Browse entries in the PDBbind-CN Database
HEADER 1D4W_COMPLEX COMPND 1D4W_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 MET ASP ALA VAL ALA VAL TYR HIS GLY LYS ILE SER ARG SEQRES 2 A 104 GLU THR GLY GLU LYS LEU LEU LEU ALA THR GLY LEU ASP SEQRES 3 A 104 GLY SER TYR LEU LEU ARG ASP SER GLU SER VAL PRO GLY SEQRES 4 A 104 VAL TYR CYS LEU CYS VAL LEU TYR HIS GLY TYR ILE TYR SEQRES 5 A 104 THR TYR ARG VAL SER GLN THR GLU THR GLY SER TRP SER SEQRES 6 A 104 ALA GLU THR ALA PRO GLY VAL HIS LYS ARG TYR PHE ARG SEQRES 7 A 104 LYS ILE LYS ASN LEU ILE SER ALA PHE GLN LYS PRO ASP SEQRES 8 A 104 GLN GLY ILE VAL ILE PRO LEU GLN TYR PRO VAL GLU LYS HET SER A 324 172 ATOM 1 N MET A 1 26.051 1.884 4.655 1.00 75.27 N ATOM 2 CA MET A 1 26.337 1.944 6.089 1.00 45.03 C ATOM 3 C MET A 1 26.581 0.552 6.670 1.00 43.57 C ATOM 4 O MET A 1 25.929 0.042 7.583 1.00 33.93 O ATOM 5 CB MET A 1 25.200 2.658 6.801 1.00 54.57 C ATOM 6 CG MET A 1 23.796 2.133 6.546 1.00 50.47 C ATOM 7 SD MET A 1 22.753 2.454 7.994 1.00 41.53 S ATOM 8 CE MET A 1 21.273 3.077 7.197 1.00155.29 C ATOM 9 HA MET A 1 27.256 2.509 6.243 1.00 0.00 H ATOM 10 HB2 MET A 1 25.388 2.592 7.873 1.00 0.00 H ATOM 11 HB3 MET A 1 25.223 3.704 6.494 1.00 0.00 H ATOM 12 HG2 MET A 1 23.838 1.060 6.360 1.00 0.00 H ATOM 13 HG3 MET A 1 23.373 2.635 5.676 1.00 0.00 H ATOM 14 HE1 MET A 1 21.519 3.972 6.625 1.00 0.00 H ATOM 15 HE2 MET A 1 20.874 2.315 6.528 1.00 0.00 H ATOM 16 HE3 MET A 1 20.529 3.322 7.955 1.00 0.00 H ATOM 17 HN3 MET A 1 25.201 1.307 4.496 1.00 0.00 H ATOM 18 HN2 MET A 1 26.859 1.457 4.159 1.00 0.00 H ATOM 19 HN1 MET A 1 25.891 2.846 4.294 1.00 0.00 H ATOM 20 N ASP A 2 27.594 -0.082 6.091 1.00 44.61 N ATOM 21 CA ASP A 2 27.972 -1.456 6.378 1.00 49.77 C ATOM 22 C ASP A 2 28.561 -1.592 7.778 1.00 55.10 C ATOM 23 O ASP A 2 28.533 -2.688 8.341 1.00 51.41 O ATOM 24 CB ASP A 2 28.951 -1.952 5.308 1.00 47.77 C ATOM 25 CG ASP A 2 28.235 -2.173 3.984 1.00 49.73 C ATOM 26 OD1 ASP A 2 27.041 -2.544 3.981 1.00 45.75 O ATOM 27 OD2 ASP A 2 28.863 -1.967 2.929 1.00 55.87 O ATOM 28 HA ASP A 2 27.078 -2.079 6.352 1.00 0.00 H ATOM 29 HB2 ASP A 2 29.737 -1.210 5.170 1.00 0.00 H ATOM 30 HB3 ASP A 2 29.394 -2.892 5.637 1.00 0.00 H ATOM 31 H ASP A 2 28.154 0.439 5.386 1.00 0.00 H ATOM 32 N ALA A 3 29.041 -0.481 8.324 1.00 51.00 N ATOM 33 CA ALA A 3 29.652 -0.385 9.640 1.00 45.50 C ATOM 34 C ALA A 3 28.628 -0.552 10.757 1.00 35.21 C ATOM 35 O ALA A 3 28.944 -0.597 11.949 1.00 27.01 O ATOM 36 CB ALA A 3 30.360 0.953 9.807 1.00 36.20 C ATOM 37 HA ALA A 3 30.376 -1.197 9.712 1.00 0.00 H ATOM 38 HB1 ALA A 3 31.137 1.049 9.049 1.00 0.00 H ATOM 39 HB2 ALA A 3 29.638 1.761 9.693 1.00 0.00 H ATOM 40 HB3 ALA A 3 30.810 1.003 10.799 1.00 0.00 H ATOM 41 H ALA A 3 28.974 0.393 7.764 1.00 0.00 H ATOM 42 N VAL A 4 27.369 -0.633 10.344 1.00 21.02 N ATOM 43 CA VAL A 4 26.317 -0.923 11.313 1.00 26.21 C ATOM 44 C VAL A 4 26.169 -2.430 11.334 1.00 27.50 C ATOM 45 O VAL A 4 25.710 -3.004 10.356 1.00 21.87 O ATOM 46 CB VAL A 4 25.015 -0.196 10.937 1.00 22.79 C ATOM 47 CG1 VAL A 4 23.884 -0.528 11.884 1.00 24.37 C ATOM 48 CG2 VAL A 4 25.283 1.310 10.934 1.00 23.05 C ATOM 49 HA VAL A 4 26.566 -0.562 12.311 1.00 0.00 H ATOM 50 HB VAL A 4 24.703 -0.529 9.947 1.00 0.00 H ATOM 51 HG11 VAL A 4 23.694 -1.601 11.859 1.00 0.00 H ATOM 52 HG12 VAL A 4 24.160 -0.230 12.896 1.00 0.00 H ATOM 53 HG13 VAL A 4 22.986 0.009 11.578 1.00 0.00 H ATOM 54 HG21 VAL A 4 25.610 1.621 11.926 1.00 0.00 H ATOM 55 HG22 VAL A 4 26.061 1.538 10.205 1.00 0.00 H ATOM 56 HG23 VAL A 4 24.368 1.840 10.669 1.00 0.00 H ATOM 57 H VAL A 4 27.135 -0.491 9.341 1.00 0.00 H ATOM 58 N ALA A 5 26.582 -3.093 12.408 1.00 23.67 N ATOM 59 CA ALA A 5 26.600 -4.560 12.375 1.00 26.01 C ATOM 60 C ALA A 5 25.201 -5.118 12.221 1.00 20.30 C ATOM 61 O ALA A 5 24.962 -6.171 11.620 1.00 15.00 O ATOM 62 CB ALA A 5 27.274 -5.084 13.642 1.00 23.83 C ATOM 63 HA ALA A 5 27.172 -4.893 11.509 1.00 0.00 H ATOM 64 HB1 ALA A 5 28.295 -4.706 13.691 1.00 0.00 H ATOM 65 HB2 ALA A 5 26.717 -4.744 14.515 1.00 0.00 H ATOM 66 HB3 ALA A 5 27.289 -6.174 13.620 1.00 0.00 H ATOM 67 H ALA A 5 26.888 -2.580 13.260 1.00 0.00 H ATOM 68 N VAL A 6 24.230 -4.389 12.806 1.00 17.70 N ATOM 69 CA VAL A 6 22.875 -4.905 12.727 1.00 15.53 C ATOM 70 C VAL A 6 22.215 -4.608 11.381 1.00 14.73 C ATOM 71 O VAL A 6 21.088 -5.099 11.180 1.00 18.64 O ATOM 72 CB VAL A 6 21.926 -4.352 13.819 1.00 24.40 C ATOM 73 CG1 VAL A 6 22.321 -4.884 15.185 1.00 19.63 C ATOM 74 CG2 VAL A 6 21.904 -2.828 13.793 1.00 16.98 C ATOM 75 HA VAL A 6 23.007 -5.977 12.870 1.00 0.00 H ATOM 76 HB VAL A 6 20.913 -4.697 13.609 1.00 0.00 H ATOM 77 HG11 VAL A 6 22.261 -5.972 15.181 1.00 0.00 H ATOM 78 HG12 VAL A 6 23.341 -4.576 15.412 1.00 0.00 H ATOM 79 HG13 VAL A 6 21.643 -4.484 15.939 1.00 0.00 H ATOM 80 HG21 VAL A 6 22.910 -2.448 13.974 1.00 0.00 H ATOM 81 HG22 VAL A 6 21.556 -2.488 12.818 1.00 0.00 H ATOM 82 HG23 VAL A 6 21.231 -2.462 14.568 1.00 0.00 H ATOM 83 H VAL A 6 24.442 -3.495 13.293 1.00 0.00 H ATOM 84 N TYR A 7 22.862 -3.875 10.491 1.00 12.12 N ATOM 85 CA TYR A 7 22.266 -3.560 9.179 1.00 15.91 C ATOM 86 C TYR A 7 22.451 -4.680 8.166 1.00 20.15 C ATOM 87 O TYR A 7 23.584 -5.044 7.862 1.00 18.88 O ATOM 88 CB TYR A 7 22.871 -2.299 8.576 1.00 15.93 C ATOM 89 CG TYR A 7 22.406 -1.996 7.165 1.00 24.10 C ATOM 90 CD1 TYR A 7 21.055 -1.848 6.859 1.00 14.38 C ATOM 91 CD2 TYR A 7 23.322 -1.850 6.134 1.00 22.43 C ATOM 92 CE1 TYR A 7 20.671 -1.569 5.555 1.00 17.11 C ATOM 93 CE2 TYR A 7 22.936 -1.573 4.831 1.00 28.32 C ATOM 94 CZ TYR A 7 21.596 -1.434 4.546 1.00 23.70 C ATOM 95 OH TYR A 7 21.183 -1.152 3.262 1.00 14.38 O ATOM 96 HA TYR A 7 21.203 -3.420 9.377 1.00 0.00 H ATOM 97 HB3 TYR A 7 23.955 -2.414 8.561 1.00 0.00 H ATOM 98 HB2 TYR A 7 22.605 -1.455 9.212 1.00 0.00 H ATOM 99 HD2 TYR A 7 24.384 -1.957 6.356 1.00 0.00 H ATOM 100 HE2 TYR A 7 23.683 -1.467 4.044 1.00 0.00 H ATOM 101 HE1 TYR A 7 19.612 -1.454 5.325 1.00 0.00 H ATOM 102 HD1 TYR A 7 20.302 -1.951 7.641 1.00 0.00 H ATOM 103 HH TYR A 7 20.195 -1.087 3.241 1.00 0.00 H ATOM 104 H TYR A 7 23.810 -3.513 10.720 1.00 0.00 H ATOM 105 N HIS A 8 21.353 -5.195 7.659 1.00 14.03 N ATOM 106 CA HIS A 8 21.285 -6.251 6.680 1.00 18.84 C ATOM 107 C HIS A 8 20.756 -5.650 5.369 1.00 25.63 C ATOM 108 O HIS A 8 19.549 -5.529 5.153 1.00 17.02 O ATOM 109 CB HIS A 8 20.380 -7.381 7.149 1.00 14.38 C ATOM 110 CG HIS A 8 20.838 -8.145 8.350 1.00 15.19 C ATOM 111 ND1 HIS A 8 20.973 -7.613 9.606 1.00 19.86 N ATOM 112 CD2 HIS A 8 21.210 -9.452 8.454 1.00 17.07 C ATOM 113 CE1 HIS A 8 21.399 -8.546 10.438 1.00 25.00 C ATOM 114 NE2 HIS A 8 21.548 -9.679 9.763 1.00 22.46 N ATOM 115 HA HIS A 8 22.278 -6.675 6.531 1.00 0.00 H ATOM 116 HB2 HIS A 8 19.405 -6.951 7.381 1.00 0.00 H ATOM 117 HB3 HIS A 8 20.277 -8.088 6.325 1.00 0.00 H ATOM 118 HD2 HIS A 8 21.234 -10.182 7.645 1.00 0.00 H ATOM 119 HE1 HIS A 8 21.595 -8.409 11.501 1.00 0.00 H ATOM 120 H HIS A 8 20.450 -4.804 7.995 1.00 0.00 H ATOM 121 N GLY A 9 21.681 -5.268 4.509 1.00 18.13 N ATOM 122 CA GLY A 9 21.382 -4.548 3.296 1.00 20.14 C ATOM 123 C GLY A 9 20.880 -5.393 2.162 1.00 15.18 C ATOM 124 O GLY A 9 20.530 -4.888 1.083 1.00 18.83 O ATOM 125 HA3 GLY A 9 22.292 -4.047 2.967 1.00 0.00 H ATOM 126 HA2 GLY A 9 20.621 -3.802 3.525 1.00 0.00 H ATOM 127 H GLY A 9 22.674 -5.497 4.716 1.00 0.00 H ATOM 128 N LYS A 10 20.793 -6.720 2.326 1.00 14.31 N ATOM 129 CA LYS A 10 20.320 -7.445 1.133 1.00 13.08 C ATOM 130 C LYS A 10 19.066 -8.230 1.425 1.00 27.27 C ATOM 131 O LYS A 10 18.543 -8.990 0.598 1.00 25.48 O ATOM 132 CB LYS A 10 21.465 -8.325 0.606 1.00 31.68 C ATOM 133 CG LYS A 10 22.422 -7.478 -0.233 1.00 40.72 C ATOM 134 CD LYS A 10 23.697 -8.219 -0.590 1.00 57.40 C ATOM 135 CE LYS A 10 24.526 -7.426 -1.593 1.00 67.96 C ATOM 136 NZ LYS A 10 25.978 -7.759 -1.511 1.00 74.24 N ATOM 137 HA LYS A 10 20.043 -6.735 0.353 1.00 0.00 H ATOM 138 HB2 LYS A 10 22.006 -8.758 1.447 1.00 0.00 H ATOM 139 HB3 LYS A 10 21.054 -9.125 -0.010 1.00 0.00 H ATOM 140 HG2 LYS A 10 21.916 -7.189 -1.154 1.00 0.00 H ATOM 141 HG3 LYS A 10 22.684 -6.584 0.332 1.00 0.00 H ATOM 142 HD2 LYS A 10 24.285 -8.375 0.315 1.00 0.00 H ATOM 143 HD3 LYS A 10 23.439 -9.185 -1.025 1.00 0.00 H ATOM 144 HE2 LYS A 10 24.397 -6.362 -1.392 1.00 0.00 H ATOM 145 HE3 LYS A 10 24.170 -7.650 -2.599 1.00 0.00 H ATOM 146 HZ1 LYS A 10 26.329 -7.541 -0.557 1.00 0.00 H ATOM 147 HZ2 LYS A 10 26.112 -8.771 -1.708 1.00 0.00 H ATOM 148 HZ3 LYS A 10 26.502 -7.196 -2.211 1.00 0.00 H ATOM 149 H LYS A 10 21.038 -7.197 3.217 1.00 0.00 H ATOM 150 N ILE A 11 18.525 -8.052 2.636 1.00 16.47 N ATOM 151 CA ILE A 11 17.365 -8.877 2.965 1.00 15.33 C ATOM 152 C ILE A 11 16.041 -8.169 2.728 1.00 23.41 C ATOM 153 O ILE A 11 15.920 -6.945 2.761 1.00 22.63 O ATOM 154 CB ILE A 11 17.364 -9.341 4.433 1.00 21.01 C ATOM 155 CG1 ILE A 11 17.151 -8.213 5.447 1.00 17.93 C ATOM 156 CG2 ILE A 11 18.629 -10.146 4.686 1.00 21.32 C ATOM 157 CD1 ILE A 11 17.104 -8.663 6.893 1.00 9.79 C ATOM 158 HA ILE A 11 17.456 -9.731 2.294 1.00 0.00 H ATOM 159 HB ILE A 11 16.494 -9.979 4.590 1.00 0.00 H ATOM 160 HG12 ILE A 11 17.969 -7.500 5.339 1.00 0.00 H ATOM 161 HG13 ILE A 11 16.207 -7.720 5.214 1.00 0.00 H ATOM 162 HD11 ILE A 11 16.283 -9.367 7.027 1.00 0.00 H ATOM 163 HD12 ILE A 11 18.045 -9.147 7.152 1.00 0.00 H ATOM 164 HD13 ILE A 11 16.950 -7.797 7.537 1.00 0.00 H ATOM 165 HG21 ILE A 11 18.647 -11.010 4.022 1.00 0.00 H ATOM 166 HG22 ILE A 11 19.501 -9.521 4.494 1.00 0.00 H ATOM 167 HG23 ILE A 11 18.643 -10.482 5.723 1.00 0.00 H ATOM 168 H ILE A 11 18.911 -7.360 3.310 1.00 0.00 H ATOM 169 N SER A 12 15.064 -9.035 2.489 1.00 14.05 N ATOM 170 CA SER A 12 13.671 -8.644 2.371 1.00 10.43 C ATOM 171 C SER A 12 12.987 -8.548 3.735 1.00 12.69 C ATOM 172 O SER A 12 13.529 -8.952 4.759 1.00 19.23 O ATOM 173 CB SER A 12 12.928 -9.713 1.543 1.00 19.22 C ATOM 174 OG SER A 12 12.879 -10.875 2.388 1.00 18.64 O ATOM 175 HA SER A 12 13.638 -7.664 1.895 1.00 0.00 H ATOM 176 HB2 SER A 12 13.471 -9.931 0.623 1.00 0.00 H ATOM 177 HB3 SER A 12 11.921 -9.375 1.297 1.00 0.00 H ATOM 178 HG SER A 12 12.411 -11.607 1.914 1.00 0.00 H ATOM 179 H SER A 12 15.308 -10.040 2.381 1.00 0.00 H ATOM 180 N ARG A 13 11.767 -8.027 3.747 1.00 13.77 N ATOM 181 CA ARG A 13 10.995 -7.931 4.971 1.00 14.34 C ATOM 182 C ARG A 13 10.747 -9.317 5.563 1.00 14.67 C ATOM 183 O ARG A 13 10.910 -9.534 6.757 1.00 18.87 O ATOM 184 CB ARG A 13 9.665 -7.203 4.697 1.00 12.40 C ATOM 185 CG ARG A 13 8.634 -7.545 5.785 1.00 20.95 C ATOM 186 CD ARG A 13 7.354 -6.757 5.576 1.00 23.81 C ATOM 187 NE ARG A 13 6.471 -7.363 4.598 1.00 36.95 N ATOM 188 CZ ARG A 13 5.151 -7.193 4.612 1.00 60.82 C ATOM 189 NH1 ARG A 13 4.544 -6.450 5.532 1.00 33.42 N ATOM 190 NH2 ARG A 13 4.404 -7.779 3.681 1.00102.55 N ATOM 191 HA ARG A 13 11.563 -7.354 5.701 1.00 0.00 H ATOM 192 HB2 ARG A 13 9.839 -6.127 4.691 1.00 0.00 H ATOM 193 HB3 ARG A 13 9.279 -7.513 3.726 1.00 0.00 H ATOM 194 HG2 ARG A 13 8.409 -8.611 5.744 1.00 0.00 H ATOM 195 HG3 ARG A 13 9.050 -7.300 6.762 1.00 0.00 H ATOM 196 HD2 ARG A 13 7.614 -5.755 5.236 1.00 0.00 H ATOM 197 HD3 ARG A 13 6.827 -6.691 6.528 1.00 0.00 H ATOM 198 HE ARG A 13 6.888 -7.957 3.853 1.00 0.00 H ATOM 199 HH12 ARG A 13 3.510 -6.339 5.512 1.00 0.00 H ATOM 200 HH11 ARG A 13 5.103 -5.979 6.272 1.00 0.00 H ATOM 201 HH22 ARG A 13 3.372 -7.651 3.686 1.00 0.00 H ATOM 202 HH21 ARG A 13 4.852 -8.366 2.948 1.00 0.00 H ATOM 203 H ARG A 13 11.355 -7.679 2.858 1.00 0.00 H ATOM 204 N GLU A 14 10.346 -10.265 4.714 1.00 18.83 N ATOM 205 CA GLU A 14 10.097 -11.648 5.110 1.00 16.18 C ATOM 206 C GLU A 14 11.339 -12.278 5.733 1.00 15.47 C ATOM 207 O GLU A 14 11.242 -12.945 6.765 1.00 21.87 O ATOM 208 CB GLU A 14 9.657 -12.459 3.889 1.00 24.65 C ATOM 209 CG GLU A 14 9.138 -13.851 4.164 1.00 33.83 C ATOM 210 CD GLU A 14 8.553 -14.544 2.946 1.00 51.32 C ATOM 211 OE1 GLU A 14 8.293 -13.898 1.910 1.00 60.19 O ATOM 212 OE2 GLU A 14 8.343 -15.777 3.011 1.00 76.25 O ATOM 213 HA GLU A 14 9.306 -11.653 5.860 1.00 0.00 H ATOM 214 HB2 GLU A 14 8.866 -11.902 3.387 1.00 0.00 H ATOM 215 HB3 GLU A 14 10.515 -12.549 3.223 1.00 0.00 H ATOM 216 HG2 GLU A 14 9.963 -14.456 4.540 1.00 0.00 H ATOM 217 HG3 GLU A 14 8.362 -13.783 4.926 1.00 0.00 H ATOM 218 H GLU A 14 10.203 -10.005 3.717 1.00 0.00 H ATOM 219 N THR A 15 12.485 -12.043 5.096 1.00 15.79 N ATOM 220 CA THR A 15 13.765 -12.556 5.603 1.00 22.24 C ATOM 221 C THR A 15 14.038 -11.892 6.946 1.00 21.56 C ATOM 222 O THR A 15 14.399 -12.617 7.879 1.00 19.95 O ATOM 223 CB THR A 15 14.932 -12.341 4.627 1.00 26.09 C ATOM 224 OG1 THR A 15 14.684 -13.086 3.420 1.00 30.40 O ATOM 225 CG2 THR A 15 16.263 -12.871 5.146 1.00 16.97 C ATOM 226 HA THR A 15 13.686 -13.637 5.718 1.00 0.00 H ATOM 227 HB THR A 15 14.995 -11.263 4.479 1.00 0.00 H ATOM 228 HG1 THR A 15 15.435 -12.949 2.789 1.00 0.00 H ATOM 229 HG23 THR A 15 16.525 -12.352 6.068 1.00 0.00 H ATOM 230 HG21 THR A 15 16.176 -13.940 5.341 1.00 0.00 H ATOM 231 HG22 THR A 15 17.037 -12.699 4.398 1.00 0.00 H ATOM 232 H THR A 15 12.473 -11.483 4.219 1.00 0.00 H ATOM 233 N GLY A 16 13.832 -10.580 7.032 1.00 14.27 N ATOM 234 CA GLY A 16 13.913 -9.914 8.332 1.00 14.80 C ATOM 235 C GLY A 16 13.041 -10.553 9.392 1.00 16.59 C ATOM 236 O GLY A 16 13.493 -10.823 10.512 1.00 16.27 O ATOM 237 HA3 GLY A 16 13.603 -8.876 8.209 1.00 0.00 H ATOM 238 HA2 GLY A 16 14.948 -9.944 8.672 1.00 0.00 H ATOM 239 H GLY A 16 13.614 -10.029 6.177 1.00 0.00 H ATOM 240 N GLU A 17 11.769 -10.844 9.136 1.00 14.52 N ATOM 241 CA GLU A 17 10.927 -11.517 10.122 1.00 16.05 C ATOM 242 C GLU A 17 11.455 -12.888 10.510 1.00 19.44 C ATOM 243 O GLU A 17 11.472 -13.292 11.673 1.00 13.92 O ATOM 244 CB GLU A 17 9.488 -11.633 9.584 1.00 18.46 C ATOM 245 CG GLU A 17 8.916 -10.314 9.081 1.00 12.45 C ATOM 246 CD GLU A 17 7.546 -10.485 8.459 1.00 26.98 C ATOM 247 OE1 GLU A 17 7.073 -11.620 8.306 1.00 23.20 O ATOM 248 OE2 GLU A 17 6.906 -9.477 8.092 1.00 21.17 O ATOM 249 HA GLU A 17 10.939 -10.909 11.027 1.00 0.00 H ATOM 250 HB2 GLU A 17 9.484 -12.347 8.760 1.00 0.00 H ATOM 251 HB3 GLU A 17 8.849 -12.002 10.386 1.00 0.00 H ATOM 252 HG2 GLU A 17 8.837 -9.623 9.920 1.00 0.00 H ATOM 253 HG3 GLU A 17 9.592 -9.900 8.333 1.00 0.00 H ATOM 254 H GLU A 17 11.364 -10.587 8.213 1.00 0.00 H ATOM 255 N LYS A 18 11.920 -13.698 9.546 1.00 24.94 N ATOM 256 CA LYS A 18 12.394 -15.034 9.917 1.00 22.12 C ATOM 257 C LYS A 18 13.650 -14.996 10.781 1.00 18.62 C ATOM 258 O LYS A 18 13.819 -15.809 11.685 1.00 27.61 O ATOM 259 CB LYS A 18 12.686 -15.867 8.660 1.00 20.93 C ATOM 260 CG LYS A 18 11.453 -16.150 7.814 1.00 32.62 C ATOM 261 CD LYS A 18 11.835 -17.109 6.691 1.00 60.47 C ATOM 262 CE LYS A 18 10.757 -17.202 5.618 1.00 71.28 C ATOM 263 NZ LYS A 18 11.344 -17.205 4.246 1.00 65.66 N ATOM 264 HA LYS A 18 11.595 -15.490 10.501 1.00 0.00 H ATOM 265 HB2 LYS A 18 13.407 -15.325 8.048 1.00 0.00 H ATOM 266 HB3 LYS A 18 13.117 -16.819 8.970 1.00 0.00 H ATOM 267 HG2 LYS A 18 10.679 -16.602 8.434 1.00 0.00 H ATOM 268 HG3 LYS A 18 11.079 -15.219 7.389 1.00 0.00 H ATOM 269 HD2 LYS A 18 12.759 -16.760 6.231 1.00 0.00 H ATOM 270 HD3 LYS A 18 11.994 -18.100 7.115 1.00 0.00 H ATOM 271 HE2 LYS A 18 10.087 -16.347 5.714 1.00 0.00 H ATOM 272 HE3 LYS A 18 10.192 -18.123 5.763 1.00 0.00 H ATOM 273 HZ1 LYS A 18 11.880 -16.326 4.098 1.00 0.00 H ATOM 274 HZ2 LYS A 18 11.980 -18.022 4.144 1.00 0.00 H ATOM 275 HZ3 LYS A 18 10.580 -17.269 3.543 1.00 0.00 H ATOM 276 H LYS A 18 11.943 -13.383 8.555 1.00 0.00 H ATOM 277 N LEU A 19 14.558 -14.054 10.522 1.00 11.56 N ATOM 278 CA LEU A 19 15.760 -13.957 11.332 1.00 16.70 C ATOM 279 C LEU A 19 15.412 -13.623 12.774 1.00 19.45 C ATOM 280 O LEU A 19 15.970 -14.205 13.709 1.00 19.83 O ATOM 281 CB LEU A 19 16.709 -12.900 10.762 1.00 17.36 C ATOM 282 CG LEU A 19 17.559 -13.293 9.562 1.00 20.58 C ATOM 283 CD1 LEU A 19 18.001 -12.049 8.817 1.00 21.76 C ATOM 284 CD2 LEU A 19 18.783 -14.082 9.993 1.00 21.01 C ATOM 285 HA LEU A 19 16.261 -14.925 11.311 1.00 0.00 H ATOM 286 HB2 LEU A 19 16.104 -12.043 10.467 1.00 0.00 H ATOM 287 HB3 LEU A 19 17.389 -12.606 11.562 1.00 0.00 H ATOM 288 HG LEU A 19 16.953 -13.922 8.909 1.00 0.00 H ATOM 289 HD21 LEU A 19 19.388 -13.473 10.665 1.00 0.00 H ATOM 290 HD22 LEU A 19 18.466 -14.989 10.508 1.00 0.00 H ATOM 291 HD23 LEU A 19 19.370 -14.348 9.114 1.00 0.00 H ATOM 292 HD11 LEU A 19 17.123 -11.501 8.474 1.00 0.00 H ATOM 293 HD12 LEU A 19 18.588 -11.417 9.484 1.00 0.00 H ATOM 294 HD13 LEU A 19 18.609 -12.337 7.959 1.00 0.00 H ATOM 295 H LEU A 19 14.405 -13.387 9.738 1.00 0.00 H ATOM 296 N LEU A 20 14.491 -12.672 12.927 1.00 18.68 N ATOM 297 CA LEU A 20 14.130 -12.236 14.285 1.00 19.33 C ATOM 298 C LEU A 20 13.389 -13.345 15.011 1.00 16.92 C ATOM 299 O LEU A 20 13.670 -13.677 16.162 1.00 20.05 O ATOM 300 CB LEU A 20 13.298 -10.951 14.195 1.00 17.32 C ATOM 301 CG LEU A 20 14.134 -9.717 13.799 1.00 18.23 C ATOM 302 CD1 LEU A 20 13.263 -8.472 13.710 1.00 15.06 C ATOM 303 CD2 LEU A 20 15.270 -9.512 14.799 1.00 16.16 C ATOM 304 HA LEU A 20 15.029 -12.020 14.862 1.00 0.00 H ATOM 305 HB2 LEU A 20 12.516 -11.095 13.449 1.00 0.00 H ATOM 306 HB3 LEU A 20 12.841 -10.764 15.167 1.00 0.00 H ATOM 307 HG LEU A 20 14.563 -9.893 12.812 1.00 0.00 H ATOM 308 HD21 LEU A 20 14.853 -9.359 15.794 1.00 0.00 H ATOM 309 HD22 LEU A 20 15.911 -10.393 14.804 1.00 0.00 H ATOM 310 HD23 LEU A 20 15.854 -8.638 14.510 1.00 0.00 H ATOM 311 HD11 LEU A 20 12.488 -8.625 12.959 1.00 0.00 H ATOM 312 HD12 LEU A 20 12.800 -8.284 14.679 1.00 0.00 H ATOM 313 HD13 LEU A 20 13.880 -7.618 13.429 1.00 0.00 H ATOM 314 H LEU A 20 14.033 -12.244 12.097 1.00 0.00 H ATOM 315 N LEU A 21 12.416 -13.911 14.286 1.00 17.51 N ATOM 316 CA LEU A 21 11.632 -14.968 14.921 1.00 15.84 C ATOM 317 C LEU A 21 12.567 -16.101 15.336 1.00 24.44 C ATOM 318 O LEU A 21 12.393 -16.731 16.382 1.00 24.18 O ATOM 319 CB LEU A 21 10.495 -15.467 14.038 1.00 22.45 C ATOM 320 CG LEU A 21 9.313 -14.495 13.851 1.00 22.77 C ATOM 321 CD1 LEU A 21 8.627 -14.768 12.520 1.00 21.95 C ATOM 322 CD2 LEU A 21 8.346 -14.592 15.014 1.00 22.12 C ATOM 323 HA LEU A 21 11.151 -14.554 15.807 1.00 0.00 H ATOM 324 HB2 LEU A 21 10.908 -15.685 13.053 1.00 0.00 H ATOM 325 HB3 LEU A 21 10.107 -16.385 14.480 1.00 0.00 H ATOM 326 HG LEU A 21 9.690 -13.472 13.834 1.00 0.00 H ATOM 327 HD21 LEU A 21 7.958 -15.609 15.079 1.00 0.00 H ATOM 328 HD22 LEU A 21 8.865 -14.340 15.939 1.00 0.00 H ATOM 329 HD23 LEU A 21 7.521 -13.897 14.858 1.00 0.00 H ATOM 330 HD11 LEU A 21 9.342 -14.628 11.709 1.00 0.00 H ATOM 331 HD12 LEU A 21 8.257 -15.793 12.507 1.00 0.00 H ATOM 332 HD13 LEU A 21 7.793 -14.078 12.394 1.00 0.00 H ATOM 333 H LEU A 21 12.226 -13.610 13.309 1.00 0.00 H ATOM 334 N ALA A 22 13.611 -16.351 14.551 1.00 16.58 N ATOM 335 CA ALA A 22 14.481 -17.480 14.892 1.00 22.06 C ATOM 336 C ALA A 22 15.135 -17.278 16.249 1.00 25.09 C ATOM 337 O ALA A 22 15.626 -18.237 16.847 1.00 25.73 O ATOM 338 CB ALA A 22 15.556 -17.683 13.829 1.00 28.17 C ATOM 339 HA ALA A 22 13.855 -18.371 14.934 1.00 0.00 H ATOM 340 HB1 ALA A 22 15.082 -17.884 12.868 1.00 0.00 H ATOM 341 HB2 ALA A 22 16.165 -16.782 13.753 1.00 0.00 H ATOM 342 HB3 ALA A 22 16.187 -18.527 14.108 1.00 0.00 H ATOM 343 H ALA A 22 13.805 -15.761 13.717 1.00 0.00 H ATOM 344 N THR A 23 15.182 -16.057 16.781 1.00 26.93 N ATOM 345 CA THR A 23 15.885 -15.868 18.039 1.00 22.17 C ATOM 346 C THR A 23 15.018 -16.334 19.210 1.00 25.74 C ATOM 347 O THR A 23 15.536 -16.624 20.296 1.00 21.78 O ATOM 348 CB THR A 23 16.277 -14.404 18.312 1.00 25.06 C ATOM 349 OG1 THR A 23 15.069 -13.635 18.384 1.00 21.79 O ATOM 350 CG2 THR A 23 17.141 -13.839 17.201 1.00 19.19 C ATOM 351 HA THR A 23 16.797 -16.459 17.951 1.00 0.00 H ATOM 352 HB THR A 23 16.846 -14.359 19.240 1.00 0.00 H ATOM 353 HG1 THR A 23 14.582 -13.707 17.525 1.00 0.00 H ATOM 354 HG23 THR A 23 18.065 -14.414 17.133 1.00 0.00 H ATOM 355 HG21 THR A 23 16.602 -13.902 16.256 1.00 0.00 H ATOM 356 HG22 THR A 23 17.375 -12.797 17.419 1.00 0.00 H ATOM 357 H THR A 23 14.724 -15.254 16.305 1.00 0.00 H ATOM 358 N GLY A 24 13.713 -16.375 18.966 1.00 21.15 N ATOM 359 CA GLY A 24 12.751 -16.696 20.011 1.00 25.14 C ATOM 360 C GLY A 24 12.849 -15.764 21.204 1.00 32.15 C ATOM 361 O GLY A 24 12.477 -16.088 22.340 1.00 30.24 O ATOM 362 HA3 GLY A 24 12.931 -17.716 20.350 1.00 0.00 H ATOM 363 HA2 GLY A 24 11.746 -16.625 19.594 1.00 0.00 H ATOM 364 H GLY A 24 13.370 -16.173 18.005 1.00 0.00 H ATOM 365 N LEU A 25 13.363 -14.558 20.963 1.00 24.70 N ATOM 366 CA LEU A 25 13.737 -13.678 22.051 1.00 17.66 C ATOM 367 C LEU A 25 13.245 -12.248 21.846 1.00 19.64 C ATOM 368 O LEU A 25 13.783 -11.574 20.969 1.00 19.65 O ATOM 369 CB LEU A 25 15.268 -13.711 22.154 1.00 22.64 C ATOM 370 CG LEU A 25 15.827 -12.950 23.353 1.00 28.69 C ATOM 371 CD1 LEU A 25 14.970 -13.252 24.574 1.00 44.20 C ATOM 372 CD2 LEU A 25 17.280 -13.315 23.585 1.00 29.25 C ATOM 373 HA LEU A 25 13.268 -14.025 22.972 1.00 0.00 H ATOM 374 HB2 LEU A 25 15.584 -14.751 22.230 1.00 0.00 H ATOM 375 HB3 LEU A 25 15.682 -13.273 21.246 1.00 0.00 H ATOM 376 HG LEU A 25 15.794 -11.878 23.159 1.00 0.00 H ATOM 377 HD21 LEU A 25 17.358 -14.385 23.777 1.00 0.00 H ATOM 378 HD22 LEU A 25 17.863 -13.060 22.700 1.00 0.00 H ATOM 379 HD23 LEU A 25 17.660 -12.762 24.444 1.00 0.00 H ATOM 380 HD11 LEU A 25 13.944 -12.937 24.383 1.00 0.00 H ATOM 381 HD12 LEU A 25 14.991 -14.323 24.775 1.00 0.00 H ATOM 382 HD13 LEU A 25 15.363 -12.712 25.435 1.00 0.00 H ATOM 383 H LEU A 25 13.497 -14.245 19.980 1.00 0.00 H ATOM 384 N ASP A 26 12.268 -11.826 22.645 1.00 22.37 N ATOM 385 CA ASP A 26 11.648 -10.512 22.551 1.00 20.21 C ATOM 386 C ASP A 26 12.735 -9.462 22.679 1.00 16.82 C ATOM 387 O ASP A 26 13.642 -9.563 23.502 1.00 18.39 O ATOM 388 CB ASP A 26 10.559 -10.281 23.611 1.00 16.19 C ATOM 389 CG ASP A 26 9.257 -10.970 23.284 1.00 22.78 C ATOM 390 OD1 ASP A 26 8.438 -11.232 24.187 1.00 32.77 O ATOM 391 OD2 ASP A 26 8.998 -11.290 22.112 1.00 20.80 O ATOM 392 HA ASP A 26 11.148 -10.443 21.585 1.00 0.00 H ATOM 393 HB2 ASP A 26 10.920 -10.658 24.568 1.00 0.00 H ATOM 394 HB3 ASP A 26 10.374 -9.210 23.691 1.00 0.00 H ATOM 395 H ASP A 26 11.926 -12.475 23.382 1.00 0.00 H ATOM 396 N GLY A 27 12.687 -8.423 21.841 1.00 13.16 N ATOM 397 CA GLY A 27 13.711 -7.398 22.029 1.00 8.57 C ATOM 398 C GLY A 27 14.875 -7.583 21.066 1.00 18.16 C ATOM 399 O GLY A 27 15.712 -6.672 21.043 1.00 17.63 O ATOM 400 HA3 GLY A 27 14.085 -7.455 23.051 1.00 0.00 H ATOM 401 HA2 GLY A 27 13.265 -6.418 21.861 1.00 0.00 H ATOM 402 H GLY A 27 11.963 -8.348 21.098 1.00 0.00 H ATOM 403 N SER A 28 14.890 -8.696 20.327 1.00 13.31 N ATOM 404 CA SER A 28 15.900 -8.869 19.275 1.00 17.42 C ATOM 405 C SER A 28 15.599 -7.939 18.106 1.00 17.17 C ATOM 406 O SER A 28 14.430 -7.765 17.761 1.00 14.95 O ATOM 407 CB SER A 28 15.972 -10.319 18.803 1.00 22.78 C ATOM 408 OG SER A 28 16.249 -11.168 19.912 1.00 24.13 O ATOM 409 HA SER A 28 16.873 -8.612 19.693 1.00 0.00 H ATOM 410 HB2 SER A 28 16.764 -10.421 18.061 1.00 0.00 H ATOM 411 HB3 SER A 28 15.019 -10.604 18.357 1.00 0.00 H ATOM 412 HG SER A 28 15.529 -11.075 20.585 1.00 0.00 H ATOM 413 H SER A 28 14.185 -9.441 20.497 1.00 0.00 H ATOM 414 N TYR A 29 16.621 -7.319 17.507 1.00 14.10 N ATOM 415 CA TYR A 29 16.322 -6.310 16.489 1.00 15.43 C ATOM 416 C TYR A 29 17.367 -6.305 15.379 1.00 12.59 C ATOM 417 O TYR A 29 18.483 -6.785 15.528 1.00 16.04 O ATOM 418 CB TYR A 29 16.267 -4.897 17.070 1.00 12.32 C ATOM 419 CG TYR A 29 17.587 -4.408 17.645 1.00 12.79 C ATOM 420 CD1 TYR A 29 18.411 -3.550 16.922 1.00 10.69 C ATOM 421 CD2 TYR A 29 18.015 -4.788 18.907 1.00 12.35 C ATOM 422 CE1 TYR A 29 19.615 -3.084 17.407 1.00 12.92 C ATOM 423 CE2 TYR A 29 19.218 -4.332 19.412 1.00 15.52 C ATOM 424 CZ TYR A 29 20.009 -3.485 18.665 1.00 19.52 C ATOM 425 OH TYR A 29 21.207 -3.027 19.169 1.00 17.76 O ATOM 426 HA TYR A 29 15.344 -6.583 16.091 1.00 0.00 H ATOM 427 HB3 TYR A 29 15.521 -4.883 17.865 1.00 0.00 H ATOM 428 HB2 TYR A 29 15.965 -4.213 16.277 1.00 0.00 H ATOM 429 HD2 TYR A 29 17.396 -5.454 19.508 1.00 0.00 H ATOM 430 HE2 TYR A 29 19.543 -4.643 20.405 1.00 0.00 H ATOM 431 HE1 TYR A 29 20.238 -2.417 16.811 1.00 0.00 H ATOM 432 HD1 TYR A 29 18.091 -3.233 15.930 1.00 0.00 H ATOM 433 HH TYR A 29 21.639 -2.435 18.504 1.00 0.00 H ATOM 434 H TYR A 29 17.604 -7.548 17.758 1.00 0.00 H ATOM 435 N LEU A 30 16.984 -5.735 14.254 1.00 12.68 N ATOM 436 CA LEU A 30 17.880 -5.494 13.133 1.00 16.92 C ATOM 437 C LEU A 30 17.423 -4.269 12.343 1.00 18.81 C ATOM 438 O LEU A 30 16.365 -3.669 12.502 1.00 11.60 O ATOM 439 CB LEU A 30 17.989 -6.731 12.229 1.00 16.81 C ATOM 440 CG LEU A 30 16.717 -7.325 11.618 1.00 16.13 C ATOM 441 CD1 LEU A 30 16.189 -6.604 10.386 1.00 15.04 C ATOM 442 CD2 LEU A 30 16.960 -8.781 11.218 1.00 15.85 C ATOM 443 HA LEU A 30 18.876 -5.295 13.529 1.00 0.00 H ATOM 444 HB2 LEU A 30 18.645 -6.464 11.401 1.00 0.00 H ATOM 445 HB3 LEU A 30 18.456 -7.518 12.821 1.00 0.00 H ATOM 446 HG LEU A 30 15.967 -7.220 12.402 1.00 0.00 H ATOM 447 HD21 LEU A 30 17.765 -8.825 10.485 1.00 0.00 H ATOM 448 HD22 LEU A 30 17.238 -9.357 12.100 1.00 0.00 H ATOM 449 HD23 LEU A 30 16.049 -9.194 10.785 1.00 0.00 H ATOM 450 HD11 LEU A 30 15.956 -5.571 10.643 1.00 0.00 H ATOM 451 HD12 LEU A 30 16.947 -6.623 9.603 1.00 0.00 H ATOM 452 HD13 LEU A 30 15.287 -7.104 10.033 1.00 0.00 H ATOM 453 H LEU A 30 15.990 -5.442 14.163 1.00 0.00 H ATOM 454 N LEU A 31 18.290 -3.898 11.396 1.00 15.66 N ATOM 455 CA LEU A 31 17.978 -2.814 10.486 1.00 12.41 C ATOM 456 C LEU A 31 18.000 -3.392 9.073 1.00 18.67 C ATOM 457 O LEU A 31 18.892 -4.217 8.856 1.00 14.96 O ATOM 458 CB LEU A 31 18.981 -1.677 10.634 1.00 14.93 C ATOM 459 CG LEU A 31 18.678 -0.373 9.885 1.00 16.87 C ATOM 460 CD1 LEU A 31 17.547 0.382 10.573 1.00 12.92 C ATOM 461 CD2 LEU A 31 19.945 0.459 9.808 1.00 21.86 C ATOM 462 HA LEU A 31 16.997 -2.394 10.707 1.00 0.00 H ATOM 463 HB2 LEU A 31 19.051 -1.437 11.695 1.00 0.00 H ATOM 464 HB3 LEU A 31 19.945 -2.042 10.281 1.00 0.00 H ATOM 465 HG LEU A 31 18.347 -0.594 8.870 1.00 0.00 H ATOM 466 HD21 LEU A 31 20.291 0.686 10.816 1.00 0.00 H ATOM 467 HD22 LEU A 31 20.714 -0.101 9.276 1.00 0.00 H ATOM 468 HD23 LEU A 31 19.737 1.388 9.277 1.00 0.00 H ATOM 469 HD11 LEU A 31 16.651 -0.239 10.584 1.00 0.00 H ATOM 470 HD12 LEU A 31 17.839 0.618 11.596 1.00 0.00 H ATOM 471 HD13 LEU A 31 17.344 1.305 10.029 1.00 0.00 H ATOM 472 H LEU A 31 19.200 -4.394 11.311 1.00 0.00 H ATOM 473 N ARG A 32 17.069 -2.965 8.223 1.00 15.95 N ATOM 474 CA ARG A 32 17.064 -3.448 6.841 1.00 13.22 C ATOM 475 C ARG A 32 16.591 -2.315 5.942 1.00 17.15 C ATOM 476 O ARG A 32 16.175 -1.290 6.470 1.00 15.61 O ATOM 477 CB ARG A 32 16.156 -4.664 6.711 1.00 17.08 C ATOM 478 CG ARG A 32 14.688 -4.372 7.011 1.00 11.47 C ATOM 479 CD ARG A 32 13.835 -5.573 6.650 1.00 12.14 C ATOM 480 NE ARG A 32 12.436 -5.415 7.057 1.00 16.39 N ATOM 481 CZ ARG A 32 11.516 -4.706 6.425 1.00 18.81 C ATOM 482 NH1 ARG A 32 11.841 -4.063 5.309 1.00 15.51 N ATOM 483 NH2 ARG A 32 10.274 -4.651 6.913 1.00 13.22 N ATOM 484 HA ARG A 32 18.067 -3.754 6.544 1.00 0.00 H ATOM 485 HB2 ARG A 32 16.230 -5.041 5.691 1.00 0.00 H ATOM 486 HB3 ARG A 32 16.504 -5.429 7.406 1.00 0.00 H ATOM 487 HG2 ARG A 32 14.573 -4.153 8.073 1.00 0.00 H ATOM 488 HG3 ARG A 32 14.364 -3.511 6.427 1.00 0.00 H ATOM 489 HD2 ARG A 32 14.245 -6.454 7.144 1.00 0.00 H ATOM 490 HD3 ARG A 32 13.871 -5.714 5.570 1.00 0.00 H ATOM 491 HE ARG A 32 12.139 -5.907 7.924 1.00 0.00 H ATOM 492 HH12 ARG A 32 11.125 -3.503 4.804 1.00 0.00 H ATOM 493 HH11 ARG A 32 12.812 -4.120 4.940 1.00 0.00 H ATOM 494 HH22 ARG A 32 9.546 -4.095 6.421 1.00 0.00 H ATOM 495 HH21 ARG A 32 10.035 -5.164 7.785 1.00 0.00 H ATOM 496 H ARG A 32 16.346 -2.289 8.540 1.00 0.00 H ATOM 497 N ASP A 33 16.670 -2.494 4.623 1.00 12.62 N ATOM 498 CA ASP A 33 16.100 -1.496 3.737 1.00 10.92 C ATOM 499 C ASP A 33 14.582 -1.627 3.719 1.00 12.91 C ATOM 500 O ASP A 33 14.044 -2.735 3.815 1.00 14.91 O ATOM 501 CB ASP A 33 16.570 -1.719 2.300 1.00 15.68 C ATOM 502 CG ASP A 33 18.046 -1.493 2.070 1.00 18.51 C ATOM 503 OD1 ASP A 33 18.453 -1.661 0.892 1.00 18.68 O ATOM 504 OD2 ASP A 33 18.771 -1.137 3.021 1.00 16.49 O ATOM 505 HA ASP A 33 16.415 -0.518 4.100 1.00 0.00 H ATOM 506 HB2 ASP A 33 16.338 -2.747 2.023 1.00 0.00 H ATOM 507 HB3 ASP A 33 16.018 -1.037 1.653 1.00 0.00 H ATOM 508 H ASP A 33 17.135 -3.339 4.234 1.00 0.00 H ATOM 509 N SER A 34 13.867 -0.533 3.552 1.00 8.87 N ATOM 510 CA SER A 34 12.433 -0.637 3.322 1.00 10.81 C ATOM 511 C SER A 34 12.161 -1.294 1.974 1.00 19.12 C ATOM 512 O SER A 34 12.916 -1.024 1.022 1.00 18.05 O ATOM 513 CB SER A 34 11.797 0.759 3.329 1.00 12.09 C ATOM 514 OG SER A 34 10.410 0.612 3.005 1.00 15.78 O ATOM 515 HA SER A 34 12.001 -1.244 4.118 1.00 0.00 H ATOM 516 HB2 SER A 34 12.285 1.393 2.589 1.00 0.00 H ATOM 517 HB3 SER A 34 11.901 1.209 4.316 1.00 0.00 H ATOM 518 HG SER A 34 9.974 0.033 3.679 1.00 0.00 H ATOM 519 H SER A 34 14.325 0.400 3.584 1.00 0.00 H ATOM 520 N GLU A 35 11.129 -2.132 1.901 1.00 13.38 N ATOM 521 CA GLU A 35 10.761 -2.674 0.587 1.00 17.54 C ATOM 522 C GLU A 35 9.524 -1.956 0.042 1.00 19.78 C ATOM 523 O GLU A 35 8.914 -2.423 -0.929 1.00 18.09 O ATOM 524 CB GLU A 35 10.539 -4.188 0.645 1.00 19.11 C ATOM 525 CG GLU A 35 9.521 -4.664 1.667 1.00 23.10 C ATOM 526 CD GLU A 35 9.043 -6.079 1.399 1.00 32.10 C ATOM 527 OE1 GLU A 35 7.812 -6.303 1.386 1.00 42.18 O ATOM 528 OE2 GLU A 35 9.898 -6.956 1.196 1.00 34.79 O ATOM 529 HA GLU A 35 11.592 -2.496 -0.095 1.00 0.00 H ATOM 530 HB2 GLU A 35 10.205 -4.516 -0.339 1.00 0.00 H ATOM 531 HB3 GLU A 35 11.494 -4.658 0.879 1.00 0.00 H ATOM 532 HG2 GLU A 35 9.977 -4.631 2.656 1.00 0.00 H ATOM 533 HG3 GLU A 35 8.661 -3.994 1.642 1.00 0.00 H ATOM 534 H GLU A 35 10.596 -2.396 2.754 1.00 0.00 H ATOM 535 N SER A 36 9.161 -0.829 0.658 1.00 16.36 N ATOM 536 CA SER A 36 8.045 -0.022 0.195 1.00 15.55 C ATOM 537 C SER A 36 8.456 1.413 -0.140 1.00 19.92 C ATOM 538 O SER A 36 7.839 2.068 -0.977 1.00 17.24 O ATOM 539 CB SER A 36 6.909 0.092 1.221 1.00 15.40 C ATOM 540 OG SER A 36 6.448 -1.176 1.598 1.00 18.76 O ATOM 541 HA SER A 36 7.702 -0.551 -0.694 1.00 0.00 H ATOM 542 HB2 SER A 36 6.086 0.655 0.782 1.00 0.00 H ATOM 543 HB3 SER A 36 7.276 0.616 2.104 1.00 0.00 H ATOM 544 HG SER A 36 5.717 -1.077 2.259 1.00 0.00 H ATOM 545 H SER A 36 9.694 -0.519 1.496 1.00 0.00 H ATOM 546 N VAL A 37 9.469 1.913 0.550 1.00 17.36 N ATOM 547 CA VAL A 37 9.894 3.296 0.352 1.00 19.26 C ATOM 548 C VAL A 37 11.365 3.273 -0.048 1.00 21.67 C ATOM 549 O VAL A 37 12.198 3.132 0.842 1.00 14.07 O ATOM 550 CB VAL A 37 9.719 4.177 1.599 1.00 23.54 C ATOM 551 CG1 VAL A 37 9.965 5.651 1.269 1.00 17.00 C ATOM 552 CG2 VAL A 37 8.332 4.001 2.205 1.00 18.79 C ATOM 553 HA VAL A 37 9.262 3.735 -0.420 1.00 0.00 H ATOM 554 HB VAL A 37 10.459 3.857 2.332 1.00 0.00 H ATOM 555 HG11 VAL A 37 10.981 5.773 0.894 1.00 0.00 H ATOM 556 HG12 VAL A 37 9.254 5.975 0.509 1.00 0.00 H ATOM 557 HG13 VAL A 37 9.834 6.250 2.170 1.00 0.00 H ATOM 558 HG21 VAL A 37 7.578 4.282 1.470 1.00 0.00 H ATOM 559 HG22 VAL A 37 8.192 2.959 2.491 1.00 0.00 H ATOM 560 HG23 VAL A 37 8.238 4.637 3.085 1.00 0.00 H ATOM 561 H VAL A 37 9.967 1.315 1.240 1.00 0.00 H ATOM 562 N PRO A 38 11.689 3.423 -1.329 1.00 23.05 N ATOM 563 CA PRO A 38 13.105 3.435 -1.705 1.00 15.91 C ATOM 564 C PRO A 38 13.888 4.489 -0.936 1.00 12.25 C ATOM 565 O PRO A 38 13.499 5.647 -0.802 1.00 16.32 O ATOM 566 CB PRO A 38 13.093 3.790 -3.208 1.00 15.41 C ATOM 567 CG PRO A 38 11.737 3.329 -3.651 1.00 16.76 C ATOM 568 CD PRO A 38 10.802 3.589 -2.496 1.00 15.89 C ATOM 569 HA PRO A 38 13.584 2.481 -1.485 1.00 0.00 H ATOM 570 HD3 PRO A 38 10.391 4.598 -2.540 1.00 0.00 H ATOM 571 HD2 PRO A 38 9.986 2.866 -2.478 1.00 0.00 H ATOM 572 HG3 PRO A 38 11.758 2.265 -3.887 1.00 0.00 H ATOM 573 HG2 PRO A 38 11.416 3.889 -4.530 1.00 0.00 H ATOM 574 HB2 PRO A 38 13.211 4.863 -3.359 1.00 0.00 H ATOM 575 HB3 PRO A 38 13.882 3.260 -3.743 1.00 0.00 H ATOM 576 N GLY A 39 15.053 4.053 -0.453 1.00 12.97 N ATOM 577 CA GLY A 39 15.966 4.986 0.165 1.00 25.20 C ATOM 578 C GLY A 39 15.707 5.099 1.663 1.00 21.08 C ATOM 579 O GLY A 39 16.502 5.784 2.293 1.00 21.94 O ATOM 580 HA3 GLY A 39 15.838 5.967 -0.293 1.00 0.00 H ATOM 581 HA2 GLY A 39 16.988 4.643 0.005 1.00 0.00 H ATOM 582 H GLY A 39 15.302 3.046 -0.521 1.00 0.00 H ATOM 583 N VAL A 40 14.643 4.456 2.145 1.00 17.71 N ATOM 584 CA VAL A 40 14.337 4.510 3.587 1.00 15.56 C ATOM 585 C VAL A 40 14.726 3.187 4.239 1.00 20.25 C ATOM 586 O VAL A 40 14.839 2.163 3.544 1.00 14.31 O ATOM 587 CB VAL A 40 12.860 4.902 3.762 1.00 16.31 C ATOM 588 CG1 VAL A 40 12.300 4.671 5.161 1.00 14.35 C ATOM 589 CG2 VAL A 40 12.704 6.388 3.429 1.00 23.69 C ATOM 590 HA VAL A 40 14.922 5.273 4.100 1.00 0.00 H ATOM 591 HB VAL A 40 12.297 4.255 3.090 1.00 0.00 H ATOM 592 HG11 VAL A 40 12.377 3.613 5.412 1.00 0.00 H ATOM 593 HG12 VAL A 40 12.870 5.259 5.881 1.00 0.00 H ATOM 594 HG13 VAL A 40 11.254 4.976 5.187 1.00 0.00 H ATOM 595 HG21 VAL A 40 13.326 6.977 4.102 1.00 0.00 H ATOM 596 HG22 VAL A 40 13.015 6.563 2.399 1.00 0.00 H ATOM 597 HG23 VAL A 40 11.660 6.678 3.549 1.00 0.00 H ATOM 598 H VAL A 40 14.028 3.916 1.503 1.00 0.00 H ATOM 599 N TYR A 41 14.951 3.171 5.553 1.00 11.88 N ATOM 600 CA TYR A 41 15.368 1.953 6.249 1.00 9.10 C ATOM 601 C TYR A 41 14.294 1.544 7.256 1.00 6.47 C ATOM 602 O TYR A 41 13.407 2.368 7.473 1.00 11.58 O ATOM 603 CB TYR A 41 16.687 2.142 7.001 1.00 7.93 C ATOM 604 CG TYR A 41 17.758 2.582 6.015 1.00 19.58 C ATOM 605 CD1 TYR A 41 18.016 3.923 5.813 1.00 20.31 C ATOM 606 CD2 TYR A 41 18.470 1.631 5.298 1.00 23.36 C ATOM 607 CE1 TYR A 41 18.980 4.338 4.917 1.00 28.49 C ATOM 608 CE2 TYR A 41 19.436 2.046 4.403 1.00 31.93 C ATOM 609 CZ TYR A 41 19.683 3.385 4.217 1.00 32.92 C ATOM 610 OH TYR A 41 20.653 3.781 3.322 1.00 45.40 O ATOM 611 HA TYR A 41 15.509 1.181 5.492 1.00 0.00 H ATOM 612 HB3 TYR A 41 16.982 1.201 7.466 1.00 0.00 H ATOM 613 HB2 TYR A 41 16.563 2.903 7.771 1.00 0.00 H ATOM 614 HD2 TYR A 41 18.269 0.569 5.440 1.00 0.00 H ATOM 615 HE2 TYR A 41 20.006 1.307 3.840 1.00 0.00 H ATOM 616 HE1 TYR A 41 19.180 5.399 4.767 1.00 0.00 H ATOM 617 HD1 TYR A 41 17.448 4.667 6.371 1.00 0.00 H ATOM 618 HH TYR A 41 20.704 4.770 3.308 1.00 0.00 H ATOM 619 H TYR A 41 14.827 4.048 6.098 1.00 0.00 H ATOM 620 N CYS A 42 14.413 0.332 7.771 1.00 10.11 N ATOM 621 CA CYS A 42 13.429 -0.159 8.739 1.00 12.22 C ATOM 622 C CYS A 42 14.111 -0.800 9.940 1.00 13.43 C ATOM 623 O CYS A 42 14.859 -1.759 9.808 1.00 12.79 O ATOM 624 CB CYS A 42 12.513 -1.204 8.094 1.00 9.73 C ATOM 625 SG CYS A 42 11.410 -0.461 6.860 1.00 12.69 S ATOM 626 HA CYS A 42 12.845 0.701 9.067 1.00 0.00 H ATOM 627 HB2 CYS A 42 11.909 -1.672 8.871 1.00 0.00 H ATOM 628 HB3 CYS A 42 13.128 -1.961 7.608 1.00 0.00 H ATOM 629 HG CYS A 42 10.609 -1.442 6.311 1.00 0.00 H ATOM 630 H CYS A 42 15.208 -0.275 7.488 1.00 0.00 H ATOM 631 N LEU A 43 13.841 -0.234 11.101 1.00 14.41 N ATOM 632 CA LEU A 43 14.321 -0.771 12.366 1.00 12.56 C ATOM 633 C LEU A 43 13.252 -1.712 12.920 1.00 14.75 C ATOM 634 O LEU A 43 12.124 -1.270 13.164 1.00 10.42 O ATOM 635 CB LEU A 43 14.638 0.409 13.268 1.00 15.77 C ATOM 636 CG LEU A 43 15.105 0.089 14.692 1.00 18.28 C ATOM 637 CD1 LEU A 43 16.475 -0.564 14.631 1.00 18.35 C ATOM 638 CD2 LEU A 43 15.107 1.376 15.491 1.00 21.15 C ATOM 639 HA LEU A 43 15.233 -1.360 12.269 1.00 0.00 H ATOM 640 HB2 LEU A 43 15.425 0.990 12.786 1.00 0.00 H ATOM 641 HB3 LEU A 43 13.736 1.016 13.346 1.00 0.00 H ATOM 642 HG LEU A 43 14.435 -0.614 15.187 1.00 0.00 H ATOM 643 HD21 LEU A 43 15.786 2.090 15.025 1.00 0.00 H ATOM 644 HD22 LEU A 43 14.099 1.791 15.511 1.00 0.00 H ATOM 645 HD23 LEU A 43 15.437 1.170 16.509 1.00 0.00 H ATOM 646 HD11 LEU A 43 16.412 -1.484 14.050 1.00 0.00 H ATOM 647 HD12 LEU A 43 17.181 0.119 14.158 1.00 0.00 H ATOM 648 HD13 LEU A 43 16.812 -0.794 15.642 1.00 0.00 H ATOM 649 H LEU A 43 13.262 0.630 11.113 1.00 0.00 H ATOM 650 N CYS A 44 13.611 -2.982 13.079 1.00 13.88 N ATOM 651 CA CYS A 44 12.686 -4.091 13.294 1.00 10.10 C ATOM 652 C CYS A 44 12.949 -4.720 14.660 1.00 13.81 C ATOM 653 O CYS A 44 14.093 -5.092 14.873 1.00 14.91 O ATOM 654 CB CYS A 44 12.844 -5.160 12.210 1.00 12.32 C ATOM 655 SG CYS A 44 12.702 -4.498 10.511 1.00 14.70 S ATOM 656 HA CYS A 44 11.670 -3.699 13.250 1.00 0.00 H ATOM 657 HB2 CYS A 44 12.070 -5.914 12.353 1.00 0.00 H ATOM 658 HB3 CYS A 44 13.825 -5.622 12.320 1.00 0.00 H ATOM 659 HG CYS A 44 13.683 -3.550 10.305 1.00 0.00 H ATOM 660 H CYS A 44 14.627 -3.202 13.048 1.00 0.00 H ATOM 661 N VAL A 45 11.936 -4.832 15.498 1.00 6.86 N ATOM 662 CA VAL A 45 12.149 -5.457 16.801 1.00 8.89 C ATOM 663 C VAL A 45 11.004 -6.422 17.083 1.00 15.99 C ATOM 664 O VAL A 45 9.825 -6.140 16.836 1.00 13.51 O ATOM 665 CB VAL A 45 12.293 -4.404 17.915 1.00 12.53 C ATOM 666 CG1 VAL A 45 11.044 -3.530 18.003 1.00 10.89 C ATOM 667 CG2 VAL A 45 12.558 -5.070 19.258 1.00 13.30 C ATOM 668 HA VAL A 45 13.085 -6.014 16.782 1.00 0.00 H ATOM 669 HB VAL A 45 13.144 -3.770 17.665 1.00 0.00 H ATOM 670 HG11 VAL A 45 10.893 -3.018 17.053 1.00 0.00 H ATOM 671 HG12 VAL A 45 10.179 -4.156 18.221 1.00 0.00 H ATOM 672 HG13 VAL A 45 11.172 -2.795 18.797 1.00 0.00 H ATOM 673 HG21 VAL A 45 11.727 -5.731 19.504 1.00 0.00 H ATOM 674 HG22 VAL A 45 13.480 -5.649 19.200 1.00 0.00 H ATOM 675 HG23 VAL A 45 12.656 -4.305 20.028 1.00 0.00 H ATOM 676 H VAL A 45 10.994 -4.479 15.233 1.00 0.00 H ATOM 677 N LEU A 46 11.395 -7.576 17.610 1.00 12.20 N ATOM 678 CA LEU A 46 10.467 -8.645 17.947 1.00 12.49 C ATOM 679 C LEU A 46 9.714 -8.453 19.257 1.00 16.45 C ATOM 680 O LEU A 46 10.333 -8.250 20.295 1.00 17.08 O ATOM 681 CB LEU A 46 11.250 -9.976 18.050 1.00 16.74 C ATOM 682 CG LEU A 46 10.376 -11.218 18.289 1.00 13.52 C ATOM 683 CD1 LEU A 46 9.390 -11.503 17.165 1.00 17.91 C ATOM 684 CD2 LEU A 46 11.282 -12.423 18.528 1.00 15.44 C ATOM 685 HA LEU A 46 9.723 -8.646 17.150 1.00 0.00 H ATOM 686 HB2 LEU A 46 11.799 -10.120 17.119 1.00 0.00 H ATOM 687 HB3 LEU A 46 11.955 -9.892 18.877 1.00 0.00 H ATOM 688 HG LEU A 46 9.763 -11.017 19.168 1.00 0.00 H ATOM 689 HD21 LEU A 46 11.914 -12.580 17.654 1.00 0.00 H ATOM 690 HD22 LEU A 46 11.907 -12.238 19.402 1.00 0.00 H ATOM 691 HD23 LEU A 46 10.669 -13.308 18.698 1.00 0.00 H ATOM 692 HD11 LEU A 46 8.718 -10.652 17.048 1.00 0.00 H ATOM 693 HD12 LEU A 46 9.937 -11.666 16.236 1.00 0.00 H ATOM 694 HD13 LEU A 46 8.811 -12.394 17.408 1.00 0.00 H ATOM 695 H LEU A 46 12.409 -7.722 17.790 1.00 0.00 H ATOM 696 N TYR A 47 8.380 -8.547 19.239 1.00 14.37 N ATOM 697 CA TYR A 47 7.609 -8.529 20.469 1.00 17.79 C ATOM 698 C TYR A 47 6.416 -9.479 20.360 1.00 12.74 C ATOM 699 O TYR A 47 5.520 -9.228 19.565 1.00 15.24 O ATOM 700 CB TYR A 47 7.177 -7.093 20.831 1.00 17.13 C ATOM 701 CG TYR A 47 6.279 -7.066 22.062 1.00 15.54 C ATOM 702 CD1 TYR A 47 4.892 -7.048 21.942 1.00 16.73 C ATOM 703 CD2 TYR A 47 6.840 -7.075 23.337 1.00 12.42 C ATOM 704 CE1 TYR A 47 4.039 -7.032 23.032 1.00 11.57 C ATOM 705 CE2 TYR A 47 5.984 -7.058 24.427 1.00 19.46 C ATOM 706 CZ TYR A 47 4.618 -7.037 24.281 1.00 19.67 C ATOM 707 OH TYR A 47 3.761 -7.016 25.377 1.00 19.03 O ATOM 708 HA TYR A 47 8.240 -8.883 21.284 1.00 0.00 H ATOM 709 HB3 TYR A 47 6.634 -6.664 19.988 1.00 0.00 H ATOM 710 HB2 TYR A 47 8.067 -6.496 21.030 1.00 0.00 H ATOM 711 HD2 TYR A 47 7.921 -7.095 23.474 1.00 0.00 H ATOM 712 HE2 TYR A 47 6.408 -7.061 25.431 1.00 0.00 H ATOM 713 HE1 TYR A 47 2.956 -7.016 22.907 1.00 0.00 H ATOM 714 HD1 TYR A 47 4.457 -7.046 20.942 1.00 0.00 H ATOM 715 HH TYR A 47 2.823 -7.003 25.061 1.00 0.00 H ATOM 716 H TYR A 47 7.886 -8.635 18.328 1.00 0.00 H ATOM 717 N HIS A 48 6.376 -10.528 21.163 1.00 11.44 N ATOM 718 CA HIS A 48 5.251 -11.458 21.228 1.00 14.48 C ATOM 719 C HIS A 48 4.825 -11.911 19.827 1.00 18.27 C ATOM 720 O HIS A 48 3.673 -11.823 19.402 1.00 22.49 O ATOM 721 CB HIS A 48 4.106 -10.825 22.032 1.00 19.52 C ATOM 722 CG HIS A 48 4.410 -10.605 23.481 1.00 26.71 C ATOM 723 ND1 HIS A 48 3.432 -10.491 24.446 1.00 33.89 N ATOM 724 CD2 HIS A 48 5.575 -10.470 24.163 1.00 25.47 C ATOM 725 CE1 HIS A 48 3.962 -10.300 25.644 1.00 32.11 C ATOM 726 NE2 HIS A 48 5.277 -10.286 25.497 1.00 32.67 N ATOM 727 HA HIS A 48 5.556 -12.364 21.751 1.00 0.00 H ATOM 728 HB2 HIS A 48 3.868 -9.860 21.584 1.00 0.00 H ATOM 729 HB3 HIS A 48 3.238 -11.481 21.962 1.00 0.00 H ATOM 730 HD2 HIS A 48 6.575 -10.502 23.731 1.00 0.00 H ATOM 731 HE1 HIS A 48 3.416 -10.177 26.579 1.00 0.00 H ATOM 732 H HIS A 48 7.192 -10.701 21.784 1.00 0.00 H ATOM 733 N GLY A 49 5.789 -12.399 19.037 1.00 17.82 N ATOM 734 CA GLY A 49 5.504 -13.013 17.760 1.00 18.61 C ATOM 735 C GLY A 49 5.381 -12.085 16.568 1.00 24.08 C ATOM 736 O GLY A 49 5.290 -12.574 15.435 1.00 16.01 O ATOM 737 HA3 GLY A 49 4.562 -13.553 17.856 1.00 0.00 H ATOM 738 HA2 GLY A 49 6.306 -13.719 17.547 1.00 0.00 H ATOM 739 H GLY A 49 6.778 -12.334 19.353 1.00 0.00 H ATOM 740 N TYR A 50 5.359 -10.771 16.778 1.00 16.95 N ATOM 741 CA TYR A 50 5.209 -9.772 15.737 1.00 12.16 C ATOM 742 C TYR A 50 6.450 -8.885 15.611 1.00 14.04 C ATOM 743 O TYR A 50 7.154 -8.754 16.620 1.00 12.11 O ATOM 744 CB TYR A 50 3.992 -8.865 16.008 1.00 10.62 C ATOM 745 CG TYR A 50 2.706 -9.578 15.640 1.00 10.67 C ATOM 746 CD1 TYR A 50 2.242 -10.584 16.480 1.00 12.96 C ATOM 747 CD2 TYR A 50 2.012 -9.242 14.487 1.00 10.56 C ATOM 748 CE1 TYR A 50 1.069 -11.260 16.173 1.00 11.60 C ATOM 749 CE2 TYR A 50 0.839 -9.915 14.169 1.00 16.95 C ATOM 750 CZ TYR A 50 0.391 -10.912 15.030 1.00 14.79 C ATOM 751 OH TYR A 50 -0.766 -11.581 14.705 1.00 18.08 O ATOM 752 HA TYR A 50 5.066 -10.322 14.807 1.00 0.00 H ATOM 753 HB3 TYR A 50 4.082 -7.956 15.413 1.00 0.00 H ATOM 754 HB2 TYR A 50 3.968 -8.604 17.066 1.00 0.00 H ATOM 755 HD2 TYR A 50 2.385 -8.454 13.833 1.00 0.00 H ATOM 756 HE2 TYR A 50 0.282 -9.668 13.265 1.00 0.00 H ATOM 757 HE1 TYR A 50 0.694 -12.049 16.824 1.00 0.00 H ATOM 758 HD1 TYR A 50 2.800 -10.842 17.380 1.00 0.00 H ATOM 759 HH TYR A 50 -0.962 -12.257 15.402 1.00 0.00 H ATOM 760 H TYR A 50 5.456 -10.437 17.758 1.00 0.00 H ATOM 761 N ILE A 51 6.665 -8.338 14.404 1.00 10.13 N ATOM 762 CA ILE A 51 7.873 -7.502 14.203 1.00 9.11 C ATOM 763 C ILE A 51 7.502 -6.027 14.070 1.00 11.11 C ATOM 764 O ILE A 51 6.986 -5.538 13.055 1.00 13.32 O ATOM 765 CB ILE A 51 8.675 -8.003 13.002 1.00 16.37 C ATOM 766 CG1 ILE A 51 9.265 -9.402 13.218 1.00 23.37 C ATOM 767 CG2 ILE A 51 9.809 -7.040 12.678 1.00 11.96 C ATOM 768 CD1 ILE A 51 8.275 -10.536 13.150 1.00 24.85 C ATOM 769 HA ILE A 51 8.510 -7.591 15.083 1.00 0.00 H ATOM 770 HB ILE A 51 7.971 -8.059 12.172 1.00 0.00 H ATOM 771 HG12 ILE A 51 10.023 -9.570 12.453 1.00 0.00 H ATOM 772 HG13 ILE A 51 9.733 -9.422 14.202 1.00 0.00 H ATOM 773 HD11 ILE A 51 7.514 -10.399 13.918 1.00 0.00 H ATOM 774 HD12 ILE A 51 7.804 -10.547 12.167 1.00 0.00 H ATOM 775 HD13 ILE A 51 8.794 -11.480 13.316 1.00 0.00 H ATOM 776 HG21 ILE A 51 9.395 -6.059 12.444 1.00 0.00 H ATOM 777 HG22 ILE A 51 10.473 -6.960 13.539 1.00 0.00 H ATOM 778 HG23 ILE A 51 10.368 -7.414 11.820 1.00 0.00 H ATOM 779 H ILE A 51 5.996 -8.498 13.624 1.00 0.00 H ATOM 780 N TYR A 52 7.718 -5.277 15.145 1.00 14.62 N ATOM 781 CA TYR A 52 7.361 -3.857 15.178 1.00 11.32 C ATOM 782 C TYR A 52 8.430 -3.114 14.408 1.00 10.99 C ATOM 783 O TYR A 52 9.602 -3.232 14.720 1.00 12.41 O ATOM 784 CB TYR A 52 7.185 -3.380 16.647 1.00 5.90 C ATOM 785 CG TYR A 52 5.909 -4.110 17.084 1.00 7.23 C ATOM 786 CD1 TYR A 52 6.001 -5.382 17.638 1.00 12.19 C ATOM 787 CD2 TYR A 52 4.669 -3.547 16.905 1.00 11.11 C ATOM 788 CE1 TYR A 52 4.854 -6.045 18.024 1.00 9.39 C ATOM 789 CE2 TYR A 52 3.503 -4.212 17.292 1.00 11.68 C ATOM 790 CZ TYR A 52 3.616 -5.459 17.849 1.00 9.18 C ATOM 791 OH TYR A 52 2.461 -6.135 18.220 1.00 16.23 O ATOM 792 HA TYR A 52 6.400 -3.660 14.703 1.00 0.00 H ATOM 793 HB3 TYR A 52 7.057 -2.299 16.698 1.00 0.00 H ATOM 794 HB2 TYR A 52 8.037 -3.673 17.261 1.00 0.00 H ATOM 795 HD2 TYR A 52 4.593 -2.559 16.451 1.00 0.00 H ATOM 796 HE2 TYR A 52 2.526 -3.750 17.154 1.00 0.00 H ATOM 797 HE1 TYR A 52 4.926 -7.037 18.470 1.00 0.00 H ATOM 798 HD1 TYR A 52 6.975 -5.854 17.767 1.00 0.00 H ATOM 799 HH TYR A 52 2.704 -7.015 18.604 1.00 0.00 H ATOM 800 H TYR A 52 8.152 -5.710 15.985 1.00 0.00 H ATOM 801 N THR A 53 8.031 -2.383 13.392 1.00 9.18 N ATOM 802 CA THR A 53 8.976 -1.841 12.427 1.00 9.39 C ATOM 803 C THR A 53 8.832 -0.331 12.347 1.00 16.38 C ATOM 804 O THR A 53 7.710 0.114 12.190 1.00 14.72 O ATOM 805 CB THR A 53 8.720 -2.524 11.070 1.00 12.00 C ATOM 806 OG1 THR A 53 8.706 -3.943 11.315 1.00 12.43 O ATOM 807 CG2 THR A 53 9.829 -2.210 10.087 1.00 15.16 C ATOM 808 HA THR A 53 10.003 -2.042 12.732 1.00 0.00 H ATOM 809 HB THR A 53 7.781 -2.170 10.645 1.00 0.00 H ATOM 810 HG1 THR A 53 7.986 -4.158 11.959 1.00 0.00 H ATOM 811 HG23 THR A 53 9.849 -1.137 9.894 1.00 0.00 H ATOM 812 HG21 THR A 53 10.785 -2.523 10.508 1.00 0.00 H ATOM 813 HG22 THR A 53 9.649 -2.745 9.155 1.00 0.00 H ATOM 814 H THR A 53 7.016 -2.187 13.275 1.00 0.00 H ATOM 815 N TYR A 54 9.935 0.387 12.482 1.00 12.71 N ATOM 816 CA TYR A 54 10.005 1.828 12.516 1.00 12.62 C ATOM 817 C TYR A 54 10.808 2.309 11.314 1.00 16.94 C ATOM 818 O TYR A 54 11.986 1.962 11.212 1.00 12.36 O ATOM 819 CB TYR A 54 10.645 2.292 13.840 1.00 14.42 C ATOM 820 CG TYR A 54 9.769 1.862 15.025 1.00 12.89 C ATOM 821 CD1 TYR A 54 9.891 0.577 15.547 1.00 13.62 C ATOM 822 CD2 TYR A 54 8.847 2.706 15.602 1.00 10.40 C ATOM 823 CE1 TYR A 54 9.130 0.123 16.613 1.00 9.31 C ATOM 824 CE2 TYR A 54 8.065 2.273 16.675 1.00 12.00 C ATOM 825 CZ TYR A 54 8.216 0.996 17.172 1.00 10.08 C ATOM 826 OH TYR A 54 7.431 0.588 18.225 1.00 13.74 O ATOM 827 HA TYR A 54 9.004 2.256 12.464 1.00 0.00 H ATOM 828 HB3 TYR A 54 10.739 3.378 13.835 1.00 0.00 H ATOM 829 HB2 TYR A 54 11.634 1.844 13.940 1.00 0.00 H ATOM 830 HD2 TYR A 54 8.727 3.719 15.219 1.00 0.00 H ATOM 831 HE2 TYR A 54 7.333 2.947 17.121 1.00 0.00 H ATOM 832 HE1 TYR A 54 9.249 -0.890 16.998 1.00 0.00 H ATOM 833 HD1 TYR A 54 10.616 -0.101 15.098 1.00 0.00 H ATOM 834 HH TYR A 54 6.477 0.640 17.964 1.00 0.00 H ATOM 835 H TYR A 54 10.831 -0.133 12.572 1.00 0.00 H ATOM 836 N ARG A 55 10.171 3.078 10.420 1.00 11.09 N ATOM 837 CA ARG A 55 10.915 3.558 9.262 1.00 10.75 C ATOM 838 C ARG A 55 11.885 4.640 9.683 1.00 11.39 C ATOM 839 O ARG A 55 11.519 5.507 10.469 1.00 17.86 O ATOM 840 CB ARG A 55 9.916 4.059 8.212 1.00 14.39 C ATOM 841 CG ARG A 55 9.299 2.816 7.559 1.00 11.62 C ATOM 842 CD ARG A 55 8.579 3.159 6.271 1.00 17.55 C ATOM 843 NE ARG A 55 7.851 1.982 5.782 1.00 19.59 N ATOM 844 CZ ARG A 55 6.635 2.101 5.245 1.00 33.23 C ATOM 845 NH1 ARG A 55 6.074 3.302 5.150 1.00 39.62 N ATOM 846 NH2 ARG A 55 6.019 1.005 4.819 1.00 22.79 N ATOM 847 HA ARG A 55 11.504 2.752 8.823 1.00 0.00 H ATOM 848 HB2 ARG A 55 9.139 4.658 8.688 1.00 0.00 H ATOM 849 HB3 ARG A 55 10.429 4.661 7.462 1.00 0.00 H ATOM 850 HG2 ARG A 55 10.092 2.101 7.341 1.00 0.00 H ATOM 851 HG3 ARG A 55 8.588 2.368 8.253 1.00 0.00 H ATOM 852 HD2 ARG A 55 9.306 3.473 5.522 1.00 0.00 H ATOM 853 HD3 ARG A 55 7.875 3.971 6.454 1.00 0.00 H ATOM 854 HE ARG A 55 8.289 1.042 5.855 1.00 0.00 H ATOM 855 HH12 ARG A 55 5.127 3.402 4.733 1.00 0.00 H ATOM 856 HH11 ARG A 55 6.582 4.142 5.493 1.00 0.00 H ATOM 857 HH22 ARG A 55 5.071 1.072 4.397 1.00 0.00 H ATOM 858 HH21 ARG A 55 6.485 0.079 4.907 1.00 0.00 H ATOM 859 H ARG A 55 9.169 3.326 10.549 1.00 0.00 H ATOM 860 N VAL A 56 13.093 4.538 9.159 1.00 11.32 N ATOM 861 CA VAL A 56 14.196 5.409 9.563 1.00 16.44 C ATOM 862 C VAL A 56 14.743 6.088 8.310 1.00 12.83 C ATOM 863 O VAL A 56 15.061 5.397 7.351 1.00 13.78 O ATOM 864 CB VAL A 56 15.287 4.615 10.309 1.00 16.57 C ATOM 865 CG1 VAL A 56 16.515 5.473 10.572 1.00 19.26 C ATOM 866 CG2 VAL A 56 14.744 4.057 11.627 1.00 14.29 C ATOM 867 HA VAL A 56 13.841 6.167 10.261 1.00 0.00 H ATOM 868 HB VAL A 56 15.584 3.784 9.669 1.00 0.00 H ATOM 869 HG11 VAL A 56 16.925 5.819 9.623 1.00 0.00 H ATOM 870 HG12 VAL A 56 16.233 6.332 11.182 1.00 0.00 H ATOM 871 HG13 VAL A 56 17.264 4.882 11.099 1.00 0.00 H ATOM 872 HG21 VAL A 56 14.412 4.880 12.259 1.00 0.00 H ATOM 873 HG22 VAL A 56 13.904 3.394 11.421 1.00 0.00 H ATOM 874 HG23 VAL A 56 15.531 3.501 12.136 1.00 0.00 H ATOM 875 H VAL A 56 13.266 3.813 8.434 1.00 0.00 H ATOM 876 N SER A 57 14.846 7.399 8.341 1.00 14.84 N ATOM 877 CA SER A 57 15.254 8.196 7.192 1.00 17.02 C ATOM 878 C SER A 57 16.422 9.125 7.506 1.00 30.83 C ATOM 879 O SER A 57 16.558 9.567 8.647 1.00 17.03 O ATOM 880 CB SER A 57 14.081 9.061 6.722 1.00 16.20 C ATOM 881 OG SER A 57 12.917 8.291 6.503 1.00 27.86 O ATOM 882 HA SER A 57 15.568 7.493 6.421 1.00 0.00 H ATOM 883 HB2 SER A 57 14.358 9.556 5.791 1.00 0.00 H ATOM 884 HB3 SER A 57 13.869 9.813 7.482 1.00 0.00 H ATOM 885 HG SER A 57 12.183 8.883 6.201 1.00 0.00 H ATOM 886 H SER A 57 14.625 7.891 9.230 1.00 0.00 H ATOM 887 N GLN A 58 17.226 9.407 6.489 1.00 37.33 N ATOM 888 CA GLN A 58 18.336 10.343 6.573 1.00 38.52 C ATOM 889 C GLN A 58 17.900 11.701 6.027 1.00 46.43 C ATOM 890 O GLN A 58 17.164 11.748 5.033 1.00 37.97 O ATOM 891 CB GLN A 58 19.557 9.864 5.795 1.00 36.29 C ATOM 892 CG GLN A 58 20.840 10.604 6.174 1.00 40.06 C ATOM 893 CD GLN A 58 22.052 9.775 5.788 1.00 45.98 C ATOM 894 OE1 GLN A 58 22.087 9.198 4.701 1.00 50.67 O ATOM 895 NE2 GLN A 58 23.042 9.672 6.665 1.00 57.93 N ATOM 896 HA GLN A 58 18.617 10.421 7.623 1.00 0.00 H ATOM 897 HB2 GLN A 58 19.699 8.801 5.992 1.00 0.00 H ATOM 898 HB3 GLN A 58 19.371 10.014 4.731 1.00 0.00 H ATOM 899 HG2 GLN A 58 20.874 11.559 5.650 1.00 0.00 H ATOM 900 HG3 GLN A 58 20.851 10.780 7.250 1.00 0.00 H ATOM 901 HE22 GLN A 58 22.984 10.171 7.576 1.00 0.00 H ATOM 902 HE21 GLN A 58 23.876 9.092 6.442 1.00 0.00 H ATOM 903 H GLN A 58 17.053 8.932 5.580 1.00 0.00 H ATOM 904 N THR A 59 18.356 12.760 6.690 1.00 40.41 N ATOM 905 CA THR A 59 18.064 14.108 6.235 1.00 39.75 C ATOM 906 C THR A 59 19.019 14.516 5.105 1.00 51.33 C ATOM 907 O THR A 59 20.119 13.966 5.012 1.00 29.41 O ATOM 908 CB THR A 59 18.208 15.167 7.343 1.00 34.37 C ATOM 909 OG1 THR A 59 19.558 15.128 7.841 1.00 42.21 O ATOM 910 CG2 THR A 59 17.259 14.871 8.486 1.00 41.97 C ATOM 911 HA THR A 59 17.027 14.079 5.899 1.00 0.00 H ATOM 912 HB THR A 59 17.973 16.149 6.932 1.00 0.00 H ATOM 913 HG1 THR A 59 19.748 14.228 8.207 1.00 0.00 H ATOM 914 HG23 THR A 59 16.232 14.898 8.120 1.00 0.00 H ATOM 915 HG21 THR A 59 17.476 13.882 8.890 1.00 0.00 H ATOM 916 HG22 THR A 59 17.388 15.621 9.267 1.00 0.00 H ATOM 917 H THR A 59 18.930 12.621 7.546 1.00 0.00 H ATOM 918 N GLU A 60 18.582 15.493 4.329 1.00 61.42 N ATOM 919 CA GLU A 60 19.270 16.207 3.281 1.00 73.59 C ATOM 920 C GLU A 60 20.566 16.877 3.742 1.00 68.55 C ATOM 921 O GLU A 60 21.338 17.332 2.896 1.00 60.76 O ATOM 922 CB GLU A 60 18.380 17.326 2.706 1.00 88.63 C ATOM 923 CG GLU A 60 18.911 18.711 3.060 1.00 98.52 C ATOM 924 CD GLU A 60 17.819 19.726 3.322 1.00105.29 C ATOM 925 OE1 GLU A 60 17.028 19.975 2.386 1.00124.14 O ATOM 926 OE2 GLU A 60 17.747 20.269 4.445 1.00100.54 O ATOM 927 HA GLU A 60 19.506 15.446 2.537 1.00 0.00 H ATOM 928 HB2 GLU A 60 18.346 17.228 1.621 1.00 0.00 H ATOM 929 HB3 GLU A 60 17.374 17.220 3.111 1.00 0.00 H ATOM 930 HG2 GLU A 60 19.526 18.627 3.956 1.00 0.00 H ATOM 931 HG3 GLU A 60 19.523 19.068 2.232 1.00 0.00 H ATOM 932 H GLU A 60 17.600 15.790 4.499 1.00 0.00 H ATOM 933 N THR A 61 20.783 16.922 5.040 1.00 64.03 N ATOM 934 CA THR A 61 21.906 17.461 5.764 1.00 62.96 C ATOM 935 C THR A 61 22.619 16.397 6.594 1.00 56.23 C ATOM 936 O THR A 61 23.497 16.774 7.371 1.00 51.88 O ATOM 937 CB THR A 61 21.442 18.589 6.708 1.00 68.08 C ATOM 938 OG1 THR A 61 20.011 18.528 6.811 1.00 72.94 O ATOM 939 CG2 THR A 61 21.782 19.952 6.135 1.00 63.29 C ATOM 940 HA THR A 61 22.603 17.848 5.021 1.00 0.00 H ATOM 941 HB THR A 61 21.936 18.458 7.671 1.00 0.00 H ATOM 942 HG1 THR A 61 19.694 19.246 7.414 1.00 0.00 H ATOM 943 HG23 THR A 61 22.864 20.044 6.038 1.00 0.00 H ATOM 944 HG21 THR A 61 21.318 20.059 5.155 1.00 0.00 H ATOM 945 HG22 THR A 61 21.408 20.729 6.802 1.00 0.00 H ATOM 946 H THR A 61 20.033 16.507 5.629 1.00 0.00 H ATOM 947 N GLY A 62 22.248 15.133 6.436 1.00 47.79 N ATOM 948 CA GLY A 62 22.927 13.989 6.990 1.00 27.89 C ATOM 949 C GLY A 62 22.410 13.364 8.259 1.00 36.37 C ATOM 950 O GLY A 62 22.907 12.310 8.702 1.00 26.77 O ATOM 951 HA3 GLY A 62 23.956 14.293 7.182 1.00 0.00 H ATOM 952 HA2 GLY A 62 22.915 13.212 6.226 1.00 0.00 H ATOM 953 H GLY A 62 21.397 14.953 5.865 1.00 0.00 H ATOM 954 N SER A 63 21.426 13.917 8.968 1.00 33.37 N ATOM 955 CA SER A 63 21.115 13.283 10.271 1.00 41.43 C ATOM 956 C SER A 63 20.037 12.215 10.144 1.00 38.88 C ATOM 957 O SER A 63 19.500 12.012 9.047 1.00 26.58 O ATOM 958 CB SER A 63 20.753 14.362 11.285 1.00 41.58 C ATOM 959 OG SER A 63 19.557 15.043 10.971 1.00 42.52 O ATOM 960 HA SER A 63 22.001 12.760 10.629 1.00 0.00 H ATOM 961 HB2 SER A 63 21.565 15.088 11.323 1.00 0.00 H ATOM 962 HB3 SER A 63 20.639 13.894 12.263 1.00 0.00 H ATOM 963 HG SER A 63 19.650 15.481 10.088 1.00 0.00 H ATOM 964 H SER A 63 20.904 14.749 8.625 1.00 0.00 H ATOM 965 N TRP A 64 19.706 11.495 11.219 1.00 33.76 N ATOM 966 CA TRP A 64 18.762 10.385 11.123 1.00 30.64 C ATOM 967 C TRP A 64 17.568 10.537 12.057 1.00 27.43 C ATOM 968 O TRP A 64 17.719 11.063 13.156 1.00 22.05 O ATOM 969 CB TRP A 64 19.461 9.062 11.461 1.00 26.89 C ATOM 970 CG TRP A 64 20.550 8.688 10.507 1.00 30.02 C ATOM 971 CD1 TRP A 64 21.859 9.089 10.563 1.00 29.70 C ATOM 972 CD2 TRP A 64 20.440 7.845 9.355 1.00 25.63 C ATOM 973 NE1 TRP A 64 22.564 8.544 9.517 1.00 27.70 N ATOM 974 CE2 TRP A 64 21.716 7.777 8.761 1.00 30.04 C ATOM 975 CE3 TRP A 64 19.390 7.136 8.761 1.00 28.10 C ATOM 976 CZ2 TRP A 64 21.974 7.033 7.610 1.00 35.90 C ATOM 977 CZ3 TRP A 64 19.656 6.403 7.619 1.00 35.40 C ATOM 978 CH2 TRP A 64 20.931 6.354 7.049 1.00 35.44 C ATOM 979 HA TRP A 64 18.398 10.388 10.096 1.00 0.00 H ATOM 980 HB2 TRP A 64 19.893 9.147 12.458 1.00 0.00 H ATOM 981 HB3 TRP A 64 18.714 8.268 11.457 1.00 0.00 H ATOM 982 HE1 TRP A 64 23.576 8.690 9.329 1.00 0.00 H ATOM 983 HD1 TRP A 64 22.280 9.744 11.326 1.00 0.00 H ATOM 984 HZ2 TRP A 64 22.972 6.995 7.174 1.00 0.00 H ATOM 985 HH2 TRP A 64 21.095 5.767 6.146 1.00 0.00 H ATOM 986 HZ3 TRP A 64 18.846 5.846 7.149 1.00 0.00 H ATOM 987 HE3 TRP A 64 18.387 7.161 9.188 1.00 0.00 H ATOM 988 H TRP A 64 20.128 11.729 12.140 1.00 0.00 H ATOM 989 N SER A 65 16.396 10.060 11.647 1.00 18.21 N ATOM 990 CA SER A 65 15.238 10.069 12.535 1.00 19.85 C ATOM 991 C SER A 65 14.307 8.893 12.250 1.00 16.00 C ATOM 992 O SER A 65 14.348 8.330 11.150 1.00 19.33 O ATOM 993 CB SER A 65 14.425 11.353 12.365 1.00 22.30 C ATOM 994 OG SER A 65 13.903 11.407 11.044 1.00 27.22 O ATOM 995 HA SER A 65 15.628 9.998 13.550 1.00 0.00 H ATOM 996 HB2 SER A 65 15.067 12.217 12.539 1.00 0.00 H ATOM 997 HB3 SER A 65 13.604 11.362 13.082 1.00 0.00 H ATOM 998 HG SER A 65 14.650 11.399 10.395 1.00 0.00 H ATOM 999 H SER A 65 16.304 9.677 10.684 1.00 0.00 H ATOM 1000 N ALA A 66 13.476 8.548 13.230 1.00 15.47 N ATOM 1001 CA ALA A 66 12.535 7.446 13.062 1.00 12.37 C ATOM 1002 C ALA A 66 11.153 8.038 12.828 1.00 17.00 C ATOM 1003 O ALA A 66 10.916 9.088 13.413 1.00 16.55 O ATOM 1004 CB ALA A 66 12.498 6.560 14.292 1.00 13.07 C ATOM 1005 HA ALA A 66 12.850 6.833 12.217 1.00 0.00 H ATOM 1006 HB1 ALA A 66 13.490 6.145 14.469 1.00 0.00 H ATOM 1007 HB2 ALA A 66 12.190 7.151 15.155 1.00 0.00 H ATOM 1008 HB3 ALA A 66 11.787 5.749 14.133 1.00 0.00 H ATOM 1009 H ALA A 66 13.498 9.071 14.128 1.00 0.00 H ATOM 1010 N GLU A 67 10.289 7.394 12.062 1.00 16.26 N ATOM 1011 CA GLU A 67 8.889 7.816 11.987 1.00 15.19 C ATOM 1012 C GLU A 67 8.309 7.979 13.393 1.00 12.73 C ATOM 1013 O GLU A 67 8.468 7.147 14.267 1.00 11.48 O ATOM 1014 CB GLU A 67 8.030 6.817 11.204 1.00 19.01 C ATOM 1015 CG GLU A 67 7.261 7.460 10.065 1.00 33.07 C ATOM 1016 CD GLU A 67 6.076 6.650 9.586 1.00 47.63 C ATOM 1017 OE1 GLU A 67 6.228 5.482 9.172 1.00 34.60 O ATOM 1018 OE2 GLU A 67 4.945 7.190 9.615 1.00 68.04 O ATOM 1019 HA GLU A 67 8.870 8.770 11.461 1.00 0.00 H ATOM 1020 HB2 GLU A 67 8.682 6.047 10.792 1.00 0.00 H ATOM 1021 HB3 GLU A 67 7.317 6.359 11.890 1.00 0.00 H ATOM 1022 HG2 GLU A 67 6.899 8.431 10.401 1.00 0.00 H ATOM 1023 HG3 GLU A 67 7.943 7.599 9.226 1.00 0.00 H ATOM 1024 H GLU A 67 10.608 6.576 11.505 1.00 0.00 H ATOM 1025 N THR A 68 7.641 9.120 13.540 1.00 11.25 N ATOM 1026 CA THR A 68 7.169 9.586 14.834 1.00 12.24 C ATOM 1027 C THR A 68 5.693 9.917 14.813 1.00 14.21 C ATOM 1028 O THR A 68 5.113 10.492 13.889 1.00 16.23 O ATOM 1029 CB THR A 68 7.978 10.829 15.251 1.00 13.08 C ATOM 1030 OG1 THR A 68 9.380 10.520 15.256 1.00 15.04 O ATOM 1031 CG2 THR A 68 7.601 11.208 16.671 1.00 19.30 C ATOM 1032 HA THR A 68 7.313 8.782 15.556 1.00 0.00 H ATOM 1033 HB THR A 68 7.766 11.637 14.551 1.00 0.00 H ATOM 1034 HG1 THR A 68 9.658 10.238 14.349 1.00 0.00 H ATOM 1035 HG23 THR A 68 6.539 11.451 16.711 1.00 0.00 H ATOM 1036 HG21 THR A 68 7.809 10.370 17.337 1.00 0.00 H ATOM 1037 HG22 THR A 68 8.185 12.074 16.982 1.00 0.00 H ATOM 1038 H THR A 68 7.449 9.700 12.698 1.00 0.00 H ATOM 1039 N ALA A 69 5.018 9.571 15.902 1.00 15.18 N ATOM 1040 CA ALA A 69 3.575 9.823 15.913 1.00 20.21 C ATOM 1041 C ALA A 69 3.212 11.300 15.882 1.00 24.06 C ATOM 1042 O ALA A 69 3.929 12.209 16.302 1.00 15.53 O ATOM 1043 CB ALA A 69 2.984 9.149 17.152 1.00 21.33 C ATOM 1044 HA ALA A 69 3.154 9.404 14.999 1.00 0.00 H ATOM 1045 HB1 ALA A 69 3.178 8.077 17.109 1.00 0.00 H ATOM 1046 HB2 ALA A 69 3.446 9.567 18.047 1.00 0.00 H ATOM 1047 HB3 ALA A 69 1.908 9.324 17.181 1.00 0.00 H ATOM 1048 H ALA A 69 5.496 9.137 16.717 1.00 0.00 H ATOM 1049 N PRO A 70 2.016 11.563 15.356 1.00 17.23 N ATOM 1050 CA PRO A 70 1.439 12.906 15.355 1.00 24.57 C ATOM 1051 C PRO A 70 1.368 13.497 16.756 1.00 15.47 C ATOM 1052 O PRO A 70 0.950 12.782 17.672 1.00 21.11 O ATOM 1053 CB PRO A 70 0.013 12.659 14.856 1.00 27.39 C ATOM 1054 CG PRO A 70 0.147 11.448 13.987 1.00 32.80 C ATOM 1055 CD PRO A 70 1.139 10.568 14.710 1.00 17.18 C ATOM 1056 HA PRO A 70 2.026 13.602 14.756 1.00 0.00 H ATOM 1057 HD3 PRO A 70 0.645 9.936 15.448 1.00 0.00 H ATOM 1058 HD2 PRO A 70 1.696 9.942 14.013 1.00 0.00 H ATOM 1059 HG3 PRO A 70 0.522 11.721 13.001 1.00 0.00 H ATOM 1060 HG2 PRO A 70 -0.812 10.941 13.882 1.00 0.00 H ATOM 1061 HB2 PRO A 70 -0.663 12.467 15.689 1.00 0.00 H ATOM 1062 HB3 PRO A 70 -0.352 13.511 14.282 1.00 0.00 H ATOM 1063 N GLY A 71 1.769 14.759 16.865 1.00 27.95 N ATOM 1064 CA GLY A 71 1.799 15.473 18.126 1.00 31.56 C ATOM 1065 C GLY A 71 2.959 15.101 19.038 1.00 35.09 C ATOM 1066 O GLY A 71 2.914 15.380 20.244 1.00 50.53 O ATOM 1067 HA3 GLY A 71 0.869 15.266 18.656 1.00 0.00 H ATOM 1068 HA2 GLY A 71 1.864 16.540 17.911 1.00 0.00 H ATOM 1069 H GLY A 71 2.076 15.258 16.005 1.00 0.00 H ATOM 1070 N VAL A 72 4.017 14.482 18.536 1.00 21.58 N ATOM 1071 CA VAL A 72 5.178 14.085 19.345 1.00 15.41 C ATOM 1072 C VAL A 72 6.404 14.730 18.745 1.00 18.77 C ATOM 1073 O VAL A 72 6.607 14.766 17.522 1.00 23.93 O ATOM 1074 CB VAL A 72 5.328 12.555 19.411 1.00 21.04 C ATOM 1075 CG1 VAL A 72 6.569 12.158 20.196 1.00 15.11 C ATOM 1076 CG2 VAL A 72 4.125 11.872 20.052 1.00 20.89 C ATOM 1077 HA VAL A 72 5.042 14.422 20.373 1.00 0.00 H ATOM 1078 HB VAL A 72 5.410 12.224 18.376 1.00 0.00 H ATOM 1079 HG11 VAL A 72 7.452 12.574 19.712 1.00 0.00 H ATOM 1080 HG12 VAL A 72 6.494 12.545 21.212 1.00 0.00 H ATOM 1081 HG13 VAL A 72 6.647 11.071 20.225 1.00 0.00 H ATOM 1082 HG21 VAL A 72 4.000 12.240 21.070 1.00 0.00 H ATOM 1083 HG22 VAL A 72 3.230 12.095 19.471 1.00 0.00 H ATOM 1084 HG23 VAL A 72 4.288 10.794 20.071 1.00 0.00 H ATOM 1085 H VAL A 72 4.027 14.266 17.519 1.00 0.00 H ATOM 1086 N HIS A 73 7.263 15.271 19.600 1.00 24.52 N ATOM 1087 CA HIS A 73 8.476 15.915 19.076 1.00 26.41 C ATOM 1088 C HIS A 73 9.371 14.883 18.403 1.00 24.53 C ATOM 1089 O HIS A 73 9.719 13.910 19.073 1.00 23.78 O ATOM 1090 CB HIS A 73 9.195 16.630 20.218 1.00 27.27 C ATOM 1091 CG HIS A 73 10.594 17.052 19.912 1.00 42.74 C ATOM 1092 ND1 HIS A 73 10.890 18.124 19.094 1.00 45.34 N ATOM 1093 CD2 HIS A 73 11.787 16.550 20.312 1.00 48.29 C ATOM 1094 CE1 HIS A 73 12.200 18.259 19.004 1.00 43.29 C ATOM 1095 NE2 HIS A 73 12.773 17.316 19.735 1.00 49.42 N ATOM 1096 HA HIS A 73 8.210 16.654 18.320 1.00 0.00 H ATOM 1097 HB2 HIS A 73 8.621 17.520 20.476 1.00 0.00 H ATOM 1098 HB3 HIS A 73 9.224 15.957 21.075 1.00 0.00 H ATOM 1099 HD2 HIS A 73 11.938 15.695 20.971 1.00 0.00 H ATOM 1100 HE1 HIS A 73 12.723 19.020 18.424 1.00 0.00 H ATOM 1101 H HIS A 73 7.081 15.240 20.623 1.00 0.00 H ATOM 1102 N LYS A 74 9.738 15.074 17.131 1.00 21.15 N ATOM 1103 CA LYS A 74 10.644 14.153 16.452 1.00 22.31 C ATOM 1104 C LYS A 74 12.105 14.378 16.824 1.00 25.16 C ATOM 1105 O LYS A 74 12.614 15.508 16.853 1.00 31.56 O ATOM 1106 CB LYS A 74 10.446 14.285 14.941 1.00 20.27 C ATOM 1107 CG LYS A 74 11.385 13.397 14.123 1.00 21.12 C ATOM 1108 CD LYS A 74 10.982 13.546 12.642 1.00 24.63 C ATOM 1109 CE LYS A 74 11.099 12.212 11.932 1.00 27.53 C ATOM 1110 NZ LYS A 74 10.199 12.091 10.752 1.00 32.42 N ATOM 1111 HA LYS A 74 10.401 13.142 16.778 1.00 0.00 H ATOM 1112 HB2 LYS A 74 9.418 14.013 14.702 1.00 0.00 H ATOM 1113 HB3 LYS A 74 10.620 15.323 14.659 1.00 0.00 H ATOM 1114 HG2 LYS A 74 12.418 13.717 14.263 1.00 0.00 H ATOM 1115 HG3 LYS A 74 11.282 12.358 14.435 1.00 0.00 H ATOM 1116 HD2 LYS A 74 9.952 13.897 12.582 1.00 0.00 H ATOM 1117 HD3 LYS A 74 11.640 14.270 12.160 1.00 0.00 H ATOM 1118 HE2 LYS A 74 10.851 11.421 12.639 1.00 0.00 H ATOM 1119 HE3 LYS A 74 12.129 12.088 11.596 1.00 0.00 H ATOM 1120 HZ1 LYS A 74 9.211 12.197 11.059 1.00 0.00 H ATOM 1121 HZ2 LYS A 74 10.431 12.834 10.063 1.00 0.00 H ATOM 1122 HZ3 LYS A 74 10.328 11.157 10.313 1.00 0.00 H ATOM 1123 H LYS A 74 9.369 15.898 16.614 1.00 0.00 H ATOM 1124 N ARG A 75 12.852 13.316 17.139 1.00 19.90 N ATOM 1125 CA ARG A 75 14.263 13.462 17.516 1.00 13.44 C ATOM 1126 C ARG A 75 15.167 13.166 16.330 1.00 24.01 C ATOM 1127 O ARG A 75 14.869 12.190 15.619 1.00 20.29 O ATOM 1128 CB ARG A 75 14.595 12.524 18.682 1.00 14.82 C ATOM 1129 CG ARG A 75 14.032 13.021 20.016 1.00 16.71 C ATOM 1130 CD ARG A 75 14.218 12.016 21.138 1.00 23.23 C ATOM 1131 NE ARG A 75 13.111 11.063 21.193 1.00 24.75 N ATOM 1132 CZ ARG A 75 13.154 9.866 21.765 1.00 25.39 C ATOM 1133 NH1 ARG A 75 14.263 9.421 22.355 1.00 13.43 N ATOM 1134 NH2 ARG A 75 12.068 9.100 21.747 1.00 24.35 N ATOM 1135 HA ARG A 75 14.434 14.492 17.830 1.00 0.00 H ATOM 1136 HB2 ARG A 75 14.175 11.541 18.470 1.00 0.00 H ATOM 1137 HB3 ARG A 75 15.679 12.444 18.768 1.00 0.00 H ATOM 1138 HG2 ARG A 75 14.541 13.946 20.287 1.00 0.00 H ATOM 1139 HG3 ARG A 75 12.967 13.216 19.895 1.00 0.00 H ATOM 1140 HD2 ARG A 75 14.273 12.550 22.087 1.00 0.00 H ATOM 1141 HD3 ARG A 75 15.147 11.471 20.975 1.00 0.00 H ATOM 1142 HE ARG A 75 12.215 11.346 20.747 1.00 0.00 H ATOM 1143 HH12 ARG A 75 14.275 8.480 22.797 1.00 0.00 H ATOM 1144 HH11 ARG A 75 15.117 10.015 22.373 1.00 0.00 H ATOM 1145 HH22 ARG A 75 12.087 8.160 22.191 1.00 0.00 H ATOM 1146 HH21 ARG A 75 11.199 9.441 21.289 1.00 0.00 H ATOM 1147 H ARG A 75 12.426 12.368 17.117 1.00 0.00 H ATOM 1148 N TYR A 76 16.215 13.961 16.120 1.00 16.06 N ATOM 1149 CA TYR A 76 17.190 13.675 15.065 1.00 24.98 C ATOM 1150 C TYR A 76 18.520 13.232 15.648 1.00 25.55 C ATOM 1151 O TYR A 76 18.881 13.579 16.777 1.00 27.98 O ATOM 1152 CB TYR A 76 17.376 14.894 14.150 1.00 21.37 C ATOM 1153 CG TYR A 76 16.117 15.172 13.363 1.00 24.02 C ATOM 1154 CD1 TYR A 76 15.992 14.693 12.061 1.00 20.82 C ATOM 1155 CD2 TYR A 76 15.073 15.894 13.915 1.00 31.02 C ATOM 1156 CE1 TYR A 76 14.836 14.955 11.366 1.00 20.50 C ATOM 1157 CE2 TYR A 76 13.905 16.161 13.217 1.00 28.80 C ATOM 1158 CZ TYR A 76 13.807 15.678 11.928 1.00 33.75 C ATOM 1159 OH TYR A 76 12.673 15.909 11.178 1.00 44.70 O ATOM 1160 HA TYR A 76 16.799 12.853 14.466 1.00 0.00 H ATOM 1161 HB3 TYR A 76 18.195 14.700 13.457 1.00 0.00 H ATOM 1162 HB2 TYR A 76 17.616 15.765 14.759 1.00 0.00 H ATOM 1163 HD2 TYR A 76 15.173 16.266 14.935 1.00 0.00 H ATOM 1164 HE2 TYR A 76 13.094 16.731 13.670 1.00 0.00 H ATOM 1165 HE1 TYR A 76 14.731 14.582 10.347 1.00 0.00 H ATOM 1166 HD1 TYR A 76 16.797 14.120 11.601 1.00 0.00 H ATOM 1167 HH TYR A 76 12.778 15.493 10.286 1.00 0.00 H ATOM 1168 H TYR A 76 16.344 14.802 16.718 1.00 0.00 H ATOM 1169 N PHE A 77 19.304 12.436 14.920 1.00 19.60 N ATOM 1170 CA PHE A 77 20.570 11.961 15.474 1.00 26.14 C ATOM 1171 C PHE A 77 21.648 12.091 14.399 1.00 31.88 C ATOM 1172 O PHE A 77 21.356 11.762 13.253 1.00 26.37 O ATOM 1173 CB PHE A 77 20.485 10.510 15.928 1.00 21.51 C ATOM 1174 CG PHE A 77 19.438 10.260 17.008 1.00 25.38 C ATOM 1175 CD1 PHE A 77 18.132 9.946 16.686 1.00 22.69 C ATOM 1176 CD2 PHE A 77 19.791 10.343 18.343 1.00 26.45 C ATOM 1177 CE1 PHE A 77 17.177 9.719 17.671 1.00 25.90 C ATOM 1178 CE2 PHE A 77 18.845 10.135 19.336 1.00 25.32 C ATOM 1179 CZ PHE A 77 17.538 9.829 19.002 1.00 23.72 C ATOM 1180 HA PHE A 77 20.811 12.566 16.348 1.00 0.00 H ATOM 1181 HB2 PHE A 77 20.240 9.893 15.063 1.00 0.00 H ATOM 1182 HB3 PHE A 77 21.459 10.215 16.319 1.00 0.00 H ATOM 1183 HD2 PHE A 77 20.821 10.574 18.617 1.00 0.00 H ATOM 1184 HE2 PHE A 77 19.133 10.213 20.384 1.00 0.00 H ATOM 1185 HZ PHE A 77 16.795 9.675 19.785 1.00 0.00 H ATOM 1186 HE1 PHE A 77 16.155 9.457 17.397 1.00 0.00 H ATOM 1187 HD1 PHE A 77 17.844 9.875 15.637 1.00 0.00 H ATOM 1188 H PHE A 77 19.015 12.154 13.961 1.00 0.00 H ATOM 1189 N ARG A 78 22.849 12.539 14.729 1.00 22.82 N ATOM 1190 CA ARG A 78 23.905 12.679 13.738 1.00 21.31 C ATOM 1191 C ARG A 78 24.321 11.350 13.131 1.00 18.97 C ATOM 1192 O ARG A 78 24.524 11.188 11.936 1.00 27.84 O ATOM 1193 CB ARG A 78 25.158 13.289 14.383 1.00 32.52 C ATOM 1194 CG ARG A 78 25.256 14.791 14.480 1.00 37.39 C ATOM 1195 CD ARG A 78 26.613 15.222 15.051 1.00 31.18 C ATOM 1196 NE ARG A 78 27.695 14.783 14.184 1.00 25.98 N ATOM 1197 CZ ARG A 78 28.679 13.936 14.416 1.00 30.16 C ATOM 1198 NH1 ARG A 78 28.818 13.325 15.581 1.00 31.49 N ATOM 1199 NH2 ARG A 78 29.577 13.670 13.459 1.00 28.47 N ATOM 1200 HA ARG A 78 23.499 13.319 12.955 1.00 0.00 H ATOM 1201 HB2 ARG A 78 25.223 12.895 15.397 1.00 0.00 H ATOM 1202 HB3 ARG A 78 26.017 12.946 13.806 1.00 0.00 H ATOM 1203 HG2 ARG A 78 25.136 15.221 13.485 1.00 0.00 H ATOM 1204 HG3 ARG A 78 24.463 15.158 15.131 1.00 0.00 H ATOM 1205 HD2 ARG A 78 26.743 14.780 16.039 1.00 0.00 H ATOM 1206 HD3 ARG A 78 26.638 16.309 15.134 1.00 0.00 H ATOM 1207 HE ARG A 78 27.692 15.203 13.232 1.00 0.00 H ATOM 1208 HH12 ARG A 78 29.606 12.663 15.730 1.00 0.00 H ATOM 1209 HH11 ARG A 78 28.139 13.507 16.348 1.00 0.00 H ATOM 1210 HH22 ARG A 78 30.352 13.002 13.644 1.00 0.00 H ATOM 1211 HH21 ARG A 78 29.499 14.132 12.530 1.00 0.00 H ATOM 1212 H ARG A 78 23.042 12.796 15.718 1.00 0.00 H ATOM 1213 N LYS A 79 24.510 10.372 13.997 1.00 24.55 N ATOM 1214 CA LYS A 79 24.955 9.040 13.634 1.00 24.97 C ATOM 1215 C LYS A 79 23.805 8.050 13.809 1.00 31.13 C ATOM 1216 O LYS A 79 23.047 8.189 14.783 1.00 20.90 O ATOM 1217 CB LYS A 79 26.126 8.627 14.525 1.00 26.12 C ATOM 1218 CG LYS A 79 27.239 9.669 14.613 1.00 33.24 C ATOM 1219 CD LYS A 79 27.721 10.067 13.234 1.00 41.36 C ATOM 1220 CE LYS A 79 29.221 9.881 13.084 1.00 51.17 C ATOM 1221 NZ LYS A 79 29.592 8.436 13.032 1.00 59.98 N ATOM 1222 HA LYS A 79 25.277 9.040 12.593 1.00 0.00 H ATOM 1223 HB2 LYS A 79 25.745 8.447 15.530 1.00 0.00 H ATOM 1224 HB3 LYS A 79 26.550 7.705 14.128 1.00 0.00 H ATOM 1225 HG2 LYS A 79 26.861 10.552 15.127 1.00 0.00 H ATOM 1226 HG3 LYS A 79 28.074 9.252 15.176 1.00 0.00 H ATOM 1227 HD2 LYS A 79 27.213 9.452 12.491 1.00 0.00 H ATOM 1228 HD3 LYS A 79 27.477 11.116 13.064 1.00 0.00 H ATOM 1229 HE2 LYS A 79 29.722 10.345 13.933 1.00 0.00 H ATOM 1230 HE3 LYS A 79 29.547 10.364 12.163 1.00 0.00 H ATOM 1231 HZ1 LYS A 79 29.289 7.970 13.911 1.00 0.00 H ATOM 1232 HZ2 LYS A 79 29.122 7.988 12.220 1.00 0.00 H ATOM 1233 HZ3 LYS A 79 30.623 8.348 12.929 1.00 0.00 H ATOM 1234 H LYS A 79 24.329 10.569 15.002 1.00 0.00 H ATOM 1235 N ILE A 80 23.678 7.081 12.916 1.00 27.88 N ATOM 1236 CA ILE A 80 22.653 6.039 13.061 1.00 23.88 C ATOM 1237 C ILE A 80 22.877 5.241 14.331 1.00 25.00 C ATOM 1238 O ILE A 80 21.947 4.781 15.001 1.00 23.49 O ATOM 1239 CB ILE A 80 22.616 5.092 11.840 1.00 31.22 C ATOM 1240 CG1 ILE A 80 21.560 3.984 11.913 1.00 35.70 C ATOM 1241 CG2 ILE A 80 23.993 4.502 11.572 1.00 37.44 C ATOM 1242 CD1 ILE A 80 20.666 3.944 10.689 1.00 36.79 C ATOM 1243 HA ILE A 80 21.688 6.543 13.121 1.00 0.00 H ATOM 1244 HB ILE A 80 22.313 5.722 11.004 1.00 0.00 H ATOM 1245 HG12 ILE A 80 22.068 3.024 12.006 1.00 0.00 H ATOM 1246 HG13 ILE A 80 20.939 4.151 12.793 1.00 0.00 H ATOM 1247 HD11 ILE A 80 20.145 4.896 10.590 1.00 0.00 H ATOM 1248 HD12 ILE A 80 21.274 3.768 9.802 1.00 0.00 H ATOM 1249 HD13 ILE A 80 19.939 3.140 10.798 1.00 0.00 H ATOM 1250 HG21 ILE A 80 24.699 5.308 11.371 1.00 0.00 H ATOM 1251 HG22 ILE A 80 24.321 3.938 12.445 1.00 0.00 H ATOM 1252 HG23 ILE A 80 23.941 3.839 10.708 1.00 0.00 H ATOM 1253 H ILE A 80 24.317 7.057 12.096 1.00 0.00 H ATOM 1254 N LYS A 81 24.145 5.072 14.702 1.00 23.58 N ATOM 1255 CA LYS A 81 24.471 4.330 15.908 1.00 17.64 C ATOM 1256 C LYS A 81 23.935 5.068 17.134 1.00 19.65 C ATOM 1257 O LYS A 81 23.605 4.482 18.159 1.00 23.10 O ATOM 1258 CB LYS A 81 25.988 4.133 16.016 1.00 21.60 C ATOM 1259 CG LYS A 81 26.749 5.450 15.992 1.00 33.41 C ATOM 1260 CD LYS A 81 28.123 5.315 16.622 1.00 49.49 C ATOM 1261 CE LYS A 81 29.114 6.319 16.064 1.00 51.48 C ATOM 1262 NZ LYS A 81 30.405 5.664 15.697 1.00 68.12 N ATOM 1263 HA LYS A 81 24.001 3.348 15.859 1.00 0.00 H ATOM 1264 HB2 LYS A 81 26.208 3.618 16.951 1.00 0.00 H ATOM 1265 HB3 LYS A 81 26.322 3.521 15.178 1.00 0.00 H ATOM 1266 HG2 LYS A 81 26.864 5.773 14.957 1.00 0.00 H ATOM 1267 HG3 LYS A 81 26.179 6.198 16.543 1.00 0.00 H ATOM 1268 HD2 LYS A 81 28.033 5.471 17.697 1.00 0.00 H ATOM 1269 HD3 LYS A 81 28.498 4.309 16.433 1.00 0.00 H ATOM 1270 HE2 LYS A 81 29.305 7.084 16.816 1.00 0.00 H ATOM 1271 HE3 LYS A 81 28.686 6.784 15.175 1.00 0.00 H ATOM 1272 HZ1 LYS A 81 30.821 5.223 16.542 1.00 0.00 H ATOM 1273 HZ2 LYS A 81 30.230 4.936 14.975 1.00 0.00 H ATOM 1274 HZ3 LYS A 81 31.060 6.378 15.319 1.00 0.00 H ATOM 1275 H LYS A 81 24.909 5.475 14.123 1.00 0.00 H ATOM 1276 N ASN A 82 23.844 6.392 17.030 1.00 18.73 N ATOM 1277 CA ASN A 82 23.290 7.202 18.106 1.00 19.31 C ATOM 1278 C ASN A 82 21.775 7.001 18.226 1.00 21.05 C ATOM 1279 O ASN A 82 21.228 6.929 19.339 1.00 17.72 O ATOM 1280 CB ASN A 82 23.517 8.696 17.871 1.00 19.40 C ATOM 1281 CG ASN A 82 24.915 9.245 17.888 1.00 30.88 C ATOM 1282 OD1 ASN A 82 25.854 8.616 18.377 1.00 24.71 O ATOM 1283 ND2 ASN A 82 25.065 10.467 17.346 1.00 31.58 N ATOM 1284 HA ASN A 82 23.802 6.879 19.013 1.00 0.00 H ATOM 1285 HB2 ASN A 82 23.096 8.931 16.893 1.00 0.00 H ATOM 1286 HB3 ASN A 82 22.959 9.227 18.642 1.00 0.00 H ATOM 1287 HD22 ASN A 82 24.243 10.962 16.944 1.00 0.00 H ATOM 1288 HD21 ASN A 82 26.003 10.917 17.329 1.00 0.00 H ATOM 1289 H ASN A 82 24.176 6.858 16.161 1.00 0.00 H ATOM 1290 N LEU A 83 21.103 6.956 17.080 1.00 16.44 N ATOM 1291 CA LEU A 83 19.647 6.693 17.105 1.00 16.69 C ATOM 1292 C LEU A 83 19.438 5.308 17.704 1.00 18.21 C ATOM 1293 O LEU A 83 18.525 5.099 18.509 1.00 21.76 O ATOM 1294 CB LEU A 83 19.025 6.806 15.719 1.00 17.93 C ATOM 1295 CG LEU A 83 17.572 6.448 15.429 1.00 18.05 C ATOM 1296 CD1 LEU A 83 17.081 7.179 14.189 1.00 14.88 C ATOM 1297 CD2 LEU A 83 17.328 4.954 15.198 1.00 12.77 C ATOM 1298 HA LEU A 83 19.146 7.444 17.715 1.00 0.00 H ATOM 1299 HB2 LEU A 83 19.143 7.848 15.421 1.00 0.00 H ATOM 1300 HB3 LEU A 83 19.626 6.172 15.067 1.00 0.00 H ATOM 1301 HG LEU A 83 17.028 6.748 16.325 1.00 0.00 H ATOM 1302 HD21 LEU A 83 17.917 4.619 14.345 1.00 0.00 H ATOM 1303 HD22 LEU A 83 17.624 4.397 16.087 1.00 0.00 H ATOM 1304 HD23 LEU A 83 16.270 4.787 14.999 1.00 0.00 H ATOM 1305 HD11 LEU A 83 17.156 8.255 14.349 1.00 0.00 H ATOM 1306 HD12 LEU A 83 17.694 6.894 13.334 1.00 0.00 H ATOM 1307 HD13 LEU A 83 16.042 6.911 13.998 1.00 0.00 H ATOM 1308 H LEU A 83 21.595 7.104 16.176 1.00 0.00 H ATOM 1309 N ILE A 84 20.270 4.346 17.295 1.00 15.32 N ATOM 1310 CA ILE A 84 20.109 2.995 17.811 1.00 18.99 C ATOM 1311 C ILE A 84 20.400 2.967 19.312 1.00 27.58 C ATOM 1312 O ILE A 84 19.669 2.313 20.077 1.00 18.33 O ATOM 1313 CB ILE A 84 20.966 1.961 17.064 1.00 25.00 C ATOM 1314 CG1 ILE A 84 20.577 1.774 15.591 1.00 21.79 C ATOM 1315 CG2 ILE A 84 20.926 0.620 17.789 1.00 13.39 C ATOM 1316 CD1 ILE A 84 21.617 0.941 14.851 1.00 27.35 C ATOM 1317 HA ILE A 84 19.071 2.708 17.641 1.00 0.00 H ATOM 1318 HB ILE A 84 21.981 2.359 17.062 1.00 0.00 H ATOM 1319 HG12 ILE A 84 19.613 1.269 15.538 1.00 0.00 H ATOM 1320 HG13 ILE A 84 20.500 2.752 15.116 1.00 0.00 H ATOM 1321 HD11 ILE A 84 22.583 1.444 14.896 1.00 0.00 H ATOM 1322 HD12 ILE A 84 21.695 -0.040 15.319 1.00 0.00 H ATOM 1323 HD13 ILE A 84 21.314 0.825 13.810 1.00 0.00 H ATOM 1324 HG21 ILE A 84 21.315 0.743 18.800 1.00 0.00 H ATOM 1325 HG22 ILE A 84 19.897 0.264 17.835 1.00 0.00 H ATOM 1326 HG23 ILE A 84 21.538 -0.102 17.248 1.00 0.00 H ATOM 1327 H ILE A 84 21.026 4.561 16.614 1.00 0.00 H ATOM 1328 N SER A 85 21.433 3.689 19.759 1.00 23.02 N ATOM 1329 CA SER A 85 21.682 3.687 21.197 1.00 19.14 C ATOM 1330 C SER A 85 20.520 4.280 21.985 1.00 14.41 C ATOM 1331 O SER A 85 20.214 3.787 23.071 1.00 15.48 O ATOM 1332 CB SER A 85 22.936 4.478 21.598 1.00 23.67 C ATOM 1333 OG SER A 85 24.073 3.927 20.967 1.00 60.52 O ATOM 1334 HA SER A 85 21.818 2.633 21.438 1.00 0.00 H ATOM 1335 HB2 SER A 85 23.064 4.430 22.679 1.00 0.00 H ATOM 1336 HB3 SER A 85 22.821 5.518 21.293 1.00 0.00 H ATOM 1337 HG SER A 85 23.958 3.972 19.985 1.00 0.00 H ATOM 1338 H SER A 85 22.036 4.231 19.107 1.00 0.00 H ATOM 1339 N ALA A 86 19.917 5.330 21.448 1.00 15.86 N ATOM 1340 CA ALA A 86 18.803 5.930 22.180 1.00 19.45 C ATOM 1341 C ALA A 86 17.685 4.927 22.420 1.00 18.35 C ATOM 1342 O ALA A 86 17.126 4.832 23.509 1.00 14.72 O ATOM 1343 CB ALA A 86 18.246 7.140 21.454 1.00 12.61 C ATOM 1344 HA ALA A 86 19.202 6.249 23.143 1.00 0.00 H ATOM 1345 HB1 ALA A 86 19.030 7.889 21.344 1.00 0.00 H ATOM 1346 HB2 ALA A 86 17.889 6.839 20.469 1.00 0.00 H ATOM 1347 HB3 ALA A 86 17.420 7.558 22.029 1.00 0.00 H ATOM 1348 H ALA A 86 20.227 5.716 20.533 1.00 0.00 H ATOM 1349 N PHE A 87 17.329 4.177 21.387 1.00 16.35 N ATOM 1350 CA PHE A 87 16.161 3.294 21.475 1.00 13.55 C ATOM 1351 C PHE A 87 16.509 1.993 22.160 1.00 10.00 C ATOM 1352 O PHE A 87 15.671 1.129 22.374 1.00 14.62 O ATOM 1353 CB PHE A 87 15.576 3.138 20.056 1.00 12.14 C ATOM 1354 CG PHE A 87 14.846 4.402 19.617 1.00 13.25 C ATOM 1355 CD1 PHE A 87 15.362 5.203 18.610 1.00 15.25 C ATOM 1356 CD2 PHE A 87 13.648 4.782 20.223 1.00 10.47 C ATOM 1357 CE1 PHE A 87 14.701 6.353 18.211 1.00 16.54 C ATOM 1358 CE2 PHE A 87 12.986 5.923 19.823 1.00 12.06 C ATOM 1359 CZ PHE A 87 13.514 6.729 18.827 1.00 13.72 C ATOM 1360 HA PHE A 87 15.385 3.726 22.106 1.00 0.00 H ATOM 1361 HB2 PHE A 87 16.388 2.935 19.357 1.00 0.00 H ATOM 1362 HB3 PHE A 87 14.876 2.303 20.050 1.00 0.00 H ATOM 1363 HD2 PHE A 87 13.231 4.169 21.022 1.00 0.00 H ATOM 1364 HE2 PHE A 87 12.041 6.193 20.293 1.00 0.00 H ATOM 1365 HZ PHE A 87 13.005 7.646 18.531 1.00 0.00 H ATOM 1366 HE1 PHE A 87 15.114 6.966 17.410 1.00 0.00 H ATOM 1367 HD1 PHE A 87 16.299 4.925 18.127 1.00 0.00 H ATOM 1368 H PHE A 87 17.882 4.215 20.507 1.00 0.00 H ATOM 1369 N GLN A 88 17.738 1.784 22.617 1.00 10.48 N ATOM 1370 CA GLN A 88 18.036 0.688 23.520 1.00 10.98 C ATOM 1371 C GLN A 88 17.651 1.033 24.967 1.00 10.62 C ATOM 1372 O GLN A 88 17.640 0.141 25.823 1.00 17.78 O ATOM 1373 CB GLN A 88 19.522 0.304 23.533 1.00 11.33 C ATOM 1374 CG GLN A 88 20.069 -0.192 22.209 1.00 12.51 C ATOM 1375 CD GLN A 88 21.593 -0.206 22.180 1.00 19.83 C ATOM 1376 OE1 GLN A 88 22.253 0.406 23.013 1.00 21.24 O ATOM 1377 NE2 GLN A 88 22.178 -0.903 21.218 1.00 21.20 N ATOM 1378 HA GLN A 88 17.448 -0.149 23.144 1.00 0.00 H ATOM 1379 HB2 GLN A 88 20.096 1.183 23.828 1.00 0.00 H ATOM 1380 HB3 GLN A 88 19.661 -0.484 24.273 1.00 0.00 H ATOM 1381 HG2 GLN A 88 19.706 -1.205 22.037 1.00 0.00 H ATOM 1382 HG3 GLN A 88 19.709 0.461 21.414 1.00 0.00 H ATOM 1383 HE22 GLN A 88 21.600 -1.415 20.521 1.00 0.00 H ATOM 1384 HE21 GLN A 88 23.216 -0.938 21.159 1.00 0.00 H ATOM 1385 H GLN A 88 18.505 2.421 22.321 1.00 0.00 H ATOM 1386 N LYS A 89 17.365 2.285 25.286 1.00 10.73 N ATOM 1387 CA LYS A 89 17.008 2.690 26.659 1.00 12.94 C ATOM 1388 C LYS A 89 15.516 2.488 26.931 1.00 18.91 C ATOM 1389 O LYS A 89 14.708 2.508 25.989 1.00 14.93 O ATOM 1390 CB LYS A 89 17.273 4.160 26.916 1.00 12.82 C ATOM 1391 CG LYS A 89 18.713 4.626 26.697 1.00 20.89 C ATOM 1392 CD LYS A 89 18.815 6.079 27.130 1.00 28.53 C ATOM 1393 CE LYS A 89 18.627 7.027 25.956 1.00 53.52 C ATOM 1394 NZ LYS A 89 19.916 7.668 25.560 1.00 83.67 N ATOM 1395 HA LYS A 89 17.626 2.066 27.305 1.00 0.00 H ATOM 1396 HB2 LYS A 89 16.630 4.737 26.251 1.00 0.00 H ATOM 1397 HB3 LYS A 89 17.007 4.372 27.952 1.00 0.00 H ATOM 1398 HG2 LYS A 89 19.393 4.015 27.291 1.00 0.00 H ATOM 1399 HG3 LYS A 89 18.974 4.536 25.642 1.00 0.00 H ATOM 1400 HD2 LYS A 89 18.046 6.281 27.875 1.00 0.00 H ATOM 1401 HD3 LYS A 89 19.798 6.250 27.569 1.00 0.00 H ATOM 1402 HE2 LYS A 89 17.916 7.804 26.238 1.00 0.00 H ATOM 1403 HE3 LYS A 89 18.234 6.467 25.107 1.00 0.00 H ATOM 1404 HZ1 LYS A 89 20.294 8.209 26.364 1.00 0.00 H ATOM 1405 HZ2 LYS A 89 20.597 6.932 25.284 1.00 0.00 H ATOM 1406 HZ3 LYS A 89 19.751 8.308 24.757 1.00 0.00 H ATOM 1407 H LYS A 89 17.393 3.010 24.541 1.00 0.00 H ATOM 1408 N PRO A 90 15.122 2.296 28.181 1.00 14.21 N ATOM 1409 CA PRO A 90 13.696 2.126 28.470 1.00 16.17 C ATOM 1410 C PRO A 90 12.865 3.394 28.261 1.00 15.43 C ATOM 1411 O PRO A 90 13.298 4.541 28.429 1.00 11.37 O ATOM 1412 CB PRO A 90 13.698 1.707 29.959 1.00 14.38 C ATOM 1413 CG PRO A 90 15.100 1.285 30.240 1.00 16.46 C ATOM 1414 CD PRO A 90 15.967 2.183 29.389 1.00 12.52 C ATOM 1415 HA PRO A 90 13.234 1.404 27.797 1.00 0.00 H ATOM 1416 HD3 PRO A 90 16.129 3.152 29.860 1.00 0.00 H ATOM 1417 HD2 PRO A 90 16.930 1.723 29.167 1.00 0.00 H ATOM 1418 HG3 PRO A 90 15.247 0.241 29.965 1.00 0.00 H ATOM 1419 HG2 PRO A 90 15.334 1.418 31.296 1.00 0.00 H ATOM 1420 HB2 PRO A 90 13.416 2.547 30.594 1.00 0.00 H ATOM 1421 HB3 PRO A 90 13.008 0.880 30.125 1.00 0.00 H ATOM 1422 N ASP A 91 11.607 3.191 27.886 1.00 12.43 N ATOM 1423 CA ASP A 91 10.582 4.231 27.763 1.00 13.58 C ATOM 1424 C ASP A 91 10.926 5.338 26.776 1.00 22.24 C ATOM 1425 O ASP A 91 10.918 6.524 27.108 1.00 10.45 O ATOM 1426 CB ASP A 91 10.321 4.875 29.133 1.00 13.27 C ATOM 1427 CG ASP A 91 9.045 5.700 29.089 1.00 17.49 C ATOM 1428 OD1 ASP A 91 8.908 6.534 30.009 1.00 15.82 O ATOM 1429 OD2 ASP A 91 8.196 5.521 28.182 1.00 12.40 O ATOM 1430 HA ASP A 91 9.698 3.720 27.380 1.00 0.00 H ATOM 1431 HB2 ASP A 91 10.219 4.093 29.886 1.00 0.00 H ATOM 1432 HB3 ASP A 91 11.159 5.521 29.393 1.00 0.00 H ATOM 1433 H ASP A 91 11.327 2.215 27.662 1.00 0.00 H ATOM 1434 N GLN A 92 11.228 4.986 25.529 1.00 14.00 N ATOM 1435 CA GLN A 92 11.560 5.990 24.528 1.00 15.50 C ATOM 1436 C GLN A 92 10.470 6.061 23.455 1.00 16.10 C ATOM 1437 O GLN A 92 10.695 6.746 22.455 1.00 16.27 O ATOM 1438 CB GLN A 92 12.925 5.649 23.908 1.00 18.10 C ATOM 1439 CG GLN A 92 14.045 5.526 24.938 1.00 11.10 C ATOM 1440 CD GLN A 92 14.284 6.878 25.601 1.00 20.58 C ATOM 1441 OE1 GLN A 92 14.406 7.925 24.959 1.00 14.69 O ATOM 1442 NE2 GLN A 92 14.335 6.835 26.925 1.00 15.52 N ATOM 1443 HA GLN A 92 11.619 6.971 25.000 1.00 0.00 H ATOM 1444 HB2 GLN A 92 12.837 4.701 23.378 1.00 0.00 H ATOM 1445 HB3 GLN A 92 13.190 6.435 23.201 1.00 0.00 H ATOM 1446 HG2 GLN A 92 13.762 4.795 25.696 1.00 0.00 H ATOM 1447 HG3 GLN A 92 14.959 5.198 24.443 1.00 0.00 H ATOM 1448 HE22 GLN A 92 14.227 5.927 27.420 1.00 0.00 H ATOM 1449 HE21 GLN A 92 14.483 7.709 27.468 1.00 0.00 H ATOM 1450 H GLN A 92 11.227 3.980 25.266 1.00 0.00 H ATOM 1451 N GLY A 93 9.341 5.375 23.639 1.00 11.13 N ATOM 1452 CA GLY A 93 8.206 5.431 22.733 1.00 13.75 C ATOM 1453 C GLY A 93 8.171 4.351 21.670 1.00 23.50 C ATOM 1454 O GLY A 93 7.454 4.486 20.664 1.00 19.23 O ATOM 1455 HA3 GLY A 93 8.224 6.398 22.230 1.00 0.00 H ATOM 1456 HA2 GLY A 93 7.296 5.348 23.327 1.00 0.00 H ATOM 1457 H GLY A 93 9.269 4.765 24.479 1.00 0.00 H ATOM 1458 N ILE A 94 8.921 3.250 21.852 1.00 11.42 N ATOM 1459 CA ILE A 94 8.762 2.102 20.944 1.00 10.51 C ATOM 1460 C ILE A 94 8.269 0.905 21.763 1.00 16.37 C ATOM 1461 O ILE A 94 8.270 0.970 22.992 1.00 11.97 O ATOM 1462 CB ILE A 94 10.047 1.787 20.161 1.00 15.59 C ATOM 1463 CG1 ILE A 94 11.266 1.356 20.993 1.00 11.11 C ATOM 1464 CG2 ILE A 94 10.420 2.974 19.285 1.00 12.30 C ATOM 1465 CD1 ILE A 94 12.358 0.741 20.140 1.00 10.21 C ATOM 1466 HA ILE A 94 8.023 2.347 20.181 1.00 0.00 H ATOM 1467 HB ILE A 94 9.795 0.908 19.568 1.00 0.00 H ATOM 1468 HG12 ILE A 94 11.670 2.231 21.502 1.00 0.00 H ATOM 1469 HG13 ILE A 94 10.944 0.623 21.733 1.00 0.00 H ATOM 1470 HD11 ILE A 94 11.967 -0.141 19.632 1.00 0.00 H ATOM 1471 HD12 ILE A 94 12.694 1.469 19.401 1.00 0.00 H ATOM 1472 HD13 ILE A 94 13.196 0.454 20.776 1.00 0.00 H ATOM 1473 HG21 ILE A 94 9.610 3.175 18.584 1.00 0.00 H ATOM 1474 HG22 ILE A 94 10.585 3.850 19.913 1.00 0.00 H ATOM 1475 HG23 ILE A 94 11.331 2.744 18.733 1.00 0.00 H ATOM 1476 H ILE A 94 9.610 3.210 22.630 1.00 0.00 H ATOM 1477 N VAL A 95 7.834 -0.189 21.156 1.00 11.11 N ATOM 1478 CA VAL A 95 6.967 -1.173 21.828 1.00 11.19 C ATOM 1479 C VAL A 95 7.718 -1.832 22.977 1.00 20.20 C ATOM 1480 O VAL A 95 7.147 -2.068 24.042 1.00 15.94 O ATOM 1481 CB VAL A 95 6.411 -2.163 20.791 1.00 15.14 C ATOM 1482 CG1 VAL A 95 7.559 -2.916 20.119 1.00 18.48 C ATOM 1483 CG2 VAL A 95 5.408 -3.141 21.372 1.00 15.34 C ATOM 1484 HA VAL A 95 6.104 -0.683 22.278 1.00 0.00 H ATOM 1485 HB VAL A 95 5.871 -1.572 20.051 1.00 0.00 H ATOM 1486 HG11 VAL A 95 8.216 -2.204 19.620 1.00 0.00 H ATOM 1487 HG12 VAL A 95 8.123 -3.465 20.873 1.00 0.00 H ATOM 1488 HG13 VAL A 95 7.154 -3.614 19.387 1.00 0.00 H ATOM 1489 HG21 VAL A 95 5.885 -3.724 22.160 1.00 0.00 H ATOM 1490 HG22 VAL A 95 4.564 -2.590 21.786 1.00 0.00 H ATOM 1491 HG23 VAL A 95 5.057 -3.809 20.586 1.00 0.00 H ATOM 1492 H VAL A 95 8.115 -0.360 20.169 1.00 0.00 H ATOM 1493 N ILE A 96 8.990 -2.110 22.789 1.00 12.28 N ATOM 1494 CA ILE A 96 9.894 -2.666 23.773 1.00 10.93 C ATOM 1495 C ILE A 96 11.271 -2.122 23.402 1.00 13.59 C ATOM 1496 O ILE A 96 11.472 -1.813 22.223 1.00 14.77 O ATOM 1497 CB ILE A 96 9.869 -4.197 23.736 1.00 14.27 C ATOM 1498 CG1 ILE A 96 10.813 -4.937 24.701 1.00 22.34 C ATOM 1499 CG2 ILE A 96 10.185 -4.730 22.350 1.00 22.21 C ATOM 1500 CD1 ILE A 96 10.737 -6.436 24.419 1.00 20.20 C ATOM 1501 HA ILE A 96 9.614 -2.388 24.789 1.00 0.00 H ATOM 1502 HB ILE A 96 8.847 -4.402 24.056 1.00 0.00 H ATOM 1503 HG12 ILE A 96 11.835 -4.588 24.552 1.00 0.00 H ATOM 1504 HG13 ILE A 96 10.510 -4.743 25.730 1.00 0.00 H ATOM 1505 HD11 ILE A 96 9.714 -6.781 24.568 1.00 0.00 H ATOM 1506 HD12 ILE A 96 11.040 -6.627 23.389 1.00 0.00 H ATOM 1507 HD13 ILE A 96 11.403 -6.967 25.099 1.00 0.00 H ATOM 1508 HG21 ILE A 96 9.446 -4.357 21.641 1.00 0.00 H ATOM 1509 HG22 ILE A 96 11.178 -4.395 22.051 1.00 0.00 H ATOM 1510 HG23 ILE A 96 10.157 -5.820 22.366 1.00 0.00 H ATOM 1511 H ILE A 96 9.382 -1.912 21.846 1.00 0.00 H ATOM 1512 N PRO A 97 12.212 -1.937 24.312 1.00 13.50 N ATOM 1513 CA PRO A 97 13.540 -1.455 23.914 1.00 11.33 C ATOM 1514 C PRO A 97 14.313 -2.426 23.026 1.00 11.81 C ATOM 1515 O PRO A 97 14.141 -3.631 23.079 1.00 13.25 O ATOM 1516 CB PRO A 97 14.260 -1.280 25.252 1.00 11.40 C ATOM 1517 CG PRO A 97 13.120 -1.066 26.222 1.00 12.09 C ATOM 1518 CD PRO A 97 12.095 -2.094 25.778 1.00 14.37 C ATOM 1519 HA PRO A 97 13.463 -0.549 23.313 1.00 0.00 H ATOM 1520 HD3 PRO A 97 12.361 -3.100 26.102 1.00 0.00 H ATOM 1521 HD2 PRO A 97 11.094 -1.851 26.135 1.00 0.00 H ATOM 1522 HG3 PRO A 97 12.721 -0.055 26.141 1.00 0.00 H ATOM 1523 HG2 PRO A 97 13.439 -1.249 27.248 1.00 0.00 H ATOM 1524 HB2 PRO A 97 14.833 -2.171 25.509 1.00 0.00 H ATOM 1525 HB3 PRO A 97 14.925 -0.416 25.230 1.00 0.00 H ATOM 1526 N LEU A 98 15.202 -1.866 22.212 1.00 13.30 N ATOM 1527 CA LEU A 98 16.136 -2.668 21.421 1.00 12.60 C ATOM 1528 C LEU A 98 17.130 -3.372 22.335 1.00 16.60 C ATOM 1529 O LEU A 98 17.889 -2.709 23.033 1.00 20.54 O ATOM 1530 CB LEU A 98 16.887 -1.742 20.469 1.00 15.89 C ATOM 1531 CG LEU A 98 16.027 -0.883 19.550 1.00 16.08 C ATOM 1532 CD1 LEU A 98 16.921 -0.061 18.638 1.00 22.47 C ATOM 1533 CD2 LEU A 98 15.078 -1.783 18.758 1.00 12.14 C ATOM 1534 HA LEU A 98 15.585 -3.422 20.859 1.00 0.00 H ATOM 1535 HB2 LEU A 98 17.502 -1.073 21.071 1.00 0.00 H ATOM 1536 HB3 LEU A 98 17.530 -2.359 19.842 1.00 0.00 H ATOM 1537 HG LEU A 98 15.423 -0.189 20.135 1.00 0.00 H ATOM 1538 HD21 LEU A 98 15.659 -2.487 18.162 1.00 0.00 H ATOM 1539 HD22 LEU A 98 14.438 -2.332 19.449 1.00 0.00 H ATOM 1540 HD23 LEU A 98 14.462 -1.170 18.100 1.00 0.00 H ATOM 1541 HD11 LEU A 98 17.561 0.582 19.242 1.00 0.00 H ATOM 1542 HD12 LEU A 98 17.538 -0.729 18.038 1.00 0.00 H ATOM 1543 HD13 LEU A 98 16.303 0.552 17.982 1.00 0.00 H ATOM 1544 H LEU A 98 15.235 -0.829 22.135 1.00 0.00 H ATOM 1545 N GLN A 99 17.154 -4.692 22.357 1.00 19.65 N ATOM 1546 CA GLN A 99 17.897 -5.375 23.414 1.00 25.74 C ATOM 1547 C GLN A 99 18.954 -6.360 22.954 1.00 24.26 C ATOM 1548 O GLN A 99 20.036 -6.413 23.559 1.00 23.17 O ATOM 1549 CB GLN A 99 16.878 -6.136 24.302 1.00 14.58 C ATOM 1550 CG GLN A 99 16.111 -5.097 25.120 1.00 23.45 C ATOM 1551 CD GLN A 99 15.080 -5.761 26.008 1.00 35.80 C ATOM 1552 OE1 GLN A 99 13.928 -5.815 25.585 1.00 36.98 O ATOM 1553 NE2 GLN A 99 15.534 -6.233 27.160 1.00 34.10 N ATOM 1554 HA GLN A 99 18.442 -4.592 23.942 1.00 0.00 H ATOM 1555 HB2 GLN A 99 16.187 -6.700 23.675 1.00 0.00 H ATOM 1556 HB3 GLN A 99 17.403 -6.820 24.968 1.00 0.00 H ATOM 1557 HG2 GLN A 99 16.814 -4.542 25.742 1.00 0.00 H ATOM 1558 HG3 GLN A 99 15.607 -4.409 24.441 1.00 0.00 H ATOM 1559 HE22 GLN A 99 16.539 -6.125 27.407 1.00 0.00 H ATOM 1560 HE21 GLN A 99 14.886 -6.712 27.817 1.00 0.00 H ATOM 1561 H GLN A 99 16.650 -5.239 21.630 1.00 0.00 H ATOM 1562 N TYR A 100 18.620 -7.133 21.933 1.00 15.10 N ATOM 1563 CA TYR A 100 19.537 -8.149 21.422 1.00 20.11 C ATOM 1564 C TYR A 100 19.807 -7.923 19.935 1.00 23.98 C ATOM 1565 O TYR A 100 18.928 -8.282 19.152 1.00 17.43 O ATOM 1566 CB TYR A 100 18.946 -9.545 21.649 1.00 15.88 C ATOM 1567 CG TYR A 100 18.517 -9.694 23.097 1.00 20.54 C ATOM 1568 CD1 TYR A 100 17.193 -9.579 23.474 1.00 28.84 C ATOM 1569 CD2 TYR A 100 19.467 -9.939 24.092 1.00 25.41 C ATOM 1570 CE1 TYR A 100 16.781 -9.707 24.792 1.00 32.34 C ATOM 1571 CE2 TYR A 100 19.073 -10.065 25.413 1.00 27.99 C ATOM 1572 CZ TYR A 100 17.737 -9.951 25.760 1.00 37.04 C ATOM 1573 OH TYR A 100 17.324 -10.074 27.076 1.00 27.74 O ATOM 1574 HA TYR A 100 20.482 -8.073 21.959 1.00 0.00 H ATOM 1575 HB3 TYR A 100 19.698 -10.299 21.415 1.00 0.00 H ATOM 1576 HB2 TYR A 100 18.081 -9.682 20.999 1.00 0.00 H ATOM 1577 HD2 TYR A 100 20.520 -10.031 23.827 1.00 0.00 H ATOM 1578 HE2 TYR A 100 19.819 -10.255 26.185 1.00 0.00 H ATOM 1579 HE1 TYR A 100 15.728 -9.617 25.058 1.00 0.00 H ATOM 1580 HD1 TYR A 100 16.444 -9.380 22.707 1.00 0.00 H ATOM 1581 HH TYR A 100 16.341 -9.963 27.124 1.00 0.00 H ATOM 1582 H TYR A 100 17.688 -7.015 21.487 1.00 0.00 H ATOM 1583 N PRO A 101 20.960 -7.359 19.583 1.00 20.66 N ATOM 1584 CA PRO A 101 21.249 -7.066 18.178 1.00 16.24 C ATOM 1585 C PRO A 101 21.385 -8.383 17.416 1.00 19.16 C ATOM 1586 O PRO A 101 22.038 -9.303 17.911 1.00 21.37 O ATOM 1587 CB PRO A 101 22.578 -6.325 18.203 1.00 19.80 C ATOM 1588 CG PRO A 101 23.008 -6.207 19.614 1.00 19.74 C ATOM 1589 CD PRO A 101 22.074 -6.987 20.479 1.00 14.74 C ATOM 1590 HA PRO A 101 20.469 -6.480 17.692 1.00 0.00 H ATOM 1591 HD3 PRO A 101 22.566 -7.877 20.872 1.00 0.00 H ATOM 1592 HD2 PRO A 101 21.715 -6.376 21.307 1.00 0.00 H ATOM 1593 HG3 PRO A 101 22.993 -5.159 19.913 1.00 0.00 H ATOM 1594 HG2 PRO A 101 24.019 -6.600 19.721 1.00 0.00 H ATOM 1595 HB2 PRO A 101 23.323 -6.881 17.634 1.00 0.00 H ATOM 1596 HB3 PRO A 101 22.457 -5.333 17.768 1.00 0.00 H ATOM 1597 N VAL A 102 20.758 -8.463 16.248 1.00 13.99 N ATOM 1598 CA VAL A 102 20.905 -9.617 15.350 1.00 14.83 C ATOM 1599 C VAL A 102 21.853 -9.119 14.271 1.00 22.78 C ATOM 1600 O VAL A 102 21.436 -8.306 13.451 1.00 15.38 O ATOM 1601 CB VAL A 102 19.561 -10.095 14.798 1.00 23.29 C ATOM 1602 CG1 VAL A 102 19.715 -11.138 13.699 1.00 13.21 C ATOM 1603 CG2 VAL A 102 18.717 -10.654 15.958 1.00 20.22 C ATOM 1604 HA VAL A 102 21.296 -10.499 15.857 1.00 0.00 H ATOM 1605 HB VAL A 102 19.060 -9.241 14.342 1.00 0.00 H ATOM 1606 HG11 VAL A 102 20.284 -10.712 12.873 1.00 0.00 H ATOM 1607 HG12 VAL A 102 20.242 -12.006 14.095 1.00 0.00 H ATOM 1608 HG13 VAL A 102 18.729 -11.440 13.346 1.00 0.00 H ATOM 1609 HG21 VAL A 102 19.244 -11.488 16.420 1.00 0.00 H ATOM 1610 HG22 VAL A 102 18.555 -9.870 16.698 1.00 0.00 H ATOM 1611 HG23 VAL A 102 17.756 -10.997 15.574 1.00 0.00 H ATOM 1612 H VAL A 102 20.139 -7.679 15.958 1.00 0.00 H ATOM 1613 N GLU A 103 23.114 -9.544 14.353 1.00 15.23 N ATOM 1614 CA GLU A 103 24.149 -8.898 13.568 1.00 14.07 C ATOM 1615 C GLU A 103 24.502 -9.696 12.317 1.00 15.51 C ATOM 1616 O GLU A 103 24.238 -10.899 12.295 1.00 24.26 O ATOM 1617 CB GLU A 103 25.424 -8.714 14.417 1.00 22.69 C ATOM 1618 CG GLU A 103 25.130 -7.869 15.654 1.00 25.65 C ATOM 1619 CD GLU A 103 26.352 -7.688 16.530 1.00 33.33 C ATOM 1620 OE1 GLU A 103 26.542 -6.563 17.053 1.00 23.18 O ATOM 1621 OE2 GLU A 103 27.094 -8.686 16.672 1.00 27.64 O ATOM 1622 HA GLU A 103 23.756 -7.929 13.259 1.00 0.00 H ATOM 1623 HB2 GLU A 103 25.790 -9.692 14.730 1.00 0.00 H ATOM 1624 HB3 GLU A 103 26.186 -8.217 13.816 1.00 0.00 H ATOM 1625 HG2 GLU A 103 24.780 -6.888 15.334 1.00 0.00 H ATOM 1626 HG3 GLU A 103 24.350 -8.359 16.237 1.00 0.00 H ATOM 1627 H GLU A 103 23.356 -10.338 14.979 1.00 0.00 H ATOM 1628 N LYS A 104 25.065 -8.993 11.350 1.00 18.58 N ATOM 1629 CA LYS A 104 25.577 -9.641 10.134 1.00 22.88 C ATOM 1630 C LYS A 104 26.565 -10.735 10.550 1.00 26.21 C ATOM 1631 O LYS A 104 27.399 -10.399 11.419 1.00 21.27 O ATOM 1632 CB LYS A 104 26.299 -8.684 9.205 1.00 24.08 C ATOM 1633 CG LYS A 104 25.484 -7.534 8.645 1.00 30.73 C ATOM 1634 CD LYS A 104 26.307 -6.677 7.690 1.00 26.98 C ATOM 1635 CE LYS A 104 26.847 -5.441 8.397 1.00 34.38 C ATOM 1636 NZ LYS A 104 26.319 -4.172 7.822 1.00 28.97 N ATOM 1637 HA LYS A 104 24.718 -10.038 9.593 1.00 0.00 H ATOM 1638 OXT LYS A 104 26.441 -11.842 10.008 1.00 32.40 O ATOM 1639 HB2 LYS A 104 27.137 -8.258 9.756 1.00 0.00 H ATOM 1640 HB3 LYS A 104 26.677 -9.263 8.362 1.00 0.00 H ATOM 1641 HG2 LYS A 104 24.625 -7.937 8.109 1.00 0.00 H ATOM 1642 HG3 LYS A 104 25.137 -6.912 9.470 1.00 0.00 H ATOM 1643 HD2 LYS A 104 27.143 -7.266 7.312 1.00 0.00 H ATOM 1644 HD3 LYS A 104 25.677 -6.365 6.857 1.00 0.00 H ATOM 1645 HE2 LYS A 104 27.934 -5.437 8.312 1.00 0.00 H ATOM 1646 HE3 LYS A 104 26.567 -5.491 9.449 1.00 0.00 H ATOM 1647 HZ1 LYS A 104 26.588 -4.109 6.819 1.00 0.00 H ATOM 1648 HZ2 LYS A 104 25.282 -4.160 7.906 1.00 0.00 H ATOM 1649 HZ3 LYS A 104 26.719 -3.365 8.341 1.00 0.00 H ATOM 1650 H LYS A 104 25.147 -7.961 11.451 1.00 0.00 H TER 1651 LYS A 104 HETATM 1652 O HOH 1 5.663 2.485 18.912 1.00 13.15 O HETATM 1653 O HOH 2 11.410 10.651 17.039 1.00 17.69 O HETATM 1654 O HOH 3 11.587 -7.554 8.640 1.00 15.25 O HETATM 1655 O HOH 4 13.788 9.530 15.850 1.00 13.69 O HETATM 1656 O HOH 5 11.785 10.465 9.698 1.00 21.34 O HETATM 1657 O HOH 6 29.146 -5.523 17.290 1.00 30.26 O HETATM 1658 O HOH 7 16.641 1.634 1.450 1.00 17.94 O HETATM 1659 O HOH 8 13.470 2.119 23.613 1.00 13.76 O HETATM 1660 O HOH 9 7.357 3.217 10.694 1.00 14.42 O HETATM 1661 O HOH 10 10.905 2.461 24.121 1.00 13.51 O HETATM 1662 O HOH 11 22.970 13.282 17.720 1.00 25.32 O HETATM 1663 O HOH 12 16.022 -11.668 1.510 1.00 21.91 O HETATM 1664 O HOH 13 14.598 0.848 -0.028 1.00 23.97 O HETATM 1665 O HOH 14 9.398 -9.637 1.918 1.00 18.93 O HETATM 1666 O HOH 15 11.440 7.866 8.879 1.00 22.36 O HETATM 1667 O HOH 16 25.432 7.793 10.576 1.00 25.12 O HETATM 1668 O HOH 17 14.065 -4.989 2.339 1.00 18.62 O HETATM 1669 O HOH 18 16.858 10.466 22.915 1.00 23.46 O HETATM 1670 O HOH 19 17.649 -4.876 3.372 1.00 13.92 O HETATM 1671 O HOH 20 4.528 -15.120 15.295 1.00 21.26 O HETATM 1672 O HOH 21 25.499 -4.317 17.247 1.00 27.08 O HETATM 1673 O HOH 22 10.927 9.232 26.609 1.00 24.38 O HETATM 1674 O HOH 23 23.939 -11.667 16.132 1.00 28.06 O HETATM 1675 O HOH 24 12.302 -17.895 11.757 1.00 26.61 O HETATM 1676 O HOH 25 -0.126 -14.460 14.435 1.00 28.19 O HETATM 1677 O HOH 26 24.816 -2.441 14.940 1.00 25.48 O HETATM 1678 O HOH 27 7.473 11.226 11.538 1.00 22.80 O HETATM 1679 O HOH 28 16.023 10.019 25.458 1.00 32.21 O HETATM 1680 O HOH 29 8.031 -13.258 20.428 1.00 21.34 O HETATM 1681 O HOH 30 26.586 5.561 13.201 1.00 22.19 O HETATM 1682 O HOH 31 8.925 -11.149 26.982 1.00 32.60 O HETATM 1683 O HOH 32 21.825 3.301 25.155 1.00 35.60 O HETATM 1684 O HOH 33 16.829 7.730 4.170 1.00 29.94 O HETATM 1685 O HOH 34 7.793 4.335 25.849 1.00 20.49 O HETATM 1686 O HOH 35 17.094 -0.647 -1.318 1.00 29.03 O HETATM 1687 O HOH 36 11.333 -13.620 24.521 1.00 29.16 O HETATM 1688 O HOH 37 30.514 -3.258 12.993 1.00 37.49 O HETATM 1689 O HOH 38 7.913 1.767 25.564 1.00 21.28 O HETATM 1690 O HOH 39 16.419 -1.204 28.044 1.00 23.32 O HETATM 1691 O HOH 40 1.227 -12.330 20.129 1.00 27.05 O HETATM 1692 O HOH 41 18.437 -15.302 13.448 1.00 26.04 O HETATM 1693 O HOH 42 18.675 -17.187 15.992 1.00 34.69 O HETATM 1694 O HOH 43 5.491 14.125 15.185 1.00 30.23 O HETATM 1695 O HOH 44 6.676 13.585 12.704 1.00 36.07 O HETATM 1696 O HOH 45 1.012 -6.850 25.294 1.00 27.72 O HETATM 1697 O HOH 46 16.510 16.419 17.620 1.00 36.66 O HETATM 1698 O HOH 47 7.218 -9.599 27.363 1.00 32.06 O HETATM 1699 O HOH 48 9.994 -16.930 17.721 1.00 34.10 O HETATM 1700 O HOH 49 26.173 6.732 8.512 1.00 37.24 O HETATM 1701 O HOH 50 26.196 -4.253 5.261 1.00 27.75 O HETATM 1702 O HOH 51 6.593 -9.681 3.340 1.00 37.08 O HETATM 1703 O HOH 52 18.342 -13.061 1.779 1.00 37.64 O HETATM 1704 O HOH 53 11.409 7.318 -1.716 1.00 39.19 O HETATM 1705 O HOH 54 23.235 -2.749 17.792 1.00 25.59 O HETATM 1706 O HOH 55 22.482 -7.736 24.264 1.00 41.98 O HETATM 1707 O HOH 56 6.891 15.365 22.328 1.00 26.67 O HETATM 1708 O HOH 57 18.199 -17.556 11.748 1.00 32.21 O HETATM 1709 O HOH 58 25.564 14.717 19.312 1.00 48.57 O HETATM 1710 O HOH 59 22.162 -12.073 11.061 1.00 32.27 O HETATM 1711 O HOH 60 22.586 -2.639 0.785 1.00 42.94 O HETATM 1712 O HOH 61 8.695 17.257 15.799 1.00 29.42 O HETATM 1713 O HOH 62 24.187 -9.980 19.749 1.00 34.74 O HETATM 1714 O HOH 63 18.533 10.650 2.053 1.00 47.66 O HETATM 1715 O HOH 64 18.946 -12.374 19.970 1.00 28.29 O HETATM 1716 O HOH 65 26.410 -11.423 17.331 1.00 32.37 O HETATM 1717 O HOH 66 12.130 -12.787 0.603 1.00 33.83 O HETATM 1718 O HOH 67 23.302 -8.774 26.079 1.00 35.65 O HETATM 1719 O HOH 68 26.995 -14.445 10.810 1.00 39.67 O HETATM 1720 O HOH 69 4.323 -9.026 6.848 1.00 37.09 O HETATM 1721 O HOH 70 26.328 6.178 19.856 1.00 56.90 O HETATM 1722 O HOH 71 24.938 14.586 10.254 1.00 33.41 O HETATM 1723 O HOH 72 18.388 -2.596 25.967 1.00 37.80 O HETATM 1724 O HOH 73 24.726 1.327 22.497 1.00 33.03 O HETATM 1725 O HOH 74 25.681 10.378 10.045 1.00 26.53 O HETATM 1726 O HOH 75 16.356 -17.535 9.783 1.00 39.22 O HETATM 1727 O HOH 76 15.397 11.912 9.210 1.00 34.97 O HETATM 1728 O HOH 77 24.182 -6.136 23.104 1.00 36.17 O HETATM 1729 O HOH 78 6.199 -10.661 5.381 1.00 27.28 O HETATM 1730 O HOH 79 22.044 8.397 21.485 1.00 34.98 O HETATM 1731 O HOH 80 27.355 -6.690 19.800 1.00 51.39 O HETATM 1732 O HOH 81 6.337 6.072 5.700 1.00 33.14 O HETATM 1733 O HOH 82 17.067 5.316 30.605 1.00 32.72 O HETATM 1734 O HOH 83 22.782 15.195 3.944 1.00 51.57 O HETATM 1735 O HOH 84 17.605 -17.028 21.210 1.00 50.58 O HETATM 1736 O HOH 85 25.110 8.761 8.519 1.00 34.90 O HETATM 1737 O HOH 86 5.219 -17.208 13.286 1.00 31.62 O HETATM 1738 O HOH 87 8.658 6.553 4.976 1.00 26.16 O HETATM 1739 O HOH 88 3.300 11.471 12.009 1.00 43.82 O HETATM 1740 O HOH 89 22.617 1.795 2.322 1.00 31.35 O HETATM 1741 O HOH 90 20.736 -0.004 0.177 1.00 32.81 O HETATM 1742 O HOH 91 18.317 -0.750 29.994 1.00 30.10 O HETATM 1743 O HOH 92 7.781 -15.410 19.345 1.00 41.93 O HETATM 1744 O HOH 93 0.642 -12.328 22.884 1.00 43.39 O HETATM 1745 O HOH 94 19.047 -9.587 -1.896 1.00 37.45 O HETATM 1746 O HOH 95 2.196 -14.865 15.916 1.00 36.07 O HETATM 1747 O HOH 96 12.371 14.893 8.456 1.00 37.47 O HETATM 1748 O HOH 97 21.920 19.158 1.042 1.00 67.94 O HETATM 1749 O HOH 98 19.473 2.225 0.564 1.00 42.41 O HETATM 1750 O HOH 99 27.002 -4.844 21.106 1.00 44.22 O HETATM 1751 O HOH 100 9.209 7.360 7.054 1.00 48.36 O HETATM 1752 O HOH 101 28.002 -1.779 14.669 1.00 32.19 O HETATM 1753 O HOH 102 2.252 -14.870 18.211 1.00 51.86 O HETATM 1754 O HOH 103 5.323 5.369 24.849 1.00 40.47 O HETATM 1755 O HOH 104 19.442 1.105 29.235 1.00 45.33 O HETATM 1756 O HOH 105 12.468 17.999 16.062 1.00 35.62 O HETATM 1757 O HOH 106 16.538 -3.462 28.438 1.00 42.37 O HETATM 1758 O HOH 107 5.658 -16.582 17.230 1.00 44.42 O HETATM 1759 O HOH 108 20.848 -12.390 22.057 1.00 40.74 O HETATM 1760 O HOH 109 1.214 -10.120 23.373 1.00 42.37 O HETATM 1761 O HOH 110 1.783 -5.783 6.289 1.00 43.15 O HETATM 1762 O HOH 111 13.901 13.296 7.224 1.00 41.22 O HETATM 1763 O HOH 112 3.683 -1.232 1.623 1.00 48.07 O HETATM 1764 O HOH 113 25.657 -7.649 27.614 1.00 38.35 O HETATM 1765 O HOH 114 14.661 18.867 16.406 1.00 54.17 O HETATM 1766 O HOH 115 20.835 -11.936 18.736 1.00 36.91 O HETATM 1767 O HOH 116 20.062 -2.671 29.328 1.00 36.02 O HETATM 1768 O HOH 117 15.064 -11.036 -0.934 1.00 39.14 O HETATM 1769 O HOH 118 12.053 9.600 4.389 1.00 67.32 O HETATM 1770 O HOH 119 28.770 1.317 3.497 1.00 44.32 O HETATM 1771 O HOH 120 7.783 -14.419 8.073 1.00 42.75 O HETATM 1772 O HOH 121 21.383 -14.261 12.664 1.00 40.57 O HETATM 1773 O HOH 122 25.345 7.151 2.063 1.00124.01 O HETATM 1774 O HOH 123 4.684 10.158 8.858 1.00 52.86 O HETATM 1775 O HOH 124 10.156 17.735 13.107 1.00 67.37 O HETATM 1776 O HOH 125 11.270 -7.735 -0.606 1.00 55.36 O HETATM 1777 O HOH 126 0.941 11.008 19.161 1.00 35.56 O HETATM 1778 O HOH 127 21.582 6.003 3.495 1.00 41.09 O HETATM 1779 O HOH 128 9.341 15.182 9.828 1.00 34.64 O HETATM 1780 O HOH 129 26.930 13.418 17.998 1.00 46.07 O HETATM 1781 O HOH 130 25.213 3.778 2.144 1.00 54.34 O HETATM 1782 O HOH 131 3.807 6.588 6.309 1.00 51.64 O HETATM 1783 O HOH 132 23.036 -9.986 23.596 1.00 88.50 O HETATM 1784 O HOH 133 16.135 -20.467 19.737 1.00 78.28 O HETATM 1785 O HOH 134 8.820 -18.470 10.186 1.00 69.46 O HETATM 1786 O HOH 135 22.209 18.020 10.412 1.00 43.73 O HETATM 1787 O HOH 136 24.880 6.509 5.977 1.00 43.63 O HETATM 1788 O HOH 137 29.238 -3.972 10.435 1.00 51.66 O HETATM 1789 O HOH 138 20.978 -17.018 10.112 1.00 39.18 O HETATM 1790 O HOH 139 28.712 11.253 19.610 1.00 41.00 O HETATM 1791 O HOH 140 14.977 -10.677 28.217 1.00 49.29 O HETATM 1792 O HOH 141 25.806 9.006 5.765 1.00 59.91 O HETATM 1793 O HOH 142 11.215 -11.423 26.882 1.00 47.08 O HETATM 1794 O HOH 143 22.432 -11.070 26.949 1.00 65.57 O HETATM 1795 O HOH 144 25.100 -12.085 7.422 1.00 42.51 O HETATM 1796 O HOH 145 26.488 5.142 6.881 1.00120.85 O HETATM 1797 O HOH 146 4.953 -12.662 4.731 1.00 50.20 O HETATM 1798 O HOH 147 19.295 -15.865 20.175 1.00 69.40 O HETATM 1799 O HOH 148 4.418 4.080 8.506 1.00 40.55 O HETATM 1800 O HOH 149 27.218 6.474 11.145 1.00 45.18 O HETATM 1801 O HOH 150 21.453 15.594 16.477 1.00 49.90 O HETATM 1802 O HOH 151 28.839 -3.576 19.339 1.00 49.47 O HETATM 1803 O HOH 152 9.425 9.004 3.227 1.00 37.71 O HETATM 1804 O HOH 153 27.749 6.577 3.647 1.00 67.49 O HETATM 1805 O HOH 154 22.246 11.173 21.187 1.00 55.63 O HETATM 1806 O HOH 155 19.297 -14.789 3.611 1.00 52.34 O HETATM 1807 O HOH 156 15.420 9.407 2.900 1.00 72.14 O HETATM 1808 O HOH 157 16.257 -22.781 17.463 1.00 48.22 O HETATM 1809 O HOH 158 21.000 16.342 13.682 1.00 44.98 O HETATM 1810 O HOH 159 17.518 -16.450 6.562 1.00 84.92 O HETATM 1811 O HOH 160 8.184 8.823 0.832 1.00 62.36 O HETATM 1812 O HOH 161 25.513 -0.595 2.319 1.00 38.50 O HETATM 1813 O HOH 162 17.426 13.043 20.353 1.00 70.21 O HETATM 1814 O HOH 163 28.221 9.692 10.216 1.00 44.64 O HETATM 1815 O HOH 164 28.549 2.553 7.689 1.00 59.46 O HETATM 1816 O HOH 165 7.889 -13.992 24.346 1.00 69.50 O HETATM 1817 O HOH 166 8.366 10.449 6.680 1.00 54.99 O HETATM 1818 O HOH 167 21.488 0.843 27.381 1.00 57.87 O HETATM 1819 O HOH 168 27.219 -10.060 -1.005 1.00 47.86 O HETATM 1820 O HOH 169 5.767 8.564 2.949 1.00 60.92 O HETATM 1821 O HOH 170 18.749 6.577 1.103 1.00 44.68 O HETATM 1822 O HOH 171 28.220 1.533 13.837 1.00 63.40 O HETATM 1823 O HOH 172 6.569 -15.098 22.694 1.00 53.52 O HETATM 1824 O HOH 173 23.972 17.689 15.641 1.00 52.27 O HETATM 1825 O HOH 174 4.155 -14.843 21.328 1.00 57.53 O HETATM 1826 O HOH 175 18.711 9.119 28.420 1.00 64.14 O HETATM 1827 O HOH 176 20.477 12.639 0.539 1.00 68.09 O HETATM 1828 O HOH 177 25.545 0.024 15.404 1.00 64.15 O HETATM 1829 O HOH 178 22.590 -17.333 12.601 1.00 53.08 O HETATM 1830 O HOH 179 19.995 -6.071 26.772 1.00 67.17 O HETATM 1831 O HOH 180 24.357 19.261 3.153 1.00 51.87 O HETATM 1832 O HOH 181 24.465 1.083 18.271 1.00 48.10 O HETATM 1833 O HOH 182 14.826 12.778 5.185 1.00 58.55 O HETATM 1834 O HOH 183 3.647 16.037 14.395 1.00 57.96 O HETATM 1835 O HOH 184 24.895 -15.542 10.501 1.00 75.96 O HETATM 1836 O HOH 185 30.071 0.661 16.513 1.00 52.89 O HETATM 1837 O HOH 186 2.190 18.638 18.281 1.00 57.37 O HETATM 1838 O HOH 187 30.997 3.026 18.735 1.00 71.70 O HETATM 1839 O HOH 188 14.349 11.578 1.071 1.00144.81 O HETATM 1840 O HOH 189 25.361 -13.814 13.179 1.00 54.45 O HETATM 1841 O HOH 190 5.400 17.381 17.339 1.00 82.18 O HETATM 1842 O HOH 191 2.948 2.094 7.032 1.00 40.39 O HETATM 1843 O HOH 192 22.569 12.945 3.525 1.00 79.15 O HETATM 1844 O HOH 193 9.550 -5.912 9.350 1.00 16.61 O HETATM 1845 O HOH 194 10.528 11.395 19.560 1.00 18.14 O HETATM 1846 O HOH 195 2.229 3.785 12.567 1.00 27.81 O HETATM 1847 O HOH 196 7.233 8.805 29.401 1.00 23.87 O HETATM 1848 O HOH 197 0.007 -6.163 10.250 1.00 31.83 O HETATM 1849 O HOH 198 -2.147 -9.700 11.088 1.00 29.03 O HETATM 1850 O HOH 199 7.358 12.947 24.242 1.00 36.36 O HETATM 1851 O HOH 200 3.025 3.226 17.279 1.00 25.64 O HETATM 1852 O HOH 201 6.176 -4.426 3.327 1.00 41.17 O HETATM 1853 O HOH 202 2.136 -3.902 8.055 1.00 30.24 O HETATM 1854 O HOH 203 2.059 9.419 21.781 1.00 25.28 O HETATM 1855 O HOH 204 10.350 13.466 21.910 1.00 32.76 O HETATM 1856 O HOH 205 2.573 9.909 25.992 1.00 39.20 O HETATM 1857 O HOH 206 0.775 5.695 15.708 1.00 27.41 O HETATM 1858 O HOH 207 -1.875 -13.033 10.386 1.00 51.54 O HETATM 1859 O HOH 208 11.739 10.821 25.073 1.00 46.26 O HETATM 1860 O HOH 209 0.702 6.828 9.779 1.00 39.45 O HETATM 1861 O HOH 210 7.651 10.745 28.029 1.00 37.47 O HETATM 1862 O HOH 211 4.140 -11.284 7.824 1.00 43.08 O HETATM 1863 O HOH 212 12.871 12.816 25.066 1.00 85.32 O HETATM 1864 O HOH 213 4.061 -1.655 3.984 1.00 35.67 O HETATM 1865 O HOH 214 2.083 -13.372 7.542 1.00 60.32 O HETATM 1866 O HOH 215 1.555 4.595 10.458 1.00 36.27 O HETATM 1867 O HOH 216 8.765 14.609 26.435 1.00 67.66 O HETATM 1868 O HOH 217 3.322 11.397 23.933 1.00 55.52 O HETATM 1869 O HOH 218 -0.392 -13.753 8.136 1.00 87.55 O HETATM 1870 O HOH 219 15.277 13.923 24.357 1.00 57.81 O HETATM 1871 N SER A 220 -0.104 -11.054 8.352 1.00 0.24 N HETATM 1872 CA SER A 220 1.103 -10.220 8.325 1.00 0.09 C HETATM 1873 C SER A 220 1.693 -10.091 9.726 1.00 0.23 C HETATM 1874 O SER A 220 0.959 -9.665 10.630 1.00 -0.39 O HETATM 1875 N SER A 220 2.965 -10.457 9.862 1.00 -0.26 N HETATM 1876 CA SER A 220 3.682 -10.393 11.125 1.00 0.13 C HETATM 1877 C SER A 220 4.404 -9.064 11.303 1.00 0.20 C HETATM 1878 O SER A 220 4.776 -8.769 12.444 1.00 -0.39 O HETATM 1879 N SER A 220 4.586 -8.282 10.251 1.00 -0.26 N HETATM 1880 CA SER A 220 5.158 -6.940 10.382 1.00 0.16 C HETATM 1881 C SER A 220 4.096 -5.905 10.719 1.00 0.21 C HETATM 1882 O SER A 220 3.044 -5.809 10.059 1.00 -0.39 O HETATM 1883 N SER A 220 4.360 -5.101 11.755 1.00 -0.26 N HETATM 1884 CA SER A 220 3.503 -3.954 12.090 1.00 0.13 C HETATM 1885 C SER A 220 4.335 -2.675 12.019 1.00 0.20 C HETATM 1886 O SER A 220 5.337 -2.600 12.719 1.00 -0.39 O HETATM 1887 N SER A 220 3.987 -1.740 11.160 1.00 -0.26 N HETATM 1888 CA SER A 220 4.652 -0.449 11.065 1.00 0.15 C HETATM 1889 C SER A 220 4.187 0.547 12.131 1.00 0.21 C HETATM 1890 O SER A 220 3.117 1.151 12.029 1.00 -0.39 O HETATM 1891 N SER A 220 5.048 0.727 13.166 1.00 -0.26 N HETATM 1892 CA SER A 220 4.648 1.528 14.329 1.00 0.13 C HETATM 1893 C SER A 220 5.379 2.858 14.233 1.00 0.20 C HETATM 1894 O SER A 220 6.176 3.010 13.304 1.00 -0.39 O HETATM 1895 N SER A 220 5.137 3.786 15.117 1.00 -0.26 N HETATM 1896 CA SER A 220 5.693 5.128 15.151 1.00 0.13 C HETATM 1897 C SER A 220 6.203 5.416 16.558 1.00 0.20 C HETATM 1898 O SER A 220 5.617 4.912 17.523 1.00 -0.39 O HETATM 1899 N SER A 220 7.284 6.192 16.639 1.00 -0.26 N HETATM 1900 CA SER A 220 7.816 6.569 17.946 1.00 0.13 C HETATM 1901 C SER A 220 6.750 7.368 18.694 1.00 0.20 C HETATM 1902 O SER A 220 6.242 8.336 18.104 1.00 -0.39 O HETATM 1903 N SER A 220 6.401 7.007 19.926 1.00 -0.26 N HETATM 1904 CA SER A 220 5.247 7.612 20.601 1.00 0.13 C HETATM 1905 C SER A 220 5.611 8.669 21.636 1.00 0.20 C HETATM 1906 O SER A 220 4.669 9.255 22.203 1.00 -0.39 O HETATM 1907 N SER A 220 6.882 8.916 21.900 1.00 -0.27 N HETATM 1908 CA SER A 220 7.406 9.893 22.838 1.00 0.09 C HETATM 1909 C SER A 220 8.676 10.571 22.323 1.00 0.06 C HETATM 1910 O SER A 220 9.238 10.117 21.309 1.00 -0.57 O HETATM 1911 OXT SER A 220 9.103 11.560 22.964 1.00 -0.57 O HETATM 1912 CB SER A 220 7.760 9.294 24.205 1.00 -0.02 C HETATM 1913 CG SER A 220 6.714 8.373 24.803 1.00 -0.04 C HETATM 1914 CD SER A 220 6.922 8.154 26.305 1.00 -0.01 C HETATM 1915 CE SER A 220 5.655 7.546 26.892 1.00 -0.04 C HETATM 1916 NZ SER A 220 5.894 6.712 28.101 1.00 0.22 N HETATM 1917 H85 SER A 220 5.017 6.344 28.434 1.00 0.20 H HETATM 1918 H86 SER A 220 6.316 7.277 28.821 1.00 0.20 H HETATM 1919 H87 SER A 220 6.511 5.950 27.867 1.00 0.20 H HETATM 1920 H83 SER A 220 5.184 6.916 26.123 1.00 0.08 H HETATM 1921 H84 SER A 220 4.972 8.364 27.164 1.00 0.08 H HETATM 1922 H81 SER A 220 7.131 9.117 26.794 1.00 0.03 H HETATM 1923 H82 SER A 220 7.769 7.470 26.465 1.00 0.03 H HETATM 1924 H79 SER A 220 6.767 7.400 24.293 1.00 0.03 H HETATM 1925 H80 SER A 220 5.720 8.817 24.645 1.00 0.03 H HETATM 1926 H77 SER A 220 7.922 10.125 24.908 1.00 0.03 H HETATM 1927 H78 SER A 220 8.692 8.721 24.093 1.00 0.03 H HETATM 1928 H76 SER A 220 6.630 10.659 22.982 1.00 0.07 H HETATM 1929 H75 SER A 220 7.556 8.371 21.400 1.00 0.19 H HETATM 1930 CB SER A 220 4.422 6.531 21.313 1.00 0.00 C HETATM 1931 CG SER A 220 3.839 5.439 20.417 1.00 0.04 C HETATM 1932 CD SER A 220 2.656 5.939 19.610 1.00 0.17 C HETATM 1933 OE1 SER A 220 1.916 6.777 20.128 1.00 -0.40 O HETATM 1934 NE2 SER A 220 2.466 5.462 18.386 1.00 -0.30 N HETATM 1935 H73 SER A 220 1.691 5.780 17.840 1.00 0.18 H HETATM 1936 H74 SER A 220 3.098 4.784 18.010 1.00 0.18 H HETATM 1937 H71 SER A 220 3.510 4.600 21.048 1.00 0.05 H HETATM 1938 H72 SER A 220 4.620 5.093 19.725 1.00 0.05 H HETATM 1939 H69 SER A 220 3.586 7.028 21.826 1.00 0.03 H HETATM 1940 H70 SER A 220 5.072 6.046 22.056 1.00 0.03 H HETATM 1941 H68 SER A 220 4.623 8.088 19.831 1.00 0.08 H HETATM 1942 H67 SER A 220 6.936 6.309 20.402 1.00 0.19 H HETATM 1943 CB SER A 220 9.118 7.389 17.816 1.00 -0.01 C HETATM 1944 CG1 SER A 220 9.610 7.834 19.177 1.00 -0.06 C HETATM 1945 H61 SER A 220 10.537 8.415 19.060 1.00 0.02 H HETATM 1946 H62 SER A 220 9.808 6.951 19.802 1.00 0.02 H HETATM 1947 H63 SER A 220 8.843 8.459 19.658 1.00 0.02 H HETATM 1948 CG2 SER A 220 10.200 6.595 17.089 1.00 -0.06 C HETATM 1949 H64 SER A 220 9.825 6.281 16.104 1.00 0.02 H HETATM 1950 H65 SER A 220 10.463 5.706 17.681 1.00 0.02 H HETATM 1951 H66 SER A 220 11.092 7.226 16.958 1.00 0.02 H HETATM 1952 H60 SER A 220 8.896 8.287 17.221 1.00 0.03 H HETATM 1953 H59 SER A 220 8.039 5.654 18.514 1.00 0.08 H HETATM 1954 H58 SER A 220 7.731 6.516 15.805 1.00 0.19 H HETATM 1955 CB SER A 220 4.619 6.146 14.754 1.00 0.00 C HETATM 1956 CG SER A 220 4.110 5.951 13.330 1.00 0.04 C HETATM 1957 CD SER A 220 3.133 7.062 12.970 1.00 0.17 C HETATM 1958 OE1 SER A 220 2.235 7.358 13.761 1.00 -0.40 O HETATM 1959 NE2 SER A 220 3.320 7.633 11.796 1.00 -0.30 N HETATM 1960 H56 SER A 220 2.714 8.370 11.496 1.00 0.18 H HETATM 1961 H57 SER A 220 4.068 7.329 11.206 1.00 0.18 H HETATM 1962 H54 SER A 220 3.600 4.979 13.255 1.00 0.05 H HETATM 1963 H55 SER A 220 4.960 5.974 12.633 1.00 0.05 H HETATM 1964 H52 SER A 220 5.046 7.156 14.838 1.00 0.03 H HETATM 1965 H53 SER A 220 3.770 6.048 15.446 1.00 0.03 H HETATM 1966 H51 SER A 220 6.531 5.194 14.441 1.00 0.08 H HETATM 1967 H50 SER A 220 4.500 3.548 15.850 1.00 0.19 H HETATM 1968 CB SER A 220 4.959 0.761 15.596 1.00 -0.02 C HETATM 1969 H47 SER A 220 4.660 1.359 16.469 1.00 0.03 H HETATM 1970 H48 SER A 220 6.038 0.555 15.645 1.00 0.03 H HETATM 1971 H49 SER A 220 4.404 -0.189 15.595 1.00 0.03 H HETATM 1972 H46 SER A 220 3.565 1.716 14.294 1.00 0.08 H HETATM 1973 H45 SER A 220 5.957 0.312 13.136 1.00 0.19 H HETATM 1974 CB SER A 220 4.482 0.131 9.666 1.00 0.04 C HETATM 1975 CG SER A 220 5.466 -0.463 8.677 1.00 -0.00 C HETATM 1976 CD1 SER A 220 5.099 -1.554 7.913 1.00 -0.02 C HETATM 1977 CE1 SER A 220 5.988 -2.215 7.072 1.00 0.01 C HETATM 1978 CZ SER A 220 7.295 -1.743 7.012 1.00 0.17 C HETATM 1979 CE2 SER A 220 7.681 -0.644 7.764 1.00 0.01 C HETATM 1980 CD2 SER A 220 6.783 0.014 8.603 1.00 -0.02 C HETATM 1981 H42 SER A 220 7.095 0.874 9.184 1.00 0.07 H HETATM 1982 H44 SER A 220 8.703 -0.289 7.698 1.00 0.07 H HETATM 1983 OH SER A 220 8.258 -2.417 6.165 1.00 -0.20 O HETATM 1984 P SER A 220 8.544 -1.886 4.656 1.00 0.13 P HETATM 1985 O1P SER A 220 7.272 -2.229 3.948 1.00 -0.67 O HETATM 1986 O2P SER A 220 9.670 -2.721 4.167 1.00 -0.67 O HETATM 1987 O3P SER A 220 8.783 -0.450 4.648 1.00 -0.67 O HETATM 1988 H43 SER A 220 5.673 -3.069 6.483 1.00 0.07 H HETATM 1989 H41 SER A 220 4.077 -1.909 7.971 1.00 0.07 H HETATM 1990 H39 SER A 220 4.639 1.219 9.712 1.00 0.06 H HETATM 1991 H40 SER A 220 3.460 -0.078 9.318 1.00 0.06 H HETATM 1992 H38 SER A 220 5.726 -0.621 11.228 1.00 0.08 H HETATM 1993 H37 SER A 220 3.225 -1.927 10.540 1.00 0.19 H HETATM 1994 CB SER A 220 2.822 -4.128 13.455 1.00 -0.00 C HETATM 1995 CG1 SER A 220 1.686 -5.174 13.423 1.00 -0.05 C HETATM 1996 CD1 SER A 220 1.304 -5.647 14.809 1.00 -0.06 C HETATM 1997 H34 SER A 220 0.494 -6.388 14.733 1.00 0.02 H HETATM 1998 H35 SER A 220 0.962 -4.790 15.408 1.00 0.02 H HETATM 1999 H36 SER A 220 2.178 -6.107 15.293 1.00 0.02 H HETATM 2000 H29 SER A 220 2.019 -6.040 12.832 1.00 0.03 H HETATM 2001 H30 SER A 220 0.803 -4.723 12.947 1.00 0.03 H HETATM 2002 CG2 SER A 220 2.254 -2.830 14.012 1.00 -0.06 C HETATM 2003 H31 SER A 220 3.046 -2.067 14.045 1.00 0.02 H HETATM 2004 H32 SER A 220 1.870 -3.004 15.028 1.00 0.02 H HETATM 2005 H33 SER A 220 1.435 -2.481 13.366 1.00 0.02 H HETATM 2006 H28 SER A 220 3.592 -4.486 14.154 1.00 0.03 H HETATM 2007 H27 SER A 220 2.709 -3.887 11.331 1.00 0.08 H HETATM 2008 H26 SER A 220 5.165 -5.286 12.319 1.00 0.19 H HETATM 2009 CB SER A 220 5.893 -6.571 9.073 1.00 0.09 C HETATM 2010 OG1 SER A 220 7.174 -7.229 9.039 1.00 -0.39 O HETATM 2011 H22 SER A 220 7.047 -8.170 9.077 1.00 0.21 H HETATM 2012 CG2 SER A 220 6.176 -5.070 8.970 1.00 -0.03 C HETATM 2013 H23 SER A 220 6.698 -4.859 8.025 1.00 0.03 H HETATM 2014 H24 SER A 220 6.807 -4.757 9.815 1.00 0.03 H HETATM 2015 H25 SER A 220 5.226 -4.515 8.996 1.00 0.03 H HETATM 2016 H21 SER A 220 5.280 -6.890 8.217 1.00 0.06 H HETATM 2017 H20 SER A 220 5.891 -6.955 11.202 1.00 0.08 H HETATM 2018 H19 SER A 220 4.327 -8.615 9.345 1.00 0.19 H HETATM 2019 CB SER A 220 4.698 -11.534 11.253 1.00 -0.01 C HETATM 2020 CG SER A 220 4.074 -12.935 11.293 1.00 -0.04 C HETATM 2021 CD1 SER A 220 5.104 -13.986 11.667 1.00 -0.06 C HETATM 2022 H13 SER A 220 4.626 -14.977 11.687 1.00 0.02 H HETATM 2023 H14 SER A 220 5.516 -13.758 12.661 1.00 0.02 H HETATM 2024 H15 SER A 220 5.915 -13.985 10.924 1.00 0.02 H HETATM 2025 CD2 SER A 220 2.903 -12.973 12.258 1.00 -0.06 C HETATM 2026 H16 SER A 220 2.168 -12.206 11.973 1.00 0.02 H HETATM 2027 H17 SER A 220 3.262 -12.774 13.278 1.00 0.02 H HETATM 2028 H18 SER A 220 2.430 -13.966 12.222 1.00 0.02 H HETATM 2029 H12 SER A 220 3.697 -13.169 10.286 1.00 0.03 H HETATM 2030 H10 SER A 220 5.268 -11.385 12.182 1.00 0.03 H HETATM 2031 H11 SER A 220 5.380 -11.486 10.392 1.00 0.03 H HETATM 2032 H9 SER A 220 2.944 -10.495 11.934 1.00 0.08 H HETATM 2033 H8 SER A 220 3.452 -10.793 9.056 1.00 0.19 H HETATM 2034 CB SER A 220 0.794 -8.841 7.740 1.00 0.10 C HETATM 2035 OG SER A 220 0.805 -7.822 8.721 1.00 -0.39 O HETATM 2036 H7 SER A 220 0.150 -8.013 9.382 1.00 0.21 H HETATM 2037 H5 SER A 220 -0.202 -8.871 7.273 1.00 0.06 H HETATM 2038 H6 SER A 220 1.550 -8.604 6.977 1.00 0.06 H HETATM 2039 H4 SER A 220 1.847 -10.710 7.680 1.00 0.11 H HETATM 2040 H1 SER A 220 -0.481 -11.129 7.420 1.00 0.20 H HETATM 2041 H2 SER A 220 -0.790 -10.633 8.959 1.00 0.20 H HETATM 2042 H3 SER A 220 0.130 -11.973 8.695 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1871 1872 2040 2041 2042 CONECT 1872 1871 1873 2034 2039 CONECT 1873 1872 1874 1875 CONECT 1874 1873 CONECT 1875 1873 1876 2033 CONECT 1876 1875 1877 2019 2032 CONECT 1877 1876 1878 1879 CONECT 1878 1877 CONECT 1879 1877 1880 2018 CONECT 1880 1879 1881 2009 2017 CONECT 1881 1880 1882 1883 CONECT 1882 1881 CONECT 1883 1881 1884 2008 CONECT 1884 1883 1885 1994 2007 CONECT 1885 1884 1886 1887 CONECT 1886 1885 CONECT 1887 1885 1888 1993 CONECT 1888 1887 1889 1974 1992 CONECT 1889 1888 1890 1891 CONECT 1890 1889 CONECT 1891 1889 1892 1973 CONECT 1892 1891 1893 1968 1972 CONECT 1893 1892 1894 1895 CONECT 1894 1893 CONECT 1895 1893 1896 1967 CONECT 1896 1895 1897 1955 1966 CONECT 1897 1896 1898 1899 CONECT 1898 1897 CONECT 1899 1897 1900 1954 CONECT 1900 1899 1901 1943 1953 CONECT 1901 1900 1902 1903 CONECT 1902 1901 CONECT 1903 1901 1904 1942 CONECT 1904 1903 1905 1930 1941 CONECT 1905 1904 1906 1907 CONECT 1906 1905 CONECT 1907 1905 1908 1929 CONECT 1908 1907 1909 1912 1928 CONECT 1909 1908 1910 1911 CONECT 1910 1909 CONECT 1911 1909 CONECT 1912 1908 1913 1926 1927 CONECT 1913 1912 1914 1924 1925 CONECT 1914 1913 1915 1922 1923 CONECT 1915 1914 1916 1920 1921 CONECT 1916 1915 1917 1918 1919 CONECT 1917 1916 CONECT 1918 1916 CONECT 1919 1916 CONECT 1920 1915 CONECT 1921 1915 CONECT 1922 1914 CONECT 1923 1914 CONECT 1924 1913 CONECT 1925 1913 CONECT 1926 1912 CONECT 1927 1912 CONECT 1928 1908 CONECT 1929 1907 CONECT 1930 1904 1931 1939 1940 CONECT 1931 1930 1932 1937 1938 CONECT 1932 1931 1933 1934 CONECT 1933 1932 CONECT 1934 1932 1935 1936 CONECT 1935 1934 CONECT 1936 1934 CONECT 1937 1931 CONECT 1938 1931 CONECT 1939 1930 CONECT 1940 1930 CONECT 1941 1904 CONECT 1942 1903 CONECT 1943 1900 1944 1948 1952 CONECT 1944 1943 1945 1946 1947 CONECT 1945 1944 CONECT 1946 1944 CONECT 1947 1944 CONECT 1948 1943 1949 1950 1951 CONECT 1949 1948 CONECT 1950 1948 CONECT 1951 1948 CONECT 1952 1943 CONECT 1953 1900 CONECT 1954 1899 CONECT 1955 1896 1956 1964 1965 CONECT 1956 1955 1957 1962 1963 CONECT 1957 1956 1958 1959 CONECT 1958 1957 CONECT 1959 1957 1960 1961 CONECT 1960 1959 CONECT 1961 1959 CONECT 1962 1956 CONECT 1963 1956 CONECT 1964 1955 CONECT 1965 1955 CONECT 1966 1896 CONECT 1967 1895 CONECT 1968 1892 1969 1970 1971 CONECT 1969 1968 CONECT 1970 1968 CONECT 1971 1968 CONECT 1972 1892 CONECT 1973 1891 CONECT 1974 1888 1975 1990 1991 CONECT 1975 1974 1976 1980 CONECT 1976 1975 1977 1989 CONECT 1977 1976 1978 1988 CONECT 1978 1977 1979 1983 CONECT 1979 1978 1980 1982 CONECT 1980 1975 1979 1981 CONECT 1981 1980 CONECT 1982 1979 CONECT 1983 1978 1984 CONECT 1984 1983 1985 1986 1987 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1984 CONECT 1988 1977 CONECT 1989 1976 CONECT 1990 1974 CONECT 1991 1974 CONECT 1992 1888 CONECT 1993 1887 CONECT 1994 1884 1995 2002 2006 CONECT 1995 1994 1996 2000 2001 CONECT 1996 1995 1997 1998 1999 CONECT 1997 1996 CONECT 1998 1996 CONECT 1999 1996 CONECT 2000 1995 CONECT 2001 1995 CONECT 2002 1994 2003 2004 2005 CONECT 2003 2002 CONECT 2004 2002 CONECT 2005 2002 CONECT 2006 1994 CONECT 2007 1884 CONECT 2008 1883 CONECT 2009 1880 2010 2012 2016 CONECT 2010 2009 2011 CONECT 2011 2010 CONECT 2012 2009 2013 2014 2015 CONECT 2013 2012 CONECT 2014 2012 CONECT 2015 2012 CONECT 2016 2009 CONECT 2017 1880 CONECT 2018 1879 CONECT 2019 1876 2020 2030 2031 CONECT 2020 2019 2021 2025 2029 CONECT 2021 2020 2022 2023 2024 CONECT 2022 2021 CONECT 2023 2021 CONECT 2024 2021 CONECT 2025 2020 2026 2027 2028 CONECT 2026 2025 CONECT 2027 2025 CONECT 2028 2025 CONECT 2029 2020 CONECT 2030 2019 CONECT 2031 2019 CONECT 2032 1876 CONECT 2033 1875 CONECT 2034 1872 2035 2037 2038 CONECT 2035 2034 2036 CONECT 2036 2035 CONECT 2037 2034 CONECT 2038 2034 CONECT 2039 1872 CONECT 2040 1871 CONECT 2041 1871 CONECT 2042 1871 MASTER 0 0 0 0 0 0 0 0 2041 1 176 8 END
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Protein
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Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
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RCSB PDB
PDBbind
11aa, >1D4T_2|Chain... at 100%
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RCSB PDB
PDBbind
14aa, >1I3Z_2|Chain... *
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12aa, >1KA7_2|Chain... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1avp
RCSB PDB
PDBbind
11-mer
1bbz
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PDBbind
11-mer
1c5f
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
1cwc
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
1d4t
RCSB PDB
PDBbind
11-mer
1d8e
RCSB PDB
PDBbind
11-mer
1ddm
RCSB PDB
PDBbind
11-mer
1ff1
RCSB PDB
PDBbind
11-mer
1h25
RCSB PDB
PDBbind
11-mer
1h26
RCSB PDB
PDBbind
11-mer
1h27
RCSB PDB
PDBbind
11-mer
1h28
RCSB PDB
PDBbind
11-mer
1h3h
RCSB PDB
PDBbind
11-mer
1h6e
RCSB PDB
PDBbind
11-mer
1iq1
RCSB PDB
PDBbind
11-mer
1irs
RCSB PDB
PDBbind
11-mer
1jm4
RCSB PDB
PDBbind
11-mer
1l2z
RCSB PDB
PDBbind
11-mer
1lcj
RCSB PDB
PDBbind
11-mer
1mik
RCSB PDB
PDBbind
11-mer
1om2
RCSB PDB
PDBbind
11-mer
1ox9
RCSB PDB
PDBbind
11-mer
1qng
RCSB PDB
PDBbind
11-mer
1qnh
RCSB PDB
PDBbind
11-mer
1s9v
RCSB PDB
PDBbind
11-mer
1sps
RCSB PDB
PDBbind
11-mer
1ths
RCSB PDB
PDBbind
11-mer
1uj0
RCSB PDB
PDBbind
11-mer
1ukh
RCSB PDB
PDBbind
11-mer
1xn2
RCSB PDB
PDBbind
11-mer
1zh7
RCSB PDB
PDBbind
11-mer
1zub
RCSB PDB
PDBbind
11-mer
2aof
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
2bj4
RCSB PDB
PDBbind
11-mer
2bz8
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
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2cv3
RCSB PDB
PDBbind
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2eh8
RCSB PDB
PDBbind
11-mer
2ez5
RCSB PDB
PDBbind
11-mer
2h2g
RCSB PDB
PDBbind
11-mer
2h2h
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
2h9n
RCSB PDB
PDBbind
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2h9p
RCSB PDB
PDBbind
11-mer
2hdx
RCSB PDB
PDBbind
11-mer
2hmh
RCSB PDB
PDBbind
11-mer
2jdl
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PDBbind
11-mer
2jkr
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PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
2kpl
RCSB PDB
PDBbind
11-mer
2ks9
RCSB PDB
PDBbind
11-mer
2ksa
RCSB PDB
PDBbind
11-mer
2ksb
RCSB PDB
PDBbind
11-mer
2l3r
RCSB PDB
PDBbind
11-mer
2m0o
RCSB PDB
PDBbind
11-mer
2m3m
RCSB PDB
PDBbind
11-mer
2m3o
RCSB PDB
PDBbind
11-mer
2o9k
RCSB PDB
PDBbind
11-mer
2or9
RCSB PDB
PDBbind
11-mer
2qhr
RCSB PDB
PDBbind
11-mer
2r02
RCSB PDB
PDBbind
11-mer
2r05
RCSB PDB
PDBbind
11-mer
2w9r
RCSB PDB
PDBbind
11-mer
2wfj
RCSB PDB
PDBbind
11-mer
2x2c
RCSB PDB
PDBbind
11-mer
2z6w
RCSB PDB
PDBbind
11-mer
3asl
RCSB PDB
PDBbind
11-mer
3ax5
RCSB PDB
PDBbind
11-mer
3dpo
RCSB PDB
PDBbind
11-mer
3e8u
RCSB PDB
PDBbind
11-mer
3eov
RCSB PDB
PDBbind
11-mer
3eyf
RCSB PDB
PDBbind
11-mer
3gxz
RCSB PDB
PDBbind
11-mer
3i90
RCSB PDB
PDBbind
11-mer
3iiw
RCSB PDB
PDBbind
11-mer
3iiy
RCSB PDB
PDBbind
11-mer
3ij0
RCSB PDB
PDBbind
11-mer
3ij1
RCSB PDB
PDBbind
11-mer
3lgl
RCSB PDB
PDBbind
11-mer
3ll8
RCSB PDB
PDBbind
11-mer
3m53
RCSB PDB
PDBbind
11-mer
3m54
RCSB PDB
PDBbind
11-mer
3m55
RCSB PDB
PDBbind
11-mer
3m56
RCSB PDB
PDBbind
11-mer
3m57
RCSB PDB
PDBbind
11-mer
3m58
RCSB PDB
PDBbind
11-mer
3m59
RCSB PDB
PDBbind
11-mer
3m5a
RCSB PDB
PDBbind
11-mer
3me9
RCSB PDB
PDBbind
11-mer
3mea
RCSB PDB
PDBbind
11-mer
3met
RCSB PDB
PDBbind
11-mer
3oap
RCSB PDB
PDBbind
11-mer
3odi
RCSB PDB
PDBbind
11-mer
3odl
RCSB PDB
PDBbind
11-mer
3p4f
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PDBbind
11-mer
3p9h
RCSB PDB
PDBbind
11-mer
3pqz
RCSB PDB
PDBbind
11-mer
3qzv
RCSB PDB
PDBbind
11-mer
3rbq
RCSB PDB
PDBbind
11-mer
3rl7
RCSB PDB
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11-mer
3rl8
RCSB PDB
PDBbind
11-mer
3rwd
RCSB PDB
PDBbind
11-mer
3tg5
RCSB PDB
PDBbind
11-mer
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RCSB PDB
PDBbind
11-mer
3uvk
RCSB PDB
PDBbind
11-mer
3uvl
RCSB PDB
PDBbind
11-mer
3uvn
RCSB PDB
PDBbind
11-mer
3uvo
RCSB PDB
PDBbind
11-mer
3uvx
RCSB PDB
PDBbind
11-mer
3uw9
RCSB PDB
PDBbind
11-mer
3v2x
RCSB PDB
PDBbind
11-mer
3va4
RCSB PDB
PDBbind
11-mer
3zke
RCSB PDB
PDBbind
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
1d4w
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SAP
Ligand Name
11-mer
EC.Number
E.C.-.-.-.-
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=120nM
Release Year
1999
Protein/NA Sequence
Check fasta file
Primary Reference
(1999) Mol.Cell Vol. 4: pp. 555-561
Ligand Properties
Formula
C
5
2
H
9
1
N
1
3
O
1
9
P
Molecular Weight
1233.330
Exact Mass
1232.630
No. of atoms
176
No. of bonds
176
Polar Surface Area
564.63
LOGP Value
-7.53 (
Computed with XLOGP3
)
-1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 49
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CC(C)C)Cc1ccc(cc1)OP(O)(O)O)C)CCC(=O)N)CCC(=O)N
InChI String
InChI=1S/C52H90N13O19P/c1-9-27(6)41(64-51(78)42(29(8)67)65-48(75)36(22-25(2)3)61-44(71)32(54)24-66)50(77)62-37(23-30-13-15-31(16-14-30)84-85(81,82)83)47(74)57-28(7)43(70)58-34(18-20-39(56)69)46(73)63-40(26(4)5)49(76)59-33(17-19-38(55)68)45(72)60-35(52(79)80)12-10-11-21-53/h13-16,25-29,32-37,40-42,66-67,81-83,85H,9-12,17-24,53-54H2,1-8H3,(H2,55,68)(H2,56,69)(H,57,74)(H,58,70)(H,59,76)(H,60,72)(H,61,71)(H,62,77)(H,63,73)(H,64,78)(H,65,75)(H,79,80)/p+2/t27-,28-,29+,32-,33-,34-,35-,36-,37-,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):
O60880
Q13291
Entrez Gene ID
NCBI Entrez Gene ID:
4068
6504
ASD
Information of known allosteric effects of PDB entries
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