Browse entries in the PDBbind-CN Database
HEADER 3DGN_COMPLEX COMPND 3DGN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 69 ASP ASP ASP ASP LYS LYS THR ASN TRP LEU LYS ARG ILE SEQRES 2 A 69 TYR ARG VAL ARG PRO CYS VAL LYS CYS LYS VAL ALA PRO SEQRES 3 A 69 ARG ASP TRP LYS VAL LYS ASN LYS HIS LEU ARG ILE TYR SEQRES 4 A 69 ASN MET CYS LYS THR CYS PHE ASN ASN SER ILE ASP ILE SEQRES 5 A 69 GLY ASP ASP THR TYR HIS GLY HIS VAL ASP TRP LEU MET SEQRES 6 A 69 TYR ALA ASP SER HET ZN A 1 1 HET ADP A 104 39 ATOM 1 N ASP A 5 14.264 -31.088 7.590 1.00 37.89 N ATOM 2 CA ASP A 5 13.969 -29.774 6.938 1.00 37.41 C ATOM 3 C ASP A 5 14.073 -29.960 5.408 1.00 36.92 C ATOM 4 O ASP A 5 15.129 -30.456 4.825 1.00 35.55 O ATOM 5 CB ASP A 5 14.918 -28.680 7.436 1.00 37.48 C ATOM 6 CG ASP A 5 14.668 -27.302 6.797 1.00 39.54 C ATOM 7 OD1 ASP A 5 14.156 -27.126 5.663 1.00 40.23 O ATOM 8 OD2 ASP A 5 15.047 -26.325 7.453 1.00 43.85 O ATOM 9 HA ASP A 5 12.962 -29.450 7.199 1.00 0.00 H ATOM 10 HB2 ASP A 5 14.798 -28.586 8.515 1.00 0.00 H ATOM 11 HB3 ASP A 5 15.941 -28.983 7.211 1.00 0.00 H ATOM 12 HN3 ASP A 5 15.224 -31.394 7.331 1.00 0.00 H ATOM 13 HN2 ASP A 5 13.574 -31.796 7.268 1.00 0.00 H ATOM 14 HN1 ASP A 5 14.199 -30.984 8.623 1.00 0.00 H ATOM 15 N ASP A 6 12.938 -29.575 4.793 1.00 35.23 N ATOM 16 CA ASP A 6 12.754 -29.532 3.350 1.00 33.57 C ATOM 17 C ASP A 6 13.812 -28.697 2.530 1.00 32.98 C ATOM 18 O ASP A 6 14.275 -29.142 1.475 1.00 30.75 O ATOM 19 CB ASP A 6 11.276 -29.243 3.046 1.00 33.14 C ATOM 20 CG ASP A 6 10.401 -30.472 3.257 1.00 31.87 C ATOM 21 OD1 ASP A 6 10.924 -31.657 3.331 1.00 25.10 O ATOM 22 OD2 ASP A 6 9.180 -30.201 3.335 1.00 30.22 O ATOM 23 HA ASP A 6 12.991 -30.520 2.956 1.00 0.00 H ATOM 24 HB2 ASP A 6 10.930 -28.446 3.705 1.00 0.00 H ATOM 25 HB3 ASP A 6 11.186 -28.920 2.009 1.00 0.00 H ATOM 26 H ASP A 6 12.137 -29.288 5.391 1.00 0.00 H ATOM 27 N ASP A 7 14.253 -27.543 3.062 1.00 33.53 N ATOM 28 CA ASP A 7 15.416 -26.820 2.463 1.00 34.38 C ATOM 29 C ASP A 7 16.709 -27.652 2.418 1.00 34.75 C ATOM 30 O ASP A 7 17.660 -27.296 1.712 1.00 36.28 O ATOM 31 CB ASP A 7 15.690 -25.477 3.117 1.00 33.42 C ATOM 32 CG ASP A 7 14.567 -24.471 2.907 1.00 36.39 C ATOM 33 OD1 ASP A 7 14.270 -23.682 3.831 1.00 41.90 O ATOM 34 OD2 ASP A 7 13.947 -24.416 1.836 1.00 36.74 O ATOM 35 HA ASP A 7 15.104 -26.640 1.434 1.00 0.00 H ATOM 36 HB2 ASP A 7 15.821 -25.632 4.188 1.00 0.00 H ATOM 37 HB3 ASP A 7 16.608 -25.066 2.696 1.00 0.00 H ATOM 38 H ASP A 7 13.779 -27.149 3.900 1.00 0.00 H ATOM 39 N ASP A 8 16.758 -28.762 3.129 1.00 34.10 N ATOM 40 CA ASP A 8 18.018 -29.448 3.184 1.00 34.68 C ATOM 41 C ASP A 8 17.980 -30.497 2.098 1.00 33.69 C ATOM 42 O ASP A 8 19.053 -30.996 1.630 1.00 33.34 O ATOM 43 CB ASP A 8 18.214 -30.123 4.546 1.00 36.10 C ATOM 44 CG ASP A 8 18.663 -29.143 5.658 1.00 39.40 C ATOM 45 OD1 ASP A 8 18.562 -29.603 6.850 1.00 43.64 O ATOM 46 OD2 ASP A 8 19.060 -27.953 5.349 1.00 37.07 O ATOM 47 HA ASP A 8 18.842 -28.749 3.044 1.00 0.00 H ATOM 48 HB2 ASP A 8 17.270 -30.578 4.846 1.00 0.00 H ATOM 49 HB3 ASP A 8 18.972 -30.899 4.442 1.00 0.00 H ATOM 50 H ASP A 8 15.921 -29.124 3.628 1.00 0.00 H ATOM 51 N LYS A 9 16.744 -30.847 1.722 1.00 30.61 N ATOM 52 CA LYS A 9 16.581 -31.703 0.606 1.00 28.18 C ATOM 53 C LYS A 9 17.056 -30.899 -0.630 1.00 28.78 C ATOM 54 O LYS A 9 17.924 -31.391 -1.410 1.00 28.87 O ATOM 55 CB LYS A 9 15.133 -32.185 0.494 1.00 28.39 C ATOM 56 CG LYS A 9 14.697 -33.413 1.348 1.00 25.13 C ATOM 57 CD LYS A 9 13.170 -33.609 1.330 1.00 23.20 C ATOM 58 CE LYS A 9 12.824 -34.606 2.401 1.00 25.76 C ATOM 59 NZ LYS A 9 12.812 -33.992 3.733 1.00 25.27 N ATOM 60 HA LYS A 9 17.172 -32.614 0.699 1.00 0.00 H ATOM 61 HB2 LYS A 9 14.492 -31.350 0.777 1.00 0.00 H ATOM 62 HB3 LYS A 9 14.957 -32.439 -0.551 1.00 0.00 H ATOM 63 HG2 LYS A 9 15.173 -34.308 0.948 1.00 0.00 H ATOM 64 HG3 LYS A 9 15.021 -33.260 2.377 1.00 0.00 H ATOM 65 HD2 LYS A 9 12.671 -32.661 1.530 1.00 0.00 H ATOM 66 HD3 LYS A 9 12.855 -33.985 0.357 1.00 0.00 H ATOM 67 HE2 LYS A 9 13.562 -35.408 2.388 1.00 0.00 H ATOM 68 HE3 LYS A 9 11.837 -35.019 2.194 1.00 0.00 H ATOM 69 HZ1 LYS A 9 13.753 -33.601 3.942 1.00 0.00 H ATOM 70 HZ2 LYS A 9 12.105 -33.229 3.755 1.00 0.00 H ATOM 71 HZ3 LYS A 9 12.569 -34.712 4.443 1.00 0.00 H ATOM 72 H LYS A 9 15.915 -30.495 2.242 1.00 0.00 H ATOM 73 N LYS A 10 16.566 -29.653 -0.804 1.00 28.03 N ATOM 74 CA LYS A 10 17.027 -28.833 -1.945 1.00 27.28 C ATOM 75 C LYS A 10 18.538 -28.572 -1.900 1.00 27.77 C ATOM 76 O LYS A 10 19.232 -28.830 -2.911 1.00 27.74 O ATOM 77 CB LYS A 10 16.251 -27.538 -2.076 1.00 27.48 C ATOM 78 CG LYS A 10 16.609 -26.594 -3.293 1.00 27.52 C ATOM 79 CD LYS A 10 16.236 -27.099 -4.738 1.00 23.78 C ATOM 80 CE LYS A 10 14.747 -27.231 -4.949 1.00 24.76 C ATOM 81 NZ LYS A 10 14.033 -25.992 -5.423 1.00 28.33 N ATOM 82 HA LYS A 10 16.825 -29.422 -2.840 1.00 0.00 H ATOM 83 HB2 LYS A 10 15.196 -27.796 -2.162 1.00 0.00 H ATOM 84 HB3 LYS A 10 16.411 -26.967 -1.161 1.00 0.00 H ATOM 85 HG2 LYS A 10 16.094 -25.647 -3.135 1.00 0.00 H ATOM 86 HG3 LYS A 10 17.686 -26.428 -3.272 1.00 0.00 H ATOM 87 HD2 LYS A 10 16.629 -26.390 -5.467 1.00 0.00 H ATOM 88 HD3 LYS A 10 16.698 -28.074 -4.896 1.00 0.00 H ATOM 89 HE2 LYS A 10 14.301 -27.531 -4.001 1.00 0.00 H ATOM 90 HE3 LYS A 10 14.583 -28.014 -5.689 1.00 0.00 H ATOM 91 HZ1 LYS A 10 14.159 -25.232 -4.725 1.00 0.00 H ATOM 92 HZ2 LYS A 10 14.429 -25.694 -6.337 1.00 0.00 H ATOM 93 HZ3 LYS A 10 13.020 -26.198 -5.533 1.00 0.00 H ATOM 94 H LYS A 10 15.866 -29.271 -0.137 1.00 0.00 H ATOM 95 N THR A 11 19.071 -28.120 -0.754 1.00 27.01 N ATOM 96 CA THR A 11 20.539 -27.940 -0.631 1.00 26.61 C ATOM 97 C THR A 11 21.427 -29.164 -0.963 1.00 27.79 C ATOM 98 O THR A 11 22.533 -29.000 -1.565 1.00 27.63 O ATOM 99 CB THR A 11 20.827 -27.407 0.725 1.00 27.02 C ATOM 100 OG1 THR A 11 20.220 -26.112 0.770 1.00 27.27 O ATOM 101 CG2 THR A 11 22.366 -27.345 1.106 1.00 24.30 C ATOM 102 HA THR A 11 20.821 -27.236 -1.414 1.00 0.00 H ATOM 103 HB THR A 11 20.418 -28.088 1.471 1.00 0.00 H ATOM 104 HG1 THR A 11 20.615 -25.539 0.066 1.00 0.00 H ATOM 105 HG23 THR A 11 22.791 -28.348 1.060 1.00 0.00 H ATOM 106 HG21 THR A 11 22.887 -26.696 0.403 1.00 0.00 H ATOM 107 HG22 THR A 11 22.473 -26.949 2.116 1.00 0.00 H ATOM 108 H THR A 11 18.453 -27.895 0.051 1.00 0.00 H ATOM 109 N ASN A 12 20.986 -30.380 -0.596 1.00 27.21 N ATOM 110 CA ASN A 12 21.795 -31.520 -0.982 1.00 27.71 C ATOM 111 C ASN A 12 21.481 -31.987 -2.383 1.00 27.46 C ATOM 112 O ASN A 12 22.253 -32.730 -2.962 1.00 28.05 O ATOM 113 CB ASN A 12 21.707 -32.729 -0.039 1.00 28.97 C ATOM 114 CG ASN A 12 21.781 -32.362 1.407 1.00 32.43 C ATOM 115 OD1 ASN A 12 22.228 -31.258 1.829 1.00 37.69 O ATOM 116 ND2 ASN A 12 21.297 -33.289 2.213 1.00 36.14 N ATOM 117 HA ASN A 12 22.813 -31.136 -0.923 1.00 0.00 H ATOM 118 HB2 ASN A 12 20.760 -33.239 -0.218 1.00 0.00 H ATOM 119 HB3 ASN A 12 22.531 -33.405 -0.266 1.00 0.00 H ATOM 120 HD22 ASN A 12 20.939 -34.184 1.821 1.00 0.00 H ATOM 121 HD21 ASN A 12 21.273 -33.125 3.240 1.00 0.00 H ATOM 122 H ASN A 12 20.103 -30.498 -0.059 1.00 0.00 H ATOM 123 N TRP A 13 20.353 -31.622 -2.959 1.00 26.48 N ATOM 124 CA TRP A 13 20.246 -31.956 -4.370 1.00 25.08 C ATOM 125 C TRP A 13 21.186 -31.079 -5.167 1.00 24.59 C ATOM 126 O TRP A 13 21.894 -31.573 -6.005 1.00 24.52 O ATOM 127 CB TRP A 13 18.830 -31.835 -4.873 1.00 24.33 C ATOM 128 CG TRP A 13 18.224 -33.127 -4.897 1.00 23.77 C ATOM 129 CD1 TRP A 13 17.121 -33.511 -4.220 1.00 24.47 C ATOM 130 CD2 TRP A 13 18.648 -34.275 -5.665 1.00 20.11 C ATOM 131 NE1 TRP A 13 16.789 -34.827 -4.534 1.00 20.49 N ATOM 132 CE2 TRP A 13 17.712 -35.320 -5.414 1.00 17.85 C ATOM 133 CE3 TRP A 13 19.668 -34.497 -6.588 1.00 16.34 C ATOM 134 CZ2 TRP A 13 17.812 -36.607 -6.002 1.00 18.11 C ATOM 135 CZ3 TRP A 13 19.727 -35.761 -7.202 1.00 16.12 C ATOM 136 CH2 TRP A 13 18.813 -36.801 -6.895 1.00 15.08 C ATOM 137 HA TRP A 13 20.532 -33.000 -4.499 1.00 0.00 H ATOM 138 HB2 TRP A 13 18.263 -31.179 -4.212 1.00 0.00 H ATOM 139 HB3 TRP A 13 18.836 -31.417 -5.880 1.00 0.00 H ATOM 140 HE1 TRP A 13 15.972 -35.350 -4.160 1.00 0.00 H ATOM 141 HD1 TRP A 13 16.568 -32.880 -3.525 1.00 0.00 H ATOM 142 HZ2 TRP A 13 17.115 -37.405 -5.747 1.00 0.00 H ATOM 143 HH2 TRP A 13 18.917 -37.770 -7.384 1.00 0.00 H ATOM 144 HZ3 TRP A 13 20.505 -35.948 -7.942 1.00 0.00 H ATOM 145 HE3 TRP A 13 20.394 -33.719 -6.826 1.00 0.00 H ATOM 146 H TRP A 13 19.595 -31.131 -2.442 1.00 0.00 H ATOM 147 N LEU A 14 21.201 -29.779 -4.871 1.00 24.51 N ATOM 148 CA LEU A 14 22.057 -28.797 -5.551 1.00 23.83 C ATOM 149 C LEU A 14 23.510 -29.123 -5.324 1.00 24.60 C ATOM 150 O LEU A 14 24.312 -29.167 -6.266 1.00 24.66 O ATOM 151 CB LEU A 14 21.696 -27.402 -5.056 1.00 22.73 C ATOM 152 CG LEU A 14 20.271 -26.955 -5.478 1.00 20.58 C ATOM 153 CD1 LEU A 14 20.006 -25.476 -5.190 1.00 18.00 C ATOM 154 CD2 LEU A 14 20.008 -27.170 -6.999 1.00 19.58 C ATOM 155 HA LEU A 14 21.890 -28.832 -6.628 1.00 0.00 H ATOM 156 HB2 LEU A 14 21.754 -27.394 -3.968 1.00 0.00 H ATOM 157 HB3 LEU A 14 22.417 -26.692 -5.462 1.00 0.00 H ATOM 158 HG LEU A 14 19.605 -27.580 -4.882 1.00 0.00 H ATOM 159 HD21 LEU A 14 20.728 -26.591 -7.576 1.00 0.00 H ATOM 160 HD22 LEU A 14 20.115 -28.228 -7.239 1.00 0.00 H ATOM 161 HD23 LEU A 14 18.997 -26.841 -7.242 1.00 0.00 H ATOM 162 HD11 LEU A 14 20.112 -25.291 -4.121 1.00 0.00 H ATOM 163 HD12 LEU A 14 20.724 -24.866 -5.738 1.00 0.00 H ATOM 164 HD13 LEU A 14 18.994 -25.221 -5.506 1.00 0.00 H ATOM 165 H LEU A 14 20.571 -29.441 -4.116 1.00 0.00 H ATOM 166 N LYS A 15 23.833 -29.451 -4.074 1.00 25.40 N ATOM 167 CA LYS A 15 25.161 -29.889 -3.743 1.00 26.05 C ATOM 168 C LYS A 15 25.572 -31.015 -4.676 1.00 25.74 C ATOM 169 O LYS A 15 26.667 -31.004 -5.273 1.00 27.71 O ATOM 170 CB LYS A 15 25.206 -30.294 -2.294 1.00 27.73 C ATOM 171 CG LYS A 15 26.595 -30.112 -1.532 1.00 31.59 C ATOM 172 CD LYS A 15 26.379 -29.398 -0.132 1.00 38.88 C ATOM 173 CE LYS A 15 25.503 -28.057 -0.169 1.00 44.04 C ATOM 174 NZ LYS A 15 26.028 -26.723 -0.786 1.00 44.10 N ATOM 175 HA LYS A 15 25.877 -29.079 -3.879 1.00 0.00 H ATOM 176 HB2 LYS A 15 24.460 -29.702 -1.764 1.00 0.00 H ATOM 177 HB3 LYS A 15 24.937 -31.349 -2.239 1.00 0.00 H ATOM 178 HG2 LYS A 15 27.045 -31.091 -1.369 1.00 0.00 H ATOM 179 HG3 LYS A 15 27.262 -29.505 -2.144 1.00 0.00 H ATOM 180 HD2 LYS A 15 25.883 -30.105 0.533 1.00 0.00 H ATOM 181 HD3 LYS A 15 27.360 -29.148 0.272 1.00 0.00 H ATOM 182 HE2 LYS A 15 25.252 -27.832 0.867 1.00 0.00 H ATOM 183 HE3 LYS A 15 24.594 -28.305 -0.716 1.00 0.00 H ATOM 184 HZ1 LYS A 15 26.883 -26.420 -0.277 1.00 0.00 H ATOM 185 HZ2 LYS A 15 26.255 -26.872 -1.790 1.00 0.00 H ATOM 186 HZ3 LYS A 15 25.295 -25.991 -0.700 1.00 0.00 H ATOM 187 H LYS A 15 23.113 -29.389 -3.326 1.00 0.00 H ATOM 188 N ARG A 16 24.680 -31.956 -4.870 1.00 25.38 N ATOM 189 CA ARG A 16 24.949 -33.114 -5.748 1.00 25.69 C ATOM 190 C ARG A 16 25.030 -32.780 -7.281 1.00 25.34 C ATOM 191 O ARG A 16 26.052 -33.037 -7.943 1.00 27.32 O ATOM 192 CB ARG A 16 23.885 -34.182 -5.529 1.00 24.50 C ATOM 193 CG ARG A 16 24.115 -35.324 -6.303 1.00 25.76 C ATOM 194 CD ARG A 16 23.135 -36.324 -5.992 1.00 35.07 C ATOM 195 NE ARG A 16 23.406 -37.477 -6.849 1.00 43.60 N ATOM 196 CZ ARG A 16 24.201 -38.502 -6.509 1.00 46.48 C ATOM 197 NH1 ARG A 16 24.776 -38.569 -5.290 1.00 42.54 N ATOM 198 NH2 ARG A 16 24.397 -39.478 -7.400 1.00 46.79 N ATOM 199 HA ARG A 16 25.940 -33.467 -5.463 1.00 0.00 H ATOM 200 HB2 ARG A 16 23.883 -34.465 -4.477 1.00 0.00 H ATOM 201 HB3 ARG A 16 22.912 -33.768 -5.794 1.00 0.00 H ATOM 202 HG2 ARG A 16 24.047 -35.066 -7.360 1.00 0.00 H ATOM 203 HG3 ARG A 16 25.111 -35.713 -6.089 1.00 0.00 H ATOM 204 HD2 ARG A 16 22.134 -35.940 -6.188 1.00 0.00 H ATOM 205 HD3 ARG A 16 23.214 -36.611 -4.943 1.00 0.00 H ATOM 206 HE ARG A 16 22.952 -37.504 -7.784 1.00 0.00 H ATOM 207 HH12 ARG A 16 25.389 -39.373 -5.048 1.00 0.00 H ATOM 208 HH11 ARG A 16 24.606 -37.816 -4.593 1.00 0.00 H ATOM 209 HH22 ARG A 16 25.009 -40.284 -7.162 1.00 0.00 H ATOM 210 HH21 ARG A 16 23.938 -39.431 -8.332 1.00 0.00 H ATOM 211 H ARG A 16 23.758 -31.886 -4.393 1.00 0.00 H ATOM 212 N ILE A 17 23.928 -32.275 -7.822 1.00 23.51 N ATOM 213 CA ILE A 17 23.848 -31.643 -9.131 1.00 21.77 C ATOM 214 C ILE A 17 25.201 -30.996 -9.518 1.00 22.60 C ATOM 215 O ILE A 17 25.788 -31.398 -10.532 1.00 22.50 O ATOM 216 CB ILE A 17 22.612 -30.669 -9.169 1.00 21.12 C ATOM 217 CG1 ILE A 17 21.332 -31.433 -8.697 1.00 20.35 C ATOM 218 CG2 ILE A 17 22.423 -30.112 -10.513 1.00 16.90 C ATOM 219 CD1 ILE A 17 20.051 -30.707 -8.729 1.00 16.19 C ATOM 220 HA ILE A 17 23.670 -32.389 -9.905 1.00 0.00 H ATOM 221 HB ILE A 17 22.798 -29.835 -8.493 1.00 0.00 H ATOM 222 HG12 ILE A 17 21.224 -32.312 -9.332 1.00 0.00 H ATOM 223 HG13 ILE A 17 21.502 -31.749 -7.668 1.00 0.00 H ATOM 224 HD11 ILE A 17 20.116 -29.830 -8.085 1.00 0.00 H ATOM 225 HD12 ILE A 17 19.838 -30.394 -9.751 1.00 0.00 H ATOM 226 HD13 ILE A 17 19.255 -31.362 -8.375 1.00 0.00 H ATOM 227 HG21 ILE A 17 23.315 -29.557 -10.804 1.00 0.00 H ATOM 228 HG22 ILE A 17 22.251 -30.923 -11.220 1.00 0.00 H ATOM 229 HG23 ILE A 17 21.563 -29.443 -10.510 1.00 0.00 H ATOM 230 H ILE A 17 23.051 -32.336 -7.266 1.00 0.00 H ATOM 231 N TYR A 18 25.736 -30.101 -8.665 1.00 21.54 N ATOM 232 CA TYR A 18 26.924 -29.416 -8.974 1.00 20.98 C ATOM 233 C TYR A 18 28.183 -30.378 -8.912 1.00 23.17 C ATOM 234 O TYR A 18 29.136 -30.253 -9.709 1.00 22.99 O ATOM 235 CB TYR A 18 27.002 -28.236 -8.022 1.00 19.28 C ATOM 236 CG TYR A 18 28.233 -27.360 -8.294 1.00 19.90 C ATOM 237 CD1 TYR A 18 28.175 -26.287 -9.221 1.00 21.26 C ATOM 238 CD2 TYR A 18 29.467 -27.637 -7.694 1.00 11.93 C ATOM 239 CE1 TYR A 18 29.308 -25.538 -9.536 1.00 18.00 C ATOM 240 CE2 TYR A 18 30.578 -26.917 -7.988 1.00 11.41 C ATOM 241 CZ TYR A 18 30.499 -25.882 -8.894 1.00 18.87 C ATOM 242 OH TYR A 18 31.595 -25.121 -9.115 1.00 21.05 O ATOM 243 HA TYR A 18 26.924 -29.049 -10.000 1.00 0.00 H ATOM 244 HB3 TYR A 18 27.055 -28.611 -7.000 1.00 0.00 H ATOM 245 HB2 TYR A 18 26.104 -27.629 -8.139 1.00 0.00 H ATOM 246 HD2 TYR A 18 29.537 -28.451 -6.973 1.00 0.00 H ATOM 247 HE2 TYR A 18 31.528 -27.156 -7.510 1.00 0.00 H ATOM 248 HE1 TYR A 18 29.266 -24.718 -10.253 1.00 0.00 H ATOM 249 HD1 TYR A 18 27.225 -26.043 -9.697 1.00 0.00 H ATOM 250 HH TYR A 18 31.382 -24.425 -9.786 1.00 0.00 H ATOM 251 H TYR A 18 25.260 -29.913 -7.759 1.00 0.00 H ATOM 252 N ARG A 19 28.238 -31.302 -7.947 1.00 25.57 N ATOM 253 CA ARG A 19 29.431 -32.164 -7.822 1.00 28.30 C ATOM 254 C ARG A 19 29.496 -33.283 -8.901 1.00 28.47 C ATOM 255 O ARG A 19 30.589 -33.661 -9.307 1.00 28.96 O ATOM 256 CB ARG A 19 29.640 -32.695 -6.370 1.00 29.45 C ATOM 257 CG ARG A 19 30.456 -34.055 -6.237 1.00 34.59 C ATOM 258 CD ARG A 19 30.223 -34.981 -4.870 1.00 45.00 C ATOM 259 NE ARG A 19 28.869 -35.649 -4.709 1.00 49.91 N ATOM 260 CZ ARG A 19 27.893 -35.267 -3.830 1.00 51.55 C ATOM 261 NH1 ARG A 19 28.061 -34.246 -2.943 1.00 44.97 N ATOM 262 NH2 ARG A 19 26.721 -35.910 -3.830 1.00 51.63 N ATOM 263 HA ARG A 19 30.286 -31.520 -8.028 1.00 0.00 H ATOM 264 HB2 ARG A 19 30.174 -31.929 -5.808 1.00 0.00 H ATOM 265 HB3 ARG A 19 28.657 -32.851 -5.926 1.00 0.00 H ATOM 266 HG2 ARG A 19 30.196 -34.674 -7.096 1.00 0.00 H ATOM 267 HG3 ARG A 19 31.515 -33.803 -6.280 1.00 0.00 H ATOM 268 HD2 ARG A 19 30.375 -34.335 -4.006 1.00 0.00 H ATOM 269 HD3 ARG A 19 30.979 -35.767 -4.873 1.00 0.00 H ATOM 270 HE ARG A 19 28.666 -36.467 -5.319 1.00 0.00 H ATOM 271 HH12 ARG A 19 27.291 -33.990 -2.293 1.00 0.00 H ATOM 272 HH11 ARG A 19 28.959 -33.723 -2.916 1.00 0.00 H ATOM 273 HH22 ARG A 19 25.973 -35.627 -3.166 1.00 0.00 H ATOM 274 HH21 ARG A 19 26.558 -36.693 -4.494 1.00 0.00 H ATOM 275 H ARG A 19 27.443 -31.413 -7.286 1.00 0.00 H ATOM 276 N VAL A 20 28.364 -33.760 -9.439 1.00 28.11 N ATOM 277 CA VAL A 20 28.425 -34.839 -10.459 1.00 27.98 C ATOM 278 C VAL A 20 28.319 -34.535 -11.968 1.00 27.95 C ATOM 279 O VAL A 20 28.562 -35.437 -12.813 1.00 28.73 O ATOM 280 CB VAL A 20 27.465 -35.950 -10.140 1.00 28.42 C ATOM 281 CG1 VAL A 20 27.406 -36.191 -8.559 1.00 30.70 C ATOM 282 CG2 VAL A 20 26.126 -35.563 -10.637 1.00 30.78 C ATOM 283 HA VAL A 20 29.478 -35.097 -10.347 1.00 0.00 H ATOM 284 HB VAL A 20 27.794 -36.873 -10.617 1.00 0.00 H ATOM 285 HG11 VAL A 20 28.398 -36.460 -8.197 1.00 0.00 H ATOM 286 HG12 VAL A 20 27.073 -35.278 -8.066 1.00 0.00 H ATOM 287 HG13 VAL A 20 26.707 -36.998 -8.342 1.00 0.00 H ATOM 288 HG21 VAL A 20 25.810 -34.642 -10.147 1.00 0.00 H ATOM 289 HG22 VAL A 20 26.171 -35.405 -11.715 1.00 0.00 H ATOM 290 HG23 VAL A 20 25.414 -36.358 -10.415 1.00 0.00 H ATOM 291 H VAL A 20 27.444 -33.375 -9.143 1.00 0.00 H ATOM 292 N ARG A 21 27.983 -33.300 -12.347 1.00 26.86 N ATOM 293 CA ARG A 21 28.145 -32.860 -13.738 1.00 25.48 C ATOM 294 C ARG A 21 29.141 -31.746 -13.827 1.00 24.06 C ATOM 295 O ARG A 21 28.801 -30.610 -13.567 1.00 24.29 O ATOM 296 CB ARG A 21 26.806 -32.434 -14.307 1.00 26.06 C ATOM 297 CG ARG A 21 25.831 -33.620 -14.276 1.00 29.06 C ATOM 298 CD ARG A 21 24.827 -33.447 -15.294 1.00 32.47 C ATOM 299 NE ARG A 21 25.305 -33.774 -16.644 1.00 38.73 N ATOM 300 CZ ARG A 21 25.294 -35.003 -17.183 1.00 42.51 C ATOM 301 NH1 ARG A 21 24.872 -36.065 -16.467 1.00 44.34 N ATOM 302 NH2 ARG A 21 25.710 -35.179 -18.438 1.00 41.16 N ATOM 303 HA ARG A 21 28.523 -33.695 -14.328 1.00 0.00 H ATOM 304 HB2 ARG A 21 26.402 -31.616 -13.710 1.00 0.00 H ATOM 305 HB3 ARG A 21 26.939 -32.100 -15.336 1.00 0.00 H ATOM 306 HG2 ARG A 21 26.378 -34.545 -14.459 1.00 0.00 H ATOM 307 HG3 ARG A 21 25.352 -33.671 -13.298 1.00 0.00 H ATOM 308 HD2 ARG A 21 24.500 -32.407 -15.285 1.00 0.00 H ATOM 309 HD3 ARG A 21 23.982 -34.094 -15.060 1.00 0.00 H ATOM 310 HE ARG A 21 25.679 -32.996 -17.224 1.00 0.00 H ATOM 311 HH12 ARG A 21 24.868 -37.013 -16.895 1.00 0.00 H ATOM 312 HH11 ARG A 21 24.551 -35.936 -15.486 1.00 0.00 H ATOM 313 HH22 ARG A 21 25.703 -36.130 -18.860 1.00 0.00 H ATOM 314 HH21 ARG A 21 26.041 -34.366 -18.995 1.00 0.00 H ATOM 315 H ARG A 21 27.599 -32.637 -11.644 1.00 0.00 H ATOM 316 N PRO A 22 30.371 -32.074 -14.231 1.00 23.61 N ATOM 317 CA PRO A 22 31.512 -31.169 -14.416 1.00 23.51 C ATOM 318 C PRO A 22 31.323 -30.334 -15.676 1.00 24.08 C ATOM 319 O PRO A 22 30.440 -30.675 -16.485 1.00 25.67 O ATOM 320 CB PRO A 22 32.726 -32.124 -14.582 1.00 23.36 C ATOM 321 CG PRO A 22 32.150 -33.493 -14.953 1.00 24.65 C ATOM 322 CD PRO A 22 30.616 -33.431 -14.778 1.00 24.10 C ATOM 323 HA PRO A 22 31.635 -30.470 -13.589 1.00 0.00 H ATOM 324 HD3 PRO A 22 30.111 -33.560 -15.735 1.00 0.00 H ATOM 325 HD2 PRO A 22 30.274 -34.197 -14.082 1.00 0.00 H ATOM 326 HG3 PRO A 22 32.566 -34.259 -14.299 1.00 0.00 H ATOM 327 HG2 PRO A 22 32.395 -33.729 -15.989 1.00 0.00 H ATOM 328 HB2 PRO A 22 33.384 -31.764 -15.373 1.00 0.00 H ATOM 329 HB3 PRO A 22 33.285 -32.190 -13.648 1.00 0.00 H ATOM 330 N CYS A 23 32.104 -29.239 -15.843 1.00 23.75 N ATOM 331 CA CYS A 23 32.151 -28.428 -17.089 1.00 22.19 C ATOM 332 C CYS A 23 31.691 -29.172 -18.397 1.00 21.93 C ATOM 333 O CYS A 23 32.327 -30.158 -18.735 1.00 21.39 O ATOM 334 CB CYS A 23 33.578 -27.980 -17.317 1.00 20.80 C ATOM 335 SG CYS A 23 33.657 -26.906 -18.799 1.00 22.83 S ATOM 336 HA CYS A 23 31.449 -27.610 -16.926 1.00 0.00 H ATOM 337 HB2 CYS A 23 34.213 -28.853 -17.467 1.00 0.00 H ATOM 338 HB3 CYS A 23 33.927 -27.424 -16.447 1.00 0.00 H ATOM 339 HG CYS A 23 34.960 -26.500 -19.002 1.00 0.00 H ATOM 340 H CYS A 23 32.709 -28.947 -15.049 1.00 0.00 H ATOM 341 N VAL A 24 30.647 -28.749 -19.142 1.00 21.07 N ATOM 342 CA VAL A 24 30.406 -29.423 -20.440 1.00 21.17 C ATOM 343 C VAL A 24 31.675 -29.573 -21.393 1.00 23.37 C ATOM 344 O VAL A 24 31.773 -30.563 -22.171 1.00 24.43 O ATOM 345 CB VAL A 24 29.311 -28.806 -21.245 1.00 20.88 C ATOM 346 CG1 VAL A 24 27.905 -29.005 -20.538 1.00 22.52 C ATOM 347 CG2 VAL A 24 29.656 -27.331 -21.606 1.00 16.15 C ATOM 348 HA VAL A 24 30.117 -30.419 -20.104 1.00 0.00 H ATOM 349 HB VAL A 24 29.224 -29.324 -22.200 1.00 0.00 H ATOM 350 HG11 VAL A 24 27.702 -30.070 -20.429 1.00 0.00 H ATOM 351 HG12 VAL A 24 27.924 -28.535 -19.555 1.00 0.00 H ATOM 352 HG13 VAL A 24 27.126 -28.546 -21.146 1.00 0.00 H ATOM 353 HG21 VAL A 24 29.787 -26.755 -20.690 1.00 0.00 H ATOM 354 HG22 VAL A 24 30.578 -27.307 -22.187 1.00 0.00 H ATOM 355 HG23 VAL A 24 28.843 -26.902 -22.193 1.00 0.00 H ATOM 356 H VAL A 24 30.032 -27.976 -18.816 1.00 0.00 H ATOM 357 N LYS A 25 32.640 -28.636 -21.320 1.00 23.18 N ATOM 358 CA LYS A 25 33.677 -28.556 -22.348 1.00 23.14 C ATOM 359 C LYS A 25 34.905 -29.406 -21.999 1.00 24.70 C ATOM 360 O LYS A 25 35.181 -30.372 -22.683 1.00 25.80 O ATOM 361 CB LYS A 25 34.069 -27.091 -22.698 1.00 22.63 C ATOM 362 CG LYS A 25 35.129 -27.021 -23.803 1.00 18.74 C ATOM 363 CD LYS A 25 34.663 -27.531 -25.098 1.00 15.08 C ATOM 364 CE LYS A 25 35.691 -27.339 -26.181 1.00 17.30 C ATOM 365 NZ LYS A 25 35.313 -27.946 -27.567 1.00 17.42 N ATOM 366 HA LYS A 25 33.238 -28.981 -23.250 1.00 0.00 H ATOM 367 HB2 LYS A 25 33.178 -26.560 -23.032 1.00 0.00 H ATOM 368 HB3 LYS A 25 34.463 -26.610 -21.803 1.00 0.00 H ATOM 369 HG2 LYS A 25 35.427 -25.980 -23.929 1.00 0.00 H ATOM 370 HG3 LYS A 25 35.992 -27.609 -23.491 1.00 0.00 H ATOM 371 HD2 LYS A 25 34.448 -28.595 -25.001 1.00 0.00 H ATOM 372 HD3 LYS A 25 33.752 -27.001 -25.378 1.00 0.00 H ATOM 373 HE2 LYS A 25 36.620 -27.803 -25.851 1.00 0.00 H ATOM 374 HE3 LYS A 25 35.848 -26.268 -26.312 1.00 0.00 H ATOM 375 HZ1 LYS A 25 35.173 -28.972 -27.468 1.00 0.00 H ATOM 376 HZ2 LYS A 25 34.435 -27.506 -27.909 1.00 0.00 H ATOM 377 HZ3 LYS A 25 36.080 -27.763 -28.245 1.00 0.00 H ATOM 378 H LYS A 25 32.648 -27.964 -20.526 1.00 0.00 H ATOM 379 N CYS A 26 35.656 -29.029 -20.961 1.00 25.01 N ATOM 380 CA CYS A 26 36.748 -29.849 -20.444 1.00 24.53 C ATOM 381 C CYS A 26 36.311 -31.142 -19.728 1.00 23.45 C ATOM 382 O CYS A 26 37.018 -32.104 -19.685 1.00 25.08 O ATOM 383 CB CYS A 26 37.627 -28.995 -19.534 1.00 24.60 C ATOM 384 SG CYS A 26 36.921 -28.789 -17.858 1.00 27.25 S ATOM 385 HA CYS A 26 37.308 -30.196 -21.313 1.00 0.00 H ATOM 386 HB2 CYS A 26 37.744 -28.010 -19.986 1.00 0.00 H ATOM 387 HB3 CYS A 26 38.603 -29.471 -19.445 1.00 0.00 H ATOM 388 HG CYS A 26 35.688 -28.176 -17.952 1.00 0.00 H ATOM 389 H CYS A 26 35.455 -28.117 -20.504 1.00 0.00 H ATOM 390 N LYS A 27 35.135 -31.154 -19.180 1.00 23.61 N ATOM 391 CA LYS A 27 34.523 -32.297 -18.452 1.00 24.46 C ATOM 392 C LYS A 27 35.241 -32.837 -17.218 1.00 24.18 C ATOM 393 O LYS A 27 34.981 -33.941 -16.790 1.00 24.79 O ATOM 394 CB LYS A 27 33.885 -33.402 -19.344 1.00 23.28 C ATOM 395 CG LYS A 27 34.714 -33.971 -20.437 1.00 25.34 C ATOM 396 CD LYS A 27 34.205 -33.616 -21.902 1.00 30.92 C ATOM 397 CE LYS A 27 33.009 -34.418 -22.483 1.00 30.96 C ATOM 398 NZ LYS A 27 31.770 -33.657 -22.120 1.00 31.35 N ATOM 399 HA LYS A 27 33.682 -31.772 -17.999 1.00 0.00 H ATOM 400 HB2 LYS A 27 33.600 -34.225 -18.689 1.00 0.00 H ATOM 401 HB3 LYS A 27 32.991 -32.977 -19.801 1.00 0.00 H ATOM 402 HG2 LYS A 27 35.730 -33.591 -20.328 1.00 0.00 H ATOM 403 HG3 LYS A 27 34.720 -35.056 -20.331 1.00 0.00 H ATOM 404 HD2 LYS A 27 33.917 -32.565 -21.897 1.00 0.00 H ATOM 405 HD3 LYS A 27 35.047 -33.757 -22.579 1.00 0.00 H ATOM 406 HE2 LYS A 27 32.979 -35.417 -22.048 1.00 0.00 H ATOM 407 HE3 LYS A 27 33.099 -34.497 -23.566 1.00 0.00 H ATOM 408 HZ1 LYS A 27 31.701 -33.583 -21.085 1.00 0.00 H ATOM 409 HZ2 LYS A 27 31.816 -32.704 -22.535 1.00 0.00 H ATOM 410 HZ3 LYS A 27 30.937 -34.157 -22.489 1.00 0.00 H ATOM 411 H LYS A 27 34.569 -30.285 -19.257 1.00 0.00 H ATOM 412 N VAL A 28 36.086 -31.994 -16.640 1.00 23.65 N ATOM 413 CA VAL A 28 36.821 -32.293 -15.412 1.00 22.59 C ATOM 414 C VAL A 28 36.595 -31.102 -14.499 1.00 23.15 C ATOM 415 O VAL A 28 36.141 -31.279 -13.413 1.00 25.19 O ATOM 416 CB VAL A 28 38.340 -32.490 -15.682 1.00 22.52 C ATOM 417 CG1 VAL A 28 39.169 -32.605 -14.373 1.00 18.66 C ATOM 418 CG2 VAL A 28 38.537 -33.672 -16.640 1.00 21.30 C ATOM 419 HA VAL A 28 36.470 -33.224 -14.967 1.00 0.00 H ATOM 420 HB VAL A 28 38.731 -31.597 -16.169 1.00 0.00 H ATOM 421 HG11 VAL A 28 39.048 -31.694 -13.787 1.00 0.00 H ATOM 422 HG12 VAL A 28 38.817 -33.460 -13.796 1.00 0.00 H ATOM 423 HG13 VAL A 28 40.221 -32.741 -14.622 1.00 0.00 H ATOM 424 HG21 VAL A 28 38.126 -34.576 -16.190 1.00 0.00 H ATOM 425 HG22 VAL A 28 38.023 -33.467 -17.579 1.00 0.00 H ATOM 426 HG23 VAL A 28 39.601 -33.811 -16.830 1.00 0.00 H ATOM 427 H VAL A 28 36.234 -31.066 -17.086 1.00 0.00 H ATOM 428 N ALA A 29 36.863 -29.854 -14.938 1.00 22.43 N ATOM 429 CA ALA A 29 36.704 -28.758 -13.940 1.00 21.93 C ATOM 430 C ALA A 29 35.251 -28.639 -13.582 1.00 23.54 C ATOM 431 O ALA A 29 34.362 -29.003 -14.389 1.00 24.34 O ATOM 432 CB ALA A 29 37.210 -27.460 -14.415 1.00 21.32 C ATOM 433 HA ALA A 29 37.303 -29.020 -13.068 1.00 0.00 H ATOM 434 HB1 ALA A 29 38.273 -27.547 -14.642 1.00 0.00 H ATOM 435 HB2 ALA A 29 36.668 -27.167 -15.314 1.00 0.00 H ATOM 436 HB3 ALA A 29 37.063 -26.708 -13.640 1.00 0.00 H ATOM 437 H ALA A 29 37.163 -29.668 -15.916 1.00 0.00 H ATOM 438 N PRO A 30 34.960 -28.164 -12.369 1.00 24.33 N ATOM 439 CA PRO A 30 33.481 -28.058 -12.251 1.00 24.11 C ATOM 440 C PRO A 30 32.965 -26.703 -12.747 1.00 23.39 C ATOM 441 O PRO A 30 33.726 -25.883 -13.212 1.00 22.44 O ATOM 442 CB PRO A 30 33.240 -28.325 -10.739 1.00 25.25 C ATOM 443 CG PRO A 30 34.557 -27.879 -10.092 1.00 23.73 C ATOM 444 CD PRO A 30 35.639 -28.292 -11.066 1.00 23.76 C ATOM 445 HA PRO A 30 32.930 -28.761 -12.876 1.00 0.00 H ATOM 446 HD3 PRO A 30 36.501 -27.627 -11.003 1.00 0.00 H ATOM 447 HD2 PRO A 30 35.960 -29.318 -10.887 1.00 0.00 H ATOM 448 HG3 PRO A 30 34.698 -28.374 -9.131 1.00 0.00 H ATOM 449 HG2 PRO A 30 34.565 -26.799 -9.947 1.00 0.00 H ATOM 450 HB2 PRO A 30 32.402 -27.736 -10.366 1.00 0.00 H ATOM 451 HB3 PRO A 30 33.051 -29.382 -10.553 1.00 0.00 H ATOM 452 N ARG A 31 31.670 -26.469 -12.661 1.00 23.78 N ATOM 453 CA ARG A 31 31.076 -25.309 -13.351 1.00 24.04 C ATOM 454 C ARG A 31 31.151 -23.975 -12.612 1.00 24.96 C ATOM 455 O ARG A 31 31.067 -23.910 -11.370 1.00 24.76 O ATOM 456 CB ARG A 31 29.622 -25.595 -13.770 1.00 22.40 C ATOM 457 CG ARG A 31 29.514 -26.833 -14.592 1.00 22.70 C ATOM 458 CD ARG A 31 28.238 -27.046 -15.257 1.00 20.62 C ATOM 459 NE ARG A 31 28.209 -28.373 -15.857 1.00 24.95 N ATOM 460 CZ ARG A 31 27.110 -28.878 -16.458 1.00 29.69 C ATOM 461 NH1 ARG A 31 25.985 -28.141 -16.505 1.00 30.77 N ATOM 462 NH2 ARG A 31 27.101 -30.085 -17.037 1.00 21.47 N ATOM 463 HA ARG A 31 31.711 -25.182 -14.228 1.00 0.00 H ATOM 464 HB2 ARG A 31 29.013 -25.713 -12.874 1.00 0.00 H ATOM 465 HB3 ARG A 31 29.250 -24.752 -14.352 1.00 0.00 H ATOM 466 HG2 ARG A 31 30.288 -26.793 -15.359 1.00 0.00 H ATOM 467 HG3 ARG A 31 29.696 -27.685 -13.938 1.00 0.00 H ATOM 468 HD2 ARG A 31 28.105 -26.294 -16.035 1.00 0.00 H ATOM 469 HD3 ARG A 31 27.431 -26.960 -14.529 1.00 0.00 H ATOM 470 HE ARG A 31 29.070 -28.955 -15.821 1.00 0.00 H ATOM 471 HH12 ARG A 31 25.133 -28.521 -16.966 1.00 0.00 H ATOM 472 HH11 ARG A 31 25.967 -27.192 -16.081 1.00 0.00 H ATOM 473 HH22 ARG A 31 26.234 -30.438 -17.490 1.00 0.00 H ATOM 474 HH21 ARG A 31 27.961 -30.670 -17.034 1.00 0.00 H ATOM 475 H ARG A 31 31.065 -27.106 -12.104 1.00 0.00 H ATOM 476 N ASP A 32 31.236 -22.903 -13.403 1.00 25.35 N ATOM 477 CA ASP A 32 31.116 -21.535 -12.862 1.00 25.10 C ATOM 478 C ASP A 32 29.687 -21.416 -12.496 1.00 25.22 C ATOM 479 O ASP A 32 28.882 -22.115 -13.109 1.00 26.15 O ATOM 480 CB ASP A 32 31.439 -20.525 -13.984 1.00 25.60 C ATOM 481 CG ASP A 32 31.655 -19.069 -13.450 1.00 25.81 C ATOM 482 OD1 ASP A 32 31.806 -18.872 -12.223 1.00 20.89 O ATOM 483 OD2 ASP A 32 31.677 -18.122 -14.276 1.00 25.18 O ATOM 484 HA ASP A 32 31.785 -21.344 -12.023 1.00 0.00 H ATOM 485 HB2 ASP A 32 32.348 -20.848 -14.492 1.00 0.00 H ATOM 486 HB3 ASP A 32 30.611 -20.516 -14.693 1.00 0.00 H ATOM 487 H ASP A 32 31.390 -23.035 -14.423 1.00 0.00 H ATOM 488 N TRP A 33 29.336 -20.541 -11.544 1.00 25.13 N ATOM 489 CA TRP A 33 27.928 -20.364 -11.055 1.00 23.89 C ATOM 490 C TRP A 33 27.900 -18.979 -10.554 1.00 25.66 C ATOM 491 O TRP A 33 28.966 -18.385 -10.377 1.00 25.96 O ATOM 492 CB TRP A 33 27.624 -21.248 -9.849 1.00 22.51 C ATOM 493 CG TRP A 33 28.721 -21.171 -8.807 1.00 20.47 C ATOM 494 CD1 TRP A 33 29.947 -21.750 -8.885 1.00 21.54 C ATOM 495 CD2 TRP A 33 28.691 -20.493 -7.530 1.00 22.80 C ATOM 496 NE1 TRP A 33 30.683 -21.479 -7.768 1.00 22.29 N ATOM 497 CE2 TRP A 33 29.936 -20.705 -6.918 1.00 22.30 C ATOM 498 CE3 TRP A 33 27.716 -19.718 -6.834 1.00 24.84 C ATOM 499 CZ2 TRP A 33 30.249 -20.176 -5.664 1.00 23.27 C ATOM 500 CZ3 TRP A 33 28.047 -19.167 -5.572 1.00 22.70 C ATOM 501 CH2 TRP A 33 29.297 -19.399 -5.013 1.00 23.62 C ATOM 502 HA TRP A 33 27.219 -20.603 -11.848 1.00 0.00 H ATOM 503 HB2 TRP A 33 26.686 -20.922 -9.399 1.00 0.00 H ATOM 504 HB3 TRP A 33 27.526 -22.281 -10.183 1.00 0.00 H ATOM 505 HE1 TRP A 33 31.654 -21.807 -7.590 1.00 0.00 H ATOM 506 HD1 TRP A 33 30.296 -22.350 -9.726 1.00 0.00 H ATOM 507 HZ2 TRP A 33 31.219 -20.368 -5.205 1.00 0.00 H ATOM 508 HH2 TRP A 33 29.537 -18.963 -4.043 1.00 0.00 H ATOM 509 HZ3 TRP A 33 27.318 -18.558 -5.037 1.00 0.00 H ATOM 510 HE3 TRP A 33 26.730 -19.552 -7.268 1.00 0.00 H ATOM 511 H TRP A 33 30.081 -19.952 -11.120 1.00 0.00 H ATOM 512 N LYS A 34 26.702 -18.465 -10.281 1.00 27.96 N ATOM 513 CA LYS A 34 26.497 -17.257 -9.466 1.00 30.47 C ATOM 514 C LYS A 34 25.109 -17.281 -8.812 1.00 32.80 C ATOM 515 O LYS A 34 24.185 -17.994 -9.264 1.00 33.79 O ATOM 516 CB LYS A 34 26.727 -15.994 -10.266 1.00 30.73 C ATOM 517 CG LYS A 34 25.520 -15.477 -11.091 1.00 33.35 C ATOM 518 CD LYS A 34 25.842 -14.104 -11.809 1.00 41.42 C ATOM 519 CE LYS A 34 24.594 -13.109 -11.994 1.00 46.17 C ATOM 520 NZ LYS A 34 23.361 -13.640 -12.774 1.00 47.06 N ATOM 521 HA LYS A 34 27.241 -17.255 -8.669 1.00 0.00 H ATOM 522 HB2 LYS A 34 27.016 -15.207 -9.570 1.00 0.00 H ATOM 523 HB3 LYS A 34 27.547 -16.183 -10.959 1.00 0.00 H ATOM 524 HG2 LYS A 34 25.266 -16.220 -11.847 1.00 0.00 H ATOM 525 HG3 LYS A 34 24.671 -15.335 -10.423 1.00 0.00 H ATOM 526 HD2 LYS A 34 26.600 -13.587 -11.220 1.00 0.00 H ATOM 527 HD3 LYS A 34 26.242 -14.328 -12.798 1.00 0.00 H ATOM 528 HE2 LYS A 34 24.956 -12.225 -12.519 1.00 0.00 H ATOM 529 HE3 LYS A 34 24.253 -12.825 -10.999 1.00 0.00 H ATOM 530 HZ1 LYS A 34 23.649 -13.902 -13.738 1.00 0.00 H ATOM 531 HZ2 LYS A 34 22.977 -14.475 -12.287 1.00 0.00 H ATOM 532 HZ3 LYS A 34 22.634 -12.898 -12.818 1.00 0.00 H ATOM 533 H LYS A 34 25.863 -18.945 -10.666 1.00 0.00 H ATOM 534 N VAL A 35 24.976 -16.553 -7.706 1.00 35.05 N ATOM 535 CA VAL A 35 23.750 -16.523 -6.919 1.00 36.84 C ATOM 536 C VAL A 35 22.948 -15.370 -7.400 1.00 38.48 C ATOM 537 O VAL A 35 23.474 -14.289 -7.414 1.00 38.53 O ATOM 538 CB VAL A 35 24.067 -16.262 -5.428 1.00 36.35 C ATOM 539 CG1 VAL A 35 22.784 -16.106 -4.614 1.00 38.84 C ATOM 540 CG2 VAL A 35 24.803 -17.387 -4.868 1.00 35.58 C ATOM 541 HA VAL A 35 23.229 -17.475 -7.022 1.00 0.00 H ATOM 542 HB VAL A 35 24.656 -15.346 -5.377 1.00 0.00 H ATOM 543 HG11 VAL A 35 22.209 -15.265 -5.002 1.00 0.00 H ATOM 544 HG12 VAL A 35 22.193 -17.018 -4.692 1.00 0.00 H ATOM 545 HG13 VAL A 35 23.038 -15.923 -3.570 1.00 0.00 H ATOM 546 HG21 VAL A 35 24.201 -18.292 -4.953 1.00 0.00 H ATOM 547 HG22 VAL A 35 25.737 -17.517 -5.415 1.00 0.00 H ATOM 548 HG23 VAL A 35 25.020 -17.191 -3.818 1.00 0.00 H ATOM 549 H VAL A 35 25.784 -15.980 -7.389 1.00 0.00 H ATOM 550 N LYS A 36 21.692 -15.577 -7.790 1.00 41.81 N ATOM 551 CA LYS A 36 20.808 -14.430 -8.179 1.00 45.41 C ATOM 552 C LYS A 36 19.471 -14.472 -7.435 1.00 46.64 C ATOM 553 O LYS A 36 18.531 -15.215 -7.824 1.00 46.84 O ATOM 554 CB LYS A 36 20.642 -14.197 -9.735 1.00 46.39 C ATOM 555 CG LYS A 36 19.927 -15.301 -10.725 1.00 47.57 C ATOM 556 CD LYS A 36 19.521 -14.649 -12.161 1.00 47.41 C ATOM 557 CE LYS A 36 18.067 -13.933 -12.170 1.00 50.31 C ATOM 558 NZ LYS A 36 16.737 -14.763 -12.344 1.00 44.79 N ATOM 559 HA LYS A 36 21.345 -13.540 -7.851 1.00 0.00 H ATOM 560 HB2 LYS A 36 20.068 -13.277 -9.844 1.00 0.00 H ATOM 561 HB3 LYS A 36 21.648 -14.045 -10.127 1.00 0.00 H ATOM 562 HG2 LYS A 36 20.620 -16.125 -10.894 1.00 0.00 H ATOM 563 HG3 LYS A 36 19.026 -15.679 -10.241 1.00 0.00 H ATOM 564 HD2 LYS A 36 20.272 -13.904 -12.425 1.00 0.00 H ATOM 565 HD3 LYS A 36 19.518 -15.441 -12.909 1.00 0.00 H ATOM 566 HE2 LYS A 36 18.086 -13.209 -12.985 1.00 0.00 H ATOM 567 HE3 LYS A 36 17.978 -13.406 -11.220 1.00 0.00 H ATOM 568 HZ1 LYS A 36 16.759 -15.264 -13.255 1.00 0.00 H ATOM 569 HZ2 LYS A 36 16.656 -15.452 -11.570 1.00 0.00 H ATOM 570 HZ3 LYS A 36 15.922 -14.118 -12.322 1.00 0.00 H ATOM 571 H LYS A 36 21.319 -16.547 -7.825 1.00 0.00 H ATOM 572 N ASN A 37 19.413 -13.668 -6.371 1.00 47.08 N ATOM 573 CA ASN A 37 18.287 -13.689 -5.395 1.00 48.05 C ATOM 574 C ASN A 37 17.684 -14.988 -4.907 1.00 46.99 C ATOM 575 O ASN A 37 17.993 -15.438 -3.821 1.00 47.63 O ATOM 576 CB ASN A 37 17.150 -12.604 -5.566 1.00 49.37 C ATOM 577 CG ASN A 37 16.987 -12.067 -6.993 1.00 52.47 C ATOM 578 OD1 ASN A 37 16.814 -12.837 -7.985 1.00 58.21 O ATOM 579 ND2 ASN A 37 17.007 -10.710 -7.100 1.00 49.70 N ATOM 580 HA ASN A 37 18.954 -13.398 -4.584 1.00 0.00 H ATOM 581 HB2 ASN A 37 16.204 -13.052 -5.261 1.00 0.00 H ATOM 582 HB3 ASN A 37 17.381 -11.764 -4.911 1.00 0.00 H ATOM 583 HD22 ASN A 37 17.153 -10.124 -6.253 1.00 0.00 H ATOM 584 HD21 ASN A 37 16.877 -10.260 -8.028 1.00 0.00 H ATOM 585 H ASN A 37 20.191 -12.995 -6.216 1.00 0.00 H ATOM 586 N LYS A 38 16.764 -15.590 -5.612 1.00 45.31 N ATOM 587 CA LYS A 38 16.324 -16.829 -4.983 1.00 44.40 C ATOM 588 C LYS A 38 16.984 -18.093 -5.668 1.00 40.63 C ATOM 589 O LYS A 38 16.863 -19.202 -5.198 1.00 39.45 O ATOM 590 CB LYS A 38 14.751 -16.826 -4.697 1.00 45.69 C ATOM 591 CG LYS A 38 14.308 -15.851 -3.436 1.00 50.92 C ATOM 592 CD LYS A 38 12.833 -16.115 -2.723 1.00 55.84 C ATOM 593 CE LYS A 38 12.645 -15.490 -1.234 1.00 54.85 C ATOM 594 NZ LYS A 38 11.310 -15.835 -0.614 1.00 50.36 N ATOM 595 HA LYS A 38 16.716 -16.907 -3.969 1.00 0.00 H ATOM 596 HB2 LYS A 38 14.238 -16.482 -5.595 1.00 0.00 H ATOM 597 HB3 LYS A 38 14.440 -17.846 -4.470 1.00 0.00 H ATOM 598 HG2 LYS A 38 15.066 -15.960 -2.661 1.00 0.00 H ATOM 599 HG3 LYS A 38 14.311 -14.825 -3.804 1.00 0.00 H ATOM 600 HD2 LYS A 38 12.068 -15.682 -3.367 1.00 0.00 H ATOM 601 HD3 LYS A 38 12.682 -17.192 -2.655 1.00 0.00 H ATOM 602 HE2 LYS A 38 12.728 -14.405 -1.299 1.00 0.00 H ATOM 603 HE3 LYS A 38 13.437 -15.876 -0.592 1.00 0.00 H ATOM 604 HZ1 LYS A 38 10.545 -15.464 -1.213 1.00 0.00 H ATOM 605 HZ2 LYS A 38 11.221 -16.868 -0.537 1.00 0.00 H ATOM 606 HZ3 LYS A 38 11.249 -15.409 0.333 1.00 0.00 H ATOM 607 H LYS A 38 16.391 -15.229 -6.513 1.00 0.00 H ATOM 608 N HIS A 39 17.711 -17.868 -6.761 1.00 37.37 N ATOM 609 CA HIS A 39 18.163 -18.940 -7.641 1.00 34.71 C ATOM 610 C HIS A 39 19.628 -19.061 -7.636 1.00 32.58 C ATOM 611 O HIS A 39 20.341 -18.047 -7.477 1.00 32.81 O ATOM 612 CB HIS A 39 17.663 -18.708 -9.055 1.00 34.97 C ATOM 613 CG HIS A 39 16.188 -18.570 -9.089 1.00 36.42 C ATOM 614 ND1 HIS A 39 15.543 -17.484 -8.529 1.00 40.09 N ATOM 615 CD2 HIS A 39 15.218 -19.446 -9.423 1.00 41.09 C ATOM 616 CE1 HIS A 39 14.235 -17.658 -8.592 1.00 41.35 C ATOM 617 NE2 HIS A 39 14.008 -18.842 -9.131 1.00 42.63 N ATOM 618 HA HIS A 39 17.748 -19.875 -7.264 1.00 0.00 H ATOM 619 HB2 HIS A 39 18.114 -17.796 -9.446 1.00 0.00 H ATOM 620 HB3 HIS A 39 17.955 -19.553 -9.678 1.00 0.00 H ATOM 621 HD2 HIS A 39 15.361 -20.441 -9.843 1.00 0.00 H ATOM 622 HE1 HIS A 39 13.477 -16.949 -8.258 1.00 0.00 H ATOM 623 H HIS A 39 17.967 -16.888 -6.997 1.00 0.00 H ATOM 624 N LEU A 40 20.084 -20.301 -7.735 1.00 29.81 N ATOM 625 CA LEU A 40 21.475 -20.550 -8.094 1.00 27.58 C ATOM 626 C LEU A 40 21.542 -20.857 -9.574 1.00 26.15 C ATOM 627 O LEU A 40 20.877 -21.775 -10.052 1.00 25.00 O ATOM 628 CB LEU A 40 22.066 -21.708 -7.300 1.00 26.85 C ATOM 629 CG LEU A 40 23.449 -22.135 -7.826 1.00 24.71 C ATOM 630 CD1 LEU A 40 24.676 -21.443 -7.180 1.00 16.56 C ATOM 631 CD2 LEU A 40 23.459 -23.618 -7.594 1.00 23.22 C ATOM 632 HA LEU A 40 22.060 -19.661 -7.858 1.00 0.00 H ATOM 633 HB2 LEU A 40 22.166 -21.404 -6.258 1.00 0.00 H ATOM 634 HB3 LEU A 40 21.388 -22.559 -7.365 1.00 0.00 H ATOM 635 HG LEU A 40 23.563 -21.834 -8.867 1.00 0.00 H ATOM 636 HD21 LEU A 40 23.336 -23.819 -6.530 1.00 0.00 H ATOM 637 HD22 LEU A 40 22.640 -24.077 -8.149 1.00 0.00 H ATOM 638 HD23 LEU A 40 24.408 -24.032 -7.936 1.00 0.00 H ATOM 639 HD11 LEU A 40 24.613 -20.367 -7.343 1.00 0.00 H ATOM 640 HD12 LEU A 40 24.686 -21.649 -6.110 1.00 0.00 H ATOM 641 HD13 LEU A 40 25.589 -21.828 -7.634 1.00 0.00 H ATOM 642 H LEU A 40 19.446 -21.102 -7.555 1.00 0.00 H ATOM 643 N ARG A 41 22.342 -20.063 -10.265 1.00 24.75 N ATOM 644 CA ARG A 41 22.532 -20.169 -11.709 1.00 24.84 C ATOM 645 C ARG A 41 23.831 -20.960 -11.882 1.00 25.26 C ATOM 646 O ARG A 41 24.894 -20.447 -11.534 1.00 26.29 O ATOM 647 CB ARG A 41 22.694 -18.742 -12.304 1.00 23.18 C ATOM 648 CG ARG A 41 23.277 -18.697 -13.681 1.00 23.08 C ATOM 649 CD ARG A 41 22.875 -17.504 -14.565 1.00 18.68 C ATOM 650 NE ARG A 41 21.435 -17.476 -14.794 1.00 19.66 N ATOM 651 CZ ARG A 41 20.792 -16.441 -15.346 1.00 20.16 C ATOM 652 NH1 ARG A 41 21.495 -15.403 -15.730 1.00 17.55 N ATOM 653 NH2 ARG A 41 19.463 -16.410 -15.515 1.00 19.89 N ATOM 654 HA ARG A 41 21.694 -20.652 -12.211 1.00 0.00 H ATOM 655 HB2 ARG A 41 21.710 -18.275 -12.337 1.00 0.00 H ATOM 656 HB3 ARG A 41 23.344 -18.170 -11.642 1.00 0.00 H ATOM 657 HG2 ARG A 41 24.362 -18.682 -13.580 1.00 0.00 H ATOM 658 HG3 ARG A 41 22.974 -19.608 -14.198 1.00 0.00 H ATOM 659 HD2 ARG A 41 23.386 -17.584 -15.524 1.00 0.00 H ATOM 660 HD3 ARG A 41 23.174 -16.579 -14.072 1.00 0.00 H ATOM 661 HE ARG A 41 20.877 -18.307 -14.512 1.00 0.00 H ATOM 662 HH12 ARG A 41 21.020 -14.585 -16.162 1.00 0.00 H ATOM 663 HH11 ARG A 41 22.527 -15.398 -15.602 1.00 0.00 H ATOM 664 HH22 ARG A 41 19.013 -15.579 -15.950 1.00 0.00 H ATOM 665 HH21 ARG A 41 18.881 -17.217 -15.211 1.00 0.00 H ATOM 666 H ARG A 41 22.864 -19.323 -9.753 1.00 0.00 H ATOM 667 N ILE A 42 23.761 -22.210 -12.368 1.00 25.03 N ATOM 668 CA ILE A 42 24.967 -23.045 -12.747 1.00 23.85 C ATOM 669 C ILE A 42 25.217 -22.895 -14.280 1.00 23.51 C ATOM 670 O ILE A 42 24.364 -23.315 -15.090 1.00 24.11 O ATOM 671 CB ILE A 42 24.760 -24.587 -12.357 1.00 23.64 C ATOM 672 CG1 ILE A 42 23.871 -24.745 -11.101 1.00 22.35 C ATOM 673 CG2 ILE A 42 26.046 -25.346 -12.186 1.00 21.21 C ATOM 674 CD1 ILE A 42 23.981 -26.076 -10.360 1.00 13.43 C ATOM 675 HA ILE A 42 25.835 -22.689 -12.192 1.00 0.00 H ATOM 676 HB ILE A 42 24.247 -25.030 -13.211 1.00 0.00 H ATOM 677 HG12 ILE A 42 24.138 -23.952 -10.402 1.00 0.00 H ATOM 678 HG13 ILE A 42 22.833 -24.621 -11.410 1.00 0.00 H ATOM 679 HD11 ILE A 42 23.702 -26.888 -11.031 1.00 0.00 H ATOM 680 HD12 ILE A 42 25.008 -26.219 -10.023 1.00 0.00 H ATOM 681 HD13 ILE A 42 23.312 -26.068 -9.499 1.00 0.00 H ATOM 682 HG21 ILE A 42 26.609 -25.320 -13.119 1.00 0.00 H ATOM 683 HG22 ILE A 42 26.635 -24.886 -11.392 1.00 0.00 H ATOM 684 HG23 ILE A 42 25.824 -26.380 -11.923 1.00 0.00 H ATOM 685 H ILE A 42 22.819 -22.632 -12.492 1.00 0.00 H ATOM 686 N TYR A 43 26.321 -22.245 -14.677 1.00 21.92 N ATOM 687 CA TYR A 43 26.687 -22.041 -16.114 1.00 20.36 C ATOM 688 C TYR A 43 27.123 -23.352 -16.652 1.00 20.28 C ATOM 689 O TYR A 43 27.653 -24.150 -15.888 1.00 22.06 O ATOM 690 CB TYR A 43 27.857 -21.085 -16.197 1.00 19.51 C ATOM 691 CG TYR A 43 27.446 -19.700 -15.746 1.00 20.04 C ATOM 692 CD1 TYR A 43 26.541 -18.928 -16.512 1.00 18.03 C ATOM 693 CD2 TYR A 43 27.935 -19.146 -14.553 1.00 23.29 C ATOM 694 CE1 TYR A 43 26.101 -17.662 -16.107 1.00 17.05 C ATOM 695 CE2 TYR A 43 27.468 -17.826 -14.115 1.00 24.61 C ATOM 696 CZ TYR A 43 26.531 -17.127 -14.936 1.00 20.55 C ATOM 697 OH TYR A 43 26.113 -15.875 -14.592 1.00 20.74 O ATOM 698 HA TYR A 43 25.840 -21.641 -16.672 1.00 0.00 H ATOM 699 HB3 TYR A 43 28.208 -21.037 -17.228 1.00 0.00 H ATOM 700 HB2 TYR A 43 28.662 -21.447 -15.557 1.00 0.00 H ATOM 701 HD2 TYR A 43 28.660 -19.695 -13.953 1.00 0.00 H ATOM 702 HE2 TYR A 43 27.828 -17.388 -13.184 1.00 0.00 H ATOM 703 HE1 TYR A 43 25.409 -17.102 -16.736 1.00 0.00 H ATOM 704 HD1 TYR A 43 26.172 -19.334 -17.454 1.00 0.00 H ATOM 705 HH TYR A 43 25.470 -15.545 -15.269 1.00 0.00 H ATOM 706 H TYR A 43 26.956 -21.863 -13.948 1.00 0.00 H ATOM 707 N ASN A 44 26.916 -23.642 -17.919 1.00 19.64 N ATOM 708 CA ASN A 44 27.464 -24.901 -18.453 1.00 20.87 C ATOM 709 C ASN A 44 29.030 -25.167 -18.350 1.00 20.79 C ATOM 710 O ASN A 44 29.476 -26.306 -18.226 1.00 19.98 O ATOM 711 CB ASN A 44 27.004 -25.042 -19.885 1.00 21.12 C ATOM 712 CG ASN A 44 25.559 -24.863 -20.021 1.00 24.96 C ATOM 713 OD1 ASN A 44 24.808 -25.091 -19.060 1.00 33.99 O ATOM 714 ND2 ASN A 44 25.116 -24.483 -21.204 1.00 26.06 N ATOM 715 HA ASN A 44 27.069 -25.665 -17.783 1.00 0.00 H ATOM 716 HB2 ASN A 44 27.510 -24.291 -20.492 1.00 0.00 H ATOM 717 HB3 ASN A 44 27.270 -26.036 -20.243 1.00 0.00 H ATOM 718 HD22 ASN A 44 25.787 -24.304 -21.978 1.00 0.00 H ATOM 719 HD21 ASN A 44 24.095 -24.362 -21.363 1.00 0.00 H ATOM 720 H ASN A 44 26.377 -22.996 -18.530 1.00 0.00 H ATOM 721 N MET A 45 29.832 -24.103 -18.403 1.00 21.45 N ATOM 722 CA MET A 45 31.277 -24.216 -18.422 1.00 22.42 C ATOM 723 C MET A 45 32.045 -23.761 -17.164 1.00 22.02 C ATOM 724 O MET A 45 31.524 -22.969 -16.325 1.00 21.83 O ATOM 725 CB MET A 45 31.792 -23.447 -19.637 1.00 23.68 C ATOM 726 CG MET A 45 31.508 -24.221 -20.932 1.00 25.19 C ATOM 727 SD MET A 45 32.364 -23.576 -22.366 1.00 24.54 S ATOM 728 CE MET A 45 31.403 -22.096 -22.791 1.00 24.20 C ATOM 729 HA MET A 45 31.475 -25.287 -18.463 1.00 0.00 H ATOM 730 HB2 MET A 45 31.296 -22.478 -19.683 1.00 0.00 H ATOM 731 HB3 MET A 45 32.867 -23.299 -19.537 1.00 0.00 H ATOM 732 HG2 MET A 45 30.436 -24.184 -21.126 1.00 0.00 H ATOM 733 HG3 MET A 45 31.814 -25.257 -20.787 1.00 0.00 H ATOM 734 HE1 MET A 45 30.375 -22.383 -23.012 1.00 0.00 H ATOM 735 HE2 MET A 45 31.415 -21.403 -21.950 1.00 0.00 H ATOM 736 HE3 MET A 45 31.844 -21.617 -23.665 1.00 0.00 H ATOM 737 H MET A 45 29.404 -23.155 -18.432 1.00 0.00 H ATOM 738 N CYS A 46 33.282 -24.268 -17.004 1.00 20.45 N ATOM 739 CA CYS A 46 34.072 -23.722 -15.919 1.00 20.04 C ATOM 740 C CYS A 46 34.571 -22.296 -16.383 1.00 20.54 C ATOM 741 O CYS A 46 34.395 -21.877 -17.509 1.00 20.40 O ATOM 742 CB CYS A 46 35.213 -24.666 -15.588 1.00 19.57 C ATOM 743 SG CYS A 46 36.430 -24.761 -16.930 1.00 21.49 S ATOM 744 HA CYS A 46 33.491 -23.615 -15.003 1.00 0.00 H ATOM 745 HB2 CYS A 46 34.806 -25.662 -15.411 1.00 0.00 H ATOM 746 HB3 CYS A 46 35.711 -24.313 -14.685 1.00 0.00 H ATOM 747 HG CYS A 46 37.440 -25.631 -16.572 1.00 0.00 H ATOM 748 H CYS A 46 33.652 -25.014 -17.628 1.00 0.00 H ATOM 749 N LYS A 47 35.167 -21.510 -15.528 1.00 20.91 N ATOM 750 CA LYS A 47 35.527 -20.226 -15.992 1.00 21.76 C ATOM 751 C LYS A 47 36.508 -20.319 -17.180 1.00 23.60 C ATOM 752 O LYS A 47 36.290 -19.646 -18.207 1.00 25.32 O ATOM 753 CB LYS A 47 36.167 -19.458 -14.861 1.00 21.53 C ATOM 754 CG LYS A 47 36.207 -17.965 -15.123 1.00 22.38 C ATOM 755 CD LYS A 47 34.809 -17.347 -15.176 1.00 19.23 C ATOM 756 CE LYS A 47 34.849 -16.106 -15.989 1.00 18.14 C ATOM 757 NZ LYS A 47 33.514 -15.481 -15.852 1.00 18.26 N ATOM 758 HA LYS A 47 34.629 -19.712 -16.336 1.00 0.00 H ATOM 759 HB2 LYS A 47 35.597 -19.638 -13.949 1.00 0.00 H ATOM 760 HB3 LYS A 47 37.187 -19.817 -14.727 1.00 0.00 H ATOM 761 HG2 LYS A 47 36.773 -17.484 -14.325 1.00 0.00 H ATOM 762 HG3 LYS A 47 36.705 -17.789 -16.077 1.00 0.00 H ATOM 763 HD2 LYS A 47 34.115 -18.056 -15.627 1.00 0.00 H ATOM 764 HD3 LYS A 47 34.478 -17.109 -14.165 1.00 0.00 H ATOM 765 HE2 LYS A 47 35.050 -16.344 -17.034 1.00 0.00 H ATOM 766 HE3 LYS A 47 35.622 -15.434 -15.616 1.00 0.00 H ATOM 767 HZ1 LYS A 47 32.788 -16.137 -16.204 1.00 0.00 H ATOM 768 HZ2 LYS A 47 33.334 -15.268 -14.850 1.00 0.00 H ATOM 769 HZ3 LYS A 47 33.486 -14.601 -16.406 1.00 0.00 H ATOM 770 H LYS A 47 35.367 -21.814 -14.554 1.00 0.00 H ATOM 771 N THR A 48 37.582 -21.116 -17.054 1.00 24.02 N ATOM 772 CA THR A 48 38.673 -21.134 -18.014 1.00 23.34 C ATOM 773 C THR A 48 38.076 -21.452 -19.395 1.00 24.88 C ATOM 774 O THR A 48 38.322 -20.691 -20.377 1.00 26.24 O ATOM 775 CB THR A 48 39.658 -22.272 -17.767 1.00 23.10 C ATOM 776 OG1 THR A 48 39.990 -22.429 -16.363 1.00 23.51 O ATOM 777 CG2 THR A 48 40.875 -22.036 -18.623 1.00 21.40 C ATOM 778 HA THR A 48 39.178 -20.171 -17.937 1.00 0.00 H ATOM 779 HB THR A 48 39.193 -23.217 -18.049 1.00 0.00 H ATOM 780 HG1 THR A 48 40.630 -23.177 -16.258 1.00 0.00 H ATOM 781 HG23 THR A 48 40.570 -21.925 -19.664 1.00 0.00 H ATOM 782 HG21 THR A 48 41.380 -21.128 -18.293 1.00 0.00 H ATOM 783 HG22 THR A 48 41.553 -22.884 -18.530 1.00 0.00 H ATOM 784 H THR A 48 37.635 -21.750 -16.231 1.00 0.00 H ATOM 785 N CYS A 49 37.301 -22.549 -19.503 1.00 23.91 N ATOM 786 CA CYS A 49 36.794 -22.942 -20.820 1.00 23.04 C ATOM 787 C CYS A 49 35.860 -21.890 -21.328 1.00 22.87 C ATOM 788 O CYS A 49 35.858 -21.613 -22.524 1.00 23.81 O ATOM 789 CB CYS A 49 36.045 -24.267 -20.786 1.00 23.12 C ATOM 790 SG CYS A 49 37.102 -25.606 -20.390 1.00 25.74 S ATOM 791 HA CYS A 49 37.659 -23.056 -21.473 1.00 0.00 H ATOM 792 HB2 CYS A 49 35.601 -24.446 -21.765 1.00 0.00 H ATOM 793 HB3 CYS A 49 35.256 -24.207 -20.036 1.00 0.00 H ATOM 794 HG CYS A 49 36.372 -26.777 -20.374 1.00 0.00 H ATOM 795 H CYS A 49 37.065 -23.111 -18.660 1.00 0.00 H ATOM 796 N PHE A 50 35.034 -21.319 -20.459 1.00 21.79 N ATOM 797 CA PHE A 50 34.150 -20.244 -20.914 1.00 22.22 C ATOM 798 C PHE A 50 34.871 -19.053 -21.633 1.00 23.52 C ATOM 799 O PHE A 50 34.493 -18.655 -22.808 1.00 23.25 O ATOM 800 CB PHE A 50 33.279 -19.672 -19.809 1.00 21.03 C ATOM 801 CG PHE A 50 32.460 -18.558 -20.287 1.00 18.70 C ATOM 802 CD1 PHE A 50 31.551 -18.775 -21.312 1.00 16.03 C ATOM 803 CD2 PHE A 50 32.639 -17.237 -19.746 1.00 19.06 C ATOM 804 CE1 PHE A 50 30.745 -17.647 -21.825 1.00 23.97 C ATOM 805 CE2 PHE A 50 31.886 -16.124 -20.180 1.00 16.68 C ATOM 806 CZ PHE A 50 30.924 -16.299 -21.266 1.00 19.41 C ATOM 807 HA PHE A 50 33.528 -20.755 -21.649 1.00 0.00 H ATOM 808 HB2 PHE A 50 32.623 -20.457 -19.434 1.00 0.00 H ATOM 809 HB3 PHE A 50 33.920 -19.319 -19.001 1.00 0.00 H ATOM 810 HD2 PHE A 50 33.388 -17.089 -18.968 1.00 0.00 H ATOM 811 HE2 PHE A 50 32.020 -15.149 -19.712 1.00 0.00 H ATOM 812 HZ PHE A 50 30.355 -15.453 -21.651 1.00 0.00 H ATOM 813 HE1 PHE A 50 30.017 -17.815 -22.619 1.00 0.00 H ATOM 814 HD1 PHE A 50 31.432 -19.772 -21.737 1.00 0.00 H ATOM 815 H PHE A 50 35.015 -21.632 -19.467 1.00 0.00 H ATOM 816 N ASN A 51 35.881 -18.489 -20.928 1.00 23.25 N ATOM 817 CA ASN A 51 36.753 -17.437 -21.481 1.00 22.91 C ATOM 818 C ASN A 51 37.440 -17.838 -22.796 1.00 23.55 C ATOM 819 O ASN A 51 37.675 -17.026 -23.703 1.00 23.52 O ATOM 820 CB ASN A 51 37.819 -17.155 -20.476 1.00 22.56 C ATOM 821 CG ASN A 51 37.304 -16.384 -19.242 1.00 22.53 C ATOM 822 OD1 ASN A 51 36.287 -15.653 -19.295 1.00 23.55 O ATOM 823 ND2 ASN A 51 38.069 -16.501 -18.119 1.00 15.03 N ATOM 824 HA ASN A 51 36.125 -16.572 -21.694 1.00 0.00 H ATOM 825 HB2 ASN A 51 38.239 -18.103 -20.141 1.00 0.00 H ATOM 826 HB3 ASN A 51 38.598 -16.562 -20.955 1.00 0.00 H ATOM 827 HD22 ASN A 51 38.905 -17.120 -18.121 1.00 0.00 H ATOM 828 HD21 ASN A 51 37.817 -15.971 -17.260 1.00 0.00 H ATOM 829 H ASN A 51 36.049 -18.812 -19.954 1.00 0.00 H ATOM 830 N ASN A 52 37.772 -19.118 -22.887 1.00 23.63 N ATOM 831 CA ASN A 52 38.430 -19.642 -24.052 1.00 23.23 C ATOM 832 C ASN A 52 37.452 -19.763 -25.216 1.00 21.84 C ATOM 833 O ASN A 52 37.763 -19.391 -26.338 1.00 22.94 O ATOM 834 CB ASN A 52 38.981 -21.005 -23.698 1.00 24.12 C ATOM 835 CG ASN A 52 39.626 -21.664 -24.869 1.00 29.44 C ATOM 836 OD1 ASN A 52 40.559 -21.055 -25.458 1.00 38.44 O ATOM 837 ND2 ASN A 52 39.149 -22.890 -25.266 1.00 25.67 N ATOM 838 HA ASN A 52 39.231 -18.970 -24.359 1.00 0.00 H ATOM 839 HB2 ASN A 52 39.721 -20.892 -22.905 1.00 0.00 H ATOM 840 HB3 ASN A 52 38.165 -21.635 -23.344 1.00 0.00 H ATOM 841 HD22 ASN A 52 38.376 -23.343 -24.738 1.00 0.00 H ATOM 842 HD21 ASN A 52 39.561 -23.365 -26.094 1.00 0.00 H ATOM 843 H ASN A 52 37.551 -19.758 -22.097 1.00 0.00 H ATOM 844 N SER A 53 36.260 -20.251 -24.961 1.00 18.74 N ATOM 845 CA SER A 53 35.271 -20.195 -25.980 1.00 17.35 C ATOM 846 C SER A 53 34.966 -18.763 -26.537 1.00 17.78 C ATOM 847 O SER A 53 34.482 -18.610 -27.685 1.00 18.29 O ATOM 848 CB SER A 53 34.005 -20.814 -25.473 1.00 17.11 C ATOM 849 OG SER A 53 33.296 -19.793 -24.839 1.00 14.14 O ATOM 850 HA SER A 53 35.685 -20.750 -26.822 1.00 0.00 H ATOM 851 HB2 SER A 53 34.232 -21.612 -24.766 1.00 0.00 H ATOM 852 HB3 SER A 53 33.424 -21.219 -26.302 1.00 0.00 H ATOM 853 HG SER A 53 33.838 -19.430 -24.094 1.00 0.00 H ATOM 854 H SER A 53 36.044 -20.669 -24.034 1.00 0.00 H ATOM 855 N ILE A 54 35.195 -17.717 -25.756 1.00 17.26 N ATOM 856 CA ILE A 54 35.054 -16.422 -26.314 1.00 17.48 C ATOM 857 C ILE A 54 36.253 -16.286 -27.266 1.00 19.27 C ATOM 858 O ILE A 54 36.039 -15.936 -28.431 1.00 19.89 O ATOM 859 CB ILE A 54 35.110 -15.299 -25.240 1.00 18.92 C ATOM 860 CG1 ILE A 54 33.903 -15.328 -24.276 1.00 20.10 C ATOM 861 CG2 ILE A 54 35.244 -13.877 -25.921 1.00 14.97 C ATOM 862 CD1 ILE A 54 32.527 -14.801 -24.984 1.00 23.58 C ATOM 863 HA ILE A 54 34.087 -16.313 -26.805 1.00 0.00 H ATOM 864 HB ILE A 54 35.998 -15.490 -24.637 1.00 0.00 H ATOM 865 HG12 ILE A 54 33.752 -16.352 -23.935 1.00 0.00 H ATOM 866 HG13 ILE A 54 34.123 -14.690 -23.420 1.00 0.00 H ATOM 867 HD11 ILE A 54 32.664 -13.774 -25.322 1.00 0.00 H ATOM 868 HD12 ILE A 54 32.292 -15.437 -25.837 1.00 0.00 H ATOM 869 HD13 ILE A 54 31.710 -14.842 -24.263 1.00 0.00 H ATOM 870 HG21 ILE A 54 36.159 -13.844 -26.513 1.00 0.00 H ATOM 871 HG22 ILE A 54 34.384 -13.703 -26.568 1.00 0.00 H ATOM 872 HG23 ILE A 54 35.281 -13.108 -25.149 1.00 0.00 H ATOM 873 H ILE A 54 35.471 -17.843 -24.761 1.00 0.00 H ATOM 874 N ASP A 55 37.493 -16.563 -26.817 1.00 19.24 N ATOM 875 CA ASP A 55 38.623 -16.386 -27.711 1.00 21.59 C ATOM 876 C ASP A 55 38.576 -17.143 -29.002 1.00 22.09 C ATOM 877 O ASP A 55 39.070 -16.662 -30.010 1.00 21.64 O ATOM 878 CB ASP A 55 39.911 -16.759 -27.078 1.00 23.25 C ATOM 879 CG ASP A 55 40.080 -16.145 -25.686 1.00 30.12 C ATOM 880 OD1 ASP A 55 40.182 -14.873 -25.549 1.00 28.99 O ATOM 881 OD2 ASP A 55 40.109 -16.979 -24.737 1.00 39.82 O ATOM 882 HA ASP A 55 38.552 -15.321 -27.930 1.00 0.00 H ATOM 883 HB2 ASP A 55 39.956 -17.844 -26.989 1.00 0.00 H ATOM 884 HB3 ASP A 55 40.726 -16.414 -27.714 1.00 0.00 H ATOM 885 H ASP A 55 37.638 -16.899 -25.844 1.00 0.00 H ATOM 886 N ILE A 56 38.018 -18.352 -28.971 1.00 22.88 N ATOM 887 CA ILE A 56 38.079 -19.200 -30.141 1.00 22.67 C ATOM 888 C ILE A 56 36.806 -18.920 -30.950 1.00 24.18 C ATOM 889 O ILE A 56 36.587 -19.529 -32.030 1.00 24.99 O ATOM 890 CB ILE A 56 38.194 -20.705 -29.791 1.00 22.15 C ATOM 891 CG1 ILE A 56 36.877 -21.221 -29.204 1.00 23.48 C ATOM 892 CG2 ILE A 56 39.387 -21.001 -28.859 1.00 19.63 C ATOM 893 CD1 ILE A 56 36.863 -22.748 -28.828 1.00 18.63 C ATOM 894 HA ILE A 56 38.978 -18.972 -30.713 1.00 0.00 H ATOM 895 HB ILE A 56 38.390 -21.244 -30.718 1.00 0.00 H ATOM 896 HG12 ILE A 56 36.663 -20.649 -28.301 1.00 0.00 H ATOM 897 HG13 ILE A 56 36.090 -21.047 -29.937 1.00 0.00 H ATOM 898 HD11 ILE A 56 37.059 -23.342 -29.720 1.00 0.00 H ATOM 899 HD12 ILE A 56 37.633 -22.944 -28.082 1.00 0.00 H ATOM 900 HD13 ILE A 56 35.887 -23.012 -28.422 1.00 0.00 H ATOM 901 HG21 ILE A 56 40.312 -20.696 -29.348 1.00 0.00 H ATOM 902 HG22 ILE A 56 39.266 -20.446 -27.929 1.00 0.00 H ATOM 903 HG23 ILE A 56 39.423 -22.069 -28.645 1.00 0.00 H ATOM 904 H ILE A 56 37.540 -18.685 -28.109 1.00 0.00 H ATOM 905 N GLY A 57 35.963 -18.010 -30.441 1.00 22.95 N ATOM 906 CA GLY A 57 34.650 -17.812 -31.028 1.00 21.67 C ATOM 907 C GLY A 57 33.686 -18.988 -31.097 1.00 21.73 C ATOM 908 O GLY A 57 32.804 -18.995 -31.961 1.00 22.18 O ATOM 909 HA3 GLY A 57 34.806 -17.466 -32.050 1.00 0.00 H ATOM 910 HA2 GLY A 57 34.157 -17.029 -30.452 1.00 0.00 H ATOM 911 H GLY A 57 36.252 -17.442 -29.619 1.00 0.00 H ATOM 912 N ASP A 58 33.782 -19.983 -30.209 1.00 21.47 N ATOM 913 CA ASP A 58 32.699 -20.989 -30.180 1.00 21.08 C ATOM 914 C ASP A 58 31.630 -20.609 -29.184 1.00 21.66 C ATOM 915 O ASP A 58 31.903 -20.354 -27.993 1.00 21.10 O ATOM 916 CB ASP A 58 33.165 -22.424 -29.879 1.00 20.09 C ATOM 917 CG ASP A 58 32.089 -23.459 -30.257 1.00 21.74 C ATOM 918 OD1 ASP A 58 31.059 -23.003 -30.808 1.00 26.11 O ATOM 919 OD2 ASP A 58 32.202 -24.699 -30.057 1.00 18.04 O ATOM 920 HA ASP A 58 32.301 -20.988 -31.195 1.00 0.00 H ATOM 921 HB2 ASP A 58 34.070 -22.630 -30.450 1.00 0.00 H ATOM 922 HB3 ASP A 58 33.381 -22.510 -28.814 1.00 0.00 H ATOM 923 H ASP A 58 34.592 -20.047 -29.560 1.00 0.00 H ATOM 924 N ASP A 59 30.393 -20.565 -29.616 1.00 22.23 N ATOM 925 CA ASP A 59 29.452 -20.409 -28.537 1.00 24.70 C ATOM 926 C ASP A 59 28.360 -21.469 -28.357 1.00 24.89 C ATOM 927 O ASP A 59 27.318 -21.264 -27.691 1.00 25.53 O ATOM 928 CB ASP A 59 28.876 -19.052 -28.592 1.00 25.19 C ATOM 929 CG ASP A 59 27.937 -18.915 -29.684 1.00 30.74 C ATOM 930 OD1 ASP A 59 27.425 -19.951 -30.177 1.00 33.84 O ATOM 931 OD2 ASP A 59 27.712 -17.743 -30.071 1.00 39.16 O ATOM 932 HA ASP A 59 30.053 -20.569 -27.642 1.00 0.00 H ATOM 933 HB2 ASP A 59 28.360 -18.848 -27.654 1.00 0.00 H ATOM 934 HB3 ASP A 59 29.682 -18.331 -28.726 1.00 0.00 H ATOM 935 H ASP A 59 30.123 -20.634 -30.618 1.00 0.00 H ATOM 936 N THR A 60 28.630 -22.604 -28.960 1.00 24.07 N ATOM 937 CA THR A 60 27.949 -23.816 -28.689 1.00 23.38 C ATOM 938 C THR A 60 27.775 -24.117 -27.227 1.00 24.60 C ATOM 939 O THR A 60 26.709 -24.558 -26.898 1.00 25.68 O ATOM 940 CB THR A 60 28.751 -25.013 -29.259 1.00 23.09 C ATOM 941 OG1 THR A 60 29.089 -24.730 -30.610 1.00 19.52 O ATOM 942 CG2 THR A 60 27.920 -26.307 -29.190 1.00 19.23 C ATOM 943 HA THR A 60 26.969 -23.686 -29.148 1.00 0.00 H ATOM 944 HB THR A 60 29.654 -25.157 -28.666 1.00 0.00 H ATOM 945 HG1 THR A 60 29.639 -23.907 -30.646 1.00 0.00 H ATOM 946 HG23 THR A 60 27.664 -26.518 -28.152 1.00 0.00 H ATOM 947 HG21 THR A 60 27.007 -26.182 -29.772 1.00 0.00 H ATOM 948 HG22 THR A 60 28.502 -27.133 -29.597 1.00 0.00 H ATOM 949 H THR A 60 29.385 -22.613 -29.675 1.00 0.00 H ATOM 950 N TYR A 61 28.777 -24.010 -26.349 1.00 24.58 N ATOM 951 CA TYR A 61 28.449 -24.394 -24.921 1.00 25.45 C ATOM 952 C TYR A 61 27.865 -23.337 -23.973 1.00 26.37 C ATOM 953 O TYR A 61 27.379 -23.682 -22.885 1.00 26.92 O ATOM 954 CB TYR A 61 29.544 -25.169 -24.234 1.00 24.88 C ATOM 955 CG TYR A 61 29.925 -26.299 -25.143 1.00 26.33 C ATOM 956 CD1 TYR A 61 29.116 -27.416 -25.251 1.00 24.88 C ATOM 957 CD2 TYR A 61 31.084 -26.217 -25.969 1.00 27.97 C ATOM 958 CE1 TYR A 61 29.449 -28.432 -26.110 1.00 23.59 C ATOM 959 CE2 TYR A 61 31.423 -27.233 -26.840 1.00 24.42 C ATOM 960 CZ TYR A 61 30.564 -28.316 -26.892 1.00 24.85 C ATOM 961 OH TYR A 61 30.804 -29.293 -27.739 1.00 25.68 O ATOM 962 HA TYR A 61 27.596 -25.043 -25.119 1.00 0.00 H ATOM 963 HB3 TYR A 61 29.185 -25.560 -23.282 1.00 0.00 H ATOM 964 HB2 TYR A 61 30.405 -24.524 -24.059 1.00 0.00 H ATOM 965 HD2 TYR A 61 31.717 -25.332 -25.912 1.00 0.00 H ATOM 966 HE2 TYR A 61 32.321 -27.184 -27.455 1.00 0.00 H ATOM 967 HE1 TYR A 61 28.828 -29.326 -26.169 1.00 0.00 H ATOM 968 HD1 TYR A 61 28.209 -27.489 -24.650 1.00 0.00 H ATOM 969 HH TYR A 61 30.101 -29.985 -27.651 1.00 0.00 H ATOM 970 H TYR A 61 29.724 -23.683 -26.629 1.00 0.00 H ATOM 971 N HIS A 62 27.865 -22.063 -24.414 1.00 25.70 N ATOM 972 CA HIS A 62 27.216 -20.981 -23.722 1.00 24.84 C ATOM 973 C HIS A 62 25.851 -21.382 -23.211 1.00 26.35 C ATOM 974 O HIS A 62 25.094 -22.128 -23.868 1.00 27.58 O ATOM 975 CB HIS A 62 27.159 -19.875 -24.702 1.00 23.65 C ATOM 976 CG HIS A 62 28.510 -19.313 -24.978 1.00 23.84 C ATOM 977 ND1 HIS A 62 28.708 -18.034 -25.465 1.00 17.35 N ATOM 978 CD2 HIS A 62 29.747 -19.828 -24.713 1.00 22.47 C ATOM 979 CE1 HIS A 62 30.010 -17.815 -25.551 1.00 21.92 C ATOM 980 NE2 HIS A 62 30.660 -18.887 -25.099 1.00 22.72 N ATOM 981 HA HIS A 62 27.761 -20.682 -22.827 1.00 0.00 H ATOM 982 HB2 HIS A 62 26.735 -20.250 -25.634 1.00 0.00 H ATOM 983 HB3 HIS A 62 26.521 -19.084 -24.306 1.00 0.00 H ATOM 984 HD2 HIS A 62 29.964 -20.803 -24.277 1.00 0.00 H ATOM 985 HE1 HIS A 62 30.476 -16.905 -25.930 1.00 0.00 H ATOM 986 H HIS A 62 28.361 -21.851 -25.303 1.00 0.00 H ATOM 987 N GLY A 63 25.536 -20.943 -21.998 1.00 27.63 N ATOM 988 CA GLY A 63 24.252 -21.323 -21.367 1.00 27.05 C ATOM 989 C GLY A 63 24.379 -21.586 -19.881 1.00 27.69 C ATOM 990 O GLY A 63 25.513 -21.630 -19.329 1.00 28.44 O ATOM 991 HA3 GLY A 63 23.881 -22.227 -21.850 1.00 0.00 H ATOM 992 HA2 GLY A 63 23.538 -20.514 -21.517 1.00 0.00 H ATOM 993 H GLY A 63 26.198 -20.326 -21.486 1.00 0.00 H ATOM 994 N HIS A 64 23.236 -21.769 -19.227 1.00 27.06 N ATOM 995 CA HIS A 64 23.207 -22.020 -17.819 1.00 28.21 C ATOM 996 C HIS A 64 21.890 -22.752 -17.496 1.00 28.81 C ATOM 997 O HIS A 64 20.931 -22.678 -18.248 1.00 30.48 O ATOM 998 CB HIS A 64 23.260 -20.680 -17.063 1.00 28.02 C ATOM 999 CG HIS A 64 22.161 -19.758 -17.462 1.00 29.62 C ATOM 1000 ND1 HIS A 64 22.312 -18.804 -18.451 1.00 33.01 N ATOM 1001 CD2 HIS A 64 20.860 -19.714 -17.085 1.00 31.38 C ATOM 1002 CE1 HIS A 64 21.171 -18.170 -18.620 1.00 31.56 C ATOM 1003 NE2 HIS A 64 20.268 -18.715 -17.812 1.00 32.18 N ATOM 1004 HA HIS A 64 24.059 -22.628 -17.517 1.00 0.00 H ATOM 1005 HB2 HIS A 64 23.180 -20.878 -15.994 1.00 0.00 H ATOM 1006 HB3 HIS A 64 24.215 -20.198 -17.272 1.00 0.00 H ATOM 1007 HD2 HIS A 64 20.377 -20.352 -16.345 1.00 0.00 H ATOM 1008 HE1 HIS A 64 20.997 -17.340 -19.305 1.00 0.00 H ATOM 1009 H HIS A 64 22.340 -21.729 -19.753 1.00 0.00 H ATOM 1010 N VAL A 65 21.833 -23.398 -16.333 1.00 28.02 N ATOM 1011 CA VAL A 65 20.571 -23.727 -15.676 1.00 26.13 C ATOM 1012 C VAL A 65 20.369 -22.951 -14.340 1.00 25.96 C ATOM 1013 O VAL A 65 21.264 -22.918 -13.507 1.00 26.64 O ATOM 1014 CB VAL A 65 20.641 -25.183 -15.390 1.00 25.96 C ATOM 1015 CG1 VAL A 65 19.342 -25.664 -14.932 1.00 25.13 C ATOM 1016 CG2 VAL A 65 21.095 -25.909 -16.681 1.00 25.73 C ATOM 1017 HA VAL A 65 19.734 -23.452 -16.318 1.00 0.00 H ATOM 1018 HB VAL A 65 21.360 -25.386 -14.596 1.00 0.00 H ATOM 1019 HG11 VAL A 65 19.059 -25.132 -14.024 1.00 0.00 H ATOM 1020 HG12 VAL A 65 18.596 -25.485 -15.706 1.00 0.00 H ATOM 1021 HG13 VAL A 65 19.404 -26.732 -14.725 1.00 0.00 H ATOM 1022 HG21 VAL A 65 20.375 -25.717 -17.477 1.00 0.00 H ATOM 1023 HG22 VAL A 65 22.075 -25.538 -16.979 1.00 0.00 H ATOM 1024 HG23 VAL A 65 21.153 -26.981 -16.492 1.00 0.00 H ATOM 1025 H VAL A 65 22.723 -23.680 -15.874 1.00 0.00 H ATOM 1026 N ASP A 66 19.239 -22.272 -14.141 1.00 25.13 N ATOM 1027 CA ASP A 66 18.881 -21.752 -12.808 1.00 23.37 C ATOM 1028 C ASP A 66 18.062 -22.789 -12.012 1.00 22.83 C ATOM 1029 O ASP A 66 17.184 -23.476 -12.561 1.00 21.51 O ATOM 1030 CB ASP A 66 18.002 -20.529 -12.933 1.00 23.77 C ATOM 1031 CG ASP A 66 18.620 -19.471 -13.742 1.00 23.97 C ATOM 1032 OD1 ASP A 66 19.859 -19.432 -13.796 1.00 23.67 O ATOM 1033 OD2 ASP A 66 17.847 -18.690 -14.306 1.00 25.32 O ATOM 1034 HA ASP A 66 19.818 -21.520 -12.301 1.00 0.00 H ATOM 1035 HB2 ASP A 66 17.061 -20.821 -13.399 1.00 0.00 H ATOM 1036 HB3 ASP A 66 17.805 -20.136 -11.935 1.00 0.00 H ATOM 1037 H ASP A 66 18.597 -22.106 -14.942 1.00 0.00 H ATOM 1038 N TRP A 67 18.316 -22.778 -10.708 1.00 22.12 N ATOM 1039 CA TRP A 67 17.799 -23.712 -9.743 1.00 22.43 C ATOM 1040 C TRP A 67 17.229 -22.933 -8.593 1.00 23.64 C ATOM 1041 O TRP A 67 17.911 -22.056 -8.041 1.00 23.11 O ATOM 1042 CB TRP A 67 18.979 -24.429 -9.220 1.00 20.93 C ATOM 1043 CG TRP A 67 19.478 -25.287 -10.166 1.00 18.99 C ATOM 1044 CD1 TRP A 67 20.557 -25.114 -10.959 1.00 18.24 C ATOM 1045 CD2 TRP A 67 18.929 -26.542 -10.483 1.00 21.37 C ATOM 1046 NE1 TRP A 67 20.754 -26.221 -11.774 1.00 18.72 N ATOM 1047 CE2 TRP A 67 19.773 -27.131 -11.473 1.00 19.64 C ATOM 1048 CE3 TRP A 67 17.795 -27.267 -10.001 1.00 23.26 C ATOM 1049 CZ2 TRP A 67 19.521 -28.397 -12.009 1.00 20.52 C ATOM 1050 CZ3 TRP A 67 17.541 -28.535 -10.533 1.00 20.04 C ATOM 1051 CH2 TRP A 67 18.392 -29.073 -11.566 1.00 18.62 C ATOM 1052 HA TRP A 67 17.047 -24.371 -10.177 1.00 0.00 H ATOM 1053 HB2 TRP A 67 19.748 -23.705 -8.950 1.00 0.00 H ATOM 1054 HB3 TRP A 67 18.691 -24.998 -8.336 1.00 0.00 H ATOM 1055 HE1 TRP A 67 21.507 -26.338 -12.482 1.00 0.00 H ATOM 1056 HD1 TRP A 67 21.188 -24.225 -10.959 1.00 0.00 H ATOM 1057 HZ2 TRP A 67 20.188 -28.839 -12.749 1.00 0.00 H ATOM 1058 HH2 TRP A 67 18.142 -30.036 -12.011 1.00 0.00 H ATOM 1059 HZ3 TRP A 67 16.697 -29.119 -10.166 1.00 0.00 H ATOM 1060 HE3 TRP A 67 17.144 -26.842 -9.237 1.00 0.00 H ATOM 1061 H TRP A 67 18.944 -22.028 -10.353 1.00 0.00 H ATOM 1062 N LEU A 68 15.992 -23.216 -8.194 1.00 24.88 N ATOM 1063 CA LEU A 68 15.490 -22.443 -7.034 1.00 25.74 C ATOM 1064 C LEU A 68 16.117 -22.988 -5.788 1.00 26.47 C ATOM 1065 O LEU A 68 16.184 -24.216 -5.613 1.00 27.40 O ATOM 1066 CB LEU A 68 13.975 -22.479 -6.889 1.00 26.48 C ATOM 1067 CG LEU A 68 13.393 -22.022 -5.534 1.00 26.30 C ATOM 1068 CD1 LEU A 68 13.191 -20.487 -5.385 1.00 19.90 C ATOM 1069 CD2 LEU A 68 12.114 -22.809 -5.370 1.00 26.73 C ATOM 1070 HA LEU A 68 15.762 -21.401 -7.199 1.00 0.00 H ATOM 1071 HB2 LEU A 68 13.554 -21.836 -7.662 1.00 0.00 H ATOM 1072 HB3 LEU A 68 13.652 -23.506 -7.057 1.00 0.00 H ATOM 1073 HG LEU A 68 14.105 -22.224 -4.734 1.00 0.00 H ATOM 1074 HD21 LEU A 68 11.440 -22.580 -6.195 1.00 0.00 H ATOM 1075 HD22 LEU A 68 12.342 -23.875 -5.371 1.00 0.00 H ATOM 1076 HD23 LEU A 68 11.641 -22.538 -4.426 1.00 0.00 H ATOM 1077 HD11 LEU A 68 14.151 -19.983 -5.497 1.00 0.00 H ATOM 1078 HD12 LEU A 68 12.503 -20.136 -6.154 1.00 0.00 H ATOM 1079 HD13 LEU A 68 12.779 -20.270 -4.400 1.00 0.00 H ATOM 1080 H LEU A 68 15.412 -23.937 -8.668 1.00 0.00 H ATOM 1081 N MET A 69 16.587 -22.090 -4.934 1.00 26.88 N ATOM 1082 CA MET A 69 17.546 -22.439 -3.877 1.00 28.13 C ATOM 1083 C MET A 69 16.936 -23.102 -2.638 1.00 30.15 C ATOM 1084 O MET A 69 17.657 -23.704 -1.847 1.00 31.20 O ATOM 1085 CB MET A 69 18.301 -21.201 -3.445 1.00 26.91 C ATOM 1086 CG MET A 69 19.846 -21.401 -3.319 1.00 29.07 C ATOM 1087 SD MET A 69 20.809 -20.033 -4.065 1.00 30.23 S ATOM 1088 CE MET A 69 20.197 -18.457 -3.312 1.00 24.31 C ATOM 1089 HA MET A 69 18.205 -23.183 -4.325 1.00 0.00 H ATOM 1090 HB2 MET A 69 18.117 -20.415 -4.178 1.00 0.00 H ATOM 1091 HB3 MET A 69 17.917 -20.888 -2.474 1.00 0.00 H ATOM 1092 HG2 MET A 69 20.118 -22.330 -3.819 1.00 0.00 H ATOM 1093 HG3 MET A 69 20.102 -21.470 -2.262 1.00 0.00 H ATOM 1094 HE1 MET A 69 19.135 -18.341 -3.528 1.00 0.00 H ATOM 1095 HE2 MET A 69 20.348 -18.489 -2.233 1.00 0.00 H ATOM 1096 HE3 MET A 69 20.749 -17.616 -3.733 1.00 0.00 H ATOM 1097 H MET A 69 16.266 -21.104 -5.015 1.00 0.00 H ATOM 1098 N TYR A 70 15.592 -23.056 -2.548 1.00 31.87 N ATOM 1099 CA TYR A 70 14.737 -23.186 -1.348 1.00 30.97 C ATOM 1100 C TYR A 70 13.727 -24.251 -1.694 1.00 28.20 C ATOM 1101 O TYR A 70 13.391 -24.385 -2.868 1.00 27.94 O ATOM 1102 CB TYR A 70 13.934 -21.902 -1.248 1.00 32.59 C ATOM 1103 CG TYR A 70 14.514 -20.712 -0.588 1.00 39.90 C ATOM 1104 CD1 TYR A 70 15.786 -20.204 -0.912 1.00 46.06 C ATOM 1105 CD2 TYR A 70 13.695 -20.013 0.342 1.00 51.85 C ATOM 1106 CE1 TYR A 70 16.301 -19.043 -0.239 1.00 54.21 C ATOM 1107 CE2 TYR A 70 14.124 -18.834 1.004 1.00 58.57 C ATOM 1108 CZ TYR A 70 15.442 -18.344 0.723 1.00 61.39 C ATOM 1109 OH TYR A 70 15.795 -17.167 1.420 1.00 64.74 O ATOM 1110 HA TYR A 70 15.311 -23.397 -0.446 1.00 0.00 H ATOM 1111 HB3 TYR A 70 13.018 -22.145 -0.709 1.00 0.00 H ATOM 1112 HB2 TYR A 70 13.686 -21.606 -2.267 1.00 0.00 H ATOM 1113 HD2 TYR A 70 12.698 -20.399 0.554 1.00 0.00 H ATOM 1114 HE2 TYR A 70 13.471 -18.316 1.706 1.00 0.00 H ATOM 1115 HE1 TYR A 70 17.312 -18.688 -0.440 1.00 0.00 H ATOM 1116 HD1 TYR A 70 16.385 -20.695 -1.679 1.00 0.00 H ATOM 1117 HH TYR A 70 16.715 -16.899 1.169 1.00 0.00 H ATOM 1118 H TYR A 70 15.087 -22.909 -3.445 1.00 0.00 H ATOM 1119 N ALA A 71 13.188 -24.958 -0.710 1.00 26.86 N ATOM 1120 CA ALA A 71 12.138 -25.998 -0.963 1.00 26.51 C ATOM 1121 C ALA A 71 10.808 -25.331 -1.274 1.00 26.60 C ATOM 1122 O ALA A 71 10.029 -25.888 -2.030 1.00 27.43 O ATOM 1123 CB ALA A 71 11.984 -27.092 0.211 1.00 24.16 C ATOM 1124 HA ALA A 71 12.476 -26.566 -1.830 1.00 0.00 H ATOM 1125 HB1 ALA A 71 12.929 -27.620 0.340 1.00 0.00 H ATOM 1126 HB2 ALA A 71 11.716 -26.590 1.141 1.00 0.00 H ATOM 1127 HB3 ALA A 71 11.203 -27.803 -0.057 1.00 0.00 H ATOM 1128 H ALA A 71 13.503 -24.786 0.266 1.00 0.00 H ATOM 1129 N ASP A 72 10.524 -24.155 -0.742 1.00 26.86 N ATOM 1130 CA ASP A 72 9.238 -23.666 -1.051 1.00 30.01 C ATOM 1131 C ASP A 72 9.244 -22.457 -1.963 1.00 31.71 C ATOM 1132 O ASP A 72 10.056 -21.527 -1.729 1.00 33.81 O ATOM 1133 CB ASP A 72 8.492 -23.330 0.224 1.00 30.51 C ATOM 1134 CG ASP A 72 6.967 -23.539 0.089 1.00 33.42 C ATOM 1135 OD1 ASP A 72 6.225 -23.014 -0.811 1.00 36.53 O ATOM 1136 OD2 ASP A 72 6.499 -24.297 0.924 1.00 38.64 O ATOM 1137 HA ASP A 72 8.735 -24.465 -1.595 1.00 0.00 H ATOM 1138 HB2 ASP A 72 8.863 -23.969 1.025 1.00 0.00 H ATOM 1139 HB3 ASP A 72 8.681 -22.286 0.476 1.00 0.00 H ATOM 1140 H ASP A 72 11.195 -23.632 -0.144 1.00 0.00 H ATOM 1141 N SER A 73 8.353 -22.437 -2.966 1.00 31.77 N ATOM 1142 CA SER A 73 7.998 -21.165 -3.644 1.00 33.05 C ATOM 1143 C SER A 73 6.789 -20.450 -2.986 1.00 33.02 C ATOM 1144 O SER A 73 6.650 -19.226 -3.102 1.00 32.78 O ATOM 1145 CB SER A 73 7.746 -21.416 -5.146 1.00 34.09 C ATOM 1146 OG SER A 73 7.185 -22.724 -5.426 1.00 33.48 O ATOM 1147 HA SER A 73 8.847 -20.491 -3.533 1.00 0.00 H ATOM 1148 HB2 SER A 73 8.695 -21.326 -5.675 1.00 0.00 H ATOM 1149 HB3 SER A 73 7.054 -20.658 -5.512 1.00 0.00 H ATOM 1150 HG SER A 73 7.048 -22.821 -6.402 1.00 0.00 H ATOM 1151 H SER A 73 7.905 -23.324 -3.272 1.00 0.00 H TER 1152 SER A 73 HETATM 1153 ZN ZN A 1 35.965 -26.602 -18.573 1.00 30.86 ZN HETATM 1154 O HOH 2 15.003 -25.623 -9.481 1.00 2.00 O HETATM 1155 O HOH 3 40.810 -14.241 -30.334 1.00 35.42 O HETATM 1156 O HOH 4 29.756 -28.674 -11.723 1.00 17.96 O HETATM 1157 O HOH 5 21.722 -38.549 -8.779 1.00 5.87 O HETATM 1158 O HOH 6 11.863 -31.501 8.894 1.00 25.68 O HETATM 1159 O HOH 7 31.455 -17.011 -16.496 1.00 26.23 O HETATM 1160 O HOH 8 13.726 -11.652 -8.005 1.00 31.63 O HETATM 1161 O HOH 9 30.568 -16.263 -12.257 1.00 19.79 O HETATM 1162 O HOH 10 11.720 -23.526 1.812 1.00 26.99 O HETATM 1163 O HOH 11 24.572 -21.537 -27.588 1.00 33.38 O HETATM 1164 O HOH 12 33.069 -17.296 -10.489 1.00 16.83 O HETATM 1165 O HOH 13 26.640 -16.461 -26.267 1.00 26.60 O HETATM 1166 O HOH 14 27.378 -36.597 -20.579 1.00 30.40 O HETATM 1167 O HOH 15 28.508 -32.859 -17.437 1.00 27.90 O HETATM 1168 O HOH 16 5.358 -18.466 -4.858 1.00 27.29 O HETATM 1169 O HOH 17 19.940 -24.420 -0.945 1.00 24.45 O HETATM 1170 O HOH 18 36.766 -23.308 -24.628 1.00 32.37 O HETATM 1171 O HOH 19 25.960 -29.733 -12.989 1.00 39.68 O HETATM 1172 O HOH 20 11.646 -20.380 -8.361 1.00 2.00 O HETATM 1173 O HOH 21 17.892 -11.501 -14.587 1.00 28.77 O HETATM 1174 O HOH 22 6.942 -18.795 -0.781 1.00 18.55 O HETATM 1175 O HOH 23 13.694 -35.304 -3.967 1.00 27.10 O HETATM 1176 O HOH 24 29.676 -23.181 -33.817 1.00 24.58 O HETATM 1177 O HOH 25 24.359 -25.451 -16.197 1.00 18.38 O HETATM 1178 O HOH 26 32.936 -35.050 -10.277 1.00 26.49 O HETATM 1179 O HOH 27 33.063 -36.338 -7.541 1.00 31.14 O HETATM 1180 O HOH 28 32.203 -37.591 -10.113 1.00 30.46 O HETATM 1181 O HOH 29 31.129 -22.986 -26.593 1.00 29.71 O HETATM 1182 O HOH 30 26.327 -21.674 -3.364 1.00 29.15 O HETATM 1183 O HOH 31 38.386 -31.267 -10.640 1.00 26.68 O HETATM 1184 O HOH 32 28.174 -22.332 -1.700 1.00 28.73 O HETATM 1185 O HOH 33 32.136 -26.962 -3.673 1.00 18.43 O HETATM 1186 O HOH 34 15.673 -36.958 0.310 1.00 32.02 O HETATM 1187 PB ADP A 35 23.242 -11.780 -17.016 1.00 0.21 P HETATM 1188 O1B ADP A 35 23.067 -12.414 -15.631 1.00 -0.59 O HETATM 1189 O2B ADP A 35 21.983 -11.365 -17.777 1.00 -0.59 O HETATM 1190 O3B ADP A 35 24.445 -10.792 -17.141 1.00 -0.59 O HETATM 1191 O3A ADP A 35 23.716 -13.036 -17.860 1.00 -0.15 O HETATM 1192 PA ADP A 35 24.991 -13.793 -17.306 1.00 0.33 P HETATM 1193 O1A ADP A 35 24.521 -14.838 -16.290 1.00 -0.56 O HETATM 1194 O2A ADP A 35 26.121 -12.763 -17.032 1.00 -0.56 O HETATM 1195 O5' ADP A 35 25.226 -14.542 -18.738 1.00 -0.24 O HETATM 1196 C5' ADP A 35 25.842 -14.029 -19.954 1.00 0.11 C HETATM 1197 C4' ADP A 35 25.588 -15.015 -21.141 1.00 0.12 C HETATM 1198 O4' ADP A 35 26.778 -15.828 -21.304 1.00 -0.34 O HETATM 1199 C1' ADP A 35 26.526 -17.119 -20.746 1.00 0.20 C HETATM 1200 C2' ADP A 35 25.179 -17.034 -20.027 1.00 0.14 C HETATM 1201 C3' ADP A 35 24.452 -16.010 -20.866 1.00 0.11 C HETATM 1202 O3' ADP A 35 23.932 -16.635 -22.060 1.00 -0.39 O HETATM 1203 H5 ADP A 35 23.235 -17.236 -21.824 1.00 0.21 H HETATM 1204 H4 ADP A 35 23.629 -15.533 -20.314 1.00 0.06 H HETATM 1205 O2' ADP A 35 24.482 -18.267 -20.023 1.00 -0.38 O HETATM 1206 H7 ADP A 35 23.613 -18.137 -19.663 1.00 0.21 H HETATM 1207 H6 ADP A 35 25.306 -16.687 -18.991 1.00 0.07 H HETATM 1208 N9 ADP A 35 27.609 -17.533 -19.831 1.00 -0.19 N HETATM 1209 C8 ADP A 35 28.189 -16.710 -18.940 1.00 0.11 C HETATM 1210 N7 ADP A 35 29.102 -17.465 -18.288 1.00 -0.30 N HETATM 1211 C5 ADP A 35 29.164 -18.754 -18.739 1.00 0.10 C HETATM 1212 C6 ADP A 35 29.958 -19.990 -18.404 1.00 0.13 C HETATM 1213 N6 ADP A 35 30.946 -20.012 -17.400 1.00 -0.32 N HETATM 1214 H10 ADP A 35 31.464 -20.881 -17.206 1.00 0.18 H HETATM 1215 H11 ADP A 35 31.151 -19.159 -16.860 1.00 0.18 H HETATM 1216 N1 ADP A 35 29.638 -21.111 -19.132 1.00 -0.27 N HETATM 1217 C2 ADP A 35 28.650 -21.063 -20.088 1.00 0.05 C HETATM 1218 N3 ADP A 35 27.934 -19.981 -20.443 1.00 -0.27 N HETATM 1219 C4 ADP A 35 28.147 -18.805 -19.787 1.00 0.16 C HETATM 1220 H12 ADP A 35 28.426 -21.988 -20.606 1.00 0.10 H HETATM 1221 H9 ADP A 35 27.970 -15.656 -18.777 1.00 0.13 H HETATM 1222 H8 ADP A 35 26.458 -17.858 -21.557 1.00 0.10 H HETATM 1223 H3 ADP A 35 25.372 -14.442 -22.055 1.00 0.07 H HETATM 1224 H1 ADP A 35 26.925 -13.921 -19.796 1.00 0.06 H HETATM 1225 H2 ADP A 35 25.407 -13.048 -20.196 1.00 0.06 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 335 334 339 1153 CONECT 384 383 388 1153 CONECT 743 742 747 1153 CONECT 790 789 794 1153 CONECT 1153 335 384 743 790 CONECT 1187 1188 1189 1190 1191 CONECT 1188 1187 CONECT 1189 1187 CONECT 1190 1187 CONECT 1191 1187 1192 CONECT 1192 1191 1193 1194 1195 CONECT 1193 1192 CONECT 1194 1192 CONECT 1195 1192 1196 CONECT 1196 1195 1197 1224 1225 CONECT 1197 1196 1198 1201 1223 CONECT 1198 1197 1199 CONECT 1199 1198 1200 1208 1222 CONECT 1200 1199 1201 1205 1207 CONECT 1201 1197 1200 1202 1204 CONECT 1202 1201 1203 CONECT 1203 1202 CONECT 1204 1201 CONECT 1205 1200 1206 CONECT 1206 1205 CONECT 1207 1200 CONECT 1208 1199 1209 1219 CONECT 1209 1208 1210 1221 CONECT 1210 1209 1211 CONECT 1211 1210 1212 1219 CONECT 1212 1211 1213 1216 CONECT 1213 1212 1214 1215 CONECT 1214 1213 CONECT 1215 1213 CONECT 1216 1212 1217 CONECT 1217 1216 1218 1220 CONECT 1218 1217 1219 CONECT 1219 1208 1211 1218 CONECT 1220 1217 CONECT 1221 1209 CONECT 1222 1199 CONECT 1223 1197 CONECT 1224 1196 CONECT 1225 1196 MASTER 0 0 0 0 0 0 0 0 1224 1 48 6 END
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Pocket-Ligand
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Related entries of code: 3dgn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2p09
RCSB PDB
PDBbind
81aa, >2P09_1|Chain... *
3dgl
RCSB PDB
PDBbind
81aa, >3DGL_1|Chain... at 100%
3dgo
RCSB PDB
PDBbind
81aa, >3DGO_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1amw
RCSB PDB
PDBbind
ADP
1ao0
RCSB PDB
PDBbind
ADP
1atr
RCSB PDB
PDBbind
ADP
1e8h
RCSB PDB
PDBbind
ADP
1hi5
RCSB PDB
PDBbind
ADP
1lkx
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PDBbind
ADP
1m74
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PDBbind
ADP
1o0h
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PDBbind
ADP
1t3t
RCSB PDB
PDBbind
ADP
1ucn
RCSB PDB
PDBbind
ADP
1xxi
RCSB PDB
PDBbind
ADP
1y8o
RCSB PDB
PDBbind
ADP
2bfr
RCSB PDB
PDBbind
ADP
2c02
RCSB PDB
PDBbind
ADP
2e2p
RCSB PDB
PDBbind
ADP
2hmv
RCSB PDB
PDBbind
ADP
2ja3
RCSB PDB
PDBbind
ADP
2o1v
RCSB PDB
PDBbind
ADP
2qv7
RCSB PDB
PDBbind
ADP
2r6f
RCSB PDB
PDBbind
ADP
2rio
RCSB PDB
PDBbind
ADP
2vhj
RCSB PDB
PDBbind
ADP
2y8i
RCSB PDB
PDBbind
ADP
2y8l
RCSB PDB
PDBbind
ADP
2y8q
RCSB PDB
PDBbind
ADP
2z4r
RCSB PDB
PDBbind
ADP
2zkj
RCSB PDB
PDBbind
ADP
3a1d
RCSB PDB
PDBbind
ADP
3atu
RCSB PDB
PDBbind
ADP
3atv
RCSB PDB
PDBbind
ADP
3ay9
RCSB PDB
PDBbind
ADP
3bf1
RCSB PDB
PDBbind
ADP
3bxz
RCSB PDB
PDBbind
ADP
3c7n
RCSB PDB
PDBbind
ADP
3cf1
RCSB PDB
PDBbind
ADP
3d2r
RCSB PDB
PDBbind
ADP
3i73
RCSB PDB
PDBbind
ADP
3iuc
RCSB PDB
PDBbind
ADP
3k1j
RCSB PDB
PDBbind
ADP
3llm
RCSB PDB
PDBbind
ADP
3mle
RCSB PDB
PDBbind
ADP
3ncr
RCSB PDB
PDBbind
ADP
3p23
RCSB PDB
PDBbind
ADP
3qc9
RCSB PDB
PDBbind
ADP
3qxh
RCSB PDB
PDBbind
ADP
3rup
RCSB PDB
PDBbind
ADP
3rv3
RCSB PDB
PDBbind
ADP
3rv4
RCSB PDB
PDBbind
ADP
3t4n
RCSB PDB
PDBbind
ADP
3ta1
RCSB PDB
PDBbind
ADP
3tif
RCSB PDB
PDBbind
ADP
3vx3
RCSB PDB
PDBbind
ADP
4c3k
RCSB PDB
PDBbind
ADP
4i3z
RCSB PDB
PDBbind
ADP
4kod
RCSB PDB
PDBbind
ADP
4lj5
RCSB PDB
PDBbind
ADP
4lj8
RCSB PDB
PDBbind
ADP
4nxu
RCSB PDB
PDBbind
ADP
4oag
RCSB PDB
PDBbind
ADP
4ocp
RCSB PDB
PDBbind
ADP
4ozj
RCSB PDB
PDBbind
ADP
4u0s
RCSB PDB
PDBbind
ADP
4u0u
RCSB PDB
PDBbind
ADP
4uoh
RCSB PDB
PDBbind
ADP
4zki
RCSB PDB
PDBbind
ADP
5evz
RCSB PDB
PDBbind
ADP
5fsx
RCSB PDB
PDBbind
ADP
6czd
RCSB PDB
PDBbind
ADP
6f3f
RCSB PDB
PDBbind
ADP
6fa5
RCSB PDB
PDBbind
ADP
6faa
RCSB PDB
PDBbind
ADP
6fac
RCSB PDB
PDBbind
ADP
6fhk
RCSB PDB
PDBbind
ADP
6n9l
RCSB PDB
PDBbind
ADP
6mmc
RCSB PDB
PDBbind
ADP
6hys
RCSB PDB
PDBbind
ADP
6cjj
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ADP
Entry Information
PDB ID
3dgn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATP Binding Protein-DX
Ligand Name
ADP
EC.Number
E.C.-.-.-.-
Resolution
2.7(Å)
Affinity (Kd/Ki/IC50)
Kd=620nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Acs Chem.Biol. Vol. 4: pp. 649-658
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.89 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(OP(O)(O)O)(O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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