Browse entries in the PDBbind-CN Database
HEADER 6AT0_COMPLEX COMPND 6AT0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 2 GLU GLU SEQRES 1 A 50 ALA VAL GLU LYS ILE ILE ASP ARG ARG VAL ARG LYS GLY SEQRES 2 A 50 MET VAL GLU TYR TYR LEU LYS TRP LYS GLY TYR PRO GLU SEQRES 3 A 50 THR GLU ASN THR TRP GLU PRO GLU ASN ASN LEU ASP CYS SEQRES 4 A 50 GLN ASP LEU ILE GLN GLN TYR GLU ALA SER ARG HET GLN A 93 110 ATOM 1 N GLU A 22 -23.779 -16.847 9.415 1.00 54.59 N ATOM 2 CA GLU A 22 -22.536 -16.397 10.033 1.00 35.83 C ATOM 3 C GLU A 22 -21.742 -15.441 9.143 1.00 35.38 C ATOM 4 O GLU A 22 -20.509 -15.504 9.098 1.00 30.37 O ATOM 5 CB GLU A 22 -21.667 -17.590 10.441 1.00 43.89 C ATOM 6 CG GLU A 22 -21.790 -18.800 9.529 1.00 67.70 C ATOM 7 CD GLU A 22 -20.901 -19.951 9.968 1.00 65.46 C ATOM 8 OE1 GLU A 22 -19.728 -19.989 9.532 1.00 53.81 O ATOM 9 OE2 GLU A 22 -21.378 -20.806 10.749 1.00 70.26 O ATOM 10 HN3 GLU A 22 -23.563 -17.345 8.528 1.00 0.00 H ATOM 11 HN2 GLU A 22 -24.383 -16.024 9.215 1.00 0.00 H ATOM 12 HN1 GLU A 22 -24.274 -17.492 10.064 1.00 0.00 H ATOM 13 N GLU A 23 -22.457 -14.564 8.442 1.00 32.86 N ATOM 14 CA GLU A 23 -21.838 -13.457 7.713 1.00 27.78 C ATOM 15 C GLU A 23 -21.854 -12.201 8.578 1.00 31.80 C ATOM 16 O GLU A 23 -22.832 -11.934 9.281 1.00 31.28 O ATOM 17 CB GLU A 23 -22.590 -13.178 6.415 1.00 38.62 C ATOM 18 CG GLU A 23 -22.296 -14.154 5.291 1.00 42.24 C ATOM 19 CD GLU A 23 -23.244 -13.974 4.123 1.00 66.11 C ATOM 20 OE1 GLU A 23 -24.454 -14.229 4.300 1.00 69.27 O ATOM 21 OE2 GLU A 23 -22.785 -13.566 3.035 1.00 67.07 O ATOM 22 H GLU A 23 -23.491 -14.669 8.412 1.00 0.00 H TER 23 GLU A 23 ATOM 24 N ALA A 25 -20.327 -7.897 9.015 1.00 22.04 N ATOM 25 CA ALA A 25 -19.799 -6.690 8.380 1.00 18.45 C ATOM 26 C ALA A 25 -18.284 -6.539 8.555 1.00 21.45 C ATOM 27 O ALA A 25 -17.751 -6.668 9.667 1.00 20.57 O ATOM 28 CB ALA A 25 -20.531 -5.454 8.901 1.00 22.63 C ATOM 29 HN3 ALA A 25 -20.127 -7.867 10.035 1.00 0.00 H ATOM 30 HN2 ALA A 25 -19.874 -8.734 8.596 1.00 0.00 H ATOM 31 HN1 ALA A 25 -21.355 -7.946 8.864 1.00 0.00 H ATOM 32 N VAL A 26 -17.600 -6.258 7.446 1.00 17.15 N ATOM 33 CA VAL A 26 -16.151 -6.078 7.424 1.00 16.09 C ATOM 34 C VAL A 26 -15.848 -4.588 7.415 1.00 20.02 C ATOM 35 O VAL A 26 -16.404 -3.838 6.600 1.00 20.65 O ATOM 36 CB VAL A 26 -15.530 -6.756 6.191 1.00 16.76 C ATOM 37 CG1 VAL A 26 -14.007 -6.546 6.152 1.00 18.81 C ATOM 38 CG2 VAL A 26 -15.878 -8.241 6.180 1.00 19.59 C ATOM 39 H VAL A 26 -18.124 -6.162 6.553 1.00 0.00 H ATOM 40 N GLU A 27 -14.963 -4.160 8.319 1.00 17.92 N ATOM 41 CA GLU A 27 -14.511 -2.772 8.346 1.00 19.00 C ATOM 42 C GLU A 27 -13.394 -2.517 7.333 1.00 17.89 C ATOM 43 O GLU A 27 -13.482 -1.579 6.528 1.00 19.37 O ATOM 44 CB GLU A 27 -14.064 -2.404 9.761 1.00 18.49 C ATOM 45 CG GLU A 27 -13.590 -0.965 9.903 1.00 20.24 C ATOM 46 CD GLU A 27 -13.153 -0.635 11.320 1.00 35.76 C ATOM 47 OE1 GLU A 27 -13.675 -1.253 12.274 1.00 24.83 O ATOM 48 OE2 GLU A 27 -12.275 0.238 11.479 1.00 34.50 O ATOM 49 H GLU A 27 -14.587 -4.831 9.020 1.00 0.00 H ATOM 50 N LYS A 28 -12.340 -3.339 7.348 1.00 17.75 N ATOM 51 CA LYS A 28 -11.211 -3.132 6.447 1.00 18.09 C ATOM 52 C LYS A 28 -10.380 -4.404 6.346 1.00 18.01 C ATOM 53 O LYS A 28 -10.408 -5.268 7.231 1.00 17.75 O ATOM 54 CB LYS A 28 -10.314 -1.975 6.909 1.00 20.59 C ATOM 55 CG LYS A 28 -9.689 -2.195 8.276 1.00 25.50 C ATOM 56 CD LYS A 28 -8.843 -0.999 8.724 1.00 34.46 C ATOM 57 CE LYS A 28 -8.533 -1.092 10.214 1.00 39.99 C ATOM 58 NZ LYS A 28 -7.493 -0.115 10.651 1.00 40.02 N ATOM 59 HZ1 LYS A 28 -6.610 -0.294 10.131 1.00 0.00 H ATOM 60 HZ2 LYS A 28 -7.823 0.852 10.454 1.00 0.00 H ATOM 61 HZ3 LYS A 28 -7.324 -0.224 11.671 1.00 0.00 H ATOM 62 H LYS A 28 -12.324 -4.139 8.012 1.00 0.00 H ATOM 63 N ILE A 29 -9.618 -4.488 5.257 1.00 17.70 N ATOM 64 CA ILE A 29 -8.625 -5.542 5.062 1.00 16.01 C ATOM 65 C ILE A 29 -7.275 -5.042 5.572 1.00 20.25 C ATOM 66 O ILE A 29 -6.763 -4.019 5.106 1.00 20.45 O ATOM 67 CB ILE A 29 -8.533 -5.942 3.584 1.00 17.46 C ATOM 68 CG1 ILE A 29 -9.876 -6.517 3.106 1.00 17.18 C ATOM 69 CG2 ILE A 29 -7.387 -6.943 3.375 1.00 18.01 C ATOM 70 CD1 ILE A 29 -9.912 -6.796 1.609 1.00 17.59 C ATOM 71 H ILE A 29 -9.735 -3.772 4.512 1.00 0.00 H ATOM 72 N ILE A 30 -6.703 -5.782 6.524 1.00 15.90 N ATOM 73 CA ILE A 30 -5.435 -5.430 7.161 1.00 19.16 C ATOM 74 C ILE A 30 -4.238 -5.975 6.392 1.00 22.95 C ATOM 75 O ILE A 30 -3.203 -5.310 6.293 1.00 21.72 O ATOM 76 CB ILE A 30 -5.440 -5.945 8.615 1.00 21.34 C ATOM 77 CG1 ILE A 30 -6.621 -5.359 9.384 1.00 27.75 C ATOM 78 CG2 ILE A 30 -4.123 -5.614 9.310 1.00 24.63 C ATOM 79 CD1 ILE A 30 -6.583 -3.866 9.459 1.00 30.24 C ATOM 80 H ILE A 30 -7.183 -6.653 6.828 1.00 0.00 H ATOM 81 N ASP A 31 -4.344 -7.189 5.857 1.00 17.45 N ATOM 82 CA ASP A 31 -3.197 -7.874 5.276 1.00 22.06 C ATOM 83 C ASP A 31 -3.698 -9.002 4.388 1.00 19.57 C ATOM 84 O ASP A 31 -4.877 -9.359 4.409 1.00 19.62 O ATOM 85 CB ASP A 31 -2.286 -8.419 6.385 1.00 22.50 C ATOM 86 CG ASP A 31 -0.877 -8.710 5.904 1.00 33.26 C ATOM 87 OD1 ASP A 31 -0.566 -8.423 4.733 1.00 27.73 O ATOM 88 OD2 ASP A 31 -0.074 -9.226 6.710 1.00 41.20 O ATOM 89 H ASP A 31 -5.271 -7.661 5.854 1.00 0.00 H ATOM 90 N ARG A 32 -2.772 -9.574 3.618 1.00 22.15 N ATOM 91 CA ARG A 32 -3.064 -10.662 2.697 1.00 19.91 C ATOM 92 C ARG A 32 -1.915 -11.659 2.751 1.00 18.94 C ATOM 93 O ARG A 32 -0.752 -11.270 2.903 1.00 25.02 O ATOM 94 CB ARG A 32 -3.207 -10.114 1.272 1.00 23.99 C ATOM 95 CG ARG A 32 -3.395 -11.142 0.177 1.00 21.50 C ATOM 96 CD ARG A 32 -3.149 -10.478 -1.179 1.00 31.19 C ATOM 97 NE ARG A 32 -3.334 -11.386 -2.307 1.00 45.79 N ATOM 98 CZ ARG A 32 -2.406 -12.227 -2.754 1.00 45.81 C ATOM 99 NH1 ARG A 32 -1.219 -12.287 -2.164 1.00 51.19 N ATOM 100 NH2 ARG A 32 -2.668 -13.012 -3.791 1.00 51.15 N ATOM 101 HE ARG A 32 -4.253 -11.374 -2.794 1.00 0.00 H ATOM 102 HH12 ARG A 32 -0.496 -12.946 -2.517 1.00 0.00 H ATOM 103 HH11 ARG A 32 -1.012 -11.675 -1.349 1.00 0.00 H ATOM 104 HH22 ARG A 32 -1.943 -13.670 -4.141 1.00 0.00 H ATOM 105 HH21 ARG A 32 -3.598 -12.969 -4.254 1.00 0.00 H ATOM 106 H ARG A 32 -1.794 -9.226 3.679 1.00 0.00 H ATOM 107 N ARG A 33 -2.248 -12.943 2.646 1.00 18.05 N ATOM 108 CA ARG A 33 -1.232 -13.984 2.609 1.00 21.77 C ATOM 109 C ARG A 33 -1.732 -15.133 1.749 1.00 22.83 C ATOM 110 O ARG A 33 -2.919 -15.224 1.420 1.00 20.08 O ATOM 111 CB ARG A 33 -0.904 -14.494 4.017 1.00 21.93 C ATOM 112 CG ARG A 33 -1.958 -15.414 4.612 1.00 23.19 C ATOM 113 CD ARG A 33 -1.666 -15.746 6.075 1.00 20.46 C ATOM 114 NE ARG A 33 -2.691 -16.617 6.647 1.00 20.73 N ATOM 115 CZ ARG A 33 -2.740 -16.998 7.923 1.00 21.11 C ATOM 116 NH1 ARG A 33 -1.818 -16.588 8.783 1.00 29.49 N ATOM 117 NH2 ARG A 33 -3.724 -17.783 8.339 1.00 27.62 N ATOM 118 HE ARG A 33 -3.437 -16.965 6.011 1.00 0.00 H ATOM 119 HH12 ARG A 33 -1.863 -16.890 9.777 1.00 0.00 H ATOM 120 HH11 ARG A 33 -1.049 -15.965 8.463 1.00 0.00 H ATOM 121 HH22 ARG A 33 -3.765 -18.082 9.334 1.00 0.00 H ATOM 122 HH21 ARG A 33 -4.455 -18.100 7.670 1.00 0.00 H ATOM 123 H ARG A 33 -3.252 -13.207 2.589 1.00 0.00 H ATOM 124 N VAL A 34 -0.804 -16.006 1.369 1.00 23.51 N ATOM 125 CA VAL A 34 -1.131 -17.289 0.764 1.00 21.76 C ATOM 126 C VAL A 34 -0.764 -18.375 1.760 1.00 19.96 C ATOM 127 O VAL A 34 0.350 -18.381 2.300 1.00 24.13 O ATOM 128 CB VAL A 34 -0.418 -17.492 -0.583 1.00 20.87 C ATOM 129 CG1 VAL A 34 -0.679 -18.904 -1.119 1.00 23.61 C ATOM 130 CG2 VAL A 34 -0.890 -16.451 -1.577 1.00 26.65 C ATOM 131 H VAL A 34 0.197 -15.762 1.510 1.00 0.00 H ATOM 132 N ARG A 35 -1.712 -19.269 2.030 1.00 19.01 N ATOM 133 CA ARG A 35 -1.501 -20.388 2.933 1.00 24.03 C ATOM 134 C ARG A 35 -2.114 -21.628 2.305 1.00 21.86 C ATOM 135 O ARG A 35 -3.284 -21.612 1.910 1.00 21.63 O ATOM 136 CB ARG A 35 -2.137 -20.121 4.301 1.00 25.54 C ATOM 137 CG ARG A 35 -1.793 -21.174 5.331 1.00 28.89 C ATOM 138 CD ARG A 35 -2.417 -20.867 6.679 1.00 33.18 C ATOM 139 NE ARG A 35 -3.874 -20.818 6.608 1.00 46.14 N ATOM 140 CZ ARG A 35 -4.660 -21.888 6.652 1.00 57.69 C ATOM 141 NH1 ARG A 35 -4.132 -23.100 6.763 1.00 52.76 N ATOM 142 NH2 ARG A 35 -5.977 -21.747 6.583 1.00 54.86 N ATOM 143 HE ARG A 35 -4.326 -19.886 6.517 1.00 0.00 H ATOM 144 HH12 ARG A 35 -4.750 -23.935 6.797 1.00 0.00 H ATOM 145 HH11 ARG A 35 -3.100 -23.215 6.816 1.00 0.00 H ATOM 146 HH22 ARG A 35 -6.592 -22.585 6.617 1.00 0.00 H ATOM 147 HH21 ARG A 35 -6.395 -20.799 6.494 1.00 0.00 H ATOM 148 H ARG A 35 -2.642 -19.163 1.576 1.00 0.00 H ATOM 149 N LYS A 36 -1.321 -22.694 2.205 1.00 22.38 N ATOM 150 CA LYS A 36 -1.765 -23.933 1.568 1.00 25.28 C ATOM 151 C LYS A 36 -2.340 -23.668 0.180 1.00 20.56 C ATOM 152 O LYS A 36 -3.340 -24.262 -0.233 1.00 27.45 O ATOM 153 CB LYS A 36 -2.734 -24.711 2.456 1.00 28.25 C ATOM 154 CG LYS A 36 -2.133 -25.107 3.792 1.00 35.33 C ATOM 155 CD LYS A 36 -3.048 -26.051 4.548 1.00 34.28 C ATOM 156 CE LYS A 36 -2.421 -26.498 5.856 1.00 50.62 C ATOM 157 NZ LYS A 36 -3.364 -27.321 6.669 1.00 51.33 N ATOM 158 HZ1 LYS A 36 -4.212 -26.760 6.887 1.00 0.00 H ATOM 159 HZ2 LYS A 36 -3.636 -28.168 6.130 1.00 0.00 H ATOM 160 HZ3 LYS A 36 -2.898 -27.607 7.554 1.00 0.00 H ATOM 161 H LYS A 36 -0.357 -22.643 2.592 1.00 0.00 H ATOM 162 N GLY A 37 -1.701 -22.750 -0.543 1.00 21.11 N ATOM 163 CA GLY A 37 -2.092 -22.422 -1.899 1.00 21.97 C ATOM 164 C GLY A 37 -3.355 -21.607 -2.045 1.00 25.47 C ATOM 165 O GLY A 37 -3.845 -21.455 -3.169 1.00 25.54 O ATOM 166 H GLY A 37 -0.893 -22.251 -0.119 1.00 0.00 H ATOM 167 N MET A 38 -3.891 -21.049 -0.960 1.00 22.13 N ATOM 168 CA MET A 38 -5.145 -20.307 -1.011 1.00 21.77 C ATOM 169 C MET A 38 -4.944 -18.919 -0.425 1.00 23.43 C ATOM 170 O MET A 38 -4.354 -18.778 0.651 1.00 21.27 O ATOM 171 CB MET A 38 -6.238 -21.041 -0.230 1.00 26.96 C ATOM 172 CG MET A 38 -6.390 -22.506 -0.609 1.00 53.13 C ATOM 173 SD MET A 38 -7.962 -23.205 -0.074 1.00 47.49 S ATOM 174 CE MET A 38 -9.100 -22.313 -1.133 1.00 46.24 C ATOM 175 H MET A 38 -3.400 -21.146 -0.049 1.00 0.00 H ATOM 176 N VAL A 39 -5.453 -17.902 -1.127 1.00 21.01 N ATOM 177 CA VAL A 39 -5.308 -16.516 -0.691 1.00 18.10 C ATOM 178 C VAL A 39 -6.208 -16.269 0.513 1.00 20.15 C ATOM 179 O VAL A 39 -7.388 -16.651 0.516 1.00 21.17 O ATOM 180 CB VAL A 39 -5.647 -15.551 -1.837 1.00 20.62 C ATOM 181 CG1 VAL A 39 -5.556 -14.114 -1.363 1.00 23.74 C ATOM 182 CG2 VAL A 39 -4.716 -15.780 -3.012 1.00 26.84 C ATOM 183 H VAL A 39 -5.967 -18.103 -2.009 1.00 0.00 H ATOM 184 N GLU A 40 -5.654 -15.627 1.544 1.00 18.00 N ATOM 185 CA GLU A 40 -6.398 -15.275 2.741 1.00 17.31 C ATOM 186 C GLU A 40 -6.193 -13.799 3.056 1.00 16.08 C ATOM 187 O GLU A 40 -5.133 -13.227 2.791 1.00 18.69 O ATOM 188 CB GLU A 40 -5.969 -16.135 3.942 1.00 21.04 C ATOM 189 CG GLU A 40 -6.279 -17.614 3.773 1.00 18.58 C ATOM 190 CD GLU A 40 -5.894 -18.431 4.988 1.00 29.31 C ATOM 191 OE1 GLU A 40 -5.003 -17.986 5.742 1.00 28.06 O ATOM 192 OE2 GLU A 40 -6.488 -19.513 5.187 1.00 39.43 O ATOM 193 H GLU A 40 -4.648 -15.368 1.488 1.00 0.00 H ATOM 194 N TYR A 41 -7.231 -13.175 3.607 1.00 16.81 N ATOM 195 CA TYR A 41 -7.189 -11.775 3.994 1.00 16.99 C ATOM 196 C TYR A 41 -7.401 -11.675 5.495 1.00 14.85 C ATOM 197 O TYR A 41 -8.233 -12.392 6.063 1.00 17.02 O ATOM 198 CB TYR A 41 -8.293 -10.990 3.292 1.00 15.33 C ATOM 199 CG TYR A 41 -8.061 -10.798 1.817 1.00 15.16 C ATOM 200 CD1 TYR A 41 -7.143 -9.867 1.356 1.00 18.81 C ATOM 201 CD2 TYR A 41 -8.773 -11.539 0.884 1.00 24.29 C ATOM 202 CE1 TYR A 41 -6.930 -9.688 -0.001 1.00 19.88 C ATOM 203 CE2 TYR A 41 -8.569 -11.360 -0.472 1.00 23.77 C ATOM 204 CZ TYR A 41 -7.648 -10.433 -0.897 1.00 19.32 C ATOM 205 OH TYR A 41 -7.446 -10.254 -2.250 1.00 30.31 O ATOM 206 HH TYR A 41 -6.757 -9.557 -2.390 1.00 0.00 H ATOM 207 H TYR A 41 -8.108 -13.711 3.767 1.00 0.00 H ATOM 208 N TYR A 42 -6.652 -10.781 6.135 1.00 15.87 N ATOM 209 CA TYR A 42 -6.775 -10.552 7.570 1.00 15.48 C ATOM 210 C TYR A 42 -7.739 -9.390 7.758 1.00 15.40 C ATOM 211 O TYR A 42 -7.475 -8.289 7.271 1.00 18.35 O ATOM 212 CB TYR A 42 -5.403 -10.199 8.145 1.00 17.47 C ATOM 213 CG TYR A 42 -5.308 -10.225 9.658 1.00 17.57 C ATOM 214 CD1 TYR A 42 -5.650 -11.361 10.380 1.00 21.53 C ATOM 215 CD2 TYR A 42 -4.831 -9.123 10.359 1.00 26.15 C ATOM 216 CE1 TYR A 42 -5.544 -11.392 11.764 1.00 25.03 C ATOM 217 CE2 TYR A 42 -4.721 -9.142 11.747 1.00 24.62 C ATOM 218 CZ TYR A 42 -5.075 -10.277 12.439 1.00 22.89 C ATOM 219 OH TYR A 42 -4.960 -10.301 13.818 1.00 26.19 O ATOM 220 HH TYR A 42 -5.253 -11.184 14.157 1.00 0.00 H ATOM 221 H TYR A 42 -5.957 -10.228 5.595 1.00 0.00 H ATOM 222 N LEU A 43 -8.852 -9.636 8.445 1.00 14.04 N ATOM 223 CA LEU A 43 -9.972 -8.705 8.470 1.00 15.83 C ATOM 224 C LEU A 43 -10.153 -8.084 9.846 1.00 14.25 C ATOM 225 O LEU A 43 -10.064 -8.774 10.869 1.00 17.29 O ATOM 226 CB LEU A 43 -11.283 -9.410 8.106 1.00 15.12 C ATOM 227 CG LEU A 43 -11.299 -10.151 6.773 1.00 15.28 C ATOM 228 CD1 LEU A 43 -12.698 -10.693 6.496 1.00 17.76 C ATOM 229 CD2 LEU A 43 -10.818 -9.238 5.651 1.00 16.96 C ATOM 230 H LEU A 43 -8.925 -10.523 8.982 1.00 0.00 H ATOM 231 N LYS A 44 -10.451 -6.783 9.856 1.00 14.39 N ATOM 232 CA LYS A 44 -11.019 -6.108 11.016 1.00 15.47 C ATOM 233 C LYS A 44 -12.532 -6.110 10.836 1.00 17.93 C ATOM 234 O LYS A 44 -13.041 -5.655 9.803 1.00 16.32 O ATOM 235 CB LYS A 44 -10.491 -4.672 11.115 1.00 18.47 C ATOM 236 CG LYS A 44 -11.212 -3.781 12.132 1.00 18.73 C ATOM 237 CD LYS A 44 -10.993 -4.264 13.562 1.00 21.02 C ATOM 238 CE LYS A 44 -11.471 -3.235 14.582 1.00 20.11 C ATOM 239 NZ LYS A 44 -12.927 -2.950 14.437 1.00 18.94 N ATOM 240 HZ1 LYS A 44 -13.113 -2.578 13.484 1.00 0.00 H ATOM 241 HZ2 LYS A 44 -13.467 -3.828 14.579 1.00 0.00 H ATOM 242 HZ3 LYS A 44 -13.214 -2.247 15.147 1.00 0.00 H ATOM 243 H LYS A 44 -10.270 -6.226 8.997 1.00 0.00 H ATOM 244 N TRP A 45 -13.246 -6.655 11.817 1.00 17.26 N ATOM 245 CA TRP A 45 -14.694 -6.764 11.742 1.00 13.75 C ATOM 246 C TRP A 45 -15.340 -5.516 12.334 1.00 17.29 C ATOM 247 O TRP A 45 -14.927 -5.033 13.393 1.00 17.34 O ATOM 248 CB TRP A 45 -15.169 -8.011 12.498 1.00 19.84 C ATOM 249 CG TRP A 45 -14.585 -9.299 11.969 1.00 16.69 C ATOM 250 CD1 TRP A 45 -13.490 -9.966 12.447 1.00 20.90 C ATOM 251 CD2 TRP A 45 -15.065 -10.069 10.859 1.00 18.30 C ATOM 252 NE1 TRP A 45 -13.263 -11.103 11.703 1.00 16.55 N ATOM 253 CE2 TRP A 45 -14.216 -11.187 10.722 1.00 16.17 C ATOM 254 CE3 TRP A 45 -16.130 -9.921 9.965 1.00 19.44 C ATOM 255 CZ2 TRP A 45 -14.402 -12.155 9.729 1.00 18.41 C ATOM 256 CZ3 TRP A 45 -16.310 -10.881 8.977 1.00 19.10 C ATOM 257 CH2 TRP A 45 -15.447 -11.979 8.865 1.00 17.64 C ATOM 258 HE1 TRP A 45 -12.494 -11.786 11.860 1.00 0.00 H ATOM 259 H TRP A 45 -12.755 -7.013 12.661 1.00 0.00 H ATOM 260 N LYS A 46 -16.357 -4.996 11.643 1.00 19.30 N ATOM 261 CA LYS A 46 -17.060 -3.805 12.112 1.00 20.00 C ATOM 262 C LYS A 46 -17.686 -4.047 13.482 1.00 19.67 C ATOM 263 O LYS A 46 -18.391 -5.037 13.692 1.00 20.76 O ATOM 264 CB LYS A 46 -18.154 -3.432 11.114 1.00 20.55 C ATOM 265 CG LYS A 46 -18.724 -2.043 11.338 1.00 30.41 C ATOM 266 CD LYS A 46 -17.624 -0.997 11.249 1.00 53.12 C ATOM 267 CE LYS A 46 -18.173 0.419 11.351 1.00 72.66 C ATOM 268 NZ LYS A 46 -17.124 1.434 11.046 1.00 43.44 N ATOM 269 HZ1 LYS A 46 -16.340 1.334 11.722 1.00 0.00 H ATOM 270 HZ2 LYS A 46 -16.771 1.286 10.079 1.00 0.00 H ATOM 271 HZ3 LYS A 46 -17.532 2.387 11.125 1.00 0.00 H ATOM 272 H LYS A 46 -16.654 -5.447 10.754 1.00 0.00 H ATOM 273 N GLY A 47 -17.428 -3.133 14.413 1.00 17.35 N ATOM 274 CA GLY A 47 -18.010 -3.232 15.736 1.00 22.07 C ATOM 275 C GLY A 47 -17.377 -4.250 16.661 1.00 25.52 C ATOM 276 O GLY A 47 -17.866 -4.419 17.786 1.00 22.31 O ATOM 277 H GLY A 47 -16.799 -2.336 14.188 1.00 0.00 H ATOM 278 N TYR A 48 -16.308 -4.929 16.241 1.00 19.20 N ATOM 279 CA TYR A 48 -15.596 -5.866 17.101 1.00 23.37 C ATOM 280 C TYR A 48 -14.179 -5.367 17.372 1.00 22.58 C ATOM 281 O TYR A 48 -13.596 -4.659 16.544 1.00 21.77 O ATOM 282 CB TYR A 48 -15.511 -7.264 16.469 1.00 18.64 C ATOM 283 CG TYR A 48 -16.836 -7.992 16.399 1.00 18.79 C ATOM 284 CD1 TYR A 48 -17.784 -7.670 15.429 1.00 21.42 C ATOM 285 CD2 TYR A 48 -17.137 -9.010 17.296 1.00 20.73 C ATOM 286 CE1 TYR A 48 -18.998 -8.343 15.367 1.00 22.63 C ATOM 287 CE2 TYR A 48 -18.346 -9.685 17.240 1.00 20.88 C ATOM 288 CZ TYR A 48 -19.271 -9.345 16.272 1.00 23.39 C ATOM 289 OH TYR A 48 -20.473 -10.014 16.209 1.00 24.14 O ATOM 290 HH TYR A 48 -21.014 -9.649 15.464 1.00 0.00 H ATOM 291 H TYR A 48 -15.972 -4.785 15.268 1.00 0.00 H ATOM 292 N PRO A 49 -13.603 -5.718 18.520 1.00 22.16 N ATOM 293 CA PRO A 49 -12.239 -5.271 18.838 1.00 21.12 C ATOM 294 C PRO A 49 -11.204 -5.886 17.908 1.00 18.05 C ATOM 295 O PRO A 49 -11.424 -6.924 17.280 1.00 21.35 O ATOM 296 CB PRO A 49 -12.029 -5.777 20.272 1.00 19.60 C ATOM 297 CG PRO A 49 -13.395 -6.018 20.794 1.00 22.05 C ATOM 298 CD PRO A 49 -14.210 -6.462 19.634 1.00 21.68 C ATOM 299 N GLU A 50 -10.040 -5.226 17.844 1.00 21.29 N ATOM 300 CA GLU A 50 -8.933 -5.738 17.036 1.00 22.78 C ATOM 301 C GLU A 50 -8.508 -7.139 17.465 1.00 21.69 C ATOM 302 O GLU A 50 -7.972 -7.899 16.652 1.00 23.91 O ATOM 303 CB GLU A 50 -7.739 -4.780 17.093 1.00 30.40 C ATOM 304 CG GLU A 50 -7.839 -3.577 16.161 1.00 39.05 C ATOM 305 CD GLU A 50 -7.211 -3.839 14.798 1.00 73.69 C ATOM 306 OE1 GLU A 50 -7.874 -3.595 13.767 1.00 62.38 O ATOM 307 OE2 GLU A 50 -6.046 -4.290 14.759 1.00 95.30 O ATOM 308 H GLU A 50 -9.922 -4.339 18.375 1.00 0.00 H ATOM 309 N THR A 51 -8.743 -7.507 18.729 1.00 25.36 N ATOM 310 CA THR A 51 -8.415 -8.860 19.169 1.00 23.98 C ATOM 311 C THR A 51 -9.221 -9.921 18.433 1.00 29.48 C ATOM 312 O THR A 51 -8.851 -11.100 18.471 1.00 26.77 O ATOM 313 CB THR A 51 -8.646 -9.008 20.674 1.00 26.10 C ATOM 314 OG1 THR A 51 -9.970 -8.564 20.999 1.00 29.77 O ATOM 315 CG2 THR A 51 -7.631 -8.193 21.454 1.00 35.92 C ATOM 316 HG1 THR A 51 -10.119 -8.660 21.973 1.00 0.00 H ATOM 317 H THR A 51 -9.160 -6.829 19.399 1.00 0.00 H ATOM 318 N GLU A 52 -10.314 -9.537 17.778 1.00 20.32 N ATOM 319 CA GLU A 52 -11.145 -10.473 17.038 1.00 20.19 C ATOM 320 C GLU A 52 -10.785 -10.557 15.558 1.00 18.39 C ATOM 321 O GLU A 52 -11.466 -11.275 14.819 1.00 19.44 O ATOM 322 CB GLU A 52 -12.629 -10.119 17.195 1.00 19.10 C ATOM 323 CG GLU A 52 -13.158 -10.228 18.626 1.00 21.12 C ATOM 324 CD GLU A 52 -13.330 -11.667 19.085 1.00 42.67 C ATOM 325 OE1 GLU A 52 -13.284 -12.578 18.228 1.00 33.82 O ATOM 326 OE2 GLU A 52 -13.507 -11.889 20.304 1.00 31.42 O ATOM 327 H GLU A 52 -10.583 -8.533 17.796 1.00 0.00 H ATOM 328 N ASN A 53 -9.742 -9.853 15.112 1.00 18.88 N ATOM 329 CA ASN A 53 -9.329 -9.937 13.715 1.00 17.62 C ATOM 330 C ASN A 53 -9.000 -11.381 13.362 1.00 22.68 C ATOM 331 O ASN A 53 -8.410 -12.109 14.163 1.00 21.05 O ATOM 332 CB ASN A 53 -8.081 -9.087 13.488 1.00 19.46 C ATOM 333 CG ASN A 53 -8.347 -7.601 13.591 1.00 22.17 C ATOM 334 OD1 ASN A 53 -9.480 -7.161 13.790 1.00 18.39 O ATOM 335 ND2 ASN A 53 -7.287 -6.812 13.472 1.00 26.99 N ATOM 336 HD22 ASN A 53 -6.347 -7.225 13.304 1.00 0.00 H ATOM 337 HD21 ASN A 53 -7.396 -5.780 13.546 1.00 0.00 H ATOM 338 H ASN A 53 -9.218 -9.238 15.767 1.00 0.00 H ATOM 339 N THR A 54 -9.388 -11.801 12.158 1.00 17.93 N ATOM 340 CA THR A 54 -9.179 -13.182 11.735 1.00 18.11 C ATOM 341 C THR A 54 -8.703 -13.229 10.290 1.00 19.36 C ATOM 342 O THR A 54 -8.986 -12.332 9.493 1.00 17.51 O ATOM 343 CB THR A 54 -10.470 -14.004 11.835 1.00 20.77 C ATOM 344 OG1 THR A 54 -11.508 -13.359 11.083 1.00 21.48 O ATOM 345 CG2 THR A 54 -10.906 -14.161 13.284 1.00 27.83 C ATOM 346 HG1 THR A 54 -12.340 -13.891 11.149 1.00 0.00 H ATOM 347 H THR A 54 -9.848 -11.132 11.508 1.00 0.00 H ATOM 348 N TRP A 55 -7.985 -14.302 9.957 1.00 18.20 N ATOM 349 CA TRP A 55 -7.635 -14.609 8.579 1.00 15.83 C ATOM 350 C TRP A 55 -8.778 -15.402 7.960 1.00 18.10 C ATOM 351 O TRP A 55 -9.228 -16.403 8.534 1.00 20.17 O ATOM 352 CB TRP A 55 -6.352 -15.442 8.527 1.00 17.28 C ATOM 353 CG TRP A 55 -5.112 -14.681 8.820 1.00 19.40 C ATOM 354 CD1 TRP A 55 -4.437 -14.636 10.007 1.00 21.62 C ATOM 355 CD2 TRP A 55 -4.381 -13.854 7.910 1.00 16.57 C ATOM 356 NE1 TRP A 55 -3.331 -13.834 9.891 1.00 22.03 N ATOM 357 CE2 TRP A 55 -3.272 -13.340 8.613 1.00 23.59 C ATOM 358 CE3 TRP A 55 -4.554 -13.502 6.567 1.00 16.37 C ATOM 359 CZ2 TRP A 55 -2.344 -12.490 8.021 1.00 22.89 C ATOM 360 CZ3 TRP A 55 -3.631 -12.658 5.982 1.00 18.23 C ATOM 361 CH2 TRP A 55 -2.538 -12.161 6.706 1.00 20.19 C ATOM 362 HE1 TRP A 55 -2.648 -13.633 10.649 1.00 0.00 H ATOM 363 H TRP A 55 -7.663 -14.943 10.710 1.00 0.00 H ATOM 364 N GLU A 56 -9.259 -14.948 6.801 1.00 16.21 N ATOM 365 CA GLU A 56 -10.359 -15.619 6.127 1.00 17.88 C ATOM 366 C GLU A 56 -9.981 -15.902 4.679 1.00 19.43 C ATOM 367 O GLU A 56 -9.370 -15.051 4.019 1.00 19.26 O ATOM 368 CB GLU A 56 -11.635 -14.752 6.146 1.00 19.73 C ATOM 369 CG GLU A 56 -12.128 -14.351 7.544 1.00 16.63 C ATOM 370 CD GLU A 56 -12.591 -15.532 8.381 1.00 22.27 C ATOM 371 OE1 GLU A 56 -12.881 -16.606 7.797 1.00 24.48 O ATOM 372 OE2 GLU A 56 -12.653 -15.391 9.626 1.00 21.54 O ATOM 373 H GLU A 56 -8.839 -14.099 6.372 1.00 0.00 H ATOM 374 N PRO A 57 -10.343 -17.074 4.151 1.00 19.22 N ATOM 375 CA PRO A 57 -10.096 -17.347 2.730 1.00 23.58 C ATOM 376 C PRO A 57 -10.849 -16.360 1.852 1.00 18.06 C ATOM 377 O PRO A 57 -11.929 -15.880 2.209 1.00 19.75 O ATOM 378 CB PRO A 57 -10.636 -18.769 2.546 1.00 27.43 C ATOM 379 CG PRO A 57 -11.643 -18.924 3.611 1.00 20.76 C ATOM 380 CD PRO A 57 -11.112 -18.149 4.794 1.00 20.27 C ATOM 381 N GLU A 58 -10.267 -16.070 0.681 1.00 20.43 N ATOM 382 CA GLU A 58 -10.830 -15.035 -0.180 1.00 18.11 C ATOM 383 C GLU A 58 -12.276 -15.328 -0.563 1.00 19.37 C ATOM 384 O GLU A 58 -13.076 -14.396 -0.719 1.00 20.17 O ATOM 385 CB GLU A 58 -9.954 -14.824 -1.418 1.00 20.03 C ATOM 386 CG GLU A 58 -9.832 -16.024 -2.337 1.00 19.09 C ATOM 387 CD GLU A 58 -9.119 -15.682 -3.634 1.00 20.77 C ATOM 388 OE1 GLU A 58 -8.992 -14.478 -3.940 1.00 36.36 O ATOM 389 OE2 GLU A 58 -8.691 -16.614 -4.349 1.00 23.40 O ATOM 390 H GLU A 58 -9.412 -16.583 0.385 1.00 0.00 H ATOM 391 N ASN A 59 -12.641 -16.604 -0.704 1.00 22.85 N ATOM 392 CA ASN A 59 -14.018 -16.909 -1.088 1.00 20.04 C ATOM 393 C ASN A 59 -15.025 -16.670 0.034 1.00 23.82 C ATOM 394 O ASN A 59 -16.232 -16.710 -0.226 1.00 19.25 O ATOM 395 CB ASN A 59 -14.138 -18.336 -1.623 1.00 26.17 C ATOM 396 CG ASN A 59 -13.719 -18.447 -3.075 1.00 50.19 C ATOM 397 OD1 ASN A 59 -13.794 -17.476 -3.832 1.00 53.09 O ATOM 398 ND2 ASN A 59 -13.280 -19.634 -3.475 1.00 68.95 N ATOM 399 HD22 ASN A 59 -13.234 -20.425 -2.802 1.00 0.00 H ATOM 400 HD21 ASN A 59 -12.982 -19.773 -4.462 1.00 0.00 H ATOM 401 H ASN A 59 -11.956 -17.370 -0.543 1.00 0.00 H ATOM 402 N ASN A 60 -14.572 -16.431 1.266 1.00 19.59 N ATOM 403 CA ASN A 60 -15.488 -16.059 2.337 1.00 17.47 C ATOM 404 C ASN A 60 -15.930 -14.600 2.252 1.00 17.27 C ATOM 405 O ASN A 60 -16.879 -14.208 2.941 1.00 18.38 O ATOM 406 CB ASN A 60 -14.837 -16.313 3.702 1.00 17.78 C ATOM 407 CG ASN A 60 -14.990 -17.747 4.171 1.00 23.16 C ATOM 408 OD1 ASN A 60 -15.291 -18.641 3.385 1.00 22.97 O ATOM 409 ND2 ASN A 60 -14.775 -17.971 5.465 1.00 25.59 N ATOM 410 HD22 ASN A 60 -14.522 -17.183 6.094 1.00 0.00 H ATOM 411 HD21 ASN A 60 -14.860 -18.935 5.847 1.00 0.00 H ATOM 412 H ASN A 60 -13.554 -16.511 1.464 1.00 0.00 H ATOM 413 N LEU A 61 -15.294 -13.789 1.417 1.00 17.70 N ATOM 414 CA LEU A 61 -15.551 -12.358 1.405 1.00 16.27 C ATOM 415 C LEU A 61 -16.549 -11.995 0.319 1.00 19.55 C ATOM 416 O LEU A 61 -16.463 -12.480 -0.812 1.00 19.93 O ATOM 417 CB LEU A 61 -14.256 -11.578 1.160 1.00 18.52 C ATOM 418 CG LEU A 61 -13.345 -11.333 2.364 1.00 22.97 C ATOM 419 CD1 LEU A 61 -12.724 -12.624 2.893 1.00 20.31 C ATOM 420 CD2 LEU A 61 -12.259 -10.352 1.975 1.00 20.47 C ATOM 421 H LEU A 61 -14.596 -14.186 0.756 1.00 0.00 H ATOM 422 N ASP A 62 -17.487 -11.126 0.677 1.00 19.33 N ATOM 423 CA ASP A 62 -18.269 -10.345 -0.271 1.00 22.15 C ATOM 424 C ASP A 62 -17.916 -8.880 -0.035 1.00 23.42 C ATOM 425 O ASP A 62 -18.674 -8.116 0.567 1.00 23.13 O ATOM 426 CB ASP A 62 -19.764 -10.612 -0.063 1.00 23.54 C ATOM 427 CG ASP A 62 -20.621 -10.108 -1.218 1.00 33.20 C ATOM 428 OD1 ASP A 62 -20.073 -9.486 -2.151 1.00 31.96 O ATOM 429 OD2 ASP A 62 -21.850 -10.323 -1.181 1.00 37.31 O ATOM 430 H ASP A 62 -17.674 -10.996 1.692 1.00 0.00 H ATOM 431 N CYS A 63 -16.713 -8.506 -0.474 1.00 21.98 N ATOM 432 CA CYS A 63 -16.154 -7.173 -0.248 1.00 21.75 C ATOM 433 C CYS A 63 -15.385 -6.728 -1.486 1.00 20.42 C ATOM 434 O CYS A 63 -14.199 -6.415 -1.430 1.00 21.71 O ATOM 435 CB CYS A 63 -15.155 -7.157 0.906 1.00 25.67 C ATOM 436 SG CYS A 63 -15.706 -7.778 2.471 1.00 27.57 S ATOM 437 H CYS A 63 -16.144 -9.197 -1.004 1.00 0.00 H ATOM 438 N GLN A 64 -16.046 -6.718 -2.642 1.00 28.91 N ATOM 439 CA GLN A 64 -15.309 -6.398 -3.860 1.00 34.40 C ATOM 440 C GLN A 64 -14.686 -5.009 -3.790 1.00 21.17 C ATOM 441 O GLN A 64 -13.554 -4.808 -4.248 1.00 25.14 O ATOM 442 CB GLN A 64 -16.174 -6.585 -5.105 1.00 41.22 C ATOM 443 CG GLN A 64 -15.924 -7.927 -5.786 1.00 77.43 C ATOM 444 CD GLN A 64 -14.448 -8.322 -5.760 1.00 73.84 C ATOM 445 OE1 GLN A 64 -14.083 -9.367 -5.210 1.00 38.70 O ATOM 446 NE2 GLN A 64 -13.593 -7.479 -6.343 1.00 46.98 N ATOM 447 HE22 GLN A 64 -13.945 -6.611 -6.794 1.00 0.00 H ATOM 448 HE21 GLN A 64 -12.575 -7.691 -6.346 1.00 0.00 H ATOM 449 H GLN A 64 -17.063 -6.933 -2.676 1.00 0.00 H ATOM 450 N ASP A 65 -15.386 -4.048 -3.182 1.00 21.99 N ATOM 451 CA ASP A 65 -14.827 -2.703 -3.076 1.00 22.65 C ATOM 452 C ASP A 65 -13.559 -2.697 -2.232 1.00 21.96 C ATOM 453 O ASP A 65 -12.545 -2.106 -2.624 1.00 21.28 O ATOM 454 CB ASP A 65 -15.862 -1.724 -2.523 1.00 31.48 C ATOM 455 CG ASP A 65 -16.949 -1.400 -3.529 1.00 58.85 C ATOM 456 OD1 ASP A 65 -16.633 -1.284 -4.733 1.00 41.15 O ATOM 457 OD2 ASP A 65 -18.118 -1.259 -3.116 1.00 48.83 O ATOM 458 H ASP A 65 -16.325 -4.256 -2.786 1.00 0.00 H ATOM 459 N LEU A 66 -13.592 -3.361 -1.070 1.00 19.70 N ATOM 460 CA LEU A 66 -12.407 -3.405 -0.218 1.00 19.40 C ATOM 461 C LEU A 66 -11.267 -4.169 -0.883 1.00 20.16 C ATOM 462 O LEU A 66 -10.104 -3.768 -0.777 1.00 18.63 O ATOM 463 CB LEU A 66 -12.734 -4.033 1.139 1.00 21.00 C ATOM 464 CG LEU A 66 -13.648 -3.266 2.089 1.00 18.92 C ATOM 465 CD1 LEU A 66 -13.764 -4.025 3.410 1.00 20.51 C ATOM 466 CD2 LEU A 66 -13.089 -1.869 2.324 1.00 20.21 C ATOM 467 H LEU A 66 -14.463 -3.846 -0.774 1.00 0.00 H ATOM 468 N ILE A 67 -11.575 -5.283 -1.552 1.00 19.80 N ATOM 469 CA ILE A 67 -10.522 -6.088 -2.170 1.00 17.88 C ATOM 470 C ILE A 67 -9.845 -5.315 -3.296 1.00 19.80 C ATOM 471 O ILE A 67 -8.613 -5.258 -3.379 1.00 25.89 O ATOM 472 CB ILE A 67 -11.078 -7.439 -2.650 1.00 19.65 C ATOM 473 CG1 ILE A 67 -11.510 -8.301 -1.456 1.00 21.32 C ATOM 474 CG2 ILE A 67 -10.025 -8.169 -3.469 1.00 24.13 C ATOM 475 CD1 ILE A 67 -12.240 -9.585 -1.848 1.00 24.85 C ATOM 476 H ILE A 67 -12.568 -5.580 -1.634 1.00 0.00 H ATOM 477 N GLN A 68 -10.642 -4.692 -4.168 1.00 21.71 N ATOM 478 CA GLN A 68 -10.070 -3.922 -5.269 1.00 20.11 C ATOM 479 C GLN A 68 -9.253 -2.745 -4.757 1.00 23.83 C ATOM 480 O GLN A 68 -8.200 -2.422 -5.319 1.00 24.16 O ATOM 481 CB GLN A 68 -11.177 -3.449 -6.212 1.00 30.56 C ATOM 482 CG GLN A 68 -10.668 -2.883 -7.522 1.00 67.50 C ATOM 483 CD GLN A 68 -11.787 -2.427 -8.436 1.00 67.89 C ATOM 484 OE1 GLN A 68 -12.965 -2.497 -8.080 1.00 65.07 O ATOM 485 NE2 GLN A 68 -11.424 -1.962 -9.628 1.00 27.28 N ATOM 486 HE22 GLN A 68 -10.417 -1.921 -9.886 1.00 0.00 H ATOM 487 HE21 GLN A 68 -12.147 -1.639 -10.302 1.00 0.00 H ATOM 488 H GLN A 68 -11.675 -4.756 -4.062 1.00 0.00 H ATOM 489 N GLN A 69 -9.716 -2.090 -3.690 1.00 20.35 N ATOM 490 CA GLN A 69 -8.947 -0.984 -3.134 1.00 19.63 C ATOM 491 C GLN A 69 -7.655 -1.480 -2.503 1.00 23.06 C ATOM 492 O GLN A 69 -6.602 -0.848 -2.646 1.00 29.89 O ATOM 493 CB GLN A 69 -9.781 -0.230 -2.103 1.00 18.63 C ATOM 494 CG GLN A 69 -9.107 1.016 -1.589 1.00 20.07 C ATOM 495 CD GLN A 69 -8.808 1.991 -2.706 1.00 20.83 C ATOM 496 OE1 GLN A 69 -9.722 2.521 -3.321 1.00 23.81 O ATOM 497 NE2 GLN A 69 -7.528 2.226 -2.976 1.00 20.95 N ATOM 498 HE22 GLN A 69 -6.785 1.751 -2.425 1.00 0.00 H ATOM 499 HE21 GLN A 69 -7.270 2.885 -3.738 1.00 0.00 H ATOM 500 H GLN A 69 -10.620 -2.367 -3.258 1.00 0.00 H ATOM 501 N TYR A 70 -7.717 -2.607 -1.789 1.00 21.22 N ATOM 502 CA TYR A 70 -6.512 -3.165 -1.190 1.00 18.30 C ATOM 503 C TYR A 70 -5.506 -3.566 -2.260 1.00 27.55 C ATOM 504 O TYR A 70 -4.310 -3.277 -2.137 1.00 28.44 O ATOM 505 CB TYR A 70 -6.863 -4.381 -0.333 1.00 20.03 C ATOM 506 CG TYR A 70 -5.661 -4.958 0.378 1.00 22.67 C ATOM 507 CD1 TYR A 70 -4.905 -5.979 -0.191 1.00 27.39 C ATOM 508 CD2 TYR A 70 -5.275 -4.467 1.613 1.00 27.87 C ATOM 509 CE1 TYR A 70 -3.796 -6.500 0.466 1.00 33.80 C ATOM 510 CE2 TYR A 70 -4.176 -4.976 2.275 1.00 26.98 C ATOM 511 CZ TYR A 70 -3.440 -5.990 1.700 1.00 26.15 C ATOM 512 OH TYR A 70 -2.342 -6.493 2.369 1.00 37.80 O ATOM 513 HH TYR A 70 -1.926 -7.209 1.827 1.00 0.00 H ATOM 514 H TYR A 70 -8.630 -3.088 -1.660 1.00 0.00 H ATOM 515 N GLU A 71 -5.971 -4.252 -3.309 1.00 30.59 N ATOM 516 CA GLU A 71 -5.058 -4.726 -4.346 1.00 38.15 C ATOM 517 C GLU A 71 -4.507 -3.569 -5.170 1.00 38.99 C ATOM 518 O GLU A 71 -3.356 -3.612 -5.618 1.00 46.09 O ATOM 519 CB GLU A 71 -5.750 -5.756 -5.242 1.00 35.94 C ATOM 520 CG GLU A 71 -6.220 -7.020 -4.524 1.00 42.49 C ATOM 521 CD GLU A 71 -5.093 -8.002 -4.229 1.00 73.58 C ATOM 522 OE1 GLU A 71 -3.949 -7.754 -4.667 1.00 71.55 O ATOM 523 OE2 GLU A 71 -5.354 -9.027 -3.560 1.00 37.78 O ATOM 524 H GLU A 71 -6.989 -4.449 -3.387 1.00 0.00 H ATOM 525 N ALA A 72 -5.308 -2.524 -5.379 1.00 34.20 N ATOM 526 CA ALA A 72 -4.805 -1.377 -6.124 1.00 41.90 C ATOM 527 C ALA A 72 -3.785 -0.584 -5.318 1.00 44.21 C ATOM 528 O ALA A 72 -2.883 0.029 -5.901 1.00 67.02 O ATOM 529 CB ALA A 72 -5.961 -0.479 -6.571 1.00 45.44 C ATOM 530 H ALA A 72 -6.282 -2.527 -5.014 1.00 0.00 H ATOM 531 N SER A 73 -3.893 -0.601 -3.989 1.00 54.88 N ATOM 532 CA SER A 73 -3.087 0.257 -3.127 1.00 53.40 C ATOM 533 C SER A 73 -1.777 -0.375 -2.667 1.00 37.72 C ATOM 534 O SER A 73 -0.964 0.320 -2.046 1.00 55.56 O ATOM 535 CB SER A 73 -3.895 0.711 -1.904 1.00 45.61 C ATOM 536 OG SER A 73 -5.101 1.343 -2.290 1.00 43.63 O ATOM 537 HG SER A 73 -5.652 0.709 -2.814 1.00 0.00 H ATOM 538 H SER A 73 -4.577 -1.250 -3.551 1.00 0.00 H ATOM 539 N ARG A 74 -1.540 -1.654 -2.955 1.00 56.58 N ATOM 540 CA ARG A 74 -0.306 -2.304 -2.507 1.00 55.47 C ATOM 541 C ARG A 74 0.877 -1.900 -3.381 1.00 43.24 C ATOM 542 O ARG A 74 1.111 -2.483 -4.436 1.00 61.16 O ATOM 543 CB ARG A 74 -0.447 -3.838 -2.461 1.00 62.04 C ATOM 544 CG ARG A 74 -1.106 -4.490 -3.666 1.00 53.46 C ATOM 545 CD ARG A 74 -1.760 -5.819 -3.289 1.00 58.73 C ATOM 546 NE ARG A 74 -0.764 -6.787 -2.854 1.00 78.50 N ATOM 547 CZ ARG A 74 -0.895 -8.107 -2.957 1.00 70.93 C ATOM 548 NH1 ARG A 74 0.073 -8.912 -2.514 1.00 64.96 N ATOM 549 NH2 ARG A 74 -1.983 -8.625 -3.518 1.00 75.92 N ATOM 550 HE ARG A 74 0.113 -6.421 -2.432 1.00 0.00 H ATOM 551 HH12 ARG A 74 -0.031 -9.944 -2.595 1.00 0.00 H ATOM 552 HH11 ARG A 74 0.931 -8.508 -2.088 1.00 0.00 H ATOM 553 HH22 ARG A 74 -2.086 -9.657 -3.599 1.00 0.00 H ATOM 554 HH21 ARG A 74 -2.732 -7.999 -3.876 1.00 0.00 H ATOM 555 H ARG A 74 -2.238 -2.196 -3.503 1.00 0.00 H TER 556 ARG A 74 HETATM 557 O HOH 1 -12.624 -13.520 16.034 1.00 32.71 O HETATM 558 O HOH 2 -20.549 -12.422 2.946 1.00 31.88 O HETATM 559 O HOH 3 -11.096 0.366 13.743 1.00 40.66 O HETATM 560 O HOH 4 -15.245 -0.602 -6.810 1.00 37.55 O HETATM 561 O HOH 5 -14.521 -21.146 2.875 1.00 37.34 O HETATM 562 O HOH 6 -7.302 -18.640 -3.280 1.00 30.92 O HETATM 563 O HOH 7 -19.314 -2.537 19.032 1.00 23.36 O HETATM 564 O HOH 8 -15.822 -0.727 13.859 1.00 35.25 O HETATM 565 O HOH 9 -8.915 -13.277 16.600 1.00 45.24 O HETATM 566 O HOH 10 -12.409 0.555 5.102 1.00 27.97 O HETATM 567 O HOH 11 -13.951 -1.671 16.702 1.00 26.31 O HETATM 568 O HOH 12 -22.566 -7.874 10.693 1.00 37.89 O HETATM 569 O HOH 13 -14.535 -13.014 -2.791 1.00 28.97 O HETATM 570 O HOH 14 -12.204 -7.547 14.384 1.00 18.86 O HETATM 571 O HOH 15 -22.675 -8.893 14.856 1.00 36.99 O HETATM 572 O HOH 16 -19.043 -7.298 12.132 1.00 20.99 O HETATM 573 O HOH 17 -3.067 -2.644 7.213 1.00 34.07 O HETATM 574 O HOH 18 1.072 -23.029 3.735 1.00 30.79 O HETATM 575 O HOH 19 -19.052 -6.837 -2.519 1.00 44.03 O HETATM 576 O HOH 20 -11.297 -19.176 -0.715 1.00 31.95 O HETATM 577 O HOH 21 -5.208 -12.338 -5.054 1.00 49.50 O HETATM 578 O HOH 22 -7.356 -16.111 12.194 1.00 28.19 O HETATM 579 O HOH 23 -8.829 -19.154 -0.141 1.00 44.72 O HETATM 580 O HOH 24 -9.875 -2.712 19.489 1.00 31.80 O HETATM 581 O HOH 25 -15.742 -10.292 -2.753 1.00 28.75 O HETATM 582 O HOH 26 0.546 -14.721 8.458 1.00 42.94 O HETATM 583 O HOH 27 -8.875 -10.365 -6.373 1.00 41.49 O HETATM 584 O HOH 28 -17.125 -0.055 8.275 1.00 42.15 O HETATM 585 O HOH 29 -16.488 -4.010 0.030 1.00 24.20 O HETATM 586 O HOH 30 -21.571 -4.681 14.012 1.00 39.56 O HETATM 587 O HOH 31 -8.190 -20.879 2.812 1.00 44.76 O HETATM 588 O HOH 32 -8.693 -5.024 20.807 1.00 35.78 O HETATM 589 O HOH 33 -6.328 -25.703 7.020 1.00 52.92 O HETATM 590 O HOH 34 -4.536 -1.313 9.292 1.00 37.19 O HETATM 591 O HOH 35 -17.209 -0.421 19.120 1.00 36.46 O HETATM 592 O HOH 36 -21.639 -2.436 15.075 1.00 41.65 O HETATM 593 O HOH 37 2.820 -8.593 0.834 1.00 85.82 O HETATM 594 O HOH 38 -12.447 -1.931 20.542 1.00 33.28 O HETATM 595 O HOH 39 1.966 -13.827 6.781 1.00 49.52 O HETATM 596 O HOH 40 -14.753 -19.789 14.300 1.00 56.14 O HETATM 597 N GLN A 41 -20.362 -5.432 1.788 1.00 0.24 N HETATM 598 CA GLN A 41 -19.089 -5.412 2.503 1.00 0.07 C HETATM 599 C GLN A 41 -19.173 -6.315 3.729 1.00 0.23 C HETATM 600 O GLN A 41 -19.139 -5.851 4.875 1.00 -0.39 O HETATM 601 N GLN A 41 -19.303 -7.615 3.471 1.00 -0.26 N HETATM 602 CA GLN A 41 -19.480 -8.618 4.508 1.00 0.16 C HETATM 603 C GLN A 41 -18.552 -9.792 4.231 1.00 0.21 C HETATM 604 O GLN A 41 -17.944 -9.893 3.160 1.00 -0.39 O HETATM 605 N GLN A 41 -18.449 -10.691 5.210 1.00 -0.26 N HETATM 606 CA GLN A 41 -17.706 -11.925 5.007 1.00 0.13 C HETATM 607 C GLN A 41 -18.186 -12.990 5.978 1.00 0.20 C HETATM 608 O GLN A 41 -18.662 -12.690 7.079 1.00 -0.39 O HETATM 609 N GLN A 41 -18.037 -14.240 5.552 1.00 -0.26 N HETATM 610 CA GLN A 41 -18.284 -15.388 6.399 1.00 0.13 C HETATM 611 C GLN A 41 -17.084 -15.523 7.324 1.00 0.20 C HETATM 612 O GLN A 41 -15.945 -15.332 6.900 1.00 -0.39 O HETATM 613 N GLN A 41 -17.340 -15.832 8.591 1.00 -0.26 N HETATM 614 CA GLN A 41 -16.289 -15.976 9.566 1.00 0.13 C HETATM 615 CB GLN A 41 -16.597 -15.127 10.821 1.00 -0.01 C HETATM 616 CG GLN A 41 -15.456 -15.089 11.814 1.00 -0.04 C HETATM 617 CD GLN A 41 -15.933 -14.587 13.172 1.00 -0.01 C HETATM 618 CE GLN A 41 -16.478 -13.170 13.031 1.00 -0.03 C HETATM 619 NZ GLN A 41 -16.695 -12.360 14.300 1.00 0.24 N HETATM 620 CM1 GLN A 41 -15.447 -12.238 15.110 1.00 -0.04 C HETATM 621 H46 GLN A 41 -15.653 -11.646 16.014 1.00 0.08 H HETATM 622 H47 GLN A 41 -14.670 -11.738 14.513 1.00 0.08 H HETATM 623 H48 GLN A 41 -15.098 -13.240 15.399 1.00 0.08 H HETATM 624 CM2 GLN A 41 -17.189 -10.994 13.964 1.00 -0.04 C HETATM 625 H49 GLN A 41 -18.109 -11.074 13.367 1.00 0.08 H HETATM 626 H50 GLN A 41 -16.422 -10.459 13.386 1.00 0.08 H HETATM 627 H51 GLN A 41 -17.401 -10.442 14.892 1.00 0.08 H HETATM 628 CM3 GLN A 41 -17.732 -13.045 15.134 1.00 -0.04 C HETATM 629 H52 GLN A 41 -17.385 -14.056 15.393 1.00 0.08 H HETATM 630 H53 GLN A 41 -18.672 -13.114 14.567 1.00 0.08 H HETATM 631 H54 GLN A 41 -17.901 -12.469 16.055 1.00 0.08 H HETATM 632 H44 GLN A 41 -17.449 -13.242 12.519 1.00 0.08 H HETATM 633 H45 GLN A 41 -15.772 -12.609 12.401 1.00 0.08 H HETATM 634 H42 GLN A 41 -15.090 -14.586 13.879 1.00 0.03 H HETATM 635 H43 GLN A 41 -16.727 -15.249 13.549 1.00 0.03 H HETATM 636 H40 GLN A 41 -14.672 -14.416 11.436 1.00 0.03 H HETATM 637 H41 GLN A 41 -15.045 -16.103 11.929 1.00 0.03 H HETATM 638 H38 GLN A 41 -17.480 -15.551 11.321 1.00 0.03 H HETATM 639 H39 GLN A 41 -16.815 -14.098 10.501 1.00 0.03 H HETATM 640 C GLN A 41 -16.128 -17.438 9.968 1.00 0.20 C HETATM 641 O GLN A 41 -16.983 -18.041 10.616 1.00 -0.39 O HETATM 642 N GLN A 41 -15.001 -18.014 9.562 1.00 -0.27 N HETATM 643 CA GLN A 41 -14.724 -19.427 9.799 1.00 0.12 C HETATM 644 C GLN A 41 -14.053 -19.648 11.149 1.00 0.06 C HETATM 645 O GLN A 41 -14.372 -18.977 12.130 1.00 -0.57 O HETATM 646 OXT GLN A 41 -13.178 -20.502 11.287 1.00 -0.57 O HETATM 647 CB GLN A 41 -13.845 -19.989 8.680 1.00 0.08 C HETATM 648 OG GLN A 41 -12.630 -19.263 8.573 1.00 -0.39 O HETATM 649 H59 GLN A 41 -12.822 -18.353 8.382 1.00 0.21 H HETATM 650 H57 GLN A 41 -14.389 -19.921 7.727 1.00 0.06 H HETATM 651 H58 GLN A 41 -13.616 -21.043 8.897 1.00 0.06 H HETATM 652 H56 GLN A 41 -15.681 -19.970 9.797 1.00 0.07 H HETATM 653 H55 GLN A 41 -14.322 -17.462 9.079 1.00 0.19 H HETATM 654 H37 GLN A 41 -15.346 -15.624 9.121 1.00 0.08 H HETATM 655 H36 GLN A 41 -18.289 -15.968 8.876 1.00 0.19 H HETATM 656 CB GLN A 41 -18.416 -16.628 5.512 1.00 -0.01 C HETATM 657 CG GLN A 41 -18.741 -17.934 6.213 1.00 -0.02 C HETATM 658 CD GLN A 41 -18.895 -19.017 5.149 1.00 0.06 C HETATM 659 NE GLN A 41 -19.147 -20.345 5.698 1.00 -0.27 N HETATM 660 CZ GLN A 41 -20.357 -20.852 5.908 1.00 0.29 C HETATM 661 NH1 GLN A 41 -21.438 -20.141 5.615 1.00 -0.28 N HETATM 662 H32 GLN A 41 -22.375 -20.537 5.779 1.00 0.26 H HETATM 663 H33 GLN A 41 -21.341 -19.193 5.224 1.00 0.26 H HETATM 664 NH2 GLN A 41 -20.486 -22.073 6.407 1.00 -0.28 N HETATM 665 H34 GLN A 41 -19.648 -22.627 6.635 1.00 0.26 H HETATM 666 H35 GLN A 41 -21.424 -22.468 6.566 1.00 0.26 H HETATM 667 H31 GLN A 41 -18.333 -20.928 5.939 1.00 0.26 H HETATM 668 H29 GLN A 41 -17.969 -19.056 4.556 1.00 0.07 H HETATM 669 H30 GLN A 41 -19.737 -18.745 4.496 1.00 0.07 H HETATM 670 H27 GLN A 41 -19.679 -17.831 6.778 1.00 0.03 H HETATM 671 H28 GLN A 41 -17.925 -18.201 6.901 1.00 0.03 H HETATM 672 H25 GLN A 41 -17.461 -16.762 4.982 1.00 0.03 H HETATM 673 H26 GLN A 41 -19.216 -16.433 4.783 1.00 0.03 H HETATM 674 H24 GLN A 41 -19.204 -15.247 6.986 1.00 0.08 H HETATM 675 H23 GLN A 41 -17.742 -14.394 4.609 1.00 0.19 H HETATM 676 CB GLN A 41 -16.195 -11.728 5.183 1.00 -0.02 C HETATM 677 H20 GLN A 41 -15.679 -12.686 5.020 1.00 0.03 H HETATM 678 H21 GLN A 41 -15.988 -11.369 6.202 1.00 0.03 H HETATM 679 H22 GLN A 41 -15.834 -10.988 4.453 1.00 0.03 H HETATM 680 H19 GLN A 41 -17.892 -12.272 3.980 1.00 0.08 H HETATM 681 H18 GLN A 41 -18.887 -10.515 6.092 1.00 0.19 H HETATM 682 CB GLN A 41 -20.929 -9.124 4.556 1.00 0.09 C HETATM 683 OG1 GLN A 41 -21.252 -9.760 3.309 1.00 -0.39 O HETATM 684 H14 GLN A 41 -20.664 -10.492 3.167 1.00 0.21 H HETATM 685 CG2 GLN A 41 -21.904 -7.974 4.820 1.00 -0.03 C HETATM 686 H15 GLN A 41 -22.932 -8.364 4.849 1.00 0.03 H HETATM 687 H16 GLN A 41 -21.818 -7.228 4.016 1.00 0.03 H HETATM 688 H17 GLN A 41 -21.663 -7.503 5.785 1.00 0.03 H HETATM 689 H13 GLN A 41 -21.022 -9.859 5.369 1.00 0.06 H HETATM 690 H12 GLN A 41 -19.225 -8.173 5.481 1.00 0.08 H HETATM 691 H11 GLN A 41 -19.278 -7.916 2.518 1.00 0.19 H HETATM 692 CB GLN A 41 -18.732 -3.985 2.911 1.00 0.02 C HETATM 693 CG GLN A 41 -17.321 -3.833 3.448 1.00 0.04 C HETATM 694 CD GLN A 41 -16.872 -2.389 3.507 1.00 0.17 C HETATM 695 OE1 GLN A 41 -16.691 -1.746 2.473 1.00 -0.40 O HETATM 696 NE2 GLN A 41 -16.689 -1.870 4.721 1.00 -0.30 N HETATM 697 H9 GLN A 41 -16.392 -0.920 4.819 1.00 0.18 H HETATM 698 H10 GLN A 41 -16.848 -2.431 5.534 1.00 0.18 H HETATM 699 H7 GLN A 41 -16.633 -4.389 2.794 1.00 0.05 H HETATM 700 H8 GLN A 41 -17.283 -4.255 4.463 1.00 0.05 H HETATM 701 H5 GLN A 41 -19.436 -3.662 3.692 1.00 0.04 H HETATM 702 H6 GLN A 41 -18.839 -3.336 2.029 1.00 0.04 H HETATM 703 H4 GLN A 41 -18.302 -5.794 1.836 1.00 0.11 H HETATM 704 H1 GLN A 41 -20.302 -4.834 0.979 1.00 0.20 H HETATM 705 H2 GLN A 41 -21.094 -5.101 2.397 1.00 0.20 H HETATM 706 H3 GLN A 41 -20.568 -6.374 1.495 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 24 25 29 30 31 CONECT 29 24 CONECT 30 24 CONECT 31 24 CONECT 597 598 704 705 706 CONECT 598 597 599 692 703 CONECT 599 598 600 601 CONECT 600 599 CONECT 601 599 602 691 CONECT 602 601 603 682 690 CONECT 603 602 604 605 CONECT 604 603 CONECT 605 603 606 681 CONECT 606 605 607 676 680 CONECT 607 606 608 609 CONECT 608 607 CONECT 609 607 610 675 CONECT 610 609 611 656 674 CONECT 611 610 612 613 CONECT 612 611 CONECT 613 611 614 655 CONECT 614 613 615 640 654 CONECT 615 614 616 638 639 CONECT 616 615 617 636 637 CONECT 617 616 618 634 635 CONECT 618 617 619 632 633 CONECT 619 618 620 624 628 CONECT 620 619 621 622 623 CONECT 621 620 CONECT 622 620 CONECT 623 620 CONECT 624 619 625 626 627 CONECT 625 624 CONECT 626 624 CONECT 627 624 CONECT 628 619 629 630 631 CONECT 629 628 CONECT 630 628 CONECT 631 628 CONECT 632 618 CONECT 633 618 CONECT 634 617 CONECT 635 617 CONECT 636 616 CONECT 637 616 CONECT 638 615 CONECT 639 615 CONECT 640 614 641 642 CONECT 641 640 CONECT 642 640 643 653 CONECT 643 642 644 647 652 CONECT 644 643 645 646 CONECT 645 644 CONECT 646 644 CONECT 647 643 648 650 651 CONECT 648 647 649 CONECT 649 648 CONECT 650 647 CONECT 651 647 CONECT 652 643 CONECT 653 642 CONECT 654 614 CONECT 655 613 CONECT 656 610 657 672 673 CONECT 657 656 658 670 671 CONECT 658 657 659 668 669 CONECT 659 658 660 667 CONECT 660 659 661 664 CONECT 661 660 662 663 CONECT 662 661 CONECT 663 661 CONECT 664 660 665 666 CONECT 665 664 CONECT 666 664 CONECT 667 659 CONECT 668 658 CONECT 669 658 CONECT 670 657 CONECT 671 657 CONECT 672 656 CONECT 673 656 CONECT 674 610 CONECT 675 609 CONECT 676 606 677 678 679 CONECT 677 676 CONECT 678 676 CONECT 679 676 CONECT 680 606 CONECT 681 605 CONECT 682 602 683 685 689 CONECT 683 682 684 CONECT 684 683 CONECT 685 682 686 687 688 CONECT 686 685 CONECT 687 685 CONECT 688 685 CONECT 689 682 CONECT 690 602 CONECT 691 601 CONECT 692 598 693 701 702 CONECT 693 692 694 699 700 CONECT 694 693 695 696 CONECT 695 694 CONECT 696 694 697 698 CONECT 697 696 CONECT 698 696 CONECT 699 693 CONECT 700 693 CONECT 701 692 CONECT 702 692 CONECT 703 598 CONECT 704 597 CONECT 705 597 CONECT 706 597 MASTER 0 0 0 0 0 0 0 0 704 2 118 5 END
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Related entries of code: 6at0
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
69aa, >1KNA_1|Chain... *
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PDBbind
69aa, >1KNE_1|Chain... at 100%
6asz
RCSB PDB
PDBbind
69aa, >6ASZ_1|Chain... at 98%
Complexes with the same small molecule ligand
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Ligand Name
1a7c
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6-mer
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6-mer
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PDBbind
6-mer
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PDBbind
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1xt3
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PDBbind
6-mer
1zfp
RCSB PDB
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
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PDBbind
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PDBbind
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
PDBbind
6-mer
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RCSB PDB
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6-mer
2r0z
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6-mer
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RCSB PDB
PDBbind
6-mer
2x6x
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
6-mer
3aw0
RCSB PDB
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PDBbind
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PDBbind
6-mer
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PDBbind
6-mer
3luo
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PDBbind
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PDBbind
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PDBbind
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PDBbind
6-mer
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3snb
RCSB PDB
PDBbind
6-mer
3snc
RCSB PDB
PDBbind
6-mer
3snd
RCSB PDB
PDBbind
6-mer
3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
3zn1
RCSB PDB
PDBbind
6-mer
4a0j
RCSB PDB
PDBbind
6-mer
4apo
RCSB PDB
PDBbind
6-mer
4b3b
RCSB PDB
PDBbind
6-mer
4b4q
RCSB PDB
PDBbind
6-mer
4b8y
RCSB PDB
PDBbind
6-mer
4c4n
RCSB PDB
PDBbind
6-mer
4dgb
RCSB PDB
PDBbind
6-mer
4er2
RCSB PDB
PDBbind
6-mer
4exh
RCSB PDB
PDBbind
6-mer
4fr3
RCSB PDB
PDBbind
6-mer
4fys
RCSB PDB
PDBbind
6-mer
4fz3
RCSB PDB
PDBbind
6-mer
4gye
RCSB PDB
PDBbind
6-mer
4gzf
RCSB PDB
PDBbind
6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4tt2
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
6at0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Heterochromatin protein 1
Ligand Name
6-mer
EC.Number
E.C.-.-.-.-
Resolution
1.29(Å)
Affinity (Kd/Ki/IC50)
Kd=91.7uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) J. Am. Chem. Soc. Vol. 139: pp. 17253-17256
Ligand Properties
Formula
C
3
0
H
6
0
N
1
1
O
1
0
Molecular Weight
734.865
Exact Mass
734.452
No. of atoms
111
No. of bonds
110
Polar Surface Area
360
LOGP Value
-4.55 (
Computed with XLOGP3
)
-4.17 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 31
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C30H57N11O10/c1-16(36-28(49)23(17(2)43)40-25(46)18(31)11-12-22(32)44)24(45)37-20(10-8-13-35-30(33)34)26(47)38-19(9-6-7-14-41(3,4)5)27(48)39-21(15-42)29(50)51/h16-21,23,42-43H,6-15,31H2,1-5H3,(H11-,32,33,34,35,36,37,38,39,40,44,45,46,47,48,49,50,51)/p+3/t16-,17+,18-,19-,20-,21-,23-/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):
P05205
P02299
Entrez Gene ID
NCBI Entrez Gene ID:
34119
318847
3771723
3771729
3771771
3771792
3771959
3772032
3772149
3772163
3772173
3772189
3772191
3772198
3772231
3772370
3772374
3772421
3772489
3772517
3772518
3772552
3772607
3772619
ASD
Information of known allosteric effects of PDB entries
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