Browse entries in the PDBbind-CN Database
HEADER 3FEA_COMPLEX COMPND 3FEA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 83 GLN VAL ARG PRO LYS LEU PRO LEU LEU LYS ILE LEU HIS SEQRES 2 A 83 ALA ALA GLY ALA GLN GLY GLU MET PHE THR VAL LYS GLU SEQRES 3 A 83 VAL MET HIS TYR LEU GLY GLN TYR ILE MET VAL LYS GLN SEQRES 4 A 83 LEU TYR ASP GLN GLN GLU GLN HIS MET VAL TYR CYS GLY SEQRES 5 A 83 GLY ASP LEU LEU GLY GLU LEU LEU GLY ARG GLN SER PHE SEQRES 6 A 83 SER VAL LYS ASP PRO SER PRO LEU TYR ASP MET LEU ARG SEQRES 7 A 83 LYS ASN LEU VAL THR HET ACE A 162 154 ATOM 1 N GLN A 26 32.400 7.313 -6.313 1.00 26.55 N ATOM 2 CA GLN A 26 31.019 7.210 -6.882 1.00 25.57 C ATOM 3 C GLN A 26 30.311 5.889 -6.582 1.00 24.25 C ATOM 4 O GLN A 26 30.934 4.893 -6.199 1.00 24.35 O ATOM 5 CB GLN A 26 31.001 7.523 -8.374 1.00 26.91 C ATOM 6 CG GLN A 26 31.330 8.991 -8.636 1.00 29.36 C ATOM 7 CD GLN A 26 30.946 9.480 -10.012 1.00 33.06 C ATOM 8 OE1 GLN A 26 29.904 9.110 -10.555 1.00 34.33 O ATOM 9 NE2 GLN A 26 31.779 10.359 -10.576 1.00 35.41 N ATOM 10 HA GLN A 26 30.440 7.973 -6.362 1.00 0.00 H ATOM 11 HB2 GLN A 26 31.739 6.898 -8.877 1.00 0.00 H ATOM 12 HB3 GLN A 26 30.010 7.304 -8.771 1.00 0.00 H ATOM 13 HG2 GLN A 26 30.802 9.596 -7.899 1.00 0.00 H ATOM 14 HG3 GLN A 26 32.404 9.127 -8.513 1.00 0.00 H ATOM 15 HE22 GLN A 26 32.648 10.643 -10.081 1.00 0.00 H ATOM 16 HE21 GLN A 26 31.558 10.759 -11.510 1.00 0.00 H ATOM 17 HN3 GLN A 26 32.993 6.554 -6.705 1.00 0.00 H ATOM 18 HN2 GLN A 26 32.355 7.220 -5.278 1.00 0.00 H ATOM 19 HN1 GLN A 26 32.808 8.237 -6.562 1.00 0.00 H ATOM 20 N VAL A 27 28.994 5.905 -6.756 1.00 20.90 N ATOM 21 CA VAL A 27 28.129 4.824 -6.315 1.00 19.27 C ATOM 22 C VAL A 27 27.100 4.533 -7.393 1.00 17.12 C ATOM 23 O VAL A 27 26.758 5.394 -8.201 1.00 17.45 O ATOM 24 CB VAL A 27 27.395 5.166 -4.983 1.00 18.55 C ATOM 25 CG1 VAL A 27 28.389 5.308 -3.805 1.00 21.34 C ATOM 26 CG2 VAL A 27 26.494 6.416 -5.119 1.00 19.19 C ATOM 27 HA VAL A 27 28.755 3.950 -6.135 1.00 0.00 H ATOM 28 HB VAL A 27 26.739 4.325 -4.759 1.00 0.00 H ATOM 29 HG11 VAL A 27 28.928 4.370 -3.671 1.00 0.00 H ATOM 30 HG12 VAL A 27 29.097 6.107 -4.023 1.00 0.00 H ATOM 31 HG13 VAL A 27 27.840 5.546 -2.894 1.00 0.00 H ATOM 32 HG21 VAL A 27 27.105 7.274 -5.400 1.00 0.00 H ATOM 33 HG22 VAL A 27 25.741 6.238 -5.886 1.00 0.00 H ATOM 34 HG23 VAL A 27 26.004 6.614 -4.166 1.00 0.00 H ATOM 35 H VAL A 27 28.564 6.726 -7.228 1.00 0.00 H ATOM 36 N ARG A 28 26.615 3.295 -7.396 1.00 17.00 N ATOM 37 CA ARG A 28 25.553 2.903 -8.328 1.00 15.92 C ATOM 38 C ARG A 28 24.371 2.415 -7.508 1.00 15.47 C ATOM 39 O ARG A 28 24.449 1.407 -6.821 1.00 15.59 O ATOM 40 CB ARG A 28 26.023 1.816 -9.317 1.00 17.72 C ATOM 41 CG ARG A 28 27.118 2.284 -10.251 1.00 21.15 C ATOM 42 CD ARG A 28 27.354 1.255 -11.347 1.00 27.39 C ATOM 43 NE ARG A 28 28.423 1.642 -12.269 1.00 31.66 N ATOM 44 CZ ARG A 28 29.564 0.967 -12.412 1.00 34.98 C ATOM 45 NH1 ARG A 28 29.789 -0.138 -11.705 1.00 37.08 N ATOM 46 NH2 ARG A 28 30.487 1.389 -13.270 1.00 36.88 N ATOM 47 HA ARG A 28 25.269 3.763 -8.934 1.00 0.00 H ATOM 48 HB2 ARG A 28 26.396 0.967 -8.745 1.00 0.00 H ATOM 49 HB3 ARG A 28 25.169 1.501 -9.916 1.00 0.00 H ATOM 50 HG2 ARG A 28 26.824 3.231 -10.704 1.00 0.00 H ATOM 51 HG3 ARG A 28 28.039 2.424 -9.684 1.00 0.00 H ATOM 52 HD2 ARG A 28 26.432 1.133 -11.915 1.00 0.00 H ATOM 53 HD3 ARG A 28 27.621 0.306 -10.882 1.00 0.00 H ATOM 54 HE ARG A 28 28.284 2.495 -12.848 1.00 0.00 H ATOM 55 HH12 ARG A 28 30.682 -0.658 -11.823 1.00 0.00 H ATOM 56 HH11 ARG A 28 29.072 -0.481 -11.035 1.00 0.00 H ATOM 57 HH22 ARG A 28 31.376 0.860 -13.379 1.00 0.00 H ATOM 58 HH21 ARG A 28 30.320 2.248 -13.832 1.00 0.00 H ATOM 59 H ARG A 28 26.994 2.594 -6.728 1.00 0.00 H ATOM 60 N PRO A 29 23.250 3.147 -7.543 1.00 14.57 N ATOM 61 CA PRO A 29 22.087 2.733 -6.760 1.00 14.27 C ATOM 62 C PRO A 29 21.420 1.445 -7.281 1.00 14.36 C ATOM 63 O PRO A 29 21.384 1.235 -8.492 1.00 14.56 O ATOM 64 CB PRO A 29 21.120 3.924 -6.886 1.00 14.95 C ATOM 65 CG PRO A 29 22.035 5.100 -7.174 1.00 15.68 C ATOM 66 CD PRO A 29 23.120 4.526 -8.060 1.00 14.83 C ATOM 67 HA PRO A 29 22.372 2.496 -5.735 1.00 0.00 H ATOM 68 HD3 PRO A 29 22.818 4.529 -9.107 1.00 0.00 H ATOM 69 HD2 PRO A 29 24.053 5.079 -7.951 1.00 0.00 H ATOM 70 HG3 PRO A 29 22.459 5.494 -6.250 1.00 0.00 H ATOM 71 HG2 PRO A 29 21.494 5.892 -7.691 1.00 0.00 H ATOM 72 HB2 PRO A 29 20.416 3.769 -7.704 1.00 0.00 H ATOM 73 HB3 PRO A 29 20.569 4.078 -5.958 1.00 0.00 H ATOM 74 N LYS A 30 20.895 0.641 -6.363 1.00 14.14 N ATOM 75 CA LYS A 30 20.005 -0.456 -6.725 1.00 14.57 C ATOM 76 C LYS A 30 18.758 0.127 -7.372 1.00 14.56 C ATOM 77 O LYS A 30 18.463 1.341 -7.246 1.00 14.03 O ATOM 78 CB LYS A 30 19.663 -1.325 -5.509 1.00 15.26 C ATOM 79 CG LYS A 30 20.863 -2.048 -4.938 1.00 16.25 C ATOM 80 CD LYS A 30 20.523 -2.920 -3.749 1.00 18.08 C ATOM 81 CE LYS A 30 21.805 -3.577 -3.274 1.00 19.29 C ATOM 82 NZ LYS A 30 21.597 -4.279 -1.974 1.00 23.80 N ATOM 83 HA LYS A 30 20.505 -1.113 -7.437 1.00 0.00 H ATOM 84 HB2 LYS A 30 19.242 -0.686 -4.733 1.00 0.00 H ATOM 85 HB3 LYS A 30 18.922 -2.066 -5.809 1.00 0.00 H ATOM 86 HG2 LYS A 30 21.292 -2.677 -5.718 1.00 0.00 H ATOM 87 HG3 LYS A 30 21.598 -1.306 -4.625 1.00 0.00 H ATOM 88 HD2 LYS A 30 20.101 -2.310 -2.950 1.00 0.00 H ATOM 89 HD3 LYS A 30 19.802 -3.683 -4.042 1.00 0.00 H ATOM 90 HE2 LYS A 30 22.572 -2.813 -3.148 1.00 0.00 H ATOM 91 HE3 LYS A 30 22.133 -4.300 -4.021 1.00 0.00 H ATOM 92 HZ1 LYS A 30 21.288 -3.593 -1.256 1.00 0.00 H ATOM 93 HZ2 LYS A 30 20.869 -5.013 -2.090 1.00 0.00 H ATOM 94 HZ3 LYS A 30 22.490 -4.719 -1.672 1.00 0.00 H ATOM 95 H LYS A 30 21.125 0.798 -5.361 1.00 0.00 H ATOM 96 N LEU A 31 17.982 -0.713 -8.066 1.00 14.19 N ATOM 97 CA LEU A 31 16.942 -0.217 -8.959 1.00 14.98 C ATOM 98 C LEU A 31 15.821 0.595 -8.309 1.00 15.24 C ATOM 99 O LEU A 31 15.464 1.649 -8.833 1.00 14.38 O ATOM 100 CB LEU A 31 16.379 -1.344 -9.849 1.00 15.86 C ATOM 101 CG LEU A 31 15.599 -0.827 -11.058 1.00 18.06 C ATOM 102 CD1 LEU A 31 16.447 0.093 -11.918 1.00 22.11 C ATOM 103 CD2 LEU A 31 15.162 -2.017 -11.882 1.00 22.28 C ATOM 104 HA LEU A 31 17.461 0.512 -9.581 1.00 0.00 H ATOM 105 HB2 LEU A 31 17.211 -1.951 -10.207 1.00 0.00 H ATOM 106 HB3 LEU A 31 15.714 -1.962 -9.246 1.00 0.00 H ATOM 107 HG LEU A 31 14.741 -0.255 -10.705 1.00 0.00 H ATOM 108 HD21 LEU A 31 16.041 -2.572 -12.211 1.00 0.00 H ATOM 109 HD22 LEU A 31 14.529 -2.664 -11.276 1.00 0.00 H ATOM 110 HD23 LEU A 31 14.603 -1.670 -12.751 1.00 0.00 H ATOM 111 HD11 LEU A 31 16.769 0.948 -11.324 1.00 0.00 H ATOM 112 HD12 LEU A 31 17.320 -0.451 -12.278 1.00 0.00 H ATOM 113 HD13 LEU A 31 15.858 0.440 -12.767 1.00 0.00 H ATOM 114 H LEU A 31 18.123 -1.739 -7.967 1.00 0.00 H ATOM 115 N PRO A 32 15.233 0.139 -7.202 1.00 15.32 N ATOM 116 CA PRO A 32 14.162 0.976 -6.641 1.00 16.08 C ATOM 117 C PRO A 32 14.656 2.383 -6.253 1.00 14.77 C ATOM 118 O PRO A 32 13.978 3.376 -6.563 1.00 15.37 O ATOM 119 CB PRO A 32 13.687 0.179 -5.424 1.00 16.03 C ATOM 120 CG PRO A 32 14.011 -1.294 -5.839 1.00 16.28 C ATOM 121 CD PRO A 32 15.332 -1.174 -6.534 1.00 16.22 C ATOM 122 HA PRO A 32 13.365 1.167 -7.359 1.00 0.00 H ATOM 123 HD3 PRO A 32 16.155 -1.190 -5.819 1.00 0.00 H ATOM 124 HD2 PRO A 32 15.468 -1.975 -7.261 1.00 0.00 H ATOM 125 HG3 PRO A 32 13.249 -1.687 -6.513 1.00 0.00 H ATOM 126 HG2 PRO A 32 14.087 -1.939 -4.964 1.00 0.00 H ATOM 127 HB2 PRO A 32 14.235 0.466 -4.526 1.00 0.00 H ATOM 128 HB3 PRO A 32 12.619 0.316 -5.255 1.00 0.00 H ATOM 129 N LEU A 33 15.840 2.472 -5.655 1.00 13.71 N ATOM 130 CA LEU A 33 16.407 3.794 -5.332 1.00 13.36 C ATOM 131 C LEU A 33 16.710 4.563 -6.620 1.00 13.44 C ATOM 132 O LEU A 33 16.421 5.782 -6.710 1.00 12.32 O ATOM 133 CB LEU A 33 17.648 3.640 -4.456 1.00 13.62 C ATOM 134 CG LEU A 33 18.331 4.988 -4.148 1.00 12.92 C ATOM 135 CD1 LEU A 33 17.407 6.017 -3.450 1.00 15.24 C ATOM 136 CD2 LEU A 33 19.587 4.722 -3.311 1.00 15.03 C ATOM 137 HA LEU A 33 15.677 4.371 -4.764 1.00 0.00 H ATOM 138 HB2 LEU A 33 17.355 3.174 -3.515 1.00 0.00 H ATOM 139 HB3 LEU A 33 18.361 2.997 -4.972 1.00 0.00 H ATOM 140 HG LEU A 33 18.594 5.447 -5.101 1.00 0.00 H ATOM 141 HD21 LEU A 33 19.305 4.228 -2.381 1.00 0.00 H ATOM 142 HD22 LEU A 33 20.267 4.081 -3.872 1.00 0.00 H ATOM 143 HD23 LEU A 33 20.079 5.668 -3.086 1.00 0.00 H ATOM 144 HD11 LEU A 33 16.551 6.228 -4.091 1.00 0.00 H ATOM 145 HD12 LEU A 33 17.060 5.607 -2.501 1.00 0.00 H ATOM 146 HD13 LEU A 33 17.962 6.937 -3.268 1.00 0.00 H ATOM 147 H LEU A 33 16.367 1.608 -5.415 1.00 0.00 H ATOM 148 N LEU A 34 17.238 3.896 -7.637 1.00 13.16 N ATOM 149 CA LEU A 34 17.524 4.584 -8.893 1.00 13.33 C ATOM 150 C LEU A 34 16.253 5.167 -9.517 1.00 14.14 C ATOM 151 O LEU A 34 16.273 6.289 -10.046 1.00 14.34 O ATOM 152 CB LEU A 34 18.218 3.635 -9.876 1.00 14.34 C ATOM 153 CG LEU A 34 18.762 4.279 -11.156 1.00 15.37 C ATOM 154 CD1 LEU A 34 19.854 5.322 -10.878 1.00 18.24 C ATOM 155 CD2 LEU A 34 19.302 3.184 -12.059 1.00 17.48 C ATOM 156 HA LEU A 34 18.195 5.414 -8.672 1.00 0.00 H ATOM 157 HB2 LEU A 34 19.054 3.167 -9.356 1.00 0.00 H ATOM 158 HB3 LEU A 34 17.498 2.870 -10.167 1.00 0.00 H ATOM 159 HG LEU A 34 17.943 4.810 -11.641 1.00 0.00 H ATOM 160 HD21 LEU A 34 20.101 2.651 -11.543 1.00 0.00 H ATOM 161 HD22 LEU A 34 18.499 2.489 -12.305 1.00 0.00 H ATOM 162 HD23 LEU A 34 19.692 3.629 -12.974 1.00 0.00 H ATOM 163 HD11 LEU A 34 19.446 6.116 -10.252 1.00 0.00 H ATOM 164 HD12 LEU A 34 20.688 4.845 -10.364 1.00 0.00 H ATOM 165 HD13 LEU A 34 20.201 5.744 -11.822 1.00 0.00 H ATOM 166 H LEU A 34 17.449 2.882 -7.540 1.00 0.00 H ATOM 167 N LYS A 35 15.129 4.463 -9.419 1.00 14.17 N ATOM 168 CA LYS A 35 13.876 4.959 -9.974 1.00 15.30 C ATOM 169 C LYS A 35 13.401 6.210 -9.237 1.00 14.33 C ATOM 170 O LYS A 35 12.851 7.129 -9.852 1.00 14.26 O ATOM 171 CB LYS A 35 12.800 3.886 -9.957 1.00 17.36 C ATOM 172 CG LYS A 35 13.099 2.748 -10.915 1.00 20.67 C ATOM 173 CD LYS A 35 11.872 1.906 -11.119 1.00 29.65 C ATOM 174 CE LYS A 35 12.166 0.719 -12.015 1.00 31.89 C ATOM 175 NZ LYS A 35 11.132 -0.356 -11.854 1.00 35.45 N ATOM 176 HA LYS A 35 14.065 5.229 -11.013 1.00 0.00 H ATOM 177 HB2 LYS A 35 12.724 3.483 -8.947 1.00 0.00 H ATOM 178 HB3 LYS A 35 11.849 4.339 -10.238 1.00 0.00 H ATOM 179 HG2 LYS A 35 13.418 3.158 -11.873 1.00 0.00 H ATOM 180 HG3 LYS A 35 13.896 2.129 -10.502 1.00 0.00 H ATOM 181 HD2 LYS A 35 11.523 1.544 -10.152 1.00 0.00 H ATOM 182 HD3 LYS A 35 11.094 2.516 -11.579 1.00 0.00 H ATOM 183 HE2 LYS A 35 13.144 0.313 -11.757 1.00 0.00 H ATOM 184 HE3 LYS A 35 12.174 1.051 -13.053 1.00 0.00 H ATOM 185 HZ1 LYS A 35 11.123 -0.681 -10.866 1.00 0.00 H ATOM 186 HZ2 LYS A 35 10.197 0.024 -12.104 1.00 0.00 H ATOM 187 HZ3 LYS A 35 11.362 -1.153 -12.481 1.00 0.00 H ATOM 188 H LYS A 35 15.144 3.541 -8.937 1.00 0.00 H ATOM 189 N ILE A 36 13.635 6.279 -7.931 1.00 13.01 N ATOM 190 CA ILE A 36 13.336 7.500 -7.175 1.00 13.16 C ATOM 191 C ILE A 36 14.186 8.661 -7.701 1.00 11.71 C ATOM 192 O ILE A 36 13.671 9.757 -7.970 1.00 12.53 O ATOM 193 CB ILE A 36 13.590 7.267 -5.668 1.00 12.64 C ATOM 194 CG1 ILE A 36 12.483 6.351 -5.123 1.00 14.72 C ATOM 195 CG2 ILE A 36 13.646 8.585 -4.903 1.00 13.38 C ATOM 196 CD1 ILE A 36 12.687 5.877 -3.721 1.00 18.09 C ATOM 197 HA ILE A 36 12.285 7.757 -7.307 1.00 0.00 H ATOM 198 HB ILE A 36 14.560 6.788 -5.532 1.00 0.00 H ATOM 199 HG12 ILE A 36 11.541 6.899 -5.161 1.00 0.00 H ATOM 200 HG13 ILE A 36 12.419 5.476 -5.770 1.00 0.00 H ATOM 201 HD11 ILE A 36 13.617 5.312 -3.662 1.00 0.00 H ATOM 202 HD12 ILE A 36 12.739 6.736 -3.052 1.00 0.00 H ATOM 203 HD13 ILE A 36 11.853 5.238 -3.430 1.00 0.00 H ATOM 204 HG21 ILE A 36 14.454 9.200 -5.300 1.00 0.00 H ATOM 205 HG22 ILE A 36 12.698 9.111 -5.017 1.00 0.00 H ATOM 206 HG23 ILE A 36 13.826 8.383 -3.847 1.00 0.00 H ATOM 207 H ILE A 36 14.036 5.456 -7.438 1.00 0.00 H ATOM 208 N LEU A 37 15.474 8.426 -7.897 1.00 11.78 N ATOM 209 CA LEU A 37 16.360 9.493 -8.397 1.00 12.04 C ATOM 210 C LEU A 37 15.923 9.945 -9.791 1.00 12.77 C ATOM 211 O LEU A 37 15.846 11.157 -10.054 1.00 13.50 O ATOM 212 CB LEU A 37 17.826 9.086 -8.386 1.00 12.90 C ATOM 213 CG LEU A 37 18.361 8.533 -7.046 1.00 12.39 C ATOM 214 CD1 LEU A 37 19.835 8.231 -7.177 1.00 15.04 C ATOM 215 CD2 LEU A 37 18.061 9.427 -5.824 1.00 13.22 C ATOM 216 HA LEU A 37 16.267 10.336 -7.712 1.00 0.00 H ATOM 217 HB2 LEU A 37 17.965 8.316 -9.145 1.00 0.00 H ATOM 218 HB3 LEU A 37 18.419 9.963 -8.647 1.00 0.00 H ATOM 219 HG LEU A 37 17.816 7.611 -6.843 1.00 0.00 H ATOM 220 HD21 LEU A 37 18.518 10.406 -5.971 1.00 0.00 H ATOM 221 HD22 LEU A 37 16.982 9.541 -5.715 1.00 0.00 H ATOM 222 HD23 LEU A 37 18.472 8.964 -4.927 1.00 0.00 H ATOM 223 HD11 LEU A 37 19.984 7.489 -7.962 1.00 0.00 H ATOM 224 HD12 LEU A 37 20.371 9.145 -7.433 1.00 0.00 H ATOM 225 HD13 LEU A 37 20.210 7.841 -6.231 1.00 0.00 H ATOM 226 H LEU A 37 15.863 7.483 -7.697 1.00 0.00 H ATOM 227 N HIS A 38 15.619 8.999 -10.676 1.00 13.17 N ATOM 228 CA HIS A 38 15.128 9.338 -12.029 1.00 13.16 C ATOM 229 C HIS A 38 13.819 10.112 -11.990 1.00 13.24 C ATOM 230 O HIS A 38 13.641 11.069 -12.782 1.00 13.93 O ATOM 231 CB HIS A 38 14.920 8.077 -12.854 1.00 13.86 C ATOM 232 CG HIS A 38 16.177 7.404 -13.261 1.00 13.77 C ATOM 233 ND1 HIS A 38 16.176 6.123 -13.791 1.00 15.54 N ATOM 234 CD2 HIS A 38 17.469 7.798 -13.225 1.00 15.27 C ATOM 235 CE1 HIS A 38 17.414 5.781 -14.080 1.00 15.37 C ATOM 236 NE2 HIS A 38 18.220 6.777 -13.760 1.00 17.23 N ATOM 237 HA HIS A 38 15.891 9.968 -12.486 1.00 0.00 H ATOM 238 HB2 HIS A 38 14.331 7.375 -12.264 1.00 0.00 H ATOM 239 HB3 HIS A 38 14.368 8.344 -13.755 1.00 0.00 H ATOM 240 HD2 HIS A 38 17.846 8.747 -12.844 1.00 0.00 H ATOM 241 HE1 HIS A 38 17.724 4.830 -14.513 1.00 0.00 H ATOM 242 H HIS A 38 15.729 8.000 -10.410 1.00 0.00 H ATOM 243 N ALA A 39 12.905 9.760 -11.098 1.00 13.05 N ATOM 244 CA ALA A 39 11.641 10.493 -10.969 1.00 14.37 C ATOM 245 C ALA A 39 11.878 11.959 -10.652 1.00 14.61 C ATOM 246 O ALA A 39 11.079 12.816 -11.029 1.00 16.36 O ATOM 247 CB ALA A 39 10.741 9.864 -9.924 1.00 14.64 C ATOM 248 HA ALA A 39 11.136 10.433 -11.933 1.00 0.00 H ATOM 249 HB1 ALA A 39 10.518 8.836 -10.210 1.00 0.00 H ATOM 250 HB2 ALA A 39 11.247 9.872 -8.958 1.00 0.00 H ATOM 251 HB3 ALA A 39 9.814 10.433 -9.855 1.00 0.00 H ATOM 252 H ALA A 39 13.088 8.947 -10.476 1.00 0.00 H ATOM 253 N ALA A 40 12.989 12.231 -9.966 1.00 14.31 N ATOM 254 CA ALA A 40 13.329 13.571 -9.524 1.00 14.88 C ATOM 255 C ALA A 40 14.280 14.286 -10.473 1.00 15.09 C ATOM 256 O ALA A 40 14.797 15.339 -10.121 1.00 15.70 O ATOM 257 CB ALA A 40 13.970 13.474 -8.153 1.00 15.71 C ATOM 258 HA ALA A 40 12.410 14.156 -9.497 1.00 0.00 H ATOM 259 HB1 ALA A 40 13.267 13.018 -7.456 1.00 0.00 H ATOM 260 HB2 ALA A 40 14.870 12.862 -8.216 1.00 0.00 H ATOM 261 HB3 ALA A 40 14.232 14.473 -7.805 1.00 0.00 H ATOM 262 H ALA A 40 13.638 11.451 -9.739 1.00 0.00 H ATOM 263 N GLY A 41 14.541 13.699 -11.642 1.00 14.56 N ATOM 264 CA GLY A 41 15.314 14.363 -12.691 1.00 15.57 C ATOM 265 C GLY A 41 16.703 13.823 -12.942 1.00 15.12 C ATOM 266 O GLY A 41 17.388 14.300 -13.859 1.00 16.36 O ATOM 267 HA3 GLY A 41 15.410 15.414 -12.418 1.00 0.00 H ATOM 268 HA2 GLY A 41 14.752 14.280 -13.621 1.00 0.00 H ATOM 269 H GLY A 41 14.183 12.738 -11.813 1.00 0.00 H ATOM 270 N ALA A 42 17.165 12.848 -12.148 1.00 15.10 N ATOM 271 CA ALA A 42 18.505 12.317 -12.337 1.00 14.89 C ATOM 272 C ALA A 42 18.627 11.557 -13.636 1.00 15.83 C ATOM 273 O ALA A 42 17.673 10.941 -14.096 1.00 16.04 O ATOM 274 CB ALA A 42 18.912 11.412 -11.160 1.00 15.00 C ATOM 275 HA ALA A 42 19.182 13.170 -12.377 1.00 0.00 H ATOM 276 HB1 ALA A 42 18.892 11.989 -10.236 1.00 0.00 H ATOM 277 HB2 ALA A 42 18.213 10.579 -11.085 1.00 0.00 H ATOM 278 HB3 ALA A 42 19.919 11.029 -11.329 1.00 0.00 H ATOM 279 H ALA A 42 16.561 12.468 -11.391 1.00 0.00 H ATOM 280 N GLN A 43 19.827 11.581 -14.196 1.00 17.57 N ATOM 281 CA GLN A 43 20.105 10.826 -15.416 1.00 19.61 C ATOM 282 C GLN A 43 21.191 9.803 -15.177 1.00 18.83 C ATOM 283 O GLN A 43 22.115 10.049 -14.414 1.00 19.47 O ATOM 284 CB GLN A 43 20.546 11.773 -16.531 1.00 21.18 C ATOM 285 CG GLN A 43 19.440 12.730 -16.974 1.00 26.10 C ATOM 286 CD GLN A 43 19.877 13.646 -18.096 1.00 30.73 C ATOM 287 OE1 GLN A 43 20.347 13.189 -19.141 1.00 35.42 O ATOM 288 NE2 GLN A 43 19.733 14.950 -17.881 1.00 34.50 N ATOM 289 HA GLN A 43 19.190 10.312 -15.711 1.00 0.00 H ATOM 290 HB2 GLN A 43 21.392 12.361 -16.174 1.00 0.00 H ATOM 291 HB3 GLN A 43 20.856 11.178 -17.390 1.00 0.00 H ATOM 292 HG2 GLN A 43 18.586 12.144 -17.314 1.00 0.00 H ATOM 293 HG3 GLN A 43 19.143 13.340 -16.121 1.00 0.00 H ATOM 294 HE22 GLN A 43 19.331 15.288 -16.983 1.00 0.00 H ATOM 295 HE21 GLN A 43 20.022 15.632 -18.611 1.00 0.00 H ATOM 296 H GLN A 43 20.584 12.146 -13.761 1.00 0.00 H ATOM 297 N GLY A 44 21.090 8.667 -15.868 1.00 18.93 N ATOM 298 CA GLY A 44 22.145 7.649 -15.802 1.00 18.16 C ATOM 299 C GLY A 44 22.109 6.804 -14.542 1.00 18.09 C ATOM 300 O GLY A 44 21.080 6.751 -13.853 1.00 18.07 O ATOM 301 HA3 GLY A 44 23.111 8.152 -15.850 1.00 0.00 H ATOM 302 HA2 GLY A 44 22.038 6.988 -16.662 1.00 0.00 H ATOM 303 H GLY A 44 20.252 8.500 -16.462 1.00 0.00 H ATOM 304 N GLU A 45 23.221 6.131 -14.267 1.00 18.15 N ATOM 305 CA GLU A 45 23.278 5.078 -13.257 1.00 18.05 C ATOM 306 C GLU A 45 24.317 5.262 -12.174 1.00 17.56 C ATOM 307 O GLU A 45 24.260 4.559 -11.183 1.00 17.79 O ATOM 308 CB GLU A 45 23.547 3.709 -13.913 1.00 19.00 C ATOM 309 CG GLU A 45 22.422 3.219 -14.812 1.00 24.14 C ATOM 310 CD GLU A 45 22.820 1.991 -15.613 1.00 32.69 C ATOM 311 OE1 GLU A 45 23.460 2.156 -16.675 1.00 36.68 O ATOM 312 OE2 GLU A 45 22.488 0.858 -15.190 1.00 37.83 O ATOM 313 HA GLU A 45 22.299 5.132 -12.780 1.00 0.00 H ATOM 314 HB2 GLU A 45 24.454 3.789 -14.512 1.00 0.00 H ATOM 315 HB3 GLU A 45 23.698 2.974 -13.122 1.00 0.00 H ATOM 316 HG2 GLU A 45 21.560 2.970 -14.192 1.00 0.00 H ATOM 317 HG3 GLU A 45 22.152 4.017 -15.504 1.00 0.00 H ATOM 318 H GLU A 45 24.087 6.364 -14.793 1.00 0.00 H ATOM 319 N MET A 46 25.268 6.178 -12.372 1.00 17.87 N ATOM 320 CA MET A 46 26.386 6.371 -11.453 1.00 18.34 C ATOM 321 C MET A 46 26.390 7.813 -10.937 1.00 16.54 C ATOM 322 O MET A 46 26.203 8.753 -11.719 1.00 17.60 O ATOM 323 CB MET A 46 27.730 6.053 -12.124 1.00 20.32 C ATOM 324 CG MET A 46 28.870 5.930 -11.137 1.00 23.89 C ATOM 325 SD MET A 46 30.392 5.271 -11.846 1.00 36.27 S ATOM 326 CE MET A 46 30.795 6.568 -12.997 1.00 33.35 C ATOM 327 HA MET A 46 26.258 5.682 -10.618 1.00 0.00 H ATOM 328 HB2 MET A 46 27.635 5.111 -12.664 1.00 0.00 H ATOM 329 HB3 MET A 46 27.964 6.851 -12.828 1.00 0.00 H ATOM 330 HG2 MET A 46 28.554 5.269 -10.330 1.00 0.00 H ATOM 331 HG3 MET A 46 29.081 6.920 -10.733 1.00 0.00 H ATOM 332 HE1 MET A 46 29.984 6.678 -13.717 1.00 0.00 H ATOM 333 HE2 MET A 46 30.930 7.504 -12.455 1.00 0.00 H ATOM 334 HE3 MET A 46 31.716 6.314 -13.521 1.00 0.00 H ATOM 335 H MET A 46 25.210 6.780 -13.218 1.00 0.00 H ATOM 336 N PHE A 47 26.600 7.966 -9.625 1.00 16.49 N ATOM 337 CA PHE A 47 26.476 9.271 -8.960 1.00 15.62 C ATOM 338 C PHE A 47 27.487 9.429 -7.846 1.00 16.15 C ATOM 339 O PHE A 47 27.965 8.448 -7.288 1.00 17.34 O ATOM 340 CB PHE A 47 25.078 9.390 -8.336 1.00 15.69 C ATOM 341 CG PHE A 47 23.976 9.241 -9.331 1.00 14.79 C ATOM 342 CD1 PHE A 47 23.550 10.313 -10.113 1.00 16.51 C ATOM 343 CD2 PHE A 47 23.385 7.989 -9.529 1.00 14.76 C ATOM 344 CE1 PHE A 47 22.543 10.141 -11.065 1.00 17.42 C ATOM 345 CE2 PHE A 47 22.400 7.819 -10.466 1.00 14.88 C ATOM 346 CZ PHE A 47 21.977 8.889 -11.243 1.00 17.47 C ATOM 347 HA PHE A 47 26.648 10.040 -9.713 1.00 0.00 H ATOM 348 HB2 PHE A 47 24.969 8.614 -7.579 1.00 0.00 H ATOM 349 HB3 PHE A 47 24.990 10.369 -7.866 1.00 0.00 H ATOM 350 HD2 PHE A 47 23.712 7.138 -8.931 1.00 0.00 H ATOM 351 HE2 PHE A 47 21.946 6.838 -10.602 1.00 0.00 H ATOM 352 HZ PHE A 47 21.200 8.744 -11.993 1.00 0.00 H ATOM 353 HE1 PHE A 47 22.204 10.986 -11.664 1.00 0.00 H ATOM 354 HD1 PHE A 47 24.007 11.294 -9.980 1.00 0.00 H ATOM 355 H PHE A 47 26.859 7.135 -9.057 1.00 0.00 H ATOM 356 N THR A 48 27.759 10.673 -7.446 1.00 15.37 N ATOM 357 CA THR A 48 28.407 10.870 -6.142 1.00 15.98 C ATOM 358 C THR A 48 27.376 10.731 -5.015 1.00 15.35 C ATOM 359 O THR A 48 26.159 10.819 -5.258 1.00 14.06 O ATOM 360 CB THR A 48 29.050 12.247 -6.010 1.00 16.63 C ATOM 361 OG1 THR A 48 28.014 13.218 -6.115 1.00 17.13 O ATOM 362 CG2 THR A 48 30.080 12.479 -7.109 1.00 19.32 C ATOM 363 HA THR A 48 29.184 10.109 -6.068 1.00 0.00 H ATOM 364 HB THR A 48 29.564 12.321 -5.052 1.00 0.00 H ATOM 365 HG1 THR A 48 28.403 14.124 -6.033 1.00 0.00 H ATOM 366 HG23 THR A 48 30.872 11.734 -7.026 1.00 0.00 H ATOM 367 HG21 THR A 48 29.597 12.391 -8.082 1.00 0.00 H ATOM 368 HG22 THR A 48 30.505 13.477 -7.002 1.00 0.00 H ATOM 369 H THR A 48 27.517 11.487 -8.046 1.00 0.00 H ATOM 370 N VAL A 49 27.828 10.499 -3.784 1.00 14.95 N ATOM 371 CA VAL A 49 26.919 10.466 -2.646 1.00 15.50 C ATOM 372 C VAL A 49 26.158 11.777 -2.526 1.00 14.70 C ATOM 373 O VAL A 49 24.958 11.764 -2.278 1.00 13.95 O ATOM 374 CB VAL A 49 27.645 10.104 -1.319 1.00 15.24 C ATOM 375 CG1 VAL A 49 26.702 10.217 -0.134 1.00 17.67 C ATOM 376 CG2 VAL A 49 28.192 8.679 -1.426 1.00 18.73 C ATOM 377 HA VAL A 49 26.198 9.670 -2.830 1.00 0.00 H ATOM 378 HB VAL A 49 28.465 10.804 -1.159 1.00 0.00 H ATOM 379 HG11 VAL A 49 26.331 11.240 -0.063 1.00 0.00 H ATOM 380 HG12 VAL A 49 25.864 9.534 -0.272 1.00 0.00 H ATOM 381 HG13 VAL A 49 27.237 9.958 0.780 1.00 0.00 H ATOM 382 HG21 VAL A 49 27.368 7.987 -1.596 1.00 0.00 H ATOM 383 HG22 VAL A 49 28.894 8.622 -2.258 1.00 0.00 H ATOM 384 HG23 VAL A 49 28.703 8.417 -0.500 1.00 0.00 H ATOM 385 H VAL A 49 28.844 10.339 -3.633 1.00 0.00 H ATOM 386 N LYS A 50 26.826 12.904 -2.728 1.00 14.79 N ATOM 387 CA LYS A 50 26.112 14.160 -2.596 1.00 15.46 C ATOM 388 C LYS A 50 25.064 14.343 -3.702 1.00 14.10 C ATOM 389 O LYS A 50 24.032 14.940 -3.441 1.00 13.90 O ATOM 390 CB LYS A 50 27.038 15.370 -2.438 1.00 18.67 C ATOM 391 CG LYS A 50 28.006 15.646 -3.518 1.00 23.95 C ATOM 392 CD LYS A 50 28.705 16.984 -3.174 1.00 29.46 C ATOM 393 CE LYS A 50 29.987 17.234 -3.954 1.00 33.57 C ATOM 394 NZ LYS A 50 30.919 18.091 -3.139 1.00 35.35 N ATOM 395 HA LYS A 50 25.563 14.102 -1.656 1.00 0.00 H ATOM 396 HB2 LYS A 50 26.405 16.252 -2.336 1.00 0.00 H ATOM 397 HB3 LYS A 50 27.608 15.225 -1.520 1.00 0.00 H ATOM 398 HG2 LYS A 50 28.742 14.844 -3.575 1.00 0.00 H ATOM 399 HG3 LYS A 50 27.487 15.730 -4.473 1.00 0.00 H ATOM 400 HD2 LYS A 50 28.011 17.797 -3.386 1.00 0.00 H ATOM 401 HD3 LYS A 50 28.946 16.981 -2.111 1.00 0.00 H ATOM 402 HE2 LYS A 50 29.750 17.743 -4.888 1.00 0.00 H ATOM 403 HE3 LYS A 50 30.469 16.281 -4.174 1.00 0.00 H ATOM 404 HZ1 LYS A 50 30.459 19.000 -2.931 1.00 0.00 H ATOM 405 HZ2 LYS A 50 31.146 17.604 -2.249 1.00 0.00 H ATOM 406 HZ3 LYS A 50 31.793 18.259 -3.677 1.00 0.00 H ATOM 407 H LYS A 50 27.836 12.888 -2.975 1.00 0.00 H ATOM 408 N GLU A 51 25.294 13.811 -4.904 1.00 13.29 N ATOM 409 CA GLU A 51 24.255 13.826 -5.935 1.00 13.65 C ATOM 410 C GLU A 51 23.048 12.994 -5.539 1.00 12.46 C ATOM 411 O GLU A 51 21.908 13.415 -5.728 1.00 11.95 O ATOM 412 CB GLU A 51 24.798 13.325 -7.265 1.00 14.78 C ATOM 413 CG GLU A 51 25.611 14.382 -8.006 1.00 18.89 C ATOM 414 CD GLU A 51 26.489 13.826 -9.122 1.00 23.74 C ATOM 415 OE1 GLU A 51 26.535 12.597 -9.365 1.00 20.25 O ATOM 416 OE2 GLU A 51 27.182 14.661 -9.766 1.00 28.05 O ATOM 417 HA GLU A 51 23.937 14.863 -6.041 1.00 0.00 H ATOM 418 HB2 GLU A 51 25.436 12.462 -7.078 1.00 0.00 H ATOM 419 HB3 GLU A 51 23.959 13.026 -7.894 1.00 0.00 H ATOM 420 HG2 GLU A 51 24.919 15.103 -8.442 1.00 0.00 H ATOM 421 HG3 GLU A 51 26.253 14.887 -7.285 1.00 0.00 H ATOM 422 H GLU A 51 26.219 13.382 -5.110 1.00 0.00 H ATOM 423 N VAL A 52 23.289 11.802 -4.981 1.00 12.40 N ATOM 424 CA VAL A 52 22.184 10.999 -4.483 1.00 12.10 C ATOM 425 C VAL A 52 21.365 11.781 -3.441 1.00 11.45 C ATOM 426 O VAL A 52 20.133 11.808 -3.504 1.00 11.41 O ATOM 427 CB VAL A 52 22.671 9.656 -3.911 1.00 11.81 C ATOM 428 CG1 VAL A 52 21.516 8.898 -3.236 1.00 13.05 C ATOM 429 CG2 VAL A 52 23.313 8.795 -5.026 1.00 13.31 C ATOM 430 HA VAL A 52 21.533 10.774 -5.328 1.00 0.00 H ATOM 431 HB VAL A 52 23.428 9.861 -3.154 1.00 0.00 H ATOM 432 HG11 VAL A 52 21.113 9.501 -2.422 1.00 0.00 H ATOM 433 HG12 VAL A 52 20.733 8.705 -3.969 1.00 0.00 H ATOM 434 HG13 VAL A 52 21.886 7.952 -2.840 1.00 0.00 H ATOM 435 HG21 VAL A 52 22.575 8.603 -5.805 1.00 0.00 H ATOM 436 HG22 VAL A 52 24.163 9.329 -5.452 1.00 0.00 H ATOM 437 HG23 VAL A 52 23.652 7.849 -4.603 1.00 0.00 H ATOM 438 H VAL A 52 24.265 11.451 -4.904 1.00 0.00 H ATOM 439 N MET A 53 22.034 12.403 -2.471 1.00 11.25 N ATOM 440 CA MET A 53 21.329 13.187 -1.474 1.00 11.62 C ATOM 441 C MET A 53 20.567 14.352 -2.081 1.00 10.83 C ATOM 442 O MET A 53 19.419 14.606 -1.684 1.00 10.63 O ATOM 443 CB MET A 53 22.301 13.697 -0.418 1.00 12.83 C ATOM 444 CG MET A 53 22.957 12.579 0.374 1.00 16.51 C ATOM 445 SD MET A 53 21.820 11.618 1.342 1.00 22.93 S ATOM 446 CE MET A 53 21.016 12.849 2.378 1.00 24.46 C ATOM 447 HA MET A 53 20.597 12.526 -1.011 1.00 0.00 H ATOM 448 HB2 MET A 53 23.080 14.276 -0.914 1.00 0.00 H ATOM 449 HB3 MET A 53 21.757 14.340 0.274 1.00 0.00 H ATOM 450 HG2 MET A 53 23.692 13.021 1.047 1.00 0.00 H ATOM 451 HG3 MET A 53 23.461 11.912 -0.326 1.00 0.00 H ATOM 452 HE1 MET A 53 21.765 13.351 2.991 1.00 0.00 H ATOM 453 HE2 MET A 53 20.512 13.580 1.746 1.00 0.00 H ATOM 454 HE3 MET A 53 20.286 12.359 3.023 1.00 0.00 H ATOM 455 H MET A 53 23.070 12.326 -2.428 1.00 0.00 H ATOM 456 N HIS A 54 21.154 15.003 -3.080 1.00 10.94 N ATOM 457 CA HIS A 54 20.477 16.099 -3.750 1.00 10.63 C ATOM 458 C HIS A 54 19.180 15.632 -4.397 1.00 10.49 C ATOM 459 O HIS A 54 18.125 16.233 -4.215 1.00 11.10 O ATOM 460 CB HIS A 54 21.409 16.732 -4.778 1.00 12.17 C ATOM 461 CG HIS A 54 20.716 17.662 -5.706 1.00 12.01 C ATOM 462 ND1 HIS A 54 20.330 18.929 -5.321 1.00 14.10 N ATOM 463 CD2 HIS A 54 20.296 17.499 -6.978 1.00 12.96 C ATOM 464 CE1 HIS A 54 19.708 19.513 -6.333 1.00 14.03 C ATOM 465 NE2 HIS A 54 19.689 18.676 -7.351 1.00 14.45 N ATOM 466 HA HIS A 54 20.214 16.852 -3.007 1.00 0.00 H ATOM 467 HB2 HIS A 54 22.184 17.286 -4.248 1.00 0.00 H ATOM 468 HB3 HIS A 54 21.869 15.937 -5.364 1.00 0.00 H ATOM 469 HD2 HIS A 54 20.415 16.606 -7.592 1.00 0.00 H ATOM 470 HE1 HIS A 54 19.283 20.517 -6.326 1.00 0.00 H ATOM 471 H HIS A 54 22.108 14.724 -3.385 1.00 0.00 H ATOM 472 N TYR A 55 19.254 14.544 -5.150 1.00 10.11 N ATOM 473 CA TYR A 55 18.056 14.093 -5.860 1.00 10.79 C ATOM 474 C TYR A 55 16.999 13.514 -4.918 1.00 10.00 C ATOM 475 O TYR A 55 15.808 13.618 -5.205 1.00 11.31 O ATOM 476 CB TYR A 55 18.399 13.104 -6.966 1.00 11.31 C ATOM 477 CG TYR A 55 19.009 13.787 -8.170 1.00 12.04 C ATOM 478 CD1 TYR A 55 18.247 14.647 -8.970 1.00 13.33 C ATOM 479 CD2 TYR A 55 20.347 13.566 -8.513 1.00 13.57 C ATOM 480 CE1 TYR A 55 18.815 15.283 -10.081 1.00 14.57 C ATOM 481 CE2 TYR A 55 20.908 14.201 -9.645 1.00 15.93 C ATOM 482 CZ TYR A 55 20.122 15.047 -10.399 1.00 14.49 C ATOM 483 OH TYR A 55 20.686 15.674 -11.517 1.00 18.53 O ATOM 484 HA TYR A 55 17.622 14.980 -6.321 1.00 0.00 H ATOM 485 HB3 TYR A 55 17.488 12.592 -7.276 1.00 0.00 H ATOM 486 HB2 TYR A 55 19.110 12.374 -6.578 1.00 0.00 H ATOM 487 HD2 TYR A 55 20.960 12.901 -7.905 1.00 0.00 H ATOM 488 HE2 TYR A 55 21.948 14.024 -9.918 1.00 0.00 H ATOM 489 HE1 TYR A 55 18.217 15.963 -10.688 1.00 0.00 H ATOM 490 HD1 TYR A 55 17.200 14.824 -8.725 1.00 0.00 H ATOM 491 HH TYR A 55 20.005 16.245 -11.952 1.00 0.00 H ATOM 492 H TYR A 55 20.148 14.020 -5.235 1.00 0.00 H ATOM 493 N LEU A 56 17.391 12.923 -3.768 1.00 10.57 N ATOM 494 CA LEU A 56 16.388 12.570 -2.748 1.00 10.58 C ATOM 495 C LEU A 56 15.643 13.785 -2.253 1.00 10.05 C ATOM 496 O LEU A 56 14.432 13.747 -2.071 1.00 11.05 O ATOM 497 CB LEU A 56 17.035 11.786 -1.599 1.00 11.10 C ATOM 498 CG LEU A 56 17.401 10.343 -1.967 1.00 11.51 C ATOM 499 CD1 LEU A 56 18.331 9.785 -0.879 1.00 14.57 C ATOM 500 CD2 LEU A 56 16.129 9.479 -2.087 1.00 15.20 C ATOM 501 HA LEU A 56 15.648 11.921 -3.216 1.00 0.00 H ATOM 502 HB2 LEU A 56 17.944 12.306 -1.297 1.00 0.00 H ATOM 503 HB3 LEU A 56 16.337 11.762 -0.762 1.00 0.00 H ATOM 504 HG LEU A 56 17.908 10.324 -2.931 1.00 0.00 H ATOM 505 HD21 LEU A 56 15.600 9.479 -1.134 1.00 0.00 H ATOM 506 HD22 LEU A 56 15.483 9.891 -2.863 1.00 0.00 H ATOM 507 HD23 LEU A 56 16.408 8.458 -2.349 1.00 0.00 H ATOM 508 HD11 LEU A 56 19.232 10.396 -0.824 1.00 0.00 H ATOM 509 HD12 LEU A 56 17.817 9.806 0.082 1.00 0.00 H ATOM 510 HD13 LEU A 56 18.601 8.758 -1.125 1.00 0.00 H ATOM 511 H LEU A 56 18.397 12.718 -3.603 1.00 0.00 H ATOM 512 N GLY A 57 16.348 14.897 -2.018 1.00 10.22 N ATOM 513 CA GLY A 57 15.676 16.136 -1.634 1.00 11.06 C ATOM 514 C GLY A 57 14.740 16.637 -2.729 1.00 10.35 C ATOM 515 O GLY A 57 13.633 17.070 -2.443 1.00 11.31 O ATOM 516 HA3 GLY A 57 16.429 16.899 -1.437 1.00 0.00 H ATOM 517 HA2 GLY A 57 15.096 15.957 -0.729 1.00 0.00 H ATOM 518 H GLY A 57 17.384 14.879 -2.109 1.00 0.00 H ATOM 519 N GLN A 58 15.192 16.559 -3.982 1.00 10.62 N ATOM 520 CA GLN A 58 14.339 16.952 -5.111 1.00 11.15 C ATOM 521 C GLN A 58 13.063 16.123 -5.133 1.00 10.46 C ATOM 522 O GLN A 58 11.965 16.647 -5.340 1.00 11.69 O ATOM 523 CB GLN A 58 15.081 16.846 -6.449 1.00 11.10 C ATOM 524 CG GLN A 58 16.318 17.738 -6.556 1.00 11.84 C ATOM 525 CD GLN A 58 15.967 19.202 -6.683 1.00 12.94 C ATOM 526 OE1 GLN A 58 15.477 19.646 -7.732 1.00 12.62 O ATOM 527 NE2 GLN A 58 16.190 19.963 -5.621 1.00 13.32 N ATOM 528 HA GLN A 58 14.070 17.999 -4.971 1.00 0.00 H ATOM 529 HB2 GLN A 58 15.394 15.811 -6.585 1.00 0.00 H ATOM 530 HB3 GLN A 58 14.390 17.123 -7.245 1.00 0.00 H ATOM 531 HG2 GLN A 58 16.927 17.601 -5.662 1.00 0.00 H ATOM 532 HG3 GLN A 58 16.891 17.438 -7.434 1.00 0.00 H ATOM 533 HE22 GLN A 58 16.603 19.548 -4.761 1.00 0.00 H ATOM 534 HE21 GLN A 58 15.952 20.975 -5.647 1.00 0.00 H ATOM 535 H GLN A 58 16.158 16.217 -4.161 1.00 0.00 H ATOM 536 N TYR A 59 13.206 14.811 -4.911 1.00 10.86 N ATOM 537 CA TYR A 59 12.060 13.906 -4.924 1.00 11.22 C ATOM 538 C TYR A 59 11.070 14.251 -3.842 1.00 11.69 C ATOM 539 O TYR A 59 9.850 14.288 -4.082 1.00 12.56 O ATOM 540 CB TYR A 59 12.576 12.492 -4.733 1.00 11.81 C ATOM 541 CG TYR A 59 11.518 11.416 -4.695 1.00 12.84 C ATOM 542 CD1 TYR A 59 11.021 10.869 -5.874 1.00 14.22 C ATOM 543 CD2 TYR A 59 11.053 10.902 -3.496 1.00 13.29 C ATOM 544 CE1 TYR A 59 10.084 9.834 -5.852 1.00 14.59 C ATOM 545 CE2 TYR A 59 10.108 9.866 -3.466 1.00 14.69 C ATOM 546 CZ TYR A 59 9.664 9.335 -4.648 1.00 14.71 C ATOM 547 OH TYR A 59 8.705 8.320 -4.628 1.00 16.53 O ATOM 548 HA TYR A 59 11.538 13.999 -5.876 1.00 0.00 H ATOM 549 HB3 TYR A 59 13.124 12.458 -3.792 1.00 0.00 H ATOM 550 HB2 TYR A 59 13.255 12.268 -5.556 1.00 0.00 H ATOM 551 HD2 TYR A 59 11.429 11.310 -2.558 1.00 0.00 H ATOM 552 HE2 TYR A 59 9.732 9.489 -2.515 1.00 0.00 H ATOM 553 HE1 TYR A 59 9.691 9.427 -6.784 1.00 0.00 H ATOM 554 HD1 TYR A 59 11.369 11.255 -6.832 1.00 0.00 H ATOM 555 HH TYR A 59 7.884 8.652 -4.185 1.00 0.00 H ATOM 556 H TYR A 59 14.155 14.427 -4.725 1.00 0.00 H ATOM 557 N ILE A 60 11.561 14.505 -2.623 1.00 11.41 N ATOM 558 CA ILE A 60 10.694 14.881 -1.508 1.00 11.74 C ATOM 559 C ILE A 60 9.921 16.153 -1.836 1.00 12.39 C ATOM 560 O ILE A 60 8.733 16.271 -1.480 1.00 13.45 O ATOM 561 CB ILE A 60 11.514 15.004 -0.198 1.00 11.29 C ATOM 562 CG1 ILE A 60 11.935 13.612 0.235 1.00 11.51 C ATOM 563 CG2 ILE A 60 10.734 15.737 0.872 1.00 12.35 C ATOM 564 CD1 ILE A 60 13.098 13.613 1.212 1.00 12.34 C ATOM 565 HA ILE A 60 9.957 14.094 -1.348 1.00 0.00 H ATOM 566 HB ILE A 60 12.409 15.602 -0.370 1.00 0.00 H ATOM 567 HG12 ILE A 60 11.084 13.125 0.710 1.00 0.00 H ATOM 568 HG13 ILE A 60 12.227 13.047 -0.650 1.00 0.00 H ATOM 569 HD11 ILE A 60 13.962 14.088 0.746 1.00 0.00 H ATOM 570 HD12 ILE A 60 12.817 14.166 2.109 1.00 0.00 H ATOM 571 HD13 ILE A 60 13.347 12.586 1.480 1.00 0.00 H ATOM 572 HG21 ILE A 60 10.490 16.739 0.520 1.00 0.00 H ATOM 573 HG22 ILE A 60 9.815 15.192 1.087 1.00 0.00 H ATOM 574 HG23 ILE A 60 11.338 15.806 1.777 1.00 0.00 H ATOM 575 H ILE A 60 12.586 14.433 -2.465 1.00 0.00 H ATOM 576 N MET A 61 10.563 17.114 -2.483 1.00 12.68 N ATOM 577 CA MET A 61 9.859 18.342 -2.909 1.00 13.87 C ATOM 578 C MET A 61 8.837 18.108 -4.037 1.00 15.30 C ATOM 579 O MET A 61 7.707 18.604 -3.925 1.00 16.92 O ATOM 580 CB MET A 61 10.852 19.436 -3.262 1.00 14.00 C ATOM 581 CG MET A 61 11.656 19.883 -2.028 1.00 14.93 C ATOM 582 SD MET A 61 12.721 21.306 -2.355 1.00 17.08 S ATOM 583 CE MET A 61 14.210 20.515 -2.941 1.00 20.60 C ATOM 584 HA MET A 61 9.270 18.674 -2.054 1.00 0.00 H ATOM 585 HB2 MET A 61 11.541 19.059 -4.018 1.00 0.00 H ATOM 586 HB3 MET A 61 10.309 20.293 -3.662 1.00 0.00 H ATOM 587 HG2 MET A 61 12.279 19.051 -1.699 1.00 0.00 H ATOM 588 HG3 MET A 61 10.957 20.147 -1.235 1.00 0.00 H ATOM 589 HE1 MET A 61 14.599 19.856 -2.165 1.00 0.00 H ATOM 590 HE2 MET A 61 13.983 19.933 -3.834 1.00 0.00 H ATOM 591 HE3 MET A 61 14.954 21.275 -3.180 1.00 0.00 H ATOM 592 H MET A 61 11.575 17.003 -2.694 1.00 0.00 H ATOM 593 N VAL A 62 9.209 17.334 -5.056 1.00 14.99 N ATOM 594 CA VAL A 62 8.282 16.990 -6.190 1.00 16.64 C ATOM 595 C VAL A 62 7.024 16.320 -5.656 1.00 16.97 C ATOM 596 O VAL A 62 5.886 16.692 -6.017 1.00 18.42 O ATOM 597 CB VAL A 62 8.980 16.063 -7.217 1.00 16.50 C ATOM 598 CG1 VAL A 62 7.958 15.407 -8.172 1.00 19.05 C ATOM 599 CG2 VAL A 62 10.042 16.830 -7.998 1.00 18.84 C ATOM 600 HA VAL A 62 8.007 17.916 -6.695 1.00 0.00 H ATOM 601 HB VAL A 62 9.472 15.263 -6.664 1.00 0.00 H ATOM 602 HG11 VAL A 62 7.252 14.812 -7.593 1.00 0.00 H ATOM 603 HG12 VAL A 62 7.421 16.184 -8.716 1.00 0.00 H ATOM 604 HG13 VAL A 62 8.483 14.764 -8.878 1.00 0.00 H ATOM 605 HG21 VAL A 62 9.573 17.658 -8.530 1.00 0.00 H ATOM 606 HG22 VAL A 62 10.790 17.218 -7.307 1.00 0.00 H ATOM 607 HG23 VAL A 62 10.520 16.160 -8.713 1.00 0.00 H ATOM 608 H VAL A 62 10.177 16.953 -5.068 1.00 0.00 H ATOM 609 N LYS A 63 7.208 15.334 -4.781 1.00 16.72 N ATOM 610 CA LYS A 63 6.085 14.535 -4.256 1.00 17.93 C ATOM 611 C LYS A 63 5.429 15.184 -3.041 1.00 18.03 C ATOM 612 O LYS A 63 4.446 14.656 -2.519 1.00 19.10 O ATOM 613 CB LYS A 63 6.516 13.113 -3.898 1.00 18.22 C ATOM 614 CG LYS A 63 7.257 12.314 -4.984 1.00 22.49 C ATOM 615 CD LYS A 63 6.363 11.675 -6.027 1.00 26.87 C ATOM 616 CE LYS A 63 5.383 10.629 -5.466 1.00 22.38 C ATOM 617 NZ LYS A 63 5.837 9.207 -5.430 1.00 22.53 N ATOM 618 HA LYS A 63 5.352 14.491 -5.062 1.00 0.00 H ATOM 619 HB2 LYS A 63 7.173 13.177 -3.030 1.00 0.00 H ATOM 620 HB3 LYS A 63 5.619 12.554 -3.633 1.00 0.00 H ATOM 621 HG2 LYS A 63 7.943 12.991 -5.494 1.00 0.00 H ATOM 622 HG3 LYS A 63 7.826 11.523 -4.495 1.00 0.00 H ATOM 623 HD2 LYS A 63 5.783 12.462 -6.509 1.00 0.00 H ATOM 624 HD3 LYS A 63 6.997 11.187 -6.768 1.00 0.00 H ATOM 625 HE2 LYS A 63 4.480 10.668 -6.075 1.00 0.00 H ATOM 626 HE3 LYS A 63 5.143 10.921 -4.444 1.00 0.00 H ATOM 627 HZ1 LYS A 63 6.055 8.889 -6.396 1.00 0.00 H ATOM 628 HZ2 LYS A 63 6.689 9.131 -4.838 1.00 0.00 H ATOM 629 HZ3 LYS A 63 5.082 8.613 -5.031 1.00 0.00 H ATOM 630 H LYS A 63 8.173 15.121 -4.458 1.00 0.00 H ATOM 631 N GLN A 64 5.964 16.318 -2.603 1.00 17.38 N ATOM 632 CA GLN A 64 5.403 17.078 -1.488 1.00 17.69 C ATOM 633 C GLN A 64 5.256 16.214 -0.239 1.00 17.25 C ATOM 634 O GLN A 64 4.197 16.142 0.397 1.00 17.72 O ATOM 635 CB GLN A 64 4.104 17.792 -1.922 1.00 19.57 C ATOM 636 CG GLN A 64 4.375 18.881 -2.931 1.00 22.65 C ATOM 637 CD GLN A 64 4.954 20.130 -2.285 1.00 28.38 C ATOM 638 OE1 GLN A 64 4.211 20.908 -1.676 1.00 33.63 O ATOM 639 NE2 GLN A 64 6.280 20.331 -2.397 1.00 30.27 N ATOM 640 HA GLN A 64 6.101 17.865 -1.204 1.00 0.00 H ATOM 641 HB2 GLN A 64 3.429 17.060 -2.365 1.00 0.00 H ATOM 642 HB3 GLN A 64 3.633 18.233 -1.044 1.00 0.00 H ATOM 643 HG2 GLN A 64 5.083 18.507 -3.670 1.00 0.00 H ATOM 644 HG3 GLN A 64 3.440 19.143 -3.426 1.00 0.00 H ATOM 645 HE22 GLN A 64 6.867 19.650 -2.919 1.00 0.00 H ATOM 646 HE21 GLN A 64 6.718 21.168 -1.961 1.00 0.00 H ATOM 647 H GLN A 64 6.818 16.680 -3.073 1.00 0.00 H ATOM 648 N LEU A 65 6.352 15.541 0.123 1.00 15.27 N ATOM 649 CA LEU A 65 6.347 14.614 1.253 1.00 14.40 C ATOM 650 C LEU A 65 6.661 15.270 2.581 1.00 13.38 C ATOM 651 O LEU A 65 6.382 14.668 3.622 1.00 14.87 O ATOM 652 CB LEU A 65 7.290 13.425 1.014 1.00 14.91 C ATOM 653 CG LEU A 65 6.986 12.589 -0.212 1.00 14.73 C ATOM 654 CD1 LEU A 65 8.023 11.500 -0.366 1.00 18.64 C ATOM 655 CD2 LEU A 65 5.561 11.935 -0.101 1.00 17.35 C ATOM 656 HA LEU A 65 5.322 14.249 1.317 1.00 0.00 H ATOM 657 HB2 LEU A 65 8.303 13.814 0.913 1.00 0.00 H ATOM 658 HB3 LEU A 65 7.238 12.774 1.886 1.00 0.00 H ATOM 659 HG LEU A 65 7.008 13.244 -1.083 1.00 0.00 H ATOM 660 HD21 LEU A 65 5.524 11.295 0.780 1.00 0.00 H ATOM 661 HD22 LEU A 65 4.809 12.719 -0.014 1.00 0.00 H ATOM 662 HD23 LEU A 65 5.365 11.340 -0.993 1.00 0.00 H ATOM 663 HD11 LEU A 65 9.009 11.952 -0.475 1.00 0.00 H ATOM 664 HD12 LEU A 65 8.010 10.861 0.517 1.00 0.00 H ATOM 665 HD13 LEU A 65 7.795 10.905 -1.250 1.00 0.00 H ATOM 666 H LEU A 65 7.232 15.680 -0.413 1.00 0.00 H ATOM 667 N TYR A 66 7.239 16.478 2.577 1.00 13.51 N ATOM 668 CA TYR A 66 7.512 17.151 3.852 1.00 13.56 C ATOM 669 C TYR A 66 6.247 17.845 4.344 1.00 14.07 C ATOM 670 O TYR A 66 5.387 18.222 3.536 1.00 14.64 O ATOM 671 CB TYR A 66 8.713 18.113 3.743 1.00 13.06 C ATOM 672 CG TYR A 66 8.488 19.316 2.875 1.00 14.10 C ATOM 673 CD1 TYR A 66 7.976 20.498 3.413 1.00 15.59 C ATOM 674 CD2 TYR A 66 8.816 19.286 1.522 1.00 15.28 C ATOM 675 CE1 TYR A 66 7.789 21.612 2.632 1.00 17.82 C ATOM 676 CE2 TYR A 66 8.635 20.409 0.732 1.00 19.26 C ATOM 677 CZ TYR A 66 8.112 21.552 1.295 1.00 17.64 C ATOM 678 OH TYR A 66 7.940 22.656 0.483 1.00 22.44 O ATOM 679 HA TYR A 66 7.797 16.405 4.594 1.00 0.00 H ATOM 680 HB3 TYR A 66 9.557 17.556 3.336 1.00 0.00 H ATOM 681 HB2 TYR A 66 8.959 18.461 4.746 1.00 0.00 H ATOM 682 HD2 TYR A 66 9.218 18.373 1.082 1.00 0.00 H ATOM 683 HE2 TYR A 66 8.904 20.389 -0.324 1.00 0.00 H ATOM 684 HE1 TYR A 66 7.391 22.530 3.064 1.00 0.00 H ATOM 685 HD1 TYR A 66 7.720 20.537 4.472 1.00 0.00 H ATOM 686 HH TYR A 66 7.322 22.427 -0.256 1.00 0.00 H ATOM 687 H TYR A 66 7.492 16.935 1.678 1.00 0.00 H ATOM 688 N ASP A 67 6.150 18.048 5.649 1.00 13.49 N ATOM 689 CA ASP A 67 5.007 18.755 6.213 1.00 14.47 C ATOM 690 C ASP A 67 5.233 20.256 6.001 1.00 14.65 C ATOM 691 O ASP A 67 6.170 20.846 6.540 1.00 15.31 O ATOM 692 CB ASP A 67 4.935 18.390 7.700 1.00 14.57 C ATOM 693 CG ASP A 67 3.713 18.990 8.416 1.00 16.69 C ATOM 694 OD1 ASP A 67 3.067 19.911 7.887 1.00 17.31 O ATOM 695 OD2 ASP A 67 3.477 18.536 9.550 1.00 15.70 O ATOM 696 HA ASP A 67 4.064 18.482 5.739 1.00 0.00 H ATOM 697 HB2 ASP A 67 4.889 17.305 7.788 1.00 0.00 H ATOM 698 HB3 ASP A 67 5.837 18.755 8.190 1.00 0.00 H ATOM 699 H ASP A 67 6.899 17.698 6.280 1.00 0.00 H ATOM 700 N GLN A 68 4.347 20.896 5.240 1.00 15.63 N ATOM 701 CA GLN A 68 4.435 22.315 4.994 1.00 16.94 C ATOM 702 C GLN A 68 4.462 23.131 6.283 1.00 16.97 C ATOM 703 O GLN A 68 4.988 24.239 6.295 1.00 17.15 O ATOM 704 CB GLN A 68 3.266 22.765 4.113 1.00 18.29 C ATOM 705 CG GLN A 68 3.331 22.215 2.687 1.00 24.51 C ATOM 706 CD GLN A 68 4.308 22.950 1.793 1.00 28.41 C ATOM 707 OE1 GLN A 68 4.620 24.123 2.019 1.00 32.41 O ATOM 708 NE2 GLN A 68 4.783 22.265 0.750 1.00 32.87 N ATOM 709 HA GLN A 68 5.379 22.496 4.479 1.00 0.00 H ATOM 710 HB2 GLN A 68 2.337 22.426 4.572 1.00 0.00 H ATOM 711 HB3 GLN A 68 3.270 23.854 4.064 1.00 0.00 H ATOM 712 HG2 GLN A 68 3.630 21.168 2.735 1.00 0.00 H ATOM 713 HG3 GLN A 68 2.338 22.288 2.244 1.00 0.00 H ATOM 714 HE22 GLN A 68 4.492 21.278 0.600 1.00 0.00 H ATOM 715 HE21 GLN A 68 5.444 22.718 0.088 1.00 0.00 H ATOM 716 H GLN A 68 3.568 20.357 4.810 1.00 0.00 H ATOM 717 N GLN A 69 3.882 22.592 7.364 1.00 16.45 N ATOM 718 CA GLN A 69 3.814 23.324 8.627 1.00 17.12 C ATOM 719 C GLN A 69 4.847 22.886 9.658 1.00 17.91 C ATOM 720 O GLN A 69 4.872 23.393 10.779 1.00 19.26 O ATOM 721 CB GLN A 69 2.397 23.237 9.224 1.00 17.46 C ATOM 722 CG GLN A 69 1.309 23.734 8.279 1.00 19.19 C ATOM 723 CD GLN A 69 1.608 25.081 7.639 1.00 20.72 C ATOM 724 OE1 GLN A 69 1.411 25.260 6.425 1.00 22.74 O ATOM 725 NE2 GLN A 69 2.054 26.034 8.441 1.00 21.50 N ATOM 726 HA GLN A 69 4.054 24.359 8.382 1.00 0.00 H ATOM 727 HB2 GLN A 69 2.190 22.196 9.472 1.00 0.00 H ATOM 728 HB3 GLN A 69 2.367 23.839 10.132 1.00 0.00 H ATOM 729 HG2 GLN A 69 1.183 22.998 7.485 1.00 0.00 H ATOM 730 HG3 GLN A 69 0.380 23.821 8.842 1.00 0.00 H ATOM 731 HE22 GLN A 69 2.203 25.836 9.451 1.00 0.00 H ATOM 732 HE21 GLN A 69 2.255 26.981 8.061 1.00 0.00 H ATOM 733 H GLN A 69 3.474 21.637 7.303 1.00 0.00 H ATOM 734 N GLU A 70 5.697 21.924 9.285 1.00 16.86 N ATOM 735 CA GLU A 70 6.792 21.445 10.144 1.00 16.33 C ATOM 736 C GLU A 70 7.832 20.811 9.224 1.00 14.95 C ATOM 737 O GLU A 70 7.872 19.583 9.065 1.00 9.08 O ATOM 738 CB GLU A 70 6.301 20.426 11.172 1.00 17.69 C ATOM 739 CG GLU A 70 7.303 20.144 12.249 1.00 19.84 C ATOM 740 CD GLU A 70 6.657 19.545 13.470 1.00 23.97 C ATOM 741 OE1 GLU A 70 6.078 18.446 13.347 1.00 22.19 O ATOM 742 OE2 GLU A 70 6.722 20.192 14.543 1.00 27.95 O ATOM 743 HA GLU A 70 7.214 22.276 10.709 1.00 0.00 H ATOM 744 HB2 GLU A 70 5.393 20.811 11.636 1.00 0.00 H ATOM 745 HB3 GLU A 70 6.076 19.493 10.655 1.00 0.00 H ATOM 746 HG2 GLU A 70 8.047 19.446 11.865 1.00 0.00 H ATOM 747 HG3 GLU A 70 7.792 21.077 12.530 1.00 0.00 H ATOM 748 H GLU A 70 5.579 21.495 8.345 1.00 0.00 H ATOM 749 N GLN A 71 8.635 21.681 8.597 1.00 16.06 N ATOM 750 CA GLN A 71 9.282 21.318 7.341 1.00 15.84 C ATOM 751 C GLN A 71 10.493 20.402 7.475 1.00 15.11 C ATOM 752 O GLN A 71 10.991 19.938 6.460 1.00 16.19 O ATOM 753 CB GLN A 71 9.601 22.560 6.514 1.00 16.49 C ATOM 754 CG GLN A 71 8.326 23.326 6.144 1.00 18.63 C ATOM 755 CD GLN A 71 8.439 24.238 4.934 1.00 24.23 C ATOM 756 OE1 GLN A 71 9.460 24.286 4.264 1.00 24.53 O ATOM 757 NE2 GLN A 71 7.346 24.941 4.622 1.00 26.32 N ATOM 758 HA GLN A 71 8.549 20.713 6.808 1.00 0.00 H ATOM 759 HB2 GLN A 71 10.253 23.214 7.093 1.00 0.00 H ATOM 760 HB3 GLN A 71 10.111 22.257 5.600 1.00 0.00 H ATOM 761 HG2 GLN A 71 7.542 22.596 5.943 1.00 0.00 H ATOM 762 HG3 GLN A 71 8.041 23.937 7.000 1.00 0.00 H ATOM 763 HE22 GLN A 71 6.496 24.873 5.218 1.00 0.00 H ATOM 764 HE21 GLN A 71 7.345 25.556 3.783 1.00 0.00 H ATOM 765 H GLN A 71 8.798 22.622 9.009 1.00 0.00 H ATOM 766 N HIS A 72 10.916 20.109 8.691 1.00 14.69 N ATOM 767 CA HIS A 72 11.903 19.058 8.899 1.00 15.10 C ATOM 768 C HIS A 72 11.306 17.655 8.932 1.00 14.24 C ATOM 769 O HIS A 72 12.028 16.672 8.854 1.00 16.36 O ATOM 770 CB HIS A 72 12.775 19.305 10.135 1.00 16.14 C ATOM 771 CG HIS A 72 12.023 19.226 11.416 1.00 18.03 C ATOM 772 ND1 HIS A 72 11.925 18.065 12.151 1.00 20.35 N ATOM 773 CD2 HIS A 72 11.305 20.161 12.075 1.00 21.11 C ATOM 774 CE1 HIS A 72 11.189 18.299 13.226 1.00 22.08 C ATOM 775 NE2 HIS A 72 10.803 19.562 13.201 1.00 22.37 N ATOM 776 HA HIS A 72 12.545 19.106 8.019 1.00 0.00 H ATOM 777 HB2 HIS A 72 13.568 18.557 10.153 1.00 0.00 H ATOM 778 HB3 HIS A 72 13.216 20.299 10.054 1.00 0.00 H ATOM 779 HD2 HIS A 72 11.153 21.196 11.769 1.00 0.00 H ATOM 780 HE1 HIS A 72 10.943 17.573 14.001 1.00 0.00 H ATOM 781 H HIS A 72 10.541 20.633 9.507 1.00 0.00 H ATOM 782 N MET A 73 9.969 17.538 9.035 1.00 13.21 N ATOM 783 CA MET A 73 9.336 16.228 9.072 1.00 12.93 C ATOM 784 C MET A 73 8.907 15.781 7.688 1.00 12.73 C ATOM 785 O MET A 73 8.276 16.552 6.941 1.00 14.14 O ATOM 786 CB MET A 73 8.103 16.260 10.005 1.00 14.24 C ATOM 787 CG MET A 73 8.429 16.359 11.466 1.00 17.80 C ATOM 788 SD MET A 73 9.432 14.987 12.085 1.00 18.77 S ATOM 789 CE MET A 73 8.519 13.542 11.589 1.00 22.09 C ATOM 790 HA MET A 73 10.069 15.517 9.452 1.00 0.00 H ATOM 791 HB2 MET A 73 7.493 17.121 9.733 1.00 0.00 H ATOM 792 HB3 MET A 73 7.531 15.346 9.845 1.00 0.00 H ATOM 793 HG2 MET A 73 7.494 16.382 12.026 1.00 0.00 H ATOM 794 HG3 MET A 73 8.975 17.287 11.634 1.00 0.00 H ATOM 795 HE1 MET A 73 7.528 13.567 12.041 1.00 0.00 H ATOM 796 HE2 MET A 73 8.424 13.529 10.503 1.00 0.00 H ATOM 797 HE3 MET A 73 9.048 12.648 11.920 1.00 0.00 H ATOM 798 H MET A 73 9.381 18.394 9.089 1.00 0.00 H ATOM 799 N VAL A 74 9.260 14.550 7.358 1.00 12.45 N ATOM 800 CA VAL A 74 8.926 13.950 6.072 1.00 13.50 C ATOM 801 C VAL A 74 8.015 12.759 6.369 1.00 13.73 C ATOM 802 O VAL A 74 8.336 11.920 7.222 1.00 14.98 O ATOM 803 CB VAL A 74 10.199 13.528 5.295 1.00 13.16 C ATOM 804 CG1 VAL A 74 9.830 12.868 3.965 1.00 15.48 C ATOM 805 CG2 VAL A 74 11.093 14.753 5.019 1.00 15.20 C ATOM 806 HA VAL A 74 8.417 14.667 5.428 1.00 0.00 H ATOM 807 HB VAL A 74 10.743 12.812 5.911 1.00 0.00 H ATOM 808 HG11 VAL A 74 9.224 11.982 4.156 1.00 0.00 H ATOM 809 HG12 VAL A 74 9.263 13.572 3.356 1.00 0.00 H ATOM 810 HG13 VAL A 74 10.740 12.581 3.438 1.00 0.00 H ATOM 811 HG21 VAL A 74 10.539 15.479 4.424 1.00 0.00 H ATOM 812 HG22 VAL A 74 11.389 15.206 5.965 1.00 0.00 H ATOM 813 HG23 VAL A 74 11.982 14.437 4.473 1.00 0.00 H ATOM 814 H VAL A 74 9.799 13.986 8.045 1.00 0.00 H ATOM 815 N TYR A 75 6.881 12.722 5.665 1.00 14.74 N ATOM 816 CA TYR A 75 5.883 11.647 5.796 1.00 15.50 C ATOM 817 C TYR A 75 5.872 10.864 4.498 1.00 16.94 C ATOM 818 O TYR A 75 5.405 11.355 3.466 1.00 18.91 O ATOM 819 CB TYR A 75 4.507 12.235 6.170 1.00 15.86 C ATOM 820 CG TYR A 75 4.528 12.834 7.550 1.00 14.62 C ATOM 821 CD1 TYR A 75 4.817 14.177 7.750 1.00 14.95 C ATOM 822 CD2 TYR A 75 4.304 12.046 8.689 1.00 16.11 C ATOM 823 CE1 TYR A 75 4.864 14.731 9.026 1.00 15.61 C ATOM 824 CE2 TYR A 75 4.358 12.594 9.953 1.00 16.78 C ATOM 825 CZ TYR A 75 4.630 13.928 10.122 1.00 15.15 C ATOM 826 OH TYR A 75 4.669 14.481 11.384 1.00 18.21 O ATOM 827 HA TYR A 75 6.138 10.962 6.605 1.00 0.00 H ATOM 828 HB3 TYR A 75 3.760 11.442 6.138 1.00 0.00 H ATOM 829 HB2 TYR A 75 4.243 13.010 5.450 1.00 0.00 H ATOM 830 HD2 TYR A 75 4.084 10.985 8.573 1.00 0.00 H ATOM 831 HE2 TYR A 75 4.183 11.963 10.824 1.00 0.00 H ATOM 832 HE1 TYR A 75 5.084 15.790 9.158 1.00 0.00 H ATOM 833 HD1 TYR A 75 5.012 14.813 6.887 1.00 0.00 H ATOM 834 HH TYR A 75 4.878 15.446 11.314 1.00 0.00 H ATOM 835 H TYR A 75 6.693 13.491 4.990 1.00 0.00 H ATOM 836 N CYS A 76 6.459 9.673 4.556 1.00 20.12 N ATOM 837 CA CYS A 76 6.794 8.871 3.369 1.00 21.55 C ATOM 838 C CYS A 76 6.057 7.517 3.349 1.00 22.72 C ATOM 839 O CYS A 76 6.357 6.643 2.520 1.00 22.75 O ATOM 840 CB CYS A 76 8.315 8.647 3.311 1.00 22.01 C ATOM 841 SG CYS A 76 9.028 8.062 4.847 1.00 23.47 S ATOM 842 HA CYS A 76 6.465 9.427 2.491 1.00 0.00 H ATOM 843 HB2 CYS A 76 8.791 9.593 3.051 1.00 0.00 H ATOM 844 HB3 CYS A 76 8.523 7.911 2.534 1.00 0.00 H ATOM 845 HG CYS A 76 8.452 6.856 5.190 1.00 0.00 H ATOM 846 H CYS A 76 6.695 9.287 5.492 1.00 0.00 H ATOM 847 N GLY A 77 5.099 7.358 4.265 1.00 24.41 N ATOM 848 CA GLY A 77 4.245 6.162 4.305 1.00 26.18 C ATOM 849 C GLY A 77 3.424 6.047 3.039 1.00 26.49 C ATOM 850 O GLY A 77 2.808 7.017 2.590 1.00 27.70 O ATOM 851 HA3 GLY A 77 3.574 6.230 5.162 1.00 0.00 H ATOM 852 HA2 GLY A 77 4.873 5.277 4.406 1.00 0.00 H ATOM 853 H GLY A 77 4.952 8.105 4.974 1.00 0.00 H ATOM 854 N GLY A 78 3.427 4.865 2.442 1.00 27.03 N ATOM 855 CA GLY A 78 2.721 4.656 1.187 1.00 26.77 C ATOM 856 C GLY A 78 3.426 5.206 -0.043 1.00 25.86 C ATOM 857 O GLY A 78 2.844 5.265 -1.128 1.00 27.62 O ATOM 858 HA3 GLY A 78 1.746 5.137 1.262 1.00 0.00 H ATOM 859 HA2 GLY A 78 2.586 3.583 1.049 1.00 0.00 H ATOM 860 H GLY A 78 3.942 4.073 2.877 1.00 0.00 H ATOM 861 N ASP A 79 4.676 5.638 0.142 1.00 23.54 N ATOM 862 CA ASP A 79 5.567 6.012 -0.966 1.00 21.01 C ATOM 863 C ASP A 79 6.690 4.985 -1.050 1.00 19.74 C ATOM 864 O ASP A 79 7.075 4.398 -0.038 1.00 19.87 O ATOM 865 CB ASP A 79 6.147 7.409 -0.678 1.00 20.14 C ATOM 866 CG ASP A 79 6.833 8.038 -1.894 1.00 19.25 C ATOM 867 OD1 ASP A 79 6.177 8.811 -2.621 1.00 20.71 O ATOM 868 OD2 ASP A 79 8.022 7.741 -2.147 1.00 19.00 O ATOM 869 HA ASP A 79 5.025 6.034 -1.912 1.00 0.00 H ATOM 870 HB2 ASP A 79 5.335 8.063 -0.361 1.00 0.00 H ATOM 871 HB3 ASP A 79 6.878 7.322 0.126 1.00 0.00 H ATOM 872 H ASP A 79 5.036 5.713 1.115 1.00 0.00 H ATOM 873 N LEU A 80 7.230 4.768 -2.248 1.00 19.06 N ATOM 874 CA LEU A 80 8.383 3.907 -2.407 1.00 18.69 C ATOM 875 C LEU A 80 9.546 4.286 -1.475 1.00 18.57 C ATOM 876 O LEU A 80 10.266 3.427 -0.978 1.00 18.47 O ATOM 877 CB LEU A 80 8.859 3.919 -3.862 1.00 19.07 C ATOM 878 CG LEU A 80 10.001 2.981 -4.238 1.00 20.05 C ATOM 879 CD1 LEU A 80 9.666 1.514 -3.894 1.00 21.21 C ATOM 880 CD2 LEU A 80 10.352 3.098 -5.716 1.00 19.36 C ATOM 881 HA LEU A 80 8.063 2.903 -2.130 1.00 0.00 H ATOM 882 HB2 LEU A 80 8.005 3.660 -4.487 1.00 0.00 H ATOM 883 HB3 LEU A 80 9.181 4.935 -4.092 1.00 0.00 H ATOM 884 HG LEU A 80 10.866 3.285 -3.649 1.00 0.00 H ATOM 885 HD21 LEU A 80 9.480 2.841 -6.317 1.00 0.00 H ATOM 886 HD22 LEU A 80 10.657 4.121 -5.936 1.00 0.00 H ATOM 887 HD23 LEU A 80 11.170 2.416 -5.949 1.00 0.00 H ATOM 888 HD11 LEU A 80 9.485 1.426 -2.823 1.00 0.00 H ATOM 889 HD12 LEU A 80 8.774 1.208 -4.441 1.00 0.00 H ATOM 890 HD13 LEU A 80 10.503 0.876 -4.176 1.00 0.00 H ATOM 891 H LEU A 80 6.816 5.226 -3.085 1.00 0.00 H ATOM 892 N LEU A 81 9.739 5.581 -1.255 1.00 17.67 N ATOM 893 CA LEU A 81 10.769 6.014 -0.329 1.00 17.37 C ATOM 894 C LEU A 81 10.569 5.449 1.076 1.00 16.93 C ATOM 895 O LEU A 81 11.521 5.037 1.723 1.00 16.03 O ATOM 896 CB LEU A 81 10.826 7.546 -0.304 1.00 17.66 C ATOM 897 CG LEU A 81 11.851 8.142 0.671 1.00 16.75 C ATOM 898 CD1 LEU A 81 13.264 7.673 0.323 1.00 17.25 C ATOM 899 CD2 LEU A 81 11.728 9.671 0.701 1.00 19.07 C ATOM 900 HA LEU A 81 11.722 5.621 -0.683 1.00 0.00 H ATOM 901 HB2 LEU A 81 11.073 7.892 -1.308 1.00 0.00 H ATOM 902 HB3 LEU A 81 9.839 7.917 -0.026 1.00 0.00 H ATOM 903 HG LEU A 81 11.640 7.782 1.678 1.00 0.00 H ATOM 904 HD21 LEU A 81 11.911 10.069 -0.297 1.00 0.00 H ATOM 905 HD22 LEU A 81 10.725 9.947 1.025 1.00 0.00 H ATOM 906 HD23 LEU A 81 12.461 10.080 1.397 1.00 0.00 H ATOM 907 HD11 LEU A 81 13.310 6.586 0.384 1.00 0.00 H ATOM 908 HD12 LEU A 81 13.512 7.992 -0.689 1.00 0.00 H ATOM 909 HD13 LEU A 81 13.973 8.108 1.027 1.00 0.00 H ATOM 910 H LEU A 81 9.152 6.285 -1.746 1.00 0.00 H ATOM 911 N GLY A 82 9.324 5.422 1.528 1.00 18.17 N ATOM 912 CA GLY A 82 9.002 4.838 2.834 1.00 18.88 C ATOM 913 C GLY A 82 9.328 3.355 2.884 1.00 20.03 C ATOM 914 O GLY A 82 9.856 2.858 3.893 1.00 20.31 O ATOM 915 HA3 GLY A 82 7.938 4.973 3.028 1.00 0.00 H ATOM 916 HA2 GLY A 82 9.578 5.353 3.603 1.00 0.00 H ATOM 917 H GLY A 82 8.561 5.822 0.946 1.00 0.00 H ATOM 918 N GLU A 83 9.044 2.653 1.789 1.00 21.16 N ATOM 919 CA GLU A 83 9.387 1.228 1.677 1.00 22.49 C ATOM 920 C GLU A 83 10.886 1.001 1.833 1.00 21.68 C ATOM 921 O GLU A 83 11.317 0.096 2.549 1.00 22.42 O ATOM 922 CB GLU A 83 8.909 0.665 0.335 1.00 23.65 C ATOM 923 CG GLU A 83 9.174 -0.819 0.123 1.00 28.97 C ATOM 924 CD GLU A 83 8.292 -1.410 -0.980 1.00 34.65 C ATOM 925 OE1 GLU A 83 7.526 -0.648 -1.617 1.00 36.78 O ATOM 926 OE2 GLU A 83 8.357 -2.644 -1.205 1.00 38.34 O ATOM 927 HA GLU A 83 8.879 0.703 2.486 1.00 0.00 H ATOM 928 HB2 GLU A 83 7.834 0.829 0.264 1.00 0.00 H ATOM 929 HB3 GLU A 83 9.413 1.215 -0.460 1.00 0.00 H ATOM 930 HG2 GLU A 83 10.220 -0.954 -0.153 1.00 0.00 H ATOM 931 HG3 GLU A 83 8.974 -1.349 1.055 1.00 0.00 H ATOM 932 H GLU A 83 8.568 3.124 0.994 1.00 0.00 H ATOM 933 N LEU A 84 11.694 1.839 1.185 1.00 20.31 N ATOM 934 CA LEU A 84 13.145 1.711 1.284 1.00 20.09 C ATOM 935 C LEU A 84 13.693 2.061 2.655 1.00 19.98 C ATOM 936 O LEU A 84 14.640 1.436 3.128 1.00 20.08 O ATOM 937 CB LEU A 84 13.850 2.559 0.223 1.00 19.85 C ATOM 938 CG LEU A 84 13.664 2.071 -1.219 1.00 19.91 C ATOM 939 CD1 LEU A 84 14.533 2.895 -2.131 1.00 22.04 C ATOM 940 CD2 LEU A 84 13.980 0.595 -1.406 1.00 23.84 C ATOM 941 HA LEU A 84 13.353 0.655 1.112 1.00 0.00 H ATOM 942 HB2 LEU A 84 13.463 3.576 0.290 1.00 0.00 H ATOM 943 HB3 LEU A 84 14.917 2.562 0.445 1.00 0.00 H ATOM 944 HG LEU A 84 12.609 2.193 -1.465 1.00 0.00 H ATOM 945 HD21 LEU A 84 15.018 0.409 -1.129 1.00 0.00 H ATOM 946 HD22 LEU A 84 13.322 0.001 -0.772 1.00 0.00 H ATOM 947 HD23 LEU A 84 13.826 0.321 -2.450 1.00 0.00 H ATOM 948 HD11 LEU A 84 14.244 3.943 -2.057 1.00 0.00 H ATOM 949 HD12 LEU A 84 15.576 2.783 -1.836 1.00 0.00 H ATOM 950 HD13 LEU A 84 14.406 2.554 -3.158 1.00 0.00 H ATOM 951 H LEU A 84 11.285 2.595 0.600 1.00 0.00 H ATOM 952 N LEU A 85 13.111 3.074 3.283 1.00 19.86 N ATOM 953 CA LEU A 85 13.545 3.484 4.613 1.00 21.26 C ATOM 954 C LEU A 85 13.046 2.560 5.713 1.00 21.93 C ATOM 955 O LEU A 85 13.629 2.543 6.804 1.00 23.43 O ATOM 956 CB LEU A 85 13.093 4.923 4.895 1.00 20.33 C ATOM 957 CG LEU A 85 13.767 6.018 4.068 1.00 19.10 C ATOM 958 CD1 LEU A 85 13.054 7.331 4.292 1.00 19.77 C ATOM 959 CD2 LEU A 85 15.234 6.172 4.415 1.00 20.58 C ATOM 960 HA LEU A 85 14.633 3.426 4.619 1.00 0.00 H ATOM 961 HB2 LEU A 85 12.021 4.977 4.708 1.00 0.00 H ATOM 962 HB3 LEU A 85 13.288 5.133 5.947 1.00 0.00 H ATOM 963 HG LEU A 85 13.704 5.727 3.019 1.00 0.00 H ATOM 964 HD21 LEU A 85 15.331 6.433 5.469 1.00 0.00 H ATOM 965 HD22 LEU A 85 15.752 5.233 4.223 1.00 0.00 H ATOM 966 HD23 LEU A 85 15.670 6.961 3.802 1.00 0.00 H ATOM 967 HD11 LEU A 85 12.012 7.234 3.986 1.00 0.00 H ATOM 968 HD12 LEU A 85 13.101 7.593 5.349 1.00 0.00 H ATOM 969 HD13 LEU A 85 13.536 8.110 3.702 1.00 0.00 H ATOM 970 H LEU A 85 12.332 3.584 2.819 1.00 0.00 H ATOM 971 N GLY A 86 11.985 1.802 5.436 1.00 22.73 N ATOM 972 CA GLY A 86 11.274 1.043 6.473 1.00 24.39 C ATOM 973 C GLY A 86 10.693 1.987 7.509 1.00 25.38 C ATOM 974 O GLY A 86 10.727 1.693 8.704 1.00 26.49 O ATOM 975 HA3 GLY A 86 11.969 0.359 6.959 1.00 0.00 H ATOM 976 HA2 GLY A 86 10.467 0.473 6.013 1.00 0.00 H ATOM 977 H GLY A 86 11.650 1.746 4.453 1.00 0.00 H ATOM 978 N ARG A 87 10.181 3.139 7.048 1.00 24.72 N ATOM 979 CA ARG A 87 9.663 4.211 7.912 1.00 24.87 C ATOM 980 C ARG A 87 8.380 4.782 7.320 1.00 24.15 C ATOM 981 O ARG A 87 8.234 4.861 6.098 1.00 23.37 O ATOM 982 CB ARG A 87 10.682 5.363 8.054 1.00 25.24 C ATOM 983 CG ARG A 87 12.014 5.031 8.728 1.00 27.50 C ATOM 984 CD ARG A 87 11.852 4.797 10.217 1.00 31.62 C ATOM 985 NE ARG A 87 11.489 6.043 10.885 1.00 33.74 N ATOM 986 CZ ARG A 87 12.294 6.747 11.678 1.00 34.17 C ATOM 987 NH1 ARG A 87 13.531 6.329 11.945 1.00 35.75 N ATOM 988 NH2 ARG A 87 11.852 7.874 12.221 1.00 33.75 N ATOM 989 HA ARG A 87 9.474 3.776 8.893 1.00 0.00 H ATOM 990 HB2 ARG A 87 10.903 5.733 7.053 1.00 0.00 H ATOM 991 HB3 ARG A 87 10.207 6.153 8.635 1.00 0.00 H ATOM 992 HG2 ARG A 87 12.425 4.130 8.272 1.00 0.00 H ATOM 993 HG3 ARG A 87 12.703 5.861 8.575 1.00 0.00 H ATOM 994 HD2 ARG A 87 12.791 4.428 10.628 1.00 0.00 H ATOM 995 HD3 ARG A 87 11.069 4.057 10.383 1.00 0.00 H ATOM 996 HE ARG A 87 10.528 6.409 10.730 1.00 0.00 H ATOM 997 HH12 ARG A 87 14.147 6.891 12.567 1.00 0.00 H ATOM 998 HH11 ARG A 87 13.880 5.441 11.532 1.00 0.00 H ATOM 999 HH22 ARG A 87 12.473 8.431 12.842 1.00 0.00 H ATOM 1000 HH21 ARG A 87 10.884 8.201 12.026 1.00 0.00 H ATOM 1001 H ARG A 87 10.149 3.282 6.018 1.00 0.00 H ATOM 1002 N GLN A 88 7.461 5.197 8.188 1.00 22.87 N ATOM 1003 CA GLN A 88 6.309 5.978 7.798 1.00 22.49 C ATOM 1004 C GLN A 88 6.619 7.472 7.827 1.00 20.60 C ATOM 1005 O GLN A 88 5.987 8.248 7.130 1.00 19.68 O ATOM 1006 CB GLN A 88 5.128 5.708 8.746 1.00 23.92 C ATOM 1007 CG GLN A 88 4.584 4.286 8.684 1.00 28.78 C ATOM 1008 CD GLN A 88 3.897 4.006 7.374 1.00 33.12 C ATOM 1009 OE1 GLN A 88 4.321 3.133 6.610 1.00 36.95 O ATOM 1010 NE2 GLN A 88 2.835 4.758 7.091 1.00 33.73 N ATOM 1011 HA GLN A 88 6.048 5.683 6.782 1.00 0.00 H ATOM 1012 HB2 GLN A 88 5.458 5.903 9.766 1.00 0.00 H ATOM 1013 HB3 GLN A 88 4.321 6.394 8.489 1.00 0.00 H ATOM 1014 HG2 GLN A 88 5.411 3.586 8.806 1.00 0.00 H ATOM 1015 HG3 GLN A 88 3.869 4.146 9.495 1.00 0.00 H ATOM 1016 HE22 GLN A 88 2.515 5.481 7.766 1.00 0.00 H ATOM 1017 HE21 GLN A 88 2.326 4.622 6.195 1.00 0.00 H ATOM 1018 H GLN A 88 7.577 4.949 9.191 1.00 0.00 H ATOM 1019 N SER A 89 7.558 7.868 8.674 1.00 19.69 N ATOM 1020 CA SER A 89 7.971 9.271 8.785 1.00 18.93 C ATOM 1021 C SER A 89 9.379 9.332 9.331 1.00 18.37 C ATOM 1022 O SER A 89 9.852 8.393 9.953 1.00 18.46 O ATOM 1023 CB SER A 89 7.035 10.052 9.711 1.00 20.20 C ATOM 1024 OG SER A 89 7.144 9.593 11.054 1.00 22.34 O ATOM 1025 HA SER A 89 7.928 9.723 7.794 1.00 0.00 H ATOM 1026 HB2 SER A 89 6.007 9.921 9.372 1.00 0.00 H ATOM 1027 HB3 SER A 89 7.297 11.109 9.673 1.00 0.00 H ATOM 1028 HG SER A 89 8.075 9.714 11.368 1.00 0.00 H ATOM 1029 H SER A 89 8.018 7.160 9.281 1.00 0.00 H ATOM 1030 N PHE A 90 10.058 10.445 9.104 1.00 15.95 N ATOM 1031 CA PHE A 90 11.379 10.681 9.717 1.00 16.58 C ATOM 1032 C PHE A 90 11.611 12.195 9.800 1.00 15.41 C ATOM 1033 O PHE A 90 10.996 12.974 9.067 1.00 14.75 O ATOM 1034 CB PHE A 90 12.528 9.978 8.960 1.00 17.17 C ATOM 1035 CG PHE A 90 12.780 10.510 7.563 1.00 17.02 C ATOM 1036 CD1 PHE A 90 13.770 11.470 7.339 1.00 18.39 C ATOM 1037 CD2 PHE A 90 12.066 10.025 6.476 1.00 17.36 C ATOM 1038 CE1 PHE A 90 13.997 11.959 6.041 1.00 19.08 C ATOM 1039 CE2 PHE A 90 12.305 10.499 5.190 1.00 18.68 C ATOM 1040 CZ PHE A 90 13.267 11.477 4.985 1.00 18.94 C ATOM 1041 HA PHE A 90 11.380 10.244 10.716 1.00 0.00 H ATOM 1042 HB2 PHE A 90 13.443 10.099 9.541 1.00 0.00 H ATOM 1043 HB3 PHE A 90 12.286 8.918 8.882 1.00 0.00 H ATOM 1044 HD2 PHE A 90 11.305 9.260 6.633 1.00 0.00 H ATOM 1045 HE2 PHE A 90 11.739 10.103 4.347 1.00 0.00 H ATOM 1046 HZ PHE A 90 13.443 11.864 3.981 1.00 0.00 H ATOM 1047 HE1 PHE A 90 14.756 12.724 5.873 1.00 0.00 H ATOM 1048 HD1 PHE A 90 14.367 11.840 8.172 1.00 0.00 H ATOM 1049 H PHE A 90 9.651 11.170 8.479 1.00 0.00 H ATOM 1050 N SER A 91 12.513 12.610 10.684 1.00 15.77 N ATOM 1051 CA SER A 91 12.993 13.984 10.753 1.00 15.77 C ATOM 1052 C SER A 91 14.285 14.140 9.958 1.00 14.77 C ATOM 1053 O SER A 91 15.234 13.356 10.116 1.00 15.93 O ATOM 1054 CB SER A 91 13.272 14.400 12.205 1.00 16.03 C ATOM 1055 OG SER A 91 13.791 15.711 12.243 1.00 18.56 O ATOM 1056 HA SER A 91 12.213 14.619 10.333 1.00 0.00 H ATOM 1057 HB2 SER A 91 13.995 13.713 12.644 1.00 0.00 H ATOM 1058 HB3 SER A 91 12.344 14.363 12.776 1.00 0.00 H ATOM 1059 HG SER A 91 13.967 15.968 13.183 1.00 0.00 H ATOM 1060 H SER A 91 12.895 11.919 11.361 1.00 0.00 H ATOM 1061 N VAL A 92 14.331 15.165 9.130 1.00 13.85 N ATOM 1062 CA VAL A 92 15.542 15.518 8.383 1.00 15.03 C ATOM 1063 C VAL A 92 16.710 15.839 9.316 1.00 14.99 C ATOM 1064 O VAL A 92 17.865 15.741 8.916 1.00 15.88 O ATOM 1065 CB VAL A 92 15.259 16.719 7.437 1.00 15.01 C ATOM 1066 CG1 VAL A 92 16.508 17.200 6.716 1.00 16.75 C ATOM 1067 CG2 VAL A 92 14.205 16.354 6.387 1.00 17.70 C ATOM 1068 HA VAL A 92 15.827 14.652 7.786 1.00 0.00 H ATOM 1069 HB VAL A 92 14.894 17.523 8.076 1.00 0.00 H ATOM 1070 HG11 VAL A 92 17.250 17.517 7.449 1.00 0.00 H ATOM 1071 HG12 VAL A 92 16.915 16.387 6.114 1.00 0.00 H ATOM 1072 HG13 VAL A 92 16.252 18.039 6.069 1.00 0.00 H ATOM 1073 HG21 VAL A 92 14.564 15.515 5.790 1.00 0.00 H ATOM 1074 HG22 VAL A 92 13.277 16.076 6.887 1.00 0.00 H ATOM 1075 HG23 VAL A 92 14.027 17.212 5.739 1.00 0.00 H ATOM 1076 H VAL A 92 13.477 15.744 9.002 1.00 0.00 H ATOM 1077 N LYS A 93 16.423 16.203 10.555 1.00 15.22 N ATOM 1078 CA LYS A 93 17.484 16.515 11.520 1.00 16.37 C ATOM 1079 C LYS A 93 18.269 15.288 11.976 1.00 16.08 C ATOM 1080 O LYS A 93 19.381 15.425 12.519 1.00 16.45 O ATOM 1081 CB LYS A 93 16.877 17.198 12.746 1.00 18.03 C ATOM 1082 CG LYS A 93 16.213 18.527 12.462 1.00 20.61 C ATOM 1083 CD LYS A 93 15.587 19.094 13.750 1.00 27.16 C ATOM 1084 CE LYS A 93 14.936 20.431 13.536 1.00 30.29 C ATOM 1085 NZ LYS A 93 14.157 20.849 14.748 1.00 34.35 N ATOM 1086 HA LYS A 93 18.185 17.174 11.007 1.00 0.00 H ATOM 1087 HB2 LYS A 93 16.130 16.529 13.173 1.00 0.00 H ATOM 1088 HB3 LYS A 93 17.673 17.363 13.472 1.00 0.00 H ATOM 1089 HG2 LYS A 93 16.957 19.228 12.084 1.00 0.00 H ATOM 1090 HG3 LYS A 93 15.433 18.388 11.713 1.00 0.00 H ATOM 1091 HD2 LYS A 93 14.835 18.393 14.111 1.00 0.00 H ATOM 1092 HD3 LYS A 93 16.370 19.203 14.500 1.00 0.00 H ATOM 1093 HE2 LYS A 93 14.261 20.367 12.683 1.00 0.00 H ATOM 1094 HE3 LYS A 93 15.707 21.175 13.333 1.00 0.00 H ATOM 1095 HZ1 LYS A 93 13.417 20.144 14.943 1.00 0.00 H ATOM 1096 HZ2 LYS A 93 14.798 20.916 15.564 1.00 0.00 H ATOM 1097 HZ3 LYS A 93 13.718 21.775 14.574 1.00 0.00 H ATOM 1098 H LYS A 93 15.428 16.269 10.850 1.00 0.00 H ATOM 1099 N ASP A 94 17.747 14.086 11.743 1.00 15.61 N ATOM 1100 CA ASP A 94 18.391 12.832 12.150 1.00 16.25 C ATOM 1101 C ASP A 94 18.738 12.003 10.908 1.00 16.16 C ATOM 1102 O ASP A 94 17.855 11.385 10.295 1.00 17.22 O ATOM 1103 CB ASP A 94 17.476 12.014 13.078 1.00 17.91 C ATOM 1104 CG ASP A 94 18.104 10.676 13.522 1.00 20.55 C ATOM 1105 OD1 ASP A 94 19.192 10.295 13.051 1.00 18.63 O ATOM 1106 OD2 ASP A 94 17.473 9.985 14.361 1.00 27.93 O ATOM 1107 HA ASP A 94 19.302 13.078 12.696 1.00 0.00 H ATOM 1108 HB2 ASP A 94 17.261 12.608 13.966 1.00 0.00 H ATOM 1109 HB3 ASP A 94 16.546 11.803 12.550 1.00 0.00 H ATOM 1110 H ASP A 94 16.835 14.033 11.246 1.00 0.00 H ATOM 1111 N PRO A 95 20.025 11.943 10.547 1.00 15.24 N ATOM 1112 CA PRO A 95 20.450 11.270 9.318 1.00 15.98 C ATOM 1113 C PRO A 95 20.455 9.751 9.371 1.00 16.84 C ATOM 1114 O PRO A 95 20.664 9.106 8.332 1.00 17.06 O ATOM 1115 CB PRO A 95 21.884 11.781 9.132 1.00 15.90 C ATOM 1116 CG PRO A 95 22.372 12.057 10.538 1.00 16.04 C ATOM 1117 CD PRO A 95 21.173 12.555 11.271 1.00 15.17 C ATOM 1118 HA PRO A 95 19.754 11.492 8.509 1.00 0.00 H ATOM 1119 HD3 PRO A 95 21.192 12.230 12.311 1.00 0.00 H ATOM 1120 HD2 PRO A 95 21.120 13.643 11.232 1.00 0.00 H ATOM 1121 HG3 PRO A 95 23.158 12.812 10.530 1.00 0.00 H ATOM 1122 HG2 PRO A 95 22.751 11.145 10.998 1.00 0.00 H ATOM 1123 HB2 PRO A 95 22.504 11.025 8.650 1.00 0.00 H ATOM 1124 HB3 PRO A 95 21.894 12.692 8.534 1.00 0.00 H ATOM 1125 N SER A 96 20.262 9.171 10.544 1.00 17.39 N ATOM 1126 CA SER A 96 20.495 7.735 10.715 1.00 18.13 C ATOM 1127 C SER A 96 19.647 6.810 9.805 1.00 18.13 C ATOM 1128 O SER A 96 20.225 5.926 9.178 1.00 18.00 O ATOM 1129 CB SER A 96 20.356 7.324 12.182 1.00 18.96 C ATOM 1130 OG SER A 96 20.574 5.929 12.304 1.00 24.27 O ATOM 1131 HA SER A 96 21.523 7.587 10.386 1.00 0.00 H ATOM 1132 HB2 SER A 96 19.354 7.568 12.535 1.00 0.00 H ATOM 1133 HB3 SER A 96 21.091 7.861 12.781 1.00 0.00 H ATOM 1134 HG SER A 96 21.485 5.709 11.984 1.00 0.00 H ATOM 1135 H SER A 96 19.942 9.740 11.353 1.00 0.00 H ATOM 1136 N PRO A 97 18.314 7.021 9.707 1.00 18.40 N ATOM 1137 CA PRO A 97 17.585 6.105 8.807 1.00 19.27 C ATOM 1138 C PRO A 97 17.968 6.269 7.354 1.00 19.17 C ATOM 1139 O PRO A 97 17.964 5.293 6.599 1.00 18.17 O ATOM 1140 CB PRO A 97 16.115 6.450 9.028 1.00 20.14 C ATOM 1141 CG PRO A 97 16.088 7.727 9.711 1.00 20.79 C ATOM 1142 CD PRO A 97 17.411 7.931 10.422 1.00 19.60 C ATOM 1143 HA PRO A 97 17.821 5.065 9.032 1.00 0.00 H ATOM 1144 HD3 PRO A 97 17.747 8.964 10.336 1.00 0.00 H ATOM 1145 HD2 PRO A 97 17.336 7.661 11.475 1.00 0.00 H ATOM 1146 HG3 PRO A 97 15.276 7.736 10.438 1.00 0.00 H ATOM 1147 HG2 PRO A 97 15.934 8.527 8.986 1.00 0.00 H ATOM 1148 HB2 PRO A 97 15.598 6.524 8.071 1.00 0.00 H ATOM 1149 HB3 PRO A 97 15.637 5.685 9.640 1.00 0.00 H ATOM 1150 N LEU A 98 18.343 7.470 6.951 1.00 17.85 N ATOM 1151 CA LEU A 98 18.794 7.700 5.597 1.00 17.39 C ATOM 1152 C LEU A 98 20.108 7.007 5.314 1.00 17.22 C ATOM 1153 O LEU A 98 20.249 6.328 4.296 1.00 16.13 O ATOM 1154 CB LEU A 98 18.897 9.201 5.316 1.00 17.72 C ATOM 1155 CG LEU A 98 17.634 9.970 5.722 1.00 22.28 C ATOM 1156 CD1 LEU A 98 17.897 11.453 5.564 1.00 24.74 C ATOM 1157 CD2 LEU A 98 16.399 9.563 4.913 1.00 26.13 C ATOM 1158 HA LEU A 98 18.052 7.268 4.925 1.00 0.00 H ATOM 1159 HB2 LEU A 98 19.744 9.603 5.873 1.00 0.00 H ATOM 1160 HB3 LEU A 98 19.065 9.345 4.249 1.00 0.00 H ATOM 1161 HG LEU A 98 17.413 9.725 6.761 1.00 0.00 H ATOM 1162 HD21 LEU A 98 16.579 9.756 3.855 1.00 0.00 H ATOM 1163 HD22 LEU A 98 16.203 8.501 5.061 1.00 0.00 H ATOM 1164 HD23 LEU A 98 15.539 10.143 5.248 1.00 0.00 H ATOM 1165 HD11 LEU A 98 18.730 11.743 6.204 1.00 0.00 H ATOM 1166 HD12 LEU A 98 18.144 11.668 4.524 1.00 0.00 H ATOM 1167 HD13 LEU A 98 17.006 12.011 5.850 1.00 0.00 H ATOM 1168 H LEU A 98 18.313 8.265 7.621 1.00 0.00 H ATOM 1169 N TYR A 99 21.075 7.141 6.224 1.00 16.42 N ATOM 1170 CA TYR A 99 22.347 6.449 6.086 1.00 17.15 C ATOM 1171 C TYR A 99 22.162 4.931 6.031 1.00 17.12 C ATOM 1172 O TYR A 99 22.789 4.259 5.198 1.00 17.62 O ATOM 1173 CB TYR A 99 23.286 6.824 7.236 1.00 17.10 C ATOM 1174 CG TYR A 99 24.610 6.090 7.184 1.00 19.12 C ATOM 1175 CD1 TYR A 99 25.503 6.323 6.150 1.00 23.73 C ATOM 1176 CD2 TYR A 99 24.968 5.188 8.177 1.00 21.59 C ATOM 1177 CE1 TYR A 99 26.729 5.666 6.092 1.00 26.25 C ATOM 1178 CE2 TYR A 99 26.203 4.538 8.139 1.00 24.35 C ATOM 1179 CZ TYR A 99 27.063 4.777 7.088 1.00 25.43 C ATOM 1180 OH TYR A 99 28.281 4.142 7.014 1.00 28.05 O ATOM 1181 HA TYR A 99 22.792 6.765 5.143 1.00 0.00 H ATOM 1182 HB3 TYR A 99 22.793 6.586 8.179 1.00 0.00 H ATOM 1183 HB2 TYR A 99 23.481 7.895 7.190 1.00 0.00 H ATOM 1184 HD2 TYR A 99 24.277 4.985 8.995 1.00 0.00 H ATOM 1185 HE2 TYR A 99 26.485 3.847 8.934 1.00 0.00 H ATOM 1186 HE1 TYR A 99 27.416 5.854 5.267 1.00 0.00 H ATOM 1187 HD1 TYR A 99 25.240 7.034 5.367 1.00 0.00 H ATOM 1188 HH TYR A 99 28.820 4.371 7.812 1.00 0.00 H ATOM 1189 H TYR A 99 20.916 7.753 7.049 1.00 0.00 H ATOM 1190 N ASP A 100 21.312 4.400 6.896 1.00 17.58 N ATOM 1191 CA ASP A 100 21.067 2.957 6.893 1.00 19.43 C ATOM 1192 C ASP A 100 20.561 2.509 5.518 1.00 18.84 C ATOM 1193 O ASP A 100 21.036 1.501 4.978 1.00 19.84 O ATOM 1194 CB ASP A 100 20.099 2.565 7.994 1.00 20.15 C ATOM 1195 CG ASP A 100 20.689 2.739 9.385 1.00 23.95 C ATOM 1196 OD1 ASP A 100 21.905 3.010 9.507 1.00 28.50 O ATOM 1197 OD2 ASP A 100 19.901 2.615 10.350 1.00 28.14 O ATOM 1198 HA ASP A 100 22.008 2.445 7.093 1.00 0.00 H ATOM 1199 HB2 ASP A 100 19.208 3.187 7.913 1.00 0.00 H ATOM 1200 HB3 ASP A 100 19.824 1.519 7.860 1.00 0.00 H ATOM 1201 H ASP A 100 20.818 5.009 7.579 1.00 0.00 H ATOM 1202 N MET A 101 19.623 3.260 4.946 1.00 17.93 N ATOM 1203 CA MET A 101 19.062 2.930 3.634 1.00 17.21 C ATOM 1204 C MET A 101 20.144 3.024 2.573 1.00 16.56 C ATOM 1205 O MET A 101 20.264 2.131 1.708 1.00 16.49 O ATOM 1206 CB MET A 101 17.901 3.867 3.340 1.00 17.20 C ATOM 1207 CG MET A 101 17.164 3.569 2.025 1.00 17.19 C ATOM 1208 SD MET A 101 17.906 4.288 0.572 1.00 17.79 S ATOM 1209 CE MET A 101 17.403 6.006 0.752 1.00 19.69 C ATOM 1210 HA MET A 101 18.686 1.907 3.630 1.00 0.00 H ATOM 1211 HB2 MET A 101 17.185 3.790 4.158 1.00 0.00 H ATOM 1212 HB3 MET A 101 18.288 4.885 3.292 1.00 0.00 H ATOM 1213 HG2 MET A 101 16.147 3.952 2.112 1.00 0.00 H ATOM 1214 HG3 MET A 101 17.133 2.488 1.891 1.00 0.00 H ATOM 1215 HE1 MET A 101 16.315 6.065 0.762 1.00 0.00 H ATOM 1216 HE2 MET A 101 17.799 6.403 1.687 1.00 0.00 H ATOM 1217 HE3 MET A 101 17.792 6.587 -0.084 1.00 0.00 H ATOM 1218 H MET A 101 19.279 4.105 5.445 1.00 0.00 H ATOM 1219 N LEU A 102 20.966 4.068 2.595 1.00 16.21 N ATOM 1220 CA LEU A 102 22.021 4.212 1.599 1.00 17.14 C ATOM 1221 C LEU A 102 23.047 3.092 1.652 1.00 17.99 C ATOM 1222 O LEU A 102 23.528 2.637 0.604 1.00 17.97 O ATOM 1223 CB LEU A 102 22.704 5.577 1.720 1.00 17.65 C ATOM 1224 CG LEU A 102 21.865 6.814 1.413 1.00 20.25 C ATOM 1225 CD1 LEU A 102 22.806 8.002 1.524 1.00 22.81 C ATOM 1226 CD2 LEU A 102 21.250 6.767 0.026 1.00 19.80 C ATOM 1227 HA LEU A 102 21.535 4.144 0.626 1.00 0.00 H ATOM 1228 HB2 LEU A 102 23.064 5.672 2.744 1.00 0.00 H ATOM 1229 HB3 LEU A 102 23.553 5.580 1.036 1.00 0.00 H ATOM 1230 HG LEU A 102 21.031 6.879 2.111 1.00 0.00 H ATOM 1231 HD21 LEU A 102 22.043 6.704 -0.720 1.00 0.00 H ATOM 1232 HD22 LEU A 102 20.604 5.893 -0.054 1.00 0.00 H ATOM 1233 HD23 LEU A 102 20.664 7.671 -0.141 1.00 0.00 H ATOM 1234 HD11 LEU A 102 23.216 8.046 2.533 1.00 0.00 H ATOM 1235 HD12 LEU A 102 23.618 7.889 0.805 1.00 0.00 H ATOM 1236 HD13 LEU A 102 22.257 8.920 1.313 1.00 0.00 H ATOM 1237 H LEU A 102 20.855 4.792 3.333 1.00 0.00 H ATOM 1238 N ARG A 103 23.397 2.648 2.859 1.00 19.19 N ATOM 1239 CA ARG A 103 24.322 1.516 3.006 1.00 21.49 C ATOM 1240 C ARG A 103 23.804 0.275 2.299 1.00 21.38 C ATOM 1241 O ARG A 103 24.594 -0.488 1.730 1.00 22.72 O ATOM 1242 CB ARG A 103 24.519 1.184 4.491 1.00 22.92 C ATOM 1243 CG ARG A 103 25.511 2.054 5.189 1.00 27.10 C ATOM 1244 CD ARG A 103 25.845 1.481 6.564 1.00 34.17 C ATOM 1245 NE ARG A 103 26.445 0.146 6.502 1.00 38.10 N ATOM 1246 CZ ARG A 103 27.676 -0.123 6.060 1.00 42.03 C ATOM 1247 NH1 ARG A 103 28.471 0.848 5.607 1.00 43.11 N ATOM 1248 NH2 ARG A 103 28.113 -1.379 6.061 1.00 44.25 N ATOM 1249 HA ARG A 103 25.269 1.811 2.554 1.00 0.00 H ATOM 1250 HB2 ARG A 103 23.558 1.289 4.995 1.00 0.00 H ATOM 1251 HB3 ARG A 103 24.857 0.151 4.568 1.00 0.00 H ATOM 1252 HG2 ARG A 103 26.421 2.112 4.592 1.00 0.00 H ATOM 1253 HG3 ARG A 103 25.092 3.053 5.308 1.00 0.00 H ATOM 1254 HD2 ARG A 103 24.926 1.422 7.147 1.00 0.00 H ATOM 1255 HD3 ARG A 103 26.546 2.153 7.059 1.00 0.00 H ATOM 1256 HE ARG A 103 25.867 -0.655 6.828 1.00 0.00 H ATOM 1257 HH12 ARG A 103 29.427 0.621 5.266 1.00 0.00 H ATOM 1258 HH11 ARG A 103 28.135 1.832 5.594 1.00 0.00 H ATOM 1259 HH22 ARG A 103 29.070 -1.597 5.718 1.00 0.00 H ATOM 1260 HH21 ARG A 103 27.497 -2.144 6.404 1.00 0.00 H ATOM 1261 H ARG A 103 23.010 3.109 3.707 1.00 0.00 H ATOM 1262 N LYS A 104 22.495 0.069 2.359 1.00 20.33 N ATOM 1263 CA LYS A 104 21.856 -1.111 1.770 1.00 21.28 C ATOM 1264 C LYS A 104 21.545 -0.963 0.289 1.00 20.55 C ATOM 1265 O LYS A 104 21.343 -1.964 -0.385 1.00 22.14 O ATOM 1266 CB LYS A 104 20.565 -1.453 2.516 1.00 22.16 C ATOM 1267 CG LYS A 104 20.822 -2.047 3.891 1.00 26.59 C ATOM 1268 CD LYS A 104 19.546 -2.249 4.675 1.00 31.51 C ATOM 1269 CE LYS A 104 19.850 -2.933 6.005 1.00 35.95 C ATOM 1270 NZ LYS A 104 18.830 -2.611 7.049 1.00 39.06 N ATOM 1271 HA LYS A 104 22.583 -1.917 1.870 1.00 0.00 H ATOM 1272 HB2 LYS A 104 19.978 -0.542 2.633 1.00 0.00 H ATOM 1273 HB3 LYS A 104 20.001 -2.174 1.924 1.00 0.00 H ATOM 1274 HG2 LYS A 104 21.316 -3.011 3.770 1.00 0.00 H ATOM 1275 HG3 LYS A 104 21.473 -1.374 4.448 1.00 0.00 H ATOM 1276 HD2 LYS A 104 19.082 -1.281 4.865 1.00 0.00 H ATOM 1277 HD3 LYS A 104 18.862 -2.871 4.097 1.00 0.00 H ATOM 1278 HE2 LYS A 104 20.828 -2.603 6.355 1.00 0.00 H ATOM 1279 HE3 LYS A 104 19.866 -4.012 5.850 1.00 0.00 H ATOM 1280 HZ1 LYS A 104 18.812 -1.584 7.209 1.00 0.00 H ATOM 1281 HZ2 LYS A 104 17.894 -2.929 6.727 1.00 0.00 H ATOM 1282 HZ3 LYS A 104 19.077 -3.097 7.935 1.00 0.00 H ATOM 1283 H LYS A 104 21.900 0.771 2.842 1.00 0.00 H ATOM 1284 N ASN A 105 21.526 0.269 -0.232 1.00 18.42 N ATOM 1285 CA ASN A 105 21.005 0.521 -1.585 1.00 17.66 C ATOM 1286 C ASN A 105 21.982 1.134 -2.545 1.00 17.50 C ATOM 1287 O ASN A 105 21.622 1.398 -3.692 1.00 18.29 O ATOM 1288 CB ASN A 105 19.724 1.342 -1.505 1.00 17.38 C ATOM 1289 CG ASN A 105 18.588 0.543 -0.928 1.00 19.23 C ATOM 1290 OD1 ASN A 105 18.316 0.560 0.283 1.00 21.57 O ATOM 1291 ND2 ASN A 105 17.946 -0.232 -1.787 1.00 20.91 N ATOM 1292 HA ASN A 105 20.797 -0.463 -2.006 1.00 0.00 H ATOM 1293 HB2 ASN A 105 19.901 2.213 -0.874 1.00 0.00 H ATOM 1294 HB3 ASN A 105 19.452 1.671 -2.508 1.00 0.00 H ATOM 1295 HD22 ASN A 105 18.204 -0.217 -2.794 1.00 0.00 H ATOM 1296 HD21 ASN A 105 17.183 -0.856 -1.455 1.00 0.00 H ATOM 1297 H ASN A 105 21.887 1.065 0.331 1.00 0.00 H ATOM 1298 N LEU A 106 23.211 1.381 -2.106 1.00 17.71 N ATOM 1299 CA LEU A 106 24.248 1.928 -2.957 1.00 18.79 C ATOM 1300 C LEU A 106 25.350 0.892 -3.090 1.00 20.01 C ATOM 1301 O LEU A 106 25.752 0.280 -2.084 1.00 22.23 O ATOM 1302 CB LEU A 106 24.814 3.233 -2.387 1.00 18.44 C ATOM 1303 CG LEU A 106 23.870 4.439 -2.271 1.00 17.33 C ATOM 1304 CD1 LEU A 106 24.681 5.600 -1.641 1.00 19.70 C ATOM 1305 CD2 LEU A 106 23.293 4.809 -3.628 1.00 16.96 C ATOM 1306 HA LEU A 106 23.823 2.161 -3.933 1.00 0.00 H ATOM 1307 HB2 LEU A 106 25.186 3.015 -1.386 1.00 0.00 H ATOM 1308 HB3 LEU A 106 25.645 3.532 -3.025 1.00 0.00 H ATOM 1309 HG LEU A 106 23.014 4.205 -1.637 1.00 0.00 H ATOM 1310 HD21 LEU A 106 24.105 5.063 -4.310 1.00 0.00 H ATOM 1311 HD22 LEU A 106 22.734 3.963 -4.027 1.00 0.00 H ATOM 1312 HD23 LEU A 106 22.628 5.666 -3.517 1.00 0.00 H ATOM 1313 HD11 LEU A 106 25.040 5.299 -0.657 1.00 0.00 H ATOM 1314 HD12 LEU A 106 25.530 5.838 -2.282 1.00 0.00 H ATOM 1315 HD13 LEU A 106 24.041 6.477 -1.543 1.00 0.00 H ATOM 1316 H LEU A 106 23.438 1.174 -1.112 1.00 0.00 H ATOM 1317 N VAL A 107 25.815 0.676 -4.314 1.00 20.92 N ATOM 1318 CA VAL A 107 26.876 -0.305 -4.565 1.00 23.00 C ATOM 1319 C VAL A 107 28.124 0.450 -5.008 1.00 24.32 C ATOM 1320 O VAL A 107 28.062 1.327 -5.869 1.00 24.13 O ATOM 1321 CB VAL A 107 26.428 -1.331 -5.624 1.00 23.33 C ATOM 1322 CG1 VAL A 107 27.576 -2.274 -5.995 1.00 26.18 C ATOM 1323 CG2 VAL A 107 25.235 -2.114 -5.096 1.00 24.93 C ATOM 1324 HA VAL A 107 27.096 -0.866 -3.657 1.00 0.00 H ATOM 1325 HB VAL A 107 26.135 -0.800 -6.529 1.00 0.00 H ATOM 1326 HG11 VAL A 107 28.405 -1.693 -6.399 1.00 0.00 H ATOM 1327 HG12 VAL A 107 27.906 -2.810 -5.105 1.00 0.00 H ATOM 1328 HG13 VAL A 107 27.231 -2.987 -6.744 1.00 0.00 H ATOM 1329 HG21 VAL A 107 25.520 -2.634 -4.182 1.00 0.00 H ATOM 1330 HG22 VAL A 107 24.416 -1.427 -4.885 1.00 0.00 H ATOM 1331 HG23 VAL A 107 24.918 -2.840 -5.845 1.00 0.00 H ATOM 1332 H VAL A 107 25.419 1.213 -5.112 1.00 0.00 H ATOM 1333 N THR A 108 29.266 0.119 -4.412 1.00 27.43 N ATOM 1334 CA THR A 108 30.498 0.871 -4.668 1.00 30.49 C ATOM 1335 C THR A 108 31.592 0.054 -5.365 1.00 31.75 C ATOM 1336 O THR A 108 31.435 -0.317 -6.534 1.00 33.70 O ATOM 1337 CB THR A 108 31.036 1.519 -3.374 1.00 31.10 C ATOM 1338 OG1 THR A 108 32.181 2.324 -3.681 1.00 35.04 O ATOM 1339 CG2 THR A 108 31.393 0.458 -2.326 1.00 32.10 C ATOM 1340 HA THR A 108 30.220 1.658 -5.369 1.00 0.00 H ATOM 1341 HB THR A 108 30.253 2.149 -2.951 1.00 0.00 H ATOM 1342 HG1 THR A 108 32.524 2.738 -2.850 1.00 0.00 H ATOM 1343 HG23 THR A 108 30.511 -0.144 -2.105 1.00 0.00 H ATOM 1344 HG21 THR A 108 32.184 -0.183 -2.715 1.00 0.00 H ATOM 1345 HG22 THR A 108 31.736 0.949 -1.416 1.00 0.00 H ATOM 1346 H THR A 108 29.285 -0.686 -3.754 1.00 0.00 H TER 1347 THR A 108 HETATM 1348 O HOH 1 20.258 17.023 9.417 1.00 17.15 O HETATM 1349 O HOH 2 19.057 16.960 -13.149 1.00 18.80 O HETATM 1350 O HOH 3 23.855 17.083 -1.775 1.00 19.48 O HETATM 1351 O HOH 4 0.422 20.096 7.215 1.00 19.55 O HETATM 1352 O HOH 5 10.789 6.718 -11.776 1.00 19.38 O HETATM 1353 O HOH 6 22.901 2.155 -10.809 1.00 19.91 O HETATM 1354 O HOH 7 4.617 17.029 11.490 1.00 20.54 O HETATM 1355 O HOH 8 15.177 11.554 -15.062 1.00 20.76 O HETATM 1356 O HOH 9 29.931 13.285 -2.529 1.00 21.57 O HETATM 1357 O HOH 10 17.513 18.791 -3.206 1.00 14.73 O HETATM 1358 O HOH 11 16.777 0.165 -4.127 1.00 21.80 O HETATM 1359 O HOH 12 30.790 10.411 -3.187 1.00 23.30 O HETATM 1360 O HOH 13 20.129 19.752 -2.487 1.00 22.86 O HETATM 1361 O HOH 14 5.382 19.190 0.927 1.00 24.87 O HETATM 1362 O HOH 15 21.822 13.350 -13.141 1.00 25.08 O HETATM 1363 O HOH 16 23.205 0.217 -12.692 1.00 25.65 O HETATM 1364 O HOH 17 16.542 3.040 7.147 1.00 25.58 O HETATM 1365 O HOH 18 15.189 10.601 10.947 1.00 25.39 O HETATM 1366 O HOH 19 20.356 0.116 -13.183 1.00 26.63 O HETATM 1367 O HOH 20 3.353 13.368 2.831 1.00 26.54 O HETATM 1368 O HOH 21 22.928 5.022 11.333 1.00 27.44 O HETATM 1369 O HOH 22 16.110 -0.665 1.819 1.00 27.55 O HETATM 1370 O HOH 23 20.047 18.210 13.301 1.00 27.98 O HETATM 1371 O HOH 24 24.760 9.951 -13.681 1.00 28.88 O HETATM 1372 O HOH 25 13.608 4.889 -13.987 1.00 28.64 O HETATM 1373 O HOH 26 16.570 -2.643 -3.968 1.00 28.86 O HETATM 1374 O HOH 27 2.914 12.526 -3.480 1.00 30.06 O HETATM 1375 O HOH 28 2.304 19.330 3.831 1.00 30.66 O HETATM 1376 O HOH 29 3.194 16.257 2.756 1.00 30.79 O HETATM 1377 O HOH 30 28.989 15.676 -6.784 1.00 31.15 O HETATM 1378 O HOH 31 16.537 14.657 -16.628 1.00 32.69 O HETATM 1379 O HOH 32 29.680 3.847 9.279 1.00 33.27 O HETATM 1380 O HOH 33 3.099 16.081 -5.826 1.00 33.96 O HETATM 1381 O HOH 34 23.507 16.105 -11.206 1.00 33.88 O HETATM 1382 O HOH 35 3.779 9.663 -2.591 1.00 33.54 O HETATM 1383 O HOH 36 3.255 8.753 6.378 1.00 34.27 O HETATM 1384 O HOH 37 2.333 19.540 0.792 1.00 34.96 O HETATM 1385 O HOH 38 5.905 5.957 -4.689 1.00 34.93 O HETATM 1386 O HOH 39 3.588 9.332 1.743 1.00 34.18 O HETATM 1387 O HOH 40 8.748 24.444 9.624 1.00 35.95 O HETATM 1388 O HOH 41 25.200 17.666 -5.941 1.00 36.98 O HETATM 1389 O HOH 42 13.550 16.295 14.884 1.00 36.44 O HETATM 1390 O HOH 43 8.618 22.125 -2.265 1.00 35.94 O HETATM 1391 O HOH 44 25.991 7.128 -15.446 1.00 38.67 O HETATM 1392 O HOH 45 9.703 24.742 1.780 1.00 40.09 O HETATM 1393 O HOH 46 8.348 5.453 11.090 1.00 37.54 O HETATM 1394 O HOH 47 24.405 12.927 -12.919 1.00 39.44 O HETATM 1395 O HOH 48 11.545 -1.874 -14.054 1.00 39.40 O HETATM 1396 O HOH 49 13.181 18.690 16.208 1.00 41.40 O HETATM 1397 O HOH 50 14.913 9.238 13.392 1.00 41.55 O HETATM 1398 O HOH 51 9.801 10.051 13.042 1.00 41.06 O HETATM 1399 O HOH 52 23.542 17.491 -8.102 1.00 41.17 O HETATM 1400 O HOH 53 29.341 -2.168 -2.481 1.00 42.70 O HETATM 1401 O HOH 54 13.922 2.675 -15.511 1.00 46.16 O HETATM 1402 O HOH 55 22.201 -0.551 6.687 1.00 42.69 O HETATM 1403 O HOH 56 2.970 8.187 -4.933 1.00 46.56 O HETATM 1404 O HOH 57 26.887 4.880 2.155 1.00 49.31 O HETATM 1405 O HOH 58 27.928 11.641 -11.746 1.00 52.20 O HETATM 1406 O HOH 59 4.468 18.368 15.947 1.00 57.74 O HETATM 1407 O HOH 60 21.272 17.646 -0.895 1.00 17.58 O HETATM 1408 O HOH 61 19.499 19.579 8.964 1.00 23.42 O HETATM 1409 O HOH 62 12.315 25.153 1.355 1.00 24.18 O HETATM 1410 O HOH 63 23.797 15.655 2.681 1.00 24.14 O HETATM 1411 O HOH 64 21.617 16.949 1.676 1.00 24.67 O HETATM 1412 O HOH 65 21.482 24.575 5.932 1.00 27.37 O HETATM 1413 O HOH 66 14.413 26.573 2.971 1.00 27.80 O HETATM 1414 O HOH 67 24.148 19.525 1.207 1.00 29.60 O HETATM 1415 O HOH 68 19.603 21.815 10.470 1.00 31.31 O HETATM 1416 O HOH 69 14.379 25.827 7.874 1.00 30.80 O HETATM 1417 O HOH 70 25.264 15.584 0.561 1.00 34.49 O HETATM 1418 O HOH 71 20.021 22.592 -2.557 1.00 37.36 O HETATM 1419 O HOH 72 22.571 25.564 3.654 1.00 40.15 O HETATM 1420 O HOH 73 25.098 24.033 3.716 1.00 42.27 O HETATM 1421 O HOH 74 18.843 24.151 9.074 1.00 43.00 O HETATM 1422 O HOH 75 14.568 28.346 5.441 1.00 44.36 O HETATM 1423 O HOH 76 19.152 27.555 1.272 1.00 44.24 O HETATM 1424 O HOH 77 16.823 25.735 9.569 1.00 44.98 O HETATM 1425 O HOH 78 25.140 21.956 2.180 1.00 43.74 O HETATM 1426 C ACE A 79 12.741 24.373 5.155 1.00 0.18 C HETATM 1427 O ACE A 79 13.822 24.117 5.665 1.00 -0.40 O HETATM 1428 CH3 ACE A 79 12.072 25.692 5.476 1.00 0.03 C HETATM 1429 H1 ACE A 79 11.115 25.759 4.937 1.00 0.05 H HETATM 1430 H2 ACE A 79 12.726 26.520 5.166 1.00 0.05 H HETATM 1431 H3 ACE A 79 11.888 25.756 6.559 1.00 0.05 H HETATM 1432 N ACE A 79 12.073 23.549 4.321 1.00 -0.26 N HETATM 1433 CA ACE A 79 12.593 22.224 3.977 1.00 0.14 C HETATM 1434 C ACE A 79 14.002 22.259 3.434 1.00 0.21 C HETATM 1435 O ACE A 79 14.843 21.485 3.907 1.00 -0.39 O HETATM 1436 N ACE A 79 14.258 23.106 2.440 1.00 -0.26 N HETATM 1437 CA ACE A 79 15.596 23.108 1.837 1.00 0.13 C HETATM 1438 C ACE A 79 16.690 23.435 2.811 1.00 0.20 C HETATM 1439 O ACE A 79 17.720 22.752 2.767 1.00 -0.39 O HETATM 1440 N ACE A 79 16.502 24.426 3.691 1.00 -0.27 N HETATM 1441 CA ACE A 79 17.515 24.805 4.679 1.00 0.13 C HETATM 1442 C ACE A 79 17.857 23.563 5.478 1.00 0.23 C HETATM 1443 O ACE A 79 19.024 23.275 5.748 1.00 -0.34 O HETATM 1444 N ACE A 79 16.849 22.777 5.919 1.00 -0.26 N HETATM 1445 CA ACE A 79 17.131 21.586 6.677 1.00 0.14 C HETATM 1446 CB ACE A 79 15.829 20.966 7.252 1.00 0.02 C HETATM 1447 CG ACE A 79 15.216 21.715 8.421 1.00 -0.05 C HETATM 1448 CD1 ACE A 79 13.945 22.272 8.230 1.00 -0.07 C HETATM 1449 CE1 ACE A 79 13.310 22.953 9.287 1.00 -0.07 C HETATM 1450 CZ ACE A 79 13.957 23.040 10.526 1.00 -0.03 C HETATM 1451 CE2 ACE A 79 15.210 22.436 10.733 1.00 -0.07 C HETATM 1452 CD2 ACE A 79 15.854 21.769 9.667 1.00 -0.07 C HETATM 1453 H35 ACE A 79 16.824 21.307 9.811 1.00 0.05 H HETATM 1454 H36 ACE A 79 15.681 22.482 11.708 1.00 0.05 H HETATM 1455 CH4 ACE A 79 13.256 23.749 11.704 1.00 0.05 C HETATM 1456 P ACE A 79 13.733 25.473 11.794 1.00 0.07 P HETATM 1457 O1 ACE A 79 15.190 25.678 12.013 1.00 -0.56 O HETATM 1458 O2 ACE A 79 13.131 26.112 10.457 1.00 -0.56 O HETATM 1459 O3 ACE A 79 12.822 26.061 12.986 1.00 -0.56 O HETATM 1460 H37 ACE A 79 13.537 23.249 12.643 1.00 0.06 H HETATM 1461 H38 ACE A 79 12.167 23.684 11.566 1.00 0.06 H HETATM 1462 H34 ACE A 79 12.335 23.403 9.143 1.00 0.05 H HETATM 1463 H33 ACE A 79 13.451 22.179 7.270 1.00 0.05 H HETATM 1464 H31 ACE A 79 16.058 19.943 7.586 1.00 0.05 H HETATM 1465 H32 ACE A 79 15.084 20.929 6.444 1.00 0.05 H HETATM 1466 C ACE A 79 17.815 20.517 5.840 1.00 0.21 C HETATM 1467 O ACE A 79 18.801 19.917 6.270 1.00 -0.39 O HETATM 1468 N ACE A 79 17.306 20.250 4.616 1.00 -0.26 N HETATM 1469 CA ACE A 79 17.874 19.184 3.792 1.00 0.14 C HETATM 1470 CB ACE A 79 17.042 19.040 2.470 1.00 0.00 C HETATM 1471 CG ACE A 79 17.459 17.825 1.720 1.00 -0.04 C HETATM 1472 CD2 ACE A 79 17.032 16.457 2.067 1.00 -0.02 C HETATM 1473 CE3 ACE A 79 16.204 15.909 3.035 1.00 -0.07 C HETATM 1474 CZ3 ACE A 79 15.989 14.557 3.082 1.00 -0.07 C HETATM 1475 CH2 ACE A 79 16.683 13.761 2.158 1.00 0.03 C HETATM 1476 CZ2 ACE A 79 17.541 14.266 1.187 1.00 -0.03 C HETATM 1477 CE2 ACE A 79 17.715 15.649 1.143 1.00 0.06 C HETATM 1478 NE1 ACE A 79 18.461 16.447 0.333 1.00 -0.29 N HETATM 1479 CD1 ACE A 79 18.328 17.726 0.682 1.00 0.02 C HETATM 1480 H45 ACE A 79 18.838 18.563 0.207 1.00 0.08 H HETATM 1481 H44 ACE A 79 19.048 16.109 -0.443 1.00 0.22 H HETATM 1482 H46 ACE A 79 18.054 13.611 0.492 1.00 0.05 H HETATM 1483 CLL ACE A 79 16.428 12.061 2.209 1.00 -0.08 CL HETATM 1484 H47 ACE A 79 15.310 14.119 3.804 1.00 0.05 H HETATM 1485 H43 ACE A 79 15.723 16.556 3.760 1.00 0.05 H HETATM 1486 H41 ACE A 79 17.206 19.927 1.841 1.00 0.04 H HETATM 1487 H42 ACE A 79 15.974 18.961 2.721 1.00 0.04 H HETATM 1488 C ACE A 79 19.350 19.399 3.469 1.00 0.21 C HETATM 1489 O ACE A 79 20.145 18.443 3.519 1.00 -0.39 O HETATM 1490 N ACE A 79 19.700 20.639 3.159 1.00 -0.26 N HETATM 1491 CA ACE A 79 21.090 20.975 2.817 1.00 0.13 C HETATM 1492 C ACE A 79 21.996 20.729 4.008 1.00 0.20 C HETATM 1493 O ACE A 79 23.204 20.580 3.780 1.00 -0.39 O HETATM 1494 N ACE A 79 21.476 20.683 5.241 1.00 -0.27 N HETATM 1495 CA ACE A 79 22.249 20.472 6.460 1.00 0.13 C HETATM 1496 CB ACE A 79 23.293 21.545 6.834 1.00 -0.02 C HETATM 1497 CG ACE A 79 21.971 21.456 7.613 1.00 -0.02 C HETATM 1498 H56 ACE A 79 21.209 22.241 7.494 1.00 0.03 H HETATM 1499 H57 ACE A 79 21.969 21.098 8.653 1.00 0.03 H HETATM 1500 H54 ACE A 79 24.236 21.250 7.316 1.00 0.03 H HETATM 1501 H55 ACE A 79 23.477 22.393 6.158 1.00 0.03 H HETATM 1502 C ACE A 79 22.518 19.046 6.764 1.00 0.23 C HETATM 1503 O ACE A 79 23.207 18.730 7.745 1.00 -0.34 O HETATM 1504 N ACE A 79 22.029 18.074 6.026 1.00 -0.26 N HETATM 1505 CA ACE A 79 22.252 16.670 6.342 1.00 0.13 C HETATM 1506 C ACE A 79 23.725 16.305 6.321 1.00 0.20 C HETATM 1507 O ACE A 79 24.443 16.620 5.369 1.00 -0.39 O HETATM 1508 N ACE A 79 24.186 15.585 7.365 1.00 -0.30 N HETATM 1509 H70 ACE A 79 25.149 15.317 7.402 1.00 0.18 H HETATM 1510 H71 ACE A 79 23.565 15.319 8.102 1.00 0.18 H HETATM 1511 CB ACE A 79 21.471 15.764 5.331 1.00 -0.01 C HETATM 1512 CG ACE A 79 20.049 15.446 5.851 1.00 -0.04 C HETATM 1513 CD1 ACE A 79 19.188 14.911 4.674 1.00 -0.06 C HETATM 1514 H64 ACE A 79 18.175 14.682 5.035 1.00 0.02 H HETATM 1515 H65 ACE A 79 19.648 13.997 4.269 1.00 0.02 H HETATM 1516 H66 ACE A 79 19.132 15.674 3.884 1.00 0.02 H HETATM 1517 CD2 ACE A 79 20.074 14.392 6.972 1.00 -0.06 C HETATM 1518 H67 ACE A 79 20.682 14.763 7.810 1.00 0.02 H HETATM 1519 H68 ACE A 79 20.510 13.458 6.588 1.00 0.02 H HETATM 1520 H69 ACE A 79 19.048 14.202 7.319 1.00 0.02 H HETATM 1521 H63 ACE A 79 19.599 16.370 6.242 1.00 0.03 H HETATM 1522 H61 ACE A 79 22.022 14.822 5.193 1.00 0.03 H HETATM 1523 H62 ACE A 79 21.392 16.287 4.367 1.00 0.03 H HETATM 1524 H60 ACE A 79 21.866 16.481 7.354 1.00 0.08 H HETATM 1525 H59 ACE A 79 21.485 18.307 5.220 1.00 0.19 H HETATM 1526 H58 ACE A 79 20.487 20.802 5.333 1.00 0.18 H HETATM 1527 CB ACE A 79 21.172 22.447 2.388 1.00 -0.00 C HETATM 1528 CG ACE A 79 20.548 22.703 0.992 1.00 0.00 C HETATM 1529 CD ACE A 79 20.709 24.147 0.568 1.00 0.04 C HETATM 1530 OE1 ACE A 79 21.153 25.046 1.285 1.00 -0.57 O HETATM 1531 OE2 ACE A 79 20.333 24.418 -0.673 1.00 -0.57 O HETATM 1532 H52 ACE A 79 19.476 22.459 1.030 1.00 0.04 H HETATM 1533 H53 ACE A 79 21.046 22.056 0.254 1.00 0.04 H HETATM 1534 H50 ACE A 79 22.230 22.746 2.360 1.00 0.03 H HETATM 1535 H51 ACE A 79 20.637 23.059 3.129 1.00 0.03 H HETATM 1536 H49 ACE A 79 21.418 20.339 1.982 1.00 0.08 H HETATM 1537 H48 ACE A 79 19.006 21.359 3.158 1.00 0.19 H HETATM 1538 H40 ACE A 79 17.791 18.244 4.356 1.00 0.08 H HETATM 1539 H39 ACE A 79 16.535 20.786 4.272 1.00 0.19 H HETATM 1540 H30 ACE A 79 17.795 21.861 7.510 1.00 0.08 H HETATM 1541 H29 ACE A 79 15.901 23.025 5.717 1.00 0.19 H HETATM 1542 CB1 ACE A 79 16.859 25.802 5.656 1.00 -0.03 C HETATM 1543 H23 ACE A 79 17.594 26.109 6.415 1.00 0.02 H HETATM 1544 H24 ACE A 79 16.002 25.321 6.150 1.00 0.02 H HETATM 1545 H25 ACE A 79 16.514 26.686 5.101 1.00 0.02 H HETATM 1546 CB2 ACE A 79 18.776 25.392 3.956 1.00 -0.03 C HETATM 1547 H26 ACE A 79 19.530 25.674 4.705 1.00 0.02 H HETATM 1548 H27 ACE A 79 18.486 26.281 3.376 1.00 0.02 H HETATM 1549 H28 ACE A 79 19.197 24.634 3.279 1.00 0.02 H HETATM 1550 H22 ACE A 79 15.637 24.927 3.673 1.00 0.18 H HETATM 1551 CB ACE A 79 15.550 24.183 0.736 1.00 -0.00 C HETATM 1552 CG ACE A 79 16.450 23.850 -0.482 1.00 -0.00 C HETATM 1553 SD ACE A 79 15.434 23.946 -1.991 1.00 -0.16 S HETATM 1554 CE ACE A 79 14.914 25.695 -1.965 1.00 -0.02 C HETATM 1555 H19 ACE A 79 14.279 25.902 -2.839 1.00 0.03 H HETATM 1556 H20 ACE A 79 15.803 26.342 -1.996 1.00 0.03 H HETATM 1557 H21 ACE A 79 14.347 25.895 -1.044 1.00 0.03 H HETATM 1558 H17 ACE A 79 16.860 22.835 -0.374 1.00 0.04 H HETATM 1559 H18 ACE A 79 17.275 24.575 -0.543 1.00 0.04 H HETATM 1560 H15 ACE A 79 15.884 25.139 1.166 1.00 0.03 H HETATM 1561 H16 ACE A 79 14.512 24.281 0.387 1.00 0.03 H HETATM 1562 H14 ACE A 79 15.800 22.121 1.397 1.00 0.08 H HETATM 1563 H13 ACE A 79 13.550 23.731 2.110 1.00 0.19 H HETATM 1564 CB ACE A 79 11.638 21.480 2.998 1.00 0.02 C HETATM 1565 CG ACE A 79 12.271 20.152 2.559 1.00 -0.04 C HETATM 1566 CD1 ACE A 79 12.251 19.060 3.426 1.00 -0.06 C HETATM 1567 CE1 ACE A 79 12.824 17.841 3.054 1.00 -0.07 C HETATM 1568 CZ ACE A 79 13.460 17.689 1.808 1.00 -0.07 C HETATM 1569 CE2 ACE A 79 13.478 18.786 0.949 1.00 -0.07 C HETATM 1570 CD2 ACE A 79 12.892 20.009 1.314 1.00 -0.06 C HETATM 1571 H9 ACE A 79 12.921 20.847 0.627 1.00 0.06 H HETATM 1572 H11 ACE A 79 13.954 18.694 -0.021 1.00 0.06 H HETATM 1573 H12 ACE A 79 13.921 16.749 1.526 1.00 0.06 H HETATM 1574 H10 ACE A 79 12.778 17.000 3.736 1.00 0.06 H HETATM 1575 H8 ACE A 79 11.786 19.158 4.400 1.00 0.06 H HETATM 1576 H6 ACE A 79 11.460 22.109 2.113 1.00 0.05 H HETATM 1577 H7 ACE A 79 10.682 21.279 3.503 1.00 0.05 H HETATM 1578 H5 ACE A 79 12.624 21.642 4.910 1.00 0.08 H HETATM 1579 H4 ACE A 79 11.204 23.850 3.929 1.00 0.19 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1426 1427 1428 1432 CONECT 1427 1426 CONECT 1428 1426 1429 1430 1431 CONECT 1429 1428 CONECT 1430 1428 CONECT 1431 1428 CONECT 1432 1426 1433 1579 CONECT 1433 1432 1434 1564 1578 CONECT 1434 1433 1435 1436 CONECT 1435 1434 CONECT 1436 1434 1437 1563 CONECT 1437 1436 1438 1551 1562 CONECT 1438 1437 1439 1440 CONECT 1439 1438 CONECT 1440 1438 1441 1550 CONECT 1441 1440 1442 1542 1546 CONECT 1442 1441 1443 1444 CONECT 1443 1442 CONECT 1444 1442 1445 1541 CONECT 1445 1444 1446 1466 1540 CONECT 1446 1445 1447 1464 1465 CONECT 1447 1446 1448 1452 CONECT 1448 1447 1449 1463 CONECT 1449 1448 1450 1462 CONECT 1450 1449 1451 1455 CONECT 1451 1450 1452 1454 CONECT 1452 1447 1451 1453 CONECT 1453 1452 CONECT 1454 1451 CONECT 1455 1450 1456 1460 1461 CONECT 1456 1455 1457 1458 1459 CONECT 1457 1456 CONECT 1458 1456 CONECT 1459 1456 CONECT 1460 1455 CONECT 1461 1455 CONECT 1462 1449 CONECT 1463 1448 CONECT 1464 1446 CONECT 1465 1446 CONECT 1466 1445 1467 1468 CONECT 1467 1466 CONECT 1468 1466 1469 1539 CONECT 1469 1468 1470 1488 1538 CONECT 1470 1469 1471 1486 1487 CONECT 1471 1470 1472 1479 CONECT 1472 1471 1473 1477 CONECT 1473 1472 1474 1485 CONECT 1474 1473 1475 1484 CONECT 1475 1474 1476 1483 CONECT 1476 1475 1477 1482 CONECT 1477 1472 1476 1478 CONECT 1478 1477 1479 1481 CONECT 1479 1471 1478 1480 CONECT 1480 1479 CONECT 1481 1478 CONECT 1482 1476 CONECT 1483 1475 CONECT 1484 1474 CONECT 1485 1473 CONECT 1486 1470 CONECT 1487 1470 CONECT 1488 1469 1489 1490 CONECT 1489 1488 CONECT 1490 1488 1491 1537 CONECT 1491 1490 1492 1527 1536 CONECT 1492 1491 1493 1494 CONECT 1493 1492 CONECT 1494 1492 1495 1526 CONECT 1495 1494 1496 1497 1502 CONECT 1496 1495 1497 1500 1501 CONECT 1497 1495 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1496 CONECT 1501 1496 CONECT 1502 1495 1503 1504 CONECT 1503 1502 CONECT 1504 1502 1505 1525 CONECT 1505 1504 1506 1511 1524 CONECT 1506 1505 1507 1508 CONECT 1507 1506 CONECT 1508 1506 1509 1510 CONECT 1509 1508 CONECT 1510 1508 CONECT 1511 1505 1512 1522 1523 CONECT 1512 1511 1513 1517 1521 CONECT 1513 1512 1514 1515 1516 CONECT 1514 1513 CONECT 1515 1513 CONECT 1516 1513 CONECT 1517 1512 1518 1519 1520 CONECT 1518 1517 CONECT 1519 1517 CONECT 1520 1517 CONECT 1521 1512 CONECT 1522 1511 CONECT 1523 1511 CONECT 1524 1505 CONECT 1525 1504 CONECT 1526 1494 CONECT 1527 1491 1528 1534 1535 CONECT 1528 1527 1529 1532 1533 CONECT 1529 1528 1530 1531 CONECT 1530 1529 CONECT 1531 1529 CONECT 1532 1528 CONECT 1533 1528 CONECT 1534 1527 CONECT 1535 1527 CONECT 1536 1491 CONECT 1537 1490 CONECT 1538 1469 CONECT 1539 1468 CONECT 1540 1445 CONECT 1541 1444 CONECT 1542 1441 1543 1544 1545 CONECT 1543 1542 CONECT 1544 1542 CONECT 1545 1542 CONECT 1546 1441 1547 1548 1549 CONECT 1547 1546 CONECT 1548 1546 CONECT 1549 1546 CONECT 1550 1440 CONECT 1551 1437 1552 1560 1561 CONECT 1552 1551 1553 1558 1559 CONECT 1553 1552 1554 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1552 CONECT 1559 1552 CONECT 1560 1551 CONECT 1561 1551 CONECT 1562 1437 CONECT 1563 1436 CONECT 1564 1433 1565 1576 1577 CONECT 1565 1564 1566 1570 CONECT 1566 1565 1567 1575 CONECT 1567 1566 1568 1574 CONECT 1568 1567 1569 1573 CONECT 1569 1568 1570 1572 CONECT 1570 1565 1569 1571 CONECT 1571 1570 CONECT 1572 1569 CONECT 1573 1568 CONECT 1574 1567 CONECT 1575 1566 CONECT 1576 1564 CONECT 1577 1564 CONECT 1578 1433 CONECT 1579 1432 MASTER 0 0 0 0 0 0 0 0 1578 1 158 7 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 3fea
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2n06
RCSB PDB
PDBbind
89aa, >2N06_1|Chain... at 100%
2n0u
RCSB PDB
PDBbind
89aa, >2N0U_1|Chain... at 100%
2n0w
RCSB PDB
PDBbind
89aa, >2N0W_1|Chain... at 100%
2n14
RCSB PDB
PDBbind
89aa, >2N14_1|Chain... at 100%
2vyr
RCSB PDB
PDBbind
101aa, >2VYR_1|Chains... *
3eqy
RCSB PDB
PDBbind
85aa, >3EQY_1|Chains... at 96%
3fe7
RCSB PDB
PDBbind
100aa, >3FE7_1|Chain... at 95%
3lbj
RCSB PDB
PDBbind
90aa, >3LBJ_1|Chain... at 98%
3u15
RCSB PDB
PDBbind
100aa, >3U15_1|Chains... at 95%
4rxz
RCSB PDB
PDBbind
85aa, >4RXZ_1|Chains... at 100%
6q9y
RCSB PDB
PDBbind
100aa, >6Q9Y_1|Chains... at 95%
6q9w
RCSB PDB
PDBbind
100aa, >6Q9W_1|Chains... at 95%
6q9u
RCSB PDB
PDBbind
100aa, >6Q9U_1|Chain... at 95%
6q9s
RCSB PDB
PDBbind
100aa, >6Q9S_1|Chains... at 95%
6q9q
RCSB PDB
PDBbind
100aa, >6Q9Q_1|Chains... at 95%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
RCSB PDB
PDBbind
10-mer
1cka
RCSB PDB
PDBbind
10-mer
1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
3fea
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mdm4 protein
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.33(Å)
Affinity (Kd/Ki/IC50)
Kd=36nM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Biol.Chem. Vol. 284: pp. 8812-8821
Ligand Properties
Formula
C
5
6
H
7
5
ClN
1
0
O
1
4
PS
Molecular Weight
1210.750
Exact Mass
1209.460
No. of atoms
158
No. of bonds
162
Polar Surface Area
428.56
LOGP Value
3.47 (
Computed with XLOGP3
)
5.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 24
No. of Rings: 5
Canonical SMILES
CSCC[C@@H](C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC1(CC1)C(=O)N[C@H](C(=O)N)CC(C)C)CCC(=O)O)Cc1c[nH]c2c1ccc(c2)Cl)Cc1ccc(cc1)CP(O)(O)O)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C
InChI String
InChI=1S/C56H76ClN10O14PS/c1-31(2)24-42(47(58)71)64-54(78)56(21-22-56)67-52(76)39(18-19-46(69)70)61-50(74)45(27-36-29-59-41-28-37(57)16-17-38(36)41)63-49(73)44(26-34-12-14-35(15-13-34)30-82(79,80)81)65-53(77)55(4,5)66-51(75)40(20-23-83-6)62-48(72)43(60-32(3)68)25-33-10-8-7-9-11-33/h7-17,28-29,31,39-40,42-45,59,79-82H,18-27,30H2,1-6H3,(H2,58,71)(H,60,68)(H,61,74)(H,62,72)(H,63,73)(H,64,78)(H,65,77)(H,66,75)(H,67,76)(H,69,70)/t39-,40-,42-,43-,44-,45-/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):
O15151
Entrez Gene ID
NCBI Entrez Gene ID:
4194
ASD
Information of known allosteric effects of PDB entries
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