Browse entries in the PDBbind-CN Database
HEADER 4HCZ_COMPLEX COMPND 4HCZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 ARG PRO ARG LEU TRP GLU GLY GLN ASP VAL LEU ALA ARG SEQRES 2 A 58 TRP THR ASP GLY LEU LEU TYR LEU GLY THR ILE LYS LYS SEQRES 3 A 58 VAL ASP SER ALA ARG GLU VAL CYS LEU VAL GLN PHE GLU SEQRES 4 A 58 ASP ASP SER GLN PHE LEU VAL LEU TRP LYS ASP ILE SER SEQRES 5 A 58 PRO ALA ALA LEU PRO GLY HET SER A 137 166 ATOM 1 N ARG A 28 -14.532 6.099 31.274 1.00 37.01 N ATOM 2 CA ARG A 28 -13.722 5.825 32.453 1.00 39.78 C ATOM 3 C ARG A 28 -12.501 4.937 32.193 1.00 38.77 C ATOM 4 O ARG A 28 -11.447 5.199 32.744 1.00 39.80 O ATOM 5 CB ARG A 28 -14.566 5.269 33.601 1.00 36.73 C ATOM 6 CG ARG A 28 -13.945 4.096 34.357 1.00 33.48 C ATOM 7 CD ARG A 28 -14.238 4.185 35.855 1.00 47.66 C ATOM 8 NE ARG A 28 -14.796 2.941 36.390 1.00 56.32 N ATOM 9 CZ ARG A 28 -16.053 2.792 36.816 1.00 60.69 C ATOM 10 NH1 ARG A 28 -16.901 3.815 36.795 1.00 60.83 N ATOM 11 NH2 ARG A 28 -16.465 1.617 37.276 1.00 53.48 N ATOM 12 HA ARG A 28 -13.322 6.796 32.747 1.00 0.00 H ATOM 13 HB2 ARG A 28 -14.740 6.076 34.313 1.00 0.00 H ATOM 14 HB3 ARG A 28 -15.519 4.938 33.189 1.00 0.00 H ATOM 15 HG2 ARG A 28 -14.357 3.165 33.969 1.00 0.00 H ATOM 16 HG3 ARG A 28 -12.866 4.106 34.204 1.00 0.00 H ATOM 17 HD2 ARG A 28 -14.952 4.991 36.025 1.00 0.00 H ATOM 18 HD3 ARG A 28 -13.309 4.407 36.381 1.00 0.00 H ATOM 19 HE ARG A 28 -14.168 2.114 36.442 1.00 0.00 H ATOM 20 HH12 ARG A 28 -17.878 3.688 37.129 1.00 0.00 H ATOM 21 HH11 ARG A 28 -16.588 4.743 36.444 1.00 0.00 H ATOM 22 HH22 ARG A 28 -17.444 1.503 37.607 1.00 0.00 H ATOM 23 HH21 ARG A 28 -15.809 0.811 37.305 1.00 0.00 H ATOM 24 HN3 ARG A 28 -14.887 5.203 30.883 1.00 0.00 H ATOM 25 HN2 ARG A 28 -13.951 6.584 30.561 1.00 0.00 H ATOM 26 HN1 ARG A 28 -15.335 6.705 31.539 1.00 0.00 H ATOM 27 N PRO A 29 -12.636 3.881 31.368 1.00 41.53 N ATOM 28 CA PRO A 29 -11.425 3.108 31.049 1.00 36.09 C ATOM 29 C PRO A 29 -10.401 3.978 30.318 1.00 31.99 C ATOM 30 O PRO A 29 -10.774 4.738 29.424 1.00 31.03 O ATOM 31 CB PRO A 29 -11.938 2.013 30.107 1.00 41.37 C ATOM 32 CG PRO A 29 -13.406 1.926 30.388 1.00 43.64 C ATOM 33 CD PRO A 29 -13.832 3.319 30.721 1.00 39.90 C ATOM 34 HA PRO A 29 -10.929 2.722 31.939 1.00 0.00 H ATOM 35 HD3 PRO A 29 -14.090 3.877 29.821 1.00 0.00 H ATOM 36 HD2 PRO A 29 -14.683 3.317 31.402 1.00 0.00 H ATOM 37 HG3 PRO A 29 -13.594 1.258 31.229 1.00 0.00 H ATOM 38 HG2 PRO A 29 -13.941 1.563 29.511 1.00 0.00 H ATOM 39 HB2 PRO A 29 -11.761 2.287 29.067 1.00 0.00 H ATOM 40 HB3 PRO A 29 -11.449 1.062 30.320 1.00 0.00 H ATOM 41 N ARG A 30 -9.131 3.858 30.700 1.00 27.67 N ATOM 42 CA ARG A 30 -8.052 4.626 30.101 1.00 28.23 C ATOM 43 C ARG A 30 -7.607 3.969 28.792 1.00 29.27 C ATOM 44 O ARG A 30 -7.144 4.655 27.876 1.00 27.36 O ATOM 45 CB ARG A 30 -6.892 4.679 31.095 1.00 28.10 C ATOM 46 CG ARG A 30 -5.669 5.471 30.659 1.00 28.81 C ATOM 47 CD ARG A 30 -4.634 5.509 31.789 1.00 34.21 C ATOM 48 NE ARG A 30 -3.923 4.241 31.936 1.00 31.38 N ATOM 49 CZ ARG A 30 -2.834 3.927 31.241 1.00 31.56 C ATOM 50 NH1 ARG A 30 -2.354 4.787 30.354 1.00 28.65 N ATOM 51 NH2 ARG A 30 -2.232 2.760 31.419 1.00 27.74 N ATOM 52 HA ARG A 30 -8.389 5.637 29.874 1.00 0.00 H ATOM 53 HB2 ARG A 30 -7.265 5.124 32.018 1.00 0.00 H ATOM 54 HB3 ARG A 30 -6.573 3.655 31.289 1.00 0.00 H ATOM 55 HG2 ARG A 30 -5.228 4.999 29.781 1.00 0.00 H ATOM 56 HG3 ARG A 30 -5.969 6.489 30.410 1.00 0.00 H ATOM 57 HD2 ARG A 30 -5.145 5.735 32.725 1.00 0.00 H ATOM 58 HD3 ARG A 30 -3.909 6.294 31.574 1.00 0.00 H ATOM 59 HE ARG A 30 -4.288 3.548 32.620 1.00 0.00 H ATOM 60 HH12 ARG A 30 -1.503 4.549 29.807 1.00 0.00 H ATOM 61 HH11 ARG A 30 -2.829 5.700 30.205 1.00 0.00 H ATOM 62 HH22 ARG A 30 -1.381 2.525 30.870 1.00 0.00 H ATOM 63 HH21 ARG A 30 -2.611 2.079 32.108 1.00 0.00 H ATOM 64 H ARG A 30 -8.901 3.186 31.460 1.00 0.00 H ATOM 65 N LEU A 31 -7.755 2.643 28.719 1.00 23.57 N ATOM 66 CA LEU A 31 -7.312 1.846 27.572 1.00 21.50 C ATOM 67 C LEU A 31 -8.470 1.050 26.965 1.00 19.49 C ATOM 68 O LEU A 31 -9.363 0.615 27.682 1.00 23.84 O ATOM 69 CB LEU A 31 -6.180 0.894 27.996 1.00 17.64 C ATOM 70 CG LEU A 31 -4.936 1.571 28.617 1.00 19.29 C ATOM 71 CD1 LEU A 31 -3.982 0.545 29.233 1.00 25.40 C ATOM 72 CD2 LEU A 31 -4.189 2.436 27.596 1.00 17.82 C ATOM 73 HA LEU A 31 -6.940 2.531 26.810 1.00 0.00 H ATOM 74 HB2 LEU A 31 -6.585 0.197 28.730 1.00 0.00 H ATOM 75 HB3 LEU A 31 -5.857 0.343 27.113 1.00 0.00 H ATOM 76 HG LEU A 31 -5.302 2.221 29.412 1.00 0.00 H ATOM 77 HD21 LEU A 31 -3.861 1.812 26.765 1.00 0.00 H ATOM 78 HD22 LEU A 31 -4.855 3.216 27.226 1.00 0.00 H ATOM 79 HD23 LEU A 31 -3.322 2.893 28.074 1.00 0.00 H ATOM 80 HD11 LEU A 31 -4.501 -0.007 30.017 1.00 0.00 H ATOM 81 HD12 LEU A 31 -3.647 -0.147 28.461 1.00 0.00 H ATOM 82 HD13 LEU A 31 -3.121 1.061 29.658 1.00 0.00 H ATOM 83 H LEU A 31 -8.207 2.152 29.516 1.00 0.00 H ATOM 84 N TRP A 32 -8.452 0.856 25.650 1.00 22.36 N ATOM 85 CA TRP A 32 -9.515 0.107 24.979 1.00 21.44 C ATOM 86 C TRP A 32 -9.053 -0.537 23.680 1.00 26.43 C ATOM 87 O TRP A 32 -8.080 -0.109 23.081 1.00 23.02 O ATOM 88 CB TRP A 32 -10.714 1.025 24.701 1.00 23.89 C ATOM 89 CG TRP A 32 -10.405 2.236 23.835 1.00 23.89 C ATOM 90 CD1 TRP A 32 -10.408 2.289 22.472 1.00 28.62 C ATOM 91 CD2 TRP A 32 -10.100 3.567 24.284 1.00 24.14 C ATOM 92 NE1 TRP A 32 -10.104 3.561 22.045 1.00 24.45 N ATOM 93 CE2 TRP A 32 -9.914 4.365 23.139 1.00 24.61 C ATOM 94 CE3 TRP A 32 -9.958 4.158 25.548 1.00 25.90 C ATOM 95 CZ2 TRP A 32 -9.593 5.723 23.211 1.00 28.19 C ATOM 96 CZ3 TRP A 32 -9.644 5.505 25.622 1.00 30.51 C ATOM 97 CH2 TRP A 32 -9.466 6.275 24.459 1.00 31.86 C ATOM 98 HA TRP A 32 -9.807 -0.697 25.654 1.00 0.00 H ATOM 99 HB2 TRP A 32 -11.482 0.437 24.199 1.00 0.00 H ATOM 100 HB3 TRP A 32 -11.097 1.381 25.657 1.00 0.00 H ATOM 101 HE1 TRP A 32 -10.030 3.864 21.053 1.00 0.00 H ATOM 102 HD1 TRP A 32 -10.621 1.445 21.816 1.00 0.00 H ATOM 103 HZ2 TRP A 32 -9.449 6.320 22.310 1.00 0.00 H ATOM 104 HH2 TRP A 32 -9.222 7.333 24.552 1.00 0.00 H ATOM 105 HZ3 TRP A 32 -9.533 5.976 26.599 1.00 0.00 H ATOM 106 HE3 TRP A 32 -10.092 3.568 26.455 1.00 0.00 H ATOM 107 H TRP A 32 -7.668 1.244 25.088 1.00 0.00 H ATOM 108 N GLU A 33 -9.772 -1.567 23.242 1.00 29.97 N ATOM 109 CA GLU A 33 -9.459 -2.254 21.993 1.00 28.89 C ATOM 110 C GLU A 33 -9.494 -1.307 20.797 1.00 29.12 C ATOM 111 O GLU A 33 -10.437 -0.538 20.638 1.00 29.89 O ATOM 112 CB GLU A 33 -10.444 -3.405 21.747 1.00 30.64 C ATOM 113 CG GLU A 33 -10.538 -4.413 22.871 1.00 34.14 C ATOM 114 CD GLU A 33 -11.281 -5.669 22.447 1.00 46.93 C ATOM 115 OE1 GLU A 33 -11.582 -5.806 21.240 1.00 44.04 O ATOM 116 OE2 GLU A 33 -11.563 -6.520 23.316 1.00 49.49 O ATOM 117 HA GLU A 33 -8.447 -2.647 22.095 1.00 0.00 H ATOM 118 HB2 GLU A 33 -11.434 -2.977 21.592 1.00 0.00 H ATOM 119 HB3 GLU A 33 -10.132 -3.931 20.845 1.00 0.00 H ATOM 120 HG2 GLU A 33 -9.530 -4.688 23.183 1.00 0.00 H ATOM 121 HG3 GLU A 33 -11.065 -3.958 23.709 1.00 0.00 H ATOM 122 H GLU A 33 -10.582 -1.893 23.807 1.00 0.00 H ATOM 123 N GLY A 34 -8.466 -1.375 19.956 1.00 25.14 N ATOM 124 CA GLY A 34 -8.407 -0.583 18.744 1.00 23.66 C ATOM 125 C GLY A 34 -7.665 0.720 18.936 1.00 22.86 C ATOM 126 O GLY A 34 -7.394 1.434 17.982 1.00 25.73 O ATOM 127 HA3 GLY A 34 -9.424 -0.361 18.422 1.00 0.00 H ATOM 128 HA2 GLY A 34 -7.901 -1.163 17.972 1.00 0.00 H ATOM 129 H GLY A 34 -7.678 -2.018 20.175 1.00 0.00 H ATOM 130 N GLN A 35 -7.324 1.010 20.185 1.00 26.96 N ATOM 131 CA GLN A 35 -6.576 2.201 20.543 1.00 22.56 C ATOM 132 C GLN A 35 -5.124 2.131 20.106 1.00 23.52 C ATOM 133 O GLN A 35 -4.454 1.129 20.337 1.00 23.42 O ATOM 134 CB GLN A 35 -6.615 2.383 22.052 1.00 22.00 C ATOM 135 CG GLN A 35 -6.058 3.718 22.539 1.00 17.50 C ATOM 136 CD GLN A 35 -6.157 3.820 24.034 1.00 21.14 C ATOM 137 OE1 GLN A 35 -6.163 2.803 24.724 1.00 20.41 O ATOM 138 NE2 GLN A 35 -6.272 5.041 24.549 1.00 27.68 N ATOM 139 HA GLN A 35 -7.043 3.041 20.028 1.00 0.00 H ATOM 140 HB2 GLN A 35 -7.652 2.306 22.379 1.00 0.00 H ATOM 141 HB3 GLN A 35 -6.032 1.583 22.508 1.00 0.00 H ATOM 142 HG2 GLN A 35 -5.012 3.799 22.243 1.00 0.00 H ATOM 143 HG3 GLN A 35 -6.627 4.530 22.086 1.00 0.00 H ATOM 144 HE22 GLN A 35 -6.262 5.872 23.924 1.00 0.00 H ATOM 145 HE21 GLN A 35 -6.372 5.165 25.577 1.00 0.00 H ATOM 146 H GLN A 35 -7.605 0.354 20.942 1.00 0.00 H ATOM 147 N ASP A 36 -4.635 3.215 19.505 1.00 24.30 N ATOM 148 CA ASP A 36 -3.207 3.356 19.222 1.00 25.58 C ATOM 149 C ASP A 36 -2.456 3.793 20.474 1.00 25.29 C ATOM 150 O ASP A 36 -2.838 4.775 21.141 1.00 22.74 O ATOM 151 CB ASP A 36 -2.970 4.351 18.083 1.00 30.14 C ATOM 152 CG ASP A 36 -3.417 3.810 16.734 1.00 41.32 C ATOM 153 OD1 ASP A 36 -3.536 4.612 15.787 1.00 46.40 O ATOM 154 OD2 ASP A 36 -3.653 2.583 16.624 1.00 38.48 O ATOM 155 HA ASP A 36 -2.827 2.384 18.908 1.00 0.00 H ATOM 156 HB2 ASP A 36 -3.526 5.264 18.295 1.00 0.00 H ATOM 157 HB3 ASP A 36 -1.905 4.578 18.033 1.00 0.00 H ATOM 158 H ASP A 36 -5.285 3.979 19.230 1.00 0.00 H ATOM 159 N VAL A 37 -1.379 3.086 20.789 1.00 21.56 N ATOM 160 CA VAL A 37 -0.670 3.320 22.036 1.00 19.11 C ATOM 161 C VAL A 37 0.835 3.267 21.841 1.00 20.66 C ATOM 162 O VAL A 37 1.327 2.737 20.849 1.00 20.59 O ATOM 163 CB VAL A 37 -1.026 2.264 23.098 1.00 20.83 C ATOM 164 CG1 VAL A 37 -2.479 2.393 23.533 1.00 16.44 C ATOM 165 CG2 VAL A 37 -0.731 0.841 22.577 1.00 15.58 C ATOM 166 HA VAL A 37 -0.976 4.312 22.369 1.00 0.00 H ATOM 167 HB VAL A 37 -0.399 2.442 23.972 1.00 0.00 H ATOM 168 HG11 VAL A 37 -2.644 3.384 23.957 1.00 0.00 H ATOM 169 HG12 VAL A 37 -3.129 2.253 22.669 1.00 0.00 H ATOM 170 HG13 VAL A 37 -2.701 1.634 24.283 1.00 0.00 H ATOM 171 HG21 VAL A 37 -1.324 0.653 21.682 1.00 0.00 H ATOM 172 HG22 VAL A 37 0.329 0.756 22.337 1.00 0.00 H ATOM 173 HG23 VAL A 37 -0.991 0.113 23.345 1.00 0.00 H ATOM 174 H VAL A 37 -1.037 2.354 20.134 1.00 0.00 H ATOM 175 N LEU A 38 1.563 3.824 22.797 1.00 16.60 N ATOM 176 CA LEU A 38 2.994 3.568 22.900 1.00 24.34 C ATOM 177 C LEU A 38 3.209 2.535 24.006 1.00 21.76 C ATOM 178 O LEU A 38 2.688 2.690 25.106 1.00 20.94 O ATOM 179 CB LEU A 38 3.743 4.857 23.234 1.00 28.28 C ATOM 180 CG LEU A 38 3.650 6.009 22.231 1.00 28.58 C ATOM 181 CD1 LEU A 38 4.532 7.163 22.683 1.00 27.81 C ATOM 182 CD2 LEU A 38 4.062 5.558 20.837 1.00 26.35 C ATOM 183 HA LEU A 38 3.376 3.194 21.950 1.00 0.00 H ATOM 184 HB2 LEU A 38 3.358 5.221 24.186 1.00 0.00 H ATOM 185 HB3 LEU A 38 4.797 4.603 23.343 1.00 0.00 H ATOM 186 HG LEU A 38 2.612 6.340 22.189 1.00 0.00 H ATOM 187 HD21 LEU A 38 5.091 5.199 20.862 1.00 0.00 H ATOM 188 HD22 LEU A 38 3.404 4.754 20.507 1.00 0.00 H ATOM 189 HD23 LEU A 38 3.985 6.398 20.147 1.00 0.00 H ATOM 190 HD11 LEU A 38 4.200 7.510 23.662 1.00 0.00 H ATOM 191 HD12 LEU A 38 5.566 6.825 22.747 1.00 0.00 H ATOM 192 HD13 LEU A 38 4.459 7.978 21.963 1.00 0.00 H ATOM 193 H LEU A 38 1.106 4.455 23.486 1.00 0.00 H ATOM 194 N ALA A 39 3.973 1.483 23.723 1.00 15.85 N ATOM 195 CA ALA A 39 4.216 0.439 24.714 1.00 15.26 C ATOM 196 C ALA A 39 5.712 0.380 25.039 1.00 18.74 C ATOM 197 O ALA A 39 6.544 0.334 24.125 1.00 18.57 O ATOM 198 CB ALA A 39 3.731 -0.920 24.195 1.00 17.18 C ATOM 199 HA ALA A 39 3.660 0.675 25.621 1.00 0.00 H ATOM 200 HB1 ALA A 39 2.662 -0.869 23.990 1.00 0.00 H ATOM 201 HB2 ALA A 39 4.266 -1.170 23.279 1.00 0.00 H ATOM 202 HB3 ALA A 39 3.921 -1.684 24.949 1.00 0.00 H ATOM 203 H ALA A 39 4.404 1.403 22.780 1.00 0.00 H ATOM 204 N ARG A 40 6.058 0.384 26.324 1.00 16.55 N ATOM 205 CA ARG A 40 7.472 0.278 26.698 1.00 13.78 C ATOM 206 C ARG A 40 7.886 -1.182 26.652 1.00 18.90 C ATOM 207 O ARG A 40 7.246 -2.034 27.275 1.00 19.34 O ATOM 208 CB ARG A 40 7.751 0.874 28.076 1.00 17.37 C ATOM 209 CG ARG A 40 9.261 1.114 28.327 1.00 21.00 C ATOM 210 CD ARG A 40 9.529 1.929 29.582 1.00 20.35 C ATOM 211 NE ARG A 40 8.779 3.186 29.604 1.00 22.21 N ATOM 212 CZ ARG A 40 9.166 4.318 29.019 1.00 24.98 C ATOM 213 NH1 ARG A 40 10.290 4.374 28.326 1.00 22.53 N ATOM 214 NH2 ARG A 40 8.399 5.396 29.103 1.00 23.63 N ATOM 215 HA ARG A 40 8.060 0.855 25.985 1.00 0.00 H ATOM 216 HB2 ARG A 40 7.228 1.827 28.157 1.00 0.00 H ATOM 217 HB3 ARG A 40 7.375 0.189 28.836 1.00 0.00 H ATOM 218 HG2 ARG A 40 9.755 0.148 28.427 1.00 0.00 H ATOM 219 HG3 ARG A 40 9.676 1.646 27.471 1.00 0.00 H ATOM 220 HD2 ARG A 40 10.594 2.156 29.631 1.00 0.00 H ATOM 221 HD3 ARG A 40 9.245 1.336 30.452 1.00 0.00 H ATOM 222 HE ARG A 40 7.874 3.196 30.116 1.00 0.00 H ATOM 223 HH12 ARG A 40 10.579 5.265 27.875 1.00 0.00 H ATOM 224 HH11 ARG A 40 10.886 3.527 28.232 1.00 0.00 H ATOM 225 HH22 ARG A 40 8.696 6.283 28.648 1.00 0.00 H ATOM 226 HH21 ARG A 40 7.500 5.355 29.624 1.00 0.00 H ATOM 227 H ARG A 40 5.328 0.462 27.061 1.00 0.00 H ATOM 228 N TRP A 41 8.954 -1.456 25.907 1.00 18.10 N ATOM 229 CA TRP A 41 9.427 -2.820 25.655 1.00 18.20 C ATOM 230 C TRP A 41 10.544 -3.192 26.638 1.00 17.86 C ATOM 231 O TRP A 41 10.909 -2.406 27.510 1.00 20.53 O ATOM 232 CB TRP A 41 9.902 -2.927 24.195 1.00 17.26 C ATOM 233 CG TRP A 41 10.266 -4.314 23.695 1.00 20.86 C ATOM 234 CD1 TRP A 41 11.458 -4.699 23.163 1.00 22.24 C ATOM 235 CD2 TRP A 41 9.419 -5.476 23.656 1.00 18.04 C ATOM 236 NE1 TRP A 41 11.418 -6.030 22.811 1.00 23.68 N ATOM 237 CE2 TRP A 41 10.173 -6.524 23.105 1.00 24.22 C ATOM 238 CE3 TRP A 41 8.092 -5.724 24.048 1.00 18.63 C ATOM 239 CZ2 TRP A 41 9.649 -7.799 22.923 1.00 24.78 C ATOM 240 CZ3 TRP A 41 7.574 -6.985 23.862 1.00 19.67 C ATOM 241 CH2 TRP A 41 8.353 -8.011 23.311 1.00 21.21 C ATOM 242 HA TRP A 41 8.612 -3.526 25.810 1.00 0.00 H ATOM 243 HB2 TRP A 41 9.103 -2.546 23.559 1.00 0.00 H ATOM 244 HB3 TRP A 41 10.784 -2.295 24.087 1.00 0.00 H ATOM 245 HE1 TRP A 41 12.202 -6.570 22.392 1.00 0.00 H ATOM 246 HD1 TRP A 41 12.322 -4.047 23.034 1.00 0.00 H ATOM 247 HZ2 TRP A 41 10.247 -8.600 22.488 1.00 0.00 H ATOM 248 HH2 TRP A 41 7.917 -9.002 23.188 1.00 0.00 H ATOM 249 HZ3 TRP A 41 6.542 -7.189 24.148 1.00 0.00 H ATOM 250 HE3 TRP A 41 7.486 -4.933 24.490 1.00 0.00 H ATOM 251 H TRP A 41 9.478 -0.664 25.483 1.00 0.00 H ATOM 252 N THR A 42 11.073 -4.407 26.497 1.00 20.03 N ATOM 253 CA THR A 42 12.109 -4.907 27.382 1.00 19.22 C ATOM 254 C THR A 42 13.455 -4.208 27.212 1.00 22.72 C ATOM 255 O THR A 42 14.358 -4.408 28.025 1.00 21.11 O ATOM 256 CB THR A 42 12.296 -6.403 27.149 1.00 18.85 C ATOM 257 OG1 THR A 42 12.577 -6.618 25.759 1.00 25.86 O ATOM 258 CG2 THR A 42 11.002 -7.110 27.490 1.00 20.05 C ATOM 259 HA THR A 42 11.771 -4.700 28.397 1.00 0.00 H ATOM 260 HB THR A 42 13.111 -6.782 27.765 1.00 0.00 H ATOM 261 HG1 THR A 42 13.403 -6.132 25.512 1.00 0.00 H ATOM 262 HG23 THR A 42 10.773 -6.957 28.545 1.00 0.00 H ATOM 263 HG21 THR A 42 10.196 -6.704 26.879 1.00 0.00 H ATOM 264 HG22 THR A 42 11.109 -8.176 27.291 1.00 0.00 H ATOM 265 H THR A 42 10.732 -5.017 25.727 1.00 0.00 H ATOM 266 N ASP A 43 13.607 -3.432 26.138 1.00 20.75 N ATOM 267 CA ASP A 43 14.810 -2.609 25.971 1.00 23.13 C ATOM 268 C ASP A 43 14.664 -1.213 26.597 1.00 23.15 C ATOM 269 O ASP A 43 15.571 -0.390 26.519 1.00 22.63 O ATOM 270 CB ASP A 43 15.206 -2.501 24.500 1.00 23.49 C ATOM 271 CG ASP A 43 14.091 -1.967 23.629 1.00 17.64 C ATOM 272 OD1 ASP A 43 13.048 -1.538 24.167 1.00 14.75 O ATOM 273 OD2 ASP A 43 14.256 -1.990 22.397 1.00 24.14 O ATOM 274 HA ASP A 43 15.609 -3.118 26.510 1.00 0.00 H ATOM 275 HB2 ASP A 43 16.063 -1.832 24.418 1.00 0.00 H ATOM 276 HB3 ASP A 43 15.485 -3.492 24.141 1.00 0.00 H ATOM 277 H ASP A 43 12.864 -3.410 25.410 1.00 0.00 H ATOM 278 N GLY A 44 13.533 -0.963 27.239 1.00 18.00 N ATOM 279 CA GLY A 44 13.271 0.332 27.858 1.00 22.68 C ATOM 280 C GLY A 44 12.784 1.420 26.899 1.00 17.16 C ATOM 281 O GLY A 44 12.578 2.578 27.301 1.00 19.21 O ATOM 282 HA3 GLY A 44 14.194 0.678 28.322 1.00 0.00 H ATOM 283 HA2 GLY A 44 12.510 0.192 28.626 1.00 0.00 H ATOM 284 H GLY A 44 12.812 -1.710 27.304 1.00 0.00 H ATOM 285 N LEU A 45 12.615 1.067 25.629 1.00 18.00 N ATOM 286 CA LEU A 45 12.158 2.020 24.622 1.00 22.34 C ATOM 287 C LEU A 45 10.674 1.861 24.314 1.00 20.18 C ATOM 288 O LEU A 45 10.076 0.795 24.527 1.00 16.69 O ATOM 289 CB LEU A 45 12.955 1.855 23.331 1.00 17.76 C ATOM 290 CG LEU A 45 14.472 2.046 23.468 1.00 19.02 C ATOM 291 CD1 LEU A 45 15.147 1.761 22.131 1.00 22.57 C ATOM 292 CD2 LEU A 45 14.808 3.442 23.974 1.00 21.07 C ATOM 293 HA LEU A 45 12.317 3.016 25.034 1.00 0.00 H ATOM 294 HB2 LEU A 45 12.775 0.850 22.950 1.00 0.00 H ATOM 295 HB3 LEU A 45 12.587 2.586 22.612 1.00 0.00 H ATOM 296 HG LEU A 45 14.851 1.340 24.207 1.00 0.00 H ATOM 297 HD21 LEU A 45 14.426 4.183 23.272 1.00 0.00 H ATOM 298 HD22 LEU A 45 14.348 3.593 24.951 1.00 0.00 H ATOM 299 HD23 LEU A 45 15.890 3.545 24.060 1.00 0.00 H ATOM 300 HD11 LEU A 45 14.937 0.735 21.831 1.00 0.00 H ATOM 301 HD12 LEU A 45 14.762 2.448 21.377 1.00 0.00 H ATOM 302 HD13 LEU A 45 16.224 1.898 22.233 1.00 0.00 H ATOM 303 H LEU A 45 12.813 0.086 25.345 1.00 0.00 H ATOM 304 N LEU A 46 10.091 2.925 23.782 1.00 16.37 N ATOM 305 CA LEU A 46 8.695 2.909 23.413 1.00 16.88 C ATOM 306 C LEU A 46 8.507 2.478 21.961 1.00 18.11 C ATOM 307 O LEU A 46 9.267 2.880 21.070 1.00 17.44 O ATOM 308 CB LEU A 46 8.061 4.294 23.623 1.00 20.06 C ATOM 309 CG LEU A 46 7.896 4.823 25.046 1.00 20.02 C ATOM 310 CD1 LEU A 46 7.298 6.219 24.989 1.00 22.50 C ATOM 311 CD2 LEU A 46 7.018 3.923 25.905 1.00 18.59 C ATOM 312 HA LEU A 46 8.198 2.184 24.057 1.00 0.00 H ATOM 313 HB2 LEU A 46 8.677 5.013 23.084 1.00 0.00 H ATOM 314 HB3 LEU A 46 7.067 4.262 23.176 1.00 0.00 H ATOM 315 HG LEU A 46 8.882 4.845 25.510 1.00 0.00 H ATOM 316 HD21 LEU A 46 6.027 3.849 25.457 1.00 0.00 H ATOM 317 HD22 LEU A 46 7.466 2.931 25.965 1.00 0.00 H ATOM 318 HD23 LEU A 46 6.935 4.347 26.906 1.00 0.00 H ATOM 319 HD11 LEU A 46 7.963 6.875 24.427 1.00 0.00 H ATOM 320 HD12 LEU A 46 6.326 6.177 24.497 1.00 0.00 H ATOM 321 HD13 LEU A 46 7.177 6.603 26.002 1.00 0.00 H ATOM 322 H LEU A 46 10.650 3.789 23.627 1.00 0.00 H ATOM 323 N TYR A 47 7.484 1.657 21.733 1.00 16.22 N ATOM 324 CA TYR A 47 7.114 1.249 20.384 1.00 14.73 C ATOM 325 C TYR A 47 5.626 1.495 20.134 1.00 15.31 C ATOM 326 O TYR A 47 4.804 1.247 21.007 1.00 19.24 O ATOM 327 CB TYR A 47 7.427 -0.238 20.172 1.00 18.49 C ATOM 328 CG TYR A 47 8.902 -0.548 20.192 1.00 17.36 C ATOM 329 CD1 TYR A 47 9.582 -0.676 21.388 1.00 15.11 C ATOM 330 CD2 TYR A 47 9.616 -0.685 19.009 1.00 21.23 C ATOM 331 CE1 TYR A 47 10.945 -0.951 21.414 1.00 14.49 C ATOM 332 CE2 TYR A 47 10.973 -0.975 19.021 1.00 25.66 C ATOM 333 CZ TYR A 47 11.628 -1.105 20.227 1.00 22.01 C ATOM 334 OH TYR A 47 12.972 -1.385 20.249 1.00 21.80 O ATOM 335 HA TYR A 47 7.695 1.845 19.680 1.00 0.00 H ATOM 336 HB3 TYR A 47 7.023 -0.542 19.207 1.00 0.00 H ATOM 337 HB2 TYR A 47 6.943 -0.810 20.964 1.00 0.00 H ATOM 338 HD2 TYR A 47 9.102 -0.563 18.055 1.00 0.00 H ATOM 339 HE2 TYR A 47 11.517 -1.099 18.084 1.00 0.00 H ATOM 340 HE1 TYR A 47 11.469 -1.044 22.365 1.00 0.00 H ATOM 341 HD1 TYR A 47 9.041 -0.559 22.327 1.00 0.00 H ATOM 342 HH TYR A 47 13.280 -1.444 21.188 1.00 0.00 H ATOM 343 H TYR A 47 6.934 1.297 22.539 1.00 0.00 H ATOM 344 N LEU A 48 5.290 1.973 18.940 1.00 19.12 N ATOM 345 CA LEU A 48 3.897 2.244 18.576 1.00 19.29 C ATOM 346 C LEU A 48 3.159 0.940 18.272 1.00 26.89 C ATOM 347 O LEU A 48 3.664 0.075 17.553 1.00 25.51 O ATOM 348 CB LEU A 48 3.836 3.189 17.371 1.00 26.78 C ATOM 349 CG LEU A 48 2.467 3.601 16.819 1.00 34.36 C ATOM 350 CD1 LEU A 48 1.724 4.502 17.792 1.00 30.97 C ATOM 351 CD2 LEU A 48 2.634 4.295 15.478 1.00 39.97 C ATOM 352 HA LEU A 48 3.406 2.727 19.421 1.00 0.00 H ATOM 353 HB2 LEU A 48 4.355 4.104 17.656 1.00 0.00 H ATOM 354 HB3 LEU A 48 4.376 2.705 16.557 1.00 0.00 H ATOM 355 HG LEU A 48 1.872 2.698 16.683 1.00 0.00 H ATOM 356 HD21 LEU A 48 3.252 5.184 15.605 1.00 0.00 H ATOM 357 HD22 LEU A 48 3.114 3.614 14.775 1.00 0.00 H ATOM 358 HD23 LEU A 48 1.655 4.583 15.095 1.00 0.00 H ATOM 359 HD11 LEU A 48 1.573 3.972 18.733 1.00 0.00 H ATOM 360 HD12 LEU A 48 2.311 5.403 17.971 1.00 0.00 H ATOM 361 HD13 LEU A 48 0.758 4.774 17.368 1.00 0.00 H ATOM 362 H LEU A 48 6.039 2.160 18.243 1.00 0.00 H ATOM 363 N GLY A 49 1.969 0.797 18.840 1.00 23.57 N ATOM 364 CA GLY A 49 1.198 -0.401 18.643 1.00 22.39 C ATOM 365 C GLY A 49 -0.282 -0.123 18.747 1.00 23.83 C ATOM 366 O GLY A 49 -0.707 1.016 18.953 1.00 19.99 O ATOM 367 HA3 GLY A 49 1.477 -1.132 19.402 1.00 0.00 H ATOM 368 HA2 GLY A 49 1.415 -0.805 17.654 1.00 0.00 H ATOM 369 H GLY A 49 1.589 1.560 19.435 1.00 0.00 H ATOM 370 N THR A 50 -1.071 -1.182 18.614 1.00 20.74 N ATOM 371 CA THR A 50 -2.520 -1.068 18.704 1.00 21.09 C ATOM 372 C THR A 50 -3.039 -2.105 19.655 1.00 21.85 C ATOM 373 O THR A 50 -2.663 -3.273 19.563 1.00 22.50 O ATOM 374 CB THR A 50 -3.180 -1.297 17.339 1.00 25.06 C ATOM 375 OG1 THR A 50 -2.663 -0.348 16.397 1.00 27.68 O ATOM 376 CG2 THR A 50 -4.692 -1.146 17.454 1.00 25.69 C ATOM 377 HA THR A 50 -2.759 -0.063 19.052 1.00 0.00 H ATOM 378 HB THR A 50 -2.957 -2.307 16.997 1.00 0.00 H ATOM 379 HG1 THR A 50 -2.861 0.569 16.712 1.00 0.00 H ATOM 380 HG23 THR A 50 -5.075 -1.871 18.172 1.00 0.00 H ATOM 381 HG21 THR A 50 -4.930 -0.138 17.792 1.00 0.00 H ATOM 382 HG22 THR A 50 -5.149 -1.321 16.480 1.00 0.00 H ATOM 383 H THR A 50 -0.645 -2.115 18.442 1.00 0.00 H ATOM 384 N ILE A 51 -3.897 -1.692 20.575 1.00 19.20 N ATOM 385 CA ILE A 51 -4.461 -2.642 21.516 1.00 23.37 C ATOM 386 C ILE A 51 -5.448 -3.609 20.840 1.00 23.86 C ATOM 387 O ILE A 51 -6.378 -3.195 20.150 1.00 23.37 O ATOM 388 CB ILE A 51 -5.100 -1.930 22.724 1.00 18.29 C ATOM 389 CG1 ILE A 51 -4.022 -1.214 23.535 1.00 14.91 C ATOM 390 CG2 ILE A 51 -5.823 -2.927 23.625 1.00 17.04 C ATOM 391 CD1 ILE A 51 -4.575 -0.381 24.678 1.00 20.49 C ATOM 392 HA ILE A 51 -3.635 -3.246 21.892 1.00 0.00 H ATOM 393 HB ILE A 51 -5.823 -1.207 22.347 1.00 0.00 H ATOM 394 HG12 ILE A 51 -3.347 -1.963 23.949 1.00 0.00 H ATOM 395 HG13 ILE A 51 -3.467 -0.557 22.866 1.00 0.00 H ATOM 396 HD11 ILE A 51 -5.244 0.382 24.280 1.00 0.00 H ATOM 397 HD12 ILE A 51 -5.125 -1.026 25.363 1.00 0.00 H ATOM 398 HD13 ILE A 51 -3.752 0.097 25.209 1.00 0.00 H ATOM 399 HG21 ILE A 51 -6.608 -3.426 23.056 1.00 0.00 H ATOM 400 HG22 ILE A 51 -5.111 -3.667 23.990 1.00 0.00 H ATOM 401 HG23 ILE A 51 -6.265 -2.398 24.469 1.00 0.00 H ATOM 402 H ILE A 51 -4.166 -0.689 20.623 1.00 0.00 H ATOM 403 N LYS A 52 -5.221 -4.901 21.041 1.00 25.42 N ATOM 404 CA LYS A 52 -6.089 -5.942 20.499 1.00 29.61 C ATOM 405 C LYS A 52 -7.058 -6.460 21.564 1.00 26.14 C ATOM 406 O LYS A 52 -8.226 -6.724 21.285 1.00 28.67 O ATOM 407 CB LYS A 52 -5.249 -7.099 19.946 1.00 20.72 C ATOM 408 CG LYS A 52 -4.483 -6.761 18.687 1.00 27.27 C ATOM 409 CD LYS A 52 -5.450 -6.249 17.635 1.00 42.74 C ATOM 410 CE LYS A 52 -4.733 -5.620 16.461 1.00 52.66 C ATOM 411 NZ LYS A 52 -5.712 -5.063 15.482 1.00 60.92 N ATOM 412 HA LYS A 52 -6.673 -5.506 19.689 1.00 0.00 H ATOM 413 HB2 LYS A 52 -4.534 -7.399 20.712 1.00 0.00 H ATOM 414 HB3 LYS A 52 -5.916 -7.933 19.727 1.00 0.00 H ATOM 415 HG2 LYS A 52 -3.742 -5.992 18.906 1.00 0.00 H ATOM 416 HG3 LYS A 52 -3.979 -7.654 18.316 1.00 0.00 H ATOM 417 HD2 LYS A 52 -6.051 -7.083 17.274 1.00 0.00 H ATOM 418 HD3 LYS A 52 -6.102 -5.503 18.090 1.00 0.00 H ATOM 419 HE2 LYS A 52 -4.123 -6.376 15.967 1.00 0.00 H ATOM 420 HE3 LYS A 52 -4.091 -4.817 16.822 1.00 0.00 H ATOM 421 HZ1 LYS A 52 -6.324 -5.828 15.132 1.00 0.00 H ATOM 422 HZ2 LYS A 52 -6.293 -4.338 15.949 1.00 0.00 H ATOM 423 HZ3 LYS A 52 -5.198 -4.636 14.685 1.00 0.00 H ATOM 424 H LYS A 52 -4.394 -5.182 21.606 1.00 0.00 H ATOM 425 N LYS A 53 -6.564 -6.594 22.789 1.00 20.94 N ATOM 426 CA LYS A 53 -7.361 -7.104 23.892 1.00 24.85 C ATOM 427 C LYS A 53 -6.948 -6.436 25.185 1.00 26.89 C ATOM 428 O LYS A 53 -5.765 -6.195 25.422 1.00 26.09 O ATOM 429 CB LYS A 53 -7.163 -8.622 24.050 1.00 28.56 C ATOM 430 CG LYS A 53 -7.547 -9.452 22.836 1.00 37.85 C ATOM 431 CD LYS A 53 -9.058 -9.488 22.649 1.00 37.82 C ATOM 432 CE LYS A 53 -9.430 -10.202 21.366 1.00 41.78 C ATOM 433 NZ LYS A 53 -10.894 -10.187 21.151 1.00 52.64 N ATOM 434 HA LYS A 53 -8.407 -6.890 23.674 1.00 0.00 H ATOM 435 HB2 LYS A 53 -6.110 -8.805 24.265 1.00 0.00 H ATOM 436 HB3 LYS A 53 -7.768 -8.956 24.893 1.00 0.00 H ATOM 437 HG2 LYS A 53 -7.089 -9.017 21.948 1.00 0.00 H ATOM 438 HG3 LYS A 53 -7.181 -10.470 22.970 1.00 0.00 H ATOM 439 HD2 LYS A 53 -9.509 -10.011 23.492 1.00 0.00 H ATOM 440 HD3 LYS A 53 -9.437 -8.467 22.612 1.00 0.00 H ATOM 441 HE2 LYS A 53 -9.089 -11.236 21.422 1.00 0.00 H ATOM 442 HE3 LYS A 53 -8.942 -9.705 20.528 1.00 0.00 H ATOM 443 HZ1 LYS A 53 -11.365 -10.665 21.946 1.00 0.00 H ATOM 444 HZ2 LYS A 53 -11.224 -9.203 21.092 1.00 0.00 H ATOM 445 HZ3 LYS A 53 -11.118 -10.683 20.265 1.00 0.00 H ATOM 446 H LYS A 53 -5.575 -6.325 22.965 1.00 0.00 H ATOM 447 N VAL A 54 -7.929 -6.168 26.035 1.00 24.21 N ATOM 448 CA VAL A 54 -7.695 -5.645 27.380 1.00 28.70 C ATOM 449 C VAL A 54 -7.987 -6.706 28.441 1.00 35.45 C ATOM 450 O VAL A 54 -9.101 -7.221 28.516 1.00 35.95 O ATOM 451 CB VAL A 54 -8.578 -4.411 27.662 1.00 25.37 C ATOM 452 CG1 VAL A 54 -8.404 -3.952 29.094 1.00 28.43 C ATOM 453 CG2 VAL A 54 -8.243 -3.302 26.691 1.00 24.24 C ATOM 454 HA VAL A 54 -6.645 -5.358 27.429 1.00 0.00 H ATOM 455 HB VAL A 54 -9.624 -4.684 27.523 1.00 0.00 H ATOM 456 HG11 VAL A 54 -8.693 -4.757 29.770 1.00 0.00 H ATOM 457 HG12 VAL A 54 -7.360 -3.688 29.265 1.00 0.00 H ATOM 458 HG13 VAL A 54 -9.034 -3.081 29.274 1.00 0.00 H ATOM 459 HG21 VAL A 54 -7.194 -3.026 26.804 1.00 0.00 H ATOM 460 HG22 VAL A 54 -8.422 -3.646 25.672 1.00 0.00 H ATOM 461 HG23 VAL A 54 -8.872 -2.436 26.899 1.00 0.00 H ATOM 462 H VAL A 54 -8.909 -6.337 25.732 1.00 0.00 H ATOM 463 N ASP A 55 -6.982 -7.022 29.257 1.00 28.30 N ATOM 464 CA ASP A 55 -7.102 -8.032 30.312 1.00 32.71 C ATOM 465 C ASP A 55 -7.066 -7.353 31.680 1.00 24.61 C ATOM 466 O ASP A 55 -5.998 -7.030 32.184 1.00 28.40 O ATOM 467 CB ASP A 55 -5.947 -9.037 30.188 1.00 32.10 C ATOM 468 CG ASP A 55 -6.084 -10.237 31.118 1.00 33.55 C ATOM 469 OD1 ASP A 55 -5.506 -11.292 30.788 1.00 33.02 O ATOM 470 OD2 ASP A 55 -6.745 -10.137 32.171 1.00 33.61 O ATOM 471 HA ASP A 55 -8.049 -8.561 30.207 1.00 0.00 H ATOM 472 HB2 ASP A 55 -5.912 -9.399 29.160 1.00 0.00 H ATOM 473 HB3 ASP A 55 -5.015 -8.523 30.422 1.00 0.00 H ATOM 474 H ASP A 55 -6.073 -6.530 29.140 1.00 0.00 H ATOM 475 N SER A 56 -8.234 -7.158 32.289 1.00 26.69 N ATOM 476 CA SER A 56 -8.322 -6.469 33.580 1.00 34.45 C ATOM 477 C SER A 56 -7.822 -7.322 34.737 1.00 38.98 C ATOM 478 O SER A 56 -7.354 -6.796 35.751 1.00 37.36 O ATOM 479 CB SER A 56 -9.754 -6.009 33.855 1.00 39.92 C ATOM 480 OG SER A 56 -10.233 -5.207 32.791 1.00 41.05 O ATOM 481 HA SER A 56 -7.669 -5.599 33.509 1.00 0.00 H ATOM 482 HB2 SER A 56 -9.773 -5.429 34.778 1.00 0.00 H ATOM 483 HB3 SER A 56 -10.397 -6.883 33.963 1.00 0.00 H ATOM 484 HG SER A 56 -10.220 -5.732 31.952 1.00 0.00 H ATOM 485 H SER A 56 -9.105 -7.503 31.838 1.00 0.00 H ATOM 486 N ALA A 57 -7.923 -8.639 34.578 1.00 40.49 N ATOM 487 CA ALA A 57 -7.446 -9.581 35.584 1.00 37.49 C ATOM 488 C ALA A 57 -5.938 -9.461 35.806 1.00 37.63 C ATOM 489 O ALA A 57 -5.480 -9.282 36.934 1.00 38.94 O ATOM 490 CB ALA A 57 -7.805 -11.006 35.180 1.00 37.76 C ATOM 491 HA ALA A 57 -7.938 -9.336 36.525 1.00 0.00 H ATOM 492 HB1 ALA A 57 -8.888 -11.095 35.091 1.00 0.00 H ATOM 493 HB2 ALA A 57 -7.340 -11.239 34.222 1.00 0.00 H ATOM 494 HB3 ALA A 57 -7.443 -11.700 35.939 1.00 0.00 H ATOM 495 H ALA A 57 -8.356 -9.009 33.708 1.00 0.00 H ATOM 496 N ARG A 58 -5.167 -9.560 34.726 1.00 32.50 N ATOM 497 CA ARG A 58 -3.707 -9.529 34.829 1.00 26.14 C ATOM 498 C ARG A 58 -3.151 -8.115 34.595 1.00 28.50 C ATOM 499 O ARG A 58 -1.946 -7.893 34.662 1.00 27.86 O ATOM 500 CB ARG A 58 -3.093 -10.545 33.866 1.00 32.24 C ATOM 501 CG ARG A 58 -3.634 -11.979 34.093 1.00 34.87 C ATOM 502 CD ARG A 58 -2.901 -13.025 33.272 1.00 35.21 C ATOM 503 NE ARG A 58 -3.212 -12.953 31.848 1.00 34.91 N ATOM 504 CZ ARG A 58 -2.584 -13.665 30.911 1.00 42.80 C ATOM 505 NH1 ARG A 58 -1.606 -14.499 31.248 1.00 39.71 N ATOM 506 NH2 ARG A 58 -2.924 -13.540 29.636 1.00 41.70 N ATOM 507 HA ARG A 58 -3.428 -9.808 35.845 1.00 0.00 H ATOM 508 HB2 ARG A 58 -3.323 -10.242 32.844 1.00 0.00 H ATOM 509 HB3 ARG A 58 -2.012 -10.552 34.007 1.00 0.00 H ATOM 510 HG2 ARG A 58 -3.527 -12.228 35.149 1.00 0.00 H ATOM 511 HG3 ARG A 58 -4.689 -12.000 33.821 1.00 0.00 H ATOM 512 HD2 ARG A 58 -3.179 -14.013 33.639 1.00 0.00 H ATOM 513 HD3 ARG A 58 -1.829 -12.880 33.401 1.00 0.00 H ATOM 514 HE ARG A 58 -3.969 -12.307 31.545 1.00 0.00 H ATOM 515 HH12 ARG A 58 -1.119 -15.052 30.515 1.00 0.00 H ATOM 516 HH11 ARG A 58 -1.328 -14.598 32.245 1.00 0.00 H ATOM 517 HH22 ARG A 58 -2.431 -14.097 28.909 1.00 0.00 H ATOM 518 HH21 ARG A 58 -3.684 -12.884 29.362 1.00 0.00 H ATOM 519 H ARG A 58 -5.610 -9.661 33.791 1.00 0.00 H ATOM 520 N GLU A 59 -4.037 -7.163 34.332 1.00 27.48 N ATOM 521 CA GLU A 59 -3.620 -5.781 34.057 1.00 32.31 C ATOM 522 C GLU A 59 -2.559 -5.696 32.952 1.00 23.04 C ATOM 523 O GLU A 59 -1.478 -5.118 33.120 1.00 22.03 O ATOM 524 CB GLU A 59 -3.159 -5.087 35.340 1.00 27.50 C ATOM 525 CG GLU A 59 -4.310 -4.756 36.276 1.00 39.39 C ATOM 526 CD GLU A 59 -3.843 -4.204 37.609 1.00 53.37 C ATOM 527 OE1 GLU A 59 -3.526 -5.016 38.503 1.00 57.90 O ATOM 528 OE2 GLU A 59 -3.788 -2.964 37.760 1.00 60.97 O ATOM 529 HA GLU A 59 -4.494 -5.249 33.680 1.00 0.00 H ATOM 530 HB2 GLU A 59 -2.463 -5.745 35.862 1.00 0.00 H ATOM 531 HB3 GLU A 59 -2.650 -4.161 35.072 1.00 0.00 H ATOM 532 HG2 GLU A 59 -4.948 -4.014 35.796 1.00 0.00 H ATOM 533 HG3 GLU A 59 -4.885 -5.664 36.457 1.00 0.00 H ATOM 534 H GLU A 59 -5.050 -7.400 34.320 1.00 0.00 H ATOM 535 N VAL A 60 -2.894 -6.291 31.816 1.00 18.74 N ATOM 536 CA VAL A 60 -2.073 -6.236 30.634 1.00 24.87 C ATOM 537 C VAL A 60 -3.003 -6.017 29.460 1.00 21.45 C ATOM 538 O VAL A 60 -4.226 -6.143 29.582 1.00 21.43 O ATOM 539 CB VAL A 60 -1.300 -7.568 30.409 1.00 21.76 C ATOM 540 CG1 VAL A 60 -0.215 -7.747 31.462 1.00 24.36 C ATOM 541 CG2 VAL A 60 -2.272 -8.745 30.425 1.00 17.12 C ATOM 542 HA VAL A 60 -1.339 -5.437 30.740 1.00 0.00 H ATOM 543 HB VAL A 60 -0.815 -7.530 29.433 1.00 0.00 H ATOM 544 HG11 VAL A 60 0.489 -6.917 31.402 1.00 0.00 H ATOM 545 HG12 VAL A 60 -0.671 -7.767 32.452 1.00 0.00 H ATOM 546 HG13 VAL A 60 0.311 -8.685 31.284 1.00 0.00 H ATOM 547 HG21 VAL A 60 -2.779 -8.783 31.389 1.00 0.00 H ATOM 548 HG22 VAL A 60 -3.008 -8.618 29.631 1.00 0.00 H ATOM 549 HG23 VAL A 60 -1.721 -9.672 30.267 1.00 0.00 H ATOM 550 H VAL A 60 -3.788 -6.820 31.776 1.00 0.00 H ATOM 551 N CYS A 61 -2.407 -5.686 28.325 1.00 20.16 N ATOM 552 CA CYS A 61 -3.099 -5.644 27.065 1.00 17.45 C ATOM 553 C CYS A 61 -2.308 -6.456 26.068 1.00 18.18 C ATOM 554 O CYS A 61 -1.083 -6.425 26.079 1.00 17.54 O ATOM 555 CB CYS A 61 -3.176 -4.210 26.553 1.00 22.81 C ATOM 556 SG CYS A 61 -4.373 -3.181 27.396 1.00 22.46 S ATOM 557 HA CYS A 61 -4.107 -6.038 27.192 1.00 0.00 H ATOM 558 HB2 CYS A 61 -3.438 -4.240 25.495 1.00 0.00 H ATOM 559 HB3 CYS A 61 -2.193 -3.754 26.670 1.00 0.00 H ATOM 560 HG CYS A 61 -4.353 -1.914 26.850 1.00 0.00 H ATOM 561 H CYS A 61 -1.395 -5.446 28.346 1.00 0.00 H ATOM 562 N LEU A 62 -3.009 -7.172 25.198 1.00 19.47 N ATOM 563 CA LEU A 62 -2.372 -7.757 24.022 1.00 22.31 C ATOM 564 C LEU A 62 -2.186 -6.627 23.012 1.00 23.76 C ATOM 565 O LEU A 62 -3.162 -6.031 22.568 1.00 21.70 O ATOM 566 CB LEU A 62 -3.256 -8.861 23.422 1.00 24.95 C ATOM 567 CG LEU A 62 -2.680 -9.631 22.230 1.00 22.76 C ATOM 568 CD1 LEU A 62 -1.384 -10.325 22.619 1.00 22.90 C ATOM 569 CD2 LEU A 62 -3.697 -10.630 21.691 1.00 26.15 C ATOM 570 HA LEU A 62 -1.417 -8.210 24.287 1.00 0.00 H ATOM 571 HB2 LEU A 62 -3.466 -9.583 24.212 1.00 0.00 H ATOM 572 HB3 LEU A 62 -4.188 -8.398 23.098 1.00 0.00 H ATOM 573 HG LEU A 62 -2.457 -8.919 21.435 1.00 0.00 H ATOM 574 HD21 LEU A 62 -3.959 -11.339 22.476 1.00 0.00 H ATOM 575 HD22 LEU A 62 -4.591 -10.097 21.368 1.00 0.00 H ATOM 576 HD23 LEU A 62 -3.266 -11.165 20.845 1.00 0.00 H ATOM 577 HD11 LEU A 62 -0.658 -9.580 22.944 1.00 0.00 H ATOM 578 HD12 LEU A 62 -1.578 -11.024 23.432 1.00 0.00 H ATOM 579 HD13 LEU A 62 -0.991 -10.866 21.759 1.00 0.00 H ATOM 580 H LEU A 62 -4.026 -7.318 25.356 1.00 0.00 H ATOM 581 N VAL A 63 -0.936 -6.318 22.678 1.00 19.45 N ATOM 582 CA VAL A 63 -0.641 -5.211 21.778 1.00 18.10 C ATOM 583 C VAL A 63 -0.002 -5.731 20.507 1.00 26.14 C ATOM 584 O VAL A 63 0.881 -6.601 20.555 1.00 26.44 O ATOM 585 CB VAL A 63 0.303 -4.188 22.419 1.00 20.62 C ATOM 586 CG1 VAL A 63 0.548 -3.022 21.452 1.00 22.56 C ATOM 587 CG2 VAL A 63 -0.289 -3.685 23.715 1.00 22.53 C ATOM 588 HA VAL A 63 -1.587 -4.718 21.555 1.00 0.00 H ATOM 589 HB VAL A 63 1.258 -4.667 22.634 1.00 0.00 H ATOM 590 HG11 VAL A 63 0.998 -3.401 20.535 1.00 0.00 H ATOM 591 HG12 VAL A 63 -0.401 -2.539 21.220 1.00 0.00 H ATOM 592 HG13 VAL A 63 1.220 -2.301 21.917 1.00 0.00 H ATOM 593 HG21 VAL A 63 -1.250 -3.212 23.514 1.00 0.00 H ATOM 594 HG22 VAL A 63 -0.430 -4.523 24.398 1.00 0.00 H ATOM 595 HG23 VAL A 63 0.388 -2.958 24.164 1.00 0.00 H ATOM 596 H VAL A 63 -0.152 -6.879 23.068 1.00 0.00 H ATOM 597 N GLN A 64 -0.465 -5.203 19.373 1.00 22.16 N ATOM 598 CA GLN A 64 0.086 -5.566 18.081 1.00 24.31 C ATOM 599 C GLN A 64 1.039 -4.482 17.609 1.00 27.58 C ATOM 600 O GLN A 64 0.723 -3.296 17.649 1.00 24.14 O ATOM 601 CB GLN A 64 -1.029 -5.764 17.056 1.00 22.32 C ATOM 602 CG GLN A 64 -0.518 -6.173 15.701 1.00 21.04 C ATOM 603 CD GLN A 64 -1.620 -6.231 14.662 1.00 37.14 C ATOM 604 OE1 GLN A 64 -2.318 -5.244 14.413 1.00 45.76 O ATOM 605 NE2 GLN A 64 -1.785 -7.391 14.053 1.00 36.88 N ATOM 606 HA GLN A 64 0.629 -6.506 18.184 1.00 0.00 H ATOM 607 HB2 GLN A 64 -1.703 -6.539 17.421 1.00 0.00 H ATOM 608 HB3 GLN A 64 -1.576 -4.827 16.953 1.00 0.00 H ATOM 609 HG2 GLN A 64 0.232 -5.451 15.377 1.00 0.00 H ATOM 610 HG3 GLN A 64 -0.060 -7.159 15.782 1.00 0.00 H ATOM 611 HE22 GLN A 64 -1.173 -8.197 14.295 1.00 0.00 H ATOM 612 HE21 GLN A 64 -2.527 -7.499 13.332 1.00 0.00 H ATOM 613 H GLN A 64 -1.242 -4.513 19.416 1.00 0.00 H ATOM 614 N PHE A 65 2.212 -4.894 17.154 1.00 25.87 N ATOM 615 CA PHE A 65 3.218 -3.937 16.736 1.00 22.33 C ATOM 616 C PHE A 65 3.340 -3.860 15.222 1.00 23.42 C ATOM 617 O PHE A 65 2.632 -4.562 14.492 1.00 26.09 O ATOM 618 CB PHE A 65 4.552 -4.253 17.422 1.00 18.08 C ATOM 619 CG PHE A 65 4.485 -4.127 18.915 1.00 20.33 C ATOM 620 CD1 PHE A 65 4.666 -2.898 19.524 1.00 23.99 C ATOM 621 CD2 PHE A 65 4.165 -5.216 19.704 1.00 23.12 C ATOM 622 CE1 PHE A 65 4.574 -2.766 20.897 1.00 25.29 C ATOM 623 CE2 PHE A 65 4.069 -5.089 21.076 1.00 20.99 C ATOM 624 CZ PHE A 65 4.278 -3.859 21.673 1.00 26.01 C ATOM 625 HA PHE A 65 2.905 -2.942 17.053 1.00 0.00 H ATOM 626 HB2 PHE A 65 4.839 -5.274 17.171 1.00 0.00 H ATOM 627 HB3 PHE A 65 5.308 -3.562 17.048 1.00 0.00 H ATOM 628 HD2 PHE A 65 3.987 -6.185 19.238 1.00 0.00 H ATOM 629 HE2 PHE A 65 3.829 -5.958 21.688 1.00 0.00 H ATOM 630 HZ PHE A 65 4.208 -3.758 22.756 1.00 0.00 H ATOM 631 HE1 PHE A 65 4.736 -1.794 21.363 1.00 0.00 H ATOM 632 HD1 PHE A 65 4.884 -2.022 18.913 1.00 0.00 H ATOM 633 H PHE A 65 2.414 -5.913 17.096 1.00 0.00 H ATOM 634 N GLU A 66 4.240 -3.001 14.763 1.00 24.98 N ATOM 635 CA GLU A 66 4.356 -2.673 13.347 1.00 29.20 C ATOM 636 C GLU A 66 4.756 -3.874 12.487 1.00 28.03 C ATOM 637 O GLU A 66 4.435 -3.927 11.300 1.00 31.01 O ATOM 638 CB GLU A 66 5.362 -1.530 13.163 1.00 35.26 C ATOM 639 CG GLU A 66 5.049 -0.596 12.012 1.00 53.11 C ATOM 640 CD GLU A 66 5.903 -0.853 10.784 1.00 68.33 C ATOM 641 OE1 GLU A 66 6.831 -0.052 10.524 1.00 71.82 O ATOM 642 OE2 GLU A 66 5.641 -1.844 10.070 1.00 75.37 O ATOM 643 HA GLU A 66 3.369 -2.361 13.006 1.00 0.00 H ATOM 644 HB2 GLU A 66 5.383 -0.944 14.082 1.00 0.00 H ATOM 645 HB3 GLU A 66 6.346 -1.967 12.990 1.00 0.00 H ATOM 646 HG2 GLU A 66 4.001 -0.722 11.738 1.00 0.00 H ATOM 647 HG3 GLU A 66 5.216 0.429 12.342 1.00 0.00 H ATOM 648 H GLU A 66 4.887 -2.545 15.438 1.00 0.00 H ATOM 649 N ASP A 67 5.461 -4.829 13.086 1.00 24.19 N ATOM 650 CA ASP A 67 5.901 -6.028 12.370 1.00 25.73 C ATOM 651 C ASP A 67 4.880 -7.150 12.508 1.00 25.30 C ATOM 652 O ASP A 67 5.162 -8.305 12.185 1.00 24.82 O ATOM 653 CB ASP A 67 7.269 -6.493 12.882 1.00 27.71 C ATOM 654 CG ASP A 67 7.224 -6.963 14.331 1.00 30.80 C ATOM 655 OD1 ASP A 67 6.263 -6.616 15.058 1.00 28.10 O ATOM 656 OD2 ASP A 67 8.158 -7.673 14.754 1.00 29.36 O ATOM 657 HA ASP A 67 5.992 -5.773 11.314 1.00 0.00 H ATOM 658 HB2 ASP A 67 7.614 -7.317 12.258 1.00 0.00 H ATOM 659 HB3 ASP A 67 7.971 -5.663 12.806 1.00 0.00 H ATOM 660 H ASP A 67 5.707 -4.721 14.091 1.00 0.00 H ATOM 661 N ASP A 68 3.694 -6.802 12.998 1.00 26.48 N ATOM 662 CA ASP A 68 2.607 -7.762 13.151 1.00 23.64 C ATOM 663 C ASP A 68 2.768 -8.676 14.371 1.00 25.98 C ATOM 664 O ASP A 68 1.906 -9.504 14.641 1.00 28.65 O ATOM 665 CB ASP A 68 2.446 -8.595 11.867 1.00 27.23 C ATOM 666 CG ASP A 68 1.004 -8.983 11.599 1.00 45.31 C ATOM 667 OD1 ASP A 68 0.197 -8.076 11.303 1.00 49.69 O ATOM 668 OD2 ASP A 68 0.682 -10.195 11.665 1.00 49.44 O ATOM 669 HA ASP A 68 1.702 -7.180 13.325 1.00 0.00 H ATOM 670 HB2 ASP A 68 2.813 -8.011 11.023 1.00 0.00 H ATOM 671 HB3 ASP A 68 3.040 -9.504 11.964 1.00 0.00 H ATOM 672 H ASP A 68 3.537 -5.814 13.281 1.00 0.00 H ATOM 673 N SER A 69 3.865 -8.539 15.111 1.00 22.20 N ATOM 674 CA SER A 69 4.003 -9.310 16.349 1.00 22.15 C ATOM 675 C SER A 69 2.977 -8.845 17.387 1.00 22.67 C ATOM 676 O SER A 69 2.522 -7.704 17.365 1.00 20.98 O ATOM 677 CB SER A 69 5.428 -9.240 16.921 1.00 19.98 C ATOM 678 OG SER A 69 5.763 -7.928 17.330 1.00 22.72 O ATOM 679 HA SER A 69 3.808 -10.354 16.105 1.00 0.00 H ATOM 680 HB2 SER A 69 6.133 -9.562 16.155 1.00 0.00 H ATOM 681 HB3 SER A 69 5.497 -9.907 17.780 1.00 0.00 H ATOM 682 HG SER A 69 5.708 -7.317 16.553 1.00 0.00 H ATOM 683 H SER A 69 4.620 -7.889 14.813 1.00 0.00 H ATOM 684 N GLN A 70 2.602 -9.748 18.280 1.00 21.88 N ATOM 685 CA GLN A 70 1.656 -9.435 19.336 1.00 18.67 C ATOM 686 C GLN A 70 2.198 -9.920 20.668 1.00 22.43 C ATOM 687 O GLN A 70 2.604 -11.075 20.797 1.00 19.17 O ATOM 688 CB GLN A 70 0.302 -10.083 19.045 1.00 29.50 C ATOM 689 CG GLN A 70 -0.395 -9.534 17.803 1.00 32.48 C ATOM 690 CD GLN A 70 -1.765 -10.152 17.593 1.00 39.23 C ATOM 691 OE1 GLN A 70 -2.661 -10.000 18.425 1.00 34.23 O ATOM 692 NE2 GLN A 70 -1.930 -10.863 16.485 1.00 43.87 N ATOM 693 HA GLN A 70 1.517 -8.355 19.381 1.00 0.00 H ATOM 694 HB2 GLN A 70 0.456 -11.153 18.907 1.00 0.00 H ATOM 695 HB3 GLN A 70 -0.348 -9.919 19.904 1.00 0.00 H ATOM 696 HG2 GLN A 70 -0.509 -8.456 17.912 1.00 0.00 H ATOM 697 HG3 GLN A 70 0.223 -9.746 16.931 1.00 0.00 H ATOM 698 HE22 GLN A 70 -1.145 -10.964 15.810 1.00 0.00 H ATOM 699 HE21 GLN A 70 -2.844 -11.319 16.291 1.00 0.00 H ATOM 700 H GLN A 70 2.996 -10.709 18.223 1.00 0.00 H ATOM 701 N PHE A 71 2.224 -9.024 21.652 1.00 17.02 N ATOM 702 CA PHE A 71 2.712 -9.345 22.989 1.00 19.41 C ATOM 703 C PHE A 71 1.822 -8.728 24.064 1.00 23.27 C ATOM 704 O PHE A 71 1.191 -7.690 23.848 1.00 23.31 O ATOM 705 CB PHE A 71 4.144 -8.835 23.202 1.00 19.04 C ATOM 706 CG PHE A 71 5.178 -9.491 22.323 1.00 19.21 C ATOM 707 CD1 PHE A 71 5.779 -10.682 22.701 1.00 22.13 C ATOM 708 CD2 PHE A 71 5.561 -8.904 21.129 1.00 17.30 C ATOM 709 CE1 PHE A 71 6.739 -11.276 21.899 1.00 26.81 C ATOM 710 CE2 PHE A 71 6.528 -9.484 20.327 1.00 21.71 C ATOM 711 CZ PHE A 71 7.115 -10.674 20.705 1.00 23.33 C ATOM 712 HA PHE A 71 2.695 -10.432 23.072 1.00 0.00 H ATOM 713 HB2 PHE A 71 4.157 -7.763 23.003 1.00 0.00 H ATOM 714 HB3 PHE A 71 4.418 -9.013 24.242 1.00 0.00 H ATOM 715 HD2 PHE A 71 5.094 -7.970 20.816 1.00 0.00 H ATOM 716 HE2 PHE A 71 6.826 -9.001 19.397 1.00 0.00 H ATOM 717 HZ PHE A 71 7.869 -11.139 20.070 1.00 0.00 H ATOM 718 HE1 PHE A 71 7.199 -12.216 22.205 1.00 0.00 H ATOM 719 HD1 PHE A 71 5.493 -11.156 23.640 1.00 0.00 H ATOM 720 H PHE A 71 1.884 -8.060 21.461 1.00 0.00 H ATOM 721 N LEU A 72 1.787 -9.372 25.224 1.00 19.33 N ATOM 722 CA LEU A 72 1.148 -8.810 26.401 1.00 17.83 C ATOM 723 C LEU A 72 2.052 -7.744 27.021 1.00 25.62 C ATOM 724 O LEU A 72 3.260 -7.944 27.204 1.00 19.19 O ATOM 725 CB LEU A 72 0.843 -9.882 27.437 1.00 21.59 C ATOM 726 CG LEU A 72 -0.105 -11.004 27.003 1.00 20.68 C ATOM 727 CD1 LEU A 72 -0.167 -12.075 28.079 1.00 23.15 C ATOM 728 CD2 LEU A 72 -1.511 -10.449 26.701 1.00 16.69 C ATOM 729 HA LEU A 72 0.205 -8.362 26.088 1.00 0.00 H ATOM 730 HB2 LEU A 72 1.788 -10.341 27.727 1.00 0.00 H ATOM 731 HB3 LEU A 72 0.399 -9.390 28.302 1.00 0.00 H ATOM 732 HG LEU A 72 0.280 -11.451 26.086 1.00 0.00 H ATOM 733 HD21 LEU A 72 -1.914 -9.976 27.597 1.00 0.00 H ATOM 734 HD22 LEU A 72 -1.446 -9.714 25.898 1.00 0.00 H ATOM 735 HD23 LEU A 72 -2.165 -11.266 26.395 1.00 0.00 H ATOM 736 HD11 LEU A 72 0.830 -12.487 28.237 1.00 0.00 H ATOM 737 HD12 LEU A 72 -0.531 -11.635 29.007 1.00 0.00 H ATOM 738 HD13 LEU A 72 -0.843 -12.869 27.761 1.00 0.00 H ATOM 739 H LEU A 72 2.232 -10.310 25.292 1.00 0.00 H ATOM 740 N VAL A 73 1.452 -6.606 27.344 1.00 15.62 N ATOM 741 CA VAL A 73 2.192 -5.480 27.911 1.00 16.73 C ATOM 742 C VAL A 73 1.444 -4.990 29.147 1.00 17.29 C ATOM 743 O VAL A 73 0.215 -4.856 29.118 1.00 20.32 O ATOM 744 CB VAL A 73 2.320 -4.326 26.880 1.00 22.46 C ATOM 745 CG1 VAL A 73 3.122 -3.156 27.457 1.00 17.31 C ATOM 746 CG2 VAL A 73 2.961 -4.836 25.599 1.00 25.19 C ATOM 747 HA VAL A 73 3.198 -5.804 28.177 1.00 0.00 H ATOM 748 HB VAL A 73 1.319 -3.961 26.650 1.00 0.00 H ATOM 749 HG11 VAL A 73 2.619 -2.775 28.346 1.00 0.00 H ATOM 750 HG12 VAL A 73 4.122 -3.499 27.723 1.00 0.00 H ATOM 751 HG13 VAL A 73 3.194 -2.364 26.712 1.00 0.00 H ATOM 752 HG21 VAL A 73 3.953 -5.228 25.822 1.00 0.00 H ATOM 753 HG22 VAL A 73 2.343 -5.627 25.175 1.00 0.00 H ATOM 754 HG23 VAL A 73 3.045 -4.017 24.885 1.00 0.00 H ATOM 755 H VAL A 73 0.428 -6.512 27.190 1.00 0.00 H ATOM 756 N LEU A 74 2.175 -4.728 30.227 1.00 16.28 N ATOM 757 CA LEU A 74 1.563 -4.264 31.460 1.00 13.77 C ATOM 758 C LEU A 74 0.893 -2.915 31.205 1.00 19.58 C ATOM 759 O LEU A 74 1.433 -2.087 30.480 1.00 24.47 O ATOM 760 CB LEU A 74 2.614 -4.113 32.557 1.00 17.44 C ATOM 761 CG LEU A 74 3.319 -5.406 32.987 1.00 26.60 C ATOM 762 CD1 LEU A 74 4.491 -5.114 33.904 1.00 28.16 C ATOM 763 CD2 LEU A 74 2.339 -6.332 33.673 1.00 31.19 C ATOM 764 HA LEU A 74 0.823 -4.994 31.788 1.00 0.00 H ATOM 765 HB2 LEU A 74 3.375 -3.420 32.199 1.00 0.00 H ATOM 766 HB3 LEU A 74 2.124 -3.691 33.434 1.00 0.00 H ATOM 767 HG LEU A 74 3.704 -5.893 32.091 1.00 0.00 H ATOM 768 HD21 LEU A 74 1.930 -5.838 34.554 1.00 0.00 H ATOM 769 HD22 LEU A 74 1.530 -6.578 32.985 1.00 0.00 H ATOM 770 HD23 LEU A 74 2.853 -7.245 33.973 1.00 0.00 H ATOM 771 HD11 LEU A 74 5.210 -4.482 33.382 1.00 0.00 H ATOM 772 HD12 LEU A 74 4.133 -4.599 34.796 1.00 0.00 H ATOM 773 HD13 LEU A 74 4.969 -6.051 34.190 1.00 0.00 H ATOM 774 H LEU A 74 3.206 -4.858 30.188 1.00 0.00 H ATOM 775 N TRP A 75 -0.286 -2.711 31.789 1.00 19.12 N ATOM 776 CA TRP A 75 -0.935 -1.402 31.768 1.00 19.55 C ATOM 777 C TRP A 75 0.048 -0.284 32.111 1.00 18.37 C ATOM 778 O TRP A 75 0.027 0.783 31.486 1.00 19.92 O ATOM 779 CB TRP A 75 -2.112 -1.371 32.757 1.00 18.33 C ATOM 780 CG TRP A 75 -3.301 -2.180 32.323 1.00 25.46 C ATOM 781 CD1 TRP A 75 -3.428 -2.913 31.174 1.00 27.44 C ATOM 782 CD2 TRP A 75 -4.543 -2.320 33.025 1.00 28.46 C ATOM 783 NE1 TRP A 75 -4.673 -3.503 31.124 1.00 26.77 N ATOM 784 CE2 TRP A 75 -5.373 -3.155 32.248 1.00 27.93 C ATOM 785 CE3 TRP A 75 -5.031 -1.827 34.240 1.00 36.89 C ATOM 786 CZ2 TRP A 75 -6.665 -3.506 32.647 1.00 29.11 C ATOM 787 CZ3 TRP A 75 -6.319 -2.184 34.634 1.00 31.91 C ATOM 788 CH2 TRP A 75 -7.115 -3.012 33.837 1.00 27.89 C ATOM 789 HA TRP A 75 -1.305 -1.237 30.756 1.00 0.00 H ATOM 790 HB2 TRP A 75 -1.765 -1.759 33.715 1.00 0.00 H ATOM 791 HB3 TRP A 75 -2.429 -0.335 32.880 1.00 0.00 H ATOM 792 HE1 TRP A 75 -5.023 -4.113 30.358 1.00 0.00 H ATOM 793 HD1 TRP A 75 -2.657 -3.015 30.410 1.00 0.00 H ATOM 794 HZ2 TRP A 75 -7.291 -4.151 32.030 1.00 0.00 H ATOM 795 HH2 TRP A 75 -8.119 -3.269 34.174 1.00 0.00 H ATOM 796 HZ3 TRP A 75 -6.713 -1.811 35.580 1.00 0.00 H ATOM 797 HE3 TRP A 75 -4.417 -1.178 34.865 1.00 0.00 H ATOM 798 H TRP A 75 -0.757 -3.503 32.272 1.00 0.00 H ATOM 799 N LYS A 76 0.885 -0.523 33.121 1.00 24.10 N ATOM 800 CA LYS A 76 1.923 0.434 33.541 1.00 26.28 C ATOM 801 C LYS A 76 2.757 0.945 32.377 1.00 22.21 C ATOM 802 O LYS A 76 3.237 2.078 32.399 1.00 19.96 O ATOM 803 CB LYS A 76 2.904 -0.219 34.524 1.00 24.79 C ATOM 804 CG LYS A 76 2.293 -0.814 35.774 1.00 49.74 C ATOM 805 CD LYS A 76 3.372 -1.471 36.639 1.00 55.54 C ATOM 806 CE LYS A 76 2.799 -1.968 37.971 1.00 58.61 C ATOM 807 NZ LYS A 76 3.864 -2.498 38.884 1.00 55.66 N ATOM 808 HA LYS A 76 1.382 1.261 34.000 1.00 0.00 H ATOM 809 HB2 LYS A 76 3.425 -1.017 33.995 1.00 0.00 H ATOM 810 HB3 LYS A 76 3.622 0.540 34.833 1.00 0.00 H ATOM 811 HG2 LYS A 76 1.806 -0.024 36.346 1.00 0.00 H ATOM 812 HG3 LYS A 76 1.555 -1.564 35.490 1.00 0.00 H ATOM 813 HD2 LYS A 76 3.794 -2.317 36.097 1.00 0.00 H ATOM 814 HD3 LYS A 76 4.157 -0.742 36.841 1.00 0.00 H ATOM 815 HE2 LYS A 76 2.081 -2.763 37.770 1.00 0.00 H ATOM 816 HE3 LYS A 76 2.292 -1.140 38.466 1.00 0.00 H ATOM 817 HZ1 LYS A 76 4.349 -3.294 38.423 1.00 0.00 H ATOM 818 HZ2 LYS A 76 4.550 -1.744 39.088 1.00 0.00 H ATOM 819 HZ3 LYS A 76 3.429 -2.822 39.771 1.00 0.00 H ATOM 820 H LYS A 76 0.801 -1.424 33.634 1.00 0.00 H ATOM 821 N ASP A 77 2.967 0.089 31.381 1.00 17.09 N ATOM 822 CA ASP A 77 3.893 0.382 30.296 1.00 20.17 C ATOM 823 C ASP A 77 3.184 0.852 29.040 1.00 20.39 C ATOM 824 O ASP A 77 3.784 0.922 27.979 1.00 24.82 O ATOM 825 CB ASP A 77 4.747 -0.854 29.979 1.00 17.89 C ATOM 826 CG ASP A 77 5.746 -1.155 31.077 1.00 23.69 C ATOM 827 OD1 ASP A 77 5.993 -2.348 31.340 1.00 20.47 O ATOM 828 OD2 ASP A 77 6.268 -0.191 31.688 1.00 21.63 O ATOM 829 HA ASP A 77 4.533 1.197 30.635 1.00 0.00 H ATOM 830 HB2 ASP A 77 4.089 -1.714 29.857 1.00 0.00 H ATOM 831 HB3 ASP A 77 5.289 -0.678 29.050 1.00 0.00 H ATOM 832 H ASP A 77 2.455 -0.816 31.377 1.00 0.00 H ATOM 833 N ILE A 78 1.909 1.197 29.163 1.00 18.96 N ATOM 834 CA ILE A 78 1.144 1.591 27.986 1.00 13.94 C ATOM 835 C ILE A 78 0.609 3.008 28.150 1.00 17.46 C ATOM 836 O ILE A 78 0.105 3.362 29.215 1.00 19.03 O ATOM 837 CB ILE A 78 -0.035 0.641 27.720 1.00 19.39 C ATOM 838 CG1 ILE A 78 0.482 -0.795 27.508 1.00 19.58 C ATOM 839 CG2 ILE A 78 -0.847 1.142 26.514 1.00 17.29 C ATOM 840 CD1 ILE A 78 -0.597 -1.895 27.671 1.00 18.02 C ATOM 841 HA ILE A 78 1.824 1.543 27.136 1.00 0.00 H ATOM 842 HB ILE A 78 -0.698 0.627 28.585 1.00 0.00 H ATOM 843 HG12 ILE A 78 0.891 -0.865 26.500 1.00 0.00 H ATOM 844 HG13 ILE A 78 1.273 -0.983 28.234 1.00 0.00 H ATOM 845 HD11 ILE A 78 -1.010 -1.851 28.679 1.00 0.00 H ATOM 846 HD12 ILE A 78 -1.393 -1.732 26.944 1.00 0.00 H ATOM 847 HD13 ILE A 78 -0.145 -2.873 27.505 1.00 0.00 H ATOM 848 HG21 ILE A 78 -1.229 2.141 26.725 1.00 0.00 H ATOM 849 HG22 ILE A 78 -0.205 1.175 25.634 1.00 0.00 H ATOM 850 HG23 ILE A 78 -1.681 0.464 26.332 1.00 0.00 H ATOM 851 H ILE A 78 1.455 1.186 30.099 1.00 0.00 H ATOM 852 N SER A 79 0.742 3.807 27.097 1.00 17.17 N ATOM 853 CA SER A 79 0.125 5.130 27.059 1.00 19.16 C ATOM 854 C SER A 79 -0.465 5.435 25.679 1.00 20.70 C ATOM 855 O SER A 79 0.025 4.952 24.664 1.00 21.86 O ATOM 856 CB SER A 79 1.145 6.187 27.449 1.00 20.43 C ATOM 857 OG SER A 79 2.316 6.039 26.679 1.00 27.06 O ATOM 858 HA SER A 79 -0.696 5.143 27.776 1.00 0.00 H ATOM 859 HB2 SER A 79 1.392 6.078 28.505 1.00 0.00 H ATOM 860 HB3 SER A 79 0.723 7.177 27.276 1.00 0.00 H ATOM 861 HG SER A 79 2.702 5.141 26.837 1.00 0.00 H ATOM 862 H SER A 79 1.299 3.483 26.281 1.00 0.00 H ATOM 863 N PRO A 80 -1.538 6.244 25.633 1.00 23.00 N ATOM 864 CA PRO A 80 -2.143 6.567 24.334 1.00 25.11 C ATOM 865 C PRO A 80 -1.148 7.270 23.418 1.00 23.56 C ATOM 866 O PRO A 80 -0.333 8.060 23.894 1.00 30.95 O ATOM 867 CB PRO A 80 -3.276 7.539 24.702 1.00 34.41 C ATOM 868 CG PRO A 80 -3.586 7.238 26.134 1.00 40.61 C ATOM 869 CD PRO A 80 -2.269 6.840 26.762 1.00 30.07 C ATOM 870 HA PRO A 80 -2.477 5.677 23.801 1.00 0.00 H ATOM 871 HD3 PRO A 80 -1.743 7.709 27.156 1.00 0.00 H ATOM 872 HD2 PRO A 80 -2.418 6.114 27.561 1.00 0.00 H ATOM 873 HG3 PRO A 80 -4.304 6.421 26.204 1.00 0.00 H ATOM 874 HG2 PRO A 80 -3.992 8.120 26.629 1.00 0.00 H ATOM 875 HB2 PRO A 80 -2.948 8.572 24.589 1.00 0.00 H ATOM 876 HB3 PRO A 80 -4.150 7.366 24.075 1.00 0.00 H ATOM 877 N ALA A 81 -1.203 6.999 22.120 1.00 22.74 N ATOM 878 CA ALA A 81 -0.357 7.739 21.190 1.00 25.89 C ATOM 879 C ALA A 81 -1.002 9.077 20.870 1.00 32.00 C ATOM 880 O ALA A 81 -0.311 10.022 20.507 1.00 38.98 O ATOM 881 CB ALA A 81 -0.112 6.949 19.909 1.00 27.91 C ATOM 882 HA ALA A 81 0.610 7.905 21.664 1.00 0.00 H ATOM 883 HB1 ALA A 81 0.382 6.008 20.153 1.00 0.00 H ATOM 884 HB2 ALA A 81 -1.065 6.745 19.422 1.00 0.00 H ATOM 885 HB3 ALA A 81 0.522 7.531 19.240 1.00 0.00 H ATOM 886 H ALA A 81 -1.847 6.262 21.767 1.00 0.00 H ATOM 887 N ALA A 82 -2.327 9.146 21.019 1.00 29.66 N ATOM 888 CA ALA A 82 -3.095 10.349 20.670 1.00 37.20 C ATOM 889 C ALA A 82 -2.679 11.565 21.477 1.00 38.97 C ATOM 890 O ALA A 82 -2.296 11.449 22.640 1.00 28.87 O ATOM 891 CB ALA A 82 -4.593 10.103 20.847 1.00 43.71 C ATOM 892 HA ALA A 82 -2.878 10.560 19.623 1.00 0.00 H ATOM 893 HB1 ALA A 82 -4.905 9.284 20.198 1.00 0.00 H ATOM 894 HB2 ALA A 82 -4.797 9.843 21.886 1.00 0.00 H ATOM 895 HB3 ALA A 82 -5.142 11.007 20.583 1.00 0.00 H ATOM 896 H ALA A 82 -2.833 8.319 21.395 1.00 0.00 H ATOM 897 N LEU A 83 -2.777 12.732 20.842 1.00 46.78 N ATOM 898 CA LEU A 83 -2.509 14.009 21.491 1.00 54.20 C ATOM 899 C LEU A 83 -3.291 14.125 22.796 1.00 59.00 C ATOM 900 O LEU A 83 -4.483 13.817 22.840 1.00 42.05 O ATOM 901 CB LEU A 83 -2.870 15.174 20.557 1.00 54.11 C ATOM 902 CG LEU A 83 -1.774 15.759 19.659 1.00 51.32 C ATOM 903 CD1 LEU A 83 -0.715 16.458 20.498 1.00 57.12 C ATOM 904 CD2 LEU A 83 -1.144 14.702 18.775 1.00 47.08 C ATOM 905 HA LEU A 83 -1.444 14.057 21.717 1.00 0.00 H ATOM 906 HB2 LEU A 83 -3.670 14.827 19.904 1.00 0.00 H ATOM 907 HB3 LEU A 83 -3.240 15.986 21.183 1.00 0.00 H ATOM 908 HG LEU A 83 -2.244 16.492 19.004 1.00 0.00 H ATOM 909 HD21 LEU A 83 -0.698 13.927 19.399 1.00 0.00 H ATOM 910 HD22 LEU A 83 -1.909 14.260 18.137 1.00 0.00 H ATOM 911 HD23 LEU A 83 -0.373 15.160 18.156 1.00 0.00 H ATOM 912 HD11 LEU A 83 -1.178 17.266 21.065 1.00 0.00 H ATOM 913 HD12 LEU A 83 -0.266 15.741 21.185 1.00 0.00 H ATOM 914 HD13 LEU A 83 0.054 16.867 19.843 1.00 0.00 H ATOM 915 H LEU A 83 -3.057 12.732 19.840 1.00 0.00 H ATOM 916 N PRO A 84 -2.618 14.584 23.862 1.00 75.08 N ATOM 917 CA PRO A 84 -3.203 14.717 25.199 1.00 80.35 C ATOM 918 C PRO A 84 -4.694 15.045 25.148 1.00 76.72 C ATOM 919 O PRO A 84 -5.471 14.481 25.921 1.00 77.15 O ATOM 920 CB PRO A 84 -2.411 15.875 25.791 1.00 83.09 C ATOM 921 CG PRO A 84 -1.047 15.697 25.189 1.00 82.43 C ATOM 922 CD PRO A 84 -1.250 15.133 23.807 1.00 77.34 C ATOM 923 HA PRO A 84 -3.144 13.796 25.779 1.00 0.00 H ATOM 924 HD3 PRO A 84 -1.173 15.914 23.051 1.00 0.00 H ATOM 925 HD2 PRO A 84 -0.523 14.350 23.594 1.00 0.00 H ATOM 926 HG3 PRO A 84 -0.457 15.007 25.793 1.00 0.00 H ATOM 927 HG2 PRO A 84 -0.534 16.657 25.131 1.00 0.00 H ATOM 928 HB2 PRO A 84 -2.844 16.833 25.504 1.00 0.00 H ATOM 929 HB3 PRO A 84 -2.371 15.807 26.878 1.00 0.00 H ATOM 930 N GLY A 85 -5.081 15.942 24.246 1.00 69.23 N ATOM 931 CA GLY A 85 -6.482 16.214 23.994 1.00 63.78 C ATOM 932 C GLY A 85 -7.082 15.189 23.051 1.00 60.66 C ATOM 933 O GLY A 85 -8.094 15.445 22.402 1.00 61.13 O ATOM 934 HA3 GLY A 85 -6.577 17.205 23.549 1.00 0.00 H ATOM 935 HA2 GLY A 85 -7.025 16.188 24.939 1.00 0.00 H ATOM 936 H GLY A 85 -4.359 16.462 23.707 1.00 0.00 H TER 937 GLY A 85 HETATM 938 O HOH 1 13.086 3.052 30.020 1.00 18.90 O HETATM 939 O HOH 2 5.098 -4.593 30.057 1.00 20.46 O HETATM 940 O HOH 3 5.854 -1.274 16.517 1.00 18.46 O HETATM 941 O HOH 4 6.637 -4.685 27.715 1.00 31.36 O HETATM 942 O HOH 5 5.507 4.308 29.813 1.00 34.18 O HETATM 943 O HOH 6 6.643 2.395 31.590 1.00 28.15 O HETATM 944 O HOH 7 -0.078 -1.852 14.585 1.00 42.42 O HETATM 945 O HOH 8 -11.822 -2.307 25.557 1.00 33.56 O HETATM 946 O HOH 9 -4.308 6.890 21.297 1.00 28.92 O HETATM 947 O HOH 10 11.659 5.319 23.601 1.00 34.46 O HETATM 948 O HOH 11 -6.967 7.396 27.592 1.00 32.07 O HETATM 949 O HOH 12 11.518 5.966 26.216 1.00 42.30 O HETATM 950 O HOH 13 -5.491 8.502 29.474 1.00 41.55 O HETATM 951 O HOH 14 0.510 -11.923 15.022 1.00 45.70 O HETATM 952 O HOH 15 -8.172 7.535 20.784 1.00 40.71 O HETATM 953 O HOH 16 -11.630 -0.965 27.917 1.00 34.97 O HETATM 954 O HOH 17 -9.242 -6.656 18.434 1.00 46.94 O HETATM 955 O HOH 18 -6.476 5.360 18.875 1.00 31.73 O HETATM 956 O HOH 19 -6.535 9.159 25.178 1.00 36.52 O HETATM 957 O HOH 20 -8.511 -4.104 17.606 1.00 44.26 O HETATM 958 O HOH 21 4.111 4.112 27.476 1.00 23.90 O HETATM 959 O HOH 22 -6.424 7.540 22.754 1.00 36.28 O HETATM 960 O HOH 23 1.409 4.790 31.426 1.00 35.42 O HETATM 961 O HOH 24 14.993 -6.204 24.560 1.00 28.90 O HETATM 962 O HOH 25 -8.172 2.014 32.829 1.00 48.59 O HETATM 963 O HOH 26 3.702 5.675 30.836 1.00 33.18 O HETATM 964 O HOH 27 -3.899 11.160 25.039 1.00 47.48 O HETATM 965 O HOH 28 17.043 -1.055 21.644 1.00 33.37 O HETATM 966 O HOH 29 2.237 8.664 25.294 1.00 30.60 O HETATM 967 O HOH 30 5.100 -11.151 13.415 1.00 39.87 O HETATM 968 O HOH 31 -11.980 7.653 28.951 1.00 48.01 O HETATM 969 O HOH 32 -12.143 7.135 26.750 1.00 44.42 O HETATM 970 O HOH 33 -10.690 -6.663 25.560 1.00 36.23 O HETATM 971 O HOH 34 -12.837 -8.751 22.637 1.00 51.07 O HETATM 972 O HOH 35 11.591 -9.408 20.012 1.00 38.20 O HETATM 973 O HOH 36 13.812 -6.921 20.832 1.00 50.70 O HETATM 974 O HOH 37 9.069 -8.794 17.091 1.00 34.09 O HETATM 975 O HOH 38 13.434 -4.190 18.998 1.00 61.33 O HETATM 976 O HOH 39 10.500 -6.332 13.501 1.00 52.08 O HETATM 977 O HOH 40 12.348 -1.852 30.614 1.00 51.09 O HETATM 978 O HOH 41 17.218 -0.303 18.624 1.00 59.74 O HETATM 979 O HOH 42 -0.010 0.483 14.963 1.00 55.74 O HETATM 980 O HOH 43 -8.351 -11.058 26.305 1.00 40.55 O HETATM 981 O HOH 44 -12.696 -5.971 29.674 1.00 56.94 O HETATM 982 O HOH 45 -11.015 -7.683 31.009 1.00 50.62 O HETATM 983 O HOH 46 -9.717 -11.893 32.083 1.00 51.96 O HETATM 984 O HOH 47 -4.890 -0.112 37.620 1.00 53.96 O HETATM 985 O HOH 48 -3.763 -2.984 41.008 1.00 41.79 O HETATM 986 O HOH 49 2.360 -11.617 9.520 1.00 43.40 O HETATM 987 O HOH 50 3.870 -12.487 17.654 1.00 37.75 O HETATM 988 O HOH 51 3.851 -13.345 21.271 1.00 41.69 O HETATM 989 O HOH 52 -5.126 -10.496 17.932 1.00 34.78 O HETATM 990 O HOH 53 -2.102 1.240 35.134 1.00 48.35 O HETATM 991 O HOH 54 -5.436 1.924 33.436 1.00 52.65 O HETATM 992 O HOH 55 1.263 11.735 22.952 1.00 54.18 O HETATM 993 O HOH 56 -3.879 8.176 17.714 1.00 48.27 O HETATM 994 O HOH 57 -15.042 7.401 35.607 1.00 40.90 O HETATM 995 O HOH 58 -18.310 5.678 36.173 1.00 59.78 O HETATM 996 O HOH 59 -8.621 0.053 31.549 1.00 47.97 O HETATM 997 O HOH 60 -1.885 7.409 30.114 1.00 43.37 O HETATM 998 O HOH 61 -12.456 -4.799 26.493 1.00 40.69 O HETATM 999 O HOH 62 -11.334 -8.864 26.895 1.00 45.78 O HETATM 1000 O HOH 63 8.956 7.845 27.351 1.00 41.45 O HETATM 1001 O HOH 64 -4.896 -12.179 28.502 1.00 47.88 O HETATM 1002 O HOH 65 -6.118 -9.617 39.667 1.00 63.96 O HETATM 1003 O HOH 66 0.352 -9.509 35.534 1.00 39.35 O HETATM 1004 O HOH 67 -1.453 -1.533 36.572 1.00 44.95 O HETATM 1005 O HOH 68 0.120 -2.887 35.009 1.00 29.06 O HETATM 1006 O HOH 69 7.820 -1.649 8.429 1.00 42.20 O HETATM 1007 O HOH 70 12.863 5.330 21.126 1.00 37.57 O HETATM 1008 O HOH 71 9.289 -8.733 10.142 1.00 42.59 O HETATM 1009 O HOH 72 7.078 5.044 15.693 1.00 35.09 O HETATM 1010 O HOH 73 7.466 2.647 17.017 1.00 27.57 O HETATM 1011 O HOH 74 7.650 0.260 14.926 1.00 27.27 O HETATM 1012 O HOH 75 5.992 -9.872 9.827 1.00 25.19 O HETATM 1013 O HOH 76 12.479 -9.043 8.954 1.00 54.54 O HETATM 1014 O HOH 77 7.867 9.154 22.032 1.00 37.90 O HETATM 1015 O HOH 78 15.951 9.856 17.775 1.00 47.87 O HETATM 1016 N SER A 79 1.391 -5.656 9.842 1.00 0.24 N HETATM 1017 CA SER A 79 1.945 -5.738 8.492 1.00 0.09 C HETATM 1018 C SER A 79 2.947 -6.870 8.358 1.00 0.23 C HETATM 1019 O SER A 79 3.934 -6.906 9.079 1.00 -0.39 O HETATM 1020 N SER A 79 2.721 -7.788 7.429 1.00 -0.26 N HETATM 1021 CA SER A 79 3.689 -8.882 7.246 1.00 0.16 C HETATM 1022 C SER A 79 4.969 -8.418 6.538 1.00 0.21 C HETATM 1023 O SER A 79 4.920 -7.736 5.513 1.00 -0.39 O HETATM 1024 N SER A 79 6.112 -8.777 7.119 1.00 -0.27 N HETATM 1025 CA SER A 79 7.406 -8.334 6.630 1.00 0.12 C HETATM 1026 C SER A 79 7.769 -6.951 7.151 1.00 0.20 C HETATM 1027 O SER A 79 8.822 -6.415 6.815 1.00 -0.39 O HETATM 1028 N SER A 79 6.895 -6.370 7.973 1.00 -0.27 N HETATM 1029 CA SER A 79 7.134 -5.050 8.546 1.00 0.12 C HETATM 1030 C SER A 79 8.307 -5.072 9.514 1.00 0.20 C HETATM 1031 O SER A 79 8.753 -6.133 9.931 1.00 -0.39 O HETATM 1032 N SER A 79 8.809 -3.898 9.876 1.00 -0.26 N HETATM 1033 CA SER A 79 9.945 -3.804 10.785 1.00 0.13 C HETATM 1034 C SER A 79 9.637 -2.803 11.903 1.00 0.20 C HETATM 1035 O SER A 79 9.151 -1.703 11.644 1.00 -0.39 O HETATM 1036 N SER A 79 9.897 -3.200 13.145 1.00 -0.26 N HETATM 1037 CA SER A 79 9.652 -2.333 14.294 1.00 0.13 C HETATM 1038 CB SER A 79 9.477 -3.113 15.594 1.00 -0.01 C HETATM 1039 CG SER A 79 8.306 -4.058 15.720 1.00 -0.04 C HETATM 1040 CD SER A 79 8.291 -4.925 16.993 1.00 -0.01 C HETATM 1041 CE SER A 79 8.369 -4.185 18.325 1.00 -0.03 C HETATM 1042 NZ SER A 79 8.655 -4.970 19.520 1.00 0.24 N HETATM 1043 CM1 SER A 79 8.145 -4.177 20.676 1.00 -0.04 C HETATM 1044 H SER A 79 8.656 -3.215 20.709 1.00 0.08 H HETATM 1045 H SER A 79 7.073 -4.017 20.560 1.00 0.08 H HETATM 1046 H SER A 79 8.335 -4.722 21.601 1.00 0.08 H HETATM 1047 CM2 SER A 79 10.081 -5.132 19.698 1.00 -0.04 C HETATM 1048 H SER A 79 10.498 -5.645 18.831 1.00 0.08 H HETATM 1049 H SER A 79 10.547 -4.152 19.801 1.00 0.08 H HETATM 1050 H SER A 79 10.269 -5.721 20.596 1.00 0.08 H HETATM 1051 CM3 SER A 79 8.092 -6.328 19.308 1.00 -0.04 C HETATM 1052 H SER A 79 7.016 -6.253 19.149 1.00 0.08 H HETATM 1053 H SER A 79 8.559 -6.781 18.433 1.00 0.08 H HETATM 1054 H SER A 79 8.289 -6.943 20.186 1.00 0.08 H HETATM 1055 H SER A 79 7.376 -3.764 18.483 1.00 0.08 H HETATM 1056 H SER A 79 9.204 -3.491 18.225 1.00 0.08 H HETATM 1057 H SER A 79 9.184 -5.549 16.943 1.00 0.03 H HETATM 1058 H SER A 79 7.332 -5.444 16.993 1.00 0.03 H HETATM 1059 H SER A 79 8.368 -4.745 14.876 1.00 0.03 H HETATM 1060 H SER A 79 7.409 -3.439 15.754 1.00 0.03 H HETATM 1061 H SER A 79 9.313 -2.355 16.360 1.00 0.03 H HETATM 1062 H SER A 79 10.361 -3.746 15.666 1.00 0.03 H HETATM 1063 C SER A 79 10.784 -1.383 14.467 1.00 0.20 C HETATM 1064 O SER A 79 11.972 -1.771 14.348 1.00 -0.39 O HETATM 1065 N SER A 79 10.454 -0.131 14.752 1.00 -0.26 N HETATM 1066 CA SER A 79 11.464 0.835 15.157 1.00 0.13 C HETATM 1067 C SER A 79 10.987 1.577 16.393 1.00 0.21 C HETATM 1068 O SER A 79 9.787 1.799 16.564 1.00 -0.39 O HETATM 1069 N SER A 79 11.929 1.946 17.268 1.00 -0.25 N HETATM 1070 CA SER A 79 11.597 2.713 18.470 1.00 0.13 C HETATM 1071 C SER A 79 10.906 4.025 18.098 1.00 0.20 C HETATM 1072 O SER A 79 11.333 4.705 17.170 1.00 -0.39 O HETATM 1073 N SER A 79 9.833 4.353 18.803 1.00 -0.26 N HETATM 1074 CA SER A 79 9.050 5.544 18.491 1.00 0.14 C HETATM 1075 C SER A 79 9.916 6.792 18.569 1.00 0.20 C HETATM 1076 O SER A 79 10.712 6.948 19.498 1.00 -0.39 O HETATM 1077 N SER A 79 9.752 7.671 17.584 1.00 -0.27 N HETATM 1078 CA SER A 79 10.500 8.919 17.503 1.00 0.09 C HETATM 1079 C SER A 79 11.979 8.706 17.740 1.00 0.06 C HETATM 1080 O SER A 79 12.736 9.691 17.949 1.00 -0.57 O HETATM 1081 O SER A 79 12.455 7.540 17.728 1.00 -0.57 O HETATM 1082 CB SER A 79 9.938 9.962 18.476 1.00 -0.01 C HETATM 1083 CG SER A 79 8.466 10.278 18.238 1.00 -0.02 C HETATM 1084 CD SER A 79 7.850 11.078 19.379 1.00 0.06 C HETATM 1085 NE SER A 79 8.621 12.285 19.663 1.00 -0.27 N HETATM 1086 CZ SER A 79 9.054 12.628 20.870 1.00 0.29 C HETATM 1087 NH1 SER A 79 8.772 11.862 21.922 1.00 -0.28 N HETATM 1088 H SER A 79 8.223 11.011 21.801 1.00 0.26 H HETATM 1089 H SER A 79 9.105 12.126 22.849 1.00 0.26 H HETATM 1090 NH2 SER A 79 9.763 13.742 21.023 1.00 -0.28 N HETATM 1091 H SER A 79 9.972 14.329 20.215 1.00 0.26 H HETATM 1092 H SER A 79 10.098 14.010 21.948 1.00 0.26 H HETATM 1093 H SER A 79 8.841 12.905 18.883 1.00 0.26 H HETATM 1094 H SER A 79 7.842 10.455 20.273 1.00 0.07 H HETATM 1095 H SER A 79 6.841 11.373 19.089 1.00 0.07 H HETATM 1096 H SER A 79 7.927 9.334 18.160 1.00 0.03 H HETATM 1097 H SER A 79 8.393 10.876 17.330 1.00 0.03 H HETATM 1098 H SER A 79 10.500 10.884 18.331 1.00 0.03 H HETATM 1099 H SER A 79 10.029 9.555 19.483 1.00 0.03 H HETATM 1100 H SER A 79 10.383 9.299 16.488 1.00 0.07 H HETATM 1101 H SER A 79 9.072 7.462 16.853 1.00 0.19 H HETATM 1102 CB SER A 79 7.869 5.661 19.454 1.00 0.01 C HETATM 1103 CG SER A 79 6.881 6.725 19.081 1.00 -0.00 C HETATM 1104 ND1 SER A 79 6.103 6.654 17.947 1.00 -0.33 N HETATM 1105 CE1 SER A 79 5.319 7.720 17.886 1.00 0.09 C HETATM 1106 NE2 SER A 79 5.560 8.471 18.943 1.00 -0.28 N HETATM 1107 CD2 SER A 79 6.536 7.874 19.709 1.00 0.03 C HETATM 1108 H SER A 79 6.952 8.254 20.642 1.00 0.07 H HETATM 1109 H SER A 79 5.097 9.354 19.159 1.00 0.24 H HETATM 1110 H SER A 79 4.599 7.939 17.098 1.00 0.12 H HETATM 1111 H SER A 79 8.274 5.924 20.431 1.00 0.04 H HETATM 1112 H SER A 79 7.340 4.708 19.435 1.00 0.04 H HETATM 1113 H SER A 79 8.671 5.452 17.473 1.00 0.08 H HETATM 1114 H SER A 79 9.548 3.759 19.582 1.00 0.19 H HETATM 1115 CB SER A 79 12.965 2.986 19.096 1.00 -0.01 C HETATM 1116 CG SER A 79 13.829 1.867 18.615 1.00 -0.03 C HETATM 1117 CD SER A 79 13.347 1.545 17.232 1.00 0.04 C HETATM 1118 H SER A 79 13.912 2.065 16.458 1.00 0.05 H HETATM 1119 H SER A 79 13.481 0.494 16.974 1.00 0.05 H HETATM 1120 H SER A 79 13.758 1.000 19.272 1.00 0.03 H HETATM 1121 H SER A 79 14.881 2.151 18.612 1.00 0.03 H HETATM 1122 H SER A 79 12.915 3.024 20.184 1.00 0.03 H HETATM 1123 H SER A 79 13.359 3.960 18.805 1.00 0.03 H HETATM 1124 H SER A 79 10.914 2.189 19.139 1.00 0.08 H HETATM 1125 CB SER A 79 11.811 1.813 14.023 1.00 -0.01 C HETATM 1126 CG SER A 79 10.701 2.070 13.016 1.00 -0.04 C HETATM 1127 CD SER A 79 9.647 3.021 13.545 1.00 -0.01 C HETATM 1128 CE SER A 79 8.757 3.521 12.414 1.00 -0.04 C HETATM 1129 NZ SER A 79 8.300 2.412 11.523 1.00 0.22 N HETATM 1130 H SER A 79 7.709 2.793 10.784 1.00 0.20 H HETATM 1131 H SER A 79 9.112 1.954 11.109 1.00 0.20 H HETATM 1132 H SER A 79 7.768 1.735 12.070 1.00 0.20 H HETATM 1133 H SER A 79 9.335 4.223 11.813 1.00 0.08 H HETATM 1134 H SER A 79 7.876 3.986 12.856 1.00 0.08 H HETATM 1135 H SER A 79 10.143 3.875 14.007 1.00 0.03 H HETATM 1136 H SER A 79 9.030 2.494 14.273 1.00 0.03 H HETATM 1137 H SER A 79 10.217 1.118 12.799 1.00 0.03 H HETATM 1138 H SER A 79 11.148 2.522 12.131 1.00 0.03 H HETATM 1139 H SER A 79 12.635 1.365 13.468 1.00 0.03 H HETATM 1140 H SER A 79 12.029 2.771 14.495 1.00 0.03 H HETATM 1141 H SER A 79 12.381 0.295 15.394 1.00 0.08 H HETATM 1142 H SER A 79 9.478 0.159 14.686 1.00 0.19 H HETATM 1143 H SER A 79 8.723 -1.801 14.087 1.00 0.08 H HETATM 1144 H SER A 79 10.277 -4.134 13.299 1.00 0.19 H HETATM 1145 CB SER A 79 11.234 -3.389 10.020 1.00 -0.01 C HETATM 1146 CG1 SER A 79 11.023 -2.071 9.287 1.00 -0.06 C HETATM 1147 H SER A 79 10.208 -2.181 8.572 1.00 0.02 H HETATM 1148 H SER A 79 10.774 -1.292 10.007 1.00 0.02 H HETATM 1149 H SER A 79 11.937 -1.800 8.759 1.00 0.02 H HETATM 1150 CG2 SER A 79 12.442 -3.311 10.959 1.00 -0.06 C HETATM 1151 H SER A 79 12.249 -2.573 11.737 1.00 0.02 H HETATM 1152 H SER A 79 12.609 -4.287 11.415 1.00 0.02 H HETATM 1153 H SER A 79 13.325 -3.018 10.390 1.00 0.02 H HETATM 1154 H SER A 79 11.446 -4.160 9.280 1.00 0.03 H HETATM 1155 H SER A 79 10.119 -4.785 11.227 1.00 0.08 H HETATM 1156 H SER A 79 8.391 -3.043 9.510 1.00 0.19 H HETATM 1157 H SER A 79 6.241 -4.741 9.090 1.00 0.08 H HETATM 1158 H SER A 79 7.365 -4.357 7.737 1.00 0.08 H HETATM 1159 H SER A 79 6.034 -6.863 8.208 1.00 0.19 H HETATM 1160 H SER A 79 7.362 -8.288 5.542 1.00 0.08 H HETATM 1161 H SER A 79 8.161 -9.039 6.978 1.00 0.08 H HETATM 1162 H SER A 79 6.078 -9.385 7.937 1.00 0.19 H HETATM 1163 CB SER A 79 3.069 -10.094 6.539 1.00 0.09 C HETATM 1164 OG1 SER A 79 3.179 -9.943 5.120 1.00 -0.39 O HETATM 1165 H SER A 79 4.105 -9.875 4.877 1.00 0.21 H HETATM 1166 CG2 SER A 79 1.611 -10.229 6.940 1.00 -0.03 C HETATM 1167 H SER A 79 1.067 -9.336 6.632 1.00 0.03 H HETATM 1168 H SER A 79 1.181 -11.104 6.453 1.00 0.03 H HETATM 1169 H SER A 79 1.542 -10.343 8.022 1.00 0.03 H HETATM 1170 H SER A 79 3.605 -10.995 6.837 1.00 0.06 H HETATM 1171 H SER A 79 3.975 -9.203 8.248 1.00 0.08 H HETATM 1172 H SER A 79 1.885 -7.737 6.847 1.00 0.19 H HETATM 1173 CB SER A 79 2.625 -4.417 8.120 1.00 0.10 C HETATM 1174 OG SER A 79 3.634 -4.621 7.138 1.00 -0.39 O HETATM 1175 H SER A 79 4.298 -5.223 7.483 1.00 0.21 H HETATM 1176 H SER A 79 3.087 -3.998 9.014 1.00 0.06 H HETATM 1177 H SER A 79 1.874 -3.740 7.714 1.00 0.06 H HETATM 1178 H SER A 79 1.115 -5.936 7.814 1.00 0.11 H HETATM 1179 H SER A 79 0.941 -6.541 10.078 1.00 0.20 H HETATM 1180 H SER A 79 2.142 -5.467 10.506 1.00 0.20 H HETATM 1181 H SER A 79 0.704 -4.903 9.881 1.00 0.20 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 1016 1017 1179 1180 1181 CONECT 1017 1016 1018 1173 1178 CONECT 1018 1017 1019 1020 CONECT 1019 1018 CONECT 1020 1018 1021 1172 CONECT 1021 1020 1022 1163 1171 CONECT 1022 1021 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1162 CONECT 1025 1024 1026 1160 1161 CONECT 1026 1025 1027 1028 CONECT 1027 1026 CONECT 1028 1026 1029 1159 CONECT 1029 1028 1030 1157 1158 CONECT 1030 1029 1031 1032 CONECT 1031 1030 CONECT 1032 1030 1033 1156 CONECT 1033 1032 1034 1145 1155 CONECT 1034 1033 1035 1036 CONECT 1035 1034 CONECT 1036 1034 1037 1144 CONECT 1037 1036 1038 1063 1143 CONECT 1038 1037 1039 1061 1062 CONECT 1039 1038 1040 1059 1060 CONECT 1040 1039 1041 1057 1058 CONECT 1041 1040 1042 1055 1056 CONECT 1042 1041 1043 1047 1051 CONECT 1043 1042 1044 1045 1046 CONECT 1044 1043 CONECT 1045 1043 CONECT 1046 1043 CONECT 1047 1042 1048 1049 1050 CONECT 1048 1047 CONECT 1049 1047 CONECT 1050 1047 CONECT 1051 1042 1052 1053 1054 CONECT 1052 1051 CONECT 1053 1051 CONECT 1054 1051 CONECT 1055 1041 CONECT 1056 1041 CONECT 1057 1040 CONECT 1058 1040 CONECT 1059 1039 CONECT 1060 1039 CONECT 1061 1038 CONECT 1062 1038 CONECT 1063 1037 1064 1065 CONECT 1064 1063 CONECT 1065 1063 1066 1142 CONECT 1066 1065 1067 1125 1141 CONECT 1067 1066 1068 1069 CONECT 1068 1067 CONECT 1069 1067 1070 1117 CONECT 1070 1069 1071 1115 1124 CONECT 1071 1070 1072 1073 CONECT 1072 1071 CONECT 1073 1071 1074 1114 CONECT 1074 1073 1075 1102 1113 CONECT 1075 1074 1076 1077 CONECT 1076 1075 CONECT 1077 1075 1078 1101 CONECT 1078 1077 1079 1082 1100 CONECT 1079 1078 1080 1081 CONECT 1080 1079 CONECT 1081 1079 CONECT 1082 1078 1083 1098 1099 CONECT 1083 1082 1084 1096 1097 CONECT 1084 1083 1085 1094 1095 CONECT 1085 1084 1086 1093 CONECT 1086 1085 1087 1090 CONECT 1087 1086 1088 1089 CONECT 1088 1087 CONECT 1089 1087 CONECT 1090 1086 1091 1092 CONECT 1091 1090 CONECT 1092 1090 CONECT 1093 1085 CONECT 1094 1084 CONECT 1095 1084 CONECT 1096 1083 CONECT 1097 1083 CONECT 1098 1082 CONECT 1099 1082 CONECT 1100 1078 CONECT 1101 1077 CONECT 1102 1074 1103 1111 1112 CONECT 1103 1102 1104 1107 CONECT 1104 1103 1105 CONECT 1105 1104 1106 1110 CONECT 1106 1105 1107 1109 CONECT 1107 1103 1106 1108 CONECT 1108 1107 CONECT 1109 1106 CONECT 1110 1105 CONECT 1111 1102 CONECT 1112 1102 CONECT 1113 1074 CONECT 1114 1073 CONECT 1115 1070 1116 1122 1123 CONECT 1116 1115 1117 1120 1121 CONECT 1117 1069 1116 1118 1119 CONECT 1118 1117 CONECT 1119 1117 CONECT 1120 1116 CONECT 1121 1116 CONECT 1122 1115 CONECT 1123 1115 CONECT 1124 1070 CONECT 1125 1066 1126 1139 1140 CONECT 1126 1125 1127 1137 1138 CONECT 1127 1126 1128 1135 1136 CONECT 1128 1127 1129 1133 1134 CONECT 1129 1128 1130 1131 1132 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1129 CONECT 1133 1128 CONECT 1134 1128 CONECT 1135 1127 CONECT 1136 1127 CONECT 1137 1126 CONECT 1138 1126 CONECT 1139 1125 CONECT 1140 1125 CONECT 1141 1066 CONECT 1142 1065 CONECT 1143 1037 CONECT 1144 1036 CONECT 1145 1033 1146 1150 1154 CONECT 1146 1145 1147 1148 1149 CONECT 1147 1146 CONECT 1148 1146 CONECT 1149 1146 CONECT 1150 1145 1151 1152 1153 CONECT 1151 1150 CONECT 1152 1150 CONECT 1153 1150 CONECT 1154 1145 CONECT 1155 1033 CONECT 1156 1032 CONECT 1157 1029 CONECT 1158 1029 CONECT 1159 1028 CONECT 1160 1025 CONECT 1161 1025 CONECT 1162 1024 CONECT 1163 1021 1164 1166 1170 CONECT 1164 1163 1165 CONECT 1165 1164 CONECT 1166 1163 1167 1168 1169 CONECT 1167 1166 CONECT 1168 1166 CONECT 1169 1166 CONECT 1170 1163 CONECT 1171 1021 CONECT 1172 1020 CONECT 1173 1017 1174 1176 1177 CONECT 1174 1173 1175 CONECT 1175 1174 CONECT 1176 1173 CONECT 1177 1173 CONECT 1178 1017 CONECT 1179 1016 CONECT 1180 1016 CONECT 1181 1016 MASTER 0 0 0 0 0 0 0 0 1180 1 170 5 END
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Protein
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PDB Code
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1aqc
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10-mer
1awi
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1aze
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10-mer
1bjr
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1cka
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1ckb
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10-mer
1gbq
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1gvu
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PDBbind
10-mer
1him
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10-mer
1jd5
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PDBbind
10-mer
1jd6
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10-mer
1jmq
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10-mer
1pyw
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PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
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10-mer
1y2a
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10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
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PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
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PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
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10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
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RCSB PDB
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RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
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PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
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2w6t
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PDBbind
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2w77
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10-mer
2wa8
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PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
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PDBbind
10-mer
3al3
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3bh8
RCSB PDB
PDBbind
10-mer
3bh9
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10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
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10-mer
3dvp
RCSB PDB
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10-mer
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PDBbind
10-mer
3er5
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10-mer
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RCSB PDB
PDBbind
10-mer
3f9y
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PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
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10-mer
3gbq
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PDBbind
10-mer
3gds
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10-mer
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PDBbind
10-mer
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
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RCSB PDB
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10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
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3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
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3uvm
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10-mer
3zmp
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PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
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10-mer
4e81
RCSB PDB
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PDBbind
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4er4
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PDBbind
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10-mer
4i2z
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PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
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RCSB PDB
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RCSB PDB
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PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
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PDBbind
10-mer
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10-mer
4lnp
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PDBbind
10-mer
4mdr
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PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
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PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
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PDBbind
10-mer
4z0u
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PDBbind
10-mer
4z7i
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PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
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Entry Information
PDB ID
4hcz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD finger protein 1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=36uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Nat.Struct.Mol.Biol. Vol. 19: pp. 1266-1272
Ligand Properties
Formula
C
4
8
H
8
9
N
1
7
O
1
3
Molecular Weight
1112.330
Exact Mass
1111.680
No. of atoms
167
No. of bonds
168
Polar Surface Area
480.84
LOGP Value
-4.40 (
Computed with XLOGP3
)
-5.30 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 46
No. of Nitrogen and Oxygen Atoms: 30
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)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)Cc1c[nH]cn1)CCCC[NH3+])CCCC[N+](C)(C)C)C(C)C)[C@H](O)C)[NH3+]
InChI String
InChI=1S/C48H85N17O13/c1-27(2)38(62-37(69)24-55-36(68)23-56-44(74)39(28(3)67)63-40(70)30(50)25-66)45(75)58-31(13-8-10-20-65(4,5)6)41(71)59-32(14-7-9-17-49)46(76)64-19-12-16-35(64)43(73)61-34(21-29-22-53-26-57-29)42(72)60-33(47(77)78)15-11-18-54-48(51)52/h22,26-28,30-35,38-39,66-67H,7-21,23-25,49-50H2,1-6H3,(H13-,51,52,53,54,55,56,57,58,59,60,61,62,63,68,69,70,71,72,73,74,75,77,78)/p+4/t28-,30+,31+,32+,33+,34+,35+,38+,39+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6TXQ4
O43189
Entrez Gene ID
NCBI Entrez Gene ID:
5252
ASD
Information of known allosteric effects of PDB entries
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