Browse entries in the PDBbind-CN Database
HEADER 5YC3_COMPLEX COMPND 5YC3_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 60 GLY PRO LEU GLY SER ASP HIS GLY GLU THR LEU CYS GLY SEQRES 2 A 60 ALA CYS GLY ASP SER ASP GLY ALA ASP GLU PHE TRP ILE SEQRES 3 A 60 CYS CYS ASP LEU CYS GLU LYS TRP PHE HIS GLY LYS CYS SEQRES 4 A 60 VAL LYS ILE THR PRO ALA ARG ALA GLU HIS ILE LYS GLN SEQRES 5 A 60 TYR LYS CYS PRO SER CYS SER ASN HET ZN A 1 1 HET ZN A 2 1 HET ALA A 95 166 ATOM 1 N GLY A -4 -7.989 -18.074 1.914 1.00 44.76 N ATOM 2 CA GLY A -4 -7.288 -16.929 2.465 1.00 43.87 C ATOM 3 C GLY A -4 -8.241 -15.831 2.895 1.00 44.72 C ATOM 4 O GLY A -4 -9.176 -15.501 2.167 1.00 46.20 O ATOM 5 HN3 GLY A -4 -8.538 -17.776 1.082 1.00 0.00 H ATOM 6 HN2 GLY A -4 -8.631 -18.464 2.633 1.00 0.00 H ATOM 7 HN1 GLY A -4 -7.299 -18.800 1.634 1.00 0.00 H ATOM 8 N PRO A -3 -8.004 -15.251 4.081 1.00 40.20 N ATOM 9 CA PRO A -3 -8.862 -14.213 4.664 1.00 39.92 C ATOM 10 C PRO A -3 -8.865 -12.912 3.865 1.00 39.22 C ATOM 11 O PRO A -3 -7.844 -12.515 3.301 1.00 44.42 O ATOM 12 CB PRO A -3 -8.248 -13.991 6.049 1.00 43.82 C ATOM 13 CG PRO A -3 -6.823 -14.360 5.880 1.00 49.80 C ATOM 14 CD PRO A -3 -6.824 -15.516 4.921 1.00 52.20 C ATOM 15 N LEU A -2 -10.021 -12.260 3.818 1.00 37.03 N ATOM 16 CA LEU A -2 -10.159 -10.987 3.127 1.00 33.47 C ATOM 17 C LEU A -2 -10.009 -9.846 4.128 1.00 35.49 C ATOM 18 O LEU A -2 -10.490 -9.931 5.258 1.00 35.71 O ATOM 19 CB LEU A -2 -11.508 -10.907 2.406 1.00 31.08 C ATOM 20 CG LEU A -2 -11.829 -12.064 1.450 1.00 32.33 C ATOM 21 CD1 LEU A -2 -13.127 -11.811 0.694 1.00 31.63 C ATOM 22 CD2 LEU A -2 -10.680 -12.315 0.483 1.00 32.55 C ATOM 23 H LEU A -2 -10.852 -12.671 4.289 1.00 0.00 H ATOM 24 N GLY A -1 -9.332 -8.782 3.717 1.00 34.56 N ATOM 25 CA GLY A -1 -9.087 -7.667 4.609 1.00 31.88 C ATOM 26 C GLY A -1 -7.812 -7.871 5.397 1.00 27.33 C ATOM 27 O GLY A -1 -6.964 -8.671 5.011 1.00 37.50 O ATOM 28 H GLY A -1 -8.972 -8.748 2.742 1.00 0.00 H ATOM 29 N SER A 0 -7.675 -7.160 6.508 1.00 27.64 N ATOM 30 CA SER A 0 -6.432 -7.196 7.262 1.00 31.27 C ATOM 31 C SER A 0 -6.616 -6.827 8.726 1.00 32.51 C ATOM 32 O SER A 0 -7.705 -6.447 9.156 1.00 34.21 O ATOM 33 CB SER A 0 -5.414 -6.251 6.628 1.00 32.82 C ATOM 34 OG SER A 0 -5.939 -4.936 6.537 1.00 33.80 O ATOM 35 HG SER A 0 -5.265 -4.340 6.124 1.00 0.00 H ATOM 36 H SER A 0 -8.464 -6.571 6.843 1.00 0.00 H ATOM 37 N ASP A 1 -5.533 -6.949 9.485 1.00 32.73 N ATOM 38 CA ASP A 1 -5.488 -6.489 10.864 1.00 35.00 C ATOM 39 C ASP A 1 -4.832 -5.114 10.850 1.00 36.49 C ATOM 40 O ASP A 1 -3.693 -4.974 10.420 1.00 35.14 O ATOM 41 CB ASP A 1 -4.713 -7.478 11.744 1.00 33.21 C ATOM 42 CG ASP A 1 -4.781 -7.141 13.226 1.00 36.30 C ATOM 43 OD1 ASP A 1 -5.300 -6.063 13.586 1.00 34.65 O ATOM 44 OD2 ASP A 1 -4.304 -7.961 14.041 1.00 37.34 O ATOM 45 H ASP A 1 -4.684 -7.391 9.077 1.00 0.00 H ATOM 46 N HIS A 2 -5.554 -4.095 11.300 1.00 37.54 N ATOM 47 CA HIS A 2 -5.036 -2.732 11.266 1.00 37.55 C ATOM 48 C HIS A 2 -3.762 -2.605 12.101 1.00 44.47 C ATOM 49 O HIS A 2 -2.909 -1.756 11.831 1.00 44.95 O ATOM 50 CB HIS A 2 -6.092 -1.744 11.758 1.00 33.92 C ATOM 51 CG HIS A 2 -5.702 -0.310 11.582 1.00 38.59 C ATOM 52 ND1 HIS A 2 -5.876 0.635 12.568 1.00 41.41 N ATOM 53 CD2 HIS A 2 -5.147 0.339 10.531 1.00 39.13 C ATOM 54 CE1 HIS A 2 -5.444 1.806 12.134 1.00 36.70 C ATOM 55 NE2 HIS A 2 -4.996 1.653 10.901 1.00 41.83 N ATOM 56 H HIS A 2 -6.505 -4.271 11.683 1.00 0.00 H ATOM 57 N GLY A 3 -3.636 -3.462 13.109 1.00 45.24 N ATOM 58 CA GLY A 3 -2.428 -3.529 13.909 1.00 49.54 C ATOM 59 C GLY A 3 -1.480 -4.599 13.398 1.00 53.67 C ATOM 60 O GLY A 3 -1.094 -5.505 14.140 1.00 52.73 O ATOM 61 H GLY A 3 -4.425 -4.102 13.330 1.00 0.00 H ATOM 62 N GLU A 4 -1.107 -4.493 12.125 1.00 49.86 N ATOM 63 CA GLU A 4 -0.243 -5.485 11.492 1.00 43.54 C ATOM 64 C GLU A 4 1.164 -4.974 11.222 1.00 41.20 C ATOM 65 O GLU A 4 1.394 -3.774 11.073 1.00 45.31 O ATOM 66 CB GLU A 4 -0.851 -5.963 10.173 1.00 41.74 C ATOM 67 CG GLU A 4 -1.528 -7.316 10.248 1.00 41.47 C ATOM 68 CD GLU A 4 -2.243 -7.676 8.962 1.00 41.70 C ATOM 69 OE1 GLU A 4 -2.259 -6.832 8.040 1.00 39.29 O ATOM 70 OE2 GLU A 4 -2.786 -8.800 8.872 1.00 43.00 O ATOM 71 H GLU A 4 -1.440 -3.682 11.566 1.00 0.00 H ATOM 72 N THR A 5 2.101 -5.910 11.162 1.00 38.42 N ATOM 73 CA THR A 5 3.454 -5.626 10.719 1.00 37.26 C ATOM 74 C THR A 5 3.687 -6.345 9.399 1.00 36.29 C ATOM 75 O THR A 5 3.408 -7.537 9.280 1.00 37.70 O ATOM 76 CB THR A 5 4.500 -6.072 11.753 1.00 37.73 C ATOM 77 OG1 THR A 5 4.407 -5.241 12.917 1.00 38.27 O ATOM 78 CG2 THR A 5 5.897 -5.971 11.171 1.00 29.94 C ATOM 79 HG1 THR A 5 4.575 -4.299 12.663 1.00 0.00 H ATOM 80 H THR A 5 1.858 -6.882 11.442 1.00 0.00 H ATOM 81 N LEU A 6 4.181 -5.621 8.403 1.00 38.70 N ATOM 82 CA LEU A 6 4.423 -6.221 7.097 1.00 36.28 C ATOM 83 C LEU A 6 5.905 -6.440 6.839 1.00 32.69 C ATOM 84 O LEU A 6 6.732 -5.568 7.108 1.00 32.14 O ATOM 85 CB LEU A 6 3.823 -5.354 5.992 1.00 33.93 C ATOM 86 CG LEU A 6 2.307 -5.177 6.060 1.00 31.74 C ATOM 87 CD1 LEU A 6 1.825 -4.392 4.859 1.00 22.16 C ATOM 88 CD2 LEU A 6 1.606 -6.525 6.141 1.00 32.02 C ATOM 89 H LEU A 6 4.398 -4.615 8.556 1.00 0.00 H ATOM 90 N CYS A 7 6.229 -7.620 6.321 1.00 31.10 N ATOM 91 CA CYS A 7 7.599 -7.951 5.961 1.00 26.56 C ATOM 92 C CYS A 7 8.073 -7.029 4.848 1.00 26.93 C ATOM 93 O CYS A 7 7.353 -6.809 3.878 1.00 30.54 O ATOM 94 CB CYS A 7 7.703 -9.412 5.529 1.00 26.00 C ATOM 95 SG CYS A 7 9.353 -9.900 5.004 1.00 28.15 S ATOM 96 H CYS A 7 5.482 -8.327 6.169 1.00 0.00 H ATOM 97 N GLY A 8 9.277 -6.487 4.994 1.00 26.69 N ATOM 98 CA GLY A 8 9.807 -5.549 4.023 1.00 26.62 C ATOM 99 C GLY A 8 10.215 -6.197 2.712 1.00 32.40 C ATOM 100 O GLY A 8 10.511 -5.504 1.738 1.00 35.13 O ATOM 101 H GLY A 8 9.852 -6.741 5.823 1.00 0.00 H ATOM 102 N ALA A 9 10.228 -7.528 2.688 1.00 30.34 N ATOM 103 CA ALA A 9 10.632 -8.276 1.501 1.00 34.28 C ATOM 104 C ALA A 9 9.436 -8.839 0.729 1.00 36.86 C ATOM 105 O ALA A 9 9.257 -8.543 -0.454 1.00 38.55 O ATOM 106 CB ALA A 9 11.585 -9.404 1.891 1.00 26.85 C ATOM 107 H ALA A 9 9.942 -8.051 3.540 1.00 0.00 H ATOM 108 N CYS A 10 8.621 -9.650 1.399 1.00 35.54 N ATOM 109 CA CYS A 10 7.493 -10.310 0.745 1.00 32.03 C ATOM 110 C CYS A 10 6.192 -9.523 0.902 1.00 32.99 C ATOM 111 O CYS A 10 5.268 -9.668 0.101 1.00 34.12 O ATOM 112 CB CYS A 10 7.316 -11.726 1.294 1.00 31.05 C ATOM 113 SG CYS A 10 6.742 -11.798 3.003 1.00 28.68 S ATOM 114 H CYS A 10 8.791 -9.818 2.411 1.00 0.00 H ATOM 115 N GLY A 11 6.117 -8.701 1.943 1.00 33.07 N ATOM 116 CA GLY A 11 4.970 -7.832 2.135 1.00 28.01 C ATOM 117 C GLY A 11 3.777 -8.499 2.792 1.00 28.12 C ATOM 118 O GLY A 11 2.682 -7.941 2.799 1.00 32.58 O ATOM 119 H GLY A 11 6.895 -8.680 2.633 1.00 0.00 H ATOM 120 N ASP A 12 3.979 -9.691 3.344 1.00 28.26 N ATOM 121 CA ASP A 12 2.903 -10.394 4.041 1.00 28.31 C ATOM 122 C ASP A 12 2.847 -10.051 5.530 1.00 40.18 C ATOM 123 O ASP A 12 3.765 -9.441 6.083 1.00 38.51 O ATOM 124 CB ASP A 12 3.050 -11.905 3.881 1.00 28.84 C ATOM 125 CG ASP A 12 2.595 -12.395 2.522 1.00 41.63 C ATOM 126 OD1 ASP A 12 1.989 -11.602 1.763 1.00 38.24 O ATOM 127 OD2 ASP A 12 2.834 -13.584 2.219 1.00 45.21 O ATOM 128 H ASP A 12 4.919 -10.131 3.279 1.00 0.00 H ATOM 129 N SER A 13 1.760 -10.460 6.177 1.00 41.83 N ATOM 130 CA SER A 13 1.576 -10.218 7.601 1.00 38.76 C ATOM 131 C SER A 13 2.329 -11.261 8.421 1.00 39.04 C ATOM 132 O SER A 13 2.917 -12.190 7.869 1.00 34.63 O ATOM 133 CB SER A 13 0.089 -10.239 7.960 1.00 43.22 C ATOM 134 OG SER A 13 -0.691 -9.621 6.950 1.00 48.98 O ATOM 135 HG SER A 13 -1.646 -9.649 7.209 1.00 0.00 H ATOM 136 H SER A 13 1.020 -10.967 5.651 1.00 0.00 H ATOM 137 N ASP A 14 2.307 -11.106 9.741 1.00 40.41 N ATOM 138 CA ASP A 14 2.952 -12.073 10.620 1.00 38.85 C ATOM 139 C ASP A 14 2.025 -13.250 10.895 1.00 37.83 C ATOM 140 O ASP A 14 0.831 -13.069 11.128 1.00 38.93 O ATOM 141 CB ASP A 14 3.379 -11.416 11.935 1.00 41.40 C ATOM 142 CG ASP A 14 2.207 -10.865 12.719 1.00 51.07 C ATOM 143 OD1 ASP A 14 1.756 -9.742 12.399 1.00 59.23 O ATOM 144 OD2 ASP A 14 1.736 -11.552 13.654 1.00 42.81 O ATOM 145 H ASP A 14 1.823 -10.283 10.152 1.00 0.00 H ATOM 146 N GLY A 15 2.581 -14.456 10.859 1.00 37.78 N ATOM 147 CA GLY A 15 1.818 -15.658 11.132 1.00 26.31 C ATOM 148 C GLY A 15 2.326 -16.383 12.364 1.00 32.07 C ATOM 149 O GLY A 15 3.060 -15.815 13.176 1.00 32.89 O ATOM 150 H GLY A 15 3.592 -14.540 10.629 1.00 0.00 H ATOM 151 N ALA A 16 1.947 -17.649 12.495 1.00 28.79 N ATOM 152 CA ALA A 16 2.257 -18.419 13.692 1.00 24.56 C ATOM 153 C ALA A 16 3.650 -19.040 13.645 1.00 28.23 C ATOM 154 O ALA A 16 4.045 -19.626 12.639 1.00 33.66 O ATOM 155 CB ALA A 16 1.211 -19.498 13.900 1.00 31.20 C ATOM 156 H ALA A 16 1.416 -18.102 11.724 1.00 0.00 H ATOM 157 N ASP A 17 4.379 -18.898 14.748 1.00 30.04 N ATOM 158 CA ASP A 17 5.677 -19.537 14.948 1.00 28.68 C ATOM 159 C ASP A 17 6.698 -19.137 13.888 1.00 28.16 C ATOM 160 O ASP A 17 7.429 -19.978 13.364 1.00 34.37 O ATOM 161 CB ASP A 17 5.516 -21.057 14.978 1.00 23.97 C ATOM 162 CG ASP A 17 6.663 -21.746 15.679 1.00 31.54 C ATOM 163 OD1 ASP A 17 7.419 -21.057 16.396 1.00 34.28 O ATOM 164 OD2 ASP A 17 6.805 -22.976 15.521 1.00 39.00 O ATOM 165 H ASP A 17 4.004 -18.299 15.511 1.00 0.00 H ATOM 166 N GLU A 18 6.747 -17.844 13.588 1.00 29.07 N ATOM 167 CA GLU A 18 7.675 -17.312 12.599 1.00 29.26 C ATOM 168 C GLU A 18 8.798 -16.532 13.266 1.00 32.62 C ATOM 169 O GLU A 18 8.585 -15.868 14.284 1.00 30.77 O ATOM 170 CB GLU A 18 6.942 -16.410 11.609 1.00 26.24 C ATOM 171 CG GLU A 18 5.853 -17.106 10.828 1.00 25.85 C ATOM 172 CD GLU A 18 5.082 -16.148 9.950 1.00 34.85 C ATOM 173 OE1 GLU A 18 5.296 -14.922 10.076 1.00 37.21 O ATOM 174 OE2 GLU A 18 4.258 -16.615 9.134 1.00 36.43 O ATOM 175 H GLU A 18 6.102 -17.190 14.075 1.00 0.00 H ATOM 176 N PHE A 19 9.995 -16.609 12.695 1.00 28.29 N ATOM 177 CA PHE A 19 11.112 -15.820 13.199 1.00 29.56 C ATOM 178 C PHE A 19 11.251 -14.525 12.411 1.00 31.19 C ATOM 179 O PHE A 19 11.320 -14.537 11.183 1.00 29.88 O ATOM 180 CB PHE A 19 12.421 -16.608 13.140 1.00 30.56 C ATOM 181 CG PHE A 19 13.610 -15.831 13.630 1.00 31.15 C ATOM 182 CD1 PHE A 19 13.790 -15.590 14.983 1.00 28.41 C ATOM 183 CD2 PHE A 19 14.541 -15.329 12.737 1.00 29.88 C ATOM 184 CE1 PHE A 19 14.881 -14.868 15.435 1.00 28.43 C ATOM 185 CE2 PHE A 19 15.635 -14.605 13.183 1.00 24.99 C ATOM 186 CZ PHE A 19 15.802 -14.376 14.532 1.00 27.77 C ATOM 187 H PHE A 19 10.137 -17.239 11.880 1.00 0.00 H ATOM 188 N TRP A 20 11.292 -13.410 13.129 1.00 29.56 N ATOM 189 CA TRP A 20 11.403 -12.098 12.511 1.00 25.65 C ATOM 190 C TRP A 20 12.637 -11.355 13.000 1.00 26.63 C ATOM 191 O TRP A 20 13.136 -11.610 14.097 1.00 29.06 O ATOM 192 CB TRP A 20 10.163 -11.255 12.809 1.00 27.97 C ATOM 193 CG TRP A 20 8.923 -11.668 12.090 1.00 25.21 C ATOM 194 CD1 TRP A 20 8.190 -12.799 12.295 1.00 28.79 C ATOM 195 CD2 TRP A 20 8.243 -10.928 11.070 1.00 28.32 C ATOM 196 NE1 TRP A 20 7.102 -12.819 11.452 1.00 27.48 N ATOM 197 CE2 TRP A 20 7.113 -11.679 10.691 1.00 29.22 C ATOM 198 CE3 TRP A 20 8.486 -9.706 10.433 1.00 26.45 C ATOM 199 CZ2 TRP A 20 6.227 -11.248 9.706 1.00 29.80 C ATOM 200 CZ3 TRP A 20 7.606 -9.281 9.452 1.00 26.00 C ATOM 201 CH2 TRP A 20 6.490 -10.049 9.099 1.00 27.10 C ATOM 202 HE1 TRP A 20 6.389 -13.575 11.401 1.00 0.00 H ATOM 203 H TRP A 20 11.243 -13.476 14.166 1.00 0.00 H ATOM 204 N ILE A 21 13.112 -10.418 12.189 1.00 22.92 N ATOM 205 CA ILE A 21 14.240 -9.580 12.573 1.00 25.62 C ATOM 206 C ILE A 21 14.030 -8.157 12.049 1.00 24.80 C ATOM 207 O ILE A 21 13.420 -7.953 10.995 1.00 21.80 O ATOM 208 CB ILE A 21 15.575 -10.167 12.060 1.00 23.99 C ATOM 209 CG1 ILE A 21 16.765 -9.392 12.627 1.00 20.29 C ATOM 210 CG2 ILE A 21 15.606 -10.216 10.534 1.00 21.64 C ATOM 211 CD1 ILE A 21 18.097 -10.033 12.326 1.00 25.55 C ATOM 212 H ILE A 21 12.669 -10.279 11.258 1.00 0.00 H ATOM 213 N CYS A 22 14.514 -7.177 12.805 1.00 25.83 N ATOM 214 CA CYS A 22 14.273 -5.776 12.487 1.00 27.12 C ATOM 215 C CYS A 22 15.561 -5.039 12.142 1.00 24.74 C ATOM 216 O CYS A 22 16.581 -5.205 12.809 1.00 23.95 O ATOM 217 CB CYS A 22 13.578 -5.088 13.662 1.00 23.25 C ATOM 218 SG CYS A 22 12.861 -3.486 13.278 1.00 27.79 S ATOM 219 H CYS A 22 15.079 -7.416 13.645 1.00 0.00 H ATOM 220 N CYS A 23 15.505 -4.222 11.097 1.00 25.49 N ATOM 221 CA CYS A 23 16.635 -3.384 10.719 1.00 29.54 C ATOM 222 C CYS A 23 16.757 -2.195 11.673 1.00 30.01 C ATOM 223 O CYS A 23 15.781 -1.495 11.923 1.00 27.39 O ATOM 224 CB CYS A 23 16.476 -2.902 9.278 1.00 22.23 C ATOM 225 SG CYS A 23 17.767 -1.769 8.730 1.00 25.74 S ATOM 226 H CYS A 23 14.632 -4.179 10.534 1.00 0.00 H ATOM 227 N ASP A 24 17.951 -1.960 12.207 1.00 26.75 N ATOM 228 CA ASP A 24 18.121 -0.895 13.193 1.00 26.20 C ATOM 229 C ASP A 24 18.212 0.495 12.561 1.00 30.69 C ATOM 230 O ASP A 24 18.236 1.505 13.269 1.00 24.51 O ATOM 231 CB ASP A 24 19.362 -1.156 14.052 1.00 24.06 C ATOM 232 CG ASP A 24 19.112 -2.187 15.141 1.00 31.11 C ATOM 233 OD1 ASP A 24 17.931 -2.465 15.448 1.00 28.93 O ATOM 234 OD2 ASP A 24 20.095 -2.716 15.702 1.00 34.74 O ATOM 235 H ASP A 24 18.768 -2.537 11.922 1.00 0.00 H ATOM 236 N LEU A 25 18.249 0.552 11.233 1.00 31.69 N ATOM 237 CA LEU A 25 18.402 1.832 10.551 1.00 31.61 C ATOM 238 C LEU A 25 17.085 2.373 9.992 1.00 30.44 C ATOM 239 O LEU A 25 16.778 3.552 10.166 1.00 35.67 O ATOM 240 CB LEU A 25 19.438 1.718 9.432 1.00 33.23 C ATOM 241 CG LEU A 25 20.898 1.603 9.890 1.00 34.55 C ATOM 242 CD1 LEU A 25 21.840 1.931 8.746 1.00 46.69 C ATOM 243 CD2 LEU A 25 21.184 2.497 11.088 1.00 38.93 C ATOM 244 H LEU A 25 18.168 -0.323 10.676 1.00 0.00 H ATOM 245 N CYS A 26 16.310 1.520 9.327 1.00 26.46 N ATOM 246 CA CYS A 26 15.035 1.950 8.753 1.00 28.50 C ATOM 247 C CYS A 26 13.855 1.416 9.562 1.00 31.17 C ATOM 248 O CYS A 26 12.707 1.804 9.335 1.00 28.95 O ATOM 249 CB CYS A 26 14.917 1.502 7.292 1.00 26.42 C ATOM 250 SG CYS A 26 14.607 -0.269 7.050 1.00 28.88 S ATOM 251 H CYS A 26 16.615 0.532 9.214 1.00 0.00 H ATOM 252 N GLU A 27 14.157 0.518 10.497 1.00 32.73 N ATOM 253 CA GLU A 27 13.173 -0.074 11.406 1.00 30.99 C ATOM 254 C GLU A 27 12.073 -0.863 10.702 1.00 28.50 C ATOM 255 O GLU A 27 10.938 -0.910 11.171 1.00 38.69 O ATOM 256 CB GLU A 27 12.558 1.008 12.293 1.00 31.92 C ATOM 257 CG GLU A 27 13.556 1.614 13.265 1.00 34.32 C ATOM 258 CD GLU A 27 12.931 2.627 14.200 1.00 45.76 C ATOM 259 OE1 GLU A 27 12.223 3.536 13.714 1.00 47.71 O ATOM 260 OE2 GLU A 27 13.149 2.512 15.426 1.00 48.94 O ATOM 261 H GLU A 27 15.149 0.219 10.587 1.00 0.00 H ATOM 262 N LYS A 28 12.419 -1.496 9.587 1.00 27.88 N ATOM 263 CA LYS A 28 11.516 -2.435 8.934 1.00 29.40 C ATOM 264 C LYS A 28 11.689 -3.839 9.519 1.00 27.28 C ATOM 265 O LYS A 28 12.783 -4.215 9.944 1.00 27.43 O ATOM 266 CB LYS A 28 11.757 -2.466 7.423 1.00 29.60 C ATOM 267 CG LYS A 28 11.236 -1.252 6.671 1.00 33.88 C ATOM 268 CD LYS A 28 11.540 -1.377 5.185 1.00 39.48 C ATOM 269 CE LYS A 28 11.100 -0.144 4.408 1.00 48.32 C ATOM 270 NZ LYS A 28 11.474 -0.237 2.962 1.00 50.46 N ATOM 271 HZ1 LYS A 28 12.507 -0.326 2.877 1.00 0.00 H ATOM 272 HZ2 LYS A 28 11.017 -1.070 2.540 1.00 0.00 H ATOM 273 HZ3 LYS A 28 11.157 0.621 2.467 1.00 0.00 H ATOM 274 H LYS A 28 13.355 -1.318 9.171 1.00 0.00 H ATOM 275 N TRP A 29 10.604 -4.605 9.543 1.00 27.22 N ATOM 276 CA TRP A 29 10.648 -5.987 10.004 1.00 21.75 C ATOM 277 C TRP A 29 10.720 -6.944 8.823 1.00 24.70 C ATOM 278 O TRP A 29 10.208 -6.651 7.744 1.00 25.67 O ATOM 279 CB TRP A 29 9.426 -6.315 10.863 1.00 23.13 C ATOM 280 CG TRP A 29 9.538 -5.894 12.290 1.00 27.10 C ATOM 281 CD1 TRP A 29 9.019 -4.763 12.859 1.00 27.10 C ATOM 282 CD2 TRP A 29 10.198 -6.606 13.342 1.00 23.83 C ATOM 283 NE1 TRP A 29 9.319 -4.727 14.198 1.00 24.02 N ATOM 284 CE2 TRP A 29 10.045 -5.846 14.521 1.00 28.26 C ATOM 285 CE3 TRP A 29 10.904 -7.811 13.403 1.00 21.93 C ATOM 286 CZ2 TRP A 29 10.574 -6.252 15.745 1.00 23.46 C ATOM 287 CZ3 TRP A 29 11.430 -8.211 14.619 1.00 24.93 C ATOM 288 CH2 TRP A 29 11.261 -7.435 15.774 1.00 21.94 C ATOM 289 HE1 TRP A 29 9.041 -3.974 14.860 1.00 0.00 H ATOM 290 H TRP A 29 9.698 -4.207 9.224 1.00 0.00 H ATOM 291 N PHE A 30 11.352 -8.092 9.039 1.00 27.09 N ATOM 292 CA PHE A 30 11.519 -9.090 7.987 1.00 24.55 C ATOM 293 C PHE A 30 11.342 -10.505 8.523 1.00 26.28 C ATOM 294 O PHE A 30 11.852 -10.829 9.595 1.00 27.62 O ATOM 295 CB PHE A 30 12.905 -8.969 7.343 1.00 23.91 C ATOM 296 CG PHE A 30 13.167 -7.640 6.685 1.00 24.60 C ATOM 297 CD1 PHE A 30 13.683 -6.576 7.410 1.00 24.95 C ATOM 298 CD2 PHE A 30 12.920 -7.465 5.334 1.00 24.36 C ATOM 299 CE1 PHE A 30 13.931 -5.354 6.799 1.00 29.26 C ATOM 300 CE2 PHE A 30 13.166 -6.249 4.715 1.00 22.98 C ATOM 301 CZ PHE A 30 13.672 -5.191 5.446 1.00 24.26 C ATOM 302 H PHE A 30 11.739 -8.285 9.985 1.00 0.00 H ATOM 303 N HIS A 31 10.622 -11.344 7.781 1.00 29.96 N ATOM 304 CA HIS A 31 10.688 -12.783 8.008 1.00 29.21 C ATOM 305 C HIS A 31 12.152 -13.192 7.952 1.00 30.76 C ATOM 306 O HIS A 31 12.868 -12.794 7.033 1.00 28.57 O ATOM 307 CB HIS A 31 9.900 -13.573 6.954 1.00 27.98 C ATOM 308 CG HIS A 31 8.412 -13.450 7.067 1.00 28.53 C ATOM 309 ND1 HIS A 31 7.662 -12.688 6.197 1.00 32.12 N ATOM 310 CD2 HIS A 31 7.533 -14.016 7.926 1.00 30.09 C ATOM 311 CE1 HIS A 31 6.385 -12.778 6.525 1.00 28.93 C ATOM 312 NE2 HIS A 31 6.280 -13.580 7.569 1.00 31.33 N ATOM 313 H HIS A 31 10.006 -10.969 7.032 1.00 0.00 H ATOM 314 N GLY A 32 12.599 -13.975 8.927 1.00 32.84 N ATOM 315 CA GLY A 32 13.945 -14.516 8.898 1.00 27.34 C ATOM 316 C GLY A 32 14.153 -15.340 7.640 1.00 31.86 C ATOM 317 O GLY A 32 15.231 -15.330 7.046 1.00 32.21 O ATOM 318 H GLY A 32 11.973 -14.204 9.725 1.00 0.00 H ATOM 319 N LYS A 33 13.098 -16.039 7.228 1.00 29.18 N ATOM 320 CA LYS A 33 13.124 -16.864 6.027 1.00 32.62 C ATOM 321 C LYS A 33 13.307 -16.032 4.764 1.00 32.71 C ATOM 322 O LYS A 33 13.828 -16.522 3.762 1.00 40.54 O ATOM 323 CB LYS A 33 11.835 -17.680 5.907 1.00 37.39 C ATOM 324 CG LYS A 33 11.634 -18.723 6.994 1.00 43.29 C ATOM 325 CD LYS A 33 12.588 -19.892 6.833 1.00 48.95 C ATOM 326 CE LYS A 33 12.292 -20.981 7.855 1.00 52.48 C ATOM 327 NZ LYS A 33 10.885 -21.466 7.770 1.00 51.42 N ATOM 328 HZ1 LYS A 33 10.235 -20.673 7.945 1.00 0.00 H ATOM 329 HZ2 LYS A 33 10.711 -21.856 6.822 1.00 0.00 H ATOM 330 HZ3 LYS A 33 10.731 -22.206 8.484 1.00 0.00 H ATOM 331 H LYS A 33 12.221 -15.995 7.785 1.00 0.00 H ATOM 332 N CYS A 34 12.871 -14.776 4.809 1.00 28.64 N ATOM 333 CA CYS A 34 12.923 -13.917 3.629 1.00 33.04 C ATOM 334 C CYS A 34 14.288 -13.262 3.444 1.00 29.56 C ATOM 335 O CYS A 34 14.722 -13.040 2.316 1.00 36.63 O ATOM 336 CB CYS A 34 11.829 -12.849 3.700 1.00 31.89 C ATOM 337 SG CYS A 34 10.159 -13.497 3.434 1.00 30.28 S ATOM 338 H CYS A 34 12.487 -14.400 5.699 1.00 0.00 H ATOM 339 N VAL A 35 14.964 -12.953 4.545 1.00 27.37 N ATOM 340 CA VAL A 35 16.312 -12.396 4.466 1.00 27.69 C ATOM 341 C VAL A 35 17.352 -13.474 4.776 1.00 29.64 C ATOM 342 O VAL A 35 18.538 -13.183 4.936 1.00 28.97 O ATOM 343 CB VAL A 35 16.496 -11.196 5.419 1.00 28.24 C ATOM 344 CG1 VAL A 35 15.730 -9.987 4.905 1.00 21.92 C ATOM 345 CG2 VAL A 35 16.063 -11.558 6.834 1.00 26.37 C ATOM 346 H VAL A 35 14.528 -13.110 5.476 1.00 0.00 H ATOM 347 N LYS A 36 16.884 -14.717 4.859 1.00 33.91 N ATOM 348 CA LYS A 36 17.746 -15.891 4.999 1.00 32.95 C ATOM 349 C LYS A 36 18.591 -15.852 6.266 1.00 30.74 C ATOM 350 O LYS A 36 19.791 -16.122 6.238 1.00 37.36 O ATOM 351 CB LYS A 36 18.649 -16.037 3.775 1.00 36.17 C ATOM 352 CG LYS A 36 17.884 -16.295 2.488 1.00 35.68 C ATOM 353 CD LYS A 36 18.818 -16.470 1.304 1.00 40.84 C ATOM 354 CE LYS A 36 18.046 -16.871 0.055 1.00 50.49 C ATOM 355 NZ LYS A 36 17.239 -18.106 0.282 1.00 59.17 N ATOM 356 HZ1 LYS A 36 17.872 -18.889 0.544 1.00 0.00 H ATOM 357 HZ2 LYS A 36 16.558 -17.938 1.050 1.00 0.00 H ATOM 358 HZ3 LYS A 36 16.727 -18.349 -0.590 1.00 0.00 H ATOM 359 H LYS A 36 15.855 -14.861 4.823 1.00 0.00 H ATOM 360 N ILE A 37 17.954 -15.517 7.379 1.00 32.17 N ATOM 361 CA ILE A 37 18.629 -15.494 8.664 1.00 34.06 C ATOM 362 C ILE A 37 17.882 -16.356 9.672 1.00 30.70 C ATOM 363 O ILE A 37 16.684 -16.182 9.889 1.00 31.89 O ATOM 364 CB ILE A 37 18.759 -14.062 9.207 1.00 28.90 C ATOM 365 CG1 ILE A 37 19.604 -13.215 8.253 1.00 30.21 C ATOM 366 CG2 ILE A 37 19.363 -14.079 10.600 1.00 28.18 C ATOM 367 CD1 ILE A 37 19.638 -11.754 8.600 1.00 22.41 C ATOM 368 H ILE A 37 16.946 -15.265 7.331 1.00 0.00 H ATOM 369 N THR A 38 18.600 -17.301 10.265 1.00 31.76 N ATOM 370 CA THR A 38 18.050 -18.152 11.309 1.00 32.98 C ATOM 371 C THR A 38 18.198 -17.472 12.667 1.00 28.37 C ATOM 372 O THR A 38 18.998 -16.547 12.811 1.00 32.24 O ATOM 373 CB THR A 38 18.748 -19.526 11.333 1.00 34.26 C ATOM 374 OG1 THR A 38 20.148 -19.348 11.582 1.00 32.82 O ATOM 375 CG2 THR A 38 18.554 -20.248 10.007 1.00 22.81 C ATOM 376 HG1 THR A 38 20.541 -18.790 10.865 1.00 0.00 H ATOM 377 H THR A 38 19.589 -17.438 9.974 1.00 0.00 H ATOM 378 N PRO A 39 17.413 -17.913 13.664 1.00 32.44 N ATOM 379 CA PRO A 39 17.581 -17.418 15.036 1.00 29.07 C ATOM 380 C PRO A 39 19.016 -17.577 15.535 1.00 32.14 C ATOM 381 O PRO A 39 19.543 -16.683 16.198 1.00 34.52 O ATOM 382 CB PRO A 39 16.622 -18.297 15.839 1.00 29.04 C ATOM 383 CG PRO A 39 15.549 -18.649 14.866 1.00 27.84 C ATOM 384 CD PRO A 39 16.228 -18.783 13.534 1.00 29.52 C ATOM 385 N ALA A 40 19.636 -18.705 15.199 1.00 34.38 N ATOM 386 CA ALA A 40 21.005 -18.998 15.614 1.00 30.26 C ATOM 387 C ALA A 40 21.989 -17.965 15.079 1.00 35.95 C ATOM 388 O ALA A 40 22.844 -17.471 15.814 1.00 40.94 O ATOM 389 CB ALA A 40 21.406 -20.390 15.154 1.00 23.88 C ATOM 390 H ALA A 40 19.127 -19.403 14.620 1.00 0.00 H ATOM 391 N ARG A 41 21.865 -17.645 13.795 1.00 37.29 N ATOM 392 CA ARG A 41 22.724 -16.644 13.173 1.00 32.35 C ATOM 393 C ARG A 41 22.451 -15.260 13.753 1.00 35.10 C ATOM 394 O ARG A 41 23.381 -14.521 14.078 1.00 38.01 O ATOM 395 CB ARG A 41 22.528 -16.629 11.655 1.00 36.69 C ATOM 396 CG ARG A 41 23.266 -15.499 10.951 1.00 38.44 C ATOM 397 CD ARG A 41 23.077 -15.545 9.438 1.00 46.21 C ATOM 398 NE ARG A 41 23.761 -16.680 8.824 1.00 53.56 N ATOM 399 CZ ARG A 41 25.029 -16.660 8.424 1.00 50.88 C ATOM 400 NH1 ARG A 41 25.758 -15.561 8.576 1.00 50.52 N ATOM 401 NH2 ARG A 41 25.569 -17.740 7.875 1.00 41.59 N ATOM 402 HE ARG A 41 23.222 -17.560 8.691 1.00 0.00 H ATOM 403 HH12 ARG A 41 26.750 -15.547 8.263 1.00 0.00 H ATOM 404 HH11 ARG A 41 25.338 -14.714 9.009 1.00 0.00 H ATOM 405 HH22 ARG A 41 26.561 -17.724 7.562 1.00 0.00 H ATOM 406 HH21 ARG A 41 25.001 -18.603 7.757 1.00 0.00 H ATOM 407 H ARG A 41 21.139 -18.119 13.221 1.00 0.00 H ATOM 408 N ALA A 42 21.170 -14.925 13.894 1.00 34.65 N ATOM 409 CA ALA A 42 20.759 -13.610 14.382 1.00 36.76 C ATOM 410 C ALA A 42 21.272 -13.346 15.794 1.00 36.11 C ATOM 411 O ALA A 42 21.391 -12.194 16.219 1.00 34.47 O ATOM 412 CB ALA A 42 19.243 -13.479 14.339 1.00 31.60 C ATOM 413 H ALA A 42 20.438 -15.622 13.649 1.00 0.00 H ATOM 414 N GLU A 43 21.573 -14.422 16.515 1.00 39.90 N ATOM 415 CA GLU A 43 22.131 -14.319 17.857 1.00 42.38 C ATOM 416 C GLU A 43 23.505 -13.657 17.800 1.00 43.07 C ATOM 417 O GLU A 43 23.911 -12.967 18.733 1.00 40.62 O ATOM 418 CB GLU A 43 22.219 -15.704 18.512 1.00 44.60 C ATOM 419 CG GLU A 43 22.769 -15.707 19.939 1.00 62.32 C ATOM 420 CD GLU A 43 21.797 -15.127 20.961 1.00 66.27 C ATOM 421 OE1 GLU A 43 20.601 -14.973 20.635 1.00 61.47 O ATOM 422 OE2 GLU A 43 22.232 -14.827 22.094 1.00 57.84 O ATOM 423 H GLU A 43 21.405 -15.365 16.109 1.00 0.00 H ATOM 424 N HIS A 44 24.203 -13.850 16.684 1.00 43.28 N ATOM 425 CA HIS A 44 25.540 -13.291 16.499 1.00 47.06 C ATOM 426 C HIS A 44 25.510 -11.905 15.858 1.00 45.19 C ATOM 427 O HIS A 44 26.556 -11.291 15.646 1.00 49.71 O ATOM 428 CB HIS A 44 26.396 -14.231 15.646 1.00 49.42 C ATOM 429 CG HIS A 44 26.662 -15.555 16.290 1.00 61.75 C ATOM 430 ND1 HIS A 44 27.078 -16.661 15.578 1.00 60.59 N ATOM 431 CD2 HIS A 44 26.574 -15.953 17.581 1.00 57.22 C ATOM 432 CE1 HIS A 44 27.232 -17.681 16.401 1.00 62.77 C ATOM 433 NE2 HIS A 44 26.932 -17.279 17.625 1.00 64.74 N ATOM 434 H HIS A 44 23.784 -14.417 15.919 1.00 0.00 H ATOM 435 N ILE A 45 24.313 -11.414 15.551 1.00 42.21 N ATOM 436 CA ILE A 45 24.162 -10.097 14.940 1.00 36.51 C ATOM 437 C ILE A 45 23.866 -9.031 15.997 1.00 36.44 C ATOM 438 O ILE A 45 22.854 -9.100 16.695 1.00 33.57 O ATOM 439 CB ILE A 45 23.040 -10.090 13.879 1.00 37.47 C ATOM 440 CG1 ILE A 45 23.288 -11.171 12.826 1.00 29.38 C ATOM 441 CG2 ILE A 45 22.928 -8.720 13.229 1.00 35.04 C ATOM 442 CD1 ILE A 45 22.225 -11.229 11.749 1.00 28.29 C ATOM 443 H ILE A 45 23.465 -11.981 15.751 1.00 0.00 H ATOM 444 N LYS A 46 24.755 -8.048 16.108 1.00 36.42 N ATOM 445 CA LYS A 46 24.597 -6.975 17.086 1.00 36.99 C ATOM 446 C LYS A 46 23.521 -5.987 16.644 1.00 34.87 C ATOM 447 O LYS A 46 22.563 -5.727 17.373 1.00 36.36 O ATOM 448 CB LYS A 46 25.927 -6.251 17.308 1.00 36.52 C ATOM 449 CG LYS A 46 27.035 -7.153 17.828 1.00 40.01 C ATOM 450 CD LYS A 46 28.346 -6.405 17.974 1.00 45.11 C ATOM 451 CE LYS A 46 29.443 -7.323 18.495 1.00 53.21 C ATOM 452 NZ LYS A 46 30.768 -6.640 18.549 1.00 61.51 N ATOM 453 HZ1 LYS A 46 31.034 -6.326 17.594 1.00 0.00 H ATOM 454 HZ2 LYS A 46 30.707 -5.817 19.181 1.00 0.00 H ATOM 455 HZ3 LYS A 46 31.484 -7.303 18.909 1.00 0.00 H ATOM 456 H LYS A 46 25.585 -8.043 15.481 1.00 0.00 H ATOM 457 N GLN A 47 23.685 -5.439 15.444 1.00 32.97 N ATOM 458 CA GLN A 47 22.694 -4.536 14.865 1.00 30.20 C ATOM 459 C GLN A 47 22.378 -4.928 13.425 1.00 34.00 C ATOM 460 O GLN A 47 23.215 -4.773 12.533 1.00 34.49 O ATOM 461 CB GLN A 47 23.186 -3.091 14.898 1.00 32.32 C ATOM 462 CG GLN A 47 23.495 -2.541 16.275 1.00 30.11 C ATOM 463 CD GLN A 47 23.835 -1.063 16.227 1.00 34.03 C ATOM 464 OE1 GLN A 47 24.914 -0.678 15.777 1.00 42.76 O ATOM 465 NE2 GLN A 47 22.909 -0.226 16.680 1.00 39.60 N ATOM 466 HE22 GLN A 47 22.011 -0.596 17.052 1.00 0.00 H ATOM 467 HE21 GLN A 47 23.082 0.799 16.663 1.00 0.00 H ATOM 468 H GLN A 47 24.544 -5.660 14.902 1.00 0.00 H ATOM 469 N TYR A 48 21.171 -5.425 13.186 1.00 26.57 N ATOM 470 CA TYR A 48 20.828 -5.856 11.841 1.00 27.47 C ATOM 471 C TYR A 48 20.577 -4.678 10.911 1.00 27.35 C ATOM 472 O TYR A 48 19.861 -3.734 11.251 1.00 24.67 O ATOM 473 CB TYR A 48 19.605 -6.772 11.842 1.00 26.82 C ATOM 474 CG TYR A 48 19.249 -7.224 10.446 1.00 27.08 C ATOM 475 CD1 TYR A 48 20.169 -7.924 9.676 1.00 26.00 C ATOM 476 CD2 TYR A 48 18.010 -6.937 9.888 1.00 24.93 C ATOM 477 CE1 TYR A 48 19.866 -8.331 8.396 1.00 24.94 C ATOM 478 CE2 TYR A 48 17.695 -7.348 8.600 1.00 25.70 C ATOM 479 CZ TYR A 48 18.631 -8.044 7.861 1.00 26.77 C ATOM 480 OH TYR A 48 18.349 -8.464 6.581 1.00 26.41 O ATOM 481 HH TYR A 48 19.133 -8.942 6.212 1.00 0.00 H ATOM 482 H TYR A 48 20.476 -5.505 13.955 1.00 0.00 H ATOM 483 N LYS A 49 21.175 -4.758 9.729 1.00 26.69 N ATOM 484 CA LYS A 49 21.018 -3.746 8.696 1.00 26.62 C ATOM 485 C LYS A 49 20.527 -4.421 7.421 1.00 28.32 C ATOM 486 O LYS A 49 21.222 -5.256 6.843 1.00 30.59 O ATOM 487 CB LYS A 49 22.340 -3.015 8.470 1.00 34.68 C ATOM 488 CG LYS A 49 22.301 -1.866 7.486 1.00 33.88 C ATOM 489 CD LYS A 49 23.557 -1.021 7.643 1.00 37.70 C ATOM 490 CE LYS A 49 24.805 -1.896 7.643 1.00 42.51 C ATOM 491 NZ LYS A 49 26.068 -1.107 7.702 1.00 43.68 N ATOM 492 HZ1 LYS A 49 26.122 -0.478 6.875 1.00 0.00 H ATOM 493 HZ2 LYS A 49 26.080 -0.538 8.573 1.00 0.00 H ATOM 494 HZ3 LYS A 49 26.881 -1.756 7.699 1.00 0.00 H ATOM 495 H LYS A 49 21.782 -5.579 9.533 1.00 0.00 H ATOM 496 N CYS A 50 19.316 -4.066 7.004 1.00 29.79 N ATOM 497 CA CYS A 50 18.644 -4.729 5.893 1.00 29.67 C ATOM 498 C CYS A 50 19.404 -4.496 4.585 1.00 33.55 C ATOM 499 O CYS A 50 20.238 -3.594 4.514 1.00 36.84 O ATOM 500 CB CYS A 50 17.194 -4.232 5.791 1.00 24.06 C ATOM 501 SG CYS A 50 17.014 -2.592 5.081 1.00 29.93 S ATOM 502 H CYS A 50 18.829 -3.285 7.489 1.00 0.00 H ATOM 503 N PRO A 51 19.135 -5.324 3.553 1.00 32.98 N ATOM 504 CA PRO A 51 19.795 -5.192 2.246 1.00 35.28 C ATOM 505 C PRO A 51 19.737 -3.778 1.664 1.00 35.66 C ATOM 506 O PRO A 51 20.744 -3.285 1.153 1.00 40.52 O ATOM 507 CB PRO A 51 19.006 -6.158 1.362 1.00 33.42 C ATOM 508 CG PRO A 51 18.525 -7.200 2.298 1.00 35.12 C ATOM 509 CD PRO A 51 18.246 -6.502 3.594 1.00 27.93 C ATOM 510 N SER A 52 18.575 -3.140 1.744 1.00 31.98 N ATOM 511 CA SER A 52 18.406 -1.804 1.194 1.00 30.46 C ATOM 512 C SER A 52 19.291 -0.777 1.895 1.00 39.47 C ATOM 513 O SER A 52 19.887 0.084 1.246 1.00 43.47 O ATOM 514 CB SER A 52 16.944 -1.376 1.287 1.00 32.34 C ATOM 515 OG SER A 52 16.777 -0.057 0.787 1.00 34.91 O ATOM 516 HG SER A 52 15.824 0.202 0.855 1.00 0.00 H ATOM 517 H SER A 52 17.769 -3.605 2.209 1.00 0.00 H ATOM 518 N CYS A 53 19.374 -0.869 3.219 1.00 38.18 N ATOM 519 CA CYS A 53 20.156 0.083 4.002 1.00 35.57 C ATOM 520 C CYS A 53 21.650 -0.178 3.866 1.00 37.88 C ATOM 521 O CYS A 53 22.467 0.713 4.085 1.00 39.87 O ATOM 522 CB CYS A 53 19.744 0.034 5.476 1.00 32.65 C ATOM 523 SG CYS A 53 18.153 0.806 5.824 1.00 36.51 S ATOM 524 H CYS A 53 18.870 -1.637 3.708 1.00 0.00 H ATOM 525 N SER A 54 22.000 -1.402 3.488 1.00 39.61 N ATOM 526 CA SER A 54 23.400 -1.783 3.350 1.00 47.33 C ATOM 527 C SER A 54 24.010 -1.310 2.028 1.00 50.88 C ATOM 528 O SER A 54 25.120 -1.706 1.676 1.00 57.34 O ATOM 529 CB SER A 54 23.553 -3.301 3.477 1.00 41.40 C ATOM 530 OG SER A 54 23.134 -3.754 4.753 1.00 33.00 O ATOM 531 HG SER A 54 22.182 -3.520 4.889 1.00 0.00 H ATOM 532 H SER A 54 21.259 -2.104 3.286 1.00 0.00 H ATOM 533 N ASN A 55 23.286 -0.468 1.297 1.00 50.82 N ATOM 534 CA ASN A 55 23.795 0.085 0.045 1.00 52.96 C ATOM 535 C ASN A 55 24.071 1.581 0.165 1.00 54.68 C ATOM 536 O ASN A 55 23.892 2.169 1.233 1.00 49.85 O ATOM 537 CB ASN A 55 22.812 -0.179 -1.100 1.00 44.45 C ATOM 538 CG ASN A 55 22.584 -1.661 -1.344 1.00 51.63 C ATOM 539 OD1 ASN A 55 23.049 -2.509 -0.579 1.00 51.77 O ATOM 540 ND2 ASN A 55 21.858 -1.979 -2.410 1.00 48.47 N ATOM 541 HD22 ASN A 55 21.486 -1.230 -3.028 1.00 0.00 H ATOM 542 HD21 ASN A 55 21.662 -2.977 -2.627 1.00 0.00 H ATOM 543 H ASN A 55 22.337 -0.197 1.624 1.00 0.00 H TER 544 ASN A 55 HETATM 545 ZN ZN A 1 8.602 -12.051 4.437 1.00 32.84 ZN HETATM 546 ZN ZN A 2 16.850 -0.975 6.655 1.00 30.18 ZN HETATM 547 O HOH 3 15.683 -2.457 14.976 1.00 29.52 O HETATM 548 O HOH 4 -1.151 -12.073 10.311 1.00 47.89 O HETATM 549 O HOH 5 5.258 -3.327 14.093 1.00 45.51 O HETATM 550 O HOH 6 3.559 -14.586 7.644 1.00 29.28 O HETATM 551 O HOH 7 8.362 -3.851 8.057 1.00 28.87 O HETATM 552 O HOH 8 -0.244 -2.066 12.025 1.00 33.13 O HETATM 553 O HOH 9 17.926 -15.178 17.532 1.00 47.86 O HETATM 554 O HOH 10 23.678 -5.015 -0.620 1.00 37.39 O HETATM 555 O HOH 11 20.293 -4.326 17.852 1.00 25.63 O HETATM 556 O HOH 12 18.513 -5.313 14.718 1.00 23.24 O HETATM 557 O HOH 13 6.557 -20.490 19.012 1.00 25.49 O HETATM 558 O HOH 14 9.992 -18.698 10.763 1.00 36.87 O HETATM 559 O HOH 15 4.396 -12.199 -1.006 1.00 36.23 O HETATM 560 O HOH 16 10.715 -16.647 9.237 1.00 29.84 O HETATM 561 O HOH 17 -5.888 -13.972 1.640 1.00 42.92 O HETATM 562 O HOH 18 21.105 -17.962 8.698 1.00 36.04 O HETATM 563 O HOH 19 15.460 -14.865 0.000 1.00 28.49 O HETATM 564 O HOH 20 -1.226 -10.136 11.625 1.00 45.75 O HETATM 565 O HOH 21 6.938 -6.710 -1.415 1.00 41.65 O HETATM 566 O HOH 22 7.508 -2.568 15.597 1.00 35.19 O HETATM 567 O HOH 23 20.790 3.681 14.543 1.00 35.47 O HETATM 568 O HOH 24 15.461 -5.099 0.000 1.00 33.52 O HETATM 569 O HOH 25 15.461 -7.683 0.000 1.00 40.87 O HETATM 570 O HOH 26 13.422 -18.146 17.633 1.00 28.10 O HETATM 571 O HOH 27 -0.257 -24.804 18.939 1.00 43.49 O HETATM 572 O HOH 28 2.884 -14.098 18.622 1.00 26.73 O HETATM 573 O HOH 29 19.999 -10.995 18.355 1.00 27.39 O HETATM 574 O HOH 30 17.937 -12.942 19.028 1.00 30.68 O HETATM 575 O HOH 31 11.720 -4.052 20.918 1.00 34.13 O HETATM 576 O HOH 32 4.087 -10.119 16.226 1.00 36.58 O HETATM 577 O HOH 33 9.632 -1.805 21.314 1.00 48.41 O HETATM 578 O HOH 34 14.129 -0.409 19.353 1.00 28.77 O HETATM 579 N ALA A 35 20.743 -8.358 17.954 1.00 0.24 N HETATM 580 CA ALA A 35 19.863 -7.629 17.050 1.00 0.06 C HETATM 581 C ALA A 35 18.435 -7.616 17.578 1.00 0.23 C HETATM 582 O ALA A 35 18.086 -8.397 18.463 1.00 -0.39 O HETATM 583 N ALA A 35 17.611 -6.726 17.034 1.00 -0.26 N HETATM 584 CA ALA A 35 16.212 -6.665 17.431 1.00 0.13 C HETATM 585 C ALA A 35 15.414 -7.747 16.716 1.00 0.20 C HETATM 586 O ALA A 35 15.105 -7.621 15.533 1.00 -0.39 O HETATM 587 N ALA A 35 15.083 -8.811 17.439 1.00 -0.26 N HETATM 588 CA ALA A 35 14.375 -9.944 16.852 1.00 0.16 C HETATM 589 C ALA A 35 13.119 -10.296 17.638 1.00 0.21 C HETATM 590 O ALA A 35 12.871 -9.750 18.713 1.00 -0.39 O HETATM 591 N ALA A 35 12.329 -11.215 17.094 1.00 -0.26 N HETATM 592 CA ALA A 35 11.156 -11.724 17.791 1.00 0.13 C HETATM 593 CB ALA A 35 9.991 -10.736 17.693 1.00 -0.01 C HETATM 594 CG ALA A 35 9.387 -10.644 16.306 1.00 -0.04 C HETATM 595 CD ALA A 35 8.237 -9.655 16.230 1.00 -0.01 C HETATM 596 CE ALA A 35 7.652 -9.647 14.821 1.00 -0.03 C HETATM 597 NZ ALA A 35 6.461 -8.771 14.664 1.00 0.23 N HETATM 598 CH1 ALA A 35 6.954 -7.393 14.537 1.00 -0.04 C HETATM 599 H39 ALA A 35 6.101 -6.708 14.418 1.00 0.08 H HETATM 600 H40 ALA A 35 7.610 -7.318 13.657 1.00 0.08 H HETATM 601 H41 ALA A 35 7.520 -7.121 15.440 1.00 0.08 H HETATM 602 CH2 ALA A 35 5.857 -9.132 13.374 1.00 -0.04 C HETATM 603 H42 ALA A 35 5.473 -10.162 13.424 1.00 0.08 H HETATM 604 H43 ALA A 35 6.616 -9.062 12.581 1.00 0.08 H HETATM 605 H44 ALA A 35 5.030 -8.442 13.151 1.00 0.08 H HETATM 606 H38 ALA A 35 5.812 -8.871 15.429 1.00 0.20 H HETATM 607 H36 ALA A 35 7.361 -10.676 14.562 1.00 0.08 H HETATM 608 H37 ALA A 35 8.430 -9.300 14.126 1.00 0.08 H HETATM 609 H34 ALA A 35 8.604 -8.648 16.478 1.00 0.03 H HETATM 610 H35 ALA A 35 7.456 -9.947 16.948 1.00 0.03 H HETATM 611 H32 ALA A 35 9.015 -11.638 16.018 1.00 0.03 H HETATM 612 H33 ALA A 35 10.170 -10.327 15.602 1.00 0.03 H HETATM 613 H30 ALA A 35 10.356 -9.739 17.980 1.00 0.03 H HETATM 614 H31 ALA A 35 9.205 -11.055 18.394 1.00 0.03 H HETATM 615 C ALA A 35 10.745 -13.069 17.208 1.00 0.20 C HETATM 616 O ALA A 35 11.004 -13.357 16.039 1.00 -0.39 O HETATM 617 N ALA A 35 10.114 -13.892 18.035 1.00 -0.26 N HETATM 618 CA ALA A 35 9.529 -15.147 17.585 1.00 0.13 C HETATM 619 C ALA A 35 8.048 -15.135 17.937 1.00 0.20 C HETATM 620 O ALA A 35 7.688 -14.933 19.096 1.00 -0.39 O HETATM 621 N ALA A 35 7.192 -15.334 16.941 1.00 -0.26 N HETATM 622 CA ALA A 35 5.752 -15.309 17.176 1.00 0.16 C HETATM 623 C ALA A 35 5.300 -16.598 17.853 1.00 0.21 C HETATM 624 O ALA A 35 5.980 -17.622 17.775 1.00 -0.39 O HETATM 625 N ALA A 35 4.154 -16.541 18.522 1.00 -0.26 N HETATM 626 CA ALA A 35 3.625 -17.696 19.238 1.00 0.13 C HETATM 627 C ALA A 35 3.048 -18.744 18.293 1.00 0.20 C HETATM 628 O ALA A 35 2.878 -18.497 17.098 1.00 -0.39 O HETATM 629 N ALA A 35 2.741 -19.915 18.840 1.00 -0.26 N HETATM 630 CA ALA A 35 2.023 -20.939 18.092 1.00 0.13 C HETATM 631 C ALA A 35 0.519 -20.672 18.146 1.00 0.20 C HETATM 632 O ALA A 35 0.072 -19.720 18.787 1.00 -0.39 O HETATM 633 N ALA A 35 -0.258 -21.516 17.476 1.00 -0.27 N HETATM 634 CA ALA A 35 -1.704 -21.325 17.395 1.00 0.09 C HETATM 635 C ALA A 35 -2.433 -21.844 18.635 1.00 0.06 C HETATM 636 O ALA A 35 -2.096 -22.896 19.177 1.00 -0.57 O HETATM 637 OXT ALA A 35 -3.376 -21.224 19.124 1.00 -0.57 O HETATM 638 CB ALA A 35 -2.249 -22.007 16.139 1.00 -0.02 C HETATM 639 CG ALA A 35 -1.657 -21.449 14.853 1.00 -0.04 C HETATM 640 CD ALA A 35 -2.043 -22.271 13.637 1.00 -0.01 C HETATM 641 CE ALA A 35 -1.420 -21.692 12.375 1.00 -0.04 C HETATM 642 NZ ALA A 35 -1.787 -22.460 11.152 1.00 0.22 N HETATM 643 H88 ALA A 35 -1.351 -22.038 10.347 1.00 0.20 H HETATM 644 H89 ALA A 35 -2.788 -22.449 11.036 1.00 0.20 H HETATM 645 H90 ALA A 35 -1.470 -23.412 11.245 1.00 0.20 H HETATM 646 H86 ALA A 35 -0.326 -21.705 12.484 1.00 0.08 H HETATM 647 H87 ALA A 35 -1.764 -20.654 12.256 1.00 0.08 H HETATM 648 H84 ALA A 35 -3.138 -22.269 13.533 1.00 0.03 H HETATM 649 H85 ALA A 35 -1.690 -23.304 13.773 1.00 0.03 H HETATM 650 H82 ALA A 35 -0.561 -21.442 14.942 1.00 0.03 H HETATM 651 H83 ALA A 35 -2.020 -20.420 14.714 1.00 0.03 H HETATM 652 H80 ALA A 35 -3.340 -21.869 16.111 1.00 0.03 H HETATM 653 H81 ALA A 35 -2.016 -23.081 16.195 1.00 0.03 H HETATM 654 H79 ALA A 35 -1.899 -20.245 17.316 1.00 0.07 H HETATM 655 H78 ALA A 35 0.157 -22.301 17.016 1.00 0.19 H HETATM 656 CB ALA A 35 2.342 -22.331 18.639 1.00 -0.01 C HETATM 657 CG ALA A 35 3.789 -22.746 18.445 1.00 -0.02 C HETATM 658 CD ALA A 35 4.136 -23.961 19.287 1.00 0.06 C HETATM 659 NE ALA A 35 5.492 -24.432 19.026 1.00 -0.27 N HETATM 660 CZ ALA A 35 5.793 -25.422 18.190 1.00 0.29 C HETATM 661 NH1 ALA A 35 4.829 -26.056 17.535 1.00 -0.28 N HETATM 662 H74 ALA A 35 5.064 -26.822 16.888 1.00 0.26 H HETATM 663 H75 ALA A 35 3.846 -25.782 17.673 1.00 0.26 H HETATM 664 NH2 ALA A 35 7.058 -25.781 18.013 1.00 -0.28 N HETATM 665 H76 ALA A 35 7.808 -25.291 18.520 1.00 0.26 H HETATM 666 H77 ALA A 35 7.290 -26.550 17.368 1.00 0.26 H HETATM 667 H73 ALA A 35 6.267 -23.968 19.521 1.00 0.26 H HETATM 668 H71 ALA A 35 3.427 -24.770 19.054 1.00 0.07 H HETATM 669 H72 ALA A 35 4.051 -23.693 20.351 1.00 0.07 H HETATM 670 H69 ALA A 35 4.443 -21.911 18.736 1.00 0.03 H HETATM 671 H70 ALA A 35 3.953 -22.987 17.384 1.00 0.03 H HETATM 672 H67 ALA A 35 1.700 -23.061 18.126 1.00 0.03 H HETATM 673 H68 ALA A 35 2.120 -22.340 19.716 1.00 0.03 H HETATM 674 H66 ALA A 35 2.348 -20.896 17.042 1.00 0.08 H HETATM 675 H65 ALA A 35 3.009 -20.098 19.786 1.00 0.19 H HETATM 676 CB ALA A 35 2.565 -17.252 20.229 1.00 -0.02 C HETATM 677 H62 ALA A 35 2.172 -18.130 20.764 1.00 0.03 H HETATM 678 H63 ALA A 35 1.745 -16.754 19.691 1.00 0.03 H HETATM 679 H64 ALA A 35 3.009 -16.551 20.951 1.00 0.03 H HETATM 680 H61 ALA A 35 4.452 -18.159 19.796 1.00 0.08 H HETATM 681 H60 ALA A 35 3.640 -15.683 18.535 1.00 0.19 H HETATM 682 CB ALA A 35 4.961 -15.106 15.867 1.00 0.09 C HETATM 683 OG1 ALA A 35 5.109 -16.257 15.024 1.00 -0.39 O HETATM 684 H56 ALA A 35 4.620 -16.125 14.221 1.00 0.21 H HETATM 685 CG2 ALA A 35 5.457 -13.866 15.133 1.00 -0.03 C HETATM 686 H57 ALA A 35 4.883 -13.736 14.204 1.00 0.03 H HETATM 687 H58 ALA A 35 6.524 -13.985 14.892 1.00 0.03 H HETATM 688 H59 ALA A 35 5.322 -12.982 15.774 1.00 0.03 H HETATM 689 H55 ALA A 35 3.897 -14.974 16.111 1.00 0.06 H HETATM 690 H54 ALA A 35 5.530 -14.466 17.847 1.00 0.08 H HETATM 691 H53 ALA A 35 7.539 -15.503 16.018 1.00 0.19 H HETATM 692 CB ALA A 35 10.234 -16.345 18.228 1.00 0.00 C HETATM 693 CG ALA A 35 9.654 -17.704 17.842 1.00 0.04 C HETATM 694 CD ALA A 35 10.186 -18.228 16.520 1.00 0.17 C HETATM 695 OE1 ALA A 35 11.306 -17.915 16.119 1.00 -0.40 O HETATM 696 NE2 ALA A 35 9.385 -19.038 15.840 1.00 -0.30 N HETATM 697 H51 ALA A 35 9.682 -19.414 14.962 1.00 0.18 H HETATM 698 H52 ALA A 35 8.484 -19.273 16.205 1.00 0.18 H HETATM 699 H49 ALA A 35 8.561 -17.609 17.766 1.00 0.05 H HETATM 700 H50 ALA A 35 9.905 -18.428 18.631 1.00 0.05 H HETATM 701 H47 ALA A 35 10.163 -16.239 19.321 1.00 0.03 H HETATM 702 H48 ALA A 35 11.291 -16.324 17.925 1.00 0.03 H HETATM 703 H46 ALA A 35 9.638 -15.223 16.493 1.00 0.08 H HETATM 704 H45 ALA A 35 10.037 -13.642 19.000 1.00 0.19 H HETATM 705 H29 ALA A 35 11.411 -11.861 18.852 1.00 0.08 H HETATM 706 H28 ALA A 35 12.545 -11.566 16.183 1.00 0.19 H HETATM 707 CB ALA A 35 15.272 -11.192 16.781 1.00 0.09 C HETATM 708 OG1 ALA A 35 15.518 -11.685 18.105 1.00 -0.39 O HETATM 709 H24 ALA A 35 16.072 -12.455 18.057 1.00 0.21 H HETATM 710 CG2 ALA A 35 16.597 -10.865 16.104 1.00 -0.03 C HETATM 711 H25 ALA A 35 17.221 -11.770 16.064 1.00 0.03 H HETATM 712 H26 ALA A 35 17.119 -10.084 16.677 1.00 0.03 H HETATM 713 H27 ALA A 35 16.408 -10.505 15.082 1.00 0.03 H HETATM 714 H23 ALA A 35 14.756 -11.969 16.198 1.00 0.06 H HETATM 715 H22 ALA A 35 14.080 -9.666 15.829 1.00 0.08 H HETATM 716 H21 ALA A 35 15.325 -8.836 18.409 1.00 0.19 H HETATM 717 CB ALA A 35 15.610 -5.293 17.137 1.00 -0.01 C HETATM 718 CG ALA A 35 14.201 -5.157 17.679 1.00 -0.02 C HETATM 719 CD ALA A 35 13.536 -3.869 17.252 1.00 0.06 C HETATM 720 NE ALA A 35 12.249 -3.707 17.920 1.00 -0.27 N HETATM 721 CZ ALA A 35 11.237 -2.993 17.440 1.00 0.29 C HETATM 722 NH1 ALA A 35 11.352 -2.371 16.274 1.00 -0.28 N HETATM 723 H17 ALA A 35 10.565 -1.818 15.905 1.00 0.26 H HETATM 724 H18 ALA A 35 12.228 -2.441 15.737 1.00 0.26 H HETATM 725 NH2 ALA A 35 10.107 -2.906 18.127 1.00 -0.28 N HETATM 726 H19 ALA A 35 10.016 -3.389 19.032 1.00 0.26 H HETATM 727 H20 ALA A 35 9.319 -2.356 17.755 1.00 0.26 H HETATM 728 H16 ALA A 35 12.116 -4.179 18.826 1.00 0.26 H HETATM 729 H14 ALA A 35 13.378 -3.888 16.164 1.00 0.07 H HETATM 730 H15 ALA A 35 14.188 -3.022 17.514 1.00 0.07 H HETATM 731 H12 ALA A 35 14.242 -5.185 18.778 1.00 0.03 H HETATM 732 H13 ALA A 35 13.600 -6.002 17.313 1.00 0.03 H HETATM 733 H10 ALA A 35 15.586 -5.143 16.048 1.00 0.03 H HETATM 734 H11 ALA A 35 16.243 -4.522 17.600 1.00 0.03 H HETATM 735 H9 ALA A 35 16.152 -6.844 18.515 1.00 0.08 H HETATM 736 H8 ALA A 35 17.956 -6.090 16.343 1.00 0.19 H HETATM 737 CB ALA A 35 19.908 -8.240 15.652 1.00 -0.00 C HETATM 738 H5 ALA A 35 19.239 -7.678 14.984 1.00 0.03 H HETATM 739 H6 ALA A 35 19.581 -9.289 15.700 1.00 0.03 H HETATM 740 H7 ALA A 35 20.936 -8.193 15.264 1.00 0.03 H HETATM 741 H4 ALA A 35 20.218 -6.590 16.986 1.00 0.11 H HETATM 742 H1 ALA A 35 21.681 -8.354 17.585 1.00 0.20 H HETATM 743 H2 ALA A 35 20.421 -9.309 18.042 1.00 0.20 H HETATM 744 H3 ALA A 35 20.736 -7.915 18.860 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 95 94 545 CONECT 113 112 545 CONECT 225 224 546 CONECT 250 249 546 CONECT 309 308 311 545 CONECT 337 336 545 CONECT 501 500 546 CONECT 523 522 546 CONECT 545 95 113 309 337 CONECT 546 225 250 501 523 CONECT 579 580 742 743 744 CONECT 580 579 581 737 741 CONECT 581 580 582 583 CONECT 582 581 CONECT 583 581 584 736 CONECT 584 583 585 717 735 CONECT 585 584 586 587 CONECT 586 585 CONECT 587 585 588 716 CONECT 588 587 589 707 715 CONECT 589 588 590 591 CONECT 590 589 CONECT 591 589 592 706 CONECT 592 591 593 615 705 CONECT 593 592 594 613 614 CONECT 594 593 595 611 612 CONECT 595 594 596 609 610 CONECT 596 595 597 607 608 CONECT 597 596 598 602 606 CONECT 598 597 599 600 601 CONECT 599 598 CONECT 600 598 CONECT 601 598 CONECT 602 597 603 604 605 CONECT 603 602 CONECT 604 602 CONECT 605 602 CONECT 606 597 CONECT 607 596 CONECT 608 596 CONECT 609 595 CONECT 610 595 CONECT 611 594 CONECT 612 594 CONECT 613 593 CONECT 614 593 CONECT 615 592 616 617 CONECT 616 615 CONECT 617 615 618 704 CONECT 618 617 619 692 703 CONECT 619 618 620 621 CONECT 620 619 CONECT 621 619 622 691 CONECT 622 621 623 682 690 CONECT 623 622 624 625 CONECT 624 623 CONECT 625 623 626 681 CONECT 626 625 627 676 680 CONECT 627 626 628 629 CONECT 628 627 CONECT 629 627 630 675 CONECT 630 629 631 656 674 CONECT 631 630 632 633 CONECT 632 631 CONECT 633 631 634 655 CONECT 634 633 635 638 654 CONECT 635 634 636 637 CONECT 636 635 CONECT 637 635 CONECT 638 634 639 652 653 CONECT 639 638 640 650 651 CONECT 640 639 641 648 649 CONECT 641 640 642 646 647 CONECT 642 641 643 644 645 CONECT 643 642 CONECT 644 642 CONECT 645 642 CONECT 646 641 CONECT 647 641 CONECT 648 640 CONECT 649 640 CONECT 650 639 CONECT 651 639 CONECT 652 638 CONECT 653 638 CONECT 654 634 CONECT 655 633 CONECT 656 630 657 672 673 CONECT 657 656 658 670 671 CONECT 658 657 659 668 669 CONECT 659 658 660 667 CONECT 660 659 661 664 CONECT 661 660 662 663 CONECT 662 661 CONECT 663 661 CONECT 664 660 665 666 CONECT 665 664 CONECT 666 664 CONECT 667 659 CONECT 668 658 CONECT 669 658 CONECT 670 657 CONECT 671 657 CONECT 672 656 CONECT 673 656 CONECT 674 630 CONECT 675 629 CONECT 676 626 677 678 679 CONECT 677 676 CONECT 678 676 CONECT 679 676 CONECT 680 626 CONECT 681 625 CONECT 682 622 683 685 689 CONECT 683 682 684 CONECT 684 683 CONECT 685 682 686 687 688 CONECT 686 685 CONECT 687 685 CONECT 688 685 CONECT 689 682 CONECT 690 622 CONECT 691 621 CONECT 692 618 693 701 702 CONECT 693 692 694 699 700 CONECT 694 693 695 696 CONECT 695 694 CONECT 696 694 697 698 CONECT 697 696 CONECT 698 696 CONECT 699 693 CONECT 700 693 CONECT 701 692 CONECT 702 692 CONECT 703 618 CONECT 704 617 CONECT 705 592 CONECT 706 591 CONECT 707 588 708 710 714 CONECT 708 707 709 CONECT 709 708 CONECT 710 707 711 712 713 CONECT 711 710 CONECT 712 710 CONECT 713 710 CONECT 714 707 CONECT 715 588 CONECT 716 587 CONECT 717 584 718 733 734 CONECT 718 717 719 731 732 CONECT 719 718 720 729 730 CONECT 720 719 721 728 CONECT 721 720 722 725 CONECT 722 721 723 724 CONECT 723 722 CONECT 724 722 CONECT 725 721 726 727 CONECT 726 725 CONECT 727 725 CONECT 728 720 CONECT 729 719 CONECT 730 719 CONECT 731 718 CONECT 732 718 CONECT 733 717 CONECT 734 717 CONECT 735 584 CONECT 736 583 CONECT 737 580 738 739 740 CONECT 738 737 CONECT 739 737 CONECT 740 737 CONECT 741 580 CONECT 742 579 CONECT 743 579 CONECT 744 579 MASTER 0 0 0 0 0 0 0 0 743 1 180 5 END
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Related entries of code: 5yc3
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5yc4
RCSB PDB
PDBbind
60aa, >5YC4_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1bmb
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PDBbind
9-mer
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PDBbind
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PDBbind
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1inq
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RCSB PDB
PDBbind
9-mer
1juf
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PDBbind
9-mer
1kl3
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PDBbind
9-mer
1kl5
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PDBbind
9-mer
1lb6
RCSB PDB
PDBbind
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1mfg
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PDBbind
9-mer
1mpa
RCSB PDB
PDBbind
9-mer
1nlo
RCSB PDB
PDBbind
9-mer
1oai
RCSB PDB
PDBbind
9-mer
1oxn
RCSB PDB
PDBbind
9-mer
1oxq
RCSB PDB
PDBbind
9-mer
1oy7
RCSB PDB
PDBbind
9-mer
1pcg
RCSB PDB
PDBbind
9-mer
1prl
RCSB PDB
PDBbind
9-mer
1prm
RCSB PDB
PDBbind
9-mer
1rlp
RCSB PDB
PDBbind
9-mer
1rlq
RCSB PDB
PDBbind
9-mer
1rst
RCSB PDB
PDBbind
9-mer
1utc
RCSB PDB
PDBbind
9-mer
1vwf
RCSB PDB
PDBbind
9-mer
1vwl
RCSB PDB
PDBbind
9-mer
1x7q
RCSB PDB
PDBbind
9-mer
1xr8
RCSB PDB
PDBbind
9-mer
1xr9
RCSB PDB
PDBbind
9-mer
1zea
RCSB PDB
PDBbind
9-mer
2bgn
RCSB PDB
PDBbind
9-mer
2bgr
RCSB PDB
PDBbind
9-mer
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RCSB PDB
PDBbind
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2gv2
RCSB PDB
PDBbind
9-mer
2h6q
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PDBbind
9-mer
2hkf
RCSB PDB
PDBbind
9-mer
2jo9
RCSB PDB
PDBbind
9-mer
2jup
RCSB PDB
PDBbind
9-mer
2kgi
RCSB PDB
PDBbind
9-mer
2khh
RCSB PDB
PDBbind
9-mer
2lnw
RCSB PDB
PDBbind
9-mer
2lsv
RCSB PDB
PDBbind
9-mer
2mpa
RCSB PDB
PDBbind
9-mer
2ms4
RCSB PDB
PDBbind
9-mer
2oei
RCSB PDB
PDBbind
9-mer
2oi9
RCSB PDB
PDBbind
9-mer
2q8y
RCSB PDB
PDBbind
9-mer
2qt5
RCSB PDB
PDBbind
9-mer
2rm0
RCSB PDB
PDBbind
9-mer
2v83
RCSB PDB
PDBbind
9-mer
2v86
RCSB PDB
PDBbind
9-mer
2vpe
RCSB PDB
PDBbind
9-mer
2w0z
RCSB PDB
PDBbind
9-mer
2x3t
RCSB PDB
PDBbind
9-mer
2x4o
RCSB PDB
PDBbind
9-mer
2x4r
RCSB PDB
PDBbind
9-mer
2x4s
RCSB PDB
PDBbind
9-mer
2x4t
RCSB PDB
PDBbind
9-mer
2x4u
RCSB PDB
PDBbind
9-mer
2xhs
RCSB PDB
PDBbind
9-mer
2ymt
RCSB PDB
PDBbind
9-mer
3ah8
RCSB PDB
PDBbind
9-mer
3bgm
RCSB PDB
PDBbind
9-mer
3bze
RCSB PDB
PDBbind
9-mer
3bzf
RCSB PDB
PDBbind
9-mer
3bzi
RCSB PDB
PDBbind
9-mer
3cii
RCSB PDB
PDBbind
9-mer
3cyy
RCSB PDB
PDBbind
9-mer
3d1f
RCSB PDB
PDBbind
9-mer
3d25
RCSB PDB
PDBbind
9-mer
3drg
RCSB PDB
PDBbind
9-mer
3ery
RCSB PDB
PDBbind
9-mer
3fbr
RCSB PDB
PDBbind
9-mer
3fn0
RCSB PDB
PDBbind
9-mer
3ft2
RCSB PDB
PDBbind
9-mer
3ft3
RCSB PDB
PDBbind
9-mer
3ft4
RCSB PDB
PDBbind
9-mer
3gl6
RCSB PDB
PDBbind
9-mer
3iet
RCSB PDB
PDBbind
9-mer
3k27
RCSB PDB
PDBbind
9-mer
3lqi
RCSB PDB
PDBbind
9-mer
3lqj
RCSB PDB
PDBbind
9-mer
3mxc
RCSB PDB
PDBbind
9-mer
3mxy
RCSB PDB
PDBbind
9-mer
3o4l
RCSB PDB
PDBbind
9-mer
3o6m
RCSB PDB
PDBbind
9-mer
3obq
RCSB PDB
PDBbind
9-mer
3obu
RCSB PDB
PDBbind
9-mer
3obx
RCSB PDB
PDBbind
9-mer
3qfd
RCSB PDB
PDBbind
9-mer
3r0h
RCSB PDB
PDBbind
9-mer
3r42
RCSB PDB
PDBbind
9-mer
3rwc
RCSB PDB
PDBbind
9-mer
3rwe
RCSB PDB
PDBbind
9-mer
3rwf
RCSB PDB
PDBbind
9-mer
3rwg
RCSB PDB
PDBbind
9-mer
3soq
RCSB PDB
PDBbind
9-mer
3sou
RCSB PDB
PDBbind
9-mer
3sov
RCSB PDB
PDBbind
9-mer
3sow
RCSB PDB
PDBbind
9-mer
3t5i
RCSB PDB
PDBbind
9-mer
3tf7
RCSB PDB
PDBbind
9-mer
3tfk
RCSB PDB
PDBbind
9-mer
3tjh
RCSB PDB
PDBbind
9-mer
3tpu
RCSB PDB
PDBbind
9-mer
3zhf
RCSB PDB
PDBbind
9-mer
4bt9
RCSB PDB
PDBbind
9-mer
4btb
RCSB PDB
PDBbind
9-mer
4cdr
RCSB PDB
PDBbind
9-mer
4ezq
RCSB PDB
PDBbind
9-mer
4ezt
RCSB PDB
PDBbind
9-mer
4fcm
RCSB PDB
PDBbind
9-mer
4fmn
RCSB PDB
PDBbind
9-mer
4i80
RCSB PDB
PDBbind
9-mer
4iho
RCSB PDB
PDBbind
9-mer
4j3u
RCSB PDB
PDBbind
9-mer
4mex
RCSB PDB
PDBbind
9-mer
4mnq
RCSB PDB
PDBbind
9-mer
4mzf
RCSB PDB
PDBbind
9-mer
4mzh
RCSB PDB
PDBbind
9-mer
4o2e
RCSB PDB
PDBbind
9-mer
4od7
RCSB PDB
PDBbind
9-mer
4pg9
RCSB PDB
PDBbind
9-mer
4pgb
RCSB PDB
PDBbind
9-mer
4pgc
RCSB PDB
PDBbind
9-mer
4pgd
RCSB PDB
PDBbind
9-mer
4pge
RCSB PDB
PDBbind
9-mer
4qbm
RCSB PDB
PDBbind
9-mer
4rh5
RCSB PDB
PDBbind
9-mer
4utn
RCSB PDB
PDBbind
9-mer
4utr
RCSB PDB
PDBbind
9-mer
4utv
RCSB PDB
PDBbind
9-mer
4utx
RCSB PDB
PDBbind
9-mer
4uu7
RCSB PDB
PDBbind
9-mer
4uu8
RCSB PDB
PDBbind
9-mer
4uua
RCSB PDB
PDBbind
9-mer
4uub
RCSB PDB
PDBbind
9-mer
4x3h
RCSB PDB
PDBbind
9-mer
4y5i
RCSB PDB
PDBbind
9-mer
4yoz
RCSB PDB
PDBbind
9-mer
5apr
RCSB PDB
PDBbind
9-mer
5brz
RCSB PDB
PDBbind
9-mer
5bs0
RCSB PDB
PDBbind
9-mer
5cvd
RCSB PDB
PDBbind
9-mer
5d0j
RCSB PDB
PDBbind
9-mer
5dms
RCSB PDB
PDBbind
9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
6a9c
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
5yc3
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD finger protein ALFIN-LIKE 3
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
2.6(Å)
Affinity (Kd/Ki/IC50)
Kd=14.2uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Cell Rep Vol. 22: pp. 1090-1102
Ligand Properties
Formula
C
4
5
H
9
1
N
1
8
O
1
3
Molecular Weight
1092.320
Exact Mass
1091.700
No. of atoms
167
No. of bonds
166
Polar Surface Area
545.39
LOGP Value
-4.22 (
Computed with XLOGP3
)
-7.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 48
No. of Nitrogen and Oxygen Atoms: 31
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH+](C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C45H86N18O13/c1-23(47)35(67)56-29(16-12-21-54-45(51)52)39(71)62-34(26(4)65)42(74)59-27(13-8-10-22-63(5)6)37(69)58-30(17-18-32(48)66)40(72)61-33(25(3)64)41(73)55-24(2)36(68)57-28(15-11-20-53-44(49)50)38(70)60-31(43(75)76)14-7-9-19-46/h23-31,33-34,64-65H,7-22,46-47H2,1-6H3,(H2,48,66)(H,55,73)(H,56,67)(H,57,68)(H,58,69)(H,59,74)(H,60,70)(H,61,72)(H,62,71)(H,75,76)(H4,49,50,53)(H4,51,52,54)/p+5/t23-,24-,25+,26+,27-,28-,29-,30-,31-,33-,34-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9M2B4
P59226
Entrez Gene ID
NCBI Entrez Gene ID:
823316
822357
830903
830904
836661
837440
ASD
Information of known allosteric effects of PDB entries
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