Browse entries in the PDBbind-CN Database
HEADER 5TBN_COMPLEX COMPND 5TBN_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 GLY HIS MET ASP ARG TYR ASP PHE GLU VAL VAL ARG CYS SEQRES 2 A 57 ILE CYS GLU VAL GLN GLU GLU ASN ASP PHE MET ILE GLN SEQRES 3 A 57 CYS GLU GLU CYS GLN CYS TRP GLN HIS GLY VAL CYS MET SEQRES 4 A 57 GLY LEU LEU GLU GLU ASN VAL PRO GLU LYS TYR THR CYS SEQRES 5 A 57 TYR VAL CYS GLN ASP HET ZN A 1 1 HET ZN A 2 1 HET ALA A 60 193 ATOM 1 N GLY A -3 8.086 -1.492 3.525 1.00 0.00 N ATOM 2 CA GLY A -3 7.587 -2.552 2.611 1.00 0.00 C ATOM 3 C GLY A -3 8.711 -3.447 2.100 1.00 0.00 C ATOM 4 O GLY A -3 9.803 -2.964 1.805 1.00 0.00 O ATOM 5 HN3 GLY A -3 8.771 -0.895 3.020 1.00 0.00 H ATOM 6 HN2 GLY A -3 8.548 -1.933 4.346 1.00 0.00 H ATOM 7 HN1 GLY A -3 7.287 -0.909 3.847 1.00 0.00 H ATOM 8 N HIS A -2 8.451 -4.754 1.968 1.00 0.00 N ATOM 9 CA HIS A -2 9.452 -5.809 1.692 1.00 0.00 C ATOM 10 C HIS A -2 10.190 -5.682 0.343 1.00 0.00 C ATOM 11 O HIS A -2 11.269 -6.251 0.174 1.00 0.00 O ATOM 12 CB HIS A -2 8.758 -7.183 1.766 1.00 0.00 C ATOM 13 CG HIS A -2 8.033 -7.449 3.067 1.00 0.00 C ATOM 14 ND1 HIS A -2 6.788 -6.923 3.434 1.00 0.00 N ATOM 15 CD2 HIS A -2 8.488 -8.243 4.080 1.00 0.00 C ATOM 16 CE1 HIS A -2 6.524 -7.417 4.657 1.00 0.00 C ATOM 17 NE2 HIS A -2 7.529 -8.210 5.068 1.00 0.00 N ATOM 18 H HIS A -2 7.460 -5.054 2.068 1.00 0.00 H ATOM 19 N MET A -1 9.628 -4.937 -0.617 1.00 0.00 N ATOM 20 CA MET A -1 10.207 -4.714 -1.951 1.00 0.00 C ATOM 21 C MET A -1 11.537 -3.953 -1.950 1.00 0.00 C ATOM 22 O MET A -1 12.365 -4.193 -2.827 1.00 0.00 O ATOM 23 CB MET A -1 9.218 -3.907 -2.831 1.00 0.00 C ATOM 24 CG MET A -1 8.422 -2.781 -2.141 1.00 0.00 C ATOM 25 SD MET A -1 6.974 -3.276 -1.155 1.00 0.00 S ATOM 26 CE MET A -1 5.832 -3.808 -2.463 1.00 0.00 C ATOM 27 H MET A -1 8.717 -4.483 -0.404 1.00 0.00 H ATOM 28 N ASP A 0 11.735 -3.009 -1.021 1.00 0.00 N ATOM 29 CA ASP A 0 12.852 -2.039 -1.047 1.00 0.00 C ATOM 30 C ASP A 0 12.966 -1.260 -2.375 1.00 0.00 C ATOM 31 O ASP A 0 13.972 -0.607 -2.632 1.00 0.00 O ATOM 32 CB ASP A 0 14.193 -2.706 -0.677 1.00 0.00 C ATOM 33 CG ASP A 0 14.382 -3.005 0.822 1.00 0.00 C ATOM 34 OD1 ASP A 0 13.658 -2.444 1.681 1.00 0.00 O ATOM 35 OD2 ASP A 0 15.282 -3.813 1.155 1.00 0.00 O ATOM 36 H ASP A 0 11.061 -2.954 -0.231 1.00 0.00 H ATOM 37 N ARG A 1 11.915 -1.327 -3.203 1.00 0.00 N ATOM 38 CA ARG A 1 11.796 -0.888 -4.622 1.00 0.00 C ATOM 39 C ARG A 1 12.734 -1.615 -5.606 1.00 0.00 C ATOM 40 O ARG A 1 12.790 -1.271 -6.787 1.00 0.00 O ATOM 41 CB ARG A 1 11.826 0.646 -4.697 1.00 0.00 C ATOM 42 CG ARG A 1 13.223 1.294 -4.799 1.00 0.00 C ATOM 43 CD ARG A 1 13.464 2.292 -3.664 1.00 0.00 C ATOM 44 NE ARG A 1 14.808 2.903 -3.703 1.00 0.00 N ATOM 45 CZ ARG A 1 15.900 2.490 -3.083 1.00 0.00 C ATOM 46 NH1 ARG A 1 15.920 1.406 -2.361 1.00 0.00 N ATOM 47 NH2 ARG A 1 17.006 3.172 -3.183 1.00 0.00 N ATOM 48 HE ARG A 1 14.907 3.758 -4.286 1.00 0.00 H ATOM 49 HH12 ARG A 1 16.798 1.112 -1.888 1.00 0.00 H ATOM 50 HH11 ARG A 1 15.058 0.834 -2.258 1.00 0.00 H ATOM 51 HH22 ARG A 1 17.864 2.846 -2.695 1.00 0.00 H ATOM 52 HH21 ARG A 1 17.030 4.043 -3.751 1.00 0.00 H ATOM 53 H ARG A 1 11.055 -1.747 -2.795 1.00 0.00 H ATOM 54 N TYR A 2 13.445 -2.629 -5.119 1.00 0.00 N ATOM 55 CA TYR A 2 14.362 -3.488 -5.871 1.00 0.00 C ATOM 56 C TYR A 2 13.651 -4.689 -6.520 1.00 0.00 C ATOM 57 O TYR A 2 12.634 -5.182 -6.026 1.00 0.00 O ATOM 58 CB TYR A 2 15.444 -4.000 -4.906 1.00 0.00 C ATOM 59 CG TYR A 2 16.661 -3.095 -4.767 1.00 0.00 C ATOM 60 CD1 TYR A 2 16.502 -1.725 -4.483 1.00 0.00 C ATOM 61 CD2 TYR A 2 17.961 -3.623 -4.923 1.00 0.00 C ATOM 62 CE1 TYR A 2 17.617 -0.885 -4.356 1.00 0.00 C ATOM 63 CE2 TYR A 2 19.087 -2.786 -4.795 1.00 0.00 C ATOM 64 CZ TYR A 2 18.918 -1.412 -4.510 1.00 0.00 C ATOM 65 OH TYR A 2 19.999 -0.591 -4.381 1.00 0.00 O ATOM 66 HH TYR A 2 19.691 0.329 -4.183 1.00 0.00 H ATOM 67 H TYR A 2 13.339 -2.831 -4.104 1.00 0.00 H ATOM 68 N ASP A 3 14.227 -5.191 -7.616 1.00 0.00 N ATOM 69 CA ASP A 3 13.824 -6.456 -8.239 1.00 0.00 C ATOM 70 C ASP A 3 14.664 -7.622 -7.680 1.00 0.00 C ATOM 71 O ASP A 3 15.875 -7.701 -7.906 1.00 0.00 O ATOM 72 CB ASP A 3 13.947 -6.356 -9.767 1.00 0.00 C ATOM 73 CG ASP A 3 13.055 -5.262 -10.384 1.00 0.00 C ATOM 74 OD1 ASP A 3 11.871 -5.132 -9.986 1.00 0.00 O ATOM 75 OD2 ASP A 3 13.542 -4.531 -11.281 1.00 0.00 O ATOM 76 H ASP A 3 15.004 -4.655 -8.052 1.00 0.00 H ATOM 77 N PHE A 4 14.008 -8.539 -6.963 1.00 0.00 N ATOM 78 CA PHE A 4 14.586 -9.741 -6.356 1.00 0.00 C ATOM 79 C PHE A 4 13.852 -11.018 -6.781 1.00 0.00 C ATOM 80 O PHE A 4 12.679 -11.003 -7.154 1.00 0.00 O ATOM 81 CB PHE A 4 14.538 -9.582 -4.828 1.00 0.00 C ATOM 82 CG PHE A 4 15.431 -8.521 -4.204 1.00 0.00 C ATOM 83 CD1 PHE A 4 14.881 -7.557 -3.335 1.00 0.00 C ATOM 84 CD2 PHE A 4 16.815 -8.499 -4.474 1.00 0.00 C ATOM 85 CE1 PHE A 4 15.712 -6.603 -2.718 1.00 0.00 C ATOM 86 CE2 PHE A 4 17.645 -7.540 -3.863 1.00 0.00 C ATOM 87 CZ PHE A 4 17.094 -6.595 -2.979 1.00 0.00 C ATOM 88 H PHE A 4 12.989 -8.385 -6.822 1.00 0.00 H ATOM 89 N GLU A 5 14.546 -12.153 -6.671 1.00 0.00 N ATOM 90 CA GLU A 5 14.001 -13.494 -6.876 1.00 0.00 C ATOM 91 C GLU A 5 12.993 -13.768 -5.736 1.00 0.00 C ATOM 92 O GLU A 5 13.360 -14.060 -4.596 1.00 0.00 O ATOM 93 CB GLU A 5 15.188 -14.505 -6.908 1.00 0.00 C ATOM 94 CG GLU A 5 16.434 -14.105 -7.722 1.00 0.00 C ATOM 95 CD GLU A 5 16.177 -14.158 -9.231 1.00 0.00 C ATOM 96 OE1 GLU A 5 15.785 -15.232 -9.739 1.00 0.00 O ATOM 97 OE2 GLU A 5 16.354 -13.137 -9.929 1.00 0.00 O ATOM 98 H GLU A 5 15.552 -12.077 -6.420 1.00 0.00 H ATOM 99 N VAL A 6 11.700 -13.653 -6.063 1.00 0.00 N ATOM 100 CA VAL A 6 10.581 -13.641 -5.100 1.00 0.00 C ATOM 101 C VAL A 6 9.472 -14.558 -5.552 1.00 0.00 C ATOM 102 O VAL A 6 8.754 -14.240 -6.484 1.00 0.00 O ATOM 103 CB VAL A 6 10.075 -12.191 -4.910 1.00 0.00 C ATOM 104 CG1 VAL A 6 8.754 -12.092 -4.133 1.00 0.00 C ATOM 105 CG2 VAL A 6 11.087 -11.329 -4.154 1.00 0.00 C ATOM 106 H VAL A 6 11.466 -13.565 -7.073 1.00 0.00 H ATOM 107 N VAL A 7 9.273 -15.692 -4.894 1.00 0.00 N ATOM 108 CA VAL A 7 8.222 -16.640 -5.295 1.00 0.00 C ATOM 109 C VAL A 7 6.855 -16.083 -4.879 1.00 0.00 C ATOM 110 O VAL A 7 6.434 -16.177 -3.728 1.00 0.00 O ATOM 111 CB VAL A 7 8.449 -18.041 -4.699 1.00 0.00 C ATOM 112 CG1 VAL A 7 7.310 -18.995 -5.053 1.00 0.00 C ATOM 113 CG2 VAL A 7 9.707 -18.687 -5.284 1.00 0.00 C ATOM 114 H VAL A 7 9.874 -15.916 -4.075 1.00 0.00 H ATOM 115 N ARG A 8 6.142 -15.507 -5.843 1.00 0.00 N ATOM 116 CA ARG A 8 4.805 -14.935 -5.684 1.00 0.00 C ATOM 117 C ARG A 8 3.892 -15.508 -6.743 1.00 0.00 C ATOM 118 O ARG A 8 3.817 -14.978 -7.845 1.00 0.00 O ATOM 119 CB ARG A 8 4.888 -13.402 -5.764 1.00 0.00 C ATOM 120 CG ARG A 8 4.784 -12.751 -4.385 1.00 0.00 C ATOM 121 CD ARG A 8 4.963 -11.225 -4.580 1.00 0.00 C ATOM 122 NE ARG A 8 4.136 -10.412 -3.651 1.00 0.00 N ATOM 123 CZ ARG A 8 4.270 -10.277 -2.341 1.00 0.00 C ATOM 124 NH1 ARG A 8 5.212 -10.874 -1.664 1.00 0.00 N ATOM 125 NH2 ARG A 8 3.441 -9.528 -1.675 1.00 0.00 N ATOM 126 HE ARG A 8 3.353 -9.882 -4.085 1.00 0.00 H ATOM 127 HH12 ARG A 8 5.279 -10.738 -0.635 1.00 0.00 H ATOM 128 HH11 ARG A 8 5.896 -11.485 -2.153 1.00 0.00 H ATOM 129 HH22 ARG A 8 3.547 -9.423 -0.646 1.00 0.00 H ATOM 130 HH21 ARG A 8 2.672 -9.035 -2.172 1.00 0.00 H ATOM 131 H ARG A 8 6.571 -15.459 -6.789 1.00 0.00 H ATOM 132 N CYS A 9 3.260 -16.621 -6.396 1.00 0.00 N ATOM 133 CA CYS A 9 2.178 -17.230 -7.179 1.00 0.00 C ATOM 134 C CYS A 9 0.794 -16.735 -6.726 1.00 0.00 C ATOM 135 O CYS A 9 0.621 -16.371 -5.567 1.00 0.00 O ATOM 136 CB CYS A 9 2.294 -18.761 -7.076 1.00 0.00 C ATOM 137 SG CYS A 9 1.127 -19.624 -8.182 1.00 0.00 S ATOM 138 H CYS A 9 3.549 -17.091 -5.515 1.00 0.00 H ATOM 139 N ILE A 10 -0.227 -16.880 -7.588 1.00 0.00 N ATOM 140 CA ILE A 10 -1.664 -16.681 -7.254 1.00 0.00 C ATOM 141 C ILE A 10 -2.139 -17.519 -6.061 1.00 0.00 C ATOM 142 O ILE A 10 -3.181 -17.265 -5.458 1.00 0.00 O ATOM 143 CB ILE A 10 -2.577 -17.036 -8.448 1.00 0.00 C ATOM 144 CG1 ILE A 10 -2.354 -18.397 -9.155 1.00 0.00 C ATOM 145 CG2 ILE A 10 -2.411 -15.907 -9.459 1.00 0.00 C ATOM 146 CD1 ILE A 10 -2.752 -19.662 -8.385 1.00 0.00 C ATOM 147 H ILE A 10 0.005 -17.152 -8.564 1.00 0.00 H ATOM 148 N CYS A 11 -1.328 -18.522 -5.739 1.00 0.00 N ATOM 149 CA CYS A 11 -1.497 -19.436 -4.624 1.00 0.00 C ATOM 150 C CYS A 11 -1.231 -18.714 -3.272 1.00 0.00 C ATOM 151 O CYS A 11 -1.560 -19.256 -2.217 1.00 0.00 O ATOM 152 CB CYS A 11 -0.492 -20.589 -4.839 1.00 0.00 C ATOM 153 SG CYS A 11 -0.857 -21.991 -5.887 1.00 0.00 S ATOM 154 H CYS A 11 -0.494 -18.665 -6.343 1.00 0.00 H ATOM 155 N GLU A 12 -0.594 -17.525 -3.298 1.00 0.00 N ATOM 156 CA GLU A 12 -0.100 -16.745 -2.149 1.00 0.00 C ATOM 157 C GLU A 12 0.761 -17.574 -1.189 1.00 0.00 C ATOM 158 O GLU A 12 0.725 -17.447 0.037 1.00 0.00 O ATOM 159 CB GLU A 12 -1.255 -15.964 -1.500 1.00 0.00 C ATOM 160 CG GLU A 12 -1.838 -14.898 -2.440 1.00 0.00 C ATOM 161 CD GLU A 12 -2.892 -14.006 -1.746 1.00 0.00 C ATOM 162 OE1 GLU A 12 -3.695 -14.504 -0.917 1.00 0.00 O ATOM 163 OE2 GLU A 12 -2.928 -12.784 -2.030 1.00 0.00 O ATOM 164 H GLU A 12 -0.433 -17.111 -4.238 1.00 0.00 H ATOM 165 N VAL A 13 1.551 -18.446 -1.812 1.00 0.00 N ATOM 166 CA VAL A 13 2.523 -19.339 -1.203 1.00 0.00 C ATOM 167 C VAL A 13 3.875 -19.131 -1.880 1.00 0.00 C ATOM 168 O VAL A 13 3.964 -19.021 -3.101 1.00 0.00 O ATOM 169 CB VAL A 13 1.984 -20.783 -1.269 1.00 0.00 C ATOM 170 CG1 VAL A 13 2.280 -21.493 -2.594 1.00 0.00 C ATOM 171 CG2 VAL A 13 2.496 -21.622 -0.099 1.00 0.00 C ATOM 172 H VAL A 13 1.463 -18.493 -2.847 1.00 0.00 H ATOM 173 N GLN A 14 4.934 -19.120 -1.082 1.00 0.00 N ATOM 174 CA GLN A 14 6.325 -19.150 -1.566 1.00 0.00 C ATOM 175 C GLN A 14 6.845 -20.602 -1.799 1.00 0.00 C ATOM 176 O GLN A 14 8.035 -20.818 -2.023 1.00 0.00 O ATOM 177 CB GLN A 14 7.244 -18.372 -0.610 1.00 0.00 C ATOM 178 CG GLN A 14 7.087 -16.842 -0.570 1.00 0.00 C ATOM 179 CD GLN A 14 5.667 -16.361 -0.277 1.00 0.00 C ATOM 180 OE1 GLN A 14 5.233 -16.281 0.865 1.00 0.00 O ATOM 181 NE2 GLN A 14 4.880 -16.029 -1.278 1.00 0.00 N ATOM 182 HE22 GLN A 14 5.229 -16.090 -2.256 1.00 0.00 H ATOM 183 HE21 GLN A 14 3.909 -15.706 -1.091 1.00 0.00 H ATOM 184 H GLN A 14 4.773 -19.088 -0.055 1.00 0.00 H ATOM 185 N GLU A 15 5.966 -21.610 -1.699 1.00 0.00 N ATOM 186 CA GLU A 15 6.245 -23.037 -1.894 1.00 0.00 C ATOM 187 C GLU A 15 6.746 -23.301 -3.309 1.00 0.00 C ATOM 188 O GLU A 15 6.381 -22.590 -4.240 1.00 0.00 O ATOM 189 CB GLU A 15 5.003 -23.890 -1.554 1.00 0.00 C ATOM 190 CG GLU A 15 5.179 -25.412 -1.638 1.00 0.00 C ATOM 191 CD GLU A 15 6.280 -25.931 -0.700 1.00 0.00 C ATOM 192 OE1 GLU A 15 5.972 -26.301 0.460 1.00 0.00 O ATOM 193 OE2 GLU A 15 7.459 -25.967 -1.124 1.00 0.00 O ATOM 194 H GLU A 15 4.987 -21.354 -1.459 1.00 0.00 H ATOM 195 N GLU A 16 7.591 -24.306 -3.480 1.00 0.00 N ATOM 196 CA GLU A 16 8.059 -24.786 -4.745 1.00 0.00 C ATOM 197 C GLU A 16 7.484 -26.155 -5.103 1.00 0.00 C ATOM 198 O GLU A 16 7.681 -27.191 -4.466 1.00 0.00 O ATOM 199 CB GLU A 16 9.562 -24.789 -4.936 1.00 0.00 C ATOM 200 CG GLU A 16 10.337 -23.769 -4.099 1.00 0.00 C ATOM 201 CD GLU A 16 10.954 -24.335 -2.804 1.00 0.00 C ATOM 202 OE1 GLU A 16 11.473 -25.478 -2.807 1.00 0.00 O ATOM 203 OE2 GLU A 16 10.938 -23.631 -1.763 1.00 0.00 O ATOM 204 H GLU A 16 7.943 -24.785 -2.627 1.00 0.00 H ATOM 205 N ASN A 17 6.795 -26.071 -6.209 1.00 0.00 N ATOM 206 CA ASN A 17 6.294 -27.171 -7.025 1.00 0.00 C ATOM 207 C ASN A 17 7.480 -27.796 -7.804 1.00 0.00 C ATOM 208 O ASN A 17 8.603 -27.284 -7.810 1.00 0.00 O ATOM 209 CB ASN A 17 5.198 -26.702 -8.012 1.00 0.00 C ATOM 210 CG ASN A 17 3.791 -26.564 -7.450 1.00 0.00 C ATOM 211 OD1 ASN A 17 3.551 -26.540 -6.251 1.00 0.00 O ATOM 212 ND2 ASN A 17 2.813 -26.476 -8.331 1.00 0.00 N ATOM 213 HD22 ASN A 17 3.026 -26.497 -9.349 1.00 0.00 H ATOM 214 HD21 ASN A 17 1.829 -26.385 -8.008 1.00 0.00 H ATOM 215 H ASN A 17 6.579 -25.111 -6.546 1.00 0.00 H ATOM 216 N ASP A 18 7.191 -28.851 -8.567 1.00 0.00 N ATOM 217 CA ASP A 18 8.127 -29.485 -9.510 1.00 0.00 C ATOM 218 C ASP A 18 8.669 -28.511 -10.575 1.00 0.00 C ATOM 219 O ASP A 18 9.830 -28.621 -10.975 1.00 0.00 O ATOM 220 CB ASP A 18 7.409 -30.639 -10.226 1.00 0.00 C ATOM 221 CG ASP A 18 7.034 -31.854 -9.353 1.00 0.00 C ATOM 222 OD1 ASP A 18 6.411 -32.796 -9.899 1.00 0.00 O ATOM 223 OD2 ASP A 18 7.342 -31.896 -8.138 1.00 0.00 O ATOM 224 H ASP A 18 6.236 -29.255 -8.490 1.00 0.00 H ATOM 225 N PHE A 19 7.846 -27.544 -11.002 1.00 0.00 N ATOM 226 CA PHE A 19 8.178 -26.494 -11.967 1.00 0.00 C ATOM 227 C PHE A 19 7.902 -25.065 -11.461 1.00 0.00 C ATOM 228 O PHE A 19 6.811 -24.797 -10.956 1.00 0.00 O ATOM 229 CB PHE A 19 7.426 -26.760 -13.290 1.00 0.00 C ATOM 230 CG PHE A 19 7.711 -25.762 -14.366 1.00 0.00 C ATOM 231 CD1 PHE A 19 6.647 -25.139 -15.036 1.00 0.00 C ATOM 232 CD2 PHE A 19 9.045 -25.465 -14.697 1.00 0.00 C ATOM 233 CE1 PHE A 19 6.929 -24.229 -16.060 1.00 0.00 C ATOM 234 CE2 PHE A 19 9.320 -24.536 -15.702 1.00 0.00 C ATOM 235 CZ PHE A 19 8.259 -23.950 -16.398 1.00 0.00 C ATOM 236 H PHE A 19 6.882 -27.539 -10.612 1.00 0.00 H ATOM 237 N MET A 20 8.845 -24.126 -11.669 1.00 0.00 N ATOM 238 CA MET A 20 8.676 -22.676 -11.451 1.00 0.00 C ATOM 239 C MET A 20 9.294 -21.823 -12.572 1.00 0.00 C ATOM 240 O MET A 20 10.284 -22.231 -13.180 1.00 0.00 O ATOM 241 CB MET A 20 9.216 -22.204 -10.085 1.00 0.00 C ATOM 242 CG MET A 20 8.836 -23.138 -8.951 1.00 0.00 C ATOM 243 SD MET A 20 9.048 -22.394 -7.327 1.00 0.00 S ATOM 244 CE MET A 20 7.528 -21.455 -7.227 1.00 0.00 C ATOM 245 H MET A 20 9.771 -24.450 -12.013 1.00 0.00 H ATOM 246 N ILE A 21 8.742 -20.624 -12.800 1.00 0.00 N ATOM 247 CA ILE A 21 9.177 -19.647 -13.837 1.00 0.00 C ATOM 248 C ILE A 21 9.324 -18.277 -13.200 1.00 0.00 C ATOM 249 O ILE A 21 8.647 -18.026 -12.214 1.00 0.00 O ATOM 250 CB ILE A 21 8.187 -19.495 -15.025 1.00 0.00 C ATOM 251 CG1 ILE A 21 7.673 -20.842 -15.511 1.00 0.00 C ATOM 252 CG2 ILE A 21 8.660 -18.803 -16.344 1.00 0.00 C ATOM 253 CD1 ILE A 21 6.239 -20.660 -15.912 1.00 0.00 C ATOM 254 H ILE A 21 7.938 -20.351 -12.199 1.00 0.00 H ATOM 255 N GLN A 22 10.121 -17.389 -13.785 1.00 0.00 N ATOM 256 CA GLN A 22 10.334 -16.021 -13.295 1.00 0.00 C ATOM 257 C GLN A 22 9.680 -14.991 -14.220 1.00 0.00 C ATOM 258 O GLN A 22 9.879 -15.033 -15.434 1.00 0.00 O ATOM 259 CB GLN A 22 11.848 -15.767 -13.162 1.00 0.00 C ATOM 260 CG GLN A 22 12.190 -14.277 -12.976 1.00 0.00 C ATOM 261 CD GLN A 22 13.601 -14.053 -12.435 1.00 0.00 C ATOM 262 OE1 GLN A 22 14.579 -14.113 -13.159 1.00 0.00 O ATOM 263 NE2 GLN A 22 13.788 -13.774 -11.172 1.00 0.00 N ATOM 264 HE22 GLN A 22 12.975 -13.715 -10.527 1.00 0.00 H ATOM 265 HE21 GLN A 22 14.750 -13.611 -10.812 1.00 0.00 H ATOM 266 H GLN A 22 10.627 -17.682 -14.645 1.00 0.00 H ATOM 267 N CYS A 23 8.985 -14.008 -13.642 1.00 0.00 N ATOM 268 CA CYS A 23 8.449 -12.855 -14.353 1.00 0.00 C ATOM 269 C CYS A 23 9.573 -11.995 -14.898 1.00 0.00 C ATOM 270 O CYS A 23 10.481 -11.610 -14.167 1.00 0.00 O ATOM 271 CB CYS A 23 7.613 -12.033 -13.372 1.00 0.00 C ATOM 272 SG CYS A 23 6.881 -10.529 -14.076 1.00 0.00 S ATOM 273 H CYS A 23 8.815 -14.070 -12.618 1.00 0.00 H ATOM 274 N GLU A 24 9.469 -11.616 -16.162 1.00 0.00 N ATOM 275 CA GLU A 24 10.471 -10.751 -16.796 1.00 0.00 C ATOM 276 C GLU A 24 10.410 -9.286 -16.300 1.00 0.00 C ATOM 277 O GLU A 24 11.383 -8.546 -16.448 1.00 0.00 O ATOM 278 CB GLU A 24 10.301 -10.872 -18.316 1.00 0.00 C ATOM 279 CG GLU A 24 8.962 -10.261 -18.788 1.00 0.00 C ATOM 280 CD GLU A 24 9.041 -8.823 -19.359 1.00 0.00 C ATOM 281 OE1 GLU A 24 10.125 -8.365 -19.795 1.00 0.00 O ATOM 282 OE2 GLU A 24 7.991 -8.140 -19.378 1.00 0.00 O ATOM 283 H GLU A 24 8.654 -11.940 -16.722 1.00 0.00 H ATOM 284 N GLU A 25 9.289 -8.867 -15.693 1.00 0.00 N ATOM 285 CA GLU A 25 9.057 -7.463 -15.303 1.00 0.00 C ATOM 286 C GLU A 25 9.523 -7.146 -13.886 1.00 0.00 C ATOM 287 O GLU A 25 10.320 -6.229 -13.684 1.00 0.00 O ATOM 288 CB GLU A 25 7.572 -7.145 -15.471 1.00 0.00 C ATOM 289 CG GLU A 25 7.104 -5.700 -15.235 1.00 0.00 C ATOM 290 CD GLU A 25 8.009 -4.599 -15.830 1.00 0.00 C ATOM 291 OE1 GLU A 25 8.505 -4.748 -16.973 1.00 0.00 O ATOM 292 OE2 GLU A 25 8.225 -3.563 -15.154 1.00 0.00 O ATOM 293 H GLU A 25 8.547 -9.566 -15.487 1.00 0.00 H ATOM 294 N CYS A 26 9.065 -7.954 -12.921 1.00 0.00 N ATOM 295 CA CYS A 26 9.371 -7.781 -11.509 1.00 0.00 C ATOM 296 C CYS A 26 10.204 -8.895 -10.854 1.00 0.00 C ATOM 297 O CYS A 26 10.405 -8.893 -9.639 1.00 0.00 O ATOM 298 CB CYS A 26 8.086 -7.608 -10.728 1.00 0.00 C ATOM 299 SG CYS A 26 7.041 -9.057 -10.490 1.00 0.00 S ATOM 300 H CYS A 26 8.456 -8.751 -13.197 1.00 0.00 H ATOM 301 N GLN A 27 10.660 -9.872 -11.643 1.00 0.00 N ATOM 302 CA GLN A 27 11.508 -10.998 -11.224 1.00 0.00 C ATOM 303 C GLN A 27 10.853 -12.061 -10.329 1.00 0.00 C ATOM 304 O GLN A 27 11.522 -12.988 -9.864 1.00 0.00 O ATOM 305 CB GLN A 27 12.815 -10.492 -10.591 1.00 0.00 C ATOM 306 CG GLN A 27 14.133 -10.715 -11.366 1.00 0.00 C ATOM 307 CD GLN A 27 14.762 -9.420 -11.867 1.00 0.00 C ATOM 308 OE1 GLN A 27 15.757 -8.931 -11.354 1.00 0.00 O ATOM 309 NE2 GLN A 27 14.198 -8.819 -12.901 1.00 0.00 N ATOM 310 HE22 GLN A 27 13.351 -9.230 -13.343 1.00 0.00 H ATOM 311 HE21 GLN A 27 14.602 -7.936 -13.273 1.00 0.00 H ATOM 312 H GLN A 27 10.390 -9.833 -12.647 1.00 0.00 H ATOM 313 N CYS A 28 9.559 -11.979 -10.063 1.00 0.00 N ATOM 314 CA CYS A 28 8.960 -12.925 -9.135 1.00 0.00 C ATOM 315 C CYS A 28 8.763 -14.300 -9.762 1.00 0.00 C ATOM 316 O CYS A 28 8.524 -14.403 -10.956 1.00 0.00 O ATOM 317 CB CYS A 28 7.658 -12.348 -8.612 1.00 0.00 C ATOM 318 SG CYS A 28 6.504 -12.028 -9.964 1.00 0.00 S ATOM 319 H CYS A 28 8.976 -11.245 -10.513 1.00 0.00 H ATOM 320 N TRP A 29 8.818 -15.351 -8.959 1.00 0.00 N ATOM 321 CA TRP A 29 8.723 -16.740 -9.373 1.00 0.00 C ATOM 322 C TRP A 29 7.359 -17.372 -9.107 1.00 0.00 C ATOM 323 O TRP A 29 6.726 -17.059 -8.102 1.00 0.00 O ATOM 324 CB TRP A 29 9.849 -17.496 -8.689 1.00 0.00 C ATOM 325 CG TRP A 29 11.216 -17.309 -9.258 1.00 0.00 C ATOM 326 CD1 TRP A 29 12.057 -16.287 -8.982 1.00 0.00 C ATOM 327 CD2 TRP A 29 11.928 -18.164 -10.193 1.00 0.00 C ATOM 328 NE1 TRP A 29 13.255 -16.469 -9.650 1.00 0.00 N ATOM 329 CE2 TRP A 29 13.231 -17.631 -10.387 1.00 0.00 C ATOM 330 CE3 TRP A 29 11.601 -19.338 -10.896 1.00 0.00 C ATOM 331 CZ2 TRP A 29 14.167 -18.261 -11.205 1.00 0.00 C ATOM 332 CZ3 TRP A 29 12.541 -19.958 -11.745 1.00 0.00 C ATOM 333 CH2 TRP A 29 13.828 -19.430 -11.890 1.00 0.00 C ATOM 334 HE1 TRP A 29 14.063 -15.817 -9.602 1.00 0.00 H ATOM 335 H TRP A 29 8.940 -15.166 -7.943 1.00 0.00 H ATOM 336 N GLN A 30 6.878 -18.260 -9.978 1.00 0.00 N ATOM 337 CA GLN A 30 5.557 -18.870 -9.830 1.00 0.00 C ATOM 338 C GLN A 30 5.589 -20.300 -10.267 1.00 0.00 C ATOM 339 O GLN A 30 6.453 -20.675 -11.049 1.00 0.00 O ATOM 340 CB GLN A 30 4.509 -18.195 -10.727 1.00 0.00 C ATOM 341 CG GLN A 30 4.279 -16.749 -10.371 1.00 0.00 C ATOM 342 CD GLN A 30 5.391 -15.852 -10.849 1.00 0.00 C ATOM 343 OE1 GLN A 30 5.985 -16.017 -11.896 1.00 0.00 O ATOM 344 NE2 GLN A 30 5.732 -14.862 -10.096 1.00 0.00 N ATOM 345 HE22 GLN A 30 5.239 -14.700 -9.195 1.00 0.00 H ATOM 346 HE21 GLN A 30 6.500 -14.226 -10.390 1.00 0.00 H ATOM 347 H GLN A 30 7.465 -18.529 -10.794 1.00 0.00 H ATOM 348 N HIS A 31 4.599 -21.077 -9.843 1.00 0.00 N ATOM 349 CA HIS A 31 4.408 -22.406 -10.402 1.00 0.00 C ATOM 350 C HIS A 31 3.861 -22.211 -11.799 1.00 0.00 C ATOM 351 O HIS A 31 2.771 -21.666 -11.961 1.00 0.00 O ATOM 352 CB HIS A 31 3.388 -23.216 -9.590 1.00 0.00 C ATOM 353 CG HIS A 31 3.542 -23.082 -8.098 1.00 0.00 C ATOM 354 ND1 HIS A 31 2.599 -22.680 -7.145 1.00 0.00 N ATOM 355 CD2 HIS A 31 4.706 -23.329 -7.456 1.00 0.00 C ATOM 356 CE1 HIS A 31 3.210 -22.686 -5.946 1.00 0.00 C ATOM 357 NE2 HIS A 31 4.483 -23.074 -6.117 1.00 0.00 N ATOM 358 H HIS A 31 3.954 -20.732 -9.104 1.00 0.00 H ATOM 359 N GLY A 32 4.573 -22.661 -12.823 1.00 0.00 N ATOM 360 CA GLY A 32 4.089 -22.416 -14.178 1.00 0.00 C ATOM 361 C GLY A 32 2.696 -22.965 -14.449 1.00 0.00 C ATOM 362 O GLY A 32 1.878 -22.303 -15.084 1.00 0.00 O ATOM 363 H GLY A 32 5.460 -23.179 -12.664 1.00 0.00 H ATOM 364 N VAL A 33 2.374 -24.115 -13.863 1.00 0.00 N ATOM 365 CA VAL A 33 1.082 -24.797 -14.076 1.00 0.00 C ATOM 366 C VAL A 33 -0.101 -24.004 -13.473 1.00 0.00 C ATOM 367 O VAL A 33 -1.245 -24.175 -13.889 1.00 0.00 O ATOM 368 CB VAL A 33 1.204 -26.240 -13.570 1.00 0.00 C ATOM 369 CG1 VAL A 33 1.309 -26.318 -12.041 1.00 0.00 C ATOM 370 CG2 VAL A 33 0.047 -27.128 -14.033 1.00 0.00 C ATOM 371 H VAL A 33 3.066 -24.555 -13.224 1.00 0.00 H ATOM 372 N CYS A 34 0.185 -23.069 -12.555 1.00 0.00 N ATOM 373 CA CYS A 34 -0.766 -22.089 -12.008 1.00 0.00 C ATOM 374 C CYS A 34 -0.985 -20.885 -12.944 1.00 0.00 C ATOM 375 O CYS A 34 -2.041 -20.254 -12.940 1.00 0.00 O ATOM 376 CB CYS A 34 -0.211 -21.605 -10.679 1.00 0.00 C ATOM 377 SG CYS A 34 -0.187 -22.916 -9.440 1.00 0.00 S ATOM 378 H CYS A 34 1.162 -23.034 -12.200 1.00 0.00 H ATOM 379 N MET A 35 0.054 -20.558 -13.717 1.00 0.00 N ATOM 380 CA MET A 35 0.159 -19.418 -14.634 1.00 0.00 C ATOM 381 C MET A 35 -0.200 -19.781 -16.096 1.00 0.00 C ATOM 382 O MET A 35 -0.296 -18.891 -16.943 1.00 0.00 O ATOM 383 CB MET A 35 1.598 -18.894 -14.533 1.00 0.00 C ATOM 384 CG MET A 35 2.011 -18.378 -13.147 1.00 0.00 C ATOM 385 SD MET A 35 1.408 -16.701 -12.808 1.00 0.00 S ATOM 386 CE MET A 35 -0.114 -17.012 -11.894 1.00 0.00 C ATOM 387 H MET A 35 0.883 -21.183 -13.662 1.00 0.00 H ATOM 388 N GLY A 36 -0.399 -21.072 -16.408 1.00 0.00 N ATOM 389 CA GLY A 36 -0.675 -21.605 -17.746 1.00 0.00 C ATOM 390 C GLY A 36 0.564 -21.815 -18.606 1.00 0.00 C ATOM 391 O GLY A 36 0.478 -21.740 -19.834 1.00 0.00 O ATOM 392 H GLY A 36 -0.353 -21.758 -15.628 1.00 0.00 H ATOM 393 N LEU A 37 1.712 -22.058 -17.966 1.00 0.00 N ATOM 394 CA LEU A 37 2.987 -22.314 -18.632 1.00 0.00 C ATOM 395 C LEU A 37 3.648 -23.583 -18.059 1.00 0.00 C ATOM 396 O LEU A 37 3.467 -23.952 -16.908 1.00 0.00 O ATOM 397 CB LEU A 37 3.933 -21.092 -18.528 1.00 0.00 C ATOM 398 CG LEU A 37 3.326 -19.668 -18.459 1.00 0.00 C ATOM 399 CD1 LEU A 37 3.797 -18.839 -17.263 1.00 0.00 C ATOM 400 CD2 LEU A 37 3.812 -18.890 -19.661 1.00 0.00 C ATOM 401 H LEU A 37 1.697 -22.065 -16.926 1.00 0.00 H ATOM 402 N LEU A 38 4.435 -24.260 -18.874 1.00 0.00 N ATOM 403 CA LEU A 38 5.204 -25.463 -18.624 1.00 0.00 C ATOM 404 C LEU A 38 6.626 -25.217 -19.115 1.00 0.00 C ATOM 405 O LEU A 38 6.830 -24.314 -19.921 1.00 0.00 O ATOM 406 CB LEU A 38 4.530 -26.573 -19.437 1.00 0.00 C ATOM 407 CG LEU A 38 3.664 -27.552 -18.642 1.00 0.00 C ATOM 408 CD1 LEU A 38 4.616 -28.579 -18.036 1.00 0.00 C ATOM 409 CD2 LEU A 38 2.750 -26.937 -17.583 1.00 0.00 C ATOM 410 H LEU A 38 4.515 -23.874 -19.836 1.00 0.00 H ATOM 411 N GLU A 39 7.577 -26.078 -18.757 1.00 0.00 N ATOM 412 CA GLU A 39 8.930 -26.040 -19.322 1.00 0.00 C ATOM 413 C GLU A 39 8.943 -26.168 -20.860 1.00 0.00 C ATOM 414 O GLU A 39 9.849 -25.636 -21.505 1.00 0.00 O ATOM 415 CB GLU A 39 9.824 -27.109 -18.658 1.00 0.00 C ATOM 416 CG GLU A 39 9.266 -28.539 -18.540 1.00 0.00 C ATOM 417 CD GLU A 39 9.054 -29.257 -19.886 1.00 0.00 C ATOM 418 OE1 GLU A 39 7.923 -29.737 -20.144 1.00 0.00 O ATOM 419 OE2 GLU A 39 10.014 -29.353 -20.687 1.00 0.00 O ATOM 420 H GLU A 39 7.351 -26.806 -18.049 1.00 0.00 H ATOM 421 N GLU A 40 7.913 -26.779 -21.460 1.00 0.00 N ATOM 422 CA GLU A 40 7.742 -26.774 -22.927 1.00 0.00 C ATOM 423 C GLU A 40 7.429 -25.381 -23.499 1.00 0.00 C ATOM 424 O GLU A 40 7.912 -25.042 -24.584 1.00 0.00 O ATOM 425 CB GLU A 40 6.680 -27.772 -23.434 1.00 0.00 C ATOM 426 CG GLU A 40 5.327 -27.752 -22.713 1.00 0.00 C ATOM 427 CD GLU A 40 4.171 -28.389 -23.519 1.00 0.00 C ATOM 428 OE1 GLU A 40 2.996 -28.230 -23.105 1.00 0.00 O ATOM 429 OE2 GLU A 40 4.400 -29.059 -24.558 1.00 0.00 O ATOM 430 H GLU A 40 7.211 -27.273 -20.874 1.00 0.00 H ATOM 431 N ASN A 41 6.623 -24.580 -22.791 1.00 0.00 N ATOM 432 CA ASN A 41 6.088 -23.322 -23.314 1.00 0.00 C ATOM 433 C ASN A 41 6.810 -22.049 -22.839 1.00 0.00 C ATOM 434 O ASN A 41 6.379 -20.970 -23.247 1.00 0.00 O ATOM 435 CB ASN A 41 4.595 -23.209 -22.970 1.00 0.00 C ATOM 436 CG ASN A 41 3.644 -24.275 -23.474 1.00 0.00 C ATOM 437 OD1 ASN A 41 3.926 -25.048 -24.378 1.00 0.00 O ATOM 438 ND2 ASN A 41 2.465 -24.325 -22.888 1.00 0.00 N ATOM 439 HD22 ASN A 41 2.237 -23.662 -22.120 1.00 0.00 H ATOM 440 HD21 ASN A 41 1.762 -25.028 -23.193 1.00 0.00 H ATOM 441 H ASN A 41 6.365 -24.865 -21.825 1.00 0.00 H ATOM 442 N VAL A 42 7.868 -22.123 -22.014 1.00 0.00 N ATOM 443 CA VAL A 42 8.473 -20.941 -21.343 1.00 0.00 C ATOM 444 C VAL A 42 8.831 -19.876 -22.382 1.00 0.00 C ATOM 445 O VAL A 42 9.717 -20.098 -23.218 1.00 0.00 O ATOM 446 CB VAL A 42 9.749 -21.294 -20.554 1.00 0.00 C ATOM 447 CG1 VAL A 42 10.472 -20.060 -19.988 1.00 0.00 C ATOM 448 CG2 VAL A 42 9.420 -22.235 -19.418 1.00 0.00 C ATOM 449 H VAL A 42 8.287 -23.058 -21.835 1.00 0.00 H ATOM 450 N PRO A 43 8.138 -18.723 -22.347 1.00 0.00 N ATOM 451 CA PRO A 43 8.390 -17.634 -23.273 1.00 0.00 C ATOM 452 C PRO A 43 9.640 -16.839 -22.873 1.00 0.00 C ATOM 453 O PRO A 43 10.145 -16.932 -21.753 1.00 0.00 O ATOM 454 CB PRO A 43 7.104 -16.799 -23.229 1.00 0.00 C ATOM 455 CG PRO A 43 6.587 -16.982 -21.811 1.00 0.00 C ATOM 456 CD PRO A 43 6.997 -18.416 -21.482 1.00 0.00 C ATOM 457 N GLU A 44 10.113 -15.981 -23.774 1.00 0.00 N ATOM 458 CA GLU A 44 11.239 -15.079 -23.486 1.00 0.00 C ATOM 459 C GLU A 44 10.778 -13.966 -22.542 1.00 0.00 C ATOM 460 O GLU A 44 11.526 -13.561 -21.653 1.00 0.00 O ATOM 461 CB GLU A 44 11.833 -14.510 -24.791 1.00 0.00 C ATOM 462 CG GLU A 44 13.066 -15.300 -25.268 1.00 0.00 C ATOM 463 CD GLU A 44 13.579 -14.828 -26.645 1.00 0.00 C ATOM 464 OE1 GLU A 44 13.531 -13.611 -26.954 1.00 0.00 O ATOM 465 OE2 GLU A 44 14.050 -15.678 -27.439 1.00 0.00 O ATOM 466 H GLU A 44 9.671 -15.947 -24.715 1.00 0.00 H ATOM 467 N LYS A 45 9.505 -13.563 -22.646 1.00 0.00 N ATOM 468 CA LYS A 45 8.862 -12.594 -21.773 1.00 0.00 C ATOM 469 C LYS A 45 7.489 -13.031 -21.265 1.00 0.00 C ATOM 470 O LYS A 45 6.447 -12.648 -21.794 1.00 0.00 O ATOM 471 CB LYS A 45 8.743 -11.252 -22.493 1.00 0.00 C ATOM 472 CG LYS A 45 10.057 -10.468 -22.653 1.00 0.00 C ATOM 473 CD LYS A 45 9.762 -9.046 -23.165 1.00 0.00 C ATOM 474 CE LYS A 45 10.998 -8.138 -23.299 1.00 0.00 C ATOM 475 NZ LYS A 45 11.740 -7.987 -22.016 1.00 0.00 N ATOM 476 HZ1 LYS A 45 11.112 -7.568 -21.301 1.00 0.00 H ATOM 477 HZ2 LYS A 45 12.063 -8.921 -21.692 1.00 0.00 H ATOM 478 HZ3 LYS A 45 12.562 -7.367 -22.163 1.00 0.00 H ATOM 479 H LYS A 45 8.932 -13.975 -23.410 1.00 0.00 H ATOM 480 N TYR A 46 7.519 -13.835 -20.210 1.00 0.00 N ATOM 481 CA TYR A 46 6.304 -14.126 -19.444 1.00 0.00 C ATOM 482 C TYR A 46 6.103 -12.989 -18.426 1.00 0.00 C ATOM 483 O TYR A 46 6.983 -12.670 -17.622 1.00 0.00 O ATOM 484 CB TYR A 46 6.344 -15.523 -18.782 1.00 0.00 C ATOM 485 CG TYR A 46 5.738 -15.550 -17.411 1.00 0.00 C ATOM 486 CD1 TYR A 46 4.344 -15.556 -17.245 1.00 0.00 C ATOM 487 CD2 TYR A 46 6.597 -15.542 -16.306 1.00 0.00 C ATOM 488 CE1 TYR A 46 3.805 -15.480 -15.948 1.00 0.00 C ATOM 489 CE2 TYR A 46 6.062 -15.512 -15.011 1.00 0.00 C ATOM 490 CZ TYR A 46 4.665 -15.462 -14.841 1.00 0.00 C ATOM 491 OH TYR A 46 4.145 -15.387 -13.602 1.00 0.00 O ATOM 492 HH TYR A 46 4.424 -16.180 -13.080 1.00 0.00 H ATOM 493 H TYR A 46 8.420 -14.266 -19.922 1.00 0.00 H ATOM 494 N THR A 47 4.926 -12.381 -18.481 1.00 0.00 N ATOM 495 CA THR A 47 4.400 -11.422 -17.506 1.00 0.00 C ATOM 496 C THR A 47 3.513 -12.113 -16.472 1.00 0.00 C ATOM 497 O THR A 47 2.661 -12.923 -16.829 1.00 0.00 O ATOM 498 CB THR A 47 3.589 -10.326 -18.211 1.00 0.00 C ATOM 499 OG1 THR A 47 2.921 -10.775 -19.379 1.00 0.00 O ATOM 500 CG2 THR A 47 4.461 -9.129 -18.583 1.00 0.00 C ATOM 501 HG1 THR A 47 2.292 -11.501 -19.139 1.00 0.00 H ATOM 502 H THR A 47 4.318 -12.606 -19.294 1.00 0.00 H ATOM 503 N CYS A 48 3.660 -11.740 -15.194 1.00 0.00 N ATOM 504 CA CYS A 48 2.939 -12.363 -14.080 1.00 0.00 C ATOM 505 C CYS A 48 1.676 -11.590 -13.785 1.00 0.00 C ATOM 506 O CYS A 48 1.701 -10.384 -13.899 1.00 0.00 O ATOM 507 CB CYS A 48 3.841 -12.386 -12.822 1.00 0.00 C ATOM 508 SG CYS A 48 3.898 -10.880 -11.788 1.00 0.00 S ATOM 509 H CYS A 48 4.322 -10.966 -14.980 1.00 0.00 H ATOM 510 N TYR A 49 0.606 -12.211 -13.323 1.00 0.00 N ATOM 511 CA TYR A 49 -0.593 -11.547 -12.821 1.00 0.00 C ATOM 512 C TYR A 49 -0.399 -10.275 -11.951 1.00 0.00 C ATOM 513 O TYR A 49 -1.143 -9.315 -12.113 1.00 0.00 O ATOM 514 CB TYR A 49 -1.373 -12.610 -12.061 1.00 0.00 C ATOM 515 CG TYR A 49 -0.804 -12.916 -10.685 1.00 0.00 C ATOM 516 CD1 TYR A 49 0.442 -13.568 -10.553 1.00 0.00 C ATOM 517 CD2 TYR A 49 -1.516 -12.530 -9.534 1.00 0.00 C ATOM 518 CE1 TYR A 49 0.977 -13.804 -9.274 1.00 0.00 C ATOM 519 CE2 TYR A 49 -0.973 -12.756 -8.252 1.00 0.00 C ATOM 520 CZ TYR A 49 0.284 -13.382 -8.120 1.00 0.00 C ATOM 521 OH TYR A 49 0.836 -13.580 -6.890 1.00 0.00 O ATOM 522 HH TYR A 49 0.234 -14.148 -6.347 1.00 0.00 H ATOM 523 H TYR A 49 0.619 -13.251 -13.316 1.00 0.00 H ATOM 524 N VAL A 50 0.615 -10.209 -11.078 1.00 0.00 N ATOM 525 CA VAL A 50 0.973 -9.002 -10.308 1.00 0.00 C ATOM 526 C VAL A 50 1.363 -7.827 -11.237 1.00 0.00 C ATOM 527 O VAL A 50 1.099 -6.669 -10.904 1.00 0.00 O ATOM 528 CB VAL A 50 2.028 -9.357 -9.223 1.00 0.00 C ATOM 529 CG1 VAL A 50 3.064 -8.270 -8.949 1.00 0.00 C ATOM 530 CG2 VAL A 50 1.351 -9.739 -7.903 1.00 0.00 C ATOM 531 H VAL A 50 1.188 -11.065 -10.933 1.00 0.00 H ATOM 532 N CYS A 51 1.931 -8.114 -12.418 1.00 0.00 N ATOM 533 CA CYS A 51 2.174 -7.180 -13.512 1.00 0.00 C ATOM 534 C CYS A 51 1.035 -7.184 -14.561 1.00 0.00 C ATOM 535 O CYS A 51 0.392 -6.147 -14.742 1.00 0.00 O ATOM 536 CB CYS A 51 3.541 -7.465 -14.141 1.00 0.00 C ATOM 537 SG CYS A 51 4.926 -7.329 -12.998 1.00 0.00 S ATOM 538 H CYS A 51 2.227 -9.099 -12.568 1.00 0.00 H ATOM 539 N GLN A 52 0.770 -8.309 -15.263 1.00 0.00 N ATOM 540 CA GLN A 52 -0.235 -8.319 -16.336 1.00 0.00 C ATOM 541 C GLN A 52 -1.710 -8.479 -15.916 1.00 0.00 C ATOM 542 O GLN A 52 -2.588 -7.967 -16.616 1.00 0.00 O ATOM 543 CB GLN A 52 0.051 -9.458 -17.325 1.00 0.00 C ATOM 544 CG GLN A 52 0.158 -10.893 -16.786 1.00 0.00 C ATOM 545 CD GLN A 52 -0.351 -11.937 -17.793 1.00 0.00 C ATOM 546 OE1 GLN A 52 0.267 -12.163 -18.827 1.00 0.00 O ATOM 547 NE2 GLN A 52 -1.465 -12.614 -17.573 1.00 0.00 N ATOM 548 HE22 GLN A 52 -2.013 -12.446 -16.705 1.00 0.00 H ATOM 549 HE21 GLN A 52 -1.793 -13.315 -18.268 1.00 0.00 H ATOM 550 H GLN A 52 1.287 -9.183 -15.040 1.00 0.00 H ATOM 551 N ASP A 53 -1.970 -9.193 -14.819 1.00 0.00 N ATOM 552 CA ASP A 53 -3.299 -9.672 -14.371 1.00 0.00 C ATOM 553 C ASP A 53 -3.918 -10.642 -15.412 1.00 0.00 C ATOM 554 O ASP A 53 -4.930 -10.311 -16.076 1.00 0.00 O ATOM 555 CB ASP A 53 -4.231 -8.518 -13.918 1.00 0.00 C ATOM 556 CG ASP A 53 -5.625 -8.975 -13.418 1.00 0.00 C ATOM 557 OD1 ASP A 53 -6.587 -8.169 -13.502 1.00 0.00 O ATOM 558 OD2 ASP A 53 -5.778 -10.123 -12.925 1.00 0.00 O ATOM 559 OXT ASP A 53 -3.338 -11.744 -15.583 1.00 0.00 O ATOM 560 H ASP A 53 -1.158 -9.438 -14.218 1.00 0.00 H TER 561 ASP A 53 HETATM 562 ZN ZN A 1 5.681 -9.460 -12.364 1.00 0.00 ZN HETATM 563 ZN ZN A 2 0.767 -21.866 -7.579 1.00 0.00 ZN HETATM 564 N ALA A 3 12.377 -15.355 -19.585 1.00 0.24 N HETATM 565 CA ALA A 3 11.737 -15.773 -18.299 1.00 0.06 C HETATM 566 C ALA A 3 12.601 -16.889 -17.659 1.00 0.23 C HETATM 567 O ALA A 3 12.668 -17.976 -18.227 1.00 -0.39 O HETATM 568 N ALA A 3 13.307 -16.642 -16.538 1.00 -0.26 N HETATM 569 CA ALA A 3 14.160 -17.656 -15.843 1.00 0.13 C HETATM 570 C ALA A 3 13.326 -18.882 -15.435 1.00 0.20 C HETATM 571 O ALA A 3 12.139 -18.731 -15.153 1.00 -0.39 O HETATM 572 N ALA A 3 13.926 -20.068 -15.358 1.00 -0.26 N HETATM 573 CA ALA A 3 13.224 -21.319 -14.981 1.00 0.16 C HETATM 574 C ALA A 3 14.081 -22.299 -14.184 1.00 0.21 C HETATM 575 O ALA A 3 15.311 -22.304 -14.289 1.00 -0.39 O HETATM 576 N ALA A 3 13.401 -23.124 -13.376 1.00 -0.26 N HETATM 577 CA ALA A 3 13.991 -24.072 -12.434 1.00 0.13 C HETATM 578 CB ALA A 3 14.243 -23.357 -11.083 1.00 -0.01 C HETATM 579 CG ALA A 3 12.941 -23.063 -10.330 1.00 -0.04 C HETATM 580 CD ALA A 3 13.105 -21.983 -9.241 1.00 -0.01 C HETATM 581 CE ALA A 3 13.471 -22.565 -7.864 1.00 -0.03 C HETATM 582 NZ ALA A 3 13.642 -21.506 -6.820 1.00 0.23 N HETATM 583 CH1 ALA A 3 12.359 -20.796 -6.511 1.00 -0.04 C HETATM 584 H39 ALA A 3 12.539 -20.031 -5.741 1.00 0.08 H HETATM 585 H40 ALA A 3 11.619 -21.521 -6.141 1.00 0.08 H HETATM 586 H41 ALA A 3 11.977 -20.315 -7.423 1.00 0.08 H HETATM 587 CH2 ALA A 3 14.171 -22.124 -5.572 1.00 -0.04 C HETATM 588 H42 ALA A 3 15.113 -22.647 -5.793 1.00 0.08 H HETATM 589 H43 ALA A 3 13.437 -22.842 -5.179 1.00 0.08 H HETATM 590 H44 ALA A 3 14.354 -21.339 -4.823 1.00 0.08 H HETATM 591 H38 ALA A 3 14.307 -20.829 -7.160 1.00 0.20 H HETATM 592 H36 ALA A 3 14.414 -23.124 -7.957 1.00 0.08 H HETATM 593 H37 ALA A 3 12.670 -23.248 -7.545 1.00 0.08 H HETATM 594 H34 ALA A 3 12.157 -21.433 -9.148 1.00 0.03 H HETATM 595 H35 ALA A 3 13.902 -21.291 -9.552 1.00 0.03 H HETATM 596 H32 ALA A 3 12.595 -23.992 -9.853 1.00 0.03 H HETATM 597 H33 ALA A 3 12.187 -22.719 -11.054 1.00 0.03 H HETATM 598 H30 ALA A 3 14.762 -22.407 -11.277 1.00 0.03 H HETATM 599 H31 ALA A 3 14.877 -24.000 -10.455 1.00 0.03 H HETATM 600 C ALA A 3 13.086 -25.300 -12.276 1.00 0.20 C HETATM 601 O ALA A 3 11.872 -25.221 -12.472 1.00 -0.39 O HETATM 602 N ALA A 3 13.691 -26.427 -11.886 1.00 -0.26 N HETATM 603 CA ALA A 3 13.002 -27.692 -11.620 1.00 0.13 C HETATM 604 C ALA A 3 13.537 -28.368 -10.346 1.00 0.20 C HETATM 605 O ALA A 3 14.710 -28.218 -9.993 1.00 -0.39 O HETATM 606 N ALA A 3 12.686 -29.149 -9.669 1.00 -0.26 N HETATM 607 CA ALA A 3 13.063 -29.972 -8.503 1.00 0.16 C HETATM 608 C ALA A 3 12.168 -31.218 -8.362 1.00 0.21 C HETATM 609 O ALA A 3 11.126 -31.321 -9.015 1.00 -0.39 O HETATM 610 N ALA A 3 12.592 -32.180 -7.535 1.00 -0.26 N HETATM 611 CA ALA A 3 11.896 -33.454 -7.298 1.00 0.13 C HETATM 612 C ALA A 3 12.199 -34.079 -5.918 1.00 0.20 C HETATM 613 O ALA A 3 11.302 -34.652 -5.292 1.00 -0.39 O HETATM 614 N ALA A 3 13.449 -33.965 -5.438 1.00 -0.26 N HETATM 615 CA ALA A 3 13.930 -34.497 -4.142 1.00 0.13 C HETATM 616 C ALA A 3 15.076 -33.657 -3.546 1.00 0.20 C HETATM 617 O ALA A 3 15.605 -32.765 -4.213 1.00 -0.39 O HETATM 618 N ALA A 3 15.470 -33.966 -2.302 1.00 -0.26 N HETATM 619 CA ALA A 3 16.646 -33.383 -1.611 1.00 0.13 C HETATM 620 C ALA A 3 17.968 -33.608 -2.374 1.00 0.20 C HETATM 621 O ALA A 3 18.066 -34.491 -3.223 1.00 -0.39 O HETATM 622 N ALA A 3 18.997 -32.826 -2.048 1.00 -0.26 N HETATM 623 CA ALA A 3 20.277 -32.738 -2.784 1.00 0.15 C HETATM 624 C ALA A 3 21.258 -33.922 -2.613 1.00 0.21 C HETATM 625 O ALA A 3 22.372 -33.871 -3.149 1.00 -0.39 O HETATM 626 N ALA A 3 20.889 -34.978 -1.876 1.00 -0.26 N HETATM 627 CA ALA A 3 21.754 -36.135 -1.546 1.00 0.16 C HETATM 628 C ALA A 3 22.150 -37.004 -2.749 1.00 0.20 C HETATM 629 O ALA A 3 21.314 -37.241 -3.655 1.00 -0.39 O HETATM 630 N ALA A 3 23.314 -37.468 -2.778 1.00 -0.30 N HETATM 631 H103 ALA A 3 23.606 -38.038 -3.546 1.00 0.18 H HETATM 632 H104 ALA A 3 23.951 -37.268 -2.033 1.00 0.18 H HETATM 633 CB ALA A 3 21.134 -37.006 -0.447 1.00 0.09 C HETATM 634 OG1 ALA A 3 19.865 -37.494 -0.833 1.00 -0.39 O HETATM 635 H99 ALA A 3 19.955 -38.018 -1.620 1.00 0.21 H HETATM 636 CG2 ALA A 3 20.964 -36.230 0.863 1.00 -0.03 C HETATM 637 H100 ALA A 3 20.518 -36.888 1.623 1.00 0.03 H HETATM 638 H101 ALA A 3 20.305 -35.365 0.694 1.00 0.03 H HETATM 639 H102 ALA A 3 21.947 -35.880 1.212 1.00 0.03 H HETATM 640 H98 ALA A 3 21.804 -37.860 -0.268 1.00 0.06 H HETATM 641 H97 ALA A 3 22.687 -35.717 -1.141 1.00 0.08 H HETATM 642 H96 ALA A 3 19.955 -34.986 -1.520 1.00 0.19 H HETATM 643 CB ALA A 3 20.966 -31.419 -2.405 1.00 0.08 C HETATM 644 OG ALA A 3 21.251 -31.384 -1.011 1.00 -0.39 O HETATM 645 H95 ALA A 3 21.676 -30.562 -0.796 1.00 0.21 H HETATM 646 H93 ALA A 3 20.303 -30.579 -2.659 1.00 0.06 H HETATM 647 H94 ALA A 3 21.906 -31.328 -2.968 1.00 0.06 H HETATM 648 H92 ALA A 3 20.025 -32.695 -3.854 1.00 0.08 H HETATM 649 H91 ALA A 3 18.895 -32.250 -1.237 1.00 0.19 H HETATM 650 CB ALA A 3 16.716 -33.897 -0.158 1.00 -0.01 C HETATM 651 CG ALA A 3 16.993 -35.404 -0.036 1.00 -0.04 C HETATM 652 CD ALA A 3 17.023 -35.854 1.431 1.00 -0.01 C HETATM 653 CE ALA A 3 17.297 -37.362 1.511 1.00 -0.04 C HETATM 654 NZ ALA A 3 17.319 -37.853 2.918 1.00 0.22 N HETATM 655 H88 ALA A 3 17.501 -38.844 2.925 1.00 0.20 H HETATM 656 H89 ALA A 3 16.427 -37.672 3.351 1.00 0.20 H HETATM 657 H90 ALA A 3 18.044 -37.374 3.430 1.00 0.20 H HETATM 658 H86 ALA A 3 18.272 -37.571 1.047 1.00 0.08 H HETATM 659 H87 ALA A 3 16.508 -37.896 0.961 1.00 0.08 H HETATM 660 H84 ALA A 3 16.052 -35.635 1.899 1.00 0.03 H HETATM 661 H85 ALA A 3 17.818 -35.310 1.963 1.00 0.03 H HETATM 662 H82 ALA A 3 17.966 -35.627 -0.498 1.00 0.03 H HETATM 663 H83 ALA A 3 16.201 -35.957 -0.563 1.00 0.03 H HETATM 664 H80 ALA A 3 15.754 -33.682 0.331 1.00 0.03 H HETATM 665 H81 ALA A 3 17.520 -33.355 0.361 1.00 0.03 H HETATM 666 H79 ALA A 3 16.488 -32.295 -1.565 1.00 0.08 H HETATM 667 H78 ALA A 3 14.929 -34.642 -1.801 1.00 0.19 H HETATM 668 CB ALA A 3 14.317 -35.985 -4.305 1.00 -0.01 C HETATM 669 CG ALA A 3 15.533 -36.236 -5.217 1.00 -0.02 C HETATM 670 CD ALA A 3 15.957 -37.713 -5.191 1.00 0.06 C HETATM 671 NE ALA A 3 17.295 -37.910 -5.787 1.00 -0.27 N HETATM 672 CZ ALA A 3 18.463 -37.727 -5.188 1.00 0.29 C HETATM 673 NH1 ALA A 3 18.580 -37.332 -3.959 1.00 -0.28 N HETATM 674 H74 ALA A 3 19.515 -37.207 -3.545 1.00 0.26 H HETATM 675 H75 ALA A 3 17.738 -37.144 -3.396 1.00 0.26 H HETATM 676 NH2 ALA A 3 19.594 -37.928 -5.793 1.00 -0.28 N HETATM 677 H76 ALA A 3 19.605 -38.244 -6.773 1.00 0.26 H HETATM 678 H77 ALA A 3 20.481 -37.772 -5.293 1.00 0.26 H HETATM 679 H73 ALA A 3 17.323 -38.221 -6.768 1.00 0.26 H HETATM 680 H71 ALA A 3 15.224 -38.304 -5.759 1.00 0.07 H HETATM 681 H72 ALA A 3 15.978 -38.059 -4.147 1.00 0.07 H HETATM 682 H69 ALA A 3 16.373 -35.616 -4.872 1.00 0.03 H HETATM 683 H70 ALA A 3 15.271 -35.957 -6.248 1.00 0.03 H HETATM 684 H67 ALA A 3 13.454 -36.519 -4.729 1.00 0.03 H HETATM 685 H68 ALA A 3 14.546 -36.391 -3.309 1.00 0.03 H HETATM 686 H66 ALA A 3 13.092 -34.447 -3.432 1.00 0.08 H HETATM 687 H65 ALA A 3 14.113 -33.478 -6.006 1.00 0.19 H HETATM 688 CB ALA A 3 12.277 -34.428 -8.424 1.00 -0.02 C HETATM 689 H62 ALA A 3 11.766 -35.389 -8.266 1.00 0.03 H HETATM 690 H63 ALA A 3 13.366 -34.586 -8.419 1.00 0.03 H HETATM 691 H64 ALA A 3 11.972 -34.006 -9.393 1.00 0.03 H HETATM 692 H61 ALA A 3 10.813 -33.265 -7.347 1.00 0.08 H HETATM 693 H60 ALA A 3 13.447 -32.021 -7.041 1.00 0.19 H HETATM 694 CB ALA A 3 13.106 -29.124 -7.215 1.00 0.09 C HETATM 695 OG1 ALA A 3 13.671 -29.884 -6.164 1.00 -0.39 O HETATM 696 H56 ALA A 3 13.696 -29.359 -5.373 1.00 0.21 H HETATM 697 CG2 ALA A 3 11.736 -28.634 -6.747 1.00 -0.03 C HETATM 698 H57 ALA A 3 11.853 -28.041 -5.828 1.00 0.03 H HETATM 699 H58 ALA A 3 11.087 -29.499 -6.545 1.00 0.03 H HETATM 700 H59 ALA A 3 11.282 -28.010 -7.531 1.00 0.03 H HETATM 701 H55 ALA A 3 13.740 -28.246 -7.408 1.00 0.06 H HETATM 702 H54 ALA A 3 14.086 -30.335 -8.682 1.00 0.08 H HETATM 703 H53 ALA A 3 11.734 -29.177 -9.973 1.00 0.19 H HETATM 704 CB ALA A 3 13.125 -28.661 -12.812 1.00 0.00 C HETATM 705 CG ALA A 3 12.468 -28.202 -14.129 1.00 0.04 C HETATM 706 CD ALA A 3 13.272 -27.187 -14.952 1.00 0.17 C HETATM 707 OE1 ALA A 3 12.753 -26.184 -15.430 1.00 -0.40 O HETATM 708 NE2 ALA A 3 14.559 -27.391 -15.165 1.00 -0.30 N HETATM 709 H51 ALA A 3 15.088 -26.733 -15.701 1.00 0.18 H HETATM 710 H52 ALA A 3 15.005 -28.204 -14.791 1.00 0.18 H HETATM 711 H49 ALA A 3 11.498 -27.745 -13.882 1.00 0.05 H HETATM 712 H50 ALA A 3 12.306 -29.092 -14.755 1.00 0.05 H HETATM 713 H47 ALA A 3 12.661 -29.614 -12.519 1.00 0.03 H HETATM 714 H48 ALA A 3 14.196 -28.819 -13.008 1.00 0.03 H HETATM 715 H46 ALA A 3 11.936 -27.469 -11.468 1.00 0.08 H HETATM 716 H45 ALA A 3 14.684 -26.405 -11.768 1.00 0.19 H HETATM 717 H29 ALA A 3 14.959 -24.410 -12.833 1.00 0.08 H HETATM 718 H28 ALA A 3 12.403 -23.087 -13.422 1.00 0.19 H HETATM 719 CB ALA A 3 12.590 -22.043 -16.178 1.00 0.09 C HETATM 720 OG1 ALA A 3 13.364 -21.946 -17.362 1.00 -0.39 O HETATM 721 H24 ALA A 3 12.925 -22.410 -18.065 1.00 0.21 H HETATM 722 CG2 ALA A 3 11.206 -21.466 -16.449 1.00 -0.03 C HETATM 723 H25 ALA A 3 10.754 -21.986 -17.306 1.00 0.03 H HETATM 724 H26 ALA A 3 11.294 -20.393 -16.675 1.00 0.03 H HETATM 725 H27 ALA A 3 10.571 -21.603 -15.561 1.00 0.03 H HETATM 726 H23 ALA A 3 12.489 -23.107 -15.919 1.00 0.06 H HETATM 727 H22 ALA A 3 12.399 -21.014 -14.321 1.00 0.08 H HETATM 728 H21 ALA A 3 14.903 -20.118 -15.566 1.00 0.19 H HETATM 729 CB ALA A 3 14.834 -17.001 -14.610 1.00 -0.01 C HETATM 730 CG ALA A 3 16.272 -17.402 -14.283 1.00 -0.02 C HETATM 731 CD ALA A 3 16.835 -16.509 -13.155 1.00 0.06 C HETATM 732 NE ALA A 3 18.151 -17.024 -12.722 1.00 -0.27 N HETATM 733 CZ ALA A 3 18.661 -17.081 -11.502 1.00 0.29 C HETATM 734 NH1 ALA A 3 18.043 -16.650 -10.439 1.00 -0.28 N HETATM 735 H17 ALA A 3 18.494 -16.723 -9.516 1.00 0.26 H HETATM 736 H18 ALA A 3 17.103 -16.237 -10.522 1.00 0.26 H HETATM 737 NH2 ALA A 3 19.847 -17.589 -11.323 1.00 -0.28 N HETATM 738 H19 ALA A 3 20.381 -17.945 -12.128 1.00 0.26 H HETATM 739 H20 ALA A 3 20.250 -17.634 -10.376 1.00 0.26 H HETATM 740 H16 ALA A 3 18.754 -17.389 -13.473 1.00 0.26 H HETATM 741 H14 ALA A 3 16.141 -16.516 -12.302 1.00 0.07 H HETATM 742 H15 ALA A 3 16.949 -15.480 -13.526 1.00 0.07 H HETATM 743 H12 ALA A 3 16.895 -17.286 -15.182 1.00 0.03 H HETATM 744 H13 ALA A 3 16.291 -18.453 -13.957 1.00 0.03 H HETATM 745 H10 ALA A 3 14.218 -17.245 -13.732 1.00 0.03 H HETATM 746 H11 ALA A 3 14.826 -15.913 -14.772 1.00 0.03 H HETATM 747 H9 ALA A 3 14.946 -17.989 -16.536 1.00 0.08 H HETATM 748 H8 ALA A 3 13.258 -15.723 -16.146 1.00 0.19 H HETATM 749 CB ALA A 3 10.279 -16.262 -18.522 1.00 -0.00 C HETATM 750 H5 ALA A 3 9.841 -16.560 -17.558 1.00 0.03 H HETATM 751 H6 ALA A 3 10.282 -17.123 -19.206 1.00 0.03 H HETATM 752 H7 ALA A 3 9.682 -15.448 -18.960 1.00 0.03 H HETATM 753 H4 ALA A 3 11.711 -14.909 -17.619 1.00 0.11 H HETATM 754 H1 ALA A 3 11.826 -14.628 -20.014 1.00 0.20 H HETATM 755 H2 ALA A 3 12.431 -16.147 -20.206 1.00 0.20 H HETATM 756 H3 ALA A 3 13.305 -15.008 -19.401 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 137 136 563 CONECT 153 152 563 CONECT 272 271 562 CONECT 299 298 562 CONECT 354 353 356 563 CONECT 377 376 563 CONECT 508 507 562 CONECT 537 536 562 CONECT 562 272 299 508 537 CONECT 563 137 153 354 377 CONECT 564 565 754 755 756 CONECT 565 564 566 749 753 CONECT 566 565 567 568 CONECT 567 566 CONECT 568 566 569 748 CONECT 569 568 570 729 747 CONECT 570 569 571 572 CONECT 571 570 CONECT 572 570 573 728 CONECT 573 572 574 719 727 CONECT 574 573 575 576 CONECT 575 574 CONECT 576 574 577 718 CONECT 577 576 578 600 717 CONECT 578 577 579 598 599 CONECT 579 578 580 596 597 CONECT 580 579 581 594 595 CONECT 581 580 582 592 593 CONECT 582 581 583 587 591 CONECT 583 582 584 585 586 CONECT 584 583 CONECT 585 583 CONECT 586 583 CONECT 587 582 588 589 590 CONECT 588 587 CONECT 589 587 CONECT 590 587 CONECT 591 582 CONECT 592 581 CONECT 593 581 CONECT 594 580 CONECT 595 580 CONECT 596 579 CONECT 597 579 CONECT 598 578 CONECT 599 578 CONECT 600 577 601 602 CONECT 601 600 CONECT 602 600 603 716 CONECT 603 602 604 704 715 CONECT 604 603 605 606 CONECT 605 604 CONECT 606 604 607 703 CONECT 607 606 608 694 702 CONECT 608 607 609 610 CONECT 609 608 CONECT 610 608 611 693 CONECT 611 610 612 688 692 CONECT 612 611 613 614 CONECT 613 612 CONECT 614 612 615 687 CONECT 615 614 616 668 686 CONECT 616 615 617 618 CONECT 617 616 CONECT 618 616 619 667 CONECT 619 618 620 650 666 CONECT 620 619 621 622 CONECT 621 620 CONECT 622 620 623 649 CONECT 623 622 624 643 648 CONECT 624 623 625 626 CONECT 625 624 CONECT 626 624 627 642 CONECT 627 626 628 633 641 CONECT 628 627 629 630 CONECT 629 628 CONECT 630 628 631 632 CONECT 631 630 CONECT 632 630 CONECT 633 627 634 636 640 CONECT 634 633 635 CONECT 635 634 CONECT 636 633 637 638 639 CONECT 637 636 CONECT 638 636 CONECT 639 636 CONECT 640 633 CONECT 641 627 CONECT 642 626 CONECT 643 623 644 646 647 CONECT 644 643 645 CONECT 645 644 CONECT 646 643 CONECT 647 643 CONECT 648 623 CONECT 649 622 CONECT 650 619 651 664 665 CONECT 651 650 652 662 663 CONECT 652 651 653 660 661 CONECT 653 652 654 658 659 CONECT 654 653 655 656 657 CONECT 655 654 CONECT 656 654 CONECT 657 654 CONECT 658 653 CONECT 659 653 CONECT 660 652 CONECT 661 652 CONECT 662 651 CONECT 663 651 CONECT 664 650 CONECT 665 650 CONECT 666 619 CONECT 667 618 CONECT 668 615 669 684 685 CONECT 669 668 670 682 683 CONECT 670 669 671 680 681 CONECT 671 670 672 679 CONECT 672 671 673 676 CONECT 673 672 674 675 CONECT 674 673 CONECT 675 673 CONECT 676 672 677 678 CONECT 677 676 CONECT 678 676 CONECT 679 671 CONECT 680 670 CONECT 681 670 CONECT 682 669 CONECT 683 669 CONECT 684 668 CONECT 685 668 CONECT 686 615 CONECT 687 614 CONECT 688 611 689 690 691 CONECT 689 688 CONECT 690 688 CONECT 691 688 CONECT 692 611 CONECT 693 610 CONECT 694 607 695 697 701 CONECT 695 694 696 CONECT 696 695 CONECT 697 694 698 699 700 CONECT 698 697 CONECT 699 697 CONECT 700 697 CONECT 701 694 CONECT 702 607 CONECT 703 606 CONECT 704 603 705 713 714 CONECT 705 704 706 711 712 CONECT 706 705 707 708 CONECT 707 706 CONECT 708 706 709 710 CONECT 709 708 CONECT 710 708 CONECT 711 705 CONECT 712 705 CONECT 713 704 CONECT 714 704 CONECT 715 603 CONECT 716 602 CONECT 717 577 CONECT 718 576 CONECT 719 573 720 722 726 CONECT 720 719 721 CONECT 721 720 CONECT 722 719 723 724 725 CONECT 723 722 CONECT 724 722 CONECT 725 722 CONECT 726 719 CONECT 727 573 CONECT 728 572 CONECT 729 569 730 745 746 CONECT 730 729 731 743 744 CONECT 731 730 732 741 742 CONECT 732 731 733 740 CONECT 733 732 734 737 CONECT 734 733 735 736 CONECT 735 734 CONECT 736 734 CONECT 737 733 738 739 CONECT 738 737 CONECT 739 737 CONECT 740 732 CONECT 741 731 CONECT 742 731 CONECT 743 730 CONECT 744 730 CONECT 745 729 CONECT 746 729 CONECT 747 569 CONECT 748 568 CONECT 749 565 750 751 752 CONECT 750 749 CONECT 751 749 CONECT 752 749 CONECT 753 565 CONECT 754 564 CONECT 755 564 CONECT 756 564 MASTER 0 0 0 0 0 0 0 0 755 1 207 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: 5tbn
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kff
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
5tbn
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PHD finger protein 20, PHF20 PHD domain
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=3.6uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Cell Rep Vol. 17: pp. 1158-1170
Ligand Properties
Formula
C
5
2
H
1
0
4
N
2
1
O
1
6
Molecular Weight
1279.510
Exact Mass
1278.800
No. of atoms
193
No. of bonds
192
Polar Surface Area
649.84
LOGP Value
-5.65 (
Computed with XLOGP3
)
-9.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 59
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)[C@H](O)C)CO)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[NH+](C)C)CCC(=O)N)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C52H99N21O16/c1-25(54)41(80)64-33(17-13-22-62-52(59)60)46(85)72-39(29(5)77)50(89)68-31(15-9-11-23-73(6)7)43(82)67-34(18-19-36(55)78)47(86)71-38(28(4)76)49(88)63-26(2)42(81)65-32(16-12-21-61-51(57)58)44(83)66-30(14-8-10-20-53)45(84)69-35(24-74)48(87)70-37(27(3)75)40(56)79/h25-35,37-39,74-77H,8-24,53-54H2,1-7H3,(H2,55,78)(H2,56,79)(H,63,88)(H,64,80)(H,65,81)(H,66,83)(H,67,82)(H,68,89)(H,69,84)(H,70,87)(H,71,86)(H,72,85)(H4,57,58,61)(H4,59,60,62)/p+5/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,37-,38-,39-/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):
Q9BVI0
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
51230
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
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