Browse entries in the PDBbind-CN Database
HEADER 2ODD_COMPLEX COMPND 2ODD_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 50 ASP SER SER GLU SER CYS TRP ASN CYS GLY ARG LYS ALA SEQRES 2 A 50 SER GLU THR CYS SER GLY CYS ASN THR ALA ARG TYR CYS SEQRES 3 A 50 GLY SER PHE CYS GLN HIS LYS ASP TRP GLU LYS HIS HIS SEQRES 4 A 50 HIS ILE CYS GLY GLN THR LEU GLN ALA GLN GLN HET ZN A 1 1 HET ZN A 2 1 HET THR A 53 196 ATOM 1 N ASP A 658 17.439 -6.136 -5.374 1.00 0.00 N ATOM 2 CA ASP A 658 16.371 -5.389 -4.719 1.00 0.00 C ATOM 3 C ASP A 658 15.115 -5.365 -5.583 1.00 0.00 C ATOM 4 O ASP A 658 15.167 -5.017 -6.763 1.00 0.00 O ATOM 5 CB ASP A 658 16.828 -3.960 -4.422 1.00 0.00 C ATOM 6 CG ASP A 658 15.942 -3.271 -3.403 1.00 0.00 C ATOM 7 OD1 ASP A 658 16.235 -3.378 -2.193 1.00 0.00 O ATOM 8 OD2 ASP A 658 14.956 -2.623 -3.814 1.00 0.00 O ATOM 9 HA ASP A 658 16.134 -5.890 -3.780 1.00 0.00 H ATOM 10 HB2 ASP A 658 17.847 -3.991 -4.037 1.00 0.00 H ATOM 11 HB3 ASP A 658 16.809 -3.386 -5.348 1.00 0.00 H ATOM 12 HN3 ASP A 658 17.667 -5.687 -6.284 1.00 0.00 H ATOM 13 HN2 ASP A 658 17.126 -7.114 -5.538 1.00 0.00 H ATOM 14 HN1 ASP A 658 18.283 -6.138 -4.766 1.00 0.00 H ATOM 15 N SER A 659 13.985 -5.737 -4.989 1.00 0.00 N ATOM 16 CA SER A 659 12.716 -5.757 -5.704 1.00 0.00 C ATOM 17 C SER A 659 11.556 -6.016 -4.748 1.00 0.00 C ATOM 18 O SER A 659 10.510 -5.373 -4.836 1.00 0.00 O ATOM 19 CB SER A 659 12.738 -6.828 -6.796 1.00 0.00 C ATOM 20 OG SER A 659 13.173 -6.288 -8.032 1.00 0.00 O ATOM 21 HA SER A 659 12.573 -4.780 -6.165 1.00 0.00 H ATOM 22 HB2 SER A 659 11.733 -7.233 -6.918 1.00 0.00 H ATOM 23 HB3 SER A 659 13.417 -7.627 -6.498 1.00 0.00 H ATOM 24 HG SER A 659 14.087 -5.923 -7.928 1.00 0.00 H ATOM 25 H SER A 659 14.008 -6.021 -3.989 1.00 0.00 H ATOM 26 N SER A 660 11.749 -6.960 -3.834 1.00 0.00 N ATOM 27 CA SER A 660 10.720 -7.304 -2.859 1.00 0.00 C ATOM 28 C SER A 660 10.966 -6.595 -1.533 1.00 0.00 C ATOM 29 O SER A 660 10.026 -6.252 -0.816 1.00 0.00 O ATOM 30 CB SER A 660 10.680 -8.817 -2.643 1.00 0.00 C ATOM 31 OG SER A 660 11.727 -9.239 -1.786 1.00 0.00 O ATOM 32 HA SER A 660 9.758 -6.974 -3.252 1.00 0.00 H ATOM 33 HB2 SER A 660 10.785 -9.317 -3.606 1.00 0.00 H ATOM 34 HB3 SER A 660 9.723 -9.088 -2.196 1.00 0.00 H ATOM 35 HG SER A 660 11.677 -10.220 -1.664 1.00 0.00 H ATOM 36 H SER A 660 12.657 -7.467 -3.813 1.00 0.00 H ATOM 37 N GLU A 661 12.238 -6.379 -1.210 1.00 0.00 N ATOM 38 CA GLU A 661 12.609 -5.711 0.032 1.00 0.00 C ATOM 39 C GLU A 661 12.766 -4.208 -0.184 1.00 0.00 C ATOM 40 O GLU A 661 13.847 -3.730 -0.528 1.00 0.00 O ATOM 41 CB GLU A 661 13.909 -6.300 0.583 1.00 0.00 C ATOM 42 CG GLU A 661 13.701 -7.218 1.777 1.00 0.00 C ATOM 43 CD GLU A 661 14.987 -7.880 2.233 1.00 0.00 C ATOM 44 OE1 GLU A 661 15.477 -8.780 1.520 1.00 0.00 O ATOM 45 OE2 GLU A 661 15.504 -7.497 3.304 1.00 0.00 O ATOM 46 HA GLU A 661 11.810 -5.873 0.756 1.00 0.00 H ATOM 47 HB2 GLU A 661 14.393 -6.870 -0.210 1.00 0.00 H ATOM 48 HB3 GLU A 661 14.558 -5.479 0.888 1.00 0.00 H ATOM 49 HG2 GLU A 661 13.298 -6.632 2.603 1.00 0.00 H ATOM 50 HG3 GLU A 661 12.987 -7.994 1.501 1.00 0.00 H ATOM 51 H GLU A 661 12.987 -6.694 -1.859 1.00 0.00 H ATOM 52 N SER A 662 11.680 -3.469 0.021 1.00 0.00 N ATOM 53 CA SER A 662 11.699 -2.021 -0.149 1.00 0.00 C ATOM 54 C SER A 662 10.373 -1.404 0.284 1.00 0.00 C ATOM 55 O SER A 662 9.303 -1.894 -0.074 1.00 0.00 O ATOM 56 CB SER A 662 11.994 -1.661 -1.606 1.00 0.00 C ATOM 57 OG SER A 662 11.624 -2.715 -2.478 1.00 0.00 O ATOM 58 HA SER A 662 12.489 -1.616 0.484 1.00 0.00 H ATOM 59 HB2 SER A 662 13.061 -1.466 -1.716 1.00 0.00 H ATOM 60 HB3 SER A 662 11.433 -0.765 -1.872 1.00 0.00 H ATOM 61 HG SER A 662 12.134 -3.530 -2.244 1.00 0.00 H ATOM 62 H SER A 662 10.796 -3.935 0.309 1.00 0.00 H ATOM 63 N CYS A 663 10.453 -0.326 1.058 1.00 0.00 N ATOM 64 CA CYS A 663 9.264 0.359 1.545 1.00 0.00 C ATOM 65 C CYS A 663 8.492 0.997 0.394 1.00 0.00 C ATOM 66 O CYS A 663 9.048 1.770 -0.385 1.00 0.00 O ATOM 67 CB CYS A 663 9.662 1.427 2.560 1.00 0.00 C ATOM 68 SG CYS A 663 8.328 1.948 3.662 1.00 0.00 S ATOM 69 HA CYS A 663 8.617 -0.375 2.025 1.00 0.00 H ATOM 70 HB2 CYS A 663 10.014 2.302 2.014 1.00 0.00 H ATOM 71 HB3 CYS A 663 10.473 1.031 3.171 1.00 0.00 H ATOM 72 HG CYS A 663 8.801 2.910 4.531 1.00 0.00 H ATOM 73 H CYS A 663 11.391 0.038 1.323 1.00 0.00 H ATOM 74 N TRP A 664 7.208 0.669 0.295 1.00 0.00 N ATOM 75 CA TRP A 664 6.361 1.213 -0.761 1.00 0.00 C ATOM 76 C TRP A 664 6.218 2.729 -0.639 1.00 0.00 C ATOM 77 O TRP A 664 5.876 3.411 -1.605 1.00 0.00 O ATOM 78 CB TRP A 664 4.976 0.562 -0.721 1.00 0.00 C ATOM 79 CG TRP A 664 4.966 -0.858 -1.200 1.00 0.00 C ATOM 80 CD1 TRP A 664 5.959 -1.783 -1.042 1.00 0.00 C ATOM 81 CD2 TRP A 664 3.912 -1.518 -1.915 1.00 0.00 C ATOM 82 NE1 TRP A 664 5.588 -2.975 -1.612 1.00 0.00 N ATOM 83 CE2 TRP A 664 4.336 -2.838 -2.155 1.00 0.00 C ATOM 84 CE3 TRP A 664 2.649 -1.123 -2.375 1.00 0.00 C ATOM 85 CZ2 TRP A 664 3.546 -3.764 -2.834 1.00 0.00 C ATOM 86 CZ3 TRP A 664 1.868 -2.043 -3.048 1.00 0.00 C ATOM 87 CH2 TRP A 664 2.317 -3.349 -3.271 1.00 0.00 C ATOM 88 HA TRP A 664 6.841 0.990 -1.714 1.00 0.00 H ATOM 89 HB2 TRP A 664 4.615 0.582 0.307 1.00 0.00 H ATOM 90 HB3 TRP A 664 4.303 1.143 -1.352 1.00 0.00 H ATOM 91 HE1 TRP A 664 6.163 -3.842 -1.629 1.00 0.00 H ATOM 92 HD1 TRP A 664 6.908 -1.601 -0.537 1.00 0.00 H ATOM 93 HZ2 TRP A 664 3.894 -4.782 -3.011 1.00 0.00 H ATOM 94 HH2 TRP A 664 1.675 -4.051 -3.804 1.00 0.00 H ATOM 95 HZ3 TRP A 664 0.884 -1.746 -3.412 1.00 0.00 H ATOM 96 HE3 TRP A 664 2.289 -0.108 -2.205 1.00 0.00 H ATOM 97 H TRP A 664 6.797 0.009 0.986 1.00 0.00 H ATOM 98 N ASN A 665 6.474 3.250 0.561 1.00 0.00 N ATOM 99 CA ASN A 665 6.366 4.682 0.822 1.00 0.00 C ATOM 100 C ASN A 665 7.741 5.352 0.830 1.00 0.00 C ATOM 101 O ASN A 665 8.026 6.215 -0.000 1.00 0.00 O ATOM 102 CB ASN A 665 5.661 4.910 2.165 1.00 0.00 C ATOM 103 CG ASN A 665 5.853 6.315 2.706 1.00 0.00 C ATOM 104 OD1 ASN A 665 5.410 7.291 2.104 1.00 0.00 O ATOM 105 ND2 ASN A 665 6.523 6.421 3.847 1.00 0.00 N ATOM 106 HA ASN A 665 5.780 5.132 0.021 1.00 0.00 H ATOM 107 HB2 ASN A 665 4.594 4.732 2.032 1.00 0.00 H ATOM 108 HB3 ASN A 665 6.059 4.201 2.891 1.00 0.00 H ATOM 109 HD22 ASN A 665 6.880 5.567 4.322 1.00 0.00 H ATOM 110 HD21 ASN A 665 6.691 7.358 4.266 1.00 0.00 H ATOM 111 H ASN A 665 6.759 2.617 1.335 1.00 0.00 H ATOM 112 N CYS A 666 8.584 4.958 1.781 1.00 0.00 N ATOM 113 CA CYS A 666 9.923 5.529 1.907 1.00 0.00 C ATOM 114 C CYS A 666 10.710 5.406 0.604 1.00 0.00 C ATOM 115 O CYS A 666 11.106 6.412 0.015 1.00 0.00 O ATOM 116 CB CYS A 666 10.688 4.853 3.046 1.00 0.00 C ATOM 117 SG CYS A 666 10.116 5.315 4.696 1.00 0.00 S ATOM 118 HA CYS A 666 9.808 6.589 2.133 1.00 0.00 H ATOM 119 HB2 CYS A 666 11.740 5.124 2.960 1.00 0.00 H ATOM 120 HB3 CYS A 666 10.582 3.774 2.937 1.00 0.00 H ATOM 121 HG CYS A 666 8.788 4.966 4.835 1.00 0.00 H ATOM 122 H CYS A 666 8.282 4.224 2.453 1.00 0.00 H ATOM 123 N GLY A 667 10.940 4.174 0.156 1.00 0.00 N ATOM 124 CA GLY A 667 11.683 3.963 -1.071 1.00 0.00 C ATOM 125 C GLY A 667 13.109 3.516 -0.814 1.00 0.00 C ATOM 126 O GLY A 667 13.987 3.706 -1.655 1.00 0.00 O ATOM 127 HA3 GLY A 667 11.704 4.897 -1.633 1.00 0.00 H ATOM 128 HA2 GLY A 667 11.177 3.198 -1.660 1.00 0.00 H ATOM 129 H GLY A 667 10.584 3.356 0.690 1.00 0.00 H ATOM 130 N ARG A 668 13.339 2.919 0.352 1.00 0.00 N ATOM 131 CA ARG A 668 14.667 2.443 0.719 1.00 0.00 C ATOM 132 C ARG A 668 14.621 0.977 1.140 1.00 0.00 C ATOM 133 O ARG A 668 15.186 0.112 0.470 1.00 0.00 O ATOM 134 CB ARG A 668 15.242 3.296 1.852 1.00 0.00 C ATOM 135 CG ARG A 668 16.254 4.329 1.382 1.00 0.00 C ATOM 136 CD ARG A 668 17.047 4.900 2.546 1.00 0.00 C ATOM 137 NE ARG A 668 17.872 3.886 3.197 1.00 0.00 N ATOM 138 CZ ARG A 668 18.897 4.166 4.001 1.00 0.00 C ATOM 139 NH1 ARG A 668 19.225 5.427 4.253 1.00 0.00 N ATOM 140 NH2 ARG A 668 19.594 3.183 4.552 1.00 0.00 N ATOM 141 HA ARG A 668 15.313 2.531 -0.154 1.00 0.00 H ATOM 142 HB2 ARG A 668 14.420 3.817 2.343 1.00 0.00 H ATOM 143 HB3 ARG A 668 15.731 2.635 2.568 1.00 0.00 H ATOM 144 HG2 ARG A 668 16.943 3.857 0.681 1.00 0.00 H ATOM 145 HG3 ARG A 668 15.726 5.140 0.881 1.00 0.00 H ATOM 146 HD2 ARG A 668 16.352 5.311 3.278 1.00 0.00 H ATOM 147 HD3 ARG A 668 17.694 5.695 2.175 1.00 0.00 H ATOM 148 HE ARG A 668 17.646 2.886 3.023 1.00 0.00 H ATOM 149 HH12 ARG A 668 20.026 5.640 4.881 1.00 0.00 H ATOM 150 HH11 ARG A 668 18.681 6.202 3.822 1.00 0.00 H ATOM 151 HH22 ARG A 668 20.394 3.401 5.180 1.00 0.00 H ATOM 152 HH21 ARG A 668 19.341 2.193 4.357 1.00 0.00 H ATOM 153 H ARG A 668 12.552 2.788 1.019 1.00 0.00 H ATOM 154 N LYS A 669 13.945 0.704 2.251 1.00 0.00 N ATOM 155 CA LYS A 669 13.827 -0.658 2.756 1.00 0.00 C ATOM 156 C LYS A 669 12.601 -0.808 3.655 1.00 0.00 C ATOM 157 O LYS A 669 12.163 0.152 4.291 1.00 0.00 O ATOM 158 CB LYS A 669 15.096 -1.056 3.518 1.00 0.00 C ATOM 159 CG LYS A 669 15.197 -0.445 4.907 1.00 0.00 C ATOM 160 CD LYS A 669 14.473 -1.293 5.943 1.00 0.00 C ATOM 161 CE LYS A 669 15.450 -2.036 6.841 1.00 0.00 C ATOM 162 NZ LYS A 669 15.076 -3.469 7.005 1.00 0.00 N ATOM 163 HA LYS A 669 13.704 -1.324 1.902 1.00 0.00 H ATOM 164 HB2 LYS A 669 15.111 -2.141 3.618 1.00 0.00 H ATOM 165 HB3 LYS A 669 15.961 -0.734 2.937 1.00 0.00 H ATOM 166 HG2 LYS A 669 16.248 -0.367 5.184 1.00 0.00 H ATOM 167 HG3 LYS A 669 14.752 0.550 4.890 1.00 0.00 H ATOM 168 HD2 LYS A 669 13.850 -0.644 6.558 1.00 0.00 H ATOM 169 HD3 LYS A 669 13.843 -2.019 5.429 1.00 0.00 H ATOM 170 HE2 LYS A 669 15.460 -1.560 7.821 1.00 0.00 H ATOM 171 HE3 LYS A 669 16.446 -1.980 6.401 1.00 0.00 H ATOM 172 HZ1 LYS A 669 14.129 -3.532 7.431 1.00 0.00 H ATOM 173 HZ2 LYS A 669 15.071 -3.933 6.074 1.00 0.00 H ATOM 174 HZ3 LYS A 669 15.768 -3.938 7.624 1.00 0.00 H ATOM 175 H LYS A 669 13.490 1.480 2.772 1.00 0.00 H ATOM 176 N ALA A 670 12.058 -2.019 3.704 1.00 0.00 N ATOM 177 CA ALA A 670 10.886 -2.303 4.525 1.00 0.00 C ATOM 178 C ALA A 670 10.992 -3.678 5.178 1.00 0.00 C ATOM 179 O ALA A 670 11.505 -4.622 4.578 1.00 0.00 O ATOM 180 CB ALA A 670 9.620 -2.208 3.687 1.00 0.00 C ATOM 181 HA ALA A 670 10.839 -1.557 5.319 1.00 0.00 H ATOM 182 HB1 ALA A 670 9.532 -1.202 3.276 1.00 0.00 H ATOM 183 HB2 ALA A 670 9.669 -2.931 2.873 1.00 0.00 H ATOM 184 HB3 ALA A 670 8.754 -2.422 4.313 1.00 0.00 H ATOM 185 H ALA A 670 12.480 -2.786 3.142 1.00 0.00 H ATOM 186 N SER A 671 10.512 -3.783 6.416 1.00 0.00 N ATOM 187 CA SER A 671 10.562 -5.042 7.155 1.00 0.00 C ATOM 188 C SER A 671 9.164 -5.529 7.537 1.00 0.00 C ATOM 189 O SER A 671 9.009 -6.632 8.062 1.00 0.00 O ATOM 190 CB SER A 671 11.416 -4.881 8.413 1.00 0.00 C ATOM 191 OG SER A 671 11.035 -3.729 9.146 1.00 0.00 O ATOM 192 HA SER A 671 11.012 -5.790 6.502 1.00 0.00 H ATOM 193 HB2 SER A 671 12.463 -4.789 8.123 1.00 0.00 H ATOM 194 HB3 SER A 671 11.291 -5.761 9.043 1.00 0.00 H ATOM 195 HG SER A 671 11.603 -3.650 9.953 1.00 0.00 H ATOM 196 H SER A 671 10.091 -2.947 6.868 1.00 0.00 H ATOM 197 N GLU A 672 8.147 -4.711 7.271 1.00 0.00 N ATOM 198 CA GLU A 672 6.772 -5.084 7.592 1.00 0.00 C ATOM 199 C GLU A 672 5.986 -5.359 6.316 1.00 0.00 C ATOM 200 O GLU A 672 6.358 -4.905 5.235 1.00 0.00 O ATOM 201 CB GLU A 672 6.079 -3.984 8.407 1.00 0.00 C ATOM 202 CG GLU A 672 6.992 -3.276 9.398 1.00 0.00 C ATOM 203 CD GLU A 672 7.023 -3.957 10.752 1.00 0.00 C ATOM 204 OE1 GLU A 672 6.063 -4.692 11.068 1.00 0.00 O ATOM 205 OE2 GLU A 672 8.004 -3.755 11.497 1.00 0.00 O ATOM 206 HA GLU A 672 6.802 -5.992 8.195 1.00 0.00 H ATOM 207 HB2 GLU A 672 5.684 -3.241 7.714 1.00 0.00 H ATOM 208 HB3 GLU A 672 5.256 -4.435 8.961 1.00 0.00 H ATOM 209 HG2 GLU A 672 8.003 -3.260 8.992 1.00 0.00 H ATOM 210 HG3 GLU A 672 6.639 -2.253 9.529 1.00 0.00 H ATOM 211 H GLU A 672 8.336 -3.790 6.827 1.00 0.00 H ATOM 212 N THR A 673 4.909 -6.123 6.448 1.00 0.00 N ATOM 213 CA THR A 673 4.083 -6.482 5.302 1.00 0.00 C ATOM 214 C THR A 673 2.599 -6.266 5.592 1.00 0.00 C ATOM 215 O THR A 673 2.116 -6.560 6.682 1.00 0.00 O ATOM 216 CB THR A 673 4.341 -7.942 4.907 1.00 0.00 C ATOM 217 OG1 THR A 673 5.668 -8.103 4.438 1.00 0.00 O ATOM 218 CG2 THR A 673 3.410 -8.451 3.825 1.00 0.00 C ATOM 219 HA THR A 673 4.356 -5.831 4.472 1.00 0.00 H ATOM 220 HB THR A 673 4.163 -8.520 5.814 1.00 0.00 H ATOM 221 HG1 THR A 673 5.816 -9.049 4.188 1.00 0.00 H ATOM 222 HG23 THR A 673 2.377 -8.341 4.155 1.00 0.00 H ATOM 223 HG21 THR A 673 3.565 -7.874 2.913 1.00 0.00 H ATOM 224 HG22 THR A 673 3.621 -9.503 3.631 1.00 0.00 H ATOM 225 H THR A 673 4.648 -6.474 7.392 1.00 0.00 H ATOM 226 N CYS A 674 1.883 -5.750 4.602 1.00 0.00 N ATOM 227 CA CYS A 674 0.454 -5.501 4.745 1.00 0.00 C ATOM 228 C CYS A 674 -0.307 -6.823 4.829 1.00 0.00 C ATOM 229 O CYS A 674 -0.463 -7.526 3.832 1.00 0.00 O ATOM 230 CB CYS A 674 -0.049 -4.671 3.562 1.00 0.00 C ATOM 231 SG CYS A 674 -1.833 -4.389 3.549 1.00 0.00 S ATOM 232 HA CYS A 674 0.281 -4.944 5.666 1.00 0.00 H ATOM 233 HB2 CYS A 674 0.221 -5.190 2.642 1.00 0.00 H ATOM 234 HB3 CYS A 674 0.449 -3.702 3.590 1.00 0.00 H ATOM 235 HG CYS A 674 -2.170 -3.634 2.444 1.00 0.00 H ATOM 236 H CYS A 674 2.352 -5.518 3.703 1.00 0.00 H ATOM 237 N SER A 675 -0.769 -7.158 6.032 1.00 0.00 N ATOM 238 CA SER A 675 -1.503 -8.400 6.258 1.00 0.00 C ATOM 239 C SER A 675 -2.854 -8.411 5.541 1.00 0.00 C ATOM 240 O SER A 675 -3.516 -9.447 5.474 1.00 0.00 O ATOM 241 CB SER A 675 -1.711 -8.623 7.757 1.00 0.00 C ATOM 242 OG SER A 675 -2.779 -7.829 8.247 1.00 0.00 O ATOM 243 HA SER A 675 -0.903 -9.210 5.844 1.00 0.00 H ATOM 244 HB2 SER A 675 -0.797 -8.357 8.287 1.00 0.00 H ATOM 245 HB3 SER A 675 -1.939 -9.674 7.933 1.00 0.00 H ATOM 246 HG SER A 675 -2.575 -6.872 8.094 1.00 0.00 H ATOM 247 H SER A 675 -0.602 -6.517 6.834 1.00 0.00 H ATOM 248 N GLY A 676 -3.260 -7.264 5.004 1.00 0.00 N ATOM 249 CA GLY A 676 -4.530 -7.188 4.303 1.00 0.00 C ATOM 250 C GLY A 676 -4.465 -7.819 2.926 1.00 0.00 C ATOM 251 O GLY A 676 -5.295 -8.658 2.582 1.00 0.00 O ATOM 252 HA3 GLY A 676 -4.810 -6.140 4.196 1.00 0.00 H ATOM 253 HA2 GLY A 676 -5.287 -7.706 4.891 1.00 0.00 H ATOM 254 H GLY A 676 -2.664 -6.416 5.087 1.00 0.00 H ATOM 255 N CYS A 677 -3.471 -7.423 2.139 1.00 0.00 N ATOM 256 CA CYS A 677 -3.298 -7.966 0.798 1.00 0.00 C ATOM 257 C CYS A 677 -2.076 -8.883 0.728 1.00 0.00 C ATOM 258 O CYS A 677 -1.882 -9.598 -0.255 1.00 0.00 O ATOM 259 CB CYS A 677 -3.160 -6.834 -0.222 1.00 0.00 C ATOM 260 SG CYS A 677 -1.811 -5.685 0.131 1.00 0.00 S ATOM 261 HA CYS A 677 -4.183 -8.555 0.559 1.00 0.00 H ATOM 262 HB2 CYS A 677 -4.094 -6.272 -0.239 1.00 0.00 H ATOM 263 HB3 CYS A 677 -2.986 -7.276 -1.203 1.00 0.00 H ATOM 264 HG CYS A 677 -2.018 -5.100 1.364 1.00 0.00 H ATOM 265 H CYS A 677 -2.801 -6.709 2.488 1.00 0.00 H ATOM 266 N ASN A 678 -1.249 -8.853 1.775 1.00 0.00 N ATOM 267 CA ASN A 678 -0.046 -9.677 1.827 1.00 0.00 C ATOM 268 C ASN A 678 0.891 -9.348 0.667 1.00 0.00 C ATOM 269 O ASN A 678 1.704 -10.179 0.259 1.00 0.00 O ATOM 270 CB ASN A 678 -0.418 -11.162 1.794 1.00 0.00 C ATOM 271 CG ASN A 678 -0.248 -11.830 3.144 1.00 0.00 C ATOM 272 OD1 ASN A 678 -1.224 -12.206 3.791 1.00 0.00 O ATOM 273 ND2 ASN A 678 1.000 -11.982 3.575 1.00 0.00 N ATOM 274 HA ASN A 678 0.473 -9.460 2.761 1.00 0.00 H ATOM 275 HB2 ASN A 678 -1.459 -11.256 1.485 1.00 0.00 H ATOM 276 HB3 ASN A 678 0.221 -11.667 1.070 1.00 0.00 H ATOM 277 HD22 ASN A 678 1.795 -11.648 2.994 1.00 0.00 H ATOM 278 HD21 ASN A 678 1.181 -12.435 4.494 1.00 0.00 H ATOM 279 H ASN A 678 -1.468 -8.226 2.575 1.00 0.00 H ATOM 280 N THR A 679 0.760 -8.140 0.128 1.00 0.00 N ATOM 281 CA THR A 679 1.585 -7.716 -0.999 1.00 0.00 C ATOM 282 C THR A 679 2.379 -6.451 -0.682 1.00 0.00 C ATOM 283 O THR A 679 3.521 -6.296 -1.115 1.00 0.00 O ATOM 284 CB THR A 679 0.705 -7.480 -2.227 1.00 0.00 C ATOM 285 OG1 THR A 679 0.026 -8.669 -2.592 1.00 0.00 O ATOM 286 CG2 THR A 679 1.473 -7.000 -3.439 1.00 0.00 C ATOM 287 HA THR A 679 2.300 -8.513 -1.202 1.00 0.00 H ATOM 288 HB THR A 679 0.006 -6.698 -1.931 1.00 0.00 H ATOM 289 HG1 THR A 679 -0.546 -8.965 -1.840 1.00 0.00 H ATOM 290 HG23 THR A 679 2.008 -6.084 -3.189 1.00 0.00 H ATOM 291 HG21 THR A 679 2.186 -7.767 -3.743 1.00 0.00 H ATOM 292 HG22 THR A 679 0.777 -6.805 -4.255 1.00 0.00 H ATOM 293 H THR A 679 0.054 -7.483 0.518 1.00 0.00 H ATOM 294 N ALA A 680 1.760 -5.546 0.065 1.00 0.00 N ATOM 295 CA ALA A 680 2.400 -4.287 0.430 1.00 0.00 C ATOM 296 C ALA A 680 3.473 -4.486 1.494 1.00 0.00 C ATOM 297 O ALA A 680 3.432 -5.443 2.267 1.00 0.00 O ATOM 298 CB ALA A 680 1.359 -3.291 0.916 1.00 0.00 C ATOM 299 HA ALA A 680 2.887 -3.893 -0.462 1.00 0.00 H ATOM 300 HB1 ALA A 680 0.635 -3.107 0.122 1.00 0.00 H ATOM 301 HB2 ALA A 680 0.848 -3.698 1.788 1.00 0.00 H ATOM 302 HB3 ALA A 680 1.850 -2.356 1.185 1.00 0.00 H ATOM 303 H ALA A 680 0.794 -5.739 0.399 1.00 0.00 H ATOM 304 N ARG A 681 4.429 -3.562 1.530 1.00 0.00 N ATOM 305 CA ARG A 681 5.515 -3.616 2.500 1.00 0.00 C ATOM 306 C ARG A 681 5.803 -2.225 3.057 1.00 0.00 C ATOM 307 O ARG A 681 5.757 -1.234 2.327 1.00 0.00 O ATOM 308 CB ARG A 681 6.777 -4.188 1.850 1.00 0.00 C ATOM 309 CG ARG A 681 6.650 -5.652 1.460 1.00 0.00 C ATOM 310 CD ARG A 681 7.208 -6.566 2.539 1.00 0.00 C ATOM 311 NE ARG A 681 8.651 -6.751 2.411 1.00 0.00 N ATOM 312 CZ ARG A 681 9.217 -7.619 1.576 1.00 0.00 C ATOM 313 NH1 ARG A 681 8.467 -8.382 0.790 1.00 0.00 N ATOM 314 NH2 ARG A 681 10.537 -7.725 1.525 1.00 0.00 N ATOM 315 HA ARG A 681 5.212 -4.266 3.320 1.00 0.00 H ATOM 316 HB2 ARG A 681 6.995 -3.610 0.952 1.00 0.00 H ATOM 317 HB3 ARG A 681 7.603 -4.089 2.554 1.00 0.00 H ATOM 318 HG2 ARG A 681 5.597 -5.888 1.305 1.00 0.00 H ATOM 319 HG3 ARG A 681 7.199 -5.821 0.533 1.00 0.00 H ATOM 320 HD2 ARG A 681 6.721 -7.538 2.463 1.00 0.00 H ATOM 321 HD3 ARG A 681 6.995 -6.129 3.515 1.00 0.00 H ATOM 322 HE ARG A 681 9.273 -6.170 3.008 1.00 0.00 H ATOM 323 HH12 ARG A 681 8.916 -9.058 0.140 1.00 0.00 H ATOM 324 HH11 ARG A 681 7.431 -8.303 0.824 1.00 0.00 H ATOM 325 HH22 ARG A 681 10.979 -8.403 0.872 1.00 0.00 H ATOM 326 HH21 ARG A 681 11.131 -7.130 2.137 1.00 0.00 H ATOM 327 H ARG A 681 4.401 -2.779 0.846 1.00 0.00 H ATOM 328 N TYR A 682 6.104 -2.154 4.349 1.00 0.00 N ATOM 329 CA TYR A 682 6.402 -0.881 4.996 1.00 0.00 C ATOM 330 C TYR A 682 7.332 -1.090 6.187 1.00 0.00 C ATOM 331 O TYR A 682 7.290 -2.130 6.840 1.00 0.00 O ATOM 332 CB TYR A 682 5.110 -0.200 5.449 1.00 0.00 C ATOM 333 CG TYR A 682 4.237 0.259 4.304 1.00 0.00 C ATOM 334 CD1 TYR A 682 4.514 1.437 3.623 1.00 0.00 C ATOM 335 CD2 TYR A 682 3.135 -0.487 3.901 1.00 0.00 C ATOM 336 CE1 TYR A 682 3.720 1.861 2.574 1.00 0.00 C ATOM 337 CE2 TYR A 682 2.336 -0.071 2.853 1.00 0.00 C ATOM 338 CZ TYR A 682 2.633 1.103 2.193 1.00 0.00 C ATOM 339 OH TYR A 682 1.840 1.521 1.148 1.00 0.00 O ATOM 340 HA TYR A 682 6.903 -0.237 4.273 1.00 0.00 H ATOM 341 HB3 TYR A 682 5.371 0.668 6.054 1.00 0.00 H ATOM 342 HB2 TYR A 682 4.542 -0.906 6.055 1.00 0.00 H ATOM 343 HD2 TYR A 682 2.897 -1.415 4.420 1.00 0.00 H ATOM 344 HE2 TYR A 682 1.476 -0.668 2.550 1.00 0.00 H ATOM 345 HE1 TYR A 682 3.952 2.789 2.051 1.00 0.00 H ATOM 346 HD1 TYR A 682 5.373 2.038 3.921 1.00 0.00 H ATOM 347 HH TYR A 682 2.191 2.375 0.790 1.00 0.00 H ATOM 348 H TYR A 682 6.128 -3.027 4.913 1.00 0.00 H ATOM 349 N CYS A 683 8.176 -0.104 6.463 1.00 0.00 N ATOM 350 CA CYS A 683 9.112 -0.199 7.574 1.00 0.00 C ATOM 351 C CYS A 683 8.536 0.425 8.845 1.00 0.00 C ATOM 352 O CYS A 683 9.021 0.157 9.945 1.00 0.00 O ATOM 353 CB CYS A 683 10.446 0.463 7.213 1.00 0.00 C ATOM 354 SG CYS A 683 10.380 2.262 7.073 1.00 0.00 S ATOM 355 HA CYS A 683 9.286 -1.257 7.769 1.00 0.00 H ATOM 356 HB2 CYS A 683 10.778 0.059 6.257 1.00 0.00 H ATOM 357 HB3 CYS A 683 11.172 0.208 7.985 1.00 0.00 H ATOM 358 HG CYS A 683 9.479 2.612 6.088 1.00 0.00 H ATOM 359 H CYS A 683 8.169 0.753 5.874 1.00 0.00 H ATOM 360 N GLY A 684 7.504 1.258 8.700 1.00 0.00 N ATOM 361 CA GLY A 684 6.907 1.889 9.862 1.00 0.00 C ATOM 362 C GLY A 684 5.430 2.186 9.682 1.00 0.00 C ATOM 363 O GLY A 684 4.967 2.422 8.568 1.00 0.00 O ATOM 364 HA3 GLY A 684 7.429 2.826 10.055 1.00 0.00 H ATOM 365 HA2 GLY A 684 7.026 1.225 10.718 1.00 0.00 H ATOM 366 H GLY A 684 7.126 1.456 7.751 1.00 0.00 H ATOM 367 N SER A 685 4.691 2.167 10.789 1.00 0.00 N ATOM 368 CA SER A 685 3.253 2.429 10.765 1.00 0.00 C ATOM 369 C SER A 685 2.929 3.703 9.990 1.00 0.00 C ATOM 370 O SER A 685 1.875 3.804 9.361 1.00 0.00 O ATOM 371 CB SER A 685 2.713 2.539 12.192 1.00 0.00 C ATOM 372 OG SER A 685 3.697 3.055 13.072 1.00 0.00 O ATOM 373 HA SER A 685 2.772 1.593 10.258 1.00 0.00 H ATOM 374 HB2 SER A 685 2.411 1.550 12.536 1.00 0.00 H ATOM 375 HB3 SER A 685 1.849 3.203 12.196 1.00 0.00 H ATOM 376 HG SER A 685 3.322 3.115 13.986 1.00 0.00 H ATOM 377 H SER A 685 5.151 1.959 11.699 1.00 0.00 H ATOM 378 N PHE A 686 3.834 4.675 10.035 1.00 0.00 N ATOM 379 CA PHE A 686 3.627 5.935 9.330 1.00 0.00 C ATOM 380 C PHE A 686 3.781 5.740 7.825 1.00 0.00 C ATOM 381 O PHE A 686 3.085 6.376 7.033 1.00 0.00 O ATOM 382 CB PHE A 686 4.603 7.003 9.832 1.00 0.00 C ATOM 383 CG PHE A 686 6.047 6.691 9.554 1.00 0.00 C ATOM 384 CD1 PHE A 686 6.762 5.849 10.390 1.00 0.00 C ATOM 385 CD2 PHE A 686 6.690 7.246 8.459 1.00 0.00 C ATOM 386 CE1 PHE A 686 8.091 5.565 10.140 1.00 0.00 C ATOM 387 CE2 PHE A 686 8.019 6.965 8.202 1.00 0.00 C ATOM 388 CZ PHE A 686 8.720 6.124 9.043 1.00 0.00 C ATOM 389 HA PHE A 686 2.611 6.275 9.533 1.00 0.00 H ATOM 390 HB2 PHE A 686 4.357 7.948 9.347 1.00 0.00 H ATOM 391 HB3 PHE A 686 4.475 7.105 10.910 1.00 0.00 H ATOM 392 HD2 PHE A 686 6.142 7.912 7.793 1.00 0.00 H ATOM 393 HE2 PHE A 686 8.513 7.407 7.337 1.00 0.00 H ATOM 394 HZ PHE A 686 9.768 5.901 8.842 1.00 0.00 H ATOM 395 HE1 PHE A 686 8.642 4.902 10.806 1.00 0.00 H ATOM 396 HD1 PHE A 686 6.270 5.405 11.256 1.00 0.00 H ATOM 397 H PHE A 686 4.706 4.535 10.583 1.00 0.00 H ATOM 398 N CYS A 687 4.700 4.864 7.435 1.00 0.00 N ATOM 399 CA CYS A 687 4.951 4.596 6.024 1.00 0.00 C ATOM 400 C CYS A 687 3.725 4.000 5.344 1.00 0.00 C ATOM 401 O CYS A 687 3.381 4.380 4.225 1.00 0.00 O ATOM 402 CB CYS A 687 6.139 3.651 5.873 1.00 0.00 C ATOM 403 SG CYS A 687 7.612 4.183 6.772 1.00 0.00 S ATOM 404 HA CYS A 687 5.179 5.545 5.539 1.00 0.00 H ATOM 405 HB2 CYS A 687 6.389 3.579 4.815 1.00 0.00 H ATOM 406 HB3 CYS A 687 5.846 2.668 6.243 1.00 0.00 H ATOM 407 HG CYS A 687 8.626 3.268 6.574 1.00 0.00 H ATOM 408 H CYS A 687 5.254 4.357 8.154 1.00 0.00 H ATOM 409 N GLN A 688 3.071 3.063 6.019 1.00 0.00 N ATOM 410 CA GLN A 688 1.889 2.421 5.463 1.00 0.00 C ATOM 411 C GLN A 688 0.752 3.426 5.296 1.00 0.00 C ATOM 412 O GLN A 688 0.006 3.370 4.318 1.00 0.00 O ATOM 413 CB GLN A 688 1.453 1.238 6.332 1.00 0.00 C ATOM 414 CG GLN A 688 0.905 1.625 7.697 1.00 0.00 C ATOM 415 CD GLN A 688 -0.484 1.071 7.942 1.00 0.00 C ATOM 416 OE1 GLN A 688 -1.329 1.729 8.546 1.00 0.00 O ATOM 417 NE2 GLN A 688 -0.724 -0.150 7.476 1.00 0.00 N ATOM 418 HA GLN A 688 2.145 2.037 4.475 1.00 0.00 H ATOM 419 HB2 GLN A 688 0.678 0.690 5.797 1.00 0.00 H ATOM 420 HB3 GLN A 688 2.316 0.590 6.483 1.00 0.00 H ATOM 421 HG2 GLN A 688 1.576 1.240 8.465 1.00 0.00 H ATOM 422 HG3 GLN A 688 0.865 2.712 7.763 1.00 0.00 H ATOM 423 HE22 GLN A 688 0.022 -0.670 6.971 1.00 0.00 H ATOM 424 HE21 GLN A 688 -1.658 -0.586 7.617 1.00 0.00 H ATOM 425 H GLN A 688 3.409 2.783 6.962 1.00 0.00 H ATOM 426 N HIS A 689 0.625 4.347 6.248 1.00 0.00 N ATOM 427 CA HIS A 689 -0.419 5.365 6.198 1.00 0.00 C ATOM 428 C HIS A 689 -0.152 6.381 5.091 1.00 0.00 C ATOM 429 O HIS A 689 -1.078 6.849 4.428 1.00 0.00 O ATOM 430 CB HIS A 689 -0.527 6.079 7.545 1.00 0.00 C ATOM 431 CG HIS A 689 -1.531 5.462 8.465 1.00 0.00 C ATOM 432 ND1 HIS A 689 -1.937 6.049 9.644 1.00 0.00 N ATOM 433 CD2 HIS A 689 -2.214 4.298 8.371 1.00 0.00 C ATOM 434 CE1 HIS A 689 -2.827 5.271 10.236 1.00 0.00 C ATOM 435 NE2 HIS A 689 -3.013 4.203 9.483 1.00 0.00 N ATOM 436 HA HIS A 689 -1.362 4.864 5.979 1.00 0.00 H ATOM 437 HB2 HIS A 689 0.449 6.052 8.030 1.00 0.00 H ATOM 438 HB3 HIS A 689 -0.814 7.115 7.365 1.00 0.00 H ATOM 439 HD2 HIS A 689 -2.143 3.571 7.562 1.00 0.00 H ATOM 440 HE1 HIS A 689 -3.323 5.477 11.185 1.00 0.00 H ATOM 441 H HIS A 689 1.288 4.341 7.049 1.00 0.00 H ATOM 442 N LYS A 690 1.118 6.725 4.903 1.00 0.00 N ATOM 443 CA LYS A 690 1.508 7.694 3.881 1.00 0.00 C ATOM 444 C LYS A 690 1.040 7.253 2.498 1.00 0.00 C ATOM 445 O LYS A 690 0.384 8.008 1.780 1.00 0.00 O ATOM 446 CB LYS A 690 3.027 7.877 3.883 1.00 0.00 C ATOM 447 CG LYS A 690 3.477 9.267 3.461 1.00 0.00 C ATOM 448 CD LYS A 690 2.908 9.655 2.105 1.00 0.00 C ATOM 449 CE LYS A 690 3.351 8.693 1.013 1.00 0.00 C ATOM 450 NZ LYS A 690 2.621 8.926 -0.264 1.00 0.00 N ATOM 451 HA LYS A 690 1.029 8.645 4.116 1.00 0.00 H ATOM 452 HB2 LYS A 690 3.395 7.687 4.891 1.00 0.00 H ATOM 453 HB3 LYS A 690 3.462 7.151 3.196 1.00 0.00 H ATOM 454 HG2 LYS A 690 3.140 9.989 4.205 1.00 0.00 H ATOM 455 HG3 LYS A 690 4.565 9.285 3.406 1.00 0.00 H ATOM 456 HD2 LYS A 690 1.820 9.647 2.163 1.00 0.00 H ATOM 457 HD3 LYS A 690 3.250 10.659 1.852 1.00 0.00 H ATOM 458 HE2 LYS A 690 3.163 7.672 1.345 1.00 0.00 H ATOM 459 HE3 LYS A 690 4.419 8.826 0.838 1.00 0.00 H ATOM 460 HZ1 LYS A 690 1.601 8.794 -0.108 1.00 0.00 H ATOM 461 HZ2 LYS A 690 2.800 9.896 -0.592 1.00 0.00 H ATOM 462 HZ3 LYS A 690 2.953 8.249 -0.980 1.00 0.00 H ATOM 463 H LYS A 690 1.853 6.293 5.499 1.00 0.00 H ATOM 464 N ASP A 691 1.381 6.022 2.137 1.00 0.00 N ATOM 465 CA ASP A 691 0.992 5.474 0.844 1.00 0.00 C ATOM 466 C ASP A 691 -0.413 4.876 0.899 1.00 0.00 C ATOM 467 O ASP A 691 -0.985 4.525 -0.132 1.00 0.00 O ATOM 468 CB ASP A 691 1.993 4.407 0.395 1.00 0.00 C ATOM 469 CG ASP A 691 3.131 4.986 -0.422 1.00 0.00 C ATOM 470 OD1 ASP A 691 3.717 6.000 0.011 1.00 0.00 O ATOM 471 OD2 ASP A 691 3.435 4.426 -1.496 1.00 0.00 O ATOM 472 HA ASP A 691 0.990 6.291 0.122 1.00 0.00 H ATOM 473 HB2 ASP A 691 2.408 3.923 1.279 1.00 0.00 H ATOM 474 HB3 ASP A 691 1.468 3.668 -0.210 1.00 0.00 H ATOM 475 H ASP A 691 1.938 5.436 2.791 1.00 0.00 H ATOM 476 N TRP A 692 -0.960 4.751 2.109 1.00 0.00 N ATOM 477 CA TRP A 692 -2.294 4.185 2.297 1.00 0.00 C ATOM 478 C TRP A 692 -3.297 4.748 1.293 1.00 0.00 C ATOM 479 O TRP A 692 -4.082 4.000 0.711 1.00 0.00 O ATOM 480 CB TRP A 692 -2.784 4.440 3.726 1.00 0.00 C ATOM 481 CG TRP A 692 -4.139 3.864 4.008 1.00 0.00 C ATOM 482 CD1 TRP A 692 -5.160 4.469 4.686 1.00 0.00 C ATOM 483 CD2 TRP A 692 -4.624 2.570 3.626 1.00 0.00 C ATOM 484 NE1 TRP A 692 -6.248 3.631 4.747 1.00 0.00 N ATOM 485 CE2 TRP A 692 -5.944 2.462 4.102 1.00 0.00 C ATOM 486 CE3 TRP A 692 -4.072 1.492 2.925 1.00 0.00 C ATOM 487 CZ2 TRP A 692 -6.719 1.322 3.901 1.00 0.00 C ATOM 488 CZ3 TRP A 692 -4.842 0.362 2.727 1.00 0.00 C ATOM 489 CH2 TRP A 692 -6.152 0.285 3.211 1.00 0.00 C ATOM 490 HA TRP A 692 -2.220 3.111 2.126 1.00 0.00 H ATOM 491 HB2 TRP A 692 -2.070 3.997 4.420 1.00 0.00 H ATOM 492 HB3 TRP A 692 -2.826 5.517 3.889 1.00 0.00 H ATOM 493 HE1 TRP A 692 -7.154 3.849 5.208 1.00 0.00 H ATOM 494 HD1 TRP A 692 -5.118 5.470 5.116 1.00 0.00 H ATOM 495 HZ2 TRP A 692 -7.739 1.258 4.279 1.00 0.00 H ATOM 496 HH2 TRP A 692 -6.734 -0.620 3.035 1.00 0.00 H ATOM 497 HZ3 TRP A 692 -4.421 -0.484 2.184 1.00 0.00 H ATOM 498 HE3 TRP A 692 -3.053 1.543 2.542 1.00 0.00 H ATOM 499 H TRP A 692 -0.422 5.065 2.942 1.00 0.00 H ATOM 500 N GLU A 693 -3.279 6.065 1.096 1.00 0.00 N ATOM 501 CA GLU A 693 -4.201 6.712 0.167 1.00 0.00 C ATOM 502 C GLU A 693 -4.150 6.061 -1.213 1.00 0.00 C ATOM 503 O GLU A 693 -5.182 5.861 -1.854 1.00 0.00 O ATOM 504 CB GLU A 693 -3.891 8.214 0.066 1.00 0.00 C ATOM 505 CG GLU A 693 -3.264 8.640 -1.255 1.00 0.00 C ATOM 506 CD GLU A 693 -2.852 10.099 -1.262 1.00 0.00 C ATOM 507 OE1 GLU A 693 -1.997 10.480 -0.435 1.00 0.00 O ATOM 508 OE2 GLU A 693 -3.384 10.862 -2.097 1.00 0.00 O ATOM 509 HA GLU A 693 -5.212 6.586 0.556 1.00 0.00 H ATOM 510 HB2 GLU A 693 -4.823 8.764 0.194 1.00 0.00 H ATOM 511 HB3 GLU A 693 -3.203 8.475 0.870 1.00 0.00 H ATOM 512 HG2 GLU A 693 -2.381 8.027 -1.436 1.00 0.00 H ATOM 513 HG3 GLU A 693 -3.988 8.478 -2.054 1.00 0.00 H ATOM 514 H GLU A 693 -2.592 6.647 1.616 1.00 0.00 H ATOM 515 N LYS A 694 -2.945 5.731 -1.664 1.00 0.00 N ATOM 516 CA LYS A 694 -2.766 5.104 -2.966 1.00 0.00 C ATOM 517 C LYS A 694 -2.894 3.585 -2.875 1.00 0.00 C ATOM 518 O LYS A 694 -3.578 2.961 -3.686 1.00 0.00 O ATOM 519 CB LYS A 694 -1.399 5.474 -3.547 1.00 0.00 C ATOM 520 CG LYS A 694 -1.315 6.910 -4.036 1.00 0.00 C ATOM 521 CD LYS A 694 0.089 7.257 -4.507 1.00 0.00 C ATOM 522 CE LYS A 694 1.015 7.549 -3.337 1.00 0.00 C ATOM 523 NZ LYS A 694 1.842 8.765 -3.573 1.00 0.00 N ATOM 524 HA LYS A 694 -3.553 5.473 -3.624 1.00 0.00 H ATOM 525 HB2 LYS A 694 -0.645 5.328 -2.774 1.00 0.00 H ATOM 526 HB3 LYS A 694 -1.190 4.811 -4.386 1.00 0.00 H ATOM 527 HG2 LYS A 694 -2.010 7.044 -4.865 1.00 0.00 H ATOM 528 HG3 LYS A 694 -1.591 7.579 -3.221 1.00 0.00 H ATOM 529 HD2 LYS A 694 0.490 6.417 -5.075 1.00 0.00 H ATOM 530 HD3 LYS A 694 0.040 8.137 -5.148 1.00 0.00 H ATOM 531 HE2 LYS A 694 1.677 6.696 -3.190 1.00 0.00 H ATOM 532 HE3 LYS A 694 0.414 7.700 -2.441 1.00 0.00 H ATOM 533 HZ1 LYS A 694 2.424 8.627 -4.423 1.00 0.00 H ATOM 534 HZ2 LYS A 694 1.218 9.586 -3.708 1.00 0.00 H ATOM 535 HZ3 LYS A 694 2.459 8.928 -2.752 1.00 0.00 H ATOM 536 H LYS A 694 -2.111 5.925 -1.074 1.00 0.00 H ATOM 537 N HIS A 695 -2.209 2.996 -1.901 1.00 0.00 N ATOM 538 CA HIS A 695 -2.220 1.548 -1.722 1.00 0.00 C ATOM 539 C HIS A 695 -3.625 0.996 -1.489 1.00 0.00 C ATOM 540 O HIS A 695 -3.975 -0.054 -2.025 1.00 0.00 O ATOM 541 CB HIS A 695 -1.314 1.148 -0.556 1.00 0.00 C ATOM 542 CG HIS A 695 -1.263 -0.331 -0.336 1.00 0.00 C ATOM 543 ND1 HIS A 695 -0.856 -1.233 -1.293 1.00 0.00 N ATOM 544 CD2 HIS A 695 -1.596 -1.065 0.755 1.00 0.00 C ATOM 545 CE1 HIS A 695 -0.955 -2.461 -0.768 1.00 0.00 C ATOM 546 NE2 HIS A 695 -1.398 -2.415 0.474 1.00 0.00 N ATOM 547 HA HIS A 695 -1.845 1.115 -2.650 1.00 0.00 H ATOM 548 HB2 HIS A 695 -0.305 1.504 -0.762 1.00 0.00 H ATOM 549 HB3 HIS A 695 -1.687 1.622 0.352 1.00 0.00 H ATOM 550 HD2 HIS A 695 -1.960 -0.663 1.700 1.00 0.00 H ATOM 551 HE1 HIS A 695 -0.702 -3.379 -1.298 1.00 0.00 H ATOM 552 H HIS A 695 -1.650 3.583 -1.249 1.00 0.00 H ATOM 553 N HIS A 696 -4.423 1.682 -0.676 1.00 0.00 N ATOM 554 CA HIS A 696 -5.774 1.227 -0.365 1.00 0.00 C ATOM 555 C HIS A 696 -6.606 0.987 -1.619 1.00 0.00 C ATOM 556 O HIS A 696 -7.478 0.119 -1.622 1.00 0.00 O ATOM 557 CB HIS A 696 -6.486 2.178 0.605 1.00 0.00 C ATOM 558 CG HIS A 696 -6.948 3.471 0.014 1.00 0.00 C ATOM 559 ND1 HIS A 696 -7.834 3.559 -1.040 1.00 0.00 N ATOM 560 CD2 HIS A 696 -6.667 4.743 0.371 1.00 0.00 C ATOM 561 CE1 HIS A 696 -8.073 4.832 -1.301 1.00 0.00 C ATOM 562 NE2 HIS A 696 -7.378 5.569 -0.459 1.00 0.00 N ATOM 563 HA HIS A 696 -5.669 0.265 0.136 1.00 0.00 H ATOM 564 HB2 HIS A 696 -7.358 1.660 1.004 1.00 0.00 H ATOM 565 HB3 HIS A 696 -5.797 2.407 1.418 1.00 0.00 H ATOM 566 HD2 HIS A 696 -5.997 5.055 1.172 1.00 0.00 H ATOM 567 HE1 HIS A 696 -8.734 5.209 -2.082 1.00 0.00 H ATOM 568 H HIS A 696 -4.075 2.565 -0.251 1.00 0.00 H ATOM 569 N HIS A 697 -6.327 1.718 -2.700 1.00 0.00 N ATOM 570 CA HIS A 697 -7.060 1.509 -3.945 1.00 0.00 C ATOM 571 C HIS A 697 -6.849 0.078 -4.433 1.00 0.00 C ATOM 572 O HIS A 697 -7.715 -0.500 -5.088 1.00 0.00 O ATOM 573 CB HIS A 697 -6.584 2.472 -5.039 1.00 0.00 C ATOM 574 CG HIS A 697 -6.626 3.921 -4.667 1.00 0.00 C ATOM 575 ND1 HIS A 697 -7.763 4.559 -4.220 1.00 0.00 N ATOM 576 CD2 HIS A 697 -5.658 4.868 -4.707 1.00 0.00 C ATOM 577 CE1 HIS A 697 -7.492 5.835 -4.005 1.00 0.00 C ATOM 578 NE2 HIS A 697 -6.223 6.047 -4.292 1.00 0.00 N ATOM 579 HA HIS A 697 -8.115 1.693 -3.745 1.00 0.00 H ATOM 580 HB2 HIS A 697 -5.555 2.217 -5.290 1.00 0.00 H ATOM 581 HB3 HIS A 697 -7.217 2.329 -5.915 1.00 0.00 H ATOM 582 HD2 HIS A 697 -4.622 4.720 -5.012 1.00 0.00 H ATOM 583 HE1 HIS A 697 -8.199 6.585 -3.650 1.00 0.00 H ATOM 584 H HIS A 697 -5.582 2.442 -2.655 1.00 0.00 H ATOM 585 N ILE A 698 -5.678 -0.476 -4.123 1.00 0.00 N ATOM 586 CA ILE A 698 -5.332 -1.831 -4.543 1.00 0.00 C ATOM 587 C ILE A 698 -5.678 -2.862 -3.473 1.00 0.00 C ATOM 588 O ILE A 698 -6.368 -3.843 -3.746 1.00 0.00 O ATOM 589 CB ILE A 698 -3.827 -1.964 -4.869 1.00 0.00 C ATOM 590 CG1 ILE A 698 -3.274 -0.677 -5.490 1.00 0.00 C ATOM 591 CG2 ILE A 698 -3.596 -3.142 -5.802 1.00 0.00 C ATOM 592 CD1 ILE A 698 -1.762 -0.592 -5.445 1.00 0.00 C ATOM 593 HA ILE A 698 -5.920 -2.023 -5.440 1.00 0.00 H ATOM 594 HB ILE A 698 -3.294 -2.139 -3.934 1.00 0.00 H ATOM 595 HG12 ILE A 698 -3.593 -0.630 -6.531 1.00 0.00 H ATOM 596 HG13 ILE A 698 -3.685 0.174 -4.947 1.00 0.00 H ATOM 597 HD11 ILE A 698 -1.428 -0.627 -4.408 1.00 0.00 H ATOM 598 HD12 ILE A 698 -1.336 -1.432 -5.994 1.00 0.00 H ATOM 599 HD13 ILE A 698 -1.438 0.344 -5.901 1.00 0.00 H ATOM 600 HG21 ILE A 698 -3.941 -4.058 -5.321 1.00 0.00 H ATOM 601 HG22 ILE A 698 -4.150 -2.985 -6.727 1.00 0.00 H ATOM 602 HG23 ILE A 698 -2.532 -3.225 -6.024 1.00 0.00 H ATOM 603 H ILE A 698 -4.991 0.072 -3.566 1.00 0.00 H ATOM 604 N CYS A 699 -5.177 -2.637 -2.258 1.00 0.00 N ATOM 605 CA CYS A 699 -5.402 -3.538 -1.127 1.00 0.00 C ATOM 606 C CYS A 699 -6.810 -4.126 -1.122 1.00 0.00 C ATOM 607 O CYS A 699 -7.764 -3.497 -1.581 1.00 0.00 O ATOM 608 CB CYS A 699 -5.156 -2.795 0.186 1.00 0.00 C ATOM 609 SG CYS A 699 -4.796 -3.874 1.589 1.00 0.00 S ATOM 610 HA CYS A 699 -4.700 -4.365 -1.230 1.00 0.00 H ATOM 611 HB2 CYS A 699 -6.047 -2.212 0.422 1.00 0.00 H ATOM 612 HB3 CYS A 699 -4.310 -2.122 0.045 1.00 0.00 H ATOM 613 HG CYS A 699 -3.661 -4.612 1.321 1.00 0.00 H ATOM 614 H CYS A 699 -4.601 -1.784 -2.108 1.00 0.00 H ATOM 615 N GLY A 700 -6.926 -5.340 -0.589 1.00 0.00 N ATOM 616 CA GLY A 700 -8.212 -6.004 -0.518 1.00 0.00 C ATOM 617 C GLY A 700 -8.507 -6.857 -1.738 1.00 0.00 C ATOM 618 O GLY A 700 -9.353 -7.750 -1.687 1.00 0.00 O ATOM 619 HA3 GLY A 700 -8.990 -5.246 -0.427 1.00 0.00 H ATOM 620 HA2 GLY A 700 -8.225 -6.643 0.365 1.00 0.00 H ATOM 621 H GLY A 700 -6.081 -5.819 -0.218 1.00 0.00 H ATOM 622 N GLN A 701 -7.812 -6.584 -2.839 1.00 0.00 N ATOM 623 CA GLN A 701 -8.013 -7.336 -4.073 1.00 0.00 C ATOM 624 C GLN A 701 -9.441 -7.172 -4.582 1.00 0.00 C ATOM 625 O GLN A 701 -10.311 -6.674 -3.868 1.00 0.00 O ATOM 626 CB GLN A 701 -7.706 -8.818 -3.849 1.00 0.00 C ATOM 627 CG GLN A 701 -6.319 -9.074 -3.284 1.00 0.00 C ATOM 628 CD GLN A 701 -6.040 -10.548 -3.068 1.00 0.00 C ATOM 629 OE1 GLN A 701 -5.024 -11.073 -3.523 1.00 0.00 O ATOM 630 NE2 GLN A 701 -6.944 -11.225 -2.370 1.00 0.00 N ATOM 631 HA GLN A 701 -7.330 -6.941 -4.825 1.00 0.00 H ATOM 632 HB2 GLN A 701 -8.442 -9.221 -3.153 1.00 0.00 H ATOM 633 HB3 GLN A 701 -7.790 -9.336 -4.805 1.00 0.00 H ATOM 634 HG2 GLN A 701 -5.580 -8.677 -3.980 1.00 0.00 H ATOM 635 HG3 GLN A 701 -6.231 -8.558 -2.328 1.00 0.00 H ATOM 636 HE22 GLN A 701 -7.788 -10.740 -2.004 1.00 0.00 H ATOM 637 HE21 GLN A 701 -6.808 -12.240 -2.189 1.00 0.00 H ATOM 638 H GLN A 701 -7.110 -5.817 -2.820 1.00 0.00 H ATOM 639 N THR A 702 -9.675 -7.593 -5.820 1.00 0.00 N ATOM 640 CA THR A 702 -10.999 -7.492 -6.424 1.00 0.00 C ATOM 641 C THR A 702 -11.458 -6.040 -6.488 1.00 0.00 C ATOM 642 O THR A 702 -11.975 -5.498 -5.512 1.00 0.00 O ATOM 643 CB THR A 702 -12.009 -8.323 -5.631 1.00 0.00 C ATOM 644 OG1 THR A 702 -11.424 -9.536 -5.189 1.00 0.00 O ATOM 645 CG2 THR A 702 -13.249 -8.674 -6.423 1.00 0.00 C ATOM 646 HA THR A 702 -10.938 -7.880 -7.441 1.00 0.00 H ATOM 647 HB THR A 702 -12.301 -7.695 -4.789 1.00 0.00 H ATOM 648 HG1 THR A 702 -12.094 -10.057 -4.679 1.00 0.00 H ATOM 649 HG23 THR A 702 -13.723 -7.759 -6.778 1.00 0.00 H ATOM 650 HG21 THR A 702 -12.971 -9.295 -7.275 1.00 0.00 H ATOM 651 HG22 THR A 702 -13.943 -9.221 -5.785 1.00 0.00 H ATOM 652 H THR A 702 -8.895 -8.005 -6.372 1.00 0.00 H ATOM 653 N LEU A 703 -11.264 -5.414 -7.644 1.00 0.00 N ATOM 654 CA LEU A 703 -11.658 -4.022 -7.835 1.00 0.00 C ATOM 655 C LEU A 703 -13.170 -3.863 -7.717 1.00 0.00 C ATOM 656 O LEU A 703 -13.929 -4.768 -8.064 1.00 0.00 O ATOM 657 CB LEU A 703 -11.186 -3.519 -9.200 1.00 0.00 C ATOM 658 CG LEU A 703 -9.689 -3.699 -9.473 1.00 0.00 C ATOM 659 CD1 LEU A 703 -9.462 -4.749 -10.549 1.00 0.00 C ATOM 660 CD2 LEU A 703 -9.056 -2.375 -9.878 1.00 0.00 C ATOM 661 HA LEU A 703 -11.186 -3.427 -7.053 1.00 0.00 H ATOM 662 HB2 LEU A 703 -11.738 -4.059 -9.969 1.00 0.00 H ATOM 663 HB3 LEU A 703 -11.417 -2.456 -9.268 1.00 0.00 H ATOM 664 HG LEU A 703 -9.213 -4.042 -8.554 1.00 0.00 H ATOM 665 HD21 LEU A 703 -9.539 -2.005 -10.782 1.00 0.00 H ATOM 666 HD22 LEU A 703 -9.185 -1.651 -9.073 1.00 0.00 H ATOM 667 HD23 LEU A 703 -7.993 -2.525 -10.067 1.00 0.00 H ATOM 668 HD11 LEU A 703 -9.878 -5.701 -10.219 1.00 0.00 H ATOM 669 HD12 LEU A 703 -9.954 -4.436 -11.470 1.00 0.00 H ATOM 670 HD13 LEU A 703 -8.392 -4.860 -10.726 1.00 0.00 H ATOM 671 H LEU A 703 -10.821 -5.929 -8.432 1.00 0.00 H ATOM 672 N GLN A 704 -13.601 -2.707 -7.224 1.00 0.00 N ATOM 673 CA GLN A 704 -15.023 -2.428 -7.060 1.00 0.00 C ATOM 674 C GLN A 704 -15.681 -2.143 -8.406 1.00 0.00 C ATOM 675 O GLN A 704 -15.587 -1.035 -8.933 1.00 0.00 O ATOM 676 CB GLN A 704 -15.226 -1.239 -6.119 1.00 0.00 C ATOM 677 CG GLN A 704 -16.657 -1.085 -5.632 1.00 0.00 C ATOM 678 CD GLN A 704 -16.759 -0.233 -4.382 1.00 0.00 C ATOM 679 OE1 GLN A 704 -15.776 0.360 -3.938 1.00 0.00 O ATOM 680 NE2 GLN A 704 -17.953 -0.168 -3.806 1.00 0.00 N ATOM 681 HA GLN A 704 -15.492 -3.311 -6.626 1.00 0.00 H ATOM 682 HB2 GLN A 704 -14.579 -1.371 -5.252 1.00 0.00 H ATOM 683 HB3 GLN A 704 -14.942 -0.329 -6.647 1.00 0.00 H ATOM 684 HG2 GLN A 704 -17.247 -0.619 -6.422 1.00 0.00 H ATOM 685 HG3 GLN A 704 -17.060 -2.074 -5.415 1.00 0.00 H ATOM 686 HE22 GLN A 704 -18.757 -0.686 -4.215 1.00 0.00 H ATOM 687 HE21 GLN A 704 -18.085 0.401 -2.945 1.00 0.00 H ATOM 688 H GLN A 704 -12.907 -1.983 -6.948 1.00 0.00 H ATOM 689 N ALA A 705 -16.347 -3.153 -8.958 1.00 0.00 N ATOM 690 CA ALA A 705 -17.020 -3.012 -10.244 1.00 0.00 C ATOM 691 C ALA A 705 -18.400 -3.658 -10.213 1.00 0.00 C ATOM 692 O ALA A 705 -19.416 -2.985 -10.386 1.00 0.00 O ATOM 693 CB ALA A 705 -16.174 -3.621 -11.351 1.00 0.00 C ATOM 694 HA ALA A 705 -17.150 -1.949 -10.445 1.00 0.00 H ATOM 695 HB1 ALA A 705 -15.212 -3.110 -11.394 1.00 0.00 H ATOM 696 HB2 ALA A 705 -16.016 -4.680 -11.145 1.00 0.00 H ATOM 697 HB3 ALA A 705 -16.690 -3.508 -12.305 1.00 0.00 H ATOM 698 H ALA A 705 -16.389 -4.065 -8.461 1.00 0.00 H ATOM 699 N GLN A 706 -18.430 -4.969 -9.993 1.00 0.00 N ATOM 700 CA GLN A 706 -19.687 -5.707 -9.939 1.00 0.00 C ATOM 701 C GLN A 706 -20.206 -5.795 -8.509 1.00 0.00 C ATOM 702 O GLN A 706 -19.554 -6.365 -7.635 1.00 0.00 O ATOM 703 CB GLN A 706 -19.501 -7.112 -10.515 1.00 0.00 C ATOM 704 CG GLN A 706 -18.886 -7.125 -11.905 1.00 0.00 C ATOM 705 CD GLN A 706 -17.825 -8.196 -12.064 1.00 0.00 C ATOM 706 OE1 GLN A 706 -16.812 -8.190 -11.367 1.00 0.00 O ATOM 707 NE2 GLN A 706 -18.055 -9.123 -12.987 1.00 0.00 N ATOM 708 HA GLN A 706 -20.422 -5.170 -10.539 1.00 0.00 H ATOM 709 HB2 GLN A 706 -18.851 -7.676 -9.845 1.00 0.00 H ATOM 710 HB3 GLN A 706 -20.476 -7.596 -10.565 1.00 0.00 H ATOM 711 HG2 GLN A 706 -19.676 -7.305 -12.635 1.00 0.00 H ATOM 712 HG3 GLN A 706 -18.432 -6.153 -12.095 1.00 0.00 H ATOM 713 HE22 GLN A 706 -18.927 -9.088 -13.553 1.00 0.00 H ATOM 714 HE21 GLN A 706 -17.364 -9.884 -13.143 1.00 0.00 H ATOM 715 H GLN A 706 -17.535 -5.481 -9.856 1.00 0.00 H ATOM 716 N GLN A 707 -21.384 -5.226 -8.275 1.00 0.00 N ATOM 717 CA GLN A 707 -21.991 -5.240 -6.950 1.00 0.00 C ATOM 718 C GLN A 707 -21.101 -4.528 -5.936 1.00 0.00 C ATOM 719 O GLN A 707 -20.046 -4.000 -6.346 1.00 0.00 O ATOM 720 CB GLN A 707 -22.252 -6.680 -6.502 1.00 0.00 C ATOM 721 CG GLN A 707 -23.727 -7.008 -6.339 1.00 0.00 C ATOM 722 CD GLN A 707 -24.006 -7.849 -5.109 1.00 0.00 C ATOM 723 OE1 GLN A 707 -23.736 -7.431 -3.984 1.00 0.00 O ATOM 724 NE2 GLN A 707 -24.549 -9.043 -5.320 1.00 0.00 N ATOM 725 HA GLN A 707 -22.941 -4.708 -7.005 1.00 0.00 H ATOM 726 OXT GLN A 707 -21.466 -4.506 -4.742 1.00 0.00 O ATOM 727 HB2 GLN A 707 -21.829 -7.355 -7.246 1.00 0.00 H ATOM 728 HB3 GLN A 707 -21.755 -6.839 -5.545 1.00 0.00 H ATOM 729 HG2 GLN A 707 -24.285 -6.075 -6.258 1.00 0.00 H ATOM 730 HG3 GLN A 707 -24.062 -7.556 -7.220 1.00 0.00 H ATOM 731 HE22 GLN A 707 -24.760 -9.354 -6.290 1.00 0.00 H ATOM 732 HE21 GLN A 707 -24.763 -9.666 -4.516 1.00 0.00 H ATOM 733 H GLN A 707 -21.885 -4.759 -9.057 1.00 0.00 H TER 734 GLN A 707 HETATM 735 ZN ZN A 1 9.205 3.258 5.336 1.00 0.00 ZN HETATM 736 ZN ZN A 2 -2.477 -3.850 1.412 1.00 0.00 ZN HETATM 737 N THR A 3 -6.783 11.636 5.818 1.00 0.24 N HETATM 738 CA THR A 3 -8.259 11.538 5.965 1.00 0.09 C HETATM 739 CB THR A 3 -8.896 12.767 5.315 1.00 0.11 C HETATM 740 CG2 THR A 3 -8.520 12.935 3.858 1.00 -0.03 C HETATM 741 H7 THR A 3 -9.010 13.833 3.454 1.00 0.03 H HETATM 742 H8 THR A 3 -8.848 12.052 3.290 1.00 0.03 H HETATM 743 H9 THR A 3 -7.429 13.042 3.771 1.00 0.03 H HETATM 744 OG1 THR A 3 -10.309 12.699 5.389 1.00 -0.38 O HETATM 745 H6 THR A 3 -10.616 11.958 4.880 1.00 0.21 H HETATM 746 H5 THR A 3 -8.553 13.655 5.867 1.00 0.07 H HETATM 747 C THR A 3 -8.793 10.262 5.320 1.00 0.23 C HETATM 748 O THR A 3 -9.630 10.312 4.418 1.00 -0.39 O HETATM 749 N THR A 3 -8.303 9.120 5.791 1.00 -0.26 N HETATM 750 CA THR A 3 -8.729 7.829 5.261 1.00 0.13 C HETATM 751 CB THR A 3 -7.694 7.257 4.275 1.00 -0.00 C HETATM 752 CG2 THR A 3 -8.256 6.036 3.563 1.00 -0.06 C HETATM 753 H15 THR A 3 -8.550 5.281 4.307 1.00 0.02 H HETATM 754 H16 THR A 3 -7.489 5.615 2.897 1.00 0.02 H HETATM 755 H17 THR A 3 -9.135 6.329 2.971 1.00 0.02 H HETATM 756 CG1 THR A 3 -7.276 8.325 3.263 1.00 -0.05 C HETATM 757 CD1 THR A 3 -6.020 7.971 2.495 1.00 -0.06 C HETATM 758 H18 THR A 3 -5.781 8.781 1.790 1.00 0.02 H HETATM 759 H19 THR A 3 -6.182 7.036 1.939 1.00 0.02 H HETATM 760 H20 THR A 3 -5.185 7.840 3.199 1.00 0.02 H HETATM 761 H13 THR A 3 -7.100 9.267 3.803 1.00 0.03 H HETATM 762 H14 THR A 3 -8.097 8.463 2.544 1.00 0.03 H HETATM 763 H12 THR A 3 -6.804 6.949 4.843 1.00 0.03 H HETATM 764 C THR A 3 -8.953 6.825 6.386 1.00 0.20 C HETATM 765 O THR A 3 -8.454 7.000 7.498 1.00 -0.39 O HETATM 766 N THR A 3 -9.707 5.770 6.091 1.00 -0.26 N HETATM 767 CA THR A 3 -9.998 4.735 7.079 1.00 0.15 C HETATM 768 CB THR A 3 -10.831 3.618 6.446 1.00 0.08 C HETATM 769 OG THR A 3 -11.808 3.135 7.352 1.00 -0.39 O HETATM 770 H25 THR A 3 -12.310 2.444 6.936 1.00 0.21 H HETATM 771 H23 THR A 3 -10.165 2.790 6.161 1.00 0.06 H HETATM 772 H24 THR A 3 -11.334 4.009 5.550 1.00 0.06 H HETATM 773 C THR A 3 -8.711 4.158 7.661 1.00 0.21 C HETATM 774 O THR A 3 -7.617 4.652 7.387 1.00 -0.39 O HETATM 775 N THR A 3 -8.851 3.112 8.469 1.00 -0.26 N HETATM 776 CA THR A 3 -7.699 2.469 9.092 1.00 0.15 C HETATM 777 CB THR A 3 -7.979 2.204 10.573 1.00 0.08 C HETATM 778 CG THR A 3 -7.418 3.289 11.471 1.00 0.18 C HETATM 779 ND2 THR A 3 -7.890 3.333 12.711 1.00 -0.30 N HETATM 780 H30 THR A 3 -7.557 4.028 13.348 1.00 0.18 H HETATM 781 H31 THR A 3 -8.579 2.672 13.008 1.00 0.18 H HETATM 782 OD1 THR A 3 -6.569 4.078 11.055 1.00 -0.40 O HETATM 783 H28 THR A 3 -7.522 1.243 10.852 1.00 0.06 H HETATM 784 H29 THR A 3 -9.067 2.150 10.722 1.00 0.06 H HETATM 785 C THR A 3 -7.358 1.157 8.385 1.00 0.21 C HETATM 786 O THR A 3 -8.132 0.202 8.432 1.00 -0.39 O HETATM 787 N THR A 3 -6.190 1.089 7.720 1.00 -0.25 N HETATM 788 CA THR A 3 -5.759 -0.118 7.008 1.00 0.13 C HETATM 789 C THR A 3 -5.437 -1.268 7.960 1.00 0.21 C HETATM 790 O THR A 3 -5.111 -1.046 9.126 1.00 -0.39 O HETATM 791 N THR A 3 -5.523 -2.517 7.471 1.00 -0.25 N HETATM 792 CA THR A 3 -5.239 -3.705 8.284 1.00 0.13 C HETATM 793 C THR A 3 -3.883 -3.619 8.981 1.00 0.21 C HETATM 794 O THR A 3 -3.075 -2.740 8.678 1.00 -0.39 O HETATM 795 N THR A 3 -3.615 -4.534 9.929 1.00 -0.25 N HETATM 796 CA THR A 3 -2.348 -4.556 10.669 1.00 0.13 C HETATM 797 C THR A 3 -1.171 -4.979 9.797 1.00 0.20 C HETATM 798 O THR A 3 -1.350 -5.625 8.764 1.00 -0.39 O HETATM 799 N THR A 3 0.034 -4.611 10.222 1.00 -0.26 N HETATM 800 CA THR A 3 1.243 -4.954 9.482 1.00 0.13 C HETATM 801 CB THR A 3 2.230 -3.783 9.508 1.00 -0.01 C HETATM 802 CG THR A 3 2.067 -2.768 8.375 1.00 -0.04 C HETATM 803 CD1 THR A 3 2.851 -1.499 8.675 1.00 -0.06 C HETATM 804 H58 THR A 3 2.721 -0.784 7.850 1.00 0.02 H HETATM 805 H59 THR A 3 3.918 -1.744 8.783 1.00 0.02 H HETATM 806 H60 THR A 3 2.481 -1.052 9.610 1.00 0.02 H HETATM 807 CD2 THR A 3 2.514 -3.371 7.051 1.00 -0.06 C HETATM 808 H61 THR A 3 1.937 -4.286 6.851 1.00 0.02 H HETATM 809 H62 THR A 3 3.585 -3.617 7.103 1.00 0.02 H HETATM 810 H63 THR A 3 2.343 -2.646 6.242 1.00 0.02 H HETATM 811 H57 THR A 3 1.002 -2.506 8.295 1.00 0.03 H HETATM 812 H55 THR A 3 3.248 -4.195 9.452 1.00 0.03 H HETATM 813 H56 THR A 3 2.102 -3.251 10.462 1.00 0.03 H HETATM 814 C THR A 3 1.902 -6.200 10.064 1.00 0.20 C HETATM 815 O THR A 3 1.866 -6.425 11.274 1.00 -0.39 O HETATM 816 N THR A 3 2.510 -7.004 9.198 1.00 -0.26 N HETATM 817 CA THR A 3 3.184 -8.224 9.630 1.00 0.13 C HETATM 818 CB THR A 3 2.648 -9.473 8.894 1.00 -0.00 C HETATM 819 CG2 THR A 3 1.524 -10.113 9.689 1.00 -0.06 C HETATM 820 H69 THR A 3 1.885 -10.363 10.698 1.00 0.02 H HETATM 821 H70 THR A 3 1.192 -11.030 9.181 1.00 0.02 H HETATM 822 H71 THR A 3 0.682 -9.410 9.764 1.00 0.02 H HETATM 823 CG1 THR A 3 2.167 -9.118 7.488 1.00 -0.05 C HETATM 824 CD1 THR A 3 1.945 -10.325 6.603 1.00 -0.06 C HETATM 825 H72 THR A 3 1.601 -9.995 5.612 1.00 0.02 H HETATM 826 H73 THR A 3 1.184 -10.977 7.056 1.00 0.02 H HETATM 827 H74 THR A 3 2.888 -10.881 6.497 1.00 0.02 H HETATM 828 H67 THR A 3 2.922 -8.473 7.014 1.00 0.03 H HETATM 829 H68 THR A 3 1.217 -8.569 7.573 1.00 0.03 H HETATM 830 H66 THR A 3 3.469 -10.200 8.805 1.00 0.03 H HETATM 831 C THR A 3 4.686 -8.126 9.402 1.00 0.20 C HETATM 832 O THR A 3 5.138 -7.905 8.279 1.00 -0.39 O HETATM 833 N THR A 3 5.459 -8.296 10.468 1.00 -0.26 N HETATM 834 CA THR A 3 6.911 -8.229 10.369 1.00 0.15 C HETATM 835 CB THR A 3 7.507 -7.599 11.628 1.00 0.08 C HETATM 836 OG THR A 3 6.674 -7.820 12.754 1.00 -0.39 O HETATM 837 H79 THR A 3 7.067 -7.419 13.521 1.00 0.21 H HETATM 838 H77 THR A 3 7.617 -6.516 11.470 1.00 0.06 H HETATM 839 H78 THR A 3 8.495 -8.044 11.819 1.00 0.06 H HETATM 840 C THR A 3 7.503 -9.614 10.156 1.00 0.21 C HETATM 841 O THR A 3 7.222 -10.544 10.913 1.00 -0.39 O HETATM 842 N THR A 3 8.328 -9.745 9.126 1.00 -0.26 N HETATM 843 CA THR A 3 8.967 -11.016 8.817 1.00 0.15 C HETATM 844 CB THR A 3 8.666 -11.431 7.377 1.00 0.08 C HETATM 845 OG THR A 3 9.357 -12.620 7.033 1.00 -0.39 O HETATM 846 H84 THR A 3 9.153 -12.855 6.136 1.00 0.21 H HETATM 847 H82 THR A 3 8.979 -10.624 6.698 1.00 0.06 H HETATM 848 H83 THR A 3 7.584 -11.601 7.271 1.00 0.06 H HETATM 849 C THR A 3 10.471 -10.922 9.032 1.00 0.21 C HETATM 850 O THR A 3 11.075 -9.873 8.808 1.00 -0.39 O HETATM 851 N THR A 3 11.068 -12.020 9.472 1.00 -0.26 N HETATM 852 CA THR A 3 12.503 -12.057 9.724 1.00 0.13 C HETATM 853 CB THR A 3 12.869 -11.048 10.804 1.00 -0.02 C HETATM 854 H87 THR A 3 13.953 -11.084 10.987 1.00 0.03 H HETATM 855 H88 THR A 3 12.332 -11.294 11.732 1.00 0.03 H HETATM 856 H89 THR A 3 12.586 -10.038 10.473 1.00 0.03 H HETATM 857 C THR A 3 12.955 -13.457 10.125 1.00 0.20 C HETATM 858 O THR A 3 12.346 -14.097 10.981 1.00 -0.39 O HETATM 859 N THR A 3 14.031 -13.925 9.499 1.00 -0.26 N HETATM 860 CA THR A 3 14.568 -15.250 9.790 1.00 0.14 C HETATM 861 CB THR A 3 14.370 -16.178 8.590 1.00 -0.01 C HETATM 862 CG THR A 3 12.962 -16.740 8.481 1.00 -0.04 C HETATM 863 CD THR A 3 12.690 -17.774 9.560 1.00 -0.01 C HETATM 864 CE THR A 3 13.390 -19.090 9.259 1.00 -0.04 C HETATM 865 NZ THR A 3 12.763 -19.803 8.114 1.00 0.22 N HETATM 866 H100 THR A 3 13.254 -20.667 7.947 1.00 0.20 H HETATM 867 H101 THR A 3 12.812 -19.224 7.290 1.00 0.20 H HETATM 868 H102 THR A 3 11.798 -20.001 8.329 1.00 0.20 H HETATM 869 H98 THR A 3 13.337 -19.733 10.150 1.00 0.08 H HETATM 870 H99 THR A 3 14.443 -18.885 9.017 1.00 0.08 H HETATM 871 H96 THR A 3 11.606 -17.951 9.620 1.00 0.03 H HETATM 872 H97 THR A 3 13.053 -17.389 10.524 1.00 0.03 H HETATM 873 H94 THR A 3 12.841 -17.212 7.495 1.00 0.03 H HETATM 874 H95 THR A 3 12.240 -15.917 8.585 1.00 0.03 H HETATM 875 H92 THR A 3 15.074 -17.018 8.681 1.00 0.03 H HETATM 876 H93 THR A 3 14.591 -15.612 7.673 1.00 0.03 H HETATM 877 C THR A 3 16.048 -15.168 10.146 1.00 0.26 C HETATM 878 O THR A 3 16.664 -14.106 10.048 1.00 -0.37 O HETATM 879 O1 THR A 3 16.683 -16.258 10.568 1.00 -0.29 O HETATM 880 H103 THR A 3 17.026 -16.105 11.441 1.00 0.25 H HETATM 881 H91 THR A 3 14.023 -15.666 10.650 1.00 0.08 H HETATM 882 H90 THR A 3 14.483 -13.355 8.812 1.00 0.19 H HETATM 883 H86 THR A 3 13.025 -11.779 8.796 1.00 0.08 H HETATM 884 H85 THR A 3 10.522 -12.842 9.635 1.00 0.19 H HETATM 885 H81 THR A 3 8.564 -11.783 9.494 1.00 0.08 H HETATM 886 H80 THR A 3 8.516 -8.951 8.547 1.00 0.19 H HETATM 887 H76 THR A 3 7.172 -7.600 9.505 1.00 0.08 H HETATM 888 H75 THR A 3 5.036 -8.474 11.357 1.00 0.19 H HETATM 889 H65 THR A 3 3.000 -8.350 10.707 1.00 0.08 H HETATM 890 H64 THR A 3 2.506 -6.767 8.226 1.00 0.19 H HETATM 891 H54 THR A 3 0.967 -5.159 8.437 1.00 0.08 H HETATM 892 H53 THR A 3 0.113 -4.086 11.070 1.00 0.19 H HETATM 893 CB THR A 3 -2.598 -5.591 11.769 1.00 -0.01 C HETATM 894 CG THR A 3 -3.649 -6.487 11.214 1.00 -0.03 C HETATM 895 CD THR A 3 -4.523 -5.617 10.353 1.00 0.04 C HETATM 896 H51 THR A 3 -4.901 -6.176 9.485 1.00 0.05 H HETATM 897 H52 THR A 3 -5.370 -5.217 10.929 1.00 0.05 H HETATM 898 H49 THR A 3 -3.191 -7.285 10.611 1.00 0.03 H HETATM 899 H50 THR A 3 -4.238 -6.935 12.028 1.00 0.03 H HETATM 900 H47 THR A 3 -2.951 -5.102 12.689 1.00 0.03 H HETATM 901 H48 THR A 3 -1.680 -6.157 11.985 1.00 0.03 H HETATM 902 H46 THR A 3 -2.138 -3.567 11.102 1.00 0.08 H HETATM 903 CB THR A 3 -5.246 -4.844 7.263 1.00 -0.01 C HETATM 904 CG THR A 3 -6.118 -4.356 6.160 1.00 -0.03 C HETATM 905 CD THR A 3 -5.905 -2.870 6.091 1.00 0.04 C HETATM 906 H44 THR A 3 -5.101 -2.620 5.383 1.00 0.05 H HETATM 907 H45 THR A 3 -6.829 -2.353 5.794 1.00 0.05 H HETATM 908 H42 THR A 3 -5.831 -4.828 5.209 1.00 0.03 H HETATM 909 H43 THR A 3 -7.172 -4.581 6.378 1.00 0.03 H HETATM 910 H40 THR A 3 -5.660 -5.761 7.708 1.00 0.03 H HETATM 911 H41 THR A 3 -4.228 -5.041 6.895 1.00 0.03 H HETATM 912 H39 THR A 3 -6.024 -3.851 9.040 1.00 0.08 H HETATM 913 CB THR A 3 -4.496 0.331 6.268 1.00 -0.01 C HETATM 914 CG THR A 3 -3.986 1.485 7.057 1.00 -0.03 C HETATM 915 CD THR A 3 -5.199 2.177 7.608 1.00 0.04 C HETATM 916 H37 THR A 3 -4.987 2.619 8.592 1.00 0.05 H HETATM 917 H38 THR A 3 -5.551 2.961 6.922 1.00 0.05 H HETATM 918 H35 THR A 3 -3.341 1.133 7.876 1.00 0.03 H HETATM 919 H36 THR A 3 -3.417 2.169 6.410 1.00 0.03 H HETATM 920 H33 THR A 3 -4.738 0.640 5.240 1.00 0.03 H HETATM 921 H34 THR A 3 -3.753 -0.480 6.242 1.00 0.03 H HETATM 922 H32 THR A 3 -6.534 -0.443 6.298 1.00 0.08 H HETATM 923 H27 THR A 3 -6.835 3.145 9.011 1.00 0.08 H HETATM 924 H26 THR A 3 -9.768 2.757 8.654 1.00 0.19 H HETATM 925 H22 THR A 3 -10.579 5.187 7.896 1.00 0.08 H HETATM 926 H21 THR A 3 -10.084 5.683 5.169 1.00 0.19 H HETATM 927 H11 THR A 3 -9.679 7.974 4.726 1.00 0.08 H HETATM 928 H10 THR A 3 -7.626 9.146 6.527 1.00 0.19 H HETATM 929 H4 THR A 3 -8.512 11.524 7.035 1.00 0.11 H HETATM 930 H1 THR A 3 -6.458 12.486 6.252 1.00 0.20 H HETATM 931 H2 THR A 3 -6.543 11.645 4.839 1.00 0.20 H HETATM 932 H3 THR A 3 -6.348 10.844 6.263 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 68 67 72 735 CONECT 117 116 121 735 CONECT 231 230 235 736 CONECT 260 259 264 736 CONECT 354 353 358 735 CONECT 403 402 407 735 CONECT 546 544 545 736 CONECT 609 608 613 736 CONECT 735 68 117 354 403 CONECT 736 231 260 546 609 CONECT 737 738 930 931 932 CONECT 738 737 739 747 929 CONECT 739 738 740 744 746 CONECT 740 739 741 742 743 CONECT 741 740 CONECT 742 740 CONECT 743 740 CONECT 744 739 745 CONECT 745 744 CONECT 746 739 CONECT 747 738 748 749 CONECT 748 747 CONECT 749 747 750 928 CONECT 750 749 751 764 927 CONECT 751 750 752 756 763 CONECT 752 751 753 754 755 CONECT 753 752 CONECT 754 752 CONECT 755 752 CONECT 756 751 757 761 762 CONECT 757 756 758 759 760 CONECT 758 757 CONECT 759 757 CONECT 760 757 CONECT 761 756 CONECT 762 756 CONECT 763 751 CONECT 764 750 765 766 CONECT 765 764 CONECT 766 764 767 926 CONECT 767 766 768 773 925 CONECT 768 767 769 771 772 CONECT 769 768 770 CONECT 770 769 CONECT 771 768 CONECT 772 768 CONECT 773 767 774 775 CONECT 774 773 CONECT 775 773 776 924 CONECT 776 775 777 785 923 CONECT 777 776 778 783 784 CONECT 778 777 779 782 CONECT 779 778 780 781 CONECT 780 779 CONECT 781 779 CONECT 782 778 CONECT 783 777 CONECT 784 777 CONECT 785 776 786 787 CONECT 786 785 CONECT 787 785 788 915 CONECT 788 787 789 913 922 CONECT 789 788 790 791 CONECT 790 789 CONECT 791 789 792 905 CONECT 792 791 793 903 912 CONECT 793 792 794 795 CONECT 794 793 CONECT 795 793 796 895 CONECT 796 795 797 893 902 CONECT 797 796 798 799 CONECT 798 797 CONECT 799 797 800 892 CONECT 800 799 801 814 891 CONECT 801 800 802 812 813 CONECT 802 801 803 807 811 CONECT 803 802 804 805 806 CONECT 804 803 CONECT 805 803 CONECT 806 803 CONECT 807 802 808 809 810 CONECT 808 807 CONECT 809 807 CONECT 810 807 CONECT 811 802 CONECT 812 801 CONECT 813 801 CONECT 814 800 815 816 CONECT 815 814 CONECT 816 814 817 890 CONECT 817 816 818 831 889 CONECT 818 817 819 823 830 CONECT 819 818 820 821 822 CONECT 820 819 CONECT 821 819 CONECT 822 819 CONECT 823 818 824 828 829 CONECT 824 823 825 826 827 CONECT 825 824 CONECT 826 824 CONECT 827 824 CONECT 828 823 CONECT 829 823 CONECT 830 818 CONECT 831 817 832 833 CONECT 832 831 CONECT 833 831 834 888 CONECT 834 833 835 840 887 CONECT 835 834 836 838 839 CONECT 836 835 837 CONECT 837 836 CONECT 838 835 CONECT 839 835 CONECT 840 834 841 842 CONECT 841 840 CONECT 842 840 843 886 CONECT 843 842 844 849 885 CONECT 844 843 845 847 848 CONECT 845 844 846 CONECT 846 845 CONECT 847 844 CONECT 848 844 CONECT 849 843 850 851 CONECT 850 849 CONECT 851 849 852 884 CONECT 852 851 853 857 883 CONECT 853 852 854 855 856 CONECT 854 853 CONECT 855 853 CONECT 856 853 CONECT 857 852 858 859 CONECT 858 857 CONECT 859 857 860 882 CONECT 860 859 861 877 881 CONECT 861 860 862 875 876 CONECT 862 861 863 873 874 CONECT 863 862 864 871 872 CONECT 864 863 865 869 870 CONECT 865 864 866 867 868 CONECT 866 865 CONECT 867 865 CONECT 868 865 CONECT 869 864 CONECT 870 864 CONECT 871 863 CONECT 872 863 CONECT 873 862 CONECT 874 862 CONECT 875 861 CONECT 876 861 CONECT 877 860 878 879 CONECT 878 877 CONECT 879 877 880 CONECT 880 879 CONECT 881 860 CONECT 882 859 CONECT 883 852 CONECT 884 851 CONECT 885 843 CONECT 886 842 CONECT 887 834 CONECT 888 833 CONECT 889 817 CONECT 890 816 CONECT 891 800 CONECT 892 799 CONECT 893 796 894 900 901 CONECT 894 893 895 898 899 CONECT 895 795 894 896 897 CONECT 896 895 CONECT 897 895 CONECT 898 894 CONECT 899 894 CONECT 900 893 CONECT 901 893 CONECT 902 796 CONECT 903 792 904 910 911 CONECT 904 903 905 908 909 CONECT 905 791 904 906 907 CONECT 906 905 CONECT 907 905 CONECT 908 904 CONECT 909 904 CONECT 910 903 CONECT 911 903 CONECT 912 792 CONECT 913 788 914 920 921 CONECT 914 913 915 918 919 CONECT 915 787 914 916 917 CONECT 916 915 CONECT 917 915 CONECT 918 914 CONECT 919 914 CONECT 920 913 CONECT 921 913 CONECT 922 788 CONECT 923 776 CONECT 924 775 CONECT 925 767 CONECT 926 766 CONECT 927 750 CONECT 928 749 CONECT 929 738 CONECT 930 737 CONECT 931 737 CONECT 932 737 MASTER 0 0 0 0 0 0 0 0 931 1 210 4 END
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Related entries of code: 2odd
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4u0c
RCSB PDB
PDBbind
17-mer
4u0d
RCSB PDB
PDBbind
17-mer
4uu5
RCSB PDB
PDBbind
17-mer
4wym
RCSB PDB
PDBbind
17-mer
4z88
RCSB PDB
PDBbind
17-mer
4z89
RCSB PDB
PDBbind
17-mer
4z8a
RCSB PDB
PDBbind
17-mer
5ajo
RCSB PDB
PDBbind
17-mer
5ajp
RCSB PDB
PDBbind
17-mer
5fos
RCSB PDB
PDBbind
17-mer
5hog
RCSB PDB
PDBbind
17-mer
5i22
RCSB PDB
PDBbind
17-mer
5ixt
RCSB PDB
PDBbind
17-mer
5j3v
RCSB PDB
PDBbind
17-mer
5twh
RCSB PDB
PDBbind
17-mer
5vlp
RCSB PDB
PDBbind
17-mer
5vzu
RCSB PDB
PDBbind
17-mer
5xgl
RCSB PDB
PDBbind
17-mer
5xxf
RCSB PDB
PDBbind
17-mer
5yco
RCSB PDB
PDBbind
17-mer
5znr
RCSB PDB
PDBbind
17-mer
6a6w
RCSB PDB
PDBbind
17-mer
6e49
RCSB PDB
PDBbind
17-mer
6f6d
RCSB PDB
PDBbind
17-mer
6rjp
RCSB PDB
PDBbind
17-mer
6qtm
RCSB PDB
PDBbind
17-mer
6q36
RCSB PDB
PDBbind
17-mer
6njz
RCSB PDB
PDBbind
17-mer
6kmj
RCSB PDB
PDBbind
17-mer
6dat
RCSB PDB
PDBbind
17-mer
6da1
RCSB PDB
PDBbind
17-mer
5zk5
RCSB PDB
PDBbind
17-mer
5oy3
RCSB PDB
PDBbind
17-mer
6uyx
RCSB PDB
PDBbind
17-mer
6uyy
RCSB PDB
PDBbind
17-mer
6uyz
RCSB PDB
PDBbind
17-mer
Entry Information
PDB ID
2odd
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
The MYND domain (NHR4) of ETO
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=109.4uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2007) Cancer Cell Vol. 11: pp. 483-497
Ligand Properties
Formula
C
5
9
H
1
0
3
N
1
5
O
1
9
Molecular Weight
1326.540
Exact Mass
1325.760
No. of atoms
196
No. of bonds
198
Polar Surface Area
539.42
LOGP Value
-6.69 (
Computed with XLOGP3
)
-4.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 19
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)[NH3+])CO)CC(=O)N)CC(C)C)CO)CO)C
InChI String
InChI=1S/C59H101N15O19/c1-9-30(5)45(54(87)69-39(28-77)51(84)67-37(26-75)49(82)63-32(7)47(80)64-34(59(92)93)16-11-12-20-60)70-48(81)35(24-29(3)4)65-52(85)40-17-13-21-72(40)57(90)42-19-15-23-74(42)58(91)41-18-14-22-73(41)56(89)36(25-43(61)79)66-50(83)38(27-76)68-55(88)46(31(6)10-2)71-53(86)44(62)33(8)78/h29-42,44-46,75-78H,9-28,60,62H2,1-8H3,(H2,61,79)(H,63,82)(H,64,80)(H,65,85)(H,66,83)(H,67,84)(H,68,88)(H,69,87)(H,70,81)(H,71,86)(H,92,93)/p+2/t30-,31-,32-,33+,34-,35-,36-,37-,38-,39-,40-,41-,42-,44-,45-,46-/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):
Q9Y618
Q06455
Entrez Gene ID
NCBI Entrez Gene ID:
9612
862
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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