Browse entries in the PDBbind-CN Database
HEADER 2GFA_COMPLEX COMPND 2GFA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 53 ALA LEU GLN SER ILE THR ALA GLY GLN LYS VAL ILE SER SEQRES 2 A 53 LYS HIS LYS ASN GLY ARG PHE TYR GLN CYS GLU VAL VAL SEQRES 3 A 53 ARG LEU THR THR GLU THR PHE TYR GLU VAL ASN PHE ASP SEQRES 4 A 53 ASP GLY SER PHE SER ASP ASN LEU TYR PRO GLU ASP ILE SEQRES 5 A 53 VAL SEQRES 1 A 54 GLY PRO PRO ALA GLU GLY GLU VAL VAL GLN VAL ARG TRP SEQRES 2 A 54 THR ASP GLY GLN VAL TYR GLY ALA LYS PHE VAL ALA SER SEQRES 3 A 54 HIS PRO ILE GLN MET TYR GLN VAL GLU PHE GLU ASP GLY SEQRES 4 A 54 SER GLN LEU VAL VAL LYS ARG ASP ASP VAL TYR THR LEU SEQRES 5 A 54 ASP GLU HET ALA A 211 124 ATOM 1 N ALA A 895 41.134 51.442 -22.825 1.00 31.11 N ATOM 2 CA ALA A 895 40.586 50.350 -21.952 1.00 31.36 C ATOM 3 C ALA A 895 39.886 49.246 -22.750 1.00 29.86 C ATOM 4 O ALA A 895 39.451 49.464 -23.884 1.00 30.17 O ATOM 5 CB ALA A 895 39.607 50.937 -20.941 1.00 28.06 C ATOM 6 HA ALA A 895 41.437 49.897 -21.443 1.00 0.00 H ATOM 7 HB1 ALA A 895 40.123 51.670 -20.321 1.00 0.00 H ATOM 8 HB2 ALA A 895 38.786 51.421 -21.471 1.00 0.00 H ATOM 9 HB3 ALA A 895 39.214 50.138 -20.312 1.00 0.00 H ATOM 10 HN3 ALA A 895 40.357 51.880 -23.359 1.00 0.00 H ATOM 11 HN2 ALA A 895 41.828 51.040 -23.487 1.00 0.00 H ATOM 12 HN1 ALA A 895 41.596 52.160 -22.231 1.00 0.00 H ATOM 13 N LEU A 896 39.783 48.063 -22.147 1.00 27.71 N ATOM 14 CA LEU A 896 39.114 46.946 -22.786 1.00 27.06 C ATOM 15 C LEU A 896 37.624 47.054 -22.500 1.00 28.61 C ATOM 16 O LEU A 896 37.209 47.372 -21.389 1.00 29.31 O ATOM 17 CB LEU A 896 39.641 45.609 -22.262 1.00 26.48 C ATOM 18 CG LEU A 896 40.939 45.105 -22.899 1.00 25.98 C ATOM 19 CD1 LEU A 896 42.121 45.868 -22.347 1.00 26.95 C ATOM 20 CD2 LEU A 896 41.094 43.627 -22.611 1.00 28.05 C ATOM 21 HA LEU A 896 39.306 46.982 -23.858 1.00 0.00 H ATOM 22 HB2 LEU A 896 39.813 45.715 -21.191 1.00 0.00 H ATOM 23 HB3 LEU A 896 38.871 44.856 -22.432 1.00 0.00 H ATOM 24 HG LEU A 896 40.898 45.263 -23.977 1.00 0.00 H ATOM 25 HD21 LEU A 896 41.130 43.470 -21.533 1.00 0.00 H ATOM 26 HD22 LEU A 896 40.246 43.086 -23.030 1.00 0.00 H ATOM 27 HD23 LEU A 896 42.017 43.265 -23.063 1.00 0.00 H ATOM 28 HD11 LEU A 896 42.002 46.929 -22.568 1.00 0.00 H ATOM 29 HD12 LEU A 896 42.173 45.724 -21.268 1.00 0.00 H ATOM 30 HD13 LEU A 896 43.037 45.500 -22.808 1.00 0.00 H ATOM 31 H LEU A 896 40.191 47.938 -21.198 1.00 0.00 H ATOM 32 N GLN A 897 36.814 46.788 -23.510 1.00 26.87 N ATOM 33 CA GLN A 897 35.385 46.870 -23.343 1.00 28.16 C ATOM 34 C GLN A 897 34.909 45.844 -22.309 1.00 28.87 C ATOM 35 O GLN A 897 35.512 44.785 -22.139 1.00 25.82 O ATOM 36 CB GLN A 897 34.721 46.625 -24.695 1.00 30.67 C ATOM 37 CG GLN A 897 33.285 47.075 -24.781 1.00 37.93 C ATOM 38 CD GLN A 897 33.074 48.138 -25.846 1.00 40.01 C ATOM 39 OE1 GLN A 897 33.553 48.007 -26.979 1.00 41.00 O ATOM 40 NE2 GLN A 897 32.345 49.198 -25.490 1.00 42.58 N ATOM 41 HA GLN A 897 35.111 47.860 -22.978 1.00 0.00 H ATOM 42 HB2 GLN A 897 35.291 47.159 -25.455 1.00 0.00 H ATOM 43 HB3 GLN A 897 34.755 45.555 -24.902 1.00 0.00 H ATOM 44 HG2 GLN A 897 32.661 46.213 -25.018 1.00 0.00 H ATOM 45 HG3 GLN A 897 32.987 47.483 -23.815 1.00 0.00 H ATOM 46 HE22 GLN A 897 31.962 49.266 -24.525 1.00 0.00 H ATOM 47 HE21 GLN A 897 32.160 49.956 -26.177 1.00 0.00 H ATOM 48 H GLN A 897 37.211 46.517 -24.432 1.00 0.00 H ATOM 49 N SER A 898 33.831 46.170 -21.606 1.00 28.18 N ATOM 50 CA SER A 898 33.288 45.250 -20.622 1.00 28.35 C ATOM 51 C SER A 898 31.785 45.408 -20.517 1.00 27.15 C ATOM 52 O SER A 898 31.216 46.413 -20.931 1.00 26.19 O ATOM 53 CB SER A 898 33.909 45.489 -19.245 1.00 29.22 C ATOM 54 OG SER A 898 33.386 46.666 -18.654 1.00 32.44 O ATOM 55 HA SER A 898 33.528 44.239 -20.952 1.00 0.00 H ATOM 56 HB2 SER A 898 34.989 45.592 -19.353 1.00 0.00 H ATOM 57 HB3 SER A 898 33.689 44.637 -18.601 1.00 0.00 H ATOM 58 HG SER A 898 33.587 47.443 -19.234 1.00 0.00 H ATOM 59 H SER A 898 33.372 47.090 -21.761 1.00 0.00 H ATOM 60 N ILE A 899 31.149 44.388 -19.963 1.00 27.97 N ATOM 61 CA ILE A 899 29.715 44.391 -19.767 1.00 27.07 C ATOM 62 C ILE A 899 29.515 44.610 -18.280 1.00 28.08 C ATOM 63 O ILE A 899 30.207 44.000 -17.463 1.00 28.83 O ATOM 64 CB ILE A 899 29.092 43.040 -20.184 1.00 26.34 C ATOM 65 CG1 ILE A 899 29.229 42.862 -21.698 1.00 27.17 C ATOM 66 CG2 ILE A 899 27.630 42.976 -19.765 1.00 24.72 C ATOM 67 CD1 ILE A 899 28.745 41.530 -22.200 1.00 26.78 C ATOM 68 HA ILE A 899 29.236 45.161 -20.372 1.00 0.00 H ATOM 69 HB ILE A 899 29.621 42.230 -19.682 1.00 0.00 H ATOM 70 HG12 ILE A 899 28.652 43.645 -22.190 1.00 0.00 H ATOM 71 HG13 ILE A 899 30.281 42.967 -21.963 1.00 0.00 H ATOM 72 HD11 ILE A 899 29.320 40.734 -21.727 1.00 0.00 H ATOM 73 HD12 ILE A 899 27.690 41.412 -21.954 1.00 0.00 H ATOM 74 HD13 ILE A 899 28.875 41.481 -23.281 1.00 0.00 H ATOM 75 HG21 ILE A 899 27.559 43.081 -18.682 1.00 0.00 H ATOM 76 HG22 ILE A 899 27.080 43.784 -20.246 1.00 0.00 H ATOM 77 HG23 ILE A 899 27.208 42.017 -20.067 1.00 0.00 H ATOM 78 H ILE A 899 31.697 43.558 -19.659 1.00 0.00 H ATOM 79 N THR A 900 28.578 45.482 -17.927 1.00 28.18 N ATOM 80 CA THR A 900 28.320 45.766 -16.523 1.00 29.24 C ATOM 81 C THR A 900 26.832 45.762 -16.191 1.00 29.28 C ATOM 82 O THR A 900 25.984 45.838 -17.083 1.00 27.44 O ATOM 83 CB THR A 900 28.907 47.131 -16.134 1.00 29.64 C ATOM 84 OG1 THR A 900 28.441 48.125 -17.053 1.00 30.48 O ATOM 85 CG2 THR A 900 30.426 47.092 -16.170 1.00 30.42 C ATOM 86 HA THR A 900 28.800 44.970 -15.954 1.00 0.00 H ATOM 87 HB THR A 900 28.585 47.374 -15.121 1.00 0.00 H ATOM 88 HG1 THR A 900 28.818 49.006 -16.804 1.00 0.00 H ATOM 89 HG23 THR A 900 30.785 46.336 -15.472 1.00 0.00 H ATOM 90 HG21 THR A 900 30.758 46.844 -17.178 1.00 0.00 H ATOM 91 HG22 THR A 900 30.820 48.068 -15.886 1.00 0.00 H ATOM 92 H THR A 900 28.023 45.967 -18.661 1.00 0.00 H ATOM 93 N ALA A 901 26.520 45.674 -14.901 1.00 28.87 N ATOM 94 CA ALA A 901 25.131 45.674 -14.455 1.00 28.65 C ATOM 95 C ALA A 901 24.416 46.910 -14.986 1.00 27.54 C ATOM 96 O ALA A 901 24.983 47.991 -15.025 1.00 25.79 O ATOM 97 CB ALA A 901 25.066 45.648 -12.930 1.00 31.13 C ATOM 98 HA ALA A 901 24.637 44.783 -14.842 1.00 0.00 H ATOM 99 HB1 ALA A 901 25.559 44.748 -12.562 1.00 0.00 H ATOM 100 HB2 ALA A 901 25.569 46.529 -12.531 1.00 0.00 H ATOM 101 HB3 ALA A 901 24.023 45.648 -12.612 1.00 0.00 H ATOM 102 H ALA A 901 27.282 45.604 -14.196 1.00 0.00 H ATOM 103 N GLY A 902 23.167 46.735 -15.398 1.00 28.11 N ATOM 104 CA GLY A 902 22.390 47.843 -15.916 1.00 29.12 C ATOM 105 C GLY A 902 22.532 48.026 -17.412 1.00 29.24 C ATOM 106 O GLY A 902 21.771 48.772 -18.029 1.00 28.65 O ATOM 107 HA3 GLY A 902 22.719 48.757 -15.422 1.00 0.00 H ATOM 108 HA2 GLY A 902 21.339 47.666 -15.687 1.00 0.00 H ATOM 109 H GLY A 902 22.739 45.788 -15.348 1.00 0.00 H ATOM 110 N GLN A 903 23.493 47.328 -18.005 1.00 27.96 N ATOM 111 CA GLN A 903 23.725 47.459 -19.430 1.00 27.01 C ATOM 112 C GLN A 903 22.617 46.872 -20.281 1.00 25.65 C ATOM 113 O GLN A 903 22.174 45.743 -20.076 1.00 23.31 O ATOM 114 CB GLN A 903 25.056 46.815 -19.829 1.00 26.37 C ATOM 115 CG GLN A 903 25.545 47.269 -21.195 1.00 27.34 C ATOM 116 CD GLN A 903 27.009 46.952 -21.425 1.00 28.65 C ATOM 117 OE1 GLN A 903 27.840 47.129 -20.531 1.00 29.21 O ATOM 118 NE2 GLN A 903 27.338 46.500 -22.633 1.00 27.89 N ATOM 119 HA GLN A 903 23.751 48.532 -19.622 1.00 0.00 H ATOM 120 HB2 GLN A 903 25.807 47.078 -19.085 1.00 0.00 H ATOM 121 HB3 GLN A 903 24.928 45.733 -19.847 1.00 0.00 H ATOM 122 HG2 GLN A 903 24.954 46.768 -21.962 1.00 0.00 H ATOM 123 HG3 GLN A 903 25.404 48.347 -21.276 1.00 0.00 H ATOM 124 HE22 GLN A 903 26.603 46.366 -23.356 1.00 0.00 H ATOM 125 HE21 GLN A 903 28.330 46.281 -22.854 1.00 0.00 H ATOM 126 H GLN A 903 24.084 46.682 -17.443 1.00 0.00 H ATOM 127 N LYS A 904 22.182 47.665 -21.246 1.00 24.00 N ATOM 128 CA LYS A 904 21.154 47.256 -22.181 1.00 24.84 C ATOM 129 C LYS A 904 21.878 46.418 -23.232 1.00 24.16 C ATOM 130 O LYS A 904 22.779 46.916 -23.897 1.00 26.29 O ATOM 131 CB LYS A 904 20.555 48.510 -22.802 1.00 26.40 C ATOM 132 CG LYS A 904 19.387 48.323 -23.730 1.00 30.81 C ATOM 133 CD LYS A 904 18.817 49.707 -24.014 1.00 33.83 C ATOM 134 CE LYS A 904 17.730 49.680 -25.044 1.00 37.51 C ATOM 135 NZ LYS A 904 17.178 51.043 -25.284 1.00 37.23 N ATOM 136 HA LYS A 904 20.347 46.687 -21.720 1.00 0.00 H ATOM 137 HB2 LYS A 904 20.228 49.156 -21.987 1.00 0.00 H ATOM 138 HB3 LYS A 904 21.345 49.008 -23.364 1.00 0.00 H ATOM 139 HG2 LYS A 904 19.717 47.856 -24.658 1.00 0.00 H ATOM 140 HG3 LYS A 904 18.630 47.696 -23.258 1.00 0.00 H ATOM 141 HD2 LYS A 904 18.411 50.115 -23.088 1.00 0.00 H ATOM 142 HD3 LYS A 904 19.621 50.350 -24.371 1.00 0.00 H ATOM 143 HE2 LYS A 904 16.928 49.028 -24.698 1.00 0.00 H ATOM 144 HE3 LYS A 904 18.135 49.291 -25.978 1.00 0.00 H ATOM 145 HZ1 LYS A 904 16.785 51.418 -24.397 1.00 0.00 H ATOM 146 HZ2 LYS A 904 17.937 51.669 -25.620 1.00 0.00 H ATOM 147 HZ3 LYS A 904 16.428 50.990 -26.002 1.00 0.00 H ATOM 148 H LYS A 904 22.593 48.616 -21.337 1.00 0.00 H ATOM 149 N VAL A 905 21.515 45.146 -23.368 1.00 23.61 N ATOM 150 CA VAL A 905 22.159 44.288 -24.363 1.00 23.94 C ATOM 151 C VAL A 905 21.173 43.344 -25.043 1.00 24.44 C ATOM 152 O VAL A 905 19.978 43.388 -24.779 1.00 26.67 O ATOM 153 CB VAL A 905 23.293 43.434 -23.733 1.00 21.70 C ATOM 154 CG1 VAL A 905 24.246 44.318 -22.958 1.00 20.32 C ATOM 155 CG2 VAL A 905 22.712 42.368 -22.838 1.00 21.56 C ATOM 156 HA VAL A 905 22.574 44.966 -25.108 1.00 0.00 H ATOM 157 HB VAL A 905 23.848 42.945 -24.533 1.00 0.00 H ATOM 158 HG11 VAL A 905 24.686 45.054 -23.631 1.00 0.00 H ATOM 159 HG12 VAL A 905 23.701 44.829 -22.164 1.00 0.00 H ATOM 160 HG13 VAL A 905 25.035 43.705 -22.522 1.00 0.00 H ATOM 161 HG21 VAL A 905 22.136 42.839 -22.041 1.00 0.00 H ATOM 162 HG22 VAL A 905 22.061 41.719 -23.424 1.00 0.00 H ATOM 163 HG23 VAL A 905 23.520 41.779 -22.405 1.00 0.00 H ATOM 164 H VAL A 905 20.766 44.757 -22.761 1.00 0.00 H ATOM 165 N ILE A 906 21.682 42.501 -25.934 1.00 24.82 N ATOM 166 CA ILE A 906 20.856 41.530 -26.634 1.00 25.52 C ATOM 167 C ILE A 906 21.394 40.142 -26.316 1.00 26.46 C ATOM 168 O ILE A 906 22.584 39.884 -26.453 1.00 26.50 O ATOM 169 CB ILE A 906 20.875 41.751 -28.173 1.00 24.38 C ATOM 170 CG1 ILE A 906 20.117 43.030 -28.529 1.00 25.23 C ATOM 171 CG2 ILE A 906 20.231 40.571 -28.879 1.00 25.27 C ATOM 172 CD1 ILE A 906 20.212 43.418 -29.979 1.00 24.46 C ATOM 173 HA ILE A 906 19.824 41.643 -26.303 1.00 0.00 H ATOM 174 HB ILE A 906 21.911 41.843 -28.498 1.00 0.00 H ATOM 175 HG12 ILE A 906 19.065 42.885 -28.282 1.00 0.00 H ATOM 176 HG13 ILE A 906 20.521 43.846 -27.929 1.00 0.00 H ATOM 177 HD11 ILE A 906 21.257 43.580 -30.243 1.00 0.00 H ATOM 178 HD12 ILE A 906 19.800 42.619 -30.595 1.00 0.00 H ATOM 179 HD13 ILE A 906 19.647 44.335 -30.146 1.00 0.00 H ATOM 180 HG21 ILE A 906 20.783 39.662 -28.641 1.00 0.00 H ATOM 181 HG22 ILE A 906 19.199 40.469 -28.545 1.00 0.00 H ATOM 182 HG23 ILE A 906 20.251 40.739 -29.956 1.00 0.00 H ATOM 183 H ILE A 906 22.701 42.536 -26.137 1.00 0.00 H ATOM 184 N SER A 907 20.512 39.250 -25.886 1.00 26.80 N ATOM 185 CA SER A 907 20.925 37.903 -25.536 1.00 28.79 C ATOM 186 C SER A 907 19.842 36.886 -25.903 1.00 30.82 C ATOM 187 O SER A 907 18.754 37.253 -26.363 1.00 29.28 O ATOM 188 CB SER A 907 21.244 37.850 -24.037 1.00 28.61 C ATOM 189 OG SER A 907 21.856 36.629 -23.679 1.00 29.90 O ATOM 190 HA SER A 907 21.819 37.642 -26.102 1.00 0.00 H ATOM 191 HB2 SER A 907 20.317 37.960 -23.474 1.00 0.00 H ATOM 192 HB3 SER A 907 21.918 38.670 -23.789 1.00 0.00 H ATOM 193 HG SER A 907 22.702 36.525 -24.183 1.00 0.00 H ATOM 194 H SER A 907 19.511 39.519 -25.798 1.00 0.00 H ATOM 195 N LYS A 908 20.137 35.605 -25.702 1.00 33.48 N ATOM 196 CA LYS A 908 19.179 34.554 -26.031 1.00 37.11 C ATOM 197 C LYS A 908 18.276 34.169 -24.858 1.00 37.59 C ATOM 198 O LYS A 908 18.754 33.901 -23.758 1.00 38.36 O ATOM 199 CB LYS A 908 19.915 33.312 -26.556 1.00 39.29 C ATOM 200 CG LYS A 908 19.038 32.064 -26.631 1.00 41.91 C ATOM 201 CD LYS A 908 19.752 30.870 -27.277 1.00 44.61 C ATOM 202 CE LYS A 908 19.830 31.009 -28.783 1.00 46.04 C ATOM 203 NZ LYS A 908 20.044 29.693 -29.468 1.00 48.25 N ATOM 204 HA LYS A 908 18.529 34.960 -26.807 1.00 0.00 H ATOM 205 HB2 LYS A 908 20.289 33.531 -27.556 1.00 0.00 H ATOM 206 HB3 LYS A 908 20.755 33.103 -25.893 1.00 0.00 H ATOM 207 HG2 LYS A 908 18.741 31.786 -25.620 1.00 0.00 H ATOM 208 HG3 LYS A 908 18.150 32.298 -27.218 1.00 0.00 H ATOM 209 HD2 LYS A 908 20.763 30.804 -26.876 1.00 0.00 H ATOM 210 HD3 LYS A 908 19.206 29.958 -27.034 1.00 0.00 H ATOM 211 HE2 LYS A 908 20.659 31.672 -29.031 1.00 0.00 H ATOM 212 HE3 LYS A 908 18.898 31.444 -29.143 1.00 0.00 H ATOM 213 HZ1 LYS A 908 20.936 29.272 -29.137 1.00 0.00 H ATOM 214 HZ2 LYS A 908 19.254 29.055 -29.244 1.00 0.00 H ATOM 215 HZ3 LYS A 908 20.090 29.842 -30.496 1.00 0.00 H ATOM 216 H LYS A 908 21.063 35.348 -25.305 1.00 0.00 H ATOM 217 N HIS A 909 16.970 34.155 -25.119 1.00 38.62 N ATOM 218 CA HIS A 909 15.956 33.805 -24.125 1.00 41.88 C ATOM 219 C HIS A 909 15.986 32.288 -23.991 1.00 43.03 C ATOM 220 O HIS A 909 16.577 31.606 -24.842 1.00 42.81 O ATOM 221 CB HIS A 909 14.579 34.291 -24.603 1.00 42.49 C ATOM 222 CG HIS A 909 13.479 34.136 -23.592 1.00 44.68 C ATOM 223 ND1 HIS A 909 12.840 32.935 -23.360 1.00 45.05 N ATOM 224 CD2 HIS A 909 12.892 35.040 -22.769 1.00 44.50 C ATOM 225 CE1 HIS A 909 11.906 33.107 -22.439 1.00 45.88 C ATOM 226 NE2 HIS A 909 11.916 34.375 -22.065 1.00 44.68 N ATOM 227 HA HIS A 909 16.152 34.275 -23.161 1.00 0.00 H ATOM 228 HB2 HIS A 909 14.660 35.347 -24.859 1.00 0.00 H ATOM 229 HB3 HIS A 909 14.307 33.723 -25.493 1.00 0.00 H ATOM 230 HD2 HIS A 909 13.146 36.096 -22.682 1.00 0.00 H ATOM 231 HE1 HIS A 909 11.241 32.334 -22.054 1.00 0.00 H ATOM 232 H HIS A 909 16.655 34.406 -26.078 1.00 0.00 H ATOM 233 N LYS A 910 15.374 31.740 -22.940 1.00 43.52 N ATOM 234 CA LYS A 910 15.421 30.294 -22.795 1.00 44.18 C ATOM 235 C LYS A 910 14.735 29.639 -23.982 1.00 43.98 C ATOM 236 O LYS A 910 15.065 28.506 -24.349 1.00 43.94 O ATOM 237 CB LYS A 910 14.810 29.824 -21.459 1.00 44.37 C ATOM 238 CG LYS A 910 13.378 30.247 -21.152 1.00 46.22 C ATOM 239 CD LYS A 910 12.938 29.596 -19.830 1.00 47.26 C ATOM 240 CE LYS A 910 11.514 29.974 -19.410 1.00 48.89 C ATOM 241 NZ LYS A 910 11.391 31.359 -18.864 1.00 48.57 N ATOM 242 HA LYS A 910 16.467 29.987 -22.777 1.00 0.00 H ATOM 243 HB2 LYS A 910 14.837 28.734 -21.453 1.00 0.00 H ATOM 244 HB3 LYS A 910 15.443 30.207 -20.658 1.00 0.00 H ATOM 245 HG2 LYS A 910 13.329 31.332 -21.060 1.00 0.00 H ATOM 246 HG3 LYS A 910 12.720 29.921 -21.957 1.00 0.00 H ATOM 247 HD2 LYS A 910 12.989 28.513 -19.944 1.00 0.00 H ATOM 248 HD3 LYS A 910 13.625 29.910 -19.044 1.00 0.00 H ATOM 249 HE2 LYS A 910 11.184 29.272 -18.644 1.00 0.00 H ATOM 250 HE3 LYS A 910 10.865 29.890 -20.282 1.00 0.00 H ATOM 251 HZ1 LYS A 910 11.996 31.454 -18.023 1.00 0.00 H ATOM 252 HZ2 LYS A 910 11.691 32.043 -19.587 1.00 0.00 H ATOM 253 HZ3 LYS A 910 10.401 31.541 -18.603 1.00 0.00 H ATOM 254 H LYS A 910 14.877 32.331 -22.243 1.00 0.00 H ATOM 255 N ASN A 911 13.820 30.373 -24.611 1.00 43.09 N ATOM 256 CA ASN A 911 13.098 29.855 -25.768 1.00 42.45 C ATOM 257 C ASN A 911 13.976 29.797 -27.021 1.00 42.40 C ATOM 258 O ASN A 911 13.501 29.462 -28.103 1.00 42.61 O ATOM 259 CB ASN A 911 11.843 30.694 -26.033 1.00 41.79 C ATOM 260 CG ASN A 911 12.153 32.049 -26.642 1.00 42.05 C ATOM 261 OD1 ASN A 911 13.307 32.479 -26.696 1.00 41.76 O ATOM 262 ND2 ASN A 911 11.112 32.735 -27.100 1.00 40.51 N ATOM 263 HA ASN A 911 12.803 28.832 -25.534 1.00 0.00 H ATOM 264 HB2 ASN A 911 11.196 30.145 -26.717 1.00 0.00 H ATOM 265 HB3 ASN A 911 11.322 30.849 -25.088 1.00 0.00 H ATOM 266 HD22 ASN A 911 10.155 32.333 -27.034 1.00 0.00 H ATOM 267 HD21 ASN A 911 11.254 33.674 -27.525 1.00 0.00 H ATOM 268 H ASN A 911 13.616 31.334 -24.271 1.00 0.00 H ATOM 269 N GLY A 912 15.256 30.127 -26.868 1.00 42.58 N ATOM 270 CA GLY A 912 16.175 30.072 -27.997 1.00 42.14 C ATOM 271 C GLY A 912 16.280 31.308 -28.886 1.00 40.76 C ATOM 272 O GLY A 912 17.259 31.464 -29.617 1.00 41.44 O ATOM 273 HA3 GLY A 912 15.864 29.241 -28.630 1.00 0.00 H ATOM 274 HA2 GLY A 912 17.170 29.872 -27.598 1.00 0.00 H ATOM 275 H GLY A 912 15.603 30.427 -25.935 1.00 0.00 H ATOM 276 N ARG A 913 15.287 32.188 -28.835 1.00 39.09 N ATOM 277 CA ARG A 913 15.307 33.390 -29.656 1.00 36.00 C ATOM 278 C ARG A 913 16.009 34.562 -28.963 1.00 34.18 C ATOM 279 O ARG A 913 16.144 34.589 -27.731 1.00 32.49 O ATOM 280 CB ARG A 913 13.879 33.772 -30.027 1.00 37.26 C ATOM 281 CG ARG A 913 13.143 32.663 -30.777 1.00 42.00 C ATOM 282 CD ARG A 913 11.636 32.891 -30.820 1.00 42.64 C ATOM 283 NE ARG A 913 11.234 34.061 -31.602 1.00 45.97 N ATOM 284 CZ ARG A 913 11.407 34.196 -32.918 1.00 46.74 C ATOM 285 NH1 ARG A 913 11.987 33.228 -33.618 1.00 47.39 N ATOM 286 NH2 ARG A 913 10.985 35.296 -33.539 1.00 45.34 N ATOM 287 HA ARG A 913 15.880 33.169 -30.556 1.00 0.00 H ATOM 288 HB2 ARG A 913 13.330 33.997 -29.113 1.00 0.00 H ATOM 289 HB3 ARG A 913 13.909 34.659 -30.659 1.00 0.00 H ATOM 290 HG2 ARG A 913 13.520 32.621 -31.799 1.00 0.00 H ATOM 291 HG3 ARG A 913 13.340 31.713 -30.279 1.00 0.00 H ATOM 292 HD2 ARG A 913 11.279 33.022 -29.798 1.00 0.00 H ATOM 293 HD3 ARG A 913 11.168 32.009 -31.257 1.00 0.00 H ATOM 294 HE ARG A 913 10.779 34.846 -31.094 1.00 0.00 H ATOM 295 HH12 ARG A 913 12.120 33.336 -34.644 1.00 0.00 H ATOM 296 HH11 ARG A 913 12.308 32.362 -33.141 1.00 0.00 H ATOM 297 HH22 ARG A 913 11.121 35.399 -34.565 1.00 0.00 H ATOM 298 HH21 ARG A 913 10.519 36.052 -32.998 1.00 0.00 H ATOM 299 H ARG A 913 14.483 32.016 -28.199 1.00 0.00 H ATOM 300 N PHE A 914 16.472 35.520 -29.762 1.00 29.59 N ATOM 301 CA PHE A 914 17.151 36.685 -29.220 1.00 27.66 C ATOM 302 C PHE A 914 16.194 37.823 -28.899 1.00 25.65 C ATOM 303 O PHE A 914 15.235 38.074 -29.623 1.00 24.97 O ATOM 304 CB PHE A 914 18.228 37.168 -30.187 1.00 27.19 C ATOM 305 CG PHE A 914 19.410 36.261 -30.256 1.00 28.56 C ATOM 306 CD1 PHE A 914 19.334 35.047 -30.927 1.00 29.46 C ATOM 307 CD2 PHE A 914 20.594 36.600 -29.613 1.00 29.13 C ATOM 308 CE1 PHE A 914 20.421 34.185 -30.950 1.00 29.60 C ATOM 309 CE2 PHE A 914 21.685 35.742 -29.633 1.00 28.90 C ATOM 310 CZ PHE A 914 21.596 34.534 -30.303 1.00 30.02 C ATOM 311 HA PHE A 914 17.611 36.375 -28.282 1.00 0.00 H ATOM 312 HB2 PHE A 914 17.791 37.243 -31.183 1.00 0.00 H ATOM 313 HB3 PHE A 914 18.566 38.153 -29.865 1.00 0.00 H ATOM 314 HD2 PHE A 914 20.667 37.551 -29.086 1.00 0.00 H ATOM 315 HE2 PHE A 914 22.608 36.018 -29.123 1.00 0.00 H ATOM 316 HZ PHE A 914 22.450 33.857 -30.322 1.00 0.00 H ATOM 317 HE1 PHE A 914 20.351 33.233 -31.477 1.00 0.00 H ATOM 318 HD1 PHE A 914 18.413 34.769 -31.440 1.00 0.00 H ATOM 319 H PHE A 914 16.346 35.434 -30.791 1.00 0.00 H ATOM 320 N TYR A 915 16.461 38.500 -27.792 1.00 24.38 N ATOM 321 CA TYR A 915 15.631 39.614 -27.357 1.00 24.22 C ATOM 322 C TYR A 915 16.503 40.623 -26.651 1.00 25.21 C ATOM 323 O TYR A 915 17.578 40.289 -26.142 1.00 25.84 O ATOM 324 CB TYR A 915 14.568 39.165 -26.350 1.00 25.75 C ATOM 325 CG TYR A 915 13.573 38.147 -26.848 1.00 28.14 C ATOM 326 CD1 TYR A 915 13.907 36.801 -26.937 1.00 29.37 C ATOM 327 CD2 TYR A 915 12.283 38.531 -27.200 1.00 30.26 C ATOM 328 CE1 TYR A 915 12.976 35.858 -27.363 1.00 31.85 C ATOM 329 CE2 TYR A 915 11.347 37.602 -27.626 1.00 31.57 C ATOM 330 CZ TYR A 915 11.698 36.270 -27.704 1.00 32.22 C ATOM 331 OH TYR A 915 10.766 35.355 -28.115 1.00 35.79 O ATOM 332 HA TYR A 915 15.146 40.030 -28.240 1.00 0.00 H ATOM 333 HB3 TYR A 915 14.012 40.048 -26.035 1.00 0.00 H ATOM 334 HB2 TYR A 915 15.083 38.736 -25.490 1.00 0.00 H ATOM 335 HD2 TYR A 915 12.003 39.583 -27.140 1.00 0.00 H ATOM 336 HE2 TYR A 915 10.341 37.921 -27.897 1.00 0.00 H ATOM 337 HE1 TYR A 915 13.250 34.805 -27.428 1.00 0.00 H ATOM 338 HD1 TYR A 915 14.913 36.479 -26.669 1.00 0.00 H ATOM 339 HH TYR A 915 9.994 35.371 -27.495 1.00 0.00 H ATOM 340 H TYR A 915 17.285 38.228 -27.219 1.00 0.00 H ATOM 341 N GLN A 916 16.033 41.861 -26.609 1.00 24.32 N ATOM 342 CA GLN A 916 16.765 42.887 -25.904 1.00 24.87 C ATOM 343 C GLN A 916 16.552 42.524 -24.444 1.00 25.76 C ATOM 344 O GLN A 916 15.496 42.014 -24.083 1.00 25.45 O ATOM 345 CB GLN A 916 16.167 44.256 -26.178 1.00 26.11 C ATOM 346 CG GLN A 916 16.854 45.390 -25.437 1.00 26.79 C ATOM 347 CD GLN A 916 16.317 46.740 -25.855 1.00 27.48 C ATOM 348 OE1 GLN A 916 16.347 47.088 -27.037 1.00 27.61 O ATOM 349 NE2 GLN A 916 15.820 47.508 -24.891 1.00 26.12 N ATOM 350 HA GLN A 916 17.813 42.935 -26.198 1.00 0.00 H ATOM 351 HB2 GLN A 916 16.237 44.453 -27.248 1.00 0.00 H ATOM 352 HB3 GLN A 916 15.118 44.238 -25.881 1.00 0.00 H ATOM 353 HG2 GLN A 916 16.692 45.262 -24.367 1.00 0.00 H ATOM 354 HG3 GLN A 916 17.923 45.354 -25.649 1.00 0.00 H ATOM 355 HE22 GLN A 916 15.816 47.171 -23.907 1.00 0.00 H ATOM 356 HE21 GLN A 916 15.435 48.446 -25.120 1.00 0.00 H ATOM 357 H GLN A 916 15.137 42.094 -27.084 1.00 0.00 H ATOM 358 N CYS A 917 17.553 42.758 -23.610 1.00 25.06 N ATOM 359 CA CYS A 917 17.414 42.450 -22.199 1.00 25.73 C ATOM 360 C CYS A 917 18.365 43.321 -21.414 1.00 26.25 C ATOM 361 O CYS A 917 19.172 44.049 -21.993 1.00 26.00 O ATOM 362 CB CYS A 917 17.703 40.967 -21.943 1.00 27.62 C ATOM 363 SG CYS A 917 19.307 40.394 -22.532 1.00 29.07 S ATOM 364 HA CYS A 917 16.391 42.650 -21.880 1.00 0.00 H ATOM 365 HB2 CYS A 917 16.930 40.380 -22.440 1.00 0.00 H ATOM 366 HB3 CYS A 917 17.655 40.793 -20.868 1.00 0.00 H ATOM 367 HG CYS A 917 19.448 39.052 -22.245 1.00 0.00 H ATOM 368 H CYS A 917 18.441 43.164 -23.967 1.00 0.00 H ATOM 369 N GLU A 918 18.264 43.267 -20.094 1.00 25.66 N ATOM 370 CA GLU A 918 19.139 44.071 -19.263 1.00 25.37 C ATOM 371 C GLU A 918 20.003 43.201 -18.362 1.00 24.36 C ATOM 372 O GLU A 918 19.528 42.233 -17.775 1.00 22.92 O ATOM 373 CB GLU A 918 18.317 45.044 -18.411 1.00 27.71 C ATOM 374 CG GLU A 918 19.161 46.067 -17.670 1.00 31.71 C ATOM 375 CD GLU A 918 18.331 47.137 -16.981 1.00 35.46 C ATOM 376 OE1 GLU A 918 17.466 47.750 -17.643 1.00 38.80 O ATOM 377 OE2 GLU A 918 18.550 47.375 -15.776 1.00 38.54 O ATOM 378 HA GLU A 918 19.796 44.636 -19.924 1.00 0.00 H ATOM 379 HB2 GLU A 918 17.626 45.576 -19.065 1.00 0.00 H ATOM 380 HB3 GLU A 918 17.752 44.468 -17.679 1.00 0.00 H ATOM 381 HG2 GLU A 918 19.753 45.548 -16.916 1.00 0.00 H ATOM 382 HG3 GLU A 918 19.827 46.551 -18.384 1.00 0.00 H ATOM 383 H GLU A 918 17.555 42.647 -19.653 1.00 0.00 H ATOM 384 N VAL A 919 21.281 43.549 -18.269 1.00 23.92 N ATOM 385 CA VAL A 919 22.205 42.817 -17.420 1.00 25.28 C ATOM 386 C VAL A 919 21.858 43.202 -15.984 1.00 26.59 C ATOM 387 O VAL A 919 21.924 44.379 -15.621 1.00 26.76 O ATOM 388 CB VAL A 919 23.672 43.212 -17.698 1.00 24.02 C ATOM 389 CG1 VAL A 919 24.579 42.591 -16.656 1.00 24.62 C ATOM 390 CG2 VAL A 919 24.085 42.752 -19.089 1.00 23.13 C ATOM 391 HA VAL A 919 22.114 41.747 -17.606 1.00 0.00 H ATOM 392 HB VAL A 919 23.761 44.297 -17.647 1.00 0.00 H ATOM 393 HG11 VAL A 919 24.291 42.947 -15.667 1.00 0.00 H ATOM 394 HG12 VAL A 919 24.485 41.506 -16.694 1.00 0.00 H ATOM 395 HG13 VAL A 919 25.612 42.875 -16.860 1.00 0.00 H ATOM 396 HG21 VAL A 919 23.988 41.668 -19.156 1.00 0.00 H ATOM 397 HG22 VAL A 919 23.441 43.222 -19.832 1.00 0.00 H ATOM 398 HG23 VAL A 919 25.121 43.037 -19.272 1.00 0.00 H ATOM 399 H VAL A 919 21.628 44.363 -18.816 1.00 0.00 H ATOM 400 N VAL A 920 21.468 42.219 -15.176 1.00 27.39 N ATOM 401 CA VAL A 920 21.122 42.495 -13.788 1.00 29.40 C ATOM 402 C VAL A 920 22.372 42.496 -12.901 1.00 28.61 C ATOM 403 O VAL A 920 22.503 43.344 -12.031 1.00 28.92 O ATOM 404 CB VAL A 920 20.085 41.474 -13.243 1.00 31.00 C ATOM 405 CG1 VAL A 920 18.914 41.365 -14.202 1.00 33.62 C ATOM 406 CG2 VAL A 920 20.719 40.127 -13.053 1.00 33.47 C ATOM 407 HA VAL A 920 20.670 43.486 -13.761 1.00 0.00 H ATOM 408 HB VAL A 920 19.726 41.827 -12.276 1.00 0.00 H ATOM 409 HG11 VAL A 920 18.439 42.340 -14.305 1.00 0.00 H ATOM 410 HG12 VAL A 920 19.273 41.029 -15.175 1.00 0.00 H ATOM 411 HG13 VAL A 920 18.192 40.647 -13.812 1.00 0.00 H ATOM 412 HG21 VAL A 920 21.100 39.768 -14.009 1.00 0.00 H ATOM 413 HG22 VAL A 920 21.541 40.211 -12.341 1.00 0.00 H ATOM 414 HG23 VAL A 920 19.975 39.428 -12.671 1.00 0.00 H ATOM 415 H VAL A 920 21.410 41.246 -15.538 1.00 0.00 H ATOM 416 N ARG A 921 23.294 41.563 -13.130 1.00 28.20 N ATOM 417 CA ARG A 921 24.525 41.506 -12.335 1.00 29.61 C ATOM 418 C ARG A 921 25.567 40.560 -12.934 1.00 28.22 C ATOM 419 O ARG A 921 25.233 39.669 -13.709 1.00 28.44 O ATOM 420 CB ARG A 921 24.218 41.041 -10.909 1.00 30.53 C ATOM 421 CG ARG A 921 23.794 39.591 -10.839 1.00 32.31 C ATOM 422 CD ARG A 921 23.374 39.141 -9.438 1.00 38.55 C ATOM 423 NE ARG A 921 22.790 37.800 -9.520 1.00 43.36 N ATOM 424 CZ ARG A 921 23.437 36.659 -9.279 1.00 45.72 C ATOM 425 NH1 ARG A 921 24.715 36.665 -8.910 1.00 45.48 N ATOM 426 NH2 ARG A 921 22.809 35.499 -9.452 1.00 46.45 N ATOM 427 HA ARG A 921 24.935 42.516 -12.332 1.00 0.00 H ATOM 428 HB2 ARG A 921 25.113 41.171 -10.301 1.00 0.00 H ATOM 429 HB3 ARG A 921 23.414 41.658 -10.508 1.00 0.00 H ATOM 430 HG2 ARG A 921 22.951 39.445 -11.515 1.00 0.00 H ATOM 431 HG3 ARG A 921 24.630 38.971 -11.164 1.00 0.00 H ATOM 432 HD2 ARG A 921 22.637 39.836 -9.037 1.00 0.00 H ATOM 433 HD3 ARG A 921 24.246 39.120 -8.784 1.00 0.00 H ATOM 434 HE ARG A 921 21.788 37.732 -9.788 1.00 0.00 H ATOM 435 HH12 ARG A 921 25.207 35.768 -8.725 1.00 0.00 H ATOM 436 HH11 ARG A 921 25.222 37.567 -8.806 1.00 0.00 H ATOM 437 HH22 ARG A 921 23.307 34.605 -9.266 1.00 0.00 H ATOM 438 HH21 ARG A 921 21.820 35.486 -9.773 1.00 0.00 H ATOM 439 H ARG A 921 23.139 40.864 -13.884 1.00 0.00 H ATOM 440 N LEU A 922 26.830 40.762 -12.575 1.00 28.12 N ATOM 441 CA LEU A 922 27.882 39.876 -13.053 1.00 27.94 C ATOM 442 C LEU A 922 28.001 38.772 -12.004 1.00 29.33 C ATOM 443 O LEU A 922 27.878 39.032 -10.809 1.00 30.20 O ATOM 444 CB LEU A 922 29.213 40.616 -13.185 1.00 27.52 C ATOM 445 CG LEU A 922 29.264 41.932 -13.980 1.00 29.70 C ATOM 446 CD1 LEU A 922 30.715 42.310 -14.197 1.00 26.91 C ATOM 447 CD2 LEU A 922 28.566 41.800 -15.298 1.00 27.73 C ATOM 448 HA LEU A 922 27.641 39.483 -14.041 1.00 0.00 H ATOM 449 HB2 LEU A 922 29.555 40.841 -12.175 1.00 0.00 H ATOM 450 HB3 LEU A 922 29.914 39.929 -13.660 1.00 0.00 H ATOM 451 HG LEU A 922 28.751 42.709 -13.413 1.00 0.00 H ATOM 452 HD21 LEU A 922 29.049 41.020 -15.887 1.00 0.00 H ATOM 453 HD22 LEU A 922 27.522 41.536 -15.130 1.00 0.00 H ATOM 454 HD23 LEU A 922 28.621 42.748 -15.833 1.00 0.00 H ATOM 455 HD11 LEU A 922 31.204 42.440 -13.231 1.00 0.00 H ATOM 456 HD12 LEU A 922 31.216 41.519 -14.755 1.00 0.00 H ATOM 457 HD13 LEU A 922 30.766 43.242 -14.760 1.00 0.00 H ATOM 458 H LEU A 922 27.069 41.557 -11.949 1.00 0.00 H ATOM 459 N THR A 923 28.193 37.537 -12.449 1.00 30.35 N ATOM 460 CA THR A 923 28.329 36.411 -11.531 1.00 30.30 C ATOM 461 C THR A 923 29.402 35.462 -12.052 1.00 29.33 C ATOM 462 O THR A 923 29.558 35.288 -13.263 1.00 30.35 O ATOM 463 CB THR A 923 26.992 35.631 -11.370 1.00 31.20 C ATOM 464 OG1 THR A 923 27.152 34.604 -10.377 1.00 34.35 O ATOM 465 CG2 THR A 923 26.576 34.987 -12.686 1.00 31.77 C ATOM 466 HA THR A 923 28.609 36.807 -10.555 1.00 0.00 H ATOM 467 HB THR A 923 26.219 36.336 -11.063 1.00 0.00 H ATOM 468 HG1 THR A 923 27.399 35.018 -9.512 1.00 0.00 H ATOM 469 HG23 THR A 923 26.453 35.760 -13.444 1.00 0.00 H ATOM 470 HG21 THR A 923 27.346 34.284 -13.004 1.00 0.00 H ATOM 471 HG22 THR A 923 25.633 34.458 -12.548 1.00 0.00 H ATOM 472 H THR A 923 28.248 37.368 -13.474 1.00 0.00 H ATOM 473 N THR A 924 30.143 34.854 -11.138 1.00 26.97 N ATOM 474 CA THR A 924 31.187 33.922 -11.530 1.00 26.17 C ATOM 475 C THR A 924 30.719 32.484 -11.401 1.00 26.54 C ATOM 476 O THR A 924 30.274 32.056 -10.339 1.00 25.48 O ATOM 477 CB THR A 924 32.452 34.092 -10.674 1.00 27.12 C ATOM 478 OG1 THR A 924 32.909 35.446 -10.756 1.00 24.74 O ATOM 479 CG2 THR A 924 33.558 33.157 -11.177 1.00 24.14 C ATOM 480 HA THR A 924 31.419 34.145 -12.571 1.00 0.00 H ATOM 481 HB THR A 924 32.213 33.845 -9.640 1.00 0.00 H ATOM 482 HG1 THR A 924 32.201 36.053 -10.422 1.00 0.00 H ATOM 483 HG23 THR A 924 33.214 32.124 -11.116 1.00 0.00 H ATOM 484 HG21 THR A 924 33.796 33.402 -12.212 1.00 0.00 H ATOM 485 HG22 THR A 924 34.447 33.282 -10.559 1.00 0.00 H ATOM 486 H THR A 924 29.976 35.045 -10.129 1.00 0.00 H ATOM 487 N GLU A 925 30.820 31.741 -12.495 1.00 26.66 N ATOM 488 CA GLU A 925 30.428 30.340 -12.512 1.00 25.70 C ATOM 489 C GLU A 925 31.705 29.507 -12.455 1.00 26.33 C ATOM 490 O GLU A 925 32.698 29.835 -13.107 1.00 24.40 O ATOM 491 CB GLU A 925 29.661 30.025 -13.795 1.00 27.68 C ATOM 492 CG GLU A 925 29.165 28.590 -13.921 1.00 30.32 C ATOM 493 CD GLU A 925 28.116 28.232 -12.880 1.00 34.03 C ATOM 494 OE1 GLU A 925 28.477 27.995 -11.705 1.00 36.06 O ATOM 495 OE2 GLU A 925 26.924 28.197 -13.240 1.00 33.51 O ATOM 496 HA GLU A 925 29.781 30.114 -11.665 1.00 0.00 H ATOM 497 HB2 GLU A 925 28.796 30.686 -13.841 1.00 0.00 H ATOM 498 HB3 GLU A 925 30.319 30.230 -14.640 1.00 0.00 H ATOM 499 HG2 GLU A 925 28.731 28.458 -14.912 1.00 0.00 H ATOM 500 HG3 GLU A 925 30.014 27.917 -13.805 1.00 0.00 H ATOM 501 H GLU A 925 31.190 32.172 -13.366 1.00 0.00 H ATOM 502 N THR A 926 31.689 28.435 -11.673 1.00 25.47 N ATOM 503 CA THR A 926 32.867 27.590 -11.580 1.00 26.07 C ATOM 504 C THR A 926 32.642 26.206 -12.179 1.00 24.00 C ATOM 505 O THR A 926 31.739 25.491 -11.776 1.00 25.69 O ATOM 506 CB THR A 926 33.312 27.445 -10.122 1.00 28.24 C ATOM 507 OG1 THR A 926 33.700 28.730 -9.618 1.00 30.65 O ATOM 508 CG2 THR A 926 34.487 26.489 -10.016 1.00 29.08 C ATOM 509 HA THR A 926 33.648 28.082 -12.159 1.00 0.00 H ATOM 510 HB THR A 926 32.482 27.047 -9.538 1.00 0.00 H ATOM 511 HG1 THR A 926 32.930 29.350 -9.671 1.00 0.00 H ATOM 512 HG23 THR A 926 34.194 25.511 -10.399 1.00 0.00 H ATOM 513 HG21 THR A 926 35.322 26.875 -10.602 1.00 0.00 H ATOM 514 HG22 THR A 926 34.786 26.397 -8.972 1.00 0.00 H ATOM 515 H THR A 926 30.835 28.200 -11.128 1.00 0.00 H ATOM 516 N PHE A 927 33.458 25.843 -13.159 1.00 22.61 N ATOM 517 CA PHE A 927 33.355 24.534 -13.786 1.00 22.06 C ATOM 518 C PHE A 927 34.510 23.658 -13.305 1.00 22.98 C ATOM 519 O PHE A 927 35.588 24.159 -12.975 1.00 23.67 O ATOM 520 CB PHE A 927 33.403 24.652 -15.312 1.00 22.70 C ATOM 521 CG PHE A 927 32.277 25.453 -15.894 1.00 21.99 C ATOM 522 CD1 PHE A 927 32.301 26.841 -15.856 1.00 25.56 C ATOM 523 CD2 PHE A 927 31.176 24.818 -16.457 1.00 23.11 C ATOM 524 CE1 PHE A 927 31.237 27.588 -16.372 1.00 26.07 C ATOM 525 CE2 PHE A 927 30.106 25.552 -16.974 1.00 22.60 C ATOM 526 CZ PHE A 927 30.137 26.939 -16.930 1.00 26.35 C ATOM 527 HA PHE A 927 32.401 24.086 -13.507 1.00 0.00 H ATOM 528 HB2 PHE A 927 34.343 25.128 -15.591 1.00 0.00 H ATOM 529 HB3 PHE A 927 33.366 23.648 -15.736 1.00 0.00 H ATOM 530 HD2 PHE A 927 31.147 23.729 -16.496 1.00 0.00 H ATOM 531 HE2 PHE A 927 29.250 25.038 -17.410 1.00 0.00 H ATOM 532 HZ PHE A 927 29.305 27.518 -17.330 1.00 0.00 H ATOM 533 HE1 PHE A 927 31.268 28.677 -16.338 1.00 0.00 H ATOM 534 HD1 PHE A 927 33.158 27.354 -15.419 1.00 0.00 H ATOM 535 H PHE A 927 34.187 26.508 -13.487 1.00 0.00 H ATOM 536 N TYR A 928 34.277 22.352 -13.243 1.00 21.29 N ATOM 537 CA TYR A 928 35.308 21.418 -12.811 1.00 23.29 C ATOM 538 C TYR A 928 35.815 20.610 -14.000 1.00 24.81 C ATOM 539 O TYR A 928 35.055 20.288 -14.914 1.00 25.04 O ATOM 540 CB TYR A 928 34.754 20.447 -11.765 1.00 24.29 C ATOM 541 CG TYR A 928 34.639 20.976 -10.355 1.00 22.53 C ATOM 542 CD1 TYR A 928 34.076 20.186 -9.350 1.00 24.10 C ATOM 543 CD2 TYR A 928 35.103 22.244 -10.014 1.00 23.11 C ATOM 544 CE1 TYR A 928 33.977 20.640 -8.044 1.00 25.94 C ATOM 545 CE2 TYR A 928 35.010 22.713 -8.706 1.00 24.86 C ATOM 546 CZ TYR A 928 34.443 21.900 -7.727 1.00 27.16 C ATOM 547 OH TYR A 928 34.337 22.346 -6.436 1.00 27.74 O ATOM 548 HA TYR A 928 36.123 21.996 -12.376 1.00 0.00 H ATOM 549 HB3 TYR A 928 35.409 19.576 -11.741 1.00 0.00 H ATOM 550 HB2 TYR A 928 33.758 20.143 -12.088 1.00 0.00 H ATOM 551 HD2 TYR A 928 35.545 22.879 -10.782 1.00 0.00 H ATOM 552 HE2 TYR A 928 35.377 23.707 -8.451 1.00 0.00 H ATOM 553 HE1 TYR A 928 33.535 20.008 -7.274 1.00 0.00 H ATOM 554 HD1 TYR A 928 33.707 19.191 -9.598 1.00 0.00 H ATOM 555 HH TYR A 928 33.782 23.165 -6.416 1.00 0.00 H ATOM 556 H TYR A 928 33.339 21.989 -13.508 1.00 0.00 H ATOM 557 N GLU A 929 37.103 20.290 -13.986 1.00 25.09 N ATOM 558 CA GLU A 929 37.698 19.489 -15.046 1.00 25.71 C ATOM 559 C GLU A 929 38.183 18.177 -14.424 1.00 26.90 C ATOM 560 O GLU A 929 38.822 18.186 -13.365 1.00 25.70 O ATOM 561 CB GLU A 929 38.877 20.222 -15.678 1.00 26.95 C ATOM 562 CG GLU A 929 39.362 19.586 -16.979 1.00 29.55 C ATOM 563 CD GLU A 929 40.633 20.226 -17.515 1.00 30.77 C ATOM 564 OE1 GLU A 929 40.826 21.441 -17.312 1.00 32.08 O ATOM 565 OE2 GLU A 929 41.438 19.518 -18.154 1.00 32.69 O ATOM 566 HA GLU A 929 36.960 19.301 -15.826 1.00 0.00 H ATOM 567 HB2 GLU A 929 38.574 21.248 -15.887 1.00 0.00 H ATOM 568 HB3 GLU A 929 39.703 20.226 -14.967 1.00 0.00 H ATOM 569 HG2 GLU A 929 39.555 18.528 -16.798 1.00 0.00 H ATOM 570 HG3 GLU A 929 38.578 19.688 -17.729 1.00 0.00 H ATOM 571 H GLU A 929 37.700 20.619 -13.201 1.00 0.00 H ATOM 572 N VAL A 930 37.877 17.053 -15.073 1.00 27.10 N ATOM 573 CA VAL A 930 38.291 15.745 -14.565 1.00 26.24 C ATOM 574 C VAL A 930 38.682 14.792 -15.677 1.00 28.14 C ATOM 575 O VAL A 930 38.198 14.894 -16.810 1.00 29.33 O ATOM 576 CB VAL A 930 37.162 15.012 -13.747 1.00 25.23 C ATOM 577 CG1 VAL A 930 36.596 15.916 -12.670 1.00 24.53 C ATOM 578 CG2 VAL A 930 36.065 14.507 -14.680 1.00 22.58 C ATOM 579 HA VAL A 930 39.141 15.974 -13.922 1.00 0.00 H ATOM 580 HB VAL A 930 37.605 14.149 -13.251 1.00 0.00 H ATOM 581 HG11 VAL A 930 37.393 16.205 -11.985 1.00 0.00 H ATOM 582 HG12 VAL A 930 36.171 16.807 -13.132 1.00 0.00 H ATOM 583 HG13 VAL A 930 35.819 15.383 -12.122 1.00 0.00 H ATOM 584 HG21 VAL A 930 35.625 15.351 -15.212 1.00 0.00 H ATOM 585 HG22 VAL A 930 36.494 13.807 -15.397 1.00 0.00 H ATOM 586 HG23 VAL A 930 35.295 14.004 -14.095 1.00 0.00 H ATOM 587 H VAL A 930 37.333 17.107 -15.958 1.00 0.00 H ATOM 588 N ASN A 931 39.570 13.864 -15.341 1.00 29.43 N ATOM 589 CA ASN A 931 39.993 12.832 -16.278 1.00 30.24 C ATOM 590 C ASN A 931 39.264 11.583 -15.811 1.00 30.19 C ATOM 591 O ASN A 931 39.467 11.139 -14.684 1.00 30.78 O ATOM 592 CB ASN A 931 41.502 12.603 -16.200 1.00 30.89 C ATOM 593 CG ASN A 931 42.290 13.762 -16.751 1.00 31.60 C ATOM 594 OD1 ASN A 931 41.875 14.396 -17.714 1.00 31.84 O ATOM 595 ND2 ASN A 931 43.443 14.035 -16.157 1.00 32.42 N ATOM 596 HA ASN A 931 39.769 13.103 -17.310 1.00 0.00 H ATOM 597 HB2 ASN A 931 41.780 12.455 -15.156 1.00 0.00 H ATOM 598 HB3 ASN A 931 41.750 11.708 -16.771 1.00 0.00 H ATOM 599 HD22 ASN A 931 43.755 13.469 -15.342 1.00 0.00 H ATOM 600 HD21 ASN A 931 44.036 14.815 -16.506 1.00 0.00 H ATOM 601 H ASN A 931 39.975 13.874 -14.383 1.00 0.00 H ATOM 602 N PHE A 932 38.396 11.029 -16.649 1.00 30.99 N ATOM 603 CA PHE A 932 37.663 9.829 -16.247 1.00 32.72 C ATOM 604 C PHE A 932 38.564 8.601 -16.330 1.00 34.11 C ATOM 605 O PHE A 932 39.536 8.593 -17.086 1.00 34.74 O ATOM 606 CB PHE A 932 36.428 9.628 -17.131 1.00 30.81 C ATOM 607 CG PHE A 932 35.371 10.681 -16.952 1.00 30.05 C ATOM 608 CD1 PHE A 932 35.279 11.754 -17.832 1.00 29.87 C ATOM 609 CD2 PHE A 932 34.465 10.602 -15.896 1.00 30.46 C ATOM 610 CE1 PHE A 932 34.298 12.728 -17.663 1.00 27.80 C ATOM 611 CE2 PHE A 932 33.485 11.571 -15.722 1.00 26.98 C ATOM 612 CZ PHE A 932 33.401 12.634 -16.604 1.00 29.27 C ATOM 613 HA PHE A 932 37.338 9.961 -15.215 1.00 0.00 H ATOM 614 HB2 PHE A 932 36.747 9.636 -18.173 1.00 0.00 H ATOM 615 HB3 PHE A 932 35.990 8.658 -16.894 1.00 0.00 H ATOM 616 HD2 PHE A 932 34.526 9.768 -15.197 1.00 0.00 H ATOM 617 HE2 PHE A 932 32.783 11.494 -14.892 1.00 0.00 H ATOM 618 HZ PHE A 932 32.633 13.396 -16.469 1.00 0.00 H ATOM 619 HE1 PHE A 932 34.233 13.563 -18.360 1.00 0.00 H ATOM 620 HD1 PHE A 932 35.981 11.833 -18.662 1.00 0.00 H ATOM 621 H PHE A 932 38.238 11.447 -17.588 1.00 0.00 H ATOM 622 N ASP A 933 38.259 7.570 -15.548 1.00 35.64 N ATOM 623 CA ASP A 933 39.076 6.356 -15.580 1.00 37.42 C ATOM 624 C ASP A 933 39.093 5.745 -16.977 1.00 38.22 C ATOM 625 O ASP A 933 40.077 5.122 -17.380 1.00 39.61 O ATOM 626 CB ASP A 933 38.548 5.305 -14.607 1.00 38.08 C ATOM 627 CG ASP A 933 38.584 5.764 -13.170 1.00 39.68 C ATOM 628 OD1 ASP A 933 39.358 6.699 -12.852 1.00 39.02 O ATOM 629 OD2 ASP A 933 37.844 5.168 -12.354 1.00 40.94 O ATOM 630 HA ASP A 933 40.085 6.649 -15.290 1.00 0.00 H ATOM 631 HB2 ASP A 933 37.517 5.072 -14.872 1.00 0.00 H ATOM 632 HB3 ASP A 933 39.158 4.406 -14.701 1.00 0.00 H ATOM 633 H ASP A 933 37.438 7.626 -14.912 1.00 0.00 H ATOM 634 N ASP A 934 38.001 5.923 -17.712 1.00 37.77 N ATOM 635 CA ASP A 934 37.889 5.368 -19.057 1.00 38.13 C ATOM 636 C ASP A 934 38.792 6.072 -20.074 1.00 37.69 C ATOM 637 O ASP A 934 38.776 5.727 -21.257 1.00 36.53 O ATOM 638 CB ASP A 934 36.442 5.450 -19.530 1.00 38.19 C ATOM 639 CG ASP A 934 36.125 6.776 -20.163 1.00 39.87 C ATOM 640 OD1 ASP A 934 36.795 7.768 -19.811 1.00 41.50 O ATOM 641 OD2 ASP A 934 35.209 6.833 -21.008 1.00 41.67 O ATOM 642 HA ASP A 934 38.217 4.330 -18.996 1.00 0.00 H ATOM 643 HB2 ASP A 934 36.266 4.661 -20.261 1.00 0.00 H ATOM 644 HB3 ASP A 934 35.784 5.303 -18.674 1.00 0.00 H ATOM 645 H ASP A 934 37.208 6.470 -17.320 1.00 0.00 H ATOM 646 N GLY A 935 39.548 7.073 -19.627 1.00 37.49 N ATOM 647 CA GLY A 935 40.450 7.773 -20.536 1.00 38.19 C ATOM 648 C GLY A 935 39.955 9.062 -21.185 1.00 38.54 C ATOM 649 O GLY A 935 40.727 9.775 -21.833 1.00 38.19 O ATOM 650 HA3 GLY A 935 40.702 7.081 -21.340 1.00 0.00 H ATOM 651 HA2 GLY A 935 41.351 8.018 -19.974 1.00 0.00 H ATOM 652 H GLY A 935 39.496 7.357 -18.628 1.00 0.00 H ATOM 653 N SER A 936 38.670 9.358 -21.027 1.00 36.85 N ATOM 654 CA SER A 936 38.096 10.572 -21.590 1.00 36.01 C ATOM 655 C SER A 936 38.224 11.654 -20.533 1.00 34.25 C ATOM 656 O SER A 936 38.731 11.408 -19.442 1.00 32.60 O ATOM 657 CB SER A 936 36.617 10.360 -21.907 1.00 36.16 C ATOM 658 OG SER A 936 35.897 10.044 -20.718 1.00 37.36 O ATOM 659 HA SER A 936 38.611 10.845 -22.511 1.00 0.00 H ATOM 660 HB2 SER A 936 36.515 9.540 -22.618 1.00 0.00 H ATOM 661 HB3 SER A 936 36.208 11.271 -22.344 1.00 0.00 H ATOM 662 HG SER A 936 36.265 9.215 -20.321 1.00 0.00 H ATOM 663 H SER A 936 38.061 8.709 -20.490 1.00 0.00 H ATOM 664 N PHE A 937 37.761 12.854 -20.849 1.00 34.07 N ATOM 665 CA PHE A 937 37.826 13.928 -19.872 1.00 32.89 C ATOM 666 C PHE A 937 36.775 14.974 -20.173 1.00 30.70 C ATOM 667 O PHE A 937 36.315 15.107 -21.305 1.00 30.83 O ATOM 668 CB PHE A 937 39.226 14.568 -19.857 1.00 33.25 C ATOM 669 CG PHE A 937 39.451 15.588 -20.948 1.00 34.22 C ATOM 670 CD1 PHE A 937 39.203 16.940 -20.719 1.00 35.27 C ATOM 671 CD2 PHE A 937 39.896 15.196 -22.204 1.00 34.44 C ATOM 672 CE1 PHE A 937 39.393 17.886 -21.725 1.00 35.63 C ATOM 673 CE2 PHE A 937 40.090 16.133 -23.220 1.00 36.06 C ATOM 674 CZ PHE A 937 39.836 17.481 -22.979 1.00 37.05 C ATOM 675 HA PHE A 937 37.631 13.507 -18.886 1.00 0.00 H ATOM 676 HB2 PHE A 937 39.367 15.059 -18.894 1.00 0.00 H ATOM 677 HB3 PHE A 937 39.966 13.776 -19.971 1.00 0.00 H ATOM 678 HD2 PHE A 937 40.096 14.142 -22.399 1.00 0.00 H ATOM 679 HE2 PHE A 937 40.440 15.810 -24.201 1.00 0.00 H ATOM 680 HZ PHE A 937 39.984 18.216 -23.771 1.00 0.00 H ATOM 681 HE1 PHE A 937 39.195 18.940 -21.529 1.00 0.00 H ATOM 682 HD1 PHE A 937 38.855 17.263 -19.738 1.00 0.00 H ATOM 683 H PHE A 937 37.354 13.027 -21.790 1.00 0.00 H ATOM 684 N SER A 938 36.383 15.694 -19.134 1.00 28.68 N ATOM 685 CA SER A 938 35.421 16.771 -19.259 1.00 28.39 C ATOM 686 C SER A 938 35.974 17.948 -18.474 1.00 27.58 C ATOM 687 O SER A 938 36.535 17.772 -17.391 1.00 26.94 O ATOM 688 CB SER A 938 34.062 16.372 -18.684 1.00 26.23 C ATOM 689 OG SER A 938 33.220 17.502 -18.599 1.00 23.77 O ATOM 690 HA SER A 938 35.272 17.017 -20.310 1.00 0.00 H ATOM 691 HB2 SER A 938 34.201 15.950 -17.689 1.00 0.00 H ATOM 692 HB3 SER A 938 33.601 15.627 -19.332 1.00 0.00 H ATOM 693 HG SER A 938 33.091 17.885 -19.503 1.00 0.00 H ATOM 694 H SER A 938 36.779 15.480 -18.196 1.00 0.00 H ATOM 695 N ASP A 939 35.821 19.146 -19.026 1.00 27.75 N ATOM 696 CA ASP A 939 36.301 20.340 -18.353 1.00 28.42 C ATOM 697 C ASP A 939 35.143 21.294 -18.085 1.00 27.63 C ATOM 698 O ASP A 939 35.361 22.449 -17.716 1.00 27.71 O ATOM 699 CB ASP A 939 37.371 21.038 -19.203 1.00 29.74 C ATOM 700 CG ASP A 939 36.850 21.492 -20.559 1.00 32.30 C ATOM 701 OD1 ASP A 939 37.674 21.905 -21.403 1.00 35.38 O ATOM 702 OD2 ASP A 939 35.628 21.448 -20.793 1.00 32.35 O ATOM 703 HA ASP A 939 36.745 20.048 -17.402 1.00 0.00 H ATOM 704 HB2 ASP A 939 37.732 21.911 -18.659 1.00 0.00 H ATOM 705 HB3 ASP A 939 38.196 20.344 -19.362 1.00 0.00 H ATOM 706 H ASP A 939 35.352 19.230 -19.951 1.00 0.00 H ATOM 707 N ASN A 940 33.917 20.804 -18.268 1.00 25.80 N ATOM 708 CA ASN A 940 32.726 21.619 -18.054 1.00 23.92 C ATOM 709 C ASN A 940 31.638 21.006 -17.159 1.00 23.00 C ATOM 710 O ASN A 940 30.447 21.118 -17.440 1.00 22.18 O ATOM 711 CB ASN A 940 32.116 22.019 -19.400 1.00 24.25 C ATOM 712 CG ASN A 940 31.984 20.848 -20.354 1.00 25.90 C ATOM 713 OD1 ASN A 940 31.899 19.694 -19.939 1.00 24.17 O ATOM 714 ND2 ASN A 940 31.945 21.147 -21.644 1.00 27.96 N ATOM 715 HA ASN A 940 33.088 22.486 -17.502 1.00 0.00 H ATOM 716 HB2 ASN A 940 31.126 22.439 -19.223 1.00 0.00 H ATOM 717 HB3 ASN A 940 32.752 22.774 -19.861 1.00 0.00 H ATOM 718 HD22 ASN A 940 32.021 22.138 -21.951 1.00 0.00 H ATOM 719 HD21 ASN A 940 31.839 20.391 -22.350 1.00 0.00 H ATOM 720 H ASN A 940 33.807 19.815 -18.571 1.00 0.00 H ATOM 721 N LEU A 941 32.056 20.356 -16.082 1.00 24.60 N ATOM 722 CA LEU A 941 31.121 19.783 -15.120 1.00 22.87 C ATOM 723 C LEU A 941 30.848 20.884 -14.090 1.00 22.35 C ATOM 724 O LEU A 941 31.597 21.856 -14.013 1.00 21.23 O ATOM 725 CB LEU A 941 31.757 18.581 -14.413 1.00 24.56 C ATOM 726 CG LEU A 941 32.089 17.338 -15.244 1.00 25.46 C ATOM 727 CD1 LEU A 941 32.959 16.382 -14.441 1.00 24.15 C ATOM 728 CD2 LEU A 941 30.791 16.665 -15.663 1.00 27.00 C ATOM 729 HA LEU A 941 30.210 19.443 -15.612 1.00 0.00 H ATOM 730 HB2 LEU A 941 32.688 18.927 -13.964 1.00 0.00 H ATOM 731 HB3 LEU A 941 31.070 18.269 -13.627 1.00 0.00 H ATOM 732 HG LEU A 941 32.647 17.628 -16.134 1.00 0.00 H ATOM 733 HD21 LEU A 941 30.230 16.376 -14.774 1.00 0.00 H ATOM 734 HD22 LEU A 941 30.199 17.360 -16.258 1.00 0.00 H ATOM 735 HD23 LEU A 941 31.018 15.779 -16.255 1.00 0.00 H ATOM 736 HD11 LEU A 941 33.886 16.883 -14.163 1.00 0.00 H ATOM 737 HD12 LEU A 941 32.426 16.077 -13.541 1.00 0.00 H ATOM 738 HD13 LEU A 941 33.186 15.504 -15.046 1.00 0.00 H ATOM 739 H LEU A 941 33.078 20.252 -15.919 1.00 0.00 H ATOM 740 N TYR A 942 29.770 20.755 -13.325 1.00 19.84 N ATOM 741 CA TYR A 942 29.480 21.732 -12.280 1.00 19.63 C ATOM 742 C TYR A 942 29.810 21.030 -10.970 1.00 18.85 C ATOM 743 O TYR A 942 29.775 19.810 -10.902 1.00 21.67 O ATOM 744 CB TYR A 942 28.005 22.161 -12.295 1.00 19.78 C ATOM 745 CG TYR A 942 27.582 22.900 -13.548 1.00 21.00 C ATOM 746 CD1 TYR A 942 26.952 22.229 -14.599 1.00 23.48 C ATOM 747 CD2 TYR A 942 27.837 24.264 -13.695 1.00 21.72 C ATOM 748 CE1 TYR A 942 26.586 22.899 -15.769 1.00 23.54 C ATOM 749 CE2 TYR A 942 27.479 24.944 -14.859 1.00 23.69 C ATOM 750 CZ TYR A 942 26.856 24.254 -15.892 1.00 23.97 C ATOM 751 OH TYR A 942 26.522 24.918 -17.049 1.00 24.75 O ATOM 752 HA TYR A 942 30.062 22.642 -12.424 1.00 0.00 H ATOM 753 HB3 TYR A 942 27.830 22.813 -11.439 1.00 0.00 H ATOM 754 HB2 TYR A 942 27.388 21.267 -12.201 1.00 0.00 H ATOM 755 HD2 TYR A 942 28.325 24.808 -12.886 1.00 0.00 H ATOM 756 HE2 TYR A 942 27.686 26.010 -14.958 1.00 0.00 H ATOM 757 HE1 TYR A 942 26.092 22.361 -16.579 1.00 0.00 H ATOM 758 HD1 TYR A 942 26.742 21.164 -14.504 1.00 0.00 H ATOM 759 HH TYR A 942 25.896 25.655 -16.836 1.00 0.00 H ATOM 760 H TYR A 942 29.127 19.951 -13.472 1.00 0.00 H ATOM 761 N PRO A 943 30.152 21.786 -9.919 1.00 19.61 N ATOM 762 CA PRO A 943 30.481 21.162 -8.634 1.00 20.42 C ATOM 763 C PRO A 943 29.386 20.204 -8.171 1.00 20.99 C ATOM 764 O PRO A 943 29.656 19.218 -7.484 1.00 20.46 O ATOM 765 CB PRO A 943 30.642 22.360 -7.702 1.00 19.91 C ATOM 766 CG PRO A 943 31.154 23.427 -8.623 1.00 19.12 C ATOM 767 CD PRO A 943 30.264 23.251 -9.832 1.00 21.48 C ATOM 768 HA PRO A 943 31.374 20.539 -8.674 1.00 0.00 H ATOM 769 HD3 PRO A 943 29.290 23.715 -9.678 1.00 0.00 H ATOM 770 HD2 PRO A 943 30.725 23.667 -10.728 1.00 0.00 H ATOM 771 HG3 PRO A 943 32.202 23.264 -8.875 1.00 0.00 H ATOM 772 HG2 PRO A 943 31.037 24.418 -8.185 1.00 0.00 H ATOM 773 HB2 PRO A 943 29.687 22.646 -7.260 1.00 0.00 H ATOM 774 HB3 PRO A 943 31.359 22.148 -6.909 1.00 0.00 H ATOM 775 N GLU A 944 28.153 20.496 -8.572 1.00 20.88 N ATOM 776 CA GLU A 944 27.007 19.673 -8.211 1.00 22.33 C ATOM 777 C GLU A 944 27.046 18.303 -8.878 1.00 22.78 C ATOM 778 O GLU A 944 26.198 17.461 -8.610 1.00 23.77 O ATOM 779 CB GLU A 944 25.701 20.386 -8.576 1.00 22.33 C ATOM 780 CG GLU A 944 25.402 21.638 -7.759 1.00 23.26 C ATOM 781 CD GLU A 944 26.415 22.753 -7.975 1.00 25.38 C ATOM 782 OE1 GLU A 944 26.669 23.119 -9.143 1.00 24.45 O ATOM 783 OE2 GLU A 944 26.950 23.264 -6.971 1.00 23.79 O ATOM 784 HA GLU A 944 27.054 19.519 -7.133 1.00 0.00 H ATOM 785 HB2 GLU A 944 25.753 20.672 -9.627 1.00 0.00 H ATOM 786 HB3 GLU A 944 24.880 19.684 -8.432 1.00 0.00 H ATOM 787 HG2 GLU A 944 24.415 22.007 -8.039 1.00 0.00 H ATOM 788 HG3 GLU A 944 25.402 21.370 -6.702 1.00 0.00 H ATOM 789 H GLU A 944 28.002 21.339 -9.162 1.00 0.00 H ATOM 790 N ASP A 945 28.033 18.077 -9.740 1.00 22.85 N ATOM 791 CA ASP A 945 28.152 16.796 -10.419 1.00 23.32 C ATOM 792 C ASP A 945 29.088 15.814 -9.708 1.00 22.62 C ATOM 793 O ASP A 945 29.269 14.691 -10.168 1.00 23.21 O ATOM 794 CB ASP A 945 28.621 16.987 -11.867 1.00 24.23 C ATOM 795 CG ASP A 945 27.587 17.697 -12.735 1.00 24.70 C ATOM 796 OD1 ASP A 945 26.381 17.419 -12.584 1.00 24.79 O ATOM 797 OD2 ASP A 945 27.983 18.523 -13.581 1.00 23.24 O ATOM 798 HA ASP A 945 27.153 16.361 -10.403 1.00 0.00 H ATOM 799 HB2 ASP A 945 29.537 17.578 -11.862 1.00 0.00 H ATOM 800 HB3 ASP A 945 28.825 16.007 -12.299 1.00 0.00 H ATOM 801 H ASP A 945 28.729 18.826 -9.931 1.00 0.00 H ATOM 802 N ILE A 946 29.688 16.240 -8.600 1.00 23.58 N ATOM 803 CA ILE A 946 30.583 15.378 -7.825 1.00 24.95 C ATOM 804 C ILE A 946 29.765 14.815 -6.663 1.00 26.86 C ATOM 805 O ILE A 946 29.193 15.576 -5.885 1.00 27.69 O ATOM 806 CB ILE A 946 31.768 16.171 -7.228 1.00 26.31 C ATOM 807 CG1 ILE A 946 32.527 16.906 -8.335 1.00 25.01 C ATOM 808 CG2 ILE A 946 32.697 15.228 -6.484 1.00 25.02 C ATOM 809 CD1 ILE A 946 33.213 15.997 -9.316 1.00 29.77 C ATOM 810 HA ILE A 946 30.984 14.603 -8.478 1.00 0.00 H ATOM 811 HB ILE A 946 31.382 16.911 -6.527 1.00 0.00 H ATOM 812 HG12 ILE A 946 31.818 17.528 -8.882 1.00 0.00 H ATOM 813 HG13 ILE A 946 33.282 17.540 -7.870 1.00 0.00 H ATOM 814 HD11 ILE A 946 33.936 15.375 -8.789 1.00 0.00 H ATOM 815 HD12 ILE A 946 32.471 15.362 -9.801 1.00 0.00 H ATOM 816 HD13 ILE A 946 33.727 16.597 -10.067 1.00 0.00 H ATOM 817 HG21 ILE A 946 32.148 14.739 -5.679 1.00 0.00 H ATOM 818 HG22 ILE A 946 33.078 14.476 -7.175 1.00 0.00 H ATOM 819 HG23 ILE A 946 33.529 15.794 -6.066 1.00 0.00 H ATOM 820 H ILE A 946 29.517 17.213 -8.275 1.00 0.00 H ATOM 821 N VAL A 947 29.707 13.495 -6.536 1.00 28.24 N ATOM 822 CA VAL A 947 28.919 12.890 -5.461 1.00 30.70 C ATOM 823 C VAL A 947 29.698 12.655 -4.166 1.00 30.44 C ATOM 824 O VAL A 947 30.904 12.395 -4.189 1.00 32.24 O ATOM 825 CB VAL A 947 28.293 11.550 -5.923 1.00 31.69 C ATOM 826 CG1 VAL A 947 27.670 11.724 -7.301 1.00 32.81 C ATOM 827 CG2 VAL A 947 29.331 10.459 -5.941 1.00 34.64 C ATOM 828 HA VAL A 947 28.142 13.621 -5.237 1.00 0.00 H ATOM 829 HB VAL A 947 27.514 11.260 -5.218 1.00 0.00 H ATOM 830 HG11 VAL A 947 26.895 12.489 -7.254 1.00 0.00 H ATOM 831 HG12 VAL A 947 28.440 12.028 -8.011 1.00 0.00 H ATOM 832 HG13 VAL A 947 27.231 10.779 -7.622 1.00 0.00 H ATOM 833 HG21 VAL A 947 30.131 10.732 -6.629 1.00 0.00 H ATOM 834 HG22 VAL A 947 29.740 10.332 -4.939 1.00 0.00 H ATOM 835 HG23 VAL A 947 28.871 9.527 -6.268 1.00 0.00 H ATOM 836 H VAL A 947 30.224 12.888 -7.204 1.00 0.00 H TER 837 VAL A 947 ATOM 838 N GLY A 955 35.566 23.215 -0.430 1.00 43.91 N ATOM 839 CA GLY A 955 36.269 23.681 -1.616 1.00 42.19 C ATOM 840 C GLY A 955 36.440 22.559 -2.622 1.00 41.69 C ATOM 841 O GLY A 955 35.886 21.474 -2.437 1.00 42.26 O ATOM 842 HA3 GLY A 955 37.252 24.053 -1.325 1.00 0.00 H ATOM 843 HA2 GLY A 955 35.698 24.488 -2.075 1.00 0.00 H ATOM 844 HN3 GLY A 955 36.109 22.448 0.014 1.00 0.00 H ATOM 845 HN2 GLY A 955 34.626 22.863 -0.702 1.00 0.00 H ATOM 846 HN1 GLY A 955 35.462 24.002 0.242 1.00 0.00 H ATOM 847 N PRO A 956 37.197 22.786 -3.705 1.00 39.43 N ATOM 848 CA PRO A 956 37.406 21.747 -4.714 1.00 38.12 C ATOM 849 C PRO A 956 38.496 20.766 -4.309 1.00 37.11 C ATOM 850 O PRO A 956 39.374 21.089 -3.509 1.00 36.48 O ATOM 851 CB PRO A 956 37.817 22.545 -5.935 1.00 37.79 C ATOM 852 CG PRO A 956 38.674 23.623 -5.304 1.00 38.89 C ATOM 853 CD PRO A 956 37.815 24.056 -4.125 1.00 38.45 C ATOM 854 HA PRO A 956 36.523 21.128 -4.871 1.00 0.00 H ATOM 855 HD3 PRO A 956 38.424 24.482 -3.328 1.00 0.00 H ATOM 856 HD2 PRO A 956 37.060 24.781 -4.431 1.00 0.00 H ATOM 857 HG3 PRO A 956 38.845 24.449 -5.995 1.00 0.00 H ATOM 858 HG2 PRO A 956 39.632 23.224 -4.972 1.00 0.00 H ATOM 859 HB2 PRO A 956 38.390 21.938 -6.636 1.00 0.00 H ATOM 860 HB3 PRO A 956 36.952 22.969 -6.446 1.00 0.00 H ATOM 861 N PRO A 957 38.455 19.552 -4.864 1.00 36.29 N ATOM 862 CA PRO A 957 39.463 18.539 -4.547 1.00 36.19 C ATOM 863 C PRO A 957 40.795 18.949 -5.176 1.00 35.25 C ATOM 864 O PRO A 957 40.843 19.886 -5.976 1.00 34.78 O ATOM 865 CB PRO A 957 38.880 17.272 -5.170 1.00 36.55 C ATOM 866 CG PRO A 957 38.158 17.787 -6.353 1.00 36.44 C ATOM 867 CD PRO A 957 37.464 19.031 -5.823 1.00 36.96 C ATOM 868 HA PRO A 957 39.667 18.405 -3.485 1.00 0.00 H ATOM 869 HD3 PRO A 957 37.271 19.747 -6.622 1.00 0.00 H ATOM 870 HD2 PRO A 957 36.526 18.780 -5.327 1.00 0.00 H ATOM 871 HG3 PRO A 957 37.432 17.059 -6.716 1.00 0.00 H ATOM 872 HG2 PRO A 957 38.851 18.038 -7.156 1.00 0.00 H ATOM 873 HB2 PRO A 957 39.669 16.580 -5.463 1.00 0.00 H ATOM 874 HB3 PRO A 957 38.198 16.774 -4.481 1.00 0.00 H ATOM 875 N ALA A 958 41.871 18.256 -4.819 1.00 34.17 N ATOM 876 CA ALA A 958 43.188 18.581 -5.357 1.00 34.27 C ATOM 877 C ALA A 958 43.444 17.871 -6.674 1.00 34.46 C ATOM 878 O ALA A 958 42.847 16.830 -6.952 1.00 33.31 O ATOM 879 CB ALA A 958 44.264 18.201 -4.347 1.00 35.65 C ATOM 880 HA ALA A 958 43.220 19.654 -5.544 1.00 0.00 H ATOM 881 HB1 ALA A 958 44.104 18.755 -3.422 1.00 0.00 H ATOM 882 HB2 ALA A 958 44.210 17.131 -4.145 1.00 0.00 H ATOM 883 HB3 ALA A 958 45.245 18.446 -4.754 1.00 0.00 H ATOM 884 H ALA A 958 41.773 17.470 -4.146 1.00 0.00 H ATOM 885 N GLU A 959 44.331 18.429 -7.492 1.00 35.55 N ATOM 886 CA GLU A 959 44.644 17.787 -8.760 1.00 38.07 C ATOM 887 C GLU A 959 45.077 16.354 -8.447 1.00 37.01 C ATOM 888 O GLU A 959 45.860 16.126 -7.532 1.00 36.77 O ATOM 889 CB GLU A 959 45.772 18.522 -9.497 1.00 40.13 C ATOM 890 CG GLU A 959 46.046 17.929 -10.892 1.00 45.05 C ATOM 891 CD GLU A 959 47.099 18.687 -11.689 1.00 46.95 C ATOM 892 OE1 GLU A 959 48.289 18.651 -11.303 1.00 50.89 O ATOM 893 OE2 GLU A 959 46.738 19.319 -12.708 1.00 48.27 O ATOM 894 HA GLU A 959 43.769 17.806 -9.409 1.00 0.00 H ATOM 895 HB2 GLU A 959 45.492 19.569 -9.610 1.00 0.00 H ATOM 896 HB3 GLU A 959 46.683 18.453 -8.902 1.00 0.00 H ATOM 897 HG2 GLU A 959 46.384 16.900 -10.768 1.00 0.00 H ATOM 898 HG3 GLU A 959 45.115 17.938 -11.458 1.00 0.00 H ATOM 899 H GLU A 959 44.799 19.319 -7.227 1.00 0.00 H ATOM 900 N GLY A 960 44.544 15.394 -9.196 1.00 36.79 N ATOM 901 CA GLY A 960 44.889 14.002 -8.976 1.00 36.27 C ATOM 902 C GLY A 960 43.987 13.251 -8.010 1.00 36.93 C ATOM 903 O GLY A 960 44.000 12.018 -7.998 1.00 38.40 O ATOM 904 HA3 GLY A 960 45.906 13.965 -8.585 1.00 0.00 H ATOM 905 HA2 GLY A 960 44.852 13.490 -9.938 1.00 0.00 H ATOM 906 H GLY A 960 43.871 15.644 -9.949 1.00 0.00 H ATOM 907 N GLU A 961 43.212 13.975 -7.203 1.00 35.04 N ATOM 908 CA GLU A 961 42.313 13.356 -6.223 1.00 34.86 C ATOM 909 C GLU A 961 41.206 12.540 -6.889 1.00 34.11 C ATOM 910 O GLU A 961 40.584 12.983 -7.860 1.00 33.26 O ATOM 911 CB GLU A 961 41.684 14.430 -5.327 1.00 35.23 C ATOM 912 CG GLU A 961 40.999 13.894 -4.080 1.00 36.92 C ATOM 913 CD GLU A 961 40.573 15.000 -3.117 1.00 39.30 C ATOM 914 OE1 GLU A 961 41.363 15.948 -2.906 1.00 39.77 O ATOM 915 OE2 GLU A 961 39.457 14.917 -2.555 1.00 38.37 O ATOM 916 HA GLU A 961 42.916 12.676 -5.622 1.00 0.00 H ATOM 917 HB2 GLU A 961 42.471 15.116 -5.014 1.00 0.00 H ATOM 918 HB3 GLU A 961 40.944 14.973 -5.915 1.00 0.00 H ATOM 919 HG2 GLU A 961 40.114 13.335 -4.382 1.00 0.00 H ATOM 920 HG3 GLU A 961 41.689 13.228 -3.562 1.00 0.00 H ATOM 921 H GLU A 961 43.246 15.012 -7.270 1.00 0.00 H ATOM 922 N VAL A 962 40.959 11.344 -6.363 1.00 33.29 N ATOM 923 CA VAL A 962 39.930 10.480 -6.924 1.00 32.42 C ATOM 924 C VAL A 962 38.544 10.966 -6.521 1.00 31.20 C ATOM 925 O VAL A 962 38.266 11.212 -5.346 1.00 30.13 O ATOM 926 CB VAL A 962 40.105 9.006 -6.466 1.00 33.64 C ATOM 927 CG1 VAL A 962 39.027 8.131 -7.097 1.00 32.27 C ATOM 928 CG2 VAL A 962 41.487 8.493 -6.868 1.00 33.53 C ATOM 929 HA VAL A 962 40.034 10.522 -8.008 1.00 0.00 H ATOM 930 HB VAL A 962 40.010 8.962 -5.381 1.00 0.00 H ATOM 931 HG11 VAL A 962 38.044 8.488 -6.789 1.00 0.00 H ATOM 932 HG12 VAL A 962 39.109 8.182 -8.183 1.00 0.00 H ATOM 933 HG13 VAL A 962 39.160 7.100 -6.769 1.00 0.00 H ATOM 934 HG21 VAL A 962 41.592 8.547 -7.952 1.00 0.00 H ATOM 935 HG22 VAL A 962 42.253 9.109 -6.396 1.00 0.00 H ATOM 936 HG23 VAL A 962 41.598 7.459 -6.542 1.00 0.00 H ATOM 937 H VAL A 962 41.508 11.022 -5.540 1.00 0.00 H ATOM 938 N VAL A 963 37.677 11.110 -7.513 1.00 30.17 N ATOM 939 CA VAL A 963 36.323 11.564 -7.273 1.00 29.62 C ATOM 940 C VAL A 963 35.319 10.753 -8.076 1.00 28.19 C ATOM 941 O VAL A 963 35.669 10.092 -9.054 1.00 28.94 O ATOM 942 CB VAL A 963 36.162 13.054 -7.637 1.00 29.60 C ATOM 943 CG1 VAL A 963 36.873 13.923 -6.611 1.00 30.25 C ATOM 944 CG2 VAL A 963 36.719 13.308 -9.025 1.00 28.64 C ATOM 945 HA VAL A 963 36.128 11.428 -6.209 1.00 0.00 H ATOM 946 HB VAL A 963 35.103 13.310 -7.632 1.00 0.00 H ATOM 947 HG11 VAL A 963 36.442 13.746 -5.626 1.00 0.00 H ATOM 948 HG12 VAL A 963 37.933 13.671 -6.595 1.00 0.00 H ATOM 949 HG13 VAL A 963 36.752 14.973 -6.879 1.00 0.00 H ATOM 950 HG21 VAL A 963 37.776 13.044 -9.045 1.00 0.00 H ATOM 951 HG22 VAL A 963 36.178 12.699 -9.749 1.00 0.00 H ATOM 952 HG23 VAL A 963 36.602 14.362 -9.275 1.00 0.00 H ATOM 953 H VAL A 963 37.976 10.892 -8.485 1.00 0.00 H ATOM 954 N GLN A 964 34.067 10.819 -7.649 1.00 27.92 N ATOM 955 CA GLN A 964 32.981 10.118 -8.315 1.00 28.60 C ATOM 956 C GLN A 964 32.073 11.161 -8.961 1.00 27.22 C ATOM 957 O GLN A 964 31.551 12.057 -8.290 1.00 25.32 O ATOM 958 CB GLN A 964 32.205 9.277 -7.299 1.00 29.20 C ATOM 959 CG GLN A 964 33.083 8.266 -6.570 1.00 32.81 C ATOM 960 CD GLN A 964 33.886 7.400 -7.530 1.00 36.65 C ATOM 961 OE1 GLN A 964 33.326 6.790 -8.451 1.00 39.76 O ATOM 962 NE2 GLN A 964 35.204 7.337 -7.322 1.00 36.81 N ATOM 963 HA GLN A 964 33.369 9.445 -9.079 1.00 0.00 H ATOM 964 HB2 GLN A 964 31.759 9.945 -6.562 1.00 0.00 H ATOM 965 HB3 GLN A 964 31.416 8.738 -7.824 1.00 0.00 H ATOM 966 HG2 GLN A 964 33.774 8.805 -5.922 1.00 0.00 H ATOM 967 HG3 GLN A 964 32.447 7.621 -5.964 1.00 0.00 H ATOM 968 HE22 GLN A 964 35.632 7.866 -6.536 1.00 0.00 H ATOM 969 HE21 GLN A 964 35.802 6.759 -7.946 1.00 0.00 H ATOM 970 H GLN A 964 33.853 11.392 -6.808 1.00 0.00 H ATOM 971 N VAL A 965 31.898 11.041 -10.271 1.00 26.05 N ATOM 972 CA VAL A 965 31.087 11.983 -11.023 1.00 24.59 C ATOM 973 C VAL A 965 29.729 11.454 -11.484 1.00 25.08 C ATOM 974 O VAL A 965 29.635 10.378 -12.069 1.00 26.50 O ATOM 975 CB VAL A 965 31.868 12.481 -12.259 1.00 23.39 C ATOM 976 CG1 VAL A 965 31.003 13.443 -13.088 1.00 18.81 C ATOM 977 CG2 VAL A 965 33.154 13.150 -11.812 1.00 23.16 C ATOM 978 HA VAL A 965 30.876 12.790 -10.321 1.00 0.00 H ATOM 979 HB VAL A 965 32.120 11.631 -12.893 1.00 0.00 H ATOM 980 HG11 VAL A 965 30.103 12.925 -13.421 1.00 0.00 H ATOM 981 HG12 VAL A 965 30.725 14.300 -12.474 1.00 0.00 H ATOM 982 HG13 VAL A 965 31.569 13.784 -13.955 1.00 0.00 H ATOM 983 HG21 VAL A 965 32.917 13.996 -11.167 1.00 0.00 H ATOM 984 HG22 VAL A 965 33.763 12.433 -11.262 1.00 0.00 H ATOM 985 HG23 VAL A 965 33.703 13.500 -12.686 1.00 0.00 H ATOM 986 H VAL A 965 32.353 10.252 -10.772 1.00 0.00 H ATOM 987 N ARG A 966 28.679 12.217 -11.202 1.00 23.65 N ATOM 988 CA ARG A 966 27.329 11.859 -11.629 1.00 24.66 C ATOM 989 C ARG A 966 27.201 12.449 -13.033 1.00 24.26 C ATOM 990 O ARG A 966 27.126 13.667 -13.189 1.00 23.45 O ATOM 991 CB ARG A 966 26.283 12.492 -10.703 1.00 23.01 C ATOM 992 CG ARG A 966 24.846 12.394 -11.207 1.00 24.53 C ATOM 993 CD ARG A 966 24.238 11.037 -10.931 1.00 23.46 C ATOM 994 NE ARG A 966 24.031 10.816 -9.505 1.00 23.27 N ATOM 995 CZ ARG A 966 23.700 9.645 -8.972 1.00 26.49 C ATOM 996 NH1 ARG A 966 23.532 8.573 -9.747 1.00 22.68 N ATOM 997 NH2 ARG A 966 23.552 9.541 -7.656 1.00 28.92 N ATOM 998 HA ARG A 966 27.165 10.782 -11.606 1.00 0.00 H ATOM 999 HB2 ARG A 966 26.339 11.993 -9.735 1.00 0.00 H ATOM 1000 HB3 ARG A 966 26.530 13.547 -10.582 1.00 0.00 H ATOM 1001 HG2 ARG A 966 24.246 13.156 -10.710 1.00 0.00 H ATOM 1002 HG3 ARG A 966 24.837 12.571 -12.282 1.00 0.00 H ATOM 1003 HD2 ARG A 966 24.906 10.266 -11.314 1.00 0.00 H ATOM 1004 HD3 ARG A 966 23.277 10.970 -11.442 1.00 0.00 H ATOM 1005 HE ARG A 966 24.150 11.626 -8.864 1.00 0.00 H ATOM 1006 HH12 ARG A 966 23.273 7.660 -9.322 1.00 0.00 H ATOM 1007 HH11 ARG A 966 23.660 8.650 -10.776 1.00 0.00 H ATOM 1008 HH22 ARG A 966 23.293 8.627 -7.232 1.00 0.00 H ATOM 1009 HH21 ARG A 966 23.695 10.373 -7.049 1.00 0.00 H ATOM 1010 H ARG A 966 28.822 13.094 -10.662 1.00 0.00 H ATOM 1011 N TRP A 967 27.197 11.582 -14.041 1.00 25.06 N ATOM 1012 CA TRP A 967 27.104 12.000 -15.436 1.00 24.45 C ATOM 1013 C TRP A 967 25.665 12.287 -15.862 1.00 24.85 C ATOM 1014 O TRP A 967 24.726 12.078 -15.097 1.00 24.78 O ATOM 1015 CB TRP A 967 27.714 10.921 -16.346 1.00 25.13 C ATOM 1016 CG TRP A 967 27.954 11.374 -17.755 1.00 27.17 C ATOM 1017 CD1 TRP A 967 27.451 10.812 -18.894 1.00 29.42 C ATOM 1018 CD2 TRP A 967 28.780 12.468 -18.179 1.00 28.16 C ATOM 1019 NE1 TRP A 967 27.914 11.487 -20.003 1.00 29.62 N ATOM 1020 CE2 TRP A 967 28.731 12.507 -19.593 1.00 29.14 C ATOM 1021 CE3 TRP A 967 29.557 13.419 -17.501 1.00 27.08 C ATOM 1022 CZ2 TRP A 967 29.432 13.461 -20.345 1.00 29.46 C ATOM 1023 CZ3 TRP A 967 30.256 14.370 -18.252 1.00 29.54 C ATOM 1024 CH2 TRP A 967 30.185 14.380 -19.660 1.00 27.87 C ATOM 1025 HA TRP A 967 27.663 12.930 -15.535 1.00 0.00 H ATOM 1026 HB2 TRP A 967 28.668 10.611 -15.918 1.00 0.00 H ATOM 1027 HB3 TRP A 967 27.034 10.069 -16.371 1.00 0.00 H ATOM 1028 HE1 TRP A 967 27.681 11.259 -20.991 1.00 0.00 H ATOM 1029 HD1 TRP A 967 26.780 9.953 -18.922 1.00 0.00 H ATOM 1030 HZ2 TRP A 967 29.380 13.472 -21.434 1.00 0.00 H ATOM 1031 HH2 TRP A 967 30.741 15.135 -20.216 1.00 0.00 H ATOM 1032 HZ3 TRP A 967 30.865 15.115 -17.740 1.00 0.00 H ATOM 1033 HE3 TRP A 967 29.615 13.417 -16.413 1.00 0.00 H ATOM 1034 H TRP A 967 27.263 10.566 -13.827 1.00 0.00 H ATOM 1035 N THR A 968 25.502 12.759 -17.093 1.00 25.03 N ATOM 1036 CA THR A 968 24.184 13.100 -17.619 1.00 24.74 C ATOM 1037 C THR A 968 23.261 11.902 -17.794 1.00 23.44 C ATOM 1038 O THR A 968 22.062 12.070 -18.004 1.00 24.19 O ATOM 1039 CB THR A 968 24.299 13.817 -18.976 1.00 24.90 C ATOM 1040 OG1 THR A 968 25.145 13.050 -19.839 1.00 27.83 O ATOM 1041 CG2 THR A 968 24.878 15.213 -18.804 1.00 26.42 C ATOM 1042 HA THR A 968 23.745 13.756 -16.867 1.00 0.00 H ATOM 1043 HB THR A 968 23.304 13.910 -19.411 1.00 0.00 H ATOM 1044 HG1 THR A 968 24.753 12.150 -19.969 1.00 0.00 H ATOM 1045 HG23 THR A 968 24.232 15.795 -18.147 1.00 0.00 H ATOM 1046 HG21 THR A 968 25.873 15.141 -18.366 1.00 0.00 H ATOM 1047 HG22 THR A 968 24.942 15.701 -19.777 1.00 0.00 H ATOM 1048 H THR A 968 26.337 12.889 -17.699 1.00 0.00 H ATOM 1049 N ASP A 969 23.813 10.697 -17.711 1.00 23.80 N ATOM 1050 CA ASP A 969 23.004 9.492 -17.857 1.00 24.78 C ATOM 1051 C ASP A 969 22.474 8.973 -16.519 1.00 25.60 C ATOM 1052 O ASP A 969 21.836 7.923 -16.454 1.00 24.57 O ATOM 1053 CB ASP A 969 23.808 8.400 -18.567 1.00 25.42 C ATOM 1054 CG ASP A 969 25.093 8.045 -17.848 1.00 25.38 C ATOM 1055 OD1 ASP A 969 25.452 8.713 -16.854 1.00 26.92 O ATOM 1056 OD2 ASP A 969 25.753 7.089 -18.291 1.00 24.40 O ATOM 1057 HA ASP A 969 22.137 9.760 -18.461 1.00 0.00 H ATOM 1058 HB2 ASP A 969 23.191 7.504 -18.637 1.00 0.00 H ATOM 1059 HB3 ASP A 969 24.056 8.748 -19.570 1.00 0.00 H ATOM 1060 H ASP A 969 24.835 10.611 -17.540 1.00 0.00 H ATOM 1061 N GLY A 970 22.730 9.723 -15.454 1.00 25.18 N ATOM 1062 CA GLY A 970 22.266 9.310 -14.146 1.00 24.90 C ATOM 1063 C GLY A 970 23.199 8.294 -13.515 1.00 24.31 C ATOM 1064 O GLY A 970 22.988 7.894 -12.376 1.00 25.98 O ATOM 1065 HA3 GLY A 970 21.275 8.866 -14.246 1.00 0.00 H ATOM 1066 HA2 GLY A 970 22.207 10.185 -13.499 1.00 0.00 H ATOM 1067 H GLY A 970 23.265 10.609 -15.559 1.00 0.00 H ATOM 1068 N GLN A 971 24.230 7.881 -14.253 1.00 22.86 N ATOM 1069 CA GLN A 971 25.199 6.915 -13.751 1.00 22.15 C ATOM 1070 C GLN A 971 26.411 7.605 -13.128 1.00 24.31 C ATOM 1071 O GLN A 971 26.734 8.754 -13.449 1.00 24.02 O ATOM 1072 CB GLN A 971 25.663 5.979 -14.875 1.00 23.30 C ATOM 1073 CG GLN A 971 24.548 5.142 -15.490 1.00 21.07 C ATOM 1074 CD GLN A 971 23.734 4.405 -14.439 1.00 21.39 C ATOM 1075 OE1 GLN A 971 24.285 3.708 -13.591 1.00 23.62 O ATOM 1076 NE2 GLN A 971 22.421 4.552 -14.495 1.00 18.72 N ATOM 1077 HA GLN A 971 24.700 6.331 -12.977 1.00 0.00 H ATOM 1078 HB2 GLN A 971 26.110 6.585 -15.663 1.00 0.00 H ATOM 1079 HB3 GLN A 971 26.415 5.302 -14.468 1.00 0.00 H ATOM 1080 HG2 GLN A 971 23.884 5.800 -16.051 1.00 0.00 H ATOM 1081 HG3 GLN A 971 24.990 4.411 -16.167 1.00 0.00 H ATOM 1082 HE22 GLN A 971 21.996 5.152 -15.230 1.00 0.00 H ATOM 1083 HE21 GLN A 971 21.814 4.067 -13.804 1.00 0.00 H ATOM 1084 H GLN A 971 24.346 8.259 -15.215 1.00 0.00 H ATOM 1085 N VAL A 972 27.083 6.895 -12.235 1.00 24.14 N ATOM 1086 CA VAL A 972 28.244 7.446 -11.565 1.00 25.30 C ATOM 1087 C VAL A 972 29.527 6.859 -12.146 1.00 26.54 C ATOM 1088 O VAL A 972 29.633 5.644 -12.338 1.00 26.65 O ATOM 1089 CB VAL A 972 28.174 7.176 -10.040 1.00 23.89 C ATOM 1090 CG1 VAL A 972 29.301 7.906 -9.323 1.00 25.27 C ATOM 1091 CG2 VAL A 972 26.834 7.639 -9.499 1.00 21.86 C ATOM 1092 HA VAL A 972 28.250 8.524 -11.726 1.00 0.00 H ATOM 1093 HB VAL A 972 28.283 6.106 -9.866 1.00 0.00 H ATOM 1094 HG11 VAL A 972 30.260 7.555 -9.704 1.00 0.00 H ATOM 1095 HG12 VAL A 972 29.209 8.978 -9.500 1.00 0.00 H ATOM 1096 HG13 VAL A 972 29.239 7.707 -8.253 1.00 0.00 H ATOM 1097 HG21 VAL A 972 26.719 8.707 -9.683 1.00 0.00 H ATOM 1098 HG22 VAL A 972 26.034 7.094 -10.000 1.00 0.00 H ATOM 1099 HG23 VAL A 972 26.790 7.447 -8.427 1.00 0.00 H ATOM 1100 H VAL A 972 26.773 5.928 -12.011 1.00 0.00 H ATOM 1101 N TYR A 973 30.488 7.731 -12.446 1.00 27.28 N ATOM 1102 CA TYR A 973 31.769 7.301 -13.002 1.00 25.02 C ATOM 1103 C TYR A 973 32.921 7.772 -12.132 1.00 26.15 C ATOM 1104 O TYR A 973 32.851 8.834 -11.521 1.00 25.49 O ATOM 1105 CB TYR A 973 31.956 7.843 -14.418 1.00 25.32 C ATOM 1106 CG TYR A 973 30.919 7.370 -15.409 1.00 24.67 C ATOM 1107 CD1 TYR A 973 29.616 7.863 -15.370 1.00 23.14 C ATOM 1108 CD2 TYR A 973 31.244 6.443 -16.398 1.00 22.85 C ATOM 1109 CE1 TYR A 973 28.661 7.449 -16.296 1.00 24.41 C ATOM 1110 CE2 TYR A 973 30.297 6.021 -17.328 1.00 22.40 C ATOM 1111 CZ TYR A 973 29.011 6.528 -17.272 1.00 21.85 C ATOM 1112 OH TYR A 973 28.082 6.133 -18.192 1.00 24.18 O ATOM 1113 HA TYR A 973 31.764 6.211 -13.032 1.00 0.00 H ATOM 1114 HB3 TYR A 973 32.937 7.531 -14.776 1.00 0.00 H ATOM 1115 HB2 TYR A 973 31.915 8.931 -14.375 1.00 0.00 H ATOM 1116 HD2 TYR A 973 32.256 6.042 -16.444 1.00 0.00 H ATOM 1117 HE2 TYR A 973 30.567 5.296 -18.095 1.00 0.00 H ATOM 1118 HE1 TYR A 973 27.647 7.846 -16.254 1.00 0.00 H ATOM 1119 HD1 TYR A 973 29.339 8.585 -14.602 1.00 0.00 H ATOM 1120 HH TYR A 973 27.222 6.588 -18.008 1.00 0.00 H ATOM 1121 H TYR A 973 30.322 8.744 -12.280 1.00 0.00 H ATOM 1122 N GLY A 974 33.981 6.971 -12.076 1.00 26.63 N ATOM 1123 CA GLY A 974 35.137 7.336 -11.274 1.00 28.28 C ATOM 1124 C GLY A 974 36.073 8.224 -12.066 1.00 27.30 C ATOM 1125 O GLY A 974 36.231 8.042 -13.270 1.00 26.51 O ATOM 1126 HA3 GLY A 974 35.667 6.431 -10.976 1.00 0.00 H ATOM 1127 HA2 GLY A 974 34.803 7.870 -10.384 1.00 0.00 H ATOM 1128 H GLY A 974 33.983 6.078 -12.609 1.00 0.00 H ATOM 1129 N ALA A 975 36.692 9.191 -11.400 1.00 27.30 N ATOM 1130 CA ALA A 975 37.606 10.090 -12.086 1.00 27.60 C ATOM 1131 C ALA A 975 38.620 10.706 -11.136 1.00 29.04 C ATOM 1132 O ALA A 975 38.535 10.535 -9.924 1.00 30.09 O ATOM 1133 CB ALA A 975 36.817 11.197 -12.778 1.00 24.85 C ATOM 1134 HA ALA A 975 38.154 9.503 -12.823 1.00 0.00 H ATOM 1135 HB1 ALA A 975 36.133 10.755 -13.502 1.00 0.00 H ATOM 1136 HB2 ALA A 975 36.250 11.756 -12.034 1.00 0.00 H ATOM 1137 HB3 ALA A 975 37.507 11.867 -13.290 1.00 0.00 H ATOM 1138 H ALA A 975 36.522 9.306 -10.380 1.00 0.00 H ATOM 1139 N LYS A 976 39.587 11.419 -11.703 1.00 30.46 N ATOM 1140 CA LYS A 976 40.592 12.114 -10.909 1.00 32.07 C ATOM 1141 C LYS A 976 40.446 13.581 -11.277 1.00 32.27 C ATOM 1142 O LYS A 976 40.342 13.924 -12.462 1.00 31.05 O ATOM 1143 CB LYS A 976 42.008 11.620 -11.242 1.00 34.30 C ATOM 1144 CG LYS A 976 42.260 10.161 -10.864 1.00 36.90 C ATOM 1145 CD LYS A 976 43.728 9.778 -11.028 1.00 39.60 C ATOM 1146 CE LYS A 976 43.946 8.272 -10.840 1.00 42.75 C ATOM 1147 NZ LYS A 976 43.522 7.469 -12.042 1.00 44.50 N ATOM 1148 HA LYS A 976 40.448 11.937 -9.843 1.00 0.00 H ATOM 1149 HB2 LYS A 976 42.166 11.729 -12.315 1.00 0.00 H ATOM 1150 HB3 LYS A 976 42.724 12.242 -10.705 1.00 0.00 H ATOM 1151 HG2 LYS A 976 41.970 10.011 -9.824 1.00 0.00 H ATOM 1152 HG3 LYS A 976 41.654 9.521 -11.505 1.00 0.00 H ATOM 1153 HD2 LYS A 976 44.058 10.061 -12.028 1.00 0.00 H ATOM 1154 HD3 LYS A 976 44.319 10.316 -10.286 1.00 0.00 H ATOM 1155 HE2 LYS A 976 43.368 7.941 -9.977 1.00 0.00 H ATOM 1156 HE3 LYS A 976 45.005 8.093 -10.657 1.00 0.00 H ATOM 1157 HZ1 LYS A 976 42.510 7.625 -12.222 1.00 0.00 H ATOM 1158 HZ2 LYS A 976 44.073 7.770 -12.871 1.00 0.00 H ATOM 1159 HZ3 LYS A 976 43.691 6.459 -11.860 1.00 0.00 H ATOM 1160 H LYS A 976 39.628 11.483 -12.740 1.00 0.00 H ATOM 1161 N PHE A 977 40.413 14.437 -10.259 1.00 31.81 N ATOM 1162 CA PHE A 977 40.262 15.874 -10.456 1.00 32.56 C ATOM 1163 C PHE A 977 41.497 16.513 -11.090 1.00 33.35 C ATOM 1164 O PHE A 977 42.638 16.184 -10.738 1.00 33.04 O ATOM 1165 CB PHE A 977 39.977 16.559 -9.121 1.00 32.19 C ATOM 1166 CG PHE A 977 39.619 18.012 -9.250 1.00 32.46 C ATOM 1167 CD1 PHE A 977 38.356 18.393 -9.703 1.00 33.00 C ATOM 1168 CD2 PHE A 977 40.541 19.003 -8.924 1.00 31.88 C ATOM 1169 CE1 PHE A 977 38.017 19.745 -9.830 1.00 34.48 C ATOM 1170 CE2 PHE A 977 40.212 20.359 -9.048 1.00 32.85 C ATOM 1171 CZ PHE A 977 38.952 20.731 -9.501 1.00 31.28 C ATOM 1172 HA PHE A 977 39.426 16.011 -11.142 1.00 0.00 H ATOM 1173 HB2 PHE A 977 39.147 16.042 -8.639 1.00 0.00 H ATOM 1174 HB3 PHE A 977 40.866 16.478 -8.496 1.00 0.00 H ATOM 1175 HD2 PHE A 977 41.532 18.720 -8.568 1.00 0.00 H ATOM 1176 HE2 PHE A 977 40.945 21.123 -8.789 1.00 0.00 H ATOM 1177 HZ PHE A 977 38.694 21.785 -9.599 1.00 0.00 H ATOM 1178 HE1 PHE A 977 37.026 20.029 -10.185 1.00 0.00 H ATOM 1179 HD1 PHE A 977 37.624 17.628 -9.961 1.00 0.00 H ATOM 1180 H PHE A 977 40.498 14.069 -9.290 1.00 0.00 H ATOM 1181 N VAL A 978 41.256 17.430 -12.020 1.00 31.41 N ATOM 1182 CA VAL A 978 42.329 18.133 -12.706 1.00 30.84 C ATOM 1183 C VAL A 978 42.415 19.578 -12.219 1.00 31.00 C ATOM 1184 O VAL A 978 43.431 19.981 -11.643 1.00 31.18 O ATOM 1185 CB VAL A 978 42.110 18.116 -14.227 1.00 30.13 C ATOM 1186 CG1 VAL A 978 43.163 18.975 -14.915 1.00 30.69 C ATOM 1187 CG2 VAL A 978 42.173 16.677 -14.737 1.00 28.92 C ATOM 1188 HA VAL A 978 43.264 17.620 -12.480 1.00 0.00 H ATOM 1189 HB VAL A 978 41.127 18.528 -14.456 1.00 0.00 H ATOM 1190 HG11 VAL A 978 43.087 20.000 -14.553 1.00 0.00 H ATOM 1191 HG12 VAL A 978 44.154 18.581 -14.691 1.00 0.00 H ATOM 1192 HG13 VAL A 978 42.998 18.956 -15.992 1.00 0.00 H ATOM 1193 HG21 VAL A 978 43.150 16.254 -14.506 1.00 0.00 H ATOM 1194 HG22 VAL A 978 41.396 16.087 -14.252 1.00 0.00 H ATOM 1195 HG23 VAL A 978 42.017 16.668 -15.816 1.00 0.00 H ATOM 1196 H VAL A 978 40.270 17.652 -12.265 1.00 0.00 H ATOM 1197 N ALA A 979 41.345 20.347 -12.428 1.00 29.28 N ATOM 1198 CA ALA A 979 41.320 21.751 -12.014 1.00 27.39 C ATOM 1199 C ALA A 979 39.938 22.385 -12.131 1.00 28.02 C ATOM 1200 O ALA A 979 39.072 21.887 -12.853 1.00 25.27 O ATOM 1201 CB ALA A 979 42.312 22.547 -12.847 1.00 27.90 C ATOM 1202 HA ALA A 979 41.595 21.774 -10.960 1.00 0.00 H ATOM 1203 HB1 ALA A 979 43.314 22.144 -12.700 1.00 0.00 H ATOM 1204 HB2 ALA A 979 42.041 22.475 -13.900 1.00 0.00 H ATOM 1205 HB3 ALA A 979 42.290 23.591 -12.536 1.00 0.00 H ATOM 1206 H ALA A 979 40.510 19.940 -12.896 1.00 0.00 H ATOM 1207 N SER A 980 39.733 23.485 -11.411 1.00 26.37 N ATOM 1208 CA SER A 980 38.466 24.185 -11.484 1.00 28.90 C ATOM 1209 C SER A 980 38.660 25.412 -12.384 1.00 29.04 C ATOM 1210 O SER A 980 39.751 25.990 -12.436 1.00 29.61 O ATOM 1211 CB SER A 980 37.983 24.588 -10.085 1.00 29.16 C ATOM 1212 OG SER A 980 38.942 25.358 -9.400 1.00 34.78 O ATOM 1213 HA SER A 980 37.698 23.536 -11.905 1.00 0.00 H ATOM 1214 HB2 SER A 980 37.778 23.686 -9.509 1.00 0.00 H ATOM 1215 HB3 SER A 980 37.067 25.171 -10.182 1.00 0.00 H ATOM 1216 HG SER A 980 38.593 25.597 -8.505 1.00 0.00 H ATOM 1217 H SER A 980 40.487 23.845 -10.792 1.00 0.00 H ATOM 1218 N HIS A 981 37.622 25.785 -13.121 1.00 26.92 N ATOM 1219 CA HIS A 981 37.718 26.934 -14.011 1.00 26.37 C ATOM 1220 C HIS A 981 36.633 27.958 -13.756 1.00 25.90 C ATOM 1221 O HIS A 981 35.468 27.731 -14.077 1.00 24.86 O ATOM 1222 CB HIS A 981 37.643 26.500 -15.478 1.00 27.83 C ATOM 1223 CG HIS A 981 38.668 25.484 -15.863 1.00 26.98 C ATOM 1224 ND1 HIS A 981 38.420 24.130 -15.831 1.00 28.16 N ATOM 1225 CD2 HIS A 981 39.960 25.621 -16.239 1.00 27.40 C ATOM 1226 CE1 HIS A 981 39.517 23.477 -16.168 1.00 26.10 C ATOM 1227 NE2 HIS A 981 40.466 24.358 -16.419 1.00 27.15 N ATOM 1228 HA HIS A 981 38.684 27.394 -13.804 1.00 0.00 H ATOM 1229 HB2 HIS A 981 36.655 26.077 -15.661 1.00 0.00 H ATOM 1230 HB3 HIS A 981 37.781 27.381 -16.104 1.00 0.00 H ATOM 1231 HD2 HIS A 981 40.499 26.559 -16.374 1.00 0.00 H ATOM 1232 HE1 HIS A 981 39.621 22.394 -16.229 1.00 0.00 H ATOM 1233 H HIS A 981 36.731 25.252 -13.063 1.00 0.00 H ATOM 1234 N PRO A 982 36.996 29.098 -13.148 1.00 24.38 N ATOM 1235 CA PRO A 982 35.976 30.112 -12.896 1.00 23.02 C ATOM 1236 C PRO A 982 35.802 30.881 -14.197 1.00 24.13 C ATOM 1237 O PRO A 982 36.775 31.174 -14.880 1.00 22.81 O ATOM 1238 CB PRO A 982 36.599 30.954 -11.791 1.00 23.39 C ATOM 1239 CG PRO A 982 38.054 30.915 -12.144 1.00 23.87 C ATOM 1240 CD PRO A 982 38.272 29.462 -12.505 1.00 23.29 C ATOM 1241 HA PRO A 982 34.992 29.751 -12.597 1.00 0.00 H ATOM 1242 HD3 PRO A 982 39.108 29.348 -13.195 1.00 0.00 H ATOM 1243 HD2 PRO A 982 38.452 28.858 -11.616 1.00 0.00 H ATOM 1244 HG3 PRO A 982 38.672 31.206 -11.295 1.00 0.00 H ATOM 1245 HG2 PRO A 982 38.271 31.567 -12.990 1.00 0.00 H ATOM 1246 HB2 PRO A 982 36.215 31.974 -11.807 1.00 0.00 H ATOM 1247 HB3 PRO A 982 36.418 30.515 -10.810 1.00 0.00 H ATOM 1248 N ILE A 983 34.560 31.180 -14.549 1.00 24.45 N ATOM 1249 CA ILE A 983 34.288 31.912 -15.769 1.00 24.17 C ATOM 1250 C ILE A 983 33.300 33.021 -15.481 1.00 24.93 C ATOM 1251 O ILE A 983 32.265 32.795 -14.850 1.00 23.52 O ATOM 1252 CB ILE A 983 33.709 30.990 -16.861 1.00 24.53 C ATOM 1253 CG1 ILE A 983 34.738 29.919 -17.223 1.00 25.94 C ATOM 1254 CG2 ILE A 983 33.328 31.809 -18.087 1.00 23.62 C ATOM 1255 CD1 ILE A 983 34.295 28.974 -18.303 1.00 29.23 C ATOM 1256 HA ILE A 983 35.229 32.326 -16.132 1.00 0.00 H ATOM 1257 HB ILE A 983 32.811 30.500 -16.485 1.00 0.00 H ATOM 1258 HG12 ILE A 983 35.647 30.418 -17.558 1.00 0.00 H ATOM 1259 HG13 ILE A 983 34.954 29.337 -16.327 1.00 0.00 H ATOM 1260 HD11 ILE A 983 33.393 28.454 -17.981 1.00 0.00 H ATOM 1261 HD12 ILE A 983 34.086 29.536 -19.213 1.00 0.00 H ATOM 1262 HD13 ILE A 983 35.085 28.248 -18.496 1.00 0.00 H ATOM 1263 HG21 ILE A 983 32.579 32.550 -17.809 1.00 0.00 H ATOM 1264 HG22 ILE A 983 34.213 32.313 -18.475 1.00 0.00 H ATOM 1265 HG23 ILE A 983 32.920 31.148 -18.852 1.00 0.00 H ATOM 1266 H ILE A 983 33.770 30.885 -13.941 1.00 0.00 H ATOM 1267 N GLN A 984 33.640 34.228 -15.921 1.00 24.23 N ATOM 1268 CA GLN A 984 32.773 35.376 -15.728 1.00 26.01 C ATOM 1269 C GLN A 984 31.517 35.167 -16.558 1.00 26.82 C ATOM 1270 O GLN A 984 31.591 34.826 -17.739 1.00 27.74 O ATOM 1271 CB GLN A 984 33.465 36.661 -16.176 1.00 27.24 C ATOM 1272 CG GLN A 984 32.571 37.896 -16.101 1.00 31.71 C ATOM 1273 CD GLN A 984 32.204 38.273 -14.672 1.00 33.36 C ATOM 1274 OE1 GLN A 984 33.047 38.747 -13.907 1.00 32.68 O ATOM 1275 NE2 GLN A 984 30.942 38.055 -14.307 1.00 32.45 N ATOM 1276 HA GLN A 984 32.529 35.470 -14.670 1.00 0.00 H ATOM 1277 HB2 GLN A 984 34.334 36.825 -15.538 1.00 0.00 H ATOM 1278 HB3 GLN A 984 33.792 36.535 -17.208 1.00 0.00 H ATOM 1279 HG2 GLN A 984 33.096 38.734 -16.559 1.00 0.00 H ATOM 1280 HG3 GLN A 984 31.654 37.697 -16.655 1.00 0.00 H ATOM 1281 HE22 GLN A 984 30.266 37.653 -14.987 1.00 0.00 H ATOM 1282 HE21 GLN A 984 30.632 38.287 -13.342 1.00 0.00 H ATOM 1283 H GLN A 984 34.547 34.353 -16.414 1.00 0.00 H ATOM 1284 N MET A 985 30.363 35.346 -15.932 1.00 25.87 N ATOM 1285 CA MET A 985 29.107 35.188 -16.640 1.00 25.65 C ATOM 1286 C MET A 985 28.177 36.328 -16.300 1.00 24.09 C ATOM 1287 O MET A 985 28.461 37.116 -15.401 1.00 22.86 O ATOM 1288 CB MET A 985 28.479 33.828 -16.330 1.00 26.35 C ATOM 1289 CG MET A 985 29.178 32.682 -17.079 1.00 28.66 C ATOM 1290 SD MET A 985 28.357 31.101 -16.884 1.00 33.89 S ATOM 1291 CE MET A 985 27.034 31.245 -18.082 1.00 33.09 C ATOM 1292 HA MET A 985 29.295 35.217 -17.713 1.00 0.00 H ATOM 1293 HB2 MET A 985 28.552 33.643 -15.258 1.00 0.00 H ATOM 1294 HB3 MET A 985 27.429 33.851 -16.623 1.00 0.00 H ATOM 1295 HG2 MET A 985 30.196 32.592 -16.701 1.00 0.00 H ATOM 1296 HG3 MET A 985 29.206 32.929 -18.140 1.00 0.00 H ATOM 1297 HE1 MET A 985 26.403 32.096 -17.824 1.00 0.00 H ATOM 1298 HE2 MET A 985 27.459 31.393 -19.075 1.00 0.00 H ATOM 1299 HE3 MET A 985 26.437 30.333 -18.074 1.00 0.00 H ATOM 1300 H MET A 985 30.358 35.602 -14.924 1.00 0.00 H ATOM 1301 N TYR A 986 27.065 36.406 -17.017 1.00 22.37 N ATOM 1302 CA TYR A 986 26.137 37.500 -16.838 1.00 21.97 C ATOM 1303 C TYR A 986 24.683 37.102 -16.618 1.00 22.75 C ATOM 1304 O TYR A 986 24.117 36.334 -17.387 1.00 21.87 O ATOM 1305 CB TYR A 986 26.245 38.422 -18.065 1.00 21.55 C ATOM 1306 CG TYR A 986 27.676 38.736 -18.434 1.00 21.11 C ATOM 1307 CD1 TYR A 986 28.413 37.887 -19.258 1.00 22.94 C ATOM 1308 CD2 TYR A 986 28.327 39.822 -17.863 1.00 22.17 C ATOM 1309 CE1 TYR A 986 29.768 38.111 -19.490 1.00 24.57 C ATOM 1310 CE2 TYR A 986 29.672 40.056 -18.081 1.00 23.93 C ATOM 1311 CZ TYR A 986 30.393 39.202 -18.889 1.00 25.59 C ATOM 1312 OH TYR A 986 31.739 39.436 -19.063 1.00 26.54 O ATOM 1313 HA TYR A 986 26.426 37.999 -15.913 1.00 0.00 H ATOM 1314 HB3 TYR A 986 25.728 39.356 -17.846 1.00 0.00 H ATOM 1315 HB2 TYR A 986 25.765 37.933 -18.913 1.00 0.00 H ATOM 1316 HD2 TYR A 986 27.764 40.506 -17.228 1.00 0.00 H ATOM 1317 HE2 TYR A 986 30.161 40.912 -17.616 1.00 0.00 H ATOM 1318 HE1 TYR A 986 30.334 37.439 -20.135 1.00 0.00 H ATOM 1319 HD1 TYR A 986 27.922 37.035 -19.728 1.00 0.00 H ATOM 1320 HH TYR A 986 31.868 40.332 -19.465 1.00 0.00 H ATOM 1321 H TYR A 986 26.857 35.668 -17.720 1.00 0.00 H ATOM 1322 N GLN A 987 24.074 37.624 -15.558 1.00 25.12 N ATOM 1323 CA GLN A 987 22.668 37.328 -15.333 1.00 26.50 C ATOM 1324 C GLN A 987 21.881 38.433 -16.034 1.00 24.83 C ATOM 1325 O GLN A 987 22.027 39.611 -15.709 1.00 24.39 O ATOM 1326 CB GLN A 987 22.316 37.313 -13.845 1.00 27.08 C ATOM 1327 CG GLN A 987 20.886 36.826 -13.615 1.00 31.45 C ATOM 1328 CD GLN A 987 20.475 36.780 -12.153 1.00 33.66 C ATOM 1329 OE1 GLN A 987 19.558 36.049 -11.784 1.00 37.90 O ATOM 1330 NE2 GLN A 987 21.137 37.567 -11.320 1.00 31.99 N ATOM 1331 HA GLN A 987 22.429 36.338 -15.721 1.00 0.00 H ATOM 1332 HB2 GLN A 987 23.005 36.649 -13.324 1.00 0.00 H ATOM 1333 HB3 GLN A 987 22.415 38.323 -13.447 1.00 0.00 H ATOM 1334 HG2 GLN A 987 20.207 37.497 -14.141 1.00 0.00 H ATOM 1335 HG3 GLN A 987 20.795 35.821 -14.028 1.00 0.00 H ATOM 1336 HE22 GLN A 987 21.907 38.170 -11.675 1.00 0.00 H ATOM 1337 HE21 GLN A 987 20.888 37.583 -10.310 1.00 0.00 H ATOM 1338 H GLN A 987 24.596 38.236 -14.899 1.00 0.00 H ATOM 1339 N VAL A 988 21.070 38.053 -17.014 1.00 24.56 N ATOM 1340 CA VAL A 988 20.273 39.027 -17.743 1.00 25.61 C ATOM 1341 C VAL A 988 18.797 38.768 -17.519 1.00 26.52 C ATOM 1342 O VAL A 988 18.389 37.641 -17.262 1.00 26.60 O ATOM 1343 CB VAL A 988 20.542 38.980 -19.261 1.00 24.51 C ATOM 1344 CG1 VAL A 988 22.006 39.314 -19.546 1.00 24.50 C ATOM 1345 CG2 VAL A 988 20.180 37.615 -19.806 1.00 22.55 C ATOM 1346 HA VAL A 988 20.557 40.009 -17.365 1.00 0.00 H ATOM 1347 HB VAL A 988 19.921 39.724 -19.760 1.00 0.00 H ATOM 1348 HG11 VAL A 988 22.228 40.314 -19.174 1.00 0.00 H ATOM 1349 HG12 VAL A 988 22.647 38.588 -19.046 1.00 0.00 H ATOM 1350 HG13 VAL A 988 22.183 39.277 -20.621 1.00 0.00 H ATOM 1351 HG21 VAL A 988 20.784 36.855 -19.309 1.00 0.00 H ATOM 1352 HG22 VAL A 988 19.124 37.420 -19.621 1.00 0.00 H ATOM 1353 HG23 VAL A 988 20.373 37.591 -20.878 1.00 0.00 H ATOM 1354 H VAL A 988 21.004 37.046 -17.264 1.00 0.00 H ATOM 1355 N GLU A 989 18.000 39.820 -17.630 1.00 27.33 N ATOM 1356 CA GLU A 989 16.560 39.706 -17.448 1.00 27.92 C ATOM 1357 C GLU A 989 15.829 40.230 -18.683 1.00 26.66 C ATOM 1358 O GLU A 989 16.149 41.297 -19.200 1.00 25.70 O ATOM 1359 CB GLU A 989 16.135 40.494 -16.212 1.00 28.98 C ATOM 1360 CG GLU A 989 14.648 40.439 -15.930 1.00 32.97 C ATOM 1361 CD GLU A 989 14.278 41.273 -14.728 1.00 35.39 C ATOM 1362 OE1 GLU A 989 14.863 41.041 -13.642 1.00 37.90 O ATOM 1363 OE2 GLU A 989 13.410 42.162 -14.868 1.00 37.49 O ATOM 1364 HA GLU A 989 16.300 38.656 -17.310 1.00 0.00 H ATOM 1365 HB2 GLU A 989 16.663 40.090 -15.349 1.00 0.00 H ATOM 1366 HB3 GLU A 989 16.419 41.537 -16.355 1.00 0.00 H ATOM 1367 HG2 GLU A 989 14.109 40.814 -16.800 1.00 0.00 H ATOM 1368 HG3 GLU A 989 14.361 39.404 -15.744 1.00 0.00 H ATOM 1369 H GLU A 989 18.412 40.749 -17.852 1.00 0.00 H ATOM 1370 N PHE A 990 14.841 39.474 -19.142 1.00 27.71 N ATOM 1371 CA PHE A 990 14.074 39.848 -20.318 1.00 28.65 C ATOM 1372 C PHE A 990 12.796 40.634 -19.973 1.00 31.12 C ATOM 1373 O PHE A 990 12.564 40.963 -18.807 1.00 31.12 O ATOM 1374 CB PHE A 990 13.756 38.588 -21.132 1.00 26.72 C ATOM 1375 CG PHE A 990 14.986 37.834 -21.584 1.00 27.55 C ATOM 1376 CD1 PHE A 990 15.627 36.939 -20.732 1.00 25.96 C ATOM 1377 CD2 PHE A 990 15.528 38.053 -22.850 1.00 26.54 C ATOM 1378 CE1 PHE A 990 16.786 36.274 -21.128 1.00 27.52 C ATOM 1379 CE2 PHE A 990 16.689 37.393 -23.256 1.00 28.58 C ATOM 1380 CZ PHE A 990 17.321 36.502 -22.392 1.00 28.66 C ATOM 1381 HA PHE A 990 14.682 40.526 -20.917 1.00 0.00 H ATOM 1382 HB2 PHE A 990 13.151 37.923 -20.516 1.00 0.00 H ATOM 1383 HB3 PHE A 990 13.188 38.882 -22.014 1.00 0.00 H ATOM 1384 HD2 PHE A 990 15.039 38.749 -23.532 1.00 0.00 H ATOM 1385 HE2 PHE A 990 17.101 37.575 -24.249 1.00 0.00 H ATOM 1386 HZ PHE A 990 18.229 35.986 -22.704 1.00 0.00 H ATOM 1387 HE1 PHE A 990 17.273 35.575 -20.448 1.00 0.00 H ATOM 1388 HD1 PHE A 990 15.216 36.755 -19.739 1.00 0.00 H ATOM 1389 H PHE A 990 14.609 38.589 -18.647 1.00 0.00 H ATOM 1390 N GLU A 991 11.992 40.946 -20.993 1.00 32.08 N ATOM 1391 CA GLU A 991 10.750 41.715 -20.841 1.00 34.25 C ATOM 1392 C GLU A 991 9.710 41.059 -19.961 1.00 34.43 C ATOM 1393 O GLU A 991 8.998 41.744 -19.230 1.00 36.17 O ATOM 1394 CB GLU A 991 10.078 41.949 -22.193 1.00 34.34 C ATOM 1395 CG GLU A 991 10.844 42.763 -23.167 1.00 37.20 C ATOM 1396 CD GLU A 991 10.280 42.609 -24.560 1.00 37.19 C ATOM 1397 OE1 GLU A 991 9.158 43.099 -24.803 1.00 36.93 O ATOM 1398 OE2 GLU A 991 10.953 41.980 -25.400 1.00 36.89 O ATOM 1399 HA GLU A 991 11.076 42.643 -20.372 1.00 0.00 H ATOM 1400 HB2 GLU A 991 9.891 40.975 -22.646 1.00 0.00 H ATOM 1401 HB3 GLU A 991 9.128 42.452 -22.011 1.00 0.00 H ATOM 1402 HG2 GLU A 991 10.792 43.812 -22.875 1.00 0.00 H ATOM 1403 HG3 GLU A 991 11.884 42.437 -23.165 1.00 0.00 H ATOM 1404 H GLU A 991 12.260 40.627 -21.946 1.00 0.00 H ATOM 1405 N ASP A 992 9.591 39.739 -20.075 1.00 34.22 N ATOM 1406 CA ASP A 992 8.614 38.982 -19.300 1.00 33.81 C ATOM 1407 C ASP A 992 9.047 38.779 -17.862 1.00 34.21 C ATOM 1408 O ASP A 992 8.327 38.170 -17.066 1.00 34.03 O ATOM 1409 CB ASP A 992 8.352 37.618 -19.956 1.00 34.04 C ATOM 1410 CG ASP A 992 9.631 36.841 -20.233 1.00 34.28 C ATOM 1411 OD1 ASP A 992 10.725 37.355 -19.924 1.00 34.28 O ATOM 1412 OD2 ASP A 992 9.540 35.717 -20.767 1.00 32.69 O ATOM 1413 HA ASP A 992 7.696 39.570 -19.289 1.00 0.00 H ATOM 1414 HB2 ASP A 992 7.722 37.027 -19.291 1.00 0.00 H ATOM 1415 HB3 ASP A 992 7.831 37.779 -20.900 1.00 0.00 H ATOM 1416 H ASP A 992 10.213 39.232 -20.736 1.00 0.00 H ATOM 1417 N GLY A 993 10.222 39.296 -17.526 1.00 33.76 N ATOM 1418 CA GLY A 993 10.721 39.136 -16.179 1.00 33.79 C ATOM 1419 C GLY A 993 11.606 37.913 -16.024 1.00 33.19 C ATOM 1420 O GLY A 993 12.322 37.797 -15.032 1.00 35.24 O ATOM 1421 HA3 GLY A 993 9.873 39.041 -15.501 1.00 0.00 H ATOM 1422 HA2 GLY A 993 11.299 40.021 -15.913 1.00 0.00 H ATOM 1423 H GLY A 993 10.783 39.816 -18.231 1.00 0.00 H ATOM 1424 N SER A 994 11.573 37.000 -16.991 1.00 32.22 N ATOM 1425 CA SER A 994 12.407 35.803 -16.908 1.00 31.01 C ATOM 1426 C SER A 994 13.867 36.236 -16.854 1.00 31.31 C ATOM 1427 O SER A 994 14.235 37.270 -17.415 1.00 31.00 O ATOM 1428 CB SER A 994 12.171 34.882 -18.118 1.00 31.34 C ATOM 1429 OG SER A 994 12.609 35.475 -19.331 1.00 30.83 O ATOM 1430 HA SER A 994 12.147 35.242 -16.010 1.00 0.00 H ATOM 1431 HB2 SER A 994 11.105 34.668 -18.195 1.00 0.00 H ATOM 1432 HB3 SER A 994 12.717 33.951 -17.964 1.00 0.00 H ATOM 1433 HG SER A 994 12.113 36.318 -19.482 1.00 0.00 H ATOM 1434 H SER A 994 10.949 37.139 -17.812 1.00 0.00 H ATOM 1435 N GLN A 995 14.694 35.454 -16.169 1.00 30.39 N ATOM 1436 CA GLN A 995 16.114 35.767 -16.045 1.00 29.36 C ATOM 1437 C GLN A 995 16.951 34.575 -16.457 1.00 28.95 C ATOM 1438 O GLN A 995 16.484 33.443 -16.431 1.00 29.16 O ATOM 1439 CB GLN A 995 16.454 36.168 -14.613 1.00 29.97 C ATOM 1440 CG GLN A 995 15.747 37.428 -14.163 1.00 33.41 C ATOM 1441 CD GLN A 995 16.117 37.822 -12.755 1.00 35.49 C ATOM 1442 OE1 GLN A 995 16.106 36.994 -11.856 1.00 39.50 O ATOM 1443 NE2 GLN A 995 16.439 39.089 -12.553 1.00 37.44 N ATOM 1444 HA GLN A 995 16.338 36.605 -16.705 1.00 0.00 H ATOM 1445 HB2 GLN A 995 16.168 35.353 -13.948 1.00 0.00 H ATOM 1446 HB3 GLN A 995 17.530 36.331 -14.545 1.00 0.00 H ATOM 1447 HG2 GLN A 995 16.017 38.241 -14.837 1.00 0.00 H ATOM 1448 HG3 GLN A 995 14.671 37.262 -14.209 1.00 0.00 H ATOM 1449 HE22 GLN A 995 16.435 39.760 -13.348 1.00 0.00 H ATOM 1450 HE21 GLN A 995 16.696 39.415 -11.599 1.00 0.00 H ATOM 1451 H GLN A 995 14.321 34.599 -15.710 1.00 0.00 H ATOM 1452 N LEU A 996 18.199 34.835 -16.829 1.00 28.86 N ATOM 1453 CA LEU A 996 19.080 33.770 -17.277 1.00 27.94 C ATOM 1454 C LEU A 996 20.539 34.153 -17.036 1.00 26.59 C ATOM 1455 O LEU A 996 20.891 35.327 -17.023 1.00 26.63 O ATOM 1456 CB LEU A 996 18.839 33.526 -18.770 1.00 28.41 C ATOM 1457 CG LEU A 996 19.312 32.241 -19.443 1.00 30.22 C ATOM 1458 CD1 LEU A 996 18.528 31.045 -18.905 1.00 29.63 C ATOM 1459 CD2 LEU A 996 19.095 32.364 -20.950 1.00 31.53 C ATOM 1460 HA LEU A 996 18.869 32.860 -16.716 1.00 0.00 H ATOM 1461 HB2 LEU A 996 17.761 33.577 -18.923 1.00 0.00 H ATOM 1462 HB3 LEU A 996 19.319 34.349 -19.300 1.00 0.00 H ATOM 1463 HG LEU A 996 20.370 32.088 -19.231 1.00 0.00 H ATOM 1464 HD21 LEU A 996 18.035 32.518 -21.152 1.00 0.00 H ATOM 1465 HD22 LEU A 996 19.665 33.212 -21.330 1.00 0.00 H ATOM 1466 HD23 LEU A 996 19.430 31.450 -21.440 1.00 0.00 H ATOM 1467 HD11 LEU A 996 18.684 30.964 -17.829 1.00 0.00 H ATOM 1468 HD12 LEU A 996 17.467 31.186 -19.110 1.00 0.00 H ATOM 1469 HD13 LEU A 996 18.876 30.135 -19.394 1.00 0.00 H ATOM 1470 H LEU A 996 18.550 35.813 -16.799 1.00 0.00 H ATOM 1471 N VAL A 997 21.380 33.154 -16.816 1.00 25.91 N ATOM 1472 CA VAL A 997 22.794 33.405 -16.610 1.00 25.41 C ATOM 1473 C VAL A 997 23.469 32.934 -17.890 1.00 26.05 C ATOM 1474 O VAL A 997 23.406 31.754 -18.238 1.00 23.56 O ATOM 1475 CB VAL A 997 23.334 32.628 -15.394 1.00 25.78 C ATOM 1476 CG1 VAL A 997 24.837 32.811 -15.295 1.00 27.59 C ATOM 1477 CG2 VAL A 997 22.661 33.133 -14.120 1.00 26.52 C ATOM 1478 HA VAL A 997 22.987 34.458 -16.403 1.00 0.00 H ATOM 1479 HB VAL A 997 23.113 31.568 -15.517 1.00 0.00 H ATOM 1480 HG11 VAL A 997 25.308 32.434 -16.203 1.00 0.00 H ATOM 1481 HG12 VAL A 997 25.066 33.870 -15.178 1.00 0.00 H ATOM 1482 HG13 VAL A 997 25.213 32.259 -14.433 1.00 0.00 H ATOM 1483 HG21 VAL A 997 22.874 34.195 -13.995 1.00 0.00 H ATOM 1484 HG22 VAL A 997 21.584 32.983 -14.196 1.00 0.00 H ATOM 1485 HG23 VAL A 997 23.047 32.580 -13.263 1.00 0.00 H ATOM 1486 H VAL A 997 21.023 32.178 -16.791 1.00 0.00 H ATOM 1487 N VAL A 998 24.097 33.867 -18.599 1.00 24.28 N ATOM 1488 CA VAL A 998 24.739 33.535 -19.858 1.00 25.25 C ATOM 1489 C VAL A 998 26.213 33.912 -19.939 1.00 25.47 C ATOM 1490 O VAL A 998 26.729 34.688 -19.130 1.00 23.92 O ATOM 1491 CB VAL A 998 24.005 34.211 -21.035 1.00 26.95 C ATOM 1492 CG1 VAL A 998 22.543 33.782 -21.052 1.00 27.68 C ATOM 1493 CG2 VAL A 998 24.117 35.722 -20.919 1.00 25.43 C ATOM 1494 HA VAL A 998 24.680 32.448 -19.919 1.00 0.00 H ATOM 1495 HB VAL A 998 24.469 33.900 -21.971 1.00 0.00 H ATOM 1496 HG11 VAL A 998 22.485 32.700 -21.166 1.00 0.00 H ATOM 1497 HG12 VAL A 998 22.068 34.076 -20.116 1.00 0.00 H ATOM 1498 HG13 VAL A 998 22.034 34.264 -21.886 1.00 0.00 H ATOM 1499 HG21 VAL A 998 23.667 36.047 -19.981 1.00 0.00 H ATOM 1500 HG22 VAL A 998 25.168 36.010 -20.939 1.00 0.00 H ATOM 1501 HG23 VAL A 998 23.596 36.189 -21.755 1.00 0.00 H ATOM 1502 H VAL A 998 24.129 34.845 -18.248 1.00 0.00 H ATOM 1503 N LYS A 999 26.887 33.348 -20.932 1.00 24.17 N ATOM 1504 CA LYS A 999 28.291 33.643 -21.142 1.00 24.58 C ATOM 1505 C LYS A 999 28.445 34.806 -22.106 1.00 25.18 C ATOM 1506 O LYS A 999 27.499 35.242 -22.762 1.00 22.16 O ATOM 1507 CB LYS A 999 29.038 32.425 -21.697 1.00 24.98 C ATOM 1508 CG LYS A 999 29.340 31.354 -20.669 1.00 26.95 C ATOM 1509 CD LYS A 999 30.140 30.217 -21.296 1.00 32.37 C ATOM 1510 CE LYS A 999 30.615 29.204 -20.254 1.00 30.42 C ATOM 1511 NZ LYS A 999 31.405 28.105 -20.878 1.00 33.04 N ATOM 1512 HA LYS A 999 28.721 33.906 -20.176 1.00 0.00 H ATOM 1513 HB2 LYS A 999 28.429 31.980 -22.484 1.00 0.00 H ATOM 1514 HB3 LYS A 999 29.982 32.768 -22.120 1.00 0.00 H ATOM 1515 HG2 LYS A 999 29.917 31.792 -19.855 1.00 0.00 H ATOM 1516 HG3 LYS A 999 28.403 30.959 -20.277 1.00 0.00 H ATOM 1517 HD2 LYS A 999 29.511 29.704 -22.024 1.00 0.00 H ATOM 1518 HD3 LYS A 999 31.010 30.636 -21.801 1.00 0.00 H ATOM 1519 HE2 LYS A 999 29.746 28.776 -19.754 1.00 0.00 H ATOM 1520 HE3 LYS A 999 31.238 29.716 -19.521 1.00 0.00 H ATOM 1521 HZ1 LYS A 999 30.815 27.608 -21.575 1.00 0.00 H ATOM 1522 HZ2 LYS A 999 32.240 28.506 -21.352 1.00 0.00 H ATOM 1523 HZ3 LYS A 999 31.710 27.437 -20.141 1.00 0.00 H ATOM 1524 H LYS A 999 26.402 32.685 -21.569 1.00 0.00 H ATOM 1525 N ARG A1000 29.672 35.288 -22.177 1.00 24.09 N ATOM 1526 CA ARG A1000 30.054 36.387 -23.029 1.00 26.11 C ATOM 1527 C ARG A1000 29.549 36.221 -24.463 1.00 25.35 C ATOM 1528 O ARG A1000 28.986 37.148 -25.040 1.00 23.82 O ATOM 1529 CB ARG A1000 31.577 36.472 -23.007 1.00 26.44 C ATOM 1530 CG ARG A1000 32.182 37.581 -23.776 1.00 28.12 C ATOM 1531 CD ARG A1000 33.652 37.652 -23.443 1.00 27.70 C ATOM 1532 NE ARG A1000 34.297 38.705 -24.198 1.00 29.76 N ATOM 1533 CZ ARG A1000 34.944 38.516 -25.337 1.00 29.32 C ATOM 1534 NH1 ARG A1000 35.045 37.303 -25.861 1.00 31.08 N ATOM 1535 NH2 ARG A1000 35.486 39.550 -25.950 1.00 32.45 N ATOM 1536 HA ARG A1000 29.600 37.305 -22.655 1.00 0.00 H ATOM 1537 HB2 ARG A1000 31.889 36.579 -21.968 1.00 0.00 H ATOM 1538 HB3 ARG A1000 31.968 35.537 -23.408 1.00 0.00 H ATOM 1539 HG2 ARG A1000 32.055 37.400 -24.843 1.00 0.00 H ATOM 1540 HG3 ARG A1000 31.699 38.521 -23.508 1.00 0.00 H ATOM 1541 HD2 ARG A1000 34.121 36.698 -23.686 1.00 0.00 H ATOM 1542 HD3 ARG A1000 33.769 37.852 -22.378 1.00 0.00 H ATOM 1543 HE ARG A1000 34.249 39.673 -23.821 1.00 0.00 H ATOM 1544 HH12 ARG A1000 35.555 37.164 -26.756 1.00 0.00 H ATOM 1545 HH11 ARG A1000 34.614 36.490 -25.377 1.00 0.00 H ATOM 1546 HH22 ARG A1000 35.997 39.414 -26.846 1.00 0.00 H ATOM 1547 HH21 ARG A1000 35.403 40.501 -25.538 1.00 0.00 H ATOM 1548 H ARG A1000 30.406 34.850 -21.584 1.00 0.00 H ATOM 1549 N ASP A1001 29.735 35.032 -25.026 1.00 25.37 N ATOM 1550 CA ASP A1001 29.344 34.778 -26.407 1.00 27.18 C ATOM 1551 C ASP A1001 27.854 34.833 -26.742 1.00 26.51 C ATOM 1552 O ASP A1001 27.489 34.867 -27.917 1.00 24.89 O ATOM 1553 CB ASP A1001 29.911 33.440 -26.878 1.00 29.05 C ATOM 1554 CG ASP A1001 29.943 33.337 -28.393 1.00 31.51 C ATOM 1555 OD1 ASP A1001 30.603 34.189 -29.025 1.00 30.80 O ATOM 1556 OD2 ASP A1001 29.308 32.420 -28.951 1.00 33.44 O ATOM 1557 HA ASP A1001 29.772 35.626 -26.942 1.00 0.00 H ATOM 1558 HB2 ASP A1001 30.926 33.334 -26.496 1.00 0.00 H ATOM 1559 HB3 ASP A1001 29.290 32.636 -26.483 1.00 0.00 H ATOM 1560 H ASP A1001 30.168 34.267 -24.470 1.00 0.00 H ATOM 1561 N ASP A1002 27.005 34.833 -25.720 1.00 25.87 N ATOM 1562 CA ASP A1002 25.563 34.895 -25.922 1.00 27.26 C ATOM 1563 C ASP A1002 25.052 36.308 -25.716 1.00 26.57 C ATOM 1564 O ASP A1002 23.846 36.545 -25.679 1.00 26.16 O ATOM 1565 CB ASP A1002 24.838 33.961 -24.955 1.00 29.47 C ATOM 1566 CG ASP A1002 24.873 32.518 -25.407 1.00 32.70 C ATOM 1567 OD1 ASP A1002 24.943 32.288 -26.629 1.00 33.80 O ATOM 1568 OD2 ASP A1002 24.813 31.616 -24.550 1.00 34.64 O ATOM 1569 HA ASP A1002 25.362 34.582 -26.946 1.00 0.00 H ATOM 1570 HB2 ASP A1002 25.313 34.033 -23.977 1.00 0.00 H ATOM 1571 HB3 ASP A1002 23.798 34.278 -24.876 1.00 0.00 H ATOM 1572 H ASP A1002 27.379 34.788 -24.751 1.00 0.00 H ATOM 1573 N VAL A1003 25.980 37.243 -25.587 1.00 25.29 N ATOM 1574 CA VAL A1003 25.633 38.636 -25.371 1.00 25.40 C ATOM 1575 C VAL A1003 26.141 39.514 -26.502 1.00 25.58 C ATOM 1576 O VAL A1003 27.297 39.408 -26.900 1.00 25.77 O ATOM 1577 CB VAL A1003 26.234 39.149 -24.051 1.00 23.52 C ATOM 1578 CG1 VAL A1003 25.952 40.632 -23.884 1.00 26.29 C ATOM 1579 CG2 VAL A1003 25.659 38.376 -22.890 1.00 25.81 C ATOM 1580 HA VAL A1003 24.545 38.690 -25.331 1.00 0.00 H ATOM 1581 HB VAL A1003 27.314 39.002 -24.075 1.00 0.00 H ATOM 1582 HG11 VAL A1003 26.396 41.181 -24.715 1.00 0.00 H ATOM 1583 HG12 VAL A1003 24.875 40.797 -23.873 1.00 0.00 H ATOM 1584 HG13 VAL A1003 26.384 40.979 -22.945 1.00 0.00 H ATOM 1585 HG21 VAL A1003 24.577 38.507 -22.868 1.00 0.00 H ATOM 1586 HG22 VAL A1003 25.896 37.318 -23.006 1.00 0.00 H ATOM 1587 HG23 VAL A1003 26.090 38.746 -21.960 1.00 0.00 H ATOM 1588 H VAL A1003 26.983 36.973 -25.642 1.00 0.00 H ATOM 1589 N TYR A1004 25.262 40.365 -27.022 1.00 24.64 N ATOM 1590 CA TYR A1004 25.615 41.306 -28.078 1.00 24.37 C ATOM 1591 C TYR A1004 25.368 42.696 -27.518 1.00 22.79 C ATOM 1592 O TYR A1004 24.250 43.023 -27.116 1.00 20.76 O ATOM 1593 CB TYR A1004 24.762 41.086 -29.335 1.00 25.62 C ATOM 1594 CG TYR A1004 25.213 39.917 -30.181 1.00 26.76 C ATOM 1595 CD1 TYR A1004 24.848 38.610 -29.857 1.00 26.82 C ATOM 1596 CD2 TYR A1004 26.041 40.116 -31.286 1.00 28.20 C ATOM 1597 CE1 TYR A1004 25.299 37.529 -30.606 1.00 27.38 C ATOM 1598 CE2 TYR A1004 26.498 39.039 -32.049 1.00 29.03 C ATOM 1599 CZ TYR A1004 26.123 37.749 -31.699 1.00 28.83 C ATOM 1600 OH TYR A1004 26.579 36.681 -32.440 1.00 29.61 O ATOM 1601 HA TYR A1004 26.655 41.169 -28.375 1.00 0.00 H ATOM 1602 HB3 TYR A1004 24.807 41.989 -29.944 1.00 0.00 H ATOM 1603 HB2 TYR A1004 23.732 40.909 -29.025 1.00 0.00 H ATOM 1604 HD2 TYR A1004 26.336 41.129 -31.559 1.00 0.00 H ATOM 1605 HE2 TYR A1004 27.143 39.210 -32.911 1.00 0.00 H ATOM 1606 HE1 TYR A1004 25.006 36.514 -30.335 1.00 0.00 H ATOM 1607 HD1 TYR A1004 24.197 38.433 -29.001 1.00 0.00 H ATOM 1608 HH TYR A1004 26.221 35.840 -32.059 1.00 0.00 H ATOM 1609 H TYR A1004 24.286 40.359 -26.662 1.00 0.00 H ATOM 1610 N THR A1005 26.421 43.503 -27.483 1.00 21.59 N ATOM 1611 CA THR A1005 26.344 44.857 -26.951 1.00 22.82 C ATOM 1612 C THR A1005 25.916 45.909 -27.985 1.00 23.87 C ATOM 1613 O THR A1005 25.996 45.683 -29.193 1.00 21.87 O ATOM 1614 CB THR A1005 27.696 45.275 -26.340 1.00 22.19 C ATOM 1615 OG1 THR A1005 28.726 45.143 -27.324 1.00 22.96 O ATOM 1616 CG2 THR A1005 28.035 44.392 -25.143 1.00 21.01 C ATOM 1617 HA THR A1005 25.568 44.825 -26.186 1.00 0.00 H ATOM 1618 HB THR A1005 27.624 46.312 -26.010 1.00 0.00 H ATOM 1619 HG1 THR A1005 29.594 45.412 -26.930 1.00 0.00 H ATOM 1620 HG23 THR A1005 27.254 44.488 -24.389 1.00 0.00 H ATOM 1621 HG21 THR A1005 28.103 43.353 -25.467 1.00 0.00 H ATOM 1622 HG22 THR A1005 28.990 44.706 -24.721 1.00 0.00 H ATOM 1623 H THR A1005 27.332 43.157 -27.848 1.00 0.00 H ATOM 1624 N LEU A1006 25.457 47.052 -27.481 1.00 25.25 N ATOM 1625 CA LEU A1006 24.997 48.173 -28.299 1.00 28.90 C ATOM 1626 C LEU A1006 26.040 49.284 -28.236 1.00 30.18 C ATOM 1627 O LEU A1006 26.873 49.296 -27.331 1.00 27.44 O ATOM 1628 CB LEU A1006 23.657 48.687 -27.771 1.00 26.89 C ATOM 1629 CG LEU A1006 22.569 47.636 -27.552 1.00 28.66 C ATOM 1630 CD1 LEU A1006 21.318 48.300 -26.971 1.00 29.79 C ATOM 1631 CD2 LEU A1006 22.254 46.944 -28.865 1.00 29.02 C ATOM 1632 HA LEU A1006 24.864 47.848 -29.331 1.00 0.00 H ATOM 1633 HB2 LEU A1006 23.842 49.178 -26.816 1.00 0.00 H ATOM 1634 HB3 LEU A1006 23.276 49.417 -28.485 1.00 0.00 H ATOM 1635 HG LEU A1006 22.922 46.887 -26.843 1.00 0.00 H ATOM 1636 HD21 LEU A1006 21.905 47.681 -29.588 1.00 0.00 H ATOM 1637 HD22 LEU A1006 23.154 46.460 -29.244 1.00 0.00 H ATOM 1638 HD23 LEU A1006 21.478 46.196 -28.703 1.00 0.00 H ATOM 1639 HD11 LEU A1006 21.566 48.768 -26.018 1.00 0.00 H ATOM 1640 HD12 LEU A1006 20.954 49.057 -27.665 1.00 0.00 H ATOM 1641 HD13 LEU A1006 20.546 47.546 -26.817 1.00 0.00 H ATOM 1642 H LEU A1006 25.424 47.154 -26.447 1.00 0.00 H ATOM 1643 N ASP A1007 25.996 50.220 -29.184 1.00 35.03 N ATOM 1644 CA ASP A1007 26.986 51.302 -29.213 1.00 39.10 C ATOM 1645 C ASP A1007 26.805 52.323 -28.095 1.00 41.79 C ATOM 1646 O ASP A1007 27.757 53.002 -27.703 1.00 42.71 O ATOM 1647 CB ASP A1007 26.994 52.019 -30.581 1.00 41.08 C ATOM 1648 CG ASP A1007 27.651 51.178 -31.696 1.00 42.52 C ATOM 1649 OD1 ASP A1007 28.734 50.601 -31.464 1.00 39.42 O ATOM 1650 OD2 ASP A1007 27.088 51.102 -32.815 1.00 44.44 O ATOM 1651 HA ASP A1007 27.949 50.818 -29.051 1.00 0.00 H ATOM 1652 HB2 ASP A1007 25.964 52.234 -30.868 1.00 0.00 H ATOM 1653 HB3 ASP A1007 27.544 52.955 -30.480 1.00 0.00 H ATOM 1654 H ASP A1007 25.252 50.183 -29.910 1.00 0.00 H ATOM 1655 N GLU A1008 25.591 52.429 -27.573 1.00 45.53 N ATOM 1656 CA GLU A1008 25.307 53.369 -26.487 1.00 50.32 C ATOM 1657 C GLU A1008 24.493 52.710 -25.387 1.00 51.30 C ATOM 1658 O GLU A1008 24.361 51.468 -25.431 1.00 51.91 O ATOM 1659 CB GLU A1008 24.559 54.611 -27.013 1.00 51.56 C ATOM 1660 CG GLU A1008 25.489 55.726 -27.458 1.00 53.04 C ATOM 1661 CD GLU A1008 24.810 56.781 -28.308 1.00 55.14 C ATOM 1662 OE1 GLU A1008 24.020 57.597 -27.766 1.00 54.01 O ATOM 1663 OE2 GLU A1008 25.078 56.789 -29.536 1.00 55.92 O ATOM 1664 HA GLU A1008 26.265 53.682 -26.072 1.00 0.00 H ATOM 1665 HB2 GLU A1008 23.945 54.312 -27.863 1.00 0.00 H ATOM 1666 HB3 GLU A1008 23.917 54.991 -26.218 1.00 0.00 H ATOM 1667 HG2 GLU A1008 25.897 56.209 -26.570 1.00 0.00 H ATOM 1668 HG3 GLU A1008 26.301 55.287 -28.037 1.00 0.00 H ATOM 1669 H GLU A1008 24.824 51.832 -27.943 1.00 0.00 H TER 1670 GLU A1008 HETATM 1671 O HOH 1 30.076 46.739 -23.300 1.00 30.31 O HETATM 1672 O HOH 2 25.279 47.493 -24.808 1.00 18.24 O HETATM 1673 O HOH 3 26.960 43.077 -10.987 1.00 35.82 O HETATM 1674 O HOH 4 14.785 50.351 -24.940 1.00 37.61 O HETATM 1675 O HOH 5 9.269 38.022 -24.109 1.00 42.13 O HETATM 1676 O HOH 6 13.162 40.710 -23.504 1.00 23.07 O HETATM 1677 O HOH 7 28.988 35.202 -7.996 1.00 32.44 O HETATM 1678 O HOH 8 31.396 38.195 -10.943 1.00 37.23 O HETATM 1679 O HOH 9 31.697 30.266 -8.895 1.00 43.48 O HETATM 1680 O HOH 10 28.140 9.946 -22.845 1.00 39.31 O HETATM 1681 O HOH 11 34.004 7.918 -22.725 1.00 32.71 O HETATM 1682 O HOH 12 26.360 27.601 -17.461 1.00 39.17 O HETATM 1683 O HOH 13 28.006 25.662 -8.016 1.00 28.77 O HETATM 1684 O HOH 14 33.727 12.147 -5.258 1.00 32.52 O HETATM 1685 O HOH 15 31.658 33.070 -24.045 1.00 23.94 O HETATM 1686 O HOH 16 31.722 34.969 -20.414 1.00 24.08 O HETATM 1687 O HOH 17 10.861 35.962 -36.493 1.00 35.96 O HETATM 1688 O HOH 18 36.786 43.395 -24.173 1.00 25.50 O HETATM 1689 O HOH 19 33.316 49.142 -21.611 1.00 26.15 O HETATM 1690 O HOH 20 37.965 43.540 -19.270 1.00 35.29 O HETATM 1691 O HOH 21 36.063 42.593 -20.487 1.00 45.38 O HETATM 1692 O HOH 22 31.805 49.050 -19.373 1.00 38.24 O HETATM 1693 O HOH 23 37.855 46.034 -18.929 1.00 37.99 O HETATM 1694 O HOH 24 32.936 42.015 -19.354 1.00 29.99 O HETATM 1695 O HOH 25 34.596 40.806 -20.809 1.00 37.81 O HETATM 1696 O HOH 26 32.139 44.718 -15.773 1.00 33.58 O HETATM 1697 O HOH 27 28.582 45.390 -13.106 1.00 37.90 O HETATM 1698 O HOH 28 25.646 46.932 -8.772 1.00 39.90 O HETATM 1699 O HOH 29 16.647 46.847 -22.219 1.00 33.29 O HETATM 1700 O HOH 30 23.348 50.295 -21.662 1.00 30.29 O HETATM 1701 O HOH 31 25.724 31.603 -22.250 1.00 29.44 O HETATM 1702 O HOH 32 19.245 33.502 -13.482 1.00 34.64 O HETATM 1703 O HOH 33 19.290 35.546 -8.670 1.00 37.79 O HETATM 1704 O HOH 34 27.860 28.083 -19.751 1.00 42.78 O HETATM 1705 O HOH 35 31.031 30.686 -25.118 1.00 40.03 O HETATM 1706 O HOH 36 24.999 28.900 -25.683 1.00 48.56 O HETATM 1707 O HOH 37 34.557 25.075 -6.072 1.00 35.63 O HETATM 1708 O HOH 38 33.152 28.726 -5.379 1.00 40.99 O HETATM 1709 O HOH 39 37.482 26.074 -19.070 1.00 41.93 O HETATM 1710 O HOH 40 42.122 17.061 -18.620 1.00 30.77 O HETATM 1711 O HOH 41 44.510 12.142 -14.345 1.00 42.80 O HETATM 1712 O HOH 42 28.304 18.202 -5.131 1.00 35.39 O HETATM 1713 O HOH 43 27.265 22.391 -4.494 1.00 31.99 O HETATM 1714 O HOH 44 33.480 19.750 -4.347 1.00 48.49 O HETATM 1715 O HOH 45 25.926 4.350 -11.323 1.00 24.95 O HETATM 1716 O HOH 46 21.902 5.807 -11.282 1.00 20.41 O HETATM 1717 O HOH 47 30.558 2.388 -15.313 1.00 38.82 O HETATM 1718 O HOH 48 28.431 3.077 -15.577 1.00 39.29 O HETATM 1719 O HOH 49 30.275 4.293 -8.512 1.00 36.70 O HETATM 1720 O HOH 50 25.498 4.316 -8.599 1.00 31.64 O HETATM 1721 O HOH 51 26.354 14.562 -21.891 1.00 41.00 O HETATM 1722 O HOH 52 21.221 5.644 -17.054 1.00 31.26 O HETATM 1723 O HOH 53 24.968 6.931 -5.053 1.00 36.03 O HETATM 1724 O HOH 54 27.047 5.820 -6.280 1.00 49.72 O HETATM 1725 O HOH 55 5.217 43.223 -16.346 1.00 40.00 O HETATM 1726 O HOH 56 11.447 42.918 -16.545 1.00 39.16 O HETATM 1727 O HOH 57 30.054 40.047 -25.890 1.00 33.25 O HETATM 1728 O HOH 58 31.299 42.167 -25.638 1.00 44.14 O HETATM 1729 O HOH 59 32.264 38.810 -26.847 1.00 42.69 O HETATM 1730 O HOH 60 26.201 34.426 -31.412 1.00 34.11 O HETATM 1731 O HOH 61 27.718 55.046 -26.303 1.00 42.88 O HETATM 1732 O HOH 62 38.972 43.792 -16.673 1.00 40.67 O HETATM 1733 O HOH 63 31.119 45.629 -26.019 1.00 42.17 O HETATM 1734 O HOH 64 32.210 44.064 -24.134 1.00 46.63 O HETATM 1735 O HOH 65 34.037 41.988 -23.896 1.00 53.01 O HETATM 1736 O HOH 66 20.922 31.231 -24.034 1.00 39.42 O HETATM 1737 O HOH 67 18.619 29.029 -25.313 1.00 44.15 O HETATM 1738 O HOH 68 16.629 41.657 -10.699 1.00 42.13 O HETATM 1739 O HOH 69 14.826 31.965 -17.951 1.00 24.31 O HETATM 1740 O HOH 70 14.869 33.283 -20.148 1.00 34.04 O HETATM 1741 O HOH 71 13.154 42.972 -26.475 1.00 26.19 O HETATM 1742 O HOH 72 19.738 52.330 -26.006 1.00 39.56 O HETATM 1743 O HOH 73 29.953 26.791 -9.772 1.00 38.60 O HETATM 1744 O HOH 74 42.662 20.788 -22.948 1.00 41.80 O HETATM 1745 O HOH 75 33.994 4.134 -13.151 1.00 34.00 O HETATM 1746 O HOH 76 33.758 4.503 -9.668 1.00 38.35 O HETATM 1747 O HOH 77 37.593 5.675 -10.022 1.00 40.94 O HETATM 1748 O HOH 78 31.444 23.931 -22.606 1.00 43.10 O HETATM 1749 O HOH 79 47.786 21.769 -7.809 1.00 37.02 O HETATM 1750 O HOH 80 46.043 22.303 -10.484 1.00 40.76 O HETATM 1751 O HOH 81 44.619 12.747 -4.095 1.00 47.56 O HETATM 1752 O HOH 82 27.172 3.438 -18.821 1.00 31.82 O HETATM 1753 O HOH 83 28.116 0.465 -11.307 1.00 46.48 O HETATM 1754 O HOH 84 38.625 28.492 -18.534 1.00 31.74 O HETATM 1755 O HOH 85 8.768 36.756 -26.017 1.00 36.95 O HETATM 1756 O HOH 86 6.325 42.860 -29.139 1.00 40.52 O HETATM 1757 O HOH 87 42.638 10.154 -4.554 1.00 39.31 O HETATM 1758 O HOH 88 35.360 14.388 -4.075 1.00 39.68 O HETATM 1759 O HOH 89 7.679 40.053 -26.409 1.00 37.81 O HETATM 1760 O HOH 90 35.603 26.531 6.485 1.00 43.69 O HETATM 1761 O HOH 91 17.768 48.858 -19.999 1.00 45.84 O HETATM 1762 O HOH 92 28.576 40.745 -9.140 1.00 46.45 O HETATM 1763 O HOH 93 26.575 38.173 -7.919 1.00 43.03 O HETATM 1764 O HOH 94 36.400 29.364 -8.749 1.00 33.54 O HETATM 1765 O HOH 95 24.509 11.010 -21.252 1.00 35.93 O HETATM 1766 O HOH 96 28.054 1.938 -13.485 1.00 35.88 O HETATM 1767 O HOH 97 34.446 18.912 -21.697 1.00 28.43 O HETATM 1768 O HOH 98 25.567 17.857 -21.545 1.00 35.63 O HETATM 1769 O HOH 99 29.608 14.496 -24.219 1.00 41.74 O HETATM 1770 O HOH 100 33.162 18.720 -25.032 1.00 40.68 O HETATM 1771 O HOH 101 24.004 16.002 -22.252 1.00 37.32 O HETATM 1772 O HOH 102 24.455 19.676 -20.386 1.00 40.04 O HETATM 1773 O HOH 103 44.024 10.825 -24.851 1.00 39.24 O HETATM 1774 N ALA A 104 27.983 22.639 -19.180 1.00 0.24 N HETATM 1775 CA ALA A 104 27.903 22.070 -20.566 1.00 0.06 C HETATM 1776 CB ALA A 104 29.042 22.612 -21.422 1.00 -0.00 C HETATM 1777 H5 ALA A 104 28.973 22.188 -22.435 1.00 0.03 H HETATM 1778 H6 ALA A 104 30.005 22.331 -20.972 1.00 0.03 H HETATM 1779 H7 ALA A 104 28.970 23.708 -21.477 1.00 0.03 H HETATM 1780 C ALA A 104 27.958 20.547 -20.529 1.00 0.23 C HETATM 1781 O ALA A 104 27.488 19.879 -21.449 1.00 -0.39 O HETATM 1782 N ALA A 104 28.549 20.006 -19.468 1.00 -0.26 N HETATM 1783 CA ALA A 104 28.654 18.559 -19.292 1.00 0.13 C HETATM 1784 CB ALA A 104 27.397 18.031 -18.597 1.00 -0.01 C HETATM 1785 CG ALA A 104 27.254 18.479 -17.156 1.00 -0.02 C HETATM 1786 CD ALA A 104 25.804 18.749 -16.802 1.00 0.06 C HETATM 1787 NE ALA A 104 25.621 18.932 -15.369 1.00 -0.27 N HETATM 1788 CZ ALA A 104 24.556 19.505 -14.818 1.00 0.29 C HETATM 1789 NH2 ALA A 104 24.472 19.618 -13.498 1.00 -0.28 N HETATM 1790 H19 ALA A 104 25.235 19.267 -12.902 1.00 0.26 H HETATM 1791 H20 ALA A 104 23.644 20.057 -13.070 1.00 0.26 H HETATM 1792 NH1 ALA A 104 23.570 19.960 -15.581 1.00 -0.28 N HETATM 1793 H17 ALA A 104 22.747 20.403 -15.149 1.00 0.26 H HETATM 1794 H18 ALA A 104 23.628 19.870 -16.605 1.00 0.26 H HETATM 1795 H16 ALA A 104 26.365 18.596 -14.742 1.00 0.26 H HETATM 1796 H14 ALA A 104 25.192 17.897 -17.133 1.00 0.07 H HETATM 1797 H15 ALA A 104 25.474 19.661 -17.322 1.00 0.07 H HETATM 1798 H12 ALA A 104 27.836 19.401 -17.008 1.00 0.03 H HETATM 1799 H13 ALA A 104 27.643 17.690 -16.495 1.00 0.03 H HETATM 1800 H10 ALA A 104 27.427 16.932 -18.616 1.00 0.03 H HETATM 1801 H11 ALA A 104 26.518 18.383 -19.157 1.00 0.03 H HETATM 1802 C ALA A 104 28.891 17.768 -20.582 1.00 0.20 C HETATM 1803 O ALA A 104 28.005 17.055 -21.062 1.00 -0.39 O HETATM 1804 N ALA A 104 30.089 17.905 -21.137 1.00 -0.26 N HETATM 1805 CA ALA A 104 30.469 17.183 -22.345 1.00 0.16 C HETATM 1806 CB ALA A 104 30.648 18.126 -23.561 1.00 0.09 C HETATM 1807 CG2 ALA A 104 29.311 18.774 -23.940 1.00 -0.03 C HETATM 1808 H25 ALA A 104 29.458 19.439 -24.804 1.00 0.03 H HETATM 1809 H26 ALA A 104 28.932 19.358 -23.088 1.00 0.03 H HETATM 1810 H27 ALA A 104 28.584 17.990 -24.200 1.00 0.03 H HETATM 1811 OG1 ALA A 104 31.601 19.145 -23.250 1.00 -0.39 O HETATM 1812 H24 ALA A 104 32.429 18.742 -23.015 1.00 0.21 H HETATM 1813 H23 ALA A 104 31.015 17.539 -24.416 1.00 0.06 H HETATM 1814 C ALA A 104 31.780 16.463 -22.047 1.00 0.21 C HETATM 1815 O ALA A 104 32.628 16.966 -21.298 1.00 -0.39 O HETATM 1816 N ALA A 104 31.940 15.291 -22.647 1.00 -0.26 N HETATM 1817 CA ALA A 104 33.114 14.459 -22.427 1.00 0.13 C HETATM 1818 CB ALA A 104 32.645 13.163 -21.756 1.00 -0.01 C HETATM 1819 CG ALA A 104 33.689 12.113 -21.529 1.00 -0.04 C HETATM 1820 CD ALA A 104 33.037 10.732 -21.352 1.00 -0.01 C HETATM 1821 CE ALA A 104 32.092 10.696 -20.162 1.00 -0.03 C HETATM 1822 NZ ALA A 104 31.828 9.320 -19.540 1.00 0.24 N HETATM 1823 CM1 ALA A 104 31.228 8.441 -20.604 1.00 -0.04 C HETATM 1824 H38 ALA A 104 31.027 7.444 -20.186 1.00 0.08 H HETATM 1825 H39 ALA A 104 31.931 8.351 -21.445 1.00 0.08 H HETATM 1826 H40 ALA A 104 30.287 8.886 -20.959 1.00 0.08 H HETATM 1827 CM2 ALA A 104 33.032 8.605 -19.035 1.00 -0.04 C HETATM 1828 H41 ALA A 104 33.513 9.207 -18.250 1.00 0.08 H HETATM 1829 H42 ALA A 104 33.740 8.449 -19.863 1.00 0.08 H HETATM 1830 H43 ALA A 104 32.733 7.631 -18.619 1.00 0.08 H HETATM 1831 CM3 ALA A 104 30.876 9.565 -18.423 1.00 -0.04 C HETATM 1832 H44 ALA A 104 29.990 10.093 -18.805 1.00 0.08 H HETATM 1833 H45 ALA A 104 31.365 10.179 -17.652 1.00 0.08 H HETATM 1834 H46 ALA A 104 30.569 8.604 -17.985 1.00 0.08 H HETATM 1835 H36 ALA A 104 31.125 11.105 -20.490 1.00 0.08 H HETATM 1836 H37 ALA A 104 32.516 11.341 -19.378 1.00 0.08 H HETATM 1837 H34 ALA A 104 33.828 9.983 -21.200 1.00 0.03 H HETATM 1838 H35 ALA A 104 32.471 10.488 -22.263 1.00 0.03 H HETATM 1839 H32 ALA A 104 34.261 12.362 -20.623 1.00 0.03 H HETATM 1840 H33 ALA A 104 34.367 12.084 -22.395 1.00 0.03 H HETATM 1841 H30 ALA A 104 31.861 12.723 -22.390 1.00 0.03 H HETATM 1842 H31 ALA A 104 32.219 13.428 -20.777 1.00 0.03 H HETATM 1843 C ALA A 104 33.804 14.153 -23.755 1.00 0.20 C HETATM 1844 O ALA A 104 33.185 14.264 -24.811 1.00 -0.39 O HETATM 1845 N ALA A 104 35.079 13.775 -23.703 1.00 -0.26 N HETATM 1846 CA ALA A 104 35.825 13.434 -24.915 1.00 0.13 C HETATM 1847 CB ALA A 104 35.931 14.636 -25.868 1.00 0.00 C HETATM 1848 CG ALA A 104 36.857 15.756 -25.392 1.00 0.04 C HETATM 1849 CD ALA A 104 36.180 16.699 -24.412 1.00 0.17 C HETATM 1850 NE2 ALA A 104 36.808 16.919 -23.259 1.00 -0.30 N HETATM 1851 H53 ALA A 104 36.405 17.532 -22.579 1.00 0.18 H HETATM 1852 H54 ALA A 104 37.683 16.472 -23.073 1.00 0.18 H HETATM 1853 OE1 ALA A 104 35.106 17.229 -24.694 1.00 -0.40 O HETATM 1854 H51 ALA A 104 37.187 16.335 -26.267 1.00 0.05 H HETATM 1855 H52 ALA A 104 37.731 15.305 -24.900 1.00 0.05 H HETATM 1856 H49 ALA A 104 34.924 15.058 -25.999 1.00 0.03 H HETATM 1857 H50 ALA A 104 36.305 14.272 -26.837 1.00 0.03 H HETATM 1858 C ALA A 104 37.229 12.920 -24.616 1.00 0.20 C HETATM 1859 O ALA A 104 37.776 13.140 -23.529 1.00 -0.39 O HETATM 1860 N ALA A 104 37.805 12.240 -25.602 1.00 -0.26 N HETATM 1861 CA ALA A 104 39.140 11.674 -25.486 1.00 0.16 C HETATM 1862 CB ALA A 104 39.182 10.191 -25.920 1.00 0.09 C HETATM 1863 CG2 ALA A 104 40.575 9.619 -25.698 1.00 -0.03 C HETATM 1864 H59 ALA A 104 40.592 8.564 -26.010 1.00 0.03 H HETATM 1865 H60 ALA A 104 40.835 9.690 -24.631 1.00 0.03 H HETATM 1866 H61 ALA A 104 41.304 10.189 -26.292 1.00 0.03 H HETATM 1867 OG1 ALA A 104 38.231 9.427 -25.164 1.00 -0.39 O HETATM 1868 H58 ALA A 104 37.361 9.782 -25.301 1.00 0.21 H HETATM 1869 H57 ALA A 104 38.931 10.124 -26.989 1.00 0.06 H HETATM 1870 C ALA A 104 40.053 12.437 -26.421 1.00 0.21 C HETATM 1871 O ALA A 104 40.093 12.161 -27.616 1.00 -0.39 O HETATM 1872 N ALA A 104 40.780 13.404 -25.884 1.00 -0.26 N HETATM 1873 CA ALA A 104 41.693 14.176 -26.710 1.00 0.14 C HETATM 1874 CB ALA A 104 41.302 15.661 -26.682 1.00 -0.02 C HETATM 1875 H64 ALA A 104 41.999 16.235 -27.310 1.00 0.03 H HETATM 1876 H65 ALA A 104 41.348 16.033 -25.648 1.00 0.03 H HETATM 1877 H66 ALA A 104 40.279 15.778 -27.068 1.00 0.03 H HETATM 1878 C ALA A 104 43.096 13.983 -26.155 1.00 0.26 C HETATM 1879 O ALA A 104 43.880 13.217 -26.771 1.00 -0.37 O HETATM 1880 O1 ALA A 104 43.483 14.608 -25.047 1.00 -0.29 O HETATM 1881 H67 ALA A 104 43.728 13.966 -24.391 1.00 0.25 H HETATM 1882 H63 ALA A 104 41.653 13.812 -27.747 1.00 0.08 H HETATM 1883 H62 ALA A 104 40.701 13.604 -24.907 1.00 0.19 H HETATM 1884 H56 ALA A 104 39.489 11.766 -24.447 1.00 0.08 H HETATM 1885 H55 ALA A 104 37.301 12.113 -26.456 1.00 0.19 H HETATM 1886 H48 ALA A 104 35.272 12.634 -25.429 1.00 0.08 H HETATM 1887 H47 ALA A 104 35.538 13.723 -22.816 1.00 0.19 H HETATM 1888 H29 ALA A 104 33.821 14.983 -21.766 1.00 0.08 H HETATM 1889 H28 ALA A 104 31.230 14.968 -23.272 1.00 0.19 H HETATM 1890 H22 ALA A 104 29.689 16.445 -22.585 1.00 0.08 H HETATM 1891 H21 ALA A 104 30.751 18.523 -20.713 1.00 0.19 H HETATM 1892 H9 ALA A 104 29.515 18.374 -18.634 1.00 0.08 H HETATM 1893 H8 ALA A 104 28.934 20.608 -18.768 1.00 0.19 H HETATM 1894 H4 ALA A 104 26.947 22.376 -21.016 1.00 0.11 H HETATM 1895 H1 ALA A 104 27.945 23.645 -19.227 1.00 0.20 H HETATM 1896 H2 ALA A 104 28.849 22.355 -18.750 1.00 0.20 H HETATM 1897 H3 ALA A 104 27.208 22.299 -18.632 1.00 0.20 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 838 839 844 845 846 CONECT 844 838 CONECT 845 838 CONECT 846 838 CONECT 1774 1775 1895 1896 1897 CONECT 1775 1774 1776 1780 1894 CONECT 1776 1775 1777 1778 1779 CONECT 1777 1776 CONECT 1778 1776 CONECT 1779 1776 CONECT 1780 1775 1781 1782 CONECT 1781 1780 CONECT 1782 1780 1783 1893 CONECT 1783 1782 1784 1802 1892 CONECT 1784 1783 1785 1800 1801 CONECT 1785 1784 1786 1798 1799 CONECT 1786 1785 1787 1796 1797 CONECT 1787 1786 1788 1795 CONECT 1788 1787 1789 1792 CONECT 1789 1788 1790 1791 CONECT 1790 1789 CONECT 1791 1789 CONECT 1792 1788 1793 1794 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1787 CONECT 1796 1786 CONECT 1797 1786 CONECT 1798 1785 CONECT 1799 1785 CONECT 1800 1784 CONECT 1801 1784 CONECT 1802 1783 1803 1804 CONECT 1803 1802 CONECT 1804 1802 1805 1891 CONECT 1805 1804 1806 1814 1890 CONECT 1806 1805 1807 1811 1813 CONECT 1807 1806 1808 1809 1810 CONECT 1808 1807 CONECT 1809 1807 CONECT 1810 1807 CONECT 1811 1806 1812 CONECT 1812 1811 CONECT 1813 1806 CONECT 1814 1805 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 1889 CONECT 1817 1816 1818 1843 1888 CONECT 1818 1817 1819 1841 1842 CONECT 1819 1818 1820 1839 1840 CONECT 1820 1819 1821 1837 1838 CONECT 1821 1820 1822 1835 1836 CONECT 1822 1821 1823 1827 1831 CONECT 1823 1822 1824 1825 1826 CONECT 1824 1823 CONECT 1825 1823 CONECT 1826 1823 CONECT 1827 1822 1828 1829 1830 CONECT 1828 1827 CONECT 1829 1827 CONECT 1830 1827 CONECT 1831 1822 1832 1833 1834 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1831 CONECT 1835 1821 CONECT 1836 1821 CONECT 1837 1820 CONECT 1838 1820 CONECT 1839 1819 CONECT 1840 1819 CONECT 1841 1818 CONECT 1842 1818 CONECT 1843 1817 1844 1845 CONECT 1844 1843 CONECT 1845 1843 1846 1887 CONECT 1846 1845 1847 1858 1886 CONECT 1847 1846 1848 1856 1857 CONECT 1848 1847 1849 1854 1855 CONECT 1849 1848 1850 1853 CONECT 1850 1849 1851 1852 CONECT 1851 1850 CONECT 1852 1850 CONECT 1853 1849 CONECT 1854 1848 CONECT 1855 1848 CONECT 1856 1847 CONECT 1857 1847 CONECT 1858 1846 1859 1860 CONECT 1859 1858 CONECT 1860 1858 1861 1885 CONECT 1861 1860 1862 1870 1884 CONECT 1862 1861 1863 1867 1869 CONECT 1863 1862 1864 1865 1866 CONECT 1864 1863 CONECT 1865 1863 CONECT 1866 1863 CONECT 1867 1862 1868 CONECT 1868 1867 CONECT 1869 1862 CONECT 1870 1861 1871 1872 CONECT 1871 1870 CONECT 1872 1870 1873 1883 CONECT 1873 1872 1874 1878 1882 CONECT 1874 1873 1875 1876 1877 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1874 CONECT 1878 1873 1879 1880 CONECT 1879 1878 CONECT 1880 1878 1881 CONECT 1881 1880 CONECT 1882 1873 CONECT 1883 1872 CONECT 1884 1861 CONECT 1885 1860 CONECT 1886 1846 CONECT 1887 1845 CONECT 1888 1817 CONECT 1889 1816 CONECT 1890 1805 CONECT 1891 1804 CONECT 1892 1783 CONECT 1893 1782 CONECT 1894 1775 CONECT 1895 1774 CONECT 1896 1774 CONECT 1897 1774 MASTER 0 0 0 0 0 0 0 0 1895 2 132 10 END
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5jzi
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5n1y
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10-mer
5t70
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5vnb
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PDBbind
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5w7i
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PDBbind
10-mer
5w7j
RCSB PDB
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10-mer
5wkf
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PDBbind
10-mer
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PDBbind
10-mer
6buu
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PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
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PDBbind
10-mer
6iiw
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PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
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PDBbind
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Entry Information
PDB ID
2gfa
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Jumonji domain-containing protein 2A
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=10.4uM
Release Year
2006
Protein/NA Sequence
Check fasta file
Primary Reference
(2006) Science Vol. 312: pp. 748-751
Ligand Properties
Formula
C
3
4
H
6
7
N
1
2
O
1
1
Molecular Weight
819.970
Exact Mass
819.505
No. of atoms
124
No. of bonds
123
Polar Surface Area
389.1
LOGP Value
-5.25 (
Computed with XLOGP3
)
-3.89 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 11
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 0
Canonical SMILES
NC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)C)[C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N)CCCC[N+](C)(C)C
InChI String
InChI=1S/C34H64N12O11/c1-17(35)27(50)41-22(12-10-15-39-34(37)38)29(52)45-26(20(4)48)32(55)43-21(11-8-9-16-46(5,6)7)28(51)42-23(13-14-24(36)49)30(53)44-25(19(3)47)31(54)40-18(2)33(56)57/h17-23,25-26,47-48H,8-16,35H2,1-7H3,(H12-,36,37,38,39,40,41,42,43,44,45,49,50,51,52,53,54,55,56,57)/p+3/t17-,18-,19+,20+,21-,22-,23-,25-,26-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O75164
Entrez Gene ID
NCBI Entrez Gene ID:
9682
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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