Browse entries in the PDBbind-CN Database
HEADER 2KFH_COMPLEX COMPND 2KFH_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 107 185 ATOM 1 N GLY A 35 -31.648 2.270 10.847 1.00 10.97 N ATOM 2 CA GLY A 35 -30.245 2.149 10.384 1.00 10.19 C ATOM 3 C GLY A 35 -30.169 1.924 8.890 1.00 9.10 C ATOM 4 O GLY A 35 -31.200 1.734 8.246 1.00 8.96 O ATOM 5 HA3 GLY A 35 -29.776 1.307 10.893 1.00 0.00 H ATOM 6 HA2 GLY A 35 -29.710 3.066 10.632 1.00 0.00 H ATOM 7 HN3 GLY A 35 -32.163 1.396 10.619 1.00 0.00 H ATOM 8 HN2 GLY A 35 -32.101 3.075 10.370 1.00 0.00 H ATOM 9 HN1 GLY A 35 -31.660 2.423 11.876 1.00 0.00 H ATOM 10 N PRO A 36 -28.965 1.940 8.306 1.00 8.54 N ATOM 11 CA PRO A 36 -28.768 1.721 6.884 1.00 7.65 C ATOM 12 C PRO A 36 -28.610 0.240 6.547 1.00 6.89 C ATOM 13 O PRO A 36 -27.642 -0.403 6.957 1.00 7.16 O ATOM 14 CB PRO A 36 -27.465 2.477 6.581 1.00 7.68 C ATOM 15 CG PRO A 36 -26.870 2.852 7.911 1.00 8.48 C ATOM 16 CD PRO A 36 -27.687 2.171 8.978 1.00 9.00 C ATOM 17 HA PRO A 36 -29.621 2.063 6.297 1.00 0.00 H ATOM 18 HD3 PRO A 36 -27.228 1.231 9.285 1.00 0.00 H ATOM 19 HD2 PRO A 36 -27.811 2.814 9.849 1.00 0.00 H ATOM 20 HG3 PRO A 36 -26.908 3.933 8.045 1.00 0.00 H ATOM 21 HG2 PRO A 36 -25.834 2.517 7.964 1.00 0.00 H ATOM 22 HB2 PRO A 36 -26.778 1.837 6.028 1.00 0.00 H ATOM 23 HB3 PRO A 36 -27.676 3.373 5.996 1.00 0.00 H ATOM 24 N LEU A 37 -29.577 -0.300 5.820 1.00 6.26 N ATOM 25 CA LEU A 37 -29.512 -1.689 5.381 1.00 5.84 C ATOM 26 C LEU A 37 -28.869 -1.763 4.001 1.00 5.04 C ATOM 27 O LEU A 37 -27.946 -2.552 3.774 1.00 5.27 O ATOM 28 CB LEU A 37 -30.908 -2.339 5.343 1.00 6.34 C ATOM 29 CG LEU A 37 -31.605 -2.550 6.699 1.00 6.76 C ATOM 30 CD1 LEU A 37 -30.656 -3.181 7.704 1.00 7.27 C ATOM 31 CD2 LEU A 37 -32.173 -1.248 7.243 1.00 7.42 C ATOM 32 HA LEU A 37 -28.907 -2.240 6.101 1.00 0.00 H ATOM 33 HB2 LEU A 37 -31.552 -1.705 4.734 1.00 0.00 H ATOM 34 HB3 LEU A 37 -30.806 -3.314 4.867 1.00 0.00 H ATOM 35 HG LEU A 37 -32.438 -3.234 6.536 1.00 0.00 H ATOM 36 HD21 LEU A 37 -31.365 -0.529 7.378 1.00 0.00 H ATOM 37 HD22 LEU A 37 -32.902 -0.849 6.538 1.00 0.00 H ATOM 38 HD23 LEU A 37 -32.657 -1.437 8.201 1.00 0.00 H ATOM 39 HD11 LEU A 37 -30.320 -4.147 7.328 1.00 0.00 H ATOM 40 HD12 LEU A 37 -29.796 -2.528 7.849 1.00 0.00 H ATOM 41 HD13 LEU A 37 -31.173 -3.319 8.653 1.00 0.00 H ATOM 42 H LEU A 37 -30.400 0.279 5.557 1.00 0.00 H ATOM 43 N GLY A 38 -29.343 -0.920 3.092 1.00 4.46 N ATOM 44 CA GLY A 38 -28.796 -0.882 1.751 1.00 3.99 C ATOM 45 C GLY A 38 -27.570 0.002 1.670 1.00 3.17 C ATOM 46 O GLY A 38 -27.554 0.998 0.943 1.00 3.12 O ATOM 47 HA3 GLY A 38 -29.555 -0.496 1.071 1.00 0.00 H ATOM 48 HA2 GLY A 38 -28.522 -1.894 1.452 1.00 0.00 H ATOM 49 H GLY A 38 -30.119 -0.277 3.346 1.00 0.00 H ATOM 50 N SER A 39 -26.551 -0.359 2.431 1.00 3.10 N ATOM 51 CA SER A 39 -25.308 0.388 2.453 1.00 2.87 C ATOM 52 C SER A 39 -24.381 -0.097 1.348 1.00 2.54 C ATOM 53 O SER A 39 -23.949 -1.251 1.357 1.00 2.63 O ATOM 54 CB SER A 39 -24.619 0.222 3.809 1.00 3.26 C ATOM 55 OG SER A 39 -25.539 0.387 4.877 1.00 3.97 O ATOM 56 HA SER A 39 -25.534 1.442 2.291 1.00 0.00 H ATOM 57 HB2 SER A 39 -23.830 0.968 3.901 1.00 0.00 H ATOM 58 HB3 SER A 39 -24.183 -0.775 3.866 1.00 0.00 H ATOM 59 HG SER A 39 -26.256 -0.292 4.802 1.00 0.00 H ATOM 60 H SER A 39 -26.643 -1.203 3.031 1.00 0.00 H ATOM 61 N ASP A 40 -24.086 0.769 0.389 1.00 2.38 N ATOM 62 CA ASP A 40 -23.138 0.427 -0.661 1.00 2.24 C ATOM 63 C ASP A 40 -21.717 0.511 -0.134 1.00 1.92 C ATOM 64 O ASP A 40 -21.101 1.575 -0.124 1.00 1.94 O ATOM 65 CB ASP A 40 -23.298 1.332 -1.884 1.00 2.59 C ATOM 66 CG ASP A 40 -24.522 0.989 -2.706 1.00 2.94 C ATOM 67 OD1 ASP A 40 -24.470 0.017 -3.489 1.00 3.15 O ATOM 68 OD2 ASP A 40 -25.547 1.691 -2.576 1.00 3.46 O ATOM 69 HA ASP A 40 -23.347 -0.596 -0.973 1.00 0.00 H ATOM 70 HB2 ASP A 40 -23.382 2.365 -1.546 1.00 0.00 H ATOM 71 HB3 ASP A 40 -22.414 1.228 -2.513 1.00 0.00 H ATOM 72 H ASP A 40 -24.538 1.706 0.387 1.00 0.00 H ATOM 73 N ASP A 41 -21.215 -0.621 0.331 1.00 1.79 N ATOM 74 CA ASP A 41 -19.868 -0.703 0.866 1.00 1.55 C ATOM 75 C ASP A 41 -19.113 -1.804 0.137 1.00 1.46 C ATOM 76 O ASP A 41 -19.393 -2.989 0.331 1.00 1.73 O ATOM 77 CB ASP A 41 -19.909 -0.993 2.368 1.00 1.57 C ATOM 78 CG ASP A 41 -18.628 -0.607 3.078 1.00 1.41 C ATOM 79 OD1 ASP A 41 -17.611 -1.316 2.933 1.00 1.44 O ATOM 80 OD2 ASP A 41 -18.632 0.421 3.787 1.00 1.93 O ATOM 81 HA ASP A 41 -19.359 0.249 0.717 1.00 0.00 H ATOM 82 HB2 ASP A 41 -20.734 -0.432 2.808 1.00 0.00 H ATOM 83 HB3 ASP A 41 -20.079 -2.060 2.512 1.00 0.00 H ATOM 84 H ASP A 41 -21.803 -1.478 0.313 1.00 0.00 H ATOM 85 N VAL A 42 -18.189 -1.418 -0.727 1.00 1.22 N ATOM 86 CA VAL A 42 -17.484 -2.380 -1.556 1.00 1.13 C ATOM 87 C VAL A 42 -16.401 -3.109 -0.756 1.00 1.01 C ATOM 88 O VAL A 42 -15.677 -2.498 0.038 1.00 0.98 O ATOM 89 CB VAL A 42 -16.881 -1.710 -2.815 1.00 1.13 C ATOM 90 CG1 VAL A 42 -15.827 -0.676 -2.450 1.00 1.85 C ATOM 91 CG2 VAL A 42 -16.312 -2.750 -3.762 1.00 1.59 C ATOM 92 HA VAL A 42 -18.213 -3.118 -1.890 1.00 0.00 H ATOM 93 HB VAL A 42 -17.690 -1.188 -3.326 1.00 0.00 H ATOM 94 HG11 VAL A 42 -16.279 0.099 -1.831 1.00 0.00 H ATOM 95 HG12 VAL A 42 -15.021 -1.160 -1.898 1.00 0.00 H ATOM 96 HG13 VAL A 42 -15.428 -0.229 -3.360 1.00 0.00 H ATOM 97 HG21 VAL A 42 -15.528 -3.312 -3.254 1.00 0.00 H ATOM 98 HG22 VAL A 42 -17.105 -3.430 -4.072 1.00 0.00 H ATOM 99 HG23 VAL A 42 -15.895 -2.253 -4.638 1.00 0.00 H ATOM 100 H VAL A 42 -17.963 -0.407 -0.814 1.00 0.00 H ATOM 101 N GLU A 43 -16.320 -4.419 -0.968 1.00 1.02 N ATOM 102 CA GLU A 43 -15.383 -5.271 -0.254 1.00 0.97 C ATOM 103 C GLU A 43 -13.944 -4.944 -0.634 1.00 0.80 C ATOM 104 O GLU A 43 -13.599 -4.868 -1.813 1.00 0.79 O ATOM 105 CB GLU A 43 -15.704 -6.739 -0.555 1.00 1.17 C ATOM 106 CG GLU A 43 -14.788 -7.736 0.140 1.00 1.78 C ATOM 107 CD GLU A 43 -15.262 -9.164 -0.029 1.00 2.27 C ATOM 108 OE1 GLU A 43 -14.891 -9.814 -1.027 1.00 3.10 O ATOM 109 OE2 GLU A 43 -16.010 -9.647 0.844 1.00 2.15 O ATOM 110 HA GLU A 43 -15.486 -5.091 0.816 1.00 0.00 H ATOM 111 HB2 GLU A 43 -16.728 -6.937 -0.237 1.00 0.00 H ATOM 112 HB3 GLU A 43 -15.623 -6.893 -1.631 1.00 0.00 H ATOM 113 HG2 GLU A 43 -13.787 -7.646 -0.282 1.00 0.00 H ATOM 114 HG3 GLU A 43 -14.755 -7.500 1.204 1.00 0.00 H ATOM 115 H GLU A 43 -16.952 -4.851 -1.672 1.00 0.00 H ATOM 116 N TRP A 44 -13.112 -4.729 0.374 1.00 0.71 N ATOM 117 CA TRP A 44 -11.707 -4.449 0.149 1.00 0.60 C ATOM 118 C TRP A 44 -10.958 -5.760 -0.057 1.00 0.60 C ATOM 119 O TRP A 44 -10.721 -6.514 0.888 1.00 0.64 O ATOM 120 CB TRP A 44 -11.118 -3.665 1.323 1.00 0.57 C ATOM 121 CG TRP A 44 -9.822 -2.983 0.999 1.00 0.48 C ATOM 122 CD1 TRP A 44 -9.463 -2.437 -0.198 1.00 0.50 C ATOM 123 CD2 TRP A 44 -8.726 -2.743 1.892 1.00 0.44 C ATOM 124 NE1 TRP A 44 -8.208 -1.891 -0.109 1.00 0.46 N ATOM 125 CE2 TRP A 44 -7.734 -2.063 1.159 1.00 0.41 C ATOM 126 CE3 TRP A 44 -8.480 -3.046 3.231 1.00 0.48 C ATOM 127 CZ2 TRP A 44 -6.524 -1.671 1.727 1.00 0.41 C ATOM 128 CZ3 TRP A 44 -7.280 -2.656 3.794 1.00 0.49 C ATOM 129 CH2 TRP A 44 -6.312 -1.976 3.042 1.00 0.44 C ATOM 130 HA TRP A 44 -11.602 -3.835 -0.745 1.00 0.00 H ATOM 131 HB2 TRP A 44 -11.840 -2.907 1.629 1.00 0.00 H ATOM 132 HB3 TRP A 44 -10.947 -4.356 2.148 1.00 0.00 H ATOM 133 HE1 TRP A 44 -7.699 -1.421 -0.884 1.00 0.00 H ATOM 134 HD1 TRP A 44 -10.083 -2.435 -1.095 1.00 0.00 H ATOM 135 HZ2 TRP A 44 -5.773 -1.140 1.143 1.00 0.00 H ATOM 136 HH2 TRP A 44 -5.374 -1.685 3.515 1.00 0.00 H ATOM 137 HZ3 TRP A 44 -7.082 -2.881 4.842 1.00 0.00 H ATOM 138 HE3 TRP A 44 -9.222 -3.581 3.823 1.00 0.00 H ATOM 139 H TRP A 44 -13.474 -4.762 1.348 1.00 0.00 H ATOM 140 N VAL A 45 -10.590 -6.018 -1.302 1.00 0.61 N ATOM 141 CA VAL A 45 -10.021 -7.304 -1.704 1.00 0.64 C ATOM 142 C VAL A 45 -8.631 -7.544 -1.088 1.00 0.57 C ATOM 143 O VAL A 45 -8.063 -8.631 -1.202 1.00 0.69 O ATOM 144 CB VAL A 45 -9.947 -7.382 -3.245 1.00 0.72 C ATOM 145 CG1 VAL A 45 -8.872 -6.460 -3.791 1.00 1.45 C ATOM 146 CG2 VAL A 45 -9.730 -8.809 -3.713 1.00 1.28 C ATOM 147 HA VAL A 45 -10.677 -8.089 -1.328 1.00 0.00 H ATOM 148 HB VAL A 45 -10.906 -7.045 -3.638 1.00 0.00 H ATOM 149 HG11 VAL A 45 -9.097 -5.433 -3.505 1.00 0.00 H ATOM 150 HG12 VAL A 45 -7.904 -6.749 -3.381 1.00 0.00 H ATOM 151 HG13 VAL A 45 -8.846 -6.538 -4.878 1.00 0.00 H ATOM 152 HG21 VAL A 45 -8.795 -9.187 -3.300 1.00 0.00 H ATOM 153 HG22 VAL A 45 -10.557 -9.432 -3.372 1.00 0.00 H ATOM 154 HG23 VAL A 45 -9.682 -8.830 -4.802 1.00 0.00 H ATOM 155 H VAL A 45 -10.710 -5.278 -2.022 1.00 0.00 H ATOM 156 N VAL A 46 -8.094 -6.533 -0.424 1.00 0.46 N ATOM 157 CA VAL A 46 -6.797 -6.651 0.233 1.00 0.42 C ATOM 158 C VAL A 46 -6.936 -7.349 1.583 1.00 0.38 C ATOM 159 O VAL A 46 -6.000 -7.993 2.058 1.00 0.41 O ATOM 160 CB VAL A 46 -6.146 -5.266 0.422 1.00 0.46 C ATOM 161 CG1 VAL A 46 -4.787 -5.384 1.092 1.00 0.54 C ATOM 162 CG2 VAL A 46 -6.021 -4.558 -0.918 1.00 1.10 C ATOM 163 HA VAL A 46 -6.154 -7.253 -0.409 1.00 0.00 H ATOM 164 HB VAL A 46 -6.788 -4.675 1.074 1.00 0.00 H ATOM 165 HG11 VAL A 46 -4.905 -5.850 2.070 1.00 0.00 H ATOM 166 HG12 VAL A 46 -4.130 -5.996 0.474 1.00 0.00 H ATOM 167 HG13 VAL A 46 -4.354 -4.391 1.211 1.00 0.00 H ATOM 168 HG21 VAL A 46 -5.402 -5.156 -1.587 1.00 0.00 H ATOM 169 HG22 VAL A 46 -7.012 -4.431 -1.354 1.00 0.00 H ATOM 170 HG23 VAL A 46 -5.560 -3.582 -0.770 1.00 0.00 H ATOM 171 H VAL A 46 -8.610 -5.632 -0.369 1.00 0.00 H ATOM 172 N GLY A 47 -8.128 -7.268 2.164 1.00 0.40 N ATOM 173 CA GLY A 47 -8.345 -7.809 3.496 1.00 0.47 C ATOM 174 C GLY A 47 -8.408 -9.326 3.523 1.00 0.49 C ATOM 175 O GLY A 47 -8.401 -9.928 4.595 1.00 0.59 O ATOM 176 HA3 GLY A 47 -9.286 -7.416 3.881 1.00 0.00 H ATOM 177 HA2 GLY A 47 -7.527 -7.484 4.139 1.00 0.00 H ATOM 178 H GLY A 47 -8.915 -6.812 1.660 1.00 0.00 H ATOM 179 N LYS A 48 -8.451 -9.952 2.351 1.00 0.49 N ATOM 180 CA LYS A 48 -8.586 -11.406 2.273 1.00 0.61 C ATOM 181 C LYS A 48 -7.280 -12.102 2.648 1.00 0.60 C ATOM 182 O LYS A 48 -7.285 -13.236 3.130 1.00 0.73 O ATOM 183 CB LYS A 48 -9.008 -11.845 0.869 1.00 0.72 C ATOM 184 CG LYS A 48 -7.979 -11.528 -0.205 1.00 0.74 C ATOM 185 CD LYS A 48 -8.218 -12.338 -1.466 1.00 0.96 C ATOM 186 CE LYS A 48 -8.112 -13.827 -1.189 1.00 1.82 C ATOM 187 NZ LYS A 48 -8.140 -14.630 -2.439 1.00 2.46 N ATOM 188 HA LYS A 48 -9.359 -11.695 2.985 1.00 0.00 H ATOM 189 HB2 LYS A 48 -9.174 -12.922 0.880 1.00 0.00 H ATOM 190 HB3 LYS A 48 -9.939 -11.338 0.615 1.00 0.00 H ATOM 191 HG2 LYS A 48 -8.038 -10.467 -0.449 1.00 0.00 H ATOM 192 HG3 LYS A 48 -6.985 -11.756 0.179 1.00 0.00 H ATOM 193 HD2 LYS A 48 -9.215 -12.117 -1.848 1.00 0.00 H ATOM 194 HD3 LYS A 48 -7.474 -12.061 -2.213 1.00 0.00 H ATOM 195 HE2 LYS A 48 -8.948 -14.128 -0.558 1.00 0.00 H ATOM 196 HE3 LYS A 48 -7.176 -14.022 -0.666 1.00 0.00 H ATOM 197 HZ1 LYS A 48 -9.034 -14.456 -2.942 1.00 0.00 H ATOM 198 HZ2 LYS A 48 -7.341 -14.354 -3.045 1.00 0.00 H ATOM 199 HZ3 LYS A 48 -8.065 -15.640 -2.203 1.00 0.00 H ATOM 200 H LYS A 48 -8.387 -9.397 1.473 1.00 0.00 H ATOM 201 N ASP A 49 -6.159 -11.428 2.426 1.00 0.48 N ATOM 202 CA ASP A 49 -4.860 -12.010 2.744 1.00 0.50 C ATOM 203 C ASP A 49 -4.095 -11.070 3.659 1.00 0.44 C ATOM 204 O ASP A 49 -2.865 -11.026 3.656 1.00 0.45 O ATOM 205 CB ASP A 49 -4.065 -12.255 1.459 1.00 0.60 C ATOM 206 CG ASP A 49 -2.907 -13.214 1.654 1.00 1.16 C ATOM 207 OD1 ASP A 49 -2.915 -13.960 2.662 1.00 1.52 O ATOM 208 OD2 ASP A 49 -1.972 -13.205 0.824 1.00 1.66 O ATOM 209 HA ASP A 49 -5.007 -12.964 3.250 1.00 0.00 H ATOM 210 HB2 ASP A 49 -4.737 -12.670 0.708 1.00 0.00 H ATOM 211 HB3 ASP A 49 -3.672 -11.302 1.106 1.00 0.00 H ATOM 212 H ASP A 49 -6.207 -10.472 2.020 1.00 0.00 H ATOM 213 N LYS A 50 -4.834 -10.374 4.505 1.00 0.43 N ATOM 214 CA LYS A 50 -4.242 -9.369 5.368 1.00 0.49 C ATOM 215 C LYS A 50 -3.419 -9.995 6.501 1.00 0.45 C ATOM 216 O LYS A 50 -2.333 -9.511 6.778 1.00 0.45 O ATOM 217 CB LYS A 50 -5.296 -8.423 5.943 1.00 0.70 C ATOM 218 CG LYS A 50 -4.700 -7.087 6.346 1.00 0.72 C ATOM 219 CD LYS A 50 -5.623 -6.280 7.243 1.00 0.90 C ATOM 220 CE LYS A 50 -4.877 -5.114 7.871 1.00 1.01 C ATOM 221 NZ LYS A 50 -5.734 -4.309 8.782 1.00 1.15 N ATOM 222 HA LYS A 50 -3.566 -8.788 4.741 1.00 0.00 H ATOM 223 HB2 LYS A 50 -6.065 -8.253 5.190 1.00 0.00 H ATOM 224 HB3 LYS A 50 -5.745 -8.888 6.821 1.00 0.00 H ATOM 225 HG2 LYS A 50 -3.766 -7.268 6.878 1.00 0.00 H ATOM 226 HG3 LYS A 50 -4.497 -6.509 5.444 1.00 0.00 H ATOM 227 HD2 LYS A 50 -6.453 -5.896 6.650 1.00 0.00 H ATOM 228 HD3 LYS A 50 -6.009 -6.925 8.032 1.00 0.00 H ATOM 229 HE2 LYS A 50 -4.508 -4.466 7.076 1.00 0.00 H ATOM 230 HE3 LYS A 50 -4.033 -5.505 8.440 1.00 0.00 H ATOM 231 HZ1 LYS A 50 -6.539 -3.923 8.248 1.00 0.00 H ATOM 232 HZ2 LYS A 50 -6.085 -4.915 9.551 1.00 0.00 H ATOM 233 HZ3 LYS A 50 -5.175 -3.528 9.182 1.00 0.00 H ATOM 234 H LYS A 50 -5.858 -10.550 4.553 1.00 0.00 H ATOM 235 N PRO A 51 -3.911 -11.062 7.183 1.00 0.49 N ATOM 236 CA PRO A 51 -3.153 -11.765 8.237 1.00 0.58 C ATOM 237 C PRO A 51 -1.703 -12.058 7.843 1.00 0.46 C ATOM 238 O PRO A 51 -0.788 -11.962 8.665 1.00 0.47 O ATOM 239 CB PRO A 51 -3.921 -13.084 8.422 1.00 0.69 C ATOM 240 CG PRO A 51 -4.992 -13.094 7.376 1.00 0.75 C ATOM 241 CD PRO A 51 -5.245 -11.659 7.028 1.00 0.55 C ATOM 242 HA PRO A 51 -3.083 -11.157 9.139 1.00 0.00 H ATOM 243 HD3 PRO A 51 -5.607 -11.558 6.005 1.00 0.00 H ATOM 244 HD2 PRO A 51 -5.963 -11.207 7.712 1.00 0.00 H ATOM 245 HG3 PRO A 51 -5.899 -13.555 7.767 1.00 0.00 H ATOM 246 HG2 PRO A 51 -4.657 -13.644 6.496 1.00 0.00 H ATOM 247 HB2 PRO A 51 -3.252 -13.934 8.286 1.00 0.00 H ATOM 248 HB3 PRO A 51 -4.364 -13.127 9.417 1.00 0.00 H ATOM 249 N THR A 52 -1.498 -12.386 6.577 1.00 0.38 N ATOM 250 CA THR A 52 -0.169 -12.700 6.074 1.00 0.36 C ATOM 251 C THR A 52 0.707 -11.446 6.070 1.00 0.26 C ATOM 252 O THR A 52 1.836 -11.450 6.581 1.00 0.28 O ATOM 253 CB THR A 52 -0.260 -13.263 4.639 1.00 0.42 C ATOM 254 OG1 THR A 52 -1.220 -14.329 4.594 1.00 0.68 O ATOM 255 CG2 THR A 52 1.094 -13.773 4.164 1.00 0.66 C ATOM 256 HA THR A 52 0.277 -13.449 6.728 1.00 0.00 H ATOM 257 HB THR A 52 -0.576 -12.457 3.977 1.00 0.00 H ATOM 258 HG1 THR A 52 -1.273 -14.685 3.672 1.00 0.00 H ATOM 259 HG23 THR A 52 1.820 -12.961 4.200 1.00 0.00 H ATOM 260 HG21 THR A 52 1.423 -14.585 4.813 1.00 0.00 H ATOM 261 HG22 THR A 52 1.005 -14.138 3.141 1.00 0.00 H ATOM 262 H THR A 52 -2.308 -12.420 5.925 1.00 0.00 H ATOM 263 N TYR A 53 0.152 -10.355 5.564 1.00 0.22 N ATOM 264 CA TYR A 53 0.887 -9.104 5.470 1.00 0.23 C ATOM 265 C TYR A 53 0.990 -8.474 6.848 1.00 0.23 C ATOM 266 O TYR A 53 1.858 -7.652 7.104 1.00 0.24 O ATOM 267 CB TYR A 53 0.201 -8.150 4.486 1.00 0.33 C ATOM 268 CG TYR A 53 -0.234 -8.824 3.205 1.00 0.39 C ATOM 269 CD1 TYR A 53 0.559 -9.798 2.608 1.00 0.41 C ATOM 270 CD2 TYR A 53 -1.442 -8.504 2.599 1.00 0.53 C ATOM 271 CE1 TYR A 53 0.158 -10.437 1.452 1.00 0.49 C ATOM 272 CE2 TYR A 53 -1.846 -9.135 1.440 1.00 0.62 C ATOM 273 CZ TYR A 53 -1.045 -10.101 0.874 1.00 0.57 C ATOM 274 OH TYR A 53 -1.455 -10.742 -0.269 1.00 0.69 O ATOM 275 HA TYR A 53 1.891 -9.305 5.096 1.00 0.00 H ATOM 276 HB3 TYR A 53 0.898 -7.350 4.237 1.00 0.00 H ATOM 277 HB2 TYR A 53 -0.679 -7.726 4.971 1.00 0.00 H ATOM 278 HD2 TYR A 53 -2.081 -7.742 3.046 1.00 0.00 H ATOM 279 HE2 TYR A 53 -2.795 -8.870 0.975 1.00 0.00 H ATOM 280 HE1 TYR A 53 0.789 -11.202 1.000 1.00 0.00 H ATOM 281 HD1 TYR A 53 1.515 -10.062 3.061 1.00 0.00 H ATOM 282 HH TYR A 53 -1.580 -10.077 -0.992 1.00 0.00 H ATOM 283 H TYR A 53 -0.831 -10.394 5.227 1.00 0.00 H ATOM 284 N ASP A 54 0.097 -8.896 7.736 1.00 0.28 N ATOM 285 CA ASP A 54 0.119 -8.474 9.128 1.00 0.35 C ATOM 286 C ASP A 54 1.351 -9.034 9.823 1.00 0.33 C ATOM 287 O ASP A 54 2.065 -8.315 10.522 1.00 0.35 O ATOM 288 CB ASP A 54 -1.150 -8.956 9.837 1.00 0.51 C ATOM 289 CG ASP A 54 -1.136 -8.696 11.331 1.00 1.35 C ATOM 290 OD1 ASP A 54 -0.607 -9.543 12.076 1.00 2.18 O ATOM 291 OD2 ASP A 54 -1.638 -7.635 11.759 1.00 1.83 O ATOM 292 HA ASP A 54 0.157 -7.385 9.169 1.00 0.00 H ATOM 293 HB2 ASP A 54 -2.007 -8.440 9.403 1.00 0.00 H ATOM 294 HB3 ASP A 54 -1.253 -10.029 9.673 1.00 0.00 H ATOM 295 H ASP A 54 -0.646 -9.553 7.424 1.00 0.00 H ATOM 296 N GLU A 55 1.624 -10.312 9.593 1.00 0.35 N ATOM 297 CA GLU A 55 2.794 -10.941 10.185 1.00 0.43 C ATOM 298 C GLU A 55 4.070 -10.357 9.598 1.00 0.38 C ATOM 299 O GLU A 55 5.106 -10.308 10.261 1.00 0.46 O ATOM 300 CB GLU A 55 2.768 -12.455 9.996 1.00 0.54 C ATOM 301 CG GLU A 55 1.616 -13.131 10.721 1.00 1.31 C ATOM 302 CD GLU A 55 1.823 -14.619 10.885 1.00 1.54 C ATOM 303 OE1 GLU A 55 2.449 -15.028 11.889 1.00 2.33 O ATOM 304 OE2 GLU A 55 1.366 -15.393 10.020 1.00 1.65 O ATOM 305 HA GLU A 55 2.774 -10.736 11.255 1.00 0.00 H ATOM 306 HB2 GLU A 55 2.681 -12.670 8.931 1.00 0.00 H ATOM 307 HB3 GLU A 55 3.704 -12.867 10.373 1.00 0.00 H ATOM 308 HG2 GLU A 55 1.514 -12.682 11.709 1.00 0.00 H ATOM 309 HG3 GLU A 55 0.701 -12.967 10.152 1.00 0.00 H ATOM 310 H GLU A 55 0.994 -10.870 8.982 1.00 0.00 H ATOM 311 N ILE A 56 3.990 -9.907 8.356 1.00 0.32 N ATOM 312 CA ILE A 56 5.125 -9.243 7.721 1.00 0.35 C ATOM 313 C ILE A 56 5.235 -7.787 8.198 1.00 0.32 C ATOM 314 O ILE A 56 6.323 -7.221 8.281 1.00 0.45 O ATOM 315 CB ILE A 56 5.002 -9.304 6.185 1.00 0.39 C ATOM 316 CG1 ILE A 56 4.887 -10.763 5.751 1.00 0.45 C ATOM 317 CG2 ILE A 56 6.194 -8.629 5.514 1.00 0.45 C ATOM 318 CD1 ILE A 56 4.365 -10.940 4.347 1.00 0.64 C ATOM 319 HA ILE A 56 6.035 -9.768 8.011 1.00 0.00 H ATOM 320 HB ILE A 56 4.107 -8.764 5.875 1.00 0.00 H ATOM 321 HG12 ILE A 56 5.875 -11.219 5.811 1.00 0.00 H ATOM 322 HG13 ILE A 56 4.211 -11.274 6.437 1.00 0.00 H ATOM 323 HD11 ILE A 56 3.371 -10.500 4.272 1.00 0.00 H ATOM 324 HD12 ILE A 56 5.037 -10.445 3.646 1.00 0.00 H ATOM 325 HD13 ILE A 56 4.312 -12.003 4.112 1.00 0.00 H ATOM 326 HG21 ILE A 56 6.238 -7.584 5.821 1.00 0.00 H ATOM 327 HG22 ILE A 56 7.112 -9.135 5.812 1.00 0.00 H ATOM 328 HG23 ILE A 56 6.081 -8.687 4.431 1.00 0.00 H ATOM 329 H ILE A 56 3.105 -10.028 7.824 1.00 0.00 H ATOM 330 N PHE A 57 4.100 -7.203 8.540 1.00 0.20 N ATOM 331 CA PHE A 57 4.042 -5.832 9.038 1.00 0.19 C ATOM 332 C PHE A 57 4.627 -5.746 10.448 1.00 0.16 C ATOM 333 O PHE A 57 5.366 -4.814 10.776 1.00 0.15 O ATOM 334 CB PHE A 57 2.581 -5.365 9.040 1.00 0.21 C ATOM 335 CG PHE A 57 2.382 -3.918 9.391 1.00 0.21 C ATOM 336 CD1 PHE A 57 2.623 -2.926 8.457 1.00 0.26 C ATOM 337 CD2 PHE A 57 1.939 -3.550 10.650 1.00 0.22 C ATOM 338 CE1 PHE A 57 2.433 -1.594 8.772 1.00 0.29 C ATOM 339 CE2 PHE A 57 1.747 -2.219 10.972 1.00 0.25 C ATOM 340 CZ PHE A 57 1.996 -1.240 10.032 1.00 0.27 C ATOM 341 HA PHE A 57 4.633 -5.187 8.388 1.00 0.00 H ATOM 342 HB2 PHE A 57 2.170 -5.532 8.044 1.00 0.00 H ATOM 343 HB3 PHE A 57 2.033 -5.968 9.764 1.00 0.00 H ATOM 344 HD2 PHE A 57 1.739 -4.319 11.396 1.00 0.00 H ATOM 345 HE2 PHE A 57 1.399 -1.943 11.968 1.00 0.00 H ATOM 346 HZ PHE A 57 1.848 -0.190 10.284 1.00 0.00 H ATOM 347 HE1 PHE A 57 2.628 -0.824 8.026 1.00 0.00 H ATOM 348 HD1 PHE A 57 2.967 -3.199 7.459 1.00 0.00 H ATOM 349 H PHE A 57 3.214 -7.741 8.451 1.00 0.00 H ATOM 350 N TYR A 58 4.307 -6.737 11.270 1.00 0.19 N ATOM 351 CA TYR A 58 4.723 -6.743 12.668 1.00 0.22 C ATOM 352 C TYR A 58 6.182 -7.158 12.819 1.00 0.26 C ATOM 353 O TYR A 58 6.775 -6.989 13.882 1.00 0.39 O ATOM 354 CB TYR A 58 3.815 -7.662 13.490 1.00 0.26 C ATOM 355 CG TYR A 58 2.438 -7.091 13.760 1.00 0.40 C ATOM 356 CD1 TYR A 58 1.766 -6.343 12.802 1.00 1.07 C ATOM 357 CD2 TYR A 58 1.809 -7.310 14.977 1.00 1.04 C ATOM 358 CE1 TYR A 58 0.508 -5.829 13.045 1.00 1.17 C ATOM 359 CE2 TYR A 58 0.551 -6.800 15.233 1.00 1.17 C ATOM 360 CZ TYR A 58 -0.097 -6.060 14.264 1.00 0.83 C ATOM 361 OH TYR A 58 -1.353 -5.546 14.518 1.00 1.05 O ATOM 362 HA TYR A 58 4.630 -5.725 13.046 1.00 0.00 H ATOM 363 HB3 TYR A 58 4.299 -7.855 14.447 1.00 0.00 H ATOM 364 HB2 TYR A 58 3.697 -8.600 12.948 1.00 0.00 H ATOM 365 HD2 TYR A 58 2.316 -7.895 15.744 1.00 0.00 H ATOM 366 HE2 TYR A 58 0.072 -6.981 16.195 1.00 0.00 H ATOM 367 HE1 TYR A 58 -0.004 -5.245 12.280 1.00 0.00 H ATOM 368 HD1 TYR A 58 2.241 -6.158 11.839 1.00 0.00 H ATOM 369 HH TYR A 58 -1.670 -5.046 13.725 1.00 0.00 H ATOM 370 H TYR A 58 3.743 -7.532 10.907 1.00 0.00 H ATOM 371 N THR A 59 6.768 -7.684 11.755 1.00 0.25 N ATOM 372 CA THR A 59 8.164 -8.085 11.787 1.00 0.29 C ATOM 373 C THR A 59 9.071 -6.947 11.322 1.00 0.29 C ATOM 374 O THR A 59 10.294 -7.031 11.423 1.00 0.36 O ATOM 375 CB THR A 59 8.407 -9.341 10.929 1.00 0.35 C ATOM 376 OG1 THR A 59 7.660 -9.255 9.713 1.00 0.44 O ATOM 377 CG2 THR A 59 8.000 -10.599 11.678 1.00 0.38 C ATOM 378 HA THR A 59 8.409 -8.326 12.821 1.00 0.00 H ATOM 379 HB THR A 59 9.472 -9.395 10.705 1.00 0.00 H ATOM 380 HG1 THR A 59 6.695 -9.186 9.924 1.00 0.00 H ATOM 381 HG23 THR A 59 8.568 -10.668 12.606 1.00 0.00 H ATOM 382 HG21 THR A 59 6.935 -10.557 11.905 1.00 0.00 H ATOM 383 HG22 THR A 59 8.207 -11.472 11.059 1.00 0.00 H ATOM 384 H THR A 59 6.219 -7.812 10.881 1.00 0.00 H ATOM 385 N LEU A 60 8.455 -5.873 10.828 1.00 0.26 N ATOM 386 CA LEU A 60 9.196 -4.694 10.392 1.00 0.27 C ATOM 387 C LEU A 60 9.141 -3.603 11.459 1.00 0.30 C ATOM 388 O LEU A 60 9.531 -2.458 11.216 1.00 0.38 O ATOM 389 CB LEU A 60 8.638 -4.168 9.063 1.00 0.29 C ATOM 390 CG LEU A 60 8.775 -5.129 7.875 1.00 0.31 C ATOM 391 CD1 LEU A 60 8.188 -4.511 6.621 1.00 1.37 C ATOM 392 CD2 LEU A 60 10.231 -5.512 7.652 1.00 1.22 C ATOM 393 HA LEU A 60 10.237 -4.980 10.241 1.00 0.00 H ATOM 394 HB2 LEU A 60 7.579 -3.952 9.203 1.00 0.00 H ATOM 395 HB3 LEU A 60 9.166 -3.247 8.816 1.00 0.00 H ATOM 396 HG LEU A 60 8.218 -6.037 8.106 1.00 0.00 H ATOM 397 HD21 LEU A 60 10.814 -4.614 7.447 1.00 0.00 H ATOM 398 HD22 LEU A 60 10.618 -6.001 8.546 1.00 0.00 H ATOM 399 HD23 LEU A 60 10.300 -6.194 6.804 1.00 0.00 H ATOM 400 HD11 LEU A 60 7.132 -4.296 6.783 1.00 0.00 H ATOM 401 HD12 LEU A 60 8.717 -3.586 6.392 1.00 0.00 H ATOM 402 HD13 LEU A 60 8.295 -5.208 5.790 1.00 0.00 H ATOM 403 H LEU A 60 7.418 -5.875 10.751 1.00 0.00 H ATOM 404 N SER A 61 8.664 -3.986 12.643 1.00 0.27 N ATOM 405 CA SER A 61 8.571 -3.086 13.793 1.00 0.30 C ATOM 406 C SER A 61 7.569 -1.955 13.550 1.00 0.28 C ATOM 407 O SER A 61 7.937 -0.863 13.116 1.00 0.36 O ATOM 408 CB SER A 61 9.951 -2.516 14.143 1.00 0.41 C ATOM 409 OG SER A 61 10.887 -3.559 14.361 1.00 1.24 O ATOM 410 HA SER A 61 8.207 -3.671 14.638 1.00 0.00 H ATOM 411 HB2 SER A 61 9.870 -1.913 15.048 1.00 0.00 H ATOM 412 HB3 SER A 61 10.298 -1.890 13.321 1.00 0.00 H ATOM 413 HG SER A 61 11.769 -3.168 14.585 1.00 0.00 H ATOM 414 H SER A 61 8.343 -4.969 12.755 1.00 0.00 H ATOM 415 N PRO A 62 6.280 -2.210 13.819 1.00 0.24 N ATOM 416 CA PRO A 62 5.227 -1.219 13.662 1.00 0.29 C ATOM 417 C PRO A 62 5.079 -0.337 14.896 1.00 0.32 C ATOM 418 O PRO A 62 4.991 -0.836 16.024 1.00 0.47 O ATOM 419 CB PRO A 62 3.961 -2.058 13.468 1.00 0.35 C ATOM 420 CG PRO A 62 4.349 -3.487 13.707 1.00 0.33 C ATOM 421 CD PRO A 62 5.737 -3.483 14.287 1.00 0.23 C ATOM 422 HA PRO A 62 5.436 -0.539 12.836 1.00 0.00 H ATOM 423 HD3 PRO A 62 5.708 -3.521 15.376 1.00 0.00 H ATOM 424 HD2 PRO A 62 6.322 -4.322 13.911 1.00 0.00 H ATOM 425 HG3 PRO A 62 4.339 -4.039 12.767 1.00 0.00 H ATOM 426 HG2 PRO A 62 3.653 -3.951 14.407 1.00 0.00 H ATOM 427 HB2 PRO A 62 3.195 -1.752 14.180 1.00 0.00 H ATOM 428 HB3 PRO A 62 3.581 -1.936 12.454 1.00 0.00 H ATOM 429 N VAL A 63 5.041 0.967 14.681 1.00 0.29 N ATOM 430 CA VAL A 63 4.849 1.913 15.764 1.00 0.36 C ATOM 431 C VAL A 63 3.494 2.592 15.620 1.00 0.37 C ATOM 432 O VAL A 63 3.280 3.379 14.695 1.00 0.38 O ATOM 433 CB VAL A 63 5.964 2.980 15.801 1.00 0.47 C ATOM 434 CG1 VAL A 63 5.762 3.935 16.969 1.00 1.02 C ATOM 435 CG2 VAL A 63 7.338 2.321 15.870 1.00 1.02 C ATOM 436 HA VAL A 63 4.890 1.357 16.701 1.00 0.00 H ATOM 437 HB VAL A 63 5.911 3.559 14.879 1.00 0.00 H ATOM 438 HG11 VAL A 63 4.800 4.436 16.865 1.00 0.00 H ATOM 439 HG12 VAL A 63 5.782 3.374 17.903 1.00 0.00 H ATOM 440 HG13 VAL A 63 6.561 4.677 16.972 1.00 0.00 H ATOM 441 HG21 VAL A 63 7.402 1.712 16.771 1.00 0.00 H ATOM 442 HG22 VAL A 63 7.482 1.690 14.993 1.00 0.00 H ATOM 443 HG23 VAL A 63 8.108 3.092 15.895 1.00 0.00 H ATOM 444 H VAL A 63 5.152 1.324 13.710 1.00 0.00 H ATOM 445 N ASN A 64 2.575 2.239 16.514 1.00 0.44 N ATOM 446 CA ASN A 64 1.236 2.827 16.543 1.00 0.52 C ATOM 447 C ASN A 64 0.459 2.540 15.259 1.00 0.44 C ATOM 448 O ASN A 64 -0.398 3.323 14.855 1.00 0.50 O ATOM 449 CB ASN A 64 1.307 4.337 16.803 1.00 0.64 C ATOM 450 CG ASN A 64 1.721 4.658 18.230 1.00 0.84 C ATOM 451 OD1 ASN A 64 1.409 3.914 19.160 1.00 1.34 O ATOM 452 ND2 ASN A 64 2.425 5.759 18.418 1.00 1.31 N ATOM 453 HA ASN A 64 0.696 2.357 17.365 1.00 0.00 H ATOM 454 HB2 ASN A 64 2.033 4.777 16.120 1.00 0.00 H ATOM 455 HB3 ASN A 64 0.325 4.772 16.616 1.00 0.00 H ATOM 456 HD22 ASN A 64 2.670 6.364 17.608 1.00 0.00 H ATOM 457 HD21 ASN A 64 2.734 6.021 19.376 1.00 0.00 H ATOM 458 H ASN A 64 2.818 1.516 17.221 1.00 0.00 H ATOM 459 N GLY A 65 0.751 1.402 14.633 1.00 0.40 N ATOM 460 CA GLY A 65 -0.023 0.966 13.480 1.00 0.43 C ATOM 461 C GLY A 65 0.579 1.375 12.147 1.00 0.33 C ATOM 462 O GLY A 65 -0.005 1.114 11.097 1.00 0.35 O ATOM 463 HA3 GLY A 65 -1.021 1.397 13.553 1.00 0.00 H ATOM 464 HA2 GLY A 65 -0.095 -0.121 13.506 1.00 0.00 H ATOM 465 H GLY A 65 1.542 0.817 14.972 1.00 0.00 H ATOM 466 N LYS A 66 1.747 2.005 12.178 1.00 0.28 N ATOM 467 CA LYS A 66 2.438 2.395 10.953 1.00 0.26 C ATOM 468 C LYS A 66 3.887 1.922 10.984 1.00 0.23 C ATOM 469 O LYS A 66 4.481 1.792 12.058 1.00 0.27 O ATOM 470 CB LYS A 66 2.416 3.915 10.760 1.00 0.34 C ATOM 471 CG LYS A 66 1.034 4.504 10.522 1.00 0.64 C ATOM 472 CD LYS A 66 1.120 6.010 10.313 1.00 0.75 C ATOM 473 CE LYS A 66 -0.245 6.656 10.155 1.00 1.05 C ATOM 474 NZ LYS A 66 -0.756 6.543 8.768 1.00 1.48 N ATOM 475 HA LYS A 66 1.913 1.925 10.121 1.00 0.00 H ATOM 476 HB2 LYS A 66 2.833 4.377 11.654 1.00 0.00 H ATOM 477 HB3 LYS A 66 3.042 4.158 9.901 1.00 0.00 H ATOM 478 HG2 LYS A 66 0.596 4.044 9.636 1.00 0.00 H ATOM 479 HG3 LYS A 66 0.403 4.298 11.387 1.00 0.00 H ATOM 480 HD2 LYS A 66 1.619 6.454 11.174 1.00 0.00 H ATOM 481 HD3 LYS A 66 1.705 6.205 9.414 1.00 0.00 H ATOM 482 HE2 LYS A 66 -0.168 7.711 10.417 1.00 0.00 H ATOM 483 HE3 LYS A 66 -0.947 6.166 10.830 1.00 0.00 H ATOM 484 HZ1 LYS A 66 -0.096 7.014 8.117 1.00 0.00 H ATOM 485 HZ2 LYS A 66 -0.840 5.539 8.511 1.00 0.00 H ATOM 486 HZ3 LYS A 66 -1.690 6.997 8.706 1.00 0.00 H ATOM 487 H LYS A 66 2.180 2.226 13.097 1.00 0.00 H ATOM 488 N ILE A 67 4.446 1.650 9.816 1.00 0.25 N ATOM 489 CA ILE A 67 5.863 1.341 9.713 1.00 0.27 C ATOM 490 C ILE A 67 6.571 2.377 8.860 1.00 0.26 C ATOM 491 O ILE A 67 5.945 3.089 8.060 1.00 0.29 O ATOM 492 CB ILE A 67 6.142 -0.058 9.121 1.00 0.30 C ATOM 493 CG1 ILE A 67 5.546 -0.193 7.713 1.00 0.28 C ATOM 494 CG2 ILE A 67 5.624 -1.144 10.053 1.00 0.33 C ATOM 495 CD1 ILE A 67 5.831 -1.527 7.062 1.00 0.64 C ATOM 496 HA ILE A 67 6.245 1.353 10.734 1.00 0.00 H ATOM 497 HB ILE A 67 7.221 -0.182 9.028 1.00 0.00 H ATOM 498 HG12 ILE A 67 4.466 -0.066 7.782 1.00 0.00 H ATOM 499 HG13 ILE A 67 5.963 0.594 7.085 1.00 0.00 H ATOM 500 HD11 ILE A 67 6.909 -1.665 6.975 1.00 0.00 H ATOM 501 HD12 ILE A 67 5.410 -2.325 7.673 1.00 0.00 H ATOM 502 HD13 ILE A 67 5.379 -1.550 6.070 1.00 0.00 H ATOM 503 HG21 ILE A 67 6.123 -1.061 11.018 1.00 0.00 H ATOM 504 HG22 ILE A 67 4.549 -1.024 10.187 1.00 0.00 H ATOM 505 HG23 ILE A 67 5.830 -2.122 9.619 1.00 0.00 H ATOM 506 H ILE A 67 3.861 1.657 8.956 1.00 0.00 H ATOM 507 N THR A 68 7.882 2.445 9.038 1.00 0.32 N ATOM 508 CA THR A 68 8.716 3.362 8.293 1.00 0.36 C ATOM 509 C THR A 68 8.858 2.908 6.840 1.00 0.33 C ATOM 510 O THR A 68 8.789 1.710 6.542 1.00 0.33 O ATOM 511 CB THR A 68 10.111 3.468 8.946 1.00 0.45 C ATOM 512 OG1 THR A 68 10.642 2.161 9.195 1.00 0.55 O ATOM 513 CG2 THR A 68 10.039 4.236 10.255 1.00 0.50 C ATOM 514 HA THR A 68 8.239 4.342 8.307 1.00 0.00 H ATOM 515 HB THR A 68 10.764 4.003 8.257 1.00 0.00 H ATOM 516 HG1 THR A 68 11.536 2.243 9.613 1.00 0.00 H ATOM 517 HG23 THR A 68 9.635 5.231 10.069 1.00 0.00 H ATOM 518 HG21 THR A 68 9.391 3.704 10.952 1.00 0.00 H ATOM 519 HG22 THR A 68 11.039 4.322 10.680 1.00 0.00 H ATOM 520 H THR A 68 8.327 1.817 9.738 1.00 0.00 H ATOM 521 N GLY A 69 9.066 3.865 5.939 1.00 0.37 N ATOM 522 CA GLY A 69 9.215 3.541 4.537 1.00 0.41 C ATOM 523 C GLY A 69 10.528 2.848 4.263 1.00 0.35 C ATOM 524 O GLY A 69 10.746 2.330 3.178 1.00 0.37 O ATOM 525 HA3 GLY A 69 9.172 4.461 3.954 1.00 0.00 H ATOM 526 HA2 GLY A 69 8.399 2.884 4.237 1.00 0.00 H ATOM 527 H GLY A 69 9.122 4.857 6.246 1.00 0.00 H ATOM 528 N ALA A 70 11.397 2.845 5.262 1.00 0.33 N ATOM 529 CA ALA A 70 12.692 2.194 5.163 1.00 0.33 C ATOM 530 C ALA A 70 12.546 0.679 5.145 1.00 0.31 C ATOM 531 O ALA A 70 13.216 -0.013 4.384 1.00 0.34 O ATOM 532 CB ALA A 70 13.579 2.627 6.315 1.00 0.38 C ATOM 533 HA ALA A 70 13.156 2.495 4.224 1.00 0.00 H ATOM 534 HB1 ALA A 70 13.716 3.708 6.280 1.00 0.00 H ATOM 535 HB2 ALA A 70 13.108 2.350 7.258 1.00 0.00 H ATOM 536 HB3 ALA A 70 14.547 2.134 6.232 1.00 0.00 H ATOM 537 H ALA A 70 11.144 3.326 6.149 1.00 0.00 H ATOM 538 N ASN A 71 11.650 0.174 5.975 1.00 0.33 N ATOM 539 CA ASN A 71 11.433 -1.262 6.084 1.00 0.36 C ATOM 540 C ASN A 71 10.532 -1.747 4.960 1.00 0.32 C ATOM 541 O ASN A 71 10.687 -2.865 4.465 1.00 0.32 O ATOM 542 CB ASN A 71 10.849 -1.603 7.455 1.00 0.46 C ATOM 543 CG ASN A 71 11.893 -1.480 8.546 1.00 0.76 C ATOM 544 OD1 ASN A 71 12.551 -2.458 8.908 1.00 1.81 O ATOM 545 ND2 ASN A 71 12.074 -0.271 9.057 1.00 0.61 N ATOM 546 HA ASN A 71 12.389 -1.776 5.988 1.00 0.00 H ATOM 547 HB2 ASN A 71 10.028 -0.920 7.671 1.00 0.00 H ATOM 548 HB3 ASN A 71 10.474 -2.626 7.437 1.00 0.00 H ATOM 549 HD22 ASN A 71 11.497 0.527 8.723 1.00 0.00 H ATOM 550 HD21 ASN A 71 12.793 -0.120 9.793 1.00 0.00 H ATOM 551 H ASN A 71 11.086 0.818 6.565 1.00 0.00 H ATOM 552 N ALA A 72 9.602 -0.892 4.548 1.00 0.32 N ATOM 553 CA ALA A 72 8.799 -1.160 3.366 1.00 0.33 C ATOM 554 C ALA A 72 9.705 -1.223 2.141 1.00 0.30 C ATOM 555 O ALA A 72 9.608 -2.138 1.328 1.00 0.32 O ATOM 556 CB ALA A 72 7.738 -0.084 3.192 1.00 0.39 C ATOM 557 HA ALA A 72 8.293 -2.118 3.484 1.00 0.00 H ATOM 558 HB1 ALA A 72 7.089 -0.070 4.068 1.00 0.00 H ATOM 559 HB2 ALA A 72 8.221 0.887 3.081 1.00 0.00 H ATOM 560 HB3 ALA A 72 7.146 -0.300 2.303 1.00 0.00 H ATOM 561 H ALA A 72 9.445 -0.013 5.082 1.00 0.00 H ATOM 562 N LYS A 73 10.597 -0.239 2.043 1.00 0.29 N ATOM 563 CA LYS A 73 11.625 -0.188 1.003 1.00 0.30 C ATOM 564 C LYS A 73 12.408 -1.497 0.964 1.00 0.26 C ATOM 565 O LYS A 73 12.676 -2.044 -0.103 1.00 0.27 O ATOM 566 CB LYS A 73 12.567 0.984 1.308 1.00 0.36 C ATOM 567 CG LYS A 73 13.662 1.243 0.283 1.00 0.47 C ATOM 568 CD LYS A 73 14.600 2.331 0.788 1.00 0.67 C ATOM 569 CE LYS A 73 15.692 2.681 -0.213 1.00 0.84 C ATOM 570 NZ LYS A 73 15.174 3.425 -1.390 1.00 0.76 N ATOM 571 HA LYS A 73 11.157 -0.046 0.029 1.00 0.00 H ATOM 572 HB2 LYS A 73 11.962 1.887 1.386 1.00 0.00 H ATOM 573 HB3 LYS A 73 13.047 0.786 2.266 1.00 0.00 H ATOM 574 HG2 LYS A 73 14.228 0.326 0.119 1.00 0.00 H ATOM 575 HG3 LYS A 73 13.210 1.563 -0.656 1.00 0.00 H ATOM 576 HD2 LYS A 73 14.015 3.228 0.993 1.00 0.00 H ATOM 577 HD3 LYS A 73 15.069 1.986 1.709 1.00 0.00 H ATOM 578 HE2 LYS A 73 16.156 1.758 -0.560 1.00 0.00 H ATOM 579 HE3 LYS A 73 16.440 3.296 0.287 1.00 0.00 H ATOM 580 HZ1 LYS A 73 14.465 2.844 -1.881 1.00 0.00 H ATOM 581 HZ2 LYS A 73 14.736 4.313 -1.072 1.00 0.00 H ATOM 582 HZ3 LYS A 73 15.960 3.637 -2.038 1.00 0.00 H ATOM 583 H LYS A 73 10.561 0.532 2.740 1.00 0.00 H ATOM 584 N LYS A 74 12.748 -1.988 2.148 1.00 0.26 N ATOM 585 CA LYS A 74 13.479 -3.238 2.300 1.00 0.29 C ATOM 586 C LYS A 74 12.714 -4.411 1.682 1.00 0.29 C ATOM 587 O LYS A 74 13.275 -5.176 0.904 1.00 0.35 O ATOM 588 CB LYS A 74 13.744 -3.480 3.786 1.00 0.34 C ATOM 589 CG LYS A 74 14.479 -4.767 4.105 1.00 1.03 C ATOM 590 CD LYS A 74 14.903 -4.784 5.567 1.00 1.05 C ATOM 591 CE LYS A 74 13.710 -4.666 6.504 1.00 1.63 C ATOM 592 NZ LYS A 74 14.133 -4.475 7.914 1.00 1.95 N ATOM 593 HA LYS A 74 14.428 -3.162 1.769 1.00 0.00 H ATOM 594 HB2 LYS A 74 14.339 -2.648 4.163 1.00 0.00 H ATOM 595 HB3 LYS A 74 12.784 -3.502 4.302 1.00 0.00 H ATOM 596 HG2 LYS A 74 13.822 -5.615 3.911 1.00 0.00 H ATOM 597 HG3 LYS A 74 15.364 -4.843 3.473 1.00 0.00 H ATOM 598 HD2 LYS A 74 15.422 -5.720 5.773 1.00 0.00 H ATOM 599 HD3 LYS A 74 15.578 -3.948 5.748 1.00 0.00 H ATOM 600 HE2 LYS A 74 13.115 -5.576 6.434 1.00 0.00 H ATOM 601 HE3 LYS A 74 13.104 -3.813 6.198 1.00 0.00 H ATOM 602 HZ1 LYS A 74 14.707 -5.288 8.216 1.00 0.00 H ATOM 603 HZ2 LYS A 74 14.696 -3.604 7.991 1.00 0.00 H ATOM 604 HZ3 LYS A 74 13.291 -4.399 8.520 1.00 0.00 H ATOM 605 H LYS A 74 12.482 -1.459 3.003 1.00 0.00 H ATOM 606 N GLU A 75 11.440 -4.539 2.028 1.00 0.31 N ATOM 607 CA GLU A 75 10.585 -5.584 1.456 1.00 0.35 C ATOM 608 C GLU A 75 10.510 -5.442 -0.068 1.00 0.32 C ATOM 609 O GLU A 75 10.706 -6.407 -0.814 1.00 0.35 O ATOM 610 CB GLU A 75 9.181 -5.494 2.081 1.00 0.41 C ATOM 611 CG GLU A 75 8.050 -6.051 1.220 1.00 0.59 C ATOM 612 CD GLU A 75 8.032 -7.565 1.129 1.00 0.93 C ATOM 613 OE1 GLU A 75 8.733 -8.125 0.266 1.00 1.60 O ATOM 614 OE2 GLU A 75 7.275 -8.199 1.891 1.00 1.09 O ATOM 615 HA GLU A 75 11.013 -6.561 1.680 1.00 0.00 H ATOM 616 HB2 GLU A 75 9.194 -6.047 3.021 1.00 0.00 H ATOM 617 HB3 GLU A 75 8.967 -4.444 2.281 1.00 0.00 H ATOM 618 HG2 GLU A 75 7.102 -5.722 1.644 1.00 0.00 H ATOM 619 HG3 GLU A 75 8.155 -5.648 0.213 1.00 0.00 H ATOM 620 H GLU A 75 11.036 -3.880 2.724 1.00 0.00 H ATOM 621 N MET A 76 10.259 -4.219 -0.513 1.00 0.29 N ATOM 622 CA MET A 76 10.109 -3.920 -1.933 1.00 0.30 C ATOM 623 C MET A 76 11.335 -4.368 -2.732 1.00 0.30 C ATOM 624 O MET A 76 11.204 -5.026 -3.767 1.00 0.38 O ATOM 625 CB MET A 76 9.882 -2.421 -2.122 1.00 0.39 C ATOM 626 CG MET A 76 8.578 -1.918 -1.523 1.00 0.56 C ATOM 627 SD MET A 76 7.145 -2.279 -2.549 1.00 1.04 S ATOM 628 CE MET A 76 7.501 -1.276 -3.986 1.00 1.24 C ATOM 629 HA MET A 76 9.247 -4.472 -2.307 1.00 0.00 H ATOM 630 HB2 MET A 76 10.706 -1.886 -1.650 1.00 0.00 H ATOM 631 HB3 MET A 76 9.875 -2.206 -3.191 1.00 0.00 H ATOM 632 HG2 MET A 76 8.649 -0.838 -1.393 1.00 0.00 H ATOM 633 HG3 MET A 76 8.437 -2.391 -0.551 1.00 0.00 H ATOM 634 HE1 MET A 76 7.573 -0.230 -3.688 1.00 0.00 H ATOM 635 HE2 MET A 76 8.446 -1.596 -4.426 1.00 0.00 H ATOM 636 HE3 MET A 76 6.700 -1.393 -4.716 1.00 0.00 H ATOM 637 H MET A 76 10.166 -3.445 0.175 1.00 0.00 H ATOM 638 N VAL A 77 12.526 -4.035 -2.239 1.00 0.29 N ATOM 639 CA VAL A 77 13.754 -4.364 -2.940 1.00 0.35 C ATOM 640 C VAL A 77 14.104 -5.849 -2.803 1.00 0.33 C ATOM 641 O VAL A 77 14.856 -6.391 -3.615 1.00 0.37 O ATOM 642 CB VAL A 77 14.938 -3.495 -2.462 1.00 0.51 C ATOM 643 CG1 VAL A 77 14.640 -2.020 -2.674 1.00 1.57 C ATOM 644 CG2 VAL A 77 15.287 -3.766 -1.007 1.00 1.14 C ATOM 645 HA VAL A 77 13.576 -4.149 -3.994 1.00 0.00 H ATOM 646 HB VAL A 77 15.806 -3.767 -3.063 1.00 0.00 H ATOM 647 HG11 VAL A 77 14.470 -1.834 -3.734 1.00 0.00 H ATOM 648 HG12 VAL A 77 13.749 -1.746 -2.109 1.00 0.00 H ATOM 649 HG13 VAL A 77 15.487 -1.426 -2.330 1.00 0.00 H ATOM 650 HG21 VAL A 77 14.424 -3.543 -0.380 1.00 0.00 H ATOM 651 HG22 VAL A 77 15.562 -4.814 -0.890 1.00 0.00 H ATOM 652 HG23 VAL A 77 16.125 -3.134 -0.712 1.00 0.00 H ATOM 653 H VAL A 77 12.578 -3.528 -1.332 1.00 0.00 H ATOM 654 N LYS A 78 13.555 -6.515 -1.786 1.00 0.36 N ATOM 655 CA LYS A 78 13.741 -7.958 -1.644 1.00 0.45 C ATOM 656 C LYS A 78 12.920 -8.697 -2.688 1.00 0.42 C ATOM 657 O LYS A 78 13.273 -9.795 -3.113 1.00 0.47 O ATOM 658 CB LYS A 78 13.348 -8.451 -0.245 1.00 0.61 C ATOM 659 CG LYS A 78 14.305 -8.041 0.863 1.00 0.71 C ATOM 660 CD LYS A 78 15.754 -8.257 0.462 1.00 1.25 C ATOM 661 CE LYS A 78 16.684 -8.178 1.661 1.00 1.79 C ATOM 662 NZ LYS A 78 16.619 -9.408 2.498 1.00 2.79 N ATOM 663 HA LYS A 78 14.801 -8.164 -1.791 1.00 0.00 H ATOM 664 HB2 LYS A 78 12.362 -8.051 -0.008 1.00 0.00 H ATOM 665 HB3 LYS A 78 13.301 -9.540 -0.269 1.00 0.00 H ATOM 666 HG2 LYS A 78 14.154 -6.985 1.088 1.00 0.00 H ATOM 667 HG3 LYS A 78 14.092 -8.635 1.752 1.00 0.00 H ATOM 668 HD2 LYS A 78 15.851 -9.241 0.003 1.00 0.00 H ATOM 669 HD3 LYS A 78 16.040 -7.491 -0.259 1.00 0.00 H ATOM 670 HE2 LYS A 78 16.400 -7.321 2.271 1.00 0.00 H ATOM 671 HE3 LYS A 78 17.706 -8.047 1.306 1.00 0.00 H ATOM 672 HZ1 LYS A 78 15.648 -9.537 2.847 1.00 0.00 H ATOM 673 HZ2 LYS A 78 16.895 -10.231 1.925 1.00 0.00 H ATOM 674 HZ3 LYS A 78 17.269 -9.312 3.305 1.00 0.00 H ATOM 675 H LYS A 78 12.986 -6.000 -1.084 1.00 0.00 H ATOM 676 N SER A 79 11.833 -8.076 -3.111 1.00 0.40 N ATOM 677 CA SER A 79 10.967 -8.663 -4.118 1.00 0.43 C ATOM 678 C SER A 79 11.461 -8.342 -5.532 1.00 0.38 C ATOM 679 O SER A 79 10.796 -8.657 -6.519 1.00 0.44 O ATOM 680 CB SER A 79 9.540 -8.172 -3.911 1.00 0.54 C ATOM 681 OG SER A 79 9.048 -8.572 -2.635 1.00 1.27 O ATOM 682 HA SER A 79 10.988 -9.747 -4.009 1.00 0.00 H ATOM 683 HB2 SER A 79 8.901 -8.591 -4.688 1.00 0.00 H ATOM 684 HB3 SER A 79 9.523 -7.084 -3.976 1.00 0.00 H ATOM 685 HG SER A 79 9.624 -8.190 -1.926 1.00 0.00 H ATOM 686 H SER A 79 11.592 -7.146 -2.714 1.00 0.00 H ATOM 687 N LYS A 80 12.624 -7.692 -5.606 1.00 0.39 N ATOM 688 CA LYS A 80 13.340 -7.493 -6.869 1.00 0.42 C ATOM 689 C LYS A 80 12.563 -6.651 -7.879 1.00 0.35 C ATOM 690 O LYS A 80 12.717 -6.833 -9.091 1.00 0.45 O ATOM 691 CB LYS A 80 13.693 -8.846 -7.495 1.00 0.54 C ATOM 692 CG LYS A 80 14.794 -9.590 -6.760 1.00 0.85 C ATOM 693 CD LYS A 80 16.104 -8.807 -6.752 1.00 1.32 C ATOM 694 CE LYS A 80 16.851 -8.893 -8.080 1.00 2.10 C ATOM 695 NZ LYS A 80 16.117 -8.259 -9.206 1.00 2.97 N ATOM 696 HA LYS A 80 14.247 -6.940 -6.623 1.00 0.00 H ATOM 697 HB2 LYS A 80 12.798 -9.469 -7.497 1.00 0.00 H ATOM 698 HB3 LYS A 80 14.018 -8.676 -8.522 1.00 0.00 H ATOM 699 HG2 LYS A 80 14.478 -9.760 -5.731 1.00 0.00 H ATOM 700 HG3 LYS A 80 14.960 -10.549 -7.251 1.00 0.00 H ATOM 701 HD2 LYS A 80 15.883 -7.760 -6.543 1.00 0.00 H ATOM 702 HD3 LYS A 80 16.744 -9.206 -5.965 1.00 0.00 H ATOM 703 HE2 LYS A 80 17.013 -9.944 -8.319 1.00 0.00 H ATOM 704 HE3 LYS A 80 17.814 -8.394 -7.969 1.00 0.00 H ATOM 705 HZ1 LYS A 80 15.199 -8.732 -9.330 1.00 0.00 H ATOM 706 HZ2 LYS A 80 15.964 -7.252 -8.995 1.00 0.00 H ATOM 707 HZ3 LYS A 80 16.676 -8.351 -10.078 1.00 0.00 H ATOM 708 H LYS A 80 13.039 -7.311 -4.732 1.00 0.00 H ATOM 709 N LEU A 81 11.767 -5.713 -7.396 1.00 0.31 N ATOM 710 CA LEU A 81 11.043 -4.820 -8.291 1.00 0.30 C ATOM 711 C LEU A 81 11.904 -3.609 -8.643 1.00 0.30 C ATOM 712 O LEU A 81 12.576 -3.046 -7.776 1.00 0.41 O ATOM 713 CB LEU A 81 9.716 -4.372 -7.664 1.00 0.37 C ATOM 714 CG LEU A 81 8.689 -5.487 -7.439 1.00 0.42 C ATOM 715 CD1 LEU A 81 7.425 -4.926 -6.800 1.00 0.52 C ATOM 716 CD2 LEU A 81 8.357 -6.190 -8.754 1.00 0.47 C ATOM 717 HA LEU A 81 10.816 -5.366 -9.207 1.00 0.00 H ATOM 718 HB2 LEU A 81 9.936 -3.917 -6.698 1.00 0.00 H ATOM 719 HB3 LEU A 81 9.267 -3.628 -8.321 1.00 0.00 H ATOM 720 HG LEU A 81 9.124 -6.221 -6.760 1.00 0.00 H ATOM 721 HD21 LEU A 81 7.944 -5.467 -9.457 1.00 0.00 H ATOM 722 HD22 LEU A 81 9.265 -6.626 -9.171 1.00 0.00 H ATOM 723 HD23 LEU A 81 7.626 -6.977 -8.569 1.00 0.00 H ATOM 724 HD11 LEU A 81 7.675 -4.474 -5.840 1.00 0.00 H ATOM 725 HD12 LEU A 81 6.992 -4.171 -7.456 1.00 0.00 H ATOM 726 HD13 LEU A 81 6.708 -5.732 -6.648 1.00 0.00 H ATOM 727 H LEU A 81 11.656 -5.611 -6.367 1.00 0.00 H ATOM 728 N PRO A 82 11.915 -3.211 -9.927 1.00 0.28 N ATOM 729 CA PRO A 82 12.670 -2.041 -10.390 1.00 0.34 C ATOM 730 C PRO A 82 12.239 -0.762 -9.674 1.00 0.33 C ATOM 731 O PRO A 82 11.091 -0.649 -9.239 1.00 0.27 O ATOM 732 CB PRO A 82 12.332 -1.953 -11.883 1.00 0.43 C ATOM 733 CG PRO A 82 11.867 -3.319 -12.257 1.00 0.44 C ATOM 734 CD PRO A 82 11.199 -3.875 -11.032 1.00 0.37 C ATOM 735 HA PRO A 82 13.737 -2.143 -10.191 1.00 0.00 H ATOM 736 HD3 PRO A 82 10.138 -3.625 -11.017 1.00 0.00 H ATOM 737 HD2 PRO A 82 11.316 -4.957 -10.980 1.00 0.00 H ATOM 738 HG3 PRO A 82 12.713 -3.943 -12.544 1.00 0.00 H ATOM 739 HG2 PRO A 82 11.159 -3.266 -13.084 1.00 0.00 H ATOM 740 HB2 PRO A 82 11.544 -1.220 -12.055 1.00 0.00 H ATOM 741 HB3 PRO A 82 13.215 -1.678 -12.460 1.00 0.00 H ATOM 742 N ASN A 83 13.156 0.199 -9.571 1.00 0.44 N ATOM 743 CA ASN A 83 12.901 1.454 -8.855 1.00 0.49 C ATOM 744 C ASN A 83 11.662 2.164 -9.388 1.00 0.42 C ATOM 745 O ASN A 83 10.934 2.812 -8.634 1.00 0.41 O ATOM 746 CB ASN A 83 14.113 2.388 -8.953 1.00 0.64 C ATOM 747 CG ASN A 83 15.375 1.776 -8.374 1.00 1.05 C ATOM 748 OD1 ASN A 83 16.147 1.130 -9.083 1.00 1.85 O ATOM 749 ND2 ASN A 83 15.601 1.980 -7.083 1.00 1.79 N ATOM 750 HA ASN A 83 12.725 1.199 -7.810 1.00 0.00 H ATOM 751 HB2 ASN A 83 14.289 2.622 -10.003 1.00 0.00 H ATOM 752 HB3 ASN A 83 13.890 3.306 -8.410 1.00 0.00 H ATOM 753 HD22 ASN A 83 14.925 2.531 -6.517 1.00 0.00 H ATOM 754 HD21 ASN A 83 16.455 1.588 -6.636 1.00 0.00 H ATOM 755 H ASN A 83 14.086 0.054 -10.014 1.00 0.00 H ATOM 756 N THR A 84 11.422 2.032 -10.685 1.00 0.43 N ATOM 757 CA THR A 84 10.245 2.605 -11.310 1.00 0.45 C ATOM 758 C THR A 84 8.972 1.965 -10.753 1.00 0.35 C ATOM 759 O THR A 84 8.017 2.655 -10.383 1.00 0.34 O ATOM 760 CB THR A 84 10.310 2.399 -12.833 1.00 0.59 C ATOM 761 OG1 THR A 84 10.758 1.064 -13.109 1.00 1.47 O ATOM 762 CG2 THR A 84 11.257 3.400 -13.479 1.00 1.27 C ATOM 763 HA THR A 84 10.221 3.672 -11.090 1.00 0.00 H ATOM 764 HB THR A 84 9.315 2.554 -13.249 1.00 0.00 H ATOM 765 HG1 THR A 84 10.801 0.928 -14.089 1.00 0.00 H ATOM 766 HG23 THR A 84 10.913 4.412 -13.267 1.00 0.00 H ATOM 767 HG21 THR A 84 12.260 3.263 -13.074 1.00 0.00 H ATOM 768 HG22 THR A 84 11.274 3.239 -14.557 1.00 0.00 H ATOM 769 H THR A 84 12.098 1.502 -11.272 1.00 0.00 H ATOM 770 N VAL A 85 8.983 0.638 -10.674 1.00 0.32 N ATOM 771 CA VAL A 85 7.849 -0.120 -10.169 1.00 0.32 C ATOM 772 C VAL A 85 7.672 0.112 -8.669 1.00 0.26 C ATOM 773 O VAL A 85 6.551 0.120 -8.158 1.00 0.31 O ATOM 774 CB VAL A 85 8.022 -1.628 -10.454 1.00 0.36 C ATOM 775 CG1 VAL A 85 6.805 -2.415 -9.992 1.00 0.44 C ATOM 776 CG2 VAL A 85 8.278 -1.854 -11.937 1.00 0.45 C ATOM 777 HA VAL A 85 6.956 0.229 -10.687 1.00 0.00 H ATOM 778 HB VAL A 85 8.883 -1.988 -9.891 1.00 0.00 H ATOM 779 HG11 VAL A 85 6.669 -2.275 -8.920 1.00 0.00 H ATOM 780 HG12 VAL A 85 5.921 -2.058 -10.521 1.00 0.00 H ATOM 781 HG13 VAL A 85 6.956 -3.473 -10.206 1.00 0.00 H ATOM 782 HG21 VAL A 85 7.433 -1.475 -12.512 1.00 0.00 H ATOM 783 HG22 VAL A 85 9.185 -1.327 -12.232 1.00 0.00 H ATOM 784 HG23 VAL A 85 8.398 -2.921 -12.125 1.00 0.00 H ATOM 785 H VAL A 85 9.832 0.124 -10.984 1.00 0.00 H ATOM 786 N LEU A 86 8.786 0.317 -7.973 1.00 0.24 N ATOM 787 CA LEU A 86 8.755 0.632 -6.550 1.00 0.28 C ATOM 788 C LEU A 86 7.923 1.889 -6.309 1.00 0.24 C ATOM 789 O LEU A 86 7.059 1.921 -5.423 1.00 0.28 O ATOM 790 CB LEU A 86 10.177 0.830 -6.007 1.00 0.37 C ATOM 791 CG LEU A 86 11.130 -0.357 -6.182 1.00 0.51 C ATOM 792 CD1 LEU A 86 12.492 -0.044 -5.576 1.00 0.90 C ATOM 793 CD2 LEU A 86 10.548 -1.615 -5.560 1.00 0.82 C ATOM 794 HA LEU A 86 8.297 -0.205 -6.022 1.00 0.00 H ATOM 795 HB2 LEU A 86 10.614 1.688 -6.518 1.00 0.00 H ATOM 796 HB3 LEU A 86 10.101 1.044 -4.941 1.00 0.00 H ATOM 797 HG LEU A 86 11.259 -0.533 -7.250 1.00 0.00 H ATOM 798 HD21 LEU A 86 10.384 -1.450 -4.495 1.00 0.00 H ATOM 799 HD22 LEU A 86 9.600 -1.852 -6.042 1.00 0.00 H ATOM 800 HD23 LEU A 86 11.244 -2.442 -5.698 1.00 0.00 H ATOM 801 HD11 LEU A 86 12.918 0.828 -6.073 1.00 0.00 H ATOM 802 HD12 LEU A 86 12.376 0.163 -4.512 1.00 0.00 H ATOM 803 HD13 LEU A 86 13.154 -0.900 -5.711 1.00 0.00 H ATOM 804 H LEU A 86 9.704 0.251 -8.457 1.00 0.00 H ATOM 805 N GLY A 87 8.176 2.916 -7.118 1.00 0.23 N ATOM 806 CA GLY A 87 7.423 4.151 -7.009 1.00 0.26 C ATOM 807 C GLY A 87 5.970 3.955 -7.393 1.00 0.27 C ATOM 808 O GLY A 87 5.076 4.572 -6.811 1.00 0.32 O ATOM 809 HA3 GLY A 87 7.866 4.895 -7.670 1.00 0.00 H ATOM 810 HA2 GLY A 87 7.472 4.506 -5.980 1.00 0.00 H ATOM 811 H GLY A 87 8.923 2.832 -7.837 1.00 0.00 H ATOM 812 N LYS A 88 5.741 3.086 -8.378 1.00 0.27 N ATOM 813 CA LYS A 88 4.390 2.717 -8.797 1.00 0.36 C ATOM 814 C LYS A 88 3.594 2.154 -7.625 1.00 0.33 C ATOM 815 O LYS A 88 2.488 2.613 -7.332 1.00 0.35 O ATOM 816 CB LYS A 88 4.458 1.673 -9.918 1.00 0.50 C ATOM 817 CG LYS A 88 4.824 2.240 -11.282 1.00 0.74 C ATOM 818 CD LYS A 88 3.608 2.827 -11.986 1.00 1.03 C ATOM 819 CE LYS A 88 3.950 3.305 -13.391 1.00 1.50 C ATOM 820 NZ LYS A 88 2.737 3.514 -14.227 1.00 1.89 N ATOM 821 HA LYS A 88 3.888 3.613 -9.161 1.00 0.00 H ATOM 822 HB2 LYS A 88 5.206 0.928 -9.646 1.00 0.00 H ATOM 823 HB3 LYS A 88 3.482 1.194 -9.998 1.00 0.00 H ATOM 824 HG2 LYS A 88 5.571 3.023 -11.152 1.00 0.00 H ATOM 825 HG3 LYS A 88 5.240 1.442 -11.898 1.00 0.00 H ATOM 826 HD2 LYS A 88 2.833 2.063 -12.051 1.00 0.00 H ATOM 827 HD3 LYS A 88 3.236 3.671 -11.406 1.00 0.00 H ATOM 828 HE2 LYS A 88 4.583 2.559 -13.871 1.00 0.00 H ATOM 829 HE3 LYS A 88 4.493 4.247 -13.319 1.00 0.00 H ATOM 830 HZ1 LYS A 88 2.215 2.618 -14.309 1.00 0.00 H ATOM 831 HZ2 LYS A 88 2.129 4.231 -13.781 1.00 0.00 H ATOM 832 HZ3 LYS A 88 3.021 3.839 -15.173 1.00 0.00 H ATOM 833 H LYS A 88 6.552 2.655 -8.866 1.00 0.00 H ATOM 834 N ILE A 89 4.176 1.163 -6.960 1.00 0.34 N ATOM 835 CA ILE A 89 3.523 0.488 -5.849 1.00 0.38 C ATOM 836 C ILE A 89 3.226 1.466 -4.715 1.00 0.30 C ATOM 837 O ILE A 89 2.113 1.489 -4.198 1.00 0.31 O ATOM 838 CB ILE A 89 4.377 -0.680 -5.308 1.00 0.49 C ATOM 839 CG1 ILE A 89 4.691 -1.689 -6.422 1.00 0.59 C ATOM 840 CG2 ILE A 89 3.667 -1.370 -4.153 1.00 0.55 C ATOM 841 CD1 ILE A 89 3.463 -2.301 -7.063 1.00 0.71 C ATOM 842 HA ILE A 89 2.586 0.083 -6.231 1.00 0.00 H ATOM 843 HB ILE A 89 5.319 -0.270 -4.942 1.00 0.00 H ATOM 844 HG12 ILE A 89 5.264 -1.178 -7.196 1.00 0.00 H ATOM 845 HG13 ILE A 89 5.293 -2.493 -5.997 1.00 0.00 H ATOM 846 HD11 ILE A 89 2.883 -2.828 -6.305 1.00 0.00 H ATOM 847 HD12 ILE A 89 2.854 -1.512 -7.505 1.00 0.00 H ATOM 848 HD13 ILE A 89 3.771 -3.002 -7.839 1.00 0.00 H ATOM 849 HG21 ILE A 89 3.499 -0.652 -3.350 1.00 0.00 H ATOM 850 HG22 ILE A 89 2.710 -1.761 -4.498 1.00 0.00 H ATOM 851 HG23 ILE A 89 4.285 -2.190 -3.786 1.00 0.00 H ATOM 852 H ILE A 89 5.130 0.859 -7.243 1.00 0.00 H ATOM 853 N TRP A 90 4.211 2.284 -4.344 1.00 0.27 N ATOM 854 CA TRP A 90 4.012 3.259 -3.275 1.00 0.23 C ATOM 855 C TRP A 90 2.872 4.221 -3.616 1.00 0.26 C ATOM 856 O TRP A 90 1.998 4.483 -2.788 1.00 0.29 O ATOM 857 CB TRP A 90 5.298 4.045 -3.009 1.00 0.25 C ATOM 858 CG TRP A 90 5.198 4.955 -1.817 1.00 0.24 C ATOM 859 CD1 TRP A 90 4.746 6.243 -1.802 1.00 0.29 C ATOM 860 CD2 TRP A 90 5.562 4.644 -0.465 1.00 0.23 C ATOM 861 NE1 TRP A 90 4.796 6.746 -0.523 1.00 0.30 N ATOM 862 CE2 TRP A 90 5.298 5.786 0.316 1.00 0.26 C ATOM 863 CE3 TRP A 90 6.084 3.509 0.160 1.00 0.26 C ATOM 864 CZ2 TRP A 90 5.540 5.826 1.687 1.00 0.30 C ATOM 865 CZ3 TRP A 90 6.325 3.547 1.518 1.00 0.32 C ATOM 866 CH2 TRP A 90 6.054 4.699 2.271 1.00 0.33 C ATOM 867 HA TRP A 90 3.744 2.710 -2.372 1.00 0.00 H ATOM 868 HB2 TRP A 90 6.109 3.337 -2.838 1.00 0.00 H ATOM 869 HB3 TRP A 90 5.524 4.648 -3.888 1.00 0.00 H ATOM 870 HE1 TRP A 90 4.500 7.702 -0.238 1.00 0.00 H ATOM 871 HD1 TRP A 90 4.397 6.793 -2.676 1.00 0.00 H ATOM 872 HZ2 TRP A 90 5.328 6.720 2.273 1.00 0.00 H ATOM 873 HH2 TRP A 90 6.257 4.697 3.342 1.00 0.00 H ATOM 874 HZ3 TRP A 90 6.733 2.667 2.014 1.00 0.00 H ATOM 875 HE3 TRP A 90 6.297 2.608 -0.416 1.00 0.00 H ATOM 876 H TRP A 90 5.133 2.227 -4.822 1.00 0.00 H ATOM 877 N LYS A 91 2.898 4.735 -4.843 1.00 0.30 N ATOM 878 CA LYS A 91 1.865 5.643 -5.344 1.00 0.41 C ATOM 879 C LYS A 91 0.464 5.048 -5.208 1.00 0.41 C ATOM 880 O LYS A 91 -0.495 5.760 -4.910 1.00 0.47 O ATOM 881 CB LYS A 91 2.144 5.973 -6.810 1.00 0.58 C ATOM 882 CG LYS A 91 0.997 6.671 -7.522 1.00 0.90 C ATOM 883 CD LYS A 91 1.342 6.927 -8.975 1.00 1.49 C ATOM 884 CE LYS A 91 2.135 8.213 -9.150 1.00 2.16 C ATOM 885 NZ LYS A 91 1.289 9.419 -8.922 1.00 2.70 N ATOM 886 HA LYS A 91 1.898 6.550 -4.741 1.00 0.00 H ATOM 887 HB2 LYS A 91 3.019 6.622 -6.854 1.00 0.00 H ATOM 888 HB3 LYS A 91 2.357 5.042 -7.336 1.00 0.00 H ATOM 889 HG2 LYS A 91 0.108 6.042 -7.471 1.00 0.00 H ATOM 890 HG3 LYS A 91 0.796 7.622 -7.029 1.00 0.00 H ATOM 891 HD2 LYS A 91 1.935 6.093 -9.349 1.00 0.00 H ATOM 892 HD3 LYS A 91 0.419 7.001 -9.549 1.00 0.00 H ATOM 893 HE2 LYS A 91 2.533 8.247 -10.164 1.00 0.00 H ATOM 894 HE3 LYS A 91 2.959 8.220 -8.437 1.00 0.00 H ATOM 895 HZ1 LYS A 91 0.503 9.424 -9.603 1.00 0.00 H ATOM 896 HZ2 LYS A 91 0.910 9.397 -7.954 1.00 0.00 H ATOM 897 HZ3 LYS A 91 1.866 10.275 -9.051 1.00 0.00 H ATOM 898 H LYS A 91 3.686 4.481 -5.473 1.00 0.00 H ATOM 899 N LEU A 92 0.349 3.748 -5.437 1.00 0.40 N ATOM 900 CA LEU A 92 -0.947 3.086 -5.402 1.00 0.47 C ATOM 901 C LEU A 92 -1.323 2.652 -3.988 1.00 0.46 C ATOM 902 O LEU A 92 -2.505 2.592 -3.644 1.00 0.61 O ATOM 903 CB LEU A 92 -0.948 1.867 -6.329 1.00 0.54 C ATOM 904 CG LEU A 92 -0.711 2.169 -7.811 1.00 0.97 C ATOM 905 CD1 LEU A 92 -0.681 0.876 -8.615 1.00 1.51 C ATOM 906 CD2 LEU A 92 -1.782 3.113 -8.341 1.00 1.66 C ATOM 907 HA LEU A 92 -1.689 3.807 -5.745 1.00 0.00 H ATOM 908 HB2 LEU A 92 -0.163 1.189 -5.994 1.00 0.00 H ATOM 909 HB3 LEU A 92 -1.916 1.375 -6.236 1.00 0.00 H ATOM 910 HG LEU A 92 0.256 2.661 -7.917 1.00 0.00 H ATOM 911 HD21 LEU A 92 -2.762 2.650 -8.226 1.00 0.00 H ATOM 912 HD22 LEU A 92 -1.752 4.047 -7.780 1.00 0.00 H ATOM 913 HD23 LEU A 92 -1.596 3.316 -9.396 1.00 0.00 H ATOM 914 HD11 LEU A 92 0.124 0.240 -8.247 1.00 0.00 H ATOM 915 HD12 LEU A 92 -1.634 0.359 -8.504 1.00 0.00 H ATOM 916 HD13 LEU A 92 -0.512 1.107 -9.667 1.00 0.00 H ATOM 917 H LEU A 92 1.201 3.190 -5.646 1.00 0.00 H ATOM 918 N ALA A 93 -0.322 2.349 -3.179 1.00 0.37 N ATOM 919 CA ALA A 93 -0.556 1.834 -1.840 1.00 0.42 C ATOM 920 C ALA A 93 -0.909 2.944 -0.859 1.00 0.38 C ATOM 921 O ALA A 93 -1.811 2.788 -0.034 1.00 0.43 O ATOM 922 CB ALA A 93 0.666 1.076 -1.352 1.00 0.47 C ATOM 923 HA ALA A 93 -1.408 1.156 -1.892 1.00 0.00 H ATOM 924 HB1 ALA A 93 0.869 0.244 -2.026 1.00 0.00 H ATOM 925 HB2 ALA A 93 1.525 1.747 -1.333 1.00 0.00 H ATOM 926 HB3 ALA A 93 0.479 0.695 -0.348 1.00 0.00 H ATOM 927 H ALA A 93 0.655 2.482 -3.508 1.00 0.00 H ATOM 928 N ASP A 94 -0.205 4.064 -0.945 1.00 0.33 N ATOM 929 CA ASP A 94 -0.442 5.161 -0.022 1.00 0.35 C ATOM 930 C ASP A 94 -1.246 6.258 -0.705 1.00 0.32 C ATOM 931 O ASP A 94 -0.697 7.115 -1.391 1.00 0.37 O ATOM 932 CB ASP A 94 0.872 5.717 0.525 1.00 0.37 C ATOM 933 CG ASP A 94 0.721 6.195 1.949 1.00 0.45 C ATOM 934 OD1 ASP A 94 0.224 7.312 2.167 1.00 0.79 O ATOM 935 OD2 ASP A 94 1.126 5.495 2.879 1.00 0.46 O ATOM 936 HA ASP A 94 -1.017 4.778 0.821 1.00 0.00 H ATOM 937 HB2 ASP A 94 1.629 4.934 0.493 1.00 0.00 H ATOM 938 HB3 ASP A 94 1.189 6.553 -0.098 1.00 0.00 H ATOM 939 H ASP A 94 0.524 4.158 -1.680 1.00 0.00 H ATOM 940 N VAL A 95 -2.558 6.206 -0.512 1.00 0.35 N ATOM 941 CA VAL A 95 -3.488 7.105 -1.191 1.00 0.42 C ATOM 942 C VAL A 95 -3.317 8.545 -0.722 1.00 0.50 C ATOM 943 O VAL A 95 -3.353 9.483 -1.522 1.00 0.61 O ATOM 944 CB VAL A 95 -4.949 6.660 -0.956 1.00 0.49 C ATOM 945 CG1 VAL A 95 -5.912 7.503 -1.779 1.00 0.59 C ATOM 946 CG2 VAL A 95 -5.115 5.181 -1.277 1.00 0.51 C ATOM 947 HA VAL A 95 -3.261 7.057 -2.256 1.00 0.00 H ATOM 948 HB VAL A 95 -5.186 6.811 0.097 1.00 0.00 H ATOM 949 HG11 VAL A 95 -5.813 8.550 -1.492 1.00 0.00 H ATOM 950 HG12 VAL A 95 -5.677 7.392 -2.838 1.00 0.00 H ATOM 951 HG13 VAL A 95 -6.933 7.169 -1.595 1.00 0.00 H ATOM 952 HG21 VAL A 95 -4.855 5.006 -2.321 1.00 0.00 H ATOM 953 HG22 VAL A 95 -4.458 4.595 -0.634 1.00 0.00 H ATOM 954 HG23 VAL A 95 -6.151 4.887 -1.105 1.00 0.00 H ATOM 955 H VAL A 95 -2.939 5.498 0.148 1.00 0.00 H ATOM 956 N ASP A 96 -3.115 8.718 0.574 1.00 0.49 N ATOM 957 CA ASP A 96 -3.023 10.047 1.157 1.00 0.59 C ATOM 958 C ASP A 96 -1.588 10.541 1.156 1.00 0.53 C ATOM 959 O ASP A 96 -1.342 11.748 1.225 1.00 0.67 O ATOM 960 CB ASP A 96 -3.598 10.055 2.576 1.00 0.66 C ATOM 961 CG ASP A 96 -2.860 9.129 3.530 1.00 0.64 C ATOM 962 OD1 ASP A 96 -2.769 7.912 3.243 1.00 0.56 O ATOM 963 OD2 ASP A 96 -2.408 9.606 4.586 1.00 0.96 O ATOM 964 HA ASP A 96 -3.614 10.727 0.544 1.00 0.00 H ATOM 965 HB2 ASP A 96 -3.541 11.071 2.967 1.00 0.00 H ATOM 966 HB3 ASP A 96 -4.641 9.743 2.528 1.00 0.00 H ATOM 967 H ASP A 96 -3.020 7.885 1.189 1.00 0.00 H ATOM 968 N LYS A 97 -0.651 9.602 1.044 1.00 0.40 N ATOM 969 CA LYS A 97 0.774 9.911 0.966 1.00 0.43 C ATOM 970 C LYS A 97 1.275 10.515 2.272 1.00 0.37 C ATOM 971 O LYS A 97 1.763 11.647 2.298 1.00 0.54 O ATOM 972 CB LYS A 97 1.054 10.863 -0.197 1.00 0.65 C ATOM 973 CG LYS A 97 0.650 10.312 -1.555 1.00 0.87 C ATOM 974 CD LYS A 97 0.665 11.397 -2.625 1.00 1.21 C ATOM 975 CE LYS A 97 -0.599 12.252 -2.603 1.00 2.08 C ATOM 976 NZ LYS A 97 -0.765 13.006 -1.330 1.00 2.96 N ATOM 977 HA LYS A 97 1.310 8.978 0.793 1.00 0.00 H ATOM 978 HB2 LYS A 97 0.504 11.788 -0.024 1.00 0.00 H ATOM 979 HB3 LYS A 97 2.123 11.076 -0.217 1.00 0.00 H ATOM 980 HG2 LYS A 97 1.347 9.524 -1.839 1.00 0.00 H ATOM 981 HG3 LYS A 97 -0.356 9.898 -1.484 1.00 0.00 H ATOM 982 HD2 LYS A 97 1.528 12.042 -2.458 1.00 0.00 H ATOM 983 HD3 LYS A 97 0.751 10.924 -3.603 1.00 0.00 H ATOM 984 HE2 LYS A 97 -1.463 11.601 -2.737 1.00 0.00 H ATOM 985 HE3 LYS A 97 -0.552 12.965 -3.426 1.00 0.00 H ATOM 986 HZ1 LYS A 97 -0.821 12.336 -0.536 1.00 0.00 H ATOM 987 HZ2 LYS A 97 0.049 13.639 -1.195 1.00 0.00 H ATOM 988 HZ3 LYS A 97 -1.639 13.568 -1.373 1.00 0.00 H ATOM 989 H LYS A 97 -0.947 8.605 1.011 1.00 0.00 H ATOM 990 N ASP A 98 1.152 9.757 3.353 1.00 0.36 N ATOM 991 CA ASP A 98 1.587 10.227 4.664 1.00 0.37 C ATOM 992 C ASP A 98 3.012 9.766 4.963 1.00 0.36 C ATOM 993 O ASP A 98 3.508 9.927 6.079 1.00 0.41 O ATOM 994 CB ASP A 98 0.618 9.742 5.757 1.00 0.42 C ATOM 995 CG ASP A 98 0.613 8.230 5.954 1.00 0.35 C ATOM 996 OD1 ASP A 98 0.303 7.485 4.990 1.00 0.37 O ATOM 997 OD2 ASP A 98 0.895 7.774 7.084 1.00 0.43 O ATOM 998 HA ASP A 98 1.581 11.317 4.655 1.00 0.00 H ATOM 999 HB2 ASP A 98 0.902 10.210 6.700 1.00 0.00 H ATOM 1000 HB3 ASP A 98 -0.390 10.056 5.486 1.00 0.00 H ATOM 1001 H ASP A 98 0.737 8.808 3.265 1.00 0.00 H ATOM 1002 N GLY A 99 3.672 9.213 3.948 1.00 0.35 N ATOM 1003 CA GLY A 99 5.070 8.815 4.066 1.00 0.41 C ATOM 1004 C GLY A 99 5.270 7.557 4.894 1.00 0.41 C ATOM 1005 O GLY A 99 6.309 6.904 4.804 1.00 0.44 O ATOM 1006 HA3 GLY A 99 5.623 9.629 4.534 1.00 0.00 H ATOM 1007 HA2 GLY A 99 5.465 8.637 3.066 1.00 0.00 H ATOM 1008 H GLY A 99 3.177 9.061 3.046 1.00 0.00 H ATOM 1009 N LEU A 100 4.277 7.223 5.694 1.00 0.46 N ATOM 1010 CA LEU A 100 4.312 6.029 6.514 1.00 0.48 C ATOM 1011 C LEU A 100 3.255 5.065 6.021 1.00 0.38 C ATOM 1012 O LEU A 100 2.244 5.488 5.458 1.00 0.40 O ATOM 1013 CB LEU A 100 4.054 6.372 7.986 1.00 0.61 C ATOM 1014 CG LEU A 100 5.149 7.192 8.670 1.00 0.60 C ATOM 1015 CD1 LEU A 100 4.735 7.569 10.082 1.00 1.11 C ATOM 1016 CD2 LEU A 100 6.455 6.415 8.697 1.00 0.88 C ATOM 1017 HA LEU A 100 5.300 5.574 6.438 1.00 0.00 H ATOM 1018 HB2 LEU A 100 3.125 6.939 8.042 1.00 0.00 H ATOM 1019 HB3 LEU A 100 3.941 5.437 8.535 1.00 0.00 H ATOM 1020 HG LEU A 100 5.297 8.107 8.097 1.00 0.00 H ATOM 1021 HD21 LEU A 100 6.312 5.485 9.247 1.00 0.00 H ATOM 1022 HD22 LEU A 100 6.764 6.191 7.676 1.00 0.00 H ATOM 1023 HD23 LEU A 100 7.223 7.014 9.187 1.00 0.00 H ATOM 1024 HD11 LEU A 100 3.821 8.162 10.045 1.00 0.00 H ATOM 1025 HD12 LEU A 100 4.559 6.663 10.662 1.00 0.00 H ATOM 1026 HD13 LEU A 100 5.529 8.152 10.549 1.00 0.00 H ATOM 1027 H LEU A 100 3.439 7.838 5.738 1.00 0.00 H ATOM 1028 N LEU A 101 3.486 3.782 6.213 1.00 0.35 N ATOM 1029 CA LEU A 101 2.514 2.791 5.796 1.00 0.31 C ATOM 1030 C LEU A 101 1.756 2.252 6.995 1.00 0.34 C ATOM 1031 O LEU A 101 2.354 1.707 7.922 1.00 0.42 O ATOM 1032 CB LEU A 101 3.187 1.638 5.042 1.00 0.33 C ATOM 1033 CG LEU A 101 3.721 1.984 3.650 1.00 0.33 C ATOM 1034 CD1 LEU A 101 4.339 0.754 3.006 1.00 0.39 C ATOM 1035 CD2 LEU A 101 2.613 2.540 2.769 1.00 0.30 C ATOM 1036 HA LEU A 101 1.811 3.279 5.121 1.00 0.00 H ATOM 1037 HB2 LEU A 101 4.024 1.285 5.645 1.00 0.00 H ATOM 1038 HB3 LEU A 101 2.457 0.836 4.932 1.00 0.00 H ATOM 1039 HG LEU A 101 4.489 2.750 3.757 1.00 0.00 H ATOM 1040 HD21 LEU A 101 1.823 1.796 2.668 1.00 0.00 H ATOM 1041 HD22 LEU A 101 2.207 3.443 3.225 1.00 0.00 H ATOM 1042 HD23 LEU A 101 3.018 2.778 1.785 1.00 0.00 H ATOM 1043 HD11 LEU A 101 5.161 0.395 3.626 1.00 0.00 H ATOM 1044 HD12 LEU A 101 3.583 -0.026 2.916 1.00 0.00 H ATOM 1045 HD13 LEU A 101 4.715 1.014 2.016 1.00 0.00 H ATOM 1046 H LEU A 101 4.371 3.479 6.667 1.00 0.00 H ATOM 1047 N ASP A 102 0.442 2.435 6.976 1.00 0.33 N ATOM 1048 CA ASP A 102 -0.429 1.815 7.966 1.00 0.39 C ATOM 1049 C ASP A 102 -0.456 0.322 7.722 1.00 0.24 C ATOM 1050 O ASP A 102 0.012 -0.147 6.686 1.00 0.20 O ATOM 1051 CB ASP A 102 -1.866 2.352 7.865 1.00 0.57 C ATOM 1052 CG ASP A 102 -2.017 3.785 8.314 1.00 0.70 C ATOM 1053 OD1 ASP A 102 -2.012 4.029 9.538 1.00 1.72 O ATOM 1054 OD2 ASP A 102 -2.141 4.676 7.454 1.00 0.97 O ATOM 1055 HA ASP A 102 -0.041 2.047 8.958 1.00 0.00 H ATOM 1056 HB2 ASP A 102 -2.186 2.282 6.825 1.00 0.00 H ATOM 1057 HB3 ASP A 102 -2.510 1.728 8.485 1.00 0.00 H ATOM 1058 H ASP A 102 0.024 3.035 6.237 1.00 0.00 H ATOM 1059 N ASP A 103 -1.007 -0.417 8.662 1.00 0.26 N ATOM 1060 CA ASP A 103 -1.163 -1.852 8.496 1.00 0.29 C ATOM 1061 C ASP A 103 -2.033 -2.135 7.273 1.00 0.25 C ATOM 1062 O ASP A 103 -1.786 -3.085 6.522 1.00 0.28 O ATOM 1063 CB ASP A 103 -1.760 -2.475 9.767 1.00 0.45 C ATOM 1064 CG ASP A 103 -3.141 -1.950 10.099 1.00 0.68 C ATOM 1065 OD1 ASP A 103 -3.283 -0.726 10.292 1.00 1.17 O ATOM 1066 OD2 ASP A 103 -4.097 -2.758 10.146 1.00 1.60 O ATOM 1067 HA ASP A 103 -0.186 -2.308 8.334 1.00 0.00 H ATOM 1068 HB2 ASP A 103 -1.824 -3.554 9.627 1.00 0.00 H ATOM 1069 HB3 ASP A 103 -1.096 -2.258 10.604 1.00 0.00 H ATOM 1070 H ASP A 103 -1.336 0.034 9.539 1.00 0.00 H ATOM 1071 N GLU A 104 -3.023 -1.271 7.057 1.00 0.26 N ATOM 1072 CA GLU A 104 -3.888 -1.358 5.886 1.00 0.28 C ATOM 1073 C GLU A 104 -3.084 -1.094 4.612 1.00 0.23 C ATOM 1074 O GLU A 104 -3.112 -1.882 3.662 1.00 0.24 O ATOM 1075 CB GLU A 104 -5.026 -0.332 5.980 1.00 0.37 C ATOM 1076 CG GLU A 104 -5.769 -0.322 7.311 1.00 0.59 C ATOM 1077 CD GLU A 104 -6.474 -1.626 7.623 1.00 1.07 C ATOM 1078 OE1 GLU A 104 -6.451 -2.533 6.766 1.00 1.63 O ATOM 1079 OE2 GLU A 104 -7.056 -1.760 8.715 1.00 1.66 O ATOM 1080 HA GLU A 104 -4.309 -2.363 5.851 1.00 0.00 H ATOM 1081 HB2 GLU A 104 -4.603 0.660 5.820 1.00 0.00 H ATOM 1082 HB3 GLU A 104 -5.746 -0.550 5.191 1.00 0.00 H ATOM 1083 HG2 GLU A 104 -5.050 -0.120 8.105 1.00 0.00 H ATOM 1084 HG3 GLU A 104 -6.513 0.474 7.285 1.00 0.00 H ATOM 1085 H GLU A 104 -3.185 -0.509 7.746 1.00 0.00 H ATOM 1086 N GLU A 105 -2.346 0.014 4.613 1.00 0.22 N ATOM 1087 CA GLU A 105 -1.621 0.460 3.427 1.00 0.24 C ATOM 1088 C GLU A 105 -0.538 -0.539 3.039 1.00 0.18 C ATOM 1089 O GLU A 105 -0.353 -0.838 1.860 1.00 0.18 O ATOM 1090 CB GLU A 105 -0.975 1.826 3.661 1.00 0.33 C ATOM 1091 CG GLU A 105 -1.933 2.895 4.153 1.00 0.33 C ATOM 1092 CD GLU A 105 -1.255 4.242 4.297 1.00 0.35 C ATOM 1093 OE1 GLU A 105 -0.300 4.377 5.073 1.00 0.37 O ATOM 1094 OE2 GLU A 105 -1.669 5.212 3.653 1.00 0.44 O ATOM 1095 HA GLU A 105 -2.346 0.537 2.617 1.00 0.00 H ATOM 1096 HB2 GLU A 105 -0.185 1.708 4.403 1.00 0.00 H ATOM 1097 HB3 GLU A 105 -0.540 2.164 2.720 1.00 0.00 H ATOM 1098 HG2 GLU A 105 -2.753 2.988 3.441 1.00 0.00 H ATOM 1099 HG3 GLU A 105 -2.328 2.594 5.123 1.00 0.00 H ATOM 1100 H GLU A 105 -2.284 0.578 5.484 1.00 0.00 H ATOM 1101 N PHE A 106 0.184 -1.041 4.037 1.00 0.18 N ATOM 1102 CA PHE A 106 1.253 -1.997 3.790 1.00 0.17 C ATOM 1103 C PHE A 106 0.684 -3.307 3.274 1.00 0.18 C ATOM 1104 O PHE A 106 1.305 -3.971 2.447 1.00 0.23 O ATOM 1105 CB PHE A 106 2.080 -2.253 5.054 1.00 0.18 C ATOM 1106 CG PHE A 106 3.187 -3.247 4.849 1.00 0.24 C ATOM 1107 CD1 PHE A 106 4.346 -2.890 4.179 1.00 0.35 C ATOM 1108 CD2 PHE A 106 3.065 -4.543 5.323 1.00 0.33 C ATOM 1109 CE1 PHE A 106 5.360 -3.806 3.983 1.00 0.42 C ATOM 1110 CE2 PHE A 106 4.076 -5.464 5.133 1.00 0.42 C ATOM 1111 CZ PHE A 106 5.225 -5.096 4.461 1.00 0.42 C ATOM 1112 HA PHE A 106 1.910 -1.567 3.034 1.00 0.00 H ATOM 1113 HB2 PHE A 106 2.518 -1.309 5.378 1.00 0.00 H ATOM 1114 HB3 PHE A 106 1.416 -2.630 5.832 1.00 0.00 H ATOM 1115 HD2 PHE A 106 2.160 -4.839 5.853 1.00 0.00 H ATOM 1116 HE2 PHE A 106 3.967 -6.480 5.513 1.00 0.00 H ATOM 1117 HZ PHE A 106 6.024 -5.821 4.308 1.00 0.00 H ATOM 1118 HE1 PHE A 106 6.266 -3.513 3.452 1.00 0.00 H ATOM 1119 HD1 PHE A 106 4.459 -1.873 3.802 1.00 0.00 H ATOM 1120 H PHE A 106 -0.019 -0.744 5.013 1.00 0.00 H ATOM 1121 N ALA A 107 -0.495 -3.678 3.763 1.00 0.18 N ATOM 1122 CA ALA A 107 -1.167 -4.867 3.264 1.00 0.19 C ATOM 1123 C ALA A 107 -1.460 -4.724 1.774 1.00 0.18 C ATOM 1124 O ALA A 107 -1.298 -5.672 1.004 1.00 0.22 O ATOM 1125 CB ALA A 107 -2.449 -5.129 4.039 1.00 0.21 C ATOM 1126 HA ALA A 107 -0.505 -5.721 3.407 1.00 0.00 H ATOM 1127 HB1 ALA A 107 -2.212 -5.275 5.093 1.00 0.00 H ATOM 1128 HB2 ALA A 107 -3.118 -4.275 3.931 1.00 0.00 H ATOM 1129 HB3 ALA A 107 -2.933 -6.023 3.647 1.00 0.00 H ATOM 1130 H ALA A 107 -0.942 -3.111 4.511 1.00 0.00 H ATOM 1131 N LEU A 108 -1.875 -3.527 1.369 1.00 0.17 N ATOM 1132 CA LEU A 108 -2.163 -3.255 -0.034 1.00 0.19 C ATOM 1133 C LEU A 108 -0.881 -3.326 -0.855 1.00 0.20 C ATOM 1134 O LEU A 108 -0.827 -4.010 -1.884 1.00 0.23 O ATOM 1135 CB LEU A 108 -2.828 -1.882 -0.177 1.00 0.23 C ATOM 1136 CG LEU A 108 -3.496 -1.595 -1.529 1.00 0.32 C ATOM 1137 CD1 LEU A 108 -4.488 -0.461 -1.387 1.00 1.33 C ATOM 1138 CD2 LEU A 108 -2.470 -1.235 -2.586 1.00 1.14 C ATOM 1139 HA LEU A 108 -2.852 -4.011 -0.411 1.00 0.00 H ATOM 1140 HB2 LEU A 108 -3.591 -1.799 0.597 1.00 0.00 H ATOM 1141 HB3 LEU A 108 -2.063 -1.122 -0.015 1.00 0.00 H ATOM 1142 HG LEU A 108 -4.013 -2.501 -1.844 1.00 0.00 H ATOM 1143 HD21 LEU A 108 -1.924 -0.345 -2.273 1.00 0.00 H ATOM 1144 HD22 LEU A 108 -1.774 -2.064 -2.712 1.00 0.00 H ATOM 1145 HD23 LEU A 108 -2.977 -1.038 -3.531 1.00 0.00 H ATOM 1146 HD11 LEU A 108 -5.252 -0.737 -0.661 1.00 0.00 H ATOM 1147 HD12 LEU A 108 -3.968 0.434 -1.046 1.00 0.00 H ATOM 1148 HD13 LEU A 108 -4.956 -0.266 -2.352 1.00 0.00 H ATOM 1149 H LEU A 108 -1.997 -2.768 2.069 1.00 0.00 H ATOM 1150 N ALA A 109 0.149 -2.621 -0.390 1.00 0.23 N ATOM 1151 CA ALA A 109 1.450 -2.627 -1.048 1.00 0.28 C ATOM 1152 C ALA A 109 1.964 -4.051 -1.213 1.00 0.29 C ATOM 1153 O ALA A 109 2.256 -4.488 -2.325 1.00 0.32 O ATOM 1154 CB ALA A 109 2.461 -1.800 -0.260 1.00 0.32 C ATOM 1155 HA ALA A 109 1.326 -2.181 -2.035 1.00 0.00 H ATOM 1156 HB1 ALA A 109 2.109 -0.771 -0.187 1.00 0.00 H ATOM 1157 HB2 ALA A 109 2.571 -2.219 0.740 1.00 0.00 H ATOM 1158 HB3 ALA A 109 3.423 -1.821 -0.772 1.00 0.00 H ATOM 1159 H ALA A 109 0.021 -2.049 0.469 1.00 0.00 H ATOM 1160 N ASN A 110 2.052 -4.765 -0.094 1.00 0.30 N ATOM 1161 CA ASN A 110 2.523 -6.143 -0.070 1.00 0.33 C ATOM 1162 C ASN A 110 1.752 -7.004 -1.057 1.00 0.33 C ATOM 1163 O ASN A 110 2.332 -7.853 -1.733 1.00 0.39 O ATOM 1164 CB ASN A 110 2.378 -6.734 1.333 1.00 0.36 C ATOM 1165 CG ASN A 110 3.587 -7.555 1.739 1.00 0.58 C ATOM 1166 OD1 ASN A 110 3.457 -8.628 2.317 1.00 1.20 O ATOM 1167 ND2 ASN A 110 4.771 -7.026 1.476 1.00 0.71 N ATOM 1168 HA ASN A 110 3.575 -6.135 -0.356 1.00 0.00 H ATOM 1169 HB2 ASN A 110 2.252 -5.919 2.046 1.00 0.00 H ATOM 1170 HB3 ASN A 110 1.496 -7.374 1.355 1.00 0.00 H ATOM 1171 HD22 ASN A 110 4.834 -6.112 0.983 1.00 0.00 H ATOM 1172 HD21 ASN A 110 5.638 -7.524 1.762 1.00 0.00 H ATOM 1173 H ASN A 110 1.772 -4.320 0.803 1.00 0.00 H ATOM 1174 N HIS A 111 0.443 -6.779 -1.145 1.00 0.29 N ATOM 1175 CA HIS A 111 -0.390 -7.523 -2.080 1.00 0.30 C ATOM 1176 C HIS A 111 0.083 -7.283 -3.509 1.00 0.33 C ATOM 1177 O HIS A 111 0.359 -8.229 -4.234 1.00 0.46 O ATOM 1178 CB HIS A 111 -1.870 -7.140 -1.953 1.00 0.26 C ATOM 1179 CG HIS A 111 -2.787 -8.181 -2.534 1.00 0.31 C ATOM 1180 ND1 HIS A 111 -2.970 -9.414 -1.953 1.00 0.46 N ATOM 1181 CD2 HIS A 111 -3.547 -8.186 -3.659 1.00 0.36 C ATOM 1182 CE1 HIS A 111 -3.795 -10.132 -2.685 1.00 0.52 C ATOM 1183 NE2 HIS A 111 -4.165 -9.415 -3.731 1.00 0.45 N ATOM 1184 HA HIS A 111 -0.295 -8.581 -1.835 1.00 0.00 H ATOM 1185 HB2 HIS A 111 -2.109 -7.013 -0.897 1.00 0.00 H ATOM 1186 HB3 HIS A 111 -2.034 -6.198 -2.477 1.00 0.00 H ATOM 1187 HD2 HIS A 111 -3.649 -7.369 -4.373 1.00 0.00 H ATOM 1188 HE1 HIS A 111 -4.119 -11.149 -2.465 1.00 0.00 H ATOM 1189 H HIS A 111 0.007 -6.059 -0.535 1.00 0.00 H ATOM 1190 N LEU A 112 0.192 -6.010 -3.891 1.00 0.27 N ATOM 1191 CA LEU A 112 0.647 -5.638 -5.232 1.00 0.32 C ATOM 1192 C LEU A 112 1.999 -6.275 -5.541 1.00 0.36 C ATOM 1193 O LEU A 112 2.221 -6.793 -6.639 1.00 0.40 O ATOM 1194 CB LEU A 112 0.760 -4.114 -5.362 1.00 0.36 C ATOM 1195 CG LEU A 112 -0.551 -3.333 -5.237 1.00 0.43 C ATOM 1196 CD1 LEU A 112 -0.284 -1.841 -5.348 1.00 0.55 C ATOM 1197 CD2 LEU A 112 -1.542 -3.770 -6.307 1.00 0.52 C ATOM 1198 HA LEU A 112 -0.090 -6.004 -5.946 1.00 0.00 H ATOM 1199 HB2 LEU A 112 1.435 -3.761 -4.582 1.00 0.00 H ATOM 1200 HB3 LEU A 112 1.189 -3.893 -6.339 1.00 0.00 H ATOM 1201 HG LEU A 112 -0.985 -3.543 -4.260 1.00 0.00 H ATOM 1202 HD21 LEU A 112 -1.115 -3.587 -7.293 1.00 0.00 H ATOM 1203 HD22 LEU A 112 -1.753 -4.833 -6.193 1.00 0.00 H ATOM 1204 HD23 LEU A 112 -2.466 -3.202 -6.199 1.00 0.00 H ATOM 1205 HD11 LEU A 112 0.393 -1.534 -4.551 1.00 0.00 H ATOM 1206 HD12 LEU A 112 0.170 -1.625 -6.315 1.00 0.00 H ATOM 1207 HD13 LEU A 112 -1.224 -1.297 -5.257 1.00 0.00 H ATOM 1208 H LEU A 112 -0.054 -5.258 -3.216 1.00 0.00 H ATOM 1209 N ILE A 113 2.889 -6.237 -4.555 1.00 0.39 N ATOM 1210 CA ILE A 113 4.231 -6.788 -4.690 1.00 0.49 C ATOM 1211 C ILE A 113 4.193 -8.268 -5.061 1.00 0.54 C ATOM 1212 O ILE A 113 4.748 -8.690 -6.080 1.00 0.60 O ATOM 1213 CB ILE A 113 5.024 -6.643 -3.373 1.00 0.55 C ATOM 1214 CG1 ILE A 113 5.080 -5.189 -2.915 1.00 0.57 C ATOM 1215 CG2 ILE A 113 6.427 -7.174 -3.551 1.00 0.73 C ATOM 1216 CD1 ILE A 113 5.694 -5.025 -1.538 1.00 0.84 C ATOM 1217 HA ILE A 113 4.720 -6.225 -5.485 1.00 0.00 H ATOM 1218 HB ILE A 113 4.508 -7.223 -2.608 1.00 0.00 H ATOM 1219 HG12 ILE A 113 5.675 -4.622 -3.631 1.00 0.00 H ATOM 1220 HG13 ILE A 113 4.065 -4.792 -2.893 1.00 0.00 H ATOM 1221 HD11 ILE A 113 5.103 -5.580 -0.810 1.00 0.00 H ATOM 1222 HD12 ILE A 113 6.714 -5.409 -1.548 1.00 0.00 H ATOM 1223 HD13 ILE A 113 5.705 -3.969 -1.270 1.00 0.00 H ATOM 1224 HG21 ILE A 113 6.383 -8.227 -3.829 1.00 0.00 H ATOM 1225 HG22 ILE A 113 6.930 -6.610 -4.336 1.00 0.00 H ATOM 1226 HG23 ILE A 113 6.976 -7.066 -2.616 1.00 0.00 H ATOM 1227 H ILE A 113 2.617 -5.797 -3.653 1.00 0.00 H ATOM 1228 N LYS A 114 3.520 -9.051 -4.231 1.00 0.56 N ATOM 1229 CA LYS A 114 3.502 -10.496 -4.390 1.00 0.70 C ATOM 1230 C LYS A 114 2.710 -10.890 -5.630 1.00 0.66 C ATOM 1231 O LYS A 114 3.029 -11.870 -6.299 1.00 0.68 O ATOM 1232 CB LYS A 114 2.920 -11.152 -3.137 1.00 0.86 C ATOM 1233 CG LYS A 114 3.587 -10.691 -1.845 1.00 1.54 C ATOM 1234 CD LYS A 114 5.107 -10.774 -1.916 1.00 2.03 C ATOM 1235 CE LYS A 114 5.753 -10.015 -0.768 1.00 2.96 C ATOM 1236 NZ LYS A 114 7.238 -10.003 -0.864 1.00 3.83 N ATOM 1237 HA LYS A 114 4.525 -10.849 -4.522 1.00 0.00 H ATOM 1238 HB2 LYS A 114 1.858 -10.912 -3.083 1.00 0.00 H ATOM 1239 HB3 LYS A 114 3.043 -12.232 -3.223 1.00 0.00 H ATOM 1240 HG2 LYS A 114 3.301 -9.657 -1.652 1.00 0.00 H ATOM 1241 HG3 LYS A 114 3.239 -11.321 -1.027 1.00 0.00 H ATOM 1242 HD2 LYS A 114 5.409 -11.820 -1.866 1.00 0.00 H ATOM 1243 HD3 LYS A 114 5.443 -10.345 -2.860 1.00 0.00 H ATOM 1244 HE2 LYS A 114 5.466 -10.488 0.171 1.00 0.00 H ATOM 1245 HE3 LYS A 114 5.392 -8.986 -0.780 1.00 0.00 H ATOM 1246 HZ1 LYS A 114 7.593 -10.980 -0.845 1.00 0.00 H ATOM 1247 HZ2 LYS A 114 7.523 -9.546 -1.754 1.00 0.00 H ATOM 1248 HZ3 LYS A 114 7.632 -9.474 -0.060 1.00 0.00 H ATOM 1249 H LYS A 114 2.991 -8.621 -3.446 1.00 0.00 H ATOM 1250 N VAL A 115 1.685 -10.108 -5.935 1.00 0.64 N ATOM 1251 CA VAL A 115 0.912 -10.288 -7.161 1.00 0.70 C ATOM 1252 C VAL A 115 1.794 -10.064 -8.395 1.00 0.71 C ATOM 1253 O VAL A 115 1.620 -10.726 -9.424 1.00 0.82 O ATOM 1254 CB VAL A 115 -0.314 -9.342 -7.183 1.00 0.80 C ATOM 1255 CG1 VAL A 115 -0.978 -9.307 -8.546 1.00 1.19 C ATOM 1256 CG2 VAL A 115 -1.324 -9.775 -6.137 1.00 1.07 C ATOM 1257 HA VAL A 115 0.547 -11.315 -7.185 1.00 0.00 H ATOM 1258 HB VAL A 115 0.045 -8.338 -6.959 1.00 0.00 H ATOM 1259 HG11 VAL A 115 -0.262 -8.955 -9.289 1.00 0.00 H ATOM 1260 HG12 VAL A 115 -1.315 -10.309 -8.810 1.00 0.00 H ATOM 1261 HG13 VAL A 115 -1.833 -8.631 -8.515 1.00 0.00 H ATOM 1262 HG21 VAL A 115 -1.652 -10.792 -6.350 1.00 0.00 H ATOM 1263 HG22 VAL A 115 -0.861 -9.740 -5.151 1.00 0.00 H ATOM 1264 HG23 VAL A 115 -2.182 -9.103 -6.162 1.00 0.00 H ATOM 1265 H VAL A 115 1.423 -9.343 -5.281 1.00 0.00 H ATOM 1266 N LYS A 116 2.755 -9.152 -8.290 1.00 0.65 N ATOM 1267 CA LYS A 116 3.733 -8.975 -9.357 1.00 0.73 C ATOM 1268 C LYS A 116 4.642 -10.195 -9.445 1.00 0.76 C ATOM 1269 O LYS A 116 5.024 -10.612 -10.537 1.00 0.90 O ATOM 1270 CB LYS A 116 4.584 -7.720 -9.153 1.00 0.72 C ATOM 1271 CG LYS A 116 3.831 -6.411 -9.351 1.00 0.95 C ATOM 1272 CD LYS A 116 3.269 -6.260 -10.764 1.00 0.93 C ATOM 1273 CE LYS A 116 4.360 -6.158 -11.830 1.00 1.06 C ATOM 1274 NZ LYS A 116 4.815 -7.492 -12.315 1.00 1.32 N ATOM 1275 HA LYS A 116 3.177 -8.858 -10.287 1.00 0.00 H ATOM 1276 HB2 LYS A 116 4.979 -7.737 -8.137 1.00 0.00 H ATOM 1277 HB3 LYS A 116 5.411 -7.749 -9.863 1.00 0.00 H ATOM 1278 HG2 LYS A 116 3.005 -6.373 -8.641 1.00 0.00 H ATOM 1279 HG3 LYS A 116 4.513 -5.583 -9.157 1.00 0.00 H ATOM 1280 HD2 LYS A 116 2.646 -7.127 -10.985 1.00 0.00 H ATOM 1281 HD3 LYS A 116 2.660 -5.357 -10.802 1.00 0.00 H ATOM 1282 HE2 LYS A 116 5.214 -5.630 -11.406 1.00 0.00 H ATOM 1283 HE3 LYS A 116 3.969 -5.593 -12.677 1.00 0.00 H ATOM 1284 HZ1 LYS A 116 5.198 -8.038 -11.517 1.00 0.00 H ATOM 1285 HZ2 LYS A 116 4.009 -8.002 -12.730 1.00 0.00 H ATOM 1286 HZ3 LYS A 116 5.554 -7.364 -13.035 1.00 0.00 H ATOM 1287 H LYS A 116 2.810 -8.558 -7.438 1.00 0.00 H ATOM 1288 N LEU A 117 4.977 -10.762 -8.290 1.00 0.67 N ATOM 1289 CA LEU A 117 5.796 -11.972 -8.236 1.00 0.74 C ATOM 1290 C LEU A 117 5.030 -13.163 -8.806 1.00 0.78 C ATOM 1291 O LEU A 117 5.625 -14.108 -9.319 1.00 0.85 O ATOM 1292 CB LEU A 117 6.231 -12.270 -6.795 1.00 0.74 C ATOM 1293 CG LEU A 117 7.127 -11.209 -6.150 1.00 0.79 C ATOM 1294 CD1 LEU A 117 7.432 -11.574 -4.705 1.00 0.90 C ATOM 1295 CD2 LEU A 117 8.419 -11.053 -6.938 1.00 0.96 C ATOM 1296 HA LEU A 117 6.687 -11.804 -8.841 1.00 0.00 H ATOM 1297 HB2 LEU A 117 5.333 -12.369 -6.185 1.00 0.00 H ATOM 1298 HB3 LEU A 117 6.774 -13.215 -6.795 1.00 0.00 H ATOM 1299 HG LEU A 117 6.595 -10.258 -6.162 1.00 0.00 H ATOM 1300 HD21 LEU A 117 8.951 -12.004 -6.954 1.00 0.00 H ATOM 1301 HD22 LEU A 117 8.186 -10.748 -7.958 1.00 0.00 H ATOM 1302 HD23 LEU A 117 9.043 -10.295 -6.464 1.00 0.00 H ATOM 1303 HD11 LEU A 117 6.500 -11.639 -4.144 1.00 0.00 H ATOM 1304 HD12 LEU A 117 7.944 -12.536 -4.675 1.00 0.00 H ATOM 1305 HD13 LEU A 117 8.070 -10.807 -4.265 1.00 0.00 H ATOM 1306 H LEU A 117 4.648 -10.333 -7.401 1.00 0.00 H ATOM 1307 N GLU A 118 3.705 -13.107 -8.707 1.00 0.78 N ATOM 1308 CA GLU A 118 2.837 -14.115 -9.303 1.00 0.90 C ATOM 1309 C GLU A 118 2.942 -14.102 -10.826 1.00 1.00 C ATOM 1310 O GLU A 118 2.621 -15.085 -11.491 1.00 1.17 O ATOM 1311 CB GLU A 118 1.381 -13.862 -8.917 1.00 0.95 C ATOM 1312 CG GLU A 118 1.018 -14.201 -7.484 1.00 1.31 C ATOM 1313 CD GLU A 118 -0.469 -14.037 -7.243 1.00 1.52 C ATOM 1314 OE1 GLU A 118 -1.269 -14.586 -8.025 1.00 2.18 O ATOM 1315 OE2 GLU A 118 -0.834 -13.348 -6.261 1.00 1.90 O ATOM 1316 HA GLU A 118 3.161 -15.085 -8.926 1.00 0.00 H ATOM 1317 HB2 GLU A 118 1.170 -12.805 -9.076 1.00 0.00 H ATOM 1318 HB3 GLU A 118 0.750 -14.460 -9.574 1.00 0.00 H ATOM 1319 HG2 GLU A 118 1.300 -15.234 -7.280 1.00 0.00 H ATOM 1320 HG3 GLU A 118 1.563 -13.538 -6.812 1.00 0.00 H ATOM 1321 H GLU A 118 3.273 -12.317 -8.186 1.00 0.00 H ATOM 1322 N GLY A 119 3.376 -12.977 -11.373 1.00 0.95 N ATOM 1323 CA GLY A 119 3.447 -12.842 -12.810 1.00 1.06 C ATOM 1324 C GLY A 119 2.351 -11.944 -13.347 1.00 1.06 C ATOM 1325 O GLY A 119 2.124 -11.885 -14.556 1.00 1.16 O ATOM 1326 HA3 GLY A 119 3.348 -13.829 -13.262 1.00 0.00 H ATOM 1327 HA2 GLY A 119 4.414 -12.417 -13.077 1.00 0.00 H ATOM 1328 H GLY A 119 3.668 -12.186 -10.765 1.00 0.00 H ATOM 1329 N HIS A 120 1.659 -11.258 -12.443 1.00 0.96 N ATOM 1330 CA HIS A 120 0.614 -10.313 -12.835 1.00 0.97 C ATOM 1331 C HIS A 120 1.233 -8.939 -13.059 1.00 0.94 C ATOM 1332 O HIS A 120 2.328 -8.661 -12.560 1.00 0.95 O ATOM 1333 CB HIS A 120 -0.474 -10.184 -11.755 1.00 0.94 C ATOM 1334 CG HIS A 120 -1.168 -11.456 -11.355 1.00 1.40 C ATOM 1335 ND1 HIS A 120 -2.521 -11.521 -11.120 1.00 1.80 N ATOM 1336 CD2 HIS A 120 -0.685 -12.683 -11.064 1.00 1.83 C ATOM 1337 CE1 HIS A 120 -2.837 -12.729 -10.700 1.00 2.36 C ATOM 1338 NE2 HIS A 120 -1.740 -13.462 -10.649 1.00 2.42 N ATOM 1339 HA HIS A 120 0.155 -10.690 -13.749 1.00 0.00 H ATOM 1340 HB2 HIS A 120 -0.009 -9.764 -10.863 1.00 0.00 H ATOM 1341 HB3 HIS A 120 -1.232 -9.494 -12.127 1.00 0.00 H ATOM 1342 HD2 HIS A 120 0.355 -13.000 -11.144 1.00 0.00 H ATOM 1343 HE1 HIS A 120 -3.839 -13.068 -10.438 1.00 0.00 H ATOM 1344 H HIS A 120 1.866 -11.397 -11.433 1.00 0.00 H ATOM 1345 N GLU A 121 0.551 -8.079 -13.807 1.00 1.03 N ATOM 1346 CA GLU A 121 1.002 -6.703 -13.972 1.00 1.05 C ATOM 1347 C GLU A 121 0.008 -5.740 -13.330 1.00 0.98 C ATOM 1348 O GLU A 121 -1.128 -6.113 -13.039 1.00 1.14 O ATOM 1349 CB GLU A 121 1.212 -6.361 -15.451 1.00 1.25 C ATOM 1350 CG GLU A 121 2.179 -7.299 -16.149 1.00 1.61 C ATOM 1351 CD GLU A 121 2.832 -6.659 -17.352 1.00 1.79 C ATOM 1352 OE1 GLU A 121 2.112 -6.282 -18.298 1.00 1.77 O ATOM 1353 OE2 GLU A 121 4.075 -6.519 -17.346 1.00 2.53 O ATOM 1354 HA GLU A 121 1.963 -6.598 -13.469 1.00 0.00 H ATOM 1355 HB2 GLU A 121 0.249 -6.414 -15.959 1.00 0.00 H ATOM 1356 HB3 GLU A 121 1.603 -5.346 -15.520 1.00 0.00 H ATOM 1357 HG2 GLU A 121 2.956 -7.591 -15.442 1.00 0.00 H ATOM 1358 HG3 GLU A 121 1.634 -8.185 -16.475 1.00 0.00 H ATOM 1359 H GLU A 121 -0.319 -8.393 -14.283 1.00 0.00 H ATOM 1360 N LEU A 122 0.442 -4.508 -13.100 1.00 0.90 N ATOM 1361 CA LEU A 122 -0.387 -3.521 -12.431 1.00 0.87 C ATOM 1362 C LEU A 122 -0.902 -2.489 -13.428 1.00 0.93 C ATOM 1363 O LEU A 122 -0.158 -2.024 -14.289 1.00 1.02 O ATOM 1364 CB LEU A 122 0.394 -2.817 -11.311 1.00 0.89 C ATOM 1365 CG LEU A 122 1.579 -1.946 -11.759 1.00 1.05 C ATOM 1366 CD1 LEU A 122 1.969 -0.972 -10.659 1.00 1.33 C ATOM 1367 CD2 LEU A 122 2.779 -2.803 -12.138 1.00 1.16 C ATOM 1368 HA LEU A 122 -1.236 -4.043 -11.989 1.00 0.00 H ATOM 1369 HB2 LEU A 122 -0.303 -2.178 -10.769 1.00 0.00 H ATOM 1370 HB3 LEU A 122 0.779 -3.584 -10.640 1.00 0.00 H ATOM 1371 HG LEU A 122 1.264 -1.385 -12.639 1.00 0.00 H ATOM 1372 HD21 LEU A 122 3.088 -3.395 -11.276 1.00 0.00 H ATOM 1373 HD22 LEU A 122 2.505 -3.467 -12.958 1.00 0.00 H ATOM 1374 HD23 LEU A 122 3.600 -2.158 -12.450 1.00 0.00 H ATOM 1375 HD11 LEU A 122 1.121 -0.327 -10.429 1.00 0.00 H ATOM 1376 HD12 LEU A 122 2.255 -1.529 -9.767 1.00 0.00 H ATOM 1377 HD13 LEU A 122 2.809 -0.364 -10.995 1.00 0.00 H ATOM 1378 H LEU A 122 1.400 -4.242 -13.406 1.00 0.00 H ATOM 1379 N PRO A 123 -2.188 -2.132 -13.330 1.00 0.97 N ATOM 1380 CA PRO A 123 -2.799 -1.117 -14.190 1.00 1.06 C ATOM 1381 C PRO A 123 -2.327 0.292 -13.841 1.00 1.07 C ATOM 1382 O PRO A 123 -2.523 1.232 -14.611 1.00 1.18 O ATOM 1383 CB PRO A 123 -4.306 -1.256 -13.920 1.00 1.18 C ATOM 1384 CG PRO A 123 -4.461 -2.509 -13.121 1.00 1.33 C ATOM 1385 CD PRO A 123 -3.162 -2.709 -12.399 1.00 1.02 C ATOM 1386 HA PRO A 123 -2.531 -1.264 -15.236 1.00 0.00 H ATOM 1387 HD3 PRO A 123 -3.156 -2.181 -11.445 1.00 0.00 H ATOM 1388 HD2 PRO A 123 -2.965 -3.767 -12.228 1.00 0.00 H ATOM 1389 HG3 PRO A 123 -4.662 -3.354 -13.779 1.00 0.00 H ATOM 1390 HG2 PRO A 123 -5.278 -2.404 -12.407 1.00 0.00 H ATOM 1391 HB2 PRO A 123 -4.672 -0.398 -13.356 1.00 0.00 H ATOM 1392 HB3 PRO A 123 -4.855 -1.333 -14.859 1.00 0.00 H ATOM 1393 N ALA A 124 -1.713 0.415 -12.662 1.00 1.00 N ATOM 1394 CA ALA A 124 -1.177 1.683 -12.162 1.00 1.07 C ATOM 1395 C ALA A 124 -2.275 2.711 -11.911 1.00 1.11 C ATOM 1396 O ALA A 124 -2.005 3.907 -11.800 1.00 1.25 O ATOM 1397 CB ALA A 124 -0.131 2.243 -13.111 1.00 1.23 C ATOM 1398 HA ALA A 124 -0.702 1.471 -11.204 1.00 0.00 H ATOM 1399 HB1 ALA A 124 0.688 1.530 -13.208 1.00 0.00 H ATOM 1400 HB2 ALA A 124 -0.583 2.415 -14.088 1.00 0.00 H ATOM 1401 HB3 ALA A 124 0.250 3.184 -12.715 1.00 0.00 H ATOM 1402 H ALA A 124 -1.610 -0.433 -12.068 1.00 0.00 H ATOM 1403 N ASP A 125 -3.504 2.241 -11.790 1.00 1.06 N ATOM 1404 CA ASP A 125 -4.619 3.107 -11.438 1.00 1.15 C ATOM 1405 C ASP A 125 -5.366 2.496 -10.264 1.00 1.07 C ATOM 1406 O ASP A 125 -5.344 1.277 -10.081 1.00 1.04 O ATOM 1407 CB ASP A 125 -5.560 3.316 -12.631 1.00 1.24 C ATOM 1408 CG ASP A 125 -6.597 4.390 -12.362 1.00 1.94 C ATOM 1409 OD1 ASP A 125 -6.245 5.585 -12.378 1.00 2.11 O ATOM 1410 OD2 ASP A 125 -7.777 4.043 -12.142 1.00 2.73 O ATOM 1411 HA ASP A 125 -4.233 4.087 -11.157 1.00 0.00 H ATOM 1412 HB2 ASP A 125 -4.968 3.609 -13.498 1.00 0.00 H ATOM 1413 HB3 ASP A 125 -6.073 2.378 -12.843 1.00 0.00 H ATOM 1414 H ASP A 125 -3.678 1.228 -11.950 1.00 0.00 H ATOM 1415 N LEU A 126 -6.003 3.335 -9.465 1.00 1.07 N ATOM 1416 CA LEU A 126 -6.621 2.895 -8.224 1.00 1.02 C ATOM 1417 C LEU A 126 -8.148 2.837 -8.344 1.00 1.10 C ATOM 1418 O LEU A 126 -8.817 3.871 -8.376 1.00 1.20 O ATOM 1419 CB LEU A 126 -6.212 3.849 -7.098 1.00 1.00 C ATOM 1420 CG LEU A 126 -6.628 3.420 -5.694 1.00 0.91 C ATOM 1421 CD1 LEU A 126 -5.960 2.105 -5.317 1.00 1.17 C ATOM 1422 CD2 LEU A 126 -6.275 4.501 -4.687 1.00 1.66 C ATOM 1423 HA LEU A 126 -6.275 1.886 -8.001 1.00 0.00 H ATOM 1424 HB2 LEU A 126 -5.126 3.942 -7.114 1.00 0.00 H ATOM 1425 HB3 LEU A 126 -6.662 4.821 -7.300 1.00 0.00 H ATOM 1426 HG LEU A 126 -7.708 3.272 -5.683 1.00 0.00 H ATOM 1427 HD21 LEU A 126 -5.199 4.673 -4.703 1.00 0.00 H ATOM 1428 HD22 LEU A 126 -6.796 5.422 -4.947 1.00 0.00 H ATOM 1429 HD23 LEU A 126 -6.578 4.180 -3.690 1.00 0.00 H ATOM 1430 HD11 LEU A 126 -6.256 1.332 -6.026 1.00 0.00 H ATOM 1431 HD12 LEU A 126 -4.877 2.228 -5.344 1.00 0.00 H ATOM 1432 HD13 LEU A 126 -6.270 1.817 -4.313 1.00 0.00 H ATOM 1433 H LEU A 126 -6.064 4.338 -9.732 1.00 0.00 H ATOM 1434 N PRO A 127 -8.714 1.622 -8.444 1.00 1.08 N ATOM 1435 CA PRO A 127 -10.162 1.423 -8.450 1.00 1.16 C ATOM 1436 C PRO A 127 -10.757 1.478 -7.037 1.00 1.08 C ATOM 1437 O PRO A 127 -10.066 1.195 -6.054 1.00 0.96 O ATOM 1438 CB PRO A 127 -10.315 0.025 -9.052 1.00 1.17 C ATOM 1439 CG PRO A 127 -9.068 -0.691 -8.662 1.00 1.11 C ATOM 1440 CD PRO A 127 -7.980 0.351 -8.589 1.00 1.03 C ATOM 1441 HA PRO A 127 -10.688 2.199 -9.006 1.00 0.00 H ATOM 1442 HD3 PRO A 127 -7.333 0.177 -7.730 1.00 0.00 H ATOM 1443 HD2 PRO A 127 -7.381 0.351 -9.500 1.00 0.00 H ATOM 1444 HG3 PRO A 127 -8.818 -1.445 -9.408 1.00 0.00 H ATOM 1445 HG2 PRO A 127 -9.197 -1.170 -7.691 1.00 0.00 H ATOM 1446 HB2 PRO A 127 -11.191 -0.477 -8.642 1.00 0.00 H ATOM 1447 HB3 PRO A 127 -10.404 0.081 -10.137 1.00 0.00 H ATOM 1448 N PRO A 128 -12.052 1.822 -6.920 1.00 1.19 N ATOM 1449 CA PRO A 128 -12.725 2.020 -5.621 1.00 1.21 C ATOM 1450 C PRO A 128 -12.657 0.808 -4.683 1.00 1.10 C ATOM 1451 O PRO A 128 -12.719 0.963 -3.465 1.00 1.18 O ATOM 1452 CB PRO A 128 -14.181 2.319 -6.000 1.00 1.37 C ATOM 1453 CG PRO A 128 -14.321 1.897 -7.422 1.00 1.54 C ATOM 1454 CD PRO A 128 -12.965 2.067 -8.045 1.00 1.37 C ATOM 1455 HA PRO A 128 -12.235 2.815 -5.059 1.00 0.00 H ATOM 1456 HD3 PRO A 128 -12.807 1.342 -8.844 1.00 0.00 H ATOM 1457 HD2 PRO A 128 -12.839 3.075 -8.440 1.00 0.00 H ATOM 1458 HG3 PRO A 128 -15.053 2.523 -7.932 1.00 0.00 H ATOM 1459 HG2 PRO A 128 -14.635 0.855 -7.478 1.00 0.00 H ATOM 1460 HB2 PRO A 128 -14.863 1.753 -5.366 1.00 0.00 H ATOM 1461 HB3 PRO A 128 -14.390 3.384 -5.897 1.00 0.00 H ATOM 1462 N HIS A 129 -12.519 -0.398 -5.236 1.00 1.01 N ATOM 1463 CA HIS A 129 -12.460 -1.595 -4.398 1.00 0.97 C ATOM 1464 C HIS A 129 -11.031 -1.880 -3.945 1.00 0.84 C ATOM 1465 O HIS A 129 -10.768 -2.887 -3.291 1.00 0.85 O ATOM 1466 CB HIS A 129 -13.062 -2.818 -5.110 1.00 1.00 C ATOM 1467 CG HIS A 129 -12.284 -3.338 -6.278 1.00 0.91 C ATOM 1468 ND1 HIS A 129 -12.547 -2.974 -7.575 1.00 1.07 N ATOM 1469 CD2 HIS A 129 -11.275 -4.238 -6.340 1.00 0.84 C ATOM 1470 CE1 HIS A 129 -11.737 -3.628 -8.384 1.00 1.02 C ATOM 1471 NE2 HIS A 129 -10.952 -4.406 -7.661 1.00 0.89 N ATOM 1472 HA HIS A 129 -13.065 -1.399 -3.512 1.00 0.00 H ATOM 1473 HB2 HIS A 129 -13.148 -3.622 -4.380 1.00 0.00 H ATOM 1474 HB3 HIS A 129 -14.056 -2.544 -5.465 1.00 0.00 H ATOM 1475 HD2 HIS A 129 -10.805 -4.738 -5.493 1.00 0.00 H ATOM 1476 HE1 HIS A 129 -11.718 -3.541 -9.470 1.00 0.00 H ATOM 1477 H HIS A 129 -12.453 -0.488 -6.270 1.00 0.00 H ATOM 1478 N LEU A 130 -10.111 -0.998 -4.305 1.00 0.79 N ATOM 1479 CA LEU A 130 -8.746 -1.095 -3.815 1.00 0.70 C ATOM 1480 C LEU A 130 -8.440 0.043 -2.854 1.00 0.65 C ATOM 1481 O LEU A 130 -7.496 -0.036 -2.074 1.00 0.61 O ATOM 1482 CB LEU A 130 -7.735 -1.107 -4.967 1.00 0.73 C ATOM 1483 CG LEU A 130 -7.616 -2.437 -5.712 1.00 0.84 C ATOM 1484 CD1 LEU A 130 -6.536 -2.362 -6.780 1.00 1.36 C ATOM 1485 CD2 LEU A 130 -7.316 -3.559 -4.734 1.00 1.29 C ATOM 1486 HA LEU A 130 -8.654 -2.040 -3.280 1.00 0.00 H ATOM 1487 HB2 LEU A 130 -8.032 -0.343 -5.685 1.00 0.00 H ATOM 1488 HB3 LEU A 130 -6.755 -0.859 -4.559 1.00 0.00 H ATOM 1489 HG LEU A 130 -8.567 -2.643 -6.204 1.00 0.00 H ATOM 1490 HD21 LEU A 130 -6.377 -3.351 -4.221 1.00 0.00 H ATOM 1491 HD22 LEU A 130 -8.123 -3.628 -4.004 1.00 0.00 H ATOM 1492 HD23 LEU A 130 -7.234 -4.500 -5.277 1.00 0.00 H ATOM 1493 HD11 LEU A 130 -6.788 -1.579 -7.495 1.00 0.00 H ATOM 1494 HD12 LEU A 130 -5.579 -2.134 -6.311 1.00 0.00 H ATOM 1495 HD13 LEU A 130 -6.470 -3.320 -7.296 1.00 0.00 H ATOM 1496 H LEU A 130 -10.369 -0.223 -4.949 1.00 0.00 H ATOM 1497 N VAL A 131 -9.255 1.091 -2.896 1.00 0.71 N ATOM 1498 CA VAL A 131 -9.073 2.226 -2.005 1.00 0.71 C ATOM 1499 C VAL A 131 -9.554 1.866 -0.603 1.00 0.69 C ATOM 1500 O VAL A 131 -10.707 1.462 -0.422 1.00 0.76 O ATOM 1501 CB VAL A 131 -9.843 3.477 -2.487 1.00 0.76 C ATOM 1502 CG1 VAL A 131 -9.372 4.713 -1.735 1.00 1.19 C ATOM 1503 CG2 VAL A 131 -9.689 3.675 -3.987 1.00 1.28 C ATOM 1504 HA VAL A 131 -8.009 2.461 -1.999 1.00 0.00 H ATOM 1505 HB VAL A 131 -10.901 3.322 -2.277 1.00 0.00 H ATOM 1506 HG11 VAL A 131 -9.548 4.577 -0.668 1.00 0.00 H ATOM 1507 HG12 VAL A 131 -8.307 4.861 -1.913 1.00 0.00 H ATOM 1508 HG13 VAL A 131 -9.925 5.584 -2.087 1.00 0.00 H ATOM 1509 HG21 VAL A 131 -8.634 3.801 -4.229 1.00 0.00 H ATOM 1510 HG22 VAL A 131 -10.081 2.802 -4.510 1.00 0.00 H ATOM 1511 HG23 VAL A 131 -10.242 4.563 -4.294 1.00 0.00 H ATOM 1512 H VAL A 131 -10.039 1.100 -3.580 1.00 0.00 H ATOM 1513 N PRO A 132 -8.668 1.975 0.402 1.00 0.62 N ATOM 1514 CA PRO A 132 -9.018 1.719 1.801 1.00 0.65 C ATOM 1515 C PRO A 132 -10.285 2.464 2.222 1.00 0.77 C ATOM 1516 O PRO A 132 -10.447 3.648 1.915 1.00 0.81 O ATOM 1517 CB PRO A 132 -7.802 2.239 2.570 1.00 0.64 C ATOM 1518 CG PRO A 132 -6.669 2.104 1.616 1.00 0.64 C ATOM 1519 CD PRO A 132 -7.245 2.338 0.245 1.00 0.57 C ATOM 1520 HA PRO A 132 -9.233 0.667 1.987 1.00 0.00 H ATOM 1521 HD3 PRO A 132 -7.139 3.382 -0.049 1.00 0.00 H ATOM 1522 HD2 PRO A 132 -6.760 1.702 -0.495 1.00 0.00 H ATOM 1523 HG3 PRO A 132 -6.238 1.105 1.680 1.00 0.00 H ATOM 1524 HG2 PRO A 132 -5.900 2.845 1.835 1.00 0.00 H ATOM 1525 HB2 PRO A 132 -7.943 3.282 2.855 1.00 0.00 H ATOM 1526 HB3 PRO A 132 -7.626 1.640 3.464 1.00 0.00 H ATOM 1527 N PRO A 133 -11.186 1.779 2.947 1.00 0.88 N ATOM 1528 CA PRO A 133 -12.510 2.307 3.318 1.00 1.03 C ATOM 1529 C PRO A 133 -12.463 3.690 3.969 1.00 1.04 C ATOM 1530 O PRO A 133 -13.336 4.524 3.728 1.00 1.13 O ATOM 1531 CB PRO A 133 -13.059 1.267 4.306 1.00 1.17 C ATOM 1532 CG PRO A 133 -11.905 0.384 4.648 1.00 1.03 C ATOM 1533 CD PRO A 133 -10.987 0.420 3.464 1.00 0.93 C ATOM 1534 HA PRO A 133 -13.130 2.449 2.433 1.00 0.00 H ATOM 1535 HD3 PRO A 133 -9.951 0.260 3.764 1.00 0.00 H ATOM 1536 HD2 PRO A 133 -11.269 -0.328 2.724 1.00 0.00 H ATOM 1537 HG3 PRO A 133 -12.249 -0.634 4.830 1.00 0.00 H ATOM 1538 HG2 PRO A 133 -11.393 0.757 5.535 1.00 0.00 H ATOM 1539 HB2 PRO A 133 -13.441 1.758 5.201 1.00 0.00 H ATOM 1540 HB3 PRO A 133 -13.857 0.687 3.843 1.00 0.00 H ATOM 1541 N SER A 134 -11.441 3.937 4.771 1.00 1.02 N ATOM 1542 CA SER A 134 -11.334 5.196 5.497 1.00 1.09 C ATOM 1543 C SER A 134 -10.588 6.266 4.688 1.00 1.09 C ATOM 1544 O SER A 134 -10.389 7.383 5.163 1.00 1.22 O ATOM 1545 CB SER A 134 -10.632 4.954 6.836 1.00 1.14 C ATOM 1546 OG SER A 134 -11.237 3.878 7.540 1.00 1.60 O ATOM 1547 HA SER A 134 -12.342 5.572 5.671 1.00 0.00 H ATOM 1548 HB2 SER A 134 -10.697 5.858 7.442 1.00 0.00 H ATOM 1549 HB3 SER A 134 -9.584 4.716 6.652 1.00 0.00 H ATOM 1550 HG SER A 134 -10.766 3.742 8.400 1.00 0.00 H ATOM 1551 H SER A 134 -10.698 3.218 4.886 1.00 0.00 H ATOM 1552 N LYS A 135 -10.177 5.928 3.467 1.00 0.99 N ATOM 1553 CA LYS A 135 -9.457 6.876 2.622 1.00 1.02 C ATOM 1554 C LYS A 135 -10.208 7.131 1.311 1.00 1.11 C ATOM 1555 O LYS A 135 -9.724 7.860 0.449 1.00 1.21 O ATOM 1556 CB LYS A 135 -8.048 6.357 2.295 1.00 0.89 C ATOM 1557 CG LYS A 135 -7.128 6.168 3.498 1.00 0.90 C ATOM 1558 CD LYS A 135 -5.761 5.659 3.053 1.00 0.67 C ATOM 1559 CE LYS A 135 -4.846 5.320 4.227 1.00 0.66 C ATOM 1560 NZ LYS A 135 -4.328 6.529 4.928 1.00 1.15 N ATOM 1561 HA LYS A 135 -9.381 7.810 3.179 1.00 0.00 H ATOM 1562 HB2 LYS A 135 -8.151 5.394 1.795 1.00 0.00 H ATOM 1563 HB3 LYS A 135 -7.575 7.068 1.618 1.00 0.00 H ATOM 1564 HG2 LYS A 135 -7.006 7.123 4.010 1.00 0.00 H ATOM 1565 HG3 LYS A 135 -7.575 5.446 4.181 1.00 0.00 H ATOM 1566 HD2 LYS A 135 -5.902 4.762 2.451 1.00 0.00 H ATOM 1567 HD3 LYS A 135 -5.282 6.429 2.449 1.00 0.00 H ATOM 1568 HE2 LYS A 135 -3.999 4.745 3.853 1.00 0.00 H ATOM 1569 HE3 LYS A 135 -5.406 4.717 4.942 1.00 0.00 H ATOM 1570 HZ1 LYS A 135 -3.783 7.109 4.259 1.00 0.00 H ATOM 1571 HZ2 LYS A 135 -5.127 7.082 5.298 1.00 0.00 H ATOM 1572 HZ3 LYS A 135 -3.714 6.236 5.714 1.00 0.00 H ATOM 1573 H LYS A 135 -10.373 4.971 3.109 1.00 0.00 H ATOM 1574 N ARG A 136 -11.391 6.540 1.160 1.00 1.14 N ATOM 1575 CA ARG A 136 -12.074 6.551 -0.133 1.00 1.24 C ATOM 1576 C ARG A 136 -13.232 7.546 -0.189 1.00 1.49 C ATOM 1577 O ARG A 136 -13.848 7.872 0.826 1.00 1.58 O ATOM 1578 CB ARG A 136 -12.580 5.149 -0.492 1.00 1.18 C ATOM 1579 CG ARG A 136 -13.576 4.573 0.496 1.00 1.21 C ATOM 1580 CD ARG A 136 -13.949 3.140 0.135 1.00 1.20 C ATOM 1581 NE ARG A 136 -14.913 2.572 1.078 1.00 1.60 N ATOM 1582 CZ ARG A 136 -15.182 1.267 1.187 1.00 1.82 C ATOM 1583 NH1 ARG A 136 -14.536 0.378 0.439 1.00 1.40 N ATOM 1584 NH2 ARG A 136 -16.084 0.855 2.066 1.00 2.76 N ATOM 1585 HA ARG A 136 -11.333 6.874 -0.865 1.00 0.00 H ATOM 1586 HB2 ARG A 136 -13.059 5.199 -1.470 1.00 0.00 H ATOM 1587 HB3 ARG A 136 -11.722 4.479 -0.542 1.00 0.00 H ATOM 1588 HG2 ARG A 136 -13.135 4.585 1.493 1.00 0.00 H ATOM 1589 HG3 ARG A 136 -14.477 5.187 0.491 1.00 0.00 H ATOM 1590 HD2 ARG A 136 -13.047 2.528 0.142 1.00 0.00 H ATOM 1591 HD3 ARG A 136 -14.385 3.130 -0.864 1.00 0.00 H ATOM 1592 HE ARG A 136 -15.423 3.227 1.705 1.00 0.00 H ATOM 1593 HH12 ARG A 136 -14.753 -0.635 0.532 1.00 0.00 H ATOM 1594 HH11 ARG A 136 -13.814 0.695 -0.239 1.00 0.00 H ATOM 1595 HH22 ARG A 136 -16.298 -0.159 2.155 1.00 0.00 H ATOM 1596 HH21 ARG A 136 -16.578 1.546 2.666 1.00 0.00 H ATOM 1597 H ARG A 136 -11.835 6.065 1.971 1.00 0.00 H ATOM 1598 N ARG A 137 -13.492 8.037 -1.397 1.00 1.73 N ATOM 1599 CA ARG A 137 -14.673 8.847 -1.688 1.00 2.03 C ATOM 1600 C ARG A 137 -15.403 8.236 -2.875 1.00 2.43 C ATOM 1601 O ARG A 137 -14.795 7.534 -3.683 1.00 2.60 O ATOM 1602 CB ARG A 137 -14.313 10.292 -2.066 1.00 2.24 C ATOM 1603 CG ARG A 137 -13.552 11.085 -1.020 1.00 2.53 C ATOM 1604 CD ARG A 137 -13.414 12.528 -1.476 1.00 2.87 C ATOM 1605 NE ARG A 137 -12.477 13.302 -0.666 1.00 3.17 N ATOM 1606 CZ ARG A 137 -11.657 14.224 -1.181 1.00 3.83 C ATOM 1607 NH1 ARG A 137 -11.624 14.426 -2.498 1.00 4.17 N ATOM 1608 NH2 ARG A 137 -10.858 14.923 -0.382 1.00 4.54 N ATOM 1609 HA ARG A 137 -15.286 8.864 -0.787 1.00 0.00 H ATOM 1610 HB2 ARG A 137 -13.702 10.258 -2.968 1.00 0.00 H ATOM 1611 HB3 ARG A 137 -15.241 10.823 -2.277 1.00 0.00 H ATOM 1612 HG2 ARG A 137 -14.094 11.053 -0.075 1.00 0.00 H ATOM 1613 HG3 ARG A 137 -12.562 10.651 -0.884 1.00 0.00 H ATOM 1614 HD2 ARG A 137 -14.393 13.003 -1.422 1.00 0.00 H ATOM 1615 HD3 ARG A 137 -13.065 12.533 -2.509 1.00 0.00 H ATOM 1616 HE ARG A 137 -12.446 13.128 0.359 1.00 0.00 H ATOM 1617 HH12 ARG A 137 -10.986 15.143 -2.898 1.00 0.00 H ATOM 1618 HH11 ARG A 137 -12.236 13.866 -3.125 1.00 0.00 H ATOM 1619 HH22 ARG A 137 -10.220 15.640 -0.783 1.00 0.00 H ATOM 1620 HH21 ARG A 137 -10.870 14.753 0.644 1.00 0.00 H ATOM 1621 H ARG A 137 -12.825 7.836 -2.169 1.00 0.00 H ATOM 1622 N HIS A 138 -16.693 8.483 -2.988 1.00 2.88 N ATOM 1623 CA HIS A 138 -17.411 8.104 -4.192 1.00 3.44 C ATOM 1624 C HIS A 138 -18.292 9.247 -4.679 1.00 3.98 C ATOM 1625 O HIS A 138 -19.272 9.612 -4.031 1.00 4.30 O ATOM 1626 CB HIS A 138 -18.242 6.836 -3.984 1.00 3.84 C ATOM 1627 CG HIS A 138 -18.943 6.387 -5.236 1.00 4.52 C ATOM 1628 ND1 HIS A 138 -18.311 6.322 -6.460 1.00 5.25 N ATOM 1629 CD2 HIS A 138 -20.226 6.007 -5.460 1.00 4.95 C ATOM 1630 CE1 HIS A 138 -19.173 5.928 -7.378 1.00 5.95 C ATOM 1631 NE2 HIS A 138 -20.342 5.725 -6.799 1.00 5.77 N ATOM 1632 HA HIS A 138 -16.667 7.887 -4.958 1.00 0.00 H ATOM 1633 HB2 HIS A 138 -17.581 6.037 -3.649 1.00 0.00 H ATOM 1634 HB3 HIS A 138 -18.991 7.032 -3.216 1.00 0.00 H ATOM 1635 HD2 HIS A 138 -21.018 5.938 -4.715 1.00 0.00 H ATOM 1636 HE1 HIS A 138 -18.956 5.793 -8.438 1.00 0.00 H ATOM 1637 H HIS A 138 -17.200 8.952 -2.210 1.00 0.00 H ATOM 1638 N GLU A 139 -17.922 9.814 -5.812 1.00 4.30 N ATOM 1639 CA GLU A 139 -18.708 10.859 -6.440 1.00 4.91 C ATOM 1640 C GLU A 139 -19.367 10.323 -7.700 1.00 5.22 C ATOM 1641 O GLU A 139 -18.673 10.204 -8.726 1.00 5.78 O ATOM 1642 CB GLU A 139 -17.840 12.074 -6.767 1.00 5.38 C ATOM 1643 CG GLU A 139 -17.460 12.894 -5.544 1.00 5.41 C ATOM 1644 CD GLU A 139 -18.673 13.437 -4.813 1.00 5.79 C ATOM 1645 OE1 GLU A 139 -19.535 14.067 -5.459 1.00 6.01 O ATOM 1646 OE2 GLU A 139 -18.778 13.226 -3.586 1.00 6.15 O ATOM 1647 HA GLU A 139 -19.482 11.178 -5.742 1.00 0.00 H ATOM 1648 OXT GLU A 139 -20.575 10.016 -7.651 1.00 5.23 O ATOM 1649 HB2 GLU A 139 -16.926 11.726 -7.247 1.00 0.00 H ATOM 1650 HB3 GLU A 139 -18.389 12.716 -7.456 1.00 0.00 H ATOM 1651 HG2 GLU A 139 -16.893 12.262 -4.861 1.00 0.00 H ATOM 1652 HG3 GLU A 139 -16.839 13.731 -5.863 1.00 0.00 H ATOM 1653 H GLU A 139 -17.041 9.502 -6.268 1.00 0.00 H TER 1654 GLU A 139 HETATM 1655 CA CA A 1 -0.020 6.031 4.117 1.00 0.29 CA HETATM 1656 N PHE A 2 22.182 12.434 5.772 1.00 0.24 N HETATM 1657 CA PHE A 2 20.805 12.585 6.286 1.00 0.07 C HETATM 1658 C PHE A 2 19.794 12.053 5.275 1.00 0.23 C HETATM 1659 O PHE A 2 19.759 12.496 4.126 1.00 -0.39 O HETATM 1660 N PHE A 2 18.986 11.094 5.704 1.00 -0.26 N HETATM 1661 CA PHE A 2 17.970 10.505 4.840 1.00 0.15 C HETATM 1662 C PHE A 2 16.819 11.479 4.597 1.00 0.21 C HETATM 1663 O PHE A 2 16.294 12.091 5.531 1.00 -0.39 O HETATM 1664 N PHE A 2 16.435 11.616 3.334 1.00 -0.26 N HETATM 1665 CA PHE A 2 15.383 12.541 2.943 1.00 0.14 C HETATM 1666 C PHE A 2 14.682 12.026 1.686 1.00 0.21 C HETATM 1667 O PHE A 2 15.336 11.509 0.779 1.00 -0.39 O HETATM 1668 N PHE A 2 13.362 12.150 1.640 1.00 -0.26 N HETATM 1669 CA PHE A 2 12.591 11.672 0.497 1.00 0.13 C HETATM 1670 C PHE A 2 11.841 12.819 -0.177 1.00 0.20 C HETATM 1671 O PHE A 2 11.950 13.973 0.241 1.00 -0.39 O HETATM 1672 N PHE A 2 11.104 12.504 -1.232 1.00 -0.26 N HETATM 1673 CA PHE A 2 10.378 13.516 -1.986 1.00 0.15 C HETATM 1674 C PHE A 2 8.882 13.219 -2.003 1.00 0.21 C HETATM 1675 O PHE A 2 8.062 14.035 -1.577 1.00 -0.39 O HETATM 1676 N PHE A 2 8.544 12.047 -2.512 1.00 -0.26 N HETATM 1677 CA PHE A 2 7.163 11.603 -2.611 1.00 0.16 C HETATM 1678 C PHE A 2 7.080 10.130 -2.249 1.00 0.21 C HETATM 1679 O PHE A 2 6.231 9.390 -2.752 1.00 -0.39 O HETATM 1680 N PHE A 2 7.956 9.720 -1.350 1.00 -0.27 N HETATM 1681 CA PHE A 2 8.114 8.323 -1.051 1.00 0.12 C HETATM 1682 C PHE A 2 9.576 7.945 -1.007 1.00 0.20 C HETATM 1683 O PHE A 2 10.414 8.639 -1.583 1.00 -0.39 O HETATM 1684 N PHE A 2 9.911 6.843 -0.335 1.00 -0.25 N HETATM 1685 CA PHE A 2 11.298 6.398 -0.160 1.00 0.13 C HETATM 1686 C PHE A 2 11.890 5.821 -1.448 1.00 0.20 C HETATM 1687 O PHE A 2 13.041 5.380 -1.474 1.00 -0.39 O HETATM 1688 N PHE A 2 11.080 5.791 -2.500 1.00 -0.26 N HETATM 1689 CA PHE A 2 11.505 5.239 -3.785 1.00 0.14 C HETATM 1690 C PHE A 2 11.747 6.329 -4.830 1.00 0.21 C HETATM 1691 O PHE A 2 12.692 6.242 -5.611 1.00 -0.39 O HETATM 1692 N PHE A 2 10.903 7.352 -4.826 1.00 -0.26 N HETATM 1693 CA PHE A 2 10.895 8.359 -5.883 1.00 0.16 C HETATM 1694 C PHE A 2 11.874 9.498 -5.608 1.00 0.21 C HETATM 1695 O PHE A 2 11.725 10.604 -6.134 1.00 -0.39 O HETATM 1696 N PHE A 2 12.890 9.221 -4.807 1.00 -0.26 N HETATM 1697 CA PHE A 2 13.907 10.212 -4.506 1.00 0.13 C HETATM 1698 C PHE A 2 14.808 10.437 -5.717 1.00 0.20 C HETATM 1699 O PHE A 2 15.115 9.497 -6.453 1.00 -0.39 O HETATM 1700 N PHE A 2 15.217 11.682 -5.925 1.00 -0.27 N HETATM 1701 CA PHE A 2 16.073 12.026 -7.051 1.00 0.09 C HETATM 1702 C PHE A 2 17.537 11.879 -6.662 1.00 0.06 C HETATM 1703 O PHE A 2 18.123 10.810 -6.939 1.00 -0.57 O HETATM 1704 OXT PHE A 2 18.091 12.824 -6.062 1.00 -0.57 O HETATM 1705 CB PHE A 2 15.798 13.458 -7.522 1.00 -0.02 C HETATM 1706 CG PHE A 2 14.346 13.720 -7.891 1.00 -0.04 C HETATM 1707 CD PHE A 2 13.892 12.884 -9.076 1.00 -0.01 C HETATM 1708 CE PHE A 2 12.467 13.232 -9.480 1.00 -0.04 C HETATM 1709 NZ PHE A 2 12.342 14.650 -9.915 1.00 0.22 N HETATM 1710 H86 PHE A 2 11.386 14.839 -10.173 1.00 0.20 H HETATM 1711 H87 PHE A 2 12.943 14.812 -10.708 1.00 0.20 H HETATM 1712 H88 PHE A 2 12.612 15.259 -9.158 1.00 0.20 H HETATM 1713 H84 PHE A 2 11.803 13.065 -8.619 1.00 0.08 H HETATM 1714 H85 PHE A 2 12.163 12.578 -10.310 1.00 0.08 H HETATM 1715 H82 PHE A 2 13.938 11.819 -8.803 1.00 0.03 H HETATM 1716 H83 PHE A 2 14.563 13.073 -9.927 1.00 0.03 H HETATM 1717 H80 PHE A 2 14.232 14.784 -8.145 1.00 0.03 H HETATM 1718 H81 PHE A 2 13.712 13.479 -7.025 1.00 0.03 H HETATM 1719 H78 PHE A 2 16.421 13.657 -8.407 1.00 0.03 H HETATM 1720 H79 PHE A 2 16.079 14.148 -6.713 1.00 0.03 H HETATM 1721 H77 PHE A 2 15.857 11.336 -7.880 1.00 0.07 H HETATM 1722 H76 PHE A 2 14.930 12.402 -5.293 1.00 0.19 H HETATM 1723 CB PHE A 2 14.725 9.779 -3.303 1.00 -0.02 C HETATM 1724 H73 PHE A 2 15.491 10.539 -3.087 1.00 0.03 H HETATM 1725 H74 PHE A 2 15.214 8.817 -3.519 1.00 0.03 H HETATM 1726 H75 PHE A 2 14.064 9.667 -2.431 1.00 0.03 H HETATM 1727 H72 PHE A 2 13.408 11.162 -4.263 1.00 0.08 H HETATM 1728 H71 PHE A 2 12.959 8.310 -4.401 1.00 0.19 H HETATM 1729 CB PHE A 2 9.475 8.924 -6.061 1.00 0.09 C HETATM 1730 OG1 PHE A 2 8.864 9.128 -4.780 1.00 -0.39 O HETATM 1731 H67 PHE A 2 7.988 9.477 -4.900 1.00 0.21 H HETATM 1732 CG2 PHE A 2 8.623 7.982 -6.894 1.00 -0.03 C HETATM 1733 H68 PHE A 2 7.614 8.405 -7.008 1.00 0.03 H HETATM 1734 H69 PHE A 2 8.557 7.006 -6.391 1.00 0.03 H HETATM 1735 H70 PHE A 2 9.081 7.853 -7.886 1.00 0.03 H HETATM 1736 H66 PHE A 2 9.543 9.891 -6.581 1.00 0.06 H HETATM 1737 H65 PHE A 2 11.196 7.870 -6.821 1.00 0.08 H HETATM 1738 H64 PHE A 2 10.250 7.436 -4.073 1.00 0.19 H HETATM 1739 CB PHE A 2 10.458 4.257 -4.313 1.00 0.02 C HETATM 1740 CG PHE A 2 10.152 3.153 -3.350 1.00 -0.04 C HETATM 1741 CD1 PHE A 2 11.140 2.273 -2.943 1.00 -0.06 C HETATM 1742 CE1 PHE A 2 10.852 1.251 -2.064 1.00 -0.07 C HETATM 1743 CZ PHE A 2 9.602 1.119 -1.549 1.00 -0.07 C HETATM 1744 CE2 PHE A 2 8.573 1.968 -1.982 1.00 -0.07 C HETATM 1745 CD2 PHE A 2 8.867 2.990 -2.860 1.00 -0.06 C HETATM 1746 H60 PHE A 2 8.084 3.673 -3.170 1.00 0.06 H HETATM 1747 H62 PHE A 2 7.558 1.823 -1.630 1.00 0.06 H HETATM 1748 H63 PHE A 2 9.400 0.358 -0.804 1.00 0.06 H HETATM 1749 H61 PHE A 2 11.628 0.548 -1.782 1.00 0.06 H HETATM 1750 H59 PHE A 2 12.150 2.389 -3.319 1.00 0.06 H HETATM 1751 H57 PHE A 2 10.833 3.813 -5.247 1.00 0.05 H HETATM 1752 H58 PHE A 2 9.530 4.811 -4.517 1.00 0.05 H HETATM 1753 H56 PHE A 2 12.449 4.696 -3.628 1.00 0.08 H HETATM 1754 H55 PHE A 2 10.153 6.156 -2.410 1.00 0.19 H HETATM 1755 CB PHE A 2 11.176 5.328 0.929 1.00 -0.01 C HETATM 1756 CG PHE A 2 9.809 4.772 0.744 1.00 -0.03 C HETATM 1757 CD PHE A 2 8.955 5.934 0.323 1.00 0.04 C HETATM 1758 H53 PHE A 2 8.172 5.612 -0.379 1.00 0.05 H HETATM 1759 H54 PHE A 2 8.490 6.417 1.195 1.00 0.05 H HETATM 1760 H51 PHE A 2 9.438 4.344 1.687 1.00 0.03 H HETATM 1761 H52 PHE A 2 9.812 3.995 -0.035 1.00 0.03 H HETATM 1762 H49 PHE A 2 11.283 5.775 1.928 1.00 0.03 H HETATM 1763 H50 PHE A 2 11.937 4.545 0.794 1.00 0.03 H HETATM 1764 H48 PHE A 2 11.931 7.231 0.181 1.00 0.08 H HETATM 1765 H46 PHE A 2 7.611 7.729 -1.828 1.00 0.08 H HETATM 1766 H47 PHE A 2 7.657 8.110 -0.073 1.00 0.08 H HETATM 1767 H45 PHE A 2 8.519 10.393 -0.869 1.00 0.19 H HETATM 1768 CB PHE A 2 6.625 11.816 -4.040 1.00 0.09 C HETATM 1769 OG1 PHE A 2 7.669 11.575 -4.993 1.00 -0.39 O HETATM 1770 H41 PHE A 2 7.978 10.681 -4.903 1.00 0.21 H HETATM 1771 CG2 PHE A 2 6.078 13.225 -4.220 1.00 -0.03 C HETATM 1772 H42 PHE A 2 5.703 13.344 -5.247 1.00 0.03 H HETATM 1773 H43 PHE A 2 6.879 13.956 -4.035 1.00 0.03 H HETATM 1774 H44 PHE A 2 5.257 13.393 -3.508 1.00 0.03 H HETATM 1775 H40 PHE A 2 5.810 11.099 -4.217 1.00 0.06 H HETATM 1776 H39 PHE A 2 6.548 12.184 -1.907 1.00 0.08 H HETATM 1777 H38 PHE A 2 9.268 11.441 -2.842 1.00 0.19 H HETATM 1778 CB PHE A 2 10.923 13.581 -3.415 1.00 0.08 C HETATM 1779 OG PHE A 2 10.932 12.295 -4.019 1.00 -0.39 O HETATM 1780 H37 PHE A 2 11.274 12.364 -4.903 1.00 0.21 H HETATM 1781 H35 PHE A 2 11.950 13.973 -3.390 1.00 0.06 H HETATM 1782 H36 PHE A 2 10.288 14.253 -4.011 1.00 0.06 H HETATM 1783 H34 PHE A 2 10.534 14.492 -1.503 1.00 0.08 H HETATM 1784 H33 PHE A 2 11.045 11.547 -1.518 1.00 0.19 H HETATM 1785 CB PHE A 2 11.635 10.543 0.928 1.00 -0.00 C HETATM 1786 CG PHE A 2 10.690 10.897 2.070 1.00 0.00 C HETATM 1787 CD PHE A 2 9.500 11.725 1.627 1.00 0.04 C HETATM 1788 OE1 PHE A 2 8.867 11.357 0.614 1.00 -0.57 O HETATM 1789 OE2 PHE A 2 9.180 12.728 2.301 1.00 -0.57 O HETATM 1790 H31 PHE A 2 11.252 11.468 2.824 1.00 0.04 H HETATM 1791 H32 PHE A 2 10.319 9.964 2.518 1.00 0.04 H HETATM 1792 H29 PHE A 2 12.244 9.683 1.244 1.00 0.03 H HETATM 1793 H30 PHE A 2 11.026 10.261 0.057 1.00 0.03 H HETATM 1794 H28 PHE A 2 13.296 11.255 -0.237 1.00 0.08 H HETATM 1795 H27 PHE A 2 12.885 12.581 2.406 1.00 0.19 H HETATM 1796 CB PHE A 2 15.992 13.929 2.698 1.00 0.02 C HETATM 1797 CG PHE A 2 14.984 15.029 2.424 1.00 -0.05 C HETATM 1798 CD1 PHE A 2 14.226 15.579 3.453 1.00 -0.07 C HETATM 1799 CE1 PHE A 2 13.316 16.590 3.206 1.00 -0.04 C HETATM 1800 CZ PHE A 2 13.157 17.068 1.924 1.00 0.08 C HETATM 1801 CE2 PHE A 2 13.897 16.543 0.887 1.00 -0.04 C HETATM 1802 CD2 PHE A 2 14.804 15.527 1.138 1.00 -0.07 C HETATM 1803 H23 PHE A 2 15.382 15.114 0.320 1.00 0.05 H HETATM 1804 H25 PHE A 2 13.770 16.923 -0.120 1.00 0.05 H HETATM 1805 OH PHE A 2 12.260 18.085 1.681 1.00 -0.34 O HETATM 1806 H26 PHE A 2 11.835 18.332 2.494 1.00 0.25 H HETATM 1807 H24 PHE A 2 12.730 17.005 4.018 1.00 0.05 H HETATM 1808 H22 PHE A 2 14.351 15.209 4.464 1.00 0.05 H HETATM 1809 H20 PHE A 2 16.665 13.859 1.831 1.00 0.05 H HETATM 1810 H21 PHE A 2 16.571 14.210 3.590 1.00 0.05 H HETATM 1811 H19 PHE A 2 14.646 12.613 3.756 1.00 0.08 H HETATM 1812 H18 PHE A 2 16.883 11.066 2.629 1.00 0.19 H HETATM 1813 CB PHE A 2 17.437 9.199 5.442 1.00 0.08 C HETATM 1814 CG PHE A 2 16.427 8.525 4.533 1.00 0.18 C HETATM 1815 OD1 PHE A 2 15.224 8.758 4.637 1.00 -0.40 O HETATM 1816 ND2 PHE A 2 16.913 7.685 3.636 1.00 -0.30 N HETATM 1817 H16 PHE A 2 16.295 7.211 3.009 1.00 0.18 H HETATM 1818 H17 PHE A 2 17.899 7.524 3.584 1.00 0.18 H HETATM 1819 H14 PHE A 2 16.954 9.423 6.405 1.00 0.06 H HETATM 1820 H15 PHE A 2 18.281 8.513 5.606 1.00 0.06 H HETATM 1821 H13 PHE A 2 18.437 10.274 3.871 1.00 0.08 H HETATM 1822 H12 PHE A 2 19.076 10.766 6.644 1.00 0.19 H HETATM 1823 CB PHE A 2 20.528 14.061 6.585 1.00 0.04 C HETATM 1824 CG PHE A 2 19.209 14.316 7.262 1.00 -0.04 C HETATM 1825 CD1 PHE A 2 19.053 14.070 8.619 1.00 -0.06 C HETATM 1826 CE1 PHE A 2 17.845 14.308 9.246 1.00 -0.07 C HETATM 1827 CZ PHE A 2 16.776 14.798 8.520 1.00 -0.07 C HETATM 1828 CE2 PHE A 2 16.920 15.049 7.169 1.00 -0.07 C HETATM 1829 CD2 PHE A 2 18.131 14.808 6.546 1.00 -0.06 C HETATM 1830 H8 PHE A 2 18.237 15.007 5.486 1.00 0.06 H HETATM 1831 H10 PHE A 2 16.084 15.435 6.597 1.00 0.06 H HETATM 1832 H11 PHE A 2 15.827 14.985 9.009 1.00 0.06 H HETATM 1833 H9 PHE A 2 17.736 14.111 10.306 1.00 0.06 H HETATM 1834 H7 PHE A 2 19.889 13.687 9.194 1.00 0.06 H HETATM 1835 H5 PHE A 2 20.540 14.614 5.634 1.00 0.05 H HETATM 1836 H6 PHE A 2 21.329 14.437 7.238 1.00 0.05 H HETATM 1837 H4 PHE A 2 20.709 12.009 7.218 1.00 0.11 H HETATM 1838 H1 PHE A 2 22.835 12.790 6.452 1.00 0.20 H HETATM 1839 H2 PHE A 2 22.278 12.950 4.912 1.00 0.20 H HETATM 1840 H3 PHE A 2 22.372 11.459 5.602 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 935 933 1655 CONECT 996 995 1655 CONECT 1012 1011 1655 CONECT 1655 934 935 996 1012 CONECT 1656 1657 1838 1839 1840 CONECT 1657 1656 1658 1823 1837 CONECT 1658 1657 1659 1660 CONECT 1659 1658 CONECT 1660 1658 1661 1822 CONECT 1661 1660 1662 1813 1821 CONECT 1662 1661 1663 1664 CONECT 1663 1662 CONECT 1664 1662 1665 1812 CONECT 1665 1664 1666 1796 1811 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1795 CONECT 1669 1668 1670 1785 1794 CONECT 1670 1669 1671 1672 CONECT 1671 1670 CONECT 1672 1670 1673 1784 CONECT 1673 1672 1674 1778 1783 CONECT 1674 1673 1675 1676 CONECT 1675 1674 CONECT 1676 1674 1677 1777 CONECT 1677 1676 1678 1768 1776 CONECT 1678 1677 1679 1680 CONECT 1679 1678 CONECT 1680 1678 1681 1767 CONECT 1681 1680 1682 1765 1766 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 CONECT 1766 1681 CONECT 1767 1680 CONECT 1768 1677 1769 1771 1775 CONECT 1769 1768 1770 CONECT 1770 1769 CONECT 1771 1768 1772 1773 1774 CONECT 1772 1771 CONECT 1773 1771 CONECT 1774 1771 CONECT 1775 1768 CONECT 1776 1677 CONECT 1777 1676 CONECT 1778 1673 1779 1781 1782 CONECT 1779 1778 1780 CONECT 1780 1779 CONECT 1781 1778 CONECT 1782 1778 CONECT 1783 1673 CONECT 1784 1672 CONECT 1785 1669 1786 1792 1793 CONECT 1786 1785 1787 1790 1791 CONECT 1787 1786 1788 1789 CONECT 1788 1787 CONECT 1789 1787 CONECT 1790 1786 CONECT 1791 1786 CONECT 1792 1785 CONECT 1793 1785 CONECT 1794 1669 CONECT 1795 1668 CONECT 1796 1665 1797 1809 1810 CONECT 1797 1796 1798 1802 CONECT 1798 1797 1799 1808 CONECT 1799 1798 1800 1807 CONECT 1800 1799 1801 1805 CONECT 1801 1800 1802 1804 CONECT 1802 1797 1801 1803 CONECT 1803 1802 CONECT 1804 1801 CONECT 1805 1800 1806 CONECT 1806 1805 CONECT 1807 1799 CONECT 1808 1798 CONECT 1809 1796 CONECT 1810 1796 CONECT 1811 1665 CONECT 1812 1664 CONECT 1813 1661 1814 1819 1820 CONECT 1814 1813 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 1818 CONECT 1817 1816 CONECT 1818 1816 CONECT 1819 1813 CONECT 1820 1813 CONECT 1821 1661 CONECT 1822 1660 CONECT 1823 1657 1824 1835 1836 CONECT 1824 1823 1825 1829 CONECT 1825 1824 1826 1834 CONECT 1826 1825 1827 1833 CONECT 1827 1826 1828 1832 CONECT 1828 1827 1829 1831 CONECT 1829 1824 1828 1830 CONECT 1830 1829 CONECT 1831 1828 CONECT 1832 1827 CONECT 1833 1826 CONECT 1834 1825 CONECT 1835 1823 CONECT 1836 1823 CONECT 1837 1657 CONECT 1838 1656 CONECT 1839 1656 CONECT 1840 1656 MASTER 0 0 0 0 0 0 0 0 1839 1 194 9 END
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12-mer
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PDBbind
12-mer
6pit
RCSB PDB
PDBbind
12-mer
6peu
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12-mer
6o3x
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PDBbind
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PDBbind
12-mer
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RCSB PDB
PDBbind
12-mer
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PDBbind
12-mer
6k5r
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PDBbind
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PDBbind
12-mer
6hy2
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PDBbind
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PDBbind
12-mer
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PDBbind
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Entry Information
PDB ID
2kfh
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=2.4mM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) Protein Sci. Vol. 18: pp. 2471-2479
Ligand Properties
Formula
C
6
3
H
9
0
N
1
4
O
2
0
Molecular Weight
1363.470
Exact Mass
1362.650
No. of atoms
187
No. of bonds
190
Polar Surface Area
565.2
LOGP Value
-5.98 (
Computed with XLOGP3
)
-2.94 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 20
No. of Rotatable Bonds: 53
No. of Nitrogen and Oxygen Atoms: 34
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)CNC(=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)Cc1ccccc1)C
InChI String
InChI=1S/C63H88N14O20/c1-33(53(86)70-42(63(96)97)17-10-11-25-64)68-62(95)52(35(3)80)76-58(91)44(28-37-15-8-5-9-16-37)73-60(93)47-18-12-26-77(47)49(83)31-67-61(94)51(34(2)79)75-59(92)46(32-78)74-55(88)41(23-24-50(84)85)69-56(89)43(29-38-19-21-39(81)22-20-38)72-57(90)45(30-48(66)82)71-54(87)40(65)27-36-13-6-4-7-14-36/h4-9,13-16,19-22,33-35,40-47,51-52,78-81H,10-12,17-18,23-32,64-65H2,1-3H3,(H2,66,82)(H,67,94)(H,68,95)(H,69,89)(H,70,86)(H,71,87)(H,72,90)(H,73,93)(H,74,88)(H,75,92)(H,76,91)(H,84,85)(H,96,97)/p+2/t33-,34+,35+,40-,41-,42-,43-,44-,45-,46-,47-,51-,52-/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
Q9H4M9
Entrez Gene ID
NCBI Entrez Gene ID:
10938
ASD
Information of known allosteric effects of PDB entries
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