Browse entries in the PDBbind-CN Database
HEADER 2KFF_COMPLEX COMPND 2KFF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 105 GLY PRO LEU GLY SER ASP ASP VAL GLU TRP VAL VAL GLY SEQRES 2 A 105 LYS ASP LYS PRO THR TYR ASP GLU ILE PHE TYR THR LEU SEQRES 3 A 105 SER PRO VAL ASN GLY LYS ILE THR GLY ALA ASN ALA LYS SEQRES 4 A 105 LYS GLU MET VAL LYS SER LYS LEU PRO ASN THR VAL LEU SEQRES 5 A 105 GLY LYS ILE TRP LYS LEU ALA ASP VAL ASP LYS ASP GLY SEQRES 6 A 105 LEU LEU ASP ASP GLU GLU PHE ALA LEU ALA ASN HIS LEU SEQRES 7 A 105 ILE LYS VAL LYS LEU GLU GLY HIS GLU LEU PRO ALA ASP SEQRES 8 A 105 LEU PRO PRO HIS LEU VAL PRO PRO SER LYS ARG ARG HIS SEQRES 9 A 105 GLU HET CA A 1 1 HET PHE A 107 192 ATOM 1 N GLY A 35 -31.942 -2.446 -0.703 1.00 9.38 N ATOM 2 CA GLY A 35 -30.930 -2.209 0.353 1.00 9.05 C ATOM 3 C GLY A 35 -30.836 -0.744 0.717 1.00 8.30 C ATOM 4 O GLY A 35 -31.726 0.034 0.368 1.00 8.12 O ATOM 5 HA3 GLY A 35 -29.958 -2.547 -0.006 1.00 0.00 H ATOM 6 HA2 GLY A 35 -31.206 -2.777 1.241 1.00 0.00 H ATOM 7 HN3 GLY A 35 -31.682 -1.912 -1.557 1.00 0.00 H ATOM 8 HN2 GLY A 35 -32.874 -2.131 -0.365 1.00 0.00 H ATOM 9 HN1 GLY A 35 -31.978 -3.461 -0.926 1.00 0.00 H ATOM 10 N PRO A 36 -29.761 -0.335 1.410 1.00 8.11 N ATOM 11 CA PRO A 36 -29.581 1.048 1.857 1.00 7.70 C ATOM 12 C PRO A 36 -29.345 2.012 0.696 1.00 7.38 C ATOM 13 O PRO A 36 -30.040 3.017 0.563 1.00 7.58 O ATOM 14 CB PRO A 36 -28.342 0.994 2.765 1.00 8.01 C ATOM 15 CG PRO A 36 -28.079 -0.456 3.006 1.00 8.60 C ATOM 16 CD PRO A 36 -28.638 -1.185 1.820 1.00 8.63 C ATOM 17 HA PRO A 36 -30.473 1.419 2.362 1.00 0.00 H ATOM 18 HD3 PRO A 36 -27.897 -1.266 1.025 1.00 0.00 H ATOM 19 HD2 PRO A 36 -28.981 -2.181 2.098 1.00 0.00 H ATOM 20 HG3 PRO A 36 -28.575 -0.784 3.920 1.00 0.00 H ATOM 21 HG2 PRO A 36 -27.007 -0.637 3.091 1.00 0.00 H ATOM 22 HB2 PRO A 36 -27.488 1.458 2.271 1.00 0.00 H ATOM 23 HB3 PRO A 36 -28.538 1.506 3.707 1.00 0.00 H ATOM 24 N LEU A 37 -28.365 1.698 -0.143 1.00 7.12 N ATOM 25 CA LEU A 37 -28.017 2.560 -1.263 1.00 6.96 C ATOM 26 C LEU A 37 -28.381 1.908 -2.594 1.00 6.20 C ATOM 27 O LEU A 37 -29.278 2.367 -3.300 1.00 6.23 O ATOM 28 CB LEU A 37 -26.523 2.894 -1.236 1.00 7.31 C ATOM 29 CG LEU A 37 -26.042 3.650 0.004 1.00 8.36 C ATOM 30 CD1 LEU A 37 -24.531 3.816 -0.026 1.00 8.95 C ATOM 31 CD2 LEU A 37 -26.721 5.008 0.099 1.00 8.77 C ATOM 32 HA LEU A 37 -28.590 3.482 -1.165 1.00 0.00 H ATOM 33 HB2 LEU A 37 -25.968 1.958 -1.296 1.00 0.00 H ATOM 34 HB3 LEU A 37 -26.299 3.505 -2.111 1.00 0.00 H ATOM 35 HG LEU A 37 -26.310 3.067 0.885 1.00 0.00 H ATOM 36 HD21 LEU A 37 -26.483 5.595 -0.788 1.00 0.00 H ATOM 37 HD22 LEU A 37 -27.800 4.869 0.165 1.00 0.00 H ATOM 38 HD23 LEU A 37 -26.365 5.529 0.988 1.00 0.00 H ATOM 39 HD11 LEU A 37 -24.059 2.834 -0.048 1.00 0.00 H ATOM 40 HD12 LEU A 37 -24.246 4.377 -0.916 1.00 0.00 H ATOM 41 HD13 LEU A 37 -24.208 4.356 0.864 1.00 0.00 H ATOM 42 H LEU A 37 -27.834 0.816 0.003 1.00 0.00 H ATOM 43 N GLY A 38 -27.683 0.834 -2.934 1.00 5.86 N ATOM 44 CA GLY A 38 -27.922 0.171 -4.200 1.00 5.43 C ATOM 45 C GLY A 38 -27.048 0.728 -5.303 1.00 5.07 C ATOM 46 O GLY A 38 -26.393 -0.025 -6.030 1.00 5.49 O ATOM 47 HA3 GLY A 38 -28.968 0.306 -4.477 1.00 0.00 H ATOM 48 HA2 GLY A 38 -27.712 -0.892 -4.086 1.00 0.00 H ATOM 49 H GLY A 38 -26.958 0.464 -2.287 1.00 0.00 H ATOM 50 N SER A 39 -27.044 2.049 -5.432 1.00 4.69 N ATOM 51 CA SER A 39 -26.203 2.725 -6.408 1.00 4.69 C ATOM 52 C SER A 39 -24.731 2.520 -6.067 1.00 4.06 C ATOM 53 O SER A 39 -23.968 1.966 -6.857 1.00 4.22 O ATOM 54 CB SER A 39 -26.523 4.218 -6.417 1.00 5.41 C ATOM 55 OG SER A 39 -27.917 4.436 -6.287 1.00 6.00 O ATOM 56 HA SER A 39 -26.400 2.305 -7.394 1.00 0.00 H ATOM 57 HB2 SER A 39 -26.180 4.651 -7.356 1.00 0.00 H ATOM 58 HB3 SER A 39 -26.007 4.699 -5.586 1.00 0.00 H ATOM 59 HG SER A 39 -28.100 5.409 -6.295 1.00 0.00 H ATOM 60 H SER A 39 -27.660 2.618 -4.817 1.00 0.00 H ATOM 61 N ASP A 40 -24.347 2.965 -4.876 1.00 3.57 N ATOM 62 CA ASP A 40 -22.978 2.816 -4.411 1.00 3.05 C ATOM 63 C ASP A 40 -22.870 1.607 -3.494 1.00 2.55 C ATOM 64 O ASP A 40 -23.152 1.698 -2.301 1.00 2.56 O ATOM 65 CB ASP A 40 -22.515 4.073 -3.662 1.00 3.16 C ATOM 66 CG ASP A 40 -21.383 4.805 -4.357 1.00 3.40 C ATOM 67 OD1 ASP A 40 -20.221 4.356 -4.241 1.00 3.94 O ATOM 68 OD2 ASP A 40 -21.645 5.819 -5.034 1.00 3.48 O ATOM 69 HA ASP A 40 -22.336 2.673 -5.280 1.00 0.00 H ATOM 70 HB2 ASP A 40 -23.362 4.753 -3.571 1.00 0.00 H ATOM 71 HB3 ASP A 40 -22.178 3.779 -2.668 1.00 0.00 H ATOM 72 H ASP A 40 -25.043 3.432 -4.261 1.00 0.00 H ATOM 73 N ASP A 41 -22.509 0.470 -4.062 1.00 2.34 N ATOM 74 CA ASP A 41 -22.284 -0.735 -3.273 1.00 2.01 C ATOM 75 C ASP A 41 -20.886 -1.255 -3.571 1.00 1.68 C ATOM 76 O ASP A 41 -20.705 -2.287 -4.218 1.00 1.68 O ATOM 77 CB ASP A 41 -23.342 -1.801 -3.585 1.00 2.31 C ATOM 78 CG ASP A 41 -23.540 -2.790 -2.447 1.00 2.68 C ATOM 79 OD1 ASP A 41 -22.817 -3.810 -2.387 1.00 2.81 O ATOM 80 OD2 ASP A 41 -24.435 -2.551 -1.602 1.00 3.28 O ATOM 81 HA ASP A 41 -22.369 -0.498 -2.212 1.00 0.00 H ATOM 82 HB2 ASP A 41 -24.291 -1.302 -3.782 1.00 0.00 H ATOM 83 HB3 ASP A 41 -23.031 -2.351 -4.473 1.00 0.00 H ATOM 84 H ASP A 41 -22.383 0.434 -5.094 1.00 0.00 H ATOM 85 N VAL A 42 -19.897 -0.500 -3.123 1.00 1.48 N ATOM 86 CA VAL A 42 -18.510 -0.794 -3.436 1.00 1.25 C ATOM 87 C VAL A 42 -17.867 -1.635 -2.340 1.00 1.06 C ATOM 88 O VAL A 42 -18.169 -1.476 -1.155 1.00 1.11 O ATOM 89 CB VAL A 42 -17.698 0.508 -3.653 1.00 1.27 C ATOM 90 CG1 VAL A 42 -17.633 1.339 -2.376 1.00 1.77 C ATOM 91 CG2 VAL A 42 -16.299 0.200 -4.176 1.00 1.89 C ATOM 92 HA VAL A 42 -18.499 -1.367 -4.363 1.00 0.00 H ATOM 93 HB VAL A 42 -18.217 1.099 -4.408 1.00 0.00 H ATOM 94 HG11 VAL A 42 -18.643 1.607 -2.067 1.00 0.00 H ATOM 95 HG12 VAL A 42 -17.153 0.757 -1.589 1.00 0.00 H ATOM 96 HG13 VAL A 42 -17.057 2.245 -2.563 1.00 0.00 H ATOM 97 HG21 VAL A 42 -15.772 -0.425 -3.455 1.00 0.00 H ATOM 98 HG22 VAL A 42 -16.376 -0.327 -5.127 1.00 0.00 H ATOM 99 HG23 VAL A 42 -15.752 1.132 -4.319 1.00 0.00 H ATOM 100 H VAL A 42 -20.118 0.326 -2.531 1.00 0.00 H ATOM 101 N GLU A 43 -16.995 -2.542 -2.747 1.00 1.01 N ATOM 102 CA GLU A 43 -16.301 -3.408 -1.814 1.00 0.97 C ATOM 103 C GLU A 43 -14.790 -3.309 -1.998 1.00 0.79 C ATOM 104 O GLU A 43 -14.247 -3.692 -3.036 1.00 0.79 O ATOM 105 CB GLU A 43 -16.779 -4.849 -1.993 1.00 1.16 C ATOM 106 CG GLU A 43 -16.826 -5.301 -3.444 1.00 1.45 C ATOM 107 CD GLU A 43 -17.282 -6.731 -3.593 1.00 1.75 C ATOM 108 OE1 GLU A 43 -18.500 -6.983 -3.482 1.00 1.74 O ATOM 109 OE2 GLU A 43 -16.423 -7.612 -3.807 1.00 2.49 O ATOM 110 HA GLU A 43 -16.531 -3.085 -0.799 1.00 0.00 H ATOM 111 HB2 GLU A 43 -16.101 -5.507 -1.449 1.00 0.00 H ATOM 112 HB3 GLU A 43 -17.781 -4.934 -1.573 1.00 0.00 H ATOM 113 HG2 GLU A 43 -17.516 -4.656 -3.988 1.00 0.00 H ATOM 114 HG3 GLU A 43 -15.828 -5.206 -3.872 1.00 0.00 H ATOM 115 H GLU A 43 -16.802 -2.637 -3.764 1.00 0.00 H ATOM 116 N TRP A 44 -14.119 -2.778 -0.990 1.00 0.66 N ATOM 117 CA TRP A 44 -12.672 -2.672 -1.015 1.00 0.54 C ATOM 118 C TRP A 44 -12.068 -4.063 -0.861 1.00 0.50 C ATOM 119 O TRP A 44 -12.207 -4.691 0.188 1.00 0.52 O ATOM 120 CB TRP A 44 -12.204 -1.744 0.111 1.00 0.51 C ATOM 121 CG TRP A 44 -10.767 -1.314 0.001 1.00 0.50 C ATOM 122 CD1 TRP A 44 -10.076 -1.043 -1.145 1.00 0.52 C ATOM 123 CD2 TRP A 44 -9.855 -1.076 1.084 1.00 0.51 C ATOM 124 NE1 TRP A 44 -8.790 -0.664 -0.844 1.00 0.55 N ATOM 125 CE2 TRP A 44 -8.631 -0.673 0.516 1.00 0.55 C ATOM 126 CE3 TRP A 44 -9.955 -1.164 2.474 1.00 0.55 C ATOM 127 CZ2 TRP A 44 -7.515 -0.363 1.293 1.00 0.60 C ATOM 128 CZ3 TRP A 44 -8.847 -0.853 3.243 1.00 0.60 C ATOM 129 CH2 TRP A 44 -7.642 -0.453 2.652 1.00 0.62 C ATOM 130 HA TRP A 44 -12.343 -2.249 -1.964 1.00 0.00 H ATOM 131 HB2 TRP A 44 -12.830 -0.851 0.100 1.00 0.00 H ATOM 132 HB3 TRP A 44 -12.333 -2.265 1.059 1.00 0.00 H ATOM 133 HE1 TRP A 44 -8.057 -0.411 -1.537 1.00 0.00 H ATOM 134 HD1 TRP A 44 -10.485 -1.117 -2.153 1.00 0.00 H ATOM 135 HZ2 TRP A 44 -6.574 -0.060 0.833 1.00 0.00 H ATOM 136 HH2 TRP A 44 -6.790 -0.209 3.286 1.00 0.00 H ATOM 137 HZ3 TRP A 44 -8.914 -0.921 4.329 1.00 0.00 H ATOM 138 HE3 TRP A 44 -10.889 -1.472 2.945 1.00 0.00 H ATOM 139 H TRP A 44 -14.640 -2.428 -0.161 1.00 0.00 H ATOM 140 N VAL A 45 -11.416 -4.539 -1.922 1.00 0.52 N ATOM 141 CA VAL A 45 -10.901 -5.913 -1.984 1.00 0.54 C ATOM 142 C VAL A 45 -9.996 -6.239 -0.797 1.00 0.49 C ATOM 143 O VAL A 45 -9.947 -7.374 -0.329 1.00 0.68 O ATOM 144 CB VAL A 45 -10.118 -6.155 -3.297 1.00 0.65 C ATOM 145 CG1 VAL A 45 -9.640 -7.601 -3.400 1.00 1.41 C ATOM 146 CG2 VAL A 45 -10.971 -5.783 -4.499 1.00 1.06 C ATOM 147 HA VAL A 45 -11.770 -6.571 -1.950 1.00 0.00 H ATOM 148 HB VAL A 45 -9.235 -5.515 -3.285 1.00 0.00 H ATOM 149 HG11 VAL A 45 -8.985 -7.827 -2.559 1.00 0.00 H ATOM 150 HG12 VAL A 45 -10.501 -8.269 -3.381 1.00 0.00 H ATOM 151 HG13 VAL A 45 -9.094 -7.736 -4.334 1.00 0.00 H ATOM 152 HG21 VAL A 45 -11.874 -6.394 -4.505 1.00 0.00 H ATOM 153 HG22 VAL A 45 -11.244 -4.730 -4.437 1.00 0.00 H ATOM 154 HG23 VAL A 45 -10.405 -5.959 -5.413 1.00 0.00 H ATOM 155 H VAL A 45 -11.266 -3.912 -2.738 1.00 0.00 H ATOM 156 N VAL A 46 -9.289 -5.237 -0.305 1.00 0.37 N ATOM 157 CA VAL A 46 -8.349 -5.433 0.790 1.00 0.34 C ATOM 158 C VAL A 46 -9.072 -5.608 2.113 1.00 0.41 C ATOM 159 O VAL A 46 -8.544 -6.216 3.040 1.00 0.53 O ATOM 160 CB VAL A 46 -7.365 -4.245 0.885 1.00 0.35 C ATOM 161 CG1 VAL A 46 -6.308 -4.474 1.956 1.00 1.01 C ATOM 162 CG2 VAL A 46 -6.706 -3.986 -0.459 1.00 0.91 C ATOM 163 HA VAL A 46 -7.788 -6.344 0.580 1.00 0.00 H ATOM 164 HB VAL A 46 -7.942 -3.366 1.170 1.00 0.00 H ATOM 165 HG11 VAL A 46 -6.794 -4.596 2.924 1.00 0.00 H ATOM 166 HG12 VAL A 46 -5.740 -5.373 1.717 1.00 0.00 H ATOM 167 HG13 VAL A 46 -5.636 -3.616 1.991 1.00 0.00 H ATOM 168 HG21 VAL A 46 -6.158 -4.875 -0.771 1.00 0.00 H ATOM 169 HG22 VAL A 46 -7.472 -3.752 -1.199 1.00 0.00 H ATOM 170 HG23 VAL A 46 -6.018 -3.146 -0.369 1.00 0.00 H ATOM 171 H VAL A 46 -9.407 -4.286 -0.709 1.00 0.00 H ATOM 172 N GLY A 47 -10.298 -5.129 2.182 1.00 0.40 N ATOM 173 CA GLY A 47 -11.037 -5.194 3.421 1.00 0.48 C ATOM 174 C GLY A 47 -11.434 -6.609 3.793 1.00 0.53 C ATOM 175 O GLY A 47 -11.900 -6.850 4.905 1.00 0.62 O ATOM 176 HA3 GLY A 47 -11.941 -4.593 3.320 1.00 0.00 H ATOM 177 HA2 GLY A 47 -10.417 -4.784 4.219 1.00 0.00 H ATOM 178 H GLY A 47 -10.735 -4.702 1.340 1.00 0.00 H ATOM 179 N LYS A 48 -11.252 -7.556 2.874 1.00 0.55 N ATOM 180 CA LYS A 48 -11.620 -8.934 3.152 1.00 0.60 C ATOM 181 C LYS A 48 -10.433 -9.732 3.677 1.00 0.51 C ATOM 182 O LYS A 48 -10.608 -10.784 4.289 1.00 0.54 O ATOM 183 CB LYS A 48 -12.212 -9.622 1.917 1.00 0.75 C ATOM 184 CG LYS A 48 -11.199 -9.944 0.832 1.00 1.13 C ATOM 185 CD LYS A 48 -11.785 -10.902 -0.191 1.00 1.46 C ATOM 186 CE LYS A 48 -10.812 -11.196 -1.323 1.00 1.85 C ATOM 187 NZ LYS A 48 -11.306 -12.288 -2.202 1.00 2.67 N ATOM 188 HA LYS A 48 -12.387 -8.905 3.926 1.00 0.00 H ATOM 189 HB2 LYS A 48 -12.678 -10.554 2.236 1.00 0.00 H ATOM 190 HB3 LYS A 48 -12.971 -8.965 1.491 1.00 0.00 H ATOM 191 HG2 LYS A 48 -10.907 -9.021 0.331 1.00 0.00 H ATOM 192 HG3 LYS A 48 -10.321 -10.402 1.288 1.00 0.00 H ATOM 193 HD2 LYS A 48 -12.038 -11.838 0.308 1.00 0.00 H ATOM 194 HD3 LYS A 48 -12.689 -10.460 -0.610 1.00 0.00 H ATOM 195 HE2 LYS A 48 -9.853 -11.491 -0.897 1.00 0.00 H ATOM 196 HE3 LYS A 48 -10.681 -10.293 -1.920 1.00 0.00 H ATOM 197 HZ1 LYS A 48 -11.428 -13.155 -1.641 1.00 0.00 H ATOM 198 HZ2 LYS A 48 -12.218 -12.011 -2.617 1.00 0.00 H ATOM 199 HZ3 LYS A 48 -10.616 -12.459 -2.961 1.00 0.00 H ATOM 200 H LYS A 48 -10.843 -7.307 1.951 1.00 0.00 H ATOM 201 N ASP A 49 -9.229 -9.229 3.451 1.00 0.46 N ATOM 202 CA ASP A 49 -8.030 -9.924 3.891 1.00 0.49 C ATOM 203 C ASP A 49 -7.063 -8.917 4.506 1.00 0.43 C ATOM 204 O ASP A 49 -5.843 -9.071 4.469 1.00 0.51 O ATOM 205 CB ASP A 49 -7.403 -10.643 2.689 1.00 0.72 C ATOM 206 CG ASP A 49 -6.272 -11.581 3.066 1.00 1.01 C ATOM 207 OD1 ASP A 49 -6.403 -12.295 4.087 1.00 1.71 O ATOM 208 OD2 ASP A 49 -5.243 -11.595 2.353 1.00 1.46 O ATOM 209 HA ASP A 49 -8.272 -10.668 4.650 1.00 0.00 H ATOM 210 HB2 ASP A 49 -8.180 -11.222 2.190 1.00 0.00 H ATOM 211 HB3 ASP A 49 -7.014 -9.892 2.002 1.00 0.00 H ATOM 212 H ASP A 49 -9.140 -8.322 2.950 1.00 0.00 H ATOM 213 N LYS A 50 -7.646 -7.916 5.147 1.00 0.38 N ATOM 214 CA LYS A 50 -6.894 -6.824 5.742 1.00 0.43 C ATOM 215 C LYS A 50 -6.198 -7.249 7.037 1.00 0.40 C ATOM 216 O LYS A 50 -5.025 -6.936 7.212 1.00 0.43 O ATOM 217 CB LYS A 50 -7.817 -5.623 5.976 1.00 0.56 C ATOM 218 CG LYS A 50 -7.137 -4.403 6.582 1.00 0.67 C ATOM 219 CD LYS A 50 -7.387 -4.309 8.082 1.00 1.01 C ATOM 220 CE LYS A 50 -7.002 -2.943 8.643 1.00 0.68 C ATOM 221 NZ LYS A 50 -5.537 -2.692 8.610 1.00 1.20 N ATOM 222 HA LYS A 50 -6.108 -6.534 5.045 1.00 0.00 H ATOM 223 HB2 LYS A 50 -8.244 -5.332 5.017 1.00 0.00 H ATOM 224 HB3 LYS A 50 -8.616 -5.935 6.649 1.00 0.00 H ATOM 225 HG2 LYS A 50 -6.064 -4.472 6.406 1.00 0.00 H ATOM 226 HG3 LYS A 50 -7.526 -3.505 6.101 1.00 0.00 H ATOM 227 HD2 LYS A 50 -8.446 -4.482 8.274 1.00 0.00 H ATOM 228 HD3 LYS A 50 -6.798 -5.075 8.586 1.00 0.00 H ATOM 229 HE2 LYS A 50 -7.341 -2.884 9.677 1.00 0.00 H ATOM 230 HE3 LYS A 50 -7.500 -2.173 8.054 1.00 0.00 H ATOM 231 HZ1 LYS A 50 -5.050 -3.415 9.177 1.00 0.00 H ATOM 232 HZ2 LYS A 50 -5.201 -2.736 7.627 1.00 0.00 H ATOM 233 HZ3 LYS A 50 -5.339 -1.750 9.003 1.00 0.00 H ATOM 234 H LYS A 50 -8.683 -7.911 5.228 1.00 0.00 H ATOM 235 N PRO A 51 -6.890 -7.961 7.968 1.00 0.38 N ATOM 236 CA PRO A 51 -6.291 -8.412 9.233 1.00 0.41 C ATOM 237 C PRO A 51 -4.964 -9.149 9.044 1.00 0.37 C ATOM 238 O PRO A 51 -4.126 -9.149 9.946 1.00 0.39 O ATOM 239 CB PRO A 51 -7.343 -9.355 9.839 1.00 0.48 C ATOM 240 CG PRO A 51 -8.341 -9.591 8.758 1.00 0.62 C ATOM 241 CD PRO A 51 -8.305 -8.366 7.896 1.00 0.39 C ATOM 242 HA PRO A 51 -6.049 -7.561 9.869 1.00 0.00 H ATOM 243 HD3 PRO A 51 -8.596 -8.597 6.871 1.00 0.00 H ATOM 244 HD2 PRO A 51 -8.958 -7.588 8.291 1.00 0.00 H ATOM 245 HG3 PRO A 51 -9.336 -9.728 9.182 1.00 0.00 H ATOM 246 HG2 PRO A 51 -8.071 -10.473 8.177 1.00 0.00 H ATOM 247 HB2 PRO A 51 -6.882 -10.295 10.143 1.00 0.00 H ATOM 248 HB3 PRO A 51 -7.819 -8.890 10.702 1.00 0.00 H ATOM 249 N THR A 52 -4.765 -9.765 7.882 1.00 0.36 N ATOM 250 CA THR A 52 -3.533 -10.488 7.622 1.00 0.37 C ATOM 251 C THR A 52 -2.382 -9.525 7.323 1.00 0.37 C ATOM 252 O THR A 52 -1.295 -9.641 7.901 1.00 0.38 O ATOM 253 CB THR A 52 -3.702 -11.467 6.447 1.00 0.41 C ATOM 254 OG1 THR A 52 -5.029 -12.014 6.460 1.00 0.67 O ATOM 255 CG2 THR A 52 -2.682 -12.593 6.544 1.00 0.72 C ATOM 256 HA THR A 52 -3.295 -11.055 8.522 1.00 0.00 H ATOM 257 HB THR A 52 -3.541 -10.927 5.514 1.00 0.00 H ATOM 258 HG1 THR A 52 -5.133 -12.643 5.703 1.00 0.00 H ATOM 259 HG23 THR A 52 -1.676 -12.172 6.534 1.00 0.00 H ATOM 260 HG21 THR A 52 -2.838 -13.143 7.472 1.00 0.00 H ATOM 261 HG22 THR A 52 -2.804 -13.266 5.696 1.00 0.00 H ATOM 262 H THR A 52 -5.502 -9.728 7.149 1.00 0.00 H ATOM 263 N TYR A 53 -2.631 -8.543 6.454 1.00 0.38 N ATOM 264 CA TYR A 53 -1.607 -7.550 6.130 1.00 0.42 C ATOM 265 C TYR A 53 -1.436 -6.615 7.317 1.00 0.39 C ATOM 266 O TYR A 53 -0.402 -5.975 7.489 1.00 0.40 O ATOM 267 CB TYR A 53 -1.995 -6.712 4.903 1.00 0.49 C ATOM 268 CG TYR A 53 -2.686 -7.470 3.793 1.00 0.50 C ATOM 269 CD1 TYR A 53 -2.183 -8.692 3.366 1.00 0.52 C ATOM 270 CD2 TYR A 53 -3.832 -6.982 3.179 1.00 0.55 C ATOM 271 CE1 TYR A 53 -2.797 -9.406 2.361 1.00 0.57 C ATOM 272 CE2 TYR A 53 -4.452 -7.693 2.170 1.00 0.59 C ATOM 273 CZ TYR A 53 -3.983 -8.824 1.744 1.00 0.59 C ATOM 274 OH TYR A 53 -4.536 -9.608 0.753 1.00 0.65 O ATOM 275 HA TYR A 53 -0.681 -8.081 5.906 1.00 0.00 H ATOM 276 HB3 TYR A 53 -1.085 -6.272 4.495 1.00 0.00 H ATOM 277 HB2 TYR A 53 -2.664 -5.918 5.235 1.00 0.00 H ATOM 278 HD2 TYR A 53 -4.247 -6.026 3.497 1.00 0.00 H ATOM 279 HE2 TYR A 53 -5.360 -7.292 1.720 1.00 0.00 H ATOM 280 HE1 TYR A 53 -2.410 -10.372 2.038 1.00 0.00 H ATOM 281 HD1 TYR A 53 -1.285 -9.094 3.835 1.00 0.00 H ATOM 282 HH TYR A 53 -4.573 -9.093 -0.092 1.00 0.00 H ATOM 283 H TYR A 53 -3.565 -8.483 6.001 1.00 0.00 H ATOM 284 N ASP A 54 -2.475 -6.566 8.131 1.00 0.39 N ATOM 285 CA ASP A 54 -2.494 -5.776 9.349 1.00 0.43 C ATOM 286 C ASP A 54 -1.577 -6.416 10.383 1.00 0.41 C ATOM 287 O ASP A 54 -0.782 -5.742 11.041 1.00 0.43 O ATOM 288 CB ASP A 54 -3.934 -5.712 9.857 1.00 0.52 C ATOM 289 CG ASP A 54 -4.134 -4.776 11.022 1.00 0.60 C ATOM 290 OD1 ASP A 54 -4.126 -3.548 10.806 1.00 1.03 O ATOM 291 OD2 ASP A 54 -4.225 -5.270 12.165 1.00 0.88 O ATOM 292 HA ASP A 54 -2.135 -4.764 9.160 1.00 0.00 H ATOM 293 HB2 ASP A 54 -4.572 -5.381 9.038 1.00 0.00 H ATOM 294 HB3 ASP A 54 -4.233 -6.713 10.167 1.00 0.00 H ATOM 295 H ASP A 54 -3.321 -7.120 7.888 1.00 0.00 H ATOM 296 N GLU A 55 -1.669 -7.738 10.478 1.00 0.40 N ATOM 297 CA GLU A 55 -0.833 -8.515 11.377 1.00 0.44 C ATOM 298 C GLU A 55 0.633 -8.361 10.989 1.00 0.41 C ATOM 299 O GLU A 55 1.493 -8.145 11.841 1.00 0.47 O ATOM 300 CB GLU A 55 -1.255 -9.987 11.339 1.00 0.50 C ATOM 301 CG GLU A 55 -0.624 -10.830 12.426 1.00 0.60 C ATOM 302 CD GLU A 55 -1.565 -11.895 12.939 1.00 1.27 C ATOM 303 OE1 GLU A 55 -2.591 -11.549 13.552 1.00 1.39 O ATOM 304 OE2 GLU A 55 -1.274 -13.095 12.730 1.00 2.15 O ATOM 305 HA GLU A 55 -0.959 -8.146 12.395 1.00 0.00 H ATOM 306 HB2 GLU A 55 -2.338 -10.038 11.449 1.00 0.00 H ATOM 307 HB3 GLU A 55 -0.970 -10.402 10.372 1.00 0.00 H ATOM 308 HG2 GLU A 55 0.267 -11.312 12.024 1.00 0.00 H ATOM 309 HG3 GLU A 55 -0.342 -10.181 13.255 1.00 0.00 H ATOM 310 H GLU A 55 -2.365 -8.235 9.887 1.00 0.00 H ATOM 311 N ILE A 56 0.903 -8.434 9.689 1.00 0.37 N ATOM 312 CA ILE A 56 2.253 -8.244 9.169 1.00 0.37 C ATOM 313 C ILE A 56 2.733 -6.813 9.435 1.00 0.34 C ATOM 314 O ILE A 56 3.921 -6.568 9.657 1.00 0.42 O ATOM 315 CB ILE A 56 2.315 -8.550 7.653 1.00 0.38 C ATOM 316 CG1 ILE A 56 1.825 -9.974 7.387 1.00 0.44 C ATOM 317 CG2 ILE A 56 3.730 -8.375 7.121 1.00 0.37 C ATOM 318 CD1 ILE A 56 1.742 -10.331 5.919 1.00 0.71 C ATOM 319 HA ILE A 56 2.912 -8.942 9.687 1.00 0.00 H ATOM 320 HB ILE A 56 1.666 -7.845 7.133 1.00 0.00 H ATOM 321 HG12 ILE A 56 2.511 -10.669 7.871 1.00 0.00 H ATOM 322 HG13 ILE A 56 0.832 -10.082 7.823 1.00 0.00 H ATOM 323 HD11 ILE A 56 1.050 -9.653 5.420 1.00 0.00 H ATOM 324 HD12 ILE A 56 2.730 -10.240 5.468 1.00 0.00 H ATOM 325 HD13 ILE A 56 1.387 -11.356 5.815 1.00 0.00 H ATOM 326 HG21 ILE A 56 4.054 -7.347 7.285 1.00 0.00 H ATOM 327 HG22 ILE A 56 4.400 -9.057 7.644 1.00 0.00 H ATOM 328 HG23 ILE A 56 3.745 -8.596 6.054 1.00 0.00 H ATOM 329 H ILE A 56 0.129 -8.632 9.023 1.00 0.00 H ATOM 330 N PHE A 57 1.789 -5.879 9.455 1.00 0.29 N ATOM 331 CA PHE A 57 2.089 -4.473 9.700 1.00 0.27 C ATOM 332 C PHE A 57 2.624 -4.291 11.117 1.00 0.29 C ATOM 333 O PHE A 57 3.581 -3.549 11.349 1.00 0.31 O ATOM 334 CB PHE A 57 0.823 -3.627 9.495 1.00 0.26 C ATOM 335 CG PHE A 57 0.974 -2.179 9.854 1.00 0.24 C ATOM 336 CD1 PHE A 57 1.696 -1.323 9.043 1.00 0.25 C ATOM 337 CD2 PHE A 57 0.380 -1.672 10.997 1.00 0.27 C ATOM 338 CE1 PHE A 57 1.826 0.011 9.365 1.00 0.29 C ATOM 339 CE2 PHE A 57 0.508 -0.339 11.324 1.00 0.30 C ATOM 340 CZ PHE A 57 1.232 0.503 10.507 1.00 0.31 C ATOM 341 HA PHE A 57 2.852 -4.143 8.995 1.00 0.00 H ATOM 342 HB2 PHE A 57 0.539 -3.689 8.445 1.00 0.00 H ATOM 343 HB3 PHE A 57 0.029 -4.049 10.111 1.00 0.00 H ATOM 344 HD2 PHE A 57 -0.195 -2.334 11.645 1.00 0.00 H ATOM 345 HE2 PHE A 57 0.037 0.049 12.227 1.00 0.00 H ATOM 346 HZ PHE A 57 1.335 1.557 10.764 1.00 0.00 H ATOM 347 HE1 PHE A 57 2.398 0.676 8.717 1.00 0.00 H ATOM 348 HD1 PHE A 57 2.168 -1.707 8.139 1.00 0.00 H ATOM 349 H PHE A 57 0.801 -6.160 9.290 1.00 0.00 H ATOM 350 N TYR A 58 2.015 -5.000 12.056 1.00 0.32 N ATOM 351 CA TYR A 58 2.412 -4.906 13.453 1.00 0.38 C ATOM 352 C TYR A 58 3.747 -5.597 13.713 1.00 0.42 C ATOM 353 O TYR A 58 4.454 -5.243 14.658 1.00 0.55 O ATOM 354 CB TYR A 58 1.339 -5.505 14.358 1.00 0.48 C ATOM 355 CG TYR A 58 0.113 -4.630 14.527 1.00 0.51 C ATOM 356 CD1 TYR A 58 0.128 -3.532 15.372 1.00 0.67 C ATOM 357 CD2 TYR A 58 -1.060 -4.903 13.831 1.00 0.68 C ATOM 358 CE1 TYR A 58 -0.986 -2.730 15.524 1.00 0.75 C ATOM 359 CE2 TYR A 58 -2.179 -4.099 13.974 1.00 0.75 C ATOM 360 CZ TYR A 58 -2.145 -3.032 14.852 1.00 0.70 C ATOM 361 OH TYR A 58 -3.239 -2.200 14.973 1.00 0.80 O ATOM 362 HA TYR A 58 2.529 -3.847 13.682 1.00 0.00 H ATOM 363 HB3 TYR A 58 1.777 -5.675 15.342 1.00 0.00 H ATOM 364 HB2 TYR A 58 1.024 -6.458 13.932 1.00 0.00 H ATOM 365 HD2 TYR A 58 -1.099 -5.763 13.163 1.00 0.00 H ATOM 366 HE2 TYR A 58 -3.081 -4.307 13.398 1.00 0.00 H ATOM 367 HE1 TYR A 58 -0.945 -1.858 16.177 1.00 0.00 H ATOM 368 HD1 TYR A 58 1.036 -3.297 15.927 1.00 0.00 H ATOM 369 HH TYR A 58 -3.044 -1.495 15.640 1.00 0.00 H ATOM 370 H TYR A 58 1.237 -5.637 11.789 1.00 0.00 H ATOM 371 N THR A 59 4.116 -6.547 12.861 1.00 0.43 N ATOM 372 CA THR A 59 5.351 -7.297 13.067 1.00 0.48 C ATOM 373 C THR A 59 6.570 -6.504 12.602 1.00 0.44 C ATOM 374 O THR A 59 7.704 -6.954 12.752 1.00 0.49 O ATOM 375 CB THR A 59 5.328 -8.669 12.358 1.00 0.53 C ATOM 376 OG1 THR A 59 5.113 -8.510 10.949 1.00 0.51 O ATOM 377 CG2 THR A 59 4.238 -9.553 12.935 1.00 0.61 C ATOM 378 HA THR A 59 5.425 -7.469 14.141 1.00 0.00 H ATOM 379 HB THR A 59 6.297 -9.142 12.520 1.00 0.00 H ATOM 380 HG1 THR A 59 4.246 -8.057 10.798 1.00 0.00 H ATOM 381 HG23 THR A 59 4.400 -9.675 14.006 1.00 0.00 H ATOM 382 HG21 THR A 59 3.267 -9.089 12.764 1.00 0.00 H ATOM 383 HG22 THR A 59 4.267 -10.528 12.448 1.00 0.00 H ATOM 384 H THR A 59 3.518 -6.759 12.037 1.00 0.00 H ATOM 385 N LEU A 60 6.337 -5.317 12.054 1.00 0.37 N ATOM 386 CA LEU A 60 7.431 -4.483 11.572 1.00 0.35 C ATOM 387 C LEU A 60 7.692 -3.320 12.522 1.00 0.38 C ATOM 388 O LEU A 60 8.499 -2.439 12.220 1.00 0.41 O ATOM 389 CB LEU A 60 7.124 -3.951 10.174 1.00 0.30 C ATOM 390 CG LEU A 60 7.082 -5.013 9.072 1.00 0.30 C ATOM 391 CD1 LEU A 60 6.749 -4.384 7.732 1.00 0.29 C ATOM 392 CD2 LEU A 60 8.407 -5.760 8.995 1.00 0.36 C ATOM 393 HA LEU A 60 8.327 -5.102 11.528 1.00 0.00 H ATOM 394 HB2 LEU A 60 6.153 -3.458 10.206 1.00 0.00 H ATOM 395 HB3 LEU A 60 7.892 -3.223 9.913 1.00 0.00 H ATOM 396 HG LEU A 60 6.297 -5.728 9.320 1.00 0.00 H ATOM 397 HD21 LEU A 60 9.208 -5.054 8.775 1.00 0.00 H ATOM 398 HD22 LEU A 60 8.603 -6.249 9.949 1.00 0.00 H ATOM 399 HD23 LEU A 60 8.355 -6.510 8.205 1.00 0.00 H ATOM 400 HD11 LEU A 60 5.775 -3.899 7.792 1.00 0.00 H ATOM 401 HD12 LEU A 60 7.509 -3.645 7.480 1.00 0.00 H ATOM 402 HD13 LEU A 60 6.725 -5.158 6.965 1.00 0.00 H ATOM 403 H LEU A 60 5.358 -4.977 11.967 1.00 0.00 H ATOM 404 N SER A 61 7.011 -3.342 13.668 1.00 0.41 N ATOM 405 CA SER A 61 7.135 -2.299 14.688 1.00 0.45 C ATOM 406 C SER A 61 6.600 -0.960 14.174 1.00 0.42 C ATOM 407 O SER A 61 7.356 -0.116 13.685 1.00 0.43 O ATOM 408 CB SER A 61 8.592 -2.154 15.158 1.00 0.52 C ATOM 409 OG SER A 61 8.728 -1.108 16.108 1.00 1.24 O ATOM 410 HA SER A 61 6.531 -2.601 15.543 1.00 0.00 H ATOM 411 HB2 SER A 61 9.223 -1.935 14.296 1.00 0.00 H ATOM 412 HB3 SER A 61 8.913 -3.091 15.613 1.00 0.00 H ATOM 413 HG SER A 61 8.443 -0.253 15.699 1.00 0.00 H ATOM 414 H SER A 61 6.363 -4.136 13.845 1.00 0.00 H ATOM 415 N PRO A 62 5.279 -0.751 14.270 1.00 0.41 N ATOM 416 CA PRO A 62 4.650 0.475 13.817 1.00 0.39 C ATOM 417 C PRO A 62 4.680 1.577 14.876 1.00 0.49 C ATOM 418 O PRO A 62 4.051 1.464 15.934 1.00 0.59 O ATOM 419 CB PRO A 62 3.215 0.050 13.522 1.00 0.38 C ATOM 420 CG PRO A 62 2.961 -1.161 14.363 1.00 0.46 C ATOM 421 CD PRO A 62 4.300 -1.699 14.819 1.00 0.45 C ATOM 422 HA PRO A 62 5.166 0.902 12.957 1.00 0.00 H ATOM 423 HD3 PRO A 62 4.356 -1.725 15.907 1.00 0.00 H ATOM 424 HD2 PRO A 62 4.469 -2.701 14.424 1.00 0.00 H ATOM 425 HG3 PRO A 62 2.438 -1.917 13.777 1.00 0.00 H ATOM 426 HG2 PRO A 62 2.356 -0.891 15.228 1.00 0.00 H ATOM 427 HB2 PRO A 62 2.521 0.848 13.787 1.00 0.00 H ATOM 428 HB3 PRO A 62 3.101 -0.192 12.465 1.00 0.00 H ATOM 429 N VAL A 63 5.416 2.640 14.580 1.00 0.53 N ATOM 430 CA VAL A 63 5.494 3.796 15.457 1.00 0.65 C ATOM 431 C VAL A 63 4.388 4.786 15.109 1.00 0.68 C ATOM 432 O VAL A 63 4.108 5.013 13.933 1.00 0.67 O ATOM 433 CB VAL A 63 6.874 4.487 15.367 1.00 0.72 C ATOM 434 CG1 VAL A 63 7.967 3.541 15.840 1.00 1.31 C ATOM 435 CG2 VAL A 63 7.164 4.974 13.948 1.00 1.10 C ATOM 436 HA VAL A 63 5.363 3.450 16.482 1.00 0.00 H ATOM 437 HB VAL A 63 6.856 5.361 16.018 1.00 0.00 H ATOM 438 HG11 VAL A 63 7.777 3.256 16.875 1.00 0.00 H ATOM 439 HG12 VAL A 63 7.972 2.650 15.212 1.00 0.00 H ATOM 440 HG13 VAL A 63 8.933 4.041 15.771 1.00 0.00 H ATOM 441 HG21 VAL A 63 7.157 4.124 13.265 1.00 0.00 H ATOM 442 HG22 VAL A 63 6.399 5.689 13.647 1.00 0.00 H ATOM 443 HG23 VAL A 63 8.142 5.454 13.923 1.00 0.00 H ATOM 444 H VAL A 63 5.955 2.646 13.691 1.00 0.00 H ATOM 445 N ASN A 64 3.748 5.336 16.145 1.00 0.77 N ATOM 446 CA ASN A 64 2.583 6.236 16.012 1.00 0.81 C ATOM 447 C ASN A 64 1.536 5.706 15.022 1.00 0.68 C ATOM 448 O ASN A 64 0.720 6.463 14.497 1.00 0.69 O ATOM 449 CB ASN A 64 2.992 7.687 15.662 1.00 0.92 C ATOM 450 CG ASN A 64 3.672 7.846 14.311 1.00 1.15 C ATOM 451 OD1 ASN A 64 3.014 7.996 13.284 1.00 1.89 O ATOM 452 ND2 ASN A 64 4.998 7.867 14.311 1.00 1.51 N ATOM 453 HA ASN A 64 2.116 6.257 16.997 1.00 0.00 H ATOM 454 HB2 ASN A 64 2.093 8.304 15.665 1.00 0.00 H ATOM 455 HB3 ASN A 64 3.677 8.042 16.432 1.00 0.00 H ATOM 456 HD22 ASN A 64 5.520 7.736 15.201 1.00 0.00 H ATOM 457 HD21 ASN A 64 5.516 8.014 13.421 1.00 0.00 H ATOM 458 H ASN A 64 4.090 5.118 17.103 1.00 0.00 H ATOM 459 N GLY A 65 1.537 4.394 14.811 1.00 0.62 N ATOM 460 CA GLY A 65 0.518 3.760 13.997 1.00 0.56 C ATOM 461 C GLY A 65 0.921 3.585 12.545 1.00 0.47 C ATOM 462 O GLY A 65 0.104 3.180 11.719 1.00 0.45 O ATOM 463 HA3 GLY A 65 -0.383 4.373 14.033 1.00 0.00 H ATOM 464 HA2 GLY A 65 0.304 2.777 14.416 1.00 0.00 H ATOM 465 H GLY A 65 2.284 3.810 15.238 1.00 0.00 H ATOM 466 N LYS A 66 2.170 3.895 12.222 1.00 0.51 N ATOM 467 CA LYS A 66 2.665 3.700 10.864 1.00 0.43 C ATOM 468 C LYS A 66 4.024 3.042 10.877 1.00 0.39 C ATOM 469 O LYS A 66 4.628 2.847 11.927 1.00 0.58 O ATOM 470 CB LYS A 66 2.805 5.018 10.091 1.00 0.53 C ATOM 471 CG LYS A 66 1.518 5.780 9.873 1.00 0.86 C ATOM 472 CD LYS A 66 1.173 6.599 11.087 1.00 0.99 C ATOM 473 CE LYS A 66 1.007 8.055 10.730 1.00 1.12 C ATOM 474 NZ LYS A 66 -0.166 8.278 9.837 1.00 1.81 N ATOM 475 HA LYS A 66 1.926 3.069 10.370 1.00 0.00 H ATOM 476 HB2 LYS A 66 3.488 5.662 10.644 1.00 0.00 H ATOM 477 HB3 LYS A 66 3.232 4.792 9.114 1.00 0.00 H ATOM 478 HG2 LYS A 66 1.635 6.443 9.015 1.00 0.00 H ATOM 479 HG3 LYS A 66 0.712 5.073 9.677 1.00 0.00 H ATOM 480 HD2 LYS A 66 0.241 6.228 11.514 1.00 0.00 H ATOM 481 HD3 LYS A 66 1.972 6.501 11.822 1.00 0.00 H ATOM 482 HE2 LYS A 66 1.908 8.398 10.221 1.00 0.00 H ATOM 483 HE3 LYS A 66 0.867 8.629 11.646 1.00 0.00 H ATOM 484 HZ1 LYS A 66 -0.038 7.739 8.957 1.00 0.00 H ATOM 485 HZ2 LYS A 66 -1.031 7.959 10.317 1.00 0.00 H ATOM 486 HZ3 LYS A 66 -0.244 9.291 9.616 1.00 0.00 H ATOM 487 H LYS A 66 2.806 4.283 12.948 1.00 0.00 H ATOM 488 N ILE A 67 4.505 2.724 9.698 1.00 0.26 N ATOM 489 CA ILE A 67 5.856 2.240 9.536 1.00 0.27 C ATOM 490 C ILE A 67 6.598 3.125 8.556 1.00 0.28 C ATOM 491 O ILE A 67 5.999 3.707 7.640 1.00 0.30 O ATOM 492 CB ILE A 67 5.911 0.773 9.061 1.00 0.26 C ATOM 493 CG1 ILE A 67 4.994 0.555 7.857 1.00 0.22 C ATOM 494 CG2 ILE A 67 5.549 -0.172 10.197 1.00 0.30 C ATOM 495 CD1 ILE A 67 5.077 -0.842 7.295 1.00 0.24 C ATOM 496 HA ILE A 67 6.333 2.276 10.516 1.00 0.00 H ATOM 497 HB ILE A 67 6.932 0.554 8.749 1.00 0.00 H ATOM 498 HG12 ILE A 67 3.966 0.745 8.165 1.00 0.00 H ATOM 499 HG13 ILE A 67 5.274 1.261 7.075 1.00 0.00 H ATOM 500 HD11 ILE A 67 6.099 -1.043 6.973 1.00 0.00 H ATOM 501 HD12 ILE A 67 4.790 -1.559 8.064 1.00 0.00 H ATOM 502 HD13 ILE A 67 4.402 -0.930 6.443 1.00 0.00 H ATOM 503 HG21 ILE A 67 6.255 -0.039 11.017 1.00 0.00 H ATOM 504 HG22 ILE A 67 4.540 0.050 10.545 1.00 0.00 H ATOM 505 HG23 ILE A 67 5.594 -1.201 9.840 1.00 0.00 H ATOM 506 H ILE A 67 3.898 2.823 8.859 1.00 0.00 H ATOM 507 N THR A 68 7.894 3.248 8.768 1.00 0.30 N ATOM 508 CA THR A 68 8.729 4.061 7.909 1.00 0.34 C ATOM 509 C THR A 68 9.141 3.269 6.679 1.00 0.32 C ATOM 510 O THR A 68 8.777 2.095 6.536 1.00 0.32 O ATOM 511 CB THR A 68 9.995 4.549 8.648 1.00 0.39 C ATOM 512 OG1 THR A 68 10.824 3.434 9.005 1.00 0.44 O ATOM 513 CG2 THR A 68 9.628 5.327 9.903 1.00 0.39 C ATOM 514 HA THR A 68 8.145 4.932 7.611 1.00 0.00 H ATOM 515 HB THR A 68 10.542 5.208 7.974 1.00 0.00 H ATOM 516 HG1 THR A 68 10.318 2.824 9.598 1.00 0.00 H ATOM 517 HG23 THR A 68 8.998 6.174 9.632 1.00 0.00 H ATOM 518 HG21 THR A 68 9.087 4.675 10.588 1.00 0.00 H ATOM 519 HG22 THR A 68 10.537 5.688 10.384 1.00 0.00 H ATOM 520 H THR A 68 8.326 2.749 9.571 1.00 0.00 H ATOM 521 N GLY A 69 9.897 3.906 5.800 1.00 0.33 N ATOM 522 CA GLY A 69 10.375 3.235 4.613 1.00 0.32 C ATOM 523 C GLY A 69 11.215 2.015 4.941 1.00 0.29 C ATOM 524 O GLY A 69 11.159 1.022 4.233 1.00 0.30 O ATOM 525 HA3 GLY A 69 10.981 3.933 4.035 1.00 0.00 H ATOM 526 HA2 GLY A 69 9.517 2.921 4.018 1.00 0.00 H ATOM 527 H GLY A 69 10.150 4.901 5.965 1.00 0.00 H ATOM 528 N ALA A 70 11.965 2.087 6.041 1.00 0.31 N ATOM 529 CA ALA A 70 12.885 1.019 6.436 1.00 0.30 C ATOM 530 C ALA A 70 12.160 -0.300 6.688 1.00 0.27 C ATOM 531 O ALA A 70 12.619 -1.369 6.277 1.00 0.30 O ATOM 532 CB ALA A 70 13.661 1.437 7.678 1.00 0.34 C ATOM 533 HA ALA A 70 13.576 0.856 5.609 1.00 0.00 H ATOM 534 HB1 ALA A 70 14.230 2.341 7.462 1.00 0.00 H ATOM 535 HB2 ALA A 70 12.963 1.631 8.493 1.00 0.00 H ATOM 536 HB3 ALA A 70 14.343 0.637 7.965 1.00 0.00 H ATOM 537 H ALA A 70 11.894 2.934 6.641 1.00 0.00 H ATOM 538 N ASN A 71 11.014 -0.215 7.338 1.00 0.29 N ATOM 539 CA ASN A 71 10.300 -1.402 7.778 1.00 0.31 C ATOM 540 C ASN A 71 9.604 -2.064 6.600 1.00 0.22 C ATOM 541 O ASN A 71 9.711 -3.277 6.389 1.00 0.20 O ATOM 542 CB ASN A 71 9.295 -1.032 8.870 1.00 0.42 C ATOM 543 CG ASN A 71 9.836 0.059 9.777 1.00 0.74 C ATOM 544 OD1 ASN A 71 9.472 1.225 9.650 1.00 1.65 O ATOM 545 ND2 ASN A 71 10.753 -0.297 10.652 1.00 0.36 N ATOM 546 HA ASN A 71 11.013 -2.114 8.194 1.00 0.00 H ATOM 547 HB2 ASN A 71 8.376 -0.680 8.402 1.00 0.00 H ATOM 548 HB3 ASN A 71 9.080 -1.917 9.469 1.00 0.00 H ATOM 549 HD22 ASN A 71 11.036 -1.294 10.732 1.00 0.00 H ATOM 550 HD21 ASN A 71 11.194 0.419 11.264 1.00 0.00 H ATOM 551 H ASN A 71 10.613 0.723 7.540 1.00 0.00 H ATOM 552 N ALA A 72 8.916 -1.261 5.807 1.00 0.23 N ATOM 553 CA ALA A 72 8.258 -1.770 4.619 1.00 0.22 C ATOM 554 C ALA A 72 9.294 -2.173 3.573 1.00 0.21 C ATOM 555 O ALA A 72 9.023 -3.007 2.708 1.00 0.25 O ATOM 556 CB ALA A 72 7.289 -0.742 4.063 1.00 0.27 C ATOM 557 HA ALA A 72 7.684 -2.657 4.889 1.00 0.00 H ATOM 558 HB1 ALA A 72 6.534 -0.512 4.815 1.00 0.00 H ATOM 559 HB2 ALA A 72 7.834 0.166 3.804 1.00 0.00 H ATOM 560 HB3 ALA A 72 6.806 -1.144 3.172 1.00 0.00 H ATOM 561 H ALA A 72 8.845 -0.250 6.038 1.00 0.00 H ATOM 562 N LYS A 73 10.491 -1.594 3.675 1.00 0.23 N ATOM 563 CA LYS A 73 11.576 -1.924 2.763 1.00 0.29 C ATOM 564 C LYS A 73 12.041 -3.343 3.005 1.00 0.29 C ATOM 565 O LYS A 73 12.057 -4.147 2.085 1.00 0.32 O ATOM 566 CB LYS A 73 12.760 -0.962 2.909 1.00 0.37 C ATOM 567 CG LYS A 73 13.898 -1.246 1.938 1.00 0.48 C ATOM 568 CD LYS A 73 15.112 -0.367 2.209 1.00 0.61 C ATOM 569 CE LYS A 73 14.822 1.111 1.990 1.00 1.13 C ATOM 570 NZ LYS A 73 16.042 1.945 2.176 1.00 1.52 N ATOM 571 HA LYS A 73 11.191 -1.828 1.748 1.00 0.00 H ATOM 572 HB2 LYS A 73 12.403 0.053 2.735 1.00 0.00 H ATOM 573 HB3 LYS A 73 13.146 -1.041 3.925 1.00 0.00 H ATOM 574 HG2 LYS A 73 14.191 -2.291 2.035 1.00 0.00 H ATOM 575 HG3 LYS A 73 13.549 -1.061 0.922 1.00 0.00 H ATOM 576 HD2 LYS A 73 15.426 -0.513 3.243 1.00 0.00 H ATOM 577 HD3 LYS A 73 15.918 -0.668 1.540 1.00 0.00 H ATOM 578 HE2 LYS A 73 14.062 1.432 2.703 1.00 0.00 H ATOM 579 HE3 LYS A 73 14.449 1.252 0.976 1.00 0.00 H ATOM 580 HZ1 LYS A 73 16.401 1.821 3.144 1.00 0.00 H ATOM 581 HZ2 LYS A 73 16.770 1.649 1.495 1.00 0.00 H ATOM 582 HZ3 LYS A 73 15.804 2.945 2.018 1.00 0.00 H ATOM 583 H LYS A 73 10.653 -0.890 4.424 1.00 0.00 H ATOM 584 N LYS A 74 12.396 -3.657 4.252 1.00 0.31 N ATOM 585 CA LYS A 74 12.854 -5.002 4.595 1.00 0.35 C ATOM 586 C LYS A 74 11.768 -6.031 4.267 1.00 0.28 C ATOM 587 O LYS A 74 12.067 -7.160 3.860 1.00 0.33 O ATOM 588 CB LYS A 74 13.258 -5.088 6.075 1.00 0.48 C ATOM 589 CG LYS A 74 12.121 -4.803 7.044 1.00 0.79 C ATOM 590 CD LYS A 74 12.590 -4.771 8.486 1.00 0.72 C ATOM 591 CE LYS A 74 13.626 -3.686 8.712 1.00 1.14 C ATOM 592 NZ LYS A 74 14.058 -3.628 10.130 1.00 1.14 N ATOM 593 HA LYS A 74 13.737 -5.226 3.997 1.00 0.00 H ATOM 594 HB2 LYS A 74 13.632 -6.093 6.271 1.00 0.00 H ATOM 595 HB3 LYS A 74 14.053 -4.364 6.256 1.00 0.00 H ATOM 596 HG2 LYS A 74 11.682 -3.837 6.796 1.00 0.00 H ATOM 597 HG3 LYS A 74 11.366 -5.582 6.938 1.00 0.00 H ATOM 598 HD2 LYS A 74 11.733 -4.583 9.133 1.00 0.00 H ATOM 599 HD3 LYS A 74 13.028 -5.737 8.737 1.00 0.00 H ATOM 600 HE2 LYS A 74 13.197 -2.724 8.433 1.00 0.00 H ATOM 601 HE3 LYS A 74 14.494 -3.890 8.086 1.00 0.00 H ATOM 602 HZ1 LYS A 74 13.235 -3.427 10.734 1.00 0.00 H ATOM 603 HZ2 LYS A 74 14.475 -4.541 10.402 1.00 0.00 H ATOM 604 HZ3 LYS A 74 14.766 -2.875 10.245 1.00 0.00 H ATOM 605 H LYS A 74 12.346 -2.931 4.995 1.00 0.00 H ATOM 606 N GLU A 75 10.506 -5.620 4.414 1.00 0.24 N ATOM 607 CA GLU A 75 9.378 -6.472 4.052 1.00 0.21 C ATOM 608 C GLU A 75 9.438 -6.821 2.563 1.00 0.18 C ATOM 609 O GLU A 75 9.445 -7.996 2.178 1.00 0.22 O ATOM 610 CB GLU A 75 8.058 -5.758 4.364 1.00 0.30 C ATOM 611 CG GLU A 75 6.826 -6.613 4.111 1.00 0.41 C ATOM 612 CD GLU A 75 6.846 -7.883 4.931 1.00 1.13 C ATOM 613 OE1 GLU A 75 6.683 -7.802 6.159 1.00 1.78 O ATOM 614 OE2 GLU A 75 7.087 -8.964 4.362 1.00 1.27 O ATOM 615 HA GLU A 75 9.433 -7.391 4.635 1.00 0.00 H ATOM 616 HB2 GLU A 75 8.064 -5.465 5.414 1.00 0.00 H ATOM 617 HB3 GLU A 75 7.993 -4.867 3.740 1.00 0.00 H ATOM 618 HG2 GLU A 75 5.937 -6.038 4.372 1.00 0.00 H ATOM 619 HG3 GLU A 75 6.790 -6.876 3.054 1.00 0.00 H ATOM 620 H GLU A 75 10.323 -4.670 4.796 1.00 0.00 H ATOM 621 N MET A 76 9.533 -5.791 1.734 1.00 0.22 N ATOM 622 CA MET A 76 9.578 -5.975 0.290 1.00 0.28 C ATOM 623 C MET A 76 10.904 -6.590 -0.137 1.00 0.30 C ATOM 624 O MET A 76 10.997 -7.229 -1.185 1.00 0.35 O ATOM 625 CB MET A 76 9.342 -4.648 -0.431 1.00 0.39 C ATOM 626 CG MET A 76 7.949 -4.086 -0.208 1.00 0.46 C ATOM 627 SD MET A 76 7.572 -2.706 -1.305 1.00 0.79 S ATOM 628 CE MET A 76 5.973 -2.203 -0.677 1.00 0.86 C ATOM 629 HA MET A 76 8.780 -6.663 0.011 1.00 0.00 H ATOM 630 HB2 MET A 76 10.071 -3.922 -0.069 1.00 0.00 H ATOM 631 HB3 MET A 76 9.486 -4.804 -1.500 1.00 0.00 H ATOM 632 HG2 MET A 76 7.872 -3.743 0.824 1.00 0.00 H ATOM 633 HG3 MET A 76 7.221 -4.879 -0.381 1.00 0.00 H ATOM 634 HE1 MET A 76 5.272 -3.034 -0.764 1.00 0.00 H ATOM 635 HE2 MET A 76 6.069 -1.915 0.370 1.00 0.00 H ATOM 636 HE3 MET A 76 5.607 -1.355 -1.256 1.00 0.00 H ATOM 637 H MET A 76 9.576 -4.828 2.124 1.00 0.00 H ATOM 638 N VAL A 77 11.914 -6.426 0.701 1.00 0.29 N ATOM 639 CA VAL A 77 13.225 -6.992 0.454 1.00 0.38 C ATOM 640 C VAL A 77 13.156 -8.498 0.429 1.00 0.36 C ATOM 641 O VAL A 77 13.670 -9.136 -0.490 1.00 0.47 O ATOM 642 CB VAL A 77 14.250 -6.516 1.511 1.00 0.54 C ATOM 643 CG1 VAL A 77 15.420 -7.474 1.622 1.00 1.52 C ATOM 644 CG2 VAL A 77 14.750 -5.119 1.173 1.00 1.06 C ATOM 645 HA VAL A 77 13.561 -6.641 -0.522 1.00 0.00 H ATOM 646 HB VAL A 77 13.743 -6.491 2.475 1.00 0.00 H ATOM 647 HG11 VAL A 77 15.055 -8.459 1.914 1.00 0.00 H ATOM 648 HG12 VAL A 77 15.924 -7.543 0.658 1.00 0.00 H ATOM 649 HG13 VAL A 77 16.119 -7.107 2.374 1.00 0.00 H ATOM 650 HG21 VAL A 77 15.229 -5.133 0.194 1.00 0.00 H ATOM 651 HG22 VAL A 77 13.908 -4.427 1.157 1.00 0.00 H ATOM 652 HG23 VAL A 77 15.470 -4.800 1.927 1.00 0.00 H ATOM 653 H VAL A 77 11.762 -5.871 1.568 1.00 0.00 H ATOM 654 N LYS A 78 12.494 -9.076 1.408 1.00 0.36 N ATOM 655 CA LYS A 78 12.469 -10.513 1.492 1.00 0.48 C ATOM 656 C LYS A 78 11.229 -11.100 0.815 1.00 0.44 C ATOM 657 O LYS A 78 11.073 -12.318 0.752 1.00 0.54 O ATOM 658 CB LYS A 78 12.605 -10.963 2.945 1.00 0.69 C ATOM 659 CG LYS A 78 11.301 -11.292 3.651 1.00 0.98 C ATOM 660 CD LYS A 78 10.645 -10.069 4.259 1.00 1.62 C ATOM 661 CE LYS A 78 9.900 -10.458 5.524 1.00 2.45 C ATOM 662 NZ LYS A 78 9.147 -9.330 6.128 1.00 3.33 N ATOM 663 HA LYS A 78 13.327 -10.902 0.943 1.00 0.00 H ATOM 664 HB2 LYS A 78 13.232 -11.854 2.964 1.00 0.00 H ATOM 665 HB3 LYS A 78 13.096 -10.164 3.500 1.00 0.00 H ATOM 666 HG2 LYS A 78 10.615 -11.735 2.929 1.00 0.00 H ATOM 667 HG3 LYS A 78 11.505 -12.011 4.445 1.00 0.00 H ATOM 668 HD2 LYS A 78 11.410 -9.331 4.502 1.00 0.00 H ATOM 669 HD3 LYS A 78 9.943 -9.641 3.543 1.00 0.00 H ATOM 670 HE2 LYS A 78 10.623 -10.823 6.254 1.00 0.00 H ATOM 671 HE3 LYS A 78 9.196 -11.254 5.281 1.00 0.00 H ATOM 672 HZ1 LYS A 78 9.808 -8.566 6.374 1.00 0.00 H ATOM 673 HZ2 LYS A 78 8.446 -8.978 5.445 1.00 0.00 H ATOM 674 HZ3 LYS A 78 8.661 -9.659 6.987 1.00 0.00 H ATOM 675 H LYS A 78 11.993 -8.500 2.115 1.00 0.00 H ATOM 676 N SER A 79 10.357 -10.233 0.290 1.00 0.36 N ATOM 677 CA SER A 79 9.223 -10.696 -0.515 1.00 0.41 C ATOM 678 C SER A 79 9.722 -11.313 -1.825 1.00 0.38 C ATOM 679 O SER A 79 9.008 -12.080 -2.474 1.00 0.49 O ATOM 680 CB SER A 79 8.247 -9.547 -0.808 1.00 0.45 C ATOM 681 OG SER A 79 8.803 -8.599 -1.707 1.00 0.91 O ATOM 682 HA SER A 79 8.690 -11.456 0.056 1.00 0.00 H ATOM 683 HB2 SER A 79 8.002 -9.045 0.128 1.00 0.00 H ATOM 684 HB3 SER A 79 7.338 -9.959 -1.247 1.00 0.00 H ATOM 685 HG SER A 79 9.626 -8.215 -1.313 1.00 0.00 H ATOM 686 H SER A 79 10.485 -9.214 0.455 1.00 0.00 H ATOM 687 N LYS A 80 10.962 -10.963 -2.187 1.00 0.32 N ATOM 688 CA LYS A 80 11.654 -11.503 -3.363 1.00 0.39 C ATOM 689 C LYS A 80 11.121 -10.887 -4.657 1.00 0.35 C ATOM 690 O LYS A 80 11.263 -11.459 -5.738 1.00 0.45 O ATOM 691 CB LYS A 80 11.543 -13.035 -3.414 1.00 0.57 C ATOM 692 CG LYS A 80 12.780 -13.724 -3.966 1.00 0.93 C ATOM 693 CD LYS A 80 13.951 -13.593 -3.006 1.00 1.47 C ATOM 694 CE LYS A 80 15.213 -14.234 -3.557 1.00 2.17 C ATOM 695 NZ LYS A 80 16.297 -14.270 -2.544 1.00 2.97 N ATOM 696 HA LYS A 80 12.707 -11.236 -3.271 1.00 0.00 H ATOM 697 HB2 LYS A 80 11.369 -13.401 -2.402 1.00 0.00 H ATOM 698 HB3 LYS A 80 10.694 -13.297 -4.045 1.00 0.00 H ATOM 699 HG2 LYS A 80 12.561 -14.781 -4.120 1.00 0.00 H ATOM 700 HG3 LYS A 80 13.047 -13.267 -4.919 1.00 0.00 H ATOM 701 HD2 LYS A 80 14.143 -12.535 -2.827 1.00 0.00 H ATOM 702 HD3 LYS A 80 13.691 -14.078 -2.065 1.00 0.00 H ATOM 703 HE2 LYS A 80 15.554 -13.661 -4.419 1.00 0.00 H ATOM 704 HE3 LYS A 80 14.985 -15.254 -3.868 1.00 0.00 H ATOM 705 HZ1 LYS A 80 16.525 -13.300 -2.247 1.00 0.00 H ATOM 706 HZ2 LYS A 80 15.982 -14.821 -1.720 1.00 0.00 H ATOM 707 HZ3 LYS A 80 17.142 -14.714 -2.957 1.00 0.00 H ATOM 708 H LYS A 80 11.465 -10.267 -1.600 1.00 0.00 H ATOM 709 N LEU A 81 10.529 -9.711 -4.553 1.00 0.34 N ATOM 710 CA LEU A 81 10.069 -8.987 -5.732 1.00 0.33 C ATOM 711 C LEU A 81 11.157 -8.038 -6.229 1.00 0.30 C ATOM 712 O LEU A 81 11.989 -7.579 -5.447 1.00 0.33 O ATOM 713 CB LEU A 81 8.790 -8.199 -5.428 1.00 0.36 C ATOM 714 CG LEU A 81 7.472 -8.979 -5.522 1.00 0.51 C ATOM 715 CD1 LEU A 81 7.429 -10.124 -4.529 1.00 1.07 C ATOM 716 CD2 LEU A 81 6.296 -8.043 -5.298 1.00 1.41 C ATOM 717 HA LEU A 81 9.848 -9.717 -6.511 1.00 0.00 H ATOM 718 HB2 LEU A 81 8.873 -7.808 -4.414 1.00 0.00 H ATOM 719 HB3 LEU A 81 8.736 -7.369 -6.132 1.00 0.00 H ATOM 720 HG LEU A 81 7.406 -9.407 -6.522 1.00 0.00 H ATOM 721 HD21 LEU A 81 6.376 -7.591 -4.309 1.00 0.00 H ATOM 722 HD22 LEU A 81 6.305 -7.261 -6.058 1.00 0.00 H ATOM 723 HD23 LEU A 81 5.366 -8.607 -5.367 1.00 0.00 H ATOM 724 HD11 LEU A 81 8.251 -10.810 -4.732 1.00 0.00 H ATOM 725 HD12 LEU A 81 7.525 -9.730 -3.517 1.00 0.00 H ATOM 726 HD13 LEU A 81 6.480 -10.652 -4.626 1.00 0.00 H ATOM 727 H LEU A 81 10.388 -9.293 -3.611 1.00 0.00 H ATOM 728 N PRO A 82 11.178 -7.751 -7.542 1.00 0.30 N ATOM 729 CA PRO A 82 12.133 -6.807 -8.130 1.00 0.31 C ATOM 730 C PRO A 82 12.012 -5.401 -7.542 1.00 0.29 C ATOM 731 O PRO A 82 10.919 -4.953 -7.190 1.00 0.25 O ATOM 732 CB PRO A 82 11.769 -6.791 -9.619 1.00 0.32 C ATOM 733 CG PRO A 82 10.412 -7.393 -9.711 1.00 0.30 C ATOM 734 CD PRO A 82 10.295 -8.345 -8.558 1.00 0.31 C ATOM 735 HA PRO A 82 13.161 -7.111 -7.933 1.00 0.00 H ATOM 736 HD3 PRO A 82 9.267 -8.401 -8.199 1.00 0.00 H ATOM 737 HD2 PRO A 82 10.635 -9.342 -8.838 1.00 0.00 H ATOM 738 HG3 PRO A 82 10.299 -7.927 -10.655 1.00 0.00 H ATOM 739 HG2 PRO A 82 9.649 -6.618 -9.640 1.00 0.00 H ATOM 740 HB2 PRO A 82 11.757 -5.768 -9.996 1.00 0.00 H ATOM 741 HB3 PRO A 82 12.485 -7.380 -10.192 1.00 0.00 H ATOM 742 N ASN A 83 13.145 -4.706 -7.484 1.00 0.35 N ATOM 743 CA ASN A 83 13.230 -3.366 -6.903 1.00 0.41 C ATOM 744 C ASN A 83 12.246 -2.410 -7.574 1.00 0.34 C ATOM 745 O ASN A 83 11.621 -1.576 -6.915 1.00 0.37 O ATOM 746 CB ASN A 83 14.659 -2.836 -7.070 1.00 0.56 C ATOM 747 CG ASN A 83 14.850 -1.423 -6.544 1.00 1.03 C ATOM 748 OD1 ASN A 83 15.576 -0.626 -7.138 1.00 2.05 O ATOM 749 ND2 ASN A 83 14.230 -1.106 -5.419 1.00 1.13 N ATOM 750 HA ASN A 83 12.973 -3.428 -5.846 1.00 0.00 H ATOM 751 HB2 ASN A 83 15.337 -3.499 -6.533 1.00 0.00 H ATOM 752 HB3 ASN A 83 14.908 -2.846 -8.131 1.00 0.00 H ATOM 753 HD22 ASN A 83 13.624 -1.805 -4.944 1.00 0.00 H ATOM 754 HD21 ASN A 83 14.349 -0.157 -5.009 1.00 0.00 H ATOM 755 H ASN A 83 14.010 -5.135 -7.870 1.00 0.00 H ATOM 756 N THR A 84 12.114 -2.539 -8.884 1.00 0.30 N ATOM 757 CA THR A 84 11.215 -1.698 -9.657 1.00 0.30 C ATOM 758 C THR A 84 9.762 -1.870 -9.204 1.00 0.26 C ATOM 759 O THR A 84 9.044 -0.889 -9.003 1.00 0.30 O ATOM 760 CB THR A 84 11.338 -2.030 -11.153 1.00 0.32 C ATOM 761 OG1 THR A 84 12.725 -2.094 -11.507 1.00 0.67 O ATOM 762 CG2 THR A 84 10.639 -0.983 -12.009 1.00 0.84 C ATOM 763 HA THR A 84 11.501 -0.660 -9.490 1.00 0.00 H ATOM 764 HB THR A 84 10.858 -2.991 -11.336 1.00 0.00 H ATOM 765 HG1 THR A 84 12.809 -2.308 -12.470 1.00 0.00 H ATOM 766 HG23 THR A 84 9.585 -0.938 -11.736 1.00 0.00 H ATOM 767 HG21 THR A 84 11.101 -0.010 -11.841 1.00 0.00 H ATOM 768 HG22 THR A 84 10.732 -1.254 -13.061 1.00 0.00 H ATOM 769 H THR A 84 12.671 -3.266 -9.377 1.00 0.00 H ATOM 770 N VAL A 85 9.342 -3.120 -9.029 1.00 0.22 N ATOM 771 CA VAL A 85 7.983 -3.412 -8.585 1.00 0.21 C ATOM 772 C VAL A 85 7.758 -2.875 -7.177 1.00 0.21 C ATOM 773 O VAL A 85 6.717 -2.295 -6.893 1.00 0.23 O ATOM 774 CB VAL A 85 7.672 -4.932 -8.612 1.00 0.20 C ATOM 775 CG1 VAL A 85 6.354 -5.234 -7.918 1.00 0.26 C ATOM 776 CG2 VAL A 85 7.630 -5.451 -10.040 1.00 0.22 C ATOM 777 HA VAL A 85 7.307 -2.917 -9.283 1.00 0.00 H ATOM 778 HB VAL A 85 8.473 -5.439 -8.075 1.00 0.00 H ATOM 779 HG11 VAL A 85 6.408 -4.907 -6.880 1.00 0.00 H ATOM 780 HG12 VAL A 85 5.548 -4.704 -8.425 1.00 0.00 H ATOM 781 HG13 VAL A 85 6.164 -6.307 -7.953 1.00 0.00 H ATOM 782 HG21 VAL A 85 6.854 -4.924 -10.594 1.00 0.00 H ATOM 783 HG22 VAL A 85 8.596 -5.282 -10.515 1.00 0.00 H ATOM 784 HG23 VAL A 85 7.410 -6.519 -10.031 1.00 0.00 H ATOM 785 H VAL A 85 9.997 -3.907 -9.213 1.00 0.00 H ATOM 786 N LEU A 86 8.747 -3.059 -6.309 1.00 0.21 N ATOM 787 CA LEU A 86 8.656 -2.596 -4.925 1.00 0.24 C ATOM 788 C LEU A 86 8.403 -1.091 -4.875 1.00 0.28 C ATOM 789 O LEU A 86 7.528 -0.616 -4.144 1.00 0.29 O ATOM 790 CB LEU A 86 9.945 -2.937 -4.173 1.00 0.26 C ATOM 791 CG LEU A 86 10.353 -4.413 -4.223 1.00 0.22 C ATOM 792 CD1 LEU A 86 11.637 -4.643 -3.441 1.00 0.28 C ATOM 793 CD2 LEU A 86 9.234 -5.297 -3.694 1.00 0.27 C ATOM 794 HA LEU A 86 7.818 -3.102 -4.446 1.00 0.00 H ATOM 795 HB2 LEU A 86 10.754 -2.347 -4.604 1.00 0.00 H ATOM 796 HB3 LEU A 86 9.811 -2.658 -3.128 1.00 0.00 H ATOM 797 HG LEU A 86 10.536 -4.682 -5.263 1.00 0.00 H ATOM 798 HD21 LEU A 86 9.016 -5.026 -2.661 1.00 0.00 H ATOM 799 HD22 LEU A 86 8.342 -5.156 -4.304 1.00 0.00 H ATOM 800 HD23 LEU A 86 9.545 -6.341 -3.739 1.00 0.00 H ATOM 801 HD11 LEU A 86 12.437 -4.041 -3.873 1.00 0.00 H ATOM 802 HD12 LEU A 86 11.484 -4.354 -2.401 1.00 0.00 H ATOM 803 HD13 LEU A 86 11.907 -5.698 -3.491 1.00 0.00 H ATOM 804 H LEU A 86 9.611 -3.546 -6.623 1.00 0.00 H ATOM 805 N GLY A 87 9.162 -0.347 -5.670 1.00 0.31 N ATOM 806 CA GLY A 87 8.987 1.091 -5.732 1.00 0.36 C ATOM 807 C GLY A 87 7.633 1.478 -6.295 1.00 0.31 C ATOM 808 O GLY A 87 7.023 2.460 -5.873 1.00 0.31 O ATOM 809 HA3 GLY A 87 9.766 1.513 -6.367 1.00 0.00 H ATOM 810 HA2 GLY A 87 9.079 1.500 -4.726 1.00 0.00 H ATOM 811 H GLY A 87 9.891 -0.801 -6.256 1.00 0.00 H ATOM 812 N LYS A 88 7.153 0.682 -7.236 1.00 0.29 N ATOM 813 CA LYS A 88 5.879 0.935 -7.889 1.00 0.26 C ATOM 814 C LYS A 88 4.724 0.685 -6.921 1.00 0.22 C ATOM 815 O LYS A 88 3.758 1.452 -6.864 1.00 0.25 O ATOM 816 CB LYS A 88 5.771 0.030 -9.116 1.00 0.30 C ATOM 817 CG LYS A 88 4.583 0.321 -10.008 1.00 0.62 C ATOM 818 CD LYS A 88 4.763 -0.326 -11.370 1.00 0.71 C ATOM 819 CE LYS A 88 4.752 -1.846 -11.293 1.00 1.04 C ATOM 820 NZ LYS A 88 5.031 -2.465 -12.617 1.00 1.29 N ATOM 821 HA LYS A 88 5.823 1.977 -8.203 1.00 0.00 H ATOM 822 HB2 LYS A 88 6.679 0.149 -9.708 1.00 0.00 H ATOM 823 HB3 LYS A 88 5.695 -1.002 -8.773 1.00 0.00 H ATOM 824 HG2 LYS A 88 3.680 -0.072 -9.541 1.00 0.00 H ATOM 825 HG3 LYS A 88 4.485 1.399 -10.134 1.00 0.00 H ATOM 826 HD2 LYS A 88 3.952 -0.002 -12.022 1.00 0.00 H ATOM 827 HD3 LYS A 88 5.716 -0.003 -11.789 1.00 0.00 H ATOM 828 HE2 LYS A 88 3.772 -2.176 -10.948 1.00 0.00 H ATOM 829 HE3 LYS A 88 5.514 -2.170 -10.584 1.00 0.00 H ATOM 830 HZ1 LYS A 88 4.305 -2.165 -13.298 1.00 0.00 H ATOM 831 HZ2 LYS A 88 5.968 -2.160 -12.950 1.00 0.00 H ATOM 832 HZ3 LYS A 88 5.015 -3.501 -12.524 1.00 0.00 H ATOM 833 H LYS A 88 7.705 -0.153 -7.518 1.00 0.00 H ATOM 834 N ILE A 89 4.845 -0.386 -6.148 1.00 0.20 N ATOM 835 CA ILE A 89 3.861 -0.721 -5.131 1.00 0.20 C ATOM 836 C ILE A 89 3.782 0.371 -4.068 1.00 0.22 C ATOM 837 O ILE A 89 2.692 0.755 -3.650 1.00 0.27 O ATOM 838 CB ILE A 89 4.177 -2.080 -4.475 1.00 0.21 C ATOM 839 CG1 ILE A 89 4.023 -3.191 -5.510 1.00 0.24 C ATOM 840 CG2 ILE A 89 3.265 -2.327 -3.278 1.00 0.23 C ATOM 841 CD1 ILE A 89 4.419 -4.562 -5.005 1.00 0.26 C ATOM 842 HA ILE A 89 2.892 -0.796 -5.625 1.00 0.00 H ATOM 843 HB ILE A 89 5.205 -2.070 -4.113 1.00 0.00 H ATOM 844 HG12 ILE A 89 2.979 -3.228 -5.821 1.00 0.00 H ATOM 845 HG13 ILE A 89 4.648 -2.948 -6.369 1.00 0.00 H ATOM 846 HD11 ILE A 89 5.466 -4.547 -4.701 1.00 0.00 H ATOM 847 HD12 ILE A 89 3.795 -4.828 -4.152 1.00 0.00 H ATOM 848 HD13 ILE A 89 4.280 -5.295 -5.800 1.00 0.00 H ATOM 849 HG21 ILE A 89 3.412 -1.537 -2.541 1.00 0.00 H ATOM 850 HG22 ILE A 89 2.226 -2.328 -3.608 1.00 0.00 H ATOM 851 HG23 ILE A 89 3.507 -3.292 -2.832 1.00 0.00 H ATOM 852 H ILE A 89 5.670 -1.006 -6.273 1.00 0.00 H ATOM 853 N TRP A 90 4.941 0.877 -3.639 1.00 0.21 N ATOM 854 CA TRP A 90 4.982 1.999 -2.697 1.00 0.24 C ATOM 855 C TRP A 90 4.269 3.213 -3.295 1.00 0.25 C ATOM 856 O TRP A 90 3.522 3.910 -2.609 1.00 0.28 O ATOM 857 CB TRP A 90 6.435 2.360 -2.342 1.00 0.25 C ATOM 858 CG TRP A 90 6.568 3.584 -1.471 1.00 0.27 C ATOM 859 CD1 TRP A 90 6.554 4.890 -1.884 1.00 0.37 C ATOM 860 CD2 TRP A 90 6.747 3.621 -0.047 1.00 0.23 C ATOM 861 NE1 TRP A 90 6.699 5.729 -0.807 1.00 0.37 N ATOM 862 CE2 TRP A 90 6.818 4.978 0.330 1.00 0.28 C ATOM 863 CE3 TRP A 90 6.849 2.643 0.949 1.00 0.24 C ATOM 864 CZ2 TRP A 90 6.986 5.379 1.653 1.00 0.28 C ATOM 865 CZ3 TRP A 90 7.017 3.042 2.263 1.00 0.30 C ATOM 866 CH2 TRP A 90 7.082 4.402 2.604 1.00 0.29 C ATOM 867 HA TRP A 90 4.469 1.700 -1.783 1.00 0.00 H ATOM 868 HB2 TRP A 90 6.880 1.515 -1.816 1.00 0.00 H ATOM 869 HB3 TRP A 90 6.981 2.538 -3.269 1.00 0.00 H ATOM 870 HE1 TRP A 90 6.716 6.768 -0.849 1.00 0.00 H ATOM 871 HD1 TRP A 90 6.444 5.216 -2.918 1.00 0.00 H ATOM 872 HZ2 TRP A 90 7.039 6.434 1.921 1.00 0.00 H ATOM 873 HH2 TRP A 90 7.212 4.685 3.649 1.00 0.00 H ATOM 874 HZ3 TRP A 90 7.100 2.288 3.046 1.00 0.00 H ATOM 875 HE3 TRP A 90 6.797 1.585 0.694 1.00 0.00 H ATOM 876 H TRP A 90 5.833 0.466 -3.981 1.00 0.00 H ATOM 877 N LYS A 91 4.494 3.431 -4.589 1.00 0.30 N ATOM 878 CA LYS A 91 3.911 4.557 -5.312 1.00 0.40 C ATOM 879 C LYS A 91 2.384 4.462 -5.337 1.00 0.43 C ATOM 880 O LYS A 91 1.689 5.473 -5.465 1.00 0.52 O ATOM 881 CB LYS A 91 4.468 4.577 -6.740 1.00 0.52 C ATOM 882 CG LYS A 91 4.072 5.792 -7.560 1.00 1.03 C ATOM 883 CD LYS A 91 4.596 5.682 -8.985 1.00 1.46 C ATOM 884 CE LYS A 91 4.296 6.923 -9.812 1.00 2.23 C ATOM 885 NZ LYS A 91 2.839 7.224 -9.879 1.00 2.54 N ATOM 886 HA LYS A 91 4.176 5.483 -4.801 1.00 0.00 H ATOM 887 HB2 LYS A 91 5.556 4.547 -6.681 1.00 0.00 H ATOM 888 HB3 LYS A 91 4.109 3.687 -7.257 1.00 0.00 H ATOM 889 HG2 LYS A 91 2.985 5.867 -7.584 1.00 0.00 H ATOM 890 HG3 LYS A 91 4.487 6.687 -7.095 1.00 0.00 H ATOM 891 HD2 LYS A 91 5.676 5.537 -8.951 1.00 0.00 H ATOM 892 HD3 LYS A 91 4.130 4.821 -9.464 1.00 0.00 H ATOM 893 HE2 LYS A 91 4.668 6.767 -10.825 1.00 0.00 H ATOM 894 HE3 LYS A 91 4.809 7.774 -9.365 1.00 0.00 H ATOM 895 HZ1 LYS A 91 2.340 6.421 -10.312 1.00 0.00 H ATOM 896 HZ2 LYS A 91 2.474 7.383 -8.918 1.00 0.00 H ATOM 897 HZ3 LYS A 91 2.689 8.078 -10.453 1.00 0.00 H ATOM 898 H LYS A 91 5.110 2.772 -5.106 1.00 0.00 H ATOM 899 N LEU A 92 1.869 3.244 -5.229 1.00 0.41 N ATOM 900 CA LEU A 92 0.425 3.026 -5.173 1.00 0.51 C ATOM 901 C LEU A 92 -0.084 3.044 -3.734 1.00 0.47 C ATOM 902 O LEU A 92 -1.204 3.473 -3.467 1.00 0.59 O ATOM 903 CB LEU A 92 0.053 1.681 -5.796 1.00 0.68 C ATOM 904 CG LEU A 92 0.353 1.520 -7.283 1.00 0.71 C ATOM 905 CD1 LEU A 92 -0.172 0.179 -7.765 1.00 1.20 C ATOM 906 CD2 LEU A 92 -0.261 2.652 -8.090 1.00 1.50 C ATOM 907 HA LEU A 92 -0.039 3.838 -5.734 1.00 0.00 H ATOM 908 HB2 LEU A 92 0.599 0.904 -5.261 1.00 0.00 H ATOM 909 HB3 LEU A 92 -1.018 1.534 -5.655 1.00 0.00 H ATOM 910 HG LEU A 92 1.433 1.557 -7.427 1.00 0.00 H ATOM 911 HD21 LEU A 92 -1.342 2.652 -7.950 1.00 0.00 H ATOM 912 HD22 LEU A 92 0.151 3.603 -7.751 1.00 0.00 H ATOM 913 HD23 LEU A 92 -0.031 2.510 -9.146 1.00 0.00 H ATOM 914 HD11 LEU A 92 0.314 -0.622 -7.208 1.00 0.00 H ATOM 915 HD12 LEU A 92 -1.249 0.133 -7.605 1.00 0.00 H ATOM 916 HD13 LEU A 92 0.044 0.066 -8.828 1.00 0.00 H ATOM 917 H LEU A 92 2.508 2.425 -5.183 1.00 0.00 H ATOM 918 N ALA A 93 0.748 2.570 -2.816 1.00 0.41 N ATOM 919 CA ALA A 93 0.326 2.335 -1.439 1.00 0.46 C ATOM 920 C ALA A 93 0.119 3.625 -0.656 1.00 0.39 C ATOM 921 O ALA A 93 -0.870 3.762 0.066 1.00 0.43 O ATOM 922 CB ALA A 93 1.342 1.462 -0.722 1.00 0.53 C ATOM 923 HA ALA A 93 -0.637 1.827 -1.489 1.00 0.00 H ATOM 924 HB1 ALA A 93 1.426 0.506 -1.239 1.00 0.00 H ATOM 925 HB2 ALA A 93 2.311 1.962 -0.719 1.00 0.00 H ATOM 926 HB3 ALA A 93 1.015 1.294 0.304 1.00 0.00 H ATOM 927 H ALA A 93 1.730 2.360 -3.086 1.00 0.00 H ATOM 928 N ASP A 94 1.033 4.574 -0.797 1.00 0.31 N ATOM 929 CA ASP A 94 0.952 5.799 -0.007 1.00 0.31 C ATOM 930 C ASP A 94 0.098 6.835 -0.730 1.00 0.33 C ATOM 931 O ASP A 94 0.596 7.846 -1.222 1.00 0.47 O ATOM 932 CB ASP A 94 2.353 6.355 0.315 1.00 0.34 C ATOM 933 CG ASP A 94 2.332 7.426 1.400 1.00 0.38 C ATOM 934 OD1 ASP A 94 1.610 7.254 2.399 1.00 0.42 O ATOM 935 OD2 ASP A 94 3.018 8.469 1.242 1.00 0.50 O ATOM 936 HA ASP A 94 0.475 5.562 0.944 1.00 0.00 H ATOM 937 HB2 ASP A 94 2.985 5.533 0.650 1.00 0.00 H ATOM 938 HB3 ASP A 94 2.773 6.788 -0.593 1.00 0.00 H ATOM 939 H ASP A 94 1.812 4.445 -1.474 1.00 0.00 H ATOM 940 N VAL A 95 -1.203 6.547 -0.809 1.00 0.30 N ATOM 941 CA VAL A 95 -2.172 7.445 -1.438 1.00 0.39 C ATOM 942 C VAL A 95 -2.287 8.728 -0.624 1.00 0.48 C ATOM 943 O VAL A 95 -2.728 9.770 -1.115 1.00 0.64 O ATOM 944 CB VAL A 95 -3.579 6.802 -1.516 1.00 0.44 C ATOM 945 CG1 VAL A 95 -4.438 7.497 -2.560 1.00 0.53 C ATOM 946 CG2 VAL A 95 -3.504 5.306 -1.787 1.00 0.45 C ATOM 947 HA VAL A 95 -1.817 7.651 -2.448 1.00 0.00 H ATOM 948 HB VAL A 95 -4.049 6.934 -0.541 1.00 0.00 H ATOM 949 HG11 VAL A 95 -4.548 8.549 -2.297 1.00 0.00 H ATOM 950 HG12 VAL A 95 -3.960 7.413 -3.536 1.00 0.00 H ATOM 951 HG13 VAL A 95 -5.420 7.025 -2.593 1.00 0.00 H ATOM 952 HG21 VAL A 95 -2.996 5.135 -2.736 1.00 0.00 H ATOM 953 HG22 VAL A 95 -2.949 4.820 -0.984 1.00 0.00 H ATOM 954 HG23 VAL A 95 -4.513 4.896 -1.834 1.00 0.00 H ATOM 955 H VAL A 95 -1.541 5.649 -0.408 1.00 0.00 H ATOM 956 N ASP A 96 -1.900 8.624 0.636 1.00 0.45 N ATOM 957 CA ASP A 96 -1.983 9.724 1.584 1.00 0.58 C ATOM 958 C ASP A 96 -0.817 10.695 1.391 1.00 0.58 C ATOM 959 O ASP A 96 -0.916 11.879 1.722 1.00 0.73 O ATOM 960 CB ASP A 96 -2.008 9.132 2.995 1.00 0.65 C ATOM 961 CG ASP A 96 -1.926 10.161 4.090 1.00 0.79 C ATOM 962 OD1 ASP A 96 -2.859 10.980 4.208 1.00 1.46 O ATOM 963 OD2 ASP A 96 -0.939 10.123 4.850 1.00 0.96 O ATOM 964 HA ASP A 96 -2.894 10.300 1.421 1.00 0.00 H ATOM 965 HB2 ASP A 96 -2.936 8.574 3.117 1.00 0.00 H ATOM 966 HB3 ASP A 96 -1.161 8.453 3.098 1.00 0.00 H ATOM 967 H ASP A 96 -1.519 7.714 0.964 1.00 0.00 H ATOM 968 N LYS A 97 0.266 10.175 0.807 1.00 0.48 N ATOM 969 CA LYS A 97 1.445 10.968 0.463 1.00 0.58 C ATOM 970 C LYS A 97 2.070 11.620 1.691 1.00 0.55 C ATOM 971 O LYS A 97 2.334 12.824 1.702 1.00 0.65 O ATOM 972 CB LYS A 97 1.090 12.037 -0.575 1.00 0.80 C ATOM 973 CG LYS A 97 0.508 11.472 -1.860 1.00 0.96 C ATOM 974 CD LYS A 97 0.125 12.577 -2.829 1.00 1.20 C ATOM 975 CE LYS A 97 -0.522 12.017 -4.081 1.00 1.78 C ATOM 976 NZ LYS A 97 -0.955 13.091 -5.012 1.00 2.74 N ATOM 977 HA LYS A 97 2.181 10.285 0.038 1.00 0.00 H ATOM 978 HB2 LYS A 97 0.359 12.715 -0.135 1.00 0.00 H ATOM 979 HB3 LYS A 97 1.995 12.591 -0.822 1.00 0.00 H ATOM 980 HG2 LYS A 97 1.250 10.828 -2.332 1.00 0.00 H ATOM 981 HG3 LYS A 97 -0.380 10.887 -1.620 1.00 0.00 H ATOM 982 HD2 LYS A 97 -0.577 13.252 -2.338 1.00 0.00 H ATOM 983 HD3 LYS A 97 1.022 13.129 -3.110 1.00 0.00 H ATOM 984 HE2 LYS A 97 -1.393 11.428 -3.794 1.00 0.00 H ATOM 985 HE3 LYS A 97 0.196 11.376 -4.592 1.00 0.00 H ATOM 986 HZ1 LYS A 97 -1.647 13.704 -4.535 1.00 0.00 H ATOM 987 HZ2 LYS A 97 -0.129 13.655 -5.297 1.00 0.00 H ATOM 988 HZ3 LYS A 97 -1.392 12.663 -5.854 1.00 0.00 H ATOM 989 H LYS A 97 0.271 9.159 0.587 1.00 0.00 H ATOM 990 N ASP A 98 2.336 10.822 2.711 1.00 0.48 N ATOM 991 CA ASP A 98 2.959 11.333 3.927 1.00 0.46 C ATOM 992 C ASP A 98 4.297 10.651 4.151 1.00 0.43 C ATOM 993 O ASP A 98 4.946 10.851 5.178 1.00 0.41 O ATOM 994 CB ASP A 98 2.054 11.088 5.142 1.00 0.44 C ATOM 995 CG ASP A 98 1.933 9.613 5.487 1.00 0.42 C ATOM 996 OD1 ASP A 98 1.593 8.818 4.590 1.00 0.44 O ATOM 997 OD2 ASP A 98 2.199 9.228 6.636 1.00 0.56 O ATOM 998 HA ASP A 98 3.111 12.406 3.809 1.00 0.00 H ATOM 999 HB2 ASP A 98 2.470 11.616 6.000 1.00 0.00 H ATOM 1000 HB3 ASP A 98 1.060 11.479 4.923 1.00 0.00 H ATOM 1001 H ASP A 98 2.097 9.812 2.645 1.00 0.00 H ATOM 1002 N GLY A 99 4.724 9.866 3.167 1.00 0.46 N ATOM 1003 CA GLY A 99 6.010 9.197 3.249 1.00 0.49 C ATOM 1004 C GLY A 99 6.019 8.060 4.258 1.00 0.43 C ATOM 1005 O GLY A 99 7.035 7.390 4.443 1.00 0.46 O ATOM 1006 HA3 GLY A 99 6.765 9.927 3.540 1.00 0.00 H ATOM 1007 HA2 GLY A 99 6.256 8.793 2.267 1.00 0.00 H ATOM 1008 H GLY A 99 4.128 9.729 2.326 1.00 0.00 H ATOM 1009 N LEU A 100 4.893 7.862 4.928 1.00 0.41 N ATOM 1010 CA LEU A 100 4.750 6.791 5.896 1.00 0.38 C ATOM 1011 C LEU A 100 3.571 5.916 5.523 1.00 0.34 C ATOM 1012 O LEU A 100 2.633 6.365 4.847 1.00 0.40 O ATOM 1013 CB LEU A 100 4.546 7.354 7.303 1.00 0.39 C ATOM 1014 CG LEU A 100 5.690 8.208 7.844 1.00 0.43 C ATOM 1015 CD1 LEU A 100 5.243 8.940 9.093 1.00 0.47 C ATOM 1016 CD2 LEU A 100 6.905 7.347 8.138 1.00 0.53 C ATOM 1017 HA LEU A 100 5.664 6.197 5.889 1.00 0.00 H ATOM 1018 HB2 LEU A 100 3.645 7.968 7.292 1.00 0.00 H ATOM 1019 HB3 LEU A 100 4.403 6.514 7.983 1.00 0.00 H ATOM 1020 HG LEU A 100 5.968 8.942 7.087 1.00 0.00 H ATOM 1021 HD21 LEU A 100 6.644 6.593 8.881 1.00 0.00 H ATOM 1022 HD22 LEU A 100 7.232 6.857 7.221 1.00 0.00 H ATOM 1023 HD23 LEU A 100 7.709 7.975 8.523 1.00 0.00 H ATOM 1024 HD11 LEU A 100 4.397 9.583 8.852 1.00 0.00 H ATOM 1025 HD12 LEU A 100 4.946 8.215 9.851 1.00 0.00 H ATOM 1026 HD13 LEU A 100 6.066 9.546 9.471 1.00 0.00 H ATOM 1027 H LEU A 100 4.086 8.495 4.754 1.00 0.00 H ATOM 1028 N LEU A 101 3.601 4.676 5.972 1.00 0.31 N ATOM 1029 CA LEU A 101 2.543 3.748 5.637 1.00 0.29 C ATOM 1030 C LEU A 101 1.706 3.436 6.856 1.00 0.27 C ATOM 1031 O LEU A 101 2.181 2.803 7.800 1.00 0.28 O ATOM 1032 CB LEU A 101 3.107 2.445 5.061 1.00 0.29 C ATOM 1033 CG LEU A 101 3.807 2.562 3.706 1.00 0.31 C ATOM 1034 CD1 LEU A 101 4.246 1.189 3.223 1.00 0.33 C ATOM 1035 CD2 LEU A 101 2.894 3.217 2.679 1.00 0.29 C ATOM 1036 HA LEU A 101 1.919 4.223 4.880 1.00 0.00 H ATOM 1037 HB2 LEU A 101 3.827 2.047 5.776 1.00 0.00 H ATOM 1038 HB3 LEU A 101 2.281 1.743 4.951 1.00 0.00 H ATOM 1039 HG LEU A 101 4.688 3.192 3.828 1.00 0.00 H ATOM 1040 HD21 LEU A 101 1.994 2.615 2.559 1.00 0.00 H ATOM 1041 HD22 LEU A 101 2.622 4.215 3.021 1.00 0.00 H ATOM 1042 HD23 LEU A 101 3.415 3.288 1.724 1.00 0.00 H ATOM 1043 HD11 LEU A 101 4.936 0.754 3.946 1.00 0.00 H ATOM 1044 HD12 LEU A 101 3.373 0.545 3.120 1.00 0.00 H ATOM 1045 HD13 LEU A 101 4.743 1.287 2.258 1.00 0.00 H ATOM 1046 H LEU A 101 4.391 4.363 6.571 1.00 0.00 H ATOM 1047 N ASP A 102 0.473 3.915 6.844 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.520 3.494 7.823 1.00 0.39 C ATOM 1049 C ASP A 102 -0.927 2.059 7.533 1.00 0.32 C ATOM 1050 O ASP A 102 -0.590 1.515 6.479 1.00 0.27 O ATOM 1051 CB ASP A 102 -1.758 4.406 7.789 1.00 0.57 C ATOM 1052 CG ASP A 102 -1.518 5.750 8.446 1.00 0.98 C ATOM 1053 OD1 ASP A 102 -0.892 6.627 7.808 1.00 1.35 O ATOM 1054 OD2 ASP A 102 -1.957 5.942 9.597 1.00 1.85 O ATOM 1055 HA ASP A 102 -0.080 3.564 8.818 1.00 0.00 H ATOM 1056 HB2 ASP A 102 -2.040 4.572 6.749 1.00 0.00 H ATOM 1057 HB3 ASP A 102 -2.574 3.905 8.310 1.00 0.00 H ATOM 1058 H ASP A 102 0.206 4.610 6.117 1.00 0.00 H ATOM 1059 N ASP A 103 -1.652 1.451 8.457 1.00 0.36 N ATOM 1060 CA ASP A 103 -2.118 0.076 8.280 1.00 0.34 C ATOM 1061 C ASP A 103 -2.963 -0.061 7.010 1.00 0.31 C ATOM 1062 O ASP A 103 -2.979 -1.121 6.384 1.00 0.32 O ATOM 1063 CB ASP A 103 -2.924 -0.392 9.497 1.00 0.45 C ATOM 1064 CG ASP A 103 -4.237 0.345 9.657 1.00 0.46 C ATOM 1065 OD1 ASP A 103 -4.236 1.435 10.265 1.00 0.85 O ATOM 1066 OD2 ASP A 103 -5.270 -0.158 9.170 1.00 0.85 O ATOM 1067 HA ASP A 103 -1.237 -0.557 8.180 1.00 0.00 H ATOM 1068 HB2 ASP A 103 -3.134 -1.456 9.387 1.00 0.00 H ATOM 1069 HB3 ASP A 103 -2.324 -0.232 10.393 1.00 0.00 H ATOM 1070 H ASP A 103 -1.896 1.962 9.329 1.00 0.00 H ATOM 1071 N GLU A 104 -3.649 1.013 6.628 1.00 0.32 N ATOM 1072 CA GLU A 104 -4.439 1.024 5.398 1.00 0.34 C ATOM 1073 C GLU A 104 -3.517 0.858 4.198 1.00 0.24 C ATOM 1074 O GLU A 104 -3.703 -0.020 3.350 1.00 0.22 O ATOM 1075 CB GLU A 104 -5.191 2.352 5.229 1.00 0.50 C ATOM 1076 CG GLU A 104 -5.936 2.850 6.461 1.00 0.73 C ATOM 1077 CD GLU A 104 -6.502 4.246 6.250 1.00 1.50 C ATOM 1078 OE1 GLU A 104 -5.877 5.043 5.512 1.00 1.94 O ATOM 1079 OE2 GLU A 104 -7.574 4.556 6.810 1.00 2.08 O ATOM 1080 HA GLU A 104 -5.157 0.206 5.460 1.00 0.00 H ATOM 1081 HB2 GLU A 104 -4.466 3.114 4.945 1.00 0.00 H ATOM 1082 HB3 GLU A 104 -5.917 2.226 4.426 1.00 0.00 H ATOM 1083 HG2 GLU A 104 -6.756 2.165 6.679 1.00 0.00 H ATOM 1084 HG3 GLU A 104 -5.248 2.872 7.306 1.00 0.00 H ATOM 1085 H GLU A 104 -3.623 1.868 7.220 1.00 0.00 H ATOM 1086 N GLU A 105 -2.498 1.706 4.165 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.605 1.813 3.023 1.00 0.20 C ATOM 1088 C GLU A 105 -0.706 0.587 2.917 1.00 0.18 C ATOM 1089 O GLU A 105 -0.402 0.118 1.818 1.00 0.23 O ATOM 1090 CB GLU A 105 -0.773 3.092 3.142 1.00 0.22 C ATOM 1091 CG GLU A 105 -1.622 4.325 3.422 1.00 0.26 C ATOM 1092 CD GLU A 105 -0.860 5.631 3.327 1.00 0.34 C ATOM 1093 OE1 GLU A 105 -0.029 5.897 4.210 1.00 0.36 O ATOM 1094 OE2 GLU A 105 -1.060 6.391 2.349 1.00 0.48 O ATOM 1095 HA GLU A 105 -2.201 1.862 2.112 1.00 0.00 H ATOM 1096 HB2 GLU A 105 -0.059 2.969 3.956 1.00 0.00 H ATOM 1097 HB3 GLU A 105 -0.234 3.245 2.207 1.00 0.00 H ATOM 1098 HG2 GLU A 105 -2.438 4.351 2.700 1.00 0.00 H ATOM 1099 HG3 GLU A 105 -2.031 4.239 4.429 1.00 0.00 H ATOM 1100 H GLU A 105 -2.331 2.319 4.989 1.00 0.00 H ATOM 1101 N PHE A 106 -0.300 0.059 4.062 1.00 0.16 N ATOM 1102 CA PHE A 106 0.537 -1.126 4.089 1.00 0.16 C ATOM 1103 C PHE A 106 -0.262 -2.346 3.655 1.00 0.18 C ATOM 1104 O PHE A 106 0.262 -3.232 2.977 1.00 0.21 O ATOM 1105 CB PHE A 106 1.117 -1.351 5.483 1.00 0.16 C ATOM 1106 CG PHE A 106 2.098 -2.486 5.536 1.00 0.22 C ATOM 1107 CD1 PHE A 106 3.304 -2.411 4.863 1.00 0.30 C ATOM 1108 CD2 PHE A 106 1.807 -3.633 6.254 1.00 0.31 C ATOM 1109 CE1 PHE A 106 4.202 -3.459 4.904 1.00 0.38 C ATOM 1110 CE2 PHE A 106 2.700 -4.686 6.299 1.00 0.40 C ATOM 1111 CZ PHE A 106 3.926 -4.574 5.649 1.00 0.41 C ATOM 1112 HA PHE A 106 1.362 -0.975 3.393 1.00 0.00 H ATOM 1113 HB2 PHE A 106 1.623 -0.439 5.800 1.00 0.00 H ATOM 1114 HB3 PHE A 106 0.298 -1.567 6.169 1.00 0.00 H ATOM 1115 HD2 PHE A 106 0.861 -3.706 6.791 1.00 0.00 H ATOM 1116 HE2 PHE A 106 2.447 -5.598 6.840 1.00 0.00 H ATOM 1117 HZ PHE A 106 4.664 -5.372 5.733 1.00 0.00 H ATOM 1118 HE1 PHE A 106 5.134 -3.398 4.341 1.00 0.00 H ATOM 1119 HD1 PHE A 106 3.548 -1.514 4.294 1.00 0.00 H ATOM 1120 H PHE A 106 -0.586 0.502 4.958 1.00 0.00 H ATOM 1121 N ALA A 107 -1.535 -2.383 4.039 1.00 0.19 N ATOM 1122 CA ALA A 107 -2.425 -3.459 3.622 1.00 0.21 C ATOM 1123 C ALA A 107 -2.602 -3.438 2.111 1.00 0.21 C ATOM 1124 O ALA A 107 -2.680 -4.486 1.469 1.00 0.22 O ATOM 1125 CB ALA A 107 -3.776 -3.347 4.313 1.00 0.23 C ATOM 1126 HA ALA A 107 -1.973 -4.407 3.912 1.00 0.00 H ATOM 1127 HB1 ALA A 107 -3.637 -3.406 5.392 1.00 0.00 H ATOM 1128 HB2 ALA A 107 -4.236 -2.393 4.056 1.00 0.00 H ATOM 1129 HB3 ALA A 107 -4.420 -4.162 3.983 1.00 0.00 H ATOM 1130 H ALA A 107 -1.904 -1.627 4.651 1.00 0.00 H ATOM 1131 N LEU A 108 -2.649 -2.236 1.547 1.00 0.22 N ATOM 1132 CA LEU A 108 -2.759 -2.072 0.105 1.00 0.24 C ATOM 1133 C LEU A 108 -1.512 -2.630 -0.568 1.00 0.21 C ATOM 1134 O LEU A 108 -1.594 -3.398 -1.532 1.00 0.21 O ATOM 1135 CB LEU A 108 -2.935 -0.585 -0.233 1.00 0.28 C ATOM 1136 CG LEU A 108 -3.678 -0.276 -1.537 1.00 0.38 C ATOM 1137 CD1 LEU A 108 -2.777 -0.442 -2.750 1.00 0.99 C ATOM 1138 CD2 LEU A 108 -4.898 -1.168 -1.666 1.00 1.29 C ATOM 1139 HA LEU A 108 -3.628 -2.618 -0.261 1.00 0.00 H ATOM 1140 HB2 LEU A 108 -3.487 -0.120 0.584 1.00 0.00 H ATOM 1141 HB3 LEU A 108 -1.943 -0.138 -0.300 1.00 0.00 H ATOM 1142 HG LEU A 108 -3.995 0.766 -1.500 1.00 0.00 H ATOM 1143 HD21 LEU A 108 -4.584 -2.212 -1.671 1.00 0.00 H ATOM 1144 HD22 LEU A 108 -5.566 -0.992 -0.823 1.00 0.00 H ATOM 1145 HD23 LEU A 108 -5.417 -0.939 -2.597 1.00 0.00 H ATOM 1146 HD11 LEU A 108 -1.930 0.239 -2.667 1.00 0.00 H ATOM 1147 HD12 LEU A 108 -2.416 -1.470 -2.795 1.00 0.00 H ATOM 1148 HD13 LEU A 108 -3.341 -0.214 -3.654 1.00 0.00 H ATOM 1149 H LEU A 108 -2.606 -1.391 2.151 1.00 0.00 H ATOM 1150 N ALA A 109 -0.361 -2.264 -0.021 1.00 0.21 N ATOM 1151 CA ALA A 109 0.920 -2.717 -0.537 1.00 0.20 C ATOM 1152 C ALA A 109 1.039 -4.234 -0.468 1.00 0.17 C ATOM 1153 O ALA A 109 1.447 -4.878 -1.432 1.00 0.15 O ATOM 1154 CB ALA A 109 2.055 -2.061 0.236 1.00 0.23 C ATOM 1155 HA ALA A 109 0.986 -2.425 -1.585 1.00 0.00 H ATOM 1156 HB1 ALA A 109 1.988 -0.978 0.129 1.00 0.00 H ATOM 1157 HB2 ALA A 109 1.978 -2.329 1.290 1.00 0.00 H ATOM 1158 HB3 ALA A 109 3.010 -2.408 -0.159 1.00 0.00 H ATOM 1159 H ALA A 109 -0.375 -1.632 0.805 1.00 0.00 H ATOM 1160 N ASN A 110 0.655 -4.800 0.669 1.00 0.19 N ATOM 1161 CA ASN A 110 0.747 -6.243 0.878 1.00 0.21 C ATOM 1162 C ASN A 110 -0.214 -6.990 -0.032 1.00 0.19 C ATOM 1163 O ASN A 110 0.062 -8.110 -0.452 1.00 0.20 O ATOM 1164 CB ASN A 110 0.468 -6.603 2.338 1.00 0.29 C ATOM 1165 CG ASN A 110 1.677 -6.419 3.237 1.00 0.40 C ATOM 1166 OD1 ASN A 110 1.819 -7.107 4.244 1.00 0.77 O ATOM 1167 ND2 ASN A 110 2.552 -5.491 2.884 1.00 0.66 N ATOM 1168 HA ASN A 110 1.765 -6.545 0.631 1.00 0.00 H ATOM 1169 HB2 ASN A 110 -0.338 -5.967 2.705 1.00 0.00 H ATOM 1170 HB3 ASN A 110 0.156 -7.646 2.385 1.00 0.00 H ATOM 1171 HD22 ASN A 110 2.395 -4.929 2.023 1.00 0.00 H ATOM 1172 HD21 ASN A 110 3.396 -5.324 3.468 1.00 0.00 H ATOM 1173 H ASN A 110 0.279 -4.201 1.431 1.00 0.00 H ATOM 1174 N HIS A 111 -1.342 -6.367 -0.338 1.00 0.22 N ATOM 1175 CA HIS A 111 -2.306 -6.950 -1.255 1.00 0.24 C ATOM 1176 C HIS A 111 -1.707 -7.028 -2.662 1.00 0.21 C ATOM 1177 O HIS A 111 -1.879 -8.028 -3.362 1.00 0.25 O ATOM 1178 CB HIS A 111 -3.600 -6.136 -1.262 1.00 0.28 C ATOM 1179 CG HIS A 111 -4.695 -6.781 -2.052 1.00 0.28 C ATOM 1180 ND1 HIS A 111 -5.381 -7.894 -1.616 1.00 0.29 N ATOM 1181 CD2 HIS A 111 -5.205 -6.475 -3.264 1.00 0.32 C ATOM 1182 CE1 HIS A 111 -6.266 -8.245 -2.529 1.00 0.31 C ATOM 1183 NE2 HIS A 111 -6.179 -7.401 -3.544 1.00 0.33 N ATOM 1184 HA HIS A 111 -2.544 -7.960 -0.921 1.00 0.00 H ATOM 1185 HB2 HIS A 111 -3.939 -6.014 -0.233 1.00 0.00 H ATOM 1186 HB3 HIS A 111 -3.392 -5.157 -1.693 1.00 0.00 H ATOM 1187 HD2 HIS A 111 -4.900 -5.646 -3.902 1.00 0.00 H ATOM 1188 HE1 HIS A 111 -6.953 -9.088 -2.459 1.00 0.00 H ATOM 1189 H HIS A 111 -1.542 -5.440 0.088 1.00 0.00 H ATOM 1190 N LEU A 112 -0.988 -5.973 -3.048 1.00 0.20 N ATOM 1191 CA LEU A 112 -0.307 -5.927 -4.343 1.00 0.20 C ATOM 1192 C LEU A 112 0.802 -6.979 -4.401 1.00 0.21 C ATOM 1193 O LEU A 112 1.007 -7.638 -5.423 1.00 0.24 O ATOM 1194 CB LEU A 112 0.275 -4.529 -4.575 1.00 0.21 C ATOM 1195 CG LEU A 112 -0.756 -3.400 -4.601 1.00 0.24 C ATOM 1196 CD1 LEU A 112 -0.063 -2.056 -4.708 1.00 0.28 C ATOM 1197 CD2 LEU A 112 -1.730 -3.585 -5.755 1.00 0.26 C ATOM 1198 HA LEU A 112 -1.030 -6.146 -5.129 1.00 0.00 H ATOM 1199 HB2 LEU A 112 0.986 -4.321 -3.775 1.00 0.00 H ATOM 1200 HB3 LEU A 112 0.797 -4.534 -5.532 1.00 0.00 H ATOM 1201 HG LEU A 112 -1.320 -3.431 -3.669 1.00 0.00 H ATOM 1202 HD21 LEU A 112 -1.181 -3.582 -6.696 1.00 0.00 H ATOM 1203 HD22 LEU A 112 -2.251 -4.535 -5.640 1.00 0.00 H ATOM 1204 HD23 LEU A 112 -2.453 -2.770 -5.752 1.00 0.00 H ATOM 1205 HD11 LEU A 112 0.594 -1.918 -3.850 1.00 0.00 H ATOM 1206 HD12 LEU A 112 0.524 -2.023 -5.626 1.00 0.00 H ATOM 1207 HD13 LEU A 112 -0.811 -1.263 -4.725 1.00 0.00 H ATOM 1208 H LEU A 112 -0.909 -5.157 -2.408 1.00 0.00 H ATOM 1209 N ILE A 113 1.507 -7.141 -3.292 1.00 0.22 N ATOM 1210 CA ILE A 113 2.571 -8.132 -3.204 1.00 0.27 C ATOM 1211 C ILE A 113 1.999 -9.545 -3.187 1.00 0.28 C ATOM 1212 O ILE A 113 2.566 -10.457 -3.789 1.00 0.33 O ATOM 1213 CB ILE A 113 3.457 -7.916 -1.960 1.00 0.39 C ATOM 1214 CG1 ILE A 113 4.098 -6.531 -2.026 1.00 0.51 C ATOM 1215 CG2 ILE A 113 4.526 -9.006 -1.861 1.00 0.43 C ATOM 1216 CD1 ILE A 113 4.987 -6.219 -0.850 1.00 0.70 C ATOM 1217 HA ILE A 113 3.193 -8.007 -4.090 1.00 0.00 H ATOM 1218 HB ILE A 113 2.837 -7.978 -1.066 1.00 0.00 H ATOM 1219 HG12 ILE A 113 4.696 -6.471 -2.935 1.00 0.00 H ATOM 1220 HG13 ILE A 113 3.304 -5.785 -2.065 1.00 0.00 H ATOM 1221 HD11 ILE A 113 4.401 -6.263 0.068 1.00 0.00 H ATOM 1222 HD12 ILE A 113 5.795 -6.949 -0.803 1.00 0.00 H ATOM 1223 HD13 ILE A 113 5.406 -5.220 -0.968 1.00 0.00 H ATOM 1224 HG21 ILE A 113 4.044 -9.980 -1.786 1.00 0.00 H ATOM 1225 HG22 ILE A 113 5.155 -8.978 -2.751 1.00 0.00 H ATOM 1226 HG23 ILE A 113 5.139 -8.833 -0.976 1.00 0.00 H ATOM 1227 H ILE A 113 1.296 -6.547 -2.465 1.00 0.00 H ATOM 1228 N LYS A 114 0.869 -9.726 -2.512 1.00 0.31 N ATOM 1229 CA LYS A 114 0.243 -11.038 -2.440 1.00 0.40 C ATOM 1230 C LYS A 114 -0.183 -11.501 -3.821 1.00 0.40 C ATOM 1231 O LYS A 114 0.075 -12.640 -4.198 1.00 0.47 O ATOM 1232 CB LYS A 114 -0.964 -11.057 -1.501 1.00 0.47 C ATOM 1233 CG LYS A 114 -1.497 -12.464 -1.267 1.00 0.79 C ATOM 1234 CD LYS A 114 -2.701 -12.484 -0.338 1.00 0.99 C ATOM 1235 CE LYS A 114 -3.959 -11.960 -1.012 1.00 1.36 C ATOM 1236 NZ LYS A 114 -4.508 -12.942 -1.983 1.00 1.77 N ATOM 1237 HA LYS A 114 0.991 -11.720 -2.036 1.00 0.00 H ATOM 1238 HB2 LYS A 114 -0.669 -10.631 -0.542 1.00 0.00 H ATOM 1239 HB3 LYS A 114 -1.757 -10.450 -1.938 1.00 0.00 H ATOM 1240 HG2 LYS A 114 -1.788 -12.892 -2.226 1.00 0.00 H ATOM 1241 HG3 LYS A 114 -0.705 -13.069 -0.826 1.00 0.00 H ATOM 1242 HD2 LYS A 114 -2.878 -13.510 -0.015 1.00 0.00 H ATOM 1243 HD3 LYS A 114 -2.484 -11.863 0.531 1.00 0.00 H ATOM 1244 HE2 LYS A 114 -3.720 -11.036 -1.539 1.00 0.00 H ATOM 1245 HE3 LYS A 114 -4.711 -11.757 -0.250 1.00 0.00 H ATOM 1246 HZ1 LYS A 114 -3.798 -13.136 -2.717 1.00 0.00 H ATOM 1247 HZ2 LYS A 114 -4.744 -13.824 -1.486 1.00 0.00 H ATOM 1248 HZ3 LYS A 114 -5.365 -12.551 -2.423 1.00 0.00 H ATOM 1249 H LYS A 114 0.426 -8.919 -2.028 1.00 0.00 H ATOM 1250 N VAL A 115 -0.818 -10.616 -4.586 1.00 0.36 N ATOM 1251 CA VAL A 115 -1.245 -10.984 -5.924 1.00 0.42 C ATOM 1252 C VAL A 115 -0.038 -11.276 -6.807 1.00 0.43 C ATOM 1253 O VAL A 115 -0.090 -12.156 -7.667 1.00 0.53 O ATOM 1254 CB VAL A 115 -2.148 -9.920 -6.594 1.00 0.43 C ATOM 1255 CG1 VAL A 115 -3.471 -9.804 -5.856 1.00 0.50 C ATOM 1256 CG2 VAL A 115 -1.468 -8.559 -6.686 1.00 0.35 C ATOM 1257 HA VAL A 115 -1.849 -11.884 -5.815 1.00 0.00 H ATOM 1258 HB VAL A 115 -2.337 -10.255 -7.614 1.00 0.00 H ATOM 1259 HG11 VAL A 115 -3.982 -10.766 -5.876 1.00 0.00 H ATOM 1260 HG12 VAL A 115 -3.285 -9.511 -4.823 1.00 0.00 H ATOM 1261 HG13 VAL A 115 -4.092 -9.051 -6.342 1.00 0.00 H ATOM 1262 HG21 VAL A 115 -1.220 -8.210 -5.684 1.00 0.00 H ATOM 1263 HG22 VAL A 115 -0.556 -8.649 -7.276 1.00 0.00 H ATOM 1264 HG23 VAL A 115 -2.143 -7.849 -7.163 1.00 0.00 H ATOM 1265 H VAL A 115 -1.009 -9.660 -4.225 1.00 0.00 H ATOM 1266 N LYS A 116 1.048 -10.533 -6.591 1.00 0.37 N ATOM 1267 CA LYS A 116 2.325 -10.847 -7.238 1.00 0.42 C ATOM 1268 C LYS A 116 2.762 -12.277 -6.930 1.00 0.50 C ATOM 1269 O LYS A 116 3.164 -13.016 -7.826 1.00 0.59 O ATOM 1270 CB LYS A 116 3.439 -9.876 -6.820 1.00 0.40 C ATOM 1271 CG LYS A 116 3.326 -8.502 -7.454 1.00 0.50 C ATOM 1272 CD LYS A 116 3.215 -8.609 -8.968 1.00 0.77 C ATOM 1273 CE LYS A 116 4.432 -9.298 -9.561 1.00 1.19 C ATOM 1274 NZ LYS A 116 4.210 -9.704 -10.971 1.00 1.89 N ATOM 1275 HA LYS A 116 2.161 -10.741 -8.310 1.00 0.00 H ATOM 1276 HB2 LYS A 116 3.404 -9.759 -5.737 1.00 0.00 H ATOM 1277 HB3 LYS A 116 4.397 -10.309 -7.106 1.00 0.00 H ATOM 1278 HG2 LYS A 116 2.439 -8.001 -7.065 1.00 0.00 H ATOM 1279 HG3 LYS A 116 4.211 -7.918 -7.201 1.00 0.00 H ATOM 1280 HD2 LYS A 116 2.323 -9.183 -9.220 1.00 0.00 H ATOM 1281 HD3 LYS A 116 3.132 -7.608 -9.390 1.00 0.00 H ATOM 1282 HE2 LYS A 116 4.657 -10.186 -8.970 1.00 0.00 H ATOM 1283 HE3 LYS A 116 5.279 -8.613 -9.521 1.00 0.00 H ATOM 1284 HZ1 LYS A 116 3.408 -10.364 -11.018 1.00 0.00 H ATOM 1285 HZ2 LYS A 116 4.002 -8.862 -11.544 1.00 0.00 H ATOM 1286 HZ3 LYS A 116 5.066 -10.170 -11.335 1.00 0.00 H ATOM 1287 H LYS A 116 0.988 -9.715 -5.951 1.00 0.00 H ATOM 1288 N LEU A 117 2.662 -12.666 -5.663 1.00 0.48 N ATOM 1289 CA LEU A 117 3.078 -13.995 -5.228 1.00 0.58 C ATOM 1290 C LEU A 117 2.169 -15.063 -5.821 1.00 0.63 C ATOM 1291 O LEU A 117 2.605 -16.168 -6.138 1.00 0.74 O ATOM 1292 CB LEU A 117 3.049 -14.093 -3.700 1.00 0.59 C ATOM 1293 CG LEU A 117 3.955 -13.105 -2.956 1.00 0.60 C ATOM 1294 CD1 LEU A 117 3.730 -13.199 -1.455 1.00 0.65 C ATOM 1295 CD2 LEU A 117 5.418 -13.364 -3.280 1.00 0.68 C ATOM 1296 HA LEU A 117 4.097 -14.160 -5.579 1.00 0.00 H ATOM 1297 HB2 LEU A 117 2.024 -13.921 -3.372 1.00 0.00 H ATOM 1298 HB3 LEU A 117 3.353 -15.102 -3.422 1.00 0.00 H ATOM 1299 HG LEU A 117 3.699 -12.099 -3.287 1.00 0.00 H ATOM 1300 HD21 LEU A 117 5.681 -14.378 -2.979 1.00 0.00 H ATOM 1301 HD22 LEU A 117 5.577 -13.249 -4.352 1.00 0.00 H ATOM 1302 HD23 LEU A 117 6.040 -12.650 -2.740 1.00 0.00 H ATOM 1303 HD11 LEU A 117 2.690 -12.964 -1.229 1.00 0.00 H ATOM 1304 HD12 LEU A 117 3.957 -14.210 -1.118 1.00 0.00 H ATOM 1305 HD13 LEU A 117 4.383 -12.490 -0.946 1.00 0.00 H ATOM 1306 H LEU A 117 2.276 -12.003 -4.961 1.00 0.00 H ATOM 1307 N GLU A 118 0.902 -14.715 -5.977 1.00 0.59 N ATOM 1308 CA GLU A 118 -0.093 -15.630 -6.514 1.00 0.69 C ATOM 1309 C GLU A 118 0.015 -15.741 -8.036 1.00 0.73 C ATOM 1310 O GLU A 118 -0.808 -16.393 -8.678 1.00 0.80 O ATOM 1311 CB GLU A 118 -1.491 -15.164 -6.119 1.00 0.74 C ATOM 1312 CG GLU A 118 -1.714 -15.133 -4.619 1.00 0.79 C ATOM 1313 CD GLU A 118 -3.079 -14.600 -4.240 1.00 1.22 C ATOM 1314 OE1 GLU A 118 -3.286 -13.368 -4.298 1.00 1.98 O ATOM 1315 OE2 GLU A 118 -3.953 -15.406 -3.865 1.00 1.54 O ATOM 1316 HA GLU A 118 0.092 -16.618 -6.093 1.00 0.00 H ATOM 1317 HB2 GLU A 118 -1.645 -14.159 -6.512 1.00 0.00 H ATOM 1318 HB3 GLU A 118 -2.220 -15.842 -6.563 1.00 0.00 H ATOM 1319 HG2 GLU A 118 -1.616 -16.147 -4.231 1.00 0.00 H ATOM 1320 HG3 GLU A 118 -0.953 -14.497 -4.167 1.00 0.00 H ATOM 1321 H GLU A 118 0.608 -13.755 -5.707 1.00 0.00 H ATOM 1322 N GLY A 119 1.020 -15.085 -8.606 1.00 0.74 N ATOM 1323 CA GLY A 119 1.268 -15.191 -10.029 1.00 0.81 C ATOM 1324 C GLY A 119 0.428 -14.228 -10.837 1.00 0.80 C ATOM 1325 O GLY A 119 -0.002 -14.546 -11.942 1.00 0.87 O ATOM 1326 HA3 GLY A 119 1.040 -16.208 -10.349 1.00 0.00 H ATOM 1327 HA2 GLY A 119 2.321 -14.980 -10.217 1.00 0.00 H ATOM 1328 H GLY A 119 1.638 -14.486 -8.022 1.00 0.00 H ATOM 1329 N HIS A 120 0.186 -13.052 -10.282 1.00 0.77 N ATOM 1330 CA HIS A 120 -0.556 -12.020 -10.985 1.00 0.80 C ATOM 1331 C HIS A 120 0.274 -10.750 -11.084 1.00 0.77 C ATOM 1332 O HIS A 120 1.349 -10.650 -10.488 1.00 0.85 O ATOM 1333 CB HIS A 120 -1.880 -11.717 -10.274 1.00 0.82 C ATOM 1334 CG HIS A 120 -2.816 -12.880 -10.206 1.00 0.86 C ATOM 1335 ND1 HIS A 120 -3.728 -13.171 -11.196 1.00 1.05 N ATOM 1336 CD2 HIS A 120 -2.975 -13.830 -9.258 1.00 0.83 C ATOM 1337 CE1 HIS A 120 -4.403 -14.255 -10.862 1.00 1.07 C ATOM 1338 NE2 HIS A 120 -3.968 -14.674 -9.690 1.00 0.94 N ATOM 1339 HA HIS A 120 -0.775 -12.386 -11.988 1.00 0.00 H ATOM 1340 HB2 HIS A 120 -1.657 -11.397 -9.256 1.00 0.00 H ATOM 1341 HB3 HIS A 120 -2.378 -10.907 -10.807 1.00 0.00 H ATOM 1342 HD2 HIS A 120 -2.418 -13.911 -8.324 1.00 0.00 H ATOM 1343 HE1 HIS A 120 -5.188 -14.725 -11.455 1.00 0.00 H ATOM 1344 H HIS A 120 0.535 -12.862 -9.321 1.00 0.00 H ATOM 1345 N GLU A 121 -0.217 -9.794 -11.853 1.00 0.81 N ATOM 1346 CA GLU A 121 0.411 -8.489 -11.951 1.00 0.78 C ATOM 1347 C GLU A 121 -0.484 -7.438 -11.316 1.00 0.68 C ATOM 1348 O GLU A 121 -1.709 -7.585 -11.289 1.00 0.90 O ATOM 1349 CB GLU A 121 0.679 -8.125 -13.415 1.00 1.03 C ATOM 1350 CG GLU A 121 1.853 -8.869 -14.035 1.00 1.68 C ATOM 1351 CD GLU A 121 3.196 -8.240 -13.709 1.00 2.44 C ATOM 1352 OE1 GLU A 121 3.391 -7.786 -12.560 1.00 2.94 O ATOM 1353 OE2 GLU A 121 4.070 -8.210 -14.605 1.00 3.06 O ATOM 1354 HA GLU A 121 1.364 -8.523 -11.422 1.00 0.00 H ATOM 1355 HB2 GLU A 121 -0.216 -8.353 -13.994 1.00 0.00 H ATOM 1356 HB3 GLU A 121 0.883 -7.056 -13.470 1.00 0.00 H ATOM 1357 HG2 GLU A 121 1.850 -9.894 -13.663 1.00 0.00 H ATOM 1358 HG3 GLU A 121 1.727 -8.876 -15.118 1.00 0.00 H ATOM 1359 H GLU A 121 -1.079 -9.982 -12.404 1.00 0.00 H ATOM 1360 N LEU A 122 0.123 -6.393 -10.788 1.00 0.50 N ATOM 1361 CA LEU A 122 -0.636 -5.270 -10.280 1.00 0.47 C ATOM 1362 C LEU A 122 -0.709 -4.211 -11.373 1.00 0.51 C ATOM 1363 O LEU A 122 0.279 -3.964 -12.064 1.00 0.52 O ATOM 1364 CB LEU A 122 -0.024 -4.706 -8.986 1.00 0.44 C ATOM 1365 CG LEU A 122 1.415 -4.207 -9.088 1.00 0.50 C ATOM 1366 CD1 LEU A 122 1.584 -2.952 -8.250 1.00 1.09 C ATOM 1367 CD2 LEU A 122 2.400 -5.269 -8.624 1.00 0.80 C ATOM 1368 HA LEU A 122 -1.642 -5.599 -10.019 1.00 0.00 H ATOM 1369 HB2 LEU A 122 -0.644 -3.871 -8.660 1.00 0.00 H ATOM 1370 HB3 LEU A 122 -0.052 -5.494 -8.233 1.00 0.00 H ATOM 1371 HG LEU A 122 1.623 -3.982 -10.134 1.00 0.00 H ATOM 1372 HD21 LEU A 122 2.193 -5.525 -7.585 1.00 0.00 H ATOM 1373 HD22 LEU A 122 2.295 -6.157 -9.247 1.00 0.00 H ATOM 1374 HD23 LEU A 122 3.416 -4.883 -8.709 1.00 0.00 H ATOM 1375 HD11 LEU A 122 0.907 -2.179 -8.614 1.00 0.00 H ATOM 1376 HD12 LEU A 122 1.353 -3.178 -7.209 1.00 0.00 H ATOM 1377 HD13 LEU A 122 2.613 -2.601 -8.327 1.00 0.00 H ATOM 1378 H LEU A 122 1.162 -6.376 -10.736 1.00 0.00 H ATOM 1379 N PRO A 123 -1.880 -3.584 -11.553 1.00 0.59 N ATOM 1380 CA PRO A 123 -2.140 -2.683 -12.689 1.00 0.69 C ATOM 1381 C PRO A 123 -1.247 -1.443 -12.719 1.00 0.65 C ATOM 1382 O PRO A 123 -1.240 -0.707 -13.709 1.00 0.75 O ATOM 1383 CB PRO A 123 -3.604 -2.271 -12.493 1.00 0.80 C ATOM 1384 CG PRO A 123 -3.886 -2.521 -11.050 1.00 0.78 C ATOM 1385 CD PRO A 123 -3.051 -3.708 -10.672 1.00 0.65 C ATOM 1386 HA PRO A 123 -1.932 -3.186 -13.633 1.00 0.00 H ATOM 1387 HD3 PRO A 123 -2.759 -3.663 -9.623 1.00 0.00 H ATOM 1388 HD2 PRO A 123 -3.586 -4.639 -10.860 1.00 0.00 H ATOM 1389 HG3 PRO A 123 -4.944 -2.737 -10.901 1.00 0.00 H ATOM 1390 HG2 PRO A 123 -3.606 -1.654 -10.452 1.00 0.00 H ATOM 1391 HB2 PRO A 123 -3.741 -1.217 -12.733 1.00 0.00 H ATOM 1392 HB3 PRO A 123 -4.259 -2.874 -13.122 1.00 0.00 H ATOM 1393 N ALA A 124 -0.502 -1.224 -11.635 1.00 0.55 N ATOM 1394 CA ALA A 124 0.348 -0.039 -11.476 1.00 0.54 C ATOM 1395 C ALA A 124 -0.501 1.230 -11.464 1.00 0.54 C ATOM 1396 O ALA A 124 0.001 2.345 -11.629 1.00 0.60 O ATOM 1397 CB ALA A 124 1.396 0.025 -12.579 1.00 0.64 C ATOM 1398 HA ALA A 124 0.866 -0.115 -10.520 1.00 0.00 H ATOM 1399 HB1 ALA A 124 2.022 -0.866 -12.536 1.00 0.00 H ATOM 1400 HB2 ALA A 124 0.899 0.075 -13.548 1.00 0.00 H ATOM 1401 HB3 ALA A 124 2.014 0.912 -12.440 1.00 0.00 H ATOM 1402 H ALA A 124 -0.525 -1.925 -10.867 1.00 0.00 H ATOM 1403 N ASP A 125 -1.787 1.037 -11.229 1.00 0.52 N ATOM 1404 CA ASP A 125 -2.757 2.120 -11.216 1.00 0.53 C ATOM 1405 C ASP A 125 -3.663 1.953 -10.008 1.00 0.49 C ATOM 1406 O ASP A 125 -3.728 0.863 -9.441 1.00 0.50 O ATOM 1407 CB ASP A 125 -3.573 2.087 -12.513 1.00 0.60 C ATOM 1408 CG ASP A 125 -4.515 3.263 -12.671 1.00 1.35 C ATOM 1409 OD1 ASP A 125 -4.236 4.346 -12.114 1.00 1.85 O ATOM 1410 OD2 ASP A 125 -5.534 3.112 -13.375 1.00 1.97 O ATOM 1411 HA ASP A 125 -2.250 3.083 -11.150 1.00 0.00 H ATOM 1412 HB2 ASP A 125 -2.881 2.085 -13.355 1.00 0.00 H ATOM 1413 HB3 ASP A 125 -4.162 1.170 -12.526 1.00 0.00 H ATOM 1414 H ASP A 125 -2.120 0.069 -11.045 1.00 0.00 H ATOM 1415 N LEU A 126 -4.355 3.007 -9.611 1.00 0.48 N ATOM 1416 CA LEU A 126 -5.270 2.919 -8.483 1.00 0.48 C ATOM 1417 C LEU A 126 -6.725 3.030 -8.937 1.00 0.45 C ATOM 1418 O LEU A 126 -7.260 4.132 -9.067 1.00 0.48 O ATOM 1419 CB LEU A 126 -4.956 3.999 -7.444 1.00 0.54 C ATOM 1420 CG LEU A 126 -3.624 3.830 -6.714 1.00 0.58 C ATOM 1421 CD1 LEU A 126 -3.347 5.026 -5.819 1.00 0.67 C ATOM 1422 CD2 LEU A 126 -3.619 2.543 -5.900 1.00 0.66 C ATOM 1423 HA LEU A 126 -5.132 1.940 -8.023 1.00 0.00 H ATOM 1424 HB2 LEU A 126 -4.943 4.963 -7.952 1.00 0.00 H ATOM 1425 HB3 LEU A 126 -5.752 3.993 -6.700 1.00 0.00 H ATOM 1426 HG LEU A 126 -2.832 3.769 -7.460 1.00 0.00 H ATOM 1427 HD21 LEU A 126 -4.424 2.576 -5.165 1.00 0.00 H ATOM 1428 HD22 LEU A 126 -3.768 1.693 -6.566 1.00 0.00 H ATOM 1429 HD23 LEU A 126 -2.662 2.442 -5.388 1.00 0.00 H ATOM 1430 HD11 LEU A 126 -3.305 5.930 -6.426 1.00 0.00 H ATOM 1431 HD12 LEU A 126 -4.144 5.119 -5.082 1.00 0.00 H ATOM 1432 HD13 LEU A 126 -2.394 4.884 -5.309 1.00 0.00 H ATOM 1433 H LEU A 126 -4.244 3.912 -10.112 1.00 0.00 H ATOM 1434 N PRO A 127 -7.364 1.885 -9.236 1.00 0.43 N ATOM 1435 CA PRO A 127 -8.802 1.829 -9.505 1.00 0.41 C ATOM 1436 C PRO A 127 -9.621 2.072 -8.236 1.00 0.36 C ATOM 1437 O PRO A 127 -9.124 1.879 -7.125 1.00 0.39 O ATOM 1438 CB PRO A 127 -9.009 0.400 -10.023 1.00 0.50 C ATOM 1439 CG PRO A 127 -7.887 -0.381 -9.441 1.00 0.52 C ATOM 1440 CD PRO A 127 -6.724 0.565 -9.385 1.00 0.47 C ATOM 1441 HA PRO A 127 -9.127 2.595 -10.209 1.00 0.00 H ATOM 1442 HD3 PRO A 127 -6.082 0.344 -8.532 1.00 0.00 H ATOM 1443 HD2 PRO A 127 -6.137 0.517 -10.302 1.00 0.00 H ATOM 1444 HG3 PRO A 127 -7.651 -1.238 -10.073 1.00 0.00 H ATOM 1445 HG2 PRO A 127 -8.144 -0.729 -8.440 1.00 0.00 H ATOM 1446 HB2 PRO A 127 -9.968 0.004 -9.687 1.00 0.00 H ATOM 1447 HB3 PRO A 127 -8.969 0.376 -11.112 1.00 0.00 H ATOM 1448 N PRO A 128 -10.896 2.476 -8.388 1.00 0.34 N ATOM 1449 CA PRO A 128 -11.784 2.810 -7.260 1.00 0.37 C ATOM 1450 C PRO A 128 -12.002 1.661 -6.269 1.00 0.42 C ATOM 1451 O PRO A 128 -12.603 1.859 -5.216 1.00 0.63 O ATOM 1452 CB PRO A 128 -13.110 3.175 -7.940 1.00 0.44 C ATOM 1453 CG PRO A 128 -12.739 3.539 -9.335 1.00 0.60 C ATOM 1454 CD PRO A 128 -11.568 2.669 -9.684 1.00 0.38 C ATOM 1455 HA PRO A 128 -11.349 3.605 -6.655 1.00 0.00 H ATOM 1456 HD3 PRO A 128 -11.898 1.717 -10.100 1.00 0.00 H ATOM 1457 HD2 PRO A 128 -10.909 3.166 -10.396 1.00 0.00 H ATOM 1458 HG3 PRO A 128 -12.461 4.591 -9.392 1.00 0.00 H ATOM 1459 HG2 PRO A 128 -13.571 3.347 -10.012 1.00 0.00 H ATOM 1460 HB2 PRO A 128 -13.791 2.324 -7.934 1.00 0.00 H ATOM 1461 HB3 PRO A 128 -13.580 4.019 -7.435 1.00 0.00 H ATOM 1462 N HIS A 129 -11.519 0.464 -6.595 1.00 0.42 N ATOM 1463 CA HIS A 129 -11.658 -0.661 -5.679 1.00 0.50 C ATOM 1464 C HIS A 129 -10.312 -1.033 -5.051 1.00 0.50 C ATOM 1465 O HIS A 129 -10.233 -1.948 -4.234 1.00 0.57 O ATOM 1466 CB HIS A 129 -12.301 -1.876 -6.370 1.00 0.58 C ATOM 1467 CG HIS A 129 -11.446 -2.556 -7.398 1.00 0.63 C ATOM 1468 ND1 HIS A 129 -11.550 -2.326 -8.751 1.00 0.68 N ATOM 1469 CD2 HIS A 129 -10.492 -3.498 -7.256 1.00 0.76 C ATOM 1470 CE1 HIS A 129 -10.697 -3.100 -9.392 1.00 0.81 C ATOM 1471 NE2 HIS A 129 -10.042 -3.826 -8.510 1.00 0.86 N ATOM 1472 HA HIS A 129 -12.327 -0.348 -4.877 1.00 0.00 H ATOM 1473 HB2 HIS A 129 -12.550 -2.608 -5.602 1.00 0.00 H ATOM 1474 HB3 HIS A 129 -13.215 -1.540 -6.860 1.00 0.00 H ATOM 1475 HD2 HIS A 129 -10.142 -3.922 -6.315 1.00 0.00 H ATOM 1476 HE1 HIS A 129 -10.557 -3.134 -10.472 1.00 0.00 H ATOM 1477 H HIS A 129 -11.040 0.331 -7.508 1.00 0.00 H ATOM 1478 N LEU A 130 -9.253 -0.336 -5.463 1.00 0.46 N ATOM 1479 CA LEU A 130 -7.937 -0.488 -4.857 1.00 0.48 C ATOM 1480 C LEU A 130 -7.659 0.660 -3.903 1.00 0.41 C ATOM 1481 O LEU A 130 -7.072 0.475 -2.844 1.00 0.53 O ATOM 1482 CB LEU A 130 -6.859 -0.498 -5.942 1.00 0.56 C ATOM 1483 CG LEU A 130 -6.270 -1.860 -6.310 1.00 0.76 C ATOM 1484 CD1 LEU A 130 -5.417 -2.399 -5.174 1.00 1.10 C ATOM 1485 CD2 LEU A 130 -7.355 -2.855 -6.671 1.00 1.19 C ATOM 1486 HA LEU A 130 -7.920 -1.430 -4.309 1.00 0.00 H ATOM 1487 HB2 LEU A 130 -7.295 -0.071 -6.845 1.00 0.00 H ATOM 1488 HB3 LEU A 130 -6.040 0.135 -5.601 1.00 0.00 H ATOM 1489 HG LEU A 130 -5.639 -1.719 -7.187 1.00 0.00 H ATOM 1490 HD21 LEU A 130 -8.024 -2.986 -5.820 1.00 0.00 H ATOM 1491 HD22 LEU A 130 -7.920 -2.481 -7.525 1.00 0.00 H ATOM 1492 HD23 LEU A 130 -6.899 -3.811 -6.927 1.00 0.00 H ATOM 1493 HD11 LEU A 130 -4.602 -1.704 -4.972 1.00 0.00 H ATOM 1494 HD12 LEU A 130 -6.032 -2.509 -4.281 1.00 0.00 H ATOM 1495 HD13 LEU A 130 -5.008 -3.369 -5.457 1.00 0.00 H ATOM 1496 H LEU A 130 -9.370 0.340 -6.245 1.00 0.00 H ATOM 1497 N VAL A 131 -8.120 1.837 -4.276 1.00 0.48 N ATOM 1498 CA VAL A 131 -7.834 3.041 -3.514 1.00 0.48 C ATOM 1499 C VAL A 131 -8.726 3.131 -2.277 1.00 0.52 C ATOM 1500 O VAL A 131 -9.953 3.061 -2.366 1.00 0.68 O ATOM 1501 CB VAL A 131 -7.975 4.312 -4.388 1.00 0.68 C ATOM 1502 CG1 VAL A 131 -9.360 4.405 -5.010 1.00 1.34 C ATOM 1503 CG2 VAL A 131 -7.655 5.556 -3.577 1.00 1.02 C ATOM 1504 HA VAL A 131 -6.797 2.980 -3.182 1.00 0.00 H ATOM 1505 HB VAL A 131 -7.255 4.242 -5.203 1.00 0.00 H ATOM 1506 HG11 VAL A 131 -9.534 3.531 -5.638 1.00 0.00 H ATOM 1507 HG12 VAL A 131 -10.110 4.442 -4.220 1.00 0.00 H ATOM 1508 HG13 VAL A 131 -9.425 5.308 -5.617 1.00 0.00 H ATOM 1509 HG21 VAL A 131 -8.344 5.627 -2.736 1.00 0.00 H ATOM 1510 HG22 VAL A 131 -6.632 5.493 -3.206 1.00 0.00 H ATOM 1511 HG23 VAL A 131 -7.760 6.437 -4.209 1.00 0.00 H ATOM 1512 H VAL A 131 -8.702 1.906 -5.135 1.00 0.00 H ATOM 1513 N PRO A 132 -8.100 3.256 -1.098 1.00 0.54 N ATOM 1514 CA PRO A 132 -8.817 3.402 0.165 1.00 0.77 C ATOM 1515 C PRO A 132 -9.618 4.698 0.212 1.00 0.84 C ATOM 1516 O PRO A 132 -9.092 5.775 -0.085 1.00 0.78 O ATOM 1517 CB PRO A 132 -7.705 3.437 1.223 1.00 0.90 C ATOM 1518 CG PRO A 132 -6.484 2.918 0.541 1.00 0.77 C ATOM 1519 CD PRO A 132 -6.643 3.261 -0.909 1.00 0.52 C ATOM 1520 HA PRO A 132 -9.536 2.597 0.316 1.00 0.00 H ATOM 1521 HD3 PRO A 132 -6.224 4.243 -1.127 1.00 0.00 H ATOM 1522 HD2 PRO A 132 -6.164 2.514 -1.542 1.00 0.00 H ATOM 1523 HG3 PRO A 132 -6.408 1.838 0.669 1.00 0.00 H ATOM 1524 HG2 PRO A 132 -5.592 3.394 0.947 1.00 0.00 H ATOM 1525 HB2 PRO A 132 -7.542 4.457 1.570 1.00 0.00 H ATOM 1526 HB3 PRO A 132 -7.966 2.803 2.071 1.00 0.00 H ATOM 1527 N PRO A 133 -10.892 4.616 0.625 1.00 1.04 N ATOM 1528 CA PRO A 133 -11.776 5.785 0.738 1.00 1.17 C ATOM 1529 C PRO A 133 -11.302 6.763 1.811 1.00 1.12 C ATOM 1530 O PRO A 133 -11.876 7.837 1.993 1.00 1.21 O ATOM 1531 CB PRO A 133 -13.130 5.174 1.120 1.00 1.41 C ATOM 1532 CG PRO A 133 -12.799 3.858 1.732 1.00 1.44 C ATOM 1533 CD PRO A 133 -11.578 3.370 1.008 1.00 1.26 C ATOM 1534 HA PRO A 133 -11.806 6.367 -0.183 1.00 0.00 H ATOM 1535 HD3 PRO A 133 -10.951 2.764 1.662 1.00 0.00 H ATOM 1536 HD2 PRO A 133 -11.852 2.788 0.128 1.00 0.00 H ATOM 1537 HG3 PRO A 133 -13.625 3.159 1.600 1.00 0.00 H ATOM 1538 HG2 PRO A 133 -12.590 3.975 2.795 1.00 0.00 H ATOM 1539 HB2 PRO A 133 -13.650 5.810 1.836 1.00 0.00 H ATOM 1540 HB3 PRO A 133 -13.753 5.040 0.236 1.00 0.00 H ATOM 1541 N SER A 134 -10.222 6.391 2.480 1.00 1.08 N ATOM 1542 CA SER A 134 -9.661 7.176 3.563 1.00 1.11 C ATOM 1543 C SER A 134 -8.863 8.356 3.013 1.00 1.04 C ATOM 1544 O SER A 134 -8.486 9.266 3.746 1.00 1.19 O ATOM 1545 CB SER A 134 -8.771 6.268 4.415 1.00 1.23 C ATOM 1546 OG SER A 134 -8.248 6.937 5.545 1.00 1.77 O ATOM 1547 HA SER A 134 -10.464 7.581 4.179 1.00 0.00 H ATOM 1548 HB2 SER A 134 -7.942 5.914 3.802 1.00 0.00 H ATOM 1549 HB3 SER A 134 -9.361 5.416 4.753 1.00 0.00 H ATOM 1550 HG SER A 134 -7.681 6.313 6.064 1.00 0.00 H ATOM 1551 H SER A 134 -9.756 5.499 2.218 1.00 0.00 H ATOM 1552 N LYS A 135 -8.605 8.337 1.712 1.00 0.92 N ATOM 1553 CA LYS A 135 -7.841 9.401 1.085 1.00 0.89 C ATOM 1554 C LYS A 135 -8.710 10.213 0.129 1.00 1.08 C ATOM 1555 O LYS A 135 -8.207 11.056 -0.616 1.00 1.17 O ATOM 1556 CB LYS A 135 -6.617 8.835 0.356 1.00 0.70 C ATOM 1557 CG LYS A 135 -5.525 8.337 1.294 1.00 0.76 C ATOM 1558 CD LYS A 135 -5.603 6.835 1.539 1.00 0.74 C ATOM 1559 CE LYS A 135 -4.655 6.410 2.655 1.00 0.76 C ATOM 1560 NZ LYS A 135 -5.021 6.994 3.979 1.00 1.20 N ATOM 1561 HA LYS A 135 -7.492 10.070 1.872 1.00 0.00 H ATOM 1562 HB2 LYS A 135 -6.942 8.002 -0.268 1.00 0.00 H ATOM 1563 HB3 LYS A 135 -6.198 9.619 -0.275 1.00 0.00 H ATOM 1564 HG2 LYS A 135 -4.555 8.570 0.855 1.00 0.00 H ATOM 1565 HG3 LYS A 135 -5.623 8.852 2.249 1.00 0.00 H ATOM 1566 HD2 LYS A 135 -6.623 6.572 1.819 1.00 0.00 H ATOM 1567 HD3 LYS A 135 -5.332 6.310 0.623 1.00 0.00 H ATOM 1568 HE2 LYS A 135 -3.647 6.734 2.398 1.00 0.00 H ATOM 1569 HE3 LYS A 135 -4.677 5.323 2.736 1.00 0.00 H ATOM 1570 HZ1 LYS A 135 -4.995 8.032 3.918 1.00 0.00 H ATOM 1571 HZ2 LYS A 135 -5.979 6.685 4.240 1.00 0.00 H ATOM 1572 HZ3 LYS A 135 -4.343 6.671 4.698 1.00 0.00 H ATOM 1573 H LYS A 135 -8.955 7.548 1.132 1.00 0.00 H ATOM 1574 N ARG A 136 -10.017 9.979 0.172 1.00 1.27 N ATOM 1575 CA ARG A 136 -10.944 10.688 -0.701 1.00 1.57 C ATOM 1576 C ARG A 136 -11.592 11.843 0.049 1.00 1.77 C ATOM 1577 O ARG A 136 -12.607 11.665 0.722 1.00 1.84 O ATOM 1578 CB ARG A 136 -12.042 9.762 -1.228 1.00 1.78 C ATOM 1579 CG ARG A 136 -11.535 8.492 -1.890 1.00 1.61 C ATOM 1580 CD ARG A 136 -12.691 7.664 -2.427 1.00 1.59 C ATOM 1581 NE ARG A 136 -13.750 7.501 -1.432 1.00 2.11 N ATOM 1582 CZ ARG A 136 -14.907 6.878 -1.656 1.00 2.90 C ATOM 1583 NH1 ARG A 136 -15.158 6.326 -2.842 1.00 2.91 N ATOM 1584 NH2 ARG A 136 -15.805 6.804 -0.684 1.00 3.94 N ATOM 1585 HA ARG A 136 -10.370 11.065 -1.547 1.00 0.00 H ATOM 1586 HB2 ARG A 136 -12.679 9.478 -0.390 1.00 0.00 H ATOM 1587 HB3 ARG A 136 -12.631 10.315 -1.959 1.00 0.00 H ATOM 1588 HG2 ARG A 136 -10.873 8.758 -2.714 1.00 0.00 H ATOM 1589 HG3 ARG A 136 -10.983 7.903 -1.158 1.00 0.00 H ATOM 1590 HD2 ARG A 136 -12.319 6.680 -2.711 1.00 0.00 H ATOM 1591 HD3 ARG A 136 -13.104 8.162 -3.304 1.00 0.00 H ATOM 1592 HE ARG A 136 -13.590 7.898 -0.484 1.00 0.00 H ATOM 1593 HH12 ARG A 136 -16.063 5.842 -3.009 1.00 0.00 H ATOM 1594 HH11 ARG A 136 -14.449 6.379 -3.601 1.00 0.00 H ATOM 1595 HH22 ARG A 136 -16.711 6.320 -0.849 1.00 0.00 H ATOM 1596 HH21 ARG A 136 -15.604 7.230 0.243 1.00 0.00 H ATOM 1597 H ARG A 136 -10.386 9.275 0.843 1.00 0.00 H ATOM 1598 N ARG A 137 -10.993 13.019 -0.045 1.00 2.14 N ATOM 1599 CA ARG A 137 -11.553 14.198 0.595 1.00 2.49 C ATOM 1600 C ARG A 137 -12.376 14.997 -0.403 1.00 2.90 C ATOM 1601 O ARG A 137 -11.849 15.490 -1.400 1.00 3.24 O ATOM 1602 CB ARG A 137 -10.451 15.074 1.190 1.00 2.98 C ATOM 1603 CG ARG A 137 -9.714 14.419 2.347 1.00 3.22 C ATOM 1604 CD ARG A 137 -8.778 15.396 3.044 1.00 3.32 C ATOM 1605 NE ARG A 137 -8.135 14.802 4.216 1.00 3.82 N ATOM 1606 CZ ARG A 137 -8.500 15.049 5.473 1.00 4.31 C ATOM 1607 NH1 ARG A 137 -9.510 15.873 5.734 1.00 4.36 N ATOM 1608 NH2 ARG A 137 -7.842 14.482 6.472 1.00 5.08 N ATOM 1609 HA ARG A 137 -12.201 13.868 1.407 1.00 0.00 H ATOM 1610 HB2 ARG A 137 -9.729 15.302 0.405 1.00 0.00 H ATOM 1611 HB3 ARG A 137 -10.901 16.000 1.547 1.00 0.00 H ATOM 1612 HG2 ARG A 137 -10.444 14.053 3.069 1.00 0.00 H ATOM 1613 HG3 ARG A 137 -9.130 13.581 1.965 1.00 0.00 H ATOM 1614 HD2 ARG A 137 -9.351 16.267 3.361 1.00 0.00 H ATOM 1615 HD3 ARG A 137 -8.007 15.707 2.340 1.00 0.00 H ATOM 1616 HE ARG A 137 -7.344 14.146 4.058 1.00 0.00 H ATOM 1617 HH12 ARG A 137 -9.788 16.060 6.719 1.00 0.00 H ATOM 1618 HH11 ARG A 137 -10.022 16.331 4.953 1.00 0.00 H ATOM 1619 HH22 ARG A 137 -8.124 14.672 7.455 1.00 0.00 H ATOM 1620 HH21 ARG A 137 -7.043 13.846 6.274 1.00 0.00 H ATOM 1621 H ARG A 137 -10.108 13.101 -0.585 1.00 0.00 H ATOM 1622 N HIS A 138 -13.670 15.099 -0.145 1.00 3.17 N ATOM 1623 CA HIS A 138 -14.563 15.847 -1.018 1.00 3.78 C ATOM 1624 C HIS A 138 -15.043 17.120 -0.338 1.00 4.42 C ATOM 1625 O HIS A 138 -15.430 17.102 0.831 1.00 4.61 O ATOM 1626 CB HIS A 138 -15.770 14.985 -1.440 1.00 3.96 C ATOM 1627 CG HIS A 138 -16.842 15.757 -2.165 1.00 4.82 C ATOM 1628 ND1 HIS A 138 -16.894 15.876 -3.535 1.00 5.23 N ATOM 1629 CD2 HIS A 138 -17.887 16.482 -1.691 1.00 5.64 C ATOM 1630 CE1 HIS A 138 -17.914 16.644 -3.870 1.00 6.14 C ATOM 1631 NE2 HIS A 138 -18.536 17.028 -2.769 1.00 6.35 N ATOM 1632 HA HIS A 138 -14.002 16.120 -1.912 1.00 0.00 H ATOM 1633 HB2 HIS A 138 -15.414 14.191 -2.096 1.00 0.00 H ATOM 1634 HB3 HIS A 138 -16.209 14.545 -0.545 1.00 0.00 H ATOM 1635 HD2 HIS A 138 -18.161 16.608 -0.643 1.00 0.00 H ATOM 1636 HE1 HIS A 138 -18.197 16.916 -4.887 1.00 0.00 H ATOM 1637 H HIS A 138 -14.058 14.634 0.701 1.00 0.00 H ATOM 1638 N GLU A 139 -15.006 18.213 -1.077 1.00 4.94 N ATOM 1639 CA GLU A 139 -15.630 19.453 -0.656 1.00 5.66 C ATOM 1640 C GLU A 139 -16.520 19.968 -1.788 1.00 6.11 C ATOM 1641 O GLU A 139 -17.752 19.840 -1.672 1.00 6.84 O ATOM 1642 CB GLU A 139 -14.585 20.504 -0.236 1.00 6.47 C ATOM 1643 CG GLU A 139 -13.487 20.755 -1.259 1.00 7.07 C ATOM 1644 CD GLU A 139 -12.473 21.780 -0.788 1.00 7.78 C ATOM 1645 OE1 GLU A 139 -12.826 22.977 -0.700 1.00 8.21 O ATOM 1646 OE2 GLU A 139 -11.323 21.395 -0.480 1.00 8.14 O ATOM 1647 HA GLU A 139 -16.242 19.262 0.225 1.00 0.00 H ATOM 1648 OXT GLU A 139 -15.977 20.421 -2.822 1.00 6.00 O ATOM 1649 HB2 GLU A 139 -15.104 21.446 -0.057 1.00 0.00 H ATOM 1650 HB3 GLU A 139 -14.117 20.167 0.689 1.00 0.00 H ATOM 1651 HG2 GLU A 139 -12.969 19.816 -1.453 1.00 0.00 H ATOM 1652 HG3 GLU A 139 -13.944 21.114 -2.181 1.00 0.00 H ATOM 1653 H GLU A 139 -14.513 18.184 -1.992 1.00 0.00 H TER 1654 GLU A 139 HETATM 1655 CA CA A 1 1.018 7.320 4.052 1.00 0.37 CA HETATM 1656 N PHE A 2 13.289 17.724 -15.845 1.00 0.24 N HETATM 1657 CA PHE A 2 12.371 16.710 -15.287 1.00 0.07 C HETATM 1658 C PHE A 2 13.124 15.775 -14.349 1.00 0.23 C HETATM 1659 O PHE A 2 13.936 14.961 -14.789 1.00 -0.39 O HETATM 1660 N PHE A 2 12.876 15.924 -13.059 1.00 -0.26 N HETATM 1661 CA PHE A 2 13.472 15.061 -12.048 1.00 0.15 C HETATM 1662 C PHE A 2 12.438 14.729 -10.981 1.00 0.21 C HETATM 1663 O PHE A 2 12.170 13.556 -10.714 1.00 -0.39 O HETATM 1664 N PHE A 2 11.853 15.779 -10.402 1.00 -0.26 N HETATM 1665 CA PHE A 2 10.811 15.656 -9.381 1.00 0.14 C HETATM 1666 C PHE A 2 11.356 15.142 -8.051 1.00 0.21 C HETATM 1667 O PHE A 2 12.419 14.521 -7.983 1.00 -0.39 O HETATM 1668 N PHE A 2 10.615 15.431 -6.990 1.00 -0.26 N HETATM 1669 CA PHE A 2 10.986 15.015 -5.647 1.00 0.13 C HETATM 1670 C PHE A 2 10.560 13.578 -5.402 1.00 0.20 C HETATM 1671 O PHE A 2 9.410 13.311 -5.045 1.00 -0.39 O HETATM 1672 N PHE A 2 11.478 12.653 -5.622 1.00 -0.26 N HETATM 1673 CA PHE A 2 11.193 11.246 -5.411 1.00 0.15 C HETATM 1674 C PHE A 2 11.053 10.945 -3.920 1.00 0.21 C HETATM 1675 O PHE A 2 11.991 11.134 -3.143 1.00 -0.39 O HETATM 1676 N PHE A 2 9.872 10.493 -3.525 1.00 -0.26 N HETATM 1677 CA PHE A 2 9.612 10.147 -2.139 1.00 0.16 C HETATM 1678 C PHE A 2 9.549 8.626 -1.991 1.00 0.21 C HETATM 1679 O PHE A 2 9.001 8.091 -1.027 1.00 -0.39 O HETATM 1680 N PHE A 2 10.126 7.933 -2.964 1.00 -0.26 N HETATM 1681 CA PHE A 2 10.155 6.480 -2.961 1.00 0.15 C HETATM 1682 C PHE A 2 11.506 5.978 -2.451 1.00 0.21 C HETATM 1683 O PHE A 2 12.526 6.123 -3.127 1.00 -0.39 O HETATM 1684 N PHE A 2 11.523 5.373 -1.251 1.00 -0.25 N HETATM 1685 CA PHE A 2 12.755 4.903 -0.594 1.00 0.13 C HETATM 1686 C PHE A 2 13.338 3.652 -1.244 1.00 0.20 C HETATM 1687 O PHE A 2 14.395 3.165 -0.843 1.00 -0.39 O HETATM 1688 N PHE A 2 12.649 3.133 -2.245 1.00 -0.26 N HETATM 1689 CA PHE A 2 13.109 1.939 -2.935 1.00 0.14 C HETATM 1690 C PHE A 2 13.969 2.304 -4.134 1.00 0.21 C HETATM 1691 O PHE A 2 14.731 1.480 -4.628 1.00 -0.39 O HETATM 1692 N PHE A 2 13.843 3.537 -4.604 1.00 -0.26 N HETATM 1693 CA PHE A 2 14.631 3.983 -5.739 1.00 0.16 C HETATM 1694 C PHE A 2 15.610 5.086 -5.332 1.00 0.21 C HETATM 1695 O PHE A 2 16.769 5.052 -5.741 1.00 -0.39 O HETATM 1696 N PHE A 2 15.134 6.040 -4.510 1.00 -0.26 N HETATM 1697 CA PHE A 2 15.945 7.167 -4.018 1.00 0.13 C HETATM 1698 C PHE A 2 16.400 8.098 -5.150 1.00 0.20 C HETATM 1699 O PHE A 2 15.963 9.249 -5.228 1.00 -0.39 O HETATM 1700 N PHE A 2 17.269 7.576 -6.014 1.00 -0.27 N HETATM 1701 CA PHE A 2 17.834 8.307 -7.145 1.00 0.09 C HETATM 1702 C PHE A 2 18.693 9.476 -6.661 1.00 0.06 C HETATM 1703 O PHE A 2 19.754 9.220 -6.062 1.00 -0.57 O HETATM 1704 OXT PHE A 2 18.316 10.645 -6.905 1.00 -0.57 O HETATM 1705 CB PHE A 2 16.734 8.814 -8.081 1.00 -0.02 C HETATM 1706 CG PHE A 2 17.182 8.904 -9.531 1.00 -0.04 C HETATM 1707 CD PHE A 2 16.364 9.920 -10.317 1.00 -0.01 C HETATM 1708 CE PHE A 2 17.035 11.288 -10.331 1.00 -0.04 C HETATM 1709 NZ PHE A 2 17.116 11.905 -8.975 1.00 0.22 N HETATM 1710 H89 PHE A 2 17.566 12.804 -9.041 1.00 0.20 H HETATM 1711 H90 PHE A 2 17.650 11.306 -8.365 1.00 0.20 H HETATM 1712 H91 PHE A 2 16.186 12.021 -8.603 1.00 0.20 H HETATM 1713 H87 PHE A 2 16.458 11.956 -10.987 1.00 0.08 H HETATM 1714 H88 PHE A 2 18.055 11.175 -10.728 1.00 0.08 H HETATM 1715 H85 PHE A 2 15.371 10.014 -9.854 1.00 0.03 H HETATM 1716 H86 PHE A 2 16.254 9.566 -11.352 1.00 0.03 H HETATM 1717 H83 PHE A 2 17.067 7.916 -10.001 1.00 0.03 H HETATM 1718 H84 PHE A 2 18.240 9.202 -9.558 1.00 0.03 H HETATM 1719 H81 PHE A 2 16.424 9.815 -7.747 1.00 0.03 H HETATM 1720 H82 PHE A 2 15.878 8.126 -8.021 1.00 0.03 H HETATM 1721 H80 PHE A 2 18.477 7.617 -7.711 1.00 0.07 H HETATM 1722 H79 PHE A 2 17.552 6.626 -5.880 1.00 0.19 H HETATM 1723 CB PHE A 2 17.145 6.666 -3.222 1.00 -0.02 C HETATM 1724 H76 PHE A 2 17.733 7.525 -2.866 1.00 0.03 H HETATM 1725 H77 PHE A 2 17.773 6.032 -3.865 1.00 0.03 H HETATM 1726 H78 PHE A 2 16.794 6.080 -2.360 1.00 0.03 H HETATM 1727 H75 PHE A 2 15.312 7.757 -3.338 1.00 0.08 H HETATM 1728 H74 PHE A 2 14.179 5.980 -4.218 1.00 0.19 H HETATM 1729 CB PHE A 2 13.736 4.448 -6.921 1.00 0.09 C HETATM 1730 OG1 PHE A 2 14.546 4.790 -8.056 1.00 -0.39 O HETATM 1731 H70 PHE A 2 13.986 5.072 -8.770 1.00 0.21 H HETATM 1732 CG2 PHE A 2 12.871 5.642 -6.541 1.00 -0.03 C HETATM 1733 H71 PHE A 2 12.255 5.938 -7.403 1.00 0.03 H HETATM 1734 H72 PHE A 2 13.516 6.483 -6.245 1.00 0.03 H HETATM 1735 H73 PHE A 2 12.217 5.368 -5.700 1.00 0.03 H HETATM 1736 H69 PHE A 2 13.074 3.615 -7.199 1.00 0.06 H HETATM 1737 H68 PHE A 2 15.222 3.124 -6.089 1.00 0.08 H HETATM 1738 H67 PHE A 2 13.198 4.167 -4.172 1.00 0.19 H HETATM 1739 CB PHE A 2 11.922 1.080 -3.379 1.00 0.02 C HETATM 1740 CG PHE A 2 11.162 0.483 -2.234 1.00 -0.04 C HETATM 1741 CD1 PHE A 2 11.602 -0.683 -1.642 1.00 -0.06 C HETATM 1742 CE1 PHE A 2 10.905 -1.249 -0.594 1.00 -0.07 C HETATM 1743 CZ PHE A 2 9.755 -0.604 -0.106 1.00 -0.07 C HETATM 1744 CE2 PHE A 2 9.304 0.526 -0.711 1.00 -0.07 C HETATM 1745 CD2 PHE A 2 10.007 1.083 -1.759 1.00 -0.06 C HETATM 1746 H63 PHE A 2 9.652 2.000 -2.216 1.00 0.06 H HETATM 1747 H65 PHE A 2 8.387 0.992 -0.368 1.00 0.06 H HETATM 1748 H66 PHE A 2 9.229 -1.008 0.752 1.00 0.06 H HETATM 1749 H64 PHE A 2 11.240 -2.180 -0.152 1.00 0.06 H HETATM 1750 H62 PHE A 2 12.505 -1.160 -2.004 1.00 0.06 H HETATM 1751 H60 PHE A 2 12.299 0.263 -4.011 1.00 0.05 H HETATM 1752 H61 PHE A 2 11.235 1.709 -3.964 1.00 0.05 H HETATM 1753 H59 PHE A 2 13.721 1.351 -2.236 1.00 0.08 H HETATM 1754 H58 PHE A 2 11.796 3.569 -2.533 1.00 0.19 H HETATM 1755 CB PHE A 2 12.304 4.589 0.843 1.00 -0.01 C HETATM 1756 CG PHE A 2 10.909 5.117 0.961 1.00 -0.03 C HETATM 1757 CD PHE A 2 10.344 5.103 -0.425 1.00 0.04 C HETATM 1758 H56 PHE A 2 9.906 4.123 -0.666 1.00 0.05 H HETATM 1759 H57 PHE A 2 9.582 5.886 -0.551 1.00 0.05 H HETATM 1760 H54 PHE A 2 10.921 6.143 1.359 1.00 0.03 H HETATM 1761 H55 PHE A 2 10.312 4.474 1.624 1.00 0.03 H HETATM 1762 H52 PHE A 2 12.964 5.087 1.568 1.00 0.03 H HETATM 1763 H53 PHE A 2 12.318 3.503 1.020 1.00 0.03 H HETATM 1764 H51 PHE A 2 13.516 5.697 -0.601 1.00 0.08 H HETATM 1765 CB PHE A 2 9.890 5.941 -4.368 1.00 0.08 C HETATM 1766 CG PHE A 2 9.866 4.427 -4.411 1.00 0.18 C HETATM 1767 OD1 PHE A 2 10.895 3.781 -4.592 1.00 -0.40 O HETATM 1768 ND2 PHE A 2 8.691 3.849 -4.243 1.00 -0.30 N HETATM 1769 H49 PHE A 2 8.617 2.852 -4.262 1.00 0.18 H HETATM 1770 H50 PHE A 2 7.875 4.408 -4.097 1.00 0.18 H HETATM 1771 H47 PHE A 2 10.683 6.301 -5.040 1.00 0.06 H HETATM 1772 H48 PHE A 2 8.917 6.320 -4.714 1.00 0.06 H HETATM 1773 H46 PHE A 2 9.366 6.113 -2.288 1.00 0.08 H HETATM 1774 H45 PHE A 2 10.554 8.425 -3.722 1.00 0.19 H HETATM 1775 CB PHE A 2 8.291 10.781 -1.658 1.00 0.09 C HETATM 1776 OG1 PHE A 2 8.178 12.110 -2.187 1.00 -0.39 O HETATM 1777 H41 PHE A 2 8.185 12.073 -3.136 1.00 0.21 H HETATM 1778 CG2 PHE A 2 8.228 10.841 -0.135 1.00 -0.03 C HETATM 1779 H42 PHE A 2 7.276 11.297 0.175 1.00 0.03 H HETATM 1780 H43 PHE A 2 9.065 11.447 0.243 1.00 0.03 H HETATM 1781 H44 PHE A 2 8.297 9.823 0.275 1.00 0.03 H HETATM 1782 H40 PHE A 2 7.451 10.172 -2.025 1.00 0.06 H HETATM 1783 H39 PHE A 2 10.434 10.532 -1.518 1.00 0.08 H HETATM 1784 H38 PHE A 2 9.141 10.387 -4.199 1.00 0.19 H HETATM 1785 CB PHE A 2 12.289 10.376 -6.038 1.00 0.08 C HETATM 1786 OG PHE A 2 11.936 8.999 -6.013 1.00 -0.39 O HETATM 1787 H37 PHE A 2 12.633 8.487 -6.407 1.00 0.21 H HETATM 1788 H35 PHE A 2 13.223 10.516 -5.475 1.00 0.06 H HETATM 1789 H36 PHE A 2 12.440 10.688 -7.082 1.00 0.06 H HETATM 1790 H34 PHE A 2 10.238 11.008 -5.903 1.00 0.08 H HETATM 1791 H33 PHE A 2 12.386 12.928 -5.940 1.00 0.19 H HETATM 1792 CB PHE A 2 10.347 15.923 -4.587 1.00 -0.00 C HETATM 1793 CG PHE A 2 10.793 17.377 -4.649 1.00 0.00 C HETATM 1794 CD PHE A 2 10.345 18.094 -5.908 1.00 0.04 C HETATM 1795 OE1 PHE A 2 9.250 17.773 -6.412 1.00 -0.57 O HETATM 1796 OE2 PHE A 2 11.087 18.966 -6.410 1.00 -0.57 O HETATM 1797 H31 PHE A 2 11.892 17.406 -4.604 1.00 0.04 H HETATM 1798 H32 PHE A 2 10.376 17.907 -3.780 1.00 0.04 H HETATM 1799 H29 PHE A 2 10.605 15.527 -3.594 1.00 0.03 H HETATM 1800 H30 PHE A 2 9.256 15.893 -4.721 1.00 0.03 H HETATM 1801 H28 PHE A 2 12.080 15.081 -5.553 1.00 0.08 H HETATM 1802 H27 PHE A 2 9.772 15.953 -7.118 1.00 0.19 H HETATM 1803 CB PHE A 2 9.658 14.763 -9.857 1.00 0.02 C HETATM 1804 CG PHE A 2 8.731 15.429 -10.854 1.00 -0.05 C HETATM 1805 CD1 PHE A 2 7.833 16.408 -10.453 1.00 -0.07 C HETATM 1806 CE1 PHE A 2 6.998 17.028 -11.364 1.00 -0.04 C HETATM 1807 CZ PHE A 2 7.004 16.636 -12.673 1.00 0.08 C HETATM 1808 CE2 PHE A 2 7.933 15.696 -13.117 1.00 -0.04 C HETATM 1809 CD2 PHE A 2 8.766 15.084 -12.201 1.00 -0.07 C HETATM 1810 H23 PHE A 2 9.459 14.322 -12.538 1.00 0.05 H HETATM 1811 H25 PHE A 2 8.001 15.448 -14.170 1.00 0.05 H HETATM 1812 OH PHE A 2 6.228 17.289 -13.606 1.00 -0.34 O HETATM 1813 H26 PHE A 2 5.645 17.895 -13.163 1.00 0.25 H HETATM 1814 H24 PHE A 2 6.339 17.825 -11.040 1.00 0.05 H HETATM 1815 H22 PHE A 2 7.785 16.692 -9.408 1.00 0.05 H HETATM 1816 H20 PHE A 2 9.065 14.466 -8.979 1.00 0.05 H HETATM 1817 H21 PHE A 2 10.087 13.867 -10.329 1.00 0.05 H HETATM 1818 H19 PHE A 2 10.405 16.663 -9.206 1.00 0.08 H HETATM 1819 H18 PHE A 2 12.141 16.696 -10.679 1.00 0.19 H HETATM 1820 CB PHE A 2 14.695 15.740 -11.422 1.00 0.08 C HETATM 1821 CG PHE A 2 15.279 14.962 -10.254 1.00 0.18 C HETATM 1822 OD1 PHE A 2 15.202 13.734 -10.197 1.00 -0.40 O HETATM 1823 ND2 PHE A 2 15.876 15.678 -9.316 1.00 -0.30 N HETATM 1824 H16 PHE A 2 16.280 15.224 -8.522 1.00 0.18 H HETATM 1825 H17 PHE A 2 15.923 16.673 -9.401 1.00 0.18 H HETATM 1826 H14 PHE A 2 14.397 16.736 -11.064 1.00 0.06 H HETATM 1827 H15 PHE A 2 15.471 15.845 -12.195 1.00 0.06 H HETATM 1828 H13 PHE A 2 13.797 14.126 -12.528 1.00 0.08 H HETATM 1829 H12 PHE A 2 12.258 16.654 -12.767 1.00 0.19 H HETATM 1830 CB PHE A 2 11.712 15.892 -16.405 1.00 0.04 C HETATM 1831 CG PHE A 2 10.812 16.695 -17.308 1.00 -0.04 C HETATM 1832 CD1 PHE A 2 9.502 16.961 -16.942 1.00 -0.06 C HETATM 1833 CE1 PHE A 2 8.674 17.699 -17.766 1.00 -0.07 C HETATM 1834 CZ PHE A 2 9.149 18.176 -18.972 1.00 -0.07 C HETATM 1835 CE2 PHE A 2 10.452 17.918 -19.349 1.00 -0.07 C HETATM 1836 CD2 PHE A 2 11.276 17.179 -18.522 1.00 -0.06 C HETATM 1837 H8 PHE A 2 12.296 16.975 -18.826 1.00 0.06 H HETATM 1838 H10 PHE A 2 10.828 18.295 -20.293 1.00 0.06 H HETATM 1839 H11 PHE A 2 8.500 18.752 -19.622 1.00 0.06 H HETATM 1840 H9 PHE A 2 7.652 17.903 -17.466 1.00 0.06 H HETATM 1841 H7 PHE A 2 9.123 16.586 -15.998 1.00 0.06 H HETATM 1842 H5 PHE A 2 11.113 15.094 -15.942 1.00 0.05 H HETATM 1843 H6 PHE A 2 12.507 15.444 -17.020 1.00 0.05 H HETATM 1844 H4 PHE A 2 11.584 17.226 -14.717 1.00 0.11 H HETATM 1845 H1 PHE A 2 12.779 18.335 -16.463 1.00 0.20 H HETATM 1846 H2 PHE A 2 14.025 17.265 -16.359 1.00 0.20 H HETATM 1847 H3 PHE A 2 13.690 18.264 -15.094 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 934 933 1655 CONECT 996 995 1655 CONECT 1012 1011 1655 CONECT 1093 1092 1655 CONECT 1655 934 996 1012 1093 CONECT 1656 1657 1845 1846 1847 CONECT 1657 1656 1658 1830 1844 CONECT 1658 1657 1659 1660 CONECT 1659 1658 CONECT 1660 1658 1661 1829 CONECT 1661 1660 1662 1820 1828 CONECT 1662 1661 1663 1664 CONECT 1663 1662 CONECT 1664 1662 1665 1819 CONECT 1665 1664 1666 1803 1818 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1802 CONECT 1669 1668 1670 1792 1801 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 1673 1791 CONECT 1673 1672 1674 1785 1790 CONECT 1674 1673 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 1784 CONECT 1677 1676 1678 1775 1783 CONECT 1678 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 1681 1774 CONECT 1681 1680 1682 1765 1773 CONECT 1682 1681 1683 1684 CONECT 1683 1682 CONECT 1684 1682 1685 1757 CONECT 1685 1684 1686 1755 1764 CONECT 1686 1685 1687 1688 CONECT 1687 1686 CONECT 1688 1686 1689 1754 CONECT 1689 1688 1690 1739 1753 CONECT 1690 1689 1691 1692 CONECT 1691 1690 CONECT 1692 1690 1693 1738 CONECT 1693 1692 1694 1729 1737 CONECT 1694 1693 1695 1696 CONECT 1695 1694 CONECT 1696 1694 1697 1728 CONECT 1697 1696 1698 1723 1727 CONECT 1698 1697 1699 1700 CONECT 1699 1698 CONECT 1700 1698 1701 1722 CONECT 1701 1700 1702 1705 1721 CONECT 1702 1701 1703 1704 CONECT 1703 1702 CONECT 1704 1702 CONECT 1705 1701 1706 1719 1720 CONECT 1706 1705 1707 1717 1718 CONECT 1707 1706 1708 1715 1716 CONECT 1708 1707 1709 1713 1714 CONECT 1709 1708 1710 1711 1712 CONECT 1710 1709 CONECT 1711 1709 CONECT 1712 1709 CONECT 1713 1708 CONECT 1714 1708 CONECT 1715 1707 CONECT 1716 1707 CONECT 1717 1706 CONECT 1718 1706 CONECT 1719 1705 CONECT 1720 1705 CONECT 1721 1701 CONECT 1722 1700 CONECT 1723 1697 1724 1725 1726 CONECT 1724 1723 CONECT 1725 1723 CONECT 1726 1723 CONECT 1727 1697 CONECT 1728 1696 CONECT 1729 1693 1730 1732 1736 CONECT 1730 1729 1731 CONECT 1731 1730 CONECT 1732 1729 1733 1734 1735 CONECT 1733 1732 CONECT 1734 1732 CONECT 1735 1732 CONECT 1736 1729 CONECT 1737 1693 CONECT 1738 1692 CONECT 1739 1689 1740 1751 1752 CONECT 1740 1739 1741 1745 CONECT 1741 1740 1742 1750 CONECT 1742 1741 1743 1749 CONECT 1743 1742 1744 1748 CONECT 1744 1743 1745 1747 CONECT 1745 1740 1744 1746 CONECT 1746 1745 CONECT 1747 1744 CONECT 1748 1743 CONECT 1749 1742 CONECT 1750 1741 CONECT 1751 1739 CONECT 1752 1739 CONECT 1753 1689 CONECT 1754 1688 CONECT 1755 1685 1756 1762 1763 CONECT 1756 1755 1757 1760 1761 CONECT 1757 1684 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1756 CONECT 1761 1756 CONECT 1762 1755 CONECT 1763 1755 CONECT 1764 1685 CONECT 1765 1681 1766 1771 1772 CONECT 1766 1765 1767 1768 CONECT 1767 1766 CONECT 1768 1766 1769 1770 CONECT 1769 1768 CONECT 1770 1768 CONECT 1771 1765 CONECT 1772 1765 CONECT 1773 1681 CONECT 1774 1680 CONECT 1775 1677 1776 1778 1782 CONECT 1776 1775 1777 CONECT 1777 1776 CONECT 1778 1775 1779 1780 1781 CONECT 1779 1778 CONECT 1780 1778 CONECT 1781 1778 CONECT 1782 1775 CONECT 1783 1677 CONECT 1784 1676 CONECT 1785 1673 1786 1788 1789 CONECT 1786 1785 1787 CONECT 1787 1786 CONECT 1788 1785 CONECT 1789 1785 CONECT 1790 1673 CONECT 1791 1672 CONECT 1792 1669 1793 1799 1800 CONECT 1793 1792 1794 1797 1798 CONECT 1794 1793 1795 1796 CONECT 1795 1794 CONECT 1796 1794 CONECT 1797 1793 CONECT 1798 1793 CONECT 1799 1792 CONECT 1800 1792 CONECT 1801 1669 CONECT 1802 1668 CONECT 1803 1665 1804 1816 1817 CONECT 1804 1803 1805 1809 CONECT 1805 1804 1806 1815 CONECT 1806 1805 1807 1814 CONECT 1807 1806 1808 1812 CONECT 1808 1807 1809 1811 CONECT 1809 1804 1808 1810 CONECT 1810 1809 CONECT 1811 1808 CONECT 1812 1807 1813 CONECT 1813 1812 CONECT 1814 1806 CONECT 1815 1805 CONECT 1816 1803 CONECT 1817 1803 CONECT 1818 1665 CONECT 1819 1664 CONECT 1820 1661 1821 1826 1827 CONECT 1821 1820 1822 1823 CONECT 1822 1821 CONECT 1823 1821 1824 1825 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1820 CONECT 1827 1820 CONECT 1828 1661 CONECT 1829 1660 CONECT 1830 1657 1831 1842 1843 CONECT 1831 1830 1832 1836 CONECT 1832 1831 1833 1841 CONECT 1833 1832 1834 1840 CONECT 1834 1833 1835 1839 CONECT 1835 1834 1836 1838 CONECT 1836 1831 1835 1837 CONECT 1837 1836 CONECT 1838 1835 CONECT 1839 1834 CONECT 1840 1833 CONECT 1841 1832 CONECT 1842 1830 CONECT 1843 1830 CONECT 1844 1657 CONECT 1845 1656 CONECT 1846 1656 CONECT 1847 1656 MASTER 0 0 0 0 0 0 0 0 1846 1 201 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 2kff
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1abt
RCSB PDB
PDBbind
12-mer
1br8
RCSB PDB
PDBbind
12-mer
1dkd
RCSB PDB
PDBbind
12-mer
1gwr
RCSB PDB
PDBbind
12-mer
1hgt
RCSB PDB
PDBbind
12-mer
1i8i
RCSB PDB
PDBbind
12-mer
1jpl
RCSB PDB
PDBbind
12-mer
1jyi
RCSB PDB
PDBbind
12-mer
1ka7
RCSB PDB
PDBbind
12-mer
1lf8
RCSB PDB
PDBbind
12-mer
1mq1
RCSB PDB
PDBbind
12-mer
1mwn
RCSB PDB
PDBbind
12-mer
1osg
RCSB PDB
PDBbind
12-mer
1qwe
RCSB PDB
PDBbind
12-mer
1qwf
RCSB PDB
PDBbind
12-mer
1shc
RCSB PDB
PDBbind
12-mer
1ujj
RCSB PDB
PDBbind
12-mer
1ujk
RCSB PDB
PDBbind
12-mer
1upk
RCSB PDB
PDBbind
12-mer
1w80
RCSB PDB
PDBbind
12-mer
1x8s
RCSB PDB
PDBbind
12-mer
1xb7
RCSB PDB
PDBbind
12-mer
1y98
RCSB PDB
PDBbind
12-mer
2a3i
RCSB PDB
PDBbind
12-mer
2byp
RCSB PDB
PDBbind
12-mer
2ci9
RCSB PDB
PDBbind
12-mer
2fx8
RCSB PDB
PDBbind
12-mer
2g6q
RCSB PDB
PDBbind
12-mer
2iv9
RCSB PDB
PDBbind
12-mer
2jbu
RCSB PDB
PDBbind
12-mer
2kfg
RCSB PDB
PDBbind
12-mer
2kfh
RCSB PDB
PDBbind
12-mer
2ltv
RCSB PDB
PDBbind
12-mer
2mow
RCSB PDB
PDBbind
12-mer
2mwp
RCSB PDB
PDBbind
12-mer
2ncz
RCSB PDB
PDBbind
12-mer
2nwn
RCSB PDB
PDBbind
12-mer
2ovq
RCSB PDB
PDBbind
12-mer
2pnx
RCSB PDB
PDBbind
12-mer
2pv2
RCSB PDB
PDBbind
12-mer
2pv3
RCSB PDB
PDBbind
12-mer
2qbx
RCSB PDB
PDBbind
12-mer
2qic
RCSB PDB
PDBbind
12-mer
2rol
RCSB PDB
PDBbind
12-mer
2v85
RCSB PDB
PDBbind
12-mer
2w10
RCSB PDB
PDBbind
12-mer
2w85
RCSB PDB
PDBbind
12-mer
2xzq
RCSB PDB
PDBbind
12-mer
2y06
RCSB PDB
PDBbind
12-mer
2y07
RCSB PDB
PDBbind
12-mer
2y1n
RCSB PDB
PDBbind
12-mer
2y36
RCSB PDB
PDBbind
12-mer
2ynr
RCSB PDB
PDBbind
12-mer
2yns
RCSB PDB
PDBbind
12-mer
3c6w
RCSB PDB
PDBbind
12-mer
3cs8
RCSB PDB
PDBbind
12-mer
3d32
RCSB PDB
PDBbind
12-mer
3dow
RCSB PDB
PDBbind
12-mer
3ds0
RCSB PDB
PDBbind
12-mer
3ds1
RCSB PDB
PDBbind
12-mer
3ds3
RCSB PDB
PDBbind
12-mer
3ds4
RCSB PDB
PDBbind
12-mer
3eqs
RCSB PDB
PDBbind
12-mer
3eqy
RCSB PDB
PDBbind
12-mer
3ggw
RCSB PDB
PDBbind
12-mer
3hs8
RCSB PDB
PDBbind
12-mer
3hs9
RCSB PDB
PDBbind
12-mer
3i5r
RCSB PDB
PDBbind
12-mer
3iqq
RCSB PDB
PDBbind
12-mer
3ivq
RCSB PDB
PDBbind
12-mer
3iwy
RCSB PDB
PDBbind
12-mer
3jzo
RCSB PDB
PDBbind
12-mer
3jzp
RCSB PDB
PDBbind
12-mer
3jzq
RCSB PDB
PDBbind
12-mer
3jzr
RCSB PDB
PDBbind
12-mer
3jzs
RCSB PDB
PDBbind
12-mer
3k26
RCSB PDB
PDBbind
12-mer
3l3x
RCSB PDB
PDBbind
12-mer
3l3z
RCSB PDB
PDBbind
12-mer
3lnj
RCSB PDB
PDBbind
12-mer
3lnz
RCSB PDB
PDBbind
12-mer
3mo8
RCSB PDB
PDBbind
12-mer
3ob1
RCSB PDB
PDBbind
12-mer
3ob2
RCSB PDB
PDBbind
12-mer
3poa
RCSB PDB
PDBbind
12-mer
3shb
RCSB PDB
PDBbind
12-mer
3sw9
RCSB PDB
PDBbind
12-mer
3tpx
RCSB PDB
PDBbind
12-mer
3tsz
RCSB PDB
PDBbind
12-mer
3u2q
RCSB PDB
PDBbind
12-mer
3ued
RCSB PDB
PDBbind
12-mer
3uef
RCSB PDB
PDBbind
12-mer
3ueo
RCSB PDB
PDBbind
12-mer
3uvw
RCSB PDB
PDBbind
12-mer
4a4c
RCSB PDB
PDBbind
12-mer
4b8p
RCSB PDB
PDBbind
12-mer
4ba3
RCSB PDB
PDBbind
12-mer
4cc2
RCSB PDB
PDBbind
12-mer
4cc3
RCSB PDB
PDBbind
12-mer
4cc7
RCSB PDB
PDBbind
12-mer
4dow
RCSB PDB
PDBbind
12-mer
4gao
RCSB PDB
PDBbind
12-mer
4gq6
RCSB PDB
PDBbind
12-mer
4gw1
RCSB PDB
PDBbind
12-mer
4gw5
RCSB PDB
PDBbind
12-mer
4hy9
RCSB PDB
PDBbind
12-mer
4j26
RCSB PDB
PDBbind
12-mer
4jfx
RCSB PDB
PDBbind
12-mer
4jfz
RCSB PDB
PDBbind
12-mer
4jg0
RCSB PDB
PDBbind
12-mer
4jg1
RCSB PDB
PDBbind
12-mer
4l58
RCSB PDB
PDBbind
12-mer
4qh7
RCSB PDB
PDBbind
12-mer
4rxz
RCSB PDB
PDBbind
12-mer
4twt
RCSB PDB
PDBbind
12-mer
4u7t
RCSB PDB
PDBbind
12-mer
4ux9
RCSB PDB
PDBbind
12-mer
4w50
RCSB PDB
PDBbind
12-mer
4wht
RCSB PDB
PDBbind
12-mer
4why
RCSB PDB
PDBbind
12-mer
4x8p
RCSB PDB
PDBbind
12-mer
4yhz
RCSB PDB
PDBbind
12-mer
4ym4
RCSB PDB
PDBbind
12-mer
4z2o
RCSB PDB
PDBbind
12-mer
4z2p
RCSB PDB
PDBbind
12-mer
4z68
RCSB PDB
PDBbind
12-mer
4znx
RCSB PDB
PDBbind
12-mer
5b56
RCSB PDB
PDBbind
12-mer
5d2a
RCSB PDB
PDBbind
12-mer
5eeq
RCSB PDB
PDBbind
12-mer
5esq
RCSB PDB
PDBbind
12-mer
5etu
RCSB PDB
PDBbind
12-mer
5euk
RCSB PDB
PDBbind
12-mer
5f88
RCSB PDB
PDBbind
12-mer
5ff6
RCSB PDB
PDBbind
12-mer
5ggp
RCSB PDB
PDBbind
12-mer
5gr9
RCSB PDB
PDBbind
12-mer
5huw
RCSB PDB
PDBbind
12-mer
5huy
RCSB PDB
PDBbind
12-mer
5hyq
RCSB PDB
PDBbind
12-mer
5i2i
RCSB PDB
PDBbind
12-mer
5icy
RCSB PDB
PDBbind
12-mer
5icz
RCSB PDB
PDBbind
12-mer
5id1
RCSB PDB
PDBbind
12-mer
5ih2
RCSB PDB
PDBbind
12-mer
5iop
RCSB PDB
PDBbind
12-mer
5ir1
RCSB PDB
PDBbind
12-mer
5itf
RCSB PDB
PDBbind
12-mer
5iv2
RCSB PDB
PDBbind
12-mer
5ivn
RCSB PDB
PDBbind
12-mer
5ivz
RCSB PDB
PDBbind
12-mer
5ixq
RCSB PDB
PDBbind
12-mer
5iyv
RCSB PDB
PDBbind
12-mer
5lgr
RCSB PDB
PDBbind
12-mer
5moc
RCSB PDB
PDBbind
12-mer
5n7x
RCSB PDB
PDBbind
12-mer
5n8j
RCSB PDB
PDBbind
12-mer
5t1k
RCSB PDB
PDBbind
12-mer
5t1l
RCSB PDB
PDBbind
12-mer
5t1m
RCSB PDB
PDBbind
12-mer
5tbn
RCSB PDB
PDBbind
12-mer
5th2
RCSB PDB
PDBbind
12-mer
5v1d
RCSB PDB
PDBbind
12-mer
5w4s
RCSB PDB
PDBbind
12-mer
5w5s
RCSB PDB
PDBbind
12-mer
5w5u
RCSB PDB
PDBbind
12-mer
5w6i
RCSB PDB
PDBbind
12-mer
5w6r
RCSB PDB
PDBbind
12-mer
5w6t
RCSB PDB
PDBbind
12-mer
5w6u
RCSB PDB
PDBbind
12-mer
5wle
RCSB PDB
PDBbind
12-mer
5wxf
RCSB PDB
PDBbind
12-mer
5wxo
RCSB PDB
PDBbind
12-mer
5xup
RCSB PDB
PDBbind
12-mer
5xwr
RCSB PDB
PDBbind
12-mer
5xxk
RCSB PDB
PDBbind
12-mer
5y1u
RCSB PDB
PDBbind
12-mer
5y59
RCSB PDB
PDBbind
12-mer
6bgg
RCSB PDB
PDBbind
12-mer
6e83
RCSB PDB
PDBbind
12-mer
6f7t
RCSB PDB
PDBbind
12-mer
6f8g
RCSB PDB
PDBbind
12-mer
6rr0
RCSB PDB
PDBbind
12-mer
6qtr
RCSB PDB
PDBbind
12-mer
6qto
RCSB PDB
PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
RCSB PDB
PDBbind
12-mer
6o3x
RCSB PDB
PDBbind
12-mer
6nk0
RCSB PDB
PDBbind
12-mer
6mm5
RCSB PDB
PDBbind
12-mer
6k5t
RCSB PDB
PDBbind
12-mer
6k5r
RCSB PDB
PDBbind
12-mer
6iam
RCSB PDB
PDBbind
12-mer
6hy2
RCSB PDB
PDBbind
12-mer
6byk
RCSB PDB
PDBbind
12-mer
6bw4
RCSB PDB
PDBbind
12-mer
6bw3
RCSB PDB
PDBbind
12-mer
6a8g
RCSB PDB
PDBbind
12-mer
5zop
RCSB PDB
PDBbind
12-mer
Entry Information
PDB ID
2kff
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EH domain-containing protein 1 C-terminal domain
Ligand Name
12-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=245uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Protein Sci. Vol. 18: pp. 2471-2479
Ligand Properties
Formula
C
6
5
H
9
3
N
1
5
O
2
1
Molecular Weight
1420.520
Exact Mass
1419.670
No. of atoms
194
No. of bonds
197
Polar Surface Area
608.29
LOGP Value
-7.09 (
Computed with XLOGP3
)
-3.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 18
No. of Hydrogen Bond Acceptors: 21
No. of Rotatable Bonds: 55
No. of Nitrogen and Oxygen Atoms: 36
No. of Rings: 4
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH3+])CC(=O)N)Cc1ccc(cc1)O)CCC(=O)O)CO)CC(=O)N)Cc1ccccc1)C
InChI String
InChI=1S/C65H91N15O21/c1-33(54(89)72-42(65(100)101)17-10-11-25-66)70-62(97)52(34(2)82)78-59(94)44(28-37-15-8-5-9-16-37)75-61(96)48-18-12-26-80(48)64(99)46(31-50(69)86)76-63(98)53(35(3)83)79-60(95)47(32-81)77-56(91)41(23-24-51(87)88)71-57(92)43(29-38-19-21-39(84)22-20-38)74-58(93)45(30-49(68)85)73-55(90)40(67)27-36-13-6-4-7-14-36/h4-9,13-16,19-22,33-35,40-48,52-53,81-84H,10-12,17-18,23-32,66-67H2,1-3H3,(H2,68,85)(H2,69,86)(H,70,97)(H,71,92)(H,72,89)(H,73,90)(H,74,93)(H,75,96)(H,76,98)(H,77,91)(H,78,94)(H,79,95)(H,87,88)(H,100,101)/p+2/t33-,34+,35+,40-,41-,42-,43-,44-,45-,46-,47-,48-,52-,53-/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):
Q9H4M9
Entrez Gene ID
NCBI Entrez Gene ID:
10938
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com