Browse entries in the PDBbind-CN Database
HEADER 3RDV_COMPLEX COMPND 3RDV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 70 ASP PHE ARG VAL GLY GLU ARG VAL TRP VAL ASN GLY ASN SEQRES 2 A 70 LYS PRO GLY PHE ILE GLN PHE LEU GLY GLU THR GLN PHE SEQRES 3 A 70 ALA PRO GLY GLN TRP ALA GLY ILE VAL LEU ASP GLU PRO SEQRES 4 A 70 ILE GLY LYS ASN ASP GLY SER VAL ALA GLY VAL ARG TYR SEQRES 5 A 70 PHE GLN CYS GLU PRO LEU LYS GLY ILE PHE THR ARG PRO SEQRES 6 A 70 SER LYS LEU THR ARG HET ASP A 140 123 ATOM 1 N ASP A 57 2.405 -0.125 -2.593 1.00 46.54 N ATOM 2 CA ASP A 57 2.474 -1.251 -1.664 1.00 41.31 C ATOM 3 C ASP A 57 3.917 -1.548 -1.251 1.00 34.22 C ATOM 4 O ASP A 57 4.357 -1.155 -0.170 1.00 37.56 O ATOM 5 CB ASP A 57 1.841 -2.493 -2.287 1.00 40.50 C ATOM 6 HA ASP A 57 1.917 -0.977 -0.768 1.00 0.00 H ATOM 7 HB2 ASP A 57 0.796 -2.288 -2.521 1.00 0.00 H ATOM 8 HB3 ASP A 57 2.376 -2.752 -3.201 1.00 0.00 H ATOM 9 HN3 ASP A 57 2.954 -0.348 -3.448 1.00 0.00 H ATOM 10 HN2 ASP A 57 2.799 0.723 -2.138 1.00 0.00 H ATOM 11 HN1 ASP A 57 1.413 0.049 -2.852 1.00 0.00 H ATOM 12 N PHE A 58 4.651 -2.226 -2.127 1.00 25.60 N ATOM 13 CA PHE A 58 6.029 -2.623 -1.850 1.00 22.64 C ATOM 14 C PHE A 58 6.972 -1.442 -1.639 1.00 24.31 C ATOM 15 O PHE A 58 6.729 -0.331 -2.117 1.00 26.60 O ATOM 16 CB PHE A 58 6.576 -3.501 -2.977 1.00 21.83 C ATOM 17 CG PHE A 58 5.919 -4.846 -3.077 1.00 24.18 C ATOM 18 CD1 PHE A 58 5.062 -5.134 -4.123 1.00 24.43 C ATOM 19 CD2 PHE A 58 6.161 -5.823 -2.126 1.00 25.88 C ATOM 20 CE1 PHE A 58 4.460 -6.356 -4.219 1.00 24.19 C ATOM 21 CE2 PHE A 58 5.557 -7.059 -2.216 1.00 26.43 C ATOM 22 CZ PHE A 58 4.703 -7.326 -3.270 1.00 23.37 C ATOM 23 HA PHE A 58 5.991 -3.183 -0.915 1.00 0.00 H ATOM 24 HB2 PHE A 58 6.430 -2.977 -3.922 1.00 0.00 H ATOM 25 HB3 PHE A 58 7.642 -3.652 -2.808 1.00 0.00 H ATOM 26 HD2 PHE A 58 6.837 -5.612 -1.297 1.00 0.00 H ATOM 27 HE2 PHE A 58 5.751 -7.821 -1.461 1.00 0.00 H ATOM 28 HZ PHE A 58 4.223 -8.301 -3.350 1.00 0.00 H ATOM 29 HE1 PHE A 58 3.785 -6.565 -5.049 1.00 0.00 H ATOM 30 HD1 PHE A 58 4.864 -4.376 -4.881 1.00 0.00 H ATOM 31 H PHE A 58 4.229 -2.483 -3.042 1.00 0.00 H ATOM 32 N ARG A 59 8.067 -1.689 -0.934 1.00 22.73 N ATOM 33 CA ARG A 59 9.049 -0.641 -0.687 1.00 21.63 C ATOM 34 C ARG A 59 10.467 -1.178 -0.745 1.00 18.50 C ATOM 35 O ARG A 59 10.722 -2.330 -0.394 1.00 17.07 O ATOM 36 CB ARG A 59 8.775 0.038 0.652 1.00 26.93 C ATOM 37 CG ARG A 59 7.494 0.859 0.614 1.00 33.03 C ATOM 38 CD ARG A 59 7.109 1.389 1.971 1.00 38.20 C ATOM 39 NE ARG A 59 5.770 1.987 2.001 1.00 41.96 N ATOM 40 CZ ARG A 59 4.876 1.968 1.010 1.00 42.53 C ATOM 41 NH1 ARG A 59 5.140 1.381 -0.149 1.00 41.82 N ATOM 42 NH2 ARG A 59 3.700 2.558 1.183 1.00 44.48 N ATOM 43 HA ARG A 59 8.953 0.102 -1.479 1.00 0.00 H ATOM 44 HB2 ARG A 59 8.683 -0.726 1.424 1.00 0.00 H ATOM 45 HB3 ARG A 59 9.610 0.696 0.892 1.00 0.00 H ATOM 46 HG2 ARG A 59 7.638 1.701 -0.063 1.00 0.00 H ATOM 47 HG3 ARG A 59 6.686 0.230 0.242 1.00 0.00 H ATOM 48 HD2 ARG A 59 7.834 2.148 2.265 1.00 0.00 H ATOM 49 HD3 ARG A 59 7.137 0.566 2.685 1.00 0.00 H ATOM 50 HE ARG A 59 5.491 2.472 2.878 1.00 0.00 H ATOM 51 HH12 ARG A 59 4.427 1.380 -0.906 1.00 0.00 H ATOM 52 HH11 ARG A 59 6.061 0.922 -0.302 1.00 0.00 H ATOM 53 HH22 ARG A 59 2.996 2.549 0.417 1.00 0.00 H ATOM 54 HH21 ARG A 59 3.482 3.029 2.084 1.00 0.00 H ATOM 55 H ARG A 59 8.227 -2.643 -0.552 1.00 0.00 H ATOM 56 N VAL A 60 11.379 -0.343 -1.216 1.00 15.89 N ATOM 57 CA VAL A 60 12.800 -0.662 -1.207 1.00 15.83 C ATOM 58 C VAL A 60 13.237 -0.992 0.213 1.00 19.00 C ATOM 59 O VAL A 60 12.844 -0.314 1.175 1.00 22.09 O ATOM 60 CB VAL A 60 13.656 0.496 -1.788 1.00 24.64 C ATOM 61 CG1 VAL A 60 15.139 0.212 -1.591 1.00 24.09 C ATOM 62 CG2 VAL A 60 13.354 0.673 -3.257 1.00 28.22 C ATOM 63 HA VAL A 60 12.959 -1.529 -1.848 1.00 0.00 H ATOM 64 HB VAL A 60 13.405 1.415 -1.259 1.00 0.00 H ATOM 65 HG11 VAL A 60 15.350 0.114 -0.526 1.00 0.00 H ATOM 66 HG12 VAL A 60 15.401 -0.714 -2.102 1.00 0.00 H ATOM 67 HG13 VAL A 60 15.723 1.034 -2.004 1.00 0.00 H ATOM 68 HG21 VAL A 60 13.588 -0.249 -3.789 1.00 0.00 H ATOM 69 HG22 VAL A 60 12.297 0.908 -3.384 1.00 0.00 H ATOM 70 HG23 VAL A 60 13.959 1.487 -3.655 1.00 0.00 H ATOM 71 H VAL A 60 11.071 0.571 -1.605 1.00 0.00 H ATOM 72 N GLY A 61 14.033 -2.051 0.340 1.00 16.43 N ATOM 73 CA GLY A 61 14.458 -2.539 1.637 1.00 15.75 C ATOM 74 C GLY A 61 13.642 -3.701 2.185 1.00 15.58 C ATOM 75 O GLY A 61 14.111 -4.404 3.079 1.00 17.14 O ATOM 76 HA3 GLY A 61 14.392 -1.715 2.347 1.00 0.00 H ATOM 77 HA2 GLY A 61 15.495 -2.863 1.553 1.00 0.00 H ATOM 78 H GLY A 61 14.360 -2.543 -0.516 1.00 0.00 H ATOM 79 N GLU A 62 12.436 -3.925 1.650 1.00 12.58 N ATOM 80 CA GLU A 62 11.549 -4.967 2.172 1.00 14.85 C ATOM 81 C GLU A 62 12.055 -6.382 1.921 1.00 14.30 C ATOM 82 O GLU A 62 12.592 -6.697 0.855 1.00 13.40 O ATOM 83 CB GLU A 62 10.126 -4.810 1.619 1.00 21.76 C ATOM 84 CG GLU A 62 9.305 -3.757 2.352 1.00 29.93 C ATOM 85 CD GLU A 62 7.905 -3.569 1.777 1.00 35.73 C ATOM 86 OE1 GLU A 62 7.649 -3.993 0.631 1.00 34.88 O ATOM 87 OE2 GLU A 62 7.059 -2.977 2.477 1.00 43.24 O ATOM 88 HA GLU A 62 11.536 -4.826 3.253 1.00 0.00 H ATOM 89 HB2 GLU A 62 10.192 -4.527 0.568 1.00 0.00 H ATOM 90 HB3 GLU A 62 9.614 -5.769 1.704 1.00 0.00 H ATOM 91 HG2 GLU A 62 9.212 -4.056 3.396 1.00 0.00 H ATOM 92 HG3 GLU A 62 9.833 -2.805 2.294 1.00 0.00 H ATOM 93 H GLU A 62 12.121 -3.346 0.845 1.00 0.00 H ATOM 94 N ARG A 63 11.874 -7.234 2.924 1.00 15.24 N ATOM 95 CA ARG A 63 12.140 -8.662 2.795 1.00 14.96 C ATOM 96 C ARG A 63 11.021 -9.293 1.985 1.00 13.79 C ATOM 97 O ARG A 63 9.836 -9.117 2.300 1.00 15.32 O ATOM 98 CB ARG A 63 12.226 -9.280 4.194 1.00 19.42 C ATOM 99 CG ARG A 63 12.553 -10.765 4.246 1.00 21.56 C ATOM 100 CD ARG A 63 13.952 -11.052 3.742 1.00 19.00 C ATOM 101 NE ARG A 63 14.417 -12.387 4.137 1.00 20.61 N ATOM 102 CZ ARG A 63 15.423 -13.027 3.543 1.00 20.76 C ATOM 103 NH1 ARG A 63 16.057 -12.487 2.508 1.00 15.33 N ATOM 104 NH2 ARG A 63 15.800 -14.214 3.978 1.00 19.36 N ATOM 105 HA ARG A 63 13.086 -8.838 2.282 1.00 0.00 H ATOM 106 HB2 ARG A 63 13.000 -8.748 4.747 1.00 0.00 H ATOM 107 HB3 ARG A 63 11.264 -9.132 4.684 1.00 0.00 H ATOM 108 HG2 ARG A 63 12.472 -11.108 5.277 1.00 0.00 H ATOM 109 HG3 ARG A 63 11.837 -11.306 3.627 1.00 0.00 H ATOM 110 HD2 ARG A 63 14.634 -10.306 4.152 1.00 0.00 H ATOM 111 HD3 ARG A 63 13.955 -10.986 2.654 1.00 0.00 H ATOM 112 HE ARG A 63 13.933 -12.861 4.926 1.00 0.00 H ATOM 113 HH12 ARG A 63 16.841 -12.998 2.054 1.00 0.00 H ATOM 114 HH11 ARG A 63 15.770 -11.553 2.152 1.00 0.00 H ATOM 115 HH22 ARG A 63 16.586 -14.713 3.513 1.00 0.00 H ATOM 116 HH21 ARG A 63 15.312 -14.651 4.786 1.00 0.00 H ATOM 117 H ARG A 63 11.530 -6.869 3.835 1.00 0.00 H ATOM 118 N VAL A 64 11.387 -10.029 0.941 1.00 9.48 N ATOM 119 CA VAL A 64 10.373 -10.633 0.061 1.00 9.05 C ATOM 120 C VAL A 64 10.757 -12.026 -0.430 1.00 12.18 C ATOM 121 O VAL A 64 11.906 -12.428 -0.353 1.00 13.97 O ATOM 122 CB VAL A 64 10.089 -9.734 -1.164 1.00 10.07 C ATOM 123 CG1 VAL A 64 9.498 -8.393 -0.725 1.00 9.20 C ATOM 124 CG2 VAL A 64 11.333 -9.550 -2.017 1.00 10.93 C ATOM 125 HA VAL A 64 9.476 -10.727 0.673 1.00 0.00 H ATOM 126 HB VAL A 64 9.348 -10.235 -1.787 1.00 0.00 H ATOM 127 HG11 VAL A 64 8.564 -8.567 -0.190 1.00 0.00 H ATOM 128 HG12 VAL A 64 10.204 -7.883 -0.069 1.00 0.00 H ATOM 129 HG13 VAL A 64 9.306 -7.777 -1.603 1.00 0.00 H ATOM 130 HG21 VAL A 64 12.116 -9.084 -1.419 1.00 0.00 H ATOM 131 HG22 VAL A 64 11.675 -10.522 -2.372 1.00 0.00 H ATOM 132 HG23 VAL A 64 11.097 -8.913 -2.869 1.00 0.00 H ATOM 133 H VAL A 64 12.397 -10.179 0.744 1.00 0.00 H ATOM 134 N TRP A 65 9.777 -12.758 -0.949 1.00 12.75 N ATOM 135 CA TRP A 65 10.048 -13.980 -1.676 1.00 13.64 C ATOM 136 C TRP A 65 9.666 -13.770 -3.132 1.00 9.86 C ATOM 137 O TRP A 65 8.644 -13.153 -3.427 1.00 13.24 O ATOM 138 CB TRP A 65 9.257 -15.157 -1.064 1.00 17.23 C ATOM 139 CG TRP A 65 9.809 -15.531 0.290 1.00 25.65 C ATOM 140 CD1 TRP A 65 10.534 -16.648 0.600 1.00 28.00 C ATOM 141 CD2 TRP A 65 9.754 -14.747 1.496 1.00 32.30 C ATOM 142 NE1 TRP A 65 10.908 -16.618 1.921 1.00 30.96 N ATOM 143 CE2 TRP A 65 10.438 -15.466 2.495 1.00 33.71 C ATOM 144 CE3 TRP A 65 9.180 -13.514 1.829 1.00 37.15 C ATOM 145 CZ2 TRP A 65 10.560 -14.995 3.807 1.00 36.23 C ATOM 146 CZ3 TRP A 65 9.313 -13.042 3.138 1.00 38.06 C ATOM 147 CH2 TRP A 65 9.993 -13.786 4.106 1.00 36.54 C ATOM 148 HA TRP A 65 11.108 -14.226 -1.610 1.00 0.00 H ATOM 149 HB2 TRP A 65 8.212 -14.867 -0.956 1.00 0.00 H ATOM 150 HB3 TRP A 65 9.327 -16.018 -1.728 1.00 0.00 H ATOM 151 HE1 TRP A 65 11.460 -17.353 2.408 1.00 0.00 H ATOM 152 HD1 TRP A 65 10.780 -17.447 -0.100 1.00 0.00 H ATOM 153 HZ2 TRP A 65 11.089 -15.572 4.566 1.00 0.00 H ATOM 154 HH2 TRP A 65 10.073 -13.395 5.120 1.00 0.00 H ATOM 155 HZ3 TRP A 65 8.880 -12.079 3.408 1.00 0.00 H ATOM 156 HE3 TRP A 65 8.640 -12.933 1.082 1.00 0.00 H ATOM 157 H TRP A 65 8.792 -12.446 -0.830 1.00 0.00 H ATOM 158 N VAL A 66 10.494 -14.260 -4.045 1.00 7.92 N ATOM 159 CA VAL A 66 10.115 -14.299 -5.459 1.00 11.93 C ATOM 160 C VAL A 66 9.489 -15.663 -5.740 1.00 12.41 C ATOM 161 O VAL A 66 10.052 -16.696 -5.362 1.00 12.70 O ATOM 162 CB VAL A 66 11.340 -14.082 -6.383 1.00 15.91 C ATOM 163 CG1 VAL A 66 10.933 -14.155 -7.843 1.00 15.30 C ATOM 164 CG2 VAL A 66 11.996 -12.747 -6.112 1.00 15.63 C ATOM 165 HA VAL A 66 9.408 -13.495 -5.664 1.00 0.00 H ATOM 166 HB VAL A 66 12.055 -14.877 -6.169 1.00 0.00 H ATOM 167 HG11 VAL A 66 10.505 -15.135 -8.051 1.00 0.00 H ATOM 168 HG12 VAL A 66 10.193 -13.382 -8.052 1.00 0.00 H ATOM 169 HG13 VAL A 66 11.810 -14.000 -8.472 1.00 0.00 H ATOM 170 HG21 VAL A 66 11.277 -11.947 -6.291 1.00 0.00 H ATOM 171 HG22 VAL A 66 12.330 -12.712 -5.075 1.00 0.00 H ATOM 172 HG23 VAL A 66 12.852 -12.623 -6.775 1.00 0.00 H ATOM 173 H VAL A 66 11.424 -14.621 -3.753 1.00 0.00 H ATOM 174 N ASN A 67 8.311 -15.670 -6.373 1.00 14.89 N ATOM 175 CA ASN A 67 7.523 -16.898 -6.601 1.00 16.05 C ATOM 176 C ASN A 67 7.277 -17.722 -5.357 1.00 16.45 C ATOM 177 O ASN A 67 7.099 -18.947 -5.422 1.00 16.41 O ATOM 178 CB ASN A 67 8.146 -17.767 -7.679 1.00 19.53 C ATOM 179 CG ASN A 67 8.212 -17.067 -8.998 1.00 26.92 C ATOM 180 OD1 ASN A 67 7.420 -16.162 -9.264 1.00 29.60 O ATOM 181 ND2 ASN A 67 9.151 -17.477 -9.845 1.00 28.69 N ATOM 182 HA ASN A 67 6.548 -16.542 -6.934 1.00 0.00 H ATOM 183 HB2 ASN A 67 9.157 -18.036 -7.373 1.00 0.00 H ATOM 184 HB3 ASN A 67 7.548 -18.672 -7.791 1.00 0.00 H ATOM 185 HD22 ASN A 67 9.796 -18.246 -9.573 1.00 0.00 H ATOM 186 HD21 ASN A 67 9.240 -17.029 -10.779 1.00 0.00 H ATOM 187 H ASN A 67 7.931 -14.767 -6.722 1.00 0.00 H ATOM 188 N GLY A 68 7.279 -17.041 -4.219 1.00 16.13 N ATOM 189 CA GLY A 68 6.956 -17.674 -2.961 1.00 15.32 C ATOM 190 C GLY A 68 8.070 -18.510 -2.372 1.00 16.41 C ATOM 191 O GLY A 68 7.910 -19.038 -1.282 1.00 18.60 O ATOM 192 HA3 GLY A 68 6.092 -18.320 -3.117 1.00 0.00 H ATOM 193 HA2 GLY A 68 6.700 -16.894 -2.244 1.00 0.00 H ATOM 194 H GLY A 68 7.518 -16.029 -4.232 1.00 0.00 H ATOM 195 N ASN A 69 9.183 -18.676 -3.071 1.00 10.84 N ATOM 196 CA ASN A 69 10.219 -19.555 -2.514 1.00 13.65 C ATOM 197 C ASN A 69 11.672 -19.128 -2.727 1.00 15.72 C ATOM 198 O ASN A 69 12.602 -19.862 -2.370 1.00 19.65 O ATOM 199 CB ASN A 69 10.034 -20.972 -3.036 1.00 12.13 C ATOM 200 CG ASN A 69 10.267 -21.066 -4.517 1.00 15.23 C ATOM 201 OD1 ASN A 69 10.700 -20.084 -5.161 1.00 16.38 O ATOM 202 ND2 ASN A 69 10.002 -22.243 -5.081 1.00 13.77 N ATOM 203 HA ASN A 69 10.065 -19.488 -1.437 1.00 0.00 H ATOM 204 HB2 ASN A 69 10.739 -21.629 -2.527 1.00 0.00 H ATOM 205 HB3 ASN A 69 9.016 -21.296 -2.819 1.00 0.00 H ATOM 206 HD22 ASN A 69 9.643 -23.028 -4.501 1.00 0.00 H ATOM 207 HD21 ASN A 69 10.154 -22.377 -6.101 1.00 0.00 H ATOM 208 H ASN A 69 9.319 -18.199 -3.985 1.00 0.00 H ATOM 209 N LYS A 70 11.887 -17.958 -3.325 1.00 12.74 N ATOM 210 CA LYS A 70 13.243 -17.447 -3.428 1.00 14.64 C ATOM 211 C LYS A 70 13.360 -16.195 -2.576 1.00 10.05 C ATOM 212 O LYS A 70 12.893 -15.139 -2.982 1.00 10.72 O ATOM 213 CB LYS A 70 13.586 -17.127 -4.881 1.00 18.86 C ATOM 214 CG LYS A 70 13.480 -18.321 -5.826 1.00 20.45 C ATOM 215 CD LYS A 70 14.123 -19.564 -5.220 1.00 26.63 C ATOM 216 CE LYS A 70 14.029 -20.776 -6.147 1.00 33.57 C ATOM 217 NZ LYS A 70 12.633 -21.021 -6.620 1.00 34.08 N ATOM 218 HA LYS A 70 13.943 -18.203 -3.073 1.00 0.00 H ATOM 219 HB2 LYS A 70 12.904 -16.352 -5.231 1.00 0.00 H ATOM 220 HB3 LYS A 70 14.609 -16.752 -4.917 1.00 0.00 H ATOM 221 HG2 LYS A 70 12.428 -18.525 -6.024 1.00 0.00 H ATOM 222 HG3 LYS A 70 13.984 -18.080 -6.762 1.00 0.00 H ATOM 223 HD2 LYS A 70 15.174 -19.354 -5.022 1.00 0.00 H ATOM 224 HD3 LYS A 70 13.618 -19.799 -4.283 1.00 0.00 H ATOM 225 HE2 LYS A 70 14.377 -21.658 -5.608 1.00 0.00 H ATOM 226 HE3 LYS A 70 14.668 -20.606 -7.013 1.00 0.00 H ATOM 227 HZ1 LYS A 70 12.016 -21.193 -5.801 1.00 0.00 H ATOM 228 HZ2 LYS A 70 12.294 -20.188 -7.142 1.00 0.00 H ATOM 229 HZ3 LYS A 70 12.621 -21.852 -7.245 1.00 0.00 H ATOM 230 H LYS A 70 11.091 -17.414 -3.715 1.00 0.00 H ATOM 231 N PRO A 71 13.988 -16.302 -1.399 1.00 15.72 N ATOM 232 CA PRO A 71 14.093 -15.124 -0.523 1.00 15.41 C ATOM 233 C PRO A 71 15.085 -14.070 -0.977 1.00 13.54 C ATOM 234 O PRO A 71 16.115 -14.414 -1.557 1.00 15.23 O ATOM 235 CB PRO A 71 14.592 -15.717 0.799 1.00 13.27 C ATOM 236 CG PRO A 71 15.310 -16.950 0.409 1.00 17.18 C ATOM 237 CD PRO A 71 14.551 -17.511 -0.766 1.00 13.17 C ATOM 238 HA PRO A 71 13.135 -14.605 -0.489 1.00 0.00 H ATOM 239 HD3 PRO A 71 15.217 -18.038 -1.449 1.00 0.00 H ATOM 240 HD2 PRO A 71 13.761 -18.187 -0.437 1.00 0.00 H ATOM 241 HG3 PRO A 71 15.316 -17.663 1.233 1.00 0.00 H ATOM 242 HG2 PRO A 71 16.336 -16.718 0.123 1.00 0.00 H ATOM 243 HB2 PRO A 71 15.265 -15.023 1.303 1.00 0.00 H ATOM 244 HB3 PRO A 71 13.755 -15.951 1.456 1.00 0.00 H ATOM 245 N GLY A 72 14.761 -12.800 -0.735 1.00 14.43 N ATOM 246 CA GLY A 72 15.663 -11.690 -1.028 1.00 11.81 C ATOM 247 C GLY A 72 15.166 -10.383 -0.436 1.00 9.81 C ATOM 248 O GLY A 72 14.304 -10.410 0.457 1.00 12.46 O ATOM 249 HA3 GLY A 72 15.745 -11.579 -2.109 1.00 0.00 H ATOM 250 HA2 GLY A 72 16.645 -11.915 -0.612 1.00 0.00 H ATOM 251 H GLY A 72 13.830 -12.592 -0.322 1.00 0.00 H ATOM 252 N PHE A 73 15.717 -9.252 -0.912 1.00 9.14 N ATOM 253 CA PHE A 73 15.273 -7.938 -0.481 1.00 8.85 C ATOM 254 C PHE A 73 15.055 -7.066 -1.679 1.00 9.61 C ATOM 255 O PHE A 73 15.824 -7.114 -2.636 1.00 8.71 O ATOM 256 CB PHE A 73 16.338 -7.230 0.401 1.00 9.03 C ATOM 257 CG PHE A 73 16.575 -7.903 1.733 1.00 9.27 C ATOM 258 CD1 PHE A 73 17.486 -8.935 1.849 1.00 12.47 C ATOM 259 CD2 PHE A 73 15.914 -7.468 2.868 1.00 11.23 C ATOM 260 CE1 PHE A 73 17.692 -9.583 3.079 1.00 13.21 C ATOM 261 CE2 PHE A 73 16.131 -8.098 4.114 1.00 10.18 C ATOM 262 CZ PHE A 73 17.022 -9.138 4.212 1.00 15.92 C ATOM 263 HA PHE A 73 14.357 -8.082 0.092 1.00 0.00 H ATOM 264 HB2 PHE A 73 17.280 -7.211 -0.147 1.00 0.00 H ATOM 265 HB3 PHE A 73 16.006 -6.208 0.586 1.00 0.00 H ATOM 266 HD2 PHE A 73 15.219 -6.631 2.800 1.00 0.00 H ATOM 267 HE2 PHE A 73 15.591 -7.758 4.998 1.00 0.00 H ATOM 268 HZ PHE A 73 17.203 -9.613 5.176 1.00 0.00 H ATOM 269 HE1 PHE A 73 18.374 -10.431 3.144 1.00 0.00 H ATOM 270 HD1 PHE A 73 18.053 -9.251 0.974 1.00 0.00 H ATOM 271 H PHE A 73 16.485 -9.321 -1.610 1.00 0.00 H ATOM 272 N ILE A 74 14.041 -6.218 -1.603 1.00 8.44 N ATOM 273 CA ILE A 74 13.837 -5.264 -2.683 1.00 8.29 C ATOM 274 C ILE A 74 14.940 -4.196 -2.624 1.00 11.30 C ATOM 275 O ILE A 74 15.174 -3.600 -1.568 1.00 10.99 O ATOM 276 CB ILE A 74 12.446 -4.616 -2.611 1.00 9.30 C ATOM 277 CG1 ILE A 74 11.343 -5.675 -2.702 1.00 9.57 C ATOM 278 CG2 ILE A 74 12.275 -3.609 -3.761 1.00 11.26 C ATOM 279 CD1 ILE A 74 9.937 -5.102 -2.503 1.00 10.87 C ATOM 280 HA ILE A 74 13.891 -5.794 -3.634 1.00 0.00 H ATOM 281 HB ILE A 74 12.363 -4.102 -1.653 1.00 0.00 H ATOM 282 HG12 ILE A 74 11.391 -6.142 -3.686 1.00 0.00 H ATOM 283 HG13 ILE A 74 11.522 -6.428 -1.935 1.00 0.00 H ATOM 284 HD11 ILE A 74 9.870 -4.641 -1.518 1.00 0.00 H ATOM 285 HD12 ILE A 74 9.739 -4.354 -3.270 1.00 0.00 H ATOM 286 HD13 ILE A 74 9.204 -5.905 -2.580 1.00 0.00 H ATOM 287 HG21 ILE A 74 13.037 -2.834 -3.680 1.00 0.00 H ATOM 288 HG22 ILE A 74 12.381 -4.127 -4.714 1.00 0.00 H ATOM 289 HG23 ILE A 74 11.286 -3.155 -3.701 1.00 0.00 H ATOM 290 H ILE A 74 13.400 -6.233 -0.784 1.00 0.00 H ATOM 291 N GLN A 75 15.623 -3.961 -3.751 1.00 11.51 N ATOM 292 CA GLN A 75 16.687 -2.961 -3.808 1.00 9.34 C ATOM 293 C GLN A 75 16.365 -1.877 -4.829 1.00 8.41 C ATOM 294 O GLN A 75 17.034 -0.839 -4.869 1.00 11.75 O ATOM 295 CB GLN A 75 18.043 -3.591 -4.167 1.00 10.54 C ATOM 296 CG GLN A 75 18.605 -4.556 -3.120 1.00 10.46 C ATOM 297 CD GLN A 75 19.003 -3.873 -1.843 1.00 13.92 C ATOM 298 OE1 GLN A 75 18.164 -3.536 -1.002 1.00 21.57 O ATOM 299 NE2 GLN A 75 20.286 -3.658 -1.686 1.00 13.39 N ATOM 300 HA GLN A 75 16.753 -2.521 -2.813 1.00 0.00 H ATOM 301 HB2 GLN A 75 17.925 -4.138 -5.103 1.00 0.00 H ATOM 302 HB3 GLN A 75 18.764 -2.786 -4.307 1.00 0.00 H ATOM 303 HG2 GLN A 75 17.844 -5.303 -2.892 1.00 0.00 H ATOM 304 HG3 GLN A 75 19.482 -5.049 -3.538 1.00 0.00 H ATOM 305 HE22 GLN A 75 20.957 -3.959 -2.421 1.00 0.00 H ATOM 306 HE21 GLN A 75 20.633 -3.186 -0.826 1.00 0.00 H ATOM 307 H GLN A 75 15.391 -4.504 -4.607 1.00 0.00 H ATOM 308 N PHE A 76 15.341 -2.120 -5.641 1.00 9.35 N ATOM 309 CA PHE A 76 14.947 -1.170 -6.676 1.00 7.92 C ATOM 310 C PHE A 76 13.476 -1.364 -7.011 1.00 12.33 C ATOM 311 O PHE A 76 12.989 -2.477 -7.058 1.00 9.13 O ATOM 312 CB PHE A 76 15.809 -1.403 -7.922 1.00 9.10 C ATOM 313 CG PHE A 76 15.349 -0.646 -9.134 1.00 12.17 C ATOM 314 CD1 PHE A 76 15.858 0.607 -9.435 1.00 15.78 C ATOM 315 CD2 PHE A 76 14.403 -1.201 -9.990 1.00 9.63 C ATOM 316 CE1 PHE A 76 15.425 1.295 -10.556 1.00 14.94 C ATOM 317 CE2 PHE A 76 13.966 -0.512 -11.110 1.00 12.10 C ATOM 318 CZ PHE A 76 14.475 0.735 -11.400 1.00 10.75 C ATOM 319 HA PHE A 76 15.095 -0.150 -6.321 1.00 0.00 H ATOM 320 HB2 PHE A 76 16.830 -1.098 -7.694 1.00 0.00 H ATOM 321 HB3 PHE A 76 15.793 -2.467 -8.156 1.00 0.00 H ATOM 322 HD2 PHE A 76 14.000 -2.191 -9.777 1.00 0.00 H ATOM 323 HE2 PHE A 76 13.217 -0.958 -11.764 1.00 0.00 H ATOM 324 HZ PHE A 76 14.135 1.277 -12.283 1.00 0.00 H ATOM 325 HE1 PHE A 76 15.832 2.282 -10.777 1.00 0.00 H ATOM 326 HD1 PHE A 76 16.607 1.056 -8.783 1.00 0.00 H ATOM 327 H PHE A 76 14.809 -3.007 -5.536 1.00 0.00 H ATOM 328 N LEU A 77 12.757 -0.277 -7.227 1.00 13.11 N ATOM 329 CA LEU A 77 11.388 -0.377 -7.680 1.00 12.44 C ATOM 330 C LEU A 77 11.157 0.767 -8.627 1.00 11.06 C ATOM 331 O LEU A 77 11.235 1.925 -8.213 1.00 13.27 O ATOM 332 CB LEU A 77 10.400 -0.221 -6.528 1.00 17.95 C ATOM 333 CG LEU A 77 10.185 -1.396 -5.583 1.00 23.66 C ATOM 334 CD1 LEU A 77 9.387 -0.938 -4.363 1.00 24.21 C ATOM 335 CD2 LEU A 77 9.476 -2.537 -6.328 1.00 23.32 C ATOM 336 HA LEU A 77 11.235 -1.354 -8.139 1.00 0.00 H ATOM 337 HB2 LEU A 77 10.742 0.619 -5.923 1.00 0.00 H ATOM 338 HB3 LEU A 77 9.431 0.020 -6.966 1.00 0.00 H ATOM 339 HG LEU A 77 11.147 -1.771 -5.233 1.00 0.00 H ATOM 340 HD21 LEU A 77 8.511 -2.186 -6.694 1.00 0.00 H ATOM 341 HD22 LEU A 77 10.091 -2.857 -7.169 1.00 0.00 H ATOM 342 HD23 LEU A 77 9.325 -3.375 -5.647 1.00 0.00 H ATOM 343 HD11 LEU A 77 9.937 -0.153 -3.844 1.00 0.00 H ATOM 344 HD12 LEU A 77 8.420 -0.553 -4.687 1.00 0.00 H ATOM 345 HD13 LEU A 77 9.236 -1.783 -3.691 1.00 0.00 H ATOM 346 H LEU A 77 13.180 0.660 -7.070 1.00 0.00 H ATOM 347 N GLY A 78 10.866 0.452 -9.879 1.00 10.17 N ATOM 348 CA GLY A 78 10.495 1.484 -10.834 1.00 10.60 C ATOM 349 C GLY A 78 10.478 1.042 -12.280 1.00 11.93 C ATOM 350 O GLY A 78 10.566 -0.125 -12.593 1.00 13.31 O ATOM 351 HA3 GLY A 78 11.207 2.304 -10.739 1.00 0.00 H ATOM 352 HA2 GLY A 78 9.497 1.839 -10.577 1.00 0.00 H ATOM 353 H GLY A 78 10.903 -0.542 -10.182 1.00 0.00 H ATOM 354 N GLU A 79 10.375 2.017 -13.183 1.00 10.12 N ATOM 355 CA GLU A 79 10.553 1.733 -14.583 1.00 9.82 C ATOM 356 C GLU A 79 12.048 1.595 -14.898 1.00 10.96 C ATOM 357 O GLU A 79 12.907 2.054 -14.129 1.00 12.34 O ATOM 358 CB GLU A 79 9.916 2.860 -15.382 1.00 15.09 C ATOM 359 CG GLU A 79 8.421 3.008 -15.104 1.00 15.66 C ATOM 360 CD GLU A 79 7.874 4.291 -15.722 1.00 26.66 C ATOM 361 OE1 GLU A 79 8.691 5.173 -16.039 1.00 31.78 O ATOM 362 OE2 GLU A 79 6.647 4.418 -15.885 1.00 30.98 O ATOM 363 HA GLU A 79 10.073 0.792 -14.852 1.00 0.00 H ATOM 364 HB2 GLU A 79 10.413 3.795 -15.124 1.00 0.00 H ATOM 365 HB3 GLU A 79 10.055 2.657 -16.444 1.00 0.00 H ATOM 366 HG2 GLU A 79 7.893 2.154 -15.529 1.00 0.00 H ATOM 367 HG3 GLU A 79 8.259 3.034 -14.026 1.00 0.00 H ATOM 368 H GLU A 79 10.165 2.988 -12.875 1.00 0.00 H ATOM 369 N THR A 80 12.345 0.951 -16.021 1.00 13.47 N ATOM 370 CA THR A 80 13.719 0.660 -16.429 1.00 11.01 C ATOM 371 C THR A 80 13.902 0.906 -17.923 1.00 13.12 C ATOM 372 O THR A 80 12.968 1.335 -18.595 1.00 14.55 O ATOM 373 CB THR A 80 14.046 -0.786 -16.170 1.00 11.01 C ATOM 374 OG1 THR A 80 13.243 -1.627 -17.030 1.00 12.08 O ATOM 375 CG2 THR A 80 13.736 -1.122 -14.715 1.00 10.09 C ATOM 376 HA THR A 80 14.375 1.314 -15.854 1.00 0.00 H ATOM 377 HB THR A 80 15.103 -0.958 -16.373 1.00 0.00 H ATOM 378 HG1 THR A 80 13.461 -2.577 -16.857 1.00 0.00 H ATOM 379 HG23 THR A 80 14.338 -0.491 -14.061 1.00 0.00 H ATOM 380 HG21 THR A 80 12.678 -0.944 -14.520 1.00 0.00 H ATOM 381 HG22 THR A 80 13.970 -2.170 -14.528 1.00 0.00 H ATOM 382 H THR A 80 11.567 0.640 -16.637 1.00 0.00 H ATOM 383 N GLN A 81 15.097 0.610 -18.435 1.00 13.10 N ATOM 384 CA GLN A 81 15.416 0.827 -19.848 1.00 13.50 C ATOM 385 C GLN A 81 15.228 -0.445 -20.667 1.00 14.85 C ATOM 386 O GLN A 81 15.196 -0.400 -21.895 1.00 10.62 O ATOM 387 CB GLN A 81 16.870 1.309 -20.012 1.00 13.84 C ATOM 388 CG GLN A 81 17.275 2.489 -19.148 1.00 15.99 C ATOM 389 CD GLN A 81 16.613 3.762 -19.575 1.00 22.03 C ATOM 390 OE1 GLN A 81 16.445 4.018 -20.768 1.00 21.55 O ATOM 391 NE2 GLN A 81 16.222 4.579 -18.604 1.00 26.84 N ATOM 392 HA GLN A 81 14.729 1.590 -20.214 1.00 0.00 H ATOM 393 HB2 GLN A 81 17.529 0.475 -19.770 1.00 0.00 H ATOM 394 HB3 GLN A 81 17.013 1.593 -21.055 1.00 0.00 H ATOM 395 HG2 GLN A 81 16.997 2.279 -18.115 1.00 0.00 H ATOM 396 HG3 GLN A 81 18.356 2.617 -19.213 1.00 0.00 H ATOM 397 HE22 GLN A 81 16.385 4.321 -17.610 1.00 0.00 H ATOM 398 HE21 GLN A 81 15.753 5.477 -18.838 1.00 0.00 H ATOM 399 H GLN A 81 15.827 0.212 -17.810 1.00 0.00 H ATOM 400 N PHE A 82 15.120 -1.587 -19.988 1.00 14.87 N ATOM 401 CA PHE A 82 15.082 -2.885 -20.678 1.00 14.52 C ATOM 402 C PHE A 82 13.699 -3.404 -21.113 1.00 12.97 C ATOM 403 O PHE A 82 13.613 -4.188 -22.048 1.00 16.72 O ATOM 404 CB PHE A 82 15.859 -3.967 -19.900 1.00 13.53 C ATOM 405 CG PHE A 82 15.385 -4.182 -18.491 1.00 14.78 C ATOM 406 CD1 PHE A 82 14.245 -4.924 -18.218 1.00 12.32 C ATOM 407 CD2 PHE A 82 16.111 -3.674 -17.426 1.00 12.62 C ATOM 408 CE1 PHE A 82 13.826 -5.124 -16.916 1.00 9.34 C ATOM 409 CE2 PHE A 82 15.698 -3.883 -16.129 1.00 13.27 C ATOM 410 CZ PHE A 82 14.558 -4.599 -15.870 1.00 11.53 C ATOM 411 HA PHE A 82 15.585 -2.672 -21.621 1.00 0.00 H ATOM 412 HB2 PHE A 82 15.763 -4.909 -20.439 1.00 0.00 H ATOM 413 HB3 PHE A 82 16.908 -3.675 -19.866 1.00 0.00 H ATOM 414 HD2 PHE A 82 17.019 -3.102 -17.617 1.00 0.00 H ATOM 415 HE2 PHE A 82 16.281 -3.476 -15.303 1.00 0.00 H ATOM 416 HZ PHE A 82 14.231 -4.753 -14.842 1.00 0.00 H ATOM 417 HE1 PHE A 82 12.919 -5.695 -16.716 1.00 0.00 H ATOM 418 HD1 PHE A 82 13.673 -5.354 -19.040 1.00 0.00 H ATOM 419 H PHE A 82 15.061 -1.559 -18.950 1.00 0.00 H ATOM 420 N ALA A 83 12.624 -2.948 -20.469 1.00 9.89 N ATOM 421 CA ALA A 83 11.275 -3.407 -20.803 1.00 8.05 C ATOM 422 C ALA A 83 10.285 -2.462 -20.154 1.00 12.11 C ATOM 423 O ALA A 83 10.603 -1.831 -19.163 1.00 14.40 O ATOM 424 CB ALA A 83 11.048 -4.830 -20.271 1.00 10.09 C ATOM 425 HA ALA A 83 11.145 -3.419 -21.885 1.00 0.00 H ATOM 426 HB1 ALA A 83 11.776 -5.505 -20.721 1.00 0.00 H ATOM 427 HB2 ALA A 83 11.168 -4.835 -19.188 1.00 0.00 H ATOM 428 HB3 ALA A 83 10.040 -5.156 -20.528 1.00 0.00 H ATOM 429 H ALA A 83 12.747 -2.248 -19.710 1.00 0.00 H ATOM 430 N PRO A 84 9.078 -2.349 -20.718 1.00 13.88 N ATOM 431 CA PRO A 84 8.069 -1.428 -20.181 1.00 11.55 C ATOM 432 C PRO A 84 7.512 -1.813 -18.811 1.00 12.60 C ATOM 433 O PRO A 84 7.694 -2.942 -18.347 1.00 15.77 O ATOM 434 CB PRO A 84 6.940 -1.479 -21.232 1.00 11.11 C ATOM 435 CG PRO A 84 7.251 -2.588 -22.108 1.00 12.92 C ATOM 436 CD PRO A 84 8.693 -2.891 -22.032 1.00 16.81 C ATOM 437 HA PRO A 84 8.510 -0.444 -20.019 1.00 0.00 H ATOM 438 HD3 PRO A 84 8.871 -3.965 -22.080 1.00 0.00 H ATOM 439 HD2 PRO A 84 9.240 -2.397 -22.835 1.00 0.00 H ATOM 440 HG3 PRO A 84 6.989 -2.325 -23.133 1.00 0.00 H ATOM 441 HG2 PRO A 84 6.679 -3.464 -21.801 1.00 0.00 H ATOM 442 HB2 PRO A 84 5.978 -1.640 -20.746 1.00 0.00 H ATOM 443 HB3 PRO A 84 6.908 -0.548 -21.798 1.00 0.00 H ATOM 444 N GLY A 85 6.822 -0.869 -18.176 1.00 15.59 N ATOM 445 CA GLY A 85 6.099 -1.141 -16.945 1.00 15.34 C ATOM 446 C GLY A 85 6.979 -1.154 -15.705 1.00 15.03 C ATOM 447 O GLY A 85 8.155 -0.754 -15.735 1.00 15.63 O ATOM 448 HA3 GLY A 85 5.619 -2.116 -17.036 1.00 0.00 H ATOM 449 HA2 GLY A 85 5.336 -0.373 -16.817 1.00 0.00 H ATOM 450 H GLY A 85 6.799 0.092 -18.572 1.00 0.00 H ATOM 451 N GLN A 86 6.410 -1.630 -14.601 1.00 15.42 N ATOM 452 CA GLN A 86 7.082 -1.589 -13.313 1.00 13.99 C ATOM 453 C GLN A 86 7.920 -2.830 -13.045 1.00 9.29 C ATOM 454 O GLN A 86 7.500 -3.951 -13.333 1.00 12.20 O ATOM 455 CB GLN A 86 6.064 -1.398 -12.190 1.00 22.12 C ATOM 456 CG GLN A 86 5.282 -0.096 -12.282 1.00 30.09 C ATOM 457 CD GLN A 86 6.146 1.126 -11.966 1.00 37.14 C ATOM 458 OE1 GLN A 86 6.140 2.114 -12.700 1.00 43.87 O ATOM 459 NE2 GLN A 86 6.897 1.056 -10.873 1.00 38.45 N ATOM 460 HA GLN A 86 7.765 -0.740 -13.343 1.00 0.00 H ATOM 461 HB2 GLN A 86 5.357 -2.227 -12.223 1.00 0.00 H ATOM 462 HB3 GLN A 86 6.595 -1.413 -11.238 1.00 0.00 H ATOM 463 HG2 GLN A 86 4.888 0.005 -13.293 1.00 0.00 H ATOM 464 HG3 GLN A 86 4.455 -0.133 -11.573 1.00 0.00 H ATOM 465 HE22 GLN A 86 6.873 0.202 -10.279 1.00 0.00 H ATOM 466 HE21 GLN A 86 7.509 1.855 -10.611 1.00 0.00 H ATOM 467 H GLN A 86 5.457 -2.043 -14.661 1.00 0.00 H ATOM 468 N TRP A 87 9.093 -2.620 -12.456 1.00 10.06 N ATOM 469 CA TRP A 87 10.007 -3.717 -12.126 1.00 10.47 C ATOM 470 C TRP A 87 10.512 -3.618 -10.691 1.00 13.65 C ATOM 471 O TRP A 87 10.735 -2.536 -10.186 1.00 13.15 O ATOM 472 CB TRP A 87 11.211 -3.692 -13.077 1.00 10.47 C ATOM 473 CG TRP A 87 10.825 -4.024 -14.468 1.00 13.15 C ATOM 474 CD1 TRP A 87 10.523 -3.160 -15.482 1.00 12.49 C ATOM 475 CD2 TRP A 87 10.649 -5.338 -14.987 1.00 10.18 C ATOM 476 NE1 TRP A 87 10.185 -3.865 -16.613 1.00 12.34 N ATOM 477 CE2 TRP A 87 10.254 -5.208 -16.331 1.00 15.08 C ATOM 478 CE3 TRP A 87 10.812 -6.619 -14.445 1.00 7.04 C ATOM 479 CZ2 TRP A 87 9.992 -6.314 -17.149 1.00 13.70 C ATOM 480 CZ3 TRP A 87 10.541 -7.730 -15.258 1.00 16.57 C ATOM 481 CH2 TRP A 87 10.142 -7.561 -16.598 1.00 16.55 C ATOM 482 HA TRP A 87 9.454 -4.650 -12.234 1.00 0.00 H ATOM 483 HB2 TRP A 87 11.651 -2.695 -13.062 1.00 0.00 H ATOM 484 HB3 TRP A 87 11.947 -4.418 -12.733 1.00 0.00 H ATOM 485 HE1 TRP A 87 9.921 -3.451 -17.530 1.00 0.00 H ATOM 486 HD1 TRP A 87 10.546 -2.073 -15.406 1.00 0.00 H ATOM 487 HZ2 TRP A 87 9.680 -6.188 -18.186 1.00 0.00 H ATOM 488 HH2 TRP A 87 9.948 -8.441 -17.211 1.00 0.00 H ATOM 489 HZ3 TRP A 87 10.640 -8.735 -14.848 1.00 0.00 H ATOM 490 HE3 TRP A 87 11.142 -6.750 -13.414 1.00 0.00 H ATOM 491 H TRP A 87 9.371 -1.646 -12.222 1.00 0.00 H ATOM 492 N ALA A 88 10.697 -4.765 -10.042 1.00 11.53 N ATOM 493 CA ALA A 88 11.326 -4.803 -8.742 1.00 12.15 C ATOM 494 C ALA A 88 12.695 -5.468 -8.930 1.00 10.74 C ATOM 495 O ALA A 88 12.793 -6.537 -9.506 1.00 8.22 O ATOM 496 CB ALA A 88 10.470 -5.572 -7.738 1.00 8.35 C ATOM 497 HA ALA A 88 11.440 -3.797 -8.339 1.00 0.00 H ATOM 498 HB1 ALA A 88 9.500 -5.085 -7.642 1.00 0.00 H ATOM 499 HB2 ALA A 88 10.332 -6.595 -8.089 1.00 0.00 H ATOM 500 HB3 ALA A 88 10.970 -5.583 -6.769 1.00 0.00 H ATOM 501 H ALA A 88 10.382 -5.654 -10.480 1.00 0.00 H ATOM 502 N GLY A 89 13.748 -4.784 -8.491 1.00 8.28 N ATOM 503 CA GLY A 89 15.089 -5.331 -8.530 1.00 10.34 C ATOM 504 C GLY A 89 15.372 -5.911 -7.160 1.00 11.17 C ATOM 505 O GLY A 89 15.256 -5.213 -6.141 1.00 8.55 O ATOM 506 HA3 GLY A 89 15.808 -4.544 -8.759 1.00 0.00 H ATOM 507 HA2 GLY A 89 15.153 -6.112 -9.288 1.00 0.00 H ATOM 508 H GLY A 89 13.604 -3.828 -8.108 1.00 0.00 H ATOM 509 N ILE A 90 15.710 -7.196 -7.127 1.00 7.06 N ATOM 510 CA ILE A 90 15.782 -7.925 -5.865 1.00 6.95 C ATOM 511 C ILE A 90 17.209 -8.423 -5.703 1.00 10.18 C ATOM 512 O ILE A 90 17.809 -8.930 -6.673 1.00 10.10 O ATOM 513 CB ILE A 90 14.832 -9.147 -5.898 1.00 7.42 C ATOM 514 CG1 ILE A 90 13.392 -8.727 -6.207 1.00 11.25 C ATOM 515 CG2 ILE A 90 14.973 -10.007 -4.603 1.00 7.64 C ATOM 516 CD1 ILE A 90 12.811 -7.763 -5.230 1.00 14.65 C ATOM 517 HA ILE A 90 15.491 -7.273 -5.042 1.00 0.00 H ATOM 518 HB ILE A 90 15.131 -9.796 -6.721 1.00 0.00 H ATOM 519 HG12 ILE A 90 13.375 -8.265 -7.194 1.00 0.00 H ATOM 520 HG13 ILE A 90 12.770 -9.622 -6.215 1.00 0.00 H ATOM 521 HD11 ILE A 90 12.807 -8.212 -4.237 1.00 0.00 H ATOM 522 HD12 ILE A 90 13.413 -6.854 -5.216 1.00 0.00 H ATOM 523 HD13 ILE A 90 11.790 -7.520 -5.525 1.00 0.00 H ATOM 524 HG21 ILE A 90 15.999 -10.366 -4.516 1.00 0.00 H ATOM 525 HG22 ILE A 90 14.725 -9.397 -3.734 1.00 0.00 H ATOM 526 HG23 ILE A 90 14.293 -10.857 -4.657 1.00 0.00 H ATOM 527 H ILE A 90 15.927 -7.690 -8.016 1.00 0.00 H ATOM 528 N VAL A 91 17.766 -8.304 -4.492 1.00 8.49 N ATOM 529 CA VAL A 91 18.982 -9.026 -4.213 1.00 5.56 C ATOM 530 C VAL A 91 18.593 -10.321 -3.473 1.00 9.35 C ATOM 531 O VAL A 91 17.939 -10.273 -2.435 1.00 10.80 O ATOM 532 CB VAL A 91 20.003 -8.224 -3.362 1.00 10.54 C ATOM 533 CG1 VAL A 91 19.377 -7.796 -2.023 1.00 11.98 C ATOM 534 CG2 VAL A 91 21.238 -9.081 -3.107 1.00 8.62 C ATOM 535 HA VAL A 91 19.480 -9.228 -5.161 1.00 0.00 H ATOM 536 HB VAL A 91 20.288 -7.326 -3.911 1.00 0.00 H ATOM 537 HG11 VAL A 91 18.507 -7.168 -2.214 1.00 0.00 H ATOM 538 HG12 VAL A 91 19.072 -8.682 -1.466 1.00 0.00 H ATOM 539 HG13 VAL A 91 20.110 -7.236 -1.443 1.00 0.00 H ATOM 540 HG21 VAL A 91 20.947 -9.984 -2.570 1.00 0.00 H ATOM 541 HG22 VAL A 91 21.693 -9.353 -4.059 1.00 0.00 H ATOM 542 HG23 VAL A 91 21.954 -8.516 -2.509 1.00 0.00 H ATOM 543 H VAL A 91 17.329 -7.702 -3.765 1.00 0.00 H ATOM 544 N LEU A 92 18.961 -11.454 -4.065 1.00 12.70 N ATOM 545 CA LEU A 92 18.562 -12.790 -3.594 1.00 12.46 C ATOM 546 C LEU A 92 19.540 -13.305 -2.556 1.00 9.25 C ATOM 547 O LEU A 92 20.736 -12.998 -2.629 1.00 12.00 O ATOM 548 CB LEU A 92 18.510 -13.755 -4.787 1.00 13.23 C ATOM 549 CG LEU A 92 17.509 -13.429 -5.896 1.00 14.10 C ATOM 550 CD1 LEU A 92 17.827 -14.215 -7.178 1.00 15.30 C ATOM 551 CD2 LEU A 92 16.097 -13.707 -5.404 1.00 15.23 C ATOM 552 HA LEU A 92 17.576 -12.723 -3.133 1.00 0.00 H ATOM 553 HB2 LEU A 92 19.503 -13.779 -5.236 1.00 0.00 H ATOM 554 HB3 LEU A 92 18.264 -14.744 -4.401 1.00 0.00 H ATOM 555 HG LEU A 92 17.587 -12.371 -6.146 1.00 0.00 H ATOM 556 HD21 LEU A 92 16.009 -14.759 -5.132 1.00 0.00 H ATOM 557 HD22 LEU A 92 15.889 -13.087 -4.532 1.00 0.00 H ATOM 558 HD23 LEU A 92 15.385 -13.474 -6.196 1.00 0.00 H ATOM 559 HD11 LEU A 92 18.828 -13.955 -7.523 1.00 0.00 H ATOM 560 HD12 LEU A 92 17.780 -15.284 -6.969 1.00 0.00 H ATOM 561 HD13 LEU A 92 17.098 -13.962 -7.948 1.00 0.00 H ATOM 562 H LEU A 92 19.565 -11.392 -4.909 1.00 0.00 H ATOM 563 N ASP A 93 19.048 -14.078 -1.578 1.00 12.69 N ATOM 564 CA ASP A 93 19.918 -14.708 -0.567 1.00 15.29 C ATOM 565 C ASP A 93 20.941 -15.645 -1.214 1.00 17.77 C ATOM 566 O ASP A 93 22.073 -15.759 -0.749 1.00 17.23 O ATOM 567 CB ASP A 93 19.116 -15.533 0.435 1.00 20.04 C ATOM 568 CG ASP A 93 18.253 -14.689 1.346 1.00 18.41 C ATOM 569 OD1 ASP A 93 18.107 -13.486 1.113 1.00 17.67 O ATOM 570 OD2 ASP A 93 17.714 -15.253 2.311 1.00 19.18 O ATOM 571 HA ASP A 93 20.423 -13.888 -0.057 1.00 0.00 H ATOM 572 HB2 ASP A 93 18.472 -16.218 -0.116 1.00 0.00 H ATOM 573 HB3 ASP A 93 19.812 -16.105 1.049 1.00 0.00 H ATOM 574 H ASP A 93 18.022 -14.239 -1.530 1.00 0.00 H ATOM 575 N GLU A 94 20.537 -16.321 -2.283 1.00 14.27 N ATOM 576 CA GLU A 94 21.442 -17.239 -2.970 1.00 17.75 C ATOM 577 C GLU A 94 21.726 -16.709 -4.358 1.00 16.26 C ATOM 578 O GLU A 94 20.891 -16.028 -4.938 1.00 15.82 O ATOM 579 CB GLU A 94 20.801 -18.631 -3.095 1.00 24.99 C ATOM 580 CG GLU A 94 20.158 -19.167 -1.819 1.00 30.33 C ATOM 581 CD GLU A 94 21.182 -19.515 -0.745 1.00 37.30 C ATOM 582 OE1 GLU A 94 22.335 -19.843 -1.101 1.00 39.96 O ATOM 583 OE2 GLU A 94 20.834 -19.458 0.457 1.00 38.03 O ATOM 584 HA GLU A 94 22.365 -17.319 -2.395 1.00 0.00 H ATOM 585 HB2 GLU A 94 20.031 -18.580 -3.865 1.00 0.00 H ATOM 586 HB3 GLU A 94 21.576 -19.333 -3.403 1.00 0.00 H ATOM 587 HG2 GLU A 94 19.482 -18.409 -1.424 1.00 0.00 H ATOM 588 HG3 GLU A 94 19.591 -20.065 -2.065 1.00 0.00 H ATOM 589 H GLU A 94 19.566 -16.196 -2.635 1.00 0.00 H ATOM 590 N PRO A 95 22.897 -17.044 -4.913 1.00 16.56 N ATOM 591 CA PRO A 95 23.356 -16.551 -6.218 1.00 15.81 C ATOM 592 C PRO A 95 22.721 -17.305 -7.382 1.00 15.74 C ATOM 593 O PRO A 95 23.403 -17.932 -8.204 1.00 15.48 O ATOM 594 CB PRO A 95 24.856 -16.830 -6.167 1.00 19.25 C ATOM 595 CG PRO A 95 24.950 -18.042 -5.338 1.00 20.57 C ATOM 596 CD PRO A 95 23.909 -17.899 -4.270 1.00 18.44 C ATOM 597 HA PRO A 95 23.094 -15.506 -6.382 1.00 0.00 H ATOM 598 HD3 PRO A 95 23.490 -18.868 -3.998 1.00 0.00 H ATOM 599 HD2 PRO A 95 24.321 -17.420 -3.382 1.00 0.00 H ATOM 600 HG3 PRO A 95 25.942 -18.119 -4.892 1.00 0.00 H ATOM 601 HG2 PRO A 95 24.754 -18.929 -5.941 1.00 0.00 H ATOM 602 HB2 PRO A 95 25.254 -17.009 -7.166 1.00 0.00 H ATOM 603 HB3 PRO A 95 25.392 -16.000 -5.707 1.00 0.00 H ATOM 604 N ILE A 96 21.401 -17.220 -7.452 1.00 12.07 N ATOM 605 CA ILE A 96 20.641 -17.974 -8.431 1.00 11.99 C ATOM 606 C ILE A 96 19.926 -17.043 -9.413 1.00 13.15 C ATOM 607 O ILE A 96 19.046 -17.484 -10.157 1.00 17.61 O ATOM 608 CB ILE A 96 19.613 -18.873 -7.737 1.00 14.89 C ATOM 609 CG1 ILE A 96 18.645 -18.023 -6.899 1.00 16.99 C ATOM 610 CG2 ILE A 96 20.331 -19.933 -6.880 1.00 19.74 C ATOM 611 CD1 ILE A 96 17.540 -18.816 -6.220 1.00 21.36 C ATOM 612 HA ILE A 96 21.344 -18.593 -8.988 1.00 0.00 H ATOM 613 HB ILE A 96 19.024 -19.397 -8.490 1.00 0.00 H ATOM 614 HG12 ILE A 96 19.221 -17.511 -6.128 1.00 0.00 H ATOM 615 HG13 ILE A 96 18.182 -17.286 -7.555 1.00 0.00 H ATOM 616 HD11 ILE A 96 16.943 -19.326 -6.976 1.00 0.00 H ATOM 617 HD12 ILE A 96 17.983 -19.551 -5.548 1.00 0.00 H ATOM 618 HD13 ILE A 96 16.905 -18.137 -5.651 1.00 0.00 H ATOM 619 HG21 ILE A 96 20.968 -20.544 -7.519 1.00 0.00 H ATOM 620 HG22 ILE A 96 20.941 -19.436 -6.125 1.00 0.00 H ATOM 621 HG23 ILE A 96 19.590 -20.566 -6.392 1.00 0.00 H ATOM 622 H ILE A 96 20.897 -16.597 -6.789 1.00 0.00 H ATOM 623 N GLY A 97 20.318 -15.770 -9.416 1.00 16.05 N ATOM 624 CA GLY A 97 19.687 -14.762 -10.261 1.00 16.84 C ATOM 625 C GLY A 97 20.306 -14.615 -11.639 1.00 16.46 C ATOM 626 O GLY A 97 20.892 -15.559 -12.169 1.00 16.70 O ATOM 627 HA3 GLY A 97 19.756 -13.800 -9.753 1.00 0.00 H ATOM 628 HA2 GLY A 97 18.638 -15.031 -10.386 1.00 0.00 H ATOM 629 H GLY A 97 21.101 -15.485 -8.794 1.00 0.00 H ATOM 630 N LYS A 98 20.190 -13.420 -12.215 1.00 15.24 N ATOM 631 CA LYS A 98 20.597 -13.200 -13.600 1.00 16.89 C ATOM 632 C LYS A 98 21.662 -12.108 -13.748 1.00 16.33 C ATOM 633 O LYS A 98 22.290 -11.979 -14.806 1.00 17.04 O ATOM 634 CB LYS A 98 19.384 -12.803 -14.450 1.00 19.25 C ATOM 635 CG LYS A 98 18.271 -13.834 -14.537 1.00 20.33 C ATOM 636 CD LYS A 98 17.244 -13.426 -15.586 1.00 23.31 C ATOM 637 CE LYS A 98 17.852 -13.534 -16.977 1.00 31.32 C ATOM 638 NZ LYS A 98 16.990 -12.943 -18.028 1.00 36.22 N ATOM 639 HA LYS A 98 21.027 -14.142 -13.941 1.00 0.00 H ATOM 640 HB2 LYS A 98 18.963 -11.891 -14.027 1.00 0.00 H ATOM 641 HB3 LYS A 98 19.736 -12.604 -15.462 1.00 0.00 H ATOM 642 HG2 LYS A 98 18.697 -14.800 -14.809 1.00 0.00 H ATOM 643 HG3 LYS A 98 17.780 -13.915 -13.567 1.00 0.00 H ATOM 644 HD2 LYS A 98 16.377 -14.083 -15.518 1.00 0.00 H ATOM 645 HD3 LYS A 98 16.933 -12.397 -15.406 1.00 0.00 H ATOM 646 HE2 LYS A 98 18.010 -14.588 -17.207 1.00 0.00 H ATOM 647 HE3 LYS A 98 18.811 -13.015 -16.980 1.00 0.00 H ATOM 648 HZ1 LYS A 98 16.074 -13.436 -18.042 1.00 0.00 H ATOM 649 HZ2 LYS A 98 16.839 -11.934 -17.824 1.00 0.00 H ATOM 650 HZ3 LYS A 98 17.454 -13.045 -18.953 1.00 0.00 H ATOM 651 H LYS A 98 19.801 -12.626 -11.667 1.00 0.00 H ATOM 652 N ASN A 99 21.870 -11.320 -12.704 1.00 12.71 N ATOM 653 CA ASN A 99 22.656 -10.110 -12.877 1.00 13.74 C ATOM 654 C ASN A 99 23.270 -9.600 -11.575 1.00 14.14 C ATOM 655 O ASN A 99 23.079 -10.203 -10.517 1.00 14.27 O ATOM 656 CB ASN A 99 21.787 -9.036 -13.543 1.00 13.07 C ATOM 657 CG ASN A 99 20.614 -8.610 -12.672 1.00 11.02 C ATOM 658 OD1 ASN A 99 20.807 -8.090 -11.588 1.00 12.59 O ATOM 659 ND2 ASN A 99 19.385 -8.822 -13.153 1.00 11.78 N ATOM 660 HA ASN A 99 23.502 -10.352 -13.521 1.00 0.00 H ATOM 661 HB2 ASN A 99 22.406 -8.162 -13.747 1.00 0.00 H ATOM 662 HB3 ASN A 99 21.400 -9.432 -14.482 1.00 0.00 H ATOM 663 HD22 ASN A 99 19.261 -9.269 -14.084 1.00 0.00 H ATOM 664 HD21 ASN A 99 18.553 -8.540 -12.597 1.00 0.00 H ATOM 665 H ASN A 99 21.476 -11.564 -11.773 1.00 0.00 H ATOM 666 N ASP A 100 24.002 -8.492 -11.663 1.00 14.50 N ATOM 667 CA ASP A 100 24.622 -7.847 -10.496 1.00 13.94 C ATOM 668 C ASP A 100 23.946 -6.522 -10.133 1.00 11.96 C ATOM 669 O ASP A 100 24.542 -5.687 -9.454 1.00 15.14 O ATOM 670 CB ASP A 100 26.111 -7.598 -10.740 1.00 15.28 C ATOM 671 CG ASP A 100 26.368 -6.425 -11.696 1.00 19.78 C ATOM 672 OD1 ASP A 100 25.449 -5.999 -12.429 1.00 20.63 O ATOM 673 OD2 ASP A 100 27.512 -5.948 -11.727 1.00 24.00 O ATOM 674 HA ASP A 100 24.493 -8.535 -9.660 1.00 0.00 H ATOM 675 HB2 ASP A 100 26.589 -7.381 -9.785 1.00 0.00 H ATOM 676 HB3 ASP A 100 26.550 -8.499 -11.168 1.00 0.00 H ATOM 677 H ASP A 100 24.142 -8.063 -12.600 1.00 0.00 H ATOM 678 N GLY A 101 22.703 -6.348 -10.580 1.00 14.53 N ATOM 679 CA GLY A 101 21.961 -5.122 -10.349 1.00 9.75 C ATOM 680 C GLY A 101 21.949 -4.266 -11.598 1.00 9.52 C ATOM 681 O GLY A 101 21.212 -3.293 -11.667 1.00 10.67 O ATOM 682 HA3 GLY A 101 22.430 -4.566 -9.537 1.00 0.00 H ATOM 683 HA2 GLY A 101 20.936 -5.369 -10.073 1.00 0.00 H ATOM 684 H GLY A 101 22.249 -7.117 -11.113 1.00 0.00 H ATOM 685 N SER A 102 22.776 -4.617 -12.573 1.00 10.60 N ATOM 686 CA SER A 102 22.790 -3.906 -13.853 1.00 12.53 C ATOM 687 C SER A 102 22.260 -4.803 -14.989 1.00 13.88 C ATOM 688 O SER A 102 22.412 -6.026 -14.946 1.00 15.96 O ATOM 689 CB SER A 102 24.199 -3.360 -14.163 1.00 12.67 C ATOM 690 OG SER A 102 25.106 -4.392 -14.534 1.00 15.62 O ATOM 691 HA SER A 102 22.119 -3.051 -13.777 1.00 0.00 H ATOM 692 HB2 SER A 102 24.584 -2.856 -13.276 1.00 0.00 H ATOM 693 HB3 SER A 102 24.126 -2.645 -14.982 1.00 0.00 H ATOM 694 HG SER A 102 25.184 -5.043 -13.792 1.00 0.00 H ATOM 695 H SER A 102 23.428 -5.414 -12.426 1.00 0.00 H ATOM 696 N VAL A 103 21.637 -4.190 -15.998 1.00 11.52 N ATOM 697 CA VAL A 103 21.130 -4.916 -17.184 1.00 11.18 C ATOM 698 C VAL A 103 21.538 -4.108 -18.412 1.00 15.44 C ATOM 699 O VAL A 103 21.191 -2.939 -18.510 1.00 13.62 O ATOM 700 CB VAL A 103 19.567 -5.068 -17.184 1.00 10.90 C ATOM 701 CG1 VAL A 103 19.064 -5.803 -18.458 1.00 12.20 C ATOM 702 CG2 VAL A 103 19.068 -5.813 -15.927 1.00 11.31 C ATOM 703 HA VAL A 103 21.550 -5.922 -17.180 1.00 0.00 H ATOM 704 HB VAL A 103 19.157 -4.058 -17.178 1.00 0.00 H ATOM 705 HG11 VAL A 103 19.355 -5.236 -19.342 1.00 0.00 H ATOM 706 HG12 VAL A 103 19.507 -6.798 -18.501 1.00 0.00 H ATOM 707 HG13 VAL A 103 17.978 -5.889 -18.421 1.00 0.00 H ATOM 708 HG21 VAL A 103 19.511 -6.808 -15.896 1.00 0.00 H ATOM 709 HG22 VAL A 103 19.360 -5.256 -15.036 1.00 0.00 H ATOM 710 HG23 VAL A 103 17.982 -5.898 -15.964 1.00 0.00 H ATOM 711 H VAL A 103 21.502 -3.160 -15.949 1.00 0.00 H ATOM 712 N ALA A 104 22.276 -4.737 -19.326 1.00 17.77 N ATOM 713 CA ALA A 104 22.695 -4.088 -20.567 1.00 21.89 C ATOM 714 C ALA A 104 23.504 -2.822 -20.299 1.00 21.92 C ATOM 715 O ALA A 104 23.376 -1.824 -21.009 1.00 20.50 O ATOM 716 CB ALA A 104 21.478 -3.790 -21.462 1.00 23.57 C ATOM 717 HA ALA A 104 23.349 -4.780 -21.097 1.00 0.00 H ATOM 718 HB1 ALA A 104 20.970 -4.723 -21.705 1.00 0.00 H ATOM 719 HB2 ALA A 104 20.792 -3.129 -20.932 1.00 0.00 H ATOM 720 HB3 ALA A 104 21.813 -3.307 -22.380 1.00 0.00 H ATOM 721 H ALA A 104 22.563 -5.721 -19.151 1.00 0.00 H ATOM 722 N GLY A 105 24.329 -2.872 -19.257 1.00 19.70 N ATOM 723 CA GLY A 105 25.209 -1.770 -18.918 1.00 21.48 C ATOM 724 C GLY A 105 24.548 -0.693 -18.087 1.00 21.84 C ATOM 725 O GLY A 105 25.209 0.253 -17.658 1.00 25.78 O ATOM 726 HA3 GLY A 105 25.567 -1.319 -19.843 1.00 0.00 H ATOM 727 HA2 GLY A 105 26.055 -2.166 -18.357 1.00 0.00 H ATOM 728 H GLY A 105 24.344 -3.728 -18.667 1.00 0.00 H ATOM 729 N VAL A 106 23.247 -0.810 -17.865 1.00 12.45 N ATOM 730 CA VAL A 106 22.550 0.186 -17.065 1.00 12.51 C ATOM 731 C VAL A 106 22.437 -0.240 -15.609 1.00 16.96 C ATOM 732 O VAL A 106 21.915 -1.315 -15.312 1.00 15.24 O ATOM 733 CB VAL A 106 21.161 0.433 -17.614 1.00 12.85 C ATOM 734 CG1 VAL A 106 20.405 1.372 -16.695 1.00 13.52 C ATOM 735 CG2 VAL A 106 21.253 0.977 -19.045 1.00 13.92 C ATOM 736 HA VAL A 106 23.137 1.103 -17.116 1.00 0.00 H ATOM 737 HB VAL A 106 20.607 -0.505 -17.655 1.00 0.00 H ATOM 738 HG11 VAL A 106 20.327 0.924 -15.704 1.00 0.00 H ATOM 739 HG12 VAL A 106 20.940 2.319 -16.626 1.00 0.00 H ATOM 740 HG13 VAL A 106 19.406 1.545 -17.096 1.00 0.00 H ATOM 741 HG21 VAL A 106 21.810 1.914 -19.041 1.00 0.00 H ATOM 742 HG22 VAL A 106 21.765 0.251 -19.676 1.00 0.00 H ATOM 743 HG23 VAL A 106 20.249 1.152 -19.431 1.00 0.00 H ATOM 744 H VAL A 106 22.723 -1.615 -18.263 1.00 0.00 H ATOM 745 N ARG A 107 22.897 0.612 -14.700 1.00 17.53 N ATOM 746 CA ARG A 107 22.946 0.268 -13.285 1.00 16.91 C ATOM 747 C ARG A 107 21.714 0.720 -12.491 1.00 16.52 C ATOM 748 O ARG A 107 21.457 1.918 -12.351 1.00 15.93 O ATOM 749 CB ARG A 107 24.242 0.830 -12.679 1.00 20.89 C ATOM 750 CG ARG A 107 24.282 0.886 -11.164 1.00 25.23 C ATOM 751 CD ARG A 107 24.862 -0.372 -10.533 1.00 20.34 C ATOM 752 NE ARG A 107 25.987 -0.974 -11.266 1.00 19.42 N ATOM 753 CZ ARG A 107 26.223 -2.290 -11.295 1.00 20.00 C ATOM 754 NH1 ARG A 107 25.421 -3.131 -10.631 1.00 15.21 N ATOM 755 NH2 ARG A 107 27.241 -2.776 -11.987 1.00 21.66 N ATOM 756 HA ARG A 107 22.938 -0.820 -13.213 1.00 0.00 H ATOM 757 HB2 ARG A 107 25.069 0.204 -13.014 1.00 0.00 H ATOM 758 HB3 ARG A 107 24.378 1.843 -13.057 1.00 0.00 H ATOM 759 HG2 ARG A 107 24.893 1.738 -10.864 1.00 0.00 H ATOM 760 HG3 ARG A 107 23.265 1.022 -10.795 1.00 0.00 H ATOM 761 HD2 ARG A 107 24.067 -1.114 -10.465 1.00 0.00 H ATOM 762 HD3 ARG A 107 25.208 -0.119 -9.531 1.00 0.00 H ATOM 763 HE ARG A 107 26.630 -0.345 -11.787 1.00 0.00 H ATOM 764 HH12 ARG A 107 25.606 -4.154 -10.655 1.00 0.00 H ATOM 765 HH11 ARG A 107 24.613 -2.761 -10.091 1.00 0.00 H ATOM 766 HH22 ARG A 107 27.416 -3.801 -12.003 1.00 0.00 H ATOM 767 HH21 ARG A 107 27.866 -2.133 -12.514 1.00 0.00 H ATOM 768 H ARG A 107 23.231 1.548 -15.006 1.00 0.00 H ATOM 769 N TYR A 108 20.957 -0.247 -11.958 1.00 15.84 N ATOM 770 CA TYR A 108 19.758 0.062 -11.186 1.00 13.50 C ATOM 771 C TYR A 108 19.998 -0.081 -9.691 1.00 14.88 C ATOM 772 O TYR A 108 19.433 0.670 -8.886 1.00 14.83 O ATOM 773 CB TYR A 108 18.591 -0.834 -11.621 1.00 12.43 C ATOM 774 CG TYR A 108 18.291 -0.708 -13.095 1.00 11.11 C ATOM 775 CD1 TYR A 108 18.820 -1.607 -14.008 1.00 9.80 C ATOM 776 CD2 TYR A 108 17.521 0.349 -13.580 1.00 10.92 C ATOM 777 CE1 TYR A 108 18.553 -1.482 -15.373 1.00 11.85 C ATOM 778 CE2 TYR A 108 17.260 0.493 -14.933 1.00 12.57 C ATOM 779 CZ TYR A 108 17.784 -0.422 -15.821 1.00 12.52 C ATOM 780 OH TYR A 108 17.506 -0.299 -17.149 1.00 11.12 O ATOM 781 HA TYR A 108 19.502 1.103 -11.385 1.00 0.00 H ATOM 782 HB3 TYR A 108 17.702 -0.551 -11.057 1.00 0.00 H ATOM 783 HB2 TYR A 108 18.844 -1.871 -11.402 1.00 0.00 H ATOM 784 HD2 TYR A 108 17.115 1.078 -12.879 1.00 0.00 H ATOM 785 HE2 TYR A 108 16.647 1.320 -15.291 1.00 0.00 H ATOM 786 HE1 TYR A 108 18.947 -2.213 -16.079 1.00 0.00 H ATOM 787 HD1 TYR A 108 19.452 -2.422 -13.656 1.00 0.00 H ATOM 788 HH TYR A 108 17.953 -1.028 -17.648 1.00 0.00 H ATOM 789 H TYR A 108 21.230 -1.241 -12.097 1.00 0.00 H ATOM 790 N PHE A 109 20.813 -1.070 -9.327 1.00 9.87 N ATOM 791 CA PHE A 109 21.291 -1.228 -7.966 1.00 12.31 C ATOM 792 C PHE A 109 22.590 -2.025 -8.023 1.00 13.37 C ATOM 793 O PHE A 109 23.041 -2.372 -9.109 1.00 11.53 O ATOM 794 CB PHE A 109 20.220 -1.875 -7.059 1.00 14.83 C ATOM 795 CG PHE A 109 19.915 -3.323 -7.354 1.00 12.64 C ATOM 796 CD1 PHE A 109 20.484 -4.336 -6.584 1.00 13.51 C ATOM 797 CD2 PHE A 109 19.018 -3.682 -8.360 1.00 12.91 C ATOM 798 CE1 PHE A 109 20.184 -5.657 -6.809 1.00 14.36 C ATOM 799 CE2 PHE A 109 18.705 -5.014 -8.599 1.00 10.54 C ATOM 800 CZ PHE A 109 19.290 -6.016 -7.828 1.00 13.02 C ATOM 801 HA PHE A 109 21.490 -0.257 -7.513 1.00 0.00 H ATOM 802 HB2 PHE A 109 20.566 -1.807 -6.028 1.00 0.00 H ATOM 803 HB3 PHE A 109 19.297 -1.307 -7.170 1.00 0.00 H ATOM 804 HD2 PHE A 109 18.555 -2.905 -8.968 1.00 0.00 H ATOM 805 HE2 PHE A 109 18.002 -5.275 -9.390 1.00 0.00 H ATOM 806 HZ PHE A 109 19.056 -7.064 -8.014 1.00 0.00 H ATOM 807 HE1 PHE A 109 20.643 -6.430 -6.193 1.00 0.00 H ATOM 808 HD1 PHE A 109 21.181 -4.074 -5.788 1.00 0.00 H ATOM 809 H PHE A 109 21.119 -1.756 -10.047 1.00 0.00 H ATOM 810 N GLN A 110 23.205 -2.287 -6.873 1.00 13.13 N ATOM 811 CA GLN A 110 24.497 -2.955 -6.865 1.00 12.10 C ATOM 812 C GLN A 110 24.458 -4.171 -5.937 1.00 15.71 C ATOM 813 O GLN A 110 24.158 -4.041 -4.751 1.00 16.98 O ATOM 814 CB GLN A 110 25.616 -1.974 -6.437 1.00 17.37 C ATOM 815 CG GLN A 110 27.027 -2.558 -6.410 1.00 23.98 C ATOM 816 CD GLN A 110 27.565 -2.936 -7.784 1.00 29.70 C ATOM 817 OE1 GLN A 110 27.817 -2.074 -8.630 1.00 31.66 O ATOM 818 NE2 GLN A 110 27.754 -4.236 -8.007 1.00 32.20 N ATOM 819 HA GLN A 110 24.717 -3.298 -7.876 1.00 0.00 H ATOM 820 HB2 GLN A 110 25.612 -1.136 -7.133 1.00 0.00 H ATOM 821 HB3 GLN A 110 25.382 -1.614 -5.435 1.00 0.00 H ATOM 822 HG2 GLN A 110 27.696 -1.819 -5.971 1.00 0.00 H ATOM 823 HG3 GLN A 110 27.017 -3.452 -5.787 1.00 0.00 H ATOM 824 HE22 GLN A 110 27.528 -4.929 -7.265 1.00 0.00 H ATOM 825 HE21 GLN A 110 28.127 -4.558 -8.923 1.00 0.00 H ATOM 826 H GLN A 110 22.759 -2.013 -5.974 1.00 0.00 H ATOM 827 N CYS A 111 24.800 -5.334 -6.475 1.00 15.43 N ATOM 828 CA CYS A 111 25.005 -6.531 -5.646 1.00 15.29 C ATOM 829 C CYS A 111 26.076 -7.433 -6.259 1.00 17.52 C ATOM 830 O CYS A 111 26.618 -7.119 -7.313 1.00 18.53 O ATOM 831 CB CYS A 111 23.699 -7.295 -5.458 1.00 15.37 C ATOM 832 SG CYS A 111 22.995 -7.989 -6.982 1.00 14.42 S ATOM 833 HA CYS A 111 25.350 -6.208 -4.664 1.00 0.00 H ATOM 834 HB2 CYS A 111 22.966 -6.613 -5.026 1.00 0.00 H ATOM 835 HB3 CYS A 111 23.883 -8.116 -4.765 1.00 0.00 H ATOM 836 HG CYS A 111 23.896 -8.872 -7.542 1.00 0.00 H ATOM 837 H CYS A 111 24.926 -5.401 -7.505 1.00 0.00 H ATOM 838 N GLU A 112 26.414 -8.529 -5.582 1.00 18.81 N ATOM 839 CA GLU A 112 27.366 -9.496 -6.125 1.00 26.11 C ATOM 840 C GLU A 112 26.773 -10.223 -7.331 1.00 22.17 C ATOM 841 O GLU A 112 25.563 -10.367 -7.428 1.00 19.21 O ATOM 842 CB GLU A 112 27.736 -10.542 -5.065 1.00 36.50 C ATOM 843 CG GLU A 112 28.149 -9.989 -3.707 1.00 46.35 C ATOM 844 CD GLU A 112 28.002 -11.027 -2.588 1.00 55.67 C ATOM 845 OE1 GLU A 112 28.480 -12.174 -2.758 1.00 58.56 O ATOM 846 OE2 GLU A 112 27.403 -10.697 -1.537 1.00 58.46 O ATOM 847 HA GLU A 112 28.255 -8.944 -6.429 1.00 0.00 H ATOM 848 HB2 GLU A 112 26.871 -11.188 -4.915 1.00 0.00 H ATOM 849 HB3 GLU A 112 28.566 -11.133 -5.453 1.00 0.00 H ATOM 850 HG2 GLU A 112 29.191 -9.674 -3.759 1.00 0.00 H ATOM 851 HG3 GLU A 112 27.522 -9.129 -3.473 1.00 0.00 H ATOM 852 H GLU A 112 25.992 -8.700 -4.647 1.00 0.00 H ATOM 853 N PRO A 113 27.637 -10.716 -8.230 1.00 22.25 N ATOM 854 CA PRO A 113 27.221 -11.404 -9.455 1.00 23.54 C ATOM 855 C PRO A 113 26.164 -12.497 -9.193 1.00 26.50 C ATOM 856 O PRO A 113 26.256 -13.282 -8.245 1.00 21.90 O ATOM 857 CB PRO A 113 28.531 -12.017 -9.976 1.00 28.54 C ATOM 858 CG PRO A 113 29.611 -11.148 -9.408 1.00 28.87 C ATOM 859 CD PRO A 113 29.104 -10.646 -8.090 1.00 25.06 C ATOM 860 HA PRO A 113 26.742 -10.727 -10.163 1.00 0.00 H ATOM 861 HD3 PRO A 113 29.448 -11.281 -7.274 1.00 0.00 H ATOM 862 HD2 PRO A 113 29.429 -9.621 -7.913 1.00 0.00 H ATOM 863 HG3 PRO A 113 29.813 -10.312 -10.077 1.00 0.00 H ATOM 864 HG2 PRO A 113 30.524 -11.726 -9.265 1.00 0.00 H ATOM 865 HB2 PRO A 113 28.640 -13.044 -9.627 1.00 0.00 H ATOM 866 HB3 PRO A 113 28.557 -12.000 -11.066 1.00 0.00 H ATOM 867 N LEU A 114 25.152 -12.518 -10.056 1.00 21.81 N ATOM 868 CA LEU A 114 24.053 -13.475 -9.997 1.00 17.89 C ATOM 869 C LEU A 114 23.165 -13.416 -8.752 1.00 16.64 C ATOM 870 O LEU A 114 22.291 -14.257 -8.588 1.00 18.94 O ATOM 871 CB LEU A 114 24.553 -14.900 -10.257 1.00 20.50 C ATOM 872 CG LEU A 114 25.098 -15.076 -11.680 1.00 21.93 C ATOM 873 CD1 LEU A 114 25.350 -16.543 -11.966 1.00 26.47 C ATOM 874 CD2 LEU A 114 24.157 -14.472 -12.728 1.00 22.68 C ATOM 875 HA LEU A 114 23.387 -13.162 -10.801 1.00 0.00 H ATOM 876 HB2 LEU A 114 25.348 -15.128 -9.546 1.00 0.00 H ATOM 877 HB3 LEU A 114 23.726 -15.594 -10.110 1.00 0.00 H ATOM 878 HG LEU A 114 26.043 -14.536 -11.745 1.00 0.00 H ATOM 879 HD21 LEU A 114 23.186 -14.964 -12.669 1.00 0.00 H ATOM 880 HD22 LEU A 114 24.038 -13.406 -12.536 1.00 0.00 H ATOM 881 HD23 LEU A 114 24.580 -14.618 -13.722 1.00 0.00 H ATOM 882 HD11 LEU A 114 26.078 -16.931 -11.254 1.00 0.00 H ATOM 883 HD12 LEU A 114 24.416 -17.096 -11.870 1.00 0.00 H ATOM 884 HD13 LEU A 114 25.737 -16.653 -12.979 1.00 0.00 H ATOM 885 H LEU A 114 25.144 -11.810 -10.818 1.00 0.00 H ATOM 886 N LYS A 115 23.358 -12.430 -7.885 1.00 13.48 N ATOM 887 CA LYS A 115 22.437 -12.274 -6.766 1.00 12.88 C ATOM 888 C LYS A 115 21.285 -11.336 -7.085 1.00 13.10 C ATOM 889 O LYS A 115 20.365 -11.193 -6.289 1.00 14.54 O ATOM 890 CB LYS A 115 23.155 -11.830 -5.489 1.00 17.32 C ATOM 891 CG LYS A 115 23.898 -12.963 -4.778 1.00 24.11 C ATOM 892 CD LYS A 115 24.284 -12.562 -3.361 1.00 29.11 C ATOM 893 CE LYS A 115 24.680 -13.799 -2.551 1.00 33.82 C ATOM 894 NZ LYS A 115 24.828 -13.516 -1.094 1.00 34.08 N ATOM 895 HA LYS A 115 22.014 -13.263 -6.589 1.00 0.00 H ATOM 896 HB2 LYS A 115 23.876 -11.055 -5.750 1.00 0.00 H ATOM 897 HB3 LYS A 115 22.415 -11.419 -4.802 1.00 0.00 H ATOM 898 HG2 LYS A 115 23.253 -13.841 -4.737 1.00 0.00 H ATOM 899 HG3 LYS A 115 24.801 -13.203 -5.339 1.00 0.00 H ATOM 900 HD2 LYS A 115 25.126 -11.871 -3.399 1.00 0.00 H ATOM 901 HD3 LYS A 115 23.436 -12.073 -2.881 1.00 0.00 H ATOM 902 HE2 LYS A 115 25.630 -14.174 -2.931 1.00 0.00 H ATOM 903 HE3 LYS A 115 23.912 -14.561 -2.681 1.00 0.00 H ATOM 904 HZ1 LYS A 115 25.566 -12.796 -0.955 1.00 0.00 H ATOM 905 HZ2 LYS A 115 23.924 -13.165 -0.717 1.00 0.00 H ATOM 906 HZ3 LYS A 115 25.097 -14.390 -0.598 1.00 0.00 H ATOM 907 H LYS A 115 24.158 -11.776 -8.003 1.00 0.00 H ATOM 908 N GLY A 116 21.325 -10.697 -8.252 1.00 13.84 N ATOM 909 CA GLY A 116 20.257 -9.780 -8.613 1.00 13.20 C ATOM 910 C GLY A 116 19.307 -10.367 -9.645 1.00 11.13 C ATOM 911 O GLY A 116 19.706 -11.159 -10.497 1.00 11.03 O ATOM 912 HA3 GLY A 116 20.700 -8.872 -9.022 1.00 0.00 H ATOM 913 HA2 GLY A 116 19.689 -9.534 -7.716 1.00 0.00 H ATOM 914 H GLY A 116 22.119 -10.854 -8.905 1.00 0.00 H ATOM 915 N ILE A 117 18.054 -9.947 -9.575 1.00 8.60 N ATOM 916 CA ILE A 117 17.053 -10.337 -10.576 1.00 12.86 C ATOM 917 C ILE A 117 16.007 -9.240 -10.617 1.00 13.33 C ATOM 918 O ILE A 117 15.757 -8.603 -9.587 1.00 9.95 O ATOM 919 CB ILE A 117 16.413 -11.723 -10.236 1.00 8.03 C ATOM 920 CG1 ILE A 117 15.621 -12.252 -11.438 1.00 15.54 C ATOM 921 CG2 ILE A 117 15.577 -11.654 -8.934 1.00 10.30 C ATOM 922 CD1 ILE A 117 15.286 -13.739 -11.372 1.00 15.69 C ATOM 923 HA ILE A 117 17.521 -10.452 -11.554 1.00 0.00 H ATOM 924 HB ILE A 117 17.208 -12.442 -10.039 1.00 0.00 H ATOM 925 HG12 ILE A 117 14.686 -11.695 -11.502 1.00 0.00 H ATOM 926 HG13 ILE A 117 16.210 -12.075 -12.338 1.00 0.00 H ATOM 927 HD11 ILE A 117 16.209 -14.316 -11.322 1.00 0.00 H ATOM 928 HD12 ILE A 117 14.684 -13.936 -10.485 1.00 0.00 H ATOM 929 HD13 ILE A 117 14.726 -14.024 -12.263 1.00 0.00 H ATOM 930 HG21 ILE A 117 16.220 -11.356 -8.106 1.00 0.00 H ATOM 931 HG22 ILE A 117 14.778 -10.923 -9.055 1.00 0.00 H ATOM 932 HG23 ILE A 117 15.147 -12.634 -8.728 1.00 0.00 H ATOM 933 H ILE A 117 17.771 -9.325 -8.791 1.00 0.00 H ATOM 934 N PHE A 118 15.443 -8.985 -11.803 1.00 8.09 N ATOM 935 CA PHE A 118 14.339 -8.037 -11.943 1.00 8.16 C ATOM 936 C PHE A 118 13.080 -8.827 -12.274 1.00 13.05 C ATOM 937 O PHE A 118 13.063 -9.629 -13.205 1.00 14.60 O ATOM 938 CB PHE A 118 14.619 -6.971 -13.043 1.00 8.44 C ATOM 939 CG PHE A 118 15.751 -6.061 -12.707 1.00 8.21 C ATOM 940 CD1 PHE A 118 17.052 -6.393 -13.040 1.00 10.16 C ATOM 941 CD2 PHE A 118 15.523 -4.911 -11.998 1.00 10.44 C ATOM 942 CE1 PHE A 118 18.124 -5.554 -12.672 1.00 10.54 C ATOM 943 CE2 PHE A 118 16.567 -4.053 -11.656 1.00 6.87 C ATOM 944 CZ PHE A 118 17.869 -4.381 -11.985 1.00 12.57 C ATOM 945 HA PHE A 118 14.217 -7.492 -11.007 1.00 0.00 H ATOM 946 HB2 PHE A 118 14.854 -7.487 -13.974 1.00 0.00 H ATOM 947 HB3 PHE A 118 13.720 -6.370 -13.180 1.00 0.00 H ATOM 948 HD2 PHE A 118 14.506 -4.662 -11.696 1.00 0.00 H ATOM 949 HE2 PHE A 118 16.357 -3.123 -11.129 1.00 0.00 H ATOM 950 HZ PHE A 118 18.689 -3.720 -11.705 1.00 0.00 H ATOM 951 HE1 PHE A 118 19.148 -5.828 -12.927 1.00 0.00 H ATOM 952 HD1 PHE A 118 17.250 -7.312 -13.592 1.00 0.00 H ATOM 953 H PHE A 118 15.800 -9.475 -12.648 1.00 0.00 H ATOM 954 N THR A 119 12.023 -8.587 -11.511 1.00 10.60 N ATOM 955 CA THR A 119 10.773 -9.282 -11.719 1.00 12.92 C ATOM 956 C THR A 119 9.608 -8.318 -11.536 1.00 11.31 C ATOM 957 O THR A 119 9.763 -7.255 -10.966 1.00 12.90 O ATOM 958 CB THR A 119 10.615 -10.445 -10.708 1.00 18.50 C ATOM 959 OG1 THR A 119 9.634 -11.367 -11.194 1.00 19.75 O ATOM 960 CG2 THR A 119 10.202 -9.905 -9.351 1.00 19.66 C ATOM 961 HA THR A 119 10.775 -9.683 -12.732 1.00 0.00 H ATOM 962 HB THR A 119 11.569 -10.961 -10.599 1.00 0.00 H ATOM 963 HG1 THR A 119 9.925 -11.726 -12.069 1.00 0.00 H ATOM 964 HG23 THR A 119 10.958 -9.205 -8.994 1.00 0.00 H ATOM 965 HG21 THR A 119 9.244 -9.392 -9.442 1.00 0.00 H ATOM 966 HG22 THR A 119 10.108 -10.731 -8.646 1.00 0.00 H ATOM 967 H THR A 119 12.095 -7.885 -10.747 1.00 0.00 H ATOM 968 N ARG A 120 8.432 -8.707 -12.016 1.00 10.99 N ATOM 969 CA ARG A 120 7.239 -7.929 -11.781 1.00 12.98 C ATOM 970 C ARG A 120 6.869 -7.935 -10.317 1.00 11.21 C ATOM 971 O ARG A 120 6.984 -8.963 -9.644 1.00 13.16 O ATOM 972 CB ARG A 120 6.085 -8.533 -12.589 1.00 14.84 C ATOM 973 CG ARG A 120 6.316 -8.430 -14.105 1.00 17.15 C ATOM 974 CD ARG A 120 6.525 -6.991 -14.567 1.00 19.73 C ATOM 975 NE ARG A 120 6.441 -6.899 -16.025 1.00 19.99 N ATOM 976 CZ ARG A 120 6.670 -5.801 -16.739 1.00 22.77 C ATOM 977 NH1 ARG A 120 7.017 -4.660 -16.151 1.00 17.99 N ATOM 978 NH2 ARG A 120 6.560 -5.855 -18.054 1.00 23.77 N ATOM 979 HA ARG A 120 7.427 -6.900 -12.088 1.00 0.00 H ATOM 980 HB2 ARG A 120 5.982 -9.584 -12.321 1.00 0.00 H ATOM 981 HB3 ARG A 120 5.166 -8.003 -12.338 1.00 0.00 H ATOM 982 HG2 ARG A 120 7.200 -9.013 -14.365 1.00 0.00 H ATOM 983 HG3 ARG A 120 5.447 -8.840 -14.620 1.00 0.00 H ATOM 984 HD2 ARG A 120 7.508 -6.650 -14.243 1.00 0.00 H ATOM 985 HD3 ARG A 120 5.757 -6.357 -14.123 1.00 0.00 H ATOM 986 HE ARG A 120 6.181 -7.762 -16.544 1.00 0.00 H ATOM 987 HH12 ARG A 120 7.192 -3.811 -16.726 1.00 0.00 H ATOM 988 HH11 ARG A 120 7.113 -4.616 -15.116 1.00 0.00 H ATOM 989 HH22 ARG A 120 6.736 -5.004 -18.626 1.00 0.00 H ATOM 990 HH21 ARG A 120 6.297 -6.748 -18.518 1.00 0.00 H ATOM 991 H ARG A 120 8.370 -9.585 -12.569 1.00 0.00 H ATOM 992 N PRO A 121 6.381 -6.804 -9.814 1.00 15.44 N ATOM 993 CA PRO A 121 5.980 -6.760 -8.407 1.00 18.83 C ATOM 994 C PRO A 121 4.905 -7.786 -8.080 1.00 21.33 C ATOM 995 O PRO A 121 4.842 -8.273 -6.949 1.00 19.54 O ATOM 996 CB PRO A 121 5.425 -5.350 -8.250 1.00 22.09 C ATOM 997 CG PRO A 121 6.148 -4.552 -9.266 1.00 21.92 C ATOM 998 CD PRO A 121 6.354 -5.477 -10.441 1.00 19.34 C ATOM 999 HA PRO A 121 6.809 -6.990 -7.738 1.00 0.00 H ATOM 1000 HD3 PRO A 121 5.532 -5.396 -11.153 1.00 0.00 H ATOM 1001 HD2 PRO A 121 7.295 -5.263 -10.948 1.00 0.00 H ATOM 1002 HG3 PRO A 121 7.108 -4.216 -8.873 1.00 0.00 H ATOM 1003 HG2 PRO A 121 5.555 -3.687 -9.562 1.00 0.00 H ATOM 1004 HB2 PRO A 121 4.352 -5.335 -8.440 1.00 0.00 H ATOM 1005 HB3 PRO A 121 5.621 -4.968 -7.248 1.00 0.00 H ATOM 1006 N SER A 122 4.052 -8.116 -9.047 1.00 22.61 N ATOM 1007 CA SER A 122 3.011 -9.107 -8.791 1.00 26.73 C ATOM 1008 C SER A 122 3.573 -10.493 -8.483 1.00 24.06 C ATOM 1009 O SER A 122 2.846 -11.358 -8.002 1.00 26.43 O ATOM 1010 CB SER A 122 2.026 -9.201 -9.963 1.00 33.00 C ATOM 1011 OG SER A 122 2.600 -9.924 -11.035 1.00 36.06 O ATOM 1012 HA SER A 122 2.483 -8.758 -7.904 1.00 0.00 H ATOM 1013 HB2 SER A 122 1.774 -8.196 -10.302 1.00 0.00 H ATOM 1014 HB3 SER A 122 1.120 -9.709 -9.631 1.00 0.00 H ATOM 1015 HG SER A 122 1.952 -9.975 -11.782 1.00 0.00 H ATOM 1016 H SER A 122 4.127 -7.669 -9.983 1.00 0.00 H ATOM 1017 N LYS A 123 4.856 -10.726 -8.749 1.00 15.77 N ATOM 1018 CA LYS A 123 5.417 -12.036 -8.440 1.00 14.19 C ATOM 1019 C LYS A 123 5.981 -12.103 -7.029 1.00 14.96 C ATOM 1020 O LYS A 123 6.519 -13.133 -6.627 1.00 16.08 O ATOM 1021 CB LYS A 123 6.525 -12.428 -9.408 1.00 20.35 C ATOM 1022 CG LYS A 123 6.169 -12.330 -10.865 1.00 27.60 C ATOM 1023 CD LYS A 123 5.312 -13.488 -11.308 1.00 33.25 C ATOM 1024 CE LYS A 123 5.510 -13.725 -12.797 1.00 37.07 C ATOM 1025 NZ LYS A 123 6.938 -14.063 -13.076 1.00 37.40 N ATOM 1026 HA LYS A 123 4.584 -12.733 -8.533 1.00 0.00 H ATOM 1027 HB2 LYS A 123 7.379 -11.776 -9.225 1.00 0.00 H ATOM 1028 HB3 LYS A 123 6.806 -13.460 -9.198 1.00 0.00 H ATOM 1029 HG2 LYS A 123 5.624 -11.401 -11.034 1.00 0.00 H ATOM 1030 HG3 LYS A 123 7.086 -12.324 -11.454 1.00 0.00 H ATOM 1031 HD2 LYS A 123 5.597 -14.384 -10.756 1.00 0.00 H ATOM 1032 HD3 LYS A 123 4.264 -13.261 -11.112 1.00 0.00 H ATOM 1033 HE2 LYS A 123 5.239 -12.823 -13.345 1.00 0.00 H ATOM 1034 HE3 LYS A 123 4.874 -14.550 -13.119 1.00 0.00 H ATOM 1035 HZ1 LYS A 123 7.545 -13.276 -12.771 1.00 0.00 H ATOM 1036 HZ2 LYS A 123 7.197 -14.925 -12.555 1.00 0.00 H ATOM 1037 HZ3 LYS A 123 7.062 -14.223 -14.096 1.00 0.00 H ATOM 1038 H LYS A 123 5.450 -9.984 -9.171 1.00 0.00 H ATOM 1039 N LEU A 124 5.862 -11.018 -6.277 1.00 15.08 N ATOM 1040 CA LEU A 124 6.479 -10.962 -4.950 1.00 13.87 C ATOM 1041 C LEU A 124 5.486 -11.189 -3.827 1.00 15.38 C ATOM 1042 O LEU A 124 4.301 -10.882 -3.956 1.00 17.94 O ATOM 1043 CB LEU A 124 7.145 -9.599 -4.731 1.00 15.06 C ATOM 1044 CG LEU A 124 8.181 -9.179 -5.761 1.00 15.46 C ATOM 1045 CD1 LEU A 124 8.686 -7.774 -5.454 1.00 13.49 C ATOM 1046 CD2 LEU A 124 9.339 -10.191 -5.733 1.00 15.29 C ATOM 1047 HA LEU A 124 7.215 -11.766 -4.924 1.00 0.00 H ATOM 1048 HB2 LEU A 124 6.360 -8.843 -4.723 1.00 0.00 H ATOM 1049 HB3 LEU A 124 7.635 -9.622 -3.758 1.00 0.00 H ATOM 1050 HG LEU A 124 7.735 -9.165 -6.755 1.00 0.00 H ATOM 1051 HD21 LEU A 124 9.786 -10.202 -4.739 1.00 0.00 H ATOM 1052 HD22 LEU A 124 8.958 -11.184 -5.972 1.00 0.00 H ATOM 1053 HD23 LEU A 124 10.090 -9.902 -6.468 1.00 0.00 H ATOM 1054 HD11 LEU A 124 7.850 -7.075 -5.481 1.00 0.00 H ATOM 1055 HD12 LEU A 124 9.140 -7.761 -4.463 1.00 0.00 H ATOM 1056 HD13 LEU A 124 9.427 -7.485 -6.199 1.00 0.00 H ATOM 1057 H LEU A 124 5.326 -10.200 -6.632 1.00 0.00 H ATOM 1058 N THR A 125 5.982 -11.749 -2.727 1.00 13.40 N ATOM 1059 CA THR A 125 5.239 -11.828 -1.488 1.00 11.26 C ATOM 1060 C THR A 125 6.063 -11.158 -0.381 1.00 17.00 C ATOM 1061 O THR A 125 7.254 -11.429 -0.233 1.00 14.05 O ATOM 1062 CB THR A 125 5.034 -13.290 -1.109 1.00 18.51 C ATOM 1063 OG1 THR A 125 4.389 -13.966 -2.199 1.00 14.84 O ATOM 1064 CG2 THR A 125 4.209 -13.427 0.160 1.00 21.32 C ATOM 1065 HA THR A 125 4.274 -11.335 -1.608 1.00 0.00 H ATOM 1066 HB THR A 125 6.007 -13.742 -0.913 1.00 0.00 H ATOM 1067 HG1 THR A 125 4.958 -13.905 -3.007 1.00 0.00 H ATOM 1068 HG23 THR A 125 4.712 -12.909 0.977 1.00 0.00 H ATOM 1069 HG21 THR A 125 3.224 -12.987 0.001 1.00 0.00 H ATOM 1070 HG22 THR A 125 4.101 -14.483 0.409 1.00 0.00 H ATOM 1071 H THR A 125 6.943 -12.146 -2.759 1.00 0.00 H ATOM 1072 N ARG A 126 5.418 -10.314 0.416 1.00 18.93 N ATOM 1073 CA ARG A 126 6.107 -9.621 1.502 1.00 25.24 C ATOM 1074 C ARG A 126 6.322 -10.552 2.680 1.00 24.93 C ATOM 1075 O ARG A 126 5.421 -11.310 3.034 1.00 29.12 O ATOM 1076 CB ARG A 126 5.285 -8.413 1.951 1.00 34.83 C ATOM 1077 CG ARG A 126 5.997 -7.493 2.926 1.00 40.70 C ATOM 1078 CD ARG A 126 5.197 -6.217 3.115 1.00 44.76 C ATOM 1079 NE ARG A 126 4.915 -5.570 1.836 1.00 49.23 N ATOM 1080 CZ ARG A 126 4.392 -4.355 1.709 1.00 53.88 C ATOM 1081 NH1 ARG A 126 4.085 -3.646 2.789 1.00 57.21 N ATOM 1082 NH2 ARG A 126 4.175 -3.845 0.501 1.00 54.69 N ATOM 1083 HA ARG A 126 7.078 -9.288 1.136 1.00 0.00 H ATOM 1084 HB2 ARG A 126 5.021 -7.833 1.067 1.00 0.00 H ATOM 1085 HB3 ARG A 126 4.376 -8.778 2.429 1.00 0.00 H ATOM 1086 HG2 ARG A 126 6.104 -7.998 3.886 1.00 0.00 H ATOM 1087 HG3 ARG A 126 6.984 -7.246 2.535 1.00 0.00 H ATOM 1088 HD2 ARG A 126 5.766 -5.531 3.742 1.00 0.00 H ATOM 1089 HD3 ARG A 126 4.254 -6.459 3.606 1.00 0.00 H ATOM 1090 HE ARG A 126 5.138 -6.095 0.967 1.00 0.00 H ATOM 1091 HH12 ARG A 126 3.676 -2.695 2.688 1.00 0.00 H ATOM 1092 HH11 ARG A 126 4.254 -4.041 3.736 1.00 0.00 H ATOM 1093 HH22 ARG A 126 3.766 -2.894 0.404 1.00 0.00 H ATOM 1094 HH21 ARG A 126 4.415 -4.397 -0.347 1.00 0.00 H ATOM 1095 H ARG A 126 4.403 -10.143 0.264 1.00 0.00 H TER 1096 ARG A 126 HETATM 1097 O HOH 1 18.818 -1.816 -18.887 1.00 15.92 O HETATM 1098 O HOH 2 17.533 -16.549 -2.661 1.00 14.84 O HETATM 1099 O HOH 3 18.548 -1.558 -21.657 1.00 25.25 O HETATM 1100 O HOH 4 9.842 0.264 -17.567 1.00 13.11 O HETATM 1101 O HOH 5 22.169 -5.147 -3.088 1.00 21.64 O HETATM 1102 O HOH 6 10.079 4.743 -12.171 1.00 19.50 O HETATM 1103 O HOH 7 25.037 -5.086 -17.567 1.00 23.75 O HETATM 1104 O HOH 8 19.288 -11.076 0.058 1.00 13.80 O HETATM 1105 O HOH 9 17.740 -17.794 3.211 1.00 19.13 O HETATM 1106 O HOH 10 18.121 -3.732 -23.133 1.00 39.09 O HETATM 1107 O HOH 11 16.090 -3.819 5.040 1.00 34.08 O HETATM 1108 O HOH 12 28.258 0.747 -12.788 1.00 36.15 O HETATM 1109 O HOH 13 22.124 -21.652 1.683 1.00 32.38 O HETATM 1110 O HOH 14 28.870 -1.223 -14.125 1.00 54.21 O HETATM 1111 O HOH 15 18.821 -14.944 5.315 1.00 27.81 O HETATM 1112 O HOH 16 5.730 -9.423 -17.401 1.00 39.76 O HETATM 1113 O HOH 17 26.440 -0.125 -14.838 1.00 35.77 O HETATM 1114 O HOH 18 22.872 -7.739 -19.243 1.00 42.45 O HETATM 1115 O HOH 19 7.544 1.807 -18.975 1.00 28.55 O HETATM 1116 O HOH 20 16.952 -19.284 -2.611 1.00 21.84 O HETATM 1117 O HOH 21 10.460 2.527 -1.893 1.00 29.97 O HETATM 1118 O HOH 22 16.227 2.684 -5.305 1.00 53.31 O HETATM 1119 O HOH 23 13.989 2.422 -6.603 1.00 22.13 O HETATM 1120 O HOH 24 12.647 4.035 -9.479 1.00 24.34 O HETATM 1121 O HOH 25 11.166 3.177 -18.432 1.00 29.87 O HETATM 1122 O HOH 26 26.016 -11.084 -12.528 1.00 25.65 O HETATM 1123 O HOH 27 3.341 -1.252 -20.118 1.00 24.38 O HETATM 1124 O HOH 28 15.831 -17.187 4.687 1.00 36.08 O HETATM 1125 O HOH 29 3.335 -6.492 -11.656 1.00 20.07 O HETATM 1126 O HOH 30 21.874 2.926 -9.106 1.00 27.18 O HETATM 1127 O HOH 31 23.562 1.549 -7.546 1.00 30.22 O HETATM 1128 O HOH 32 13.447 -22.652 -3.766 1.00 28.20 O HETATM 1129 O HOH 33 28.239 -13.916 -6.433 1.00 20.92 O HETATM 1130 O HOH 34 18.199 1.581 -6.359 1.00 34.43 O HETATM 1131 O HOH 35 8.450 -10.012 6.172 1.00 40.11 O HETATM 1132 O HOH 36 18.438 -19.602 1.667 1.00 25.91 O HETATM 1133 O HOH 37 24.699 -2.332 -2.240 1.00 52.88 O HETATM 1134 O HOH 38 22.394 -0.700 -4.493 1.00 27.72 O HETATM 1135 O HOH 39 25.485 -8.606 -2.574 1.00 34.59 O HETATM 1136 O HOH 40 22.401 4.386 -13.009 1.00 16.52 O HETATM 1137 O HOH 41 4.429 -15.891 -8.319 1.00 16.59 O HETATM 1138 O HOH 42 2.504 -9.946 -0.374 1.00 33.26 O HETATM 1139 O HOH 43 3.687 -2.734 -14.934 1.00 27.74 O HETATM 1140 O HOH 44 14.949 -14.291 -18.262 1.00 42.02 O HETATM 1141 O HOH 45 26.130 2.198 -15.655 1.00 41.95 O HETATM 1142 O HOH 46 17.095 -11.654 -20.488 1.00 44.76 O HETATM 1143 O HOH 47 5.646 -14.516 -4.351 1.00 10.27 O HETATM 1144 O HOH 48 22.736 -23.175 -1.260 1.00 34.67 O HETATM 1145 O HOH 49 10.312 -19.359 -8.065 1.00 36.72 O HETATM 1146 O HOH 50 25.680 -15.975 -0.327 1.00 54.25 O HETATM 1147 O HOH 51 10.709 -6.204 5.302 1.00 29.40 O HETATM 1148 O HOH 52 6.684 -11.754 5.342 1.00 41.18 O HETATM 1149 O HOH 53 11.366 -1.167 3.844 1.00 44.93 O HETATM 1150 O HOH 54 7.458 -6.679 -21.210 1.00 44.07 O HETATM 1151 O HOH 55 30.287 -1.796 -10.456 1.00 46.64 O HETATM 1152 O HOH 56 24.736 -8.341 -14.835 1.00 46.68 O HETATM 1153 O HOH 57 23.628 -9.895 -16.706 1.00 52.73 O HETATM 1154 O HOH 58 4.740 -10.415 5.780 1.00 44.95 O HETATM 1155 O HOH 59 27.839 -5.740 -3.927 1.00 34.89 O HETATM 1156 O HOH 60 23.210 -19.728 -10.362 1.00 35.02 O HETATM 1157 O HOH 61 21.514 -21.719 -10.281 1.00 36.84 O HETATM 1158 O HOH 62 8.697 -11.153 -14.042 1.00 16.06 O HETATM 1159 O HOH 63 10.400 -23.908 -11.834 1.00 40.96 O HETATM 1160 O HOH 64 8.158 -10.407 -18.427 1.00 32.12 O HETATM 1161 O HOH 65 19.121 -9.659 -17.885 1.00 28.92 O HETATM 1162 O HOH 66 7.901 -20.063 -13.940 1.00 30.91 O HETATM 1163 O HOH 67 9.949 -10.726 -20.123 1.00 35.76 O HETATM 1164 O HOH 68 12.047 -15.137 -20.056 1.00 45.48 O HETATM 1165 O HOH 69 9.698 -24.600 -18.943 1.00 33.40 O HETATM 1166 N ASP A 70 16.669 -21.405 -14.415 1.00 0.24 N HETATM 1167 CA ASP A 70 15.504 -22.276 -14.397 1.00 0.08 C HETATM 1168 C ASP A 70 14.228 -21.509 -14.753 1.00 0.23 C HETATM 1169 O ASP A 70 14.242 -20.284 -14.842 1.00 -0.39 O HETATM 1170 N ASP A 70 13.129 -22.237 -14.945 1.00 -0.26 N HETATM 1171 CA ASP A 70 11.901 -21.663 -15.504 1.00 0.15 C HETATM 1172 C ASP A 70 11.314 -20.498 -14.716 1.00 0.21 C HETATM 1173 O ASP A 70 10.705 -19.605 -15.298 1.00 -0.39 O HETATM 1174 N ASP A 70 11.479 -20.509 -13.398 1.00 -0.26 N HETATM 1175 CA ASP A 70 10.936 -19.433 -12.571 1.00 0.14 C HETATM 1176 C ASP A 70 11.460 -18.058 -12.998 1.00 0.21 C HETATM 1177 O ASP A 70 10.831 -17.032 -12.717 1.00 -0.39 O HETATM 1178 N ASP A 70 12.599 -18.044 -13.692 1.00 -0.26 N HETATM 1179 CA ASP A 70 13.235 -16.794 -14.117 1.00 0.13 C HETATM 1180 C ASP A 70 12.783 -16.333 -15.494 1.00 0.20 C HETATM 1181 O ASP A 70 13.265 -15.320 -16.007 1.00 -0.39 O HETATM 1182 N ASP A 70 11.871 -17.084 -16.103 1.00 -0.26 N HETATM 1183 CA ASP A 70 11.242 -16.646 -17.336 1.00 0.14 C HETATM 1184 C ASP A 70 10.520 -15.327 -17.095 1.00 0.21 C HETATM 1185 O ASP A 70 9.820 -15.171 -16.091 1.00 -0.39 O HETATM 1186 N ASP A 70 10.698 -14.374 -18.007 1.00 -0.27 N HETATM 1187 CA ASP A 70 10.022 -13.097 -17.898 1.00 0.12 C HETATM 1188 C ASP A 70 10.678 -12.190 -16.873 1.00 0.20 C HETATM 1189 O ASP A 70 10.097 -11.187 -16.476 1.00 -0.39 O HETATM 1190 N ASP A 70 11.875 -12.571 -16.434 1.00 -0.26 N HETATM 1191 CA ASP A 70 12.681 -11.772 -15.518 1.00 0.14 C HETATM 1192 C ASP A 70 13.930 -11.292 -16.222 1.00 0.20 C HETATM 1193 O ASP A 70 14.306 -11.827 -17.264 1.00 -0.39 O HETATM 1194 N ASP A 70 14.596 -10.302 -15.636 1.00 -0.27 N HETATM 1195 CA ASP A 70 15.849 -9.804 -16.195 1.00 0.10 C HETATM 1196 C ASP A 70 16.950 -9.846 -15.150 1.00 0.06 C HETATM 1197 O ASP A 70 16.687 -10.031 -13.957 1.00 -0.57 O HETATM 1198 OXT ASP A 70 18.128 -9.695 -15.484 1.00 -0.57 O HETATM 1199 CB ASP A 70 15.696 -8.377 -16.746 1.00 0.01 C HETATM 1200 CG ASP A 70 14.823 -8.297 -17.979 1.00 -0.05 C HETATM 1201 CD1 ASP A 70 15.386 -8.208 -19.238 1.00 -0.07 C HETATM 1202 CE1 ASP A 70 14.595 -8.149 -20.368 1.00 -0.04 C HETATM 1203 CZ ASP A 70 13.220 -8.185 -20.243 1.00 0.08 C HETATM 1204 CE2 ASP A 70 12.634 -8.280 -19.003 1.00 -0.04 C HETATM 1205 CD2 ASP A 70 13.442 -8.322 -17.877 1.00 -0.07 C HETATM 1206 H52 ASP A 70 12.983 -8.376 -16.896 1.00 0.05 H HETATM 1207 H54 ASP A 70 11.555 -8.322 -18.907 1.00 0.05 H HETATM 1208 OH ASP A 70 12.436 -8.123 -21.365 1.00 -0.34 O HETATM 1209 H55 ASP A 70 12.990 -8.061 -22.134 1.00 0.25 H HETATM 1210 H53 ASP A 70 15.051 -8.075 -21.349 1.00 0.05 H HETATM 1211 H51 ASP A 70 16.465 -8.184 -19.340 1.00 0.05 H HETATM 1212 H49 ASP A 70 16.695 -7.993 -17.001 1.00 0.04 H HETATM 1213 H50 ASP A 70 15.250 -7.747 -15.962 1.00 0.04 H HETATM 1214 H48 ASP A 70 16.137 -10.463 -17.027 1.00 0.07 H HETATM 1215 H47 ASP A 70 14.233 -9.892 -14.799 1.00 0.19 H HETATM 1216 CB ASP A 70 13.120 -12.606 -14.315 1.00 0.03 C HETATM 1217 SG ASP A 70 11.804 -13.013 -13.185 1.00 -0.17 S HETATM 1218 H46 ASP A 70 11.398 -12.164 -12.824 1.00 0.10 H HETATM 1219 H44 ASP A 70 13.884 -12.039 -13.764 1.00 0.04 H HETATM 1220 H45 ASP A 70 13.557 -13.544 -14.687 1.00 0.04 H HETATM 1221 H43 ASP A 70 12.091 -10.909 -15.175 1.00 0.08 H HETATM 1222 H42 ASP A 70 12.240 -13.448 -16.747 1.00 0.19 H HETATM 1223 H40 ASP A 70 8.978 -13.273 -17.600 1.00 0.08 H HETATM 1224 H41 ASP A 70 10.044 -12.599 -18.878 1.00 0.08 H HETATM 1225 H39 ASP A 70 11.309 -14.542 -18.781 1.00 0.19 H HETATM 1226 CB ASP A 70 10.248 -17.702 -17.834 1.00 0.04 C HETATM 1227 CG ASP A 70 10.935 -18.946 -18.346 1.00 0.04 C HETATM 1228 OD1 ASP A 70 12.185 -18.988 -18.312 1.00 -0.57 O HETATM 1229 OD2 ASP A 70 10.227 -19.881 -18.785 1.00 -0.57 O HETATM 1230 H37 ASP A 70 9.651 -17.268 -18.649 1.00 0.05 H HETATM 1231 H38 ASP A 70 9.585 -17.982 -17.003 1.00 0.05 H HETATM 1232 H36 ASP A 70 12.018 -16.497 -18.101 1.00 0.08 H HETATM 1233 H35 ASP A 70 11.614 -17.965 -15.706 1.00 0.19 H HETATM 1234 CB ASP A 70 14.759 -16.921 -14.099 1.00 -0.01 C HETATM 1235 CG ASP A 70 15.344 -17.074 -12.718 1.00 -0.04 C HETATM 1236 CD ASP A 70 16.867 -17.029 -12.749 1.00 -0.01 C HETATM 1237 CE ASP A 70 17.438 -18.160 -13.588 1.00 -0.04 C HETATM 1238 NZ ASP A 70 18.887 -18.368 -13.312 1.00 0.22 N HETATM 1239 H32 ASP A 70 19.233 -19.123 -13.883 1.00 0.20 H HETATM 1240 H33 ASP A 70 19.014 -18.598 -12.339 1.00 0.20 H HETATM 1241 H34 ASP A 70 19.395 -17.524 -13.527 1.00 0.20 H HETATM 1242 H30 ASP A 70 17.309 -17.916 -14.653 1.00 0.08 H HETATM 1243 H31 ASP A 70 16.893 -19.087 -13.356 1.00 0.08 H HETATM 1244 H28 ASP A 70 17.249 -17.118 -11.721 1.00 0.03 H HETATM 1245 H29 ASP A 70 17.188 -16.068 -13.178 1.00 0.03 H HETATM 1246 H26 ASP A 70 15.023 -18.039 -12.299 1.00 0.03 H HETATM 1247 H27 ASP A 70 14.975 -16.257 -12.081 1.00 0.03 H HETATM 1248 H24 ASP A 70 15.187 -16.018 -14.558 1.00 0.03 H HETATM 1249 H25 ASP A 70 15.040 -17.803 -14.694 1.00 0.03 H HETATM 1250 H23 ASP A 70 12.948 -16.017 -13.393 1.00 0.08 H HETATM 1251 H22 ASP A 70 13.032 -18.913 -13.930 1.00 0.19 H HETATM 1252 CB ASP A 70 11.220 -19.686 -11.086 1.00 0.00 C HETATM 1253 CG ASP A 70 12.665 -19.566 -10.715 1.00 -0.04 C HETATM 1254 CD1 ASP A 70 13.602 -20.554 -10.744 1.00 0.02 C HETATM 1255 NE1 ASP A 70 14.816 -20.064 -10.336 1.00 -0.29 N HETATM 1256 CE2 ASP A 70 14.681 -18.737 -10.024 1.00 0.06 C HETATM 1257 CD2 ASP A 70 13.337 -18.387 -10.249 1.00 -0.02 C HETATM 1258 CE3 ASP A 70 12.933 -17.069 -10.004 1.00 -0.07 C HETATM 1259 CZ3 ASP A 70 13.869 -16.160 -9.545 1.00 -0.08 C HETATM 1260 CH2 ASP A 70 15.199 -16.538 -9.330 1.00 -0.08 C HETATM 1261 CZ2 ASP A 70 15.624 -17.819 -9.558 1.00 -0.04 C HETATM 1262 H19 ASP A 70 16.654 -18.110 -9.383 1.00 0.05 H HETATM 1263 H21 ASP A 70 15.909 -15.800 -8.975 1.00 0.05 H HETATM 1264 H20 ASP A 70 13.567 -15.138 -9.348 1.00 0.05 H HETATM 1265 H18 ASP A 70 11.905 -16.767 -10.171 1.00 0.05 H HETATM 1266 H17 ASP A 70 15.689 -20.607 -10.274 1.00 0.22 H HETATM 1267 H16 ASP A 70 13.414 -21.583 -11.047 1.00 0.08 H HETATM 1268 H14 ASP A 70 10.882 -20.703 -10.837 1.00 0.04 H HETATM 1269 H15 ASP A 70 10.649 -18.955 -10.495 1.00 0.04 H HETATM 1270 H13 ASP A 70 9.845 -19.429 -12.708 1.00 0.08 H HETATM 1271 H12 ASP A 70 11.979 -21.260 -12.968 1.00 0.19 H HETATM 1272 CB ASP A 70 10.832 -22.738 -15.699 1.00 0.08 C HETATM 1273 OG ASP A 70 11.163 -23.585 -16.782 1.00 -0.39 O HETATM 1274 H11 ASP A 70 10.487 -24.244 -16.885 1.00 0.21 H HETATM 1275 H9 ASP A 70 9.866 -22.253 -15.903 1.00 0.06 H HETATM 1276 H10 ASP A 70 10.754 -23.340 -14.781 1.00 0.06 H HETATM 1277 H8 ASP A 70 12.164 -21.273 -16.498 1.00 0.08 H HETATM 1278 H7 ASP A 70 13.142 -23.206 -14.700 1.00 0.19 H HETATM 1279 CB ASP A 70 15.364 -22.944 -13.035 1.00 0.06 C HETATM 1280 CG ASP A 70 14.364 -24.073 -13.051 1.00 0.04 C HETATM 1281 OD1 ASP A 70 14.552 -25.016 -13.847 1.00 -0.57 O HETATM 1282 OD2 ASP A 70 13.391 -24.012 -12.275 1.00 -0.57 O HETATM 1283 H5 ASP A 70 15.035 -22.191 -12.304 1.00 0.05 H HETATM 1284 H6 ASP A 70 16.344 -23.344 -12.735 1.00 0.05 H HETATM 1285 H4 ASP A 70 15.652 -23.061 -15.153 1.00 0.11 H HETATM 1286 H1 ASP A 70 17.491 -21.938 -14.177 1.00 0.20 H HETATM 1287 H2 ASP A 70 16.544 -20.663 -13.744 1.00 0.20 H HETATM 1288 H3 ASP A 70 16.779 -21.011 -15.336 1.00 0.20 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1166 1167 1286 1287 1288 CONECT 1167 1166 1168 1279 1285 CONECT 1168 1167 1169 1170 CONECT 1169 1168 CONECT 1170 1168 1171 1278 CONECT 1171 1170 1172 1272 1277 CONECT 1172 1171 1173 1174 CONECT 1173 1172 CONECT 1174 1172 1175 1271 CONECT 1175 1174 1176 1252 1270 CONECT 1176 1175 1177 1178 CONECT 1177 1176 CONECT 1178 1176 1179 1251 CONECT 1179 1178 1180 1234 1250 CONECT 1180 1179 1181 1182 CONECT 1181 1180 CONECT 1182 1180 1183 1233 CONECT 1183 1182 1184 1226 1232 CONECT 1184 1183 1185 1186 CONECT 1185 1184 CONECT 1186 1184 1187 1225 CONECT 1187 1186 1188 1223 1224 CONECT 1188 1187 1189 1190 CONECT 1189 1188 CONECT 1190 1188 1191 1222 CONECT 1191 1190 1192 1216 1221 CONECT 1192 1191 1193 1194 CONECT 1193 1192 CONECT 1194 1192 1195 1215 CONECT 1195 1194 1196 1199 1214 CONECT 1196 1195 1197 1198 CONECT 1197 1196 CONECT 1198 1196 CONECT 1199 1195 1200 1212 1213 CONECT 1200 1199 1201 1205 CONECT 1201 1200 1202 1211 CONECT 1202 1201 1203 1210 CONECT 1203 1202 1204 1208 CONECT 1204 1203 1205 1207 CONECT 1205 1200 1204 1206 CONECT 1206 1205 CONECT 1207 1204 CONECT 1208 1203 1209 CONECT 1209 1208 CONECT 1210 1202 CONECT 1211 1201 CONECT 1212 1199 CONECT 1213 1199 CONECT 1214 1195 CONECT 1215 1194 CONECT 1216 1191 1217 1219 1220 CONECT 1217 1216 1218 CONECT 1218 1217 CONECT 1219 1216 CONECT 1220 1216 CONECT 1221 1191 CONECT 1222 1190 CONECT 1223 1187 CONECT 1224 1187 CONECT 1225 1186 CONECT 1226 1183 1227 1230 1231 CONECT 1227 1226 1228 1229 CONECT 1228 1227 CONECT 1229 1227 CONECT 1230 1226 CONECT 1231 1226 CONECT 1232 1183 CONECT 1233 1182 CONECT 1234 1179 1235 1248 1249 CONECT 1235 1234 1236 1246 1247 CONECT 1236 1235 1237 1244 1245 CONECT 1237 1236 1238 1242 1243 CONECT 1238 1237 1239 1240 1241 CONECT 1239 1238 CONECT 1240 1238 CONECT 1241 1238 CONECT 1242 1237 CONECT 1243 1237 CONECT 1244 1236 CONECT 1245 1236 CONECT 1246 1235 CONECT 1247 1235 CONECT 1248 1234 CONECT 1249 1234 CONECT 1250 1179 CONECT 1251 1178 CONECT 1252 1175 1253 1268 1269 CONECT 1253 1252 1254 1257 CONECT 1254 1253 1255 1267 CONECT 1255 1254 1256 1266 CONECT 1256 1255 1257 1261 CONECT 1257 1253 1256 1258 CONECT 1258 1257 1259 1265 CONECT 1259 1258 1260 1264 CONECT 1260 1259 1261 1263 CONECT 1261 1256 1260 1262 CONECT 1262 1261 CONECT 1263 1260 CONECT 1264 1259 CONECT 1265 1258 CONECT 1266 1255 CONECT 1267 1254 CONECT 1268 1252 CONECT 1269 1252 CONECT 1270 1175 CONECT 1271 1174 CONECT 1272 1171 1273 1275 1276 CONECT 1273 1272 1274 CONECT 1274 1273 CONECT 1275 1272 CONECT 1276 1272 CONECT 1277 1171 CONECT 1278 1170 CONECT 1279 1167 1280 1283 1284 CONECT 1280 1279 1281 1282 CONECT 1281 1280 CONECT 1282 1280 CONECT 1283 1279 CONECT 1284 1279 CONECT 1285 1167 CONECT 1286 1166 CONECT 1287 1166 CONECT 1288 1166 MASTER 0 0 0 0 0 0 0 0 1287 1 127 6 END
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Entry Information
PDB ID
3rdv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
CAP-Gly domain-containing linker protein 1
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.75(Å)
Affinity (Kd/Ki/IC50)
Kd=12.3uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Cell Biol. Vol. 193: pp. 1083-1099
Ligand Properties
Formula
C
4
2
H
5
8
N
1
0
O
1
5
S
Molecular Weight
975.033
Exact Mass
974.380
No. of atoms
126
No. of bonds
128
Polar Surface Area
465.93
LOGP Value
-3.84 (
Computed with XLOGP3
)
-2.60 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 12
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 3
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)CS)CC(=O)O)NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)[NH3+])CO
InChI String
InChI=1S/C42H56N10O15S/c43-12-4-3-7-27(48-39(63)28(14-22-17-45-26-6-2-1-5-24(22)26)49-40(64)31(19-53)52-36(60)25(44)15-34(56)57)38(62)50-29(16-35(58)59)37(61)46-18-33(55)47-32(20-68)41(65)51-30(42(66)67)13-21-8-10-23(54)11-9-21/h1-2,5-6,8-11,17,25,27-32,45,53-54,68H,3-4,7,12-16,18-20,43-44H2,(H,46,61)(H,47,55)(H,48,63)(H,49,64)(H,50,62)(H,51,65)(H,52,60)(H,56,57)(H,58,59)(H,66,67)/p+2/t25-,27-,28-,29-,30-,31-,32-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q9P270
P30622
Entrez Gene ID
NCBI Entrez Gene ID:
57606
6249
ASD
Information of known allosteric effects of PDB entries
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