Browse entries in the PDBbind-CN Database
HEADER 2M3Z_COMPLEX COMPND 2M3Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 55 ILE GLN LYS GLY ASN PHE ARG ASN GLN ARG LYS THR VAL SEQRES 2 A 55 LYS CYS PHE ASN CYS GLY LYS GLU GLY HIS ILE ALA LYS SEQRES 3 A 55 ASN CYS ARG ALA PRO ARG LYS LYS GLY CYS TRP LYS CYS SEQRES 4 A 55 GLY LYS GLU GLY HIS GLN MET LYS ASP CYS THR GLU ARG SEQRES 5 A 55 GLN ALA ASN HET ZN A 1 1 HET ZN A 2 1 HET UNN A 58 37 ATOM 1 N ILE A 1 2.073 -14.478 33.650 1.00 0.00 N ATOM 2 CA ILE A 1 0.633 -14.153 33.866 1.00 0.00 C ATOM 3 C ILE A 1 0.172 -13.052 32.899 1.00 0.00 C ATOM 4 O ILE A 1 0.966 -12.185 32.539 1.00 0.00 O ATOM 5 CB ILE A 1 0.340 -13.814 35.354 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.166 -13.756 35.684 1.00 0.00 C ATOM 7 CG2 ILE A 1 1.014 -12.508 35.822 1.00 0.00 C ATOM 8 CD1 ILE A 1 -1.958 -15.043 35.400 1.00 0.00 C ATOM 9 HA ILE A 1 0.043 -15.041 33.639 1.00 0.00 H ATOM 10 HB ILE A 1 0.778 -14.647 35.904 1.00 0.00 H ATOM 11 HG12 ILE A 1 -1.269 -13.526 36.744 1.00 0.00 H ATOM 12 HG13 ILE A 1 -1.608 -12.953 35.095 1.00 0.00 H ATOM 13 HD11 ILE A 1 -1.885 -15.287 34.340 1.00 0.00 H ATOM 14 HD12 ILE A 1 -1.545 -15.860 35.991 1.00 0.00 H ATOM 15 HD13 ILE A 1 -3.004 -14.891 35.668 1.00 0.00 H ATOM 16 HG21 ILE A 1 2.095 -12.598 35.710 1.00 0.00 H ATOM 17 HG22 ILE A 1 0.653 -11.677 35.216 1.00 0.00 H ATOM 18 HG23 ILE A 1 0.769 -12.329 36.869 1.00 0.00 H ATOM 19 HN3 ILE A 1 2.647 -13.626 33.812 1.00 0.00 H ATOM 20 HN2 ILE A 1 2.210 -14.809 32.674 1.00 0.00 H ATOM 21 HN1 ILE A 1 2.362 -15.224 34.314 1.00 0.00 H ATOM 22 N GLN A 2 -1.090 -13.076 32.463 1.00 0.00 N ATOM 23 CA GLN A 2 -1.728 -12.059 31.612 1.00 0.00 C ATOM 24 C GLN A 2 -3.256 -12.193 31.711 1.00 0.00 C ATOM 25 O GLN A 2 -3.773 -13.297 31.890 1.00 0.00 O ATOM 26 CB GLN A 2 -1.230 -12.140 30.150 1.00 0.00 C ATOM 27 CG GLN A 2 -1.433 -13.515 29.482 1.00 0.00 C ATOM 28 CD GLN A 2 -0.909 -13.552 28.044 1.00 0.00 C ATOM 29 OE1 GLN A 2 0.193 -14.012 27.763 1.00 0.00 O ATOM 30 NE2 GLN A 2 -1.666 -13.072 27.083 1.00 0.00 N ATOM 31 HA GLN A 2 -1.444 -11.070 31.972 1.00 0.00 H ATOM 32 HB2 GLN A 2 -1.768 -11.394 29.565 1.00 0.00 H ATOM 33 HB3 GLN A 2 -0.165 -11.910 30.139 1.00 0.00 H ATOM 34 HG2 GLN A 2 -0.905 -14.269 30.066 1.00 0.00 H ATOM 35 HG3 GLN A 2 -2.498 -13.745 29.472 1.00 0.00 H ATOM 36 HE22 GLN A 2 -2.603 -12.679 27.306 1.00 0.00 H ATOM 37 HE21 GLN A 2 -1.328 -13.085 26.099 1.00 0.00 H ATOM 38 H GLN A 2 -1.675 -13.887 32.751 1.00 0.00 H ATOM 39 N LYS A 3 -3.981 -11.075 31.602 1.00 0.00 N ATOM 40 CA LYS A 3 -5.453 -11.046 31.697 1.00 0.00 C ATOM 41 C LYS A 3 -6.142 -11.034 30.321 1.00 0.00 C ATOM 42 O LYS A 3 -7.230 -11.599 30.170 1.00 0.00 O ATOM 43 CB LYS A 3 -5.882 -9.820 32.525 1.00 0.00 C ATOM 44 CG LYS A 3 -5.528 -9.976 34.015 1.00 0.00 C ATOM 45 CD LYS A 3 -5.809 -8.709 34.836 1.00 0.00 C ATOM 46 CE LYS A 3 -7.287 -8.291 34.807 1.00 0.00 C ATOM 47 NZ LYS A 3 -7.530 -7.117 35.683 1.00 0.00 N ATOM 48 HA LYS A 3 -5.771 -11.965 32.190 1.00 0.00 H ATOM 49 HB2 LYS A 3 -5.377 -8.937 32.134 1.00 0.00 H ATOM 50 HB3 LYS A 3 -6.960 -9.692 32.431 1.00 0.00 H ATOM 51 HG2 LYS A 3 -6.117 -10.795 34.428 1.00 0.00 H ATOM 52 HG3 LYS A 3 -4.468 -10.215 34.097 1.00 0.00 H ATOM 53 HD2 LYS A 3 -5.520 -8.894 35.871 1.00 0.00 H ATOM 54 HD3 LYS A 3 -5.209 -7.893 34.433 1.00 0.00 H ATOM 55 HE2 LYS A 3 -7.899 -9.125 35.151 1.00 0.00 H ATOM 56 HE3 LYS A 3 -7.565 -8.036 33.784 1.00 0.00 H ATOM 57 HZ1 LYS A 3 -7.271 -7.357 36.661 1.00 0.00 H ATOM 58 HZ2 LYS A 3 -6.952 -6.317 35.356 1.00 0.00 H ATOM 59 HZ3 LYS A 3 -8.536 -6.858 35.643 1.00 0.00 H ATOM 60 H LYS A 3 -3.480 -10.178 31.442 1.00 0.00 H ATOM 61 N GLY A 4 -5.516 -10.399 29.322 1.00 0.00 N ATOM 62 CA GLY A 4 -5.991 -10.334 27.933 1.00 0.00 C ATOM 63 C GLY A 4 -5.276 -11.325 27.014 1.00 0.00 C ATOM 64 O GLY A 4 -4.358 -12.037 27.426 1.00 0.00 O ATOM 65 HA3 GLY A 4 -5.824 -9.325 27.555 1.00 0.00 H ATOM 66 HA2 GLY A 4 -7.058 -10.554 27.919 1.00 0.00 H ATOM 67 H GLY A 4 -4.624 -9.914 29.547 1.00 0.00 H ATOM 68 N ASN A 5 -5.669 -11.324 25.737 1.00 0.00 N ATOM 69 CA ASN A 5 -4.976 -12.049 24.661 1.00 0.00 C ATOM 70 C ASN A 5 -3.515 -11.577 24.489 1.00 0.00 C ATOM 71 O ASN A 5 -2.625 -12.373 24.181 1.00 0.00 O ATOM 72 CB ASN A 5 -5.776 -11.840 23.364 1.00 0.00 C ATOM 73 CG ASN A 5 -5.109 -12.489 22.153 1.00 0.00 C ATOM 74 OD1 ASN A 5 -5.127 -13.702 21.987 1.00 0.00 O ATOM 75 ND2 ASN A 5 -4.491 -11.705 21.284 1.00 0.00 N ATOM 76 HA ASN A 5 -4.924 -13.108 24.914 1.00 0.00 H ATOM 77 HB2 ASN A 5 -6.768 -12.274 23.491 1.00 0.00 H ATOM 78 HB3 ASN A 5 -5.870 -10.770 23.180 1.00 0.00 H ATOM 79 HD22 ASN A 5 -4.479 -10.675 21.430 1.00 0.00 H ATOM 80 HD21 ASN A 5 -4.018 -12.119 20.455 1.00 0.00 H ATOM 81 H ASN A 5 -6.518 -10.777 25.488 1.00 0.00 H ATOM 82 N PHE A 6 -3.275 -10.280 24.709 1.00 0.00 N ATOM 83 CA PHE A 6 -1.977 -9.622 24.567 1.00 0.00 C ATOM 84 C PHE A 6 -1.173 -9.613 25.877 1.00 0.00 C ATOM 85 O PHE A 6 -1.710 -9.821 26.967 1.00 0.00 O ATOM 86 CB PHE A 6 -2.213 -8.192 24.053 1.00 0.00 C ATOM 87 CG PHE A 6 -3.038 -8.130 22.780 1.00 0.00 C ATOM 88 CD1 PHE A 6 -2.480 -8.554 21.559 1.00 0.00 C ATOM 89 CD2 PHE A 6 -4.371 -7.675 22.818 1.00 0.00 C ATOM 90 CE1 PHE A 6 -3.248 -8.518 20.382 1.00 0.00 C ATOM 91 CE2 PHE A 6 -5.138 -7.641 21.641 1.00 0.00 C ATOM 92 CZ PHE A 6 -4.577 -8.062 20.422 1.00 0.00 C ATOM 93 HA PHE A 6 -1.376 -10.186 23.853 1.00 0.00 H ATOM 94 HB2 PHE A 6 -2.733 -7.629 24.828 1.00 0.00 H ATOM 95 HB3 PHE A 6 -1.244 -7.732 23.859 1.00 0.00 H ATOM 96 HD2 PHE A 6 -4.808 -7.349 23.762 1.00 0.00 H ATOM 97 HE2 PHE A 6 -6.169 -7.288 21.673 1.00 0.00 H ATOM 98 HZ PHE A 6 -5.172 -8.035 19.509 1.00 0.00 H ATOM 99 HE1 PHE A 6 -2.812 -8.844 19.437 1.00 0.00 H ATOM 100 HD1 PHE A 6 -1.451 -8.911 21.526 1.00 0.00 H ATOM 101 H PHE A 6 -4.079 -9.690 25.006 1.00 0.00 H ATOM 102 N ARG A 7 0.122 -9.307 25.754 1.00 0.00 N ATOM 103 CA ARG A 7 1.083 -9.127 26.851 1.00 0.00 C ATOM 104 C ARG A 7 0.843 -7.820 27.637 1.00 0.00 C ATOM 105 O ARG A 7 1.606 -6.859 27.540 1.00 0.00 O ATOM 106 CB ARG A 7 2.523 -9.274 26.309 1.00 0.00 C ATOM 107 CG ARG A 7 2.823 -8.488 25.020 1.00 0.00 C ATOM 108 CD ARG A 7 4.306 -8.582 24.634 1.00 0.00 C ATOM 109 NE ARG A 7 4.563 -7.901 23.352 1.00 0.00 N ATOM 110 CZ ARG A 7 4.592 -6.588 23.150 1.00 0.00 C ATOM 111 NH1 ARG A 7 4.498 -5.713 24.123 1.00 0.00 N ATOM 112 NH2 ARG A 7 4.706 -6.091 21.942 1.00 0.00 N ATOM 113 HA ARG A 7 0.930 -9.915 27.588 1.00 0.00 H ATOM 114 HB2 ARG A 7 3.211 -8.930 27.081 1.00 0.00 H ATOM 115 HB3 ARG A 7 2.702 -10.330 26.109 1.00 0.00 H ATOM 116 HG2 ARG A 7 2.219 -8.895 24.209 1.00 0.00 H ATOM 117 HG3 ARG A 7 2.563 -7.441 25.175 1.00 0.00 H ATOM 118 HD2 ARG A 7 4.585 -9.632 24.542 1.00 0.00 H ATOM 119 HD3 ARG A 7 4.908 -8.114 25.413 1.00 0.00 H ATOM 120 HE ARG A 7 4.739 -8.507 22.525 1.00 0.00 H ATOM 121 HH12 ARG A 7 4.526 -4.695 23.912 1.00 0.00 H ATOM 122 HH11 ARG A 7 4.395 -6.037 25.106 1.00 0.00 H ATOM 123 HH22 ARG A 7 4.727 -5.060 21.804 1.00 0.00 H ATOM 124 HH21 ARG A 7 4.775 -6.727 21.122 1.00 0.00 H ATOM 125 H ARG A 7 0.485 -9.184 24.787 1.00 0.00 H ATOM 126 N ASN A 8 -0.240 -7.792 28.422 1.00 0.00 N ATOM 127 CA ASN A 8 -0.646 -6.656 29.268 1.00 0.00 C ATOM 128 C ASN A 8 -0.104 -6.720 30.718 1.00 0.00 C ATOM 129 O ASN A 8 -0.352 -5.810 31.507 1.00 0.00 O ATOM 130 CB ASN A 8 -2.183 -6.530 29.236 1.00 0.00 C ATOM 131 CG ASN A 8 -2.906 -7.435 30.234 1.00 0.00 C ATOM 132 OD1 ASN A 8 -2.696 -8.641 30.293 1.00 0.00 O ATOM 133 ND2 ASN A 8 -3.757 -6.872 31.072 1.00 0.00 N ATOM 134 HA ASN A 8 -0.190 -5.759 28.849 1.00 0.00 H ATOM 135 HB2 ASN A 8 -2.446 -5.496 29.458 1.00 0.00 H ATOM 136 HB3 ASN A 8 -2.526 -6.783 28.233 1.00 0.00 H ATOM 137 HD22 ASN A 8 -3.936 -5.849 31.022 1.00 0.00 H ATOM 138 HD21 ASN A 8 -4.249 -7.452 31.782 1.00 0.00 H ATOM 139 H ASN A 8 -0.843 -8.639 28.436 1.00 0.00 H ATOM 140 N GLN A 9 0.602 -7.798 31.076 1.00 0.00 N ATOM 141 CA GLN A 9 1.298 -7.986 32.360 1.00 0.00 C ATOM 142 C GLN A 9 2.623 -8.742 32.144 1.00 0.00 C ATOM 143 O GLN A 9 3.658 -8.358 32.690 1.00 0.00 O ATOM 144 CB GLN A 9 0.415 -8.797 33.327 1.00 0.00 C ATOM 145 CG GLN A 9 -0.904 -8.126 33.740 1.00 0.00 C ATOM 146 CD GLN A 9 -1.705 -8.987 34.721 1.00 0.00 C ATOM 147 OE1 GLN A 9 -1.657 -10.210 34.714 1.00 0.00 O ATOM 148 NE2 GLN A 9 -2.478 -8.389 35.600 1.00 0.00 N ATOM 149 HA GLN A 9 1.503 -7.003 32.785 1.00 0.00 H ATOM 150 HB2 GLN A 9 0.174 -9.745 32.847 1.00 0.00 H ATOM 151 HB3 GLN A 9 0.993 -8.986 34.231 1.00 0.00 H ATOM 152 HG2 GLN A 9 -0.679 -7.170 34.213 1.00 0.00 H ATOM 153 HG3 GLN A 9 -1.507 -7.956 32.848 1.00 0.00 H ATOM 154 HE22 GLN A 9 -2.533 -7.351 35.623 1.00 0.00 H ATOM 155 HE21 GLN A 9 -3.034 -8.954 36.273 1.00 0.00 H ATOM 156 H GLN A 9 0.665 -8.573 30.386 1.00 0.00 H ATOM 157 N ARG A 10 2.580 -9.802 31.321 1.00 0.00 N ATOM 158 CA ARG A 10 3.708 -10.610 30.839 1.00 0.00 C ATOM 159 C ARG A 10 4.793 -9.738 30.189 1.00 0.00 C ATOM 160 O ARG A 10 4.655 -9.330 29.037 1.00 0.00 O ATOM 161 CB ARG A 10 3.112 -11.631 29.851 1.00 0.00 C ATOM 162 CG ARG A 10 4.092 -12.642 29.242 1.00 0.00 C ATOM 163 CD ARG A 10 3.271 -13.587 28.357 1.00 0.00 C ATOM 164 NE ARG A 10 4.091 -14.610 27.690 1.00 0.00 N ATOM 165 CZ ARG A 10 3.612 -15.570 26.905 1.00 0.00 C ATOM 166 NH1 ARG A 10 2.322 -15.690 26.659 1.00 0.00 N ATOM 167 NH2 ARG A 10 4.436 -16.433 26.351 1.00 0.00 N ATOM 168 HA ARG A 10 4.210 -11.119 31.662 1.00 0.00 H ATOM 169 HB2 ARG A 10 2.341 -12.192 30.379 1.00 0.00 H ATOM 170 HB3 ARG A 10 2.658 -11.074 29.032 1.00 0.00 H ATOM 171 HG2 ARG A 10 4.840 -12.124 28.643 1.00 0.00 H ATOM 172 HG3 ARG A 10 4.588 -13.206 30.032 1.00 0.00 H ATOM 173 HD2 ARG A 10 2.765 -12.996 27.594 1.00 0.00 H ATOM 174 HD3 ARG A 10 2.529 -14.088 28.979 1.00 0.00 H ATOM 175 HE ARG A 10 5.119 -14.580 27.844 1.00 0.00 H ATOM 176 HH12 ARG A 10 1.979 -16.452 26.040 1.00 0.00 H ATOM 177 HH11 ARG A 10 1.647 -15.022 27.084 1.00 0.00 H ATOM 178 HH22 ARG A 10 4.065 -17.185 25.736 1.00 0.00 H ATOM 179 HH21 ARG A 10 5.458 -16.363 26.528 1.00 0.00 H ATOM 180 H ARG A 10 1.637 -10.084 30.985 1.00 0.00 H ATOM 181 N LYS A 11 5.860 -9.430 30.934 1.00 0.00 N ATOM 182 CA LYS A 11 6.975 -8.524 30.588 1.00 0.00 C ATOM 183 C LYS A 11 6.551 -7.041 30.451 1.00 0.00 C ATOM 184 O LYS A 11 7.076 -6.189 31.174 1.00 0.00 O ATOM 185 CB LYS A 11 7.730 -9.049 29.345 1.00 0.00 C ATOM 186 CG LYS A 11 9.051 -8.293 29.113 1.00 0.00 C ATOM 187 CD LYS A 11 9.890 -8.884 27.969 1.00 0.00 C ATOM 188 CE LYS A 11 9.195 -8.756 26.605 1.00 0.00 C ATOM 189 NZ LYS A 11 10.049 -9.275 25.504 1.00 0.00 N ATOM 190 HA LYS A 11 7.666 -8.530 31.431 1.00 0.00 H ATOM 191 HB2 LYS A 11 7.950 -10.107 29.487 1.00 0.00 H ATOM 192 HB3 LYS A 11 7.094 -8.925 28.468 1.00 0.00 H ATOM 193 HG2 LYS A 11 8.820 -7.255 28.874 1.00 0.00 H ATOM 194 HG3 LYS A 11 9.639 -8.331 30.030 1.00 0.00 H ATOM 195 HD2 LYS A 11 10.844 -8.358 27.927 1.00 0.00 H ATOM 196 HD3 LYS A 11 10.067 -9.940 28.174 1.00 0.00 H ATOM 197 HE2 LYS A 11 8.975 -7.705 26.417 1.00 0.00 H ATOM 198 HE3 LYS A 11 8.264 -9.322 26.628 1.00 0.00 H ATOM 199 HZ1 LYS A 11 10.937 -8.735 25.472 1.00 0.00 H ATOM 200 HZ2 LYS A 11 10.258 -10.280 25.673 1.00 0.00 H ATOM 201 HZ3 LYS A 11 9.547 -9.172 24.599 1.00 0.00 H ATOM 202 H LYS A 11 5.911 -9.882 31.869 1.00 0.00 H ATOM 203 N THR A 12 5.630 -6.731 29.528 1.00 0.00 N ATOM 204 CA THR A 12 5.119 -5.383 29.213 1.00 0.00 C ATOM 205 C THR A 12 3.725 -5.148 29.801 1.00 0.00 C ATOM 206 O THR A 12 3.050 -6.082 30.225 1.00 0.00 O ATOM 207 CB THR A 12 5.106 -5.162 27.690 1.00 0.00 C ATOM 208 OG1 THR A 12 4.402 -6.197 27.043 1.00 0.00 O ATOM 209 CG2 THR A 12 6.523 -5.142 27.118 1.00 0.00 C ATOM 210 HA THR A 12 5.791 -4.659 29.673 1.00 0.00 H ATOM 211 HB THR A 12 4.622 -4.201 27.517 1.00 0.00 H ATOM 212 HG1 THR A 12 3.469 -6.216 27.372 1.00 0.00 H ATOM 213 HG23 THR A 12 7.096 -4.350 27.599 1.00 0.00 H ATOM 214 HG21 THR A 12 7.002 -6.103 27.304 1.00 0.00 H ATOM 215 HG22 THR A 12 6.478 -4.959 26.044 1.00 0.00 H ATOM 216 H THR A 12 5.235 -7.521 28.978 1.00 0.00 H ATOM 217 N VAL A 13 3.297 -3.886 29.791 1.00 0.00 N ATOM 218 CA VAL A 13 1.925 -3.426 30.078 1.00 0.00 C ATOM 219 C VAL A 13 1.418 -2.651 28.855 1.00 0.00 C ATOM 220 O VAL A 13 2.199 -1.942 28.222 1.00 0.00 O ATOM 221 CB VAL A 13 1.866 -2.592 31.383 1.00 0.00 C ATOM 222 CG1 VAL A 13 2.660 -1.275 31.314 1.00 0.00 C ATOM 223 CG2 VAL A 13 0.421 -2.283 31.801 1.00 0.00 C ATOM 224 HA VAL A 13 1.270 -4.279 30.253 1.00 0.00 H ATOM 225 HB VAL A 13 2.339 -3.225 32.134 1.00 0.00 H ATOM 226 HG11 VAL A 13 3.709 -1.495 31.116 1.00 0.00 H ATOM 227 HG12 VAL A 13 2.261 -0.653 30.513 1.00 0.00 H ATOM 228 HG13 VAL A 13 2.570 -0.748 32.264 1.00 0.00 H ATOM 229 HG21 VAL A 13 -0.071 -1.716 31.011 1.00 0.00 H ATOM 230 HG22 VAL A 13 -0.115 -3.217 31.968 1.00 0.00 H ATOM 231 HG23 VAL A 13 0.427 -1.697 32.720 1.00 0.00 H ATOM 232 H VAL A 13 3.998 -3.154 29.558 1.00 0.00 H ATOM 233 N LYS A 14 0.142 -2.819 28.492 1.00 0.00 N ATOM 234 CA LYS A 14 -0.432 -2.318 27.233 1.00 0.00 C ATOM 235 C LYS A 14 -1.773 -1.596 27.446 1.00 0.00 C ATOM 236 O LYS A 14 -2.691 -2.166 28.037 1.00 0.00 O ATOM 237 CB LYS A 14 -0.576 -3.524 26.281 1.00 0.00 C ATOM 238 CG LYS A 14 -0.994 -3.132 24.857 1.00 0.00 C ATOM 239 CD LYS A 14 -1.209 -4.375 23.978 1.00 0.00 C ATOM 240 CE LYS A 14 -1.613 -3.946 22.560 1.00 0.00 C ATOM 241 NZ LYS A 14 -1.899 -5.099 21.668 1.00 0.00 N ATOM 242 HA LYS A 14 0.229 -1.568 26.799 1.00 0.00 H ATOM 243 HB2 LYS A 14 0.383 -4.040 26.230 1.00 0.00 H ATOM 244 HB3 LYS A 14 -1.329 -4.198 26.689 1.00 0.00 H ATOM 245 HG2 LYS A 14 -1.923 -2.564 24.903 1.00 0.00 H ATOM 246 HG3 LYS A 14 -0.213 -2.514 24.414 1.00 0.00 H ATOM 247 HD2 LYS A 14 -0.285 -4.951 23.933 1.00 0.00 H ATOM 248 HD3 LYS A 14 -1.998 -4.991 24.409 1.00 0.00 H ATOM 249 HE2 LYS A 14 -0.799 -3.364 22.127 1.00 0.00 H ATOM 250 HE3 LYS A 14 -2.507 -3.326 22.625 1.00 0.00 H ATOM 251 HZ1 LYS A 14 -1.050 -5.694 21.590 1.00 0.00 H ATOM 252 HZ2 LYS A 14 -2.681 -5.658 22.066 1.00 0.00 H ATOM 253 HZ3 LYS A 14 -2.166 -4.749 20.726 1.00 0.00 H ATOM 254 H LYS A 14 -0.485 -3.337 29.141 1.00 0.00 H ATOM 255 N CYS A 15 -1.916 -0.369 26.941 1.00 0.00 N ATOM 256 CA CYS A 15 -3.149 0.430 27.039 1.00 0.00 C ATOM 257 C CYS A 15 -4.315 -0.169 26.246 1.00 0.00 C ATOM 258 O CYS A 15 -4.132 -0.679 25.137 1.00 0.00 O ATOM 259 CB CYS A 15 -2.850 1.844 26.557 1.00 0.00 C ATOM 260 SG CYS A 15 -4.264 2.971 26.415 1.00 0.00 S ATOM 261 HA CYS A 15 -3.465 0.436 28.082 1.00 0.00 H ATOM 262 HB2 CYS A 15 -2.388 1.767 25.573 1.00 0.00 H ATOM 263 HB3 CYS A 15 -2.141 2.289 27.256 1.00 0.00 H ATOM 264 HG CYS A 15 -3.826 4.202 25.970 1.00 0.00 H ATOM 265 H CYS A 15 -1.103 0.050 26.446 1.00 0.00 H ATOM 266 N PHE A 16 -5.525 -0.095 26.807 1.00 0.00 N ATOM 267 CA PHE A 16 -6.756 -0.555 26.168 1.00 0.00 C ATOM 268 C PHE A 16 -7.346 0.488 25.196 1.00 0.00 C ATOM 269 O PHE A 16 -8.039 0.104 24.253 1.00 0.00 O ATOM 270 CB PHE A 16 -7.788 -0.910 27.254 1.00 0.00 C ATOM 271 CG PHE A 16 -7.449 -1.990 28.276 1.00 0.00 C ATOM 272 CD1 PHE A 16 -6.369 -2.887 28.131 1.00 0.00 C ATOM 273 CD2 PHE A 16 -8.284 -2.108 29.402 1.00 0.00 C ATOM 274 CE1 PHE A 16 -6.131 -3.870 29.111 1.00 0.00 C ATOM 275 CE2 PHE A 16 -8.069 -3.107 30.366 1.00 0.00 C ATOM 276 CZ PHE A 16 -6.982 -3.987 30.225 1.00 0.00 C ATOM 277 HA PHE A 16 -6.512 -1.436 25.574 1.00 0.00 H ATOM 278 HB2 PHE A 16 -7.992 0.004 27.812 1.00 0.00 H ATOM 279 HB3 PHE A 16 -8.694 -1.230 26.740 1.00 0.00 H ATOM 280 HD2 PHE A 16 -9.113 -1.412 29.529 1.00 0.00 H ATOM 281 HE2 PHE A 16 -8.742 -3.199 31.219 1.00 0.00 H ATOM 282 HZ PHE A 16 -6.799 -4.756 30.975 1.00 0.00 H ATOM 283 HE1 PHE A 16 -5.282 -4.545 29.006 1.00 0.00 H ATOM 284 HD1 PHE A 16 -5.718 -2.819 27.259 1.00 0.00 H ATOM 285 H PHE A 16 -5.595 0.316 27.760 1.00 0.00 H ATOM 286 N ASN A 17 -7.088 1.790 25.396 1.00 0.00 N ATOM 287 CA ASN A 17 -7.651 2.860 24.562 1.00 0.00 C ATOM 288 C ASN A 17 -6.878 3.034 23.241 1.00 0.00 C ATOM 289 O ASN A 17 -7.480 2.949 22.169 1.00 0.00 O ATOM 290 CB ASN A 17 -7.716 4.185 25.350 1.00 0.00 C ATOM 291 CG ASN A 17 -8.373 5.321 24.553 1.00 0.00 C ATOM 292 OD1 ASN A 17 -9.120 5.110 23.605 1.00 0.00 O ATOM 293 ND2 ASN A 17 -8.110 6.566 24.901 1.00 0.00 N ATOM 294 HA ASN A 17 -8.667 2.567 24.296 1.00 0.00 H ATOM 295 HB2 ASN A 17 -8.291 4.021 26.261 1.00 0.00 H ATOM 296 HB3 ASN A 17 -6.701 4.485 25.612 1.00 0.00 H ATOM 297 HD22 ASN A 17 -7.478 6.759 25.704 1.00 0.00 H ATOM 298 HD21 ASN A 17 -8.535 7.354 24.373 1.00 0.00 H ATOM 299 H ASN A 17 -6.458 2.054 26.180 1.00 0.00 H ATOM 300 N CYS A 18 -5.562 3.287 23.300 1.00 0.00 N ATOM 301 CA CYS A 18 -4.740 3.563 22.101 1.00 0.00 C ATOM 302 C CYS A 18 -3.927 2.358 21.597 1.00 0.00 C ATOM 303 O CYS A 18 -3.498 2.346 20.439 1.00 0.00 O ATOM 304 CB CYS A 18 -3.837 4.783 22.328 1.00 0.00 C ATOM 305 SG CYS A 18 -2.346 4.539 23.332 1.00 0.00 S ATOM 306 HA CYS A 18 -5.450 3.784 21.304 1.00 0.00 H ATOM 307 HB2 CYS A 18 -4.439 5.550 22.816 1.00 0.00 H ATOM 308 HB3 CYS A 18 -3.518 5.141 21.349 1.00 0.00 H ATOM 309 HG CYS A 18 -1.659 5.732 23.431 1.00 0.00 H ATOM 310 H CYS A 18 -5.098 3.289 24.231 1.00 0.00 H ATOM 311 N GLY A 19 -3.749 1.324 22.431 1.00 0.00 N ATOM 312 CA GLY A 19 -3.093 0.057 22.072 1.00 0.00 C ATOM 313 C GLY A 19 -1.573 0.039 22.258 1.00 0.00 C ATOM 314 O GLY A 19 -0.966 -1.015 22.080 1.00 0.00 O ATOM 315 HA3 GLY A 19 -3.308 -0.150 21.024 1.00 0.00 H ATOM 316 HA2 GLY A 19 -3.519 -0.732 22.692 1.00 0.00 H ATOM 317 H GLY A 19 -4.101 1.425 23.404 1.00 0.00 H ATOM 318 N LYS A 20 -0.936 1.160 22.612 1.00 0.00 N ATOM 319 CA LYS A 20 0.513 1.244 22.819 1.00 0.00 C ATOM 320 C LYS A 20 0.939 0.774 24.229 1.00 0.00 C ATOM 321 O LYS A 20 0.197 0.881 25.212 1.00 0.00 O ATOM 322 CB LYS A 20 0.955 2.681 22.468 1.00 0.00 C ATOM 323 CG LYS A 20 2.346 3.041 22.992 1.00 0.00 C ATOM 324 CD LYS A 20 2.805 4.459 22.639 1.00 0.00 C ATOM 325 CE LYS A 20 4.220 4.723 23.186 1.00 0.00 C ATOM 326 NZ LYS A 20 4.295 4.645 24.673 1.00 0.00 N ATOM 327 HA LYS A 20 1.032 0.551 22.157 1.00 0.00 H ATOM 328 HB2 LYS A 20 0.958 2.785 21.383 1.00 0.00 H ATOM 329 HB3 LYS A 20 0.234 3.378 22.897 1.00 0.00 H ATOM 330 HG2 LYS A 20 2.338 2.945 24.078 1.00 0.00 H ATOM 331 HG3 LYS A 20 3.063 2.335 22.572 1.00 0.00 H ATOM 332 HD2 LYS A 20 2.812 4.574 21.555 1.00 0.00 H ATOM 333 HD3 LYS A 20 2.112 5.179 23.075 1.00 0.00 H ATOM 334 HE2 LYS A 20 4.533 5.720 22.874 1.00 0.00 H ATOM 335 HE3 LYS A 20 4.899 3.982 22.765 1.00 0.00 H ATOM 336 HZ1 LYS A 20 3.658 5.354 25.089 1.00 0.00 H ATOM 337 HZ2 LYS A 20 4.008 3.695 24.984 1.00 0.00 H ATOM 338 HZ3 LYS A 20 5.271 4.832 24.980 1.00 0.00 H ATOM 339 H LYS A 20 -1.501 2.022 22.748 1.00 0.00 H ATOM 340 N GLU A 21 2.165 0.264 24.324 1.00 0.00 N ATOM 341 CA GLU A 21 2.836 -0.153 25.549 1.00 0.00 C ATOM 342 C GLU A 21 3.303 0.970 26.486 1.00 0.00 C ATOM 343 O GLU A 21 3.335 2.161 26.155 1.00 0.00 O ATOM 344 CB GLU A 21 4.015 -1.044 25.164 1.00 0.00 C ATOM 345 CG GLU A 21 3.448 -2.305 24.518 1.00 0.00 C ATOM 346 CD GLU A 21 3.683 -2.357 23.005 1.00 0.00 C ATOM 347 OE1 GLU A 21 3.248 -1.420 22.296 1.00 0.00 O ATOM 348 OE2 GLU A 21 4.304 -3.343 22.541 1.00 0.00 O ATOM 349 HA GLU A 21 2.086 -0.682 26.137 1.00 0.00 H ATOM 350 HB2 GLU A 21 4.661 -0.522 24.458 1.00 0.00 H ATOM 351 HB3 GLU A 21 4.589 -1.307 26.053 1.00 0.00 H ATOM 352 HG2 GLU A 21 3.923 -3.174 24.974 1.00 0.00 H ATOM 353 HG3 GLU A 21 2.375 -2.339 24.705 1.00 0.00 H ATOM 354 H GLU A 21 2.696 0.152 23.437 1.00 0.00 H ATOM 355 N GLY A 22 3.708 0.534 27.679 1.00 0.00 N ATOM 356 CA GLY A 22 4.401 1.338 28.695 1.00 0.00 C ATOM 357 C GLY A 22 3.477 2.121 29.627 1.00 0.00 C ATOM 358 O GLY A 22 3.964 2.868 30.475 1.00 0.00 O ATOM 359 HA3 GLY A 22 5.049 2.049 28.182 1.00 0.00 H ATOM 360 HA2 GLY A 22 5.009 0.668 29.303 1.00 0.00 H ATOM 361 H GLY A 22 3.517 -0.462 27.911 1.00 0.00 H ATOM 362 N HIS A 23 2.160 1.964 29.485 1.00 0.00 N ATOM 363 CA HIS A 23 1.143 2.683 30.243 1.00 0.00 C ATOM 364 C HIS A 23 -0.224 1.956 30.233 1.00 0.00 C ATOM 365 O HIS A 23 -0.408 0.925 29.581 1.00 0.00 O ATOM 366 CB HIS A 23 1.056 4.123 29.691 1.00 0.00 C ATOM 367 CG HIS A 23 0.400 4.228 28.344 1.00 0.00 C ATOM 368 ND1 HIS A 23 0.974 3.938 27.131 1.00 0.00 N ATOM 369 CD2 HIS A 23 -0.897 4.584 28.104 1.00 0.00 C ATOM 370 CE1 HIS A 23 0.042 4.126 26.180 1.00 0.00 C ATOM 371 NE2 HIS A 23 -1.115 4.534 26.724 1.00 0.00 N ATOM 372 HA HIS A 23 1.430 2.719 31.294 1.00 0.00 H ATOM 373 HB2 HIS A 23 0.485 4.726 30.397 1.00 0.00 H ATOM 374 HB3 HIS A 23 2.068 4.520 29.611 1.00 0.00 H ATOM 375 HD2 HIS A 23 -1.634 4.859 28.858 1.00 0.00 H ATOM 376 HE1 HIS A 23 0.204 3.969 25.114 1.00 0.00 H ATOM 377 H HIS A 23 1.833 1.275 28.778 1.00 0.00 H ATOM 378 N ILE A 24 -1.187 2.533 30.957 1.00 0.00 N ATOM 379 CA ILE A 24 -2.591 2.108 31.067 1.00 0.00 C ATOM 380 C ILE A 24 -3.509 3.294 30.745 1.00 0.00 C ATOM 381 O ILE A 24 -3.084 4.442 30.879 1.00 0.00 O ATOM 382 CB ILE A 24 -2.870 1.553 32.488 1.00 0.00 C ATOM 383 CG1 ILE A 24 -2.636 2.608 33.603 1.00 0.00 C ATOM 384 CG2 ILE A 24 -2.026 0.288 32.729 1.00 0.00 C ATOM 385 CD1 ILE A 24 -3.035 2.123 35.001 1.00 0.00 C ATOM 386 HA ILE A 24 -2.790 1.310 30.352 1.00 0.00 H ATOM 387 HB ILE A 24 -3.927 1.293 32.538 1.00 0.00 H ATOM 388 HG12 ILE A 24 -1.577 2.866 33.617 1.00 0.00 H ATOM 389 HG13 ILE A 24 -3.222 3.496 33.366 1.00 0.00 H ATOM 390 HD11 ILE A 24 -4.096 1.871 35.008 1.00 0.00 H ATOM 391 HD12 ILE A 24 -2.449 1.241 35.259 1.00 0.00 H ATOM 392 HD13 ILE A 24 -2.843 2.913 35.727 1.00 0.00 H ATOM 393 HG21 ILE A 24 -2.287 -0.468 31.988 1.00 0.00 H ATOM 394 HG22 ILE A 24 -0.968 0.536 32.640 1.00 0.00 H ATOM 395 HG23 ILE A 24 -2.227 -0.096 33.729 1.00 0.00 H ATOM 396 H ILE A 24 -0.914 3.375 31.503 1.00 0.00 H ATOM 397 N ALA A 25 -4.773 3.061 30.383 1.00 0.00 N ATOM 398 CA ALA A 25 -5.693 4.129 29.975 1.00 0.00 C ATOM 399 C ALA A 25 -5.917 5.222 31.043 1.00 0.00 C ATOM 400 O ALA A 25 -6.165 6.377 30.695 1.00 0.00 O ATOM 401 CB ALA A 25 -7.021 3.483 29.559 1.00 0.00 C ATOM 402 HA ALA A 25 -5.234 4.657 29.139 1.00 0.00 H ATOM 403 HB1 ALA A 25 -6.847 2.800 28.728 1.00 0.00 H ATOM 404 HB2 ALA A 25 -7.436 2.932 30.403 1.00 0.00 H ATOM 405 HB3 ALA A 25 -7.721 4.260 29.251 1.00 0.00 H ATOM 406 H ALA A 25 -5.120 2.081 30.391 1.00 0.00 H ATOM 407 N LYS A 26 -5.776 4.892 32.333 1.00 0.00 N ATOM 408 CA LYS A 26 -5.816 5.847 33.457 1.00 0.00 C ATOM 409 C LYS A 26 -4.655 6.864 33.428 1.00 0.00 C ATOM 410 O LYS A 26 -4.800 8.005 33.868 1.00 0.00 O ATOM 411 CB LYS A 26 -5.805 5.022 34.759 1.00 0.00 C ATOM 412 CG LYS A 26 -6.272 5.823 35.984 1.00 0.00 C ATOM 413 CD LYS A 26 -6.323 4.922 37.227 1.00 0.00 C ATOM 414 CE LYS A 26 -6.929 5.685 38.412 1.00 0.00 C ATOM 415 NZ LYS A 26 -6.956 4.854 39.645 1.00 0.00 N ATOM 416 HA LYS A 26 -6.721 6.450 33.383 1.00 0.00 H ATOM 417 HB2 LYS A 26 -6.466 4.165 34.632 1.00 0.00 H ATOM 418 HB3 LYS A 26 -4.789 4.672 34.940 1.00 0.00 H ATOM 419 HG2 LYS A 26 -5.577 6.643 36.163 1.00 0.00 H ATOM 420 HG3 LYS A 26 -7.266 6.226 35.792 1.00 0.00 H ATOM 421 HD2 LYS A 26 -6.935 4.046 37.012 1.00 0.00 H ATOM 422 HD3 LYS A 26 -5.312 4.604 37.483 1.00 0.00 H ATOM 423 HE2 LYS A 26 -7.948 5.977 38.160 1.00 0.00 H ATOM 424 HE3 LYS A 26 -6.332 6.578 38.600 1.00 0.00 H ATOM 425 HZ1 LYS A 26 -7.529 4.003 39.475 1.00 0.00 H ATOM 426 HZ2 LYS A 26 -5.986 4.576 39.896 1.00 0.00 H ATOM 427 HZ3 LYS A 26 -7.372 5.404 40.423 1.00 0.00 H ATOM 428 H LYS A 26 -5.627 3.888 32.560 1.00 0.00 H ATOM 429 N ASN A 27 -3.511 6.438 32.891 1.00 0.00 N ATOM 430 CA ASN A 27 -2.269 7.203 32.740 1.00 0.00 C ATOM 431 C ASN A 27 -2.127 7.807 31.319 1.00 0.00 C ATOM 432 O ASN A 27 -1.381 8.766 31.109 1.00 0.00 O ATOM 433 CB ASN A 27 -1.138 6.213 33.069 1.00 0.00 C ATOM 434 CG ASN A 27 0.239 6.823 33.308 1.00 0.00 C ATOM 435 OD1 ASN A 27 0.428 8.028 33.425 1.00 0.00 O ATOM 436 ND2 ASN A 27 1.246 5.975 33.422 1.00 0.00 N ATOM 437 HA ASN A 27 -2.246 8.065 33.407 1.00 0.00 H ATOM 438 HB2 ASN A 27 -1.423 5.669 33.970 1.00 0.00 H ATOM 439 HB3 ASN A 27 -1.053 5.515 32.236 1.00 0.00 H ATOM 440 HD22 ASN A 27 1.079 4.953 33.322 1.00 0.00 H ATOM 441 HD21 ASN A 27 2.205 6.329 33.612 1.00 0.00 H ATOM 442 H ASN A 27 -3.498 5.458 32.542 1.00 0.00 H ATOM 443 N CYS A 28 -2.858 7.262 30.337 1.00 0.00 N ATOM 444 CA CYS A 28 -2.879 7.696 28.934 1.00 0.00 C ATOM 445 C CYS A 28 -3.300 9.163 28.728 1.00 0.00 C ATOM 446 O CYS A 28 -4.092 9.714 29.499 1.00 0.00 O ATOM 447 CB CYS A 28 -3.814 6.784 28.137 1.00 0.00 C ATOM 448 SG CYS A 28 -3.714 7.025 26.347 1.00 0.00 S ATOM 449 HA CYS A 28 -1.851 7.624 28.579 1.00 0.00 H ATOM 450 HB2 CYS A 28 -4.838 6.979 28.454 1.00 0.00 H ATOM 451 HB3 CYS A 28 -3.557 5.748 28.360 1.00 0.00 H ATOM 452 HG CYS A 28 -4.589 6.162 25.719 1.00 0.00 H ATOM 453 H CYS A 28 -3.466 6.458 30.592 1.00 0.00 H ATOM 454 N ARG A 29 -2.780 9.769 27.652 1.00 0.00 N ATOM 455 CA ARG A 29 -3.074 11.136 27.195 1.00 0.00 C ATOM 456 C ARG A 29 -3.833 11.185 25.850 1.00 0.00 C ATOM 457 O ARG A 29 -4.156 12.277 25.375 1.00 0.00 O ATOM 458 CB ARG A 29 -1.756 11.930 27.099 1.00 0.00 C ATOM 459 CG ARG A 29 -1.054 12.075 28.461 1.00 0.00 C ATOM 460 CD ARG A 29 0.210 12.936 28.341 1.00 0.00 C ATOM 461 NE ARG A 29 0.909 13.052 29.635 1.00 0.00 N ATOM 462 CZ ARG A 29 0.657 13.923 30.606 1.00 0.00 C ATOM 463 NH1 ARG A 29 -0.303 14.821 30.516 1.00 0.00 N ATOM 464 NH2 ARG A 29 1.382 13.901 31.705 1.00 0.00 N ATOM 465 HA ARG A 29 -3.740 11.588 27.930 1.00 0.00 H ATOM 466 HB2 ARG A 29 -1.085 11.413 26.413 1.00 0.00 H ATOM 467 HB3 ARG A 29 -1.974 12.925 26.710 1.00 0.00 H ATOM 468 HG2 ARG A 29 -1.739 12.544 29.167 1.00 0.00 H ATOM 469 HG3 ARG A 29 -0.778 11.086 28.827 1.00 0.00 H ATOM 470 HD2 ARG A 29 -0.071 13.932 27.999 1.00 0.00 H ATOM 471 HD3 ARG A 29 0.882 12.480 27.614 1.00 0.00 H ATOM 472 HE ARG A 29 1.683 12.379 29.806 1.00 0.00 H ATOM 473 HH12 ARG A 29 -0.468 15.486 31.299 1.00 0.00 H ATOM 474 HH11 ARG A 29 -0.895 14.865 29.662 1.00 0.00 H ATOM 475 HH22 ARG A 29 1.190 14.580 32.469 1.00 0.00 H ATOM 476 HH21 ARG A 29 2.147 13.204 31.809 1.00 0.00 H ATOM 477 H ARG A 29 -2.103 9.220 27.085 1.00 0.00 H ATOM 478 N ALA A 30 -4.123 10.041 25.215 1.00 0.00 N ATOM 479 CA ALA A 30 -4.886 9.971 23.961 1.00 0.00 C ATOM 480 C ALA A 30 -6.371 10.363 24.170 1.00 0.00 C ATOM 481 O ALA A 30 -6.880 10.220 25.290 1.00 0.00 O ATOM 482 CB ALA A 30 -4.749 8.551 23.388 1.00 0.00 C ATOM 483 HA ALA A 30 -4.482 10.691 23.250 1.00 0.00 H ATOM 484 HB1 ALA A 30 -3.697 8.337 23.198 1.00 0.00 H ATOM 485 HB2 ALA A 30 -5.143 7.831 24.106 1.00 0.00 H ATOM 486 HB3 ALA A 30 -5.310 8.481 22.456 1.00 0.00 H ATOM 487 H ALA A 30 -3.788 9.150 25.634 1.00 0.00 H ATOM 488 N PRO A 31 -7.084 10.825 23.120 1.00 0.00 N ATOM 489 CA PRO A 31 -8.504 11.150 23.207 1.00 0.00 C ATOM 490 C PRO A 31 -9.335 9.897 23.511 1.00 0.00 C ATOM 491 O PRO A 31 -9.031 8.797 23.045 1.00 0.00 O ATOM 492 CB PRO A 31 -8.877 11.790 21.865 1.00 0.00 C ATOM 493 CG PRO A 31 -7.846 11.214 20.897 1.00 0.00 C ATOM 494 CD PRO A 31 -6.598 11.081 21.768 1.00 0.00 C ATOM 495 HA PRO A 31 -8.713 11.840 24.025 1.00 0.00 H ATOM 496 HD3 PRO A 31 -5.980 10.252 21.423 1.00 0.00 H ATOM 497 HD2 PRO A 31 -6.016 12.002 21.741 1.00 0.00 H ATOM 498 HG3 PRO A 31 -7.671 11.891 20.061 1.00 0.00 H ATOM 499 HG2 PRO A 31 -8.164 10.244 20.516 1.00 0.00 H ATOM 500 HB2 PRO A 31 -9.888 11.512 21.568 1.00 0.00 H ATOM 501 HB3 PRO A 31 -8.800 12.876 21.916 1.00 0.00 H ATOM 502 N ARG A 32 -10.385 10.078 24.318 1.00 0.00 N ATOM 503 CA ARG A 32 -11.245 8.999 24.812 1.00 0.00 C ATOM 504 C ARG A 32 -12.507 8.875 23.948 1.00 0.00 C ATOM 505 O ARG A 32 -13.146 9.866 23.589 1.00 0.00 O ATOM 506 CB ARG A 32 -11.552 9.202 26.306 1.00 0.00 C ATOM 507 CG ARG A 32 -10.265 9.354 27.140 1.00 0.00 C ATOM 508 CD ARG A 32 -10.543 9.392 28.648 1.00 0.00 C ATOM 509 NE ARG A 32 -9.309 9.623 29.427 1.00 0.00 N ATOM 510 CZ ARG A 32 -8.316 8.766 29.650 1.00 0.00 C ATOM 511 NH1 ARG A 32 -8.292 7.548 29.156 1.00 0.00 N ATOM 512 NH2 ARG A 32 -7.296 9.114 30.401 1.00 0.00 N ATOM 513 HA ARG A 32 -10.719 8.048 24.726 1.00 0.00 H ATOM 514 HB2 ARG A 32 -12.157 10.101 26.423 1.00 0.00 H ATOM 515 HB3 ARG A 32 -12.110 8.340 26.672 1.00 0.00 H ATOM 516 HG2 ARG A 32 -9.608 8.511 26.927 1.00 0.00 H ATOM 517 HG3 ARG A 32 -9.769 10.281 26.852 1.00 0.00 H ATOM 518 HD2 ARG A 32 -10.979 8.440 28.951 1.00 0.00 H ATOM 519 HD3 ARG A 32 -11.248 10.196 28.857 1.00 0.00 H ATOM 520 HE ARG A 32 -9.204 10.567 29.851 1.00 0.00 H ATOM 521 HH12 ARG A 32 -7.490 6.919 29.362 1.00 0.00 H ATOM 522 HH11 ARG A 32 -9.075 7.214 28.559 1.00 0.00 H ATOM 523 HH22 ARG A 32 -6.522 8.440 30.572 1.00 0.00 H ATOM 524 HH21 ARG A 32 -7.262 10.063 30.824 1.00 0.00 H ATOM 525 H ARG A 32 -10.607 11.050 24.615 1.00 0.00 H ATOM 526 N LYS A 33 -12.823 7.633 23.583 1.00 0.00 N ATOM 527 CA LYS A 33 -13.853 7.254 22.601 1.00 0.00 C ATOM 528 C LYS A 33 -15.303 7.545 23.060 1.00 0.00 C ATOM 529 O LYS A 33 -15.554 7.938 24.199 1.00 0.00 O ATOM 530 CB LYS A 33 -13.638 5.762 22.255 1.00 0.00 C ATOM 531 CG LYS A 33 -12.306 5.528 21.518 1.00 0.00 C ATOM 532 CD LYS A 33 -12.076 4.045 21.194 1.00 0.00 C ATOM 533 CE LYS A 33 -10.908 3.843 20.214 1.00 0.00 C ATOM 534 NZ LYS A 33 -9.604 4.311 20.755 1.00 0.00 N ATOM 535 HA LYS A 33 -13.736 7.877 21.714 1.00 0.00 H ATOM 536 HB2 LYS A 33 -13.636 5.183 23.178 1.00 0.00 H ATOM 537 HB3 LYS A 33 -14.457 5.426 21.618 1.00 0.00 H ATOM 538 HG2 LYS A 33 -12.316 6.094 20.586 1.00 0.00 H ATOM 539 HG3 LYS A 33 -11.489 5.881 22.148 1.00 0.00 H ATOM 540 HD2 LYS A 33 -11.855 3.513 22.119 1.00 0.00 H ATOM 541 HD3 LYS A 33 -12.984 3.637 20.749 1.00 0.00 H ATOM 542 HE2 LYS A 33 -11.123 4.396 19.299 1.00 0.00 H ATOM 543 HE3 LYS A 33 -10.827 2.780 19.984 1.00 0.00 H ATOM 544 HZ1 LYS A 33 -9.664 5.327 20.970 1.00 0.00 H ATOM 545 HZ2 LYS A 33 -9.381 3.784 21.624 1.00 0.00 H ATOM 546 HZ3 LYS A 33 -8.858 4.148 20.049 1.00 0.00 H ATOM 547 H LYS A 33 -12.293 6.860 24.033 1.00 0.00 H ATOM 548 N LYS A 34 -16.283 7.280 22.188 1.00 0.00 N ATOM 549 CA LYS A 34 -17.727 7.313 22.509 1.00 0.00 C ATOM 550 C LYS A 34 -18.260 5.972 23.071 1.00 0.00 C ATOM 551 O LYS A 34 -19.466 5.706 23.064 1.00 0.00 O ATOM 552 CB LYS A 34 -18.506 7.790 21.264 1.00 0.00 C ATOM 553 CG LYS A 34 -18.130 9.220 20.842 1.00 0.00 C ATOM 554 CD LYS A 34 -18.985 9.685 19.655 1.00 0.00 C ATOM 555 CE LYS A 34 -18.595 11.115 19.253 1.00 0.00 C ATOM 556 NZ LYS A 34 -19.405 11.604 18.108 1.00 0.00 N ATOM 557 HA LYS A 34 -17.883 8.024 23.320 1.00 0.00 H ATOM 558 HB2 LYS A 34 -18.290 7.114 20.437 1.00 0.00 H ATOM 559 HB3 LYS A 34 -19.573 7.761 21.487 1.00 0.00 H ATOM 560 HG2 LYS A 34 -18.290 9.894 21.683 1.00 0.00 H ATOM 561 HG3 LYS A 34 -17.079 9.243 20.555 1.00 0.00 H ATOM 562 HD2 LYS A 34 -18.824 9.016 18.810 1.00 0.00 H ATOM 563 HD3 LYS A 34 -20.037 9.664 19.938 1.00 0.00 H ATOM 564 HE2 LYS A 34 -17.542 11.129 18.972 1.00 0.00 H ATOM 565 HE3 LYS A 34 -18.751 11.777 20.105 1.00 0.00 H ATOM 566 HZ1 LYS A 34 -19.256 10.981 17.289 1.00 0.00 H ATOM 567 HZ2 LYS A 34 -20.411 11.600 18.370 1.00 0.00 H ATOM 568 HZ3 LYS A 34 -19.112 12.572 17.866 1.00 0.00 H ATOM 569 H LYS A 34 -16.010 7.033 21.215 1.00 0.00 H ATOM 570 N GLY A 35 -17.354 5.106 23.535 1.00 0.00 N ATOM 571 CA GLY A 35 -17.638 3.745 23.999 1.00 0.00 C ATOM 572 C GLY A 35 -16.493 3.069 24.749 1.00 0.00 C ATOM 573 O GLY A 35 -15.399 3.615 24.896 1.00 0.00 O ATOM 574 HA3 GLY A 35 -17.881 3.134 23.129 1.00 0.00 H ATOM 575 HA2 GLY A 35 -18.501 3.787 24.664 1.00 0.00 H ATOM 576 H GLY A 35 -16.365 5.424 23.570 1.00 0.00 H ATOM 577 N CYS A 36 -16.782 1.860 25.216 1.00 0.00 N ATOM 578 CA CYS A 36 -15.927 0.988 26.023 1.00 0.00 C ATOM 579 C CYS A 36 -14.611 0.608 25.338 1.00 0.00 C ATOM 580 O CYS A 36 -14.594 0.279 24.150 1.00 0.00 O ATOM 581 CB CYS A 36 -16.751 -0.260 26.318 1.00 0.00 C ATOM 582 SG CYS A 36 -15.976 -1.563 27.303 1.00 0.00 S ATOM 583 HA CYS A 36 -15.629 1.518 26.928 1.00 0.00 H ATOM 584 HB2 CYS A 36 -17.033 -0.699 25.361 1.00 0.00 H ATOM 585 HB3 CYS A 36 -17.648 0.059 26.848 1.00 0.00 H ATOM 586 HG CYS A 36 -16.866 -2.605 27.466 1.00 0.00 H ATOM 587 H CYS A 36 -17.725 1.490 24.981 1.00 0.00 H ATOM 588 N TRP A 37 -13.502 0.603 26.083 1.00 0.00 N ATOM 589 CA TRP A 37 -12.209 0.101 25.604 1.00 0.00 C ATOM 590 C TRP A 37 -12.066 -1.429 25.742 1.00 0.00 C ATOM 591 O TRP A 37 -11.199 -2.020 25.096 1.00 0.00 O ATOM 592 CB TRP A 37 -11.075 0.804 26.365 1.00 0.00 C ATOM 593 CG TRP A 37 -11.087 2.303 26.392 1.00 0.00 C ATOM 594 CD1 TRP A 37 -11.322 3.127 25.345 1.00 0.00 C ATOM 595 CD2 TRP A 37 -10.872 3.176 27.542 1.00 0.00 C ATOM 596 NE1 TRP A 37 -11.278 4.441 25.770 1.00 0.00 N ATOM 597 CE2 TRP A 37 -11.023 4.527 27.118 1.00 0.00 C ATOM 598 CE3 TRP A 37 -10.602 2.963 28.909 1.00 0.00 C ATOM 599 CZ2 TRP A 37 -10.950 5.605 28.009 1.00 0.00 C ATOM 600 CZ3 TRP A 37 -10.542 4.035 29.818 1.00 0.00 C ATOM 601 CH2 TRP A 37 -10.733 5.356 29.373 1.00 0.00 C ATOM 602 HA TRP A 37 -12.150 0.325 24.539 1.00 0.00 H ATOM 603 HB2 TRP A 37 -11.111 0.458 27.398 1.00 0.00 H ATOM 604 HB3 TRP A 37 -10.134 0.493 25.911 1.00 0.00 H ATOM 605 HE1 TRP A 37 -11.420 5.262 25.148 1.00 0.00 H ATOM 606 HD1 TRP A 37 -11.516 2.804 24.322 1.00 0.00 H ATOM 607 HZ2 TRP A 37 -11.061 6.627 27.647 1.00 0.00 H ATOM 608 HH2 TRP A 37 -10.713 6.182 30.084 1.00 0.00 H ATOM 609 HZ3 TRP A 37 -10.347 3.841 30.873 1.00 0.00 H ATOM 610 HE3 TRP A 37 -10.436 1.948 29.269 1.00 0.00 H ATOM 611 H TRP A 37 -13.558 0.974 27.053 1.00 0.00 H ATOM 612 N LYS A 38 -12.891 -2.080 26.575 1.00 0.00 N ATOM 613 CA LYS A 38 -12.794 -3.515 26.884 1.00 0.00 C ATOM 614 C LYS A 38 -13.631 -4.407 25.941 1.00 0.00 C ATOM 615 O LYS A 38 -13.162 -5.486 25.570 1.00 0.00 O ATOM 616 CB LYS A 38 -13.112 -3.711 28.381 1.00 0.00 C ATOM 617 CG LYS A 38 -12.930 -5.168 28.838 1.00 0.00 C ATOM 618 CD LYS A 38 -12.917 -5.320 30.368 1.00 0.00 C ATOM 619 CE LYS A 38 -14.198 -4.867 31.085 1.00 0.00 C ATOM 620 NZ LYS A 38 -15.382 -5.695 30.735 1.00 0.00 N ATOM 621 HA LYS A 38 -11.775 -3.854 26.697 1.00 0.00 H ATOM 622 HB2 LYS A 38 -12.447 -3.076 28.966 1.00 0.00 H ATOM 623 HB3 LYS A 38 -14.146 -3.415 28.560 1.00 0.00 H ATOM 624 HG2 LYS A 38 -13.750 -5.763 28.436 1.00 0.00 H ATOM 625 HG3 LYS A 38 -11.985 -5.541 28.443 1.00 0.00 H ATOM 626 HD2 LYS A 38 -12.755 -6.373 30.601 1.00 0.00 H ATOM 627 HD3 LYS A 38 -12.087 -4.731 30.758 1.00 0.00 H ATOM 628 HE2 LYS A 38 -14.403 -3.832 30.810 1.00 0.00 H ATOM 629 HE3 LYS A 38 -14.035 -4.930 32.161 1.00 0.00 H ATOM 630 HZ1 LYS A 38 -15.554 -5.636 29.711 1.00 0.00 H ATOM 631 HZ2 LYS A 38 -15.203 -6.684 31.001 1.00 0.00 H ATOM 632 HZ3 LYS A 38 -16.215 -5.342 31.249 1.00 0.00 H ATOM 633 H LYS A 38 -13.649 -1.535 27.033 1.00 0.00 H ATOM 634 N CYS A 39 -14.818 -3.963 25.504 1.00 0.00 N ATOM 635 CA CYS A 39 -15.623 -4.661 24.466 1.00 0.00 C ATOM 636 C CYS A 39 -15.827 -3.888 23.150 1.00 0.00 C ATOM 637 O CYS A 39 -16.112 -4.508 22.121 1.00 0.00 O ATOM 638 CB CYS A 39 -16.984 -5.110 25.016 1.00 0.00 C ATOM 639 SG CYS A 39 -18.271 -3.837 25.163 1.00 0.00 S ATOM 640 HA CYS A 39 -15.013 -5.527 24.209 1.00 0.00 H ATOM 641 HB2 CYS A 39 -16.817 -5.526 26.009 1.00 0.00 H ATOM 642 HB3 CYS A 39 -17.365 -5.889 24.356 1.00 0.00 H ATOM 643 HG CYS A 39 -17.835 -2.841 26.013 1.00 0.00 H ATOM 644 H CYS A 39 -15.196 -3.084 25.912 1.00 0.00 H ATOM 645 N GLY A 40 -15.651 -2.559 23.147 1.00 0.00 N ATOM 646 CA GLY A 40 -15.773 -1.698 21.957 1.00 0.00 C ATOM 647 C GLY A 40 -17.152 -1.056 21.760 1.00 0.00 C ATOM 648 O GLY A 40 -17.283 -0.171 20.912 1.00 0.00 O ATOM 649 HA3 GLY A 40 -15.553 -2.303 21.078 1.00 0.00 H ATOM 650 HA2 GLY A 40 -15.036 -0.899 22.041 1.00 0.00 H ATOM 651 H GLY A 40 -15.411 -2.102 24.050 1.00 0.00 H ATOM 652 N LYS A 41 -18.183 -1.473 22.503 1.00 0.00 N ATOM 653 CA LYS A 41 -19.561 -0.976 22.340 1.00 0.00 C ATOM 654 C LYS A 41 -19.788 0.402 23.000 1.00 0.00 C ATOM 655 O LYS A 41 -19.113 0.772 23.965 1.00 0.00 O ATOM 656 CB LYS A 41 -20.559 -2.016 22.880 1.00 0.00 C ATOM 657 CG LYS A 41 -20.485 -3.370 22.157 1.00 0.00 C ATOM 658 CD LYS A 41 -21.473 -4.362 22.788 1.00 0.00 C ATOM 659 CE LYS A 41 -21.305 -5.786 22.239 1.00 0.00 C ATOM 660 NZ LYS A 41 -21.699 -5.903 20.809 1.00 0.00 N ATOM 661 HA LYS A 41 -19.729 -0.831 21.273 1.00 0.00 H ATOM 662 HB2 LYS A 41 -20.351 -2.178 23.938 1.00 0.00 H ATOM 663 HB3 LYS A 41 -21.567 -1.618 22.766 1.00 0.00 H ATOM 664 HG2 LYS A 41 -20.736 -3.231 21.105 1.00 0.00 H ATOM 665 HG3 LYS A 41 -19.473 -3.767 22.239 1.00 0.00 H ATOM 666 HD2 LYS A 41 -21.310 -4.381 23.866 1.00 0.00 H ATOM 667 HD3 LYS A 41 -22.489 -4.024 22.581 1.00 0.00 H ATOM 668 HE2 LYS A 41 -21.925 -6.462 22.828 1.00 0.00 H ATOM 669 HE3 LYS A 41 -20.259 -6.076 22.337 1.00 0.00 H ATOM 670 HZ1 LYS A 41 -22.699 -5.637 20.703 1.00 0.00 H ATOM 671 HZ2 LYS A 41 -21.108 -5.269 20.235 1.00 0.00 H ATOM 672 HZ3 LYS A 41 -21.565 -6.885 20.493 1.00 0.00 H ATOM 673 H LYS A 41 -18.002 -2.188 23.237 1.00 0.00 H ATOM 674 N GLU A 42 -20.749 1.168 22.479 1.00 0.00 N ATOM 675 CA GLU A 42 -21.082 2.519 22.950 1.00 0.00 C ATOM 676 C GLU A 42 -21.925 2.538 24.243 1.00 0.00 C ATOM 677 O GLU A 42 -22.498 1.525 24.655 1.00 0.00 O ATOM 678 CB GLU A 42 -21.766 3.314 21.819 1.00 0.00 C ATOM 679 CG GLU A 42 -23.146 2.775 21.413 1.00 0.00 C ATOM 680 CD GLU A 42 -23.741 3.604 20.264 1.00 0.00 C ATOM 681 OE1 GLU A 42 -23.495 3.266 19.081 1.00 0.00 O ATOM 682 OE2 GLU A 42 -24.464 4.592 20.534 1.00 0.00 O ATOM 683 HA GLU A 42 -20.142 3.002 23.217 1.00 0.00 H ATOM 684 HB2 GLU A 42 -21.886 4.345 22.151 1.00 0.00 H ATOM 685 HB3 GLU A 42 -21.118 3.288 20.943 1.00 0.00 H ATOM 686 HG2 GLU A 42 -23.044 1.739 21.091 1.00 0.00 H ATOM 687 HG3 GLU A 42 -23.815 2.823 22.272 1.00 0.00 H ATOM 688 H GLU A 42 -21.300 0.782 21.686 1.00 0.00 H ATOM 689 N GLY A 43 -22.014 3.717 24.874 1.00 0.00 N ATOM 690 CA GLY A 43 -22.963 4.010 25.960 1.00 0.00 C ATOM 691 C GLY A 43 -22.545 3.635 27.385 1.00 0.00 C ATOM 692 O GLY A 43 -23.354 3.813 28.295 1.00 0.00 O ATOM 693 HA3 GLY A 43 -23.887 3.476 25.739 1.00 0.00 H ATOM 694 HA2 GLY A 43 -23.153 5.083 25.947 1.00 0.00 H ATOM 695 H GLY A 43 -21.369 4.476 24.576 1.00 0.00 H ATOM 696 N HIS A 44 -21.323 3.145 27.617 1.00 0.00 N ATOM 697 CA HIS A 44 -20.843 2.768 28.952 1.00 0.00 C ATOM 698 C HIS A 44 -19.308 2.886 29.124 1.00 0.00 C ATOM 699 O HIS A 44 -18.547 2.874 28.151 1.00 0.00 O ATOM 700 CB HIS A 44 -21.366 1.356 29.288 1.00 0.00 C ATOM 701 CG HIS A 44 -20.806 0.237 28.451 1.00 0.00 C ATOM 702 ND1 HIS A 44 -21.344 -0.259 27.290 1.00 0.00 N ATOM 703 CD2 HIS A 44 -19.695 -0.510 28.726 1.00 0.00 C ATOM 704 CE1 HIS A 44 -20.572 -1.282 26.878 1.00 0.00 C ATOM 705 NE2 HIS A 44 -19.544 -1.474 27.719 1.00 0.00 N ATOM 706 HA HIS A 44 -21.244 3.486 29.668 1.00 0.00 H ATOM 707 HB2 HIS A 44 -21.125 1.148 30.330 1.00 0.00 H ATOM 708 HB3 HIS A 44 -22.449 1.360 29.161 1.00 0.00 H ATOM 709 HD2 HIS A 44 -19.036 -0.378 29.585 1.00 0.00 H ATOM 710 HE1 HIS A 44 -20.757 -1.875 25.982 1.00 0.00 H ATOM 711 H HIS A 44 -20.679 3.025 26.809 1.00 0.00 H ATOM 712 N GLN A 45 -18.864 2.984 30.383 1.00 0.00 N ATOM 713 CA GLN A 45 -17.459 2.874 30.788 1.00 0.00 C ATOM 714 C GLN A 45 -17.155 1.413 31.149 1.00 0.00 C ATOM 715 O GLN A 45 -18.019 0.703 31.666 1.00 0.00 O ATOM 716 CB GLN A 45 -17.177 3.768 32.010 1.00 0.00 C ATOM 717 CG GLN A 45 -17.183 5.274 31.691 1.00 0.00 C ATOM 718 CD GLN A 45 -16.781 6.141 32.895 1.00 0.00 C ATOM 719 OE1 GLN A 45 -16.686 5.690 34.032 1.00 0.00 O ATOM 720 NE2 GLN A 45 -16.524 7.422 32.723 1.00 0.00 N ATOM 721 HA GLN A 45 -16.826 3.199 29.962 1.00 0.00 H ATOM 722 HB2 GLN A 45 -17.941 3.573 32.763 1.00 0.00 H ATOM 723 HB3 GLN A 45 -16.198 3.505 32.410 1.00 0.00 H ATOM 724 HG2 GLN A 45 -16.482 5.461 30.878 1.00 0.00 H ATOM 725 HG3 GLN A 45 -18.187 5.559 31.376 1.00 0.00 H ATOM 726 HE22 GLN A 45 -16.593 7.843 31.775 1.00 0.00 H ATOM 727 HE21 GLN A 45 -16.252 8.011 33.536 1.00 0.00 H ATOM 728 H GLN A 45 -19.568 3.151 31.130 1.00 0.00 H ATOM 729 N MET A 46 -15.921 0.955 30.924 1.00 0.00 N ATOM 730 CA MET A 46 -15.567 -0.467 31.037 1.00 0.00 C ATOM 731 C MET A 46 -15.643 -1.073 32.456 1.00 0.00 C ATOM 732 O MET A 46 -15.591 -2.294 32.592 1.00 0.00 O ATOM 733 CB MET A 46 -14.213 -0.706 30.364 1.00 0.00 C ATOM 734 CG MET A 46 -13.053 0.025 31.031 1.00 0.00 C ATOM 735 SD MET A 46 -11.455 -0.495 30.386 1.00 0.00 S ATOM 736 CE MET A 46 -10.382 0.356 31.565 1.00 0.00 C ATOM 737 HA MET A 46 -16.347 -1.017 30.510 1.00 0.00 H ATOM 738 HB2 MET A 46 -14.003 -1.775 30.386 1.00 0.00 H ATOM 739 HB3 MET A 46 -14.280 -0.371 29.329 1.00 0.00 H ATOM 740 HG2 MET A 46 -13.081 -0.176 32.102 1.00 0.00 H ATOM 741 HG3 MET A 46 -13.169 1.095 30.860 1.00 0.00 H ATOM 742 HE1 MET A 46 -10.563 1.429 31.510 1.00 0.00 H ATOM 743 HE2 MET A 46 -10.598 0.001 32.573 1.00 0.00 H ATOM 744 HE3 MET A 46 -9.340 0.149 31.321 1.00 0.00 H ATOM 745 H MET A 46 -15.179 1.633 30.658 1.00 0.00 H ATOM 746 N LYS A 47 -15.813 -0.268 33.513 1.00 0.00 N ATOM 747 CA LYS A 47 -16.138 -0.759 34.867 1.00 0.00 C ATOM 748 C LYS A 47 -17.630 -1.106 35.064 1.00 0.00 C ATOM 749 O LYS A 47 -17.960 -1.885 35.959 1.00 0.00 O ATOM 750 CB LYS A 47 -15.655 0.222 35.951 1.00 0.00 C ATOM 751 CG LYS A 47 -16.014 1.694 35.709 1.00 0.00 C ATOM 752 CD LYS A 47 -15.707 2.557 36.940 1.00 0.00 C ATOM 753 CE LYS A 47 -16.063 4.021 36.657 1.00 0.00 C ATOM 754 NZ LYS A 47 -15.536 4.937 37.702 1.00 0.00 N ATOM 755 HA LYS A 47 -15.594 -1.697 34.975 1.00 0.00 H ATOM 756 HB2 LYS A 47 -16.096 -0.081 36.901 1.00 0.00 H ATOM 757 HB3 LYS A 47 -14.570 0.146 36.015 1.00 0.00 H ATOM 758 HG2 LYS A 47 -15.436 2.065 34.863 1.00 0.00 H ATOM 759 HG3 LYS A 47 -17.077 1.767 35.481 1.00 0.00 H ATOM 760 HD2 LYS A 47 -16.293 2.200 37.787 1.00 0.00 H ATOM 761 HD3 LYS A 47 -14.646 2.483 37.177 1.00 0.00 H ATOM 762 HE2 LYS A 47 -17.148 4.118 36.619 1.00 0.00 H ATOM 763 HE3 LYS A 47 -15.640 4.306 35.694 1.00 0.00 H ATOM 764 HZ1 LYS A 47 -15.940 4.677 38.625 1.00 0.00 H ATOM 765 HZ2 LYS A 47 -14.500 4.857 37.741 1.00 0.00 H ATOM 766 HZ3 LYS A 47 -15.801 5.915 37.469 1.00 0.00 H ATOM 767 H LYS A 47 -15.711 0.757 33.372 1.00 0.00 H ATOM 768 N ASP A 48 -18.528 -0.574 34.228 1.00 0.00 N ATOM 769 CA ASP A 48 -19.948 -0.966 34.168 1.00 0.00 C ATOM 770 C ASP A 48 -20.163 -2.209 33.275 1.00 0.00 C ATOM 771 O ASP A 48 -21.215 -2.847 33.313 1.00 0.00 O ATOM 772 CB ASP A 48 -20.762 0.236 33.664 1.00 0.00 C ATOM 773 CG ASP A 48 -22.281 0.018 33.777 1.00 0.00 C ATOM 774 OD1 ASP A 48 -22.784 -0.122 34.917 1.00 0.00 O ATOM 775 OD2 ASP A 48 -22.970 0.036 32.728 1.00 0.00 O ATOM 776 HA ASP A 48 -20.287 -1.247 35.165 1.00 0.00 H ATOM 777 HB2 ASP A 48 -20.491 1.112 34.253 1.00 0.00 H ATOM 778 HB3 ASP A 48 -20.512 0.412 32.618 1.00 0.00 H ATOM 779 H ASP A 48 -18.202 0.167 33.575 1.00 0.00 H ATOM 780 N CYS A 49 -19.144 -2.575 32.490 1.00 0.00 N ATOM 781 CA CYS A 49 -19.097 -3.743 31.606 1.00 0.00 C ATOM 782 C CYS A 49 -18.842 -5.047 32.389 1.00 0.00 C ATOM 783 O CYS A 49 -17.759 -5.642 32.327 1.00 0.00 O ATOM 784 CB CYS A 49 -18.046 -3.459 30.528 1.00 0.00 C ATOM 785 SG CYS A 49 -18.009 -4.600 29.129 1.00 0.00 S ATOM 786 HA CYS A 49 -20.062 -3.904 31.126 1.00 0.00 H ATOM 787 HB2 CYS A 49 -17.066 -3.485 31.004 1.00 0.00 H ATOM 788 HB3 CYS A 49 -18.233 -2.459 30.137 1.00 0.00 H ATOM 789 HG CYS A 49 -17.017 -4.215 28.250 1.00 0.00 H ATOM 790 H CYS A 49 -18.299 -1.969 32.509 1.00 0.00 H ATOM 791 N THR A 50 -19.840 -5.462 33.183 1.00 0.00 N ATOM 792 CA THR A 50 -19.802 -6.633 34.085 1.00 0.00 C ATOM 793 C THR A 50 -20.679 -7.803 33.630 1.00 0.00 C ATOM 794 O THR A 50 -20.519 -8.910 34.146 1.00 0.00 O ATOM 795 CB THR A 50 -20.228 -6.215 35.500 1.00 0.00 C ATOM 796 OG1 THR A 50 -21.511 -5.626 35.439 1.00 0.00 O ATOM 797 CG2 THR A 50 -19.252 -5.211 36.116 1.00 0.00 C ATOM 798 HA THR A 50 -18.771 -6.986 34.068 1.00 0.00 H ATOM 799 HB THR A 50 -20.236 -7.107 36.126 1.00 0.00 H ATOM 800 HG1 THR A 50 -21.480 -4.831 34.850 1.00 0.00 H ATOM 801 HG23 THR A 50 -18.259 -5.657 36.167 1.00 0.00 H ATOM 802 HG21 THR A 50 -19.218 -4.314 35.498 1.00 0.00 H ATOM 803 HG22 THR A 50 -19.587 -4.950 37.120 1.00 0.00 H ATOM 804 H THR A 50 -20.721 -4.910 33.162 1.00 0.00 H ATOM 805 N GLU A 51 -21.599 -7.584 32.686 1.00 0.00 N ATOM 806 CA GLU A 51 -22.566 -8.589 32.224 1.00 0.00 C ATOM 807 C GLU A 51 -21.932 -9.724 31.395 1.00 0.00 C ATOM 808 O GLU A 51 -20.909 -9.543 30.726 1.00 0.00 O ATOM 809 CB GLU A 51 -23.732 -7.915 31.476 1.00 0.00 C ATOM 810 CG GLU A 51 -23.336 -7.215 30.167 1.00 0.00 C ATOM 811 CD GLU A 51 -24.560 -6.550 29.516 1.00 0.00 C ATOM 812 OE1 GLU A 51 -24.859 -5.377 29.841 1.00 0.00 O ATOM 813 OE2 GLU A 51 -25.232 -7.195 28.676 1.00 0.00 O ATOM 814 HA GLU A 51 -22.960 -9.075 33.117 1.00 0.00 H ATOM 815 HB2 GLU A 51 -24.473 -8.680 31.242 1.00 0.00 H ATOM 816 HB3 GLU A 51 -24.176 -7.172 32.138 1.00 0.00 H ATOM 817 HG2 GLU A 51 -22.586 -6.454 30.381 1.00 0.00 H ATOM 818 HG3 GLU A 51 -22.920 -7.951 29.479 1.00 0.00 H ATOM 819 H GLU A 51 -21.633 -6.640 32.250 1.00 0.00 H ATOM 820 N ARG A 52 -22.566 -10.903 31.428 1.00 0.00 N ATOM 821 CA ARG A 52 -22.133 -12.109 30.704 1.00 0.00 C ATOM 822 C ARG A 52 -22.378 -11.999 29.189 1.00 0.00 C ATOM 823 O ARG A 52 -23.317 -11.335 28.741 1.00 0.00 O ATOM 824 CB ARG A 52 -22.849 -13.353 31.266 1.00 0.00 C ATOM 825 CG ARG A 52 -22.481 -13.636 32.732 1.00 0.00 C ATOM 826 CD ARG A 52 -23.179 -14.906 33.236 1.00 0.00 C ATOM 827 NE ARG A 52 -22.866 -15.170 34.653 1.00 0.00 N ATOM 828 CZ ARG A 52 -21.809 -15.820 35.133 1.00 0.00 C ATOM 829 NH1 ARG A 52 -20.874 -16.319 34.350 1.00 0.00 N ATOM 830 NH2 ARG A 52 -21.680 -15.977 36.433 1.00 0.00 N ATOM 831 HA ARG A 52 -21.058 -12.207 30.854 1.00 0.00 H ATOM 832 HB2 ARG A 52 -23.926 -13.196 31.200 1.00 0.00 H ATOM 833 HB3 ARG A 52 -22.572 -14.218 30.663 1.00 0.00 H ATOM 834 HG2 ARG A 52 -21.402 -13.766 32.811 1.00 0.00 H ATOM 835 HG3 ARG A 52 -22.789 -12.791 33.347 1.00 0.00 H ATOM 836 HD2 ARG A 52 -22.848 -15.754 32.636 1.00 0.00 H ATOM 837 HD3 ARG A 52 -24.257 -14.785 33.128 1.00 0.00 H ATOM 838 HE ARG A 52 -23.545 -14.809 35.353 1.00 0.00 H ATOM 839 HH12 ARG A 52 -20.063 -16.821 34.764 1.00 0.00 H ATOM 840 HH11 ARG A 52 -20.948 -16.211 33.318 1.00 0.00 H ATOM 841 HH22 ARG A 52 -20.857 -16.484 36.816 1.00 0.00 H ATOM 842 HH21 ARG A 52 -22.401 -15.594 37.077 1.00 0.00 H ATOM 843 H ARG A 52 -23.427 -10.971 32.007 1.00 0.00 H ATOM 844 N GLN A 53 -21.556 -12.695 28.401 1.00 0.00 N ATOM 845 CA GLN A 53 -21.756 -12.876 26.956 1.00 0.00 C ATOM 846 C GLN A 53 -22.831 -13.947 26.675 1.00 0.00 C ATOM 847 O GLN A 53 -23.151 -14.766 27.542 1.00 0.00 O ATOM 848 CB GLN A 53 -20.421 -13.253 26.285 1.00 0.00 C ATOM 849 CG GLN A 53 -19.368 -12.133 26.370 1.00 0.00 C ATOM 850 CD GLN A 53 -18.062 -12.523 25.673 1.00 0.00 C ATOM 851 OE1 GLN A 53 -17.086 -12.924 26.296 1.00 0.00 O ATOM 852 NE2 GLN A 53 -17.991 -12.442 24.358 1.00 0.00 N ATOM 853 HA GLN A 53 -22.109 -11.935 26.534 1.00 0.00 H ATOM 854 HB2 GLN A 53 -20.024 -14.142 26.776 1.00 0.00 H ATOM 855 HB3 GLN A 53 -20.610 -13.474 25.234 1.00 0.00 H ATOM 856 HG2 GLN A 53 -19.767 -11.237 25.895 1.00 0.00 H ATOM 857 HG3 GLN A 53 -19.159 -11.924 27.419 1.00 0.00 H ATOM 858 HE22 GLN A 53 -18.810 -12.104 23.813 1.00 0.00 H ATOM 859 HE21 GLN A 53 -17.116 -12.716 23.867 1.00 0.00 H ATOM 860 H GLN A 53 -20.722 -13.137 28.837 1.00 0.00 H ATOM 861 N ALA A 54 -23.371 -13.960 25.450 1.00 0.00 N ATOM 862 CA ALA A 54 -24.415 -14.884 24.993 1.00 0.00 C ATOM 863 C ALA A 54 -24.392 -15.068 23.460 1.00 0.00 C ATOM 864 O ALA A 54 -23.790 -14.265 22.737 1.00 0.00 O ATOM 865 CB ALA A 54 -25.780 -14.367 25.481 1.00 0.00 C ATOM 866 HA ALA A 54 -24.228 -15.870 25.417 1.00 0.00 H ATOM 867 HB1 ALA A 54 -25.780 -14.317 26.570 1.00 0.00 H ATOM 868 HB2 ALA A 54 -25.959 -13.373 25.070 1.00 0.00 H ATOM 869 HB3 ALA A 54 -26.565 -15.046 25.147 1.00 0.00 H ATOM 870 H ALA A 54 -23.022 -13.258 24.767 1.00 0.00 H ATOM 871 N ASN A 55 -25.064 -16.118 22.971 1.00 0.00 N ATOM 872 CA ASN A 55 -25.154 -16.504 21.551 1.00 0.00 C ATOM 873 C ASN A 55 -26.440 -17.313 21.277 1.00 0.00 C ATOM 874 O ASN A 55 -26.442 -18.548 21.496 1.00 0.00 O ATOM 875 CB ASN A 55 -23.849 -17.237 21.149 1.00 0.00 C ATOM 876 CG ASN A 55 -23.793 -17.678 19.691 1.00 0.00 C ATOM 877 OD1 ASN A 55 -23.046 -17.146 18.880 1.00 0.00 O ATOM 878 ND2 ASN A 55 -24.575 -18.663 19.316 1.00 0.00 N ATOM 879 HA ASN A 55 -25.238 -15.620 20.918 1.00 0.00 H ATOM 880 OXT ASN A 55 -27.443 -16.702 20.842 1.00 0.00 O ATOM 881 HB2 ASN A 55 -23.011 -16.565 21.334 1.00 0.00 H ATOM 882 HB3 ASN A 55 -23.749 -18.123 21.777 1.00 0.00 H ATOM 883 HD22 ASN A 55 -25.209 -19.115 20.005 1.00 0.00 H ATOM 884 HD21 ASN A 55 -24.560 -18.992 18.330 1.00 0.00 H ATOM 885 H ASN A 55 -25.569 -16.716 23.656 1.00 0.00 H TER 886 ASN A 55 HETATM 887 ZN ZN A 1 -3.055 4.851 25.589 1.00 0.00 ZN HETATM 888 ZN ZN A 2 -17.873 -3.002 27.348 1.00 0.00 ZN HETATM 889 C9 UNN A 3 -8.837 2.648 34.984 1.00 0.12 C HETATM 890 C10 UNN A 3 -9.347 3.919 35.129 1.00 -0.00 C HETATM 891 C11 UNN A 3 -9.410 4.902 34.209 1.00 0.11 C HETATM 892 O2 UNN A 3 -8.956 4.826 32.915 1.00 -0.26 O HETATM 893 C13 UNN A 3 -9.200 6.089 32.432 1.00 0.08 C HETATM 894 C14 UNN A 3 -9.794 6.915 33.346 1.00 -0.06 C HETATM 895 C15 UNN A 3 -9.932 6.128 34.527 1.00 -0.05 C HETATM 896 H9 UNN A 3 -10.361 6.436 35.479 1.00 0.04 H HETATM 897 H8 UNN A 3 -10.097 7.951 33.203 1.00 0.04 H HETATM 898 H2 UNN A 3 -8.945 6.402 31.420 1.00 0.10 H HETATM 899 H1 UNN A 3 -9.750 4.160 36.111 1.00 0.06 H HETATM 900 S UNN A 3 -8.154 2.078 33.489 1.00 0.04 S HETATM 901 C7 UNN A 3 -7.774 0.525 34.214 1.00 0.23 C HETATM 902 N1 UNN A 3 -7.149 -0.477 33.704 1.00 -0.24 N HETATM 903 N UNN A 3 -6.727 -0.233 32.296 1.00 -0.25 N HETATM 904 C6 UNN A 3 -5.772 -0.939 31.774 1.00 0.13 C HETATM 905 C5 UNN A 3 -4.996 -2.047 32.282 1.00 0.03 C HETATM 906 C4 UNN A 3 -5.074 -2.786 33.458 1.00 -0.04 C HETATM 907 C3 UNN A 3 -4.099 -3.765 33.685 1.00 0.04 C HETATM 908 C2 UNN A 3 -3.080 -4.001 32.743 1.00 -0.05 C HETATM 909 C1 UNN A 3 -3.048 -3.277 31.547 1.00 -0.04 C HETATM 910 C UNN A 3 -4.024 -2.317 31.354 1.00 0.08 C HETATM 911 N2 UNN A 3 -4.167 -1.422 30.283 1.00 -0.23 N HETATM 912 C8 UNN A 3 -5.182 -0.568 30.458 1.00 0.25 C HETATM 913 O UNN A 3 -5.425 0.335 29.673 1.00 -0.36 O HETATM 914 H6 UNN A 3 -3.575 -1.422 29.477 1.00 0.23 H HETATM 915 H5 UNN A 3 -2.286 -3.462 30.799 1.00 0.05 H HETATM 916 H4 UNN A 3 -2.318 -4.745 32.945 1.00 0.06 H HETATM 917 S1 UNN A 3 -4.163 -4.679 35.220 1.00 -0.17 S HETATM 918 O3 UNN A 3 -3.105 -5.695 35.142 1.00 -0.48 O HETATM 919 O4 UNN A 3 -3.961 -3.660 36.262 1.00 -0.48 O HETATM 920 O5 UNN A 3 -5.526 -5.229 35.239 1.00 -0.48 O HETATM 921 H3 UNN A 3 -5.866 -2.609 34.177 1.00 0.06 H HETATM 922 N3 UNN A 3 -8.207 0.545 35.511 1.00 -0.18 N HETATM 923 C12 UNN A 3 -8.771 1.628 36.021 1.00 0.26 C HETATM 924 O1 UNN A 3 -9.136 1.695 37.177 1.00 -0.37 O HETATM 925 H7 UNN A 3 -8.096 -0.269 36.081 1.00 0.25 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 260 259 264 887 CONECT 305 304 309 887 CONECT 371 369 370 887 CONECT 448 447 452 887 CONECT 582 581 586 888 CONECT 639 638 643 888 CONECT 705 703 704 888 CONECT 785 784 789 888 CONECT 887 260 305 371 448 CONECT 888 582 639 705 785 CONECT 889 890 900 923 CONECT 890 889 891 899 CONECT 891 890 892 895 CONECT 892 891 893 CONECT 893 892 894 898 CONECT 894 893 895 897 CONECT 895 891 894 896 CONECT 896 895 CONECT 897 894 CONECT 898 893 CONECT 899 890 CONECT 900 889 901 CONECT 901 900 902 922 CONECT 902 901 903 CONECT 903 902 904 CONECT 904 903 905 912 CONECT 905 904 906 910 CONECT 906 905 907 921 CONECT 907 906 908 917 CONECT 908 907 909 916 CONECT 909 908 910 915 CONECT 910 905 909 911 CONECT 911 910 912 914 CONECT 912 904 911 913 CONECT 913 912 CONECT 914 911 CONECT 915 909 CONECT 916 908 CONECT 917 907 918 919 920 CONECT 918 917 CONECT 919 917 CONECT 920 917 CONECT 921 906 CONECT 922 901 923 925 CONECT 923 889 922 924 CONECT 924 923 CONECT 925 922 MASTER 0 0 0 0 0 0 0 0 924 1 51 5 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2m3z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1hvn
RCSB PDB
PDBbind
18aa, >1HVN_2|Chain... at 94%
1hvo
RCSB PDB
PDBbind
18aa, >1HVO_2|Chain... at 94%
2l4l
RCSB PDB
PDBbind
45aa, >2L4L_1|Chain... at 93%
2lya
RCSB PDB
PDBbind
137aa, >2LYA_1|Chain... at 95%
2lyb
RCSB PDB
PDBbind
137aa, >2LYB_1|Chain... at 95%
2r05
RCSB PDB
PDBbind
11aa, >2R05_2|Chain... at 100%
2xde
RCSB PDB
PDBbind
145aa, >2XDE_1|Chains... at 93%
4inb
RCSB PDB
PDBbind
146aa, >4INB_1|Chain... at 100%
4j93
RCSB PDB
PDBbind
146aa, >4J93_1|Chain... at 100%
4jmu
RCSB PDB
PDBbind
112aa, >4JMU_1|Chain... at 99%
4qnb
RCSB PDB
PDBbind
231aa, >4QNB_1|Chain... at 98%
4u0e
RCSB PDB
PDBbind
231aa, >4U0E_1|Chain... at 98%
4u0f
RCSB PDB
PDBbind
231aa, >4U0F_1|Chain... at 98%
4xrq
RCSB PDB
PDBbind
231aa, >4XRQ_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
2m3z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
NUCLEOCAPSID PROTEIN P7
Ligand Name
1HF
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.27uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Mol.Biol. Vol. 425: pp. 1982-1998
Ligand Properties
Formula
C
1
6
H
1
2
N
4
O
6
S
2
Molecular Weight
420.420
Exact Mass
420.020
No. of atoms
40
No. of bonds
43
Polar Surface Area
207.35
LOGP Value
1.37 (
Computed with XLOGP3
)
3.25 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
O=C1N/C(=N/N=C\2/C(=O)Nc3c2cc(cc3)S(O)(O)O)/S/C/1=C\c1ccco1
InChI String
InChI=1S/C16H12N4O6S2/c21-14-12(6-8-2-1-5-26-8)27-16(18-14)20-19-13-10-7-9(28(23,24)25)3-4-11(10)17-15(13)22/h1-7,23-25H,(H,17,19,22)(H,18,20,21)/b12-6-
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):
P12497
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓