Browse entries in the PDBbind-CN Database
HEADER 3FE7_COMPLEX COMPND 3FE7_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 169 154 ATOM 1 N GLN A 26 33.124 5.567 -5.797 1.00 23.48 N ATOM 2 CA GLN A 26 31.845 5.445 -6.559 1.00 22.56 C ATOM 3 C GLN A 26 31.027 4.281 -6.012 1.00 21.16 C ATOM 4 O GLN A 26 31.572 3.310 -5.488 1.00 21.61 O ATOM 5 CB GLN A 26 32.109 5.239 -8.052 1.00 23.79 C ATOM 6 CG GLN A 26 33.023 6.280 -8.698 1.00 27.34 C ATOM 7 CD GLN A 26 32.280 7.513 -9.199 1.00 30.05 C ATOM 8 OE1 GLN A 26 31.073 7.480 -9.442 1.00 32.65 O ATOM 9 NE2 GLN A 26 33.013 8.603 -9.385 1.00 32.55 N ATOM 10 HA GLN A 26 31.286 6.373 -6.438 1.00 0.00 H ATOM 11 HB2 GLN A 26 32.568 4.259 -8.182 1.00 0.00 H ATOM 12 HB3 GLN A 26 31.151 5.262 -8.571 1.00 0.00 H ATOM 13 HG2 GLN A 26 33.761 6.597 -7.961 1.00 0.00 H ATOM 14 HG3 GLN A 26 33.532 5.816 -9.543 1.00 0.00 H ATOM 15 HE22 GLN A 26 34.030 8.589 -9.167 1.00 0.00 H ATOM 16 HE21 GLN A 26 32.571 9.471 -9.748 1.00 0.00 H ATOM 17 HN3 GLN A 26 33.669 4.687 -5.894 1.00 0.00 H ATOM 18 HN2 GLN A 26 32.913 5.736 -4.793 1.00 0.00 H ATOM 19 HN1 GLN A 26 33.677 6.363 -6.175 1.00 0.00 H ATOM 20 N VAL A 27 29.712 4.404 -6.118 1.00 18.34 N ATOM 21 CA VAL A 27 28.786 3.369 -5.648 1.00 16.80 C ATOM 22 C VAL A 27 27.744 3.074 -6.733 1.00 15.59 C ATOM 23 O VAL A 27 27.476 3.906 -7.596 1.00 14.71 O ATOM 24 CB VAL A 27 28.061 3.786 -4.334 1.00 16.59 C ATOM 25 CG1 VAL A 27 29.045 3.953 -3.181 1.00 18.32 C ATOM 26 CG2 VAL A 27 27.236 5.058 -4.534 1.00 17.04 C ATOM 27 HA VAL A 27 29.373 2.475 -5.437 1.00 0.00 H ATOM 28 HB VAL A 27 27.377 2.979 -4.072 1.00 0.00 H ATOM 29 HG11 VAL A 27 29.561 3.009 -3.006 1.00 0.00 H ATOM 30 HG12 VAL A 27 29.772 4.725 -3.434 1.00 0.00 H ATOM 31 HG13 VAL A 27 28.503 4.244 -2.281 1.00 0.00 H ATOM 32 HG21 VAL A 27 27.893 5.871 -4.841 1.00 0.00 H ATOM 33 HG22 VAL A 27 26.485 4.885 -5.305 1.00 0.00 H ATOM 34 HG23 VAL A 27 26.743 5.321 -3.598 1.00 0.00 H ATOM 35 H VAL A 27 29.323 5.266 -6.550 1.00 0.00 H ATOM 36 N ARG A 28 27.160 1.875 -6.677 1.00 14.88 N ATOM 37 CA ARG A 28 26.097 1.490 -7.595 1.00 14.86 C ATOM 38 C ARG A 28 24.878 1.102 -6.768 1.00 13.96 C ATOM 39 O ARG A 28 24.902 0.093 -6.069 1.00 14.14 O ATOM 40 CB ARG A 28 26.549 0.315 -8.475 1.00 15.61 C ATOM 41 CG ARG A 28 27.639 0.718 -9.469 1.00 17.95 C ATOM 42 CD ARG A 28 27.844 -0.356 -10.529 1.00 23.24 C ATOM 43 NE ARG A 28 28.962 -0.063 -11.432 1.00 26.83 N ATOM 44 CZ ARG A 28 30.141 -0.685 -11.399 1.00 30.29 C ATOM 45 NH1 ARG A 28 30.368 -1.649 -10.516 1.00 32.54 N ATOM 46 NH2 ARG A 28 31.095 -0.349 -12.259 1.00 32.00 N ATOM 47 HA ARG A 28 25.851 2.321 -8.256 1.00 0.00 H ATOM 48 HB2 ARG A 28 26.936 -0.476 -7.832 1.00 0.00 H ATOM 49 HB3 ARG A 28 25.689 -0.058 -9.030 1.00 0.00 H ATOM 50 HG2 ARG A 28 27.349 1.648 -9.957 1.00 0.00 H ATOM 51 HG3 ARG A 28 28.574 0.868 -8.930 1.00 0.00 H ATOM 52 HD2 ARG A 28 26.932 -0.440 -11.120 1.00 0.00 H ATOM 53 HD3 ARG A 28 28.040 -1.305 -10.029 1.00 0.00 H ATOM 54 HE ARG A 28 28.826 0.680 -12.147 1.00 0.00 H ATOM 55 HH12 ARG A 28 31.290 -2.130 -10.496 1.00 0.00 H ATOM 56 HH11 ARG A 28 29.624 -1.924 -9.844 1.00 0.00 H ATOM 57 HH22 ARG A 28 32.014 -0.835 -12.232 1.00 0.00 H ATOM 58 HH21 ARG A 28 30.923 0.400 -12.960 1.00 0.00 H ATOM 59 H ARG A 28 27.474 1.195 -5.956 1.00 0.00 H ATOM 60 N PRO A 29 23.817 1.923 -6.804 1.00 12.66 N ATOM 61 CA PRO A 29 22.612 1.579 -6.050 1.00 12.36 C ATOM 62 C PRO A 29 21.901 0.319 -6.542 1.00 12.33 C ATOM 63 O PRO A 29 21.877 0.055 -7.758 1.00 12.61 O ATOM 64 CB PRO A 29 21.694 2.790 -6.270 1.00 12.58 C ATOM 65 CG PRO A 29 22.614 3.909 -6.672 1.00 13.28 C ATOM 66 CD PRO A 29 23.707 3.239 -7.462 1.00 12.85 C ATOM 67 HA PRO A 29 22.865 1.368 -5.011 1.00 0.00 H ATOM 68 HD3 PRO A 29 23.428 3.133 -8.510 1.00 0.00 H ATOM 69 HD2 PRO A 29 24.642 3.795 -7.391 1.00 0.00 H ATOM 70 HG3 PRO A 29 23.024 4.405 -5.792 1.00 0.00 H ATOM 71 HG2 PRO A 29 22.087 4.639 -7.287 1.00 0.00 H ATOM 72 HB2 PRO A 29 20.972 2.585 -7.060 1.00 0.00 H ATOM 73 HB3 PRO A 29 21.164 3.041 -5.351 1.00 0.00 H ATOM 74 N LYS A 30 21.285 -0.396 -5.598 1.00 12.07 N ATOM 75 CA LYS A 30 20.376 -1.499 -5.931 1.00 12.07 C ATOM 76 C LYS A 30 19.132 -0.923 -6.592 1.00 12.63 C ATOM 77 O LYS A 30 18.895 0.290 -6.540 1.00 12.37 O ATOM 78 CB LYS A 30 20.022 -2.308 -4.689 1.00 12.71 C ATOM 79 CG LYS A 30 21.218 -3.030 -4.115 1.00 13.51 C ATOM 80 CD LYS A 30 20.806 -3.856 -2.922 1.00 15.92 C ATOM 81 CE LYS A 30 22.012 -4.540 -2.304 1.00 18.20 C ATOM 82 NZ LYS A 30 21.642 -5.249 -1.037 1.00 20.45 N ATOM 83 HA LYS A 30 20.867 -2.182 -6.624 1.00 0.00 H ATOM 84 HB2 LYS A 30 19.624 -1.632 -3.932 1.00 0.00 H ATOM 85 HB3 LYS A 30 19.262 -3.043 -4.954 1.00 0.00 H ATOM 86 HG2 LYS A 30 21.643 -3.684 -4.876 1.00 0.00 H ATOM 87 HG3 LYS A 30 21.966 -2.299 -3.806 1.00 0.00 H ATOM 88 HD2 LYS A 30 20.342 -3.207 -2.179 1.00 0.00 H ATOM 89 HD3 LYS A 30 20.089 -4.612 -3.240 1.00 0.00 H ATOM 90 HE2 LYS A 30 22.772 -3.791 -2.084 1.00 0.00 H ATOM 91 HE3 LYS A 30 22.413 -5.264 -3.013 1.00 0.00 H ATOM 92 HZ1 LYS A 30 21.263 -4.562 -0.354 1.00 0.00 H ATOM 93 HZ2 LYS A 30 20.920 -5.969 -1.242 1.00 0.00 H ATOM 94 HZ3 LYS A 30 22.486 -5.707 -0.638 1.00 0.00 H ATOM 95 H LYS A 30 21.454 -0.165 -4.598 1.00 0.00 H ATOM 96 N LEU A 31 18.331 -1.771 -7.222 1.00 12.55 N ATOM 97 CA LEU A 31 17.327 -1.300 -8.167 1.00 12.42 C ATOM 98 C LEU A 31 16.212 -0.409 -7.571 1.00 12.82 C ATOM 99 O LEU A 31 15.912 0.641 -8.147 1.00 12.34 O ATOM 100 CB LEU A 31 16.776 -2.460 -9.033 1.00 13.39 C ATOM 101 CG LEU A 31 15.943 -2.064 -10.254 1.00 16.62 C ATOM 102 CD1 LEU A 31 16.695 -1.101 -11.155 1.00 20.13 C ATOM 103 CD2 LEU A 31 15.607 -3.290 -11.040 1.00 18.65 C ATOM 104 HA LEU A 31 17.863 -0.614 -8.823 1.00 0.00 H ATOM 105 HB2 LEU A 31 17.627 -3.043 -9.387 1.00 0.00 H ATOM 106 HB3 LEU A 31 16.151 -3.083 -8.393 1.00 0.00 H ATOM 107 HG LEU A 31 15.039 -1.571 -9.897 1.00 0.00 H ATOM 108 HD21 LEU A 31 16.527 -3.774 -11.366 1.00 0.00 H ATOM 109 HD22 LEU A 31 15.036 -3.976 -10.414 1.00 0.00 H ATOM 110 HD23 LEU A 31 15.014 -3.011 -11.911 1.00 0.00 H ATOM 111 HD11 LEU A 31 16.939 -0.197 -10.596 1.00 0.00 H ATOM 112 HD12 LEU A 31 17.614 -1.573 -11.503 1.00 0.00 H ATOM 113 HD13 LEU A 31 16.071 -0.843 -12.011 1.00 0.00 H ATOM 114 H LEU A 31 18.421 -2.791 -7.038 1.00 0.00 H ATOM 115 N PRO A 32 15.585 -0.808 -6.452 1.00 12.23 N ATOM 116 CA PRO A 32 14.586 0.113 -5.882 1.00 12.90 C ATOM 117 C PRO A 32 15.140 1.525 -5.584 1.00 12.42 C ATOM 118 O PRO A 32 14.473 2.520 -5.912 1.00 12.81 O ATOM 119 CB PRO A 32 14.124 -0.600 -4.607 1.00 12.69 C ATOM 120 CG PRO A 32 14.356 -2.092 -4.941 1.00 14.06 C ATOM 121 CD PRO A 32 15.658 -2.083 -5.707 1.00 13.23 C ATOM 122 HA PRO A 32 13.776 0.308 -6.585 1.00 0.00 H ATOM 123 HD3 PRO A 32 16.513 -2.096 -5.031 1.00 0.00 H ATOM 124 HD2 PRO A 32 15.721 -2.933 -6.386 1.00 0.00 H ATOM 125 HG3 PRO A 32 13.545 -2.485 -5.554 1.00 0.00 H ATOM 126 HG2 PRO A 32 14.443 -2.686 -4.031 1.00 0.00 H ATOM 127 HB2 PRO A 32 14.720 -0.293 -3.748 1.00 0.00 H ATOM 128 HB3 PRO A 32 13.071 -0.402 -4.406 1.00 0.00 H ATOM 129 N LEU A 33 16.337 1.602 -5.003 1.00 11.67 N ATOM 130 CA LEU A 33 16.955 2.905 -4.755 1.00 11.30 C ATOM 131 C LEU A 33 17.275 3.614 -6.067 1.00 11.85 C ATOM 132 O LEU A 33 17.027 4.821 -6.184 1.00 11.23 O ATOM 133 CB LEU A 33 18.192 2.757 -3.873 1.00 10.76 C ATOM 134 CG LEU A 33 18.952 4.065 -3.576 1.00 10.99 C ATOM 135 CD1 LEU A 33 18.052 5.131 -2.918 1.00 12.60 C ATOM 136 CD2 LEU A 33 20.122 3.765 -2.669 1.00 12.19 C ATOM 137 HA LEU A 33 16.242 3.528 -4.216 1.00 0.00 H ATOM 138 HB2 LEU A 33 17.878 2.327 -2.922 1.00 0.00 H ATOM 139 HB3 LEU A 33 18.880 2.073 -4.370 1.00 0.00 H ATOM 140 HG LEU A 33 19.296 4.471 -4.527 1.00 0.00 H ATOM 141 HD21 LEU A 33 19.756 3.334 -1.737 1.00 0.00 H ATOM 142 HD22 LEU A 33 20.789 3.057 -3.161 1.00 0.00 H ATOM 143 HD23 LEU A 33 20.662 4.688 -2.457 1.00 0.00 H ATOM 144 HD11 LEU A 33 17.223 5.367 -3.585 1.00 0.00 H ATOM 145 HD12 LEU A 33 17.663 4.745 -1.976 1.00 0.00 H ATOM 146 HD13 LEU A 33 18.636 6.032 -2.730 1.00 0.00 H ATOM 147 H LEU A 33 16.834 0.732 -4.725 1.00 0.00 H ATOM 148 N LEU A 34 17.781 2.890 -7.066 1.00 11.17 N ATOM 149 CA LEU A 34 18.055 3.496 -8.360 1.00 11.79 C ATOM 150 C LEU A 34 16.802 4.102 -8.993 1.00 12.22 C ATOM 151 O LEU A 34 16.867 5.177 -9.594 1.00 12.79 O ATOM 152 CB LEU A 34 18.708 2.481 -9.311 1.00 12.94 C ATOM 153 CG LEU A 34 19.289 3.034 -10.604 1.00 13.92 C ATOM 154 CD1 LEU A 34 20.431 4.007 -10.340 1.00 17.06 C ATOM 155 CD2 LEU A 34 19.767 1.865 -11.452 1.00 16.99 C ATOM 156 HA LEU A 34 18.755 4.314 -8.188 1.00 0.00 H ATOM 157 HB2 LEU A 34 19.516 1.991 -8.768 1.00 0.00 H ATOM 158 HB3 LEU A 34 17.951 1.743 -9.577 1.00 0.00 H ATOM 159 HG LEU A 34 18.516 3.593 -11.132 1.00 0.00 H ATOM 160 HD21 LEU A 34 20.530 1.310 -10.906 1.00 0.00 H ATOM 161 HD22 LEU A 34 18.925 1.208 -11.671 1.00 0.00 H ATOM 162 HD23 LEU A 34 20.187 2.242 -12.384 1.00 0.00 H ATOM 163 HD11 LEU A 34 20.064 4.843 -9.744 1.00 0.00 H ATOM 164 HD12 LEU A 34 21.226 3.494 -9.799 1.00 0.00 H ATOM 165 HD13 LEU A 34 20.817 4.378 -11.289 1.00 0.00 H ATOM 166 H LEU A 34 17.982 1.880 -6.918 1.00 0.00 H ATOM 167 N LYS A 35 15.673 3.413 -8.867 1.00 12.30 N ATOM 168 CA LYS A 35 14.418 3.941 -9.410 1.00 13.08 C ATOM 169 C LYS A 35 14.017 5.259 -8.744 1.00 12.46 C ATOM 170 O LYS A 35 13.497 6.158 -9.406 1.00 12.69 O ATOM 171 CB LYS A 35 13.294 2.907 -9.274 1.00 14.27 C ATOM 172 CG LYS A 35 13.509 1.681 -10.153 1.00 19.21 C ATOM 173 CD LYS A 35 12.261 0.850 -10.262 1.00 26.17 C ATOM 174 CE LYS A 35 12.405 -0.182 -11.365 1.00 28.06 C ATOM 175 NZ LYS A 35 11.280 -1.168 -11.333 1.00 31.79 N ATOM 176 HA LYS A 35 14.582 4.146 -10.468 1.00 0.00 H ATOM 177 HB2 LYS A 35 13.241 2.585 -8.234 1.00 0.00 H ATOM 178 HB3 LYS A 35 12.352 3.377 -9.556 1.00 0.00 H ATOM 179 HG2 LYS A 35 13.804 2.008 -11.150 1.00 0.00 H ATOM 180 HG3 LYS A 35 14.303 1.072 -9.722 1.00 0.00 H ATOM 181 HD2 LYS A 35 12.085 0.341 -9.315 1.00 0.00 H ATOM 182 HD3 LYS A 35 11.415 1.500 -10.487 1.00 0.00 H ATOM 183 HE2 LYS A 35 13.348 -0.713 -11.234 1.00 0.00 H ATOM 184 HE3 LYS A 35 12.406 0.326 -12.330 1.00 0.00 H ATOM 185 HZ1 LYS A 35 11.277 -1.659 -10.416 1.00 0.00 H ATOM 186 HZ2 LYS A 35 10.378 -0.667 -11.462 1.00 0.00 H ATOM 187 HZ3 LYS A 35 11.406 -1.861 -12.098 1.00 0.00 H ATOM 188 H LYS A 35 15.680 2.494 -8.380 1.00 0.00 H ATOM 189 N ILE A 36 14.212 5.363 -7.433 1.00 11.70 N ATOM 190 CA ILE A 36 13.991 6.613 -6.701 1.00 11.09 C ATOM 191 C ILE A 36 14.896 7.728 -7.239 1.00 10.50 C ATOM 192 O ILE A 36 14.422 8.833 -7.530 1.00 9.97 O ATOM 193 CB ILE A 36 14.202 6.361 -5.195 1.00 11.63 C ATOM 194 CG1 ILE A 36 12.988 5.591 -4.644 1.00 12.19 C ATOM 195 CG2 ILE A 36 14.473 7.667 -4.421 1.00 12.64 C ATOM 196 CD1 ILE A 36 13.185 5.107 -3.217 1.00 15.46 C ATOM 197 HA ILE A 36 12.965 6.951 -6.849 1.00 0.00 H ATOM 198 HB ILE A 36 15.096 5.753 -5.055 1.00 0.00 H ATOM 199 HG12 ILE A 36 12.119 6.248 -4.671 1.00 0.00 H ATOM 200 HG13 ILE A 36 12.807 4.726 -5.282 1.00 0.00 H ATOM 201 HD11 ILE A 36 14.046 4.439 -3.177 1.00 0.00 H ATOM 202 HD12 ILE A 36 13.357 5.963 -2.565 1.00 0.00 H ATOM 203 HD13 ILE A 36 12.293 4.572 -2.890 1.00 0.00 H ATOM 204 HG21 ILE A 36 15.371 8.142 -4.816 1.00 0.00 H ATOM 205 HG22 ILE A 36 13.623 8.340 -4.538 1.00 0.00 H ATOM 206 HG23 ILE A 36 14.615 7.439 -3.365 1.00 0.00 H ATOM 207 H ILE A 36 14.534 4.525 -6.907 1.00 0.00 H ATOM 208 N LEU A 37 16.178 7.436 -7.415 1.00 9.96 N ATOM 209 CA LEU A 37 17.094 8.456 -7.910 1.00 10.20 C ATOM 210 C LEU A 37 16.695 8.890 -9.320 1.00 10.91 C ATOM 211 O LEU A 37 16.719 10.081 -9.628 1.00 10.61 O ATOM 212 CB LEU A 37 18.542 7.974 -7.864 1.00 10.00 C ATOM 213 CG LEU A 37 19.023 7.496 -6.481 1.00 9.61 C ATOM 214 CD1 LEU A 37 20.451 6.978 -6.547 1.00 12.99 C ATOM 215 CD2 LEU A 37 18.903 8.608 -5.421 1.00 11.32 C ATOM 216 HA LEU A 37 17.024 9.324 -7.254 1.00 0.00 H ATOM 217 HB2 LEU A 37 18.646 7.145 -8.564 1.00 0.00 H ATOM 218 HB3 LEU A 37 19.183 8.797 -8.180 1.00 0.00 H ATOM 219 HG LEU A 37 18.371 6.676 -6.180 1.00 0.00 H ATOM 220 HD21 LEU A 37 19.511 9.461 -5.721 1.00 0.00 H ATOM 221 HD22 LEU A 37 17.861 8.916 -5.335 1.00 0.00 H ATOM 222 HD23 LEU A 37 19.252 8.231 -4.460 1.00 0.00 H ATOM 223 HD11 LEU A 37 20.500 6.140 -7.243 1.00 0.00 H ATOM 224 HD12 LEU A 37 21.110 7.776 -6.889 1.00 0.00 H ATOM 225 HD13 LEU A 37 20.763 6.648 -5.556 1.00 0.00 H ATOM 226 H LEU A 37 16.529 6.481 -7.200 1.00 0.00 H ATOM 227 N HIS A 38 16.346 7.937 -10.185 1.00 11.06 N ATOM 228 CA HIS A 38 15.916 8.289 -11.546 1.00 11.44 C ATOM 229 C HIS A 38 14.646 9.115 -11.545 1.00 11.59 C ATOM 230 O HIS A 38 14.520 10.051 -12.358 1.00 12.18 O ATOM 231 CB HIS A 38 15.704 7.030 -12.411 1.00 12.12 C ATOM 232 CG HIS A 38 16.970 6.360 -12.825 1.00 13.97 C ATOM 233 ND1 HIS A 38 16.992 5.092 -13.380 1.00 17.70 N ATOM 234 CD2 HIS A 38 18.263 6.744 -12.721 1.00 16.70 C ATOM 235 CE1 HIS A 38 18.241 4.747 -13.630 1.00 17.86 C ATOM 236 NE2 HIS A 38 19.033 5.734 -13.247 1.00 17.88 N ATOM 237 HA HIS A 38 16.719 8.889 -11.975 1.00 0.00 H ATOM 238 HB2 HIS A 38 15.109 6.317 -11.840 1.00 0.00 H ATOM 239 HB3 HIS A 38 15.159 7.319 -13.310 1.00 0.00 H ATOM 240 HD2 HIS A 38 18.627 7.681 -12.298 1.00 0.00 H ATOM 241 HE1 HIS A 38 18.565 3.807 -14.077 1.00 0.00 H ATOM 242 H HIS A 38 16.378 6.939 -9.895 1.00 0.00 H ATOM 243 N ALA A 39 13.710 8.823 -10.651 1.00 11.67 N ATOM 244 CA ALA A 39 12.483 9.618 -10.560 1.00 12.08 C ATOM 245 C ALA A 39 12.764 11.074 -10.183 1.00 12.98 C ATOM 246 O ALA A 39 11.924 11.964 -10.417 1.00 14.12 O ATOM 247 CB ALA A 39 11.498 8.995 -9.596 1.00 12.70 C ATOM 248 HA ALA A 39 12.035 9.622 -11.554 1.00 0.00 H ATOM 249 HB1 ALA A 39 11.239 7.993 -9.939 1.00 0.00 H ATOM 250 HB2 ALA A 39 11.949 8.936 -8.605 1.00 0.00 H ATOM 251 HB3 ALA A 39 10.598 9.609 -9.551 1.00 0.00 H ATOM 252 H ALA A 39 13.849 8.019 -10.006 1.00 0.00 H ATOM 253 N ALA A 40 13.924 11.308 -9.578 1.00 12.55 N ATOM 254 CA ALA A 40 14.343 12.646 -9.153 1.00 12.42 C ATOM 255 C ALA A 40 15.244 13.347 -10.157 1.00 13.39 C ATOM 256 O ALA A 40 15.760 14.432 -9.879 1.00 13.65 O ATOM 257 CB ALA A 40 15.060 12.539 -7.824 1.00 12.20 C ATOM 258 HA ALA A 40 13.440 13.251 -9.069 1.00 0.00 H ATOM 259 HB1 ALA A 40 14.386 12.111 -7.082 1.00 0.00 H ATOM 260 HB2 ALA A 40 15.934 11.897 -7.935 1.00 0.00 H ATOM 261 HB3 ALA A 40 15.375 13.531 -7.502 1.00 0.00 H ATOM 262 H ALA A 40 14.562 10.507 -9.398 1.00 0.00 H ATOM 263 N GLY A 41 15.481 12.716 -11.295 1.00 13.19 N ATOM 264 CA GLY A 41 16.289 13.308 -12.357 1.00 13.94 C ATOM 265 C GLY A 41 17.683 12.755 -12.558 1.00 14.33 C ATOM 266 O GLY A 41 18.396 13.179 -13.475 1.00 15.35 O ATOM 267 HA3 GLY A 41 16.386 14.372 -12.140 1.00 0.00 H ATOM 268 HA2 GLY A 41 15.746 13.177 -13.293 1.00 0.00 H ATOM 269 H GLY A 41 15.079 11.768 -11.438 1.00 0.00 H ATOM 270 N ALA A 42 18.107 11.811 -11.720 1.00 13.53 N ATOM 271 CA ALA A 42 19.428 11.206 -11.888 1.00 13.98 C ATOM 272 C ALA A 42 19.496 10.362 -13.161 1.00 15.34 C ATOM 273 O ALA A 42 18.483 9.791 -13.589 1.00 15.81 O ATOM 274 CB ALA A 42 19.785 10.341 -10.676 1.00 14.39 C ATOM 275 HA ALA A 42 20.150 12.018 -11.973 1.00 0.00 H ATOM 276 HB1 ALA A 42 19.792 10.960 -9.779 1.00 0.00 H ATOM 277 HB2 ALA A 42 19.045 9.548 -10.566 1.00 0.00 H ATOM 278 HB3 ALA A 42 20.771 9.901 -10.823 1.00 0.00 H ATOM 279 H ALA A 42 17.494 11.501 -10.939 1.00 0.00 H ATOM 280 N GLN A 43 20.690 10.278 -13.734 1.00 17.05 N ATOM 281 CA GLN A 43 20.906 9.476 -14.940 1.00 19.06 C ATOM 282 C GLN A 43 22.041 8.487 -14.726 1.00 18.43 C ATOM 283 O GLN A 43 23.022 8.803 -14.060 1.00 18.81 O ATOM 284 CB GLN A 43 21.226 10.378 -16.128 1.00 19.66 C ATOM 285 CG GLN A 43 20.145 11.403 -16.467 1.00 21.98 C ATOM 286 CD GLN A 43 20.572 12.335 -17.579 1.00 22.80 C ATOM 287 OE1 GLN A 43 20.758 11.910 -18.721 1.00 29.31 O ATOM 288 NE2 GLN A 43 20.744 13.611 -17.252 1.00 26.81 N ATOM 289 HA GLN A 43 19.991 8.923 -15.150 1.00 0.00 H ATOM 290 HB2 GLN A 43 22.147 10.917 -15.906 1.00 0.00 H ATOM 291 HB3 GLN A 43 21.379 9.745 -17.002 1.00 0.00 H ATOM 292 HG2 GLN A 43 19.244 10.874 -16.778 1.00 0.00 H ATOM 293 HG3 GLN A 43 19.929 11.994 -15.577 1.00 0.00 H ATOM 294 HE22 GLN A 43 20.575 13.925 -16.275 1.00 0.00 H ATOM 295 HE21 GLN A 43 21.048 14.296 -17.973 1.00 0.00 H ATOM 296 H GLN A 43 21.491 10.794 -13.317 1.00 0.00 H ATOM 297 N GLY A 44 21.906 7.286 -15.286 1.00 17.97 N ATOM 298 CA GLY A 44 22.966 6.283 -15.182 1.00 17.82 C ATOM 299 C GLY A 44 22.856 5.390 -13.955 1.00 17.37 C ATOM 300 O GLY A 44 21.840 5.398 -13.259 1.00 17.66 O ATOM 301 HA3 GLY A 44 23.925 6.800 -15.145 1.00 0.00 H ATOM 302 HA2 GLY A 44 22.929 5.652 -16.070 1.00 0.00 H ATOM 303 H GLY A 44 21.034 7.058 -15.805 1.00 0.00 H ATOM 304 N GLU A 45 23.913 4.636 -13.696 1.00 17.50 N ATOM 305 CA GLU A 45 23.902 3.570 -12.692 1.00 17.71 C ATOM 306 C GLU A 45 24.952 3.701 -11.607 1.00 17.39 C ATOM 307 O GLU A 45 24.854 3.044 -10.579 1.00 16.12 O ATOM 308 CB GLU A 45 24.078 2.209 -13.369 1.00 19.23 C ATOM 309 CG GLU A 45 22.897 1.790 -14.220 1.00 23.72 C ATOM 310 CD GLU A 45 23.093 0.418 -14.822 1.00 30.14 C ATOM 311 OE1 GLU A 45 23.815 0.314 -15.840 1.00 32.63 O ATOM 312 OE2 GLU A 45 22.526 -0.555 -14.276 1.00 32.99 O ATOM 313 HA GLU A 45 22.932 3.659 -12.202 1.00 0.00 H ATOM 314 HB2 GLU A 45 24.962 2.254 -14.006 1.00 0.00 H ATOM 315 HB3 GLU A 45 24.227 1.457 -12.594 1.00 0.00 H ATOM 316 HG2 GLU A 45 22.002 1.778 -13.599 1.00 0.00 H ATOM 317 HG3 GLU A 45 22.769 2.513 -15.025 1.00 0.00 H ATOM 318 H GLU A 45 24.789 4.808 -14.229 1.00 0.00 H ATOM 319 N MET A 46 25.948 4.551 -11.839 1.00 17.26 N ATOM 320 CA MET A 46 27.079 4.707 -10.929 1.00 18.84 C ATOM 321 C MET A 46 27.164 6.165 -10.478 1.00 16.31 C ATOM 322 O MET A 46 27.042 7.076 -11.290 1.00 16.63 O ATOM 323 CB MET A 46 28.387 4.286 -11.611 1.00 18.91 C ATOM 324 CG MET A 46 29.583 4.308 -10.679 1.00 21.55 C ATOM 325 SD MET A 46 31.108 3.668 -11.392 1.00 28.50 S ATOM 326 CE MET A 46 31.557 4.972 -12.527 1.00 29.23 C ATOM 327 HA MET A 46 26.929 4.064 -10.062 1.00 0.00 H ATOM 328 HB2 MET A 46 28.267 3.273 -11.996 1.00 0.00 H ATOM 329 HB3 MET A 46 28.581 4.968 -12.439 1.00 0.00 H ATOM 330 HG2 MET A 46 29.341 3.708 -9.802 1.00 0.00 H ATOM 331 HG3 MET A 46 29.757 5.340 -10.375 1.00 0.00 H ATOM 332 HE1 MET A 46 30.762 5.103 -13.261 1.00 0.00 H ATOM 333 HE2 MET A 46 31.699 5.901 -11.974 1.00 0.00 H ATOM 334 HE3 MET A 46 32.483 4.706 -13.036 1.00 0.00 H ATOM 335 H MET A 46 25.920 5.128 -12.704 1.00 0.00 H ATOM 336 N PHE A 47 27.355 6.364 -9.176 1.00 15.03 N ATOM 337 CA PHE A 47 27.298 7.709 -8.574 1.00 14.52 C ATOM 338 C PHE A 47 28.317 7.862 -7.464 1.00 14.49 C ATOM 339 O PHE A 47 28.778 6.878 -6.907 1.00 15.27 O ATOM 340 CB PHE A 47 25.909 7.954 -7.960 1.00 14.52 C ATOM 341 CG PHE A 47 24.782 7.861 -8.948 1.00 15.15 C ATOM 342 CD1 PHE A 47 24.412 8.965 -9.718 1.00 15.95 C ATOM 343 CD2 PHE A 47 24.104 6.651 -9.134 1.00 14.70 C ATOM 344 CE1 PHE A 47 23.392 8.862 -10.651 1.00 15.60 C ATOM 345 CE2 PHE A 47 23.073 6.550 -10.057 1.00 15.60 C ATOM 346 CZ PHE A 47 22.711 7.649 -10.808 1.00 15.16 C ATOM 347 HA PHE A 47 27.508 8.425 -9.369 1.00 0.00 H ATOM 348 HB2 PHE A 47 25.743 7.212 -7.179 1.00 0.00 H ATOM 349 HB3 PHE A 47 25.899 8.951 -7.520 1.00 0.00 H ATOM 350 HD2 PHE A 47 24.389 5.778 -8.547 1.00 0.00 H ATOM 351 HE2 PHE A 47 22.550 5.603 -10.189 1.00 0.00 H ATOM 352 HZ PHE A 47 21.893 7.573 -11.525 1.00 0.00 H ATOM 353 HE1 PHE A 47 23.121 9.724 -11.261 1.00 0.00 H ATOM 354 HD1 PHE A 47 24.929 9.915 -9.585 1.00 0.00 H ATOM 355 H PHE A 47 27.550 5.546 -8.564 1.00 0.00 H ATOM 356 N THR A 48 28.643 9.103 -7.114 1.00 14.15 N ATOM 357 CA THR A 48 29.328 9.358 -5.852 1.00 13.55 C ATOM 358 C THR A 48 28.268 9.365 -4.734 1.00 12.48 C ATOM 359 O THR A 48 27.078 9.554 -5.006 1.00 11.86 O ATOM 360 CB THR A 48 30.053 10.719 -5.867 1.00 13.77 C ATOM 361 OG1 THR A 48 29.069 11.747 -6.009 1.00 14.26 O ATOM 362 CG2 THR A 48 31.046 10.814 -7.039 1.00 15.93 C ATOM 363 HA THR A 48 30.077 8.583 -5.689 1.00 0.00 H ATOM 364 HB THR A 48 30.613 10.830 -4.938 1.00 0.00 H ATOM 365 HG1 THR A 48 29.516 12.630 -6.021 1.00 0.00 H ATOM 366 HG23 THR A 48 31.800 10.033 -6.939 1.00 0.00 H ATOM 367 HG21 THR A 48 30.510 10.684 -7.979 1.00 0.00 H ATOM 368 HG22 THR A 48 31.529 11.791 -7.026 1.00 0.00 H ATOM 369 H THR A 48 28.408 9.896 -7.744 1.00 0.00 H ATOM 370 N VAL A 49 28.672 9.188 -3.481 1.00 12.77 N ATOM 371 CA VAL A 49 27.714 9.297 -2.386 1.00 12.62 C ATOM 372 C VAL A 49 27.093 10.695 -2.351 1.00 12.31 C ATOM 373 O VAL A 49 25.905 10.837 -2.084 1.00 11.07 O ATOM 374 CB VAL A 49 28.349 8.910 -1.038 1.00 13.13 C ATOM 375 CG1 VAL A 49 27.392 9.156 0.116 1.00 15.02 C ATOM 376 CG2 VAL A 49 28.770 7.441 -1.082 1.00 15.13 C ATOM 377 HA VAL A 49 26.909 8.584 -2.566 1.00 0.00 H ATOM 378 HB VAL A 49 29.226 9.536 -0.872 1.00 0.00 H ATOM 379 HG11 VAL A 49 27.128 10.213 0.148 1.00 0.00 H ATOM 380 HG12 VAL A 49 26.491 8.559 -0.027 1.00 0.00 H ATOM 381 HG13 VAL A 49 27.873 8.872 1.052 1.00 0.00 H ATOM 382 HG21 VAL A 49 27.894 6.819 -1.266 1.00 0.00 H ATOM 383 HG22 VAL A 49 29.495 7.296 -1.883 1.00 0.00 H ATOM 384 HG23 VAL A 49 29.220 7.165 -0.128 1.00 0.00 H ATOM 385 H VAL A 49 29.669 8.972 -3.281 1.00 0.00 H ATOM 386 N LYS A 50 27.894 11.723 -2.626 1.00 11.97 N ATOM 387 CA LYS A 50 27.370 13.093 -2.715 1.00 12.47 C ATOM 388 C LYS A 50 26.207 13.195 -3.726 1.00 11.62 C ATOM 389 O LYS A 50 25.189 13.820 -3.448 1.00 10.49 O ATOM 390 CB LYS A 50 28.511 14.044 -3.093 1.00 13.26 C ATOM 391 CG LYS A 50 28.174 15.521 -3.066 1.00 15.23 C ATOM 392 CD LYS A 50 29.442 16.347 -3.396 1.00 15.72 C ATOM 393 CE LYS A 50 29.184 17.830 -3.305 1.00 22.09 C ATOM 394 NZ LYS A 50 28.298 18.286 -4.387 1.00 23.83 N ATOM 395 HA LYS A 50 26.968 13.377 -1.743 1.00 0.00 H ATOM 396 HB2 LYS A 50 29.332 13.875 -2.396 1.00 0.00 H ATOM 397 HB3 LYS A 50 28.835 13.793 -4.103 1.00 0.00 H ATOM 398 HG2 LYS A 50 27.401 15.731 -3.805 1.00 0.00 H ATOM 399 HG3 LYS A 50 27.811 15.793 -2.075 1.00 0.00 H ATOM 400 HD2 LYS A 50 30.230 16.082 -2.691 1.00 0.00 H ATOM 401 HD3 LYS A 50 29.766 16.107 -4.408 1.00 0.00 H ATOM 402 HE2 LYS A 50 30.133 18.361 -3.376 1.00 0.00 H ATOM 403 HE3 LYS A 50 28.716 18.051 -2.346 1.00 0.00 H ATOM 404 HZ1 LYS A 50 28.741 18.083 -5.305 1.00 0.00 H ATOM 405 HZ2 LYS A 50 27.388 17.787 -4.322 1.00 0.00 H ATOM 406 HZ3 LYS A 50 28.140 19.310 -4.296 1.00 0.00 H ATOM 407 H LYS A 50 28.908 11.553 -2.780 1.00 0.00 H ATOM 408 N GLU A 51 26.355 12.580 -4.892 1.00 11.38 N ATOM 409 CA GLU A 51 25.288 12.576 -5.892 1.00 11.60 C ATOM 410 C GLU A 51 24.045 11.816 -5.405 1.00 10.31 C ATOM 411 O GLU A 51 22.923 12.255 -5.641 1.00 9.81 O ATOM 412 CB GLU A 51 25.806 11.967 -7.195 1.00 12.07 C ATOM 413 CG GLU A 51 26.713 12.917 -7.971 1.00 14.15 C ATOM 414 CD GLU A 51 27.463 12.255 -9.125 1.00 16.57 C ATOM 415 OE1 GLU A 51 27.640 11.019 -9.141 1.00 17.77 O ATOM 416 OE2 GLU A 51 27.926 13.003 -10.015 1.00 23.28 O ATOM 417 HA GLU A 51 24.987 13.609 -6.064 1.00 0.00 H ATOM 418 HB2 GLU A 51 26.368 11.064 -6.958 1.00 0.00 H ATOM 419 HB3 GLU A 51 24.953 11.709 -7.823 1.00 0.00 H ATOM 420 HG2 GLU A 51 26.100 13.722 -8.377 1.00 0.00 H ATOM 421 HG3 GLU A 51 27.446 13.333 -7.280 1.00 0.00 H ATOM 422 H GLU A 51 27.249 12.090 -5.099 1.00 0.00 H ATOM 423 N VAL A 52 24.238 10.693 -4.728 1.00 9.66 N ATOM 424 CA VAL A 52 23.107 9.927 -4.210 1.00 9.33 C ATOM 425 C VAL A 52 22.335 10.781 -3.203 1.00 9.15 C ATOM 426 O VAL A 52 21.107 10.876 -3.252 1.00 8.40 O ATOM 427 CB VAL A 52 23.568 8.611 -3.544 1.00 9.32 C ATOM 428 CG1 VAL A 52 22.402 7.928 -2.830 1.00 10.01 C ATOM 429 CG2 VAL A 52 24.159 7.654 -4.576 1.00 10.54 C ATOM 430 HA VAL A 52 22.460 9.664 -5.047 1.00 0.00 H ATOM 431 HB VAL A 52 24.337 8.864 -2.814 1.00 0.00 H ATOM 432 HG11 VAL A 52 22.009 8.593 -2.061 1.00 0.00 H ATOM 433 HG12 VAL A 52 21.618 7.702 -3.552 1.00 0.00 H ATOM 434 HG13 VAL A 52 22.751 7.004 -2.369 1.00 0.00 H ATOM 435 HG21 VAL A 52 23.405 7.421 -5.327 1.00 0.00 H ATOM 436 HG22 VAL A 52 25.018 8.124 -5.055 1.00 0.00 H ATOM 437 HG23 VAL A 52 24.475 6.736 -4.080 1.00 0.00 H ATOM 438 H VAL A 52 25.207 10.353 -4.563 1.00 0.00 H ATOM 439 N MET A 53 23.049 11.433 -2.290 1.00 8.82 N ATOM 440 CA MET A 53 22.396 12.290 -1.321 1.00 9.09 C ATOM 441 C MET A 53 21.646 13.420 -2.009 1.00 8.33 C ATOM 442 O MET A 53 20.522 13.750 -1.622 1.00 8.29 O ATOM 443 CB MET A 53 23.421 12.871 -0.337 1.00 9.85 C ATOM 444 CG MET A 53 24.003 11.824 0.614 1.00 11.83 C ATOM 445 SD MET A 53 22.812 11.064 1.751 1.00 13.09 S ATOM 446 CE MET A 53 22.450 12.481 2.820 1.00 14.20 C ATOM 447 HA MET A 53 21.679 11.682 -0.770 1.00 0.00 H ATOM 448 HB2 MET A 53 24.238 13.313 -0.908 1.00 0.00 H ATOM 449 HB3 MET A 53 22.933 13.645 0.256 1.00 0.00 H ATOM 450 HG2 MET A 53 24.779 12.304 1.210 1.00 0.00 H ATOM 451 HG3 MET A 53 24.447 11.031 0.012 1.00 0.00 H ATOM 452 HE1 MET A 53 23.369 12.817 3.300 1.00 0.00 H ATOM 453 HE2 MET A 53 22.035 13.291 2.220 1.00 0.00 H ATOM 454 HE3 MET A 53 21.728 12.185 3.581 1.00 0.00 H ATOM 455 H MET A 53 24.083 11.327 -2.271 1.00 0.00 H ATOM 456 N HIS A 54 22.280 14.004 -3.029 1.00 8.46 N ATOM 457 CA HIS A 54 21.635 15.089 -3.749 1.00 8.07 C ATOM 458 C HIS A 54 20.301 14.648 -4.349 1.00 8.25 C ATOM 459 O HIS A 54 19.281 15.314 -4.162 1.00 8.10 O ATOM 460 CB HIS A 54 22.540 15.606 -4.864 1.00 8.68 C ATOM 461 CG HIS A 54 21.867 16.617 -5.740 1.00 9.09 C ATOM 462 ND1 HIS A 54 21.734 17.941 -5.366 1.00 11.63 N ATOM 463 CD2 HIS A 54 21.248 16.498 -6.940 1.00 9.03 C ATOM 464 CE1 HIS A 54 21.061 18.592 -6.301 1.00 11.35 C ATOM 465 NE2 HIS A 54 20.772 17.746 -7.278 1.00 10.35 N ATOM 466 HA HIS A 54 21.448 15.887 -3.030 1.00 0.00 H ATOM 467 HB2 HIS A 54 23.419 16.066 -4.413 1.00 0.00 H ATOM 468 HB3 HIS A 54 22.849 14.762 -5.481 1.00 0.00 H ATOM 469 HD2 HIS A 54 21.146 15.586 -7.528 1.00 0.00 H ATOM 470 HE1 HIS A 54 20.790 19.647 -6.272 1.00 0.00 H ATOM 471 H HIS A 54 23.230 13.684 -3.306 1.00 0.00 H ATOM 472 N TYR A 55 20.295 13.505 -5.035 1.00 8.03 N ATOM 473 CA TYR A 55 19.058 13.067 -5.679 1.00 8.69 C ATOM 474 C TYR A 55 18.018 12.520 -4.712 1.00 8.72 C ATOM 475 O TYR A 55 16.831 12.613 -4.995 1.00 8.76 O ATOM 476 CB TYR A 55 19.336 12.143 -6.874 1.00 9.59 C ATOM 477 CG TYR A 55 19.842 12.927 -8.066 1.00 9.42 C ATOM 478 CD1 TYR A 55 18.974 13.766 -8.765 1.00 10.37 C ATOM 479 CD2 TYR A 55 21.179 12.882 -8.456 1.00 10.50 C ATOM 480 CE1 TYR A 55 19.433 14.533 -9.838 1.00 10.42 C ATOM 481 CE2 TYR A 55 21.642 13.638 -9.544 1.00 11.94 C ATOM 482 CZ TYR A 55 20.757 14.451 -10.209 1.00 11.44 C ATOM 483 OH TYR A 55 21.226 15.197 -11.288 1.00 13.77 O ATOM 484 HA TYR A 55 18.591 13.965 -6.084 1.00 0.00 H ATOM 485 HB3 TYR A 55 18.414 11.631 -7.150 1.00 0.00 H ATOM 486 HB2 TYR A 55 20.087 11.407 -6.587 1.00 0.00 H ATOM 487 HD2 TYR A 55 21.877 12.249 -7.907 1.00 0.00 H ATOM 488 HE2 TYR A 55 22.685 13.581 -9.856 1.00 0.00 H ATOM 489 HE1 TYR A 55 18.750 15.190 -10.377 1.00 0.00 H ATOM 490 HD1 TYR A 55 17.926 13.824 -8.470 1.00 0.00 H ATOM 491 HH TYR A 55 20.483 15.731 -11.666 1.00 0.00 H ATOM 492 H TYR A 55 21.160 12.932 -5.111 1.00 0.00 H ATOM 493 N LEU A 56 18.429 12.003 -3.547 1.00 8.42 N ATOM 494 CA LEU A 56 17.435 11.695 -2.526 1.00 9.35 C ATOM 495 C LEU A 56 16.695 12.942 -2.054 1.00 8.94 C ATOM 496 O LEU A 56 15.482 12.929 -1.881 1.00 9.21 O ATOM 497 CB LEU A 56 18.074 10.983 -1.340 1.00 11.07 C ATOM 498 CG LEU A 56 18.296 9.492 -1.548 1.00 12.44 C ATOM 499 CD1 LEU A 56 19.231 8.957 -0.455 1.00 15.40 C ATOM 500 CD2 LEU A 56 16.970 8.727 -1.568 1.00 16.35 C ATOM 501 HA LEU A 56 16.705 11.029 -2.985 1.00 0.00 H ATOM 502 HB2 LEU A 56 19.040 11.448 -1.143 1.00 0.00 H ATOM 503 HB3 LEU A 56 17.426 11.114 -0.474 1.00 0.00 H ATOM 504 HG LEU A 56 18.764 9.339 -2.520 1.00 0.00 H ATOM 505 HD21 LEU A 56 16.454 8.871 -0.619 1.00 0.00 H ATOM 506 HD22 LEU A 56 16.348 9.101 -2.381 1.00 0.00 H ATOM 507 HD23 LEU A 56 17.167 7.665 -1.718 1.00 0.00 H ATOM 508 HD11 LEU A 56 20.187 9.478 -0.509 1.00 0.00 H ATOM 509 HD12 LEU A 56 18.779 9.125 0.522 1.00 0.00 H ATOM 510 HD13 LEU A 56 19.389 7.889 -0.605 1.00 0.00 H ATOM 511 H LEU A 56 19.439 11.824 -3.374 1.00 0.00 H ATOM 512 N GLY A 57 17.427 14.040 -1.837 1.00 8.77 N ATOM 513 CA GLY A 57 16.791 15.312 -1.481 1.00 8.20 C ATOM 514 C GLY A 57 15.846 15.788 -2.583 1.00 7.39 C ATOM 515 O GLY A 57 14.734 16.262 -2.312 1.00 8.00 O ATOM 516 HA3 GLY A 57 17.564 16.065 -1.326 1.00 0.00 H ATOM 517 HA2 GLY A 57 16.224 15.180 -0.559 1.00 0.00 H ATOM 518 H GLY A 57 18.462 13.991 -1.922 1.00 0.00 H ATOM 519 N GLN A 58 16.291 15.648 -3.838 1.00 8.11 N ATOM 520 CA GLN A 58 15.441 16.063 -4.955 1.00 7.74 C ATOM 521 C GLN A 58 14.171 15.220 -5.052 1.00 8.51 C ATOM 522 O GLN A 58 13.112 15.726 -5.412 1.00 9.49 O ATOM 523 CB GLN A 58 16.212 15.965 -6.268 1.00 8.70 C ATOM 524 CG GLN A 58 17.343 16.968 -6.403 1.00 8.67 C ATOM 525 CD GLN A 58 16.844 18.403 -6.324 1.00 8.96 C ATOM 526 OE1 GLN A 58 15.932 18.788 -7.078 1.00 10.05 O ATOM 527 NE2 GLN A 58 17.429 19.202 -5.422 1.00 9.84 N ATOM 528 HA GLN A 58 15.149 17.097 -4.770 1.00 0.00 H ATOM 529 HB2 GLN A 58 16.633 14.963 -6.343 1.00 0.00 H ATOM 530 HB3 GLN A 58 15.512 16.126 -7.088 1.00 0.00 H ATOM 531 HG2 GLN A 58 18.061 16.800 -5.600 1.00 0.00 H ATOM 532 HG3 GLN A 58 17.834 16.818 -7.365 1.00 0.00 H ATOM 533 HE22 GLN A 58 18.188 18.832 -4.814 1.00 0.00 H ATOM 534 HE21 GLN A 58 17.124 20.192 -5.329 1.00 0.00 H ATOM 535 H GLN A 58 17.234 15.247 -4.018 1.00 0.00 H ATOM 536 N TYR A 59 14.282 13.930 -4.720 1.00 7.97 N ATOM 537 CA TYR A 59 13.123 13.026 -4.706 1.00 8.37 C ATOM 538 C TYR A 59 12.097 13.438 -3.668 1.00 8.34 C ATOM 539 O TYR A 59 10.887 13.485 -3.930 1.00 8.91 O ATOM 540 CB TYR A 59 13.576 11.596 -4.423 1.00 9.26 C ATOM 541 CG TYR A 59 12.463 10.592 -4.405 1.00 10.26 C ATOM 542 CD1 TYR A 59 11.990 10.024 -5.600 1.00 10.32 C ATOM 543 CD2 TYR A 59 11.900 10.168 -3.197 1.00 10.34 C ATOM 544 CE1 TYR A 59 10.975 9.063 -5.589 1.00 11.59 C ATOM 545 CE2 TYR A 59 10.879 9.203 -3.184 1.00 11.14 C ATOM 546 CZ TYR A 59 10.441 8.662 -4.382 1.00 11.69 C ATOM 547 OH TYR A 59 9.433 7.693 -4.376 1.00 13.64 O ATOM 548 HA TYR A 59 12.656 13.083 -5.689 1.00 0.00 H ATOM 549 HB3 TYR A 59 14.068 11.579 -3.451 1.00 0.00 H ATOM 550 HB2 TYR A 59 14.288 11.304 -5.194 1.00 0.00 H ATOM 551 HD2 TYR A 59 12.256 10.590 -2.257 1.00 0.00 H ATOM 552 HE2 TYR A 59 10.436 8.883 -2.241 1.00 0.00 H ATOM 553 HE1 TYR A 59 10.610 8.636 -6.523 1.00 0.00 H ATOM 554 HD1 TYR A 59 12.421 10.338 -6.551 1.00 0.00 H ATOM 555 HH TYR A 59 8.615 8.072 -3.967 1.00 0.00 H ATOM 556 H TYR A 59 15.217 13.554 -4.464 1.00 0.00 H ATOM 557 N ILE A 60 12.575 13.746 -2.465 1.00 8.46 N ATOM 558 CA ILE A 60 11.702 14.180 -1.382 1.00 9.10 C ATOM 559 C ILE A 60 10.933 15.430 -1.799 1.00 9.43 C ATOM 560 O ILE A 60 9.758 15.591 -1.467 1.00 10.13 O ATOM 561 CB ILE A 60 12.517 14.352 -0.061 1.00 9.53 C ATOM 562 CG1 ILE A 60 12.907 12.956 0.452 1.00 9.46 C ATOM 563 CG2 ILE A 60 11.722 15.150 0.977 1.00 9.23 C ATOM 564 CD1 ILE A 60 14.088 12.969 1.449 1.00 10.39 C ATOM 565 HA ILE A 60 10.954 13.414 -1.175 1.00 0.00 H ATOM 566 HB ILE A 60 13.424 14.925 -0.252 1.00 0.00 H ATOM 567 HG12 ILE A 60 12.042 12.517 0.949 1.00 0.00 H ATOM 568 HG13 ILE A 60 13.185 12.340 -0.403 1.00 0.00 H ATOM 569 HD11 ILE A 60 14.966 13.395 0.964 1.00 0.00 H ATOM 570 HD12 ILE A 60 13.822 13.572 2.317 1.00 0.00 H ATOM 571 HD13 ILE A 60 14.305 11.949 1.766 1.00 0.00 H ATOM 572 HG21 ILE A 60 11.493 16.138 0.577 1.00 0.00 H ATOM 573 HG22 ILE A 60 10.794 14.625 1.205 1.00 0.00 H ATOM 574 HG23 ILE A 60 12.315 15.253 1.886 1.00 0.00 H ATOM 575 H ILE A 60 13.598 13.675 -2.293 1.00 0.00 H ATOM 576 N MET A 61 11.584 16.302 -2.567 1.00 10.53 N ATOM 577 CA MET A 61 10.877 17.490 -3.057 1.00 10.18 C ATOM 578 C MET A 61 9.942 17.229 -4.231 1.00 11.00 C ATOM 579 O MET A 61 8.830 17.762 -4.221 1.00 11.98 O ATOM 580 CB MET A 61 11.811 18.644 -3.378 1.00 9.92 C ATOM 581 CG MET A 61 12.601 19.102 -2.194 1.00 9.17 C ATOM 582 SD MET A 61 13.328 20.708 -2.470 1.00 9.47 S ATOM 583 CE MET A 61 14.337 20.350 -3.913 1.00 10.04 C ATOM 584 HA MET A 61 10.249 17.778 -2.214 1.00 0.00 H ATOM 585 HB2 MET A 61 12.504 18.324 -4.156 1.00 0.00 H ATOM 586 HB3 MET A 61 11.217 19.481 -3.744 1.00 0.00 H ATOM 587 HG2 MET A 61 13.396 18.382 -1.999 1.00 0.00 H ATOM 588 HG3 MET A 61 11.941 19.156 -1.328 1.00 0.00 H ATOM 589 HE1 MET A 61 15.060 19.573 -3.665 1.00 0.00 H ATOM 590 HE2 MET A 61 13.697 20.007 -4.726 1.00 0.00 H ATOM 591 HE3 MET A 61 14.864 21.254 -4.220 1.00 0.00 H ATOM 592 H MET A 61 12.581 16.143 -2.816 1.00 0.00 H ATOM 593 N VAL A 62 10.324 16.379 -5.187 1.00 11.61 N ATOM 594 CA VAL A 62 9.428 15.976 -6.303 1.00 13.20 C ATOM 595 C VAL A 62 8.143 15.341 -5.777 1.00 13.76 C ATOM 596 O VAL A 62 7.028 15.632 -6.264 1.00 15.19 O ATOM 597 CB VAL A 62 10.154 14.955 -7.234 1.00 13.80 C ATOM 598 CG1 VAL A 62 9.139 14.179 -8.134 1.00 16.48 C ATOM 599 CG2 VAL A 62 11.211 15.646 -8.058 1.00 15.28 C ATOM 600 HA VAL A 62 9.174 16.875 -6.864 1.00 0.00 H ATOM 601 HB VAL A 62 10.650 14.217 -6.604 1.00 0.00 H ATOM 602 HG11 VAL A 62 8.438 13.633 -7.502 1.00 0.00 H ATOM 603 HG12 VAL A 62 8.593 14.887 -8.757 1.00 0.00 H ATOM 604 HG13 VAL A 62 9.681 13.477 -8.769 1.00 0.00 H ATOM 605 HG21 VAL A 62 10.745 16.416 -8.673 1.00 0.00 H ATOM 606 HG22 VAL A 62 11.945 16.104 -7.395 1.00 0.00 H ATOM 607 HG23 VAL A 62 11.705 14.916 -8.700 1.00 0.00 H ATOM 608 H VAL A 62 11.285 15.984 -5.150 1.00 0.00 H ATOM 609 N LYS A 63 8.284 14.464 -4.794 1.00 13.05 N ATOM 610 CA LYS A 63 7.141 13.739 -4.233 1.00 14.10 C ATOM 611 C LYS A 63 6.449 14.508 -3.113 1.00 13.93 C ATOM 612 O LYS A 63 5.441 14.045 -2.561 1.00 14.87 O ATOM 613 CB LYS A 63 7.583 12.360 -3.728 1.00 14.86 C ATOM 614 CG LYS A 63 8.156 11.435 -4.793 1.00 17.40 C ATOM 615 CD LYS A 63 7.143 11.125 -5.904 1.00 21.25 C ATOM 616 CE LYS A 63 6.090 10.104 -5.485 1.00 24.91 C ATOM 617 NZ LYS A 63 6.600 8.693 -5.417 1.00 27.22 N ATOM 618 HA LYS A 63 6.415 13.621 -5.038 1.00 0.00 H ATOM 619 HB2 LYS A 63 8.346 12.509 -2.964 1.00 0.00 H ATOM 620 HB3 LYS A 63 6.717 11.869 -3.285 1.00 0.00 H ATOM 621 HG2 LYS A 63 9.029 11.912 -5.238 1.00 0.00 H ATOM 622 HG3 LYS A 63 8.455 10.499 -4.321 1.00 0.00 H ATOM 623 HD2 LYS A 63 6.638 12.050 -6.182 1.00 0.00 H ATOM 624 HD3 LYS A 63 7.682 10.734 -6.767 1.00 0.00 H ATOM 625 HE2 LYS A 63 5.273 10.139 -6.205 1.00 0.00 H ATOM 626 HE3 LYS A 63 5.716 10.382 -4.499 1.00 0.00 H ATOM 627 HZ1 LYS A 63 6.950 8.407 -6.353 1.00 0.00 H ATOM 628 HZ2 LYS A 63 7.374 8.638 -4.724 1.00 0.00 H ATOM 629 HZ3 LYS A 63 5.828 8.060 -5.126 1.00 0.00 H ATOM 630 H LYS A 63 9.234 14.285 -4.409 1.00 0.00 H ATOM 631 N GLN A 64 7.004 15.667 -2.751 1.00 13.87 N ATOM 632 CA GLN A 64 6.443 16.530 -1.713 1.00 14.55 C ATOM 633 C GLN A 64 6.224 15.769 -0.409 1.00 13.83 C ATOM 634 O GLN A 64 5.146 15.770 0.188 1.00 15.29 O ATOM 635 CB GLN A 64 5.173 17.239 -2.220 1.00 15.99 C ATOM 636 CG GLN A 64 5.500 18.209 -3.353 1.00 19.21 C ATOM 637 CD GLN A 64 6.093 19.513 -2.841 1.00 23.73 C ATOM 638 OE1 GLN A 64 5.401 20.314 -2.199 1.00 27.65 O ATOM 639 NE2 GLN A 64 7.377 19.732 -3.114 1.00 23.62 N ATOM 640 HA GLN A 64 7.168 17.311 -1.484 1.00 0.00 H ATOM 641 HB2 GLN A 64 4.468 16.491 -2.584 1.00 0.00 H ATOM 642 HB3 GLN A 64 4.721 17.792 -1.397 1.00 0.00 H ATOM 643 HG2 GLN A 64 6.217 17.736 -4.024 1.00 0.00 H ATOM 644 HG3 GLN A 64 4.584 18.431 -3.901 1.00 0.00 H ATOM 645 HE22 GLN A 64 7.920 19.031 -3.657 1.00 0.00 H ATOM 646 HE21 GLN A 64 7.837 20.604 -2.784 1.00 0.00 H ATOM 647 H GLN A 64 7.876 15.970 -3.230 1.00 0.00 H ATOM 648 N LEU A 65 7.291 15.136 0.058 1.00 12.31 N ATOM 649 CA LEU A 65 7.180 14.297 1.236 1.00 12.15 C ATOM 650 C LEU A 65 7.497 15.017 2.536 1.00 11.27 C ATOM 651 O LEU A 65 7.165 14.520 3.610 1.00 12.59 O ATOM 652 CB LEU A 65 8.058 13.052 1.110 1.00 11.80 C ATOM 653 CG LEU A 65 7.819 12.123 -0.081 1.00 12.40 C ATOM 654 CD1 LEU A 65 8.825 10.977 -0.103 1.00 14.62 C ATOM 655 CD2 LEU A 65 6.383 11.582 -0.062 1.00 14.24 C ATOM 656 HA LEU A 65 6.130 14.007 1.284 1.00 0.00 H ATOM 657 HB2 LEU A 65 9.093 13.389 1.056 1.00 0.00 H ATOM 658 HB3 LEU A 65 7.916 12.462 2.015 1.00 0.00 H ATOM 659 HG LEU A 65 7.959 12.705 -0.992 1.00 0.00 H ATOM 660 HD21 LEU A 65 6.218 11.025 0.860 1.00 0.00 H ATOM 661 HD22 LEU A 65 5.682 12.415 -0.116 1.00 0.00 H ATOM 662 HD23 LEU A 65 6.233 10.923 -0.917 1.00 0.00 H ATOM 663 HD11 LEU A 65 9.834 11.382 -0.177 1.00 0.00 H ATOM 664 HD12 LEU A 65 8.732 10.396 0.814 1.00 0.00 H ATOM 665 HD13 LEU A 65 8.626 10.337 -0.962 1.00 0.00 H ATOM 666 H LEU A 65 8.208 15.241 -0.421 1.00 0.00 H ATOM 667 N TYR A 66 8.137 16.175 2.459 1.00 10.67 N ATOM 668 CA TYR A 66 8.470 16.918 3.661 1.00 10.92 C ATOM 669 C TYR A 66 7.252 17.720 4.126 1.00 11.46 C ATOM 670 O TYR A 66 6.363 18.043 3.329 1.00 12.13 O ATOM 671 CB TYR A 66 9.685 17.827 3.438 1.00 11.36 C ATOM 672 CG TYR A 66 9.466 18.945 2.452 1.00 11.99 C ATOM 673 CD1 TYR A 66 9.000 20.187 2.870 1.00 13.44 C ATOM 674 CD2 TYR A 66 9.735 18.764 1.098 1.00 13.37 C ATOM 675 CE1 TYR A 66 8.794 21.216 1.971 1.00 14.77 C ATOM 676 CE2 TYR A 66 9.531 19.794 0.182 1.00 16.73 C ATOM 677 CZ TYR A 66 9.057 21.013 0.631 1.00 15.45 C ATOM 678 OH TYR A 66 8.877 22.030 -0.286 1.00 18.72 O ATOM 679 HA TYR A 66 8.742 16.211 4.444 1.00 0.00 H ATOM 680 HB3 TYR A 66 10.508 17.211 3.075 1.00 0.00 H ATOM 681 HB2 TYR A 66 9.959 18.269 4.396 1.00 0.00 H ATOM 682 HD2 TYR A 66 10.111 17.802 0.749 1.00 0.00 H ATOM 683 HE2 TYR A 66 9.743 19.641 -0.876 1.00 0.00 H ATOM 684 HE1 TYR A 66 8.426 22.182 2.318 1.00 0.00 H ATOM 685 HD1 TYR A 66 8.793 20.352 3.927 1.00 0.00 H ATOM 686 HH TYR A 66 8.536 22.835 0.178 1.00 0.00 H ATOM 687 H TYR A 66 8.403 16.555 1.528 1.00 0.00 H ATOM 688 N ASP A 67 7.215 18.046 5.412 1.00 11.25 N ATOM 689 CA ASP A 67 6.124 18.841 5.968 1.00 11.94 C ATOM 690 C ASP A 67 6.410 20.310 5.676 1.00 12.39 C ATOM 691 O ASP A 67 7.369 20.867 6.172 1.00 12.05 O ATOM 692 CB ASP A 67 6.065 18.590 7.477 1.00 11.64 C ATOM 693 CG ASP A 67 4.863 19.240 8.156 1.00 14.38 C ATOM 694 OD1 ASP A 67 4.247 20.166 7.587 1.00 14.66 O ATOM 695 OD2 ASP A 67 4.556 18.795 9.288 1.00 14.40 O ATOM 696 HA ASP A 67 5.166 18.568 5.526 1.00 0.00 H ATOM 697 HB2 ASP A 67 6.017 17.514 7.646 1.00 0.00 H ATOM 698 HB3 ASP A 67 6.974 18.988 7.929 1.00 0.00 H ATOM 699 H ASP A 67 7.981 17.728 6.039 1.00 0.00 H ATOM 700 N GLN A 68 5.536 20.951 4.901 1.00 13.84 N ATOM 701 CA GLN A 68 5.688 22.378 4.605 1.00 15.62 C ATOM 702 C GLN A 68 5.773 23.235 5.851 1.00 15.43 C ATOM 703 O GLN A 68 6.376 24.304 5.822 1.00 16.26 O ATOM 704 CB GLN A 68 4.528 22.859 3.738 1.00 16.98 C ATOM 705 CG GLN A 68 4.532 22.285 2.327 1.00 21.80 C ATOM 706 CD GLN A 68 5.445 23.040 1.368 1.00 26.31 C ATOM 707 OE1 GLN A 68 6.000 24.091 1.707 1.00 27.59 O ATOM 708 NE2 GLN A 68 5.598 22.505 0.152 1.00 29.93 N ATOM 709 HA GLN A 68 6.632 22.487 4.071 1.00 0.00 H ATOM 710 HB2 GLN A 68 3.595 22.572 4.223 1.00 0.00 H ATOM 711 HB3 GLN A 68 4.580 23.945 3.667 1.00 0.00 H ATOM 712 HG2 GLN A 68 4.864 21.248 2.377 1.00 0.00 H ATOM 713 HG3 GLN A 68 3.515 22.321 1.936 1.00 0.00 H ATOM 714 HE22 GLN A 68 5.112 21.618 -0.091 1.00 0.00 H ATOM 715 HE21 GLN A 68 6.203 22.976 -0.551 1.00 0.00 H ATOM 716 H GLN A 68 4.731 20.429 4.499 1.00 0.00 H ATOM 717 N GLN A 69 5.159 22.772 6.950 1.00 15.57 N ATOM 718 CA GLN A 69 5.150 23.523 8.209 1.00 15.82 C ATOM 719 C GLN A 69 6.166 23.069 9.252 1.00 16.32 C ATOM 720 O GLN A 69 6.232 23.625 10.351 1.00 17.01 O ATOM 721 CB GLN A 69 3.736 23.541 8.825 1.00 16.04 C ATOM 722 CG GLN A 69 2.683 24.134 7.911 1.00 17.65 C ATOM 723 CD GLN A 69 3.072 25.486 7.335 1.00 18.11 C ATOM 724 OE1 GLN A 69 2.974 25.692 6.131 1.00 22.54 O ATOM 725 NE2 GLN A 69 3.506 26.396 8.190 1.00 20.01 N ATOM 726 HA GLN A 69 5.458 24.530 7.926 1.00 0.00 H ATOM 727 HB2 GLN A 69 3.450 22.516 9.061 1.00 0.00 H ATOM 728 HB3 GLN A 69 3.767 24.129 9.742 1.00 0.00 H ATOM 729 HG2 GLN A 69 2.513 23.443 7.085 1.00 0.00 H ATOM 730 HG3 GLN A 69 1.760 24.253 8.479 1.00 0.00 H ATOM 731 HE22 GLN A 69 3.570 26.169 9.203 1.00 0.00 H ATOM 732 HE21 GLN A 69 3.783 27.339 7.850 1.00 0.00 H ATOM 733 H GLN A 69 4.675 21.853 6.908 1.00 0.00 H ATOM 734 N GLU A 70 6.978 22.067 8.905 1.00 15.53 N ATOM 735 CA GLU A 70 8.054 21.601 9.781 1.00 15.30 C ATOM 736 C GLU A 70 9.051 20.884 8.870 1.00 13.94 C ATOM 737 O GLU A 70 9.017 19.661 8.735 1.00 13.61 O ATOM 738 CB GLU A 70 7.502 20.645 10.839 1.00 16.35 C ATOM 739 CG GLU A 70 8.461 20.316 11.957 1.00 18.11 C ATOM 740 CD GLU A 70 7.716 19.821 13.191 1.00 22.51 C ATOM 741 OE1 GLU A 70 7.077 18.750 13.121 1.00 21.39 O ATOM 742 OE2 GLU A 70 7.741 20.524 14.222 1.00 25.80 O ATOM 743 HA GLU A 70 8.526 22.426 10.315 1.00 0.00 H ATOM 744 HB2 GLU A 70 6.613 21.100 11.277 1.00 0.00 H ATOM 745 HB3 GLU A 70 7.226 19.714 10.344 1.00 0.00 H ATOM 746 HG2 GLU A 70 9.148 19.540 11.620 1.00 0.00 H ATOM 747 HG3 GLU A 70 9.026 21.211 12.217 1.00 0.00 H ATOM 748 H GLU A 70 6.842 21.604 7.984 1.00 0.00 H ATOM 749 N GLN A 71 9.927 21.669 8.236 1.00 13.44 N ATOM 750 CA GLN A 71 10.550 21.235 6.986 1.00 12.60 C ATOM 751 C GLN A 71 11.707 20.240 7.136 1.00 11.67 C ATOM 752 O GLN A 71 12.181 19.720 6.140 1.00 13.03 O ATOM 753 CB GLN A 71 10.909 22.429 6.085 1.00 12.65 C ATOM 754 CG GLN A 71 9.666 23.273 5.689 1.00 14.68 C ATOM 755 CD GLN A 71 9.702 23.844 4.264 1.00 18.20 C ATOM 756 OE1 GLN A 71 10.639 23.615 3.502 1.00 19.74 O ATOM 757 NE2 GLN A 71 8.647 24.578 3.892 1.00 21.28 N ATOM 758 HA GLN A 71 9.778 20.653 6.482 1.00 0.00 H ATOM 759 HB2 GLN A 71 11.611 23.070 6.618 1.00 0.00 H ATOM 760 HB3 GLN A 71 11.380 22.052 5.177 1.00 0.00 H ATOM 761 HG2 GLN A 71 8.783 22.640 5.779 1.00 0.00 H ATOM 762 HG3 GLN A 71 9.586 24.107 6.387 1.00 0.00 H ATOM 763 HE22 GLN A 71 7.872 24.752 4.563 1.00 0.00 H ATOM 764 HE21 GLN A 71 8.602 24.975 2.932 1.00 0.00 H ATOM 765 H GLN A 71 10.168 22.598 8.636 1.00 0.00 H ATOM 766 N HIS A 72 12.120 19.950 8.371 1.00 11.01 N ATOM 767 CA HIS A 72 13.063 18.858 8.594 1.00 10.77 C ATOM 768 C HIS A 72 12.392 17.480 8.703 1.00 10.61 C ATOM 769 O HIS A 72 13.076 16.455 8.692 1.00 10.60 O ATOM 770 CB HIS A 72 13.934 19.129 9.826 1.00 11.69 C ATOM 771 CG HIS A 72 13.172 19.191 11.106 1.00 13.01 C ATOM 772 ND1 HIS A 72 12.920 18.074 11.877 1.00 15.54 N ATOM 773 CD2 HIS A 72 12.624 20.240 11.764 1.00 17.22 C ATOM 774 CE1 HIS A 72 12.235 18.435 12.953 1.00 16.49 C ATOM 775 NE2 HIS A 72 12.051 19.743 12.911 1.00 18.03 N ATOM 776 HA HIS A 72 13.695 18.824 7.707 1.00 0.00 H ATOM 777 HB2 HIS A 72 14.673 18.332 9.905 1.00 0.00 H ATOM 778 HB3 HIS A 72 14.443 20.082 9.683 1.00 0.00 H ATOM 779 HD2 HIS A 72 12.635 21.282 11.445 1.00 0.00 H ATOM 780 HE1 HIS A 72 11.883 17.767 13.739 1.00 0.00 H ATOM 781 H HIS A 72 11.769 20.504 9.178 1.00 0.00 H ATOM 782 N MET A 73 11.056 17.466 8.790 1.00 11.33 N ATOM 783 CA MET A 73 10.315 16.215 8.906 1.00 11.20 C ATOM 784 C MET A 73 9.876 15.684 7.553 1.00 11.01 C ATOM 785 O MET A 73 9.286 16.427 6.766 1.00 11.28 O ATOM 786 CB MET A 73 9.085 16.410 9.795 1.00 12.01 C ATOM 787 CG MET A 73 9.415 16.574 11.276 1.00 13.89 C ATOM 788 SD MET A 73 10.247 15.111 11.979 1.00 16.30 S ATOM 789 CE MET A 73 9.125 13.786 11.543 1.00 19.43 C ATOM 790 HA MET A 73 10.988 15.484 9.354 1.00 0.00 H ATOM 791 HB2 MET A 73 8.556 17.302 9.460 1.00 0.00 H ATOM 792 HB3 MET A 73 8.437 15.541 9.681 1.00 0.00 H ATOM 793 HG2 MET A 73 8.488 16.745 11.823 1.00 0.00 H ATOM 794 HG3 MET A 73 10.069 17.438 11.394 1.00 0.00 H ATOM 795 HE1 MET A 73 8.149 13.976 11.991 1.00 0.00 H ATOM 796 HE2 MET A 73 9.026 13.738 10.459 1.00 0.00 H ATOM 797 HE3 MET A 73 9.519 12.840 11.915 1.00 0.00 H ATOM 798 H MET A 73 10.536 18.366 8.775 1.00 0.00 H ATOM 799 N VAL A 74 10.171 14.412 7.303 1.00 9.93 N ATOM 800 CA VAL A 74 9.847 13.745 6.037 1.00 10.37 C ATOM 801 C VAL A 74 8.870 12.612 6.335 1.00 11.16 C ATOM 802 O VAL A 74 9.130 11.760 7.190 1.00 12.14 O ATOM 803 CB VAL A 74 11.123 13.217 5.343 1.00 10.35 C ATOM 804 CG1 VAL A 74 10.799 12.498 4.007 1.00 11.09 C ATOM 805 CG2 VAL A 74 12.087 14.390 5.085 1.00 11.47 C ATOM 806 HA VAL A 74 9.389 14.456 5.349 1.00 0.00 H ATOM 807 HB VAL A 74 11.589 12.487 6.004 1.00 0.00 H ATOM 808 HG11 VAL A 74 10.140 11.652 4.202 1.00 0.00 H ATOM 809 HG12 VAL A 74 10.306 13.196 3.331 1.00 0.00 H ATOM 810 HG13 VAL A 74 11.724 12.143 3.553 1.00 0.00 H ATOM 811 HG21 VAL A 74 11.600 15.124 4.443 1.00 0.00 H ATOM 812 HG22 VAL A 74 12.354 14.855 6.034 1.00 0.00 H ATOM 813 HG23 VAL A 74 12.987 14.018 4.596 1.00 0.00 H ATOM 814 H VAL A 74 10.655 13.863 8.041 1.00 0.00 H ATOM 815 N TYR A 75 7.721 12.637 5.671 1.00 11.64 N ATOM 816 CA TYR A 75 6.674 11.626 5.874 1.00 12.54 C ATOM 817 C TYR A 75 6.593 10.743 4.648 1.00 13.66 C ATOM 818 O TYR A 75 6.049 11.143 3.617 1.00 15.26 O ATOM 819 CB TYR A 75 5.343 12.308 6.197 1.00 12.94 C ATOM 820 CG TYR A 75 5.384 12.976 7.550 1.00 11.30 C ATOM 821 CD1 TYR A 75 5.729 14.314 7.681 1.00 11.22 C ATOM 822 CD2 TYR A 75 5.115 12.252 8.711 1.00 12.93 C ATOM 823 CE1 TYR A 75 5.788 14.923 8.920 1.00 11.82 C ATOM 824 CE2 TYR A 75 5.177 12.853 9.967 1.00 13.67 C ATOM 825 CZ TYR A 75 5.509 14.193 10.062 1.00 12.63 C ATOM 826 OH TYR A 75 5.577 14.805 11.290 1.00 14.24 O ATOM 827 HA TYR A 75 6.918 10.991 6.726 1.00 0.00 H ATOM 828 HB3 TYR A 75 4.550 11.560 6.194 1.00 0.00 H ATOM 829 HB2 TYR A 75 5.135 13.060 5.436 1.00 0.00 H ATOM 830 HD2 TYR A 75 4.852 11.197 8.635 1.00 0.00 H ATOM 831 HE2 TYR A 75 4.966 12.273 10.866 1.00 0.00 H ATOM 832 HE1 TYR A 75 6.054 15.977 8.998 1.00 0.00 H ATOM 833 HD1 TYR A 75 5.958 14.896 6.788 1.00 0.00 H ATOM 834 HH TYR A 75 5.826 15.756 11.170 1.00 0.00 H ATOM 835 H TYR A 75 7.556 13.399 4.983 1.00 0.00 H ATOM 836 N CYS A 76 7.158 9.548 4.769 1.00 16.21 N ATOM 837 CA CYS A 76 7.384 8.660 3.627 1.00 17.94 C ATOM 838 C CYS A 76 6.530 7.386 3.622 1.00 18.89 C ATOM 839 O CYS A 76 6.744 6.499 2.788 1.00 19.07 O ATOM 840 CB CYS A 76 8.873 8.289 3.561 1.00 18.04 C ATOM 841 SG CYS A 76 9.612 7.816 5.153 1.00 20.85 S ATOM 842 HA CYS A 76 7.073 9.220 2.745 1.00 0.00 H ATOM 843 HB2 CYS A 76 9.420 9.149 3.175 1.00 0.00 H ATOM 844 HB3 CYS A 76 8.984 7.451 2.873 1.00 0.00 H ATOM 845 HG CYS A 76 8.949 6.716 5.657 1.00 0.00 H ATOM 846 H CYS A 76 7.452 9.229 5.714 1.00 0.00 H ATOM 847 N GLY A 77 5.572 7.297 4.548 1.00 19.96 N ATOM 848 CA GLY A 77 4.614 6.174 4.573 1.00 21.72 C ATOM 849 C GLY A 77 3.823 6.096 3.277 1.00 22.26 C ATOM 850 O GLY A 77 3.364 7.111 2.755 1.00 23.57 O ATOM 851 HA3 GLY A 77 3.923 6.315 5.404 1.00 0.00 H ATOM 852 HA2 GLY A 77 5.162 5.242 4.712 1.00 0.00 H ATOM 853 H GLY A 77 5.499 8.040 5.272 1.00 0.00 H ATOM 854 N GLY A 78 3.670 4.894 2.739 1.00 22.94 N ATOM 855 CA GLY A 78 2.990 4.732 1.455 1.00 22.30 C ATOM 856 C GLY A 78 3.806 5.115 0.224 1.00 21.66 C ATOM 857 O GLY A 78 3.308 5.023 -0.900 1.00 22.74 O ATOM 858 HA3 GLY A 78 2.093 5.352 1.469 1.00 0.00 H ATOM 859 HA2 GLY A 78 2.705 3.685 1.356 1.00 0.00 H ATOM 860 H GLY A 78 4.038 4.057 3.236 1.00 0.00 H ATOM 861 N ASP A 79 5.051 5.552 0.425 1.00 19.87 N ATOM 862 CA ASP A 79 6.000 5.764 -0.672 1.00 18.12 C ATOM 863 C ASP A 79 7.046 4.653 -0.678 1.00 17.41 C ATOM 864 O ASP A 79 7.385 4.109 0.373 1.00 16.78 O ATOM 865 CB ASP A 79 6.698 7.122 -0.499 1.00 17.85 C ATOM 866 CG ASP A 79 7.416 7.586 -1.761 1.00 17.84 C ATOM 867 OD1 ASP A 79 6.792 8.309 -2.572 1.00 19.66 O ATOM 868 OD2 ASP A 79 8.598 7.219 -1.961 1.00 16.26 O ATOM 869 HA ASP A 79 5.457 5.752 -1.617 1.00 0.00 H ATOM 870 HB2 ASP A 79 5.949 7.867 -0.231 1.00 0.00 H ATOM 871 HB3 ASP A 79 7.428 7.038 0.306 1.00 0.00 H ATOM 872 H ASP A 79 5.360 5.750 1.398 1.00 0.00 H ATOM 873 N LEU A 80 7.576 4.320 -1.857 1.00 16.65 N ATOM 874 CA LEU A 80 8.683 3.377 -1.944 1.00 16.37 C ATOM 875 C LEU A 80 9.826 3.736 -0.987 1.00 14.80 C ATOM 876 O LEU A 80 10.484 2.856 -0.439 1.00 15.67 O ATOM 877 CB LEU A 80 9.216 3.282 -3.381 1.00 16.15 C ATOM 878 CG LEU A 80 10.402 2.350 -3.655 1.00 16.90 C ATOM 879 CD1 LEU A 80 10.088 0.926 -3.220 1.00 17.90 C ATOM 880 CD2 LEU A 80 10.798 2.397 -5.128 1.00 17.65 C ATOM 881 HA LEU A 80 8.289 2.406 -1.645 1.00 0.00 H ATOM 882 HB2 LEU A 80 8.391 2.949 -4.010 1.00 0.00 H ATOM 883 HB3 LEU A 80 9.518 4.286 -3.681 1.00 0.00 H ATOM 884 HG LEU A 80 11.250 2.700 -3.066 1.00 0.00 H ATOM 885 HD21 LEU A 80 9.953 2.081 -5.740 1.00 0.00 H ATOM 886 HD22 LEU A 80 11.081 3.415 -5.394 1.00 0.00 H ATOM 887 HD23 LEU A 80 11.641 1.728 -5.298 1.00 0.00 H ATOM 888 HD11 LEU A 80 9.872 0.913 -2.152 1.00 0.00 H ATOM 889 HD12 LEU A 80 9.221 0.562 -3.772 1.00 0.00 H ATOM 890 HD13 LEU A 80 10.947 0.287 -3.426 1.00 0.00 H ATOM 891 H LEU A 80 7.192 4.741 -2.727 1.00 0.00 H ATOM 892 N LEU A 81 10.078 5.028 -0.794 1.00 14.08 N ATOM 893 CA LEU A 81 11.143 5.435 0.115 1.00 13.71 C ATOM 894 C LEU A 81 10.909 4.934 1.543 1.00 13.03 C ATOM 895 O LEU A 81 11.834 4.460 2.184 1.00 13.14 O ATOM 896 CB LEU A 81 11.346 6.947 0.082 1.00 13.40 C ATOM 897 CG LEU A 81 12.410 7.530 1.026 1.00 12.63 C ATOM 898 CD1 LEU A 81 13.820 6.985 0.714 1.00 14.52 C ATOM 899 CD2 LEU A 81 12.380 9.069 0.986 1.00 13.88 C ATOM 900 HA LEU A 81 12.061 4.964 -0.237 1.00 0.00 H ATOM 901 HB2 LEU A 81 11.625 7.219 -0.936 1.00 0.00 H ATOM 902 HB3 LEU A 81 10.393 7.412 0.333 1.00 0.00 H ATOM 903 HG LEU A 81 12.167 7.209 2.039 1.00 0.00 H ATOM 904 HD21 LEU A 81 12.582 9.409 -0.030 1.00 0.00 H ATOM 905 HD22 LEU A 81 11.397 9.420 1.299 1.00 0.00 H ATOM 906 HD23 LEU A 81 13.140 9.464 1.660 1.00 0.00 H ATOM 907 HD11 LEU A 81 13.822 5.901 0.826 1.00 0.00 H ATOM 908 HD12 LEU A 81 14.091 7.247 -0.309 1.00 0.00 H ATOM 909 HD13 LEU A 81 14.539 7.424 1.406 1.00 0.00 H ATOM 910 H LEU A 81 9.515 5.748 -1.291 1.00 0.00 H ATOM 911 N GLY A 82 9.666 5.033 2.020 1.00 14.02 N ATOM 912 CA GLY A 82 9.316 4.487 3.337 1.00 15.68 C ATOM 913 C GLY A 82 9.519 2.977 3.432 1.00 16.48 C ATOM 914 O GLY A 82 9.935 2.456 4.476 1.00 16.72 O ATOM 915 HA3 GLY A 82 8.268 4.710 3.538 1.00 0.00 H ATOM 916 HA2 GLY A 82 9.940 4.969 4.090 1.00 0.00 H ATOM 917 H GLY A 82 8.935 5.504 1.450 1.00 0.00 H ATOM 918 N GLU A 83 9.227 2.269 2.343 1.00 17.92 N ATOM 919 CA GLU A 83 9.436 0.821 2.286 1.00 19.38 C ATOM 920 C GLU A 83 10.921 0.457 2.425 1.00 18.88 C ATOM 921 O GLU A 83 11.271 -0.472 3.155 1.00 19.13 O ATOM 922 CB GLU A 83 8.859 0.276 0.980 1.00 20.37 C ATOM 923 CG GLU A 83 8.708 -1.230 0.902 1.00 25.45 C ATOM 924 CD GLU A 83 7.772 -1.660 -0.219 1.00 30.29 C ATOM 925 OE1 GLU A 83 6.964 -0.821 -0.688 1.00 33.38 O ATOM 926 OE2 GLU A 83 7.841 -2.841 -0.629 1.00 33.78 O ATOM 927 HA GLU A 83 8.917 0.362 3.128 1.00 0.00 H ATOM 928 HB2 GLU A 83 7.873 0.719 0.839 1.00 0.00 H ATOM 929 HB3 GLU A 83 9.515 0.589 0.168 1.00 0.00 H ATOM 930 HG2 GLU A 83 9.689 -1.672 0.729 1.00 0.00 H ATOM 931 HG3 GLU A 83 8.310 -1.592 1.850 1.00 0.00 H ATOM 932 H GLU A 83 8.840 2.758 1.510 1.00 0.00 H ATOM 933 N LEU A 84 11.799 1.192 1.740 1.00 18.34 N ATOM 934 CA LEU A 84 13.244 0.965 1.869 1.00 18.48 C ATOM 935 C LEU A 84 13.805 1.340 3.243 1.00 18.40 C ATOM 936 O LEU A 84 14.729 0.696 3.754 1.00 18.04 O ATOM 937 CB LEU A 84 14.006 1.742 0.796 1.00 18.65 C ATOM 938 CG LEU A 84 13.885 1.275 -0.652 1.00 19.79 C ATOM 939 CD1 LEU A 84 14.747 2.166 -1.531 1.00 21.70 C ATOM 940 CD2 LEU A 84 14.329 -0.185 -0.788 1.00 22.10 C ATOM 941 HA LEU A 84 13.385 -0.108 1.742 1.00 0.00 H ATOM 942 HB2 LEU A 84 13.657 2.774 0.834 1.00 0.00 H ATOM 943 HB3 LEU A 84 15.063 1.708 1.060 1.00 0.00 H ATOM 944 HG LEU A 84 12.843 1.343 -0.965 1.00 0.00 H ATOM 945 HD21 LEU A 84 15.368 -0.278 -0.472 1.00 0.00 H ATOM 946 HD22 LEU A 84 13.699 -0.815 -0.160 1.00 0.00 H ATOM 947 HD23 LEU A 84 14.234 -0.497 -1.828 1.00 0.00 H ATOM 948 HD11 LEU A 84 14.405 3.198 -1.446 1.00 0.00 H ATOM 949 HD12 LEU A 84 15.786 2.098 -1.207 1.00 0.00 H ATOM 950 HD13 LEU A 84 14.666 1.839 -2.568 1.00 0.00 H ATOM 951 H LEU A 84 11.454 1.939 1.104 1.00 0.00 H ATOM 952 N LEU A 85 13.270 2.410 3.827 1.00 18.06 N ATOM 953 CA LEU A 85 13.709 2.859 5.149 1.00 19.06 C ATOM 954 C LEU A 85 13.179 1.994 6.284 1.00 19.59 C ATOM 955 O LEU A 85 13.790 1.929 7.360 1.00 20.00 O ATOM 956 CB LEU A 85 13.293 4.316 5.393 1.00 19.22 C ATOM 957 CG LEU A 85 13.885 5.387 4.476 1.00 20.55 C ATOM 958 CD1 LEU A 85 13.202 6.724 4.705 1.00 21.20 C ATOM 959 CD2 LEU A 85 15.385 5.506 4.662 1.00 22.71 C ATOM 960 HA LEU A 85 14.795 2.771 5.147 1.00 0.00 H ATOM 961 HB2 LEU A 85 12.209 4.366 5.295 1.00 0.00 H ATOM 962 HB3 LEU A 85 13.576 4.569 6.415 1.00 0.00 H ATOM 963 HG LEU A 85 13.705 5.082 3.445 1.00 0.00 H ATOM 964 HD21 LEU A 85 15.601 5.776 5.696 1.00 0.00 H ATOM 965 HD22 LEU A 85 15.856 4.551 4.429 1.00 0.00 H ATOM 966 HD23 LEU A 85 15.773 6.276 3.995 1.00 0.00 H ATOM 967 HD11 LEU A 85 12.137 6.627 4.494 1.00 0.00 H ATOM 968 HD12 LEU A 85 13.342 7.029 5.742 1.00 0.00 H ATOM 969 HD13 LEU A 85 13.638 7.472 4.043 1.00 0.00 H ATOM 970 H LEU A 85 12.523 2.939 3.333 1.00 0.00 H ATOM 971 N GLY A 86 12.028 1.367 6.050 1.00 19.66 N ATOM 972 CA GLY A 86 11.303 0.657 7.111 1.00 20.57 C ATOM 973 C GLY A 86 10.652 1.612 8.096 1.00 21.01 C ATOM 974 O GLY A 86 10.483 1.280 9.270 1.00 22.59 O ATOM 975 HA3 GLY A 86 12.004 0.020 7.650 1.00 0.00 H ATOM 976 HA2 GLY A 86 10.529 0.040 6.656 1.00 0.00 H ATOM 977 H GLY A 86 11.631 1.381 5.089 1.00 0.00 H ATOM 978 N ARG A 87 10.285 2.803 7.621 1.00 20.55 N ATOM 979 CA ARG A 87 9.786 3.880 8.482 1.00 20.44 C ATOM 980 C ARG A 87 8.635 4.625 7.818 1.00 19.02 C ATOM 981 O ARG A 87 8.606 4.747 6.592 1.00 18.50 O ATOM 982 CB ARG A 87 10.908 4.900 8.747 1.00 21.14 C ATOM 983 CG ARG A 87 12.121 4.377 9.511 1.00 23.85 C ATOM 984 CD ARG A 87 11.918 4.470 11.009 1.00 28.34 C ATOM 985 NE ARG A 87 11.784 5.855 11.445 1.00 31.10 N ATOM 986 CZ ARG A 87 12.604 6.470 12.293 1.00 32.18 C ATOM 987 NH1 ARG A 87 13.633 5.825 12.834 1.00 33.31 N ATOM 988 NH2 ARG A 87 12.382 7.736 12.611 1.00 33.39 N ATOM 989 HA ARG A 87 9.444 3.424 9.411 1.00 0.00 H ATOM 990 HB2 ARG A 87 11.256 5.272 7.783 1.00 0.00 H ATOM 991 HB3 ARG A 87 10.482 5.723 9.320 1.00 0.00 H ATOM 992 HG2 ARG A 87 12.288 3.334 9.240 1.00 0.00 H ATOM 993 HG3 ARG A 87 12.995 4.967 9.235 1.00 0.00 H ATOM 994 HD2 ARG A 87 12.775 4.022 11.511 1.00 0.00 H ATOM 995 HD3 ARG A 87 11.014 3.924 11.279 1.00 0.00 H ATOM 996 HE ARG A 87 10.987 6.404 11.064 1.00 0.00 H ATOM 997 HH12 ARG A 87 14.266 6.318 13.496 1.00 0.00 H ATOM 998 HH11 ARG A 87 13.805 4.827 12.596 1.00 0.00 H ATOM 999 HH22 ARG A 87 13.018 8.225 13.273 1.00 0.00 H ATOM 1000 HH21 ARG A 87 11.572 8.241 12.199 1.00 0.00 H ATOM 1001 H ARG A 87 10.356 2.975 6.598 1.00 0.00 H ATOM 1002 N GLN A 88 7.728 5.163 8.636 1.00 17.84 N ATOM 1003 CA GLN A 88 6.665 6.067 8.173 1.00 17.85 C ATOM 1004 C GLN A 88 7.128 7.525 8.104 1.00 16.74 C ATOM 1005 O GLN A 88 6.545 8.340 7.396 1.00 15.98 O ATOM 1006 CB GLN A 88 5.437 5.981 9.098 1.00 18.77 C ATOM 1007 CG GLN A 88 4.799 4.599 9.169 1.00 22.70 C ATOM 1008 CD GLN A 88 4.125 4.199 7.876 1.00 27.16 C ATOM 1009 OE1 GLN A 88 4.496 3.201 7.253 1.00 31.60 O ATOM 1010 NE2 GLN A 88 3.128 4.976 7.459 1.00 30.03 N ATOM 1011 HA GLN A 88 6.402 5.742 7.167 1.00 0.00 H ATOM 1012 HB2 GLN A 88 5.746 6.266 10.103 1.00 0.00 H ATOM 1013 HB3 GLN A 88 4.687 6.685 8.737 1.00 0.00 H ATOM 1014 HG2 GLN A 88 5.574 3.868 9.399 1.00 0.00 H ATOM 1015 HG3 GLN A 88 4.054 4.599 9.965 1.00 0.00 H ATOM 1016 HE22 GLN A 88 2.849 5.808 8.017 1.00 0.00 H ATOM 1017 HE21 GLN A 88 2.628 4.751 6.575 1.00 0.00 H ATOM 1018 H GLN A 88 7.775 4.932 9.649 1.00 0.00 H ATOM 1019 N SER A 89 8.158 7.853 8.875 1.00 15.27 N ATOM 1020 CA SER A 89 8.684 9.216 8.895 1.00 14.69 C ATOM 1021 C SER A 89 10.110 9.204 9.396 1.00 13.72 C ATOM 1022 O SER A 89 10.540 8.252 10.042 1.00 14.16 O ATOM 1023 CB SER A 89 7.841 10.119 9.799 1.00 15.26 C ATOM 1024 OG SER A 89 7.960 9.729 11.162 1.00 17.91 O ATOM 1025 HA SER A 89 8.647 9.609 7.879 1.00 0.00 H ATOM 1026 HB2 SER A 89 6.796 10.050 9.498 1.00 0.00 H ATOM 1027 HB3 SER A 89 8.181 11.149 9.692 1.00 0.00 H ATOM 1028 HG SER A 89 7.407 10.327 11.725 1.00 0.00 H ATOM 1029 H SER A 89 8.598 7.127 9.475 1.00 0.00 H ATOM 1030 N PHE A 90 10.835 10.275 9.092 1.00 12.22 N ATOM 1031 CA PHE A 90 12.149 10.493 9.701 1.00 11.78 C ATOM 1032 C PHE A 90 12.419 11.981 9.687 1.00 11.09 C ATOM 1033 O PHE A 90 11.759 12.742 8.973 1.00 10.96 O ATOM 1034 CB PHE A 90 13.276 9.687 9.015 1.00 12.42 C ATOM 1035 CG PHE A 90 13.702 10.216 7.665 1.00 13.72 C ATOM 1036 CD1 PHE A 90 14.806 11.069 7.561 1.00 15.60 C ATOM 1037 CD2 PHE A 90 13.042 9.830 6.504 1.00 14.37 C ATOM 1038 CE1 PHE A 90 15.231 11.552 6.320 1.00 16.64 C ATOM 1039 CE2 PHE A 90 13.470 10.320 5.245 1.00 15.78 C ATOM 1040 CZ PHE A 90 14.560 11.175 5.172 1.00 16.47 C ATOM 1041 HA PHE A 90 12.137 10.123 10.726 1.00 0.00 H ATOM 1042 HB2 PHE A 90 14.146 9.693 9.672 1.00 0.00 H ATOM 1043 HB3 PHE A 90 12.929 8.662 8.884 1.00 0.00 H ATOM 1044 HD2 PHE A 90 12.193 9.149 6.562 1.00 0.00 H ATOM 1045 HE2 PHE A 90 12.944 10.026 4.337 1.00 0.00 H ATOM 1046 HZ PHE A 90 14.889 11.552 4.204 1.00 0.00 H ATOM 1047 HE1 PHE A 90 16.088 12.223 6.258 1.00 0.00 H ATOM 1048 HD1 PHE A 90 15.344 11.362 8.463 1.00 0.00 H ATOM 1049 H PHE A 90 10.464 10.969 8.412 1.00 0.00 H ATOM 1050 N SER A 91 13.389 12.390 10.496 1.00 11.41 N ATOM 1051 CA SER A 91 13.820 13.779 10.551 1.00 10.65 C ATOM 1052 C SER A 91 15.221 13.929 9.969 1.00 10.56 C ATOM 1053 O SER A 91 16.103 13.101 10.203 1.00 9.88 O ATOM 1054 CB SER A 91 13.833 14.251 12.007 1.00 11.73 C ATOM 1055 OG SER A 91 14.390 15.562 12.093 1.00 12.37 O ATOM 1056 HA SER A 91 13.125 14.382 9.966 1.00 0.00 H ATOM 1057 HB2 SER A 91 14.433 13.564 12.604 1.00 0.00 H ATOM 1058 HB3 SER A 91 12.813 14.267 12.390 1.00 0.00 H ATOM 1059 HG SER A 91 14.393 15.857 13.038 1.00 0.00 H ATOM 1060 H SER A 91 13.857 11.694 11.111 1.00 0.00 H ATOM 1061 N VAL A 92 15.434 15.023 9.253 1.00 9.87 N ATOM 1062 CA VAL A 92 16.771 15.362 8.745 1.00 10.48 C ATOM 1063 C VAL A 92 17.730 15.627 9.920 1.00 11.08 C ATOM 1064 O VAL A 92 18.953 15.525 9.758 1.00 11.27 O ATOM 1065 CB VAL A 92 16.684 16.569 7.763 1.00 10.78 C ATOM 1066 CG1 VAL A 92 18.052 16.954 7.215 1.00 12.00 C ATOM 1067 CG2 VAL A 92 15.776 16.230 6.586 1.00 13.29 C ATOM 1068 HA VAL A 92 17.174 14.520 8.182 1.00 0.00 H ATOM 1069 HB VAL A 92 16.280 17.408 8.329 1.00 0.00 H ATOM 1070 HG11 VAL A 92 18.708 17.231 8.040 1.00 0.00 H ATOM 1071 HG12 VAL A 92 18.479 16.106 6.679 1.00 0.00 H ATOM 1072 HG13 VAL A 92 17.945 17.799 6.535 1.00 0.00 H ATOM 1073 HG21 VAL A 92 16.178 15.367 6.055 1.00 0.00 H ATOM 1074 HG22 VAL A 92 14.777 15.998 6.955 1.00 0.00 H ATOM 1075 HG23 VAL A 92 15.726 17.083 5.910 1.00 0.00 H ATOM 1076 H VAL A 92 14.636 15.657 9.045 1.00 0.00 H ATOM 1077 N LYS A 93 17.178 15.906 11.097 1.00 10.82 N ATOM 1078 CA LYS A 93 18.004 16.053 12.313 1.00 11.91 C ATOM 1079 C LYS A 93 18.398 14.707 12.939 1.00 12.15 C ATOM 1080 O LYS A 93 19.259 14.675 13.830 1.00 12.58 O ATOM 1081 CB LYS A 93 17.301 16.945 13.329 1.00 13.02 C ATOM 1082 CG LYS A 93 16.957 18.315 12.775 1.00 16.44 C ATOM 1083 CD LYS A 93 16.715 19.331 13.886 1.00 23.88 C ATOM 1084 CE LYS A 93 16.549 20.725 13.295 1.00 26.53 C ATOM 1085 NZ LYS A 93 16.848 21.802 14.276 1.00 28.89 N ATOM 1086 HA LYS A 93 18.935 16.529 12.007 1.00 0.00 H ATOM 1087 HB2 LYS A 93 16.379 16.455 13.643 1.00 0.00 H ATOM 1088 HB3 LYS A 93 17.955 17.073 14.191 1.00 0.00 H ATOM 1089 HG2 LYS A 93 17.782 18.662 12.153 1.00 0.00 H ATOM 1090 HG3 LYS A 93 16.055 18.234 12.168 1.00 0.00 H ATOM 1091 HD2 LYS A 93 15.811 19.061 14.431 1.00 0.00 H ATOM 1092 HD3 LYS A 93 17.564 19.328 14.569 1.00 0.00 H ATOM 1093 HE2 LYS A 93 15.520 20.839 12.953 1.00 0.00 H ATOM 1094 HE3 LYS A 93 17.226 20.828 12.447 1.00 0.00 H ATOM 1095 HZ1 LYS A 93 16.202 21.720 15.087 1.00 0.00 H ATOM 1096 HZ2 LYS A 93 17.831 21.708 14.603 1.00 0.00 H ATOM 1097 HZ3 LYS A 93 16.719 22.729 13.822 1.00 0.00 H ATOM 1098 H LYS A 93 16.147 16.023 11.163 1.00 0.00 H ATOM 1099 N ASP A 94 17.785 13.598 12.501 1.00 11.79 N ATOM 1100 CA ASP A 94 18.227 12.246 12.889 1.00 12.67 C ATOM 1101 C ASP A 94 18.230 11.332 11.675 1.00 12.29 C ATOM 1102 O ASP A 94 17.333 10.493 11.506 1.00 13.17 O ATOM 1103 CB ASP A 94 17.396 11.621 14.007 1.00 13.67 C ATOM 1104 CG ASP A 94 17.893 10.215 14.362 1.00 16.07 C ATOM 1105 OD1 ASP A 94 18.954 9.778 13.829 1.00 17.82 O ATOM 1106 OD2 ASP A 94 17.216 9.532 15.154 1.00 21.20 O ATOM 1107 HA ASP A 94 19.237 12.358 13.284 1.00 0.00 H ATOM 1108 HB2 ASP A 94 17.461 12.253 14.892 1.00 0.00 H ATOM 1109 HB3 ASP A 94 16.357 11.558 13.683 1.00 0.00 H ATOM 1110 H ASP A 94 16.968 13.695 11.865 1.00 0.00 H ATOM 1111 N PRO A 95 19.235 11.496 10.826 1.00 12.10 N ATOM 1112 CA PRO A 95 19.272 10.743 9.573 1.00 13.01 C ATOM 1113 C PRO A 95 19.694 9.283 9.711 1.00 14.20 C ATOM 1114 O PRO A 95 19.897 8.621 8.687 1.00 14.14 O ATOM 1115 CB PRO A 95 20.320 11.508 8.749 1.00 13.43 C ATOM 1116 CG PRO A 95 21.255 12.095 9.796 1.00 12.75 C ATOM 1117 CD PRO A 95 20.336 12.477 10.925 1.00 11.89 C ATOM 1118 HA PRO A 95 18.276 10.683 9.134 1.00 0.00 H ATOM 1119 HD3 PRO A 95 20.845 12.396 11.886 1.00 0.00 H ATOM 1120 HD2 PRO A 95 19.964 13.494 10.797 1.00 0.00 H ATOM 1121 HG3 PRO A 95 21.775 12.970 9.406 1.00 0.00 H ATOM 1122 HG2 PRO A 95 21.986 11.355 10.123 1.00 0.00 H ATOM 1123 HB2 PRO A 95 20.858 10.833 8.083 1.00 0.00 H ATOM 1124 HB3 PRO A 95 19.851 12.297 8.162 1.00 0.00 H ATOM 1125 N SER A 96 19.798 8.756 10.931 1.00 15.02 N ATOM 1126 CA SER A 96 20.262 7.375 11.092 1.00 16.08 C ATOM 1127 C SER A 96 19.509 6.316 10.261 1.00 15.49 C ATOM 1128 O SER A 96 20.176 5.482 9.657 1.00 15.24 O ATOM 1129 CB SER A 96 20.362 6.981 12.568 1.00 17.21 C ATOM 1130 OG SER A 96 19.121 7.060 13.197 1.00 22.05 O ATOM 1131 HA SER A 96 21.265 7.377 10.664 1.00 0.00 H ATOM 1132 HB2 SER A 96 21.058 7.653 13.069 1.00 0.00 H ATOM 1133 HB3 SER A 96 20.732 5.958 12.639 1.00 0.00 H ATOM 1134 HG SER A 96 18.782 7.988 13.140 1.00 0.00 H ATOM 1135 H SER A 96 19.550 9.323 11.767 1.00 0.00 H ATOM 1136 N PRO A 97 18.152 6.349 10.196 1.00 15.58 N ATOM 1137 CA PRO A 97 17.518 5.340 9.327 1.00 15.31 C ATOM 1138 C PRO A 97 17.848 5.490 7.846 1.00 14.72 C ATOM 1139 O PRO A 97 17.862 4.496 7.117 1.00 14.65 O ATOM 1140 CB PRO A 97 16.013 5.550 9.561 1.00 15.81 C ATOM 1141 CG PRO A 97 15.895 6.937 10.075 1.00 17.27 C ATOM 1142 CD PRO A 97 17.136 7.177 10.880 1.00 15.88 C ATOM 1143 HA PRO A 97 17.879 4.342 9.577 1.00 0.00 H ATOM 1144 HD3 PRO A 97 17.415 8.231 10.863 1.00 0.00 H ATOM 1145 HD2 PRO A 97 17.000 6.855 11.912 1.00 0.00 H ATOM 1146 HG3 PRO A 97 15.009 7.036 10.702 1.00 0.00 H ATOM 1147 HG2 PRO A 97 15.835 7.645 9.249 1.00 0.00 H ATOM 1148 HB2 PRO A 97 15.460 5.438 8.628 1.00 0.00 H ATOM 1149 HB3 PRO A 97 15.635 4.836 10.293 1.00 0.00 H ATOM 1150 N LEU A 98 18.110 6.715 7.393 1.00 13.96 N ATOM 1151 CA LEU A 98 18.538 6.964 6.024 1.00 14.31 C ATOM 1152 C LEU A 98 19.913 6.355 5.753 1.00 13.52 C ATOM 1153 O LEU A 98 20.126 5.677 4.749 1.00 12.75 O ATOM 1154 CB LEU A 98 18.558 8.469 5.738 1.00 15.54 C ATOM 1155 CG LEU A 98 18.869 8.891 4.305 1.00 19.44 C ATOM 1156 CD1 LEU A 98 17.624 8.774 3.440 1.00 21.87 C ATOM 1157 CD2 LEU A 98 19.391 10.319 4.321 1.00 21.91 C ATOM 1158 HA LEU A 98 17.821 6.486 5.356 1.00 0.00 H ATOM 1159 HB2 LEU A 98 17.576 8.867 5.994 1.00 0.00 H ATOM 1160 HB3 LEU A 98 19.311 8.918 6.386 1.00 0.00 H ATOM 1161 HG LEU A 98 19.629 8.236 3.879 1.00 0.00 H ATOM 1162 HD21 LEU A 98 18.633 10.977 4.746 1.00 0.00 H ATOM 1163 HD22 LEU A 98 20.296 10.367 4.927 1.00 0.00 H ATOM 1164 HD23 LEU A 98 19.617 10.633 3.302 1.00 0.00 H ATOM 1165 HD11 LEU A 98 17.278 7.740 3.441 1.00 0.00 H ATOM 1166 HD12 LEU A 98 16.843 9.420 3.841 1.00 0.00 H ATOM 1167 HD13 LEU A 98 17.861 9.078 2.421 1.00 0.00 H ATOM 1168 H LEU A 98 18.005 7.522 8.040 1.00 0.00 H ATOM 1169 N TYR A 99 20.847 6.565 6.676 1.00 12.95 N ATOM 1170 CA TYR A 99 22.176 6.026 6.524 1.00 12.76 C ATOM 1171 C TYR A 99 22.186 4.491 6.594 1.00 12.64 C ATOM 1172 O TYR A 99 22.934 3.855 5.863 1.00 13.07 O ATOM 1173 CB TYR A 99 23.101 6.613 7.590 1.00 12.77 C ATOM 1174 CG TYR A 99 23.337 8.114 7.478 1.00 11.64 C ATOM 1175 CD1 TYR A 99 23.185 8.810 6.268 1.00 12.34 C ATOM 1176 CD2 TYR A 99 23.754 8.836 8.589 1.00 11.23 C ATOM 1177 CE1 TYR A 99 23.427 10.190 6.188 1.00 13.20 C ATOM 1178 CE2 TYR A 99 24.016 10.190 8.515 1.00 11.63 C ATOM 1179 CZ TYR A 99 23.846 10.869 7.327 1.00 10.91 C ATOM 1180 OH TYR A 99 24.099 12.219 7.250 1.00 12.14 O ATOM 1181 HA TYR A 99 22.537 6.307 5.535 1.00 0.00 H ATOM 1182 HB3 TYR A 99 24.066 6.112 7.515 1.00 0.00 H ATOM 1183 HB2 TYR A 99 22.663 6.411 8.567 1.00 0.00 H ATOM 1184 HD2 TYR A 99 23.877 8.322 9.542 1.00 0.00 H ATOM 1185 HE2 TYR A 99 24.359 10.725 9.401 1.00 0.00 H ATOM 1186 HE1 TYR A 99 23.289 10.722 5.247 1.00 0.00 H ATOM 1187 HD1 TYR A 99 22.873 8.269 5.375 1.00 0.00 H ATOM 1188 HH TYR A 99 23.924 12.534 6.328 1.00 0.00 H ATOM 1189 H TYR A 99 20.616 7.126 7.520 1.00 0.00 H ATOM 1190 N ASP A 100 21.354 3.912 7.456 1.00 13.51 N ATOM 1191 CA ASP A 100 21.215 2.443 7.497 1.00 14.35 C ATOM 1192 C ASP A 100 20.750 1.918 6.136 1.00 14.09 C ATOM 1193 O ASP A 100 21.301 0.950 5.608 1.00 14.40 O ATOM 1194 CB ASP A 100 20.217 2.015 8.569 1.00 14.99 C ATOM 1195 CG ASP A 100 20.713 2.263 9.988 1.00 18.81 C ATOM 1196 OD1 ASP A 100 21.935 2.435 10.200 1.00 24.02 O ATOM 1197 OD2 ASP A 100 19.848 2.270 10.889 1.00 24.51 O ATOM 1198 HA ASP A 100 22.191 2.023 7.739 1.00 0.00 H ATOM 1199 HB2 ASP A 100 19.292 2.573 8.423 1.00 0.00 H ATOM 1200 HB3 ASP A 100 20.020 0.949 8.453 1.00 0.00 H ATOM 1201 H ASP A 100 20.796 4.500 8.107 1.00 0.00 H ATOM 1202 N MET A 101 19.751 2.574 5.558 1.00 13.31 N ATOM 1203 CA MET A 101 19.250 2.199 4.235 1.00 13.12 C ATOM 1204 C MET A 101 20.349 2.294 3.190 1.00 13.21 C ATOM 1205 O MET A 101 20.527 1.388 2.370 1.00 13.49 O ATOM 1206 CB MET A 101 18.030 3.057 3.873 1.00 13.60 C ATOM 1207 CG MET A 101 17.342 2.711 2.543 1.00 14.88 C ATOM 1208 SD MET A 101 18.161 3.448 1.104 1.00 14.81 S ATOM 1209 CE MET A 101 17.762 5.200 1.328 1.00 14.28 C ATOM 1210 HA MET A 101 18.929 1.158 4.258 1.00 0.00 H ATOM 1211 HB2 MET A 101 17.294 2.946 4.670 1.00 0.00 H ATOM 1212 HB3 MET A 101 18.355 4.096 3.822 1.00 0.00 H ATOM 1213 HG2 MET A 101 16.314 3.072 2.580 1.00 0.00 H ATOM 1214 HG3 MET A 101 17.341 1.627 2.424 1.00 0.00 H ATOM 1215 HE1 MET A 101 16.680 5.328 1.323 1.00 0.00 H ATOM 1216 HE2 MET A 101 18.166 5.544 2.280 1.00 0.00 H ATOM 1217 HE3 MET A 101 18.201 5.778 0.515 1.00 0.00 H ATOM 1218 H MET A 101 19.314 3.374 6.058 1.00 0.00 H ATOM 1219 N LEU A 102 21.121 3.376 3.216 1.00 12.91 N ATOM 1220 CA LEU A 102 22.135 3.538 2.186 1.00 13.24 C ATOM 1221 C LEU A 102 23.222 2.491 2.302 1.00 14.34 C ATOM 1222 O LEU A 102 23.748 2.025 1.294 1.00 14.68 O ATOM 1223 CB LEU A 102 22.766 4.930 2.217 1.00 13.24 C ATOM 1224 CG LEU A 102 21.788 6.030 1.822 1.00 14.46 C ATOM 1225 CD1 LEU A 102 22.412 7.400 2.084 1.00 16.51 C ATOM 1226 CD2 LEU A 102 21.380 5.897 0.368 1.00 14.70 C ATOM 1227 HA LEU A 102 21.622 3.411 1.233 1.00 0.00 H ATOM 1228 HB2 LEU A 102 23.124 5.128 3.227 1.00 0.00 H ATOM 1229 HB3 LEU A 102 23.608 4.947 1.525 1.00 0.00 H ATOM 1230 HG LEU A 102 20.889 5.930 2.430 1.00 0.00 H ATOM 1231 HD21 LEU A 102 22.265 5.971 -0.264 1.00 0.00 H ATOM 1232 HD22 LEU A 102 20.901 4.930 0.213 1.00 0.00 H ATOM 1233 HD23 LEU A 102 20.682 6.695 0.113 1.00 0.00 H ATOM 1234 HD11 LEU A 102 22.650 7.493 3.144 1.00 0.00 H ATOM 1235 HD12 LEU A 102 23.324 7.501 1.496 1.00 0.00 H ATOM 1236 HD13 LEU A 102 21.706 8.180 1.799 1.00 0.00 H ATOM 1237 H LEU A 102 21.002 4.094 3.959 1.00 0.00 H ATOM 1238 N ARG A 103 23.561 2.111 3.531 1.00 15.45 N ATOM 1239 CA ARG A 103 24.581 1.075 3.709 1.00 17.28 C ATOM 1240 C ARG A 103 24.134 -0.261 3.114 1.00 17.37 C ATOM 1241 O ARG A 103 24.952 -1.007 2.576 1.00 17.96 O ATOM 1242 CB ARG A 103 24.962 0.934 5.181 1.00 18.18 C ATOM 1243 CG ARG A 103 25.846 2.075 5.689 1.00 22.89 C ATOM 1244 CD ARG A 103 26.653 1.654 6.915 1.00 29.63 C ATOM 1245 NE ARG A 103 27.204 0.300 6.773 1.00 34.33 N ATOM 1246 CZ ARG A 103 28.327 -0.009 6.122 1.00 36.28 C ATOM 1247 NH1 ARG A 103 29.053 0.934 5.525 1.00 37.57 N ATOM 1248 NH2 ARG A 103 28.724 -1.276 6.061 1.00 37.89 N ATOM 1249 HA ARG A 103 25.471 1.387 3.163 1.00 0.00 H ATOM 1250 HB2 ARG A 103 24.048 0.913 5.775 1.00 0.00 H ATOM 1251 HB3 ARG A 103 25.500 -0.005 5.311 1.00 0.00 H ATOM 1252 HG2 ARG A 103 26.533 2.371 4.896 1.00 0.00 H ATOM 1253 HG3 ARG A 103 25.214 2.922 5.955 1.00 0.00 H ATOM 1254 HD2 ARG A 103 26.004 1.680 7.790 1.00 0.00 H ATOM 1255 HD3 ARG A 103 27.475 2.356 7.053 1.00 0.00 H ATOM 1256 HE ARG A 103 26.677 -0.480 7.215 1.00 0.00 H ATOM 1257 HH12 ARG A 103 29.926 0.677 5.021 1.00 0.00 H ATOM 1258 HH11 ARG A 103 28.747 1.927 5.562 1.00 0.00 H ATOM 1259 HH22 ARG A 103 29.598 -1.523 5.555 1.00 0.00 H ATOM 1260 HH21 ARG A 103 28.160 -2.020 6.519 1.00 0.00 H ATOM 1261 H ARG A 103 23.106 2.546 4.359 1.00 0.00 H ATOM 1262 N LYS A 104 22.835 -0.533 3.182 1.00 16.53 N ATOM 1263 CA LYS A 104 22.248 -1.769 2.647 1.00 18.01 C ATOM 1264 C LYS A 104 21.999 -1.728 1.134 1.00 17.46 C ATOM 1265 O LYS A 104 21.969 -2.772 0.479 1.00 17.92 O ATOM 1266 CB LYS A 104 20.955 -2.087 3.404 1.00 18.27 C ATOM 1267 CG LYS A 104 21.179 -2.397 4.892 1.00 20.36 C ATOM 1268 CD LYS A 104 19.905 -2.834 5.596 1.00 21.85 C ATOM 1269 CE LYS A 104 20.242 -3.619 6.858 1.00 26.98 C ATOM 1270 NZ LYS A 104 19.110 -4.489 7.300 1.00 30.41 N ATOM 1271 HA LYS A 104 22.978 -2.563 2.801 1.00 0.00 H ATOM 1272 HB2 LYS A 104 20.289 -1.228 3.326 1.00 0.00 H ATOM 1273 HB3 LYS A 104 20.485 -2.953 2.937 1.00 0.00 H ATOM 1274 HG2 LYS A 104 21.916 -3.196 4.975 1.00 0.00 H ATOM 1275 HG3 LYS A 104 21.559 -1.501 5.382 1.00 0.00 H ATOM 1276 HD2 LYS A 104 19.322 -1.953 5.865 1.00 0.00 H ATOM 1277 HD3 LYS A 104 19.321 -3.464 4.925 1.00 0.00 H ATOM 1278 HE2 LYS A 104 20.478 -2.916 7.657 1.00 0.00 H ATOM 1279 HE3 LYS A 104 21.111 -4.246 6.660 1.00 0.00 H ATOM 1280 HZ1 LYS A 104 18.277 -3.898 7.499 1.00 0.00 H ATOM 1281 HZ2 LYS A 104 18.882 -5.169 6.547 1.00 0.00 H ATOM 1282 HZ3 LYS A 104 19.385 -5.003 8.161 1.00 0.00 H ATOM 1283 H LYS A 104 22.206 0.160 3.634 1.00 0.00 H ATOM 1284 N ASN A 105 21.852 -0.542 0.562 1.00 15.52 N ATOM 1285 CA ASN A 105 21.426 -0.390 -0.800 1.00 15.22 C ATOM 1286 C ASN A 105 22.438 0.206 -1.778 1.00 15.31 C ATOM 1287 O ASN A 105 22.113 0.403 -2.904 1.00 15.34 O ATOM 1288 CB ASN A 105 20.111 0.378 -0.852 1.00 14.59 C ATOM 1289 CG ASN A 105 18.942 -0.422 -0.302 1.00 17.39 C ATOM 1290 OD1 ASN A 105 18.299 -1.125 -1.026 1.00 19.97 O ATOM 1291 ND2 ASN A 105 18.655 -0.276 0.948 1.00 19.39 N ATOM 1292 HA ASN A 105 21.301 -1.412 -1.157 1.00 0.00 H ATOM 1293 HB2 ASN A 105 20.216 1.290 -0.265 1.00 0.00 H ATOM 1294 HB3 ASN A 105 19.899 0.637 -1.889 1.00 0.00 H ATOM 1295 HD22 ASN A 105 19.237 0.344 1.546 1.00 0.00 H ATOM 1296 HD21 ASN A 105 17.841 -0.778 1.357 1.00 0.00 H ATOM 1297 H ASN A 105 22.053 0.311 1.121 1.00 0.00 H ATOM 1298 N LEU A 106 23.645 0.456 -1.328 1.00 15.66 N ATOM 1299 CA LEU A 106 24.742 0.935 -2.175 1.00 16.40 C ATOM 1300 C LEU A 106 25.844 -0.106 -2.231 1.00 17.88 C ATOM 1301 O LEU A 106 26.386 -0.518 -1.193 1.00 19.01 O ATOM 1302 CB LEU A 106 25.325 2.267 -1.662 1.00 16.20 C ATOM 1303 CG LEU A 106 24.382 3.470 -1.638 1.00 14.94 C ATOM 1304 CD1 LEU A 106 25.061 4.700 -1.001 1.00 14.09 C ATOM 1305 CD2 LEU A 106 23.883 3.788 -3.035 1.00 14.48 C ATOM 1306 HA LEU A 106 24.335 1.105 -3.172 1.00 0.00 H ATOM 1307 HB2 LEU A 106 25.676 2.103 -0.643 1.00 0.00 H ATOM 1308 HB3 LEU A 106 26.171 2.524 -2.299 1.00 0.00 H ATOM 1309 HG LEU A 106 23.523 3.210 -1.020 1.00 0.00 H ATOM 1310 HD21 LEU A 106 24.732 4.018 -3.679 1.00 0.00 H ATOM 1311 HD22 LEU A 106 23.346 2.927 -3.433 1.00 0.00 H ATOM 1312 HD23 LEU A 106 23.214 4.647 -2.994 1.00 0.00 H ATOM 1313 HD11 LEU A 106 25.350 4.464 0.023 1.00 0.00 H ATOM 1314 HD12 LEU A 106 25.947 4.964 -1.578 1.00 0.00 H ATOM 1315 HD13 LEU A 106 24.364 5.538 -0.999 1.00 0.00 H ATOM 1316 H LEU A 106 23.834 0.306 -0.316 1.00 0.00 H ATOM 1317 N VAL A 107 26.171 -0.528 -3.444 1.00 19.00 N ATOM 1318 CA VAL A 107 27.241 -1.500 -3.641 1.00 21.05 C ATOM 1319 C VAL A 107 28.500 -0.714 -3.975 1.00 22.66 C ATOM 1320 O VAL A 107 28.512 0.060 -4.929 1.00 21.93 O ATOM 1321 CB VAL A 107 26.897 -2.510 -4.758 1.00 21.23 C ATOM 1322 CG1 VAL A 107 28.053 -3.504 -4.960 1.00 21.63 C ATOM 1323 CG2 VAL A 107 25.597 -3.264 -4.426 1.00 21.99 C ATOM 1324 HA VAL A 107 27.385 -2.092 -2.737 1.00 0.00 H ATOM 1325 HB VAL A 107 26.748 -1.956 -5.685 1.00 0.00 H ATOM 1326 HG11 VAL A 107 28.954 -2.959 -5.240 1.00 0.00 H ATOM 1327 HG12 VAL A 107 28.229 -4.048 -4.032 1.00 0.00 H ATOM 1328 HG13 VAL A 107 27.792 -4.207 -5.751 1.00 0.00 H ATOM 1329 HG21 VAL A 107 25.721 -3.804 -3.487 1.00 0.00 H ATOM 1330 HG22 VAL A 107 24.779 -2.550 -4.331 1.00 0.00 H ATOM 1331 HG23 VAL A 107 25.374 -3.970 -5.226 1.00 0.00 H ATOM 1332 H VAL A 107 25.656 -0.160 -4.269 1.00 0.00 H ATOM 1333 N THR A 108 29.547 -0.917 -3.174 1.00 24.95 N ATOM 1334 CA THR A 108 30.776 -0.120 -3.255 1.00 27.47 C ATOM 1335 C THR A 108 31.947 -0.919 -3.833 1.00 28.21 C ATOM 1336 O THR A 108 31.782 -1.698 -4.778 1.00 29.23 O ATOM 1337 CB THR A 108 31.154 0.465 -1.866 1.00 27.81 C ATOM 1338 OG1 THR A 108 32.233 1.400 -2.005 1.00 30.90 O ATOM 1339 CG2 THR A 108 31.546 -0.640 -0.890 1.00 28.87 C ATOM 1340 HA THR A 108 30.572 0.704 -3.939 1.00 0.00 H ATOM 1341 HB THR A 108 30.280 0.978 -1.465 1.00 0.00 H ATOM 1342 HG1 THR A 108 32.467 1.767 -1.116 1.00 0.00 H ATOM 1343 HG23 THR A 108 30.721 -1.345 -0.791 1.00 0.00 H ATOM 1344 HG21 THR A 108 32.427 -1.160 -1.267 1.00 0.00 H ATOM 1345 HG22 THR A 108 31.770 -0.202 0.083 1.00 0.00 H ATOM 1346 H THR A 108 29.490 -1.673 -2.462 1.00 0.00 H TER 1347 THR A 108 HETATM 1348 O HOH 1 13.285 18.285 -6.821 1.00 11.86 O HETATM 1349 O HOH 2 18.995 17.937 -3.210 1.00 12.11 O HETATM 1350 O HOH 3 24.981 16.140 -1.910 1.00 14.53 O HETATM 1351 O HOH 4 14.673 10.318 12.029 1.00 14.99 O HETATM 1352 O HOH 5 21.112 17.167 10.589 1.00 16.47 O HETATM 1353 O HOH 6 1.603 20.517 6.721 1.00 16.92 O HETATM 1354 O HOH 7 23.297 0.807 -10.070 1.00 17.62 O HETATM 1355 O HOH 8 21.440 18.867 -2.577 1.00 18.09 O HETATM 1356 O HOH 9 5.599 17.395 11.307 1.00 18.37 O HETATM 1357 O HOH 10 16.484 2.186 7.679 1.00 20.50 O HETATM 1358 O HOH 11 30.927 11.612 -2.421 1.00 20.82 O HETATM 1359 O HOH 12 17.254 -0.682 -3.356 1.00 22.07 O HETATM 1360 O HOH 13 10.060 24.476 8.971 1.00 22.15 O HETATM 1361 O HOH 14 11.989 5.819 -11.740 1.00 22.58 O HETATM 1362 O HOH 15 16.054 10.168 -14.648 1.00 23.03 O HETATM 1363 O HOH 16 30.228 14.165 -6.621 1.00 23.34 O HETATM 1364 O HOH 17 22.752 12.254 -12.956 1.00 23.67 O HETATM 1365 O HOH 18 6.236 18.733 0.657 1.00 24.18 O HETATM 1366 O HOH 19 23.818 -1.175 -11.853 1.00 25.63 O HETATM 1367 O HOH 20 17.219 14.130 -15.999 1.00 26.36 O HETATM 1368 O HOH 21 9.393 11.657 -11.334 1.00 25.66 O HETATM 1369 O HOH 22 31.488 8.632 -3.164 1.00 26.28 O HETATM 1370 O HOH 23 11.064 24.310 0.997 1.00 26.99 O HETATM 1371 O HOH 24 3.869 9.011 6.524 1.00 27.15 O HETATM 1372 O HOH 25 16.409 -1.279 2.542 1.00 27.44 O HETATM 1373 O HOH 26 16.676 -3.424 -2.932 1.00 27.80 O HETATM 1374 O HOH 27 25.560 17.941 -3.895 1.00 27.34 O HETATM 1375 O HOH 28 4.320 9.301 -2.526 1.00 27.85 O HETATM 1376 O HOH 29 4.057 13.177 2.904 1.00 28.43 O HETATM 1377 O HOH 30 6.344 5.280 -4.310 1.00 28.60 O HETATM 1378 O HOH 31 4.252 16.054 2.463 1.00 28.41 O HETATM 1379 O HOH 32 3.012 19.853 4.324 1.00 28.12 O HETATM 1380 O HOH 33 25.889 16.268 -6.366 1.00 28.29 O HETATM 1381 O HOH 34 25.697 8.453 -13.201 1.00 28.54 O HETATM 1382 O HOH 35 16.242 17.242 16.717 1.00 29.75 O HETATM 1383 O HOH 36 27.361 -0.158 1.460 1.00 30.02 O HETATM 1384 O HOH 37 5.449 17.584 -7.040 1.00 29.60 O HETATM 1385 O HOH 38 20.791 14.145 -14.466 1.00 30.14 O HETATM 1386 O HOH 39 4.344 9.311 1.843 1.00 31.02 O HETATM 1387 O HOH 40 20.630 -1.015 -12.595 1.00 33.18 O HETATM 1388 O HOH 41 28.533 16.186 -6.801 1.00 32.93 O HETATM 1389 O HOH 42 3.884 11.931 -3.129 1.00 33.15 O HETATM 1390 O HOH 43 17.241 -3.581 -0.346 1.00 33.56 O HETATM 1391 O HOH 44 7.939 25.757 7.585 1.00 35.18 O HETATM 1392 O HOH 45 14.275 15.821 14.988 1.00 35.60 O HETATM 1393 O HOH 46 22.739 4.940 10.778 1.00 35.24 O HETATM 1394 O HOH 47 14.784 -3.461 1.332 1.00 35.79 O HETATM 1395 O HOH 48 17.086 1.811 10.527 1.00 36.47 O HETATM 1396 O HOH 49 3.301 19.020 0.325 1.00 37.22 O HETATM 1397 O HOH 50 26.888 5.439 -15.360 1.00 37.34 O HETATM 1398 O HOH 51 11.841 7.952 -13.562 1.00 37.59 O HETATM 1399 O HOH 52 7.905 24.474 0.073 1.00 37.55 O HETATM 1400 O HOH 53 3.807 28.082 4.453 1.00 37.23 O HETATM 1401 O HOH 54 26.902 9.601 4.313 1.00 37.80 O HETATM 1402 O HOH 55 8.037 5.384 11.815 1.00 39.34 O HETATM 1403 O HOH 56 19.475 6.879 -16.867 1.00 39.47 O HETATM 1404 O HOH 57 29.355 -3.092 -1.191 1.00 39.49 O HETATM 1405 O HOH 58 32.254 14.556 -4.940 1.00 44.06 O HETATM 1406 O HOH 59 32.549 4.671 -1.484 1.00 44.36 O HETATM 1407 O HOH 60 14.498 13.245 16.223 1.00 45.00 O HETATM 1408 O HOH 61 13.681 23.069 14.532 1.00 48.20 O HETATM 1409 O HOH 62 27.487 4.451 2.710 1.00 49.28 O HETATM 1410 O HOH 63 14.610 3.054 12.457 1.00 52.46 O HETATM 1411 O HOH 64 27.351 6.688 4.232 1.00 57.25 O HETATM 1412 O HOH 65 13.650 23.951 0.101 1.00 13.78 O HETATM 1413 O HOH 66 21.030 19.351 8.810 1.00 20.25 O HETATM 1414 O HOH 67 20.967 22.589 9.381 1.00 26.32 O HETATM 1415 O HOH 68 15.826 11.945 -16.811 1.00 27.71 O HETATM 1416 O HOH 69 22.632 16.066 1.598 1.00 13.37 O HETATM 1417 O HOH 70 22.460 16.762 -1.012 1.00 13.58 O HETATM 1418 O HOH 71 15.519 25.685 1.811 1.00 19.05 O HETATM 1419 O HOH 72 26.694 19.279 3.829 1.00 14.11 O HETATM 1420 O HOH 73 25.235 15.498 2.321 1.00 23.50 O HETATM 1421 O HOH 74 16.024 25.311 7.133 1.00 23.75 O HETATM 1422 O HOH 75 25.433 19.373 0.455 1.00 25.32 O HETATM 1423 O HOH 76 12.255 25.681 7.961 1.00 28.44 O HETATM 1424 O HOH 77 16.112 27.890 6.047 1.00 30.90 O HETATM 1425 O HOH 78 18.859 24.858 8.087 1.00 31.07 O HETATM 1426 O HOH 79 26.720 15.681 0.229 1.00 32.84 O HETATM 1427 O HOH 80 22.406 24.701 5.220 1.00 34.29 O HETATM 1428 O HOH 81 28.013 11.786 3.205 1.00 35.62 O HETATM 1429 O HOH 82 19.652 22.217 -5.089 1.00 41.75 O HETATM 1430 O HOH 83 17.393 24.193 13.107 1.00 42.22 O HETATM 1431 O HOH 84 21.883 21.429 -3.299 1.00 45.81 O HETATM 1432 O HOH 85 31.590 12.431 1.613 1.00 51.64 O HETATM 1433 C ACE A 86 13.962 23.929 4.363 1.00 0.18 C HETATM 1434 O ACE A 86 15.033 23.668 4.880 1.00 -0.40 O HETATM 1435 CH3 ACE A 86 13.315 25.282 4.459 1.00 0.03 C HETATM 1436 H1 ACE A 86 12.359 25.271 3.914 1.00 0.05 H HETATM 1437 H2 ACE A 86 13.980 26.039 4.017 1.00 0.05 H HETATM 1438 H3 ACE A 86 13.132 25.527 5.516 1.00 0.05 H HETATM 1439 N ACE A 86 13.281 23.053 3.613 1.00 -0.26 N HETATM 1440 CA ACE A 86 13.777 21.679 3.441 1.00 0.14 C HETATM 1441 C ACE A 86 15.165 21.570 2.879 1.00 0.21 C HETATM 1442 O ACE A 86 16.018 20.867 3.442 1.00 -0.39 O HETATM 1443 N ACE A 86 15.429 22.247 1.769 1.00 -0.26 N HETATM 1444 CA ACE A 86 16.760 22.119 1.183 1.00 0.13 C HETATM 1445 C ACE A 86 17.822 22.675 2.068 1.00 0.20 C HETATM 1446 O ACE A 86 18.924 22.084 2.129 1.00 -0.39 O HETATM 1447 N ACE A 86 17.609 23.756 2.778 1.00 -0.27 N HETATM 1448 CA ACE A 86 18.609 24.330 3.691 1.00 0.13 C HETATM 1449 C ACE A 86 19.025 23.236 4.675 1.00 0.23 C HETATM 1450 O ACE A 86 20.229 23.024 4.982 1.00 -0.34 O HETATM 1451 N ACE A 86 18.037 22.469 5.203 1.00 -0.26 N HETATM 1452 CA ACE A 86 18.390 21.389 6.114 1.00 0.14 C HETATM 1453 CB ACE A 86 17.115 20.823 6.764 1.00 0.02 C HETATM 1454 CG ACE A 86 16.432 21.617 7.862 1.00 -0.05 C HETATM 1455 CD1 ACE A 86 15.116 22.072 7.656 1.00 -0.07 C HETATM 1456 CE1 ACE A 86 14.439 22.782 8.662 1.00 -0.07 C HETATM 1457 CZ ACE A 86 15.116 23.033 9.853 1.00 -0.03 C HETATM 1458 CE2 ACE A 86 16.414 22.581 10.070 1.00 -0.07 C HETATM 1459 CD2 ACE A 86 17.100 21.862 9.065 1.00 -0.07 C HETATM 1460 H35 ACE A 86 18.113 21.511 9.223 1.00 0.05 H HETATM 1461 H36 ACE A 86 16.902 22.782 11.017 1.00 0.05 H HETATM 1462 CH4 ACE A 86 14.426 23.809 10.973 1.00 0.05 C HETATM 1463 P ACE A 86 14.728 25.606 10.878 1.00 0.07 P HETATM 1464 O1 ACE A 86 16.163 25.753 11.328 1.00 -0.56 O HETATM 1465 O2 ACE A 86 14.469 26.071 9.465 1.00 -0.56 O HETATM 1466 O3 ACE A 86 13.750 26.281 11.836 1.00 -0.56 O HETATM 1467 H37 ACE A 86 14.801 23.440 11.939 1.00 0.06 H HETATM 1468 H38 ACE A 86 13.342 23.631 10.908 1.00 0.06 H HETATM 1469 H34 ACE A 86 13.421 23.124 8.516 1.00 0.05 H HETATM 1470 H33 ACE A 86 14.620 21.873 6.713 1.00 0.05 H HETATM 1471 H31 ACE A 86 17.379 19.844 7.191 1.00 0.05 H HETATM 1472 H32 ACE A 86 16.377 20.686 5.960 1.00 0.05 H HETATM 1473 C ACE A 86 19.051 20.246 5.406 1.00 0.21 C HETATM 1474 O ACE A 86 20.088 19.728 5.850 1.00 -0.39 O HETATM 1475 N ACE A 86 18.480 19.793 4.274 1.00 -0.26 N HETATM 1476 CA ACE A 86 19.041 18.641 3.570 1.00 0.14 C HETATM 1477 C ACE A 86 20.467 18.817 3.119 1.00 0.21 C HETATM 1478 O ACE A 86 21.279 17.899 3.301 1.00 -0.39 O HETATM 1479 N ACE A 86 20.740 19.975 2.526 1.00 -0.26 N HETATM 1480 CA ACE A 86 22.114 20.192 2.034 1.00 0.13 C HETATM 1481 C ACE A 86 23.129 20.316 3.145 1.00 0.20 C HETATM 1482 O ACE A 86 24.338 20.282 2.857 1.00 -0.39 O HETATM 1483 N ACE A 86 22.657 20.450 4.389 1.00 -0.27 N HETATM 1484 CA ACE A 86 23.540 20.536 5.553 1.00 0.13 C HETATM 1485 CB ACE A 86 24.491 21.735 5.662 1.00 -0.02 C HETATM 1486 CG ACE A 86 23.293 21.643 6.580 1.00 -0.02 C HETATM 1487 H57 ACE A 86 22.447 22.334 6.449 1.00 0.03 H HETATM 1488 H58 ACE A 86 23.437 21.439 7.651 1.00 0.03 H HETATM 1489 H55 ACE A 86 25.505 21.597 6.066 1.00 0.03 H HETATM 1490 H56 ACE A 86 24.515 22.492 4.864 1.00 0.03 H HETATM 1491 C ACE A 86 23.946 19.210 6.087 1.00 0.23 C HETATM 1492 O ACE A 86 24.766 19.133 7.035 1.00 -0.34 O HETATM 1493 N ACE A 86 23.468 18.100 5.554 1.00 -0.26 N HETATM 1494 CA ACE A 86 23.863 16.778 6.055 1.00 0.13 C HETATM 1495 C ACE A 86 25.329 16.516 5.794 1.00 0.20 C HETATM 1496 O ACE A 86 25.870 16.862 4.750 1.00 -0.39 O HETATM 1497 N ACE A 86 26.027 15.913 6.745 1.00 -0.30 N HETATM 1498 H71 ACE A 86 26.999 15.723 6.608 1.00 0.18 H HETATM 1499 H72 ACE A 86 25.582 15.648 7.600 1.00 0.18 H HETATM 1500 CB ACE A 86 22.998 15.674 5.384 1.00 -0.01 C HETATM 1501 CG ACE A 86 21.566 15.621 5.932 1.00 -0.04 C HETATM 1502 CD1 ACE A 86 20.694 14.731 5.033 1.00 -0.06 C HETATM 1503 H65 ACE A 86 19.670 14.698 5.432 1.00 0.02 H HETATM 1504 H66 ACE A 86 21.111 13.713 5.009 1.00 0.02 H HETATM 1505 H67 ACE A 86 20.677 15.144 4.014 1.00 0.02 H HETATM 1506 CD2 ACE A 86 21.559 15.046 7.355 1.00 -0.06 C HETATM 1507 H68 ACE A 86 22.181 15.676 8.008 1.00 0.02 H HETATM 1508 H69 ACE A 86 21.963 14.023 7.339 1.00 0.02 H HETATM 1509 H70 ACE A 86 20.528 15.027 7.738 1.00 0.02 H HETATM 1510 H64 ACE A 86 21.151 16.639 5.950 1.00 0.03 H HETATM 1511 H62 ACE A 86 23.477 14.699 5.558 1.00 0.03 H HETATM 1512 H63 ACE A 86 22.953 15.872 4.303 1.00 0.03 H HETATM 1513 H61 ACE A 86 23.691 16.750 7.141 1.00 0.08 H HETATM 1514 H60 ACE A 86 22.823 18.162 4.792 1.00 0.19 H HETATM 1515 H59 ACE A 86 21.668 20.493 4.529 1.00 0.18 H HETATM 1516 CB ACE A 86 22.197 21.479 1.199 1.00 -0.00 C HETATM 1517 CG ACE A 86 21.428 21.676 -0.117 1.00 0.00 C HETATM 1518 CD ACE A 86 21.608 23.135 -0.627 1.00 0.04 C HETATM 1519 OE1 ACE A 86 22.079 24.048 0.104 1.00 -0.57 O HETATM 1520 OE2 ACE A 86 21.258 23.430 -1.790 1.00 -0.57 O HETATM 1521 H53 ACE A 86 20.359 21.479 0.053 1.00 0.04 H HETATM 1522 H54 ACE A 86 21.814 20.976 -0.873 1.00 0.04 H HETATM 1523 H51 ACE A 86 23.261 21.611 0.951 1.00 0.03 H HETATM 1524 H52 ACE A 86 21.872 22.293 1.864 1.00 0.03 H HETATM 1525 H50 ACE A 86 22.387 19.334 1.402 1.00 0.08 H HETATM 1526 H49 ACE A 86 20.036 20.677 2.417 1.00 0.19 H HETATM 1527 CB ACE A 86 18.093 18.363 2.345 1.00 0.00 C HETATM 1528 CG ACE A 86 18.533 17.088 1.712 1.00 -0.04 C HETATM 1529 CD1 ACE A 86 19.395 16.960 0.624 1.00 0.02 C HETATM 1530 NE1 ACE A 86 19.615 15.633 0.343 1.00 -0.29 N HETATM 1531 CE2 ACE A 86 18.916 14.883 1.232 1.00 0.06 C HETATM 1532 CD2 ACE A 86 18.212 15.719 2.117 1.00 -0.02 C HETATM 1533 CE3 ACE A 86 17.404 15.216 3.148 1.00 -0.07 C HETATM 1534 CZ3 ACE A 86 17.286 13.834 3.245 1.00 -0.08 C HETATM 1535 CH2 ACE A 86 17.978 13.006 2.376 1.00 -0.08 C HETATM 1536 CZ2 ACE A 86 18.791 13.512 1.359 1.00 -0.04 C HETATM 1537 H46 ACE A 86 19.313 12.844 0.684 1.00 0.05 H HETATM 1538 H48 ACE A 86 17.886 11.932 2.489 1.00 0.05 H HETATM 1539 H47 ACE A 86 16.648 13.401 4.006 1.00 0.05 H HETATM 1540 H45 ACE A 86 16.893 15.877 3.839 1.00 0.05 H HETATM 1541 H44 ACE A 86 20.210 15.269 -0.415 1.00 0.22 H HETATM 1542 H43 ACE A 86 19.832 17.793 0.075 1.00 0.08 H HETATM 1543 H41 ACE A 86 18.167 19.186 1.619 1.00 0.04 H HETATM 1544 H42 ACE A 86 17.053 18.270 2.690 1.00 0.04 H HETATM 1545 H40 ACE A 86 19.014 17.775 4.248 1.00 0.08 H HETATM 1546 H39 ACE A 86 17.666 20.248 3.912 1.00 0.19 H HETATM 1547 H30 ACE A 86 19.065 21.782 6.888 1.00 0.08 H HETATM 1548 H29 ACE A 86 17.080 22.643 4.970 1.00 0.19 H HETATM 1549 CB1 ACE A 86 17.925 25.418 4.486 1.00 -0.03 C HETATM 1550 H23 ACE A 86 18.646 25.872 5.182 1.00 0.02 H HETATM 1551 H24 ACE A 86 17.088 24.986 5.054 1.00 0.02 H HETATM 1552 H25 ACE A 86 17.543 26.189 3.800 1.00 0.02 H HETATM 1553 CB2 ACE A 86 19.825 24.881 2.922 1.00 -0.03 C HETATM 1554 H26 ACE A 86 20.550 25.301 3.635 1.00 0.02 H HETATM 1555 H27 ACE A 86 19.494 25.668 2.228 1.00 0.02 H HETATM 1556 H28 ACE A 86 20.299 24.067 2.354 1.00 0.02 H HETATM 1557 H22 ACE A 86 16.723 24.213 2.695 1.00 0.18 H HETATM 1558 CB ACE A 86 16.702 22.834 -0.151 1.00 -0.00 C HETATM 1559 CG ACE A 86 17.898 22.498 -1.058 1.00 -0.00 C HETATM 1560 SD ACE A 86 18.242 20.771 -1.376 1.00 -0.16 S HETATM 1561 CE ACE A 86 16.827 19.895 -1.777 1.00 -0.02 C HETATM 1562 H19 ACE A 86 17.088 18.843 -1.963 1.00 0.03 H HETATM 1563 H20 ACE A 86 16.373 20.326 -2.682 1.00 0.03 H HETATM 1564 H21 ACE A 86 16.111 19.954 -0.944 1.00 0.03 H HETATM 1565 H17 ACE A 86 18.795 22.931 -0.592 1.00 0.04 H HETATM 1566 H18 ACE A 86 17.719 22.982 -2.030 1.00 0.04 H HETATM 1567 H15 ACE A 86 16.693 23.919 0.031 1.00 0.03 H HETATM 1568 H16 ACE A 86 15.776 22.541 -0.667 1.00 0.03 H HETATM 1569 H14 ACE A 86 16.980 21.055 1.014 1.00 0.08 H HETATM 1570 H13 ACE A 86 14.735 22.829 1.345 1.00 0.19 H HETATM 1571 CB ACE A 86 12.790 20.831 2.573 1.00 0.02 C HETATM 1572 CG ACE A 86 13.379 19.454 2.337 1.00 -0.04 C HETATM 1573 CD1 ACE A 86 13.433 18.483 3.327 1.00 -0.06 C HETATM 1574 CE1 ACE A 86 14.026 17.243 3.065 1.00 -0.07 C HETATM 1575 CZ ACE A 86 14.550 16.932 1.813 1.00 -0.07 C HETATM 1576 CE2 ACE A 86 14.511 17.903 0.807 1.00 -0.07 C HETATM 1577 CD2 ACE A 86 13.926 19.132 1.084 1.00 -0.06 C HETATM 1578 H9 ACE A 86 13.890 19.877 0.297 1.00 0.06 H HETATM 1579 H11 ACE A 86 14.930 17.700 -0.172 1.00 0.06 H HETATM 1580 H12 ACE A 86 14.980 15.956 1.621 1.00 0.06 H HETATM 1581 H10 ACE A 86 14.079 16.505 3.857 1.00 0.06 H HETATM 1582 H8 ACE A 86 13.014 18.686 4.306 1.00 0.06 H HETATM 1583 H6 ACE A 86 12.629 21.331 1.607 1.00 0.05 H HETATM 1584 H7 ACE A 86 11.829 20.733 3.100 1.00 0.05 H HETATM 1585 H5 ACE A 86 13.806 21.230 4.445 1.00 0.08 H HETATM 1586 H4 ACE A 86 12.431 23.334 3.168 1.00 0.19 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1433 1434 1435 1439 CONECT 1434 1433 CONECT 1435 1433 1436 1437 1438 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1435 CONECT 1439 1433 1440 1586 CONECT 1440 1439 1441 1571 1585 CONECT 1441 1440 1442 1443 CONECT 1442 1441 CONECT 1443 1441 1444 1570 CONECT 1444 1443 1445 1558 1569 CONECT 1445 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 1448 1557 CONECT 1448 1447 1449 1549 1553 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1548 CONECT 1452 1451 1453 1473 1547 CONECT 1453 1452 1454 1471 1472 CONECT 1454 1453 1455 1459 CONECT 1455 1454 1456 1470 CONECT 1456 1455 1457 1469 CONECT 1457 1456 1458 1462 CONECT 1458 1457 1459 1461 CONECT 1459 1454 1458 1460 CONECT 1460 1459 CONECT 1461 1458 CONECT 1462 1457 1463 1467 1468 CONECT 1463 1462 1464 1465 1466 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1463 CONECT 1467 1462 CONECT 1468 1462 CONECT 1469 1456 CONECT 1470 1455 CONECT 1471 1453 CONECT 1472 1453 CONECT 1473 1452 1474 1475 CONECT 1474 1473 CONECT 1475 1473 1476 1546 CONECT 1476 1475 1477 1527 1545 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 1480 1526 CONECT 1480 1479 1481 1516 1525 CONECT 1481 1480 1482 1483 CONECT 1482 1481 CONECT 1483 1481 1484 1515 CONECT 1484 1483 1485 1486 1491 CONECT 1485 1484 1486 1489 1490 CONECT 1486 1484 1485 1487 1488 CONECT 1487 1486 CONECT 1488 1486 CONECT 1489 1485 CONECT 1490 1485 CONECT 1491 1484 1492 1493 CONECT 1492 1491 CONECT 1493 1491 1494 1514 CONECT 1494 1493 1495 1500 1513 CONECT 1495 1494 1496 1497 CONECT 1496 1495 CONECT 1497 1495 1498 1499 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1494 1501 1511 1512 CONECT 1501 1500 1502 1506 1510 CONECT 1502 1501 1503 1504 1505 CONECT 1503 1502 CONECT 1504 1502 CONECT 1505 1502 CONECT 1506 1501 1507 1508 1509 CONECT 1507 1506 CONECT 1508 1506 CONECT 1509 1506 CONECT 1510 1501 CONECT 1511 1500 CONECT 1512 1500 CONECT 1513 1494 CONECT 1514 1493 CONECT 1515 1483 CONECT 1516 1480 1517 1523 1524 CONECT 1517 1516 1518 1521 1522 CONECT 1518 1517 1519 1520 CONECT 1519 1518 CONECT 1520 1518 CONECT 1521 1517 CONECT 1522 1517 CONECT 1523 1516 CONECT 1524 1516 CONECT 1525 1480 CONECT 1526 1479 CONECT 1527 1476 1528 1543 1544 CONECT 1528 1527 1529 1532 CONECT 1529 1528 1530 1542 CONECT 1530 1529 1531 1541 CONECT 1531 1530 1532 1536 CONECT 1532 1528 1531 1533 CONECT 1533 1532 1534 1540 CONECT 1534 1533 1535 1539 CONECT 1535 1534 1536 1538 CONECT 1536 1531 1535 1537 CONECT 1537 1536 CONECT 1538 1535 CONECT 1539 1534 CONECT 1540 1533 CONECT 1541 1530 CONECT 1542 1529 CONECT 1543 1527 CONECT 1544 1527 CONECT 1545 1476 CONECT 1546 1475 CONECT 1547 1452 CONECT 1548 1451 CONECT 1549 1448 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1448 1554 1555 1556 CONECT 1554 1553 CONECT 1555 1553 CONECT 1556 1553 CONECT 1557 1447 CONECT 1558 1444 1559 1567 1568 CONECT 1559 1558 1560 1565 1566 CONECT 1560 1559 1561 CONECT 1561 1560 1562 1563 1564 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 CONECT 1565 1559 CONECT 1566 1559 CONECT 1567 1558 CONECT 1568 1558 CONECT 1569 1444 CONECT 1570 1443 CONECT 1571 1440 1572 1583 1584 CONECT 1572 1571 1573 1577 CONECT 1573 1572 1574 1582 CONECT 1574 1573 1575 1581 CONECT 1575 1574 1576 1580 CONECT 1576 1575 1577 1579 CONECT 1577 1572 1576 1578 CONECT 1578 1577 CONECT 1579 1576 CONECT 1580 1575 CONECT 1581 1574 CONECT 1582 1573 CONECT 1583 1571 CONECT 1584 1571 CONECT 1585 1440 CONECT 1586 1439 MASTER 0 0 0 0 0 0 0 0 1585 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: 3fe7
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%
3fea
RCSB PDB
PDBbind
100aa, >3FEA_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
3fea
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
3fe7
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Mdm4 protein
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Kd=75nM
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
6
N
1
0
O
1
4
PS
Molecular Weight
1176.300
Exact Mass
1175.500
No. of atoms
158
No. of bonds
162
Polar Surface Area
428.56
LOGP Value
2.84 (
Computed with XLOGP3
)
4.88 (
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]c2c1cccc2)Cc1ccc(cc1)CP(O)(O)O)(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)C
InChI String
InChI=1S/C56H77N10O14PS/c1-32(2)26-42(47(57)70)63-54(77)56(23-24-56)66-52(75)40(20-21-46(68)69)60-50(73)45(29-37-30-58-39-15-11-10-14-38(37)39)62-49(72)44(28-35-16-18-36(19-17-35)31-81(78,79)80)64-53(76)55(4,5)65-51(74)41(22-25-82-6)61-48(71)43(59-33(3)67)27-34-12-8-7-9-13-34/h7-19,30,32,40-45,58,78-81H,20-29,31H2,1-6H3,(H2,57,70)(H,59,67)(H,60,73)(H,61,71)(H,62,72)(H,63,77)(H,64,76)(H,65,74)(H,66,75)(H,68,69)/t40-,41-,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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