Browse entries in the PDBbind-CN Database
HEADER 2QQS_COMPLEX COMPND 2QQS_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 109 GLN SER ILE THR ALA GLY GLN LYS VAL ILE SER LYS HIS SEQRES 2 A 109 LYS ASN GLY ARG PHE TYR GLN CYS GLU VAL VAL ARG LEU SEQRES 3 A 109 THR THR GLU THR PHE TYR GLU VAL ASN PHE ASP ASP GLY SEQRES 4 A 109 SER PHE SER ASP ASN LEU TYR PRO GLU ASP ILE VAL SER SEQRES 5 A 109 GLN ASP CYS LEU GLN PHE GLY PRO PRO ALA GLU GLY GLU SEQRES 6 A 109 VAL VAL GLN VAL ARG TRP THR ASP GLY GLN VAL TYR GLY SEQRES 7 A 109 ALA LYS PHE VAL ALA SER HIS PRO ILE GLN MET TYR GLN SEQRES 8 A 109 VAL GLU PHE GLU ASP GLY SER GLN LEU VAL VAL LYS ARG SEQRES 9 A 109 ASP ASP VAL TYR THR HET ARG A 142 159 ATOM 1 N GLN A 897 28.749 10.037 -5.279 1.00 40.09 N ATOM 2 CA GLN A 897 28.628 9.225 -4.030 1.00 40.15 C ATOM 3 C GLN A 897 27.153 8.967 -3.635 1.00 39.80 C ATOM 4 O GLN A 897 26.661 7.831 -3.716 1.00 39.86 O ATOM 5 CB GLN A 897 29.384 9.911 -2.871 1.00 40.19 C ATOM 6 CG GLN A 897 30.122 8.951 -1.904 1.00 41.14 C ATOM 7 CD GLN A 897 29.213 7.921 -1.191 1.00 41.14 C ATOM 8 OE1 GLN A 897 29.350 6.704 -1.400 1.00 39.61 O ATOM 9 NE2 GLN A 897 28.293 8.412 -0.346 1.00 39.91 N ATOM 10 HA GLN A 897 29.080 8.254 -4.231 1.00 0.00 H ATOM 11 HB2 GLN A 897 30.122 10.587 -3.303 1.00 0.00 H ATOM 12 HB3 GLN A 897 28.662 10.485 -2.290 1.00 0.00 H ATOM 13 HG2 GLN A 897 30.871 8.404 -2.476 1.00 0.00 H ATOM 14 HG3 GLN A 897 30.617 9.552 -1.141 1.00 0.00 H ATOM 15 HE22 GLN A 897 28.214 9.439 -0.202 1.00 0.00 H ATOM 16 HE21 GLN A 897 27.659 7.765 0.165 1.00 0.00 H ATOM 17 HN3 GLN A 897 28.288 10.958 -5.138 1.00 0.00 H ATOM 18 HN2 GLN A 897 28.289 9.534 -6.064 1.00 0.00 H ATOM 19 HN1 GLN A 897 29.755 10.182 -5.501 1.00 0.00 H ATOM 20 N SER A 898 26.459 10.024 -3.212 1.00 39.11 N ATOM 21 CA SER A 898 25.115 9.900 -2.680 1.00 38.09 C ATOM 22 C SER A 898 24.095 10.771 -3.414 1.00 37.61 C ATOM 23 O SER A 898 24.413 11.811 -3.988 1.00 37.42 O ATOM 24 CB SER A 898 25.116 10.220 -1.193 1.00 38.25 C ATOM 25 OG SER A 898 24.138 9.434 -0.534 1.00 38.25 O ATOM 26 HA SER A 898 24.805 8.867 -2.836 1.00 0.00 H ATOM 27 HB2 SER A 898 24.889 11.276 -1.049 1.00 0.00 H ATOM 28 HB3 SER A 898 26.099 10.001 -0.776 1.00 0.00 H ATOM 29 HG SER A 898 24.143 9.646 0.433 1.00 0.00 H ATOM 30 H SER A 898 26.895 10.967 -3.265 1.00 0.00 H ATOM 31 N ILE A 899 22.844 10.348 -3.312 1.00 37.21 N ATOM 32 CA ILE A 899 21.778 10.665 -4.266 1.00 36.57 C ATOM 33 C ILE A 899 20.902 11.873 -3.855 1.00 36.27 C ATOM 34 O ILE A 899 20.680 12.111 -2.664 1.00 36.45 O ATOM 35 CB ILE A 899 20.892 9.391 -4.446 1.00 36.27 C ATOM 36 CG1 ILE A 899 21.771 8.159 -4.717 1.00 35.57 C ATOM 37 CG2 ILE A 899 19.909 9.556 -5.582 1.00 37.55 C ATOM 38 CD1 ILE A 899 21.357 6.902 -3.994 1.00 34.02 C ATOM 39 HA ILE A 899 22.252 10.959 -5.203 1.00 0.00 H ATOM 40 HB ILE A 899 20.335 9.250 -3.520 1.00 0.00 H ATOM 41 HG12 ILE A 899 21.746 7.956 -5.788 1.00 0.00 H ATOM 42 HG13 ILE A 899 22.791 8.400 -4.418 1.00 0.00 H ATOM 43 HD11 ILE A 899 21.389 7.076 -2.918 1.00 0.00 H ATOM 44 HD12 ILE A 899 20.343 6.631 -4.290 1.00 0.00 H ATOM 45 HD13 ILE A 899 22.041 6.093 -4.253 1.00 0.00 H ATOM 46 HG21 ILE A 899 19.257 10.404 -5.376 1.00 0.00 H ATOM 47 HG22 ILE A 899 20.454 9.732 -6.510 1.00 0.00 H ATOM 48 HG23 ILE A 899 19.310 8.650 -5.677 1.00 0.00 H ATOM 49 H ILE A 899 22.601 9.749 -2.497 1.00 0.00 H ATOM 50 N THR A 900 20.424 12.631 -4.846 1.00 35.82 N ATOM 51 CA THR A 900 19.437 13.709 -4.639 1.00 35.31 C ATOM 52 C THR A 900 18.373 13.630 -5.718 1.00 34.60 C ATOM 53 O THR A 900 18.604 12.976 -6.738 1.00 34.66 O ATOM 54 CB THR A 900 20.071 15.102 -4.731 1.00 35.58 C ATOM 55 OG1 THR A 900 21.083 15.104 -5.752 1.00 35.18 O ATOM 56 CG2 THR A 900 20.659 15.519 -3.375 1.00 35.88 C ATOM 57 HA THR A 900 19.020 13.571 -3.641 1.00 0.00 H ATOM 58 HB THR A 900 19.302 15.828 -4.997 1.00 0.00 H ATOM 59 HG1 THR A 900 21.491 16.004 -5.809 1.00 0.00 H ATOM 60 HG23 THR A 900 19.872 15.509 -2.621 1.00 0.00 H ATOM 61 HG21 THR A 900 21.445 14.820 -3.091 1.00 0.00 H ATOM 62 HG22 THR A 900 21.075 16.523 -3.454 1.00 0.00 H ATOM 63 H THR A 900 20.765 12.452 -5.812 1.00 0.00 H ATOM 64 N ALA A 901 17.235 14.309 -5.506 1.00 33.56 N ATOM 65 CA ALA A 901 16.081 14.251 -6.440 1.00 32.60 C ATOM 66 C ALA A 901 16.379 14.899 -7.783 1.00 31.85 C ATOM 67 O ALA A 901 17.063 15.919 -7.843 1.00 32.31 O ATOM 68 CB ALA A 901 14.841 14.874 -5.825 1.00 32.37 C ATOM 69 HA ALA A 901 15.893 13.193 -6.622 1.00 0.00 H ATOM 70 HB1 ALA A 901 14.578 14.335 -4.915 1.00 0.00 H ATOM 71 HB2 ALA A 901 15.041 15.918 -5.585 1.00 0.00 H ATOM 72 HB3 ALA A 901 14.016 14.815 -6.535 1.00 0.00 H ATOM 73 H ALA A 901 17.158 14.900 -4.653 1.00 0.00 H ATOM 74 N GLY A 902 15.865 14.302 -8.851 1.00 30.82 N ATOM 75 CA GLY A 902 16.148 14.762 -10.202 1.00 30.23 C ATOM 76 C GLY A 902 17.248 13.973 -10.895 1.00 29.73 C ATOM 77 O GLY A 902 17.557 14.203 -12.069 1.00 29.32 O ATOM 78 HA3 GLY A 902 16.451 15.808 -10.154 1.00 0.00 H ATOM 79 HA2 GLY A 902 15.237 14.676 -10.794 1.00 0.00 H ATOM 80 H GLY A 902 15.241 13.481 -8.718 1.00 0.00 H ATOM 81 N GLN A 903 17.817 13.017 -10.172 1.00 29.12 N ATOM 82 CA GLN A 903 18.964 12.273 -10.657 1.00 28.86 C ATOM 83 C GLN A 903 18.604 11.015 -11.446 1.00 28.40 C ATOM 84 O GLN A 903 17.706 10.275 -11.072 1.00 28.23 O ATOM 85 CB GLN A 903 19.815 11.900 -9.463 1.00 29.11 C ATOM 86 CG GLN A 903 21.240 11.551 -9.771 1.00 29.25 C ATOM 87 CD GLN A 903 21.905 10.973 -8.549 1.00 30.37 C ATOM 88 OE1 GLN A 903 21.916 11.592 -7.472 1.00 29.19 O ATOM 89 NE2 GLN A 903 22.434 9.754 -8.693 1.00 30.53 N ATOM 90 HA GLN A 903 19.499 12.915 -11.357 1.00 0.00 H ATOM 91 HB2 GLN A 903 19.817 12.745 -8.774 1.00 0.00 H ATOM 92 HB3 GLN A 903 19.355 11.039 -8.978 1.00 0.00 H ATOM 93 HG2 GLN A 903 21.266 10.818 -10.577 1.00 0.00 H ATOM 94 HG3 GLN A 903 21.773 12.450 -10.081 1.00 0.00 H ATOM 95 HE22 GLN A 903 22.399 9.278 -9.617 1.00 0.00 H ATOM 96 HE21 GLN A 903 22.881 9.282 -7.881 1.00 0.00 H ATOM 97 H GLN A 903 17.430 12.795 -9.232 1.00 0.00 H ATOM 98 N LYS A 904 19.317 10.782 -12.539 1.00 27.88 N ATOM 99 CA LYS A 904 19.139 9.571 -13.311 1.00 27.50 C ATOM 100 C LYS A 904 19.926 8.468 -12.614 1.00 27.14 C ATOM 101 O LYS A 904 21.046 8.697 -12.169 1.00 27.19 O ATOM 102 CB LYS A 904 19.631 9.759 -14.751 1.00 27.89 C ATOM 103 CG LYS A 904 19.255 11.100 -15.433 1.00 28.71 C ATOM 104 CD LYS A 904 17.727 11.339 -15.563 1.00 31.06 C ATOM 105 CE LYS A 904 17.025 10.339 -16.502 1.00 31.47 C ATOM 106 NZ LYS A 904 15.535 10.524 -16.606 1.00 29.80 N ATOM 107 HA LYS A 904 18.082 9.312 -13.368 1.00 0.00 H ATOM 108 HB2 LYS A 904 20.718 9.682 -14.744 1.00 0.00 H ATOM 109 HB3 LYS A 904 19.215 8.951 -15.353 1.00 0.00 H ATOM 110 HG2 LYS A 904 19.680 11.914 -14.846 1.00 0.00 H ATOM 111 HG3 LYS A 904 19.689 11.109 -16.433 1.00 0.00 H ATOM 112 HD2 LYS A 904 17.279 11.255 -14.573 1.00 0.00 H ATOM 113 HD3 LYS A 904 17.567 12.346 -15.949 1.00 0.00 H ATOM 114 HE2 LYS A 904 17.219 9.332 -16.134 1.00 0.00 H ATOM 115 HE3 LYS A 904 17.453 10.449 -17.499 1.00 0.00 H ATOM 116 HZ1 LYS A 904 15.106 10.410 -15.665 1.00 0.00 H ATOM 117 HZ2 LYS A 904 15.330 11.477 -16.969 1.00 0.00 H ATOM 118 HZ3 LYS A 904 15.143 9.813 -17.256 1.00 0.00 H ATOM 119 H LYS A 904 20.019 11.484 -12.848 1.00 0.00 H ATOM 120 N VAL A 905 19.325 7.283 -12.495 1.00 26.69 N ATOM 121 CA VAL A 905 19.922 6.127 -11.784 1.00 26.38 C ATOM 122 C VAL A 905 19.434 4.845 -12.440 1.00 26.26 C ATOM 123 O VAL A 905 18.561 4.902 -13.303 1.00 26.78 O ATOM 124 CB VAL A 905 19.541 6.074 -10.251 1.00 26.22 C ATOM 125 CG1 VAL A 905 20.306 7.105 -9.440 1.00 25.40 C ATOM 126 CG2 VAL A 905 18.027 6.210 -10.030 1.00 26.30 C ATOM 127 HA VAL A 905 21.005 6.236 -11.850 1.00 0.00 H ATOM 128 HB VAL A 905 19.837 5.088 -9.892 1.00 0.00 H ATOM 129 HG11 VAL A 905 21.376 6.917 -9.533 1.00 0.00 H ATOM 130 HG12 VAL A 905 20.077 8.103 -9.814 1.00 0.00 H ATOM 131 HG13 VAL A 905 20.012 7.032 -8.393 1.00 0.00 H ATOM 132 HG21 VAL A 905 17.686 7.164 -10.434 1.00 0.00 H ATOM 133 HG22 VAL A 905 17.512 5.394 -10.538 1.00 0.00 H ATOM 134 HG23 VAL A 905 17.812 6.168 -8.962 1.00 0.00 H ATOM 135 H VAL A 905 18.386 7.163 -12.925 1.00 0.00 H ATOM 136 N ILE A 906 19.968 3.692 -12.045 1.00 25.96 N ATOM 137 CA ILE A 906 19.438 2.427 -12.579 1.00 25.99 C ATOM 138 C ILE A 906 18.923 1.444 -11.518 1.00 25.51 C ATOM 139 O ILE A 906 19.659 1.020 -10.622 1.00 25.43 O ATOM 140 CB ILE A 906 20.366 1.761 -13.640 1.00 26.20 C ATOM 141 CG1 ILE A 906 19.754 0.447 -14.147 1.00 27.50 C ATOM 142 CG2 ILE A 906 21.761 1.528 -13.095 1.00 26.27 C ATOM 143 CD1 ILE A 906 19.801 0.288 -15.696 1.00 28.99 C ATOM 144 HA ILE A 906 18.541 2.728 -13.119 1.00 0.00 H ATOM 145 HB ILE A 906 20.453 2.450 -14.480 1.00 0.00 H ATOM 146 HG12 ILE A 906 20.301 -0.383 -13.699 1.00 0.00 H ATOM 147 HG13 ILE A 906 18.712 0.407 -13.829 1.00 0.00 H ATOM 148 HD11 ILE A 906 19.248 1.104 -16.161 1.00 0.00 H ATOM 149 HD12 ILE A 906 20.838 0.313 -16.031 1.00 0.00 H ATOM 150 HD13 ILE A 906 19.350 -0.664 -15.976 1.00 0.00 H ATOM 151 HG21 ILE A 906 22.200 2.482 -12.804 1.00 0.00 H ATOM 152 HG22 ILE A 906 21.705 0.872 -12.226 1.00 0.00 H ATOM 153 HG23 ILE A 906 22.377 1.063 -13.864 1.00 0.00 H ATOM 154 H ILE A 906 20.754 3.685 -11.364 1.00 0.00 H ATOM 155 N SER A 907 17.647 1.086 -11.664 1.00 25.09 N ATOM 156 CA SER A 907 16.904 0.323 -10.678 1.00 24.69 C ATOM 157 C SER A 907 15.888 -0.604 -11.338 1.00 24.38 C ATOM 158 O SER A 907 15.405 -0.317 -12.439 1.00 24.81 O ATOM 159 CB SER A 907 16.171 1.280 -9.736 1.00 24.58 C ATOM 160 OG SER A 907 15.734 0.599 -8.573 1.00 25.14 O ATOM 161 HA SER A 907 17.615 -0.287 -10.121 1.00 0.00 H ATOM 162 HB2 SER A 907 15.307 1.699 -10.252 1.00 0.00 H ATOM 163 HB3 SER A 907 16.846 2.086 -9.447 1.00 0.00 H ATOM 164 HG SER A 907 16.517 0.220 -8.100 1.00 0.00 H ATOM 165 H SER A 907 17.155 1.370 -12.535 1.00 0.00 H ATOM 166 N LYS A 908 15.528 -1.681 -10.635 1.00 23.74 N ATOM 167 CA LYS A 908 14.596 -2.683 -11.163 1.00 23.08 C ATOM 168 C LYS A 908 13.107 -2.267 -11.223 1.00 22.53 C ATOM 169 O LYS A 908 12.510 -1.850 -10.228 1.00 21.94 O ATOM 170 CB LYS A 908 14.771 -4.012 -10.434 1.00 22.88 C ATOM 171 CG LYS A 908 14.576 -5.200 -11.344 1.00 24.01 C ATOM 172 CD LYS A 908 14.388 -6.490 -10.578 1.00 25.74 C ATOM 173 CE LYS A 908 15.714 -7.154 -10.285 1.00 26.02 C ATOM 174 NZ LYS A 908 15.488 -8.184 -9.232 1.00 28.06 N ATOM 175 HA LYS A 908 14.875 -2.789 -12.211 1.00 0.00 H ATOM 176 HB2 LYS A 908 15.777 -4.052 -10.017 1.00 0.00 H ATOM 177 HB3 LYS A 908 14.041 -4.067 -9.626 1.00 0.00 H ATOM 178 HG2 LYS A 908 13.694 -5.027 -11.961 1.00 0.00 H ATOM 179 HG3 LYS A 908 15.452 -5.298 -11.985 1.00 0.00 H ATOM 180 HD2 LYS A 908 13.883 -6.274 -9.636 1.00 0.00 H ATOM 181 HD3 LYS A 908 13.774 -7.169 -11.170 1.00 0.00 H ATOM 182 HE2 LYS A 908 16.430 -6.412 -9.930 1.00 0.00 H ATOM 183 HE3 LYS A 908 16.100 -7.626 -11.189 1.00 0.00 H ATOM 184 HZ1 LYS A 908 15.117 -7.726 -8.375 1.00 0.00 H ATOM 185 HZ2 LYS A 908 14.802 -8.886 -9.577 1.00 0.00 H ATOM 186 HZ3 LYS A 908 16.388 -8.656 -9.012 1.00 0.00 H ATOM 187 H LYS A 908 15.922 -1.814 -9.682 1.00 0.00 H ATOM 188 N HIS A 909 12.545 -2.392 -12.425 1.00 22.26 N ATOM 189 CA HIS A 909 11.131 -2.159 -12.728 1.00 22.03 C ATOM 190 C HIS A 909 10.349 -3.419 -12.389 1.00 22.27 C ATOM 191 O HIS A 909 10.925 -4.504 -12.371 1.00 22.75 O ATOM 192 CB HIS A 909 11.016 -1.845 -14.216 1.00 21.65 C ATOM 193 CG HIS A 909 9.618 -1.645 -14.706 1.00 21.29 C ATOM 194 ND1 HIS A 909 9.001 -0.412 -14.710 1.00 20.91 N ATOM 195 CD2 HIS A 909 8.725 -2.515 -15.236 1.00 20.44 C ATOM 196 CE1 HIS A 909 7.786 -0.534 -15.218 1.00 20.62 C ATOM 197 NE2 HIS A 909 7.593 -1.801 -15.542 1.00 19.02 N ATOM 198 HA HIS A 909 10.731 -1.328 -12.147 1.00 0.00 H ATOM 199 HB2 HIS A 909 11.580 -0.934 -14.416 1.00 0.00 H ATOM 200 HB3 HIS A 909 11.456 -2.672 -14.773 1.00 0.00 H ATOM 201 HD2 HIS A 909 8.877 -3.583 -15.391 1.00 0.00 H ATOM 202 HE1 HIS A 909 7.066 0.274 -15.348 1.00 0.00 H ATOM 203 H HIS A 909 13.161 -2.678 -13.212 1.00 0.00 H ATOM 204 N LYS A 910 9.048 -3.303 -12.122 1.00 22.34 N ATOM 205 CA LYS A 910 8.266 -4.481 -11.685 1.00 22.54 C ATOM 206 C LYS A 910 8.297 -5.677 -12.649 1.00 22.49 C ATOM 207 O LYS A 910 8.043 -6.816 -12.237 1.00 22.41 O ATOM 208 CB LYS A 910 6.814 -4.113 -11.341 1.00 22.66 C ATOM 209 CG LYS A 910 6.517 -4.049 -9.841 1.00 23.15 C ATOM 210 CD LYS A 910 5.015 -4.159 -9.579 1.00 23.59 C ATOM 211 CE LYS A 910 4.681 -3.974 -8.095 1.00 24.70 C ATOM 212 NZ LYS A 910 3.277 -3.437 -7.846 1.00 25.38 N ATOM 213 HA LYS A 910 8.778 -4.813 -10.782 1.00 0.00 H ATOM 214 HB2 LYS A 910 6.598 -3.136 -11.774 1.00 0.00 H ATOM 215 HB3 LYS A 910 6.158 -4.860 -11.787 1.00 0.00 H ATOM 216 HG2 LYS A 910 7.028 -4.871 -9.340 1.00 0.00 H ATOM 217 HG3 LYS A 910 6.881 -3.101 -9.445 1.00 0.00 H ATOM 218 HD2 LYS A 910 4.499 -3.391 -10.155 1.00 0.00 H ATOM 219 HD3 LYS A 910 4.672 -5.143 -9.898 1.00 0.00 H ATOM 220 HE2 LYS A 910 5.398 -3.275 -7.665 1.00 0.00 H ATOM 221 HE3 LYS A 910 4.774 -4.940 -7.598 1.00 0.00 H ATOM 222 HZ1 LYS A 910 3.176 -2.509 -8.305 1.00 0.00 H ATOM 223 HZ2 LYS A 910 2.579 -4.099 -8.241 1.00 0.00 H ATOM 224 HZ3 LYS A 910 3.122 -3.338 -6.822 1.00 0.00 H ATOM 225 H LYS A 910 8.580 -2.380 -12.221 1.00 0.00 H ATOM 226 N ASN A 911 8.596 -5.429 -13.922 1.00 22.31 N ATOM 227 CA ASN A 911 8.726 -6.527 -14.882 1.00 22.69 C ATOM 228 C ASN A 911 9.952 -7.445 -14.632 1.00 22.61 C ATOM 229 O ASN A 911 10.033 -8.530 -15.211 1.00 22.43 O ATOM 230 CB ASN A 911 8.736 -5.994 -16.319 1.00 22.64 C ATOM 231 CG ASN A 911 9.924 -5.113 -16.589 1.00 22.55 C ATOM 232 OD1 ASN A 911 10.711 -4.832 -15.678 1.00 23.39 O ATOM 233 ND2 ASN A 911 10.067 -4.659 -17.833 1.00 20.64 N ATOM 234 HA ASN A 911 7.848 -7.155 -14.732 1.00 0.00 H ATOM 235 HB2 ASN A 911 8.761 -6.839 -17.007 1.00 0.00 H ATOM 236 HB3 ASN A 911 7.826 -5.418 -16.487 1.00 0.00 H ATOM 237 HD22 ASN A 911 9.378 -4.924 -18.566 1.00 0.00 H ATOM 238 HD21 ASN A 911 10.868 -4.040 -18.072 1.00 0.00 H ATOM 239 H ASN A 911 8.738 -4.448 -14.237 1.00 0.00 H ATOM 240 N GLY A 912 10.879 -6.996 -13.771 1.00 22.59 N ATOM 241 CA GLY A 912 12.042 -7.783 -13.316 1.00 22.30 C ATOM 242 C GLY A 912 13.384 -7.390 -13.932 1.00 22.22 C ATOM 243 O GLY A 912 14.397 -8.066 -13.731 1.00 22.43 O ATOM 244 HA3 GLY A 912 11.855 -8.829 -13.557 1.00 0.00 H ATOM 245 HA2 GLY A 912 12.122 -7.670 -12.235 1.00 0.00 H ATOM 246 H GLY A 912 10.771 -6.030 -13.400 1.00 0.00 H ATOM 247 N ARG A 913 13.389 -6.287 -14.676 1.00 21.88 N ATOM 248 CA ARG A 913 14.550 -5.849 -15.436 1.00 21.40 C ATOM 249 C ARG A 913 15.048 -4.478 -14.966 1.00 21.63 C ATOM 250 O ARG A 913 14.302 -3.702 -14.347 1.00 21.41 O ATOM 251 CB ARG A 913 14.202 -5.769 -16.923 1.00 21.25 C ATOM 252 CG ARG A 913 13.568 -7.020 -17.514 1.00 21.38 C ATOM 253 CD ARG A 913 13.027 -6.763 -18.932 1.00 21.41 C ATOM 254 NE ARG A 913 13.880 -7.247 -20.027 1.00 20.03 N ATOM 255 CZ ARG A 913 14.996 -6.646 -20.446 1.00 20.69 C ATOM 256 NH1 ARG A 913 15.436 -5.533 -19.855 1.00 20.14 N ATOM 257 NH2 ARG A 913 15.674 -7.147 -21.473 1.00 19.78 N ATOM 258 HA ARG A 913 15.342 -6.580 -15.274 1.00 0.00 H ATOM 259 HB2 ARG A 913 13.506 -4.942 -17.062 1.00 0.00 H ATOM 260 HB3 ARG A 913 15.121 -5.565 -17.473 1.00 0.00 H ATOM 261 HG2 ARG A 913 14.318 -7.810 -17.558 1.00 0.00 H ATOM 262 HG3 ARG A 913 12.745 -7.337 -16.873 1.00 0.00 H ATOM 263 HD2 ARG A 913 12.899 -5.687 -19.054 1.00 0.00 H ATOM 264 HD3 ARG A 913 12.058 -7.255 -19.017 1.00 0.00 H ATOM 265 HE ARG A 913 13.593 -8.122 -20.511 1.00 0.00 H ATOM 266 HH12 ARG A 913 16.307 -5.075 -20.192 1.00 0.00 H ATOM 267 HH11 ARG A 913 14.908 -5.124 -19.058 1.00 0.00 H ATOM 268 HH22 ARG A 913 16.543 -6.679 -21.800 1.00 0.00 H ATOM 269 HH21 ARG A 913 15.335 -8.007 -21.950 1.00 0.00 H ATOM 270 H ARG A 913 12.524 -5.712 -14.716 1.00 0.00 H ATOM 271 N PHE A 914 16.308 -4.179 -15.283 1.00 21.63 N ATOM 272 CA PHE A 914 16.918 -2.913 -14.902 1.00 21.72 C ATOM 273 C PHE A 914 16.760 -1.833 -15.965 1.00 22.40 C ATOM 274 O PHE A 914 16.969 -2.090 -17.177 1.00 22.48 O ATOM 275 CB PHE A 914 18.380 -3.103 -14.535 1.00 21.17 C ATOM 276 CG PHE A 914 18.572 -3.728 -13.199 1.00 20.96 C ATOM 277 CD1 PHE A 914 18.809 -5.090 -13.083 1.00 19.82 C ATOM 278 CD2 PHE A 914 18.485 -2.957 -12.037 1.00 19.80 C ATOM 279 CE1 PHE A 914 18.979 -5.667 -11.824 1.00 20.47 C ATOM 280 CE2 PHE A 914 18.643 -3.530 -10.790 1.00 18.16 C ATOM 281 CZ PHE A 914 18.894 -4.877 -10.677 1.00 18.91 C ATOM 282 HA PHE A 914 16.379 -2.563 -14.022 1.00 0.00 H ATOM 283 HB2 PHE A 914 18.846 -3.740 -15.286 1.00 0.00 H ATOM 284 HB3 PHE A 914 18.867 -2.128 -14.535 1.00 0.00 H ATOM 285 HD2 PHE A 914 18.290 -1.888 -12.116 1.00 0.00 H ATOM 286 HE2 PHE A 914 18.569 -2.913 -9.894 1.00 0.00 H ATOM 287 HZ PHE A 914 19.026 -5.327 -9.693 1.00 0.00 H ATOM 288 HE1 PHE A 914 19.178 -6.735 -11.736 1.00 0.00 H ATOM 289 HD1 PHE A 914 18.863 -5.711 -13.977 1.00 0.00 H ATOM 290 H PHE A 914 16.872 -4.870 -15.818 1.00 0.00 H ATOM 291 N TYR A 915 16.405 -0.632 -15.487 1.00 22.27 N ATOM 292 CA TYR A 915 16.101 0.503 -16.331 1.00 22.41 C ATOM 293 C TYR A 915 16.647 1.783 -15.779 1.00 22.61 C ATOM 294 O TYR A 915 16.840 1.907 -14.589 1.00 22.27 O ATOM 295 CB TYR A 915 14.596 0.698 -16.407 1.00 22.59 C ATOM 296 CG TYR A 915 13.892 -0.335 -17.201 1.00 22.83 C ATOM 297 CD1 TYR A 915 13.401 -1.488 -16.581 1.00 23.87 C ATOM 298 CD2 TYR A 915 13.708 -0.177 -18.574 1.00 21.95 C ATOM 299 CE1 TYR A 915 12.741 -2.469 -17.311 1.00 23.94 C ATOM 300 CE2 TYR A 915 13.045 -1.149 -19.315 1.00 22.95 C ATOM 301 CZ TYR A 915 12.562 -2.289 -18.676 1.00 23.89 C ATOM 302 OH TYR A 915 11.902 -3.263 -19.384 1.00 25.60 O ATOM 303 HA TYR A 915 16.548 0.289 -17.302 1.00 0.00 H ATOM 304 HB3 TYR A 915 14.399 1.670 -16.858 1.00 0.00 H ATOM 305 HB2 TYR A 915 14.197 0.682 -15.393 1.00 0.00 H ATOM 306 HD2 TYR A 915 14.087 0.716 -19.071 1.00 0.00 H ATOM 307 HE2 TYR A 915 12.904 -1.020 -20.388 1.00 0.00 H ATOM 308 HE1 TYR A 915 12.369 -3.368 -16.819 1.00 0.00 H ATOM 309 HD1 TYR A 915 13.538 -1.619 -15.508 1.00 0.00 H ATOM 310 HH TYR A 915 11.634 -3.992 -18.770 1.00 0.00 H ATOM 311 H TYR A 915 16.345 -0.510 -14.456 1.00 0.00 H ATOM 312 N GLN A 916 16.842 2.749 -16.666 1.00 23.36 N ATOM 313 CA GLN A 916 16.977 4.143 -16.284 1.00 24.16 C ATOM 314 C GLN A 916 15.790 4.572 -15.449 1.00 24.96 C ATOM 315 O GLN A 916 14.645 4.239 -15.778 1.00 24.85 O ATOM 316 CB GLN A 916 16.968 4.987 -17.530 1.00 24.19 C ATOM 317 CG GLN A 916 18.303 5.207 -18.107 1.00 23.61 C ATOM 318 CD GLN A 916 18.648 6.659 -18.145 1.00 22.09 C ATOM 319 OE1 GLN A 916 19.694 7.037 -18.676 1.00 22.53 O ATOM 320 NE2 GLN A 916 17.767 7.495 -17.606 1.00 19.69 N ATOM 321 HA GLN A 916 17.902 4.264 -15.720 1.00 0.00 H ATOM 322 HB2 GLN A 916 16.348 4.491 -18.277 1.00 0.00 H ATOM 323 HB3 GLN A 916 16.535 5.957 -17.285 1.00 0.00 H ATOM 324 HG2 GLN A 916 19.042 4.682 -17.502 1.00 0.00 H ATOM 325 HG3 GLN A 916 18.320 4.811 -19.123 1.00 0.00 H ATOM 326 HE22 GLN A 916 16.899 7.125 -17.170 1.00 0.00 H ATOM 327 HE21 GLN A 916 17.946 8.519 -17.621 1.00 0.00 H ATOM 328 H GLN A 916 16.900 2.499 -17.674 1.00 0.00 H ATOM 329 N CYS A 917 16.082 5.320 -14.382 1.00 25.77 N ATOM 330 CA CYS A 917 15.091 5.841 -13.450 1.00 26.57 C ATOM 331 C CYS A 917 15.500 7.241 -13.059 1.00 27.05 C ATOM 332 O CYS A 917 16.676 7.479 -12.843 1.00 27.67 O ATOM 333 CB CYS A 917 15.061 5.009 -12.175 1.00 26.34 C ATOM 334 SG CYS A 917 14.811 3.261 -12.418 1.00 28.27 S ATOM 335 HA CYS A 917 14.112 5.817 -13.930 1.00 0.00 H ATOM 336 HB2 CYS A 917 14.252 5.382 -11.547 1.00 0.00 H ATOM 337 HB3 CYS A 917 16.012 5.146 -11.660 1.00 0.00 H ATOM 338 HG CYS A 917 15.833 2.755 -13.195 1.00 0.00 H ATOM 339 H CYS A 917 17.082 5.545 -14.205 1.00 0.00 H ATOM 340 N GLU A 918 14.538 8.161 -12.967 1.00 27.74 N ATOM 341 CA GLU A 918 14.760 9.464 -12.354 1.00 28.01 C ATOM 342 C GLU A 918 14.114 9.498 -10.964 1.00 28.32 C ATOM 343 O GLU A 918 12.910 9.252 -10.805 1.00 28.42 O ATOM 344 CB GLU A 918 14.220 10.578 -13.246 1.00 28.26 C ATOM 345 CG GLU A 918 14.244 11.972 -12.595 1.00 29.92 C ATOM 346 CD GLU A 918 14.453 13.119 -13.600 1.00 30.57 C ATOM 347 OE1 GLU A 918 14.440 12.869 -14.829 1.00 30.54 O ATOM 348 OE2 GLU A 918 14.644 14.272 -13.150 1.00 29.66 O ATOM 349 HA GLU A 918 15.832 9.628 -12.240 1.00 0.00 H ATOM 350 HB2 GLU A 918 14.823 10.613 -14.153 1.00 0.00 H ATOM 351 HB3 GLU A 918 13.189 10.339 -13.506 1.00 0.00 H ATOM 352 HG2 GLU A 918 13.294 12.130 -12.084 1.00 0.00 H ATOM 353 HG3 GLU A 918 15.055 11.999 -11.868 1.00 0.00 H ATOM 354 H GLU A 918 13.595 7.940 -13.347 1.00 0.00 H ATOM 355 N VAL A 919 14.941 9.776 -9.959 1.00 28.84 N ATOM 356 CA VAL A 919 14.514 9.938 -8.571 1.00 28.61 C ATOM 357 C VAL A 919 13.679 11.208 -8.532 1.00 28.89 C ATOM 358 O VAL A 919 14.201 12.294 -8.748 1.00 29.20 O ATOM 359 CB VAL A 919 15.731 10.126 -7.613 1.00 28.44 C ATOM 360 CG1 VAL A 919 15.482 9.441 -6.271 1.00 28.53 C ATOM 361 CG2 VAL A 919 17.004 9.574 -8.221 1.00 28.00 C ATOM 362 HA VAL A 919 13.966 9.053 -8.246 1.00 0.00 H ATOM 363 HB VAL A 919 15.849 11.198 -7.456 1.00 0.00 H ATOM 364 HG11 VAL A 919 14.598 9.873 -5.803 1.00 0.00 H ATOM 365 HG12 VAL A 919 15.325 8.375 -6.432 1.00 0.00 H ATOM 366 HG13 VAL A 919 16.346 9.588 -5.623 1.00 0.00 H ATOM 367 HG21 VAL A 919 16.879 8.509 -8.418 1.00 0.00 H ATOM 368 HG22 VAL A 919 17.215 10.095 -9.155 1.00 0.00 H ATOM 369 HG23 VAL A 919 17.831 9.722 -7.526 1.00 0.00 H ATOM 370 H VAL A 919 15.953 9.885 -10.175 1.00 0.00 H ATOM 371 N VAL A 920 12.382 11.071 -8.297 1.00 29.33 N ATOM 372 CA VAL A 920 11.486 12.228 -8.283 1.00 30.02 C ATOM 373 C VAL A 920 11.344 12.789 -6.877 1.00 30.53 C ATOM 374 O VAL A 920 10.954 13.947 -6.693 1.00 30.51 O ATOM 375 CB VAL A 920 10.072 11.909 -8.886 1.00 29.93 C ATOM 376 CG1 VAL A 920 10.170 11.686 -10.402 1.00 30.84 C ATOM 377 CG2 VAL A 920 9.440 10.709 -8.218 1.00 29.07 C ATOM 378 HA VAL A 920 11.946 12.981 -8.923 1.00 0.00 H ATOM 379 HB VAL A 920 9.432 12.771 -8.697 1.00 0.00 H ATOM 380 HG11 VAL A 920 10.562 12.586 -10.876 1.00 0.00 H ATOM 381 HG12 VAL A 920 10.838 10.848 -10.602 1.00 0.00 H ATOM 382 HG13 VAL A 920 9.179 11.466 -10.800 1.00 0.00 H ATOM 383 HG21 VAL A 920 10.079 9.838 -8.359 1.00 0.00 H ATOM 384 HG22 VAL A 920 9.324 10.907 -7.153 1.00 0.00 H ATOM 385 HG23 VAL A 920 8.463 10.520 -8.663 1.00 0.00 H ATOM 386 H VAL A 920 11.993 10.123 -8.119 1.00 0.00 H ATOM 387 N ARG A 921 11.678 11.956 -5.893 1.00 31.00 N ATOM 388 CA ARG A 921 11.420 12.260 -4.492 1.00 31.66 C ATOM 389 C ARG A 921 12.223 11.350 -3.532 1.00 31.82 C ATOM 390 O ARG A 921 12.498 10.176 -3.829 1.00 31.29 O ATOM 391 CB ARG A 921 9.890 12.255 -4.216 1.00 31.81 C ATOM 392 CG ARG A 921 9.403 11.832 -2.801 1.00 32.80 C ATOM 393 CD ARG A 921 8.263 12.738 -2.264 1.00 33.36 C ATOM 394 NE ARG A 921 8.731 14.067 -1.792 1.00 33.72 N ATOM 395 CZ ARG A 921 8.915 14.427 -0.510 1.00 33.01 C ATOM 396 NH1 ARG A 921 8.699 13.576 0.499 1.00 31.62 N ATOM 397 NH2 ARG A 921 9.329 15.655 -0.230 1.00 32.34 N ATOM 398 HA ARG A 921 11.783 13.267 -4.286 1.00 0.00 H ATOM 399 HB2 ARG A 921 9.525 13.266 -4.395 1.00 0.00 H ATOM 400 HB3 ARG A 921 9.434 11.573 -4.933 1.00 0.00 H ATOM 401 HG2 ARG A 921 9.040 10.806 -2.849 1.00 0.00 H ATOM 402 HG3 ARG A 921 10.245 11.886 -2.111 1.00 0.00 H ATOM 403 HD2 ARG A 921 7.780 12.227 -1.431 1.00 0.00 H ATOM 404 HD3 ARG A 921 7.539 12.892 -3.064 1.00 0.00 H ATOM 405 HE ARG A 921 8.934 14.783 -2.519 1.00 0.00 H ATOM 406 HH12 ARG A 921 8.850 13.884 1.481 1.00 0.00 H ATOM 407 HH11 ARG A 921 8.380 12.606 0.302 1.00 0.00 H ATOM 408 HH22 ARG A 921 9.474 15.942 0.759 1.00 0.00 H ATOM 409 HH21 ARG A 921 9.509 16.331 -0.999 1.00 0.00 H ATOM 410 H ARG A 921 12.140 11.056 -6.134 1.00 0.00 H ATOM 411 N LEU A 922 12.598 11.943 -2.396 1.00 31.93 N ATOM 412 CA LEU A 922 13.307 11.290 -1.312 1.00 31.94 C ATOM 413 C LEU A 922 12.452 11.306 -0.053 1.00 31.59 C ATOM 414 O LEU A 922 11.958 12.357 0.352 1.00 31.26 O ATOM 415 CB LEU A 922 14.592 12.070 -1.024 1.00 32.55 C ATOM 416 CG LEU A 922 15.890 11.902 -1.825 1.00 33.08 C ATOM 417 CD1 LEU A 922 17.002 11.397 -0.922 1.00 33.83 C ATOM 418 CD2 LEU A 922 15.720 11.020 -3.052 1.00 34.05 C ATOM 419 HA LEU A 922 13.531 10.262 -1.596 1.00 0.00 H ATOM 420 HB2 LEU A 922 14.325 13.123 -1.109 1.00 0.00 H ATOM 421 HB3 LEU A 922 14.850 11.844 0.011 1.00 0.00 H ATOM 422 HG LEU A 922 16.166 12.886 -2.204 1.00 0.00 H ATOM 423 HD21 LEU A 922 15.390 10.028 -2.742 1.00 0.00 H ATOM 424 HD22 LEU A 922 14.976 11.461 -3.715 1.00 0.00 H ATOM 425 HD23 LEU A 922 16.673 10.940 -3.576 1.00 0.00 H ATOM 426 HD11 LEU A 922 17.169 12.113 -0.118 1.00 0.00 H ATOM 427 HD12 LEU A 922 16.716 10.434 -0.499 1.00 0.00 H ATOM 428 HD13 LEU A 922 17.917 11.282 -1.504 1.00 0.00 H ATOM 429 H LEU A 922 12.364 12.950 -2.279 1.00 0.00 H ATOM 430 N THR A 923 12.292 10.142 0.571 1.00 31.57 N ATOM 431 CA THR A 923 11.594 10.036 1.859 1.00 31.53 C ATOM 432 C THR A 923 12.376 9.198 2.864 1.00 31.41 C ATOM 433 O THR A 923 12.900 8.124 2.533 1.00 31.41 O ATOM 434 CB THR A 923 10.204 9.374 1.719 1.00 31.57 C ATOM 435 OG1 THR A 923 10.352 8.098 1.084 1.00 31.20 O ATOM 436 CG2 THR A 923 9.243 10.249 0.904 1.00 32.33 C ATOM 437 HA THR A 923 11.493 11.063 2.209 1.00 0.00 H ATOM 438 HB THR A 923 9.780 9.252 2.716 1.00 0.00 H ATOM 439 HG1 THR A 923 10.941 7.523 1.634 1.00 0.00 H ATOM 440 HG23 THR A 923 9.134 11.218 1.391 1.00 0.00 H ATOM 441 HG21 THR A 923 9.644 10.389 -0.100 1.00 0.00 H ATOM 442 HG22 THR A 923 8.271 9.760 0.844 1.00 0.00 H ATOM 443 H THR A 923 12.673 9.279 0.133 1.00 0.00 H ATOM 444 N THR A 924 12.448 9.678 4.098 1.00 31.11 N ATOM 445 CA THR A 924 12.900 8.817 5.172 1.00 30.91 C ATOM 446 C THR A 924 11.710 8.002 5.665 1.00 30.33 C ATOM 447 O THR A 924 10.620 8.526 5.891 1.00 30.13 O ATOM 448 CB THR A 924 13.618 9.592 6.300 1.00 31.35 C ATOM 449 OG1 THR A 924 13.092 10.930 6.401 1.00 31.58 O ATOM 450 CG2 THR A 924 15.123 9.681 5.979 1.00 32.38 C ATOM 451 HA THR A 924 13.662 8.136 4.793 1.00 0.00 H ATOM 452 HB THR A 924 13.459 9.066 7.241 1.00 0.00 H ATOM 453 HG1 THR A 924 13.561 11.414 7.127 1.00 0.00 H ATOM 454 HG23 THR A 924 15.536 8.676 5.899 1.00 0.00 H ATOM 455 HG21 THR A 924 15.261 10.208 5.035 1.00 0.00 H ATOM 456 HG22 THR A 924 15.632 10.222 6.777 1.00 0.00 H ATOM 457 H THR A 924 12.182 10.664 4.293 1.00 0.00 H ATOM 458 N GLU A 925 11.908 6.699 5.765 1.00 29.97 N ATOM 459 CA GLU A 925 10.844 5.822 6.184 1.00 29.70 C ATOM 460 C GLU A 925 11.381 4.698 7.044 1.00 29.28 C ATOM 461 O GLU A 925 12.310 3.990 6.660 1.00 28.78 O ATOM 462 CB GLU A 925 10.098 5.283 4.976 1.00 30.16 C ATOM 463 CG GLU A 925 9.007 4.299 5.318 1.00 31.56 C ATOM 464 CD GLU A 925 8.785 3.299 4.211 1.00 33.70 C ATOM 465 OE1 GLU A 925 9.055 2.093 4.436 1.00 35.96 O ATOM 466 OE2 GLU A 925 8.345 3.714 3.112 1.00 34.22 O ATOM 467 HA GLU A 925 10.141 6.393 6.790 1.00 0.00 H ATOM 468 HB2 GLU A 925 9.649 6.123 4.447 1.00 0.00 H ATOM 469 HB3 GLU A 925 10.816 4.786 4.323 1.00 0.00 H ATOM 470 HG2 GLU A 925 9.286 3.764 6.226 1.00 0.00 H ATOM 471 HG3 GLU A 925 8.080 4.846 5.491 1.00 0.00 H ATOM 472 H GLU A 925 12.842 6.302 5.539 1.00 0.00 H ATOM 473 N THR A 926 10.738 4.547 8.203 1.00 29.26 N ATOM 474 CA THR A 926 11.209 3.728 9.328 1.00 28.76 C ATOM 475 C THR A 926 10.586 2.324 9.366 1.00 27.88 C ATOM 476 O THR A 926 9.381 2.156 9.195 1.00 28.10 O ATOM 477 CB THR A 926 10.893 4.417 10.709 1.00 29.08 C ATOM 478 OG1 THR A 926 10.879 5.860 10.606 1.00 29.40 O ATOM 479 CG2 THR A 926 11.905 3.979 11.769 1.00 29.92 C ATOM 480 HA THR A 926 12.283 3.634 9.171 1.00 0.00 H ATOM 481 HB THR A 926 9.895 4.097 11.007 1.00 0.00 H ATOM 482 HG1 THR A 926 10.677 6.251 11.493 1.00 0.00 H ATOM 483 HG23 THR A 926 11.908 2.891 11.839 1.00 0.00 H ATOM 484 HG21 THR A 926 12.898 4.329 11.488 1.00 0.00 H ATOM 485 HG22 THR A 926 11.627 4.406 12.733 1.00 0.00 H ATOM 486 H THR A 926 9.834 5.048 8.319 1.00 0.00 H ATOM 487 N PHE A 927 11.419 1.322 9.622 1.00 26.87 N ATOM 488 CA PHE A 927 10.965 -0.055 9.773 1.00 25.37 C ATOM 489 C PHE A 927 11.284 -0.519 11.186 1.00 24.74 C ATOM 490 O PHE A 927 12.066 0.129 11.873 1.00 24.78 O ATOM 491 CB PHE A 927 11.682 -0.955 8.782 1.00 24.98 C ATOM 492 CG PHE A 927 11.341 -0.685 7.366 1.00 24.70 C ATOM 493 CD1 PHE A 927 11.926 0.379 6.690 1.00 24.64 C ATOM 494 CD2 PHE A 927 10.449 -1.524 6.686 1.00 25.08 C ATOM 495 CE1 PHE A 927 11.614 0.615 5.358 1.00 25.46 C ATOM 496 CE2 PHE A 927 10.127 -1.310 5.351 1.00 24.21 C ATOM 497 CZ PHE A 927 10.701 -0.238 4.684 1.00 25.63 C ATOM 498 HA PHE A 927 9.892 -0.106 9.586 1.00 0.00 H ATOM 499 HB2 PHE A 927 12.756 -0.817 8.908 1.00 0.00 H ATOM 500 HB3 PHE A 927 11.421 -1.989 9.007 1.00 0.00 H ATOM 501 HD2 PHE A 927 9.998 -2.363 7.215 1.00 0.00 H ATOM 502 HE2 PHE A 927 9.434 -1.975 4.836 1.00 0.00 H ATOM 503 HZ PHE A 927 10.451 -0.050 3.640 1.00 0.00 H ATOM 504 HE1 PHE A 927 12.069 1.453 4.831 1.00 0.00 H ATOM 505 HD1 PHE A 927 12.631 1.030 7.207 1.00 0.00 H ATOM 506 H PHE A 927 12.434 1.527 9.718 1.00 0.00 H ATOM 507 N TYR A 928 10.691 -1.641 11.607 1.00 23.88 N ATOM 508 CA TYR A 928 10.864 -2.158 12.960 1.00 23.01 C ATOM 509 C TYR A 928 11.465 -3.550 12.945 1.00 23.15 C ATOM 510 O TYR A 928 10.997 -4.428 12.204 1.00 22.49 O ATOM 511 CB TYR A 928 9.519 -2.207 13.669 1.00 22.43 C ATOM 512 CG TYR A 928 9.031 -0.900 14.225 1.00 21.40 C ATOM 513 CD1 TYR A 928 7.903 -0.869 15.045 1.00 21.76 C ATOM 514 CD2 TYR A 928 9.691 0.300 13.966 1.00 20.24 C ATOM 515 CE1 TYR A 928 7.426 0.316 15.575 1.00 21.22 C ATOM 516 CE2 TYR A 928 9.226 1.492 14.487 1.00 21.61 C ATOM 517 CZ TYR A 928 8.086 1.488 15.296 1.00 21.80 C ATOM 518 OH TYR A 928 7.601 2.654 15.830 1.00 22.87 O ATOM 519 HA TYR A 928 11.544 -1.490 13.489 1.00 0.00 H ATOM 520 HB3 TYR A 928 9.600 -2.914 14.495 1.00 0.00 H ATOM 521 HB2 TYR A 928 8.777 -2.567 12.956 1.00 0.00 H ATOM 522 HD2 TYR A 928 10.586 0.298 13.344 1.00 0.00 H ATOM 523 HE2 TYR A 928 9.743 2.427 14.269 1.00 0.00 H ATOM 524 HE1 TYR A 928 6.537 0.320 16.206 1.00 0.00 H ATOM 525 HD1 TYR A 928 7.385 -1.801 15.273 1.00 0.00 H ATOM 526 HH TYR A 928 6.795 2.458 16.371 1.00 0.00 H ATOM 527 H TYR A 928 10.084 -2.165 10.945 1.00 0.00 H ATOM 528 N GLU A 929 12.503 -3.740 13.763 1.00 23.26 N ATOM 529 CA GLU A 929 13.109 -5.057 13.968 1.00 23.47 C ATOM 530 C GLU A 929 12.573 -5.638 15.257 1.00 23.51 C ATOM 531 O GLU A 929 12.596 -4.962 16.307 1.00 23.27 O ATOM 532 CB GLU A 929 14.644 -4.980 14.030 1.00 23.65 C ATOM 533 CG GLU A 929 15.349 -6.360 14.099 1.00 23.91 C ATOM 534 CD GLU A 929 16.882 -6.277 14.109 1.00 23.50 C ATOM 535 OE1 GLU A 929 17.549 -7.310 14.359 1.00 23.24 O ATOM 536 OE2 GLU A 929 17.429 -5.182 13.877 1.00 23.36 O ATOM 537 HA GLU A 929 12.851 -5.693 13.121 1.00 0.00 H ATOM 538 HB2 GLU A 929 14.996 -4.460 13.139 1.00 0.00 H ATOM 539 HB3 GLU A 929 14.922 -4.409 14.916 1.00 0.00 H ATOM 540 HG2 GLU A 929 15.027 -6.865 15.010 1.00 0.00 H ATOM 541 HG3 GLU A 929 15.043 -6.946 13.232 1.00 0.00 H ATOM 542 H GLU A 929 12.895 -2.923 14.273 1.00 0.00 H ATOM 543 N VAL A 930 12.097 -6.885 15.164 1.00 23.53 N ATOM 544 CA VAL A 930 11.466 -7.603 16.297 1.00 24.11 C ATOM 545 C VAL A 930 12.080 -8.990 16.478 1.00 24.59 C ATOM 546 O VAL A 930 12.721 -9.515 15.555 1.00 25.10 O ATOM 547 CB VAL A 930 9.918 -7.758 16.134 1.00 23.91 C ATOM 548 CG1 VAL A 930 9.201 -6.388 16.208 1.00 23.91 C ATOM 549 CG2 VAL A 930 9.577 -8.467 14.835 1.00 22.90 C ATOM 550 HA VAL A 930 11.656 -6.989 17.178 1.00 0.00 H ATOM 551 HB VAL A 930 9.562 -8.368 16.964 1.00 0.00 H ATOM 552 HG11 VAL A 930 9.403 -5.926 17.174 1.00 0.00 H ATOM 553 HG12 VAL A 930 9.570 -5.743 15.411 1.00 0.00 H ATOM 554 HG13 VAL A 930 8.127 -6.535 16.091 1.00 0.00 H ATOM 555 HG21 VAL A 930 9.962 -7.889 13.995 1.00 0.00 H ATOM 556 HG22 VAL A 930 10.031 -9.458 14.834 1.00 0.00 H ATOM 557 HG23 VAL A 930 8.495 -8.561 14.747 1.00 0.00 H ATOM 558 H VAL A 930 12.174 -7.376 14.250 1.00 0.00 H ATOM 559 N ASN A 931 11.893 -9.575 17.662 1.00 24.64 N ATOM 560 CA ASN A 931 12.323 -10.959 17.923 1.00 24.60 C ATOM 561 C ASN A 931 11.165 -11.900 18.219 1.00 24.66 C ATOM 562 O ASN A 931 10.772 -12.078 19.385 1.00 25.08 O ATOM 563 CB ASN A 931 13.327 -11.017 19.076 1.00 24.45 C ATOM 564 CG ASN A 931 14.717 -10.631 18.648 1.00 23.70 C ATOM 565 OD1 ASN A 931 14.953 -10.312 17.489 1.00 24.06 O ATOM 566 ND2 ASN A 931 15.650 -10.658 19.583 1.00 23.20 N ATOM 567 HA ASN A 931 12.797 -11.298 17.002 1.00 0.00 H ATOM 568 HB2 ASN A 931 13.000 -10.334 19.860 1.00 0.00 H ATOM 569 HB3 ASN A 931 13.351 -12.034 19.468 1.00 0.00 H ATOM 570 HD22 ASN A 931 15.404 -10.935 20.555 1.00 0.00 H ATOM 571 HD21 ASN A 931 16.630 -10.402 19.347 1.00 0.00 H ATOM 572 H ASN A 931 11.430 -9.038 18.423 1.00 0.00 H ATOM 573 N PHE A 932 10.624 -12.507 17.173 1.00 24.19 N ATOM 574 CA PHE A 932 9.529 -13.445 17.357 1.00 24.37 C ATOM 575 C PHE A 932 9.850 -14.554 18.355 1.00 24.47 C ATOM 576 O PHE A 932 10.932 -15.131 18.335 1.00 24.53 O ATOM 577 CB PHE A 932 9.085 -14.021 16.013 1.00 24.20 C ATOM 578 CG PHE A 932 8.468 -12.998 15.102 1.00 23.09 C ATOM 579 CD1 PHE A 932 9.167 -12.513 14.011 1.00 21.32 C ATOM 580 CD2 PHE A 932 7.195 -12.495 15.359 1.00 22.34 C ATOM 581 CE1 PHE A 932 8.606 -11.559 13.177 1.00 20.57 C ATOM 582 CE2 PHE A 932 6.627 -11.531 14.522 1.00 21.68 C ATOM 583 CZ PHE A 932 7.337 -11.064 13.429 1.00 20.55 C ATOM 584 HA PHE A 932 8.702 -12.882 17.790 1.00 0.00 H ATOM 585 HB2 PHE A 932 9.955 -14.448 15.515 1.00 0.00 H ATOM 586 HB3 PHE A 932 8.352 -14.806 16.198 1.00 0.00 H ATOM 587 HD2 PHE A 932 6.636 -12.857 16.222 1.00 0.00 H ATOM 588 HE2 PHE A 932 5.628 -11.148 14.729 1.00 0.00 H ATOM 589 HZ PHE A 932 6.901 -10.312 12.771 1.00 0.00 H ATOM 590 HE1 PHE A 932 9.167 -11.195 12.316 1.00 0.00 H ATOM 591 HD1 PHE A 932 10.170 -12.886 13.805 1.00 0.00 H ATOM 592 H PHE A 932 10.984 -12.312 16.217 1.00 0.00 H ATOM 593 N ASP A 933 8.901 -14.831 19.239 1.00 25.00 N ATOM 594 CA ASP A 933 9.066 -15.883 20.260 1.00 25.53 C ATOM 595 C ASP A 933 9.267 -17.282 19.625 1.00 25.26 C ATOM 596 O ASP A 933 9.312 -18.293 20.320 1.00 24.84 O ATOM 597 CB ASP A 933 7.888 -15.877 21.279 1.00 25.56 C ATOM 598 CG ASP A 933 7.809 -14.570 22.110 1.00 25.86 C ATOM 599 OD1 ASP A 933 8.186 -14.583 23.309 1.00 25.97 O ATOM 600 OD2 ASP A 933 7.353 -13.533 21.581 1.00 24.29 O ATOM 601 HA ASP A 933 9.977 -15.654 20.812 1.00 0.00 H ATOM 602 HB2 ASP A 933 6.954 -15.997 20.730 1.00 0.00 H ATOM 603 HB3 ASP A 933 8.016 -16.716 21.963 1.00 0.00 H ATOM 604 H ASP A 933 8.013 -14.290 19.212 1.00 0.00 H ATOM 605 N ASP A 934 9.390 -17.332 18.302 1.00 25.12 N ATOM 606 CA ASP A 934 9.709 -18.582 17.635 1.00 25.14 C ATOM 607 C ASP A 934 11.156 -18.579 17.172 1.00 25.03 C ATOM 608 O ASP A 934 11.539 -19.363 16.308 1.00 25.02 O ATOM 609 CB ASP A 934 8.771 -18.834 16.454 1.00 25.48 C ATOM 610 CG ASP A 934 9.115 -17.996 15.239 1.00 25.84 C ATOM 611 OD1 ASP A 934 8.728 -18.409 14.119 1.00 28.12 O ATOM 612 OD2 ASP A 934 9.761 -16.934 15.392 1.00 26.25 O ATOM 613 HA ASP A 934 9.571 -19.392 18.352 1.00 0.00 H ATOM 614 HB2 ASP A 934 8.832 -19.887 16.179 1.00 0.00 H ATOM 615 HB3 ASP A 934 7.752 -18.599 16.762 1.00 0.00 H ATOM 616 H ASP A 934 9.256 -16.468 17.739 1.00 0.00 H ATOM 617 N GLY A 935 11.941 -17.667 17.732 1.00 24.91 N ATOM 618 CA GLY A 935 13.367 -17.608 17.470 1.00 25.07 C ATOM 619 C GLY A 935 13.781 -16.987 16.152 1.00 25.37 C ATOM 620 O GLY A 935 14.967 -16.955 15.840 1.00 25.73 O ATOM 621 HA3 GLY A 935 13.752 -18.628 17.493 1.00 0.00 H ATOM 622 HA2 GLY A 935 13.828 -17.029 18.270 1.00 0.00 H ATOM 623 H GLY A 935 11.520 -16.971 18.380 1.00 0.00 H ATOM 624 N SER A 936 12.821 -16.513 15.366 1.00 25.56 N ATOM 625 CA SER A 936 13.142 -15.804 14.139 1.00 25.84 C ATOM 626 C SER A 936 13.004 -14.302 14.402 1.00 26.25 C ATOM 627 O SER A 936 12.900 -13.887 15.561 1.00 26.64 O ATOM 628 CB SER A 936 12.225 -16.239 13.010 1.00 25.65 C ATOM 629 OG SER A 936 10.952 -15.675 13.188 1.00 24.66 O ATOM 630 HA SER A 936 14.163 -16.034 13.835 1.00 0.00 H ATOM 631 HB2 SER A 936 12.143 -17.326 13.008 1.00 0.00 H ATOM 632 HB3 SER A 936 12.639 -15.906 12.058 1.00 0.00 H ATOM 633 HG SER A 936 10.576 -15.979 14.052 1.00 0.00 H ATOM 634 H SER A 936 11.825 -16.651 15.633 1.00 0.00 H ATOM 635 N PHE A 937 13.015 -13.500 13.333 1.00 26.38 N ATOM 636 CA PHE A 937 13.003 -12.034 13.438 1.00 26.53 C ATOM 637 C PHE A 937 12.478 -11.334 12.182 1.00 26.47 C ATOM 638 O PHE A 937 12.202 -11.964 11.166 1.00 26.59 O ATOM 639 CB PHE A 937 14.408 -11.500 13.802 1.00 27.07 C ATOM 640 CG PHE A 937 15.330 -11.262 12.611 1.00 26.93 C ATOM 641 CD1 PHE A 937 15.541 -9.971 12.120 1.00 27.29 C ATOM 642 CD2 PHE A 937 16.024 -12.317 12.025 1.00 26.35 C ATOM 643 CE1 PHE A 937 16.389 -9.751 11.029 1.00 26.81 C ATOM 644 CE2 PHE A 937 16.878 -12.105 10.943 1.00 26.02 C ATOM 645 CZ PHE A 937 17.060 -10.825 10.447 1.00 26.58 C ATOM 646 HA PHE A 937 12.303 -11.796 14.239 1.00 0.00 H ATOM 647 HB2 PHE A 937 14.285 -10.555 14.330 1.00 0.00 H ATOM 648 HB3 PHE A 937 14.886 -12.224 14.462 1.00 0.00 H ATOM 649 HD2 PHE A 937 15.898 -13.326 12.418 1.00 0.00 H ATOM 650 HE2 PHE A 937 17.402 -12.946 10.488 1.00 0.00 H ATOM 651 HZ PHE A 937 17.728 -10.658 9.602 1.00 0.00 H ATOM 652 HE1 PHE A 937 16.524 -8.743 10.636 1.00 0.00 H ATOM 653 HD1 PHE A 937 15.040 -9.126 12.592 1.00 0.00 H ATOM 654 H PHE A 937 13.033 -13.931 12.387 1.00 0.00 H ATOM 655 N SER A 938 12.337 -10.020 12.246 1.00 26.13 N ATOM 656 CA SER A 938 12.060 -9.280 11.038 1.00 26.19 C ATOM 657 C SER A 938 12.437 -7.831 11.228 1.00 25.58 C ATOM 658 O SER A 938 12.162 -7.252 12.268 1.00 26.23 O ATOM 659 CB SER A 938 10.592 -9.416 10.682 1.00 26.24 C ATOM 660 OG SER A 938 10.337 -8.785 9.445 1.00 28.53 O ATOM 661 HA SER A 938 12.653 -9.683 10.217 1.00 0.00 H ATOM 662 HB2 SER A 938 9.987 -8.948 11.458 1.00 0.00 H ATOM 663 HB3 SER A 938 10.334 -10.472 10.609 1.00 0.00 H ATOM 664 HG SER A 938 10.885 -9.211 8.739 1.00 0.00 H ATOM 665 H SER A 938 12.425 -9.526 13.157 1.00 0.00 H ATOM 666 N ASP A 939 13.090 -7.239 10.243 1.00 25.05 N ATOM 667 CA ASP A 939 13.384 -5.814 10.333 1.00 24.58 C ATOM 668 C ASP A 939 12.716 -5.025 9.225 1.00 24.25 C ATOM 669 O ASP A 939 12.990 -3.835 9.065 1.00 24.47 O ATOM 670 CB ASP A 939 14.886 -5.554 10.328 1.00 24.43 C ATOM 671 CG ASP A 939 15.589 -6.271 9.197 1.00 25.79 C ATOM 672 OD1 ASP A 939 14.921 -6.599 8.185 1.00 25.77 O ATOM 673 OD2 ASP A 939 16.813 -6.522 9.326 1.00 28.03 O ATOM 674 HA ASP A 939 12.975 -5.472 11.284 1.00 0.00 H ATOM 675 HB2 ASP A 939 15.056 -4.482 10.224 1.00 0.00 H ATOM 676 HB3 ASP A 939 15.304 -5.897 11.274 1.00 0.00 H ATOM 677 H ASP A 939 13.391 -7.785 9.411 1.00 0.00 H ATOM 678 N ASN A 940 11.862 -5.676 8.442 1.00 23.81 N ATOM 679 CA ASN A 940 11.136 -4.951 7.422 1.00 23.77 C ATOM 680 C ASN A 940 9.679 -4.690 7.829 1.00 23.77 C ATOM 681 O ASN A 940 8.770 -4.700 6.988 1.00 24.20 O ATOM 682 CB ASN A 940 11.285 -5.582 6.032 1.00 23.57 C ATOM 683 CG ASN A 940 10.735 -6.979 5.963 1.00 24.38 C ATOM 684 OD1 ASN A 940 10.867 -7.762 6.907 1.00 24.96 O ATOM 685 ND2 ASN A 940 10.115 -7.313 4.831 1.00 24.26 N ATOM 686 HA ASN A 940 11.600 -3.968 7.337 1.00 0.00 H ATOM 687 HB2 ASN A 940 10.754 -4.962 5.309 1.00 0.00 H ATOM 688 HB3 ASN A 940 12.344 -5.611 5.775 1.00 0.00 H ATOM 689 HD22 ASN A 940 10.028 -6.619 4.062 1.00 0.00 H ATOM 690 HD21 ASN A 940 9.719 -8.268 4.717 1.00 0.00 H ATOM 691 H ASN A 940 11.717 -6.699 8.562 1.00 0.00 H ATOM 692 N LEU A 941 9.485 -4.406 9.119 1.00 23.29 N ATOM 693 CA LEU A 941 8.165 -4.180 9.672 1.00 22.79 C ATOM 694 C LEU A 941 7.796 -2.729 9.785 1.00 22.58 C ATOM 695 O LEU A 941 8.523 -1.932 10.347 1.00 22.08 O ATOM 696 CB LEU A 941 8.024 -4.800 11.061 1.00 22.84 C ATOM 697 CG LEU A 941 7.623 -6.255 11.228 1.00 22.59 C ATOM 698 CD1 LEU A 941 7.336 -6.476 12.693 1.00 23.18 C ATOM 699 CD2 LEU A 941 6.405 -6.602 10.388 1.00 24.29 C ATOM 700 HA LEU A 941 7.490 -4.657 8.962 1.00 0.00 H ATOM 701 HB2 LEU A 941 8.991 -4.686 11.552 1.00 0.00 H ATOM 702 HB3 LEU A 941 7.277 -4.209 11.591 1.00 0.00 H ATOM 703 HG LEU A 941 8.430 -6.902 10.886 1.00 0.00 H ATOM 704 HD21 LEU A 941 5.565 -5.977 10.692 1.00 0.00 H ATOM 705 HD22 LEU A 941 6.629 -6.426 9.336 1.00 0.00 H ATOM 706 HD23 LEU A 941 6.150 -7.652 10.536 1.00 0.00 H ATOM 707 HD11 LEU A 941 8.231 -6.256 13.275 1.00 0.00 H ATOM 708 HD12 LEU A 941 6.526 -5.817 13.007 1.00 0.00 H ATOM 709 HD13 LEU A 941 7.044 -7.514 12.852 1.00 0.00 H ATOM 710 H LEU A 941 10.310 -4.345 9.749 1.00 0.00 H ATOM 711 N TYR A 942 6.609 -2.426 9.284 1.00 22.81 N ATOM 712 CA TYR A 942 6.003 -1.127 9.437 1.00 22.50 C ATOM 713 C TYR A 942 5.470 -1.001 10.843 1.00 21.87 C ATOM 714 O TYR A 942 4.883 -1.959 11.373 1.00 21.53 O ATOM 715 CB TYR A 942 4.858 -0.954 8.431 1.00 23.23 C ATOM 716 CG TYR A 942 5.299 -0.961 6.986 1.00 23.73 C ATOM 717 CD1 TYR A 942 4.676 -1.779 6.060 1.00 25.25 C ATOM 718 CD2 TYR A 942 6.353 -0.156 6.560 1.00 25.78 C ATOM 719 CE1 TYR A 942 5.078 -1.790 4.731 1.00 27.09 C ATOM 720 CE2 TYR A 942 6.769 -0.160 5.244 1.00 27.77 C ATOM 721 CZ TYR A 942 6.128 -0.979 4.328 1.00 27.93 C ATOM 722 OH TYR A 942 6.547 -0.983 3.008 1.00 29.59 O ATOM 723 HA TYR A 942 6.748 -0.354 9.251 1.00 0.00 H ATOM 724 HB3 TYR A 942 4.365 -0.003 8.634 1.00 0.00 H ATOM 725 HB2 TYR A 942 4.148 -1.769 8.576 1.00 0.00 H ATOM 726 HD2 TYR A 942 6.858 0.489 7.279 1.00 0.00 H ATOM 727 HE2 TYR A 942 7.596 0.476 4.927 1.00 0.00 H ATOM 728 HE1 TYR A 942 4.572 -2.432 4.010 1.00 0.00 H ATOM 729 HD1 TYR A 942 3.857 -2.424 6.379 1.00 0.00 H ATOM 730 HH TYR A 942 7.496 -1.263 2.965 1.00 0.00 H ATOM 731 H TYR A 942 6.091 -3.157 8.757 1.00 0.00 H ATOM 732 N PRO A 943 5.668 0.187 11.450 1.00 21.29 N ATOM 733 CA PRO A 943 5.195 0.557 12.787 1.00 21.00 C ATOM 734 C PRO A 943 3.736 0.210 13.071 1.00 20.77 C ATOM 735 O PRO A 943 3.395 -0.097 14.201 1.00 20.81 O ATOM 736 CB PRO A 943 5.406 2.068 12.808 1.00 20.98 C ATOM 737 CG PRO A 943 6.624 2.255 11.942 1.00 20.54 C ATOM 738 CD PRO A 943 6.446 1.279 10.831 1.00 20.98 C ATOM 739 HA PRO A 943 5.731 0.004 13.558 1.00 0.00 H ATOM 740 HD3 PRO A 943 5.897 1.727 10.003 1.00 0.00 H ATOM 741 HD2 PRO A 943 7.410 0.916 10.473 1.00 0.00 H ATOM 742 HG3 PRO A 943 7.533 2.039 12.503 1.00 0.00 H ATOM 743 HG2 PRO A 943 6.670 3.274 11.557 1.00 0.00 H ATOM 744 HB2 PRO A 943 4.545 2.590 12.390 1.00 0.00 H ATOM 745 HB3 PRO A 943 5.588 2.424 13.822 1.00 0.00 H ATOM 746 N GLU A 944 2.888 0.234 12.049 1.00 21.04 N ATOM 747 CA GLU A 944 1.467 -0.064 12.230 1.00 21.04 C ATOM 748 C GLU A 944 1.243 -1.519 12.609 1.00 21.24 C ATOM 749 O GLU A 944 0.212 -1.850 13.186 1.00 21.83 O ATOM 750 CB GLU A 944 0.649 0.288 10.992 1.00 20.52 C ATOM 751 CG GLU A 944 1.023 1.629 10.385 1.00 21.15 C ATOM 752 CD GLU A 944 2.000 1.493 9.218 1.00 21.77 C ATOM 753 OE1 GLU A 944 2.902 2.351 9.082 1.00 20.35 O ATOM 754 OE2 GLU A 944 1.859 0.528 8.429 1.00 21.94 O ATOM 755 HA GLU A 944 1.122 0.563 13.053 1.00 0.00 H ATOM 756 HB2 GLU A 944 0.806 -0.487 10.242 1.00 0.00 H ATOM 757 HB3 GLU A 944 -0.405 0.316 11.270 1.00 0.00 H ATOM 758 HG2 GLU A 944 0.116 2.116 10.027 1.00 0.00 H ATOM 759 HG3 GLU A 944 1.484 2.246 11.157 1.00 0.00 H ATOM 760 H GLU A 944 3.242 0.470 11.100 1.00 0.00 H ATOM 761 N ASP A 945 2.210 -2.386 12.316 1.00 21.22 N ATOM 762 CA ASP A 945 2.032 -3.813 12.610 1.00 20.99 C ATOM 763 C ASP A 945 2.256 -4.163 14.076 1.00 19.99 C ATOM 764 O ASP A 945 2.012 -5.297 14.449 1.00 20.33 O ATOM 765 CB ASP A 945 2.900 -4.717 11.712 1.00 21.44 C ATOM 766 CG ASP A 945 2.684 -4.477 10.195 1.00 23.11 C ATOM 767 OD1 ASP A 945 1.675 -3.824 9.779 1.00 22.01 O ATOM 768 OD2 ASP A 945 3.560 -4.963 9.419 1.00 25.16 O ATOM 769 HA ASP A 945 0.984 -4.010 12.384 1.00 0.00 H ATOM 770 HB2 ASP A 945 3.948 -4.530 11.945 1.00 0.00 H ATOM 771 HB3 ASP A 945 2.660 -5.757 11.934 1.00 0.00 H ATOM 772 H ASP A 945 3.092 -2.052 11.878 1.00 0.00 H ATOM 773 N ILE A 946 2.731 -3.221 14.894 1.00 19.25 N ATOM 774 CA ILE A 946 2.750 -3.426 16.357 1.00 18.63 C ATOM 775 C ILE A 946 1.380 -3.001 16.881 1.00 18.72 C ATOM 776 O ILE A 946 1.073 -1.815 16.941 1.00 18.93 O ATOM 777 CB ILE A 946 3.920 -2.691 17.141 1.00 18.35 C ATOM 778 CG1 ILE A 946 5.312 -3.043 16.581 1.00 16.42 C ATOM 779 CG2 ILE A 946 3.850 -2.991 18.659 1.00 16.38 C ATOM 780 CD1 ILE A 946 5.700 -4.483 16.700 1.00 14.97 C ATOM 781 HA ILE A 946 2.958 -4.480 16.541 1.00 0.00 H ATOM 782 HB ILE A 946 3.773 -1.621 16.992 1.00 0.00 H ATOM 783 HG12 ILE A 946 5.329 -2.775 15.525 1.00 0.00 H ATOM 784 HG13 ILE A 946 6.052 -2.449 17.117 1.00 0.00 H ATOM 785 HD11 ILE A 946 5.705 -4.771 17.751 1.00 0.00 H ATOM 786 HD12 ILE A 946 4.982 -5.098 16.157 1.00 0.00 H ATOM 787 HD13 ILE A 946 6.695 -4.626 16.278 1.00 0.00 H ATOM 788 HG21 ILE A 946 2.895 -2.644 19.053 1.00 0.00 H ATOM 789 HG22 ILE A 946 3.943 -4.065 18.820 1.00 0.00 H ATOM 790 HG23 ILE A 946 4.663 -2.474 19.168 1.00 0.00 H ATOM 791 H ILE A 946 3.093 -2.331 14.496 1.00 0.00 H ATOM 792 N VAL A 947 0.565 -3.992 17.234 1.00 18.28 N ATOM 793 CA VAL A 947 -0.837 -3.774 17.532 1.00 17.90 C ATOM 794 C VAL A 947 -1.074 -3.561 19.027 1.00 17.94 C ATOM 795 O VAL A 947 -2.167 -3.164 19.428 1.00 17.87 O ATOM 796 CB VAL A 947 -1.688 -4.982 17.052 1.00 18.13 C ATOM 797 CG1 VAL A 947 -1.349 -5.383 15.598 1.00 16.69 C ATOM 798 CG2 VAL A 947 -1.515 -6.171 17.996 1.00 18.18 C ATOM 799 HA VAL A 947 -1.140 -2.871 17.001 1.00 0.00 H ATOM 800 HB VAL A 947 -2.733 -4.673 17.068 1.00 0.00 H ATOM 801 HG11 VAL A 947 -1.546 -4.541 14.935 1.00 0.00 H ATOM 802 HG12 VAL A 947 -0.296 -5.659 15.535 1.00 0.00 H ATOM 803 HG13 VAL A 947 -1.967 -6.231 15.303 1.00 0.00 H ATOM 804 HG21 VAL A 947 -0.466 -6.465 18.020 1.00 0.00 H ATOM 805 HG22 VAL A 947 -1.837 -5.888 18.998 1.00 0.00 H ATOM 806 HG23 VAL A 947 -2.119 -7.006 17.641 1.00 0.00 H ATOM 807 H VAL A 947 0.947 -4.957 17.298 1.00 0.00 H ATOM 808 N SER A 948 -0.039 -3.841 19.826 1.00 17.81 N ATOM 809 CA SER A 948 -0.075 -3.831 21.286 1.00 17.61 C ATOM 810 C SER A 948 0.035 -2.434 21.916 1.00 17.93 C ATOM 811 O SER A 948 -0.452 -2.194 23.025 1.00 17.62 O ATOM 812 CB SER A 948 1.019 -4.759 21.837 1.00 17.88 C ATOM 813 OG SER A 948 2.329 -4.329 21.506 1.00 17.31 O ATOM 814 HA SER A 948 -1.063 -4.196 21.568 1.00 0.00 H ATOM 815 HB2 SER A 948 0.867 -5.757 21.427 1.00 0.00 H ATOM 816 HB3 SER A 948 0.929 -4.796 22.923 1.00 0.00 H ATOM 817 HG SER A 948 2.989 -4.962 21.886 1.00 0.00 H ATOM 818 H SER A 948 0.864 -4.085 19.371 1.00 0.00 H ATOM 819 N GLN A 949 0.680 -1.516 21.203 1.00 18.47 N ATOM 820 CA GLN A 949 0.726 -0.100 21.562 1.00 18.54 C ATOM 821 C GLN A 949 0.734 0.656 20.254 1.00 19.12 C ATOM 822 O GLN A 949 1.060 0.078 19.217 1.00 18.65 O ATOM 823 CB GLN A 949 1.993 0.226 22.348 1.00 18.59 C ATOM 824 CG GLN A 949 3.288 -0.389 21.761 1.00 17.86 C ATOM 825 CD GLN A 949 4.571 0.097 22.470 1.00 16.38 C ATOM 826 OE1 GLN A 949 4.993 1.241 22.296 1.00 14.37 O ATOM 827 NE2 GLN A 949 5.197 -0.786 23.243 1.00 14.65 N ATOM 828 HA GLN A 949 -0.122 0.169 22.191 1.00 0.00 H ATOM 829 HB2 GLN A 949 2.110 1.309 22.372 1.00 0.00 H ATOM 830 HB3 GLN A 949 1.869 -0.147 23.365 1.00 0.00 H ATOM 831 HG2 GLN A 949 3.230 -1.473 21.855 1.00 0.00 H ATOM 832 HG3 GLN A 949 3.352 -0.120 20.707 1.00 0.00 H ATOM 833 HE22 GLN A 949 4.806 -1.742 23.362 1.00 0.00 H ATOM 834 HE21 GLN A 949 6.078 -0.520 23.728 1.00 0.00 H ATOM 835 H GLN A 949 1.179 -1.822 20.343 1.00 0.00 H ATOM 836 N ASP A 950 0.356 1.939 20.287 1.00 20.11 N ATOM 837 CA ASP A 950 0.426 2.760 19.080 1.00 20.21 C ATOM 838 C ASP A 950 1.796 3.354 18.911 1.00 19.77 C ATOM 839 O ASP A 950 2.216 4.182 19.701 1.00 19.46 O ATOM 840 CB ASP A 950 -0.627 3.863 19.031 1.00 20.78 C ATOM 841 CG ASP A 950 -0.663 4.556 17.660 1.00 21.98 C ATOM 842 OD1 ASP A 950 0.430 4.811 17.099 1.00 20.62 O ATOM 843 OD2 ASP A 950 -1.774 4.823 17.135 1.00 24.56 O ATOM 844 HA ASP A 950 0.215 2.084 18.252 1.00 0.00 H ATOM 845 HB2 ASP A 950 -1.605 3.427 19.232 1.00 0.00 H ATOM 846 HB3 ASP A 950 -0.397 4.605 19.796 1.00 0.00 H ATOM 847 H ASP A 950 0.011 2.354 21.176 1.00 0.00 H ATOM 848 N CYS A 951 2.463 2.927 17.843 1.00 19.83 N ATOM 849 CA CYS A 951 3.817 3.353 17.543 1.00 19.69 C ATOM 850 C CYS A 951 3.817 4.353 16.405 1.00 19.74 C ATOM 851 O CYS A 951 4.804 5.065 16.188 1.00 19.64 O ATOM 852 CB CYS A 951 4.674 2.146 17.177 1.00 19.45 C ATOM 853 SG CYS A 951 4.709 0.874 18.461 1.00 19.12 S ATOM 854 HA CYS A 951 4.236 3.832 18.428 1.00 0.00 H ATOM 855 HB2 CYS A 951 5.694 2.487 17.000 1.00 0.00 H ATOM 856 HB3 CYS A 951 4.277 1.704 16.263 1.00 0.00 H ATOM 857 HG CYS A 951 3.427 0.418 18.690 1.00 0.00 H ATOM 858 H CYS A 951 1.995 2.260 17.196 1.00 0.00 H ATOM 859 N LEU A 952 2.707 4.392 15.679 1.00 19.55 N ATOM 860 CA LEU A 952 2.553 5.323 14.577 1.00 20.28 C ATOM 861 C LEU A 952 2.183 6.705 15.123 1.00 20.46 C ATOM 862 O LEU A 952 2.189 7.715 14.408 1.00 20.57 O ATOM 863 CB LEU A 952 1.469 4.815 13.639 1.00 20.41 C ATOM 864 CG LEU A 952 1.467 5.133 12.156 1.00 21.61 C ATOM 865 CD1 LEU A 952 0.050 4.849 11.684 1.00 23.96 C ATOM 866 CD2 LEU A 952 1.874 6.598 11.816 1.00 23.12 C ATOM 867 HA LEU A 952 3.490 5.404 14.026 1.00 0.00 H ATOM 868 HB2 LEU A 952 1.485 3.728 13.717 1.00 0.00 H ATOM 869 HB3 LEU A 952 0.525 5.193 14.032 1.00 0.00 H ATOM 870 HG LEU A 952 2.217 4.523 11.653 1.00 0.00 H ATOM 871 HD21 LEU A 952 1.177 7.287 12.292 1.00 0.00 H ATOM 872 HD22 LEU A 952 2.883 6.788 12.183 1.00 0.00 H ATOM 873 HD23 LEU A 952 1.846 6.740 10.736 1.00 0.00 H ATOM 874 HD11 LEU A 952 -0.190 3.802 11.868 1.00 0.00 H ATOM 875 HD12 LEU A 952 -0.648 5.484 12.230 1.00 0.00 H ATOM 876 HD13 LEU A 952 -0.025 5.058 10.617 1.00 0.00 H ATOM 877 H LEU A 952 1.929 3.740 15.905 1.00 0.00 H ATOM 878 N GLN A 953 1.886 6.731 16.415 1.00 20.74 N ATOM 879 CA GLN A 953 1.423 7.925 17.076 1.00 20.51 C ATOM 880 C GLN A 953 2.396 8.276 18.211 1.00 20.11 C ATOM 881 O GLN A 953 2.599 9.462 18.479 1.00 20.69 O ATOM 882 CB GLN A 953 -0.037 7.725 17.545 1.00 20.51 C ATOM 883 CG GLN A 953 -0.507 8.567 18.723 1.00 21.75 C ATOM 884 CD GLN A 953 -1.454 9.711 18.374 1.00 22.56 C ATOM 885 OE1 GLN A 953 -2.268 10.108 19.224 1.00 23.54 O ATOM 886 NE2 GLN A 953 -1.355 10.257 17.149 1.00 20.70 N ATOM 887 HA GLN A 953 1.410 8.776 16.395 1.00 0.00 H ATOM 888 HB2 GLN A 953 -0.688 7.950 16.700 1.00 0.00 H ATOM 889 HB3 GLN A 953 -0.153 6.677 17.823 1.00 0.00 H ATOM 890 HG2 GLN A 953 -1.019 7.908 19.424 1.00 0.00 H ATOM 891 HG3 GLN A 953 0.373 8.994 19.204 1.00 0.00 H ATOM 892 HE22 GLN A 953 -0.657 9.890 16.471 1.00 0.00 H ATOM 893 HE21 GLN A 953 -1.976 11.046 16.880 1.00 0.00 H ATOM 894 H GLN A 953 1.991 5.859 16.971 1.00 0.00 H ATOM 895 N PHE A 954 3.026 7.280 18.842 1.00 19.23 N ATOM 896 CA PHE A 954 3.887 7.564 20.018 1.00 19.15 C ATOM 897 C PHE A 954 5.383 7.239 19.907 1.00 19.43 C ATOM 898 O PHE A 954 6.152 7.593 20.810 1.00 19.46 O ATOM 899 CB PHE A 954 3.295 6.990 21.325 1.00 18.37 C ATOM 900 CG PHE A 954 1.937 7.517 21.629 1.00 17.20 C ATOM 901 CD1 PHE A 954 0.817 6.687 21.548 1.00 17.34 C ATOM 902 CD2 PHE A 954 1.760 8.865 21.947 1.00 15.88 C ATOM 903 CE1 PHE A 954 -0.463 7.191 21.785 1.00 16.07 C ATOM 904 CE2 PHE A 954 0.503 9.378 22.194 1.00 16.00 C ATOM 905 CZ PHE A 954 -0.616 8.541 22.111 1.00 17.04 C ATOM 906 HA PHE A 954 3.870 8.654 20.044 1.00 0.00 H ATOM 907 HB2 PHE A 954 3.234 5.906 21.232 1.00 0.00 H ATOM 908 HB3 PHE A 954 3.960 7.246 22.150 1.00 0.00 H ATOM 909 HD2 PHE A 954 2.628 9.522 22.001 1.00 0.00 H ATOM 910 HE2 PHE A 954 0.382 10.430 22.453 1.00 0.00 H ATOM 911 HZ PHE A 954 -1.611 8.944 22.301 1.00 0.00 H ATOM 912 HE1 PHE A 954 -1.333 6.539 21.716 1.00 0.00 H ATOM 913 HD1 PHE A 954 0.944 5.634 21.297 1.00 0.00 H ATOM 914 H PHE A 954 2.913 6.302 18.508 1.00 0.00 H ATOM 915 N GLY A 955 5.788 6.596 18.808 1.00 19.84 N ATOM 916 CA GLY A 955 7.184 6.203 18.589 1.00 19.87 C ATOM 917 C GLY A 955 7.443 4.747 18.918 1.00 20.31 C ATOM 918 O GLY A 955 6.540 4.032 19.332 1.00 20.72 O ATOM 919 HA3 GLY A 955 7.823 6.822 19.219 1.00 0.00 H ATOM 920 HA2 GLY A 955 7.434 6.373 17.542 1.00 0.00 H ATOM 921 H GLY A 955 5.084 6.365 18.078 1.00 0.00 H ATOM 922 N PRO A 956 8.684 4.289 18.725 1.00 20.98 N ATOM 923 CA PRO A 956 9.024 2.865 18.931 1.00 21.24 C ATOM 924 C PRO A 956 8.801 2.409 20.366 1.00 21.14 C ATOM 925 O PRO A 956 8.833 3.237 21.283 1.00 21.28 O ATOM 926 CB PRO A 956 10.531 2.817 18.638 1.00 21.51 C ATOM 927 CG PRO A 956 11.010 4.284 18.875 1.00 21.71 C ATOM 928 CD PRO A 956 9.858 5.077 18.301 1.00 21.22 C ATOM 929 HA PRO A 956 8.407 2.220 18.306 1.00 0.00 H ATOM 930 HD3 PRO A 956 9.827 6.084 18.716 1.00 0.00 H ATOM 931 HD2 PRO A 956 9.922 5.135 17.214 1.00 0.00 H ATOM 932 HG3 PRO A 956 11.939 4.490 18.343 1.00 0.00 H ATOM 933 HG2 PRO A 956 11.146 4.492 19.936 1.00 0.00 H ATOM 934 HB2 PRO A 956 11.036 2.130 19.317 1.00 0.00 H ATOM 935 HB3 PRO A 956 10.716 2.510 17.609 1.00 0.00 H ATOM 936 N PRO A 957 8.581 1.105 20.570 1.00 20.84 N ATOM 937 CA PRO A 957 8.579 0.558 21.909 1.00 21.27 C ATOM 938 C PRO A 957 9.946 0.743 22.552 1.00 21.65 C ATOM 939 O PRO A 957 10.930 0.995 21.837 1.00 22.26 O ATOM 940 CB PRO A 957 8.354 -0.941 21.679 1.00 21.43 C ATOM 941 CG PRO A 957 7.800 -1.074 20.352 1.00 20.87 C ATOM 942 CD PRO A 957 8.303 0.080 19.557 1.00 21.04 C ATOM 943 HA PRO A 957 7.837 1.029 22.553 1.00 0.00 H ATOM 944 HD3 PRO A 957 9.210 -0.187 19.015 1.00 0.00 H ATOM 945 HD2 PRO A 957 7.547 0.425 18.851 1.00 0.00 H ATOM 946 HG3 PRO A 957 6.711 -1.053 20.396 1.00 0.00 H ATOM 947 HG2 PRO A 957 8.126 -2.011 19.901 1.00 0.00 H ATOM 948 HB2 PRO A 957 9.299 -1.479 21.748 1.00 0.00 H ATOM 949 HB3 PRO A 957 7.658 -1.335 22.419 1.00 0.00 H ATOM 950 N ALA A 958 10.014 0.612 23.878 1.00 21.41 N ATOM 951 CA ALA A 958 11.292 0.461 24.569 1.00 21.27 C ATOM 952 C ALA A 958 12.018 -0.726 23.947 1.00 21.40 C ATOM 953 O ALA A 958 11.384 -1.640 23.390 1.00 21.51 O ATOM 954 CB ALA A 958 11.076 0.216 26.051 1.00 21.16 C ATOM 955 HA ALA A 958 11.881 1.372 24.465 1.00 0.00 H ATOM 956 HB1 ALA A 958 10.539 1.061 26.483 1.00 0.00 H ATOM 957 HB2 ALA A 958 10.492 -0.695 26.186 1.00 0.00 H ATOM 958 HB3 ALA A 958 12.042 0.107 26.544 1.00 0.00 H ATOM 959 H ALA A 958 9.135 0.618 24.434 1.00 0.00 H ATOM 960 N GLU A 959 13.343 -0.717 24.029 1.00 21.21 N ATOM 961 CA GLU A 959 14.108 -1.823 23.506 1.00 20.94 C ATOM 962 C GLU A 959 13.743 -3.051 24.336 1.00 20.43 C ATOM 963 O GLU A 959 13.379 -2.915 25.510 1.00 20.27 O ATOM 964 CB GLU A 959 15.585 -1.509 23.609 1.00 21.28 C ATOM 965 CG GLU A 959 16.449 -2.465 22.826 1.00 24.16 C ATOM 966 CD GLU A 959 17.600 -3.039 23.649 1.00 27.74 C ATOM 967 OE1 GLU A 959 18.285 -3.939 23.104 1.00 29.91 O ATOM 968 OE2 GLU A 959 17.814 -2.622 24.826 1.00 27.42 O ATOM 969 HA GLU A 959 13.885 -2.006 22.455 1.00 0.00 H ATOM 970 HB2 GLU A 959 15.753 -0.500 23.231 1.00 0.00 H ATOM 971 HB3 GLU A 959 15.878 -1.556 24.658 1.00 0.00 H ATOM 972 HG2 GLU A 959 15.827 -3.289 22.476 1.00 0.00 H ATOM 973 HG3 GLU A 959 16.865 -1.936 21.969 1.00 0.00 H ATOM 974 H GLU A 959 13.830 0.088 24.471 1.00 0.00 H ATOM 975 N GLY A 960 13.810 -4.240 23.731 1.00 19.99 N ATOM 976 CA GLY A 960 13.482 -5.498 24.427 1.00 19.13 C ATOM 977 C GLY A 960 12.054 -5.623 24.948 1.00 18.74 C ATOM 978 O GLY A 960 11.722 -6.596 25.637 1.00 19.05 O ATOM 979 HA3 GLY A 960 14.157 -5.594 25.277 1.00 0.00 H ATOM 980 HA2 GLY A 960 13.656 -6.319 23.732 1.00 0.00 H ATOM 981 H GLY A 960 14.104 -4.280 22.734 1.00 0.00 H ATOM 982 N GLU A 961 11.218 -4.637 24.617 1.00 18.04 N ATOM 983 CA GLU A 961 9.797 -4.591 24.992 1.00 16.96 C ATOM 984 C GLU A 961 9.025 -5.781 24.390 1.00 16.52 C ATOM 985 O GLU A 961 9.193 -6.129 23.203 1.00 15.77 O ATOM 986 CB GLU A 961 9.207 -3.270 24.489 1.00 16.58 C ATOM 987 CG GLU A 961 7.755 -3.047 24.772 1.00 17.24 C ATOM 988 CD GLU A 961 7.517 -1.889 25.725 1.00 18.17 C ATOM 989 OE1 GLU A 961 7.388 -2.158 26.940 1.00 18.97 O ATOM 990 OE2 GLU A 961 7.466 -0.720 25.271 1.00 16.50 O ATOM 991 HA GLU A 961 9.708 -4.657 26.076 1.00 0.00 H ATOM 992 HB2 GLU A 961 9.766 -2.457 24.953 1.00 0.00 H ATOM 993 HB3 GLU A 961 9.345 -3.233 23.408 1.00 0.00 H ATOM 994 HG2 GLU A 961 7.244 -2.837 23.832 1.00 0.00 H ATOM 995 HG3 GLU A 961 7.342 -3.954 25.214 1.00 0.00 H ATOM 996 H GLU A 961 11.597 -3.848 24.056 1.00 0.00 H ATOM 997 N VAL A 962 8.194 -6.412 25.218 1.00 15.86 N ATOM 998 CA VAL A 962 7.290 -7.473 24.747 1.00 14.90 C ATOM 999 C VAL A 962 6.211 -6.811 23.903 1.00 14.35 C ATOM 1000 O VAL A 962 5.611 -5.832 24.343 1.00 13.99 O ATOM 1001 CB VAL A 962 6.667 -8.234 25.937 1.00 14.73 C ATOM 1002 CG1 VAL A 962 5.837 -9.432 25.467 1.00 13.97 C ATOM 1003 CG2 VAL A 962 7.770 -8.680 26.885 1.00 14.83 C ATOM 1004 HA VAL A 962 7.840 -8.205 24.155 1.00 0.00 H ATOM 1005 HB VAL A 962 5.989 -7.561 26.462 1.00 0.00 H ATOM 1006 HG11 VAL A 962 5.031 -9.083 24.821 1.00 0.00 H ATOM 1007 HG12 VAL A 962 6.476 -10.120 24.914 1.00 0.00 H ATOM 1008 HG13 VAL A 962 5.415 -9.942 26.333 1.00 0.00 H ATOM 1009 HG21 VAL A 962 8.460 -9.336 26.354 1.00 0.00 H ATOM 1010 HG22 VAL A 962 8.307 -7.806 27.252 1.00 0.00 H ATOM 1011 HG23 VAL A 962 7.330 -9.217 27.725 1.00 0.00 H ATOM 1012 H VAL A 962 8.184 -6.148 26.224 1.00 0.00 H ATOM 1013 N VAL A 963 6.000 -7.313 22.683 1.00 13.99 N ATOM 1014 CA VAL A 963 5.080 -6.665 21.727 1.00 13.85 C ATOM 1015 C VAL A 963 4.212 -7.658 20.946 1.00 14.29 C ATOM 1016 O VAL A 963 4.644 -8.769 20.689 1.00 14.13 O ATOM 1017 CB VAL A 963 5.830 -5.741 20.706 1.00 13.09 C ATOM 1018 CG1 VAL A 963 6.526 -4.579 21.402 1.00 13.01 C ATOM 1019 CG2 VAL A 963 6.810 -6.523 19.861 1.00 12.07 C ATOM 1020 HA VAL A 963 4.427 -6.058 22.354 1.00 0.00 H ATOM 1021 HB VAL A 963 5.072 -5.326 20.042 1.00 0.00 H ATOM 1022 HG11 VAL A 963 5.786 -3.977 21.930 1.00 0.00 H ATOM 1023 HG12 VAL A 963 7.255 -4.967 22.113 1.00 0.00 H ATOM 1024 HG13 VAL A 963 7.033 -3.964 20.659 1.00 0.00 H ATOM 1025 HG21 VAL A 963 7.551 -6.994 20.508 1.00 0.00 H ATOM 1026 HG22 VAL A 963 6.274 -7.290 19.302 1.00 0.00 H ATOM 1027 HG23 VAL A 963 7.309 -5.847 19.167 1.00 0.00 H ATOM 1028 H VAL A 963 6.496 -8.182 22.400 1.00 0.00 H ATOM 1029 N GLN A 964 2.996 -7.245 20.571 1.00 14.95 N ATOM 1030 CA GLN A 964 2.173 -8.001 19.603 1.00 15.42 C ATOM 1031 C GLN A 964 2.275 -7.471 18.169 1.00 15.26 C ATOM 1032 O GLN A 964 2.143 -6.265 17.913 1.00 14.75 O ATOM 1033 CB GLN A 964 0.705 -8.069 20.043 1.00 15.68 C ATOM 1034 CG GLN A 964 0.238 -9.449 20.513 1.00 16.24 C ATOM 1035 CD GLN A 964 1.096 -10.034 21.627 1.00 17.62 C ATOM 1036 OE1 GLN A 964 1.771 -9.301 22.371 1.00 17.52 O ATOM 1037 NE2 GLN A 964 1.094 -11.371 21.736 1.00 17.66 N ATOM 1038 HA GLN A 964 2.587 -9.009 19.596 1.00 0.00 H ATOM 1039 HB2 GLN A 964 0.564 -7.366 20.864 1.00 0.00 H ATOM 1040 HB3 GLN A 964 0.084 -7.770 19.199 1.00 0.00 H ATOM 1041 HG2 GLN A 964 -0.786 -9.362 20.876 1.00 0.00 H ATOM 1042 HG3 GLN A 964 0.264 -10.131 19.663 1.00 0.00 H ATOM 1043 HE22 GLN A 964 0.513 -11.944 21.091 1.00 0.00 H ATOM 1044 HE21 GLN A 964 1.673 -11.834 22.465 1.00 0.00 H ATOM 1045 H GLN A 964 2.617 -6.364 20.973 1.00 0.00 H ATOM 1046 N VAL A 965 2.491 -8.387 17.231 1.00 15.19 N ATOM 1047 CA VAL A 965 2.794 -7.982 15.862 1.00 14.87 C ATOM 1048 C VAL A 965 1.956 -8.746 14.866 1.00 14.76 C ATOM 1049 O VAL A 965 1.923 -9.995 14.893 1.00 14.38 O ATOM 1050 CB VAL A 965 4.325 -8.082 15.534 1.00 14.82 C ATOM 1051 CG1 VAL A 965 4.929 -9.282 16.210 1.00 16.50 C ATOM 1052 CG2 VAL A 965 4.599 -8.151 14.037 1.00 14.43 C ATOM 1053 HA VAL A 965 2.529 -6.928 15.776 1.00 0.00 H ATOM 1054 HB VAL A 965 4.786 -7.170 15.913 1.00 0.00 H ATOM 1055 HG11 VAL A 965 4.802 -9.192 17.289 1.00 0.00 H ATOM 1056 HG12 VAL A 965 4.430 -10.185 15.858 1.00 0.00 H ATOM 1057 HG13 VAL A 965 5.991 -9.336 15.971 1.00 0.00 H ATOM 1058 HG21 VAL A 965 4.108 -9.030 13.619 1.00 0.00 H ATOM 1059 HG22 VAL A 965 4.211 -7.253 13.556 1.00 0.00 H ATOM 1060 HG23 VAL A 965 5.674 -8.219 13.868 1.00 0.00 H ATOM 1061 H VAL A 965 2.444 -9.397 17.474 1.00 0.00 H ATOM 1062 N ARG A 966 1.266 -7.976 14.018 1.00 14.23 N ATOM 1063 CA ARG A 966 0.587 -8.507 12.859 1.00 13.96 C ATOM 1064 C ARG A 966 1.617 -8.875 11.785 1.00 14.15 C ATOM 1065 O ARG A 966 2.310 -8.025 11.215 1.00 14.36 O ATOM 1066 CB ARG A 966 -0.429 -7.494 12.338 1.00 14.06 C ATOM 1067 CG ARG A 966 -1.495 -8.103 11.454 1.00 13.12 C ATOM 1068 CD ARG A 966 -2.490 -7.097 10.963 1.00 11.58 C ATOM 1069 NE ARG A 966 -3.260 -6.493 12.044 1.00 9.50 N ATOM 1070 CZ ARG A 966 -3.217 -5.201 12.368 1.00 10.28 C ATOM 1071 NH1 ARG A 966 -2.432 -4.360 11.708 1.00 9.13 N ATOM 1072 NH2 ARG A 966 -3.958 -4.744 13.371 1.00 11.94 N ATOM 1073 HA ARG A 966 0.043 -9.411 13.133 1.00 0.00 H ATOM 1074 HB2 ARG A 966 -0.917 -7.024 13.192 1.00 0.00 H ATOM 1075 HB3 ARG A 966 0.104 -6.736 11.763 1.00 0.00 H ATOM 1076 HG2 ARG A 966 -1.011 -8.563 10.592 1.00 0.00 H ATOM 1077 HG3 ARG A 966 -2.024 -8.867 12.023 1.00 0.00 H ATOM 1078 HD2 ARG A 966 -3.179 -7.593 10.279 1.00 0.00 H ATOM 1079 HD3 ARG A 966 -1.956 -6.309 10.432 1.00 0.00 H ATOM 1080 HE ARG A 966 -3.885 -7.112 12.599 1.00 0.00 H ATOM 1081 HH12 ARG A 966 -2.409 -3.354 11.972 1.00 0.00 H ATOM 1082 HH11 ARG A 966 -1.840 -4.706 10.926 1.00 0.00 H ATOM 1083 HH22 ARG A 966 -3.925 -3.736 13.625 1.00 0.00 H ATOM 1084 HH21 ARG A 966 -4.571 -5.394 13.903 1.00 0.00 H ATOM 1085 H ARG A 966 1.216 -6.953 14.200 1.00 0.00 H ATOM 1086 N TRP A 967 1.739 -10.169 11.543 1.00 14.45 N ATOM 1087 CA TRP A 967 2.609 -10.679 10.491 1.00 14.67 C ATOM 1088 C TRP A 967 1.925 -10.433 9.133 1.00 14.67 C ATOM 1089 O TRP A 967 0.828 -9.867 9.088 1.00 14.39 O ATOM 1090 CB TRP A 967 2.913 -12.161 10.743 1.00 14.24 C ATOM 1091 CG TRP A 967 3.863 -12.797 9.771 1.00 14.98 C ATOM 1092 CD1 TRP A 967 3.608 -13.880 8.978 1.00 15.03 C ATOM 1093 CD2 TRP A 967 5.217 -12.396 9.477 1.00 14.65 C ATOM 1094 NE1 TRP A 967 4.709 -14.179 8.209 1.00 14.60 N ATOM 1095 CE2 TRP A 967 5.710 -13.285 8.490 1.00 15.11 C ATOM 1096 CE3 TRP A 967 6.057 -11.378 9.947 1.00 14.39 C ATOM 1097 CZ2 TRP A 967 7.015 -13.186 7.961 1.00 13.18 C ATOM 1098 CZ3 TRP A 967 7.366 -11.290 9.424 1.00 14.23 C ATOM 1099 CH2 TRP A 967 7.825 -12.199 8.450 1.00 12.53 C ATOM 1100 HA TRP A 967 3.567 -10.160 10.486 1.00 0.00 H ATOM 1101 HB2 TRP A 967 3.342 -12.252 11.741 1.00 0.00 H ATOM 1102 HB3 TRP A 967 1.972 -12.709 10.702 1.00 0.00 H ATOM 1103 HE1 TRP A 967 4.772 -14.959 7.524 1.00 0.00 H ATOM 1104 HD1 TRP A 967 2.667 -14.429 8.958 1.00 0.00 H ATOM 1105 HZ2 TRP A 967 7.365 -13.872 7.190 1.00 0.00 H ATOM 1106 HH2 TRP A 967 8.846 -12.114 8.079 1.00 0.00 H ATOM 1107 HZ3 TRP A 967 8.033 -10.505 9.780 1.00 0.00 H ATOM 1108 HE3 TRP A 967 5.708 -10.670 10.699 1.00 0.00 H ATOM 1109 H TRP A 967 1.198 -10.843 12.121 1.00 0.00 H ATOM 1110 N THR A 968 2.581 -10.838 8.042 1.00 14.80 N ATOM 1111 CA THR A 968 2.158 -10.477 6.681 1.00 14.72 C ATOM 1112 C THR A 968 0.960 -11.301 6.224 1.00 14.87 C ATOM 1113 O THR A 968 0.403 -11.059 5.139 1.00 14.41 O ATOM 1114 CB THR A 968 3.302 -10.653 5.668 1.00 14.84 C ATOM 1115 OG1 THR A 968 3.834 -11.985 5.769 1.00 14.45 O ATOM 1116 CG2 THR A 968 4.410 -9.621 5.932 1.00 14.88 C ATOM 1117 HA THR A 968 1.872 -9.426 6.719 1.00 0.00 H ATOM 1118 HB THR A 968 2.914 -10.496 4.662 1.00 0.00 H ATOM 1119 HG1 THR A 968 4.570 -12.096 5.116 1.00 0.00 H ATOM 1120 HG23 THR A 968 3.995 -8.616 5.853 1.00 0.00 H ATOM 1121 HG21 THR A 968 4.813 -9.771 6.933 1.00 0.00 H ATOM 1122 HG22 THR A 968 5.204 -9.747 5.196 1.00 0.00 H ATOM 1123 H THR A 968 3.426 -11.433 8.160 1.00 0.00 H ATOM 1124 N ASP A 969 0.593 -12.289 7.047 1.00 14.69 N ATOM 1125 CA ASP A 969 -0.630 -13.051 6.848 1.00 14.79 C ATOM 1126 C ASP A 969 -1.743 -12.421 7.724 1.00 14.81 C ATOM 1127 O ASP A 969 -2.785 -13.049 8.013 1.00 15.34 O ATOM 1128 CB ASP A 969 -0.405 -14.541 7.159 1.00 14.30 C ATOM 1129 CG ASP A 969 0.001 -14.782 8.592 1.00 14.78 C ATOM 1130 OD1 ASP A 969 0.430 -13.823 9.254 1.00 16.39 O ATOM 1131 OD2 ASP A 969 -0.103 -15.932 9.074 1.00 15.17 O ATOM 1132 HA ASP A 969 -0.941 -13.007 5.804 1.00 0.00 H ATOM 1133 HB2 ASP A 969 -1.331 -15.082 6.963 1.00 0.00 H ATOM 1134 HB3 ASP A 969 0.381 -14.919 6.505 1.00 0.00 H ATOM 1135 H ASP A 969 1.203 -12.521 7.857 1.00 0.00 H ATOM 1136 N GLY A 970 -1.512 -11.171 8.131 1.00 13.93 N ATOM 1137 CA GLY A 970 -2.449 -10.448 8.973 1.00 13.24 C ATOM 1138 C GLY A 970 -2.784 -11.095 10.311 1.00 13.06 C ATOM 1139 O GLY A 970 -3.699 -10.615 10.988 1.00 12.75 O ATOM 1140 HA3 GLY A 970 -3.379 -10.334 8.416 1.00 0.00 H ATOM 1141 HA2 GLY A 970 -2.025 -9.464 9.175 1.00 0.00 H ATOM 1142 H GLY A 970 -0.633 -10.700 7.836 1.00 0.00 H ATOM 1143 N GLN A 971 -2.068 -12.173 10.687 1.00 12.42 N ATOM 1144 CA GLN A 971 -2.248 -12.838 12.002 1.00 12.42 C ATOM 1145 C GLN A 971 -1.225 -12.389 13.046 1.00 12.12 C ATOM 1146 O GLN A 971 -0.088 -12.103 12.713 1.00 12.18 O ATOM 1147 CB GLN A 971 -2.277 -14.376 11.868 1.00 12.21 C ATOM 1148 CG GLN A 971 -3.399 -14.875 10.948 1.00 12.74 C ATOM 1149 CD GLN A 971 -4.758 -14.227 11.253 1.00 11.82 C ATOM 1150 OE1 GLN A 971 -5.510 -14.719 12.091 1.00 13.73 O ATOM 1151 NE2 GLN A 971 -5.070 -13.128 10.577 1.00 9.32 N ATOM 1152 HA GLN A 971 -3.223 -12.516 12.368 1.00 0.00 H ATOM 1153 HB2 GLN A 971 -1.321 -14.708 11.463 1.00 0.00 H ATOM 1154 HB3 GLN A 971 -2.420 -14.809 12.858 1.00 0.00 H ATOM 1155 HG2 GLN A 971 -3.129 -14.648 9.916 1.00 0.00 H ATOM 1156 HG3 GLN A 971 -3.493 -15.954 11.069 1.00 0.00 H ATOM 1157 HE22 GLN A 971 -4.406 -12.743 9.876 1.00 0.00 H ATOM 1158 HE21 GLN A 971 -5.979 -12.652 10.749 1.00 0.00 H ATOM 1159 H GLN A 971 -1.360 -12.555 10.028 1.00 0.00 H ATOM 1160 N VAL A 972 -1.647 -12.322 14.307 1.00 12.34 N ATOM 1161 CA VAL A 972 -0.883 -11.628 15.365 1.00 12.67 C ATOM 1162 C VAL A 972 -0.012 -12.534 16.240 1.00 13.06 C ATOM 1163 O VAL A 972 -0.507 -13.436 16.900 1.00 12.88 O ATOM 1164 CB VAL A 972 -1.802 -10.777 16.277 1.00 12.28 C ATOM 1165 CG1 VAL A 972 -0.980 -9.828 17.133 1.00 11.98 C ATOM 1166 CG2 VAL A 972 -2.795 -9.995 15.439 1.00 12.43 C ATOM 1167 HA VAL A 972 -0.203 -10.985 14.807 1.00 0.00 H ATOM 1168 HB VAL A 972 -2.349 -11.451 16.936 1.00 0.00 H ATOM 1169 HG11 VAL A 972 -0.298 -10.404 17.758 1.00 0.00 H ATOM 1170 HG12 VAL A 972 -0.408 -9.161 16.488 1.00 0.00 H ATOM 1171 HG13 VAL A 972 -1.646 -9.241 17.765 1.00 0.00 H ATOM 1172 HG21 VAL A 972 -2.255 -9.335 14.760 1.00 0.00 H ATOM 1173 HG22 VAL A 972 -3.407 -10.688 14.863 1.00 0.00 H ATOM 1174 HG23 VAL A 972 -3.434 -9.402 16.094 1.00 0.00 H ATOM 1175 H VAL A 972 -2.549 -12.775 14.557 1.00 0.00 H ATOM 1176 N TYR A 973 1.289 -12.261 16.247 1.00 13.77 N ATOM 1177 CA TYR A 973 2.254 -13.095 16.945 1.00 14.20 C ATOM 1178 C TYR A 973 2.931 -12.316 18.050 1.00 14.89 C ATOM 1179 O TYR A 973 3.046 -11.075 17.980 1.00 15.42 O ATOM 1180 CB TYR A 973 3.312 -13.616 15.966 1.00 14.00 C ATOM 1181 CG TYR A 973 2.719 -14.458 14.878 1.00 14.23 C ATOM 1182 CD1 TYR A 973 2.434 -13.910 13.644 1.00 15.14 C ATOM 1183 CD2 TYR A 973 2.401 -15.805 15.094 1.00 15.83 C ATOM 1184 CE1 TYR A 973 1.850 -14.679 12.632 1.00 17.30 C ATOM 1185 CE2 TYR A 973 1.806 -16.586 14.087 1.00 15.73 C ATOM 1186 CZ TYR A 973 1.540 -16.008 12.869 1.00 15.60 C ATOM 1187 OH TYR A 973 0.987 -16.728 11.865 1.00 16.82 O ATOM 1188 HA TYR A 973 1.720 -13.939 17.382 1.00 0.00 H ATOM 1189 HB3 TYR A 973 4.035 -14.216 16.518 1.00 0.00 H ATOM 1190 HB2 TYR A 973 3.819 -12.764 15.513 1.00 0.00 H ATOM 1191 HD2 TYR A 973 2.619 -16.257 16.062 1.00 0.00 H ATOM 1192 HE2 TYR A 973 1.560 -17.632 14.270 1.00 0.00 H ATOM 1193 HE1 TYR A 973 1.639 -14.234 11.660 1.00 0.00 H ATOM 1194 HD1 TYR A 973 2.667 -12.862 13.455 1.00 0.00 H ATOM 1195 HH TYR A 973 0.870 -16.149 11.071 1.00 0.00 H ATOM 1196 H TYR A 973 1.628 -11.422 15.735 1.00 0.00 H ATOM 1197 N GLY A 974 3.375 -13.053 19.064 1.00 15.05 N ATOM 1198 CA GLY A 974 4.185 -12.499 20.131 1.00 15.35 C ATOM 1199 C GLY A 974 5.612 -12.315 19.658 1.00 15.56 C ATOM 1200 O GLY A 974 6.158 -13.187 18.982 1.00 15.29 O ATOM 1201 HA3 GLY A 974 4.172 -13.178 20.984 1.00 0.00 H ATOM 1202 HA2 GLY A 974 3.777 -11.534 20.430 1.00 0.00 H ATOM 1203 H GLY A 974 3.132 -14.064 19.093 1.00 0.00 H ATOM 1204 N ALA A 975 6.192 -11.159 20.010 1.00 16.36 N ATOM 1205 CA ALA A 975 7.604 -10.807 19.757 1.00 16.35 C ATOM 1206 C ALA A 975 8.250 -10.064 20.932 1.00 16.46 C ATOM 1207 O ALA A 975 7.836 -10.189 22.083 1.00 16.21 O ATOM 1208 CB ALA A 975 7.723 -9.980 18.507 1.00 16.61 C ATOM 1209 HA ALA A 975 8.141 -11.747 19.631 1.00 0.00 H ATOM 1210 HB1 ALA A 975 7.341 -10.549 17.659 1.00 0.00 H ATOM 1211 HB2 ALA A 975 7.144 -9.064 18.622 1.00 0.00 H ATOM 1212 HB3 ALA A 975 8.770 -9.730 18.337 1.00 0.00 H ATOM 1213 H ALA A 975 5.602 -10.456 20.499 1.00 0.00 H ATOM 1214 N LYS A 976 9.267 -9.280 20.604 1.00 17.03 N ATOM 1215 CA LYS A 976 10.152 -8.638 21.572 1.00 17.43 C ATOM 1216 C LYS A 976 10.949 -7.560 20.804 1.00 17.49 C ATOM 1217 O LYS A 976 11.782 -7.891 19.926 1.00 17.16 O ATOM 1218 CB LYS A 976 11.087 -9.685 22.195 1.00 17.35 C ATOM 1219 CG LYS A 976 11.580 -9.379 23.626 1.00 18.04 C ATOM 1220 CD LYS A 976 10.642 -9.929 24.727 1.00 18.35 C ATOM 1221 CE LYS A 976 10.707 -11.454 24.886 1.00 17.89 C ATOM 1222 NZ LYS A 976 9.868 -12.125 23.850 1.00 18.44 N ATOM 1223 HA LYS A 976 9.592 -8.180 22.387 1.00 0.00 H ATOM 1224 HB2 LYS A 976 10.555 -10.636 22.220 1.00 0.00 H ATOM 1225 HB3 LYS A 976 11.962 -9.777 21.552 1.00 0.00 H ATOM 1226 HG2 LYS A 976 12.566 -9.826 23.756 1.00 0.00 H ATOM 1227 HG3 LYS A 976 11.655 -8.298 23.743 1.00 0.00 H ATOM 1228 HD2 LYS A 976 10.920 -9.471 25.677 1.00 0.00 H ATOM 1229 HD3 LYS A 976 9.618 -9.652 24.477 1.00 0.00 H ATOM 1230 HE2 LYS A 976 10.342 -11.727 25.876 1.00 0.00 H ATOM 1231 HE3 LYS A 976 11.741 -11.782 24.778 1.00 0.00 H ATOM 1232 HZ1 LYS A 976 8.880 -11.816 23.952 1.00 0.00 H ATOM 1233 HZ2 LYS A 976 10.216 -11.869 22.904 1.00 0.00 H ATOM 1234 HZ3 LYS A 976 9.925 -13.156 23.974 1.00 0.00 H ATOM 1235 H LYS A 976 9.446 -9.111 19.593 1.00 0.00 H ATOM 1236 N PHE A 977 10.680 -6.282 21.113 1.00 17.65 N ATOM 1237 CA PHE A 977 11.194 -5.166 20.290 1.00 17.87 C ATOM 1238 C PHE A 977 12.712 -5.089 20.268 1.00 18.14 C ATOM 1239 O PHE A 977 13.340 -4.929 21.315 1.00 18.34 O ATOM 1240 CB PHE A 977 10.601 -3.814 20.704 1.00 17.65 C ATOM 1241 CG PHE A 977 11.002 -2.677 19.792 1.00 17.68 C ATOM 1242 CD1 PHE A 977 10.597 -2.654 18.455 1.00 16.56 C ATOM 1243 CD2 PHE A 977 11.812 -1.635 20.257 1.00 17.96 C ATOM 1244 CE1 PHE A 977 11.002 -1.606 17.593 1.00 15.12 C ATOM 1245 CE2 PHE A 977 12.207 -0.579 19.400 1.00 16.54 C ATOM 1246 CZ PHE A 977 11.799 -0.566 18.077 1.00 14.71 C ATOM 1247 HA PHE A 977 10.864 -5.388 19.275 1.00 0.00 H ATOM 1248 HB2 PHE A 977 9.514 -3.896 20.696 1.00 0.00 H ATOM 1249 HB3 PHE A 977 10.939 -3.583 21.714 1.00 0.00 H ATOM 1250 HD2 PHE A 977 12.144 -1.636 21.295 1.00 0.00 H ATOM 1251 HE2 PHE A 977 12.834 0.226 19.783 1.00 0.00 H ATOM 1252 HZ PHE A 977 12.097 0.250 17.418 1.00 0.00 H ATOM 1253 HE1 PHE A 977 10.691 -1.611 16.548 1.00 0.00 H ATOM 1254 HD1 PHE A 977 9.962 -3.452 18.071 1.00 0.00 H ATOM 1255 H PHE A 977 10.098 -6.072 21.949 1.00 0.00 H ATOM 1256 N VAL A 978 13.303 -5.216 19.082 1.00 18.29 N ATOM 1257 CA VAL A 978 14.744 -5.058 18.983 1.00 18.66 C ATOM 1258 C VAL A 978 15.079 -3.602 18.752 1.00 18.99 C ATOM 1259 O VAL A 978 15.719 -2.967 19.594 1.00 18.78 O ATOM 1260 CB VAL A 978 15.392 -5.947 17.888 1.00 18.55 C ATOM 1261 CG1 VAL A 978 16.778 -5.426 17.517 1.00 18.40 C ATOM 1262 CG2 VAL A 978 15.502 -7.365 18.380 1.00 18.61 C ATOM 1263 HA VAL A 978 15.166 -5.395 19.929 1.00 0.00 H ATOM 1264 HB VAL A 978 14.759 -5.915 17.001 1.00 0.00 H ATOM 1265 HG11 VAL A 978 16.693 -4.407 17.138 1.00 0.00 H ATOM 1266 HG12 VAL A 978 17.416 -5.434 18.400 1.00 0.00 H ATOM 1267 HG13 VAL A 978 17.211 -6.066 16.748 1.00 0.00 H ATOM 1268 HG21 VAL A 978 16.120 -7.390 19.277 1.00 0.00 H ATOM 1269 HG22 VAL A 978 14.507 -7.746 18.612 1.00 0.00 H ATOM 1270 HG23 VAL A 978 15.958 -7.982 17.606 1.00 0.00 H ATOM 1271 H VAL A 978 12.739 -5.426 18.234 1.00 0.00 H ATOM 1272 N ALA A 979 14.632 -3.081 17.612 1.00 19.55 N ATOM 1273 CA ALA A 979 15.153 -1.811 17.118 1.00 20.11 C ATOM 1274 C ALA A 979 14.261 -1.154 16.065 1.00 20.32 C ATOM 1275 O ALA A 979 13.380 -1.802 15.478 1.00 21.14 O ATOM 1276 CB ALA A 979 16.574 -2.011 16.575 1.00 20.45 C ATOM 1277 HA ALA A 979 15.171 -1.125 17.965 1.00 0.00 H ATOM 1278 HB1 ALA A 979 17.218 -2.380 17.373 1.00 0.00 H ATOM 1279 HB2 ALA A 979 16.552 -2.735 15.760 1.00 0.00 H ATOM 1280 HB3 ALA A 979 16.958 -1.060 16.207 1.00 0.00 H ATOM 1281 H ALA A 979 13.903 -3.585 17.067 1.00 0.00 H ATOM 1282 N SER A 980 14.485 0.139 15.858 1.00 20.29 N ATOM 1283 CA SER A 980 13.780 0.926 14.856 1.00 20.37 C ATOM 1284 C SER A 980 14.779 1.527 13.845 1.00 20.46 C ATOM 1285 O SER A 980 15.604 2.397 14.194 1.00 20.08 O ATOM 1286 CB SER A 980 12.962 2.020 15.551 1.00 20.73 C ATOM 1287 OG SER A 980 12.609 3.086 14.676 1.00 21.24 O ATOM 1288 HA SER A 980 13.097 0.283 14.300 1.00 0.00 H ATOM 1289 HB2 SER A 980 13.551 2.425 16.374 1.00 0.00 H ATOM 1290 HB3 SER A 980 12.048 1.575 15.944 1.00 0.00 H ATOM 1291 HG SER A 980 13.432 3.504 14.319 1.00 0.00 H ATOM 1292 H SER A 980 15.202 0.614 16.443 1.00 0.00 H ATOM 1293 N HIS A 981 14.671 1.048 12.597 1.00 20.60 N ATOM 1294 CA HIS A 981 15.585 1.361 11.496 1.00 20.52 C ATOM 1295 C HIS A 981 15.085 2.438 10.537 1.00 21.55 C ATOM 1296 O HIS A 981 14.293 2.166 9.607 1.00 21.06 O ATOM 1297 CB HIS A 981 15.923 0.099 10.721 1.00 20.28 C ATOM 1298 CG HIS A 981 16.648 -0.909 11.540 1.00 19.54 C ATOM 1299 ND1 HIS A 981 16.106 -2.133 11.859 1.00 19.56 N ATOM 1300 CD2 HIS A 981 17.847 -0.852 12.159 1.00 19.06 C ATOM 1301 CE1 HIS A 981 16.950 -2.797 12.622 1.00 18.62 C ATOM 1302 NE2 HIS A 981 18.014 -2.043 12.816 1.00 20.02 N ATOM 1303 HA HIS A 981 16.476 1.775 11.969 1.00 0.00 H ATOM 1304 HB2 HIS A 981 14.996 -0.347 10.361 1.00 0.00 H ATOM 1305 HB3 HIS A 981 16.548 0.370 9.870 1.00 0.00 H ATOM 1306 HD2 HIS A 981 18.548 -0.018 12.140 1.00 0.00 H ATOM 1307 HE1 HIS A 981 16.795 -3.798 13.024 1.00 0.00 H ATOM 1308 H HIS A 981 13.878 0.406 12.396 1.00 0.00 H ATOM 1309 N PRO A 982 15.560 3.675 10.753 1.00 22.46 N ATOM 1310 CA PRO A 982 15.232 4.824 9.912 1.00 23.02 C ATOM 1311 C PRO A 982 16.005 4.756 8.589 1.00 23.45 C ATOM 1312 O PRO A 982 17.222 4.992 8.563 1.00 23.63 O ATOM 1313 CB PRO A 982 15.710 6.014 10.757 1.00 23.25 C ATOM 1314 CG PRO A 982 15.982 5.441 12.162 1.00 22.89 C ATOM 1315 CD PRO A 982 16.456 4.057 11.858 1.00 22.58 C ATOM 1316 HA PRO A 982 14.177 4.881 9.645 1.00 0.00 H ATOM 1317 HD3 PRO A 982 17.500 4.053 11.544 1.00 0.00 H ATOM 1318 HD2 PRO A 982 16.334 3.397 12.716 1.00 0.00 H ATOM 1319 HG3 PRO A 982 15.073 5.424 12.764 1.00 0.00 H ATOM 1320 HG2 PRO A 982 16.749 6.016 12.681 1.00 0.00 H ATOM 1321 HB2 PRO A 982 16.621 6.439 10.336 1.00 0.00 H ATOM 1322 HB3 PRO A 982 14.939 6.783 10.802 1.00 0.00 H ATOM 1323 N ILE A 983 15.303 4.416 7.511 1.00 23.56 N ATOM 1324 CA ILE A 983 15.927 4.260 6.206 1.00 23.73 C ATOM 1325 C ILE A 983 15.486 5.356 5.243 1.00 23.98 C ATOM 1326 O ILE A 983 14.312 5.751 5.208 1.00 24.22 O ATOM 1327 CB ILE A 983 15.617 2.877 5.623 1.00 23.51 C ATOM 1328 CG1 ILE A 983 16.493 1.828 6.298 1.00 24.64 C ATOM 1329 CG2 ILE A 983 15.836 2.840 4.127 1.00 24.18 C ATOM 1330 CD1 ILE A 983 15.925 0.387 6.217 1.00 26.11 C ATOM 1331 HA ILE A 983 17.005 4.349 6.341 1.00 0.00 H ATOM 1332 HB ILE A 983 14.566 2.661 5.812 1.00 0.00 H ATOM 1333 HG12 ILE A 983 17.472 1.839 5.819 1.00 0.00 H ATOM 1334 HG13 ILE A 983 16.601 2.096 7.349 1.00 0.00 H ATOM 1335 HD11 ILE A 983 14.950 0.354 6.703 1.00 0.00 H ATOM 1336 HD12 ILE A 983 15.821 0.097 5.171 1.00 0.00 H ATOM 1337 HD13 ILE A 983 16.606 -0.299 6.720 1.00 0.00 H ATOM 1338 HG21 ILE A 983 15.184 3.570 3.647 1.00 0.00 H ATOM 1339 HG22 ILE A 983 16.876 3.081 3.907 1.00 0.00 H ATOM 1340 HG23 ILE A 983 15.606 1.843 3.752 1.00 0.00 H ATOM 1341 H ILE A 983 14.279 4.257 7.604 1.00 0.00 H ATOM 1342 N GLN A 984 16.449 5.840 4.468 1.00 24.12 N ATOM 1343 CA GLN A 984 16.192 6.769 3.390 1.00 24.48 C ATOM 1344 C GLN A 984 15.765 5.929 2.188 1.00 24.34 C ATOM 1345 O GLN A 984 16.497 5.038 1.753 1.00 24.57 O ATOM 1346 CB GLN A 984 17.454 7.591 3.112 1.00 24.56 C ATOM 1347 CG GLN A 984 17.375 8.522 1.933 1.00 27.22 C ATOM 1348 CD GLN A 984 16.228 9.524 2.032 1.00 31.33 C ATOM 1349 OE1 GLN A 984 16.214 10.398 2.915 1.00 34.15 O ATOM 1350 NE2 GLN A 984 15.256 9.407 1.115 1.00 31.78 N ATOM 1351 HA GLN A 984 15.405 7.483 3.633 1.00 0.00 H ATOM 1352 HB2 GLN A 984 17.668 8.189 3.998 1.00 0.00 H ATOM 1353 HB3 GLN A 984 18.276 6.896 2.937 1.00 0.00 H ATOM 1354 HG2 GLN A 984 18.312 9.074 1.864 1.00 0.00 H ATOM 1355 HG3 GLN A 984 17.238 7.927 1.030 1.00 0.00 H ATOM 1356 HE22 GLN A 984 15.309 8.660 0.394 1.00 0.00 H ATOM 1357 HE21 GLN A 984 14.450 10.064 1.125 1.00 0.00 H ATOM 1358 H GLN A 984 17.429 5.539 4.643 1.00 0.00 H ATOM 1359 N MET A 985 14.554 6.190 1.701 1.00 24.05 N ATOM 1360 CA MET A 985 13.970 5.472 0.575 1.00 23.71 C ATOM 1361 C MET A 985 13.979 6.388 -0.612 1.00 23.69 C ATOM 1362 O MET A 985 13.978 7.611 -0.469 1.00 23.70 O ATOM 1363 CB MET A 985 12.519 5.093 0.844 1.00 23.75 C ATOM 1364 CG MET A 985 12.286 4.292 2.085 1.00 23.97 C ATOM 1365 SD MET A 985 12.759 2.590 1.824 1.00 25.29 S ATOM 1366 CE MET A 985 11.326 1.980 0.917 1.00 24.68 C ATOM 1367 HA MET A 985 14.550 4.564 0.408 1.00 0.00 H ATOM 1368 HB2 MET A 985 11.940 6.013 0.923 1.00 0.00 H ATOM 1369 HB3 MET A 985 12.160 4.511 -0.005 1.00 0.00 H ATOM 1370 HG2 MET A 985 11.229 4.335 2.348 1.00 0.00 H ATOM 1371 HG3 MET A 985 12.879 4.709 2.899 1.00 0.00 H ATOM 1372 HE1 MET A 985 10.433 2.097 1.530 1.00 0.00 H ATOM 1373 HE2 MET A 985 11.212 2.549 -0.006 1.00 0.00 H ATOM 1374 HE3 MET A 985 11.470 0.926 0.680 1.00 0.00 H ATOM 1375 H MET A 985 13.996 6.945 2.147 1.00 0.00 H ATOM 1376 N TYR A 986 13.956 5.789 -1.794 1.00 23.92 N ATOM 1377 CA TYR A 986 14.067 6.543 -3.033 1.00 23.70 C ATOM 1378 C TYR A 986 12.894 6.229 -3.937 1.00 23.43 C ATOM 1379 O TYR A 986 12.731 5.097 -4.389 1.00 23.52 O ATOM 1380 CB TYR A 986 15.409 6.241 -3.718 1.00 23.55 C ATOM 1381 CG TYR A 986 16.617 6.604 -2.851 1.00 24.35 C ATOM 1382 CD1 TYR A 986 17.237 5.643 -2.044 1.00 25.49 C ATOM 1383 CD2 TYR A 986 17.123 7.920 -2.819 1.00 23.65 C ATOM 1384 CE1 TYR A 986 18.354 5.975 -1.224 1.00 26.99 C ATOM 1385 CE2 TYR A 986 18.230 8.266 -2.007 1.00 24.61 C ATOM 1386 CZ TYR A 986 18.845 7.289 -1.206 1.00 25.88 C ATOM 1387 OH TYR A 986 19.941 7.602 -0.402 1.00 24.18 O ATOM 1388 HA TYR A 986 14.041 7.610 -2.812 1.00 0.00 H ATOM 1389 HB3 TYR A 986 15.462 6.812 -4.645 1.00 0.00 H ATOM 1390 HB2 TYR A 986 15.452 5.176 -3.945 1.00 0.00 H ATOM 1391 HD2 TYR A 986 16.652 8.688 -3.433 1.00 0.00 H ATOM 1392 HE2 TYR A 986 18.605 9.289 -2.003 1.00 0.00 H ATOM 1393 HE1 TYR A 986 18.827 5.208 -0.611 1.00 0.00 H ATOM 1394 HD1 TYR A 986 16.858 4.621 -2.043 1.00 0.00 H ATOM 1395 HH TYR A 986 20.234 6.791 0.085 1.00 0.00 H ATOM 1396 H TYR A 986 13.856 4.755 -1.837 1.00 0.00 H ATOM 1397 N GLN A 987 12.047 7.224 -4.161 1.00 23.03 N ATOM 1398 CA GLN A 987 11.021 7.096 -5.171 1.00 22.95 C ATOM 1399 C GLN A 987 11.611 7.497 -6.525 1.00 23.34 C ATOM 1400 O GLN A 987 12.082 8.615 -6.721 1.00 23.60 O ATOM 1401 CB GLN A 987 9.782 7.926 -4.827 1.00 22.86 C ATOM 1402 CG GLN A 987 8.656 7.824 -5.859 1.00 21.66 C ATOM 1403 CD GLN A 987 7.533 8.789 -5.570 1.00 21.17 C ATOM 1404 OE1 GLN A 987 6.371 8.395 -5.542 1.00 22.25 O ATOM 1405 NE2 GLN A 987 7.867 10.058 -5.336 1.00 19.05 N ATOM 1406 HA GLN A 987 10.689 6.059 -5.216 1.00 0.00 H ATOM 1407 HB2 GLN A 987 9.398 7.586 -3.866 1.00 0.00 H ATOM 1408 HB3 GLN A 987 10.081 8.971 -4.748 1.00 0.00 H ATOM 1409 HG2 GLN A 987 9.063 8.043 -6.846 1.00 0.00 H ATOM 1410 HG3 GLN A 987 8.259 6.809 -5.848 1.00 0.00 H ATOM 1411 HE22 GLN A 987 8.865 10.348 -5.370 1.00 0.00 H ATOM 1412 HE21 GLN A 987 7.129 10.758 -5.119 1.00 0.00 H ATOM 1413 H GLN A 987 12.121 8.101 -3.607 1.00 0.00 H ATOM 1414 N VAL A 988 11.589 6.556 -7.450 1.00 23.65 N ATOM 1415 CA VAL A 988 12.108 6.762 -8.782 1.00 23.85 C ATOM 1416 C VAL A 988 10.935 6.805 -9.758 1.00 24.04 C ATOM 1417 O VAL A 988 9.778 6.632 -9.356 1.00 23.98 O ATOM 1418 CB VAL A 988 13.045 5.597 -9.177 1.00 23.81 C ATOM 1419 CG1 VAL A 988 14.206 5.510 -8.223 1.00 23.59 C ATOM 1420 CG2 VAL A 988 12.285 4.282 -9.196 1.00 23.39 C ATOM 1421 HA VAL A 988 12.669 7.696 -8.812 1.00 0.00 H ATOM 1422 HB VAL A 988 13.428 5.791 -10.179 1.00 0.00 H ATOM 1423 HG11 VAL A 988 14.768 6.443 -8.251 1.00 0.00 H ATOM 1424 HG12 VAL A 988 13.833 5.339 -7.213 1.00 0.00 H ATOM 1425 HG13 VAL A 988 14.855 4.685 -8.516 1.00 0.00 H ATOM 1426 HG21 VAL A 988 11.876 4.086 -8.205 1.00 0.00 H ATOM 1427 HG22 VAL A 988 11.473 4.344 -9.920 1.00 0.00 H ATOM 1428 HG23 VAL A 988 12.963 3.476 -9.476 1.00 0.00 H ATOM 1429 H VAL A 988 11.182 5.629 -7.210 1.00 0.00 H ATOM 1430 N GLU A 989 11.243 7.035 -11.036 1.00 23.89 N ATOM 1431 CA GLU A 989 10.242 6.933 -12.084 1.00 23.78 C ATOM 1432 C GLU A 989 10.859 6.449 -13.379 1.00 23.30 C ATOM 1433 O GLU A 989 11.946 6.885 -13.764 1.00 23.07 O ATOM 1434 CB GLU A 989 9.545 8.271 -12.302 1.00 24.03 C ATOM 1435 CG GLU A 989 8.405 8.221 -13.299 1.00 24.19 C ATOM 1436 CD GLU A 989 7.999 9.616 -13.755 1.00 26.33 C ATOM 1437 OE1 GLU A 989 8.085 9.870 -14.988 1.00 26.63 O ATOM 1438 OE2 GLU A 989 7.618 10.460 -12.886 1.00 24.96 O ATOM 1439 HA GLU A 989 9.499 6.203 -11.762 1.00 0.00 H ATOM 1440 HB2 GLU A 989 9.148 8.610 -11.345 1.00 0.00 H ATOM 1441 HB3 GLU A 989 10.284 8.987 -12.662 1.00 0.00 H ATOM 1442 HG2 GLU A 989 8.719 7.642 -14.167 1.00 0.00 H ATOM 1443 HG3 GLU A 989 7.547 7.737 -12.832 1.00 0.00 H ATOM 1444 H GLU A 989 12.219 7.292 -11.287 1.00 0.00 H ATOM 1445 N PHE A 990 10.138 5.554 -14.045 1.00 22.86 N ATOM 1446 CA PHE A 990 10.564 4.990 -15.311 1.00 22.48 C ATOM 1447 C PHE A 990 9.851 5.702 -16.454 1.00 22.75 C ATOM 1448 O PHE A 990 8.921 6.478 -16.243 1.00 22.78 O ATOM 1449 CB PHE A 990 10.268 3.485 -15.352 1.00 22.17 C ATOM 1450 CG PHE A 990 10.830 2.710 -14.181 1.00 21.46 C ATOM 1451 CD1 PHE A 990 10.170 2.688 -12.948 1.00 20.76 C ATOM 1452 CD2 PHE A 990 12.018 1.986 -14.312 1.00 21.09 C ATOM 1453 CE1 PHE A 990 10.692 1.958 -11.858 1.00 20.11 C ATOM 1454 CE2 PHE A 990 12.548 1.248 -13.221 1.00 20.09 C ATOM 1455 CZ PHE A 990 11.882 1.240 -12.000 1.00 19.61 C ATOM 1456 HA PHE A 990 11.639 5.130 -15.419 1.00 0.00 H ATOM 1457 HB2 PHE A 990 9.187 3.349 -15.365 1.00 0.00 H ATOM 1458 HB3 PHE A 990 10.695 3.077 -16.268 1.00 0.00 H ATOM 1459 HD2 PHE A 990 12.546 1.988 -15.266 1.00 0.00 H ATOM 1460 HE2 PHE A 990 13.476 0.688 -13.340 1.00 0.00 H ATOM 1461 HZ PHE A 990 12.286 0.677 -11.159 1.00 0.00 H ATOM 1462 HE1 PHE A 990 10.165 1.955 -10.904 1.00 0.00 H ATOM 1463 HD1 PHE A 990 9.239 3.242 -12.827 1.00 0.00 H ATOM 1464 H PHE A 990 9.231 5.245 -13.642 1.00 0.00 H ATOM 1465 N GLU A 991 10.302 5.406 -17.664 1.00 23.17 N ATOM 1466 CA GLU A 991 9.884 6.075 -18.897 1.00 23.29 C ATOM 1467 C GLU A 991 8.446 5.814 -19.238 1.00 22.70 C ATOM 1468 O GLU A 991 7.784 6.653 -19.842 1.00 22.70 O ATOM 1469 CB GLU A 991 10.749 5.573 -20.049 1.00 23.96 C ATOM 1470 CG GLU A 991 11.169 4.115 -19.863 1.00 26.25 C ATOM 1471 CD GLU A 991 12.311 3.707 -20.753 1.00 29.30 C ATOM 1472 OE1 GLU A 991 13.422 3.452 -20.203 1.00 30.81 O ATOM 1473 OE2 GLU A 991 12.083 3.636 -21.991 1.00 29.77 O ATOM 1474 HA GLU A 991 10.002 7.147 -18.741 1.00 0.00 H ATOM 1475 HB2 GLU A 991 10.184 5.660 -20.977 1.00 0.00 H ATOM 1476 HB3 GLU A 991 11.644 6.191 -20.111 1.00 0.00 H ATOM 1477 HG2 GLU A 991 11.470 3.971 -18.825 1.00 0.00 H ATOM 1478 HG3 GLU A 991 10.313 3.477 -20.084 1.00 0.00 H ATOM 1479 H GLU A 991 11.004 4.643 -17.744 1.00 0.00 H ATOM 1480 N ASP A 992 7.955 4.639 -18.869 1.00 22.48 N ATOM 1481 CA ASP A 992 6.520 4.378 -19.012 1.00 22.08 C ATOM 1482 C ASP A 992 5.714 5.156 -17.974 1.00 21.79 C ATOM 1483 O ASP A 992 4.507 5.193 -18.050 1.00 21.97 O ATOM 1484 CB ASP A 992 6.198 2.886 -18.938 1.00 21.84 C ATOM 1485 CG ASP A 992 6.491 2.282 -17.588 1.00 20.65 C ATOM 1486 OD1 ASP A 992 7.022 3.000 -16.715 1.00 21.55 O ATOM 1487 OD2 ASP A 992 6.196 1.080 -17.411 1.00 18.69 O ATOM 1488 HA ASP A 992 6.231 4.725 -20.004 1.00 0.00 H ATOM 1489 HB2 ASP A 992 5.139 2.748 -19.157 1.00 0.00 H ATOM 1490 HB3 ASP A 992 6.794 2.365 -19.688 1.00 0.00 H ATOM 1491 H ASP A 992 8.584 3.907 -18.481 1.00 0.00 H ATOM 1492 N GLY A 993 6.398 5.780 -17.021 1.00 21.33 N ATOM 1493 CA GLY A 993 5.739 6.622 -16.053 1.00 21.10 C ATOM 1494 C GLY A 993 5.488 5.911 -14.742 1.00 21.10 C ATOM 1495 O GLY A 993 4.870 6.473 -13.837 1.00 21.20 O ATOM 1496 HA3 GLY A 993 4.783 6.945 -16.464 1.00 0.00 H ATOM 1497 HA2 GLY A 993 6.365 7.494 -15.864 1.00 0.00 H ATOM 1498 H GLY A 993 7.430 5.659 -16.972 1.00 0.00 H ATOM 1499 N SER A 994 5.966 4.671 -14.628 1.00 21.06 N ATOM 1500 CA SER A 994 5.809 3.885 -13.403 1.00 20.22 C ATOM 1501 C SER A 994 6.685 4.456 -12.312 1.00 19.98 C ATOM 1502 O SER A 994 7.513 5.341 -12.556 1.00 20.23 O ATOM 1503 CB SER A 994 6.137 2.418 -13.643 1.00 20.16 C ATOM 1504 OG SER A 994 7.382 2.308 -14.303 1.00 20.38 O ATOM 1505 HA SER A 994 4.767 3.942 -13.088 1.00 0.00 H ATOM 1506 HB2 SER A 994 5.359 1.969 -14.260 1.00 0.00 H ATOM 1507 HB3 SER A 994 6.186 1.897 -12.687 1.00 0.00 H ATOM 1508 HG SER A 994 7.336 2.780 -15.172 1.00 0.00 H ATOM 1509 H SER A 994 6.467 4.249 -15.436 1.00 0.00 H ATOM 1510 N GLN A 995 6.471 3.982 -11.093 1.00 19.74 N ATOM 1511 CA GLN A 995 7.153 4.541 -9.940 1.00 19.53 C ATOM 1512 C GLN A 995 7.222 3.528 -8.811 1.00 19.74 C ATOM 1513 O GLN A 995 6.246 2.839 -8.509 1.00 19.88 O ATOM 1514 CB GLN A 995 6.415 5.770 -9.427 1.00 19.37 C ATOM 1515 CG GLN A 995 6.612 7.064 -10.169 1.00 17.65 C ATOM 1516 CD GLN A 995 5.800 8.145 -9.507 1.00 17.29 C ATOM 1517 OE1 GLN A 995 4.806 7.850 -8.824 1.00 18.00 O ATOM 1518 NE2 GLN A 995 6.215 9.397 -9.672 1.00 15.93 N ATOM 1519 HA GLN A 995 8.160 4.812 -10.257 1.00 0.00 H ATOM 1520 HB2 GLN A 995 5.349 5.542 -9.447 1.00 0.00 H ATOM 1521 HB3 GLN A 995 6.731 5.934 -8.397 1.00 0.00 H ATOM 1522 HG2 GLN A 995 7.667 7.338 -10.151 1.00 0.00 H ATOM 1523 HG3 GLN A 995 6.287 6.945 -11.202 1.00 0.00 H ATOM 1524 HE22 GLN A 995 7.054 9.594 -10.254 1.00 0.00 H ATOM 1525 HE21 GLN A 995 5.701 10.179 -9.219 1.00 0.00 H ATOM 1526 H GLN A 995 5.803 3.196 -10.960 1.00 0.00 H ATOM 1527 N LEU A 996 8.376 3.472 -8.166 1.00 19.80 N ATOM 1528 CA LEU A 996 8.568 2.568 -7.050 1.00 20.10 C ATOM 1529 C LEU A 996 9.430 3.226 -5.960 1.00 20.51 C ATOM 1530 O LEU A 996 10.403 3.912 -6.244 1.00 20.28 O ATOM 1531 CB LEU A 996 9.158 1.214 -7.515 1.00 19.62 C ATOM 1532 CG LEU A 996 8.311 0.221 -8.334 1.00 18.68 C ATOM 1533 CD1 LEU A 996 9.101 -1.023 -8.649 1.00 18.64 C ATOM 1534 CD2 LEU A 996 6.992 -0.189 -7.687 1.00 18.68 C ATOM 1535 HA LEU A 996 7.592 2.354 -6.614 1.00 0.00 H ATOM 1536 HB2 LEU A 996 10.034 1.448 -8.120 1.00 0.00 H ATOM 1537 HB3 LEU A 996 9.471 0.686 -6.614 1.00 0.00 H ATOM 1538 HG LEU A 996 8.057 0.768 -9.242 1.00 0.00 H ATOM 1539 HD21 LEU A 996 7.192 -0.666 -6.728 1.00 0.00 H ATOM 1540 HD22 LEU A 996 6.374 0.696 -7.532 1.00 0.00 H ATOM 1541 HD23 LEU A 996 6.470 -0.889 -8.340 1.00 0.00 H ATOM 1542 HD11 LEU A 996 9.985 -0.754 -9.227 1.00 0.00 H ATOM 1543 HD12 LEU A 996 9.406 -1.503 -7.719 1.00 0.00 H ATOM 1544 HD13 LEU A 996 8.482 -1.708 -9.228 1.00 0.00 H ATOM 1545 H LEU A 996 9.159 4.088 -8.465 1.00 0.00 H ATOM 1546 N VAL A 997 9.034 3.025 -4.711 1.00 21.09 N ATOM 1547 CA VAL A 997 9.791 3.513 -3.592 1.00 21.96 C ATOM 1548 C VAL A 997 10.766 2.408 -3.321 1.00 23.17 C ATOM 1549 O VAL A 997 10.382 1.232 -3.347 1.00 23.46 O ATOM 1550 CB VAL A 997 8.875 3.726 -2.403 1.00 21.86 C ATOM 1551 CG1 VAL A 997 9.601 4.434 -1.299 1.00 21.74 C ATOM 1552 CG2 VAL A 997 7.656 4.552 -2.839 1.00 22.02 C ATOM 1553 HA VAL A 997 10.281 4.468 -3.782 1.00 0.00 H ATOM 1554 HB VAL A 997 8.546 2.755 -2.033 1.00 0.00 H ATOM 1555 HG11 VAL A 997 10.455 3.835 -0.985 1.00 0.00 H ATOM 1556 HG12 VAL A 997 9.948 5.403 -1.657 1.00 0.00 H ATOM 1557 HG13 VAL A 997 8.926 4.577 -0.455 1.00 0.00 H ATOM 1558 HG21 VAL A 997 7.990 5.517 -3.219 1.00 0.00 H ATOM 1559 HG22 VAL A 997 7.118 4.018 -3.622 1.00 0.00 H ATOM 1560 HG23 VAL A 997 6.998 4.705 -1.984 1.00 0.00 H ATOM 1561 H VAL A 997 8.153 2.501 -4.537 1.00 0.00 H ATOM 1562 N VAL A 998 12.030 2.762 -3.097 1.00 24.48 N ATOM 1563 CA VAL A 998 13.085 1.744 -3.035 1.00 25.91 C ATOM 1564 C VAL A 998 14.276 2.083 -2.096 1.00 27.21 C ATOM 1565 O VAL A 998 14.466 3.238 -1.678 1.00 26.85 O ATOM 1566 CB VAL A 998 13.533 1.310 -4.497 1.00 25.58 C ATOM 1567 CG1 VAL A 998 14.284 2.400 -5.192 1.00 25.17 C ATOM 1568 CG2 VAL A 998 14.370 0.044 -4.482 1.00 26.52 C ATOM 1569 HA VAL A 998 12.638 0.877 -2.549 1.00 0.00 H ATOM 1570 HB VAL A 998 12.615 1.110 -5.050 1.00 0.00 H ATOM 1571 HG11 VAL A 998 13.648 3.282 -5.275 1.00 0.00 H ATOM 1572 HG12 VAL A 998 15.177 2.647 -4.618 1.00 0.00 H ATOM 1573 HG13 VAL A 998 14.572 2.063 -6.188 1.00 0.00 H ATOM 1574 HG21 VAL A 998 15.267 0.210 -3.885 1.00 0.00 H ATOM 1575 HG22 VAL A 998 13.789 -0.769 -4.048 1.00 0.00 H ATOM 1576 HG23 VAL A 998 14.653 -0.215 -5.502 1.00 0.00 H ATOM 1577 H VAL A 998 12.271 3.765 -2.965 1.00 0.00 H ATOM 1578 N LYS A 999 15.075 1.068 -1.783 1.00 28.95 N ATOM 1579 CA LYS A 999 16.244 1.229 -0.924 1.00 30.67 C ATOM 1580 C LYS A 999 17.582 1.482 -1.645 1.00 31.25 C ATOM 1581 O LYS A 999 17.835 2.570 -2.125 1.00 31.04 O ATOM 1582 CB LYS A 999 16.380 0.032 0.025 1.00 30.80 C ATOM 1583 CG LYS A 999 15.126 -0.300 0.803 1.00 31.57 C ATOM 1584 CD LYS A 999 15.455 -0.742 2.214 1.00 33.60 C ATOM 1585 CE LYS A 999 15.876 -2.213 2.268 1.00 35.99 C ATOM 1586 NZ LYS A 999 16.672 -2.552 3.516 1.00 36.74 N ATOM 1587 HA LYS A 999 16.047 2.147 -0.371 1.00 0.00 H ATOM 1588 HB2 LYS A 999 16.655 -0.841 -0.566 1.00 0.00 H ATOM 1589 HB3 LYS A 999 17.175 0.251 0.738 1.00 0.00 H ATOM 1590 HG2 LYS A 999 14.490 0.584 0.847 1.00 0.00 H ATOM 1591 HG3 LYS A 999 14.594 -1.104 0.294 1.00 0.00 H ATOM 1592 HD2 LYS A 999 16.271 -0.127 2.595 1.00 0.00 H ATOM 1593 HD3 LYS A 999 14.574 -0.604 2.841 1.00 0.00 H ATOM 1594 HE2 LYS A 999 16.489 -2.433 1.394 1.00 0.00 H ATOM 1595 HE3 LYS A 999 14.980 -2.833 2.247 1.00 0.00 H ATOM 1596 HZ1 LYS A 999 17.535 -1.973 3.543 1.00 0.00 H ATOM 1597 HZ2 LYS A 999 16.094 -2.355 4.358 1.00 0.00 H ATOM 1598 HZ3 LYS A 999 16.929 -3.559 3.498 1.00 0.00 H ATOM 1599 H LYS A 999 14.859 0.125 -2.164 1.00 0.00 H ATOM 1600 N ARG A1000 18.430 0.463 -1.691 1.00 32.32 N ATOM 1601 CA ARG A1000 19.856 0.666 -1.475 1.00 33.42 C ATOM 1602 C ARG A1000 20.354 1.976 -2.090 1.00 33.97 C ATOM 1603 O ARG A1000 20.674 2.912 -1.355 1.00 34.22 O ATOM 1604 CB ARG A1000 20.652 -0.557 -1.925 1.00 33.56 C ATOM 1605 CG ARG A1000 20.980 -1.526 -0.812 1.00 35.00 C ATOM 1606 CD ARG A1000 22.081 -2.498 -1.197 1.00 37.78 C ATOM 1607 NE ARG A1000 21.567 -3.806 -1.609 1.00 40.12 N ATOM 1608 CZ ARG A1000 21.218 -4.138 -2.850 1.00 39.81 C ATOM 1609 NH1 ARG A1000 21.311 -3.262 -3.835 1.00 39.68 N ATOM 1610 NH2 ARG A1000 20.763 -5.353 -3.109 1.00 38.44 N ATOM 1611 HA ARG A1000 20.024 0.773 -0.403 1.00 0.00 H ATOM 1612 HB2 ARG A1000 20.069 -1.086 -2.679 1.00 0.00 H ATOM 1613 HB3 ARG A1000 21.588 -0.213 -2.366 1.00 0.00 H ATOM 1614 HG2 ARG A1000 21.302 -0.960 0.062 1.00 0.00 H ATOM 1615 HG3 ARG A1000 20.082 -2.093 -0.565 1.00 0.00 H ATOM 1616 HD2 ARG A1000 22.739 -2.637 -0.339 1.00 0.00 H ATOM 1617 HD3 ARG A1000 22.649 -2.071 -2.023 1.00 0.00 H ATOM 1618 HE ARG A1000 21.467 -4.534 -0.873 1.00 0.00 H ATOM 1619 HH12 ARG A1000 21.035 -3.534 -4.800 1.00 0.00 H ATOM 1620 HH11 ARG A1000 21.660 -2.301 -3.645 1.00 0.00 H ATOM 1621 HH22 ARG A1000 20.491 -5.611 -4.079 1.00 0.00 H ATOM 1622 HH21 ARG A1000 20.677 -6.051 -2.342 1.00 0.00 H ATOM 1623 H ARG A1000 18.072 -0.494 -1.884 1.00 0.00 H ATOM 1624 N ASP A1001 20.432 2.079 -3.418 1.00 34.78 N ATOM 1625 CA ASP A1001 21.281 1.238 -4.301 1.00 35.28 C ATOM 1626 C ASP A1001 20.807 -0.220 -4.415 1.00 35.22 C ATOM 1627 O ASP A1001 21.569 -1.110 -4.780 1.00 35.23 O ATOM 1628 CB ASP A1001 22.807 1.375 -3.994 1.00 35.48 C ATOM 1629 CG ASP A1001 23.401 2.752 -4.442 1.00 35.19 C ATOM 1630 OD1 ASP A1001 23.851 2.881 -5.600 1.00 33.23 O ATOM 1631 OD2 ASP A1001 23.486 3.725 -3.642 1.00 34.44 O ATOM 1632 HA ASP A1001 21.146 1.649 -5.301 1.00 0.00 H ATOM 1633 HB2 ASP A1001 22.957 1.265 -2.920 1.00 0.00 H ATOM 1634 HB3 ASP A1001 23.339 0.580 -4.517 1.00 0.00 H ATOM 1635 H ASP A1001 19.849 2.810 -3.874 1.00 0.00 H ATOM 1636 N ASP A1002 19.536 -0.435 -4.081 1.00 34.98 N ATOM 1637 CA ASP A1002 18.617 -1.100 -4.993 1.00 34.95 C ATOM 1638 C ASP A1002 18.341 -0.153 -6.141 1.00 34.77 C ATOM 1639 O ASP A1002 17.656 -0.492 -7.103 1.00 34.60 O ATOM 1640 CB ASP A1002 17.330 -1.445 -4.284 1.00 34.97 C ATOM 1641 CG ASP A1002 17.447 -2.704 -3.508 1.00 36.06 C ATOM 1642 OD1 ASP A1002 17.694 -3.744 -4.151 1.00 36.21 O ATOM 1643 OD2 ASP A1002 17.331 -2.706 -2.263 1.00 36.89 O ATOM 1644 HA ASP A1002 19.056 -2.028 -5.360 1.00 0.00 H ATOM 1645 HB2 ASP A1002 17.074 -0.633 -3.603 1.00 0.00 H ATOM 1646 HB3 ASP A1002 16.539 -1.559 -5.025 1.00 0.00 H ATOM 1647 H ASP A1002 19.193 -0.122 -3.150 1.00 0.00 H ATOM 1648 N VAL A1003 18.892 1.045 -5.994 1.00 34.56 N ATOM 1649 CA VAL A1003 19.085 1.996 -7.062 1.00 34.51 C ATOM 1650 C VAL A1003 20.570 2.157 -7.354 1.00 34.73 C ATOM 1651 O VAL A1003 21.216 3.025 -6.781 1.00 34.88 O ATOM 1652 CB VAL A1003 18.552 3.379 -6.678 1.00 34.57 C ATOM 1653 CG1 VAL A1003 17.094 3.472 -6.994 1.00 35.08 C ATOM 1654 CG2 VAL A1003 18.814 3.708 -5.208 1.00 33.92 C ATOM 1655 HA VAL A1003 18.548 1.615 -7.931 1.00 0.00 H ATOM 1656 HB VAL A1003 19.091 4.119 -7.269 1.00 0.00 H ATOM 1657 HG11 VAL A1003 16.944 3.314 -8.062 1.00 0.00 H ATOM 1658 HG12 VAL A1003 16.553 2.710 -6.433 1.00 0.00 H ATOM 1659 HG13 VAL A1003 16.726 4.460 -6.717 1.00 0.00 H ATOM 1660 HG21 VAL A1003 18.322 2.967 -4.578 1.00 0.00 H ATOM 1661 HG22 VAL A1003 19.887 3.693 -5.019 1.00 0.00 H ATOM 1662 HG23 VAL A1003 18.418 4.698 -4.983 1.00 0.00 H ATOM 1663 H VAL A1003 19.207 1.318 -5.041 1.00 0.00 H ATOM 1664 N TYR A1004 21.108 1.324 -8.243 1.00 34.91 N ATOM 1665 CA TYR A1004 22.503 1.438 -8.667 1.00 35.06 C ATOM 1666 C TYR A1004 22.789 2.737 -9.439 1.00 34.98 C ATOM 1667 O TYR A1004 21.904 3.301 -10.093 1.00 34.64 O ATOM 1668 CB TYR A1004 22.892 0.234 -9.510 1.00 35.30 C ATOM 1669 CG TYR A1004 22.505 -1.064 -8.886 1.00 36.66 C ATOM 1670 CD1 TYR A1004 21.198 -1.548 -9.006 1.00 38.25 C ATOM 1671 CD2 TYR A1004 23.431 -1.810 -8.152 1.00 37.83 C ATOM 1672 CE1 TYR A1004 20.819 -2.762 -8.426 1.00 39.01 C ATOM 1673 CE2 TYR A1004 23.066 -3.024 -7.560 1.00 38.92 C ATOM 1674 CZ TYR A1004 21.756 -3.498 -7.711 1.00 39.24 C ATOM 1675 OH TYR A1004 21.371 -4.700 -7.150 1.00 39.24 O ATOM 1676 HA TYR A1004 23.108 1.468 -7.761 1.00 0.00 H ATOM 1677 HB3 TYR A1004 23.973 0.243 -9.651 1.00 0.00 H ATOM 1678 HB2 TYR A1004 22.399 0.314 -10.479 1.00 0.00 H ATOM 1679 HD2 TYR A1004 24.451 -1.441 -8.039 1.00 0.00 H ATOM 1680 HE2 TYR A1004 23.795 -3.596 -6.986 1.00 0.00 H ATOM 1681 HE1 TYR A1004 19.798 -3.128 -8.534 1.00 0.00 H ATOM 1682 HD1 TYR A1004 20.462 -0.968 -9.562 1.00 0.00 H ATOM 1683 HH TYR A1004 20.418 -4.870 -7.359 1.00 0.00 H ATOM 1684 H TYR A1004 20.518 0.569 -8.648 1.00 0.00 H ATOM 1685 N THR A1005 24.047 3.181 -9.381 1.00 34.90 N ATOM 1686 CA THR A1005 24.406 4.523 -9.820 1.00 34.53 C ATOM 1687 C THR A1005 25.586 4.558 -10.802 1.00 34.45 C ATOM 1688 O THR A1005 26.225 3.533 -11.071 1.00 34.13 O ATOM 1689 CB THR A1005 24.684 5.413 -8.587 1.00 34.58 C ATOM 1690 OG1 THR A1005 24.446 6.782 -8.919 1.00 34.46 O ATOM 1691 CG2 THR A1005 26.127 5.229 -8.052 1.00 34.64 C ATOM 1692 HA THR A1005 23.555 4.914 -10.377 1.00 0.00 H ATOM 1693 HB THR A1005 24.005 5.107 -7.791 1.00 0.00 H ATOM 1694 HG1 THR A1005 24.625 7.348 -8.127 1.00 0.00 H ATOM 1695 HG23 THR A1005 26.290 4.180 -7.804 1.00 0.00 H ATOM 1696 HG21 THR A1005 26.839 5.538 -8.817 1.00 0.00 H ATOM 1697 HG22 THR A1005 26.263 5.840 -7.160 1.00 0.00 H ATOM 1698 H THR A1005 24.790 2.553 -9.013 1.00 0.00 H TER 1699 THR A1005 HETATM 1700 O HOH 1 10.568 5.850 21.877 1.00 2.00 O HETATM 1701 O HOH 2 0.864 2.051 15.200 1.00 13.14 O HETATM 1702 O HOH 3 12.511 7.806 -16.122 1.00 12.46 O HETATM 1703 O HOH 4 -1.289 -7.741 8.185 1.00 12.34 O HETATM 1704 O HOH 5 24.022 14.901 -3.261 1.00 6.62 O HETATM 1705 O HOH 6 15.416 -10.387 -15.596 1.00 9.52 O HETATM 1706 O HOH 7 5.614 9.085 -18.939 1.00 28.15 O HETATM 1707 O HOH 8 20.993 6.712 2.092 1.00 2.32 O HETATM 1708 O HOH 9 17.472 -5.142 -7.110 1.00 7.27 O HETATM 1709 O HOH 10 15.101 -6.506 22.114 1.00 2.00 O HETATM 1710 O HOH 11 26.896 9.632 -7.742 1.00 3.54 O HETATM 1711 O HOH 12 -1.525 0.592 18.468 1.00 15.41 O HETATM 1712 O HOH 13 -0.938 8.759 14.550 1.00 19.12 O HETATM 1713 O HOH 14 8.683 -0.285 1.453 1.00 14.35 O HETATM 1714 O HOH 15 4.036 -2.341 26.553 1.00 7.71 O HETATM 1715 O HOH 16 13.133 14.724 -10.843 1.00 14.26 O HETATM 1716 O HOH 17 24.889 5.818 -3.463 1.00 19.64 O HETATM 1717 O HOH 18 17.031 1.974 17.606 1.00 4.64 O HETATM 1718 O HOH 19 -2.368 6.764 28.428 1.00 8.80 O HETATM 1719 O HOH 20 -4.272 -2.849 15.453 1.00 11.59 O HETATM 1720 O HOH 21 -0.854 -4.349 9.825 1.00 14.92 O HETATM 1721 O HOH 22 29.894 4.569 -9.436 1.00 3.89 O HETATM 1722 O HOH 23 13.675 14.461 -2.464 1.00 13.49 O HETATM 1723 O HOH 24 12.731 3.841 -17.483 1.00 34.95 O HETATM 1724 O HOH 25 1.853 0.450 16.611 1.00 12.94 O HETATM 1725 O HOH 26 20.455 -10.043 12.394 1.00 2.00 O HETATM 1726 O HOH 27 9.353 0.296 -20.176 1.00 2.00 O HETATM 1727 O HOH 28 9.837 9.343 -19.638 1.00 4.74 O HETATM 1728 O HOH 29 -2.422 -3.263 7.423 1.00 2.00 O HETATM 1729 O HOH 30 30.450 7.157 1.908 1.00 14.80 O HETATM 1730 O HOH 31 27.757 0.447 -8.607 1.00 13.10 O HETATM 1731 O HOH 32 11.349 20.653 -4.710 1.00 2.00 O HETATM 1732 N ARG A 33 19.522 -15.692 14.649 1.00 0.24 N HETATM 1733 CA ARG A 33 18.098 -15.901 14.367 1.00 0.07 C HETATM 1734 C ARG A 33 17.880 -15.985 12.861 1.00 0.23 C HETATM 1735 O ARG A 33 18.735 -15.573 12.074 1.00 -0.39 O HETATM 1736 N ARG A 33 16.735 -16.534 12.466 1.00 -0.26 N HETATM 1737 CA ARG A 33 16.395 -16.635 11.060 1.00 0.14 C HETATM 1738 C ARG A 33 15.525 -15.487 10.640 1.00 0.21 C HETATM 1739 O ARG A 33 14.966 -14.802 11.477 1.00 -0.39 O HETATM 1740 N ARG A 33 15.419 -15.296 9.333 1.00 -0.26 N HETATM 1741 CA ARG A 33 14.693 -14.167 8.764 1.00 0.13 C HETATM 1742 C ARG A 33 13.150 -14.129 8.802 1.00 0.20 C HETATM 1743 O ARG A 33 12.592 -13.025 8.709 1.00 -0.39 O HETATM 1744 N ARG A 33 12.439 -15.255 8.901 1.00 -0.26 N HETATM 1745 CA ARG A 33 10.963 -15.107 8.961 1.00 0.13 C HETATM 1746 CB ARG A 33 10.157 -15.962 9.938 1.00 -0.01 C HETATM 1747 CG ARG A 33 8.792 -15.298 10.115 1.00 -0.04 C HETATM 1748 CD ARG A 33 8.300 -15.270 11.546 1.00 -0.01 C HETATM 1749 CE ARG A 33 7.178 -16.293 11.752 1.00 -0.03 C HETATM 1750 NZ ARG A 33 6.090 -15.863 12.657 1.00 0.24 N HETATM 1751 CM1 ARG A 33 5.684 -14.473 12.450 1.00 -0.04 C HETATM 1752 H46 ARG A 33 4.876 -14.219 13.151 1.00 0.08 H HETATM 1753 H47 ARG A 33 5.327 -14.345 11.417 1.00 0.08 H HETATM 1754 H48 ARG A 33 6.544 -13.810 12.626 1.00 0.08 H HETATM 1755 CM2 ARG A 33 4.948 -16.713 12.364 1.00 -0.04 C HETATM 1756 H49 ARG A 33 5.228 -17.767 12.512 1.00 0.08 H HETATM 1757 H50 ARG A 33 4.635 -16.560 11.321 1.00 0.08 H HETATM 1758 H51 ARG A 33 4.117 -16.456 13.037 1.00 0.08 H HETATM 1759 CM3 ARG A 33 6.425 -16.069 14.061 1.00 -0.04 C HETATM 1760 H52 ARG A 33 7.288 -15.442 14.328 1.00 0.08 H HETATM 1761 H53 ARG A 33 6.675 -17.127 14.227 1.00 0.08 H HETATM 1762 H54 ARG A 33 5.564 -15.793 14.688 1.00 0.08 H HETATM 1763 H44 ARG A 33 7.625 -17.208 12.168 1.00 0.08 H HETATM 1764 H45 ARG A 33 6.735 -16.515 10.770 1.00 0.08 H HETATM 1765 H42 ARG A 33 7.919 -14.264 11.777 1.00 0.03 H HETATM 1766 H43 ARG A 33 9.136 -15.510 12.220 1.00 0.03 H HETATM 1767 H40 ARG A 33 8.058 -15.849 9.508 1.00 0.03 H HETATM 1768 H41 ARG A 33 8.862 -14.261 9.754 1.00 0.03 H HETATM 1769 H38 ARG A 33 10.676 -16.016 10.906 1.00 0.03 H HETATM 1770 H39 ARG A 33 10.031 -16.977 9.533 1.00 0.03 H HETATM 1771 C ARG A 33 10.236 -14.975 7.644 1.00 0.20 C HETATM 1772 O ARG A 33 10.138 -13.863 7.126 1.00 -0.39 O HETATM 1773 N ARG A 33 9.716 -16.084 7.098 1.00 -0.26 N HETATM 1774 CA ARG A 33 8.671 -16.028 6.032 1.00 0.13 C HETATM 1775 C ARG A 33 7.500 -17.067 6.203 1.00 0.20 C HETATM 1776 O ARG A 33 6.915 -17.539 5.212 1.00 -0.39 O HETATM 1777 N ARG A 33 7.194 -17.440 7.476 1.00 -0.26 N HETATM 1778 CA ARG A 33 5.922 -18.160 7.785 1.00 0.13 C HETATM 1779 C ARG A 33 5.029 -17.204 8.629 1.00 0.20 C HETATM 1780 O ARG A 33 5.539 -16.174 9.072 1.00 -0.39 O HETATM 1781 N ARG A 33 3.765 -17.539 8.949 1.00 -0.26 N HETATM 1782 CA ARG A 33 2.999 -18.756 8.576 1.00 0.14 C HETATM 1783 C ARG A 33 3.813 -20.042 8.265 1.00 0.26 C HETATM 1784 O ARG A 33 3.343 -20.997 7.631 1.00 -0.37 O HETATM 1785 O ARG A 33 5.068 -20.121 8.698 1.00 -0.29 O HETATM 1786 H88 ARG A 33 5.651 -20.230 7.956 1.00 0.25 H HETATM 1787 CB ARG A 33 1.998 -18.402 7.457 1.00 -0.01 C HETATM 1788 CG ARG A 33 2.633 -18.069 6.109 1.00 -0.02 C HETATM 1789 CD ARG A 33 2.120 -16.756 5.560 1.00 0.06 C HETATM 1790 NE ARG A 33 3.179 -16.077 4.813 1.00 -0.27 N HETATM 1791 CZ ARG A 33 3.242 -14.764 4.611 1.00 0.29 C HETATM 1792 NH1 ARG A 33 2.304 -13.952 5.091 1.00 -0.28 N HETATM 1793 H84 ARG A 33 2.368 -12.937 4.926 1.00 0.26 H HETATM 1794 H85 ARG A 33 1.514 -14.338 5.628 1.00 0.26 H HETATM 1795 NH2 ARG A 33 4.260 -14.260 3.930 1.00 -0.28 N HETATM 1796 H86 ARG A 33 4.989 -14.884 3.556 1.00 0.26 H HETATM 1797 H87 ARG A 33 4.323 -13.244 3.774 1.00 0.26 H HETATM 1798 H83 ARG A 33 3.930 -16.658 4.415 1.00 0.26 H HETATM 1799 H81 ARG A 33 1.794 -16.116 6.393 1.00 0.07 H HETATM 1800 H82 ARG A 33 1.269 -16.949 4.891 1.00 0.07 H HETATM 1801 H79 ARG A 33 2.396 -18.871 5.395 1.00 0.03 H HETATM 1802 H80 ARG A 33 3.724 -18.001 6.235 1.00 0.03 H HETATM 1803 H77 ARG A 33 1.414 -17.529 7.784 1.00 0.03 H HETATM 1804 H78 ARG A 33 1.326 -19.261 7.315 1.00 0.03 H HETATM 1805 H76 ARG A 33 2.399 -19.009 9.462 1.00 0.08 H HETATM 1806 H75 ARG A 33 3.274 -16.878 9.516 1.00 0.19 H HETATM 1807 CB ARG A 33 6.197 -19.455 8.608 1.00 -0.01 C HETATM 1808 CG ARG A 33 7.068 -20.677 8.223 1.00 -0.04 C HETATM 1809 CD1 ARG A 33 6.686 -21.313 6.841 1.00 -0.06 C HETATM 1810 H69 ARG A 33 7.344 -22.171 6.638 1.00 0.02 H HETATM 1811 H70 ARG A 33 6.806 -20.562 6.046 1.00 0.02 H HETATM 1812 H71 ARG A 33 5.640 -21.652 6.870 1.00 0.02 H HETATM 1813 CD2 ARG A 33 8.582 -20.367 8.337 1.00 -0.06 C HETATM 1814 H72 ARG A 33 8.793 -19.924 9.322 1.00 0.02 H HETATM 1815 H73 ARG A 33 8.872 -19.658 7.547 1.00 0.02 H HETATM 1816 H74 ARG A 33 9.156 -21.298 8.223 1.00 0.02 H HETATM 1817 H68 ARG A 33 6.856 -21.449 8.977 1.00 0.03 H HETATM 1818 H66 ARG A 33 5.199 -19.877 8.800 1.00 0.03 H HETATM 1819 H67 ARG A 33 6.630 -19.095 9.553 1.00 0.03 H HETATM 1820 H65 ARG A 33 5.410 -18.425 6.848 1.00 0.08 H HETATM 1821 H64 ARG A 33 7.832 -17.229 8.217 1.00 0.19 H HETATM 1822 CB ARG A 33 9.247 -15.989 4.551 1.00 -0.01 C HETATM 1823 CG1 ARG A 33 8.333 -15.127 3.655 1.00 -0.06 C HETATM 1824 H58 ARG A 33 8.738 -15.105 2.632 1.00 0.02 H HETATM 1825 H59 ARG A 33 8.288 -14.103 4.054 1.00 0.02 H HETATM 1826 H60 ARG A 33 7.322 -15.559 3.640 1.00 0.02 H HETATM 1827 CG2 ARG A 33 10.693 -15.437 4.478 1.00 -0.06 C HETATM 1828 H61 ARG A 33 11.351 -16.047 5.115 1.00 0.02 H HETATM 1829 H62 ARG A 33 10.706 -14.395 4.830 1.00 0.02 H HETATM 1830 H63 ARG A 33 11.049 -15.478 3.438 1.00 0.02 H HETATM 1831 H57 ARG A 33 9.254 -17.018 4.163 1.00 0.03 H HETATM 1832 H56 ARG A 33 8.194 -15.047 6.171 1.00 0.08 H HETATM 1833 H55 ARG A 33 10.038 -16.976 7.414 1.00 0.19 H HETATM 1834 H37 ARG A 33 10.868 -14.101 9.395 1.00 0.08 H HETATM 1835 H36 ARG A 33 12.879 -16.153 8.933 1.00 0.19 H HETATM 1836 CB ARG A 33 15.182 -13.849 7.336 1.00 -0.01 C HETATM 1837 CG ARG A 33 14.569 -12.544 6.758 1.00 -0.02 C HETATM 1838 CD ARG A 33 15.507 -11.835 5.810 1.00 0.06 C HETATM 1839 NE ARG A 33 15.232 -10.402 5.745 1.00 -0.27 N HETATM 1840 CZ ARG A 33 15.848 -9.479 6.478 1.00 0.29 C HETATM 1841 NH1 ARG A 33 16.786 -9.820 7.346 1.00 -0.28 N HETATM 1842 H32 ARG A 33 17.256 -9.096 7.908 1.00 0.26 H HETATM 1843 H33 ARG A 33 17.047 -10.810 7.460 1.00 0.26 H HETATM 1844 NH2 ARG A 33 15.523 -8.201 6.336 1.00 -0.28 N HETATM 1845 H34 ARG A 33 14.794 -7.927 5.662 1.00 0.26 H HETATM 1846 H35 ARG A 33 16.000 -7.483 6.899 1.00 0.26 H HETATM 1847 H31 ARG A 33 14.509 -10.084 5.084 1.00 0.26 H HETATM 1848 H29 ARG A 33 15.390 -12.266 4.805 1.00 0.07 H HETATM 1849 H30 ARG A 33 16.541 -11.984 6.155 1.00 0.07 H HETATM 1850 H27 ARG A 33 14.331 -11.867 7.591 1.00 0.03 H HETATM 1851 H28 ARG A 33 13.646 -12.797 6.217 1.00 0.03 H HETATM 1852 H25 ARG A 33 14.907 -14.686 6.677 1.00 0.03 H HETATM 1853 H26 ARG A 33 16.277 -13.742 7.356 1.00 0.03 H HETATM 1854 H24 ARG A 33 15.000 -13.314 9.387 1.00 0.08 H HETATM 1855 H23 ARG A 33 15.853 -15.950 8.714 1.00 0.19 H HETATM 1856 CB ARG A 33 15.720 -17.966 10.715 1.00 0.01 C HETATM 1857 CG ARG A 33 14.931 -18.574 11.831 1.00 -0.00 C HETATM 1858 ND1 ARG A 33 13.599 -18.901 11.704 1.00 -0.33 N HETATM 1859 CE1 ARG A 33 13.171 -19.447 12.827 1.00 0.09 C HETATM 1860 NE2 ARG A 33 14.183 -19.502 13.674 1.00 -0.28 N HETATM 1861 CD2 ARG A 33 15.297 -18.968 13.073 1.00 0.03 C HETATM 1862 H20 ARG A 33 16.289 -18.878 13.514 1.00 0.07 H HETATM 1863 H22 ARG A 33 14.143 -19.883 14.630 1.00 0.24 H HETATM 1864 H21 ARG A 33 12.157 -19.793 13.022 1.00 0.12 H HETATM 1865 H18 ARG A 33 16.502 -18.681 10.419 1.00 0.04 H HETATM 1866 H19 ARG A 33 15.040 -17.796 9.867 1.00 0.04 H HETATM 1867 H17 ARG A 33 17.332 -16.578 10.487 1.00 0.08 H HETATM 1868 H16 ARG A 33 16.096 -16.884 13.152 1.00 0.19 H HETATM 1869 CB ARG A 33 17.275 -14.762 14.965 1.00 0.01 C HETATM 1870 CG ARG A 33 16.807 -14.974 16.402 1.00 -0.01 C HETATM 1871 CD ARG A 33 16.121 -13.723 16.970 1.00 0.06 C HETATM 1872 NE ARG A 33 14.809 -13.985 17.569 1.00 -0.27 N HETATM 1873 CZ ARG A 33 14.611 -14.355 18.828 1.00 0.29 C HETATM 1874 NH1 ARG A 33 15.631 -14.534 19.661 1.00 -0.28 N HETATM 1875 H12 ARG A 33 15.457 -14.821 20.635 1.00 0.26 H HETATM 1876 H13 ARG A 33 16.596 -14.385 19.333 1.00 0.26 H HETATM 1877 NH2 ARG A 33 13.381 -14.561 19.261 1.00 -0.28 N HETATM 1878 H14 ARG A 33 12.582 -14.426 18.625 1.00 0.26 H HETATM 1879 H15 ARG A 33 13.220 -14.857 20.234 1.00 0.26 H HETATM 1880 H11 ARG A 33 13.980 -13.874 16.968 1.00 0.26 H HETATM 1881 H9 ARG A 33 15.990 -12.999 16.153 1.00 0.07 H HETATM 1882 H10 ARG A 33 16.774 -13.290 17.742 1.00 0.07 H HETATM 1883 H7 ARG A 33 17.678 -15.217 17.028 1.00 0.03 H HETATM 1884 H8 ARG A 33 16.094 -15.812 16.424 1.00 0.03 H HETATM 1885 H5 ARG A 33 16.384 -14.621 14.336 1.00 0.03 H HETATM 1886 H6 ARG A 33 17.890 -13.850 14.940 1.00 0.03 H HETATM 1887 H4 ARG A 33 17.778 -16.848 14.826 1.00 0.11 H HETATM 1888 H1 ARG A 33 19.663 -15.637 15.646 1.00 0.20 H HETATM 1889 H2 ARG A 33 19.827 -14.833 14.219 1.00 0.20 H HETATM 1890 H3 ARG A 33 20.055 -16.462 14.277 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1732 1733 1888 1889 1890 CONECT 1733 1732 1734 1869 1887 CONECT 1734 1733 1735 1736 CONECT 1735 1734 CONECT 1736 1734 1737 1868 CONECT 1737 1736 1738 1856 1867 CONECT 1738 1737 1739 1740 CONECT 1739 1738 CONECT 1740 1738 1741 1855 CONECT 1741 1740 1742 1836 1854 CONECT 1742 1741 1743 1744 CONECT 1743 1742 CONECT 1744 1742 1745 1835 CONECT 1745 1744 1746 1771 1834 CONECT 1746 1745 1747 1769 1770 CONECT 1747 1746 1748 1767 1768 CONECT 1748 1747 1749 1765 1766 CONECT 1749 1748 1750 1763 1764 CONECT 1750 1749 1751 1755 1759 CONECT 1751 1750 1752 1753 1754 CONECT 1752 1751 CONECT 1753 1751 CONECT 1754 1751 CONECT 1755 1750 1756 1757 1758 CONECT 1756 1755 CONECT 1757 1755 CONECT 1758 1755 CONECT 1759 1750 1760 1761 1762 CONECT 1760 1759 CONECT 1761 1759 CONECT 1762 1759 CONECT 1763 1749 CONECT 1764 1749 CONECT 1765 1748 CONECT 1766 1748 CONECT 1767 1747 CONECT 1768 1747 CONECT 1769 1746 CONECT 1770 1746 CONECT 1771 1745 1772 1773 CONECT 1772 1771 CONECT 1773 1771 1774 1833 CONECT 1774 1773 1775 1822 1832 CONECT 1775 1774 1776 1777 CONECT 1776 1775 CONECT 1777 1775 1778 1821 CONECT 1778 1777 1779 1807 1820 CONECT 1779 1778 1780 1781 CONECT 1780 1779 CONECT 1781 1779 1782 1806 CONECT 1782 1781 1783 1787 1805 CONECT 1783 1782 1784 1785 CONECT 1784 1783 CONECT 1785 1783 1786 CONECT 1786 1785 CONECT 1787 1782 1788 1803 1804 CONECT 1788 1787 1789 1801 1802 CONECT 1789 1788 1790 1799 1800 CONECT 1790 1789 1791 1798 CONECT 1791 1790 1792 1795 CONECT 1792 1791 1793 1794 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1791 1796 1797 CONECT 1796 1795 CONECT 1797 1795 CONECT 1798 1790 CONECT 1799 1789 CONECT 1800 1789 CONECT 1801 1788 CONECT 1802 1788 CONECT 1803 1787 CONECT 1804 1787 CONECT 1805 1782 CONECT 1806 1781 CONECT 1807 1778 1808 1818 1819 CONECT 1808 1807 1809 1813 1817 CONECT 1809 1808 1810 1811 1812 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1809 CONECT 1813 1808 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1808 CONECT 1818 1807 CONECT 1819 1807 CONECT 1820 1778 CONECT 1821 1777 CONECT 1822 1774 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 CONECT 1832 1774 CONECT 1833 1773 CONECT 1834 1745 CONECT 1835 1744 CONECT 1836 1741 1837 1852 1853 CONECT 1837 1836 1838 1850 1851 CONECT 1838 1837 1839 1848 1849 CONECT 1839 1838 1840 1847 CONECT 1840 1839 1841 1844 CONECT 1841 1840 1842 1843 CONECT 1842 1841 CONECT 1843 1841 CONECT 1844 1840 1845 1846 CONECT 1845 1844 CONECT 1846 1844 CONECT 1847 1839 CONECT 1848 1838 CONECT 1849 1838 CONECT 1850 1837 CONECT 1851 1837 CONECT 1852 1836 CONECT 1853 1836 CONECT 1854 1741 CONECT 1855 1740 CONECT 1856 1737 1857 1865 1866 CONECT 1857 1856 1858 1861 CONECT 1858 1857 1859 CONECT 1859 1858 1860 1864 CONECT 1860 1859 1861 1863 CONECT 1861 1857 1860 1862 CONECT 1862 1861 CONECT 1863 1860 CONECT 1864 1859 CONECT 1865 1856 CONECT 1866 1856 CONECT 1867 1737 CONECT 1868 1736 CONECT 1869 1733 1870 1885 1886 CONECT 1870 1869 1871 1883 1884 CONECT 1871 1870 1872 1881 1882 CONECT 1872 1871 1873 1880 CONECT 1873 1872 1874 1877 CONECT 1874 1873 1875 1876 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1873 1878 1879 CONECT 1878 1877 CONECT 1879 1877 CONECT 1880 1872 CONECT 1881 1871 CONECT 1882 1871 CONECT 1883 1870 CONECT 1884 1870 CONECT 1885 1869 CONECT 1886 1869 CONECT 1887 1733 CONECT 1888 1732 CONECT 1889 1732 CONECT 1890 1732 MASTER 0 0 0 0 0 0 0 0 1889 1 163 9 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
2gfa
RCSB PDB
PDBbind
119aa, >2GFA_1|Chains... at 98%
5d6y
RCSB PDB
PDBbind
121aa, >5D6Y_1|Chains... *
5var
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PDBbind
119aa, >5VAR_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1aqc
RCSB PDB
PDBbind
10-mer
1awi
RCSB PDB
PDBbind
10-mer
1aze
RCSB PDB
PDBbind
10-mer
1bjr
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PDBbind
10-mer
1cka
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1ckb
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PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
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PDBbind
10-mer
1gvu
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PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
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2vnf
RCSB PDB
PDBbind
10-mer
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PDBbind
10-mer
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PDBbind
10-mer
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PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
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PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
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PDBbind
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RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
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PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
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PDBbind
10-mer
3fea
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PDBbind
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RCSB PDB
PDBbind
10-mer
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3hg1
RCSB PDB
PDBbind
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PDBbind
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10-mer
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RCSB PDB
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PDBbind
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3puk
RCSB PDB
PDBbind
10-mer
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PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
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3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
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PDBbind
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3uii
RCSB PDB
PDBbind
10-mer
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RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
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3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
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4bg6
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PDBbind
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4e34
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PDBbind
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PDBbind
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4e81
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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PDBbind
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4jog
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4joh
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PDBbind
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PDBbind
10-mer
4jok
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PDBbind
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PDBbind
10-mer
4k72
RCSB PDB
PDBbind
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4k75
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PDBbind
10-mer
4k76
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PDBbind
10-mer
4k78
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PDBbind
10-mer
4lnp
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PDBbind
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4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
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PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
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PDBbind
10-mer
4nms
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PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5azg
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
2qqs
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
JMJD2A-tudor
Ligand Name
10-mer
EC.Number
E.C.1.4.11.-
Resolution
2.82(Å)
Affinity (Kd/Ki/IC50)
Kd=0.40uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Nat.Struct.Mol.Biol. Vol. 15: pp. 109-111
Ligand Properties
Formula
C
4
4
H
8
8
N
1
9
O
8
Molecular Weight
1011.290
Exact Mass
1010.710
No. of atoms
159
No. of bonds
159
Polar Surface Area
466.25
LOGP Value
1.01 (
Computed with XLOGP3
)
-3.92 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 42
No. of Nitrogen and Oxygen Atoms: 27
No. of Rings: 1
Canonical SMILES
NC(=[NH+]CCC[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)CC(C)C)C(C)C)CCCC[N+](C)(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])Cc1c[nH]cn1)N
InChI String
InChI=1S/C44H83N19O8/c1-25(2)21-32(38(67)59-31(41(70)71)16-12-19-55-44(50)51)61-40(69)34(26(3)4)62-37(66)29(14-8-9-20-63(5,6)7)57-36(65)30(15-11-18-54-43(48)49)58-39(68)33(22-27-23-52-24-56-27)60-35(64)28(45)13-10-17-53-42(46)47/h23-26,28-34H,8-22,45H2,1-7H3,(H19-,46,47,48,49,50,51,52,53,54,55,56,57,58,59,60,61,62,64,65,66,67,68,69,70,71)/p+5/t28-,29+,30-,31-,32-,33-,34-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O75164
P62805
Entrez Gene ID
NCBI Entrez Gene ID:
9682
121504
554313
8294
8359
8360
8361
8362
8363
8364
8365
8366
8367
8368
8370
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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