Browse entries in the PDBbind-CN Database
HEADER 2W85_COMPLEX COMPND 2W85_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 GLU ASN VAL LEU PRO ARG GLU PRO LEU ILE ALA THR ALA SEQRES 2 A 57 VAL LYS PHE LEU GLN ASN SER ARG VAL ARG GLN SER PRO SEQRES 3 A 57 LEU ALA THR ARG ARG ALA PHE LEU LYS LYS LYS GLY LEU SEQRES 4 A 57 THR ASP GLU GLU ILE ASP MET ALA PHE GLN GLN SER GLY SEQRES 5 A 57 THR ALA ALA ASP GLU HET SER A 58 202 ATOM 1 N GLU A 20 -16.282 -2.693 1.737 1.00 0.00 N ATOM 2 CA GLU A 20 -14.972 -3.118 2.190 1.00 0.00 C ATOM 3 C GLU A 20 -13.887 -2.250 1.564 1.00 0.00 C ATOM 4 O GLU A 20 -12.880 -1.946 2.210 1.00 0.00 O ATOM 5 CB GLU A 20 -14.727 -4.610 1.898 1.00 0.00 C ATOM 6 CG GLU A 20 -14.733 -5.008 0.430 1.00 0.00 C ATOM 7 CD GLU A 20 -16.035 -4.700 -0.280 1.00 0.00 C ATOM 8 OE1 GLU A 20 -16.147 -3.611 -0.876 1.00 0.00 O ATOM 9 OE2 GLU A 20 -16.959 -5.538 -0.226 1.00 0.00 O ATOM 10 HA GLU A 20 -14.933 -2.992 3.272 1.00 0.00 H ATOM 11 HB2 GLU A 20 -13.755 -4.877 2.313 1.00 0.00 H ATOM 12 HB3 GLU A 20 -15.506 -5.182 2.403 1.00 0.00 H ATOM 13 HG2 GLU A 20 -13.930 -4.471 -0.075 1.00 0.00 H ATOM 14 HG3 GLU A 20 -14.550 -6.080 0.363 1.00 0.00 H ATOM 15 HN3 GLU A 20 -16.334 -2.778 0.702 1.00 0.00 H ATOM 16 HN2 GLU A 20 -16.438 -1.702 2.013 1.00 0.00 H ATOM 17 HN1 GLU A 20 -17.010 -3.294 2.173 1.00 0.00 H ATOM 18 N ASN A 21 -14.106 -1.856 0.302 1.00 0.00 N ATOM 19 CA ASN A 21 -13.179 -0.992 -0.447 1.00 0.00 C ATOM 20 C ASN A 21 -11.924 -1.758 -0.879 1.00 0.00 C ATOM 21 O ASN A 21 -11.322 -1.456 -1.911 1.00 0.00 O ATOM 22 CB ASN A 21 -12.813 0.263 0.368 1.00 0.00 C ATOM 23 CG ASN A 21 -11.715 1.094 -0.275 1.00 0.00 C ATOM 24 OD1 ASN A 21 -11.971 1.917 -1.151 1.00 0.00 O ATOM 25 ND2 ASN A 21 -10.485 0.905 0.181 1.00 0.00 N ATOM 26 HA ASN A 21 -13.690 -0.666 -1.353 1.00 0.00 H ATOM 27 HB2 ASN A 21 -13.704 0.883 0.469 1.00 0.00 H ATOM 28 HB3 ASN A 21 -12.477 -0.051 1.356 1.00 0.00 H ATOM 29 HD22 ASN A 21 -10.309 0.199 0.924 1.00 0.00 H ATOM 30 HD21 ASN A 21 -9.696 1.463 -0.204 1.00 0.00 H ATOM 31 H ASN A 21 -14.974 -2.177 -0.172 1.00 0.00 H ATOM 32 N VAL A 22 -11.554 -2.765 -0.103 1.00 0.00 N ATOM 33 CA VAL A 22 -10.387 -3.583 -0.394 1.00 0.00 C ATOM 34 C VAL A 22 -10.706 -4.611 -1.481 1.00 0.00 C ATOM 35 O VAL A 22 -10.759 -5.817 -1.232 1.00 0.00 O ATOM 36 CB VAL A 22 -9.885 -4.305 0.874 1.00 0.00 C ATOM 37 CG1 VAL A 22 -8.533 -4.953 0.629 1.00 0.00 C ATOM 38 CG2 VAL A 22 -9.810 -3.339 2.047 1.00 0.00 C ATOM 39 HA VAL A 22 -9.600 -2.920 -0.752 1.00 0.00 H ATOM 40 HB VAL A 22 -10.599 -5.091 1.120 1.00 0.00 H ATOM 41 HG11 VAL A 22 -8.621 -5.681 -0.178 1.00 0.00 H ATOM 42 HG12 VAL A 22 -7.809 -4.187 0.351 1.00 0.00 H ATOM 43 HG13 VAL A 22 -8.202 -5.455 1.538 1.00 0.00 H ATOM 44 HG21 VAL A 22 -9.122 -2.529 1.806 1.00 0.00 H ATOM 45 HG22 VAL A 22 -10.801 -2.929 2.243 1.00 0.00 H ATOM 46 HG23 VAL A 22 -9.454 -3.869 2.930 1.00 0.00 H ATOM 47 H VAL A 22 -12.118 -2.979 0.744 1.00 0.00 H ATOM 48 N LEU A 23 -10.964 -4.112 -2.676 1.00 0.00 N ATOM 49 CA LEU A 23 -11.162 -4.960 -3.836 1.00 0.00 C ATOM 50 C LEU A 23 -9.857 -5.013 -4.622 1.00 0.00 C ATOM 51 O LEU A 23 -9.408 -3.992 -5.145 1.00 0.00 O ATOM 52 CB LEU A 23 -12.310 -4.414 -4.704 1.00 0.00 C ATOM 53 CG LEU A 23 -13.012 -5.428 -5.623 1.00 0.00 C ATOM 54 CD1 LEU A 23 -14.280 -4.823 -6.206 1.00 0.00 C ATOM 55 CD2 LEU A 23 -12.092 -5.891 -6.746 1.00 0.00 C ATOM 56 HA LEU A 23 -11.437 -5.968 -3.524 1.00 0.00 H ATOM 57 HB2 LEU A 23 -13.062 -3.995 -4.035 1.00 0.00 H ATOM 58 HB3 LEU A 23 -11.903 -3.622 -5.333 1.00 0.00 H ATOM 59 HG LEU A 23 -13.274 -6.297 -5.020 1.00 0.00 H ATOM 60 HD21 LEU A 23 -11.791 -5.031 -7.345 1.00 0.00 H ATOM 61 HD22 LEU A 23 -11.209 -6.365 -6.318 1.00 0.00 H ATOM 62 HD23 LEU A 23 -12.621 -6.607 -7.376 1.00 0.00 H ATOM 63 HD11 LEU A 23 -14.956 -4.549 -5.396 1.00 0.00 H ATOM 64 HD12 LEU A 23 -14.025 -3.935 -6.784 1.00 0.00 H ATOM 65 HD13 LEU A 23 -14.765 -5.553 -6.854 1.00 0.00 H ATOM 66 H LEU A 23 -11.027 -3.080 -2.789 1.00 0.00 H ATOM 67 N PRO A 24 -9.225 -6.193 -4.689 1.00 0.00 N ATOM 68 CA PRO A 24 -7.935 -6.372 -5.368 1.00 0.00 C ATOM 69 C PRO A 24 -7.994 -5.965 -6.841 1.00 0.00 C ATOM 70 O PRO A 24 -8.615 -6.641 -7.666 1.00 0.00 O ATOM 71 CB PRO A 24 -7.653 -7.874 -5.224 1.00 0.00 C ATOM 72 CG PRO A 24 -8.967 -8.492 -4.894 1.00 0.00 C ATOM 73 CD PRO A 24 -9.719 -7.455 -4.116 1.00 0.00 C ATOM 74 HA PRO A 24 -7.156 -5.744 -4.935 1.00 0.00 H ATOM 75 HD3 PRO A 24 -10.794 -7.558 -4.262 1.00 0.00 H ATOM 76 HD2 PRO A 24 -9.490 -7.519 -3.052 1.00 0.00 H ATOM 77 HG3 PRO A 24 -8.825 -9.390 -4.293 1.00 0.00 H ATOM 78 HG2 PRO A 24 -9.506 -8.749 -5.806 1.00 0.00 H ATOM 79 HB2 PRO A 24 -7.263 -8.281 -6.157 1.00 0.00 H ATOM 80 HB3 PRO A 24 -6.935 -8.053 -4.424 1.00 0.00 H ATOM 81 N ARG A 25 -7.346 -4.853 -7.160 1.00 0.00 N ATOM 82 CA ARG A 25 -7.388 -4.284 -8.499 1.00 0.00 C ATOM 83 C ARG A 25 -5.999 -3.847 -8.944 1.00 0.00 C ATOM 84 O ARG A 25 -5.233 -3.274 -8.171 1.00 0.00 O ATOM 85 CB ARG A 25 -8.336 -3.084 -8.533 1.00 0.00 C ATOM 86 CG ARG A 25 -9.809 -3.459 -8.533 1.00 0.00 C ATOM 87 CD ARG A 25 -10.696 -2.223 -8.542 1.00 0.00 C ATOM 88 NE ARG A 25 -12.088 -2.543 -8.859 1.00 0.00 N ATOM 89 CZ ARG A 25 -13.119 -1.736 -8.609 1.00 0.00 C ATOM 90 NH1 ARG A 25 -12.933 -0.579 -7.981 1.00 0.00 N ATOM 91 NH2 ARG A 25 -14.341 -2.091 -8.982 1.00 0.00 N ATOM 92 HA ARG A 25 -7.751 -5.052 -9.182 1.00 0.00 H ATOM 93 HB2 ARG A 25 -8.139 -2.467 -7.657 1.00 0.00 H ATOM 94 HB3 ARG A 25 -8.129 -2.509 -9.435 1.00 0.00 H ATOM 95 HG2 ARG A 25 -10.023 -4.056 -9.419 1.00 0.00 H ATOM 96 HG3 ARG A 25 -10.026 -4.045 -7.640 1.00 0.00 H ATOM 97 HD2 ARG A 25 -10.318 -1.525 -9.288 1.00 0.00 H ATOM 98 HD3 ARG A 25 -10.658 -1.757 -7.558 1.00 0.00 H ATOM 99 HE ARG A 25 -12.286 -3.460 -9.309 1.00 0.00 H ATOM 100 HH12 ARG A 25 -13.743 0.045 -7.790 1.00 0.00 H ATOM 101 HH11 ARG A 25 -11.978 -0.298 -7.681 1.00 0.00 H ATOM 102 HH22 ARG A 25 -15.147 -1.463 -8.788 1.00 0.00 H ATOM 103 HH21 ARG A 25 -14.493 -2.997 -9.469 1.00 0.00 H ATOM 104 H ARG A 25 -6.788 -4.370 -6.427 1.00 0.00 H ATOM 105 N GLU A 26 -5.699 -4.117 -10.209 1.00 0.00 N ATOM 106 CA GLU A 26 -4.424 -3.748 -10.814 1.00 0.00 C ATOM 107 C GLU A 26 -4.197 -2.225 -10.814 1.00 0.00 C ATOM 108 O GLU A 26 -3.076 -1.781 -10.573 1.00 0.00 O ATOM 109 CB GLU A 26 -4.341 -4.294 -12.239 1.00 0.00 C ATOM 110 CG GLU A 26 -2.997 -4.050 -12.906 1.00 0.00 C ATOM 111 CD GLU A 26 -2.952 -4.568 -14.326 1.00 0.00 C ATOM 112 OE1 GLU A 26 -3.156 -3.770 -15.265 1.00 0.00 O ATOM 113 OE2 GLU A 26 -2.722 -5.777 -14.512 1.00 0.00 O ATOM 114 HA GLU A 26 -3.635 -4.192 -10.207 1.00 0.00 H ATOM 115 HB2 GLU A 26 -4.521 -5.369 -12.208 1.00 0.00 H ATOM 116 HB3 GLU A 26 -5.115 -3.815 -12.838 1.00 0.00 H ATOM 117 HG2 GLU A 26 -2.802 -2.978 -12.919 1.00 0.00 H ATOM 118 HG3 GLU A 26 -2.222 -4.552 -12.326 1.00 0.00 H ATOM 119 H GLU A 26 -6.403 -4.612 -10.793 1.00 0.00 H ATOM 120 N PRO A 27 -5.232 -1.393 -11.112 1.00 0.00 N ATOM 121 CA PRO A 27 -5.121 0.065 -10.985 1.00 0.00 C ATOM 122 C PRO A 27 -4.583 0.493 -9.615 1.00 0.00 C ATOM 123 O PRO A 27 -3.902 1.515 -9.496 1.00 0.00 O ATOM 124 CB PRO A 27 -6.559 0.575 -11.180 1.00 0.00 C ATOM 125 CG PRO A 27 -7.425 -0.637 -11.221 1.00 0.00 C ATOM 126 CD PRO A 27 -6.548 -1.774 -11.652 1.00 0.00 C ATOM 127 HA PRO A 27 -4.418 0.473 -11.711 1.00 0.00 H ATOM 128 HD3 PRO A 27 -6.890 -2.717 -11.226 1.00 0.00 H ATOM 129 HD2 PRO A 27 -6.518 -1.857 -12.738 1.00 0.00 H ATOM 130 HG3 PRO A 27 -8.237 -0.496 -11.935 1.00 0.00 H ATOM 131 HG2 PRO A 27 -7.841 -0.836 -10.234 1.00 0.00 H ATOM 132 HB2 PRO A 27 -6.848 1.219 -10.350 1.00 0.00 H ATOM 133 HB3 PRO A 27 -6.640 1.130 -12.114 1.00 0.00 H ATOM 134 N LEU A 28 -4.878 -0.298 -8.585 1.00 0.00 N ATOM 135 CA LEU A 28 -4.364 -0.032 -7.249 1.00 0.00 C ATOM 136 C LEU A 28 -2.865 -0.255 -7.214 1.00 0.00 C ATOM 137 O LEU A 28 -2.127 0.550 -6.659 1.00 0.00 O ATOM 138 CB LEU A 28 -5.024 -0.937 -6.213 1.00 0.00 C ATOM 139 CG LEU A 28 -6.530 -0.768 -6.050 1.00 0.00 C ATOM 140 CD1 LEU A 28 -7.048 -1.773 -5.038 1.00 0.00 C ATOM 141 CD2 LEU A 28 -6.869 0.652 -5.617 1.00 0.00 C ATOM 142 HA LEU A 28 -4.593 1.006 -7.007 1.00 0.00 H ATOM 143 HB2 LEU A 28 -4.832 -1.971 -6.500 1.00 0.00 H ATOM 144 HB3 LEU A 28 -4.558 -0.737 -5.248 1.00 0.00 H ATOM 145 HG LEU A 28 -7.012 -0.949 -7.010 1.00 0.00 H ATOM 146 HD21 LEU A 28 -6.385 0.865 -4.664 1.00 0.00 H ATOM 147 HD22 LEU A 28 -6.515 1.355 -6.371 1.00 0.00 H ATOM 148 HD23 LEU A 28 -7.949 0.749 -5.507 1.00 0.00 H ATOM 149 HD11 LEU A 28 -6.832 -2.783 -5.387 1.00 0.00 H ATOM 150 HD12 LEU A 28 -6.558 -1.606 -4.079 1.00 0.00 H ATOM 151 HD13 LEU A 28 -8.125 -1.650 -4.924 1.00 0.00 H ATOM 152 H LEU A 28 -5.490 -1.125 -8.739 1.00 0.00 H ATOM 153 N ILE A 29 -2.429 -1.355 -7.819 1.00 0.00 N ATOM 154 CA ILE A 29 -1.011 -1.692 -7.889 1.00 0.00 C ATOM 155 C ILE A 29 -0.239 -0.578 -8.587 1.00 0.00 C ATOM 156 O ILE A 29 0.781 -0.106 -8.086 1.00 0.00 O ATOM 157 CB ILE A 29 -0.781 -3.015 -8.654 1.00 0.00 C ATOM 158 CG1 ILE A 29 -1.619 -4.147 -8.048 1.00 0.00 C ATOM 159 CG2 ILE A 29 0.700 -3.386 -8.654 1.00 0.00 C ATOM 160 CD1 ILE A 29 -1.288 -4.443 -6.601 1.00 0.00 C ATOM 161 HA ILE A 29 -0.653 -1.811 -6.866 1.00 0.00 H ATOM 162 HB ILE A 29 -1.099 -2.870 -9.686 1.00 0.00 H ATOM 163 HG12 ILE A 29 -2.671 -3.868 -8.110 1.00 0.00 H ATOM 164 HG13 ILE A 29 -1.449 -5.052 -8.632 1.00 0.00 H ATOM 165 HD11 ILE A 29 -0.241 -4.736 -6.522 1.00 0.00 H ATOM 166 HD12 ILE A 29 -1.464 -3.551 -6.000 1.00 0.00 H ATOM 167 HD13 ILE A 29 -1.922 -5.255 -6.243 1.00 0.00 H ATOM 168 HG21 ILE A 29 1.272 -2.594 -9.138 1.00 0.00 H ATOM 169 HG22 ILE A 29 1.043 -3.508 -7.626 1.00 0.00 H ATOM 170 HG23 ILE A 29 0.839 -4.320 -9.198 1.00 0.00 H ATOM 171 H ILE A 29 -3.121 -1.996 -8.257 1.00 0.00 H ATOM 172 N ALA A 30 -0.749 -0.158 -9.742 1.00 0.00 N ATOM 173 CA ALA A 30 -0.128 0.910 -10.520 1.00 0.00 C ATOM 174 C ALA A 30 -0.015 2.192 -9.702 1.00 0.00 C ATOM 175 O ALA A 30 1.045 2.824 -9.658 1.00 0.00 O ATOM 176 CB ALA A 30 -0.914 1.166 -11.798 1.00 0.00 C ATOM 177 HA ALA A 30 0.879 0.588 -10.786 1.00 0.00 H ATOM 178 HB1 ALA A 30 -0.935 0.256 -12.398 1.00 0.00 H ATOM 179 HB2 ALA A 30 -1.933 1.459 -11.544 1.00 0.00 H ATOM 180 HB3 ALA A 30 -0.435 1.965 -12.364 1.00 0.00 H ATOM 181 H ALA A 30 -1.617 -0.604 -10.102 1.00 0.00 H ATOM 182 N THR A 31 -1.107 2.566 -9.044 1.00 0.00 N ATOM 183 CA THR A 31 -1.127 3.752 -8.198 1.00 0.00 C ATOM 184 C THR A 31 -0.175 3.590 -7.007 1.00 0.00 C ATOM 185 O THR A 31 0.480 4.546 -6.586 1.00 0.00 O ATOM 186 CB THR A 31 -2.553 4.036 -7.688 1.00 0.00 C ATOM 187 OG1 THR A 31 -3.463 4.094 -8.796 1.00 0.00 O ATOM 188 CG2 THR A 31 -2.609 5.349 -6.924 1.00 0.00 C ATOM 189 HA THR A 31 -0.793 4.595 -8.803 1.00 0.00 H ATOM 190 HB THR A 31 -2.839 3.228 -7.014 1.00 0.00 H ATOM 191 HG1 THR A 31 -3.453 3.228 -9.276 1.00 0.00 H ATOM 192 HG23 THR A 31 -1.918 5.307 -6.082 1.00 0.00 H ATOM 193 HG21 THR A 31 -2.326 6.166 -7.587 1.00 0.00 H ATOM 194 HG22 THR A 31 -3.622 5.511 -6.557 1.00 0.00 H ATOM 195 H THR A 31 -1.972 1.996 -9.135 1.00 0.00 H ATOM 196 N ALA A 32 -0.090 2.369 -6.488 1.00 0.00 N ATOM 197 CA ALA A 32 0.756 2.076 -5.341 1.00 0.00 C ATOM 198 C ALA A 32 2.230 2.172 -5.700 1.00 0.00 C ATOM 199 O ALA A 32 2.986 2.834 -5.008 1.00 0.00 O ATOM 200 CB ALA A 32 0.435 0.703 -4.770 1.00 0.00 C ATOM 201 HA ALA A 32 0.548 2.826 -4.578 1.00 0.00 H ATOM 202 HB1 ALA A 32 -0.608 0.677 -4.454 1.00 0.00 H ATOM 203 HB2 ALA A 32 0.603 -0.055 -5.535 1.00 0.00 H ATOM 204 HB3 ALA A 32 1.080 0.507 -3.914 1.00 0.00 H ATOM 205 H ALA A 32 -0.645 1.600 -6.915 1.00 0.00 H ATOM 206 N VAL A 33 2.632 1.524 -6.789 1.00 0.00 N ATOM 207 CA VAL A 33 4.025 1.563 -7.231 1.00 0.00 C ATOM 208 C VAL A 33 4.472 3.008 -7.464 1.00 0.00 C ATOM 209 O VAL A 33 5.576 3.398 -7.073 1.00 0.00 O ATOM 210 CB VAL A 33 4.232 0.737 -8.522 1.00 0.00 C ATOM 211 CG1 VAL A 33 5.657 0.874 -9.038 1.00 0.00 C ATOM 212 CG2 VAL A 33 3.891 -0.728 -8.284 1.00 0.00 C ATOM 213 HA VAL A 33 4.633 1.121 -6.441 1.00 0.00 H ATOM 214 HB VAL A 33 3.557 1.131 -9.282 1.00 0.00 H ATOM 215 HG11 VAL A 33 5.864 1.922 -9.257 1.00 0.00 H ATOM 216 HG12 VAL A 33 6.353 0.516 -8.279 1.00 0.00 H ATOM 217 HG13 VAL A 33 5.772 0.282 -9.946 1.00 0.00 H ATOM 218 HG21 VAL A 33 4.537 -1.128 -7.502 1.00 0.00 H ATOM 219 HG22 VAL A 33 2.849 -0.812 -7.975 1.00 0.00 H ATOM 220 HG23 VAL A 33 4.044 -1.290 -9.206 1.00 0.00 H ATOM 221 H VAL A 33 1.940 0.977 -7.339 1.00 0.00 H ATOM 222 N LYS A 34 3.594 3.797 -8.084 1.00 0.00 N ATOM 223 CA LYS A 34 3.837 5.225 -8.278 1.00 0.00 C ATOM 224 C LYS A 34 4.043 5.905 -6.933 1.00 0.00 C ATOM 225 O LYS A 34 4.986 6.667 -6.744 1.00 0.00 O ATOM 226 CB LYS A 34 2.654 5.864 -9.030 1.00 0.00 C ATOM 227 CG LYS A 34 2.706 7.390 -9.123 1.00 0.00 C ATOM 228 CD LYS A 34 2.041 8.072 -7.925 1.00 0.00 C ATOM 229 CE LYS A 34 0.557 7.754 -7.849 1.00 0.00 C ATOM 230 NZ LYS A 34 -0.174 8.235 -9.047 1.00 0.00 N ATOM 231 HA LYS A 34 4.739 5.355 -8.875 1.00 0.00 H ATOM 232 HB2 LYS A 34 2.638 5.462 -10.043 1.00 0.00 H ATOM 233 HB3 LYS A 34 1.734 5.586 -8.516 1.00 0.00 H ATOM 234 HG2 LYS A 34 3.749 7.703 -9.169 1.00 0.00 H ATOM 235 HG3 LYS A 34 2.194 7.703 -10.033 1.00 0.00 H ATOM 236 HD2 LYS A 34 2.523 7.728 -7.010 1.00 0.00 H ATOM 237 HD3 LYS A 34 2.167 9.151 -8.018 1.00 0.00 H ATOM 238 HE2 LYS A 34 0.138 8.234 -6.964 1.00 0.00 H ATOM 239 HE3 LYS A 34 0.431 6.674 -7.769 1.00 0.00 H ATOM 240 HZ1 LYS A 34 -0.065 9.266 -9.127 1.00 0.00 H ATOM 241 HZ2 LYS A 34 0.215 7.777 -9.896 1.00 0.00 H ATOM 242 HZ3 LYS A 34 -1.182 7.998 -8.955 1.00 0.00 H ATOM 243 H LYS A 34 2.709 3.383 -8.441 1.00 0.00 H ATOM 244 N PHE A 35 3.140 5.612 -6.007 1.00 0.00 N ATOM 245 CA PHE A 35 3.189 6.167 -4.666 1.00 0.00 C ATOM 246 C PHE A 35 4.525 5.846 -3.997 1.00 0.00 C ATOM 247 O PHE A 35 5.255 6.742 -3.567 1.00 0.00 O ATOM 248 CB PHE A 35 2.038 5.597 -3.842 1.00 0.00 C ATOM 249 CG PHE A 35 1.957 6.187 -2.477 1.00 0.00 C ATOM 250 CD1 PHE A 35 1.472 7.467 -2.298 1.00 0.00 C ATOM 251 CD2 PHE A 35 2.367 5.464 -1.375 1.00 0.00 C ATOM 252 CE1 PHE A 35 1.400 8.020 -1.046 1.00 0.00 C ATOM 253 CE2 PHE A 35 2.299 6.011 -0.114 1.00 0.00 C ATOM 254 CZ PHE A 35 1.813 7.291 0.055 1.00 0.00 C ATOM 255 HA PHE A 35 3.092 7.251 -4.727 1.00 0.00 H ATOM 256 HB2 PHE A 35 1.103 5.798 -4.364 1.00 0.00 H ATOM 257 HB3 PHE A 35 2.176 4.520 -3.748 1.00 0.00 H ATOM 258 HD2 PHE A 35 2.748 4.451 -1.505 1.00 0.00 H ATOM 259 HE2 PHE A 35 2.629 5.434 0.750 1.00 0.00 H ATOM 260 HZ PHE A 35 1.755 7.727 1.053 1.00 0.00 H ATOM 261 HE1 PHE A 35 1.018 9.033 -0.918 1.00 0.00 H ATOM 262 HD1 PHE A 35 1.143 8.044 -3.162 1.00 0.00 H ATOM 263 H PHE A 35 2.367 4.960 -6.251 1.00 0.00 H ATOM 264 N LEU A 36 4.844 4.558 -3.959 1.00 0.00 N ATOM 265 CA LEU A 36 6.020 4.050 -3.264 1.00 0.00 C ATOM 266 C LEU A 36 7.299 4.684 -3.793 1.00 0.00 C ATOM 267 O LEU A 36 8.078 5.262 -3.032 1.00 0.00 O ATOM 268 CB LEU A 36 6.106 2.529 -3.419 1.00 0.00 C ATOM 269 CG LEU A 36 4.820 1.767 -3.091 1.00 0.00 C ATOM 270 CD1 LEU A 36 4.966 0.297 -3.440 1.00 0.00 C ATOM 271 CD2 LEU A 36 4.441 1.931 -1.627 1.00 0.00 C ATOM 272 HA LEU A 36 5.918 4.310 -2.210 1.00 0.00 H ATOM 273 HB2 LEU A 36 6.374 2.310 -4.453 1.00 0.00 H ATOM 274 HB3 LEU A 36 6.892 2.166 -2.756 1.00 0.00 H ATOM 275 HG LEU A 36 4.018 2.190 -3.696 1.00 0.00 H ATOM 276 HD21 LEU A 36 5.244 1.545 -1.000 1.00 0.00 H ATOM 277 HD22 LEU A 36 4.285 2.988 -1.410 1.00 0.00 H ATOM 278 HD23 LEU A 36 3.523 1.378 -1.426 1.00 0.00 H ATOM 279 HD11 LEU A 36 5.175 0.197 -4.505 1.00 0.00 H ATOM 280 HD12 LEU A 36 5.787 -0.132 -2.866 1.00 0.00 H ATOM 281 HD13 LEU A 36 4.041 -0.226 -3.199 1.00 0.00 H ATOM 282 H LEU A 36 4.226 3.880 -4.448 1.00 0.00 H ATOM 283 N GLN A 37 7.501 4.591 -5.099 1.00 0.00 N ATOM 284 CA GLN A 37 8.750 5.028 -5.707 1.00 0.00 C ATOM 285 C GLN A 37 8.663 6.471 -6.198 1.00 0.00 C ATOM 286 O GLN A 37 9.448 6.896 -7.045 1.00 0.00 O ATOM 287 CB GLN A 37 9.132 4.097 -6.858 1.00 0.00 C ATOM 288 CG GLN A 37 9.329 2.653 -6.421 1.00 0.00 C ATOM 289 CD GLN A 37 9.683 1.736 -7.573 1.00 0.00 C ATOM 290 OE1 GLN A 37 8.804 1.184 -8.231 1.00 0.00 O ATOM 291 NE2 GLN A 37 10.972 1.552 -7.814 1.00 0.00 N ATOM 292 HA GLN A 37 9.525 4.986 -4.941 1.00 0.00 H ATOM 293 HB2 GLN A 37 8.340 4.128 -7.606 1.00 0.00 H ATOM 294 HB3 GLN A 37 10.062 4.455 -7.300 1.00 0.00 H ATOM 295 HG2 GLN A 37 10.134 2.617 -5.687 1.00 0.00 H ATOM 296 HG3 GLN A 37 8.406 2.298 -5.964 1.00 0.00 H ATOM 297 HE22 GLN A 37 11.684 2.039 -7.233 1.00 0.00 H ATOM 298 HE21 GLN A 37 11.272 0.921 -8.584 1.00 0.00 H ATOM 299 H GLN A 37 6.751 4.197 -5.703 1.00 0.00 H ATOM 300 N ASN A 38 7.709 7.225 -5.665 1.00 0.00 N ATOM 301 CA ASN A 38 7.611 8.645 -5.980 1.00 0.00 C ATOM 302 C ASN A 38 8.815 9.379 -5.410 1.00 0.00 C ATOM 303 O ASN A 38 9.532 10.072 -6.133 1.00 0.00 O ATOM 304 CB ASN A 38 6.324 9.255 -5.417 1.00 0.00 C ATOM 305 CG ASN A 38 6.119 10.698 -5.854 1.00 0.00 C ATOM 306 OD1 ASN A 38 5.489 10.966 -6.877 1.00 0.00 O ATOM 307 ND2 ASN A 38 6.648 11.642 -5.084 1.00 0.00 N ATOM 308 HA ASN A 38 7.590 8.750 -7.065 1.00 0.00 H ATOM 309 HB2 ASN A 38 5.477 8.662 -5.762 1.00 0.00 H ATOM 310 HB3 ASN A 38 6.370 9.223 -4.328 1.00 0.00 H ATOM 311 HD22 ASN A 38 7.174 11.379 -4.226 1.00 0.00 H ATOM 312 HD21 ASN A 38 6.536 12.644 -5.339 1.00 0.00 H ATOM 313 H ASN A 38 7.021 6.796 -5.013 1.00 0.00 H ATOM 314 N SER A 39 9.045 9.203 -4.111 1.00 0.00 N ATOM 315 CA SER A 39 10.168 9.849 -3.448 1.00 0.00 C ATOM 316 C SER A 39 10.346 9.363 -2.009 1.00 0.00 C ATOM 317 O SER A 39 11.287 8.635 -1.700 1.00 0.00 O ATOM 318 CB SER A 39 9.965 11.368 -3.464 1.00 0.00 C ATOM 319 OG SER A 39 8.659 11.708 -3.012 1.00 0.00 O ATOM 320 HA SER A 39 11.074 9.585 -3.994 1.00 0.00 H ATOM 321 HB2 SER A 39 10.099 11.736 -4.481 1.00 0.00 H ATOM 322 HB3 SER A 39 10.702 11.834 -2.811 1.00 0.00 H ATOM 323 HG SER A 39 8.550 12.692 -3.031 1.00 0.00 H ATOM 324 H SER A 39 8.410 8.592 -3.559 1.00 0.00 H ATOM 325 N ARG A 40 9.410 9.729 -1.147 1.00 0.00 N ATOM 326 CA ARG A 40 9.590 9.562 0.290 1.00 0.00 C ATOM 327 C ARG A 40 9.064 8.219 0.793 1.00 0.00 C ATOM 328 O ARG A 40 9.481 7.744 1.843 1.00 0.00 O ATOM 329 CB ARG A 40 8.882 10.703 1.021 1.00 0.00 C ATOM 330 CG ARG A 40 9.234 10.810 2.498 1.00 0.00 C ATOM 331 CD ARG A 40 8.491 11.962 3.153 1.00 0.00 C ATOM 332 NE ARG A 40 8.684 13.214 2.422 1.00 0.00 N ATOM 333 CZ ARG A 40 7.724 14.114 2.222 1.00 0.00 C ATOM 334 NH1 ARG A 40 6.504 13.910 2.699 1.00 0.00 N ATOM 335 NH2 ARG A 40 7.974 15.214 1.531 1.00 0.00 N ATOM 336 HA ARG A 40 10.660 9.583 0.495 1.00 0.00 H ATOM 337 HB2 ARG A 40 9.153 11.641 0.536 1.00 0.00 H ATOM 338 HB3 ARG A 40 7.806 10.549 0.936 1.00 0.00 H ATOM 339 HG2 ARG A 40 8.962 9.880 2.998 1.00 0.00 H ATOM 340 HG3 ARG A 40 10.307 10.975 2.598 1.00 0.00 H ATOM 341 HD2 ARG A 40 8.859 12.087 4.171 1.00 0.00 H ATOM 342 HD3 ARG A 40 7.427 11.728 3.179 1.00 0.00 H ATOM 343 HE ARG A 40 9.629 13.413 2.035 1.00 0.00 H ATOM 344 HH12 ARG A 40 5.758 14.617 2.539 1.00 0.00 H ATOM 345 HH11 ARG A 40 6.293 13.043 3.233 1.00 0.00 H ATOM 346 HH22 ARG A 40 7.220 15.914 1.377 1.00 0.00 H ATOM 347 HH21 ARG A 40 8.924 15.379 1.141 1.00 0.00 H ATOM 348 H ARG A 40 8.526 10.145 -1.503 1.00 0.00 H ATOM 349 N VAL A 41 8.165 7.602 0.042 1.00 0.00 N ATOM 350 CA VAL A 41 7.499 6.390 0.510 1.00 0.00 C ATOM 351 C VAL A 41 8.471 5.219 0.623 1.00 0.00 C ATOM 352 O VAL A 41 8.329 4.372 1.504 1.00 0.00 O ATOM 353 CB VAL A 41 6.328 6.001 -0.400 1.00 0.00 C ATOM 354 CG1 VAL A 41 5.573 4.807 0.170 1.00 0.00 C ATOM 355 CG2 VAL A 41 5.398 7.183 -0.578 1.00 0.00 C ATOM 356 HA VAL A 41 7.110 6.616 1.503 1.00 0.00 H ATOM 357 HB VAL A 41 6.724 5.714 -1.374 1.00 0.00 H ATOM 358 HG11 VAL A 41 6.250 3.957 0.255 1.00 0.00 H ATOM 359 HG12 VAL A 41 5.183 5.062 1.155 1.00 0.00 H ATOM 360 HG13 VAL A 41 4.747 4.550 -0.494 1.00 0.00 H ATOM 361 HG21 VAL A 41 5.012 7.490 0.394 1.00 0.00 H ATOM 362 HG22 VAL A 41 5.946 8.010 -1.030 1.00 0.00 H ATOM 363 HG23 VAL A 41 4.569 6.897 -1.226 1.00 0.00 H ATOM 364 H VAL A 41 7.930 7.986 -0.895 1.00 0.00 H ATOM 365 N ARG A 42 9.460 5.174 -0.258 1.00 0.00 N ATOM 366 CA ARG A 42 10.502 4.152 -0.181 1.00 0.00 C ATOM 367 C ARG A 42 11.293 4.296 1.119 1.00 0.00 C ATOM 368 O ARG A 42 11.819 3.317 1.655 1.00 0.00 O ATOM 369 CB ARG A 42 11.459 4.267 -1.371 1.00 0.00 C ATOM 370 CG ARG A 42 10.841 3.893 -2.707 1.00 0.00 C ATOM 371 CD ARG A 42 10.601 2.398 -2.817 1.00 0.00 C ATOM 372 NE ARG A 42 11.849 1.634 -2.805 1.00 0.00 N ATOM 373 CZ ARG A 42 12.001 0.444 -3.380 1.00 0.00 C ATOM 374 NH1 ARG A 42 10.993 -0.110 -4.047 1.00 0.00 N ATOM 375 NH2 ARG A 42 13.164 -0.191 -3.303 1.00 0.00 N ATOM 376 HA ARG A 42 10.019 3.175 -0.204 1.00 0.00 H ATOM 377 HB2 ARG A 42 11.807 5.298 -1.432 1.00 0.00 H ATOM 378 HB3 ARG A 42 12.309 3.609 -1.191 1.00 0.00 H ATOM 379 HG2 ARG A 42 9.889 4.413 -2.814 1.00 0.00 H ATOM 380 HG3 ARG A 42 11.514 4.203 -3.507 1.00 0.00 H ATOM 381 HD2 ARG A 42 10.074 2.195 -3.749 1.00 0.00 H ATOM 382 HD3 ARG A 42 9.986 2.078 -1.976 1.00 0.00 H ATOM 383 HE ARG A 42 12.669 2.047 -2.316 1.00 0.00 H ATOM 384 HH12 ARG A 42 11.115 -1.040 -4.495 1.00 0.00 H ATOM 385 HH11 ARG A 42 10.082 0.387 -4.120 1.00 0.00 H ATOM 386 HH22 ARG A 42 13.279 -1.121 -3.754 1.00 0.00 H ATOM 387 HH21 ARG A 42 13.960 0.242 -2.792 1.00 0.00 H ATOM 388 H ARG A 42 9.495 5.881 -1.020 1.00 0.00 H ATOM 389 N GLN A 43 11.358 5.524 1.620 1.00 0.00 N ATOM 390 CA GLN A 43 12.093 5.829 2.842 1.00 0.00 C ATOM 391 C GLN A 43 11.141 5.820 4.041 1.00 0.00 C ATOM 392 O GLN A 43 11.563 5.931 5.193 1.00 0.00 O ATOM 393 CB GLN A 43 12.776 7.197 2.695 1.00 0.00 C ATOM 394 CG GLN A 43 13.817 7.505 3.764 1.00 0.00 C ATOM 395 CD GLN A 43 14.525 8.826 3.521 1.00 0.00 C ATOM 396 OE1 GLN A 43 14.672 9.268 2.378 1.00 0.00 O ATOM 397 NE2 GLN A 43 14.977 9.464 4.589 1.00 0.00 N ATOM 398 HA GLN A 43 12.858 5.071 3.011 1.00 0.00 H ATOM 399 HB2 GLN A 43 13.267 7.229 1.723 1.00 0.00 H ATOM 400 HB3 GLN A 43 12.006 7.968 2.738 1.00 0.00 H ATOM 401 HG2 GLN A 43 13.321 7.547 4.734 1.00 0.00 H ATOM 402 HG3 GLN A 43 14.559 6.706 3.771 1.00 0.00 H ATOM 403 HE22 GLN A 43 14.833 9.059 5.536 1.00 0.00 H ATOM 404 HE21 GLN A 43 15.476 10.370 4.481 1.00 0.00 H ATOM 405 H GLN A 43 10.868 6.295 1.124 1.00 0.00 H ATOM 406 N SER A 44 9.854 5.678 3.755 1.00 0.00 N ATOM 407 CA SER A 44 8.829 5.629 4.786 1.00 0.00 C ATOM 408 C SER A 44 8.773 4.231 5.402 1.00 0.00 C ATOM 409 O SER A 44 8.837 3.227 4.690 1.00 0.00 O ATOM 410 CB SER A 44 7.467 5.997 4.181 1.00 0.00 C ATOM 411 OG SER A 44 6.441 5.994 5.161 1.00 0.00 O ATOM 412 HA SER A 44 9.074 6.346 5.569 1.00 0.00 H ATOM 413 HB2 SER A 44 7.217 5.273 3.405 1.00 0.00 H ATOM 414 HB3 SER A 44 7.533 6.992 3.741 1.00 0.00 H ATOM 415 HG SER A 44 5.580 6.235 4.736 1.00 0.00 H ATOM 416 H SER A 44 9.567 5.599 2.758 1.00 0.00 H ATOM 417 N PRO A 45 8.662 4.154 6.736 1.00 0.00 N ATOM 418 CA PRO A 45 8.569 2.878 7.458 1.00 0.00 C ATOM 419 C PRO A 45 7.381 2.042 6.989 1.00 0.00 C ATOM 420 O PRO A 45 6.307 2.573 6.683 1.00 0.00 O ATOM 421 CB PRO A 45 8.379 3.302 8.918 1.00 0.00 C ATOM 422 CG PRO A 45 8.919 4.689 8.987 1.00 0.00 C ATOM 423 CD PRO A 45 8.628 5.307 7.651 1.00 0.00 C ATOM 424 HA PRO A 45 9.447 2.253 7.297 1.00 0.00 H ATOM 425 HD3 PRO A 45 7.648 5.783 7.645 1.00 0.00 H ATOM 426 HD2 PRO A 45 9.389 6.041 7.385 1.00 0.00 H ATOM 427 HG3 PRO A 45 9.993 4.670 9.171 1.00 0.00 H ATOM 428 HG2 PRO A 45 8.426 5.250 9.781 1.00 0.00 H ATOM 429 HB2 PRO A 45 7.323 3.287 9.188 1.00 0.00 H ATOM 430 HB3 PRO A 45 8.932 2.641 9.585 1.00 0.00 H ATOM 431 N LEU A 46 7.582 0.731 6.945 1.00 0.00 N ATOM 432 CA LEU A 46 6.569 -0.192 6.458 1.00 0.00 C ATOM 433 C LEU A 46 5.388 -0.261 7.407 1.00 0.00 C ATOM 434 O LEU A 46 4.313 -0.707 7.021 1.00 0.00 O ATOM 435 CB LEU A 46 7.155 -1.583 6.227 1.00 0.00 C ATOM 436 CG LEU A 46 8.090 -1.684 5.027 1.00 0.00 C ATOM 437 CD1 LEU A 46 9.463 -2.171 5.454 1.00 0.00 C ATOM 438 CD2 LEU A 46 7.489 -2.603 3.975 1.00 0.00 C ATOM 439 HA LEU A 46 6.212 0.189 5.501 1.00 0.00 H ATOM 440 HB2 LEU A 46 7.713 -1.870 7.118 1.00 0.00 H ATOM 441 HB3 LEU A 46 6.330 -2.279 6.076 1.00 0.00 H ATOM 442 HG LEU A 46 8.210 -0.692 4.592 1.00 0.00 H ATOM 443 HD21 LEU A 46 7.344 -3.595 4.402 1.00 0.00 H ATOM 444 HD22 LEU A 46 6.529 -2.202 3.650 1.00 0.00 H ATOM 445 HD23 LEU A 46 8.165 -2.668 3.122 1.00 0.00 H ATOM 446 HD11 LEU A 46 9.888 -1.471 6.174 1.00 0.00 H ATOM 447 HD12 LEU A 46 9.371 -3.155 5.913 1.00 0.00 H ATOM 448 HD13 LEU A 46 10.112 -2.235 4.581 1.00 0.00 H ATOM 449 H LEU A 46 8.494 0.351 7.270 1.00 0.00 H ATOM 450 N ALA A 47 5.596 0.157 8.649 1.00 0.00 N ATOM 451 CA ALA A 47 4.498 0.291 9.598 1.00 0.00 C ATOM 452 C ALA A 47 3.387 1.158 9.006 1.00 0.00 C ATOM 453 O ALA A 47 2.205 0.845 9.142 1.00 0.00 O ATOM 454 CB ALA A 47 4.995 0.875 10.911 1.00 0.00 C ATOM 455 HA ALA A 47 4.091 -0.700 9.800 1.00 0.00 H ATOM 456 HB1 ALA A 47 5.752 0.217 11.336 1.00 0.00 H ATOM 457 HB2 ALA A 47 5.428 1.859 10.729 1.00 0.00 H ATOM 458 HB3 ALA A 47 4.160 0.967 11.606 1.00 0.00 H ATOM 459 H ALA A 47 6.562 0.394 8.952 1.00 0.00 H ATOM 460 N THR A 48 3.776 2.246 8.347 1.00 0.00 N ATOM 461 CA THR A 48 2.830 3.061 7.604 1.00 0.00 C ATOM 462 C THR A 48 2.364 2.328 6.349 1.00 0.00 C ATOM 463 O THR A 48 1.170 2.151 6.135 1.00 0.00 O ATOM 464 CB THR A 48 3.441 4.415 7.185 1.00 0.00 C ATOM 465 OG1 THR A 48 3.790 5.181 8.347 1.00 0.00 O ATOM 466 CG2 THR A 48 2.467 5.209 6.305 1.00 0.00 C ATOM 467 HA THR A 48 1.985 3.248 8.267 1.00 0.00 H ATOM 468 HB THR A 48 4.342 4.216 6.604 1.00 0.00 H ATOM 469 HG1 THR A 48 4.180 6.046 8.066 1.00 0.00 H ATOM 470 HG23 THR A 48 2.209 4.618 5.426 1.00 0.00 H ATOM 471 HG21 THR A 48 1.564 5.430 6.873 1.00 0.00 H ATOM 472 HG22 THR A 48 2.939 6.141 5.992 1.00 0.00 H ATOM 473 H THR A 48 4.779 2.519 8.364 1.00 0.00 H ATOM 474 N ARG A 49 3.326 1.875 5.547 1.00 0.00 N ATOM 475 CA ARG A 49 3.042 1.348 4.213 1.00 0.00 C ATOM 476 C ARG A 49 2.108 0.136 4.245 1.00 0.00 C ATOM 477 O ARG A 49 1.293 -0.044 3.343 1.00 0.00 O ATOM 478 CB ARG A 49 4.344 0.987 3.487 1.00 0.00 C ATOM 479 CG ARG A 49 5.355 2.126 3.440 1.00 0.00 C ATOM 480 CD ARG A 49 6.372 1.947 2.317 1.00 0.00 C ATOM 481 NE ARG A 49 7.195 0.744 2.462 1.00 0.00 N ATOM 482 CZ ARG A 49 8.524 0.734 2.299 1.00 0.00 C ATOM 483 NH1 ARG A 49 9.188 1.867 2.127 1.00 0.00 N ATOM 484 NH2 ARG A 49 9.198 -0.407 2.328 1.00 0.00 N ATOM 485 HA ARG A 49 2.528 2.139 3.667 1.00 0.00 H ATOM 486 HB2 ARG A 49 4.802 0.141 4.000 1.00 0.00 H ATOM 487 HB3 ARG A 49 4.100 0.701 2.464 1.00 0.00 H ATOM 488 HG2 ARG A 49 4.821 3.064 3.285 1.00 0.00 H ATOM 489 HG3 ARG A 49 5.885 2.165 4.392 1.00 0.00 H ATOM 490 HD2 ARG A 49 7.030 2.816 2.305 1.00 0.00 H ATOM 491 HD3 ARG A 49 5.835 1.886 1.371 1.00 0.00 H ATOM 492 HE ARG A 49 6.722 -0.150 2.704 1.00 0.00 H ATOM 493 HH12 ARG A 49 10.220 1.851 2.001 1.00 0.00 H ATOM 494 HH11 ARG A 49 8.677 2.773 2.118 1.00 0.00 H ATOM 495 HH22 ARG A 49 10.230 -0.405 2.200 1.00 0.00 H ATOM 496 HH21 ARG A 49 8.695 -1.305 2.478 1.00 0.00 H ATOM 497 H ARG A 49 4.311 1.897 5.880 1.00 0.00 H ATOM 498 N ARG A 50 2.221 -0.688 5.280 1.00 0.00 N ATOM 499 CA ARG A 50 1.390 -1.880 5.392 1.00 0.00 C ATOM 500 C ARG A 50 -0.064 -1.519 5.617 1.00 0.00 C ATOM 501 O ARG A 50 -0.928 -1.911 4.837 1.00 0.00 O ATOM 502 CB ARG A 50 1.887 -2.803 6.500 1.00 0.00 C ATOM 503 CG ARG A 50 2.695 -3.963 5.959 1.00 0.00 C ATOM 504 CD ARG A 50 4.111 -3.973 6.496 1.00 0.00 C ATOM 505 NE ARG A 50 4.174 -4.459 7.869 1.00 0.00 N ATOM 506 CZ ARG A 50 5.278 -4.951 8.425 1.00 0.00 C ATOM 507 NH1 ARG A 50 6.384 -5.045 7.702 1.00 0.00 N ATOM 508 NH2 ARG A 50 5.268 -5.378 9.685 1.00 0.00 N ATOM 509 HA ARG A 50 1.466 -2.415 4.445 1.00 0.00 H ATOM 510 HB2 ARG A 50 2.512 -2.227 7.183 1.00 0.00 H ATOM 511 HB3 ARG A 50 1.027 -3.196 7.042 1.00 0.00 H ATOM 512 HG2 ARG A 50 2.205 -4.895 6.242 1.00 0.00 H ATOM 513 HG3 ARG A 50 2.732 -3.889 4.872 1.00 0.00 H ATOM 514 HD2 ARG A 50 4.506 -2.958 6.464 1.00 0.00 H ATOM 515 HD3 ARG A 50 4.722 -4.620 5.866 1.00 0.00 H ATOM 516 HE ARG A 50 3.309 -4.419 8.445 1.00 0.00 H ATOM 517 HH12 ARG A 50 7.252 -5.428 8.127 1.00 0.00 H ATOM 518 HH11 ARG A 50 6.384 -4.736 6.709 1.00 0.00 H ATOM 519 HH22 ARG A 50 6.136 -5.761 10.111 1.00 0.00 H ATOM 520 HH21 ARG A 50 4.392 -5.329 10.244 1.00 0.00 H ATOM 521 H ARG A 50 2.916 -0.479 6.025 1.00 0.00 H ATOM 522 N ALA A 51 -0.326 -0.760 6.668 1.00 0.00 N ATOM 523 CA ALA A 51 -1.677 -0.315 6.955 1.00 0.00 C ATOM 524 C ALA A 51 -2.206 0.504 5.788 1.00 0.00 C ATOM 525 O ALA A 51 -3.330 0.313 5.347 1.00 0.00 O ATOM 526 CB ALA A 51 -1.711 0.498 8.243 1.00 0.00 C ATOM 527 HA ALA A 51 -2.316 -1.187 7.091 1.00 0.00 H ATOM 528 HB1 ALA A 51 -1.358 -0.119 9.070 1.00 0.00 H ATOM 529 HB2 ALA A 51 -1.066 1.370 8.138 1.00 0.00 H ATOM 530 HB3 ALA A 51 -2.733 0.822 8.440 1.00 0.00 H ATOM 531 H ALA A 51 0.450 -0.477 7.300 1.00 0.00 H ATOM 532 N PHE A 52 -1.354 1.378 5.272 1.00 0.00 N ATOM 533 CA PHE A 52 -1.699 2.268 4.175 1.00 0.00 C ATOM 534 C PHE A 52 -2.325 1.523 2.994 1.00 0.00 C ATOM 535 O PHE A 52 -3.509 1.700 2.714 1.00 0.00 O ATOM 536 CB PHE A 52 -0.458 3.030 3.725 1.00 0.00 C ATOM 537 CG PHE A 52 -0.704 3.937 2.568 1.00 0.00 C ATOM 538 CD1 PHE A 52 -0.176 3.641 1.330 1.00 0.00 C ATOM 539 CD2 PHE A 52 -1.461 5.084 2.718 1.00 0.00 C ATOM 540 CE1 PHE A 52 -0.392 4.471 0.259 1.00 0.00 C ATOM 541 CE2 PHE A 52 -1.685 5.919 1.649 1.00 0.00 C ATOM 542 CZ PHE A 52 -1.145 5.611 0.415 1.00 0.00 C ATOM 543 HA PHE A 52 -2.450 2.968 4.541 1.00 0.00 H ATOM 544 HB2 PHE A 52 -0.098 3.628 4.562 1.00 0.00 H ATOM 545 HB3 PHE A 52 0.307 2.307 3.441 1.00 0.00 H ATOM 546 HD2 PHE A 52 -1.884 5.329 3.692 1.00 0.00 H ATOM 547 HE2 PHE A 52 -2.286 6.820 1.774 1.00 0.00 H ATOM 548 HZ PHE A 52 -1.316 6.272 -0.435 1.00 0.00 H ATOM 549 HE1 PHE A 52 0.033 4.227 -0.715 1.00 0.00 H ATOM 550 HD1 PHE A 52 0.420 2.738 1.200 1.00 0.00 H ATOM 551 H PHE A 52 -0.395 1.430 5.670 1.00 0.00 H ATOM 552 N LEU A 53 -1.549 0.676 2.319 1.00 0.00 N ATOM 553 CA LEU A 53 -2.039 -0.005 1.119 1.00 0.00 C ATOM 554 C LEU A 53 -3.256 -0.870 1.431 1.00 0.00 C ATOM 555 O LEU A 53 -4.218 -0.905 0.661 1.00 0.00 O ATOM 556 CB LEU A 53 -0.947 -0.864 0.470 1.00 0.00 C ATOM 557 CG LEU A 53 0.031 -0.123 -0.457 1.00 0.00 C ATOM 558 CD1 LEU A 53 1.027 0.705 0.336 1.00 0.00 C ATOM 559 CD2 LEU A 53 0.761 -1.110 -1.353 1.00 0.00 C ATOM 560 HA LEU A 53 -2.331 0.773 0.413 1.00 0.00 H ATOM 561 HB2 LEU A 53 -0.366 -1.325 1.269 1.00 0.00 H ATOM 562 HB3 LEU A 53 -1.438 -1.642 -0.115 1.00 0.00 H ATOM 563 HG LEU A 53 -0.550 0.558 -1.079 1.00 0.00 H ATOM 564 HD21 LEU A 53 1.319 -1.814 -0.736 1.00 0.00 H ATOM 565 HD22 LEU A 53 0.036 -1.652 -1.960 1.00 0.00 H ATOM 566 HD23 LEU A 53 1.449 -0.569 -2.003 1.00 0.00 H ATOM 567 HD11 LEU A 53 0.491 1.442 0.934 1.00 0.00 H ATOM 568 HD12 LEU A 53 1.600 0.051 0.993 1.00 0.00 H ATOM 569 HD13 LEU A 53 1.702 1.215 -0.351 1.00 0.00 H ATOM 570 H LEU A 53 -0.580 0.496 2.650 1.00 0.00 H ATOM 571 N LYS A 54 -3.222 -1.543 2.573 1.00 0.00 N ATOM 572 CA LYS A 54 -4.313 -2.418 2.980 1.00 0.00 C ATOM 573 C LYS A 54 -5.608 -1.629 3.188 1.00 0.00 C ATOM 574 O LYS A 54 -6.695 -2.099 2.850 1.00 0.00 O ATOM 575 CB LYS A 54 -3.924 -3.179 4.253 1.00 0.00 C ATOM 576 CG LYS A 54 -2.858 -4.235 4.019 1.00 0.00 C ATOM 577 CD LYS A 54 -2.306 -4.790 5.327 1.00 0.00 C ATOM 578 CE LYS A 54 -1.140 -5.757 5.103 1.00 0.00 C ATOM 579 NZ LYS A 54 -1.592 -7.075 4.574 1.00 0.00 N ATOM 580 HA LYS A 54 -4.495 -3.138 2.182 1.00 0.00 H ATOM 581 HB2 LYS A 54 -3.548 -2.463 4.983 1.00 0.00 H ATOM 582 HB3 LYS A 54 -4.814 -3.667 4.650 1.00 0.00 H ATOM 583 HG2 LYS A 54 -3.293 -5.053 3.445 1.00 0.00 H ATOM 584 HG3 LYS A 54 -2.040 -3.790 3.452 1.00 0.00 H ATOM 585 HD2 LYS A 54 -1.960 -3.959 5.942 1.00 0.00 H ATOM 586 HD3 LYS A 54 -3.104 -5.318 5.848 1.00 0.00 H ATOM 587 HE2 LYS A 54 -0.629 -5.917 6.053 1.00 0.00 H ATOM 588 HE3 LYS A 54 -0.447 -5.312 4.389 1.00 0.00 H ATOM 589 HZ1 LYS A 54 -2.248 -7.513 5.252 1.00 0.00 H ATOM 590 HZ2 LYS A 54 -2.074 -6.935 3.663 1.00 0.00 H ATOM 591 HZ3 LYS A 54 -0.767 -7.694 4.439 1.00 0.00 H ATOM 592 H LYS A 54 -2.394 -1.443 3.195 1.00 0.00 H ATOM 593 N LYS A 55 -5.484 -0.427 3.734 1.00 0.00 N ATOM 594 CA LYS A 55 -6.637 0.437 3.970 1.00 0.00 C ATOM 595 C LYS A 55 -7.087 1.130 2.688 1.00 0.00 C ATOM 596 O LYS A 55 -8.260 1.472 2.535 1.00 0.00 O ATOM 597 CB LYS A 55 -6.300 1.475 5.038 1.00 0.00 C ATOM 598 CG LYS A 55 -5.980 0.850 6.386 1.00 0.00 C ATOM 599 CD LYS A 55 -5.472 1.885 7.377 1.00 0.00 C ATOM 600 CE LYS A 55 -6.554 2.889 7.747 1.00 0.00 C ATOM 601 NZ LYS A 55 -7.696 2.245 8.453 1.00 0.00 N ATOM 602 HA LYS A 55 -7.460 -0.187 4.318 1.00 0.00 H ATOM 603 HB2 LYS A 55 -5.435 2.049 4.706 1.00 0.00 H ATOM 604 HB3 LYS A 55 -7.153 2.143 5.157 1.00 0.00 H ATOM 605 HG2 LYS A 55 -6.884 0.390 6.786 1.00 0.00 H ATOM 606 HG3 LYS A 55 -5.215 0.086 6.249 1.00 0.00 H ATOM 607 HD2 LYS A 55 -5.139 1.375 8.281 1.00 0.00 H ATOM 608 HD3 LYS A 55 -4.632 2.418 6.932 1.00 0.00 H ATOM 609 HE2 LYS A 55 -6.924 3.360 6.836 1.00 0.00 H ATOM 610 HE3 LYS A 55 -6.121 3.649 8.398 1.00 0.00 H ATOM 611 HZ1 LYS A 55 -8.120 1.523 7.837 1.00 0.00 H ATOM 612 HZ2 LYS A 55 -7.354 1.799 9.328 1.00 0.00 H ATOM 613 HZ3 LYS A 55 -8.409 2.966 8.686 1.00 0.00 H ATOM 614 H LYS A 55 -4.537 -0.090 4.002 1.00 0.00 H ATOM 615 N LYS A 56 -6.150 1.337 1.771 1.00 0.00 N ATOM 616 CA LYS A 56 -6.451 2.002 0.511 1.00 0.00 C ATOM 617 C LYS A 56 -7.316 1.124 -0.382 1.00 0.00 C ATOM 618 O LYS A 56 -8.053 1.626 -1.230 1.00 0.00 O ATOM 619 CB LYS A 56 -5.166 2.386 -0.223 1.00 0.00 C ATOM 620 CG LYS A 56 -4.350 3.482 0.458 1.00 0.00 C ATOM 621 CD LYS A 56 -4.997 4.857 0.340 1.00 0.00 C ATOM 622 CE LYS A 56 -6.188 5.027 1.275 1.00 0.00 C ATOM 623 NZ LYS A 56 -6.854 6.343 1.094 1.00 0.00 N ATOM 624 HA LYS A 56 -7.007 2.910 0.745 1.00 0.00 H ATOM 625 HB2 LYS A 56 -4.541 1.497 -0.304 1.00 0.00 H ATOM 626 HB3 LYS A 56 -5.434 2.732 -1.221 1.00 0.00 H ATOM 627 HG2 LYS A 56 -4.247 3.235 1.514 1.00 0.00 H ATOM 628 HG3 LYS A 56 -3.363 3.520 -0.003 1.00 0.00 H ATOM 629 HD2 LYS A 56 -4.252 5.615 0.582 1.00 0.00 H ATOM 630 HD3 LYS A 56 -5.336 4.997 -0.686 1.00 0.00 H ATOM 631 HE2 LYS A 56 -5.841 4.946 2.305 1.00 0.00 H ATOM 632 HE3 LYS A 56 -6.910 4.236 1.073 1.00 0.00 H ATOM 633 HZ1 LYS A 56 -6.174 7.104 1.292 1.00 0.00 H ATOM 634 HZ2 LYS A 56 -7.194 6.426 0.115 1.00 0.00 H ATOM 635 HZ3 LYS A 56 -7.658 6.416 1.749 1.00 0.00 H ATOM 636 H LYS A 56 -5.178 1.017 1.957 1.00 0.00 H ATOM 637 N GLY A 57 -7.236 -0.184 -0.186 1.00 0.00 N ATOM 638 CA GLY A 57 -8.062 -1.087 -0.959 1.00 0.00 C ATOM 639 C GLY A 57 -7.303 -2.290 -1.472 1.00 0.00 C ATOM 640 O GLY A 57 -7.862 -3.122 -2.185 1.00 0.00 O ATOM 641 HA3 GLY A 57 -8.468 -0.543 -1.812 1.00 0.00 H ATOM 642 HA2 GLY A 57 -8.880 -1.435 -0.329 1.00 0.00 H ATOM 643 H GLY A 57 -6.578 -0.563 0.525 1.00 0.00 H ATOM 644 N LEU A 58 -6.035 -2.390 -1.117 1.00 0.00 N ATOM 645 CA LEU A 58 -5.230 -3.520 -1.540 1.00 0.00 C ATOM 646 C LEU A 58 -5.271 -4.619 -0.498 1.00 0.00 C ATOM 647 O LEU A 58 -5.007 -4.382 0.680 1.00 0.00 O ATOM 648 CB LEU A 58 -3.779 -3.105 -1.786 1.00 0.00 C ATOM 649 CG LEU A 58 -3.558 -2.210 -3.002 1.00 0.00 C ATOM 650 CD1 LEU A 58 -3.745 -0.742 -2.645 1.00 0.00 C ATOM 651 CD2 LEU A 58 -2.179 -2.460 -3.588 1.00 0.00 C ATOM 652 HA LEU A 58 -5.649 -3.891 -2.475 1.00 0.00 H ATOM 653 HB2 LEU A 58 -3.427 -2.570 -0.904 1.00 0.00 H ATOM 654 HB3 LEU A 58 -3.187 -4.010 -1.921 1.00 0.00 H ATOM 655 HG LEU A 58 -4.305 -2.459 -3.756 1.00 0.00 H ATOM 656 HD21 LEU A 58 -1.421 -2.239 -2.837 1.00 0.00 H ATOM 657 HD22 LEU A 58 -2.098 -3.504 -3.891 1.00 0.00 H ATOM 658 HD23 LEU A 58 -2.032 -1.816 -4.455 1.00 0.00 H ATOM 659 HD11 LEU A 58 -4.759 -0.585 -2.276 1.00 0.00 H ATOM 660 HD12 LEU A 58 -3.029 -0.463 -1.872 1.00 0.00 H ATOM 661 HD13 LEU A 58 -3.581 -0.130 -3.532 1.00 0.00 H ATOM 662 H LEU A 58 -5.608 -1.648 -0.526 1.00 0.00 H ATOM 663 N THR A 59 -5.619 -5.822 -0.929 1.00 0.00 N ATOM 664 CA THR A 59 -5.588 -6.967 -0.047 1.00 0.00 C ATOM 665 C THR A 59 -4.148 -7.339 0.270 1.00 0.00 C ATOM 666 O THR A 59 -3.212 -6.769 -0.297 1.00 0.00 O ATOM 667 CB THR A 59 -6.314 -8.184 -0.652 1.00 0.00 C ATOM 668 OG1 THR A 59 -6.054 -8.255 -2.057 1.00 0.00 O ATOM 669 CG2 THR A 59 -7.813 -8.115 -0.411 1.00 0.00 C ATOM 670 HA THR A 59 -6.111 -6.688 0.868 1.00 0.00 H ATOM 671 HB THR A 59 -5.934 -9.080 -0.161 1.00 0.00 H ATOM 672 HG1 THR A 59 -6.523 -9.039 -2.439 1.00 0.00 H ATOM 673 HG23 THR A 59 -8.005 -8.061 0.661 1.00 0.00 H ATOM 674 HG21 THR A 59 -8.218 -7.228 -0.899 1.00 0.00 H ATOM 675 HG22 THR A 59 -8.287 -9.006 -0.822 1.00 0.00 H ATOM 676 H THR A 59 -5.919 -5.945 -1.917 1.00 0.00 H ATOM 677 N ASP A 60 -3.974 -8.285 1.167 1.00 0.00 N ATOM 678 CA ASP A 60 -2.646 -8.708 1.592 1.00 0.00 C ATOM 679 C ASP A 60 -1.817 -9.150 0.387 1.00 0.00 C ATOM 680 O ASP A 60 -0.663 -8.748 0.222 1.00 0.00 O ATOM 681 CB ASP A 60 -2.786 -9.836 2.612 1.00 0.00 C ATOM 682 CG ASP A 60 -3.900 -9.545 3.599 1.00 0.00 C ATOM 683 OD1 ASP A 60 -5.029 -10.031 3.374 1.00 0.00 O ATOM 684 OD2 ASP A 60 -3.669 -8.782 4.560 1.00 0.00 O ATOM 685 HA ASP A 60 -2.124 -7.873 2.059 1.00 0.00 H ATOM 686 HB2 ASP A 60 -3.009 -10.765 2.087 1.00 0.00 H ATOM 687 HB3 ASP A 60 -1.847 -9.943 3.156 1.00 0.00 H ATOM 688 H ASP A 60 -4.808 -8.744 1.585 1.00 0.00 H ATOM 689 N GLU A 61 -2.444 -9.936 -0.475 1.00 0.00 N ATOM 690 CA GLU A 61 -1.820 -10.397 -1.709 1.00 0.00 C ATOM 691 C GLU A 61 -1.341 -9.214 -2.560 1.00 0.00 C ATOM 692 O GLU A 61 -0.235 -9.227 -3.094 1.00 0.00 O ATOM 693 CB GLU A 61 -2.832 -11.237 -2.495 1.00 0.00 C ATOM 694 CG GLU A 61 -4.068 -10.448 -2.902 1.00 0.00 C ATOM 695 CD GLU A 61 -5.261 -11.319 -3.216 1.00 0.00 C ATOM 696 OE1 GLU A 61 -6.339 -11.070 -2.635 1.00 0.00 O ATOM 697 OE2 GLU A 61 -5.131 -12.263 -4.021 1.00 0.00 O ATOM 698 HA GLU A 61 -0.948 -11.002 -1.461 1.00 0.00 H ATOM 699 HB2 GLU A 61 -2.347 -11.613 -3.396 1.00 0.00 H ATOM 700 HB3 GLU A 61 -3.144 -12.077 -1.874 1.00 0.00 H ATOM 701 HG2 GLU A 61 -4.335 -9.778 -2.085 1.00 0.00 H ATOM 702 HG3 GLU A 61 -3.827 -9.860 -3.788 1.00 0.00 H ATOM 703 H GLU A 61 -3.417 -10.235 -0.264 1.00 0.00 H ATOM 704 N GLU A 62 -2.175 -8.181 -2.641 1.00 0.00 N ATOM 705 CA GLU A 62 -1.915 -7.034 -3.500 1.00 0.00 C ATOM 706 C GLU A 62 -0.793 -6.170 -2.948 1.00 0.00 C ATOM 707 O GLU A 62 -0.026 -5.576 -3.708 1.00 0.00 O ATOM 708 CB GLU A 62 -3.181 -6.189 -3.660 1.00 0.00 C ATOM 709 CG GLU A 62 -4.316 -6.905 -4.370 1.00 0.00 C ATOM 710 CD GLU A 62 -4.009 -7.192 -5.824 1.00 0.00 C ATOM 711 OE1 GLU A 62 -3.289 -8.175 -6.103 1.00 0.00 O ATOM 712 OE2 GLU A 62 -4.495 -6.443 -6.695 1.00 0.00 O ATOM 713 HA GLU A 62 -1.608 -7.416 -4.474 1.00 0.00 H ATOM 714 HB2 GLU A 62 -3.526 -5.898 -2.668 1.00 0.00 H ATOM 715 HB3 GLU A 62 -2.928 -5.296 -4.232 1.00 0.00 H ATOM 716 HG2 GLU A 62 -4.505 -7.850 -3.860 1.00 0.00 H ATOM 717 HG3 GLU A 62 -5.208 -6.281 -4.319 1.00 0.00 H ATOM 718 H GLU A 62 -3.044 -8.193 -2.070 1.00 0.00 H ATOM 719 N ILE A 63 -0.689 -6.090 -1.628 1.00 0.00 N ATOM 720 CA ILE A 63 0.317 -5.235 -1.031 1.00 0.00 C ATOM 721 C ILE A 63 1.715 -5.798 -1.265 1.00 0.00 C ATOM 722 O ILE A 63 2.656 -5.036 -1.502 1.00 0.00 O ATOM 723 CB ILE A 63 0.076 -4.957 0.471 1.00 0.00 C ATOM 724 CG1 ILE A 63 1.018 -3.850 0.934 1.00 0.00 C ATOM 725 CG2 ILE A 63 0.269 -6.208 1.319 1.00 0.00 C ATOM 726 CD1 ILE A 63 0.775 -3.393 2.349 1.00 0.00 C ATOM 727 HA ILE A 63 0.235 -4.271 -1.533 1.00 0.00 H ATOM 728 HB ILE A 63 -0.959 -4.640 0.599 1.00 0.00 H ATOM 729 HG12 ILE A 63 2.042 -4.218 0.863 1.00 0.00 H ATOM 730 HG13 ILE A 63 0.894 -2.994 0.271 1.00 0.00 H ATOM 731 HD11 ILE A 63 -0.242 -3.010 2.436 1.00 0.00 H ATOM 732 HD12 ILE A 63 0.907 -4.235 3.029 1.00 0.00 H ATOM 733 HD13 ILE A 63 1.485 -2.605 2.602 1.00 0.00 H ATOM 734 HG21 ILE A 63 -0.434 -6.976 0.996 1.00 0.00 H ATOM 735 HG22 ILE A 63 1.289 -6.573 1.198 1.00 0.00 H ATOM 736 HG23 ILE A 63 0.090 -5.966 2.367 1.00 0.00 H ATOM 737 H ILE A 63 -1.330 -6.641 -1.022 1.00 0.00 H ATOM 738 N ASP A 64 1.865 -7.125 -1.240 1.00 0.00 N ATOM 739 CA ASP A 64 3.158 -7.698 -1.590 1.00 0.00 C ATOM 740 C ASP A 64 3.342 -7.639 -3.092 1.00 0.00 C ATOM 741 O ASP A 64 4.456 -7.587 -3.563 1.00 0.00 O ATOM 742 CB ASP A 64 3.365 -9.151 -1.157 1.00 0.00 C ATOM 743 CG ASP A 64 2.556 -9.584 0.046 1.00 0.00 C ATOM 744 OD1 ASP A 64 1.731 -10.514 -0.092 1.00 0.00 O ATOM 745 OD2 ASP A 64 2.767 -9.027 1.141 1.00 0.00 O ATOM 746 HA ASP A 64 3.889 -7.099 -1.047 1.00 0.00 H ATOM 747 HB2 ASP A 64 3.096 -9.795 -1.994 1.00 0.00 H ATOM 748 HB3 ASP A 64 4.420 -9.286 -0.921 1.00 0.00 H ATOM 749 H ASP A 64 1.070 -7.741 -0.974 1.00 0.00 H ATOM 750 N MET A 65 2.246 -7.669 -3.844 1.00 0.00 N ATOM 751 CA MET A 65 2.326 -7.521 -5.296 1.00 0.00 C ATOM 752 C MET A 65 2.962 -6.186 -5.655 1.00 0.00 C ATOM 753 O MET A 65 3.931 -6.133 -6.409 1.00 0.00 O ATOM 754 CB MET A 65 0.942 -7.627 -5.952 1.00 0.00 C ATOM 755 CG MET A 65 0.403 -9.048 -6.091 1.00 0.00 C ATOM 756 SD MET A 65 1.409 -10.092 -7.173 1.00 0.00 S ATOM 757 CE MET A 65 2.668 -10.669 -6.034 1.00 0.00 C ATOM 758 HA MET A 65 2.945 -8.334 -5.676 1.00 0.00 H ATOM 759 HB2 MET A 65 0.237 -7.055 -5.349 1.00 0.00 H ATOM 760 HB3 MET A 65 1.005 -7.190 -6.948 1.00 0.00 H ATOM 761 HG2 MET A 65 -0.606 -8.997 -6.499 1.00 0.00 H ATOM 762 HG3 MET A 65 0.371 -9.504 -5.102 1.00 0.00 H ATOM 763 HE1 MET A 65 3.211 -9.814 -5.631 1.00 0.00 H ATOM 764 HE2 MET A 65 2.195 -11.218 -5.220 1.00 0.00 H ATOM 765 HE3 MET A 65 3.361 -11.324 -6.562 1.00 0.00 H ATOM 766 H MET A 65 1.318 -7.800 -3.393 1.00 0.00 H ATOM 767 N ALA A 66 2.429 -5.113 -5.083 1.00 0.00 N ATOM 768 CA ALA A 66 2.933 -3.774 -5.343 1.00 0.00 C ATOM 769 C ALA A 66 4.379 -3.630 -4.871 1.00 0.00 C ATOM 770 O ALA A 66 5.217 -3.056 -5.569 1.00 0.00 O ATOM 771 CB ALA A 66 2.037 -2.738 -4.673 1.00 0.00 C ATOM 772 HA ALA A 66 2.919 -3.603 -6.419 1.00 0.00 H ATOM 773 HB1 ALA A 66 1.025 -2.824 -5.070 1.00 0.00 H ATOM 774 HB2 ALA A 66 2.023 -2.913 -3.597 1.00 0.00 H ATOM 775 HB3 ALA A 66 2.425 -1.739 -4.875 1.00 0.00 H ATOM 776 H ALA A 66 1.628 -5.234 -4.430 1.00 0.00 H ATOM 777 N PHE A 67 4.674 -4.174 -3.695 1.00 0.00 N ATOM 778 CA PHE A 67 6.022 -4.101 -3.138 1.00 0.00 C ATOM 779 C PHE A 67 6.991 -5.025 -3.868 1.00 0.00 C ATOM 780 O PHE A 67 8.187 -4.746 -3.940 1.00 0.00 O ATOM 781 CB PHE A 67 6.014 -4.397 -1.635 1.00 0.00 C ATOM 782 CG PHE A 67 5.681 -3.180 -0.817 1.00 0.00 C ATOM 783 CD1 PHE A 67 6.318 -1.983 -1.097 1.00 0.00 C ATOM 784 CD2 PHE A 67 4.747 -3.217 0.214 1.00 0.00 C ATOM 785 CE1 PHE A 67 6.042 -0.846 -0.377 1.00 0.00 C ATOM 786 CE2 PHE A 67 4.467 -2.071 0.940 1.00 0.00 C ATOM 787 CZ PHE A 67 5.119 -0.886 0.640 1.00 0.00 C ATOM 788 HA PHE A 67 6.374 -3.080 -3.284 1.00 0.00 H ATOM 789 HB2 PHE A 67 5.272 -5.169 -1.433 1.00 0.00 H ATOM 790 HB3 PHE A 67 7.000 -4.757 -1.343 1.00 0.00 H ATOM 791 HD2 PHE A 67 4.235 -4.150 0.451 1.00 0.00 H ATOM 792 HE2 PHE A 67 3.734 -2.102 1.747 1.00 0.00 H ATOM 793 HZ PHE A 67 4.899 0.016 1.212 1.00 0.00 H ATOM 794 HE1 PHE A 67 6.555 0.087 -0.612 1.00 0.00 H ATOM 795 HD1 PHE A 67 7.051 -1.942 -1.903 1.00 0.00 H ATOM 796 H PHE A 67 3.928 -4.663 -3.159 1.00 0.00 H ATOM 797 N GLN A 68 6.477 -6.118 -4.412 1.00 0.00 N ATOM 798 CA GLN A 68 7.297 -7.055 -5.161 1.00 0.00 C ATOM 799 C GLN A 68 7.698 -6.438 -6.495 1.00 0.00 C ATOM 800 O GLN A 68 8.832 -6.581 -6.948 1.00 0.00 O ATOM 801 CB GLN A 68 6.553 -8.370 -5.404 1.00 0.00 C ATOM 802 CG GLN A 68 7.434 -9.479 -5.963 1.00 0.00 C ATOM 803 CD GLN A 68 6.704 -10.802 -6.051 1.00 0.00 C ATOM 804 OE1 GLN A 68 5.797 -11.077 -5.266 1.00 0.00 O ATOM 805 NE2 GLN A 68 7.097 -11.637 -6.998 1.00 0.00 N ATOM 806 HA GLN A 68 8.189 -7.271 -4.573 1.00 0.00 H ATOM 807 HB2 GLN A 68 6.134 -8.708 -4.457 1.00 0.00 H ATOM 808 HB3 GLN A 68 5.745 -8.183 -6.111 1.00 0.00 H ATOM 809 HG2 GLN A 68 7.766 -9.194 -6.961 1.00 0.00 H ATOM 810 HG3 GLN A 68 8.301 -9.599 -5.314 1.00 0.00 H ATOM 811 HE22 GLN A 68 7.868 -11.367 -7.642 1.00 0.00 H ATOM 812 HE21 GLN A 68 6.635 -12.563 -7.099 1.00 0.00 H ATOM 813 H GLN A 68 5.461 -6.310 -4.300 1.00 0.00 H ATOM 814 N GLN A 69 6.748 -5.742 -7.117 1.00 0.00 N ATOM 815 CA GLN A 69 6.987 -5.087 -8.398 1.00 0.00 C ATOM 816 C GLN A 69 7.927 -3.900 -8.240 1.00 0.00 C ATOM 817 O GLN A 69 8.793 -3.670 -9.082 1.00 0.00 O ATOM 818 CB GLN A 69 5.669 -4.622 -9.023 1.00 0.00 C ATOM 819 CG GLN A 69 4.723 -5.758 -9.376 1.00 0.00 C ATOM 820 CD GLN A 69 5.363 -6.789 -10.282 1.00 0.00 C ATOM 821 OE1 GLN A 69 5.932 -7.778 -9.817 1.00 0.00 O ATOM 822 NE2 GLN A 69 5.284 -6.558 -11.580 1.00 0.00 N ATOM 823 HA GLN A 69 7.456 -5.817 -9.058 1.00 0.00 H ATOM 824 HB2 GLN A 69 5.166 -3.963 -8.315 1.00 0.00 H ATOM 825 HB3 GLN A 69 5.897 -4.068 -9.934 1.00 0.00 H ATOM 826 HG2 GLN A 69 4.408 -6.249 -8.455 1.00 0.00 H ATOM 827 HG3 GLN A 69 3.851 -5.342 -9.881 1.00 0.00 H ATOM 828 HE22 GLN A 69 4.794 -5.710 -11.928 1.00 0.00 H ATOM 829 HE21 GLN A 69 5.712 -7.225 -12.254 1.00 0.00 H ATOM 830 H GLN A 69 5.809 -5.663 -6.677 1.00 0.00 H ATOM 831 N SER A 70 7.750 -3.147 -7.164 1.00 0.00 N ATOM 832 CA SER A 70 8.596 -1.992 -6.905 1.00 0.00 C ATOM 833 C SER A 70 9.949 -2.424 -6.343 1.00 0.00 C ATOM 834 O SER A 70 10.941 -1.702 -6.451 1.00 0.00 O ATOM 835 CB SER A 70 7.895 -1.022 -5.951 1.00 0.00 C ATOM 836 OG SER A 70 7.436 -1.689 -4.789 1.00 0.00 O ATOM 837 HA SER A 70 8.774 -1.478 -7.849 1.00 0.00 H ATOM 838 HB2 SER A 70 7.044 -0.572 -6.463 1.00 0.00 H ATOM 839 HB3 SER A 70 8.597 -0.241 -5.659 1.00 0.00 H ATOM 840 HG SER A 70 6.795 -2.397 -5.048 1.00 0.00 H ATOM 841 H SER A 70 6.993 -3.386 -6.493 1.00 0.00 H ATOM 842 N GLY A 71 9.974 -3.601 -5.728 1.00 0.00 N ATOM 843 CA GLY A 71 11.217 -4.171 -5.256 1.00 0.00 C ATOM 844 C GLY A 71 11.759 -3.479 -4.024 1.00 0.00 C ATOM 845 O GLY A 71 12.760 -2.765 -4.100 1.00 0.00 O ATOM 846 HA3 GLY A 71 11.958 -4.094 -6.052 1.00 0.00 H ATOM 847 HA2 GLY A 71 11.049 -5.221 -5.018 1.00 0.00 H ATOM 848 H GLY A 71 9.085 -4.121 -5.583 1.00 0.00 H ATOM 849 N THR A 72 11.090 -3.666 -2.895 1.00 0.00 N ATOM 850 CA THR A 72 11.582 -3.141 -1.631 1.00 0.00 C ATOM 851 C THR A 72 12.516 -4.147 -0.971 1.00 0.00 C ATOM 852 O THR A 72 13.666 -3.824 -0.663 1.00 0.00 O ATOM 853 CB THR A 72 10.425 -2.796 -0.674 1.00 0.00 C ATOM 854 OG1 THR A 72 9.472 -3.868 -0.644 1.00 0.00 O ATOM 855 CG2 THR A 72 9.738 -1.508 -1.100 1.00 0.00 C ATOM 856 HA THR A 72 12.130 -2.223 -1.844 1.00 0.00 H ATOM 857 HB THR A 72 10.839 -2.655 0.324 1.00 0.00 H ATOM 858 HG1 THR A 72 8.734 -3.635 -0.026 1.00 0.00 H ATOM 859 HG23 THR A 72 10.467 -0.698 -1.121 1.00 0.00 H ATOM 860 HG21 THR A 72 9.309 -1.638 -2.094 1.00 0.00 H ATOM 861 HG22 THR A 72 8.947 -1.268 -0.390 1.00 0.00 H ATOM 862 H THR A 72 10.197 -4.198 -2.913 1.00 0.00 H ATOM 863 N ALA A 73 12.005 -5.366 -0.769 1.00 0.00 N ATOM 864 CA ALA A 73 12.787 -6.480 -0.236 1.00 0.00 C ATOM 865 C ALA A 73 13.525 -6.102 1.044 1.00 0.00 C ATOM 866 O ALA A 73 14.756 -6.024 1.074 1.00 0.00 O ATOM 867 CB ALA A 73 13.759 -6.980 -1.289 1.00 0.00 C ATOM 868 HA ALA A 73 12.094 -7.281 0.022 1.00 0.00 H ATOM 869 HB1 ALA A 73 13.203 -7.317 -2.164 1.00 0.00 H ATOM 870 HB2 ALA A 73 14.432 -6.171 -1.573 1.00 0.00 H ATOM 871 HB3 ALA A 73 14.337 -7.810 -0.883 1.00 0.00 H ATOM 872 H ALA A 73 11.005 -5.529 -1.002 1.00 0.00 H ATOM 873 N ALA A 74 12.768 -5.893 2.106 1.00 0.00 N ATOM 874 CA ALA A 74 13.334 -5.488 3.382 1.00 0.00 C ATOM 875 C ALA A 74 12.555 -6.117 4.529 1.00 0.00 C ATOM 876 O ALA A 74 12.905 -7.193 5.015 1.00 0.00 O ATOM 877 CB ALA A 74 13.346 -3.971 3.502 1.00 0.00 C ATOM 878 HA ALA A 74 14.364 -5.840 3.435 1.00 0.00 H ATOM 879 HB1 ALA A 74 13.948 -3.549 2.697 1.00 0.00 H ATOM 880 HB2 ALA A 74 12.326 -3.594 3.431 1.00 0.00 H ATOM 881 HB3 ALA A 74 13.773 -3.687 4.464 1.00 0.00 H ATOM 882 H ALA A 74 11.739 -6.022 2.027 1.00 0.00 H ATOM 883 N ASP A 75 11.492 -5.450 4.942 1.00 0.00 N ATOM 884 CA ASP A 75 10.589 -5.984 5.949 1.00 0.00 C ATOM 885 C ASP A 75 9.220 -6.128 5.302 1.00 0.00 C ATOM 886 O ASP A 75 8.399 -5.213 5.343 1.00 0.00 O ATOM 887 CB ASP A 75 10.535 -5.059 7.172 1.00 0.00 C ATOM 888 CG ASP A 75 9.934 -5.725 8.396 1.00 0.00 C ATOM 889 OD1 ASP A 75 10.687 -6.354 9.167 1.00 0.00 O ATOM 890 OD2 ASP A 75 8.714 -5.600 8.612 1.00 0.00 O ATOM 891 HA ASP A 75 10.937 -6.954 6.304 1.00 0.00 H ATOM 892 HB2 ASP A 75 11.550 -4.742 7.412 1.00 0.00 H ATOM 893 HB3 ASP A 75 9.933 -4.186 6.921 1.00 0.00 H ATOM 894 H ASP A 75 11.295 -4.514 4.534 1.00 0.00 H ATOM 895 N GLU A 76 9.009 -7.275 4.669 1.00 0.00 N ATOM 896 CA GLU A 76 7.893 -7.479 3.754 1.00 0.00 C ATOM 897 C GLU A 76 6.541 -7.228 4.411 1.00 0.00 C ATOM 898 O GLU A 76 6.354 -7.462 5.607 1.00 0.00 O ATOM 899 CB GLU A 76 7.961 -8.890 3.177 1.00 0.00 C ATOM 900 CG GLU A 76 9.245 -9.147 2.402 1.00 0.00 C ATOM 901 CD GLU A 76 9.508 -8.093 1.342 1.00 0.00 C ATOM 902 OE1 GLU A 76 10.201 -7.094 1.646 1.00 0.00 O ATOM 903 OE2 GLU A 76 9.019 -8.254 0.205 1.00 0.00 O ATOM 904 HA GLU A 76 7.984 -6.748 2.951 1.00 0.00 H ATOM 905 HB2 GLU A 76 7.899 -9.606 3.997 1.00 0.00 H ATOM 906 HB3 GLU A 76 7.114 -9.034 2.506 1.00 0.00 H ATOM 907 HG2 GLU A 76 10.080 -9.154 3.102 1.00 0.00 H ATOM 908 HG3 GLU A 76 9.171 -10.120 1.916 1.00 0.00 H ATOM 909 H GLU A 76 9.668 -8.062 4.833 1.00 0.00 H TER 910 GLU A 76 HETATM 911 N SER A 1 2.807 18.749 3.693 1.00 0.24 N HETATM 912 CA SER A 1 2.128 17.843 4.636 1.00 0.09 C HETATM 913 C SER A 1 2.303 16.392 4.201 1.00 0.23 C HETATM 914 O SER A 1 1.922 16.008 3.095 1.00 -0.39 O HETATM 915 N SER A 1 2.888 15.586 5.079 1.00 -0.26 N HETATM 916 CA SER A 1 3.151 14.189 4.772 1.00 0.13 C HETATM 917 C SER A 1 1.855 13.387 4.780 1.00 0.20 C HETATM 918 O SER A 1 1.708 12.429 4.029 1.00 -0.39 O HETATM 919 N SER A 1 0.915 13.798 5.622 1.00 -0.26 N HETATM 920 CA SER A 1 -0.397 13.166 5.673 1.00 0.13 C HETATM 921 C SER A 1 -1.096 13.280 4.321 1.00 0.20 C HETATM 922 O SER A 1 -1.635 12.302 3.803 1.00 -0.39 O HETATM 923 N SER A 1 -1.059 14.476 3.745 1.00 -0.26 N HETATM 924 CA SER A 1 -1.665 14.719 2.443 1.00 0.13 C HETATM 925 C SER A 1 -0.905 13.968 1.354 1.00 0.20 C HETATM 926 O SER A 1 -1.473 13.605 0.326 1.00 -0.39 O HETATM 927 N SER A 1 0.381 13.731 1.595 1.00 -0.26 N HETATM 928 CA SER A 1 1.222 12.996 0.654 1.00 0.14 C HETATM 929 C SER A 1 0.707 11.570 0.477 1.00 0.21 C HETATM 930 O SER A 1 0.798 11.004 -0.609 1.00 -0.39 O HETATM 931 N SER A 1 0.133 11.006 1.538 1.00 -0.26 N HETATM 932 CA SER A 1 -0.433 9.663 1.471 1.00 0.14 C HETATM 933 C SER A 1 -1.781 9.696 0.757 1.00 0.21 C HETATM 934 O SER A 1 -2.207 8.718 0.146 1.00 -0.39 O HETATM 935 N SER A 1 -2.438 10.843 0.827 1.00 -0.26 N HETATM 936 CA SER A 1 -3.799 10.983 0.339 1.00 0.13 C HETATM 937 C SER A 1 -3.836 11.436 -1.118 1.00 0.20 C HETATM 938 O SER A 1 -4.327 10.719 -1.987 1.00 -0.39 O HETATM 939 N SER A 1 -3.289 12.618 -1.376 1.00 -0.26 N HETATM 940 CA SER A 1 -3.329 13.230 -2.703 1.00 0.13 C HETATM 941 C SER A 1 -2.639 12.356 -3.746 1.00 0.20 C HETATM 942 O SER A 1 -3.168 12.132 -4.837 1.00 -0.39 O HETATM 943 N SER A 1 -1.464 11.856 -3.399 1.00 -0.26 N HETATM 944 CA SER A 1 -0.647 11.113 -4.345 1.00 0.13 C HETATM 945 C SER A 1 -1.287 9.774 -4.708 1.00 0.20 C HETATM 946 O SER A 1 -1.126 9.289 -5.826 1.00 -0.39 O HETATM 947 N SER A 1 -2.027 9.187 -3.775 1.00 -0.26 N HETATM 948 CA SER A 1 -2.629 7.882 -4.014 1.00 0.14 C HETATM 949 C SER A 1 -4.044 8.031 -4.573 1.00 0.21 C HETATM 950 O SER A 1 -4.610 7.082 -5.116 1.00 -0.39 O HETATM 951 N SER A 1 -4.612 9.225 -4.431 1.00 -0.26 N HETATM 952 CA SER A 1 -5.933 9.515 -4.986 1.00 0.14 C HETATM 953 C SER A 1 -5.921 9.313 -6.496 1.00 0.21 C HETATM 954 O SER A 1 -6.837 8.717 -7.069 1.00 -0.39 O HETATM 955 N SER A 1 -4.866 9.809 -7.123 1.00 -0.27 N HETATM 956 CA SER A 1 -4.673 9.661 -8.555 1.00 0.12 C HETATM 957 C SER A 1 -3.191 9.480 -8.853 1.00 0.06 C HETATM 958 O SER A 1 -2.440 10.477 -8.769 1.00 -0.57 O HETATM 959 OXT SER A 1 -2.778 8.339 -9.149 1.00 -0.57 O HETATM 960 CB SER A 1 -5.218 10.884 -9.301 1.00 0.08 C HETATM 961 OG SER A 1 -6.591 11.104 -9.001 1.00 -0.39 O HETATM 962 H95 SER A 1 -6.691 11.250 -8.068 1.00 0.21 H HETATM 963 H93 SER A 1 -5.110 10.721 -10.383 1.00 0.06 H HETATM 964 H94 SER A 1 -4.640 11.771 -9.004 1.00 0.06 H HETATM 965 H92 SER A 1 -5.217 8.768 -8.896 1.00 0.07 H HETATM 966 H91 SER A 1 -4.178 10.303 -6.592 1.00 0.19 H HETATM 967 CB SER A 1 -6.352 10.952 -4.656 1.00 0.04 C HETATM 968 CG SER A 1 -7.650 11.349 -5.331 1.00 0.04 C HETATM 969 OD1 SER A 1 -7.600 11.862 -6.472 1.00 -0.57 O HETATM 970 OD2 SER A 1 -8.724 11.153 -4.726 1.00 -0.57 O HETATM 971 H89 SER A 1 -5.558 11.636 -4.989 1.00 0.05 H HETATM 972 H90 SER A 1 -6.479 11.041 -3.567 1.00 0.05 H HETATM 973 H88 SER A 1 -6.663 8.823 -4.541 1.00 0.08 H HETATM 974 H87 SER A 1 -4.124 9.942 -3.933 1.00 0.19 H HETATM 975 CB SER A 1 -2.655 7.046 -2.732 1.00 0.02 C HETATM 976 CG SER A 1 -2.663 5.573 -3.002 1.00 -0.04 C HETATM 977 CD1 SER A 1 -3.852 4.876 -3.145 1.00 -0.06 C HETATM 978 CE1 SER A 1 -3.847 3.521 -3.413 1.00 -0.07 C HETATM 979 CZ SER A 1 -2.647 2.850 -3.532 1.00 -0.07 C HETATM 980 CE2 SER A 1 -1.460 3.535 -3.389 1.00 -0.07 C HETATM 981 CD2 SER A 1 -1.471 4.886 -3.126 1.00 -0.06 C HETATM 982 H83 SER A 1 -0.533 5.417 -3.015 1.00 0.06 H HETATM 983 H85 SER A 1 -0.517 3.009 -3.484 1.00 0.06 H HETATM 984 H86 SER A 1 -2.638 1.786 -3.738 1.00 0.06 H HETATM 985 H84 SER A 1 -4.783 2.986 -3.530 1.00 0.06 H HETATM 986 H82 SER A 1 -4.796 5.400 -3.046 1.00 0.06 H HETATM 987 H80 SER A 1 -3.560 7.304 -2.162 1.00 0.05 H HETATM 988 H81 SER A 1 -1.764 7.289 -2.135 1.00 0.05 H HETATM 989 H79 SER A 1 -2.016 7.353 -4.759 1.00 0.08 H HETATM 990 H78 SER A 1 -2.173 9.646 -2.898 1.00 0.19 H HETATM 991 CB SER A 1 0.754 10.890 -3.771 1.00 -0.01 C HETATM 992 CG SER A 1 1.775 10.297 -4.745 1.00 -0.04 C HETATM 993 CD1 SER A 1 2.009 11.237 -5.916 1.00 -0.06 C HETATM 994 H72 SER A 1 2.745 10.792 -6.602 1.00 0.02 H HETATM 995 H73 SER A 1 2.390 12.199 -5.543 1.00 0.02 H HETATM 996 H74 SER A 1 1.061 11.400 -6.450 1.00 0.02 H HETATM 997 CD2 SER A 1 3.083 10.007 -4.030 1.00 -0.06 C HETATM 998 H75 SER A 1 2.897 9.326 -3.186 1.00 0.02 H HETATM 999 H76 SER A 1 3.512 10.948 -3.654 1.00 0.02 H HETATM 1000 H77 SER A 1 3.788 9.537 -4.731 1.00 0.02 H HETATM 1001 H71 SER A 1 1.374 9.350 -5.135 1.00 0.03 H HETATM 1002 H69 SER A 1 0.665 10.206 -2.914 1.00 0.03 H HETATM 1003 H70 SER A 1 1.138 11.861 -3.426 1.00 0.03 H HETATM 1004 H68 SER A 1 -0.556 11.711 -5.264 1.00 0.08 H HETATM 1005 H67 SER A 1 -1.131 11.992 -2.466 1.00 0.19 H HETATM 1006 CB SER A 1 -2.655 14.604 -2.656 1.00 -0.00 C HETATM 1007 CG SER A 1 -2.592 15.312 -4.001 1.00 0.00 C HETATM 1008 CD SER A 1 -3.946 15.788 -4.479 1.00 0.04 C HETATM 1009 OE1 SER A 1 -4.202 17.008 -4.404 1.00 -0.57 O HETATM 1010 OE2 SER A 1 -4.753 14.951 -4.934 1.00 -0.57 O HETATM 1011 H65 SER A 1 -2.182 14.614 -4.746 1.00 0.04 H HETATM 1012 H66 SER A 1 -1.926 16.183 -3.909 1.00 0.04 H HETATM 1013 H63 SER A 1 -1.627 14.472 -2.287 1.00 0.03 H HETATM 1014 H64 SER A 1 -3.217 15.241 -1.957 1.00 0.03 H HETATM 1015 H62 SER A 1 -4.381 13.359 -2.997 1.00 0.08 H HETATM 1016 H61 SER A 1 -2.832 13.108 -0.634 1.00 0.19 H HETATM 1017 CB SER A 1 -4.553 11.972 1.225 1.00 0.00 C HETATM 1018 CG SER A 1 -4.669 11.513 2.670 1.00 0.04 C HETATM 1019 CD SER A 1 -5.239 12.582 3.581 1.00 0.17 C HETATM 1020 OE1 SER A 1 -5.052 13.775 3.345 1.00 -0.40 O HETATM 1021 NE2 SER A 1 -5.936 12.160 4.626 1.00 -0.30 N HETATM 1022 H59 SER A 1 -6.335 12.822 5.261 1.00 0.18 H HETATM 1023 H60 SER A 1 -6.063 11.180 4.780 1.00 0.18 H HETATM 1024 H57 SER A 1 -3.668 11.239 3.033 1.00 0.05 H HETATM 1025 H58 SER A 1 -5.327 10.632 2.707 1.00 0.05 H HETATM 1026 H55 SER A 1 -5.566 12.104 0.818 1.00 0.03 H HETATM 1027 H56 SER A 1 -4.021 12.935 1.206 1.00 0.03 H HETATM 1028 H54 SER A 1 -4.294 10.003 0.406 1.00 0.08 H HETATM 1029 H53 SER A 1 -1.983 11.638 1.228 1.00 0.19 H HETATM 1030 CB SER A 1 -0.625 9.073 2.874 1.00 0.02 C HETATM 1031 CG SER A 1 0.640 8.893 3.668 1.00 -0.04 C HETATM 1032 CD1 SER A 1 0.836 9.603 4.840 1.00 -0.06 C HETATM 1033 CE1 SER A 1 1.988 9.435 5.585 1.00 -0.07 C HETATM 1034 CZ SER A 1 2.961 8.553 5.160 1.00 -0.07 C HETATM 1035 CE2 SER A 1 2.778 7.840 3.991 1.00 -0.07 C HETATM 1036 CD2 SER A 1 1.623 8.011 3.253 1.00 -0.06 C HETATM 1037 H49 SER A 1 1.485 7.447 2.337 1.00 0.06 H HETATM 1038 H51 SER A 1 3.540 7.147 3.653 1.00 0.06 H HETATM 1039 H52 SER A 1 3.866 8.420 5.742 1.00 0.06 H HETATM 1040 H50 SER A 1 2.127 9.995 6.502 1.00 0.06 H HETATM 1041 H48 SER A 1 0.077 10.299 5.178 1.00 0.06 H HETATM 1042 H46 SER A 1 -1.104 8.088 2.767 1.00 0.05 H HETATM 1043 H47 SER A 1 -1.289 9.744 3.438 1.00 0.05 H HETATM 1044 H45 SER A 1 0.257 9.019 0.906 1.00 0.08 H HETATM 1045 H44 SER A 1 0.089 11.514 2.398 1.00 0.19 H HETATM 1046 CB SER A 1 2.677 12.995 1.142 1.00 0.02 C HETATM 1047 CG SER A 1 3.661 12.442 0.151 1.00 -0.04 C HETATM 1048 CD1 SER A 1 4.074 13.204 -0.930 1.00 -0.06 C HETATM 1049 CE1 SER A 1 4.986 12.705 -1.839 1.00 -0.07 C HETATM 1050 CZ SER A 1 5.498 11.433 -1.673 1.00 -0.07 C HETATM 1051 CE2 SER A 1 5.095 10.665 -0.598 1.00 -0.07 C HETATM 1052 CD2 SER A 1 4.185 11.169 0.308 1.00 -0.06 C HETATM 1053 H40 SER A 1 3.877 10.563 1.152 1.00 0.06 H HETATM 1054 H42 SER A 1 5.494 9.666 -0.466 1.00 0.06 H HETATM 1055 H43 SER A 1 6.214 11.038 -2.385 1.00 0.06 H HETATM 1056 H41 SER A 1 5.300 13.311 -2.682 1.00 0.06 H HETATM 1057 H39 SER A 1 3.677 14.204 -1.064 1.00 0.06 H HETATM 1058 H37 SER A 1 2.733 12.388 2.058 1.00 0.05 H HETATM 1059 H38 SER A 1 2.964 14.032 1.371 1.00 0.05 H HETATM 1060 H36 SER A 1 1.182 13.503 -0.321 1.00 0.08 H HETATM 1061 H35 SER A 1 0.784 14.066 2.446 1.00 0.19 H HETATM 1062 CB SER A 1 -1.677 16.216 2.129 1.00 -0.01 C HETATM 1063 CG SER A 1 -2.391 16.566 0.833 1.00 -0.04 C HETATM 1064 CD SER A 1 -2.124 18.003 0.425 1.00 -0.01 C HETATM 1065 CE SER A 1 -2.854 18.363 -0.859 1.00 -0.04 C HETATM 1066 NZ SER A 1 -2.419 19.681 -1.389 1.00 0.22 N HETATM 1067 H32 SER A 1 -2.923 19.885 -2.238 1.00 0.20 H HETATM 1068 H33 SER A 1 -1.430 19.655 -1.583 1.00 0.20 H HETATM 1069 H34 SER A 1 -2.609 20.397 -0.706 1.00 0.20 H HETATM 1070 H30 SER A 1 -3.934 18.400 -0.656 1.00 0.08 H HETATM 1071 H31 SER A 1 -2.649 17.590 -1.614 1.00 0.08 H HETATM 1072 H28 SER A 1 -1.043 18.136 0.271 1.00 0.03 H HETATM 1073 H29 SER A 1 -2.464 18.672 1.229 1.00 0.03 H HETATM 1074 H26 SER A 1 -3.474 16.429 0.972 1.00 0.03 H HETATM 1075 H27 SER A 1 -2.036 15.896 0.036 1.00 0.03 H HETATM 1076 H24 SER A 1 -0.636 16.563 2.056 1.00 0.03 H HETATM 1077 H25 SER A 1 -2.181 16.739 2.955 1.00 0.03 H HETATM 1078 H23 SER A 1 -2.703 14.355 2.465 1.00 0.08 H HETATM 1079 H22 SER A 1 -0.603 15.230 4.218 1.00 0.19 H HETATM 1080 CB SER A 1 -1.272 13.798 6.761 1.00 -0.00 C HETATM 1081 CG SER A 1 -0.652 13.775 8.149 1.00 0.00 C HETATM 1082 CD SER A 1 0.289 14.939 8.394 1.00 0.04 C HETATM 1083 OE1 SER A 1 1.485 14.829 8.053 1.00 -0.57 O HETATM 1084 OE2 SER A 1 -0.164 15.971 8.922 1.00 -0.57 O HETATM 1085 H20 SER A 1 -0.089 12.838 8.266 1.00 0.04 H HETATM 1086 H21 SER A 1 -1.460 13.813 8.895 1.00 0.04 H HETATM 1087 H18 SER A 1 -2.225 13.250 6.800 1.00 0.03 H HETATM 1088 H19 SER A 1 -1.463 14.846 6.485 1.00 0.03 H HETATM 1089 H17 SER A 1 -0.260 12.101 5.910 1.00 0.08 H HETATM 1090 H16 SER A 1 1.112 14.561 6.237 1.00 0.19 H HETATM 1091 CB SER A 1 4.164 13.612 5.765 1.00 0.00 C HETATM 1092 CG SER A 1 4.503 12.149 5.520 1.00 0.04 C HETATM 1093 CD SER A 1 5.696 11.684 6.329 1.00 0.17 C HETATM 1094 OE1 SER A 1 6.614 12.455 6.601 1.00 -0.40 O HETATM 1095 NE2 SER A 1 5.688 10.424 6.722 1.00 -0.30 N HETATM 1096 H14 SER A 1 6.450 10.063 7.259 1.00 0.18 H HETATM 1097 H15 SER A 1 4.920 9.831 6.483 1.00 0.18 H HETATM 1098 H12 SER A 1 4.728 12.014 4.452 1.00 0.05 H HETATM 1099 H13 SER A 1 3.632 11.535 5.792 1.00 0.05 H HETATM 1100 H10 SER A 1 3.747 13.706 6.779 1.00 0.03 H HETATM 1101 H11 SER A 1 5.092 14.199 5.694 1.00 0.03 H HETATM 1102 H9 SER A 1 3.585 14.131 3.763 1.00 0.08 H HETATM 1103 H8 SER A 1 3.154 15.948 5.972 1.00 0.19 H HETATM 1104 CB SER A 1 0.646 18.209 4.712 1.00 0.10 C HETATM 1105 OG SER A 1 0.115 18.445 3.420 1.00 -0.39 O HETATM 1106 H7 SER A 1 0.209 17.661 2.892 1.00 0.21 H HETATM 1107 H5 SER A 1 0.531 19.118 5.320 1.00 0.06 H HETATM 1108 H6 SER A 1 0.095 17.381 5.182 1.00 0.06 H HETATM 1109 H4 SER A 1 2.576 17.967 5.633 1.00 0.11 H HETATM 1110 H1 SER A 1 2.682 19.703 3.994 1.00 0.20 H HETATM 1111 H2 SER A 1 2.413 18.633 2.773 1.00 0.20 H HETATM 1112 H3 SER A 1 3.791 18.531 3.667 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 911 912 1110 1111 1112 CONECT 912 911 913 1104 1109 CONECT 913 912 914 915 CONECT 914 913 CONECT 915 913 916 1103 CONECT 916 915 917 1091 1102 CONECT 917 916 918 919 CONECT 918 917 CONECT 919 917 920 1090 CONECT 920 919 921 1080 1089 CONECT 921 920 922 923 CONECT 922 921 CONECT 923 921 924 1079 CONECT 924 923 925 1062 1078 CONECT 925 924 926 927 CONECT 926 925 CONECT 927 925 928 1061 CONECT 928 927 929 1046 1060 CONECT 929 928 930 931 CONECT 930 929 CONECT 931 929 932 1045 CONECT 932 931 933 1030 1044 CONECT 933 932 934 935 CONECT 934 933 CONECT 935 933 936 1029 CONECT 936 935 937 1017 1028 CONECT 937 936 938 939 CONECT 938 937 CONECT 939 937 940 1016 CONECT 940 939 941 1006 1015 CONECT 941 940 942 943 CONECT 942 941 CONECT 943 941 944 1005 CONECT 944 943 945 991 1004 CONECT 945 944 946 947 CONECT 946 945 CONECT 947 945 948 990 CONECT 948 947 949 975 989 CONECT 949 948 950 951 CONECT 950 949 CONECT 951 949 952 974 CONECT 952 951 953 967 973 CONECT 953 952 954 955 CONECT 954 953 CONECT 955 953 956 966 CONECT 956 955 957 960 965 CONECT 957 956 958 959 CONECT 958 957 CONECT 959 957 CONECT 960 956 961 963 964 CONECT 961 960 962 CONECT 962 961 CONECT 963 960 CONECT 964 960 CONECT 965 956 CONECT 966 955 CONECT 967 952 968 971 972 CONECT 968 967 969 970 CONECT 969 968 CONECT 970 968 CONECT 971 967 CONECT 972 967 CONECT 973 952 CONECT 974 951 CONECT 975 948 976 987 988 CONECT 976 975 977 981 CONECT 977 976 978 986 CONECT 978 977 979 985 CONECT 979 978 980 984 CONECT 980 979 981 983 CONECT 981 976 980 982 CONECT 982 981 CONECT 983 980 CONECT 984 979 CONECT 985 978 CONECT 986 977 CONECT 987 975 CONECT 988 975 CONECT 989 948 CONECT 990 947 CONECT 991 944 992 1002 1003 CONECT 992 991 993 997 1001 CONECT 993 992 994 995 996 CONECT 994 993 CONECT 995 993 CONECT 996 993 CONECT 997 992 998 999 1000 CONECT 998 997 CONECT 999 997 CONECT 1000 997 CONECT 1001 992 CONECT 1002 991 CONECT 1003 991 CONECT 1004 944 CONECT 1005 943 CONECT 1006 940 1007 1013 1014 CONECT 1007 1006 1008 1011 1012 CONECT 1008 1007 1009 1010 CONECT 1009 1008 CONECT 1010 1008 CONECT 1011 1007 CONECT 1012 1007 CONECT 1013 1006 CONECT 1014 1006 CONECT 1015 940 CONECT 1016 939 CONECT 1017 936 1018 1026 1027 CONECT 1018 1017 1019 1024 1025 CONECT 1019 1018 1020 1021 CONECT 1020 1019 CONECT 1021 1019 1022 1023 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1018 CONECT 1025 1018 CONECT 1026 1017 CONECT 1027 1017 CONECT 1028 936 CONECT 1029 935 CONECT 1030 932 1031 1042 1043 CONECT 1031 1030 1032 1036 CONECT 1032 1031 1033 1041 CONECT 1033 1032 1034 1040 CONECT 1034 1033 1035 1039 CONECT 1035 1034 1036 1038 CONECT 1036 1031 1035 1037 CONECT 1037 1036 CONECT 1038 1035 CONECT 1039 1034 CONECT 1040 1033 CONECT 1041 1032 CONECT 1042 1030 CONECT 1043 1030 CONECT 1044 932 CONECT 1045 931 CONECT 1046 928 1047 1058 1059 CONECT 1047 1046 1048 1052 CONECT 1048 1047 1049 1057 CONECT 1049 1048 1050 1056 CONECT 1050 1049 1051 1055 CONECT 1051 1050 1052 1054 CONECT 1052 1047 1051 1053 CONECT 1053 1052 CONECT 1054 1051 CONECT 1055 1050 CONECT 1056 1049 CONECT 1057 1048 CONECT 1058 1046 CONECT 1059 1046 CONECT 1060 928 CONECT 1061 927 CONECT 1062 924 1063 1076 1077 CONECT 1063 1062 1064 1074 1075 CONECT 1064 1063 1065 1072 1073 CONECT 1065 1064 1066 1070 1071 CONECT 1066 1065 1067 1068 1069 CONECT 1067 1066 CONECT 1068 1066 CONECT 1069 1066 CONECT 1070 1065 CONECT 1071 1065 CONECT 1072 1064 CONECT 1073 1064 CONECT 1074 1063 CONECT 1075 1063 CONECT 1076 1062 CONECT 1077 1062 CONECT 1078 924 CONECT 1079 923 CONECT 1080 920 1081 1087 1088 CONECT 1081 1080 1082 1085 1086 CONECT 1082 1081 1083 1084 CONECT 1083 1082 CONECT 1084 1082 CONECT 1085 1081 CONECT 1086 1081 CONECT 1087 1080 CONECT 1088 1080 CONECT 1089 920 CONECT 1090 919 CONECT 1091 916 1092 1100 1101 CONECT 1092 1091 1093 1098 1099 CONECT 1093 1092 1094 1095 CONECT 1094 1093 CONECT 1095 1093 1096 1097 CONECT 1096 1095 CONECT 1097 1095 CONECT 1098 1092 CONECT 1099 1092 CONECT 1100 1091 CONECT 1101 1091 CONECT 1102 916 CONECT 1103 915 CONECT 1104 912 1105 1107 1108 CONECT 1105 1104 1106 CONECT 1106 1105 CONECT 1107 1104 CONECT 1108 1104 CONECT 1109 912 CONECT 1110 911 CONECT 1111 911 CONECT 1112 911 MASTER 0 0 0 0 0 0 0 0 1111 1 206 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: 2w85
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
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
5tbn
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
2w85
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Peroxisomal Membrane Anchor Protein Pex14
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=9.17uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Embo J. Vol. 28: pp. 745-754
Ligand Properties
Formula
C
6
9
H
9
9
N
1
5
O
2
3
Molecular Weight
1506.610
Exact Mass
1505.700
No. of atoms
206
No. of bonds
208
Polar Surface Area
651.22
LOGP Value
-3.32 (
Computed with XLOGP3
)
-1.38 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 23
No. of Rotatable Bonds: 60
No. of Nitrogen and Oxygen Atoms: 38
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CO)CC(=O)O)Cc1ccccc1)CC(C)C)CCC(=O)O)CCC(=O)N)Cc1ccccc1)Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CCC(=O)N)CCC(=O)O
InChI String
InChI=1S/C69H97N15O23/c1-37(2)30-47(64(101)81-50(33-40-18-10-5-11-19-40)67(104)83-51(34-57(93)94)68(105)84-52(36-86)69(106)107)79-63(100)46(24-28-56(91)92)77-61(98)44(22-26-54(73)88)78-65(102)48(31-38-14-6-3-7-15-38)82-66(103)49(32-39-16-8-4-9-17-39)80-59(96)42(20-12-13-29-70)75-62(99)45(23-27-55(89)90)76-60(97)43(21-25-53(72)87)74-58(95)41(71)35-85/h3-11,14-19,37,41-52,85-86H,12-13,20-36,70-71H2,1-2H3,(H2,72,87)(H2,73,88)(H,74,95)(H,75,99)(H,76,97)(H,77,98)(H,78,102)(H,79,100)(H,80,96)(H,81,101)(H,82,103)(H,83,104)(H,84,105)(H,89,90)(H,91,92)(H,93,94)(H,106,107)/p+2/t41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/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):
O75381
P40855
Entrez Gene ID
NCBI Entrez Gene ID:
5195
5824
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