Browse entries in the PDBbind-CN Database
HEADER 1OM2_COMPLEX COMPND 1OM2_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 ARG ALA GLY LEU SER LYS LEU PRO ASP LEU LYS ASP ALA SEQRES 2 A 95 GLU ALA VAL GLN LYS PHE PHE LEU GLU GLU ILE GLN LEU SEQRES 3 A 95 GLY GLU GLU LEU LEU ALA GLN GLY ASP TYR GLU LYS GLY SEQRES 4 A 95 VAL ASP HIS LEU THR ASN ALA ILE ALA VAL CYS GLY GLN SEQRES 5 A 95 PRO GLN GLN LEU LEU GLN VAL LEU GLN GLN THR LEU PRO SEQRES 6 A 95 PRO PRO VAL PHE GLN MET LEU LEU THR LYS LEU PRO THR SEQRES 7 A 95 ILE SER GLN ARG ILE VAL SER ALA GLN SER LEU GLY GLU SEQRES 8 A 95 ASP ASP VAL GLU HET GLY A 96 182 ATOM 1 N ARG A 1 1.312 0.028 -0.330 1.00 0.00 N ATOM 2 CA ARG A 1 2.200 0.305 -1.474 1.00 0.00 C ATOM 3 C ARG A 1 3.168 1.432 -1.109 1.00 0.00 C ATOM 4 O ARG A 1 4.212 1.158 -0.524 1.00 0.00 O ATOM 5 CB ARG A 1 1.408 0.591 -2.764 1.00 0.00 C ATOM 6 CG ARG A 1 0.624 -0.614 -3.311 1.00 0.00 C ATOM 7 CD ARG A 1 1.538 -1.716 -3.869 1.00 0.00 C ATOM 8 NE ARG A 1 0.764 -2.786 -4.521 1.00 0.00 N ATOM 9 CZ ARG A 1 0.282 -2.756 -5.777 1.00 0.00 C ATOM 10 NH1 ARG A 1 0.445 -1.673 -6.548 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.371 -3.821 -6.261 1.00 0.00 N ATOM 12 HA ARG A 1 2.788 -0.587 -1.689 1.00 0.00 H ATOM 13 HB2 ARG A 1 0.700 1.393 -2.558 1.00 0.00 H ATOM 14 HB3 ARG A 1 2.111 0.917 -3.531 1.00 0.00 H ATOM 15 HG2 ARG A 1 0.024 -1.034 -2.504 1.00 0.00 H ATOM 16 HG3 ARG A 1 -0.033 -0.269 -4.109 1.00 0.00 H ATOM 17 HD2 ARG A 1 2.115 -2.145 -3.050 1.00 0.00 H ATOM 18 HD3 ARG A 1 2.218 -1.276 -4.599 1.00 0.00 H ATOM 19 HE ARG A 1 0.573 -3.641 -3.961 1.00 0.00 H ATOM 20 HH12 ARG A 1 0.067 -1.663 -7.517 1.00 0.00 H ATOM 21 HH11 ARG A 1 0.949 -0.842 -6.178 1.00 0.00 H ATOM 22 HH22 ARG A 1 -0.746 -3.804 -7.231 1.00 0.00 H ATOM 23 HH21 ARG A 1 -0.503 -4.664 -5.667 1.00 0.00 H ATOM 24 HN3 ARG A 1 0.773 0.886 -0.096 1.00 0.00 H ATOM 25 HN2 ARG A 1 1.884 -0.258 0.490 1.00 0.00 H ATOM 26 HN1 ARG A 1 0.655 -0.738 -0.580 1.00 0.00 H ATOM 27 N ALA A 2 2.831 2.685 -1.436 1.00 0.00 N ATOM 28 CA ALA A 2 3.649 3.854 -1.149 1.00 0.00 C ATOM 29 C ALA A 2 2.768 5.103 -1.210 1.00 0.00 C ATOM 30 O ALA A 2 1.591 5.010 -1.561 1.00 0.00 O ATOM 31 CB ALA A 2 4.798 3.942 -2.162 1.00 0.00 C ATOM 32 HA ALA A 2 4.082 3.775 -0.152 1.00 0.00 H ATOM 33 HB1 ALA A 2 5.412 3.044 -2.092 1.00 0.00 H ATOM 34 HB2 ALA A 2 4.388 4.025 -3.168 1.00 0.00 H ATOM 35 HB3 ALA A 2 5.407 4.819 -1.943 1.00 0.00 H ATOM 36 H ALA A 2 1.926 2.833 -1.927 1.00 0.00 H ATOM 37 N GLY A 3 3.339 6.263 -0.868 1.00 0.00 N ATOM 38 CA GLY A 3 2.639 7.539 -0.883 1.00 0.00 C ATOM 39 C GLY A 3 2.484 8.081 -2.306 1.00 0.00 C ATOM 40 O GLY A 3 2.836 7.414 -3.279 1.00 0.00 O ATOM 41 HA3 GLY A 3 3.203 8.259 -0.290 1.00 0.00 H ATOM 42 HA2 GLY A 3 1.650 7.405 -0.446 1.00 0.00 H ATOM 43 H GLY A 3 4.337 6.253 -0.576 1.00 0.00 H ATOM 44 N LEU A 4 1.952 9.303 -2.420 1.00 0.00 N ATOM 45 CA LEU A 4 1.723 9.981 -3.686 1.00 0.00 C ATOM 46 C LEU A 4 1.864 11.486 -3.445 1.00 0.00 C ATOM 47 O LEU A 4 1.312 12.003 -2.475 1.00 0.00 O ATOM 48 CB LEU A 4 0.325 9.614 -4.211 1.00 0.00 C ATOM 49 CG LEU A 4 0.204 9.518 -5.742 1.00 0.00 C ATOM 50 CD1 LEU A 4 0.707 10.760 -6.485 1.00 0.00 C ATOM 51 CD2 LEU A 4 0.860 8.250 -6.303 1.00 0.00 C ATOM 52 HA LEU A 4 2.448 9.675 -4.440 1.00 0.00 H ATOM 53 HB2 LEU A 4 0.049 8.647 -3.789 1.00 0.00 H ATOM 54 HB3 LEU A 4 -0.376 10.373 -3.864 1.00 0.00 H ATOM 55 HG LEU A 4 -0.868 9.458 -5.927 1.00 0.00 H ATOM 56 HD21 LEU A 4 1.920 8.247 -6.048 1.00 0.00 H ATOM 57 HD22 LEU A 4 0.379 7.372 -5.871 1.00 0.00 H ATOM 58 HD23 LEU A 4 0.746 8.232 -7.387 1.00 0.00 H ATOM 59 HD11 LEU A 4 0.130 11.629 -6.170 1.00 0.00 H ATOM 60 HD12 LEU A 4 1.760 10.918 -6.254 1.00 0.00 H ATOM 61 HD13 LEU A 4 0.587 10.613 -7.558 1.00 0.00 H ATOM 62 H LEU A 4 1.685 9.800 -1.547 1.00 0.00 H ATOM 63 N SER A 5 2.599 12.189 -4.313 1.00 0.00 N ATOM 64 CA SER A 5 2.818 13.619 -4.244 1.00 0.00 C ATOM 65 C SER A 5 3.380 14.111 -5.578 1.00 0.00 C ATOM 66 O SER A 5 3.585 13.320 -6.498 1.00 0.00 O ATOM 67 CB SER A 5 3.736 13.988 -3.069 1.00 0.00 C ATOM 68 OG SER A 5 3.614 15.369 -2.785 1.00 0.00 O ATOM 69 HA SER A 5 1.865 14.117 -4.062 1.00 0.00 H ATOM 70 HB2 SER A 5 4.769 13.761 -3.331 1.00 0.00 H ATOM 71 HB3 SER A 5 3.450 13.410 -2.190 1.00 0.00 H ATOM 72 HG SER A 5 4.207 15.603 -2.027 1.00 0.00 H ATOM 73 H SER A 5 3.047 11.671 -5.096 1.00 0.00 H ATOM 74 N LYS A 6 3.626 15.421 -5.669 1.00 0.00 N ATOM 75 CA LYS A 6 4.168 16.078 -6.849 1.00 0.00 C ATOM 76 C LYS A 6 5.700 16.061 -6.757 1.00 0.00 C ATOM 77 O LYS A 6 6.235 16.204 -5.660 1.00 0.00 O ATOM 78 CB LYS A 6 3.671 17.540 -6.912 1.00 0.00 C ATOM 79 CG LYS A 6 2.167 17.746 -7.200 1.00 0.00 C ATOM 80 CD LYS A 6 1.399 18.430 -6.061 1.00 0.00 C ATOM 81 CE LYS A 6 1.289 17.565 -4.801 1.00 0.00 C ATOM 82 NZ LYS A 6 0.305 18.123 -3.855 1.00 0.00 N ATOM 83 HA LYS A 6 3.839 15.555 -7.747 1.00 0.00 H ATOM 84 HB2 LYS A 6 3.891 18.006 -5.952 1.00 0.00 H ATOM 85 HB3 LYS A 6 4.231 18.047 -7.698 1.00 0.00 H ATOM 86 HG2 LYS A 6 2.071 18.360 -8.095 1.00 0.00 H ATOM 87 HG3 LYS A 6 1.716 16.770 -7.380 1.00 0.00 H ATOM 88 HD2 LYS A 6 1.914 19.355 -5.802 1.00 0.00 H ATOM 89 HD3 LYS A 6 0.393 18.661 -6.411 1.00 0.00 H ATOM 90 HE2 LYS A 6 2.263 17.519 -4.315 1.00 0.00 H ATOM 91 HE3 LYS A 6 0.979 16.560 -5.086 1.00 0.00 H ATOM 92 HZ1 LYS A 6 0.599 19.081 -3.576 1.00 0.00 H ATOM 93 HZ2 LYS A 6 -0.628 18.165 -4.312 1.00 0.00 H ATOM 94 HZ3 LYS A 6 0.253 17.516 -3.012 1.00 0.00 H ATOM 95 H LYS A 6 3.416 16.012 -4.839 1.00 0.00 H ATOM 96 N LEU A 7 6.399 15.892 -7.893 1.00 0.00 N ATOM 97 CA LEU A 7 7.857 15.857 -7.988 1.00 0.00 C ATOM 98 C LEU A 7 8.511 15.060 -6.853 1.00 0.00 C ATOM 99 O LEU A 7 9.270 15.621 -6.066 1.00 0.00 O ATOM 100 CB LEU A 7 8.409 17.288 -8.103 1.00 0.00 C ATOM 101 CG LEU A 7 7.745 18.123 -9.214 1.00 0.00 C ATOM 102 CD1 LEU A 7 8.300 19.551 -9.178 1.00 0.00 C ATOM 103 CD2 LEU A 7 7.971 17.538 -10.613 1.00 0.00 C ATOM 104 HA LEU A 7 8.121 15.316 -8.897 1.00 0.00 H ATOM 105 HB2 LEU A 7 8.252 17.795 -7.151 1.00 0.00 H ATOM 106 HB3 LEU A 7 9.478 17.229 -8.309 1.00 0.00 H ATOM 107 HG LEU A 7 6.672 18.114 -9.023 1.00 0.00 H ATOM 108 HD21 LEU A 7 9.040 17.498 -10.820 1.00 0.00 H ATOM 109 HD22 LEU A 7 7.553 16.532 -10.657 1.00 0.00 H ATOM 110 HD23 LEU A 7 7.480 18.170 -11.353 1.00 0.00 H ATOM 111 HD11 LEU A 7 8.085 19.999 -8.208 1.00 0.00 H ATOM 112 HD12 LEU A 7 9.378 19.525 -9.337 1.00 0.00 H ATOM 113 HD13 LEU A 7 7.830 20.142 -9.964 1.00 0.00 H ATOM 114 H LEU A 7 5.859 15.777 -8.774 1.00 0.00 H ATOM 115 N PRO A 8 8.224 13.750 -6.763 1.00 0.00 N ATOM 116 CA PRO A 8 8.773 12.892 -5.728 1.00 0.00 C ATOM 117 C PRO A 8 10.296 12.774 -5.844 1.00 0.00 C ATOM 118 O PRO A 8 11.002 13.148 -4.910 1.00 0.00 O ATOM 119 CB PRO A 8 8.047 11.552 -5.865 1.00 0.00 C ATOM 120 CG PRO A 8 7.551 11.534 -7.311 1.00 0.00 C ATOM 121 CD PRO A 8 7.338 13.011 -7.651 1.00 0.00 C ATOM 122 HA PRO A 8 8.612 13.303 -4.731 1.00 0.00 H ATOM 123 HD3 PRO A 8 7.596 13.203 -8.692 1.00 0.00 H ATOM 124 HD2 PRO A 8 6.300 13.296 -7.477 1.00 0.00 H ATOM 125 HG3 PRO A 8 6.616 10.979 -7.393 1.00 0.00 H ATOM 126 HG2 PRO A 8 8.296 11.088 -7.970 1.00 0.00 H ATOM 127 HB2 PRO A 8 8.730 10.723 -5.681 1.00 0.00 H ATOM 128 HB3 PRO A 8 7.210 11.494 -5.169 1.00 0.00 H ATOM 129 N ASP A 9 10.802 12.257 -6.973 1.00 0.00 N ATOM 130 CA ASP A 9 12.237 12.090 -7.196 1.00 0.00 C ATOM 131 C ASP A 9 12.645 12.219 -8.673 1.00 0.00 C ATOM 132 O ASP A 9 13.809 12.477 -8.969 1.00 0.00 O ATOM 133 CB ASP A 9 12.684 10.750 -6.592 1.00 0.00 C ATOM 134 CG ASP A 9 14.163 10.724 -6.211 1.00 0.00 C ATOM 135 OD1 ASP A 9 14.852 11.752 -6.389 1.00 0.00 O ATOM 136 OD2 ASP A 9 14.629 9.651 -5.768 1.00 0.00 O ATOM 137 HA ASP A 9 12.753 12.908 -6.693 1.00 0.00 H ATOM 138 HB2 ASP A 9 12.092 10.559 -5.697 1.00 0.00 H ATOM 139 HB3 ASP A 9 12.500 9.962 -7.323 1.00 0.00 H ATOM 140 H ASP A 9 10.145 11.962 -7.723 1.00 0.00 H ATOM 141 N LEU A 10 11.701 12.051 -9.611 1.00 0.00 N ATOM 142 CA LEU A 10 11.890 12.169 -11.060 1.00 0.00 C ATOM 143 C LEU A 10 12.554 10.982 -11.738 1.00 0.00 C ATOM 144 O LEU A 10 12.430 10.835 -12.953 1.00 0.00 O ATOM 145 CB LEU A 10 12.567 13.485 -11.475 1.00 0.00 C ATOM 146 CG LEU A 10 12.005 14.720 -10.761 1.00 0.00 C ATOM 147 CD1 LEU A 10 12.751 15.966 -11.240 1.00 0.00 C ATOM 148 CD2 LEU A 10 10.514 14.880 -11.045 1.00 0.00 C ATOM 149 HA LEU A 10 10.866 12.176 -11.433 1.00 0.00 H ATOM 150 HB2 LEU A 10 13.631 13.411 -11.249 1.00 0.00 H ATOM 151 HB3 LEU A 10 12.433 13.617 -12.549 1.00 0.00 H ATOM 152 HG LEU A 10 12.141 14.593 -9.687 1.00 0.00 H ATOM 153 HD21 LEU A 10 10.360 14.994 -12.118 1.00 0.00 H ATOM 154 HD22 LEU A 10 9.981 13.997 -10.692 1.00 0.00 H ATOM 155 HD23 LEU A 10 10.140 15.763 -10.527 1.00 0.00 H ATOM 156 HD11 LEU A 10 13.812 15.863 -11.011 1.00 0.00 H ATOM 157 HD12 LEU A 10 12.619 16.075 -12.316 1.00 0.00 H ATOM 158 HD13 LEU A 10 12.352 16.844 -10.733 1.00 0.00 H ATOM 159 H LEU A 10 10.744 11.815 -9.279 1.00 0.00 H ATOM 160 N LYS A 11 13.226 10.128 -10.968 1.00 0.00 N ATOM 161 CA LYS A 11 13.830 8.921 -11.526 1.00 0.00 C ATOM 162 C LYS A 11 12.723 8.098 -12.193 1.00 0.00 C ATOM 163 O LYS A 11 12.934 7.529 -13.263 1.00 0.00 O ATOM 164 CB LYS A 11 14.548 8.066 -10.473 1.00 0.00 C ATOM 165 CG LYS A 11 15.910 8.623 -10.036 1.00 0.00 C ATOM 166 CD LYS A 11 15.795 9.393 -8.721 1.00 0.00 C ATOM 167 CE LYS A 11 17.174 9.764 -8.164 1.00 0.00 C ATOM 168 NZ LYS A 11 17.058 10.363 -6.823 1.00 0.00 N ATOM 169 HA LYS A 11 14.590 9.226 -12.246 1.00 0.00 H ATOM 170 HB2 LYS A 11 13.908 7.997 -9.593 1.00 0.00 H ATOM 171 HB3 LYS A 11 14.702 7.070 -10.888 1.00 0.00 H ATOM 172 HG2 LYS A 11 16.607 7.796 -9.904 1.00 0.00 H ATOM 173 HG3 LYS A 11 16.285 9.293 -10.809 1.00 0.00 H ATOM 174 HD2 LYS A 11 15.225 10.306 -8.894 1.00 0.00 H ATOM 175 HD3 LYS A 11 15.273 8.773 -7.992 1.00 0.00 H ATOM 176 HE2 LYS A 11 17.649 10.480 -8.835 1.00 0.00 H ATOM 177 HE3 LYS A 11 17.787 8.865 -8.101 1.00 0.00 H ATOM 178 HZ1 LYS A 11 16.477 11.224 -6.878 1.00 0.00 H ATOM 179 HZ2 LYS A 11 16.609 9.682 -6.178 1.00 0.00 H ATOM 180 HZ3 LYS A 11 18.006 10.605 -6.469 1.00 0.00 H ATOM 181 H LYS A 11 13.322 10.324 -9.951 1.00 0.00 H ATOM 182 N ASP A 12 11.540 8.058 -11.567 1.00 0.00 N ATOM 183 CA ASP A 12 10.392 7.348 -12.092 1.00 0.00 C ATOM 184 C ASP A 12 9.739 8.211 -13.167 1.00 0.00 C ATOM 185 O ASP A 12 9.545 9.414 -12.992 1.00 0.00 O ATOM 186 CB ASP A 12 9.370 7.072 -10.993 1.00 0.00 C ATOM 187 CG ASP A 12 10.002 6.476 -9.741 1.00 0.00 C ATOM 188 OD1 ASP A 12 10.500 7.287 -8.930 1.00 0.00 O ATOM 189 OD2 ASP A 12 9.983 5.233 -9.626 1.00 0.00 O ATOM 190 HA ASP A 12 10.724 6.395 -12.504 1.00 0.00 H ATOM 191 HB2 ASP A 12 8.882 8.010 -10.726 1.00 0.00 H ATOM 192 HB3 ASP A 12 8.626 6.373 -11.375 1.00 0.00 H ATOM 193 H ASP A 12 11.441 8.560 -10.662 1.00 0.00 H ATOM 194 N ALA A 13 9.397 7.570 -14.281 1.00 0.00 N ATOM 195 CA ALA A 13 8.768 8.209 -15.426 1.00 0.00 C ATOM 196 C ALA A 13 7.280 8.389 -15.176 1.00 0.00 C ATOM 197 O ALA A 13 6.707 9.407 -15.547 1.00 0.00 O ATOM 198 CB ALA A 13 9.026 7.385 -16.690 1.00 0.00 C ATOM 199 HA ALA A 13 9.203 9.198 -15.571 1.00 0.00 H ATOM 200 HB1 ALA A 13 10.100 7.313 -16.863 1.00 0.00 H ATOM 201 HB2 ALA A 13 8.610 6.386 -16.562 1.00 0.00 H ATOM 202 HB3 ALA A 13 8.551 7.871 -17.542 1.00 0.00 H ATOM 203 H ALA A 13 9.591 6.550 -14.337 1.00 0.00 H ATOM 204 N GLU A 14 6.667 7.396 -14.534 1.00 0.00 N ATOM 205 CA GLU A 14 5.254 7.395 -14.196 1.00 0.00 C ATOM 206 C GLU A 14 4.906 8.591 -13.311 1.00 0.00 C ATOM 207 O GLU A 14 3.867 9.212 -13.501 1.00 0.00 O ATOM 208 CB GLU A 14 4.883 6.077 -13.508 1.00 0.00 C ATOM 209 CG GLU A 14 5.096 4.877 -14.439 1.00 0.00 C ATOM 210 CD GLU A 14 4.623 3.587 -13.779 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.388 3.415 -13.697 1.00 0.00 O ATOM 212 OE2 GLU A 14 5.505 2.808 -13.358 1.00 0.00 O ATOM 213 HA GLU A 14 4.674 7.484 -15.114 1.00 0.00 H ATOM 214 HB2 GLU A 14 5.505 5.953 -12.622 1.00 0.00 H ATOM 215 HB3 GLU A 14 3.835 6.114 -13.212 1.00 0.00 H ATOM 216 HG2 GLU A 14 4.534 5.035 -15.359 1.00 0.00 H ATOM 217 HG3 GLU A 14 6.157 4.790 -14.673 1.00 0.00 H ATOM 218 H GLU A 14 7.235 6.570 -14.257 1.00 0.00 H ATOM 219 N ALA A 15 5.776 8.922 -12.352 1.00 0.00 N ATOM 220 CA ALA A 15 5.573 10.046 -11.441 1.00 0.00 C ATOM 221 C ALA A 15 5.632 11.365 -12.196 1.00 0.00 C ATOM 222 O ALA A 15 4.870 12.292 -11.927 1.00 0.00 O ATOM 223 CB ALA A 15 6.675 10.088 -10.380 1.00 0.00 C ATOM 224 HA ALA A 15 4.596 9.910 -10.977 1.00 0.00 H ATOM 225 HB1 ALA A 15 6.661 9.161 -9.806 1.00 0.00 H ATOM 226 HB2 ALA A 15 7.643 10.200 -10.868 1.00 0.00 H ATOM 227 HB3 ALA A 15 6.503 10.933 -9.713 1.00 0.00 H ATOM 228 H ALA A 15 6.640 8.352 -12.249 1.00 0.00 H ATOM 229 N VAL A 16 6.570 11.427 -13.140 1.00 0.00 N ATOM 230 CA VAL A 16 6.797 12.604 -13.963 1.00 0.00 C ATOM 231 C VAL A 16 5.594 12.749 -14.883 1.00 0.00 C ATOM 232 O VAL A 16 5.136 13.864 -15.100 1.00 0.00 O ATOM 233 CB VAL A 16 8.162 12.534 -14.682 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.161 12.881 -16.168 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.231 13.336 -13.961 1.00 0.00 C ATOM 236 HA VAL A 16 6.872 13.510 -13.362 1.00 0.00 H ATOM 237 HB VAL A 16 8.401 11.472 -14.638 1.00 0.00 H ATOM 238 HG11 VAL A 16 7.505 12.192 -16.700 1.00 0.00 H ATOM 239 HG12 VAL A 16 7.803 13.902 -16.301 1.00 0.00 H ATOM 240 HG13 VAL A 16 9.174 12.796 -16.560 1.00 0.00 H ATOM 241 HG21 VAL A 16 8.927 14.382 -13.911 1.00 0.00 H ATOM 242 HG22 VAL A 16 9.358 12.944 -12.952 1.00 0.00 H ATOM 243 HG23 VAL A 16 10.172 13.256 -14.505 1.00 0.00 H ATOM 244 H VAL A 16 7.170 10.592 -13.296 1.00 0.00 H ATOM 245 N GLN A 17 5.068 11.629 -15.393 1.00 0.00 N ATOM 246 CA GLN A 17 3.898 11.650 -16.256 1.00 0.00 C ATOM 247 C GLN A 17 2.689 12.103 -15.449 1.00 0.00 C ATOM 248 O GLN A 17 1.912 12.922 -15.933 1.00 0.00 O ATOM 249 CB GLN A 17 3.653 10.291 -16.937 1.00 0.00 C ATOM 250 CG GLN A 17 2.520 10.324 -17.978 1.00 0.00 C ATOM 251 CD GLN A 17 2.798 11.234 -19.176 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.923 11.671 -19.399 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.762 11.531 -19.959 1.00 0.00 N ATOM 254 HA GLN A 17 4.074 12.361 -17.064 1.00 0.00 H ATOM 255 HB2 GLN A 17 4.572 9.984 -17.436 1.00 0.00 H ATOM 256 HB3 GLN A 17 3.396 9.561 -16.169 1.00 0.00 H ATOM 257 HG2 GLN A 17 2.364 9.310 -18.347 1.00 0.00 H ATOM 258 HG3 GLN A 17 1.613 10.674 -17.486 1.00 0.00 H ATOM 259 HE22 GLN A 17 0.820 11.145 -19.744 1.00 0.00 H ATOM 260 HE21 GLN A 17 1.895 12.149 -20.785 1.00 0.00 H ATOM 261 H GLN A 17 5.510 10.715 -15.165 1.00 0.00 H ATOM 262 N LYS A 18 2.534 11.578 -14.225 1.00 0.00 N ATOM 263 CA LYS A 18 1.402 11.930 -13.375 1.00 0.00 C ATOM 264 C LYS A 18 1.404 13.431 -13.101 1.00 0.00 C ATOM 265 O LYS A 18 0.412 14.107 -13.361 1.00 0.00 O ATOM 266 CB LYS A 18 1.400 11.129 -12.059 1.00 0.00 C ATOM 267 CG LYS A 18 1.157 9.617 -12.232 1.00 0.00 C ATOM 268 CD LYS A 18 -0.048 9.097 -11.434 1.00 0.00 C ATOM 269 CE LYS A 18 -1.395 9.545 -12.019 1.00 0.00 C ATOM 270 NZ LYS A 18 -2.529 9.057 -11.211 1.00 0.00 N ATOM 271 HA LYS A 18 0.487 11.668 -13.907 1.00 0.00 H ATOM 272 HB2 LYS A 18 2.367 11.266 -11.575 1.00 0.00 H ATOM 273 HB3 LYS A 18 0.615 11.529 -11.418 1.00 0.00 H ATOM 274 HG2 LYS A 18 0.986 9.413 -13.289 1.00 0.00 H ATOM 275 HG3 LYS A 18 2.048 9.084 -11.900 1.00 0.00 H ATOM 276 HD2 LYS A 18 -0.017 8.007 -11.428 1.00 0.00 H ATOM 277 HD3 LYS A 18 0.027 9.467 -10.411 1.00 0.00 H ATOM 278 HE2 LYS A 18 -1.488 9.154 -13.032 1.00 0.00 H ATOM 279 HE3 LYS A 18 -1.424 10.634 -12.047 1.00 0.00 H ATOM 280 HZ1 LYS A 18 -2.512 8.017 -11.184 1.00 0.00 H ATOM 281 HZ2 LYS A 18 -2.450 9.431 -10.244 1.00 0.00 H ATOM 282 HZ3 LYS A 18 -3.421 9.380 -11.637 1.00 0.00 H ATOM 283 H LYS A 18 3.240 10.901 -13.872 1.00 0.00 H ATOM 284 N PHE A 19 2.523 13.944 -12.587 1.00 0.00 N ATOM 285 CA PHE A 19 2.674 15.358 -12.283 1.00 0.00 C ATOM 286 C PHE A 19 2.532 16.223 -13.543 1.00 0.00 C ATOM 287 O PHE A 19 1.856 17.248 -13.512 1.00 0.00 O ATOM 288 CB PHE A 19 4.025 15.599 -11.583 1.00 0.00 C ATOM 289 CG PHE A 19 4.508 17.024 -11.750 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.217 17.364 -12.913 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.237 18.011 -10.786 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.636 18.681 -13.117 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.675 19.333 -10.990 1.00 0.00 C ATOM 294 CZ PHE A 19 5.374 19.666 -12.167 1.00 0.00 C ATOM 295 HA PHE A 19 1.873 15.655 -11.606 1.00 0.00 H ATOM 296 HB2 PHE A 19 3.912 15.388 -10.519 1.00 0.00 H ATOM 297 HB3 PHE A 19 4.767 14.924 -12.009 1.00 0.00 H ATOM 298 HD2 PHE A 19 3.688 17.752 -9.881 1.00 0.00 H ATOM 299 HE2 PHE A 19 4.474 20.097 -10.239 1.00 0.00 H ATOM 300 HZ PHE A 19 5.708 20.690 -12.334 1.00 0.00 H ATOM 301 HE1 PHE A 19 6.174 18.941 -14.029 1.00 0.00 H ATOM 302 HD1 PHE A 19 5.441 16.600 -13.657 1.00 0.00 H ATOM 303 H PHE A 19 3.321 13.306 -12.396 1.00 0.00 H ATOM 304 N PHE A 20 3.188 15.824 -14.641 1.00 0.00 N ATOM 305 CA PHE A 20 3.178 16.570 -15.899 1.00 0.00 C ATOM 306 C PHE A 20 1.722 16.792 -16.310 1.00 0.00 C ATOM 307 O PHE A 20 1.313 17.913 -16.609 1.00 0.00 O ATOM 308 CB PHE A 20 3.994 15.799 -16.944 1.00 0.00 C ATOM 309 CG PHE A 20 3.991 16.262 -18.380 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.473 17.539 -18.703 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.537 15.401 -19.397 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.505 17.958 -20.042 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.572 15.820 -20.737 1.00 0.00 C ATOM 314 CZ PHE A 20 4.061 17.095 -21.057 1.00 0.00 C ATOM 315 HA PHE A 20 3.645 17.550 -15.797 1.00 0.00 H ATOM 316 HB2 PHE A 20 5.031 15.812 -16.609 1.00 0.00 H ATOM 317 HB3 PHE A 20 3.625 14.773 -16.941 1.00 0.00 H ATOM 318 HD2 PHE A 20 3.159 14.410 -19.145 1.00 0.00 H ATOM 319 HE2 PHE A 20 3.220 15.156 -21.526 1.00 0.00 H ATOM 320 HZ PHE A 20 4.097 17.417 -22.098 1.00 0.00 H ATOM 321 HE1 PHE A 20 4.874 18.952 -20.294 1.00 0.00 H ATOM 322 HD1 PHE A 20 4.822 18.206 -17.915 1.00 0.00 H ATOM 323 H PHE A 20 3.732 14.939 -14.597 1.00 0.00 H ATOM 324 N LEU A 21 0.933 15.711 -16.279 1.00 0.00 N ATOM 325 CA LEU A 21 -0.486 15.744 -16.583 1.00 0.00 C ATOM 326 C LEU A 21 -1.259 16.551 -15.548 1.00 0.00 C ATOM 327 O LEU A 21 -2.153 17.307 -15.922 1.00 0.00 O ATOM 328 CB LEU A 21 -1.039 14.311 -16.681 1.00 0.00 C ATOM 329 CG LEU A 21 -1.315 13.803 -18.107 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.524 12.285 -18.030 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.563 14.520 -18.624 1.00 0.00 C ATOM 332 HA LEU A 21 -0.615 16.239 -17.546 1.00 0.00 H ATOM 333 HB2 LEU A 21 -0.315 13.639 -16.219 1.00 0.00 H ATOM 334 HB3 LEU A 21 -1.975 14.273 -16.124 1.00 0.00 H ATOM 335 HG LEU A 21 -0.490 14.006 -18.789 1.00 0.00 H ATOM 336 HD21 LEU A 21 -3.406 14.295 -17.971 1.00 0.00 H ATOM 337 HD22 LEU A 21 -2.385 15.595 -18.632 1.00 0.00 H ATOM 338 HD23 LEU A 21 -2.784 14.179 -19.636 1.00 0.00 H ATOM 339 HD11 LEU A 21 -0.626 11.816 -17.627 1.00 0.00 H ATOM 340 HD12 LEU A 21 -2.372 12.069 -17.380 1.00 0.00 H ATOM 341 HD13 LEU A 21 -1.722 11.896 -19.029 1.00 0.00 H ATOM 342 H LEU A 21 1.360 14.798 -16.023 1.00 0.00 H ATOM 343 N GLU A 22 -0.927 16.413 -14.261 1.00 0.00 N ATOM 344 CA GLU A 22 -1.597 17.173 -13.216 1.00 0.00 C ATOM 345 C GLU A 22 -1.449 18.668 -13.501 1.00 0.00 C ATOM 346 O GLU A 22 -2.370 19.428 -13.229 1.00 0.00 O ATOM 347 CB GLU A 22 -1.027 16.829 -11.826 1.00 0.00 C ATOM 348 CG GLU A 22 -1.809 17.502 -10.688 1.00 0.00 C ATOM 349 CD GLU A 22 -1.175 17.204 -9.334 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.354 16.065 -8.851 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.508 18.119 -8.804 1.00 0.00 O ATOM 352 HA GLU A 22 -2.654 16.908 -13.213 1.00 0.00 H ATOM 353 HB2 GLU A 22 -1.069 15.749 -11.688 1.00 0.00 H ATOM 354 HB3 GLU A 22 0.011 17.160 -11.781 1.00 0.00 H ATOM 355 HG2 GLU A 22 -1.815 18.580 -10.849 1.00 0.00 H ATOM 356 HG3 GLU A 22 -2.833 17.130 -10.691 1.00 0.00 H ATOM 357 H GLU A 22 -0.172 15.747 -14.000 1.00 0.00 H ATOM 358 N GLU A 23 -0.300 19.087 -14.045 1.00 0.00 N ATOM 359 CA GLU A 23 0.002 20.478 -14.334 1.00 0.00 C ATOM 360 C GLU A 23 -0.705 20.914 -15.614 1.00 0.00 C ATOM 361 O GLU A 23 -1.329 21.970 -15.639 1.00 0.00 O ATOM 362 CB GLU A 23 1.517 20.695 -14.345 1.00 0.00 C ATOM 363 CG GLU A 23 1.814 22.187 -14.202 1.00 0.00 C ATOM 364 CD GLU A 23 3.247 22.415 -13.750 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.136 21.738 -14.310 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.419 23.253 -12.836 1.00 0.00 O ATOM 367 HA GLU A 23 -0.386 21.124 -13.546 1.00 0.00 H ATOM 368 HB2 GLU A 23 1.969 20.152 -13.515 1.00 0.00 H ATOM 369 HB3 GLU A 23 1.931 20.329 -15.285 1.00 0.00 H ATOM 370 HG2 GLU A 23 1.661 22.675 -15.165 1.00 0.00 H ATOM 371 HG3 GLU A 23 1.135 22.617 -13.466 1.00 0.00 H ATOM 372 H GLU A 23 0.420 18.373 -14.275 1.00 0.00 H ATOM 373 N ILE A 24 -0.639 20.080 -16.658 1.00 0.00 N ATOM 374 CA ILE A 24 -1.331 20.301 -17.936 1.00 0.00 C ATOM 375 C ILE A 24 -2.817 20.591 -17.623 1.00 0.00 C ATOM 376 O ILE A 24 -3.394 21.582 -18.090 1.00 0.00 O ATOM 377 CB ILE A 24 -1.130 19.060 -18.883 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.081 19.132 -19.858 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.374 18.560 -19.626 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.169 18.542 -21.259 1.00 0.00 C ATOM 381 HA ILE A 24 -0.918 21.156 -18.471 1.00 0.00 H ATOM 382 HB ILE A 24 -0.892 18.309 -18.130 1.00 0.00 H ATOM 383 HG12 ILE A 24 0.356 20.180 -19.977 1.00 0.00 H ATOM 384 HG13 ILE A 24 0.911 18.589 -19.406 1.00 0.00 H ATOM 385 HD11 ILE A 24 -0.432 17.488 -21.166 1.00 0.00 H ATOM 386 HD12 ILE A 24 -0.987 19.081 -21.738 1.00 0.00 H ATOM 387 HD13 ILE A 24 0.735 18.641 -21.860 1.00 0.00 H ATOM 388 HG21 ILE A 24 -3.133 18.264 -18.902 1.00 0.00 H ATOM 389 HG22 ILE A 24 -2.764 19.358 -20.258 1.00 0.00 H ATOM 390 HG23 ILE A 24 -2.106 17.703 -20.245 1.00 0.00 H ATOM 391 H ILE A 24 -0.061 19.221 -16.559 1.00 0.00 H ATOM 392 N GLN A 25 -3.432 19.715 -16.813 1.00 0.00 N ATOM 393 CA GLN A 25 -4.842 19.830 -16.448 1.00 0.00 C ATOM 394 C GLN A 25 -5.106 20.992 -15.498 1.00 0.00 C ATOM 395 O GLN A 25 -6.005 21.790 -15.749 1.00 0.00 O ATOM 396 CB GLN A 25 -5.372 18.511 -15.856 1.00 0.00 C ATOM 397 CG GLN A 25 -5.378 17.294 -16.801 1.00 0.00 C ATOM 398 CD GLN A 25 -6.188 16.162 -16.179 1.00 0.00 C ATOM 399 OE1 GLN A 25 -7.380 16.033 -16.441 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.548 15.348 -15.341 1.00 0.00 N ATOM 401 HA GLN A 25 -5.386 20.040 -17.369 1.00 0.00 H ATOM 402 HB2 GLN A 25 -4.753 18.260 -14.995 1.00 0.00 H ATOM 403 HB3 GLN A 25 -6.397 18.682 -15.527 1.00 0.00 H ATOM 404 HG2 GLN A 25 -5.824 17.578 -17.754 1.00 0.00 H ATOM 405 HG3 GLN A 25 -4.354 16.959 -16.966 1.00 0.00 H ATOM 406 HE22 GLN A 25 -4.537 15.493 -15.146 1.00 0.00 H ATOM 407 HE21 GLN A 25 -6.060 14.568 -14.881 1.00 0.00 H ATOM 408 H GLN A 25 -2.881 18.921 -16.429 1.00 0.00 H ATOM 409 N LEU A 26 -4.327 21.086 -14.419 1.00 0.00 N ATOM 410 CA LEU A 26 -4.444 22.149 -13.417 1.00 0.00 C ATOM 411 C LEU A 26 -4.420 23.498 -14.132 1.00 0.00 C ATOM 412 O LEU A 26 -5.276 24.338 -13.875 1.00 0.00 O ATOM 413 CB LEU A 26 -3.345 21.997 -12.349 1.00 0.00 C ATOM 414 CG LEU A 26 -3.166 23.046 -11.246 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.833 24.459 -11.725 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.382 23.054 -10.335 1.00 0.00 C ATOM 417 HA LEU A 26 -5.390 22.080 -12.881 1.00 0.00 H ATOM 418 HB2 LEU A 26 -3.530 21.047 -11.847 1.00 0.00 H ATOM 419 HB3 LEU A 26 -2.397 21.945 -12.885 1.00 0.00 H ATOM 420 HG LEU A 26 -2.278 22.735 -10.696 1.00 0.00 H ATOM 421 HD21 LEU A 26 -5.270 23.295 -10.919 1.00 0.00 H ATOM 422 HD22 LEU A 26 -4.500 22.071 -9.880 1.00 0.00 H ATOM 423 HD23 LEU A 26 -4.245 23.803 -9.555 1.00 0.00 H ATOM 424 HD11 LEU A 26 -1.898 24.440 -12.285 1.00 0.00 H ATOM 425 HD12 LEU A 26 -3.636 24.822 -12.367 1.00 0.00 H ATOM 426 HD13 LEU A 26 -2.728 25.118 -10.863 1.00 0.00 H ATOM 427 H LEU A 26 -3.593 20.362 -14.281 1.00 0.00 H ATOM 428 N GLY A 27 -3.463 23.693 -15.047 1.00 0.00 N ATOM 429 CA GLY A 27 -3.346 24.907 -15.840 1.00 0.00 C ATOM 430 C GLY A 27 -4.639 25.124 -16.603 1.00 0.00 C ATOM 431 O GLY A 27 -5.306 26.121 -16.340 1.00 0.00 O ATOM 432 HA3 GLY A 27 -2.519 24.807 -16.543 1.00 0.00 H ATOM 433 HA2 GLY A 27 -3.162 25.757 -15.183 1.00 0.00 H ATOM 434 H GLY A 27 -2.766 22.936 -15.199 1.00 0.00 H ATOM 435 N GLU A 28 -5.012 24.214 -17.522 1.00 0.00 N ATOM 436 CA GLU A 28 -6.272 24.396 -18.253 1.00 0.00 C ATOM 437 C GLU A 28 -7.444 24.783 -17.330 1.00 0.00 C ATOM 438 O GLU A 28 -8.233 25.668 -17.655 1.00 0.00 O ATOM 439 CB GLU A 28 -6.603 23.172 -19.117 1.00 0.00 C ATOM 440 CG GLU A 28 -7.728 23.518 -20.106 1.00 0.00 C ATOM 441 CD GLU A 28 -8.100 22.340 -20.996 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.752 21.419 -20.463 1.00 0.00 O ATOM 443 OE2 GLU A 28 -7.726 22.379 -22.187 1.00 0.00 O ATOM 444 HA GLU A 28 -6.123 25.241 -18.925 1.00 0.00 H ATOM 445 HB2 GLU A 28 -5.714 22.870 -19.671 1.00 0.00 H ATOM 446 HB3 GLU A 28 -6.925 22.352 -18.475 1.00 0.00 H ATOM 447 HG2 GLU A 28 -8.609 23.823 -19.542 1.00 0.00 H ATOM 448 HG3 GLU A 28 -7.398 24.344 -20.737 1.00 0.00 H ATOM 449 H GLU A 28 -4.411 23.387 -17.713 1.00 0.00 H ATOM 450 N GLU A 29 -7.540 24.136 -16.167 1.00 0.00 N ATOM 451 CA GLU A 29 -8.574 24.390 -15.167 1.00 0.00 C ATOM 452 C GLU A 29 -8.455 25.789 -14.547 1.00 0.00 C ATOM 453 O GLU A 29 -9.462 26.466 -14.360 1.00 0.00 O ATOM 454 CB GLU A 29 -8.599 23.265 -14.123 1.00 0.00 C ATOM 455 CG GLU A 29 -9.727 23.442 -13.103 1.00 0.00 C ATOM 456 CD GLU A 29 -10.055 22.129 -12.395 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.640 21.250 -13.068 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.724 22.026 -11.195 1.00 0.00 O ATOM 459 HA GLU A 29 -9.541 24.384 -15.669 1.00 0.00 H ATOM 460 HB2 GLU A 29 -8.737 22.313 -14.636 1.00 0.00 H ATOM 461 HB3 GLU A 29 -7.646 23.256 -13.594 1.00 0.00 H ATOM 462 HG2 GLU A 29 -9.420 24.178 -12.360 1.00 0.00 H ATOM 463 HG3 GLU A 29 -10.618 23.798 -13.619 1.00 0.00 H ATOM 464 H GLU A 29 -6.832 23.403 -15.959 1.00 0.00 H ATOM 465 N LEU A 30 -7.244 26.261 -14.239 1.00 0.00 N ATOM 466 CA LEU A 30 -7.063 27.603 -13.696 1.00 0.00 C ATOM 467 C LEU A 30 -7.463 28.616 -14.765 1.00 0.00 C ATOM 468 O LEU A 30 -8.097 29.625 -14.463 1.00 0.00 O ATOM 469 CB LEU A 30 -5.612 27.835 -13.233 1.00 0.00 C ATOM 470 CG LEU A 30 -5.306 27.565 -11.746 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.824 27.869 -11.500 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.121 28.457 -10.794 1.00 0.00 C ATOM 473 HA LEU A 30 -7.696 27.723 -12.817 1.00 0.00 H ATOM 474 HB2 LEU A 30 -4.968 27.185 -13.826 1.00 0.00 H ATOM 475 HB3 LEU A 30 -5.363 28.876 -13.438 1.00 0.00 H ATOM 476 HG LEU A 30 -5.566 26.526 -11.544 1.00 0.00 H ATOM 477 HD21 LEU A 30 -5.893 29.504 -10.995 1.00 0.00 H ATOM 478 HD22 LEU A 30 -7.185 28.278 -10.952 1.00 0.00 H ATOM 479 HD23 LEU A 30 -5.860 28.219 -9.763 1.00 0.00 H ATOM 480 HD11 LEU A 30 -3.213 27.225 -12.132 1.00 0.00 H ATOM 481 HD12 LEU A 30 -3.624 28.913 -11.741 1.00 0.00 H ATOM 482 HD13 LEU A 30 -3.586 27.684 -10.453 1.00 0.00 H ATOM 483 H LEU A 30 -6.410 25.658 -14.390 1.00 0.00 H ATOM 484 N LEU A 31 -7.125 28.344 -16.026 1.00 0.00 N ATOM 485 CA LEU A 31 -7.504 29.212 -17.137 1.00 0.00 C ATOM 486 C LEU A 31 -9.012 29.169 -17.317 1.00 0.00 C ATOM 487 O LEU A 31 -9.615 30.173 -17.686 1.00 0.00 O ATOM 488 CB LEU A 31 -6.759 28.781 -18.383 1.00 0.00 C ATOM 489 CG LEU A 31 -5.271 29.144 -18.301 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.625 29.292 -16.915 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.543 28.067 -19.084 1.00 0.00 C ATOM 492 HA LEU A 31 -7.229 30.247 -16.931 1.00 0.00 H ATOM 493 HB2 LEU A 31 -6.855 27.701 -18.498 1.00 0.00 H ATOM 494 HB3 LEU A 31 -7.198 29.278 -19.248 1.00 0.00 H ATOM 495 HG LEU A 31 -5.188 30.156 -18.697 1.00 0.00 H ATOM 496 HD21 LEU A 31 -4.740 27.095 -18.632 1.00 0.00 H ATOM 497 HD22 LEU A 31 -4.896 28.068 -20.115 1.00 0.00 H ATOM 498 HD23 LEU A 31 -3.472 28.267 -19.065 1.00 0.00 H ATOM 499 HD11 LEU A 31 -5.134 30.080 -16.360 1.00 0.00 H ATOM 500 HD12 LEU A 31 -4.712 28.350 -16.373 1.00 0.00 H ATOM 501 HD13 LEU A 31 -3.572 29.550 -17.032 1.00 0.00 H ATOM 502 H LEU A 31 -6.573 27.485 -16.225 1.00 0.00 H ATOM 503 N ALA A 32 -9.620 28.024 -16.995 1.00 0.00 N ATOM 504 CA ALA A 32 -11.067 27.887 -17.002 1.00 0.00 C ATOM 505 C ALA A 32 -11.690 28.880 -16.009 1.00 0.00 C ATOM 506 O ALA A 32 -12.865 29.216 -16.136 1.00 0.00 O ATOM 507 CB ALA A 32 -11.494 26.440 -16.731 1.00 0.00 C ATOM 508 HA ALA A 32 -11.441 28.131 -17.996 1.00 0.00 H ATOM 509 HB1 ALA A 32 -11.081 25.790 -17.502 1.00 0.00 H ATOM 510 HB2 ALA A 32 -11.122 26.129 -15.755 1.00 0.00 H ATOM 511 HB3 ALA A 32 -12.582 26.375 -16.744 1.00 0.00 H ATOM 512 H ALA A 32 -9.039 27.203 -16.730 1.00 0.00 H ATOM 513 N GLN A 33 -10.893 29.375 -15.046 1.00 0.00 N ATOM 514 CA GLN A 33 -11.280 30.382 -14.070 1.00 0.00 C ATOM 515 C GLN A 33 -10.894 31.745 -14.655 1.00 0.00 C ATOM 516 O GLN A 33 -11.642 32.713 -14.536 1.00 0.00 O ATOM 517 CB GLN A 33 -10.591 30.102 -12.724 1.00 0.00 C ATOM 518 CG GLN A 33 -11.620 29.964 -11.598 1.00 0.00 C ATOM 519 CD GLN A 33 -10.944 29.697 -10.256 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.006 30.521 -9.349 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.291 28.542 -10.123 1.00 0.00 N ATOM 522 HA GLN A 33 -12.352 30.365 -13.873 1.00 0.00 H ATOM 523 HB2 GLN A 33 -10.020 29.176 -12.801 1.00 0.00 H ATOM 524 HB3 GLN A 33 -9.916 30.925 -12.491 1.00 0.00 H ATOM 525 HG2 GLN A 33 -12.196 30.887 -11.528 1.00 0.00 H ATOM 526 HG3 GLN A 33 -12.290 29.136 -11.829 1.00 0.00 H ATOM 527 HE22 GLN A 33 -10.260 27.868 -10.914 1.00 0.00 H ATOM 528 HE21 GLN A 33 -9.813 28.315 -9.228 1.00 0.00 H ATOM 529 H GLN A 33 -9.921 29.008 -14.995 1.00 0.00 H ATOM 530 N GLY A 34 -9.727 31.786 -15.308 1.00 0.00 N ATOM 531 CA GLY A 34 -9.161 32.936 -15.995 1.00 0.00 C ATOM 532 C GLY A 34 -7.714 33.239 -15.608 1.00 0.00 C ATOM 533 O GLY A 34 -7.222 34.304 -15.978 1.00 0.00 O ATOM 534 HA3 GLY A 34 -9.769 33.810 -15.761 1.00 0.00 H ATOM 535 HA2 GLY A 34 -9.197 32.747 -17.068 1.00 0.00 H ATOM 536 H GLY A 34 -9.169 30.908 -15.326 1.00 0.00 H ATOM 537 N ASP A 35 -7.020 32.354 -14.873 1.00 0.00 N ATOM 538 CA ASP A 35 -5.648 32.657 -14.442 1.00 0.00 C ATOM 539 C ASP A 35 -4.564 32.312 -15.479 1.00 0.00 C ATOM 540 O ASP A 35 -3.627 31.567 -15.198 1.00 0.00 O ATOM 541 CB ASP A 35 -5.374 32.075 -13.047 1.00 0.00 C ATOM 542 CG ASP A 35 -4.188 32.737 -12.342 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.396 33.427 -13.024 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.077 32.515 -11.117 1.00 0.00 O ATOM 545 HA ASP A 35 -5.580 33.742 -14.363 1.00 0.00 H ATOM 546 HB2 ASP A 35 -6.264 32.213 -12.433 1.00 0.00 H ATOM 547 HB3 ASP A 35 -5.166 31.010 -13.150 1.00 0.00 H ATOM 548 H ASP A 35 -7.457 31.448 -14.607 1.00 0.00 H ATOM 549 N TYR A 36 -4.692 32.882 -16.682 1.00 0.00 N ATOM 550 CA TYR A 36 -3.792 32.762 -17.829 1.00 0.00 C ATOM 551 C TYR A 36 -2.325 32.870 -17.435 1.00 0.00 C ATOM 552 O TYR A 36 -1.489 32.098 -17.901 1.00 0.00 O ATOM 553 CB TYR A 36 -4.146 33.825 -18.876 1.00 0.00 C ATOM 554 CG TYR A 36 -5.633 34.037 -19.101 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.452 32.965 -19.502 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.201 35.309 -18.899 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.829 33.162 -19.700 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.577 35.507 -19.098 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.391 34.434 -19.497 1.00 0.00 C ATOM 560 OH TYR A 36 -9.727 34.632 -19.686 1.00 0.00 O ATOM 561 HA TYR A 36 -3.930 31.767 -18.252 1.00 0.00 H ATOM 562 HB3 TYR A 36 -3.700 33.527 -19.825 1.00 0.00 H ATOM 563 HB2 TYR A 36 -3.714 34.773 -18.555 1.00 0.00 H ATOM 564 HD2 TYR A 36 -5.571 36.142 -18.587 1.00 0.00 H ATOM 565 HE2 TYR A 36 -8.014 36.494 -18.943 1.00 0.00 H ATOM 566 HE1 TYR A 36 -8.460 32.330 -20.011 1.00 0.00 H ATOM 567 HD1 TYR A 36 -6.016 31.978 -19.660 1.00 0.00 H ATOM 568 HH TYR A 36 -10.150 33.781 -19.963 1.00 0.00 H ATOM 569 H TYR A 36 -5.531 33.482 -16.818 1.00 0.00 H ATOM 570 N GLU A 37 -2.036 33.834 -16.566 1.00 0.00 N ATOM 571 CA GLU A 37 -0.700 34.104 -16.063 1.00 0.00 C ATOM 572 C GLU A 37 -0.119 32.864 -15.397 1.00 0.00 C ATOM 573 O GLU A 37 1.036 32.505 -15.629 1.00 0.00 O ATOM 574 CB GLU A 37 -0.701 35.330 -15.143 1.00 0.00 C ATOM 575 CG GLU A 37 -1.339 36.559 -15.810 1.00 0.00 C ATOM 576 CD GLU A 37 -0.673 36.894 -17.140 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.421 37.500 -17.104 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.240 36.520 -18.190 1.00 0.00 O ATOM 579 HA GLU A 37 -0.047 34.347 -16.901 1.00 0.00 H ATOM 580 HB2 GLU A 37 -1.262 35.090 -14.240 1.00 0.00 H ATOM 581 HB3 GLU A 37 0.328 35.570 -14.877 1.00 0.00 H ATOM 582 HG2 GLU A 37 -2.395 36.356 -15.986 1.00 0.00 H ATOM 583 HG3 GLU A 37 -1.241 37.414 -15.141 1.00 0.00 H ATOM 584 H GLU A 37 -2.815 34.432 -16.225 1.00 0.00 H ATOM 585 N LYS A 38 -0.945 32.193 -14.596 1.00 0.00 N ATOM 586 CA LYS A 38 -0.544 30.954 -13.946 1.00 0.00 C ATOM 587 C LYS A 38 -0.449 29.843 -14.977 1.00 0.00 C ATOM 588 O LYS A 38 0.413 28.981 -14.846 1.00 0.00 O ATOM 589 CB LYS A 38 -1.473 30.565 -12.787 1.00 0.00 C ATOM 590 CG LYS A 38 -0.923 31.022 -11.430 1.00 0.00 C ATOM 591 CD LYS A 38 0.140 30.021 -10.940 1.00 0.00 C ATOM 592 CE LYS A 38 1.188 30.663 -10.025 1.00 0.00 C ATOM 593 NZ LYS A 38 2.255 31.324 -10.801 1.00 0.00 N ATOM 594 HA LYS A 38 0.438 31.114 -13.501 1.00 0.00 H ATOM 595 HB2 LYS A 38 -2.447 31.028 -12.946 1.00 0.00 H ATOM 596 HB3 LYS A 38 -1.585 29.481 -12.774 1.00 0.00 H ATOM 597 HG2 LYS A 38 -0.472 32.009 -11.535 1.00 0.00 H ATOM 598 HG3 LYS A 38 -1.737 31.071 -10.706 1.00 0.00 H ATOM 599 HD2 LYS A 38 -0.360 29.224 -10.390 1.00 0.00 H ATOM 600 HD3 LYS A 38 0.647 29.600 -11.808 1.00 0.00 H ATOM 601 HE2 LYS A 38 1.633 29.889 -9.399 1.00 0.00 H ATOM 602 HE3 LYS A 38 0.699 31.404 -9.392 1.00 0.00 H ATOM 603 HZ1 LYS A 38 2.730 30.622 -11.403 1.00 0.00 H ATOM 604 HZ2 LYS A 38 1.839 32.068 -11.397 1.00 0.00 H ATOM 605 HZ3 LYS A 38 2.946 31.747 -10.148 1.00 0.00 H ATOM 606 H LYS A 38 -1.902 32.564 -14.431 1.00 0.00 H ATOM 607 N GLY A 39 -1.294 29.861 -16.011 1.00 0.00 N ATOM 608 CA GLY A 39 -1.216 28.863 -17.061 1.00 0.00 C ATOM 609 C GLY A 39 0.127 28.937 -17.761 1.00 0.00 C ATOM 610 O GLY A 39 0.694 27.902 -18.084 1.00 0.00 O ATOM 611 HA3 GLY A 39 -2.010 29.041 -17.786 1.00 0.00 H ATOM 612 HA2 GLY A 39 -1.340 27.872 -16.625 1.00 0.00 H ATOM 613 H GLY A 39 -2.020 30.603 -16.064 1.00 0.00 H ATOM 614 N VAL A 40 0.641 30.149 -17.997 1.00 0.00 N ATOM 615 CA VAL A 40 1.927 30.304 -18.663 1.00 0.00 C ATOM 616 C VAL A 40 3.021 29.647 -17.817 1.00 0.00 C ATOM 617 O VAL A 40 3.816 28.866 -18.329 1.00 0.00 O ATOM 618 CB VAL A 40 2.229 31.791 -18.972 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.677 31.958 -19.443 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.312 32.378 -20.061 1.00 0.00 C ATOM 621 HA VAL A 40 1.895 29.798 -19.628 1.00 0.00 H ATOM 622 HB VAL A 40 2.052 32.328 -18.040 1.00 0.00 H ATOM 623 HG11 VAL A 40 4.354 31.614 -18.661 1.00 0.00 H ATOM 624 HG12 VAL A 40 3.834 31.369 -20.347 1.00 0.00 H ATOM 625 HG13 VAL A 40 3.870 33.010 -19.655 1.00 0.00 H ATOM 626 HG21 VAL A 40 1.441 31.815 -20.985 1.00 0.00 H ATOM 627 HG22 VAL A 40 0.274 32.311 -19.735 1.00 0.00 H ATOM 628 HG23 VAL A 40 1.574 33.422 -20.231 1.00 0.00 H ATOM 629 H VAL A 40 0.114 30.995 -17.700 1.00 0.00 H ATOM 630 N ASP A 41 3.046 29.968 -16.523 1.00 0.00 N ATOM 631 CA ASP A 41 4.021 29.462 -15.558 1.00 0.00 C ATOM 632 C ASP A 41 3.944 27.939 -15.437 1.00 0.00 C ATOM 633 O ASP A 41 4.940 27.233 -15.573 1.00 0.00 O ATOM 634 CB ASP A 41 3.806 30.169 -14.206 1.00 0.00 C ATOM 635 CG ASP A 41 4.542 29.526 -13.036 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.703 29.113 -13.232 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.921 29.501 -11.949 1.00 0.00 O ATOM 638 HA ASP A 41 5.029 29.686 -15.907 1.00 0.00 H ATOM 639 HB2 ASP A 41 4.150 31.199 -14.301 1.00 0.00 H ATOM 640 HB3 ASP A 41 2.739 30.162 -13.983 1.00 0.00 H ATOM 641 H ASP A 41 2.320 30.626 -16.175 1.00 0.00 H ATOM 642 N HIS A 42 2.743 27.435 -15.181 1.00 0.00 N ATOM 643 CA HIS A 42 2.477 26.017 -15.022 1.00 0.00 C ATOM 644 C HIS A 42 2.807 25.277 -16.301 1.00 0.00 C ATOM 645 O HIS A 42 3.362 24.182 -16.252 1.00 0.00 O ATOM 646 CB HIS A 42 1.023 25.764 -14.604 1.00 0.00 C ATOM 647 CG HIS A 42 0.798 25.928 -13.125 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.525 25.218 -12.180 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.068 26.710 -12.403 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.080 25.595 -10.970 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.105 26.505 -11.037 1.00 0.00 N ATOM 652 HA HIS A 42 3.117 25.639 -14.224 1.00 0.00 H ATOM 653 HB2 HIS A 42 0.382 26.469 -15.133 1.00 0.00 H ATOM 654 HB3 HIS A 42 0.753 24.746 -14.886 1.00 0.00 H ATOM 655 HD2 HIS A 42 -0.792 27.398 -12.839 1.00 0.00 H ATOM 656 HE1 HIS A 42 1.473 25.200 -10.033 1.00 0.00 H ATOM 657 H HIS A 42 1.945 28.096 -15.089 1.00 0.00 H ATOM 658 N LEU A 43 2.488 25.864 -17.458 1.00 0.00 N ATOM 659 CA LEU A 43 2.814 25.170 -18.686 1.00 0.00 C ATOM 660 C LEU A 43 4.334 25.155 -18.797 1.00 0.00 C ATOM 661 O LEU A 43 4.900 24.110 -19.093 1.00 0.00 O ATOM 662 CB LEU A 43 2.097 25.746 -19.916 1.00 0.00 C ATOM 663 CG LEU A 43 1.827 24.635 -20.946 1.00 0.00 C ATOM 664 CD1 LEU A 43 0.544 23.854 -20.609 1.00 0.00 C ATOM 665 CD2 LEU A 43 1.637 25.237 -22.341 1.00 0.00 C ATOM 666 HA LEU A 43 2.444 24.145 -18.655 1.00 0.00 H ATOM 667 HB2 LEU A 43 1.150 26.188 -19.606 1.00 0.00 H ATOM 668 HB3 LEU A 43 2.723 26.514 -20.371 1.00 0.00 H ATOM 669 HG LEU A 43 2.687 23.966 -20.921 1.00 0.00 H ATOM 670 HD21 LEU A 43 0.790 25.923 -22.327 1.00 0.00 H ATOM 671 HD22 LEU A 43 2.539 25.777 -22.628 1.00 0.00 H ATOM 672 HD23 LEU A 43 1.447 24.438 -23.057 1.00 0.00 H ATOM 673 HD11 LEU A 43 0.647 23.396 -19.625 1.00 0.00 H ATOM 674 HD12 LEU A 43 -0.305 24.537 -20.606 1.00 0.00 H ATOM 675 HD13 LEU A 43 0.385 23.078 -21.358 1.00 0.00 H ATOM 676 H LEU A 43 2.019 26.792 -17.476 1.00 0.00 H ATOM 677 N THR A 44 5.001 26.284 -18.514 1.00 0.00 N ATOM 678 CA THR A 44 6.462 26.349 -18.554 1.00 0.00 C ATOM 679 C THR A 44 7.070 25.230 -17.689 1.00 0.00 C ATOM 680 O THR A 44 8.084 24.625 -18.039 1.00 0.00 O ATOM 681 CB THR A 44 6.987 27.740 -18.162 1.00 0.00 C ATOM 682 OG1 THR A 44 6.522 28.700 -19.088 1.00 0.00 O ATOM 683 CG2 THR A 44 8.519 27.784 -18.183 1.00 0.00 C ATOM 684 HA THR A 44 6.782 26.186 -19.583 1.00 0.00 H ATOM 685 HB THR A 44 6.629 27.954 -17.155 1.00 0.00 H ATOM 686 HG1 THR A 44 5.532 28.708 -19.084 1.00 0.00 H ATOM 687 HG23 THR A 44 8.912 27.052 -17.477 1.00 0.00 H ATOM 688 HG21 THR A 44 8.874 27.549 -19.186 1.00 0.00 H ATOM 689 HG22 THR A 44 8.856 28.781 -17.901 1.00 0.00 H ATOM 690 H THR A 44 4.464 27.137 -18.259 1.00 0.00 H ATOM 691 N ASN A 45 6.422 24.946 -16.557 1.00 0.00 N ATOM 692 CA ASN A 45 6.855 23.902 -15.634 1.00 0.00 C ATOM 693 C ASN A 45 6.651 22.528 -16.278 1.00 0.00 C ATOM 694 O ASN A 45 7.526 21.660 -16.192 1.00 0.00 O ATOM 695 CB ASN A 45 6.179 24.031 -14.265 1.00 0.00 C ATOM 696 CG ASN A 45 6.899 25.014 -13.346 1.00 0.00 C ATOM 697 OD1 ASN A 45 7.722 24.613 -12.527 1.00 0.00 O ATOM 698 ND2 ASN A 45 6.602 26.305 -13.470 1.00 0.00 N ATOM 699 HA ASN A 45 7.921 24.022 -15.439 1.00 0.00 H ATOM 700 HB2 ASN A 45 5.155 24.375 -14.412 1.00 0.00 H ATOM 701 HB3 ASN A 45 6.167 23.051 -13.788 1.00 0.00 H ATOM 702 HD22 ASN A 45 5.900 26.612 -14.174 1.00 0.00 H ATOM 703 HD21 ASN A 45 7.072 27.007 -12.863 1.00 0.00 H ATOM 704 H ASN A 45 5.570 25.494 -16.322 1.00 0.00 H ATOM 705 N ALA A 46 5.515 22.338 -16.964 1.00 0.00 N ATOM 706 CA ALA A 46 5.234 21.098 -17.666 1.00 0.00 C ATOM 707 C ALA A 46 6.404 20.834 -18.639 1.00 0.00 C ATOM 708 O ALA A 46 6.933 19.723 -18.705 1.00 0.00 O ATOM 709 CB ALA A 46 3.824 21.132 -18.284 1.00 0.00 C ATOM 710 HA ALA A 46 5.191 20.238 -16.998 1.00 0.00 H ATOM 711 HB1 ALA A 46 3.085 21.266 -17.494 1.00 0.00 H ATOM 712 HB2 ALA A 46 3.758 21.960 -18.989 1.00 0.00 H ATOM 713 HB3 ALA A 46 3.634 20.194 -18.805 1.00 0.00 H ATOM 714 H ALA A 46 4.812 23.104 -16.995 1.00 0.00 H ATOM 715 N ILE A 47 6.861 21.872 -19.359 1.00 0.00 N ATOM 716 CA ILE A 47 8.015 21.761 -20.255 1.00 0.00 C ATOM 717 C ILE A 47 9.293 21.438 -19.477 1.00 0.00 C ATOM 718 O ILE A 47 10.154 20.722 -19.982 1.00 0.00 O ATOM 719 CB ILE A 47 8.237 23.026 -21.126 1.00 0.00 C ATOM 720 CG1 ILE A 47 7.175 23.208 -22.238 1.00 0.00 C ATOM 721 CG2 ILE A 47 9.653 23.061 -21.738 1.00 0.00 C ATOM 722 CD1 ILE A 47 5.856 23.753 -21.704 1.00 0.00 C ATOM 723 HA ILE A 47 7.784 20.938 -20.931 1.00 0.00 H ATOM 724 HB ILE A 47 8.127 23.864 -20.438 1.00 0.00 H ATOM 725 HG12 ILE A 47 7.564 23.902 -22.983 1.00 0.00 H ATOM 726 HG13 ILE A 47 6.990 22.241 -22.706 1.00 0.00 H ATOM 727 HD11 ILE A 47 5.452 23.062 -20.964 1.00 0.00 H ATOM 728 HD12 ILE A 47 6.027 24.725 -21.241 1.00 0.00 H ATOM 729 HD13 ILE A 47 5.149 23.860 -22.527 1.00 0.00 H ATOM 730 HG21 ILE A 47 10.393 23.062 -20.938 1.00 0.00 H ATOM 731 HG22 ILE A 47 9.797 22.183 -22.367 1.00 0.00 H ATOM 732 HG23 ILE A 47 9.765 23.963 -22.340 1.00 0.00 H ATOM 733 H ILE A 47 6.377 22.789 -19.277 1.00 0.00 H ATOM 734 N ALA A 48 9.429 21.977 -18.267 1.00 0.00 N ATOM 735 CA ALA A 48 10.613 21.795 -17.437 1.00 0.00 C ATOM 736 C ALA A 48 10.793 20.343 -17.040 1.00 0.00 C ATOM 737 O ALA A 48 11.923 19.899 -16.852 1.00 0.00 O ATOM 738 CB ALA A 48 10.609 22.697 -16.202 1.00 0.00 C ATOM 739 HA ALA A 48 11.465 22.092 -18.049 1.00 0.00 H ATOM 740 HB1 ALA A 48 10.576 23.740 -16.516 1.00 0.00 H ATOM 741 HB2 ALA A 48 9.734 22.472 -15.592 1.00 0.00 H ATOM 742 HB3 ALA A 48 11.514 22.519 -15.621 1.00 0.00 H ATOM 743 H ALA A 48 8.650 22.558 -17.895 1.00 0.00 H ATOM 744 N VAL A 49 9.685 19.606 -16.932 1.00 0.00 N ATOM 745 CA VAL A 49 9.746 18.204 -16.568 1.00 0.00 C ATOM 746 C VAL A 49 9.645 17.311 -17.801 1.00 0.00 C ATOM 747 O VAL A 49 10.016 16.142 -17.725 1.00 0.00 O ATOM 748 CB VAL A 49 8.668 17.888 -15.531 1.00 0.00 C ATOM 749 CG1 VAL A 49 8.790 18.860 -14.355 1.00 0.00 C ATOM 750 CG2 VAL A 49 7.237 17.919 -16.071 1.00 0.00 C ATOM 751 HA VAL A 49 10.715 17.995 -16.114 1.00 0.00 H ATOM 752 HB VAL A 49 8.848 16.860 -15.217 1.00 0.00 H ATOM 753 HG11 VAL A 49 9.775 18.755 -13.900 1.00 0.00 H ATOM 754 HG12 VAL A 49 8.661 19.881 -14.714 1.00 0.00 H ATOM 755 HG13 VAL A 49 8.021 18.633 -13.617 1.00 0.00 H ATOM 756 HG21 VAL A 49 7.019 18.913 -16.462 1.00 0.00 H ATOM 757 HG22 VAL A 49 7.135 17.183 -16.869 1.00 0.00 H ATOM 758 HG23 VAL A 49 6.541 17.683 -15.266 1.00 0.00 H ATOM 759 H VAL A 49 8.760 20.046 -17.112 1.00 0.00 H ATOM 760 N CYS A 50 9.164 17.842 -18.934 1.00 0.00 N ATOM 761 CA CYS A 50 9.059 17.050 -20.155 1.00 0.00 C ATOM 762 C CYS A 50 10.380 17.075 -20.925 1.00 0.00 C ATOM 763 O CYS A 50 10.899 16.025 -21.298 1.00 0.00 O ATOM 764 CB CYS A 50 7.879 17.537 -20.989 1.00 0.00 C ATOM 765 SG CYS A 50 7.846 16.694 -22.589 1.00 0.00 S ATOM 766 HA CYS A 50 8.867 16.007 -19.901 1.00 0.00 H ATOM 767 HB2 CYS A 50 7.972 18.611 -21.151 1.00 0.00 H ATOM 768 HB3 CYS A 50 6.952 17.330 -20.455 1.00 0.00 H ATOM 769 HG CYS A 50 6.772 17.150 -23.325 1.00 0.00 H ATOM 770 H CYS A 50 8.860 18.837 -18.943 1.00 0.00 H ATOM 771 N GLY A 51 10.928 18.271 -21.168 1.00 0.00 N ATOM 772 CA GLY A 51 12.185 18.444 -21.886 1.00 0.00 C ATOM 773 C GLY A 51 12.026 18.338 -23.406 1.00 0.00 C ATOM 774 O GLY A 51 13.019 18.377 -24.129 1.00 0.00 O ATOM 775 HA3 GLY A 51 12.883 17.675 -21.555 1.00 0.00 H ATOM 776 HA2 GLY A 51 12.590 19.427 -21.647 1.00 0.00 H ATOM 777 H GLY A 51 10.433 19.120 -20.828 1.00 0.00 H ATOM 778 N GLN A 52 10.786 18.218 -23.890 1.00 0.00 N ATOM 779 CA GLN A 52 10.442 18.125 -25.304 1.00 0.00 C ATOM 780 C GLN A 52 9.305 19.124 -25.534 1.00 0.00 C ATOM 781 O GLN A 52 8.182 18.713 -25.833 1.00 0.00 O ATOM 782 CB GLN A 52 10.071 16.670 -25.636 1.00 0.00 C ATOM 783 CG GLN A 52 9.999 16.424 -27.149 1.00 0.00 C ATOM 784 CD GLN A 52 11.360 16.526 -27.833 1.00 0.00 C ATOM 785 OE1 GLN A 52 11.595 17.446 -28.611 1.00 0.00 O ATOM 786 NE2 GLN A 52 12.261 15.588 -27.545 1.00 0.00 N ATOM 787 HA GLN A 52 11.267 18.378 -25.970 1.00 0.00 H ATOM 788 HB2 GLN A 52 10.824 16.008 -25.207 1.00 0.00 H ATOM 789 HB3 GLN A 52 9.099 16.446 -25.196 1.00 0.00 H ATOM 790 HG2 GLN A 52 9.597 15.425 -27.321 1.00 0.00 H ATOM 791 HG3 GLN A 52 9.331 17.164 -27.591 1.00 0.00 H ATOM 792 HE22 GLN A 52 12.023 14.825 -26.880 1.00 0.00 H ATOM 793 HE21 GLN A 52 13.203 15.619 -27.985 1.00 0.00 H ATOM 794 H GLN A 52 10.005 18.189 -23.204 1.00 0.00 H ATOM 795 N PRO A 53 9.565 20.439 -25.383 1.00 0.00 N ATOM 796 CA PRO A 53 8.543 21.454 -25.552 1.00 0.00 C ATOM 797 C PRO A 53 7.803 21.350 -26.874 1.00 0.00 C ATOM 798 O PRO A 53 6.583 21.302 -26.883 1.00 0.00 O ATOM 799 CB PRO A 53 9.246 22.812 -25.432 1.00 0.00 C ATOM 800 CG PRO A 53 10.727 22.493 -25.616 1.00 0.00 C ATOM 801 CD PRO A 53 10.826 21.088 -25.031 1.00 0.00 C ATOM 802 HA PRO A 53 7.778 21.322 -24.787 1.00 0.00 H ATOM 803 HD3 PRO A 53 11.668 20.550 -25.467 1.00 0.00 H ATOM 804 HD2 PRO A 53 10.945 21.131 -23.948 1.00 0.00 H ATOM 805 HG3 PRO A 53 11.355 23.195 -25.068 1.00 0.00 H ATOM 806 HG2 PRO A 53 11.007 22.504 -26.669 1.00 0.00 H ATOM 807 HB2 PRO A 53 8.900 23.495 -26.207 1.00 0.00 H ATOM 808 HB3 PRO A 53 9.066 23.254 -24.452 1.00 0.00 H ATOM 809 N GLN A 54 8.548 21.340 -27.977 1.00 0.00 N ATOM 810 CA GLN A 54 8.015 21.322 -29.334 1.00 0.00 C ATOM 811 C GLN A 54 7.012 20.197 -29.571 1.00 0.00 C ATOM 812 O GLN A 54 5.997 20.420 -30.232 1.00 0.00 O ATOM 813 CB GLN A 54 9.160 21.303 -30.361 1.00 0.00 C ATOM 814 CG GLN A 54 10.168 22.464 -30.219 1.00 0.00 C ATOM 815 CD GLN A 54 11.123 22.532 -31.412 1.00 0.00 C ATOM 816 OE1 GLN A 54 11.338 21.541 -32.104 1.00 0.00 O ATOM 817 NE2 GLN A 54 11.701 23.707 -31.662 1.00 0.00 N ATOM 818 HA GLN A 54 7.449 22.244 -29.469 1.00 0.00 H ATOM 819 HB2 GLN A 54 9.703 20.365 -30.248 1.00 0.00 H ATOM 820 HB3 GLN A 54 8.724 21.351 -31.359 1.00 0.00 H ATOM 821 HG2 GLN A 54 9.619 23.403 -30.152 1.00 0.00 H ATOM 822 HG3 GLN A 54 10.749 22.318 -29.308 1.00 0.00 H ATOM 823 HE22 GLN A 54 11.497 24.527 -31.055 1.00 0.00 H ATOM 824 HE21 GLN A 54 12.356 23.804 -32.464 1.00 0.00 H ATOM 825 H GLN A 54 9.582 21.345 -27.863 1.00 0.00 H ATOM 826 N GLN A 55 7.263 18.999 -29.032 1.00 0.00 N ATOM 827 CA GLN A 55 6.314 17.903 -29.192 1.00 0.00 C ATOM 828 C GLN A 55 5.007 18.303 -28.524 1.00 0.00 C ATOM 829 O GLN A 55 3.934 18.194 -29.116 1.00 0.00 O ATOM 830 CB GLN A 55 6.864 16.582 -28.629 1.00 0.00 C ATOM 831 CG GLN A 55 5.891 15.406 -28.805 1.00 0.00 C ATOM 832 CD GLN A 55 5.614 15.099 -30.274 1.00 0.00 C ATOM 833 OE1 GLN A 55 4.537 15.395 -30.784 1.00 0.00 O ATOM 834 NE2 GLN A 55 6.587 14.504 -30.963 1.00 0.00 N ATOM 835 HA GLN A 55 6.141 17.723 -30.253 1.00 0.00 H ATOM 836 HB2 GLN A 55 7.794 16.344 -29.145 1.00 0.00 H ATOM 837 HB3 GLN A 55 7.063 16.713 -27.565 1.00 0.00 H ATOM 838 HG2 GLN A 55 6.322 14.521 -28.337 1.00 0.00 H ATOM 839 HG3 GLN A 55 4.949 15.653 -28.315 1.00 0.00 H ATOM 840 HE22 GLN A 55 7.486 14.269 -30.496 1.00 0.00 H ATOM 841 HE21 GLN A 55 6.447 14.275 -31.968 1.00 0.00 H ATOM 842 H GLN A 55 8.141 18.848 -28.495 1.00 0.00 H ATOM 843 N LEU A 56 5.112 18.786 -27.286 1.00 0.00 N ATOM 844 CA LEU A 56 3.947 19.215 -26.547 1.00 0.00 C ATOM 845 C LEU A 56 3.261 20.391 -27.251 1.00 0.00 C ATOM 846 O LEU A 56 2.040 20.449 -27.284 1.00 0.00 O ATOM 847 CB LEU A 56 4.284 19.511 -25.075 1.00 0.00 C ATOM 848 CG LEU A 56 3.033 19.769 -24.215 1.00 0.00 C ATOM 849 CD1 LEU A 56 2.170 18.505 -24.007 1.00 0.00 C ATOM 850 CD2 LEU A 56 3.489 20.351 -22.875 1.00 0.00 C ATOM 851 HA LEU A 56 3.231 18.394 -26.529 1.00 0.00 H ATOM 852 HB2 LEU A 56 4.820 18.657 -24.662 1.00 0.00 H ATOM 853 HB3 LEU A 56 4.922 20.393 -25.035 1.00 0.00 H ATOM 854 HG LEU A 56 2.390 20.475 -24.741 1.00 0.00 H ATOM 855 HD21 LEU A 56 4.148 19.640 -22.377 1.00 0.00 H ATOM 856 HD22 LEU A 56 4.025 21.284 -23.049 1.00 0.00 H ATOM 857 HD23 LEU A 56 2.618 20.542 -22.248 1.00 0.00 H ATOM 858 HD11 LEU A 56 1.835 18.132 -24.975 1.00 0.00 H ATOM 859 HD12 LEU A 56 2.763 17.740 -23.507 1.00 0.00 H ATOM 860 HD13 LEU A 56 1.305 18.754 -23.393 1.00 0.00 H ATOM 861 H LEU A 56 6.051 18.855 -26.844 1.00 0.00 H ATOM 862 N LEU A 57 4.006 21.333 -27.833 1.00 0.00 N ATOM 863 CA LEU A 57 3.381 22.462 -28.515 1.00 0.00 C ATOM 864 C LEU A 57 2.533 21.981 -29.693 1.00 0.00 C ATOM 865 O LEU A 57 1.431 22.488 -29.904 1.00 0.00 O ATOM 866 CB LEU A 57 4.403 23.533 -28.934 1.00 0.00 C ATOM 867 CG LEU A 57 5.220 24.193 -27.800 1.00 0.00 C ATOM 868 CD1 LEU A 57 6.090 25.301 -28.405 1.00 0.00 C ATOM 869 CD2 LEU A 57 4.373 24.696 -26.619 1.00 0.00 C ATOM 870 HA LEU A 57 2.715 22.948 -27.802 1.00 0.00 H ATOM 871 HB2 LEU A 57 5.108 23.066 -29.621 1.00 0.00 H ATOM 872 HB3 LEU A 57 3.860 24.323 -29.453 1.00 0.00 H ATOM 873 HG LEU A 57 5.852 23.424 -27.355 1.00 0.00 H ATOM 874 HD21 LEU A 57 3.661 25.441 -26.975 1.00 0.00 H ATOM 875 HD22 LEU A 57 3.833 23.858 -26.178 1.00 0.00 H ATOM 876 HD23 LEU A 57 5.026 25.144 -25.870 1.00 0.00 H ATOM 877 HD11 LEU A 57 6.763 24.869 -29.145 1.00 0.00 H ATOM 878 HD12 LEU A 57 5.451 26.043 -28.883 1.00 0.00 H ATOM 879 HD13 LEU A 57 6.672 25.776 -27.615 1.00 0.00 H ATOM 880 H LEU A 57 5.043 21.262 -27.800 1.00 0.00 H ATOM 881 N GLN A 58 3.014 20.985 -30.442 1.00 0.00 N ATOM 882 CA GLN A 58 2.250 20.429 -31.549 1.00 0.00 C ATOM 883 C GLN A 58 0.993 19.756 -30.994 1.00 0.00 C ATOM 884 O GLN A 58 -0.089 19.874 -31.571 1.00 0.00 O ATOM 885 CB GLN A 58 3.122 19.445 -32.338 1.00 0.00 C ATOM 886 CG GLN A 58 4.209 20.187 -33.126 1.00 0.00 C ATOM 887 CD GLN A 58 5.295 19.232 -33.609 1.00 0.00 C ATOM 888 OE1 GLN A 58 5.253 18.750 -34.737 1.00 0.00 O ATOM 889 NE2 GLN A 58 6.277 18.959 -32.751 1.00 0.00 N ATOM 890 HA GLN A 58 1.943 21.218 -32.236 1.00 0.00 H ATOM 891 HB2 GLN A 58 3.595 18.751 -31.643 1.00 0.00 H ATOM 892 HB3 GLN A 58 2.493 18.889 -33.034 1.00 0.00 H ATOM 893 HG2 GLN A 58 3.753 20.672 -33.989 1.00 0.00 H ATOM 894 HG3 GLN A 58 4.661 20.942 -32.483 1.00 0.00 H ATOM 895 HE22 GLN A 58 6.275 19.389 -31.804 1.00 0.00 H ATOM 896 HE21 GLN A 58 7.046 18.316 -33.028 1.00 0.00 H ATOM 897 H GLN A 58 3.956 20.598 -30.229 1.00 0.00 H ATOM 898 N VAL A 59 1.137 19.058 -29.864 1.00 0.00 N ATOM 899 CA VAL A 59 0.041 18.365 -29.200 1.00 0.00 C ATOM 900 C VAL A 59 -1.006 19.341 -28.655 1.00 0.00 C ATOM 901 O VAL A 59 -2.198 19.042 -28.670 1.00 0.00 O ATOM 902 CB VAL A 59 0.580 17.352 -28.173 1.00 0.00 C ATOM 903 CG1 VAL A 59 0.405 17.686 -26.684 1.00 0.00 C ATOM 904 CG2 VAL A 59 -0.046 16.004 -28.405 1.00 0.00 C ATOM 905 HA VAL A 59 -0.503 17.774 -29.937 1.00 0.00 H ATOM 906 HB VAL A 59 1.655 17.377 -28.354 1.00 0.00 H ATOM 907 HG11 VAL A 59 0.917 18.622 -26.460 1.00 0.00 H ATOM 908 HG12 VAL A 59 -0.656 17.788 -26.458 1.00 0.00 H ATOM 909 HG13 VAL A 59 0.831 16.884 -26.081 1.00 0.00 H ATOM 910 HG21 VAL A 59 -1.128 16.084 -28.298 1.00 0.00 H ATOM 911 HG22 VAL A 59 0.196 15.660 -29.411 1.00 0.00 H ATOM 912 HG23 VAL A 59 0.341 15.294 -27.674 1.00 0.00 H ATOM 913 H VAL A 59 2.083 19.007 -29.435 1.00 0.00 H ATOM 914 N LEU A 60 -0.568 20.521 -28.210 1.00 0.00 N ATOM 915 CA LEU A 60 -1.445 21.557 -27.679 1.00 0.00 C ATOM 916 C LEU A 60 -2.117 22.301 -28.830 1.00 0.00 C ATOM 917 O LEU A 60 -3.244 22.755 -28.663 1.00 0.00 O ATOM 918 CB LEU A 60 -0.612 22.594 -26.899 1.00 0.00 C ATOM 919 CG LEU A 60 -0.376 22.381 -25.393 1.00 0.00 C ATOM 920 CD1 LEU A 60 -1.462 23.067 -24.550 1.00 0.00 C ATOM 921 CD2 LEU A 60 -0.336 20.923 -24.934 1.00 0.00 C ATOM 922 HA LEU A 60 -2.185 21.084 -27.033 1.00 0.00 H ATOM 923 HB2 LEU A 60 0.368 22.638 -27.373 1.00 0.00 H ATOM 924 HB3 LEU A 60 -1.112 23.556 -27.011 1.00 0.00 H ATOM 925 HG LEU A 60 0.611 22.817 -25.240 1.00 0.00 H ATOM 926 HD21 LEU A 60 -1.286 20.443 -25.168 1.00 0.00 H ATOM 927 HD22 LEU A 60 0.472 20.403 -25.449 1.00 0.00 H ATOM 928 HD23 LEU A 60 -0.165 20.887 -23.858 1.00 0.00 H ATOM 929 HD11 LEU A 60 -1.455 24.138 -24.753 1.00 0.00 H ATOM 930 HD12 LEU A 60 -2.437 22.653 -24.809 1.00 0.00 H ATOM 931 HD13 LEU A 60 -1.262 22.895 -23.492 1.00 0.00 H ATOM 932 H LEU A 60 0.454 20.711 -28.244 1.00 0.00 H ATOM 933 N GLN A 61 -1.455 22.441 -29.983 1.00 0.00 N ATOM 934 CA GLN A 61 -2.030 23.166 -31.111 1.00 0.00 C ATOM 935 C GLN A 61 -3.105 22.344 -31.825 1.00 0.00 C ATOM 936 O GLN A 61 -3.997 22.913 -32.451 1.00 0.00 O ATOM 937 CB GLN A 61 -0.908 23.599 -32.080 1.00 0.00 C ATOM 938 CG GLN A 61 -1.402 24.203 -33.409 1.00 0.00 C ATOM 939 CD GLN A 61 -0.275 24.855 -34.209 1.00 0.00 C ATOM 940 OE1 GLN A 61 0.903 24.659 -33.924 1.00 0.00 O ATOM 941 NE2 GLN A 61 -0.635 25.635 -35.227 1.00 0.00 N ATOM 942 HA GLN A 61 -2.525 24.059 -30.731 1.00 0.00 H ATOM 943 HB2 GLN A 61 -0.293 24.344 -31.576 1.00 0.00 H ATOM 944 HB3 GLN A 61 -0.301 22.723 -32.310 1.00 0.00 H ATOM 945 HG2 GLN A 61 -1.845 23.409 -34.011 1.00 0.00 H ATOM 946 HG3 GLN A 61 -2.158 24.957 -33.191 1.00 0.00 H ATOM 947 HE22 GLN A 61 -1.643 25.779 -35.441 1.00 0.00 H ATOM 948 HE21 GLN A 61 0.091 26.100 -35.808 1.00 0.00 H ATOM 949 H GLN A 61 -0.507 22.023 -30.078 1.00 0.00 H ATOM 950 N GLN A 62 -3.006 21.012 -31.752 1.00 0.00 N ATOM 951 CA GLN A 62 -3.908 20.092 -32.429 1.00 0.00 C ATOM 952 C GLN A 62 -5.065 19.616 -31.553 1.00 0.00 C ATOM 953 O GLN A 62 -6.101 19.227 -32.088 1.00 0.00 O ATOM 954 CB GLN A 62 -3.089 18.927 -32.998 1.00 0.00 C ATOM 955 CG GLN A 62 -2.842 17.808 -31.980 1.00 0.00 C ATOM 956 CD GLN A 62 -1.820 16.796 -32.485 1.00 0.00 C ATOM 957 OE1 GLN A 62 -2.140 15.628 -32.683 1.00 0.00 O ATOM 958 NE2 GLN A 62 -0.581 17.241 -32.691 1.00 0.00 N ATOM 959 HA GLN A 62 -4.392 20.629 -33.245 1.00 0.00 H ATOM 960 HB2 GLN A 62 -3.626 18.509 -33.849 1.00 0.00 H ATOM 961 HB3 GLN A 62 -2.125 19.311 -33.331 1.00 0.00 H ATOM 962 HG2 GLN A 62 -2.474 18.249 -31.054 1.00 0.00 H ATOM 963 HG3 GLN A 62 -3.783 17.293 -31.787 1.00 0.00 H ATOM 964 HE22 GLN A 62 -0.350 18.239 -32.511 1.00 0.00 H ATOM 965 HE21 GLN A 62 0.155 16.590 -33.032 1.00 0.00 H ATOM 966 H GLN A 62 -2.238 20.610 -31.177 1.00 0.00 H ATOM 967 N THR A 63 -4.907 19.637 -30.223 1.00 0.00 N ATOM 968 CA THR A 63 -5.964 19.174 -29.333 1.00 0.00 C ATOM 969 C THR A 63 -7.040 20.248 -29.170 1.00 0.00 C ATOM 970 O THR A 63 -8.220 19.917 -29.064 1.00 0.00 O ATOM 971 CB THR A 63 -5.388 18.609 -28.030 1.00 0.00 C ATOM 972 OG1 THR A 63 -6.403 17.915 -27.329 1.00 0.00 O ATOM 973 CG2 THR A 63 -4.743 19.651 -27.121 1.00 0.00 C ATOM 974 HA THR A 63 -6.481 18.327 -29.783 1.00 0.00 H ATOM 975 HB THR A 63 -4.582 17.934 -28.320 1.00 0.00 H ATOM 976 HG1 THR A 63 -6.031 17.550 -26.487 1.00 0.00 H ATOM 977 HG23 THR A 63 -3.964 20.179 -27.671 1.00 0.00 H ATOM 978 HG21 THR A 63 -5.501 20.361 -26.790 1.00 0.00 H ATOM 979 HG22 THR A 63 -4.306 19.155 -26.255 1.00 0.00 H ATOM 980 H THR A 63 -4.016 19.989 -29.819 1.00 0.00 H ATOM 981 N LEU A 64 -6.645 21.526 -29.197 1.00 0.00 N ATOM 982 CA LEU A 64 -7.567 22.662 -29.126 1.00 0.00 C ATOM 983 C LEU A 64 -6.813 23.952 -29.456 1.00 0.00 C ATOM 984 O LEU A 64 -5.635 24.032 -29.128 1.00 0.00 O ATOM 985 CB LEU A 64 -8.307 22.752 -27.769 1.00 0.00 C ATOM 986 CG LEU A 64 -7.590 23.504 -26.631 1.00 0.00 C ATOM 987 CD1 LEU A 64 -8.571 23.702 -25.468 1.00 0.00 C ATOM 988 CD2 LEU A 64 -6.368 22.742 -26.113 1.00 0.00 C ATOM 989 HA LEU A 64 -8.349 22.509 -29.870 1.00 0.00 H ATOM 990 HB2 LEU A 64 -9.259 23.252 -27.946 1.00 0.00 H ATOM 991 HB3 LEU A 64 -8.491 21.734 -27.426 1.00 0.00 H ATOM 992 HG LEU A 64 -7.249 24.459 -27.030 1.00 0.00 H ATOM 993 HD21 LEU A 64 -6.682 21.770 -25.732 1.00 0.00 H ATOM 994 HD22 LEU A 64 -5.657 22.602 -26.927 1.00 0.00 H ATOM 995 HD23 LEU A 64 -5.898 23.313 -25.312 1.00 0.00 H ATOM 996 HD11 LEU A 64 -9.427 24.283 -25.811 1.00 0.00 H ATOM 997 HD12 LEU A 64 -8.910 22.730 -25.111 1.00 0.00 H ATOM 998 HD13 LEU A 64 -8.071 24.234 -24.659 1.00 0.00 H ATOM 999 H LEU A 64 -5.627 21.724 -29.273 1.00 0.00 H ATOM 1000 N PRO A 65 -7.439 24.967 -30.080 1.00 0.00 N ATOM 1001 CA PRO A 65 -6.778 26.231 -30.391 1.00 0.00 C ATOM 1002 C PRO A 65 -6.414 26.916 -29.063 1.00 0.00 C ATOM 1003 O PRO A 65 -7.322 27.295 -28.326 1.00 0.00 O ATOM 1004 CB PRO A 65 -7.797 27.036 -31.206 1.00 0.00 C ATOM 1005 CG PRO A 65 -9.148 26.459 -30.785 1.00 0.00 C ATOM 1006 CD PRO A 65 -8.826 24.990 -30.514 1.00 0.00 C ATOM 1007 HA PRO A 65 -5.856 26.121 -30.962 1.00 0.00 H ATOM 1008 HD3 PRO A 65 -9.476 24.596 -29.733 1.00 0.00 H ATOM 1009 HD2 PRO A 65 -8.951 24.399 -31.421 1.00 0.00 H ATOM 1010 HG3 PRO A 65 -9.883 26.558 -31.584 1.00 0.00 H ATOM 1011 HG2 PRO A 65 -9.521 26.951 -29.887 1.00 0.00 H ATOM 1012 HB2 PRO A 65 -7.736 28.097 -30.963 1.00 0.00 H ATOM 1013 HB3 PRO A 65 -7.633 26.899 -32.275 1.00 0.00 H ATOM 1014 N PRO A 66 -5.122 27.056 -28.714 1.00 0.00 N ATOM 1015 CA PRO A 66 -4.692 27.619 -27.445 1.00 0.00 C ATOM 1016 C PRO A 66 -4.357 29.120 -27.519 1.00 0.00 C ATOM 1017 O PRO A 66 -3.303 29.483 -28.039 1.00 0.00 O ATOM 1018 CB PRO A 66 -3.460 26.776 -27.113 1.00 0.00 C ATOM 1019 CG PRO A 66 -2.801 26.533 -28.475 1.00 0.00 C ATOM 1020 CD PRO A 66 -3.956 26.624 -29.476 1.00 0.00 C ATOM 1021 HA PRO A 66 -5.475 27.580 -26.687 1.00 0.00 H ATOM 1022 HD3 PRO A 66 -3.724 27.349 -30.256 1.00 0.00 H ATOM 1023 HD2 PRO A 66 -4.140 25.650 -29.930 1.00 0.00 H ATOM 1024 HG3 PRO A 66 -2.337 25.547 -28.509 1.00 0.00 H ATOM 1025 HG2 PRO A 66 -2.049 27.295 -28.682 1.00 0.00 H ATOM 1026 HB2 PRO A 66 -2.787 27.317 -26.448 1.00 0.00 H ATOM 1027 HB3 PRO A 66 -3.749 25.833 -26.648 1.00 0.00 H ATOM 1028 N PRO A 67 -5.202 30.024 -26.987 1.00 0.00 N ATOM 1029 CA PRO A 67 -4.906 31.451 -26.977 1.00 0.00 C ATOM 1030 C PRO A 67 -3.825 31.741 -25.925 1.00 0.00 C ATOM 1031 O PRO A 67 -2.960 32.589 -26.127 1.00 0.00 O ATOM 1032 CB PRO A 67 -6.231 32.135 -26.637 1.00 0.00 C ATOM 1033 CG PRO A 67 -6.951 31.105 -25.766 1.00 0.00 C ATOM 1034 CD PRO A 67 -6.480 29.765 -26.337 1.00 0.00 C ATOM 1035 HA PRO A 67 -4.519 31.814 -27.929 1.00 0.00 H ATOM 1036 HD3 PRO A 67 -6.356 29.036 -25.536 1.00 0.00 H ATOM 1037 HD2 PRO A 67 -7.202 29.388 -27.061 1.00 0.00 H ATOM 1038 HG3 PRO A 67 -8.033 31.208 -25.853 1.00 0.00 H ATOM 1039 HG2 PRO A 67 -6.661 31.207 -24.720 1.00 0.00 H ATOM 1040 HB2 PRO A 67 -6.062 33.061 -26.087 1.00 0.00 H ATOM 1041 HB3 PRO A 67 -6.802 32.349 -27.540 1.00 0.00 H ATOM 1042 N VAL A 68 -3.879 31.015 -24.801 1.00 0.00 N ATOM 1043 CA VAL A 68 -2.946 31.115 -23.686 1.00 0.00 C ATOM 1044 C VAL A 68 -1.528 30.879 -24.180 1.00 0.00 C ATOM 1045 O VAL A 68 -0.633 31.649 -23.858 1.00 0.00 O ATOM 1046 CB VAL A 68 -3.322 30.129 -22.573 1.00 0.00 C ATOM 1047 CG1 VAL A 68 -2.161 29.993 -21.584 1.00 0.00 C ATOM 1048 CG2 VAL A 68 -4.579 30.653 -21.871 1.00 0.00 C ATOM 1049 HA VAL A 68 -3.001 32.119 -23.264 1.00 0.00 H ATOM 1050 HB VAL A 68 -3.523 29.142 -22.990 1.00 0.00 H ATOM 1051 HG11 VAL A 68 -1.279 29.625 -22.109 1.00 0.00 H ATOM 1052 HG12 VAL A 68 -1.944 30.967 -21.145 1.00 0.00 H ATOM 1053 HG13 VAL A 68 -2.436 29.291 -20.797 1.00 0.00 H ATOM 1054 HG21 VAL A 68 -4.374 31.636 -21.447 1.00 0.00 H ATOM 1055 HG22 VAL A 68 -5.392 30.730 -22.593 1.00 0.00 H ATOM 1056 HG23 VAL A 68 -4.863 29.965 -21.075 1.00 0.00 H ATOM 1057 H VAL A 68 -4.650 30.323 -24.717 1.00 0.00 H ATOM 1058 N PHE A 69 -1.338 29.823 -24.972 1.00 0.00 N ATOM 1059 CA PHE A 69 -0.059 29.485 -25.589 1.00 0.00 C ATOM 1060 C PHE A 69 0.569 30.736 -26.207 1.00 0.00 C ATOM 1061 O PHE A 69 1.749 31.001 -26.004 1.00 0.00 O ATOM 1062 CB PHE A 69 -0.298 28.403 -26.643 1.00 0.00 C ATOM 1063 CG PHE A 69 0.766 28.292 -27.710 1.00 0.00 C ATOM 1064 CD1 PHE A 69 2.031 27.777 -27.389 1.00 0.00 C ATOM 1065 CD2 PHE A 69 0.489 28.711 -29.024 1.00 0.00 C ATOM 1066 CE1 PHE A 69 3.015 27.681 -28.384 1.00 0.00 C ATOM 1067 CE2 PHE A 69 1.475 28.613 -30.019 1.00 0.00 C ATOM 1068 CZ PHE A 69 2.741 28.096 -29.698 1.00 0.00 C ATOM 1069 HA PHE A 69 0.636 29.104 -24.840 1.00 0.00 H ATOM 1070 HB2 PHE A 69 -0.363 27.443 -26.131 1.00 0.00 H ATOM 1071 HB3 PHE A 69 -1.247 28.616 -27.135 1.00 0.00 H ATOM 1072 HD2 PHE A 69 -0.494 29.113 -29.270 1.00 0.00 H ATOM 1073 HE2 PHE A 69 1.259 28.937 -31.037 1.00 0.00 H ATOM 1074 HZ PHE A 69 3.509 28.017 -30.467 1.00 0.00 H ATOM 1075 HE1 PHE A 69 3.999 27.282 -28.136 1.00 0.00 H ATOM 1076 HD1 PHE A 69 2.248 27.453 -26.371 1.00 0.00 H ATOM 1077 H PHE A 69 -2.151 29.202 -25.162 1.00 0.00 H ATOM 1078 N GLN A 70 -0.232 31.511 -26.939 1.00 0.00 N ATOM 1079 CA GLN A 70 0.214 32.742 -27.585 1.00 0.00 C ATOM 1080 C GLN A 70 0.745 33.746 -26.557 1.00 0.00 C ATOM 1081 O GLN A 70 1.704 34.469 -26.817 1.00 0.00 O ATOM 1082 CB GLN A 70 -0.926 33.350 -28.420 1.00 0.00 C ATOM 1083 CG GLN A 70 -0.475 33.598 -29.863 1.00 0.00 C ATOM 1084 CD GLN A 70 -0.196 32.294 -30.609 1.00 0.00 C ATOM 1085 OE1 GLN A 70 0.900 32.087 -31.120 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -1.185 31.402 -30.672 1.00 0.00 N ATOM 1087 HA GLN A 70 1.037 32.498 -28.256 1.00 0.00 H ATOM 1088 HB2 GLN A 70 -1.772 32.663 -28.423 1.00 0.00 H ATOM 1089 HB3 GLN A 70 -1.230 34.297 -27.973 1.00 0.00 H ATOM 1090 HG2 GLN A 70 -1.259 34.143 -30.388 1.00 0.00 H ATOM 1091 HG3 GLN A 70 0.435 34.197 -29.849 1.00 0.00 H ATOM 1092 HE22 GLN A 70 -2.102 31.610 -30.228 1.00 0.00 H ATOM 1093 HE21 GLN A 70 -1.039 30.498 -31.166 1.00 0.00 H ATOM 1094 H GLN A 70 -1.225 31.224 -27.056 1.00 0.00 H ATOM 1095 N MET A 71 0.124 33.773 -25.377 1.00 0.00 N ATOM 1096 CA MET A 71 0.507 34.625 -24.269 1.00 0.00 C ATOM 1097 C MET A 71 1.763 34.043 -23.625 1.00 0.00 C ATOM 1098 O MET A 71 2.619 34.798 -23.184 1.00 0.00 O ATOM 1099 CB MET A 71 -0.646 34.828 -23.275 1.00 0.00 C ATOM 1100 CG MET A 71 -1.941 35.304 -23.959 1.00 0.00 C ATOM 1101 SD MET A 71 -2.884 36.545 -23.034 1.00 0.00 S ATOM 1102 CE MET A 71 -3.307 35.584 -21.566 1.00 0.00 C ATOM 1103 HA MET A 71 0.737 35.626 -24.633 1.00 0.00 H ATOM 1104 HB2 MET A 71 -0.844 33.882 -22.772 1.00 0.00 H ATOM 1105 HB3 MET A 71 -0.345 35.573 -22.539 1.00 0.00 H ATOM 1106 HG2 MET A 71 -2.582 34.436 -24.111 1.00 0.00 H ATOM 1107 HG3 MET A 71 -1.676 35.732 -24.926 1.00 0.00 H ATOM 1108 HE1 MET A 71 -3.890 34.712 -21.860 1.00 0.00 H ATOM 1109 HE2 MET A 71 -2.392 35.260 -21.069 1.00 0.00 H ATOM 1110 HE3 MET A 71 -3.893 36.202 -20.885 1.00 0.00 H ATOM 1111 H MET A 71 -0.690 33.140 -25.243 1.00 0.00 H ATOM 1112 N LEU A 72 1.920 32.713 -23.601 1.00 0.00 N ATOM 1113 CA LEU A 72 3.124 32.083 -23.089 1.00 0.00 C ATOM 1114 C LEU A 72 4.281 32.585 -23.956 1.00 0.00 C ATOM 1115 O LEU A 72 5.338 32.960 -23.450 1.00 0.00 O ATOM 1116 CB LEU A 72 2.953 30.548 -23.022 1.00 0.00 C ATOM 1117 CG LEU A 72 4.201 29.719 -23.343 1.00 0.00 C ATOM 1118 CD1 LEU A 72 5.270 29.826 -22.248 1.00 0.00 C ATOM 1119 CD2 LEU A 72 3.811 28.244 -23.475 1.00 0.00 C ATOM 1120 HA LEU A 72 3.341 32.356 -22.056 1.00 0.00 H ATOM 1121 HB2 LEU A 72 2.632 30.292 -22.012 1.00 0.00 H ATOM 1122 HB3 LEU A 72 2.174 30.268 -23.731 1.00 0.00 H ATOM 1123 HG LEU A 72 4.614 30.110 -24.273 1.00 0.00 H ATOM 1124 HD21 LEU A 72 3.375 27.899 -22.537 1.00 0.00 H ATOM 1125 HD22 LEU A 72 3.082 28.133 -24.278 1.00 0.00 H ATOM 1126 HD23 LEU A 72 4.699 27.654 -23.703 1.00 0.00 H ATOM 1127 HD11 LEU A 72 5.575 30.867 -22.140 1.00 0.00 H ATOM 1128 HD12 LEU A 72 4.859 29.466 -21.305 1.00 0.00 H ATOM 1129 HD13 LEU A 72 6.133 29.220 -22.524 1.00 0.00 H ATOM 1130 H LEU A 72 1.153 32.111 -23.962 1.00 0.00 H ATOM 1131 N LEU A 73 4.052 32.624 -25.270 1.00 0.00 N ATOM 1132 CA LEU A 73 5.056 33.091 -26.218 1.00 0.00 C ATOM 1133 C LEU A 73 5.368 34.572 -26.097 1.00 0.00 C ATOM 1134 O LEU A 73 6.437 34.997 -26.527 1.00 0.00 O ATOM 1135 CB LEU A 73 4.638 32.876 -27.670 1.00 0.00 C ATOM 1136 CG LEU A 73 4.254 31.468 -28.122 1.00 0.00 C ATOM 1137 CD1 LEU A 73 4.030 31.616 -29.620 1.00 0.00 C ATOM 1138 CD2 LEU A 73 5.297 30.404 -27.771 1.00 0.00 C ATOM 1139 HA LEU A 73 5.932 32.496 -25.962 1.00 0.00 H ATOM 1140 HB2 LEU A 73 3.777 33.519 -27.855 1.00 0.00 H ATOM 1141 HB3 LEU A 73 5.471 33.198 -28.295 1.00 0.00 H ATOM 1142 HG LEU A 73 3.367 31.103 -27.604 1.00 0.00 H ATOM 1143 HD21 LEU A 73 6.244 30.653 -28.251 1.00 0.00 H ATOM 1144 HD22 LEU A 73 5.433 30.373 -26.690 1.00 0.00 H ATOM 1145 HD23 LEU A 73 4.954 29.431 -28.123 1.00 0.00 H ATOM 1146 HD11 LEU A 73 3.233 32.338 -29.797 1.00 0.00 H ATOM 1147 HD12 LEU A 73 4.949 31.964 -30.091 1.00 0.00 H ATOM 1148 HD13 LEU A 73 3.748 30.651 -30.041 1.00 0.00 H ATOM 1149 H LEU A 73 3.128 32.311 -25.629 1.00 0.00 H ATOM 1150 N THR A 74 4.442 35.348 -25.540 1.00 0.00 N ATOM 1151 CA THR A 74 4.618 36.780 -25.370 1.00 0.00 C ATOM 1152 C THR A 74 5.229 37.054 -23.999 1.00 0.00 C ATOM 1153 O THR A 74 5.866 38.086 -23.806 1.00 0.00 O ATOM 1154 CB THR A 74 3.354 37.574 -25.733 1.00 0.00 C ATOM 1155 OG1 THR A 74 3.700 38.798 -26.347 1.00 0.00 O ATOM 1156 CG2 THR A 74 2.505 37.912 -24.518 1.00 0.00 C ATOM 1157 HA THR A 74 5.338 37.163 -26.093 1.00 0.00 H ATOM 1158 HB THR A 74 2.784 36.933 -26.406 1.00 0.00 H ATOM 1159 HG1 THR A 74 2.875 39.297 -26.574 1.00 0.00 H ATOM 1160 HG23 THR A 74 2.215 36.991 -24.012 1.00 0.00 H ATOM 1161 HG21 THR A 74 3.082 38.537 -23.836 1.00 0.00 H ATOM 1162 HG22 THR A 74 1.612 38.449 -24.838 1.00 0.00 H ATOM 1163 H THR A 74 3.556 34.912 -25.213 1.00 0.00 H ATOM 1164 N LYS A 75 5.055 36.123 -23.051 1.00 0.00 N ATOM 1165 CA LYS A 75 5.620 36.271 -21.722 1.00 0.00 C ATOM 1166 C LYS A 75 7.131 36.030 -21.754 1.00 0.00 C ATOM 1167 O LYS A 75 7.881 36.726 -21.074 1.00 0.00 O ATOM 1168 CB LYS A 75 4.936 35.273 -20.773 1.00 0.00 C ATOM 1169 CG LYS A 75 4.503 35.868 -19.440 1.00 0.00 C ATOM 1170 CD LYS A 75 3.324 36.852 -19.453 1.00 0.00 C ATOM 1171 CE LYS A 75 1.995 36.212 -19.865 1.00 0.00 C ATOM 1172 NZ LYS A 75 0.888 37.176 -19.737 1.00 0.00 N ATOM 1173 HA LYS A 75 5.449 37.287 -21.365 1.00 0.00 H ATOM 1174 HB2 LYS A 75 4.052 34.877 -21.273 1.00 0.00 H ATOM 1175 HB3 LYS A 75 5.633 34.459 -20.573 1.00 0.00 H ATOM 1176 HG2 LYS A 75 4.231 35.040 -18.786 1.00 0.00 H ATOM 1177 HG3 LYS A 75 5.362 36.393 -19.022 1.00 0.00 H ATOM 1178 HD2 LYS A 75 3.211 37.268 -18.452 1.00 0.00 H ATOM 1179 HD3 LYS A 75 3.552 37.654 -20.154 1.00 0.00 H ATOM 1180 HE2 LYS A 75 1.797 35.353 -19.223 1.00 0.00 H ATOM 1181 HE3 LYS A 75 2.063 35.881 -20.901 1.00 0.00 H ATOM 1182 HZ1 LYS A 75 0.817 37.491 -18.748 1.00 0.00 H ATOM 1183 HZ2 LYS A 75 1.071 37.995 -20.351 1.00 0.00 H ATOM 1184 HZ3 LYS A 75 -0.002 36.720 -20.022 1.00 0.00 H ATOM 1185 H LYS A 75 4.500 35.272 -23.273 1.00 0.00 H ATOM 1186 N LEU A 76 7.558 35.034 -22.538 1.00 0.00 N ATOM 1187 CA LEU A 76 8.950 34.635 -22.696 1.00 0.00 C ATOM 1188 C LEU A 76 9.884 35.811 -23.058 1.00 0.00 C ATOM 1189 O LEU A 76 10.731 36.166 -22.239 1.00 0.00 O ATOM 1190 CB LEU A 76 9.022 33.421 -23.649 1.00 0.00 C ATOM 1191 CG LEU A 76 8.536 32.067 -23.089 1.00 0.00 C ATOM 1192 CD1 LEU A 76 8.333 31.100 -24.261 1.00 0.00 C ATOM 1193 CD2 LEU A 76 9.545 31.456 -22.112 1.00 0.00 C ATOM 1194 HA LEU A 76 9.345 34.312 -21.733 1.00 0.00 H ATOM 1195 HB2 LEU A 76 8.416 33.653 -24.525 1.00 0.00 H ATOM 1196 HB3 LEU A 76 10.062 33.299 -23.950 1.00 0.00 H ATOM 1197 HG LEU A 76 7.605 32.236 -22.547 1.00 0.00 H ATOM 1198 HD21 LEU A 76 10.493 31.293 -22.625 1.00 0.00 H ATOM 1199 HD22 LEU A 76 9.696 32.137 -21.275 1.00 0.00 H ATOM 1200 HD23 LEU A 76 9.161 30.505 -21.743 1.00 0.00 H ATOM 1201 HD11 LEU A 76 7.588 31.510 -24.944 1.00 0.00 H ATOM 1202 HD12 LEU A 76 9.277 30.967 -24.789 1.00 0.00 H ATOM 1203 HD13 LEU A 76 7.989 30.138 -23.881 1.00 0.00 H ATOM 1204 H LEU A 76 6.842 34.504 -23.075 1.00 0.00 H ATOM 1205 N PRO A 77 9.780 36.432 -24.245 1.00 0.00 N ATOM 1206 CA PRO A 77 10.626 37.540 -24.656 1.00 0.00 C ATOM 1207 C PRO A 77 10.111 38.870 -24.095 1.00 0.00 C ATOM 1208 O PRO A 77 8.908 39.058 -23.925 1.00 0.00 O ATOM 1209 CB PRO A 77 10.525 37.547 -26.181 1.00 0.00 C ATOM 1210 CG PRO A 77 9.067 37.143 -26.406 1.00 0.00 C ATOM 1211 CD PRO A 77 8.848 36.109 -25.300 1.00 0.00 C ATOM 1212 HA PRO A 77 11.648 37.426 -24.294 1.00 0.00 H ATOM 1213 HD3 PRO A 77 7.825 36.165 -24.929 1.00 0.00 H ATOM 1214 HD2 PRO A 77 9.041 35.105 -25.679 1.00 0.00 H ATOM 1215 HG3 PRO A 77 8.926 36.703 -27.393 1.00 0.00 H ATOM 1216 HG2 PRO A 77 8.397 37.995 -26.290 1.00 0.00 H ATOM 1217 HB2 PRO A 77 10.729 38.538 -26.587 1.00 0.00 H ATOM 1218 HB3 PRO A 77 11.209 36.825 -26.627 1.00 0.00 H ATOM 1219 N THR A 78 11.035 39.799 -23.830 1.00 0.00 N ATOM 1220 CA THR A 78 10.754 41.125 -23.309 1.00 0.00 C ATOM 1221 C THR A 78 11.397 42.182 -24.214 1.00 0.00 C ATOM 1222 O THR A 78 10.745 43.148 -24.608 1.00 0.00 O ATOM 1223 CB THR A 78 11.275 41.180 -21.866 1.00 0.00 C ATOM 1224 OG1 THR A 78 10.550 40.259 -21.077 1.00 0.00 O ATOM 1225 CG2 THR A 78 11.120 42.577 -21.273 1.00 0.00 C ATOM 1226 HA THR A 78 9.685 41.336 -23.299 1.00 0.00 H ATOM 1227 HB THR A 78 12.335 40.927 -21.874 1.00 0.00 H ATOM 1228 HG1 THR A 78 10.883 40.291 -20.145 1.00 0.00 H ATOM 1229 HG23 THR A 78 11.678 43.291 -21.879 1.00 0.00 H ATOM 1230 HG21 THR A 78 10.065 42.852 -21.264 1.00 0.00 H ATOM 1231 HG22 THR A 78 11.507 42.583 -20.254 1.00 0.00 H ATOM 1232 H THR A 78 12.029 39.554 -24.010 1.00 0.00 H ATOM 1233 N ILE A 79 12.681 41.997 -24.545 1.00 0.00 N ATOM 1234 CA ILE A 79 13.448 42.911 -25.382 1.00 0.00 C ATOM 1235 C ILE A 79 12.787 43.043 -26.749 1.00 0.00 C ATOM 1236 O ILE A 79 12.625 44.148 -27.260 1.00 0.00 O ATOM 1237 CB ILE A 79 14.920 42.454 -25.514 1.00 0.00 C ATOM 1238 CG1 ILE A 79 15.699 42.429 -24.184 1.00 0.00 C ATOM 1239 CG2 ILE A 79 15.675 43.388 -26.473 1.00 0.00 C ATOM 1240 CD1 ILE A 79 15.392 41.212 -23.307 1.00 0.00 C ATOM 1241 HA ILE A 79 13.458 43.891 -24.904 1.00 0.00 H ATOM 1242 HB ILE A 79 14.868 41.431 -25.888 1.00 0.00 H ATOM 1243 HG12 ILE A 79 16.765 42.429 -24.411 1.00 0.00 H ATOM 1244 HG13 ILE A 79 15.448 43.329 -23.622 1.00 0.00 H ATOM 1245 HD11 ILE A 79 14.330 41.202 -23.060 1.00 0.00 H ATOM 1246 HD12 ILE A 79 15.648 40.301 -23.849 1.00 0.00 H ATOM 1247 HD13 ILE A 79 15.979 41.269 -22.391 1.00 0.00 H ATOM 1248 HG21 ILE A 79 15.200 43.360 -27.454 1.00 0.00 H ATOM 1249 HG22 ILE A 79 15.648 44.406 -26.083 1.00 0.00 H ATOM 1250 HG23 ILE A 79 16.710 43.058 -26.559 1.00 0.00 H ATOM 1251 H ILE A 79 13.161 41.149 -24.182 1.00 0.00 H ATOM 1252 N SER A 80 12.410 41.899 -27.325 1.00 0.00 N ATOM 1253 CA SER A 80 11.764 41.828 -28.630 1.00 0.00 C ATOM 1254 C SER A 80 10.603 42.820 -28.728 1.00 0.00 C ATOM 1255 O SER A 80 10.522 43.593 -29.683 1.00 0.00 O ATOM 1256 CB SER A 80 11.303 40.394 -28.916 1.00 0.00 C ATOM 1257 OG SER A 80 10.840 40.285 -30.245 1.00 0.00 O ATOM 1258 HA SER A 80 12.492 42.109 -29.391 1.00 0.00 H ATOM 1259 HB2 SER A 80 10.497 40.132 -28.231 1.00 0.00 H ATOM 1260 HB3 SER A 80 12.140 39.711 -28.769 1.00 0.00 H ATOM 1261 HG SER A 80 10.546 39.355 -30.416 1.00 0.00 H ATOM 1262 H SER A 80 12.587 41.010 -26.815 1.00 0.00 H ATOM 1263 N GLN A 81 9.716 42.804 -27.725 1.00 0.00 N ATOM 1264 CA GLN A 81 8.570 43.696 -27.684 1.00 0.00 C ATOM 1265 C GLN A 81 8.997 45.163 -27.690 1.00 0.00 C ATOM 1266 O GLN A 81 8.345 45.996 -28.321 1.00 0.00 O ATOM 1267 CB GLN A 81 7.655 43.362 -26.499 1.00 0.00 C ATOM 1268 CG GLN A 81 7.140 41.917 -26.580 1.00 0.00 C ATOM 1269 CD GLN A 81 5.861 41.734 -25.766 1.00 0.00 C ATOM 1270 OE1 GLN A 81 4.764 41.863 -26.303 1.00 0.00 O ATOM 1271 NE2 GLN A 81 5.986 41.438 -24.474 1.00 0.00 N ATOM 1272 HA GLN A 81 7.990 43.538 -28.594 1.00 0.00 H ATOM 1273 HB2 GLN A 81 8.214 43.488 -25.572 1.00 0.00 H ATOM 1274 HB3 GLN A 81 6.804 44.043 -26.504 1.00 0.00 H ATOM 1275 HG2 GLN A 81 6.936 41.671 -27.622 1.00 0.00 H ATOM 1276 HG3 GLN A 81 7.906 41.245 -26.193 1.00 0.00 H ATOM 1277 HE22 GLN A 81 6.931 41.336 -24.053 1.00 0.00 H ATOM 1278 HE21 GLN A 81 5.138 41.308 -23.886 1.00 0.00 H ATOM 1279 H GLN A 81 9.853 42.128 -26.947 1.00 0.00 H ATOM 1280 N ARG A 82 10.099 45.475 -27.002 1.00 0.00 N ATOM 1281 CA ARG A 82 10.617 46.835 -26.941 1.00 0.00 C ATOM 1282 C ARG A 82 11.076 47.309 -28.324 1.00 0.00 C ATOM 1283 O ARG A 82 10.837 48.466 -28.666 1.00 0.00 O ATOM 1284 CB ARG A 82 11.727 46.973 -25.887 1.00 0.00 C ATOM 1285 CG ARG A 82 12.079 48.445 -25.636 1.00 0.00 C ATOM 1286 CD ARG A 82 13.147 48.563 -24.545 1.00 0.00 C ATOM 1287 NE ARG A 82 13.487 49.970 -24.296 1.00 0.00 N ATOM 1288 CZ ARG A 82 14.394 50.396 -23.402 1.00 0.00 C ATOM 1289 NH1 ARG A 82 15.075 49.517 -22.656 1.00 0.00 N ATOM 1290 NH2 ARG A 82 14.617 51.709 -23.256 1.00 0.00 N ATOM 1291 HA ARG A 82 9.803 47.488 -26.625 1.00 0.00 H ATOM 1292 HB2 ARG A 82 11.388 46.525 -24.953 1.00 0.00 H ATOM 1293 HB3 ARG A 82 12.617 46.450 -26.238 1.00 0.00 H ATOM 1294 HG2 ARG A 82 12.458 48.886 -26.558 1.00 0.00 H ATOM 1295 HG3 ARG A 82 11.183 48.980 -25.320 1.00 0.00 H ATOM 1296 HD2 ARG A 82 14.043 48.030 -24.863 1.00 0.00 H ATOM 1297 HD3 ARG A 82 12.768 48.119 -23.625 1.00 0.00 H ATOM 1298 HE ARG A 82 12.987 50.691 -24.854 1.00 0.00 H ATOM 1299 HH12 ARG A 82 15.776 49.854 -21.966 1.00 0.00 H ATOM 1300 HH11 ARG A 82 14.903 48.497 -22.767 1.00 0.00 H ATOM 1301 HH22 ARG A 82 15.318 52.044 -22.565 1.00 0.00 H ATOM 1302 HH21 ARG A 82 14.089 52.394 -23.834 1.00 0.00 H ATOM 1303 H ARG A 82 10.604 44.722 -26.493 1.00 0.00 H ATOM 1304 N ILE A 83 11.722 46.440 -29.120 1.00 0.00 N ATOM 1305 CA ILE A 83 12.185 46.826 -30.452 1.00 0.00 C ATOM 1306 C ILE A 83 10.982 47.237 -31.282 1.00 0.00 C ATOM 1307 O ILE A 83 10.964 48.321 -31.856 1.00 0.00 O ATOM 1308 CB ILE A 83 12.929 45.694 -31.193 1.00 0.00 C ATOM 1309 CG1 ILE A 83 13.908 44.918 -30.333 1.00 0.00 C ATOM 1310 CG2 ILE A 83 13.607 46.191 -32.483 1.00 0.00 C ATOM 1311 CD1 ILE A 83 14.863 45.722 -29.463 1.00 0.00 C ATOM 1312 HA ILE A 83 12.892 47.645 -30.322 1.00 0.00 H ATOM 1313 HB ILE A 83 12.145 44.987 -31.465 1.00 0.00 H ATOM 1314 HG12 ILE A 83 13.326 44.275 -29.673 1.00 0.00 H ATOM 1315 HG13 ILE A 83 14.512 44.301 -30.999 1.00 0.00 H ATOM 1316 HD11 ILE A 83 15.477 46.363 -30.096 1.00 0.00 H ATOM 1317 HD12 ILE A 83 14.290 46.336 -28.769 1.00 0.00 H ATOM 1318 HD13 ILE A 83 15.504 45.041 -28.903 1.00 0.00 H ATOM 1319 HG21 ILE A 83 12.852 46.598 -33.156 1.00 0.00 H ATOM 1320 HG22 ILE A 83 14.331 46.968 -32.236 1.00 0.00 H ATOM 1321 HG23 ILE A 83 14.117 45.359 -32.968 1.00 0.00 H ATOM 1322 H ILE A 83 11.896 45.472 -28.781 1.00 0.00 H ATOM 1323 N VAL A 84 9.977 46.359 -31.336 1.00 0.00 N ATOM 1324 CA VAL A 84 8.759 46.632 -32.096 1.00 0.00 C ATOM 1325 C VAL A 84 8.123 47.941 -31.638 1.00 0.00 C ATOM 1326 O VAL A 84 7.742 48.776 -32.461 1.00 0.00 O ATOM 1327 CB VAL A 84 7.777 45.447 -32.041 1.00 0.00 C ATOM 1328 CG1 VAL A 84 6.521 45.738 -32.873 1.00 0.00 C ATOM 1329 CG2 VAL A 84 8.421 44.156 -32.567 1.00 0.00 C ATOM 1330 HA VAL A 84 9.030 46.752 -33.145 1.00 0.00 H ATOM 1331 HB VAL A 84 7.506 45.312 -30.994 1.00 0.00 H ATOM 1332 HG11 VAL A 84 6.024 46.625 -32.480 1.00 0.00 H ATOM 1333 HG12 VAL A 84 6.806 45.910 -33.911 1.00 0.00 H ATOM 1334 HG13 VAL A 84 5.844 44.885 -32.817 1.00 0.00 H ATOM 1335 HG21 VAL A 84 8.729 44.301 -33.602 1.00 0.00 H ATOM 1336 HG22 VAL A 84 9.291 43.911 -31.958 1.00 0.00 H ATOM 1337 HG23 VAL A 84 7.698 43.342 -32.512 1.00 0.00 H ATOM 1338 H VAL A 84 10.063 45.458 -30.824 1.00 0.00 H ATOM 1339 N SER A 85 8.041 48.131 -30.322 1.00 0.00 N ATOM 1340 CA SER A 85 7.493 49.325 -29.702 1.00 0.00 C ATOM 1341 C SER A 85 8.470 50.506 -29.761 1.00 0.00 C ATOM 1342 O SER A 85 8.609 51.243 -28.786 1.00 0.00 O ATOM 1343 CB SER A 85 7.093 49.012 -28.259 1.00 0.00 C ATOM 1344 OG SER A 85 6.251 47.878 -28.207 1.00 0.00 O ATOM 1345 HA SER A 85 6.609 49.626 -30.264 1.00 0.00 H ATOM 1346 HB2 SER A 85 6.565 49.869 -27.840 1.00 0.00 H ATOM 1347 HB3 SER A 85 7.991 48.818 -27.673 1.00 0.00 H ATOM 1348 HG SER A 85 6.728 47.097 -28.583 1.00 0.00 H ATOM 1349 H SER A 85 8.392 47.376 -29.699 1.00 0.00 H ATOM 1350 N ALA A 86 9.138 50.689 -30.903 1.00 0.00 N ATOM 1351 CA ALA A 86 10.095 51.757 -31.141 1.00 0.00 C ATOM 1352 C ALA A 86 10.410 51.854 -32.634 1.00 0.00 C ATOM 1353 O ALA A 86 10.150 52.884 -33.253 1.00 0.00 O ATOM 1354 CB ALA A 86 11.371 51.537 -30.317 1.00 0.00 C ATOM 1355 HA ALA A 86 9.655 52.702 -30.821 1.00 0.00 H ATOM 1356 HB1 ALA A 86 11.119 51.519 -29.257 1.00 0.00 H ATOM 1357 HB2 ALA A 86 11.825 50.587 -30.599 1.00 0.00 H ATOM 1358 HB3 ALA A 86 12.072 52.349 -30.512 1.00 0.00 H ATOM 1359 H ALA A 86 8.961 50.019 -31.678 1.00 0.00 H ATOM 1360 N GLN A 87 10.964 50.772 -33.194 1.00 0.00 N ATOM 1361 CA GLN A 87 11.371 50.609 -34.592 1.00 0.00 C ATOM 1362 C GLN A 87 10.423 51.268 -35.581 1.00 0.00 C ATOM 1363 O GLN A 87 10.821 52.050 -36.441 1.00 0.00 O ATOM 1364 CB GLN A 87 11.584 49.120 -34.916 1.00 0.00 C ATOM 1365 CG GLN A 87 12.142 48.904 -36.327 1.00 0.00 C ATOM 1366 CD GLN A 87 12.473 47.434 -36.566 1.00 0.00 C ATOM 1367 OE1 GLN A 87 13.638 47.064 -36.674 1.00 0.00 O ATOM 1368 NE2 GLN A 87 11.448 46.585 -36.646 1.00 0.00 N ATOM 1369 HA GLN A 87 12.319 51.135 -34.708 1.00 0.00 H ATOM 1370 HB2 GLN A 87 12.285 48.701 -34.194 1.00 0.00 H ATOM 1371 HB3 GLN A 87 10.628 48.603 -34.834 1.00 0.00 H ATOM 1372 HG2 GLN A 87 11.399 49.226 -37.057 1.00 0.00 H ATOM 1373 HG3 GLN A 87 13.048 49.498 -36.447 1.00 0.00 H ATOM 1374 HE22 GLN A 87 10.474 46.936 -36.550 1.00 0.00 H ATOM 1375 HE21 GLN A 87 11.623 45.572 -36.805 1.00 0.00 H ATOM 1376 H GLN A 87 11.123 49.957 -32.568 1.00 0.00 H ATOM 1377 N SER A 88 9.161 50.917 -35.412 1.00 0.00 N ATOM 1378 CA SER A 88 8.020 51.384 -36.178 1.00 0.00 C ATOM 1379 C SER A 88 6.940 51.888 -35.224 1.00 0.00 C ATOM 1380 O SER A 88 5.755 51.798 -35.528 1.00 0.00 O ATOM 1381 CB SER A 88 7.513 50.238 -37.053 1.00 0.00 C ATOM 1382 OG SER A 88 7.263 49.088 -36.267 1.00 0.00 O ATOM 1383 HA SER A 88 8.303 52.213 -36.827 1.00 0.00 H ATOM 1384 HB2 SER A 88 8.265 50.002 -37.806 1.00 0.00 H ATOM 1385 HB3 SER A 88 6.590 50.544 -37.546 1.00 0.00 H ATOM 1386 HG SER A 88 6.936 48.357 -36.849 1.00 0.00 H ATOM 1387 H SER A 88 8.964 50.235 -34.651 1.00 0.00 H ATOM 1388 N LEU A 89 7.374 52.401 -34.066 1.00 0.00 N ATOM 1389 CA LEU A 89 6.563 52.914 -32.970 1.00 0.00 C ATOM 1390 C LEU A 89 5.329 52.040 -32.724 1.00 0.00 C ATOM 1391 O LEU A 89 4.222 52.535 -32.527 1.00 0.00 O ATOM 1392 CB LEU A 89 6.329 54.434 -33.087 1.00 0.00 C ATOM 1393 CG LEU A 89 5.873 54.986 -34.450 1.00 0.00 C ATOM 1394 CD1 LEU A 89 4.390 54.722 -34.728 1.00 0.00 C ATOM 1395 CD2 LEU A 89 6.102 56.502 -34.480 1.00 0.00 C ATOM 1396 HA LEU A 89 7.122 52.826 -32.038 1.00 0.00 H ATOM 1397 HB2 LEU A 89 5.567 54.704 -32.355 1.00 0.00 H ATOM 1398 HB3 LEU A 89 7.267 54.928 -32.833 1.00 0.00 H ATOM 1399 HG LEU A 89 6.457 54.474 -35.215 1.00 0.00 H ATOM 1400 HD21 LEU A 89 5.526 56.971 -33.683 1.00 0.00 H ATOM 1401 HD22 LEU A 89 7.162 56.711 -34.335 1.00 0.00 H ATOM 1402 HD23 LEU A 89 5.781 56.898 -35.443 1.00 0.00 H ATOM 1403 HD11 LEU A 89 4.206 53.648 -34.724 1.00 0.00 H ATOM 1404 HD12 LEU A 89 3.786 55.198 -33.955 1.00 0.00 H ATOM 1405 HD13 LEU A 89 4.125 55.133 -35.702 1.00 0.00 H ATOM 1406 H LEU A 89 8.405 52.437 -33.934 1.00 0.00 H ATOM 1407 N GLY A 90 5.545 50.718 -32.739 1.00 0.00 N ATOM 1408 CA GLY A 90 4.503 49.723 -32.540 1.00 0.00 C ATOM 1409 C GLY A 90 3.982 49.225 -33.887 1.00 0.00 C ATOM 1410 O GLY A 90 4.054 48.030 -34.167 1.00 0.00 O ATOM 1411 HA3 GLY A 90 3.682 50.169 -31.979 1.00 0.00 H ATOM 1412 HA2 GLY A 90 4.911 48.882 -31.979 1.00 0.00 H ATOM 1413 H GLY A 90 6.516 50.383 -32.903 1.00 0.00 H ATOM 1414 N GLU A 91 3.462 50.139 -34.715 1.00 0.00 N ATOM 1415 CA GLU A 91 2.925 49.841 -36.037 1.00 0.00 C ATOM 1416 C GLU A 91 3.006 51.110 -36.898 1.00 0.00 C ATOM 1417 O GLU A 91 2.857 52.208 -36.365 1.00 0.00 O ATOM 1418 CB GLU A 91 1.478 49.350 -35.893 1.00 0.00 C ATOM 1419 CG GLU A 91 0.874 48.892 -37.224 1.00 0.00 C ATOM 1420 CD GLU A 91 -0.518 48.310 -37.007 1.00 0.00 C ATOM 1421 OE1 GLU A 91 -1.473 49.116 -36.979 1.00 0.00 O ATOM 1422 OE2 GLU A 91 -0.597 47.072 -36.855 1.00 0.00 O ATOM 1423 HA GLU A 91 3.502 49.055 -36.524 1.00 0.00 H ATOM 1424 HB2 GLU A 91 1.461 48.512 -35.196 1.00 0.00 H ATOM 1425 HB3 GLU A 91 0.871 50.164 -35.496 1.00 0.00 H ATOM 1426 HG2 GLU A 91 0.805 49.745 -37.899 1.00 0.00 H ATOM 1427 HG3 GLU A 91 1.516 48.131 -37.667 1.00 0.00 H ATOM 1428 H GLU A 91 3.440 51.128 -34.394 1.00 0.00 H ATOM 1429 N ASP A 92 3.236 50.972 -38.214 1.00 0.00 N ATOM 1430 CA ASP A 92 3.341 52.079 -39.158 1.00 0.00 C ATOM 1431 C ASP A 92 2.746 51.633 -40.501 1.00 0.00 C ATOM 1432 O ASP A 92 2.556 50.434 -40.712 1.00 0.00 O ATOM 1433 CB ASP A 92 4.821 52.476 -39.283 1.00 0.00 C ATOM 1434 CG ASP A 92 5.056 53.691 -40.175 1.00 0.00 C ATOM 1435 OD1 ASP A 92 4.116 54.506 -40.302 1.00 0.00 O ATOM 1436 OD2 ASP A 92 6.186 53.788 -40.700 1.00 0.00 O ATOM 1437 HA ASP A 92 2.786 52.953 -38.817 1.00 0.00 H ATOM 1438 HB2 ASP A 92 5.203 52.701 -38.287 1.00 0.00 H ATOM 1439 HB3 ASP A 92 5.370 51.632 -39.699 1.00 0.00 H ATOM 1440 H ASP A 92 3.347 50.007 -38.586 1.00 0.00 H ATOM 1441 N ASP A 93 2.444 52.577 -41.403 1.00 0.00 N ATOM 1442 CA ASP A 93 1.867 52.285 -42.712 1.00 0.00 C ATOM 1443 C ASP A 93 2.954 51.997 -43.752 1.00 0.00 C ATOM 1444 O ASP A 93 4.147 52.070 -43.460 1.00 0.00 O ATOM 1445 CB ASP A 93 0.910 53.408 -43.146 1.00 0.00 C ATOM 1446 CG ASP A 93 1.621 54.711 -43.499 1.00 0.00 C ATOM 1447 OD1 ASP A 93 2.201 54.761 -44.605 1.00 0.00 O ATOM 1448 OD2 ASP A 93 1.539 55.643 -42.672 1.00 0.00 O ATOM 1449 HA ASP A 93 1.274 51.374 -42.633 1.00 0.00 H ATOM 1450 HB2 ASP A 93 0.355 53.070 -44.021 1.00 0.00 H ATOM 1451 HB3 ASP A 93 0.215 53.604 -42.330 1.00 0.00 H ATOM 1452 H ASP A 93 2.631 53.570 -41.158 1.00 0.00 H ATOM 1453 N VAL A 94 2.524 51.653 -44.972 1.00 0.00 N ATOM 1454 CA VAL A 94 3.378 51.335 -46.107 1.00 0.00 C ATOM 1455 C VAL A 94 2.708 51.889 -47.366 1.00 0.00 C ATOM 1456 O VAL A 94 1.479 51.936 -47.439 1.00 0.00 O ATOM 1457 CB VAL A 94 3.582 49.807 -46.209 1.00 0.00 C ATOM 1458 CG1 VAL A 94 4.465 49.432 -47.408 1.00 0.00 C ATOM 1459 CG2 VAL A 94 4.233 49.234 -44.942 1.00 0.00 C ATOM 1460 HA VAL A 94 4.363 51.786 -45.987 1.00 0.00 H ATOM 1461 HB VAL A 94 2.587 49.380 -46.336 1.00 0.00 H ATOM 1462 HG11 VAL A 94 3.993 49.778 -48.328 1.00 0.00 H ATOM 1463 HG12 VAL A 94 5.442 49.903 -47.300 1.00 0.00 H ATOM 1464 HG13 VAL A 94 4.585 48.349 -47.445 1.00 0.00 H ATOM 1465 HG21 VAL A 94 5.206 49.701 -44.792 1.00 0.00 H ATOM 1466 HG22 VAL A 94 3.594 49.438 -44.083 1.00 0.00 H ATOM 1467 HG23 VAL A 94 4.359 48.157 -45.055 1.00 0.00 H ATOM 1468 H VAL A 94 1.496 51.609 -45.121 1.00 0.00 H ATOM 1469 N GLU A 95 3.520 52.292 -48.348 1.00 0.00 N ATOM 1470 CA GLU A 95 3.100 52.823 -49.635 1.00 0.00 C ATOM 1471 C GLU A 95 4.010 52.197 -50.694 1.00 0.00 C ATOM 1472 O GLU A 95 3.453 51.456 -51.533 1.00 0.00 O ATOM 1473 CB GLU A 95 3.203 54.356 -49.617 1.00 0.00 C ATOM 1474 CG GLU A 95 2.644 54.984 -50.900 1.00 0.00 C ATOM 1475 CD GLU A 95 2.723 56.507 -50.857 1.00 0.00 C ATOM 1476 OE1 GLU A 95 3.810 57.031 -51.184 1.00 0.00 O ATOM 1477 OE2 GLU A 95 1.695 57.122 -50.499 1.00 0.00 O ATOM 1478 HA GLU A 95 2.061 52.579 -49.859 1.00 0.00 H ATOM 1479 OXT GLU A 95 5.224 52.131 -50.393 1.00 0.00 O ATOM 1480 HB2 GLU A 95 2.641 54.737 -48.764 1.00 0.00 H ATOM 1481 HB3 GLU A 95 4.251 54.638 -49.515 1.00 0.00 H ATOM 1482 HG2 GLU A 95 3.220 54.623 -51.752 1.00 0.00 H ATOM 1483 HG3 GLU A 95 1.602 54.686 -51.016 1.00 0.00 H ATOM 1484 H GLU A 95 4.543 52.219 -48.177 1.00 0.00 H TER 1485 GLU A 95 HETATM 1486 N GLY A 1 -13.962 20.867 -21.813 1.00 0.24 N HETATM 1487 CA GLY A 1 -13.981 20.988 -20.345 1.00 0.05 C HETATM 1488 C GLY A 1 -12.561 21.168 -19.812 1.00 0.23 C HETATM 1489 O GLY A 1 -11.623 20.984 -20.583 1.00 -0.39 O HETATM 1490 N GLY A 1 -12.398 21.523 -18.526 1.00 -0.25 N HETATM 1491 CA GLY A 1 -11.111 21.758 -17.876 1.00 0.13 C HETATM 1492 C GLY A 1 -10.340 20.459 -17.588 1.00 0.20 C HETATM 1493 O GLY A 1 -10.012 20.164 -16.440 1.00 -0.39 O HETATM 1494 N GLY A 1 -10.049 19.682 -18.636 1.00 -0.26 N HETATM 1495 CA GLY A 1 -9.317 18.426 -18.591 1.00 0.13 C HETATM 1496 C GLY A 1 -8.592 18.269 -19.928 1.00 0.20 C HETATM 1497 O GLY A 1 -9.099 17.617 -20.840 1.00 -0.39 O HETATM 1498 N GLY A 1 -7.396 18.857 -20.034 1.00 -0.26 N HETATM 1499 CA GLY A 1 -6.556 18.815 -21.226 1.00 0.13 C HETATM 1500 C GLY A 1 -6.012 17.403 -21.499 1.00 0.20 C HETATM 1501 O GLY A 1 -5.323 17.194 -22.494 1.00 -0.39 O HETATM 1502 N GLY A 1 -6.306 16.411 -20.649 1.00 -0.26 N HETATM 1503 CA GLY A 1 -5.839 15.043 -20.813 1.00 0.15 C HETATM 1504 C GLY A 1 -6.609 14.260 -21.882 1.00 0.21 C HETATM 1505 O GLY A 1 -7.071 13.150 -21.623 1.00 -0.39 O HETATM 1506 N GLY A 1 -6.723 14.826 -23.087 1.00 -0.26 N HETATM 1507 CA GLY A 1 -7.372 14.204 -24.228 1.00 0.13 C HETATM 1508 C GLY A 1 -6.246 13.501 -24.983 1.00 0.20 C HETATM 1509 O GLY A 1 -6.156 12.274 -24.980 1.00 -0.39 O HETATM 1510 N GLY A 1 -5.359 14.298 -25.591 1.00 -0.26 N HETATM 1511 CA GLY A 1 -4.186 13.818 -26.301 1.00 0.13 C HETATM 1512 C GLY A 1 -3.326 12.937 -25.412 1.00 0.20 C HETATM 1513 O GLY A 1 -2.776 11.969 -25.909 1.00 -0.39 O HETATM 1514 N GLY A 1 -3.206 13.245 -24.118 1.00 -0.26 N HETATM 1515 CA GLY A 1 -2.350 12.500 -23.206 1.00 0.13 C HETATM 1516 C GLY A 1 -2.753 11.031 -23.064 1.00 0.20 C HETATM 1517 O GLY A 1 -1.952 10.231 -22.588 1.00 -0.39 O HETATM 1518 N GLY A 1 -3.954 10.646 -23.517 1.00 -0.26 N HETATM 1519 CA GLY A 1 -4.363 9.248 -23.506 1.00 0.15 C HETATM 1520 C GLY A 1 -3.445 8.423 -24.430 1.00 0.21 C HETATM 1521 O GLY A 1 -3.434 7.197 -24.346 1.00 -0.39 O HETATM 1522 N GLY A 1 -2.683 9.095 -25.307 1.00 -0.26 N HETATM 1523 CA GLY A 1 -1.747 8.518 -26.259 1.00 0.14 C HETATM 1524 C GLY A 1 -0.448 7.990 -25.630 1.00 0.21 C HETATM 1525 O GLY A 1 0.382 7.445 -26.355 1.00 -0.39 O HETATM 1526 N GLY A 1 -0.238 8.178 -24.318 1.00 -0.27 N HETATM 1527 CA GLY A 1 0.995 7.803 -23.647 1.00 0.09 C HETATM 1528 C GLY A 1 0.747 7.635 -22.148 1.00 0.06 C HETATM 1529 O GLY A 1 1.087 6.544 -21.641 1.00 -0.57 O HETATM 1530 OXT GLY A 1 0.444 8.664 -21.505 1.00 -0.57 O HETATM 1531 CB GLY A 1 2.029 8.910 -23.913 1.00 -0.03 C HETATM 1532 H93 GLY A 1 2.976 8.654 -23.416 1.00 0.03 H HETATM 1533 H94 GLY A 1 1.654 9.865 -23.517 1.00 0.03 H HETATM 1534 H95 GLY A 1 2.196 9.003 -24.996 1.00 0.03 H HETATM 1535 H92 GLY A 1 1.364 6.851 -24.057 1.00 0.07 H HETATM 1536 H91 GLY A 1 -0.966 8.597 -23.775 1.00 0.19 H HETATM 1537 CB GLY A 1 -1.423 9.594 -27.320 1.00 0.02 C HETATM 1538 CG GLY A 1 -0.532 10.783 -26.936 1.00 -0.05 C HETATM 1539 CD1 GLY A 1 -0.175 11.077 -25.601 1.00 -0.07 C HETATM 1540 CE1 GLY A 1 0.646 12.168 -25.286 1.00 -0.04 C HETATM 1541 CZ GLY A 1 1.121 12.996 -26.310 1.00 0.08 C HETATM 1542 CE2 GLY A 1 0.757 12.729 -27.639 1.00 -0.04 C HETATM 1543 CD2 GLY A 1 -0.066 11.635 -27.953 1.00 -0.07 C HETATM 1544 H87 GLY A 1 -0.343 11.447 -28.984 1.00 0.05 H HETATM 1545 H89 GLY A 1 1.115 13.375 -28.433 1.00 0.05 H HETATM 1546 OH GLY A 1 1.919 14.062 -26.014 1.00 -0.34 O HETATM 1547 H90 GLY A 1 2.066 14.096 -25.076 1.00 0.25 H HETATM 1548 H88 GLY A 1 0.912 12.370 -24.255 1.00 0.05 H HETATM 1549 H86 GLY A 1 -0.545 10.444 -24.802 1.00 0.05 H HETATM 1550 H84 GLY A 1 -2.383 10.009 -27.660 1.00 0.05 H HETATM 1551 H85 GLY A 1 -0.929 9.080 -28.158 1.00 0.05 H HETATM 1552 H83 GLY A 1 -2.245 7.671 -26.753 1.00 0.08 H HETATM 1553 H82 GLY A 1 -2.767 10.091 -25.306 1.00 0.19 H HETATM 1554 CB GLY A 1 -5.826 9.138 -23.948 1.00 0.08 C HETATM 1555 OG GLY A 1 -6.285 7.812 -23.785 1.00 -0.39 O HETATM 1556 H81 GLY A 1 -5.755 7.227 -24.314 1.00 0.21 H HETATM 1557 H79 GLY A 1 -5.908 9.424 -25.007 1.00 0.06 H HETATM 1558 H80 GLY A 1 -6.442 9.814 -23.337 1.00 0.06 H HETATM 1559 H78 GLY A 1 -4.273 8.858 -22.481 1.00 0.08 H HETATM 1560 H77 GLY A 1 -4.585 11.336 -23.872 1.00 0.19 H HETATM 1561 CB GLY A 1 -2.149 13.212 -21.865 1.00 -0.01 C HETATM 1562 CG GLY A 1 -1.397 14.570 -21.849 1.00 -0.04 C HETATM 1563 CD1 GLY A 1 -0.046 14.604 -22.589 1.00 -0.06 C HETATM 1564 H71 GLY A 1 0.390 15.611 -22.510 1.00 0.02 H HETATM 1565 H72 GLY A 1 -0.202 14.354 -23.649 1.00 0.02 H HETATM 1566 H73 GLY A 1 0.638 13.871 -22.137 1.00 0.02 H HETATM 1567 CD2 GLY A 1 -2.311 15.755 -22.182 1.00 -0.06 C HETATM 1568 H74 GLY A 1 -3.252 15.662 -21.619 1.00 0.02 H HETATM 1569 H75 GLY A 1 -2.528 15.759 -23.260 1.00 0.02 H HETATM 1570 H76 GLY A 1 -1.809 16.694 -21.905 1.00 0.02 H HETATM 1571 H70 GLY A 1 -1.126 14.716 -20.793 1.00 0.03 H HETATM 1572 H68 GLY A 1 -1.590 12.524 -21.213 1.00 0.03 H HETATM 1573 H69 GLY A 1 -3.148 13.390 -21.439 1.00 0.03 H HETATM 1574 H67 GLY A 1 -1.358 12.485 -23.681 1.00 0.08 H HETATM 1575 H66 GLY A 1 -3.726 14.020 -23.760 1.00 0.19 H HETATM 1576 CB GLY A 1 -3.412 14.975 -26.968 1.00 -0.01 C HETATM 1577 CG GLY A 1 -2.761 16.115 -26.146 1.00 -0.04 C HETATM 1578 CD1 GLY A 1 -3.665 16.897 -25.204 1.00 -0.06 C HETATM 1579 H60 GLY A 1 -3.076 17.670 -24.688 1.00 0.02 H HETATM 1580 H61 GLY A 1 -4.101 16.212 -24.462 1.00 0.02 H HETATM 1581 H62 GLY A 1 -4.471 17.374 -25.781 1.00 0.02 H HETATM 1582 CD2 GLY A 1 -1.514 15.697 -25.363 1.00 -0.06 C HETATM 1583 H63 GLY A 1 -0.841 15.128 -26.022 1.00 0.02 H HETATM 1584 H64 GLY A 1 -1.810 15.068 -24.510 1.00 0.02 H HETATM 1585 H65 GLY A 1 -0.995 16.594 -24.994 1.00 0.02 H HETATM 1586 H59 GLY A 1 -2.422 16.839 -26.901 1.00 0.03 H HETATM 1587 H57 GLY A 1 -4.119 15.459 -27.658 1.00 0.03 H HETATM 1588 H58 GLY A 1 -2.599 14.509 -27.543 1.00 0.03 H HETATM 1589 H56 GLY A 1 -4.548 13.176 -27.118 1.00 0.08 H HETATM 1590 H55 GLY A 1 -5.513 15.285 -25.554 1.00 0.19 H HETATM 1591 CB GLY A 1 -8.106 15.276 -25.049 1.00 -0.01 C HETATM 1592 CG GLY A 1 -8.907 14.663 -26.202 1.00 -0.02 C HETATM 1593 CD GLY A 1 -9.641 15.767 -26.975 1.00 0.06 C HETATM 1594 NE GLY A 1 -10.540 15.214 -28.000 1.00 -0.27 N HETATM 1595 CZ GLY A 1 -11.773 14.726 -27.774 1.00 0.29 C HETATM 1596 NH1 GLY A 1 -12.266 14.665 -26.530 1.00 -0.28 N HETATM 1597 H51 GLY A 1 -13.211 14.289 -26.369 1.00 0.26 H HETATM 1598 H52 GLY A 1 -11.700 14.994 -25.735 1.00 0.26 H HETATM 1599 NH2 GLY A 1 -12.516 14.295 -28.802 1.00 -0.28 N HETATM 1600 H53 GLY A 1 -12.143 14.339 -29.761 1.00 0.26 H HETATM 1601 H54 GLY A 1 -13.460 13.920 -28.633 1.00 0.26 H HETATM 1602 H50 GLY A 1 -10.197 15.199 -28.971 1.00 0.26 H HETATM 1603 H48 GLY A 1 -8.897 16.413 -27.465 1.00 0.07 H HETATM 1604 H49 GLY A 1 -10.234 16.363 -26.266 1.00 0.07 H HETATM 1605 H46 GLY A 1 -9.642 13.951 -25.797 1.00 0.03 H HETATM 1606 H47 GLY A 1 -8.222 14.136 -26.882 1.00 0.03 H HETATM 1607 H44 GLY A 1 -7.365 15.976 -25.463 1.00 0.03 H HETATM 1608 H45 GLY A 1 -8.795 15.821 -24.387 1.00 0.03 H HETATM 1609 H43 GLY A 1 -8.107 13.459 -23.891 1.00 0.08 H HETATM 1610 H42 GLY A 1 -6.335 15.739 -23.212 1.00 0.19 H HETATM 1611 CB GLY A 1 -5.869 14.350 -19.453 1.00 0.08 C HETATM 1612 OG GLY A 1 -7.197 14.256 -18.983 1.00 -0.39 O HETATM 1613 H41 GLY A 1 -7.715 13.753 -19.600 1.00 0.21 H HETATM 1614 H39 GLY A 1 -5.270 14.931 -18.736 1.00 0.06 H HETATM 1615 H40 GLY A 1 -5.446 13.339 -19.551 1.00 0.06 H HETATM 1616 H38 GLY A 1 -4.791 15.088 -21.144 1.00 0.08 H HETATM 1617 H37 GLY A 1 -6.879 16.622 -19.857 1.00 0.19 H HETATM 1618 CB GLY A 1 -5.442 19.867 -21.058 1.00 -0.01 C HETATM 1619 CG GLY A 1 -4.404 19.993 -22.190 1.00 -0.04 C HETATM 1620 CD1 GLY A 1 -5.027 20.161 -23.576 1.00 -0.06 C HETATM 1621 H31 GLY A 1 -4.229 20.244 -24.329 1.00 0.02 H HETATM 1622 H32 GLY A 1 -5.643 21.072 -23.593 1.00 0.02 H HETATM 1623 H33 GLY A 1 -5.656 19.288 -23.803 1.00 0.02 H HETATM 1624 CD2 GLY A 1 -3.496 21.205 -21.929 1.00 -0.06 C HETATM 1625 H34 GLY A 1 -3.034 21.110 -20.936 1.00 0.02 H HETATM 1626 H35 GLY A 1 -4.095 22.127 -21.968 1.00 0.02 H HETATM 1627 H36 GLY A 1 -2.710 21.246 -22.697 1.00 0.02 H HETATM 1628 H30 GLY A 1 -3.792 19.079 -22.194 1.00 0.03 H HETATM 1629 H28 GLY A 1 -4.895 19.623 -20.136 1.00 0.03 H HETATM 1630 H29 GLY A 1 -5.929 20.847 -20.947 1.00 0.03 H HETATM 1631 H27 GLY A 1 -7.170 19.102 -22.092 1.00 0.08 H HETATM 1632 H26 GLY A 1 -7.053 19.361 -19.241 1.00 0.19 H HETATM 1633 CB GLY A 1 -10.240 17.220 -18.326 1.00 -0.01 C HETATM 1634 CG GLY A 1 -10.699 17.097 -16.865 1.00 -0.02 C HETATM 1635 CD GLY A 1 -12.015 17.830 -16.570 1.00 0.06 C HETATM 1636 NE GLY A 1 -11.920 18.568 -15.298 1.00 -0.27 N HETATM 1637 CZ GLY A 1 -12.743 18.502 -14.237 1.00 0.29 C HETATM 1638 NH1 GLY A 1 -13.807 17.687 -14.230 1.00 -0.28 N HETATM 1639 H22 GLY A 1 -14.424 17.653 -13.406 1.00 0.26 H HETATM 1640 H23 GLY A 1 -14.008 17.095 -15.049 1.00 0.26 H HETATM 1641 NH2 GLY A 1 -12.501 19.272 -13.170 1.00 -0.28 N HETATM 1642 H24 GLY A 1 -11.686 19.902 -13.164 1.00 0.26 H HETATM 1643 H25 GLY A 1 -13.129 19.235 -12.355 1.00 0.26 H HETATM 1644 H21 GLY A 1 -11.123 19.215 -15.211 1.00 0.26 H HETATM 1645 H19 GLY A 1 -12.831 17.096 -16.503 1.00 0.07 H HETATM 1646 H20 GLY A 1 -12.226 18.538 -17.385 1.00 0.07 H HETATM 1647 H17 GLY A 1 -9.915 17.517 -16.218 1.00 0.03 H HETATM 1648 H18 GLY A 1 -10.835 16.031 -16.632 1.00 0.03 H HETATM 1649 H15 GLY A 1 -9.697 16.302 -18.597 1.00 0.03 H HETATM 1650 H16 GLY A 1 -11.132 17.320 -18.962 1.00 0.03 H HETATM 1651 H14 GLY A 1 -8.575 18.476 -17.781 1.00 0.08 H HETATM 1652 H13 GLY A 1 -10.363 19.993 -19.533 1.00 0.19 H HETATM 1653 CB GLY A 1 -11.478 22.523 -16.598 1.00 -0.01 C HETATM 1654 CG GLY A 1 -12.858 21.982 -16.235 1.00 -0.03 C HETATM 1655 CD GLY A 1 -13.498 21.758 -17.602 1.00 0.04 C HETATM 1656 H11 GLY A 1 -14.166 20.884 -17.573 1.00 0.05 H HETATM 1657 H12 GLY A 1 -14.070 22.647 -17.907 1.00 0.05 H HETATM 1658 H9 GLY A 1 -13.429 22.714 -15.645 1.00 0.03 H HETATM 1659 H10 GLY A 1 -12.780 21.039 -15.674 1.00 0.03 H HETATM 1660 H7 GLY A 1 -11.519 23.606 -16.787 1.00 0.03 H HETATM 1661 H8 GLY A 1 -10.753 22.318 -15.796 1.00 0.03 H HETATM 1662 H6 GLY A 1 -10.482 22.390 -18.519 1.00 0.08 H HETATM 1663 H4 GLY A 1 -14.419 20.077 -19.911 1.00 0.11 H HETATM 1664 H5 GLY A 1 -14.589 21.859 -20.060 1.00 0.11 H HETATM 1665 H1 GLY A 1 -14.904 20.749 -22.153 1.00 0.20 H HETATM 1666 H2 GLY A 1 -13.407 20.068 -22.077 1.00 0.20 H HETATM 1667 H3 GLY A 1 -13.563 21.701 -22.214 1.00 0.20 H CONECT 1 2 24 25 26 CONECT 24 1 CONECT 25 1 CONECT 26 1 CONECT 1486 1487 1665 1666 1667 CONECT 1487 1486 1488 1663 1664 CONECT 1488 1487 1489 1490 CONECT 1489 1488 CONECT 1490 1488 1491 1655 CONECT 1491 1490 1492 1653 1662 CONECT 1492 1491 1493 1494 CONECT 1493 1492 CONECT 1494 1492 1495 1652 CONECT 1495 1494 1496 1633 1651 CONECT 1496 1495 1497 1498 CONECT 1497 1496 CONECT 1498 1496 1499 1632 CONECT 1499 1498 1500 1618 1631 CONECT 1500 1499 1501 1502 CONECT 1501 1500 CONECT 1502 1500 1503 1617 CONECT 1503 1502 1504 1611 1616 CONECT 1504 1503 1505 1506 CONECT 1505 1504 CONECT 1506 1504 1507 1610 CONECT 1507 1506 1508 1591 1609 CONECT 1508 1507 1509 1510 CONECT 1509 1508 CONECT 1510 1508 1511 1590 CONECT 1511 1510 1512 1576 1589 CONECT 1512 1511 1513 1514 CONECT 1513 1512 CONECT 1514 1512 1515 1575 CONECT 1515 1514 1516 1561 1574 CONECT 1516 1515 1517 1518 CONECT 1517 1516 CONECT 1518 1516 1519 1560 CONECT 1519 1518 1520 1554 1559 CONECT 1520 1519 1521 1522 CONECT 1521 1520 CONECT 1522 1520 1523 1553 CONECT 1523 1522 1524 1537 1552 CONECT 1524 1523 1525 1526 CONECT 1525 1524 CONECT 1526 1524 1527 1536 CONECT 1527 1526 1528 1531 1535 CONECT 1528 1527 1529 1530 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1527 1532 1533 1534 CONECT 1532 1531 CONECT 1533 1531 CONECT 1534 1531 CONECT 1535 1527 CONECT 1536 1526 CONECT 1537 1523 1538 1550 1551 CONECT 1538 1537 1539 1543 CONECT 1539 1538 1540 1549 CONECT 1540 1539 1541 1548 CONECT 1541 1540 1542 1546 CONECT 1542 1541 1543 1545 CONECT 1543 1538 1542 1544 CONECT 1544 1543 CONECT 1545 1542 CONECT 1546 1541 1547 CONECT 1547 1546 CONECT 1548 1540 CONECT 1549 1539 CONECT 1550 1537 CONECT 1551 1537 CONECT 1552 1523 CONECT 1553 1522 CONECT 1554 1519 1555 1557 1558 CONECT 1555 1554 1556 CONECT 1556 1555 CONECT 1557 1554 CONECT 1558 1554 CONECT 1559 1519 CONECT 1560 1518 CONECT 1561 1515 1562 1572 1573 CONECT 1562 1561 1563 1567 1571 CONECT 1563 1562 1564 1565 1566 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1563 CONECT 1567 1562 1568 1569 1570 CONECT 1568 1567 CONECT 1569 1567 CONECT 1570 1567 CONECT 1571 1562 CONECT 1572 1561 CONECT 1573 1561 CONECT 1574 1515 CONECT 1575 1514 CONECT 1576 1511 1577 1587 1588 CONECT 1577 1576 1578 1582 1586 CONECT 1578 1577 1579 1580 1581 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1578 CONECT 1582 1577 1583 1584 1585 CONECT 1583 1582 CONECT 1584 1582 CONECT 1585 1582 CONECT 1586 1577 CONECT 1587 1576 CONECT 1588 1576 CONECT 1589 1511 CONECT 1590 1510 CONECT 1591 1507 1592 1607 1608 CONECT 1592 1591 1593 1605 1606 CONECT 1593 1592 1594 1603 1604 CONECT 1594 1593 1595 1602 CONECT 1595 1594 1596 1599 CONECT 1596 1595 1597 1598 CONECT 1597 1596 CONECT 1598 1596 CONECT 1599 1595 1600 1601 CONECT 1600 1599 CONECT 1601 1599 CONECT 1602 1594 CONECT 1603 1593 CONECT 1604 1593 CONECT 1605 1592 CONECT 1606 1592 CONECT 1607 1591 CONECT 1608 1591 CONECT 1609 1507 CONECT 1610 1506 CONECT 1611 1503 1612 1614 1615 CONECT 1612 1611 1613 CONECT 1613 1612 CONECT 1614 1611 CONECT 1615 1611 CONECT 1616 1503 CONECT 1617 1502 CONECT 1618 1499 1619 1629 1630 CONECT 1619 1618 1620 1624 1628 CONECT 1620 1619 1621 1622 1623 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1619 1625 1626 1627 CONECT 1625 1624 CONECT 1626 1624 CONECT 1627 1624 CONECT 1628 1619 CONECT 1629 1618 CONECT 1630 1618 CONECT 1631 1499 CONECT 1632 1498 CONECT 1633 1495 1634 1649 1650 CONECT 1634 1633 1635 1647 1648 CONECT 1635 1634 1636 1645 1646 CONECT 1636 1635 1637 1644 CONECT 1637 1636 1638 1641 CONECT 1638 1637 1639 1640 CONECT 1639 1638 CONECT 1640 1638 CONECT 1641 1637 1642 1643 CONECT 1642 1641 CONECT 1643 1641 CONECT 1644 1636 CONECT 1645 1635 CONECT 1646 1635 CONECT 1647 1634 CONECT 1648 1634 CONECT 1649 1633 CONECT 1650 1633 CONECT 1651 1495 CONECT 1652 1494 CONECT 1653 1491 1654 1660 1661 CONECT 1654 1653 1655 1658 1659 CONECT 1655 1490 1654 1656 1657 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1654 CONECT 1659 1654 CONECT 1660 1653 CONECT 1661 1653 CONECT 1662 1491 CONECT 1663 1487 CONECT 1664 1487 CONECT 1665 1486 CONECT 1666 1486 CONECT 1667 1486 MASTER 0 0 0 0 0 0 0 0 1666 1 186 8 END
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11-mer
3zkf
RCSB PDB
PDBbind
11-mer
4aa2
RCSB PDB
PDBbind
11-mer
4b8o
RCSB PDB
PDBbind
11-mer
4bd3
RCSB PDB
PDBbind
11-mer
4ds1
RCSB PDB
PDBbind
11-mer
4e9c
RCSB PDB
PDBbind
11-mer
4fgy
RCSB PDB
PDBbind
11-mer
4g69
RCSB PDB
PDBbind
11-mer
4ht6
RCSB PDB
PDBbind
11-mer
4htp
RCSB PDB
PDBbind
11-mer
4hyb
RCSB PDB
PDBbind
11-mer
4j7i
RCSB PDB
PDBbind
11-mer
4j8g
RCSB PDB
PDBbind
11-mer
4jjm
RCSB PDB
PDBbind
11-mer
4ln2
RCSB PDB
PDBbind
11-mer
4n7g
RCSB PDB
PDBbind
11-mer
4n7y
RCSB PDB
PDBbind
11-mer
4o3t
RCSB PDB
PDBbind
11-mer
4o62
RCSB PDB
PDBbind
11-mer
4pl6
RCSB PDB
PDBbind
11-mer
4pli
RCSB PDB
PDBbind
11-mer
4pr5
RCSB PDB
PDBbind
11-mer
4pra
RCSB PDB
PDBbind
11-mer
4prb
RCSB PDB
PDBbind
11-mer
4prd
RCSB PDB
PDBbind
11-mer
4pre
RCSB PDB
PDBbind
11-mer
4prh
RCSB PDB
PDBbind
11-mer
4pri
RCSB PDB
PDBbind
11-mer
4prn
RCSB PDB
PDBbind
11-mer
4prp
RCSB PDB
PDBbind
11-mer
4pxf
RCSB PDB
PDBbind
11-mer
4qc1
RCSB PDB
PDBbind
11-mer
4qyo
RCSB PDB
PDBbind
11-mer
4tk1
RCSB PDB
PDBbind
11-mer
4tk2
RCSB PDB
PDBbind
11-mer
4tk3
RCSB PDB
PDBbind
11-mer
4tk4
RCSB PDB
PDBbind
11-mer
4tmp
RCSB PDB
PDBbind
11-mer
4u68
RCSB PDB
PDBbind
11-mer
4u91
RCSB PDB
PDBbind
11-mer
4w5a
RCSB PDB
PDBbind
11-mer
4wph
RCSB PDB
PDBbind
11-mer
4x6s
RCSB PDB
PDBbind
11-mer
4xc2
RCSB PDB
PDBbind
11-mer
4yje
RCSB PDB
PDBbind
11-mer
4yk6
RCSB PDB
PDBbind
11-mer
4yv9
RCSB PDB
PDBbind
11-mer
4yy6
RCSB PDB
PDBbind
11-mer
4yyi
RCSB PDB
PDBbind
11-mer
4yym
RCSB PDB
PDBbind
11-mer
4yyn
RCSB PDB
PDBbind
11-mer
5a0e
RCSB PDB
PDBbind
11-mer
5agu
RCSB PDB
PDBbind
11-mer
5agv
RCSB PDB
PDBbind
11-mer
5ah2
RCSB PDB
PDBbind
11-mer
5awt
RCSB PDB
PDBbind
11-mer
5awu
RCSB PDB
PDBbind
11-mer
5b6c
RCSB PDB
PDBbind
11-mer
5c6v
RCSB PDB
PDBbind
11-mer
5c7e
RCSB PDB
PDBbind
11-mer
5c7f
RCSB PDB
PDBbind
11-mer
5csz
RCSB PDB
PDBbind
11-mer
5dah
RCSB PDB
PDBbind
11-mer
5ewz
RCSB PDB
PDBbind
11-mer
5ez0
RCSB PDB
PDBbind
11-mer
5hpm
RCSB PDB
PDBbind
11-mer
5ick
RCSB PDB
PDBbind
11-mer
5id0
RCSB PDB
PDBbind
11-mer
5igq
RCSB PDB
PDBbind
11-mer
5jin
RCSB PDB
PDBbind
11-mer
5jiy
RCSB PDB
PDBbind
11-mer
5jm4
RCSB PDB
PDBbind
11-mer
5kez
RCSB PDB
PDBbind
11-mer
5l3f
RCSB PDB
PDBbind
11-mer
5l3g
RCSB PDB
PDBbind
11-mer
5lgq
RCSB PDB
PDBbind
11-mer
5mlw
RCSB PDB
PDBbind
11-mer
5nne
RCSB PDB
PDBbind
11-mer
5svx
RCSB PDB
PDBbind
11-mer
5svy
RCSB PDB
PDBbind
11-mer
5tdr
RCSB PDB
PDBbind
11-mer
5tdw
RCSB PDB
PDBbind
11-mer
5tq1
RCSB PDB
PDBbind
11-mer
5tqs
RCSB PDB
PDBbind
11-mer
5vlk
RCSB PDB
PDBbind
11-mer
5xhz
RCSB PDB
PDBbind
11-mer
5ygd
RCSB PDB
PDBbind
11-mer
6au5
RCSB PDB
PDBbind
11-mer
6axj
RCSB PDB
PDBbind
11-mer
6axp
RCSB PDB
PDBbind
11-mer
6ayn
RCSB PDB
PDBbind
11-mer
6azk
RCSB PDB
PDBbind
11-mer
6azl
RCSB PDB
PDBbind
11-mer
6ct7
RCSB PDB
PDBbind
11-mer
6g0q
RCSB PDB
PDBbind
11-mer
6qzr
RCSB PDB
PDBbind
11-mer
6qtw
RCSB PDB
PDBbind
11-mer
6qs1
RCSB PDB
PDBbind
11-mer
6om2
RCSB PDB
PDBbind
11-mer
6i5n
RCSB PDB
PDBbind
11-mer
6i5j
RCSB PDB
PDBbind
11-mer
6i4x
RCSB PDB
PDBbind
11-mer
6hks
RCSB PDB
PDBbind
11-mer
6gy5
RCSB PDB
PDBbind
11-mer
6g8q
RCSB PDB
PDBbind
11-mer
6g8p
RCSB PDB
PDBbind
11-mer
6g8l
RCSB PDB
PDBbind
11-mer
6g8k
RCSB PDB
PDBbind
11-mer
6g8j
RCSB PDB
PDBbind
11-mer
6g8i
RCSB PDB
PDBbind
11-mer
6g6x
RCSB PDB
PDBbind
11-mer
Entry Information
PDB ID
1om2
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
rat Tom20(translocases of outer mitochondrial membranes)
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=20uM
Release Year
2000
Protein/NA Sequence
Check fasta file
Primary Reference
(2000) Cell(Cambridge,Mass.) Vol. 100: pp. 551-560
Ligand Properties
Formula
C
5
5
H
9
6
N
1
7
O
1
5
Molecular Weight
1235.460
Exact Mass
1234.730
No. of atoms
183
No. of bonds
184
Polar Surface Area
539.86
LOGP Value
0.17 (
Computed with XLOGP3
)
-3.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 13
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 50
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 2
Canonical SMILES
[NH3+]CC(=O)N1CCC[C@H]1C(=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)N[C@H](C(=O)O)C)Cc1ccc(cc1)O)CO)CC(C)C)CC(C)C)CCC[NH+]=C(N)N)CO)CC(C)C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C55H93N17O15/c1-28(2)21-36(47(80)68-38(23-30(5)6)49(82)71-41(27-74)51(84)69-39(46(79)63-31(7)53(86)87)24-32-14-16-33(75)17-15-32)66-44(77)34(11-8-18-61-54(57)58)64-50(83)40(26-73)70-48(81)37(22-29(3)4)67-45(78)35(12-9-19-62-55(59)60)65-52(85)42-13-10-20-72(42)43(76)25-56/h14-17,28-31,34-42,73-75H,8-13,18-27,56H2,1-7H3,(H,63,79)(H,64,83)(H,65,85)(H,66,77)(H,67,78)(H,68,80)(H,69,84)(H,70,81)(H,71,82)(H,86,87)(H4,57,58,61)(H4,59,60,62)/p+3/t31-,34-,35-,36-,37-,38-,39-,40-,41-,42-/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):
P11884
Q62760
Entrez Gene ID
NCBI Entrez Gene ID:
29539
266601
ASD
Information of known allosteric effects of PDB entries
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