.22 N ATOM 861 HZ1 LYS A 80 3.225 3.967 27.668 1.00 0.00 H ATOM 862 HZ2 LYS A 80 2.423 3.170 26.401 1.00 0.00 H ATOM 863 HZ3 LYS A 80 3.220 2.270 27.602 1.00 0.00 H ATOM 864 H LYS A 80 5.815 7.785 21.774 1.00 0.00 H TER 865 LYS A 80 HETATM 866 N ALA A 1 -2.589 -35.786 5.332 1.00 0.24 N HETATM 867 CA ALA A 1 -3.634 -35.133 6.110 1.00 0.06 C HETATM 868 C ALA A 1 -3.466 -33.618 6.092 1.00 0.23 C HETATM 869 O ALA A 1 -2.361 -33.109 5.907 1.00 -0.39 O HETATM 870 N ALA A 1 -4.570 -32.903 6.285 1.00 -0.26 N HETATM 871 CA ALA A 1 -4.544 -31.445 6.289 1.00 0.13 C HETATM 872 C ALA A 1 -5.246 -30.892 7.526 1.00 0.20 C HETATM 873 O ALA A 1 -6.349 -31.320 7.871 1.00 -0.39 O HETATM 874 N ALA A 1 -4.600 -29.939 8.190 1.00 -0.26 N HETATM 875 CA ALA A 1 -5.161 -29.329 9.389 1.00 0.16 C HETATM 876 C ALA A 1 -5.070 -27.809 9.326 1.00 0.21 C HETATM 877 O ALA A 1 -6.066 -27.109 9.514 1.00 -0.39 O HETATM 878 N ALA A 1 -3.871 -27.302 9.060 1.00 -0.26 N HETATM 879 CA ALA A 1 -3.650 -25.864 8.970 1.00 0.13 C HETATM 880 C ALA A 1 -4.529 -25.245 7.887 1.00 0.20 C HETATM 881 O ALA A 1 -4.973 -25.933 6.968 1.00 -0.39 O HETATM 882 N ALA A 1 -4.775 -23.944 8.003 1.00 -0.26 N HETATM 883 CA ALA A 1 -5.600 -23.234 7.033 1.00 0.13 C HETATM 884 C ALA A 1 -4.901 -23.153 5.680 1.00 0.20 C HETATM 885 O ALA A 1 -3.818 -22.579 5.560 1.00 -0.39 O HETATM 886 N ALA A 1 -5.528 -23.733 4.660 1.00 -0.26 N HETATM 887 CA ALA A 1 -4.967 -23.728 3.315 1.00 0.16 C HETATM 888 C ALA A 1 -6.059 -23.565 2.264 1.00 0.21 C HETATM 889 O ALA A 1 -7.156 -24.103 2.408 1.00 -0.39 O HETATM 890 N ALA A 1 -5.750 -22.821 1.207 1.00 -0.26 N HETATM 891 CA ALA A 1 -6.705 -22.591 0.130 1.00 0.13 C HETATM 892 C ALA A 1 -6.005 -22.544 -1.224 1.00 0.20 C HETATM 893 O ALA A 1 -4.793 -22.339 -1.300 1.00 -0.39 O HETATM 894 N ALA A 1 -6.775 -22.735 -2.290 1.00 -0.26 N HETATM 895 CA ALA A 1 -6.227 -22.717 -3.641 1.00 0.13 C HETATM 896 C ALA A 1 -6.103 -21.286 -4.157 1.00 0.20 C HETATM 897 O ALA A 1 -6.556 -20.329 -3.508 1.00 -0.39 O HETATM 898 N ALA A 1 -5.488 -21.136 -5.327 1.00 -0.26 N HETATM 899 CA ALA A 1 -4.469 -20.050 -5.557 1.00 0.13 C HETATM 900 CB ALA A 1 -3.794 -20.213 -6.924 1.00 -0.01 C HETATM 901 CG ALA A 1 -2.447 -19.480 -7.013 1.00 -0.04 C HETATM 902 CD ALA A 1 -1.318 -20.190 -6.253 1.00 -0.01 C HETATM 903 CE ALA A 1 -0.922 -21.495 -6.949 1.00 -0.03 C HETATM 904 NZ ALA A 1 0.503 -21.568 -7.330 1.00 0.24 N HETATM 905 CM1 ALA A 1 0.747 -22.893 -7.903 1.00 -0.04 C HETATM 906 H84 ALA A 1 1.804 -22.976 -8.197 1.00 0.08 H HETATM 907 H85 ALA A 1 0.108 -23.033 -8.787 1.00 0.08 H HETATM 908 H86 ALA A 1 0.512 -23.665 -7.155 1.00 0.08 H HETATM 909 CM2 ALA A 1 1.377 -21.453 -6.155 1.00 -0.04 C HETATM 910 H87 ALA A 1 1.232 -20.469 -5.685 1.00 0.08 H HETATM 911 H88 ALA A 1 2.426 -21.559 -6.467 1.00 0.08 H HETATM 912 H89 ALA A 1 1.127 -22.245 -5.433 1.00 0.08 H HETATM 913 CM3 ALA A 1 0.851 -20.522 -8.310 1.00 -0.04 C HETATM 914 H90 ALA A 1 0.195 -20.610 -9.189 1.00 0.08 H HETATM 915 H91 ALA A 1 1.899 -20.645 -8.621 1.00 0.08 H HETATM 916 H92 ALA A 1 0.718 -19.531 -7.851 1.00 0.08 H HETATM 917 H82 ALA A 1 -1.529 -21.598 -7.861 1.00 0.08 H HETATM 918 H83 ALA A 1 -1.140 -22.330 -6.267 1.00 0.08 H HETATM 919 H80 ALA A 1 -1.659 -20.416 -5.232 1.00 0.03 H HETATM 920 H81 ALA A 1 -0.442 -19.526 -6.208 1.00 0.03 H HETATM 921 H78 ALA A 1 -2.570 -18.471 -6.593 1.00 0.03 H HETATM 922 H79 ALA A 1 -2.160 -19.404 -8.072 1.00 0.03 H HETATM 923 H76 ALA A 1 -4.465 -19.811 -7.698 1.00 0.03 H HETATM 924 H77 ALA A 1 -3.624 -21.284 -7.107 1.00 0.03 H HETATM 925 C ALA A 1 -5.158 -18.727 -5.529 1.00 0.20 C HETATM 926 O ALA A 1 -4.712 -17.829 -4.815 1.00 -0.39 O HETATM 927 N ALA A 1 -6.229 -18.572 -6.302 1.00 -0.26 N HETATM 928 CA ALA A 1 -6.955 -17.309 -6.359 1.00 0.15 C HETATM 929 C ALA A 1 -8.408 -17.535 -6.765 1.00 0.21 C HETATM 930 O ALA A 1 -8.700 -17.867 -7.914 1.00 -0.39 O HETATM 931 N ALA A 1 -9.317 -17.353 -5.812 1.00 -0.26 N HETATM 932 CA ALA A 1 -10.740 -17.538 -6.068 1.00 0.16 C HETATM 933 C ALA A 1 -11.514 -16.246 -5.831 1.00 0.21 C HETATM 934 O ALA A 1 -11.086 -15.388 -5.060 1.00 -0.39 O HETATM 935 N ALA A 1 -12.656 -16.114 -6.498 1.00 -0.27 N HETATM 936 CA ALA A 1 -13.472 -14.924 -6.345 1.00 0.12 C HETATM 937 C ALA A 1 -13.216 -13.902 -7.435 1.00 0.20 C HETATM 938 O ALA A 1 -12.601 -12.865 -7.192 1.00 -0.39 O HETATM 939 N ALA A 1 -13.689 -14.196 -8.643 1.00 -0.27 N HETATM 940 CA ALA A 1 -13.497 -13.285 -9.757 1.00 0.12 C HETATM 941 C ALA A 1 -14.553 -13.452 -10.830 1.00 0.20 C HETATM 942 O ALA A 1 -14.531 -14.421 -11.590 1.00 -0.39 O HETATM 943 N ALA A 1 -15.484 -12.505 -10.894 1.00 -0.26 N HETATM 944 CA ALA A 1 -16.555 -12.550 -11.882 1.00 0.13 C HETATM 945 C ALA A 1 -16.039 -12.158 -13.263 1.00 0.20 C HETATM 946 O ALA A 1 -15.093 -11.381 -13.384 1.00 -0.39 O HETATM 947 N ALA A 1 -16.667 -12.700 -14.301 1.00 -0.26 N HETATM 948 CA ALA A 1 -16.273 -12.404 -15.672 1.00 0.13 C HETATM 949 C ALA A 1 -17.356 -11.610 -16.395 1.00 0.21 C HETATM 950 O ALA A 1 -18.115 -12.144 -17.205 1.00 -0.39 O HETATM 951 N ALA A 1 -17.432 -10.305 -16.098 1.00 -0.25 N HETATM 952 CA ALA A 1 -18.419 -9.410 -16.709 1.00 0.13 C HETATM 953 C ALA A 1 -18.136 -9.157 -18.186 1.00 0.20 C HETATM 954 O ALA A 1 -17.046 -9.450 -18.678 1.00 -0.39 O HETATM 955 N ALA A 1 -19.124 -8.612 -18.888 1.00 -0.26 N HETATM 956 CA ALA A 1 -18.981 -8.321 -20.310 1.00 0.13 C HETATM 957 C ALA A 1 -17.974 -7.196 -20.536 1.00 0.20 C HETATM 958 O ALA A 1 -17.024 -7.346 -21.304 1.00 -0.39 O HETATM 959 N ALA A 1 -18.190 -6.072 -19.862 1.00 -0.27 N HETATM 960 CA ALA A 1 -17.303 -4.922 -19.992 1.00 0.10 C HETATM 961 C ALA A 1 -15.972 -5.178 -19.292 1.00 0.06 C HETATM 962 O ALA A 1 -15.937 -5.538 -18.117 1.00 -0.57 O HETATM 963 OXT ALA A 1 -14.907 -5.029 -19.889 1.00 -0.57 O HETATM 964 CB ALA A 1 -17.966 -3.672 -19.409 1.00 0.01 C HETATM 965 CG ALA A 1 -17.244 -2.389 -19.750 1.00 -0.05 C HETATM 966 CD1 ALA A 1 -16.218 -1.911 -18.943 1.00 -0.07 C HETATM 967 CE1 ALA A 1 -15.556 -0.738 -19.250 1.00 -0.04 C HETATM 968 CZ ALA A 1 -15.914 -0.027 -20.376 1.00 0.08 C HETATM 969 CE2 ALA A 1 -16.929 -0.481 -21.193 1.00 -0.04 C HETATM 970 CD2 ALA A 1 -17.587 -1.653 -20.877 1.00 -0.07 C HETATM 971 H154 ALA A 1 -18.386 -2.005 -21.520 1.00 0.05 H HETATM 972 H156 ALA A 1 -17.208 0.079 -22.078 1.00 0.05 H HETATM 973 OH ALA A 1 -15.257 1.142 -20.686 1.00 -0.34 O HETATM 974 H157 ALA A 1 -14.592 1.314 -20.030 1.00 0.25 H HETATM 975 H155 ALA A 1 -14.759 -0.378 -18.609 1.00 0.05 H HETATM 976 H153 ALA A 1 -15.933 -2.468 -18.058 1.00 0.05 H HETATM 977 H151 ALA A 1 -17.997 -3.773 -18.314 1.00 0.04 H HETATM 978 H152 ALA A 1 -18.992 -3.608 -19.800 1.00 0.04 H HETATM 979 H150 ALA A 1 -17.109 -4.751 -21.061 1.00 0.07 H HETATM 980 H149 ALA A 1 -18.980 -6.013 -19.251 1.00 0.19 H HETATM 981 CB ALA A 1 -20.334 -7.937 -20.912 1.00 -0.01 C HETATM 982 CG ALA A 1 -21.336 -9.079 -20.936 1.00 -0.02 C HETATM 983 CD ALA A 1 -22.701 -8.613 -21.416 1.00 0.06 C HETATM 984 NE ALA A 1 -23.714 -9.657 -21.284 1.00 -0.27 N HETATM 985 CZ ALA A 1 -24.313 -9.959 -20.138 1.00 0.29 C HETATM 986 NH1 ALA A 1 -24.002 -9.300 -19.030 1.00 -0.28 N HETATM 987 H145 ALA A 1 -24.468 -9.536 -18.142 1.00 0.26 H HETATM 988 H146 ALA A 1 -23.294 -8.552 -19.057 1.00 0.26 H HETATM 989 NH2 ALA A 1 -25.225 -10.922 -20.098 1.00 -0.28 N HETATM 990 H147 ALA A 1 -25.469 -11.436 -20.956 1.00 0.26 H HETATM 991 H148 ALA A 1 -25.689 -11.155 -19.208 1.00 0.26 H HETATM 992 H144 ALA A 1 -23.978 -10.188 -22.126 1.00 0.26 H HETATM 993 H142 ALA A 1 -22.625 -8.324 -22.474 1.00 0.07 H HETATM 994 H143 ALA A 1 -23.009 -7.742 -20.819 1.00 0.07 H HETATM 995 H140 ALA A 1 -21.435 -9.489 -19.920 1.00 0.03 H HETATM 996 H141 ALA A 1 -20.968 -9.864 -21.613 1.00 0.03 H HETATM 997 H138 ALA A 1 -20.171 -7.596 -21.945 1.00 0.03 H HETATM 998 H139 ALA A 1 -20.758 -7.115 -20.317 1.00 0.03 H HETATM 999 H137 ALA A 1 -18.614 -9.226 -20.816 1.00 0.08 H HETATM 1000 H136 ALA A 1 -19.986 -8.396 -18.430 1.00 0.19 H HETATM 1001 CB ALA A 1 -18.268 -8.115 -15.907 1.00 -0.01 C HETATM 1002 CG ALA A 1 -16.872 -8.151 -15.388 1.00 -0.03 C HETATM 1003 CD ALA A 1 -16.559 -9.601 -15.143 1.00 0.04 C HETATM 1004 H134 ALA A 1 -15.499 -9.815 -15.347 1.00 0.05 H HETATM 1005 H135 ALA A 1 -16.798 -9.886 -14.108 1.00 0.05 H HETATM 1006 H132 ALA A 1 -16.798 -7.580 -14.451 1.00 0.03 H HETATM 1007 H133 ALA A 1 -16.177 -7.730 -16.130 1.00 0.03 H HETATM 1008 H130 ALA A 1 -18.989 -8.086 -15.077 1.00 0.03 H HETATM 1009 H131 ALA A 1 -18.419 -7.238 -16.554 1.00 0.03 H HETATM 1010 H129 ALA A 1 -19.433 -9.823 -16.601 1.00 0.08 H HETATM 1011 CB ALA A 1 -15.969 -13.692 -16.424 1.00 -0.02 C HETATM 1012 H126 ALA A 1 -15.673 -13.453 -17.456 1.00 0.03 H HETATM 1013 H127 ALA A 1 -16.866 -14.329 -16.438 1.00 0.03 H HETATM 1014 H128 ALA A 1 -15.148 -14.225 -15.922 1.00 0.03 H HETATM 1015 H125 ALA A 1 -15.358 -11.793 -15.644 1.00 0.08 H HETATM 1016 H124 ALA A 1 -17.429 -13.327 -14.137 1.00 0.19 H HETATM 1017 CB ALA A 1 -17.697 -11.618 -11.469 1.00 -0.01 C HETATM 1018 CG ALA A 1 -18.501 -12.128 -10.286 1.00 -0.04 C HETATM 1019 CD ALA A 1 -19.524 -11.104 -9.824 1.00 -0.01 C HETATM 1020 CE ALA A 1 -20.760 -11.112 -10.710 1.00 -0.04 C HETATM 1021 NZ ALA A 1 -21.892 -10.368 -10.091 1.00 0.22 N HETATM 1022 H121 ALA A 1 -22.689 -10.396 -10.707 1.00 0.20 H HETATM 1023 H122 ALA A 1 -21.620 -9.410 -9.937 1.00 0.20 H HETATM 1024 H123 ALA A 1 -22.133 -10.794 -9.210 1.00 0.20 H HETATM 1025 H119 ALA A 1 -21.070 -12.154 -10.879 1.00 0.08 H HETATM 1026 H120 ALA A 1 -20.510 -10.643 -11.673 1.00 0.08 H HETATM 1027 H117 ALA A 1 -19.068 -10.104 -9.856 1.00 0.03 H HETATM 1028 H118 ALA A 1 -19.823 -11.338 -8.792 1.00 0.03 H HETATM 1029 H115 ALA A 1 -17.814 -12.347 -9.455 1.00 0.03 H HETATM 1030 H116 ALA A 1 -19.025 -13.049 -10.581 1.00 0.03 H HETATM 1031 H113 ALA A 1 -18.376 -11.500 -12.326 1.00 0.03 H HETATM 1032 H114 ALA A 1 -17.269 -10.640 -11.203 1.00 0.03 H HETATM 1033 H112 ALA A 1 -16.941 -13.579 -11.932 1.00 0.08 H HETATM 1034 H111 ALA A 1 -15.449 -11.742 -10.248 1.00 0.19 H HETATM 1035 H109 ALA A 1 -12.509 -13.475 -10.202 1.00 0.08 H HETATM 1036 H110 ALA A 1 -13.537 -12.252 -9.380 1.00 0.08 H HETATM 1037 H108 ALA A 1 -14.182 -15.054 -8.785 1.00 0.19 H HETATM 1038 H106 ALA A 1 -13.248 -14.465 -5.371 1.00 0.08 H HETATM 1039 H107 ALA A 1 -14.532 -15.216 -6.377 1.00 0.08 H HETATM 1040 H105 ALA A 1 -12.956 -16.843 -7.113 1.00 0.19 H HETATM 1041 CB ALA A 1 -11.331 -18.648 -5.179 1.00 0.09 C HETATM 1042 OG1 ALA A 1 -10.430 -19.759 -5.118 1.00 -0.39 O HETATM 1043 H101 ALA A 1 -10.803 -20.438 -4.568 1.00 0.21 H HETATM 1044 CG2 ALA A 1 -12.678 -19.109 -5.714 1.00 -0.03 C HETATM 1045 H102 ALA A 1 -13.079 -19.900 -5.064 1.00 0.03 H HETATM 1046 H103 ALA A 1 -12.553 -19.501 -6.734 1.00 0.03 H HETATM 1047 H104 ALA A 1 -13.376 -18.259 -5.731 1.00 0.03 H HETATM 1048 H100 ALA A 1 -11.472 -18.248 -4.164 1.00 0.06 H HETATM 1049 H99 ALA A 1 -10.863 -17.831 -7.121 1.00 0.08 H HETATM 1050 H98 ALA A 1 -9.017 -17.083 -4.897 1.00 0.19 H HETATM 1051 CB ALA A 1 -6.280 -16.353 -7.345 1.00 0.08 C HETATM 1052 OG ALA A 1 -6.455 -16.792 -8.681 1.00 -0.39 O HETATM 1053 H97 ALA A 1 -7.383 -16.831 -8.881 1.00 0.21 H HETATM 1054 H95 ALA A 1 -5.204 -16.305 -7.120 1.00 0.06 H HETATM 1055 H96 ALA A 1 -6.722 -15.352 -7.235 1.00 0.06 H HETATM 1056 H94 ALA A 1 -6.938 -16.852 -5.359 1.00 0.08 H HETATM 1057 H93 ALA A 1 -6.544 -19.341 -6.858 1.00 0.19 H HETATM 1058 H75 ALA A 1 -3.707 -20.091 -4.765 1.00 0.08 H HETATM 1059 H74 ALA A 1 -5.708 -21.762 -6.075 1.00 0.19 H HETATM 1060 CB ALA A 1 -7.111 -23.536 -4.584 1.00 -0.01 C HETATM 1061 CG ALA A 1 -6.871 -25.034 -4.495 1.00 -0.02 C HETATM 1062 CD ALA A 1 -7.758 -25.798 -5.466 1.00 0.06 C HETATM 1063 NE ALA A 1 -9.123 -25.939 -4.966 1.00 -0.27 N HETATM 1064 CZ ALA A 1 -10.099 -26.528 -5.648 1.00 0.29 C HETATM 1065 NH1 ALA A 1 -9.861 -27.028 -6.853 1.00 -0.28 N HETATM 1066 H70 ALA A 1 -10.619 -27.484 -7.380 1.00 0.26 H HETATM 1067 H71 ALA A 1 -8.918 -26.960 -7.262 1.00 0.26 H HETATM 1068 NH2 ALA A 1 -11.315 -26.618 -5.125 1.00 -0.28 N HETATM 1069 H72 ALA A 1 -11.503 -26.231 -4.189 1.00 0.26 H HETATM 1070 H73 ALA A 1 -12.071 -27.075 -5.655 1.00 0.26 H HETATM 1071 H69 ALA A 1 -9.341 -25.561 -4.033 1.00 0.26 H HETATM 1072 H67 ALA A 1 -7.332 -26.800 -5.623 1.00 0.07 H HETATM 1073 H68 ALA A 1 -7.785 -25.257 -6.423 1.00 0.07 H HETATM 1074 H65 ALA A 1 -7.089 -25.371 -3.471 1.00 0.03 H HETATM 1075 H66 ALA A 1 -5.817 -25.242 -4.733 1.00 0.03 H HETATM 1076 H63 ALA A 1 -6.912 -23.213 -5.616 1.00 0.03 H HETATM 1077 H64 ALA A 1 -8.164 -23.337 -4.334 1.00 0.03 H HETATM 1078 H62 ALA A 1 -5.224 -23.169 -3.617 1.00 0.08 H HETATM 1079 H61 ALA A 1 -7.754 -22.895 -2.163 1.00 0.19 H HETATM 1080 CB ALA A 1 -7.474 -21.301 0.374 1.00 -0.02 C HETATM 1081 H58 ALA A 1 -8.190 -21.140 -0.446 1.00 0.03 H HETATM 1082 H59 ALA A 1 -6.770 -20.457 0.416 1.00 0.03 H HETATM 1083 H60 ALA A 1 -8.018 -21.373 1.327 1.00 0.03 H HETATM 1084 H57 ALA A 1 -7.421 -23.426 0.119 1.00 0.08 H HETATM 1085 H56 ALA A 1 -4.841 -22.409 1.149 1.00 0.19 H HETATM 1086 CB ALA A 1 -4.183 -25.023 3.029 1.00 0.09 C HETATM 1087 OG1 ALA A 1 -3.390 -25.377 4.168 1.00 -0.39 O HETATM 1088 H52 ALA A 1 -3.958 -25.514 4.918 1.00 0.21 H HETATM 1089 CG2 ALA A 1 -3.286 -24.854 1.812 1.00 -0.03 C HETATM 1090 H53 ALA A 1 -2.738 -25.790 1.628 1.00 0.03 H HETATM 1091 H54 ALA A 1 -2.570 -24.039 1.994 1.00 0.03 H HETATM 1092 H55 ALA A 1 -3.902 -24.611 0.933 1.00 0.03 H HETATM 1093 H51 ALA A 1 -4.901 -25.832 2.829 1.00 0.06 H HETATM 1094 H50 ALA A 1 -4.275 -22.876 3.236 1.00 0.08 H HETATM 1095 H49 ALA A 1 -6.406 -24.184 4.820 1.00 0.19 H HETATM 1096 CB ALA A 1 -5.921 -21.827 7.539 1.00 0.00 C HETATM 1097 CG ALA A 1 -7.175 -21.229 6.920 1.00 0.04 C HETATM 1098 CD ALA A 1 -8.430 -21.997 7.287 1.00 0.17 C HETATM 1099 OE1 ALA A 1 -9.057 -21.729 8.312 1.00 -0.40 O HETATM 1100 NE2 ALA A 1 -8.803 -22.958 6.450 1.00 -0.30 N HETATM 1101 H47 ALA A 1 -9.623 -23.497 6.641 1.00 0.18 H HETATM 1102 H48 ALA A 1 -8.264 -23.142 5.628 1.00 0.18 H HETATM 1103 H45 ALA A 1 -7.065 -21.236 5.825 1.00 0.05 H HETATM 1104 H46 ALA A 1 -7.281 -20.192 7.271 1.00 0.05 H HETATM 1105 H43 ALA A 1 -5.070 -21.170 7.304 1.00 0.03 H HETATM 1106 H44 ALA A 1 -6.059 -21.873 8.629 1.00 0.03 H HETATM 1107 H42 ALA A 1 -6.543 -23.786 6.907 1.00 0.08 H HETATM 1108 H41 ALA A 1 -4.385 -23.440 8.774 1.00 0.19 H HETATM 1109 CB ALA A 1 -2.177 -25.571 8.675 1.00 -0.01 C HETATM 1110 CG ALA A 1 -1.687 -26.172 7.369 1.00 -0.04 C HETATM 1111 CD ALA A 1 -0.273 -25.721 7.043 1.00 -0.01 C HETATM 1112 CE ALA A 1 0.759 -26.511 7.833 1.00 -0.04 C HETATM 1113 NZ ALA A 1 2.074 -25.813 7.882 1.00 0.22 N HETATM 1114 H38 ALA A 1 2.728 -26.366 8.412 1.00 0.20 H HETATM 1115 H39 ALA A 1 1.961 -24.913 8.322 1.00 0.20 H HETATM 1116 H40 ALA A 1 2.423 -25.687 6.945 1.00 0.20 H HETATM 1117 H36 ALA A 1 0.895 -27.493 7.357 1.00 0.08 H HETATM 1118 H37 ALA A 1 0.391 -26.649 8.860 1.00 0.08 H HETATM 1119 H34 ALA A 1 -0.172 -24.654 7.290 1.00 0.03 H HETATM 1120 H35 ALA A 1 -0.090 -25.868 5.968 1.00 0.03 H HETATM 1121 H32 ALA A 1 -2.358 -25.857 6.557 1.00 0.03 H HETATM 1122 H33 ALA A 1 -1.702 -27.269 7.453 1.00 0.03 H HETATM 1123 H30 ALA A 1 -1.570 -25.981 9.496 1.00 0.03 H HETATM 1124 H31 ALA A 1 -2.042 -24.480 8.628 1.00 0.03 H HETATM 1125 H29 ALA A 1 -3.913 -25.410 9.937 1.00 0.08 H HETATM 1126 H28 ALA A 1 -3.100 -27.923 8.918 1.00 0.19 H HETATM 1127 CB ALA A 1 -4.442 -29.822 10.659 1.00 0.09 C HETATM 1128 OG1 ALA A 1 -3.028 -29.646 10.522 1.00 -0.39 O HETATM 1129 H24 ALA A 1 -2.594 -29.953 11.309 1.00 0.21 H HETATM 1130 CG2 ALA A 1 -4.752 -31.288 10.922 1.00 -0.03 C HETATM 1131 H25 ALA A 1 -4.228 -31.616 11.832 1.00 0.03 H HETATM 1132 H26 ALA A 1 -4.416 -31.893 10.067 1.00 0.03 H HETATM 1133 H27 ALA A 1 -5.836 -31.415 11.057 1.00 0.03 H HETATM 1134 H23 ALA A 1 -4.793 -29.228 11.515 1.00 0.06 H HETATM 1135 H22 ALA A 1 -6.221 -29.614 9.454 1.00 0.08 H HETATM 1136 H21 ALA A 1 -3.707 -29.633 7.859 1.00 0.19 H HETATM 1137 CB ALA A 1 -5.210 -30.899 5.025 1.00 -0.01 C HETATM 1138 CG ALA A 1 -6.664 -31.316 4.873 1.00 -0.02 C HETATM 1139 CD ALA A 1 -7.179 -31.042 3.469 1.00 0.06 C HETATM 1140 NE ALA A 1 -7.316 -29.612 3.205 1.00 -0.27 N HETATM 1141 CZ ALA A 1 -8.357 -28.888 3.600 1.00 0.29 C HETATM 1142 NH1 ALA A 1 -9.348 -29.458 4.272 1.00 -0.28 N HETATM 1143 H17 ALA A 1 -10.154 -28.894 4.577 1.00 0.26 H HETATM 1144 H18 ALA A 1 -9.311 -30.464 4.489 1.00 0.26 H HETATM 1145 NH2 ALA A 1 -8.409 -27.592 3.322 1.00 -0.28 N HETATM 1146 H19 ALA A 1 -7.641 -27.146 2.800 1.00 0.26 H HETATM 1147 H20 ALA A 1 -9.217 -27.032 3.628 1.00 0.26 H HETATM 1148 H16 ALA A 1 -6.564 -29.139 2.684 1.00 0.26 H HETATM 1149 H14 ALA A 1 -8.163 -31.520 3.352 1.00 0.07 H HETATM 1150 H15 ALA A 1 -6.474 -31.471 2.742 1.00 0.07 H HETATM 1151 H12 ALA A 1 -7.275 -30.753 5.594 1.00 0.03 H HETATM 1152 H13 ALA A 1 -6.751 -32.392 5.082 1.00 0.03 H HETATM 1153 H10 ALA A 1 -4.650 -31.265 4.152 1.00 0.03 H HETATM 1154 H11 ALA A 1 -5.165 -29.800 5.055 1.00 0.03 H HETATM 1155 H9 ALA A 1 -3.495 -31.115 6.305 1.00 0.08 H HETATM 1156 H8 ALA A 1 -5.439 -33.376 6.431 1.00 0.19 H HETATM 1157 CB ALA A 1 -3.627 -35.650 7.541 1.00 -0.00 C HETATM 1158 H5 ALA A 1 -4.420 -35.149 8.116 1.00 0.03 H HETATM 1159 H6 ALA A 1 -2.651 -35.439 8.002 1.00 0.03 H HETATM 1160 H7 ALA A 1 -3.805 -36.735 7.540 1.00 0.03 H HETATM 1161 H4 ALA A 1 -4.606 -35.378 5.657 1.00 0.11 H HETATM 1162 H1 ALA A 1 -2.723 -36.785 5.360 1.00 0.20 H HETATM 1163 H2 ALA A 1 -1.688 -35.557 5.721 1.00 0.20 H HETATM 1164 H3 ALA A 1 -2.633 -35.468 4.377 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 130 123 131 140 CONECT 131 130 132 134 CONECT 132 131 133 141 CONECT 133 132 CONECT 134 131 135 CONECT 135 134 136 CONECT 136 135 137 138 139 CONECT 137 136 CONECT 138 136 CONECT 139 136 CONECT 140 130 CONECT 141 132 142 151 CONECT 142 141 143 145 CONECT 143 142 144 152 CONECT 144 143 CONECT 145 142 146 CONECT 146 145 147 CONECT 147 146 148 149 150 CONECT 148 147 CONECT 149 147 CONECT 150 147 CONECT 151 141 CONECT 152 143 153 162 CONECT 153 152 154 156 CONECT 154 153 155 163 CONECT 155 154 CONECT 156 153 157 CONECT 157 156 158 CONECT 158 157 159 160 161 CONECT 159 158 CONECT 160 158 CONECT 161 158 CONECT 162 152 CONECT 163 154 164 173 CONECT 164 163 165 167 CONECT 165 164 166 174 CONECT 166 165 CONECT 167 164 168 CONECT 168 167 169 CONECT 169 168 170 171 172 CONECT 170 169 CONECT 171 169 CONECT 172 169 CONECT 173 163 CONECT 866 867 1162 1163 1164 CONECT 867 866 868 1157 1161 CONECT 868 867 869 870 CONECT 869 868 CONECT 870 868 871 1156 CONECT 871 870 872 1137 1155 CONECT 872 871 873 874 CONECT 873 872 CONECT 874 872 875 1136 CONECT 875 874 876 1127 1135 CONECT 876 875 877 878 CONECT 877 876 CONECT 878 876 879 1126 CONECT 879 878 880 1109 1125 CONECT 880 879 881 882 CONECT 881 880 CONECT 882 880 883 1108 CONECT 883 882 884 1096 1107 CONECT 884 883 885 886 CONECT 885 884 CONECT 886 884 887 1095 CONECT 887 886 888 1086 1094 CONECT 888 887 889 890 CONECT 889 888 CONECT 890 888 891 1085 CONECT 891 890 892 1080 1084 CONECT 892 891 893 894 CONECT 893 892 CONECT 894 892 895 1079 CONECT 895 894 896 1060 1078 CONECT 896 895 897 898 CONECT 897 896 CONECT 898 896 899 1059 CONECT 899 898 900 925 1058 CONECT 900 899 901 923 924 CONECT 901 900 902 921 922 CONECT 902 901 903 919 920 CONECT 903 902 904 917 918 CONECT 904 903 905 909 913 CONECT 905 904 906 907 908 CONECT 906 905 CONECT 907 905 CONECT 908 905 CONECT 909 904 910 911 912 CONECT 910 909 CONECT 911 909 CONECT 912 909 CONECT 913 904 914 915 916 CONECT 914 913 CONECT 915 913 CONECT 916 913 CONECT 917 903 CONECT 918 903 CONECT 919 902 CONECT 920 902 CONECT 921 901 CONECT 922 901 CONECT 923 900 CONECT 924 900 CONECT 925 899 926 927 CONECT 926 925 CONECT 927 925 928 1057 CONECT 928 927 929 1051 1056 CONECT 929 928 930 931 CONECT 930 929 CONECT 931 929 932 1050 CONECT 932 931 933 1041 1049 CONECT 933 932 934 935 CONECT 934 933 CONECT 935 933 936 1040 CONECT 936 935 937 1038 1039 CONECT 937 936 938 939 CONECT 938 937 CONECT 939 937 940 1037 CONECT 940 939 941 1035 1036 CONECT 941 940 942 943 CONECT 942 941 CONECT 943 941 944 1034 CONECT 944 943 945 1017 1033 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 948 1016 CONECT 948 947 949 1011 1015 CONECT 949 948 950 951 CONECT 950 949 CONECT 951 949 952 1003 CONECT 952 951 953 1001 1010 CONECT 953 952 954 955 CONECT 954 953 CONECT 955 953 956 1000 CONECT 956 955 957 981 999 CONECT 957 956 958 959 CONECT 958 957 CONECT 959 957 960 980 CONECT 960 959 961 964 979 CONECT 961 960 962 963 CONECT 962 961 CONECT 963 961 CONECT 964 960 965 977 978 CONECT 965 964 966 970 CONECT 966 965 967 976 CONECT 967 966 968 975 CONECT 968 967 969 973 CONECT 969 968 970 972 CONECT 970 965 969 971 CONECT 971 970 CONECT 972 969 CONECT 973 968 974 CONECT 974 973 CONECT 975 967 CONECT 976 966 CONECT 977 964 CONECT 978 964 CONECT 979 960 CONECT 980 959 CONECT 981 956 982 997 998 CONECT 982 981 983 995 996 CONECT 983 982 984 993 994 CONECT 984 983 985 992 CONECT 985 984 986 989 CONECT 986 985 987 988 CONECT 987 986 CONECT 988 986 CONECT 989 985 990 991 CONECT 990 989 CONECT 991 989 CONECT 992 984 CONECT 993 983 CONECT 994 983 CONECT 995 982 CONECT 996 982 CONECT 997 981 CONECT 998 981 CONECT 999 956 CONECT 1000 955 CONECT 1001 952 1002 1008 1009 CONECT 1002 1001 1003 1006 1007 CONECT 1003 951 1002 1004 1005 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1002 CONECT 1007 1002 CONECT 1008 1001 CONECT 1009 1001 CONECT 1010 952 CONECT 1011 948 1012 1013 1014 CONECT 1012 1011 CONECT 1013 1011 CONECT 1014 1011 CONECT 1015 948 CONECT 1016 947 CONECT 1017 944 1018 1031 1032 CONECT 1018 1017 1019 1029 1030 CONECT 1019 1018 1020 1027 1028 CONECT 1020 1019 1021 1025 1026 CONECT 1021 1020 1022 1023 1024 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1021 CONECT 1025 1020 CONECT 1026 1020 CONECT 1027 1019 CONECT 1028 1019 CONECT 1029 1018 CONECT 1030 1018 CONECT 1031 1017 CONECT 1032 1017 CONECT 1033 944 CONECT 1034 943 CONECT 1035 940 CONECT 1036 940 CONECT 1037 939 CONECT 1038 936 CONECT 1039 936 CONECT 1040 935 CONECT 1041 932 1042 1044 1048 CONECT 1042 1041 1043 CONECT 1043 1042 CONECT 1044 1041 1045 1046 1047 CONECT 1045 1044 CONECT 1046 1044 CONECT 1047 1044 CONECT 1048 1041 CONECT 1049 932 CONECT 1050 931 CONECT 1051 928 1052 1054 1055 CONECT 1052 1051 1053 CONECT 1053 1052 CONECT 1054 1051 CONECT 1055 1051 CONECT 1056 928 CONECT 1057 927 CONECT 1058 899 CONECT 1059 898 CONECT 1060 895 1061 1076 1077 CONECT 1061 1060 1062 1074 1075 CONECT 1062 1061 1063 1072 1073 CONECT 1063 1062 1064 1071 CONECT 1064 1063 1065 1068 CONECT 1065 1064 1066 1067 CONECT 1066 1065 CONECT 1067 1065 CONECT 1068 1064 1069 1070 CONECT 1069 1068 CONECT 1070 1068 CONECT 1071 1063 CONECT 1072 1062 CONECT 1073 1062 CONECT 1074 1061 CONECT 1075 1061 CONECT 1076 1060 CONECT 1077 1060 CONECT 1078 895 CONECT 1079 894 CONECT 1080 891 1081 1082 1083 CONECT 1081 1080 CONECT 1082 1080 CONECT 1083 1080 CONECT 1084 891 CONECT 1085 890 CONECT 1086 887 1087 1089 1093 CONECT 1087 1086 1088 CONECT 1088 1087 CONECT 1089 1086 1090 1091 1092 CONECT 1090 1089 CONECT 1091 1089 CONECT 1092 1089 CONECT 1093 1086 CONECT 1094 887 CONECT 1095 886 CONECT 1096 883 1097 1105 1106 CONECT 1097 1096 1098 1103 1104 CONECT 1098 1097 1099 1100 CONECT 1099 1098 CONECT 1100 1098 1101 1102 CONECT 1101 1100 CONECT 1102 1100 CONECT 1103 1097 CONECT 1104 1097 CONECT 1105 1096 CONECT 1106 1096 CONECT 1107 883 CONECT 1108 882 CONECT 1109 879 1110 1123 1124 CONECT 1110 1109 1111 1121 1122 CONECT 1111 1110 1112 1119 1120 CONECT 1112 1111 1113 1117 1118 CONECT 1113 1112 1114 1115 1116 CONECT 1114 1113 CONECT 1115 1113 CONECT 1116 1113 CONECT 1117 1112 CONECT 1118 1112 CONECT 1119 1111 CONECT 1120 1111 CONECT 1121 1110 CONECT 1122 1110 CONECT 1123 1109 CONECT 1124 1109 CONECT 1125 879 CONECT 1126 878 CONECT 1127 875 1128 1130 1134 CONECT 1128 1127 1129 CONECT 1129 1128 CONECT 1130 1127 1131 1132 1133 CONECT 1131 1130 CONECT 1132 1130 CONECT 1133 1130 CONECT 1134 1127 CONECT 1135 875 CONECT 1136 874 CONECT 1137 871 1138 1153 1154 CONECT 1138 1137 1139 1151 1152 CONECT 1139 1138 1140 1149 1150 CONECT 1140 1139 1141 1148 CONECT 1141 1140 1142 1145 CONECT 1142 1141 1143 1144 CONECT 1143 1142 CONECT 1144 1142 CONECT 1145 1141 1146 1147 CONECT 1146 1145 CONECT 1147 1145 CONECT 1148 1140 CONECT 1149 1139 CONECT 1150 1139 CONECT 1151 1138 CONECT 1152 1138 CONECT 1153 1137 CONECT 1154 1137 CONECT 1155 871 CONECT 1156 870 CONECT 1157 867 1158 1159 1160 CONECT 1158 1157 CONECT 1159 1157 CONECT 1160 1157 CONECT 1161 867 CONECT 1162 866 CONECT 1163 866 CONECT 1164 866 MASTER 0 0 0 0 0 0 0 0 1163 1 347 7 END
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Protein Sequence Similarity
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RCSB PDB
PDBbind
59aa, >3FDT_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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PDBbind
18-mer
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RCSB PDB
PDBbind
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PDBbind
18-mer
1ov3
RCSB PDB
PDBbind
18-mer
1pdq
RCSB PDB
PDBbind
18-mer
2df6
RCSB PDB
PDBbind
18-mer
2emt
RCSB PDB
PDBbind
18-mer
2h2d
RCSB PDB
PDBbind
18-mer
2kbr
RCSB PDB
PDBbind
18-mer
2knh
RCSB PDB
PDBbind
18-mer
2kzu
RCSB PDB
PDBbind
18-mer
2l8j
RCSB PDB
PDBbind
18-mer
2lp8
RCSB PDB
PDBbind
18-mer
2vpg
RCSB PDB
PDBbind
18-mer
2xs8
RCSB PDB
PDBbind
18-mer
2y9q
RCSB PDB
PDBbind
18-mer
3c3q
RCSB PDB
PDBbind
18-mer
3cfv
RCSB PDB
PDBbind
18-mer
3isw
RCSB PDB
PDBbind
18-mer
3iux
RCSB PDB
PDBbind
18-mer
3kl8
RCSB PDB
PDBbind
18-mer
3l6x
RCSB PDB
PDBbind
18-mer
3pdh
RCSB PDB
PDBbind
18-mer
3rtx
RCSB PDB
PDBbind
18-mer
3uat
RCSB PDB
PDBbind
18-mer
3v31
RCSB PDB
PDBbind
18-mer
3v43
RCSB PDB
PDBbind
18-mer
4aom
RCSB PDB
PDBbind
18-mer
4ejf
RCSB PDB
PDBbind
18-mer
4glr
RCSB PDB
PDBbind
18-mer
4jk5
RCSB PDB
PDBbind
18-mer
4jk6
RCSB PDB
PDBbind
18-mer
4mzl
RCSB PDB
PDBbind
18-mer
4pn1
RCSB PDB
PDBbind
18-mer
4pz8
RCSB PDB
PDBbind
18-mer
4ris
RCSB PDB
PDBbind
18-mer
4rqi
RCSB PDB
PDBbind
18-mer
4wrq
RCSB PDB
PDBbind
18-mer
4xh2
RCSB PDB
PDBbind
18-mer
5b4w
RCSB PDB
PDBbind
18-mer
5e2v
RCSB PDB
PDBbind
18-mer
5e2w
RCSB PDB
PDBbind
18-mer
5jek
RCSB PDB
PDBbind
18-mer
5mk1
RCSB PDB
PDBbind
18-mer
5mk3
RCSB PDB
PDBbind
18-mer
5ods
RCSB PDB
PDBbind
18-mer
5sve
RCSB PDB
PDBbind
18-mer
5t90
RCSB PDB
PDBbind
18-mer
5uwi
RCSB PDB
PDBbind
18-mer
5v3r
RCSB PDB
PDBbind
18-mer
5wa1
RCSB PDB
PDBbind
18-mer
5xyf
RCSB PDB
PDBbind
18-mer
5yc2
RCSB PDB
PDBbind
18-mer
5yv5
RCSB PDB
PDBbind
18-mer
6bhd
RCSB PDB
PDBbind
18-mer
6bhe
RCSB PDB
PDBbind
18-mer
6bhh
RCSB PDB
PDBbind
18-mer
6h41
RCSB PDB
PDBbind
18-mer
6jjz
RCSB PDB
PDBbind
18-mer
6iqg
RCSB PDB
PDBbind
18-mer
6esa
RCSB PDB
PDBbind
18-mer
6erw
RCSB PDB
PDBbind
18-mer
6erv
RCSB PDB
PDBbind
18-mer
6eru
RCSB PDB
PDBbind
18-mer
6em7
RCSB PDB
PDBbind
18-mer
6em6
RCSB PDB
PDBbind
18-mer
6eh2
RCSB PDB
PDBbind
18-mer
6egw
RCSB PDB
PDBbind
18-mer
5y53
RCSB PDB
PDBbind
18-mer
5szc
RCSB PDB
PDBbind
18-mer
5szb
RCSB PDB
PDBbind
18-mer
5ous
RCSB PDB
PDBbind
18-mer
5oua
RCSB PDB
PDBbind
18-mer
5ol3
RCSB PDB
PDBbind
18-mer
5ok3
RCSB PDB
PDBbind
18-mer
5o0e
RCSB PDB
PDBbind
18-mer
5nw8
RCSB PDB
PDBbind
18-mer
6ema
RCSB PDB
PDBbind
18-mer
6sen
RCSB PDB
PDBbind
18-mer
6seo
RCSB PDB
PDBbind
18-mer
Entry Information
PDB ID
2rvn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
phos-NCD, comprising amino acids 1-80 of HP1alpha
Ligand Name
18-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.17uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Sci Rep Vol. 6: pp. 22527-22527
Ligand Properties
Formula
C
8
6
H
1
5
8
N
3
1
O
2
5
Molecular Weight
2026.370
Exact Mass
2025.200
No. of atoms
300
No. of bonds
301
Polar Surface Area
948.4
LOGP Value
-6.74 (
Computed with XLOGP3
)
-10.70 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 25
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 89
No. of Nitrogen and Oxygen Atoms: 56
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CCC[NH+]=C(N)N)C)CCCC[NH3+])[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH3+])CCC(=O)N)C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C86H151N31O25/c1-44(89)68(126)105-57(25-18-37-99-86(95)96)75(133)115-67(49(6)121)81(139)110-54(21-11-14-34-88)71(129)108-58(31-32-62(90)123)76(134)114-66(48(5)120)80(138)102-45(2)69(127)106-55(23-16-35-97-84(91)92)72(130)107-53(22-12-15-39-117(7,8)9)74(132)112-60(43-118)77(135)113-65(47(4)119)79(137)101-41-63(124)100-42-64(125)104-52(20-10-13-33-87)70(128)103-46(3)82(140)116-38-19-26-61(116)78(136)109-56(24-17-36-98-85(93)94)73(131)111-59(83(141)142)40-50-27-29-51(122)30-28-50/h27-30,44-49,52-61,65-67,118-121H,10-26,31-43,87-89H2,1-9H3,(H31-,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,109,110,111,112,113,114,115,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,141,142)/p+7/t44-,45-,46-,47+,48+,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,65-,66-,67-/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):
P84244
Q61686
Entrez Gene ID
NCBI Entrez Gene ID:
15078
15081
12419
ASD
Information of known allosteric effects of PDB entries
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