Browse entries in the PDBbind-CN Database
HEADER 1N8V_COMPLEX COMPND 1N8V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 101 LYS TYR THR ASP LYS TYR ASP ASN ILE ASN LEU ASP GLU SEQRES 2 A 101 ILE LEU ALA ASN LYS ARG LEU LEU VAL ALA TYR VAL ASN SEQRES 3 A 101 CYS VAL MET GLU ARG GLY LYS CYS SER PRO GLU GLY LYS SEQRES 4 A 101 GLU LEU LYS GLU HIS LEU GLN ASP ALA ILE GLU ASN GLY SEQRES 5 A 101 CYS LYS LYS CYS THR GLU ASN GLN GLU LYS GLY ALA TYR SEQRES 6 A 101 ARG VAL ILE GLU HIS LEU ILE LYS ASN GLU ILE GLU ILE SEQRES 7 A 101 TRP ARG GLU LEU THR ALA LYS TYR ASP PRO THR GLY ASN SEQRES 8 A 101 TRP ARG LYS LYS TYR GLU ASP ARG ALA LYS HET BDD A 303 39 SSBOND 1 CYS A 29 CYS A 36 SSBOND 2 CYS A 55 CYS A 58 ATOM 1 N LYS A 3 19.996 35.739 15.978 1.00 19.57 N ATOM 2 CA LYS A 3 19.974 34.276 16.295 1.00 18.38 C ATOM 3 C LYS A 3 20.319 33.998 17.741 1.00 17.22 C ATOM 4 O LYS A 3 21.241 34.578 18.283 1.00 17.53 O ATOM 5 CB LYS A 3 20.929 33.537 15.403 1.00 18.92 C ATOM 6 HA LYS A 3 18.956 33.927 16.121 1.00 0.00 H ATOM 7 HB2 LYS A 3 20.638 33.681 14.363 1.00 0.00 H ATOM 8 HB3 LYS A 3 21.938 33.920 15.556 1.00 0.00 H ATOM 9 HN3 LYS A 3 20.947 36.118 16.162 1.00 0.00 H ATOM 10 HN2 LYS A 3 19.303 36.233 16.576 1.00 0.00 H ATOM 11 HN1 LYS A 3 19.753 35.879 14.976 1.00 0.00 H ATOM 12 N TYR A 4 19.544 33.137 18.399 1.00 14.21 N ATOM 13 CA TYR A 4 19.853 32.827 19.780 1.00 14.12 C ATOM 14 C TYR A 4 21.181 32.069 19.886 1.00 14.10 C ATOM 15 O TYR A 4 21.558 31.280 19.007 1.00 14.73 O ATOM 16 CB TYR A 4 18.746 32.015 20.446 1.00 13.36 C ATOM 17 CG TYR A 4 17.360 32.625 20.418 1.00 12.47 C ATOM 18 CD1 TYR A 4 17.152 34.005 20.326 1.00 12.33 C ATOM 19 CD2 TYR A 4 16.263 31.814 20.441 1.00 11.36 C ATOM 20 CE1 TYR A 4 15.859 34.534 20.303 1.00 11.43 C ATOM 21 CE2 TYR A 4 15.006 32.336 20.403 1.00 11.05 C ATOM 22 CZ TYR A 4 14.801 33.674 20.337 1.00 10.83 C ATOM 23 OH TYR A 4 13.498 34.155 20.263 1.00 11.98 O ATOM 24 HA TYR A 4 19.938 33.779 20.304 1.00 0.00 H ATOM 25 HB3 TYR A 4 19.024 31.867 21.490 1.00 0.00 H ATOM 26 HB2 TYR A 4 18.694 31.049 19.945 1.00 0.00 H ATOM 27 HD2 TYR A 4 16.395 30.733 20.490 1.00 0.00 H ATOM 28 HE2 TYR A 4 14.148 31.664 20.426 1.00 0.00 H ATOM 29 HE1 TYR A 4 15.699 35.611 20.259 1.00 0.00 H ATOM 30 HD1 TYR A 4 18.009 34.676 20.272 1.00 0.00 H ATOM 31 HH TYR A 4 13.514 35.144 20.221 1.00 0.00 H ATOM 32 H TYR A 4 18.729 32.694 17.928 1.00 0.00 H ATOM 33 N THR A 5 21.873 32.298 20.997 1.00 14.60 N ATOM 34 CA THR A 5 23.129 31.614 21.248 1.00 14.34 C ATOM 35 C THR A 5 22.934 30.115 21.287 1.00 13.54 C ATOM 36 O THR A 5 21.940 29.634 21.793 1.00 12.90 O ATOM 37 CB THR A 5 23.757 32.115 22.591 1.00 14.76 C ATOM 38 OG1 THR A 5 25.047 31.494 22.791 1.00 16.63 O ATOM 39 CG2 THR A 5 22.937 31.714 23.789 1.00 16.78 C ATOM 40 HA THR A 5 23.811 31.844 20.430 1.00 0.00 H ATOM 41 HB THR A 5 23.814 33.201 22.510 1.00 0.00 H ATOM 42 HG1 THR A 5 25.438 31.815 23.642 1.00 0.00 H ATOM 43 HG23 THR A 5 21.941 32.149 23.708 1.00 0.00 H ATOM 44 HG21 THR A 5 22.858 30.628 23.827 1.00 0.00 H ATOM 45 HG22 THR A 5 23.421 32.076 24.696 1.00 0.00 H ATOM 46 H THR A 5 21.510 32.977 21.697 1.00 0.00 H ATOM 47 N ASP A 6 23.928 29.370 20.800 1.00 12.26 N ATOM 48 CA ASP A 6 23.898 27.922 20.897 1.00 12.87 C ATOM 49 C ASP A 6 24.845 27.424 21.987 1.00 11.67 C ATOM 50 O ASP A 6 25.057 26.211 22.111 1.00 13.12 O ATOM 51 CB ASP A 6 24.272 27.261 19.564 1.00 13.02 C ATOM 52 CG ASP A 6 25.684 27.550 19.105 1.00 14.50 C ATOM 53 OD1 ASP A 6 26.475 28.189 19.826 1.00 14.21 O ATOM 54 OD2 ASP A 6 26.047 27.160 17.977 1.00 17.32 O ATOM 55 HA ASP A 6 22.876 27.644 21.154 1.00 0.00 H ATOM 56 HB2 ASP A 6 24.162 26.182 19.674 1.00 0.00 H ATOM 57 HB3 ASP A 6 23.583 27.619 18.799 1.00 0.00 H ATOM 58 H ASP A 6 24.738 29.835 20.343 1.00 0.00 H ATOM 59 N LYS A 7 25.358 28.312 22.839 1.00 12.02 N ATOM 60 CA LYS A 7 26.358 27.884 23.820 1.00 13.06 C ATOM 61 C LYS A 7 25.857 26.918 24.909 1.00 12.73 C ATOM 62 O LYS A 7 26.660 26.203 25.519 1.00 13.12 O ATOM 63 CB LYS A 7 27.094 29.091 24.414 1.00 13.53 C ATOM 64 CG LYS A 7 26.243 29.927 25.367 1.00 15.40 C ATOM 65 CD LYS A 7 27.046 31.151 25.850 1.00 18.20 C ATOM 66 CE LYS A 7 26.189 32.130 26.617 1.00 19.84 C ATOM 67 NZ LYS A 7 26.987 33.314 27.058 1.00 19.88 N ATOM 68 HA LYS A 7 27.065 27.279 23.251 1.00 0.00 H ATOM 69 HB2 LYS A 7 27.965 28.728 24.960 1.00 0.00 H ATOM 70 HB3 LYS A 7 27.421 29.731 23.595 1.00 0.00 H ATOM 71 HG2 LYS A 7 25.345 30.265 24.849 1.00 0.00 H ATOM 72 HG3 LYS A 7 25.958 29.319 26.226 1.00 0.00 H ATOM 73 HD2 LYS A 7 27.853 30.808 26.498 1.00 0.00 H ATOM 74 HD3 LYS A 7 27.468 31.658 24.983 1.00 0.00 H ATOM 75 HE2 LYS A 7 25.777 31.631 27.494 1.00 0.00 H ATOM 76 HE3 LYS A 7 25.374 32.468 25.977 1.00 0.00 H ATOM 77 HZ1 LYS A 7 27.763 32.998 27.674 1.00 0.00 H ATOM 78 HZ2 LYS A 7 27.379 33.797 26.224 1.00 0.00 H ATOM 79 HZ3 LYS A 7 26.372 33.969 27.582 1.00 0.00 H ATOM 80 H LYS A 7 25.049 29.305 22.807 1.00 0.00 H ATOM 81 N TYR A 8 24.543 26.871 25.153 1.00 12.39 N ATOM 82 CA TYR A 8 23.947 25.971 26.138 1.00 13.02 C ATOM 83 C TYR A 8 23.256 24.782 25.477 1.00 13.29 C ATOM 84 O TYR A 8 22.629 23.970 26.159 1.00 13.46 O ATOM 85 CB TYR A 8 22.928 26.710 27.018 1.00 12.68 C ATOM 86 CG TYR A 8 23.455 27.908 27.756 1.00 12.74 C ATOM 87 CD1 TYR A 8 24.474 27.789 28.693 1.00 14.47 C ATOM 88 CD2 TYR A 8 22.919 29.166 27.538 1.00 14.71 C ATOM 89 CE1 TYR A 8 24.943 28.903 29.381 1.00 14.33 C ATOM 90 CE2 TYR A 8 23.375 30.269 28.219 1.00 16.01 C ATOM 91 CZ TYR A 8 24.384 30.132 29.143 1.00 14.55 C ATOM 92 OH TYR A 8 24.854 31.236 29.841 1.00 18.74 O ATOM 93 HA TYR A 8 24.766 25.604 26.756 1.00 0.00 H ATOM 94 HB3 TYR A 8 22.546 26.003 27.755 1.00 0.00 H ATOM 95 HB2 TYR A 8 22.111 27.043 26.378 1.00 0.00 H ATOM 96 HD2 TYR A 8 22.117 29.284 26.809 1.00 0.00 H ATOM 97 HE2 TYR A 8 22.938 31.249 28.027 1.00 0.00 H ATOM 98 HE1 TYR A 8 25.751 28.799 30.106 1.00 0.00 H ATOM 99 HD1 TYR A 8 24.911 26.810 28.891 1.00 0.00 H ATOM 100 HH TYR A 8 25.574 30.953 30.458 1.00 0.00 H ATOM 101 H TYR A 8 23.916 27.504 24.617 1.00 0.00 H ATOM 102 N ASP A 9 23.412 24.641 24.164 1.00 13.54 N ATOM 103 CA ASP A 9 22.651 23.608 23.436 1.00 14.33 C ATOM 104 C ASP A 9 23.025 22.153 23.700 1.00 15.28 C ATOM 105 O ASP A 9 22.284 21.252 23.278 1.00 16.44 O ATOM 106 CB ASP A 9 22.664 23.895 21.935 1.00 14.41 C ATOM 107 CG ASP A 9 21.669 24.949 21.519 1.00 12.94 C ATOM 108 OD1 ASP A 9 21.101 25.645 22.390 1.00 15.98 O ATOM 109 OD2 ASP A 9 21.445 25.191 20.312 1.00 14.91 O ATOM 110 HA ASP A 9 21.646 23.694 23.848 1.00 0.00 H ATOM 111 HB2 ASP A 9 23.662 24.232 21.656 1.00 0.00 H ATOM 112 HB3 ASP A 9 22.432 22.972 21.404 1.00 0.00 H ATOM 113 H ASP A 9 24.071 25.260 23.650 1.00 0.00 H ATOM 114 N ASN A 10 24.111 21.896 24.424 1.00 14.71 N ATOM 115 CA ASN A 10 24.469 20.525 24.794 1.00 15.83 C ATOM 116 C ASN A 10 23.964 20.125 26.175 1.00 15.96 C ATOM 117 O ASN A 10 24.227 19.012 26.642 1.00 16.21 O ATOM 118 CB ASN A 10 25.973 20.308 24.690 1.00 15.61 C ATOM 119 CG ASN A 10 26.434 20.109 23.255 1.00 16.67 C ATOM 120 OD1 ASN A 10 27.507 20.568 22.867 1.00 18.37 O ATOM 121 ND2 ASN A 10 25.600 19.459 22.442 1.00 16.68 N ATOM 122 HA ASN A 10 23.966 19.875 24.078 1.00 0.00 H ATOM 123 HB2 ASN A 10 26.482 21.179 25.103 1.00 0.00 H ATOM 124 HB3 ASN A 10 26.240 19.424 25.269 1.00 0.00 H ATOM 125 HD22 ASN A 10 24.701 19.086 22.809 1.00 0.00 H ATOM 126 HD21 ASN A 10 25.848 19.325 21.441 1.00 0.00 H ATOM 127 H ASN A 10 24.717 22.683 24.733 1.00 0.00 H ATOM 128 N ILE A 11 23.213 20.995 26.832 1.00 16.95 N ATOM 129 CA ILE A 11 22.628 20.634 28.129 1.00 18.12 C ATOM 130 C ILE A 11 21.667 19.447 27.915 1.00 17.33 C ATOM 131 O ILE A 11 20.881 19.454 26.975 1.00 17.34 O ATOM 132 CB ILE A 11 21.891 21.834 28.717 1.00 19.35 C ATOM 133 CG1 ILE A 11 21.383 21.511 30.118 1.00 21.42 C ATOM 134 CG2 ILE A 11 20.747 22.234 27.820 1.00 21.83 C ATOM 135 CD1 ILE A 11 20.691 22.661 30.779 1.00 24.63 C ATOM 136 HA ILE A 11 23.409 20.344 28.832 1.00 0.00 H ATOM 137 HB ILE A 11 22.586 22.671 28.787 1.00 0.00 H ATOM 138 HG12 ILE A 11 20.682 20.679 30.048 1.00 0.00 H ATOM 139 HG13 ILE A 11 22.233 21.218 30.735 1.00 0.00 H ATOM 140 HD11 ILE A 11 21.383 23.498 30.866 1.00 0.00 H ATOM 141 HD12 ILE A 11 19.831 22.959 30.179 1.00 0.00 H ATOM 142 HD13 ILE A 11 20.356 22.360 31.772 1.00 0.00 H ATOM 143 HG21 ILE A 11 21.134 22.500 26.836 1.00 0.00 H ATOM 144 HG22 ILE A 11 20.052 21.399 27.725 1.00 0.00 H ATOM 145 HG23 ILE A 11 20.231 23.091 28.252 1.00 0.00 H ATOM 146 H ILE A 11 23.037 21.937 26.428 1.00 0.00 H ATOM 147 N ASN A 12 21.735 18.438 28.781 1.00 16.58 N ATOM 148 CA ASN A 12 20.877 17.264 28.657 1.00 15.03 C ATOM 149 C ASN A 12 19.504 17.542 29.260 1.00 13.90 C ATOM 150 O ASN A 12 19.340 17.624 30.476 1.00 13.73 O ATOM 151 CB ASN A 12 21.525 16.003 29.284 1.00 15.55 C ATOM 152 CG ASN A 12 20.769 14.726 28.922 1.00 17.11 C ATOM 153 OD1 ASN A 12 19.564 14.660 29.096 1.00 17.45 O ATOM 154 ND2 ASN A 12 21.479 13.715 28.399 1.00 17.80 N ATOM 155 HA ASN A 12 20.750 17.056 27.595 1.00 0.00 H ATOM 156 HB2 ASN A 12 22.550 15.919 28.924 1.00 0.00 H ATOM 157 HB3 ASN A 12 21.530 16.113 30.368 1.00 0.00 H ATOM 158 HD22 ASN A 12 22.506 13.814 28.268 1.00 0.00 H ATOM 159 HD21 ASN A 12 21.002 12.832 28.125 1.00 0.00 H ATOM 160 H ASN A 12 22.416 18.488 29.565 1.00 0.00 H ATOM 161 N LEU A 13 18.526 17.709 28.372 1.00 13.20 N ATOM 162 CA LEU A 13 17.168 18.002 28.795 1.00 12.90 C ATOM 163 C LEU A 13 16.507 16.801 29.461 1.00 12.07 C ATOM 164 O LEU A 13 15.667 16.965 30.334 1.00 12.31 O ATOM 165 CB LEU A 13 16.306 18.479 27.617 1.00 13.19 C ATOM 166 CG LEU A 13 16.750 19.810 27.018 1.00 14.86 C ATOM 167 CD1 LEU A 13 15.888 20.122 25.812 1.00 16.67 C ATOM 168 CD2 LEU A 13 16.631 20.929 28.014 1.00 17.44 C ATOM 169 HA LEU A 13 17.239 18.804 29.529 1.00 0.00 H ATOM 170 HB2 LEU A 13 16.346 17.721 26.835 1.00 0.00 H ATOM 171 HB3 LEU A 13 15.279 18.586 27.966 1.00 0.00 H ATOM 172 HG LEU A 13 17.797 19.723 26.729 1.00 0.00 H ATOM 173 HD21 LEU A 13 15.592 21.022 28.332 1.00 0.00 H ATOM 174 HD22 LEU A 13 17.259 20.712 28.879 1.00 0.00 H ATOM 175 HD23 LEU A 13 16.956 21.861 27.552 1.00 0.00 H ATOM 176 HD11 LEU A 13 16.001 19.330 25.072 1.00 0.00 H ATOM 177 HD12 LEU A 13 14.844 20.187 26.120 1.00 0.00 H ATOM 178 HD13 LEU A 13 16.201 21.072 25.380 1.00 0.00 H ATOM 179 H LEU A 13 18.738 17.628 27.357 1.00 0.00 H ATOM 180 N ASP A 14 16.886 15.586 29.058 1.00 12.94 N ATOM 181 CA ASP A 14 16.286 14.388 29.644 1.00 13.59 C ATOM 182 C ASP A 14 16.578 14.291 31.147 1.00 13.89 C ATOM 183 O ASP A 14 15.714 13.883 31.932 1.00 13.53 O ATOM 184 CB ASP A 14 16.779 13.119 28.913 1.00 13.92 C ATOM 185 CG ASP A 14 16.277 13.015 27.480 1.00 15.73 C ATOM 186 OD1 ASP A 14 15.154 13.449 27.162 1.00 19.38 O ATOM 187 OD2 ASP A 14 16.959 12.483 26.561 1.00 20.37 O ATOM 188 HA ASP A 14 15.206 14.465 29.520 1.00 0.00 H ATOM 189 HB2 ASP A 14 17.869 13.130 28.898 1.00 0.00 H ATOM 190 HB3 ASP A 14 16.433 12.245 29.465 1.00 0.00 H ATOM 191 H ASP A 14 17.614 15.491 28.321 1.00 0.00 H ATOM 192 N GLU A 15 17.793 14.656 31.547 1.00 13.99 N ATOM 193 CA GLU A 15 18.188 14.621 32.953 1.00 15.70 C ATOM 194 C GLU A 15 17.378 15.649 33.772 1.00 14.69 C ATOM 195 O GLU A 15 16.949 15.378 34.896 1.00 15.57 O ATOM 196 CB GLU A 15 19.701 14.849 33.103 1.00 16.39 C ATOM 197 CG GLU A 15 20.570 13.669 32.708 1.00 20.48 C ATOM 198 CD GLU A 15 22.051 13.950 32.884 1.00 23.30 C ATOM 199 OE1 GLU A 15 22.643 14.619 32.023 1.00 27.34 O ATOM 200 OE2 GLU A 15 22.629 13.498 33.885 1.00 27.80 O ATOM 201 HA GLU A 15 17.964 13.630 33.348 1.00 0.00 H ATOM 202 HB2 GLU A 15 19.979 15.698 32.478 1.00 0.00 H ATOM 203 HB3 GLU A 15 19.906 15.085 34.147 1.00 0.00 H ATOM 204 HG2 GLU A 15 20.301 12.814 33.328 1.00 0.00 H ATOM 205 HG3 GLU A 15 20.381 13.431 31.661 1.00 0.00 H ATOM 206 H GLU A 15 18.483 14.976 30.837 1.00 0.00 H ATOM 207 N ILE A 16 17.148 16.830 33.205 1.00 13.18 N ATOM 208 CA ILE A 16 16.374 17.855 33.871 1.00 13.39 C ATOM 209 C ILE A 16 14.931 17.396 34.058 1.00 12.73 C ATOM 210 O ILE A 16 14.340 17.552 35.139 1.00 13.37 O ATOM 211 CB ILE A 16 16.422 19.184 33.064 1.00 13.86 C ATOM 212 CG1 ILE A 16 17.830 19.795 33.148 1.00 15.37 C ATOM 213 CG2 ILE A 16 15.369 20.123 33.554 1.00 14.91 C ATOM 214 CD1 ILE A 16 18.082 20.905 32.135 1.00 16.86 C ATOM 215 HA ILE A 16 16.810 18.033 34.854 1.00 0.00 H ATOM 216 HB ILE A 16 16.212 18.984 32.013 1.00 0.00 H ATOM 217 HG12 ILE A 16 17.967 20.205 34.148 1.00 0.00 H ATOM 218 HG13 ILE A 16 18.559 19.003 32.978 1.00 0.00 H ATOM 219 HD11 ILE A 16 17.961 20.509 31.127 1.00 0.00 H ATOM 220 HD12 ILE A 16 17.369 21.713 32.298 1.00 0.00 H ATOM 221 HD13 ILE A 16 19.096 21.284 32.258 1.00 0.00 H ATOM 222 HG21 ILE A 16 14.388 19.664 33.429 1.00 0.00 H ATOM 223 HG22 ILE A 16 15.539 20.339 34.609 1.00 0.00 H ATOM 224 HG23 ILE A 16 15.414 21.049 32.980 1.00 0.00 H ATOM 225 H ILE A 16 17.534 17.022 32.259 1.00 0.00 H ATOM 226 N LEU A 17 14.346 16.863 32.994 1.00 12.55 N ATOM 227 CA LEU A 17 12.950 16.443 33.057 1.00 12.38 C ATOM 228 C LEU A 17 12.713 15.278 34.002 1.00 12.63 C ATOM 229 O LEU A 17 11.613 15.149 34.545 1.00 14.23 O ATOM 230 CB LEU A 17 12.398 16.173 31.645 1.00 11.83 C ATOM 231 CG LEU A 17 12.385 17.383 30.709 1.00 11.66 C ATOM 232 CD1 LEU A 17 12.035 16.956 29.263 1.00 12.70 C ATOM 233 CD2 LEU A 17 11.427 18.462 31.178 1.00 13.32 C ATOM 234 HA LEU A 17 12.389 17.273 33.486 1.00 0.00 H ATOM 235 HB2 LEU A 17 13.011 15.397 31.186 1.00 0.00 H ATOM 236 HB3 LEU A 17 11.374 15.813 31.746 1.00 0.00 H ATOM 237 HG LEU A 17 13.390 17.804 30.725 1.00 0.00 H ATOM 238 HD21 LEU A 17 10.416 18.056 31.220 1.00 0.00 H ATOM 239 HD22 LEU A 17 11.724 18.804 32.169 1.00 0.00 H ATOM 240 HD23 LEU A 17 11.455 19.299 30.480 1.00 0.00 H ATOM 241 HD11 LEU A 17 12.778 16.243 28.906 1.00 0.00 H ATOM 242 HD12 LEU A 17 11.049 16.491 29.251 1.00 0.00 H ATOM 243 HD13 LEU A 17 12.032 17.834 28.617 1.00 0.00 H ATOM 244 H LEU A 17 14.884 16.744 32.112 1.00 0.00 H ATOM 245 N ALA A 18 13.751 14.470 34.248 1.00 12.30 N ATOM 246 CA ALA A 18 13.635 13.320 35.154 1.00 12.22 C ATOM 247 C ALA A 18 13.890 13.642 36.641 1.00 12.97 C ATOM 248 O ALA A 18 13.757 12.764 37.505 1.00 13.06 O ATOM 249 CB ALA A 18 14.569 12.217 34.683 1.00 12.75 C ATOM 250 HA ALA A 18 12.595 12.998 35.109 1.00 0.00 H ATOM 251 HB1 ALA A 18 14.294 11.917 33.672 1.00 0.00 H ATOM 252 HB2 ALA A 18 15.595 12.585 34.687 1.00 0.00 H ATOM 253 HB3 ALA A 18 14.486 11.361 35.353 1.00 0.00 H ATOM 254 H ALA A 18 14.663 14.661 33.786 1.00 0.00 H ATOM 255 N ASN A 19 14.229 14.894 36.951 1.00 13.43 N ATOM 256 CA ASN A 19 14.543 15.334 38.308 1.00 14.27 C ATOM 257 C ASN A 19 13.728 16.564 38.658 1.00 14.67 C ATOM 258 O ASN A 19 14.032 17.672 38.187 1.00 13.81 O ATOM 259 CB ASN A 19 16.018 15.673 38.389 1.00 15.62 C ATOM 260 CG ASN A 19 16.490 15.931 39.790 1.00 18.08 C ATOM 261 OD1 ASN A 19 15.884 16.672 40.540 1.00 22.12 O ATOM 262 ND2 ASN A 19 17.612 15.312 40.152 1.00 26.03 N ATOM 263 HA ASN A 19 14.303 14.535 39.010 1.00 0.00 H ATOM 264 HB2 ASN A 19 16.588 14.839 37.979 1.00 0.00 H ATOM 265 HB3 ASN A 19 16.202 16.566 37.791 1.00 0.00 H ATOM 266 HD22 ASN A 19 18.100 14.686 39.480 1.00 0.00 H ATOM 267 HD21 ASN A 19 18.000 15.455 41.106 1.00 0.00 H ATOM 268 H ASN A 19 14.272 15.596 36.185 1.00 0.00 H ATOM 269 N LYS A 20 12.725 16.377 39.495 1.00 14.96 N ATOM 270 CA LYS A 20 11.806 17.449 39.861 1.00 15.42 C ATOM 271 C LYS A 20 12.495 18.683 40.422 1.00 15.05 C ATOM 272 O LYS A 20 12.113 19.807 40.095 1.00 14.13 O ATOM 273 CB LYS A 20 10.785 16.938 40.874 1.00 16.32 C ATOM 274 CG LYS A 20 9.749 17.986 41.254 1.00 18.90 C ATOM 275 CD LYS A 20 8.549 17.916 40.376 1.00 23.72 C ATOM 276 CE LYS A 20 7.733 16.678 40.738 1.00 26.38 C ATOM 277 NZ LYS A 20 6.632 16.392 39.779 1.00 29.48 N ATOM 278 HA LYS A 20 11.316 17.754 38.936 1.00 0.00 H ATOM 279 HB2 LYS A 20 10.269 16.079 40.445 1.00 0.00 H ATOM 280 HB3 LYS A 20 11.314 16.629 41.776 1.00 0.00 H ATOM 281 HG2 LYS A 20 9.442 17.821 42.287 1.00 0.00 H ATOM 282 HG3 LYS A 20 10.197 18.976 41.163 1.00 0.00 H ATOM 283 HD2 LYS A 20 7.940 18.809 40.519 1.00 0.00 H ATOM 284 HD3 LYS A 20 8.863 17.854 39.334 1.00 0.00 H ATOM 285 HE2 LYS A 20 7.300 16.827 41.727 1.00 0.00 H ATOM 286 HE3 LYS A 20 8.402 15.818 40.762 1.00 0.00 H ATOM 287 HZ1 LYS A 20 5.978 17.200 39.753 1.00 0.00 H ATOM 288 HZ2 LYS A 20 7.031 16.237 38.831 1.00 0.00 H ATOM 289 HZ3 LYS A 20 6.120 15.540 40.085 1.00 0.00 H ATOM 290 H LYS A 20 12.585 15.433 39.908 1.00 0.00 H ATOM 291 N ARG A 21 13.500 18.487 41.273 1.00 14.12 N ATOM 292 CA ARG A 21 14.222 19.625 41.832 1.00 15.26 C ATOM 293 C ARG A 21 14.882 20.461 40.724 1.00 14.66 C ATOM 294 O ARG A 21 14.856 21.692 40.772 1.00 14.42 O ATOM 295 CB ARG A 21 15.271 19.178 42.854 1.00 16.47 C ATOM 296 CG ARG A 21 14.704 18.396 44.031 1.00 17.81 C ATOM 297 CD ARG A 21 14.118 19.256 45.156 1.00 17.84 C ATOM 298 NE ARG A 21 12.841 19.888 44.844 1.00 18.10 N ATOM 299 CZ ARG A 21 11.673 19.271 44.654 1.00 21.34 C ATOM 300 NH1 ARG A 21 10.583 19.986 44.391 1.00 21.84 N ATOM 301 NH2 ARG A 21 11.575 17.946 44.729 1.00 25.13 N ATOM 302 HA ARG A 21 13.491 20.248 42.347 1.00 0.00 H ATOM 303 HB2 ARG A 21 15.999 18.547 42.343 1.00 0.00 H ATOM 304 HB3 ARG A 21 15.770 20.066 43.242 1.00 0.00 H ATOM 305 HG2 ARG A 21 13.914 17.745 43.656 1.00 0.00 H ATOM 306 HG3 ARG A 21 15.505 17.788 44.451 1.00 0.00 H ATOM 307 HD2 ARG A 21 14.836 20.041 45.391 1.00 0.00 H ATOM 308 HD3 ARG A 21 13.977 18.620 46.030 1.00 0.00 H ATOM 309 HE ARG A 21 12.841 20.925 44.761 1.00 0.00 H ATOM 310 HH12 ARG A 21 9.671 19.508 44.242 1.00 0.00 H ATOM 311 HH11 ARG A 21 10.642 21.023 44.334 1.00 0.00 H ATOM 312 HH22 ARG A 21 10.656 17.483 44.578 1.00 0.00 H ATOM 313 HH21 ARG A 21 12.417 17.373 44.939 1.00 0.00 H ATOM 314 H ARG A 21 13.771 17.519 41.540 1.00 0.00 H ATOM 315 N LEU A 22 15.465 19.811 39.724 1.00 13.71 N ATOM 316 CA LEU A 22 16.129 20.548 38.652 1.00 13.84 C ATOM 317 C LEU A 22 15.094 21.258 37.784 1.00 13.20 C ATOM 318 O LEU A 22 15.255 22.418 37.410 1.00 12.19 O ATOM 319 CB LEU A 22 16.963 19.608 37.797 1.00 14.39 C ATOM 320 CG LEU A 22 18.101 18.793 38.434 1.00 17.40 C ATOM 321 CD1 LEU A 22 18.857 17.987 37.394 1.00 18.30 C ATOM 322 CD2 LEU A 22 19.006 19.715 39.161 1.00 19.06 C ATOM 323 HA LEU A 22 16.789 21.291 39.101 1.00 0.00 H ATOM 324 HB2 LEU A 22 16.273 18.891 37.353 1.00 0.00 H ATOM 325 HB3 LEU A 22 17.412 20.214 37.010 1.00 0.00 H ATOM 326 HG LEU A 22 17.676 18.077 39.137 1.00 0.00 H ATOM 327 HD21 LEU A 22 19.420 20.442 38.462 1.00 0.00 H ATOM 328 HD22 LEU A 22 18.445 20.235 39.938 1.00 0.00 H ATOM 329 HD23 LEU A 22 19.816 19.144 39.615 1.00 0.00 H ATOM 330 HD11 LEU A 22 18.171 17.297 36.902 1.00 0.00 H ATOM 331 HD12 LEU A 22 19.287 18.663 36.655 1.00 0.00 H ATOM 332 HD13 LEU A 22 19.653 17.424 37.881 1.00 0.00 H ATOM 333 H LEU A 22 15.449 18.771 39.704 1.00 0.00 H ATOM 334 N LEU A 23 14.011 20.568 37.468 1.00 11.18 N ATOM 335 CA LEU A 23 12.971 21.150 36.637 1.00 12.01 C ATOM 336 C LEU A 23 12.322 22.375 37.320 1.00 12.11 C ATOM 337 O LEU A 23 12.146 23.443 36.699 1.00 12.30 O ATOM 338 CB LEU A 23 11.953 20.061 36.306 1.00 11.77 C ATOM 339 CG LEU A 23 10.713 20.515 35.549 1.00 13.35 C ATOM 340 CD1 LEU A 23 11.059 21.220 34.230 1.00 14.92 C ATOM 341 CD2 LEU A 23 9.768 19.314 35.321 1.00 15.06 C ATOM 342 HA LEU A 23 13.403 21.524 35.709 1.00 0.00 H ATOM 343 HB2 LEU A 23 12.456 19.307 35.701 1.00 0.00 H ATOM 344 HB3 LEU A 23 11.626 19.613 37.244 1.00 0.00 H ATOM 345 HG LEU A 23 10.198 21.256 36.161 1.00 0.00 H ATOM 346 HD21 LEU A 23 10.286 18.551 34.740 1.00 0.00 H ATOM 347 HD22 LEU A 23 9.471 18.899 36.284 1.00 0.00 H ATOM 348 HD23 LEU A 23 8.883 19.647 34.779 1.00 0.00 H ATOM 349 HD11 LEU A 23 11.668 22.100 34.439 1.00 0.00 H ATOM 350 HD12 LEU A 23 11.614 20.536 33.589 1.00 0.00 H ATOM 351 HD13 LEU A 23 10.139 21.524 33.730 1.00 0.00 H ATOM 352 H LEU A 23 13.902 19.595 37.819 1.00 0.00 H ATOM 353 N VAL A 24 11.981 22.241 38.610 1.00 12.14 N ATOM 354 CA VAL A 24 11.323 23.335 39.328 1.00 13.59 C ATOM 355 C VAL A 24 12.201 24.582 39.424 1.00 11.82 C ATOM 356 O VAL A 24 11.702 25.697 39.384 1.00 11.14 O ATOM 357 CB VAL A 24 10.830 22.880 40.734 1.00 14.58 C ATOM 358 CG1 VAL A 24 10.491 24.063 41.637 1.00 17.35 C ATOM 359 CG2 VAL A 24 9.648 21.930 40.593 1.00 16.39 C ATOM 360 HA VAL A 24 10.448 23.611 38.740 1.00 0.00 H ATOM 361 HB VAL A 24 11.649 22.348 41.218 1.00 0.00 H ATOM 362 HG11 VAL A 24 11.379 24.681 41.772 1.00 0.00 H ATOM 363 HG12 VAL A 24 9.701 24.656 41.176 1.00 0.00 H ATOM 364 HG13 VAL A 24 10.152 23.694 42.605 1.00 0.00 H ATOM 365 HG21 VAL A 24 8.834 22.439 40.076 1.00 0.00 H ATOM 366 HG22 VAL A 24 9.954 21.054 40.020 1.00 0.00 H ATOM 367 HG23 VAL A 24 9.313 21.619 41.583 1.00 0.00 H ATOM 368 H VAL A 24 12.186 21.350 39.106 1.00 0.00 H ATOM 369 N ALA A 25 13.509 24.403 39.527 1.00 11.12 N ATOM 370 CA ALA A 25 14.398 25.553 39.559 1.00 11.24 C ATOM 371 C ALA A 25 14.253 26.361 38.270 1.00 10.82 C ATOM 372 O ALA A 25 14.203 27.589 38.330 1.00 11.53 O ATOM 373 CB ALA A 25 15.837 25.130 39.747 1.00 11.70 C ATOM 374 HA ALA A 25 14.116 26.175 40.409 1.00 0.00 H ATOM 375 HB1 ALA A 25 15.935 24.589 40.688 1.00 0.00 H ATOM 376 HB2 ALA A 25 16.135 24.483 38.922 1.00 0.00 H ATOM 377 HB3 ALA A 25 16.475 26.014 39.766 1.00 0.00 H ATOM 378 H ALA A 25 13.900 23.441 39.585 1.00 0.00 H ATOM 379 N TYR A 26 14.196 25.695 37.103 1.00 11.27 N ATOM 380 CA TYR A 26 14.028 26.425 35.852 1.00 10.51 C ATOM 381 C TYR A 26 12.627 27.030 35.752 1.00 10.28 C ATOM 382 O TYR A 26 12.456 28.178 35.346 1.00 10.77 O ATOM 383 CB TYR A 26 14.256 25.522 34.635 1.00 11.34 C ATOM 384 CG TYR A 26 15.675 25.134 34.396 1.00 11.98 C ATOM 385 CD1 TYR A 26 16.589 26.066 33.927 1.00 13.92 C ATOM 386 CD2 TYR A 26 16.111 23.844 34.609 1.00 11.48 C ATOM 387 CE1 TYR A 26 17.925 25.688 33.685 1.00 15.76 C ATOM 388 CE2 TYR A 26 17.414 23.470 34.394 1.00 15.39 C ATOM 389 CZ TYR A 26 18.315 24.389 33.921 1.00 16.08 C ATOM 390 OH TYR A 26 19.636 24.001 33.701 1.00 19.98 O ATOM 391 HA TYR A 26 14.774 27.220 35.854 1.00 0.00 H ATOM 392 HB3 TYR A 26 13.895 26.048 33.751 1.00 0.00 H ATOM 393 HB2 TYR A 26 13.675 24.611 34.776 1.00 0.00 H ATOM 394 HD2 TYR A 26 15.399 23.097 34.959 1.00 0.00 H ATOM 395 HE2 TYR A 26 17.731 22.447 34.598 1.00 0.00 H ATOM 396 HE1 TYR A 26 18.644 26.418 33.314 1.00 0.00 H ATOM 397 HD1 TYR A 26 16.273 27.093 33.745 1.00 0.00 H ATOM 398 HH TYR A 26 20.032 23.684 34.551 1.00 0.00 H ATOM 399 H TYR A 26 14.272 24.658 37.093 1.00 0.00 H ATOM 400 N VAL A 27 11.614 26.282 36.180 1.00 10.99 N ATOM 401 CA VAL A 27 10.259 26.804 36.134 1.00 11.02 C ATOM 402 C VAL A 27 10.081 28.068 37.011 1.00 10.97 C ATOM 403 O VAL A 27 9.521 29.072 36.565 1.00 10.95 O ATOM 404 CB VAL A 27 9.222 25.745 36.558 1.00 11.70 C ATOM 405 CG1 VAL A 27 7.859 26.371 36.644 1.00 12.85 C ATOM 406 CG2 VAL A 27 9.232 24.604 35.579 1.00 12.16 C ATOM 407 HA VAL A 27 10.086 27.078 35.093 1.00 0.00 H ATOM 408 HB VAL A 27 9.480 25.355 37.542 1.00 0.00 H ATOM 409 HG11 VAL A 27 7.875 27.174 37.380 1.00 0.00 H ATOM 410 HG12 VAL A 27 7.584 26.775 35.670 1.00 0.00 H ATOM 411 HG13 VAL A 27 7.132 25.616 36.944 1.00 0.00 H ATOM 412 HG21 VAL A 27 8.982 24.977 34.586 1.00 0.00 H ATOM 413 HG22 VAL A 27 10.224 24.152 35.560 1.00 0.00 H ATOM 414 HG23 VAL A 27 8.497 23.859 35.884 1.00 0.00 H ATOM 415 H VAL A 27 11.792 25.325 36.547 1.00 0.00 H ATOM 416 N ASN A 28 10.584 28.023 38.245 1.00 10.47 N ATOM 417 CA ASN A 28 10.470 29.193 39.122 1.00 10.80 C ATOM 418 C ASN A 28 11.221 30.402 38.578 1.00 10.38 C ATOM 419 O ASN A 28 10.777 31.545 38.723 1.00 10.96 O ATOM 420 CB ASN A 28 10.924 28.846 40.543 1.00 10.90 C ATOM 421 CG ASN A 28 9.985 27.870 41.259 1.00 11.98 C ATOM 422 OD1 ASN A 28 10.393 27.176 42.232 1.00 13.96 O ATOM 423 ND2 ASN A 28 8.766 27.794 40.807 1.00 12.80 N ATOM 424 HA ASN A 28 9.417 29.473 39.155 1.00 0.00 H ATOM 425 HB2 ASN A 28 11.915 28.396 40.489 1.00 0.00 H ATOM 426 HB3 ASN A 28 10.975 29.767 41.124 1.00 0.00 H ATOM 427 HD22 ASN A 28 8.472 28.384 40.003 1.00 0.00 H ATOM 428 HD21 ASN A 28 8.087 27.143 41.250 1.00 0.00 H ATOM 429 H ASN A 28 11.056 27.161 38.585 1.00 0.00 H ATOM 430 N CYS A 29 12.350 30.151 37.917 1.00 9.88 N ATOM 431 CA CYS A 29 13.099 31.244 37.298 1.00 11.19 C ATOM 432 C CYS A 29 12.272 31.903 36.178 1.00 10.25 C ATOM 433 O CYS A 29 12.094 33.132 36.127 1.00 11.77 O ATOM 434 CB CYS A 29 14.412 30.717 36.718 1.00 11.58 C ATOM 435 SG CYS A 29 15.223 31.721 35.423 1.00 12.98 S ATOM 436 HA CYS A 29 13.313 31.989 38.064 1.00 0.00 H ATOM 437 HB2 CYS A 29 14.210 29.734 36.292 1.00 0.00 H ATOM 438 HB3 CYS A 29 15.117 30.616 37.543 1.00 0.00 H ATOM 439 H CYS A 29 12.700 29.175 37.841 1.00 0.00 H ATOM 440 N VAL A 30 11.772 31.089 35.257 1.00 11.07 N ATOM 441 CA VAL A 30 11.030 31.618 34.111 1.00 11.57 C ATOM 442 C VAL A 30 9.708 32.237 34.541 1.00 11.80 C ATOM 443 O VAL A 30 9.228 33.172 33.910 1.00 11.39 O ATOM 444 CB VAL A 30 10.855 30.508 33.036 1.00 11.87 C ATOM 445 CG1 VAL A 30 9.937 30.919 31.938 1.00 14.90 C ATOM 446 CG2 VAL A 30 12.192 30.131 32.459 1.00 12.50 C ATOM 447 HA VAL A 30 11.604 32.427 33.659 1.00 0.00 H ATOM 448 HB VAL A 30 10.408 29.649 33.536 1.00 0.00 H ATOM 449 HG11 VAL A 30 8.954 31.144 32.353 1.00 0.00 H ATOM 450 HG12 VAL A 30 10.336 31.805 31.445 1.00 0.00 H ATOM 451 HG13 VAL A 30 9.851 30.108 31.215 1.00 0.00 H ATOM 452 HG21 VAL A 30 12.647 31.007 31.998 1.00 0.00 H ATOM 453 HG22 VAL A 30 12.838 29.760 33.255 1.00 0.00 H ATOM 454 HG23 VAL A 30 12.056 29.353 31.708 1.00 0.00 H ATOM 455 H VAL A 30 11.909 30.062 35.350 1.00 0.00 H ATOM 456 N MET A 31 9.129 31.749 35.642 1.00 11.16 N ATOM 457 CA MET A 31 7.894 32.337 36.172 1.00 12.54 C ATOM 458 C MET A 31 8.174 33.597 37.024 1.00 13.95 C ATOM 459 O MET A 31 7.253 34.187 37.576 1.00 15.86 O ATOM 460 CB MET A 31 7.121 31.320 37.021 1.00 12.28 C ATOM 461 CG MET A 31 6.455 30.245 36.212 1.00 12.75 C ATOM 462 SD MET A 31 5.254 30.784 34.970 1.00 13.27 S ATOM 463 CE MET A 31 4.044 31.591 36.067 1.00 15.42 C ATOM 464 HA MET A 31 7.292 32.626 35.310 1.00 0.00 H ATOM 465 HB2 MET A 31 7.818 30.849 37.714 1.00 0.00 H ATOM 466 HB3 MET A 31 6.355 31.852 37.584 1.00 0.00 H ATOM 467 HG2 MET A 31 5.937 29.583 36.906 1.00 0.00 H ATOM 468 HG3 MET A 31 7.237 29.689 35.695 1.00 0.00 H ATOM 469 HE1 MET A 31 3.658 30.862 36.779 1.00 0.00 H ATOM 470 HE2 MET A 31 4.530 32.405 36.606 1.00 0.00 H ATOM 471 HE3 MET A 31 3.223 31.988 35.470 1.00 0.00 H ATOM 472 H MET A 31 9.561 30.939 36.131 1.00 0.00 H ATOM 473 N GLU A 32 9.439 34.015 37.112 1.00 13.99 N ATOM 474 CA GLU A 32 9.834 35.229 37.837 1.00 15.51 C ATOM 475 C GLU A 32 9.483 35.202 39.335 1.00 16.18 C ATOM 476 O GLU A 32 9.040 36.208 39.914 1.00 17.67 O ATOM 477 CB GLU A 32 9.283 36.474 37.117 1.00 16.28 C ATOM 478 CG GLU A 32 9.699 36.579 35.635 1.00 17.53 C ATOM 479 CD GLU A 32 9.423 37.941 34.993 1.00 19.63 C ATOM 480 OE1 GLU A 32 10.006 38.951 35.476 1.00 22.95 O ATOM 481 OE2 GLU A 32 8.659 38.015 33.999 1.00 21.23 O ATOM 482 HA GLU A 32 10.923 35.275 37.822 1.00 0.00 H ATOM 483 HB2 GLU A 32 8.195 36.445 37.166 1.00 0.00 H ATOM 484 HB3 GLU A 32 9.645 37.360 37.638 1.00 0.00 H ATOM 485 HG2 GLU A 32 10.769 36.380 35.566 1.00 0.00 H ATOM 486 HG3 GLU A 32 9.153 35.821 35.073 1.00 0.00 H ATOM 487 H GLU A 32 10.180 33.454 36.645 1.00 0.00 H ATOM 488 N ARG A 33 9.708 34.044 39.947 1.00 15.59 N ATOM 489 CA ARG A 33 9.480 33.868 41.385 1.00 16.38 C ATOM 490 C ARG A 33 10.624 33.127 42.092 1.00 16.68 C ATOM 491 O ARG A 33 10.518 32.823 43.280 1.00 18.63 O ATOM 492 CB ARG A 33 8.153 33.160 41.640 1.00 16.83 C ATOM 493 CG ARG A 33 8.045 31.779 41.065 1.00 16.80 C ATOM 494 CD ARG A 33 6.776 31.035 41.510 1.00 18.81 C ATOM 495 NE ARG A 33 6.677 29.709 40.910 1.00 19.66 N ATOM 496 CZ ARG A 33 5.693 29.275 40.121 1.00 18.32 C ATOM 497 NH1 ARG A 33 5.742 28.037 39.665 1.00 20.39 N ATOM 498 NH2 ARG A 33 4.665 30.043 39.786 1.00 21.26 N ATOM 499 HA ARG A 33 9.443 34.870 41.813 1.00 0.00 H ATOM 500 HB2 ARG A 33 8.010 33.089 42.718 1.00 0.00 H ATOM 501 HB3 ARG A 33 7.358 33.768 41.209 1.00 0.00 H ATOM 502 HG2 ARG A 33 8.039 31.856 39.978 1.00 0.00 H ATOM 503 HG3 ARG A 33 8.914 31.203 41.382 1.00 0.00 H ATOM 504 HD2 ARG A 33 5.904 31.620 41.216 1.00 0.00 H ATOM 505 HD3 ARG A 33 6.792 30.930 42.595 1.00 0.00 H ATOM 506 HE ARG A 33 7.445 29.039 41.117 1.00 0.00 H ATOM 507 HH12 ARG A 33 4.985 27.680 39.048 1.00 0.00 H ATOM 508 HH11 ARG A 33 6.538 27.419 39.922 1.00 0.00 H ATOM 509 HH22 ARG A 33 3.916 29.669 39.168 1.00 0.00 H ATOM 510 HH21 ARG A 33 4.608 31.019 40.141 1.00 0.00 H ATOM 511 H ARG A 33 10.056 33.238 39.389 1.00 0.00 H ATOM 512 N GLY A 34 11.717 32.832 41.389 1.00 15.88 N ATOM 513 CA GLY A 34 12.866 32.149 41.953 1.00 15.59 C ATOM 514 C GLY A 34 14.151 32.580 41.264 1.00 15.14 C ATOM 515 O GLY A 34 14.128 33.180 40.171 1.00 16.06 O ATOM 516 HA3 GLY A 34 12.738 31.074 41.828 1.00 0.00 H ATOM 517 HA2 GLY A 34 12.935 32.385 43.015 1.00 0.00 H ATOM 518 H GLY A 34 11.748 33.105 40.386 1.00 0.00 H ATOM 519 N LYS A 35 15.274 32.266 41.893 1.00 14.90 N ATOM 520 CA LYS A 35 16.579 32.625 41.365 1.00 16.18 C ATOM 521 C LYS A 35 16.866 31.862 40.064 1.00 15.62 C ATOM 522 O LYS A 35 16.427 30.729 39.888 1.00 16.10 O ATOM 523 CB LYS A 35 17.649 32.306 42.412 1.00 17.10 C ATOM 524 CG LYS A 35 17.450 32.971 43.775 1.00 22.40 C ATOM 525 CD LYS A 35 17.908 34.413 43.810 1.00 24.80 C ATOM 526 CE LYS A 35 18.164 34.817 45.258 1.00 26.36 C ATOM 527 NZ LYS A 35 18.830 36.140 45.411 1.00 28.30 N ATOM 528 HA LYS A 35 16.593 33.692 41.141 1.00 0.00 H ATOM 529 HB2 LYS A 35 17.662 31.227 42.563 1.00 0.00 H ATOM 530 HB3 LYS A 35 18.613 32.628 42.018 1.00 0.00 H ATOM 531 HG2 LYS A 35 16.389 32.938 44.025 1.00 0.00 H ATOM 532 HG3 LYS A 35 18.015 32.410 44.520 1.00 0.00 H ATOM 533 HD2 LYS A 35 18.826 34.519 43.233 1.00 0.00 H ATOM 534 HD3 LYS A 35 17.136 35.053 43.383 1.00 0.00 H ATOM 535 HE2 LYS A 35 18.798 34.059 45.718 1.00 0.00 H ATOM 536 HE3 LYS A 35 17.207 34.853 45.778 1.00 0.00 H ATOM 537 HZ1 LYS A 35 19.752 36.120 44.930 1.00 0.00 H ATOM 538 HZ2 LYS A 35 18.233 36.878 44.987 1.00 0.00 H ATOM 539 HZ3 LYS A 35 18.969 36.342 46.422 1.00 0.00 H ATOM 540 H LYS A 35 15.220 31.747 42.792 1.00 0.00 H ATOM 541 N CYS A 36 17.631 32.484 39.182 1.00 15.23 N ATOM 542 CA CYS A 36 17.974 31.888 37.895 1.00 15.23 C ATOM 543 C CYS A 36 19.434 31.467 37.802 1.00 15.03 C ATOM 544 O CYS A 36 20.341 32.189 38.270 1.00 16.69 O ATOM 545 CB CYS A 36 17.712 32.896 36.758 1.00 14.82 C ATOM 546 SG CYS A 36 15.971 33.342 36.438 1.00 16.56 S ATOM 547 HA CYS A 36 17.348 31.001 37.801 1.00 0.00 H ATOM 548 HB2 CYS A 36 18.118 32.471 35.840 1.00 0.00 H ATOM 549 HB3 CYS A 36 18.249 33.813 37.000 1.00 0.00 H ATOM 550 H CYS A 36 18.000 33.428 39.413 1.00 0.00 H ATOM 551 N SER A 37 19.650 30.345 37.119 1.00 14.85 N ATOM 552 CA SER A 37 20.964 29.905 36.693 1.00 14.39 C ATOM 553 C SER A 37 21.273 30.701 35.411 1.00 14.69 C ATOM 554 O SER A 37 20.368 31.342 34.839 1.00 12.95 O ATOM 555 CB SER A 37 20.926 28.417 36.382 1.00 14.61 C ATOM 556 OG SER A 37 20.011 28.184 35.314 1.00 13.82 O ATOM 557 HA SER A 37 21.720 30.069 37.461 1.00 0.00 H ATOM 558 HB2 SER A 37 20.602 27.868 37.266 1.00 0.00 H ATOM 559 HB3 SER A 37 21.921 28.080 36.090 1.00 0.00 H ATOM 560 HG SER A 37 19.109 28.491 35.581 1.00 0.00 H ATOM 561 H SER A 37 18.831 29.751 36.878 1.00 0.00 H ATOM 562 N PRO A 38 22.510 30.690 34.929 1.00 14.43 N ATOM 563 CA PRO A 38 22.807 31.398 33.674 1.00 14.81 C ATOM 564 C PRO A 38 21.934 30.941 32.500 1.00 13.73 C ATOM 565 O PRO A 38 21.444 31.762 31.728 1.00 12.57 O ATOM 566 CB PRO A 38 24.295 31.087 33.439 1.00 15.57 C ATOM 567 CG PRO A 38 24.811 30.867 34.835 1.00 15.43 C ATOM 568 CD PRO A 38 23.716 30.088 35.534 1.00 15.21 C ATOM 569 HA PRO A 38 22.594 32.465 33.745 1.00 0.00 H ATOM 570 HD3 PRO A 38 23.783 29.022 35.318 1.00 0.00 H ATOM 571 HD2 PRO A 38 23.742 30.241 36.613 1.00 0.00 H ATOM 572 HG3 PRO A 38 24.984 31.820 35.335 1.00 0.00 H ATOM 573 HG2 PRO A 38 25.738 30.294 34.816 1.00 0.00 H ATOM 574 HB2 PRO A 38 24.418 30.193 32.828 1.00 0.00 H ATOM 575 HB3 PRO A 38 24.801 31.925 32.960 1.00 0.00 H ATOM 576 N GLU A 39 21.738 29.640 32.375 1.00 13.27 N ATOM 577 CA GLU A 39 20.926 29.074 31.309 1.00 14.35 C ATOM 578 C GLU A 39 19.447 29.470 31.490 1.00 12.93 C ATOM 579 O GLU A 39 18.748 29.773 30.517 1.00 12.68 O ATOM 580 CB GLU A 39 21.056 27.544 31.305 1.00 16.19 C ATOM 581 CG GLU A 39 22.470 27.002 31.127 1.00 18.58 C ATOM 582 CD GLU A 39 23.221 26.774 32.433 1.00 21.72 C ATOM 583 OE1 GLU A 39 22.864 27.373 33.468 1.00 20.35 O ATOM 584 OE2 GLU A 39 24.211 25.996 32.432 1.00 26.40 O ATOM 585 HA GLU A 39 21.281 29.468 30.357 1.00 0.00 H ATOM 586 HB2 GLU A 39 20.671 27.172 32.255 1.00 0.00 H ATOM 587 HB3 GLU A 39 20.444 27.158 30.490 1.00 0.00 H ATOM 588 HG2 GLU A 39 22.408 26.051 30.598 1.00 0.00 H ATOM 589 HG3 GLU A 39 23.036 27.714 30.527 1.00 0.00 H ATOM 590 H GLU A 39 22.180 28.998 33.063 1.00 0.00 H ATOM 591 N GLY A 40 18.958 29.450 32.728 1.00 11.65 N ATOM 592 CA GLY A 40 17.596 29.813 33.003 1.00 10.60 C ATOM 593 C GLY A 40 17.311 31.259 32.672 1.00 10.33 C ATOM 594 O GLY A 40 16.255 31.586 32.140 1.00 10.32 O ATOM 595 HA3 GLY A 40 17.396 29.649 34.062 1.00 0.00 H ATOM 596 HA2 GLY A 40 16.937 29.180 32.408 1.00 0.00 H ATOM 597 H GLY A 40 19.576 29.165 33.514 1.00 0.00 H ATOM 598 N LYS A 41 18.244 32.128 33.009 1.00 11.24 N ATOM 599 CA LYS A 41 18.124 33.554 32.727 1.00 11.78 C ATOM 600 C LYS A 41 18.083 33.773 31.205 1.00 12.23 C ATOM 601 O LYS A 41 17.285 34.553 30.706 1.00 11.88 O ATOM 602 CB LYS A 41 19.297 34.307 33.356 1.00 12.35 C ATOM 603 CG LYS A 41 19.220 35.819 33.266 1.00 14.91 C ATOM 604 CD LYS A 41 20.391 36.423 34.050 1.00 16.89 C ATOM 605 CE LYS A 41 20.375 37.940 34.054 1.00 20.41 C ATOM 606 NZ LYS A 41 20.664 38.552 32.729 1.00 21.72 N ATOM 607 HA LYS A 41 17.200 33.939 33.159 1.00 0.00 H ATOM 608 HB2 LYS A 41 19.346 34.034 34.410 1.00 0.00 H ATOM 609 HB3 LYS A 41 20.211 33.986 32.856 1.00 0.00 H ATOM 610 HG2 LYS A 41 19.280 36.127 32.222 1.00 0.00 H ATOM 611 HG3 LYS A 41 18.278 36.164 33.692 1.00 0.00 H ATOM 612 HD2 LYS A 41 20.339 36.071 35.080 1.00 0.00 H ATOM 613 HD3 LYS A 41 21.324 36.085 33.599 1.00 0.00 H ATOM 614 HE2 LYS A 41 21.125 38.289 34.764 1.00 0.00 H ATOM 615 HE3 LYS A 41 19.388 38.272 34.377 1.00 0.00 H ATOM 616 HZ1 LYS A 41 21.608 38.255 32.410 1.00 0.00 H ATOM 617 HZ2 LYS A 41 19.950 38.239 32.041 1.00 0.00 H ATOM 618 HZ3 LYS A 41 20.635 39.588 32.813 1.00 0.00 H ATOM 619 H LYS A 41 19.097 31.784 33.494 1.00 0.00 H ATOM 620 N GLU A 42 18.946 33.070 30.473 1.00 12.08 N ATOM 621 CA GLU A 42 18.964 33.182 29.001 1.00 12.82 C ATOM 622 C GLU A 42 17.628 32.727 28.425 1.00 11.84 C ATOM 623 O GLU A 42 17.072 33.376 27.514 1.00 12.04 O ATOM 624 CB GLU A 42 20.132 32.366 28.421 1.00 12.99 C ATOM 625 CG GLU A 42 20.446 32.628 26.945 1.00 16.30 C ATOM 626 CD GLU A 42 21.248 33.900 26.697 1.00 18.37 C ATOM 627 OE1 GLU A 42 22.024 34.336 27.588 1.00 22.56 O ATOM 628 OE2 GLU A 42 21.125 34.466 25.589 1.00 23.72 O ATOM 629 HA GLU A 42 19.113 34.225 28.722 1.00 0.00 H ATOM 630 HB2 GLU A 42 21.025 32.597 29.001 1.00 0.00 H ATOM 631 HB3 GLU A 42 19.892 31.309 28.532 1.00 0.00 H ATOM 632 HG2 GLU A 42 21.017 31.783 26.561 1.00 0.00 H ATOM 633 HG3 GLU A 42 19.504 32.706 26.403 1.00 0.00 H ATOM 634 H GLU A 42 19.618 32.432 30.946 1.00 0.00 H ATOM 635 N LEU A 43 17.089 31.606 28.913 1.00 11.48 N ATOM 636 CA LEU A 43 15.797 31.158 28.442 1.00 11.23 C ATOM 637 C LEU A 43 14.719 32.190 28.758 1.00 11.93 C ATOM 638 O LEU A 43 13.928 32.560 27.894 1.00 11.71 O ATOM 639 CB LEU A 43 15.434 29.804 29.086 1.00 11.84 C ATOM 640 CG LEU A 43 14.013 29.315 28.798 1.00 11.68 C ATOM 641 CD1 LEU A 43 13.736 29.190 27.292 1.00 14.36 C ATOM 642 CD2 LEU A 43 13.752 27.983 29.514 1.00 14.42 C ATOM 643 HA LEU A 43 15.852 31.034 27.360 1.00 0.00 H ATOM 644 HB2 LEU A 43 16.132 29.054 28.715 1.00 0.00 H ATOM 645 HB3 LEU A 43 15.547 29.901 30.166 1.00 0.00 H ATOM 646 HG LEU A 43 13.324 30.065 29.186 1.00 0.00 H ATOM 647 HD21 LEU A 43 14.464 27.237 29.161 1.00 0.00 H ATOM 648 HD22 LEU A 43 13.870 28.120 30.589 1.00 0.00 H ATOM 649 HD23 LEU A 43 12.737 27.649 29.299 1.00 0.00 H ATOM 650 HD11 LEU A 43 13.862 30.164 26.819 1.00 0.00 H ATOM 651 HD12 LEU A 43 14.435 28.478 26.853 1.00 0.00 H ATOM 652 HD13 LEU A 43 12.715 28.840 27.139 1.00 0.00 H ATOM 653 H LEU A 43 17.599 31.055 29.632 1.00 0.00 H ATOM 654 N LYS A 44 14.659 32.659 30.003 1.00 11.50 N ATOM 655 CA LYS A 44 13.651 33.632 30.400 1.00 11.20 C ATOM 656 C LYS A 44 13.662 34.880 29.509 1.00 11.95 C ATOM 657 O LYS A 44 12.591 35.397 29.122 1.00 12.47 O ATOM 658 CB LYS A 44 13.874 34.029 31.871 1.00 11.07 C ATOM 659 CG LYS A 44 12.918 35.051 32.401 1.00 12.61 C ATOM 660 CD LYS A 44 13.279 35.519 33.794 1.00 17.75 C ATOM 661 CE LYS A 44 14.658 36.154 33.864 1.00 21.67 C ATOM 662 NZ LYS A 44 15.095 36.533 35.247 1.00 27.36 N ATOM 663 HA LYS A 44 12.673 33.165 30.282 1.00 0.00 H ATOM 664 HB2 LYS A 44 13.783 33.131 32.482 1.00 0.00 H ATOM 665 HB3 LYS A 44 14.884 34.429 31.964 1.00 0.00 H ATOM 666 HG2 LYS A 44 12.920 35.911 31.732 1.00 0.00 H ATOM 667 HG3 LYS A 44 11.919 34.615 32.427 1.00 0.00 H ATOM 668 HD2 LYS A 44 12.541 36.253 34.117 1.00 0.00 H ATOM 669 HD3 LYS A 44 13.256 34.662 34.467 1.00 0.00 H ATOM 670 HE2 LYS A 44 14.651 37.054 33.250 1.00 0.00 H ATOM 671 HE3 LYS A 44 15.381 35.445 33.460 1.00 0.00 H ATOM 672 HZ1 LYS A 44 14.423 37.220 35.646 1.00 0.00 H ATOM 673 HZ2 LYS A 44 15.121 35.683 35.846 1.00 0.00 H ATOM 674 HZ3 LYS A 44 16.043 36.958 35.205 1.00 0.00 H ATOM 675 H LYS A 44 15.347 32.323 30.707 1.00 0.00 H ATOM 676 N GLU A 45 14.861 35.318 29.147 1.00 10.84 N ATOM 677 CA GLU A 45 15.054 36.526 28.358 1.00 11.19 C ATOM 678 C GLU A 45 14.725 36.395 26.879 1.00 11.30 C ATOM 679 O GLU A 45 14.635 37.404 26.173 1.00 11.26 O ATOM 680 CB GLU A 45 16.474 37.039 28.539 1.00 11.78 C ATOM 681 CG GLU A 45 16.715 37.520 29.963 1.00 12.67 C ATOM 682 CD GLU A 45 18.146 37.871 30.296 1.00 15.37 C ATOM 683 OE1 GLU A 45 19.068 37.500 29.538 1.00 16.99 O ATOM 684 OE2 GLU A 45 18.336 38.490 31.363 1.00 17.00 O ATOM 685 HA GLU A 45 14.329 37.243 28.744 1.00 0.00 H ATOM 686 HB2 GLU A 45 17.173 36.234 28.313 1.00 0.00 H ATOM 687 HB3 GLU A 45 16.642 37.868 27.851 1.00 0.00 H ATOM 688 HG2 GLU A 45 16.104 38.408 30.126 1.00 0.00 H ATOM 689 HG3 GLU A 45 16.395 36.731 30.643 1.00 0.00 H ATOM 690 H GLU A 45 15.699 34.775 29.439 1.00 0.00 H ATOM 691 N HIS A 46 14.544 35.176 26.397 1.00 10.78 N ATOM 692 CA HIS A 46 14.207 34.950 24.990 1.00 10.72 C ATOM 693 C HIS A 46 12.879 34.273 24.763 1.00 10.64 C ATOM 694 O HIS A 46 12.423 34.191 23.614 1.00 11.01 O ATOM 695 CB HIS A 46 15.363 34.198 24.293 1.00 11.71 C ATOM 696 CG HIS A 46 16.614 35.001 24.275 1.00 12.82 C ATOM 697 ND1 HIS A 46 17.479 35.042 25.346 1.00 13.51 N ATOM 698 CD2 HIS A 46 17.074 35.908 23.388 1.00 14.51 C ATOM 699 CE1 HIS A 46 18.449 35.903 25.093 1.00 16.39 C ATOM 700 NE2 HIS A 46 18.235 36.436 23.906 1.00 17.38 N ATOM 701 HA HIS A 46 14.084 35.934 24.538 1.00 0.00 H ATOM 702 HB2 HIS A 46 15.550 33.266 24.826 1.00 0.00 H ATOM 703 HB3 HIS A 46 15.071 33.976 23.266 1.00 0.00 H ATOM 704 HD2 HIS A 46 16.612 36.173 22.437 1.00 0.00 H ATOM 705 HE1 HIS A 46 19.285 36.134 25.754 1.00 0.00 H ATOM 706 H HIS A 46 14.643 34.359 27.033 1.00 0.00 H ATOM 707 N LEU A 47 12.206 33.797 25.804 1.00 10.53 N ATOM 708 CA LEU A 47 10.970 33.050 25.625 1.00 11.32 C ATOM 709 C LEU A 47 9.833 33.865 25.002 1.00 11.45 C ATOM 710 O LEU A 47 9.147 33.395 24.072 1.00 11.94 O ATOM 711 CB LEU A 47 10.510 32.440 26.975 1.00 11.48 C ATOM 712 CG LEU A 47 9.245 31.578 26.962 1.00 12.89 C ATOM 713 CD1 LEU A 47 9.309 30.491 25.903 1.00 13.79 C ATOM 714 CD2 LEU A 47 9.015 30.969 28.320 1.00 13.74 C ATOM 715 HA LEU A 47 11.200 32.258 24.913 1.00 0.00 H ATOM 716 HB2 LEU A 47 11.325 31.820 27.349 1.00 0.00 H ATOM 717 HB3 LEU A 47 10.337 33.266 27.665 1.00 0.00 H ATOM 718 HG LEU A 47 8.408 32.230 26.713 1.00 0.00 H ATOM 719 HD21 LEU A 47 9.869 30.346 28.587 1.00 0.00 H ATOM 720 HD22 LEU A 47 8.898 31.763 29.058 1.00 0.00 H ATOM 721 HD23 LEU A 47 8.112 30.359 28.295 1.00 0.00 H ATOM 722 HD11 LEU A 47 9.420 30.949 24.920 1.00 0.00 H ATOM 723 HD12 LEU A 47 10.162 29.842 26.101 1.00 0.00 H ATOM 724 HD13 LEU A 47 8.391 29.904 25.930 1.00 0.00 H ATOM 725 H LEU A 47 12.569 33.961 26.765 1.00 0.00 H ATOM 726 N GLN A 48 9.625 35.090 25.474 1.00 11.27 N ATOM 727 CA GLN A 48 8.549 35.909 24.916 1.00 12.15 C ATOM 728 C GLN A 48 8.759 36.131 23.412 1.00 11.43 C ATOM 729 O GLN A 48 7.812 35.991 22.596 1.00 11.86 O ATOM 730 CB GLN A 48 8.443 37.260 25.610 1.00 12.55 C ATOM 731 CG GLN A 48 7.155 37.981 25.314 1.00 13.08 C ATOM 732 CD GLN A 48 5.968 37.201 25.794 1.00 14.17 C ATOM 733 OE1 GLN A 48 5.812 37.000 27.004 1.00 16.47 O ATOM 734 NE2 GLN A 48 5.137 36.749 24.874 1.00 14.94 N ATOM 735 HA GLN A 48 7.620 35.363 25.081 1.00 0.00 H ATOM 736 HB2 GLN A 48 8.513 37.103 26.686 1.00 0.00 H ATOM 737 HB3 GLN A 48 9.273 37.885 25.281 1.00 0.00 H ATOM 738 HG2 GLN A 48 7.168 38.950 25.813 1.00 0.00 H ATOM 739 HG3 GLN A 48 7.071 38.129 24.237 1.00 0.00 H ATOM 740 HE22 GLN A 48 5.316 36.947 23.869 1.00 0.00 H ATOM 741 HE21 GLN A 48 4.303 36.194 25.154 1.00 0.00 H ATOM 742 H GLN A 48 10.225 35.465 26.237 1.00 0.00 H ATOM 743 N ASP A 49 9.983 36.490 23.040 1.00 11.47 N ATOM 744 CA ASP A 49 10.328 36.720 21.641 1.00 11.27 C ATOM 745 C ASP A 49 10.028 35.472 20.816 1.00 10.57 C ATOM 746 O ASP A 49 9.467 35.547 19.713 1.00 10.80 O ATOM 747 CB ASP A 49 11.806 37.112 21.494 1.00 12.02 C ATOM 748 CG ASP A 49 12.201 37.380 20.065 1.00 13.15 C ATOM 749 OD1 ASP A 49 11.850 38.442 19.510 1.00 15.97 O ATOM 750 OD2 ASP A 49 12.873 36.546 19.432 1.00 14.94 O ATOM 751 HA ASP A 49 9.721 37.546 21.271 1.00 0.00 H ATOM 752 HB2 ASP A 49 11.987 38.013 22.080 1.00 0.00 H ATOM 753 HB3 ASP A 49 12.422 36.299 21.879 1.00 0.00 H ATOM 754 H ASP A 49 10.717 36.611 23.767 1.00 0.00 H ATOM 755 N ALA A 50 10.403 34.300 21.305 1.00 10.37 N ATOM 756 CA ALA A 50 10.206 33.065 20.554 1.00 10.72 C ATOM 757 C ALA A 50 8.723 32.779 20.347 1.00 11.51 C ATOM 758 O ALA A 50 8.328 32.215 19.317 1.00 11.69 O ATOM 759 CB ALA A 50 10.878 31.920 21.248 1.00 11.07 C ATOM 760 HA ALA A 50 10.660 33.188 19.571 1.00 0.00 H ATOM 761 HB1 ALA A 50 11.946 32.122 21.328 1.00 0.00 H ATOM 762 HB2 ALA A 50 10.454 31.802 22.245 1.00 0.00 H ATOM 763 HB3 ALA A 50 10.721 31.007 20.674 1.00 0.00 H ATOM 764 H ALA A 50 10.847 34.259 22.244 1.00 0.00 H ATOM 765 N ILE A 51 7.898 33.153 21.312 1.00 11.48 N ATOM 766 CA ILE A 51 6.438 32.998 21.192 1.00 13.11 C ATOM 767 C ILE A 51 5.882 33.924 20.126 1.00 13.11 C ATOM 768 O ILE A 51 4.968 33.549 19.349 1.00 12.98 O ATOM 769 CB ILE A 51 5.763 33.303 22.560 1.00 14.18 C ATOM 770 CG1 ILE A 51 6.132 32.221 23.555 1.00 19.44 C ATOM 771 CG2 ILE A 51 4.221 33.436 22.434 1.00 15.31 C ATOM 772 CD1 ILE A 51 5.703 30.915 23.178 1.00 21.44 C ATOM 773 HA ILE A 51 6.223 31.970 20.901 1.00 0.00 H ATOM 774 HB ILE A 51 6.132 34.265 22.915 1.00 0.00 H ATOM 775 HG12 ILE A 51 7.217 32.208 23.661 1.00 0.00 H ATOM 776 HG13 ILE A 51 5.677 32.468 24.514 1.00 0.00 H ATOM 777 HD11 ILE A 51 4.618 30.905 23.079 1.00 0.00 H ATOM 778 HD12 ILE A 51 6.158 30.645 22.225 1.00 0.00 H ATOM 779 HD13 ILE A 51 6.006 30.200 23.942 1.00 0.00 H ATOM 780 HG21 ILE A 51 3.983 34.249 21.748 1.00 0.00 H ATOM 781 HG22 ILE A 51 3.807 32.503 22.051 1.00 0.00 H ATOM 782 HG23 ILE A 51 3.795 33.649 23.414 1.00 0.00 H ATOM 783 H ILE A 51 8.292 33.568 22.180 1.00 0.00 H ATOM 784 N GLU A 52 6.401 35.128 20.073 1.00 12.73 N ATOM 785 CA GLU A 52 5.900 36.115 19.119 1.00 13.48 C ATOM 786 C GLU A 52 6.277 35.807 17.671 1.00 12.77 C ATOM 787 O GLU A 52 5.580 36.284 16.758 1.00 13.27 O ATOM 788 CB GLU A 52 6.356 37.518 19.463 1.00 14.78 C ATOM 789 CG GLU A 52 5.947 37.968 20.863 1.00 18.01 C ATOM 790 CD GLU A 52 4.454 37.957 21.117 1.00 22.41 C ATOM 791 OE1 GLU A 52 3.683 38.323 20.207 1.00 24.64 O ATOM 792 OE2 GLU A 52 4.037 37.592 22.234 1.00 23.62 O ATOM 793 HA GLU A 52 4.815 36.055 19.202 1.00 0.00 H ATOM 794 HB2 GLU A 52 7.443 37.554 19.393 1.00 0.00 H ATOM 795 HB3 GLU A 52 5.924 38.208 18.739 1.00 0.00 H ATOM 796 HG2 GLU A 52 6.420 37.304 21.586 1.00 0.00 H ATOM 797 HG3 GLU A 52 6.310 38.985 21.014 1.00 0.00 H ATOM 798 H GLU A 52 7.177 35.382 20.717 1.00 0.00 H ATOM 799 N ASN A 53 7.334 35.021 17.422 1.00 11.13 N ATOM 800 CA ASN A 53 7.784 34.709 16.051 1.00 11.16 C ATOM 801 C ASN A 53 7.939 33.231 15.710 1.00 11.27 C ATOM 802 O ASN A 53 8.556 32.867 14.705 1.00 11.23 O ATOM 803 CB ASN A 53 9.037 35.469 15.681 1.00 11.01 C ATOM 804 CG ASN A 53 10.188 35.134 16.568 1.00 9.33 C ATOM 805 OD1 ASN A 53 10.341 34.011 17.011 1.00 11.42 O ATOM 806 ND2 ASN A 53 11.020 36.132 16.818 1.00 13.74 N ATOM 807 HA ASN A 53 6.950 35.049 15.438 1.00 0.00 H ATOM 808 HB2 ASN A 53 9.304 35.225 14.653 1.00 0.00 H ATOM 809 HB3 ASN A 53 8.834 36.537 15.758 1.00 0.00 H ATOM 810 HD22 ASN A 53 10.840 37.073 16.413 1.00 0.00 H ATOM 811 HD21 ASN A 53 11.854 35.976 17.420 1.00 0.00 H ATOM 812 H ASN A 53 7.857 34.616 18.225 1.00 0.00 H ATOM 813 N GLY A 54 7.340 32.364 16.504 1.00 10.86 N ATOM 814 CA GLY A 54 7.371 30.938 16.242 1.00 11.16 C ATOM 815 C GLY A 54 8.739 30.306 16.123 1.00 11.17 C ATOM 816 O GLY A 54 9.000 29.453 15.269 1.00 12.86 O ATOM 817 HA3 GLY A 54 6.841 30.761 15.306 1.00 0.00 H ATOM 818 HA2 GLY A 54 6.845 30.439 17.056 1.00 0.00 H ATOM 819 H GLY A 54 6.831 32.713 17.341 1.00 0.00 H ATOM 820 N CYS A 55 9.633 30.705 17.029 1.00 11.22 N ATOM 821 CA CYS A 55 10.999 30.155 17.067 1.00 11.35 C ATOM 822 C CYS A 55 11.836 30.500 15.821 1.00 11.42 C ATOM 823 O CYS A 55 12.783 29.793 15.480 1.00 11.52 O ATOM 824 CB CYS A 55 11.031 28.643 17.350 1.00 11.75 C ATOM 825 SG CYS A 55 11.808 28.183 18.954 1.00 14.81 S ATOM 826 HA CYS A 55 11.471 30.656 17.913 1.00 0.00 H ATOM 827 HB2 CYS A 55 11.590 28.158 16.549 1.00 0.00 H ATOM 828 HB3 CYS A 55 10.005 28.275 17.350 1.00 0.00 H ATOM 829 H CYS A 55 9.358 31.424 17.728 1.00 0.00 H ATOM 830 N LYS A 56 11.550 31.627 15.196 1.00 11.09 N ATOM 831 CA LYS A 56 12.328 32.052 14.024 1.00 12.07 C ATOM 832 C LYS A 56 13.852 32.170 14.278 1.00 12.98 C ATOM 833 O LYS A 56 14.665 32.006 13.345 1.00 14.62 O ATOM 834 CB LYS A 56 11.781 33.380 13.531 1.00 12.40 C ATOM 835 CG LYS A 56 12.474 33.915 12.299 1.00 13.70 C ATOM 836 CD LYS A 56 11.794 35.166 11.806 1.00 14.70 C ATOM 837 CE LYS A 56 11.923 36.322 12.787 1.00 14.42 C ATOM 838 NZ LYS A 56 11.318 37.584 12.196 1.00 17.67 N ATOM 839 HA LYS A 56 12.217 31.271 13.272 1.00 0.00 H ATOM 840 HB2 LYS A 56 10.724 33.250 13.300 1.00 0.00 H ATOM 841 HB3 LYS A 56 11.890 34.113 14.330 1.00 0.00 H ATOM 842 HG2 LYS A 56 13.512 34.144 12.543 1.00 0.00 H ATOM 843 HG3 LYS A 56 12.445 33.159 11.515 1.00 0.00 H ATOM 844 HD2 LYS A 56 12.245 35.459 10.858 1.00 0.00 H ATOM 845 HD3 LYS A 56 10.736 34.953 11.653 1.00 0.00 H ATOM 846 HE2 LYS A 56 12.977 36.495 13.003 1.00 0.00 H ATOM 847 HE3 LYS A 56 11.401 36.071 13.710 1.00 0.00 H ATOM 848 HZ1 LYS A 56 11.817 37.827 11.316 1.00 0.00 H ATOM 849 HZ2 LYS A 56 10.311 37.422 11.992 1.00 0.00 H ATOM 850 HZ3 LYS A 56 11.413 38.364 12.877 1.00 0.00 H ATOM 851 H LYS A 56 10.766 32.220 15.536 1.00 0.00 H ATOM 852 N LYS A 57 14.253 32.490 15.499 1.00 12.14 N ATOM 853 CA LYS A 57 15.665 32.654 15.834 1.00 12.18 C ATOM 854 C LYS A 57 16.242 31.475 16.601 1.00 11.58 C ATOM 855 O LYS A 57 17.382 31.510 17.053 1.00 12.06 O ATOM 856 CB LYS A 57 15.833 33.943 16.643 1.00 12.80 C ATOM 857 CG LYS A 57 15.280 35.147 15.944 1.00 15.61 C ATOM 858 CD LYS A 57 14.965 36.256 16.938 1.00 18.00 C ATOM 859 CE LYS A 57 14.213 37.413 16.302 1.00 17.79 C ATOM 860 NZ LYS A 57 13.822 38.452 17.298 1.00 18.94 N ATOM 861 HA LYS A 57 16.221 32.707 14.898 1.00 0.00 H ATOM 862 HB2 LYS A 57 15.316 33.826 17.596 1.00 0.00 H ATOM 863 HB3 LYS A 57 16.896 34.104 16.825 1.00 0.00 H ATOM 864 HG2 LYS A 57 16.014 35.510 15.224 1.00 0.00 H ATOM 865 HG3 LYS A 57 14.366 34.867 15.420 1.00 0.00 H ATOM 866 HD2 LYS A 57 14.356 35.843 17.742 1.00 0.00 H ATOM 867 HD3 LYS A 57 15.901 36.632 17.350 1.00 0.00 H ATOM 868 HE2 LYS A 57 13.312 37.026 15.827 1.00 0.00 H ATOM 869 HE3 LYS A 57 14.851 37.873 15.548 1.00 0.00 H ATOM 870 HZ1 LYS A 57 13.206 38.025 18.019 1.00 0.00 H ATOM 871 HZ2 LYS A 57 14.676 38.834 17.752 1.00 0.00 H ATOM 872 HZ3 LYS A 57 13.312 39.219 16.815 1.00 0.00 H ATOM 873 H LYS A 57 13.540 32.629 16.243 1.00 0.00 H ATOM 874 N CYS A 58 15.442 30.436 16.791 1.00 10.76 N ATOM 875 CA CYS A 58 15.884 29.245 17.479 1.00 11.05 C ATOM 876 C CYS A 58 16.783 28.368 16.629 1.00 10.96 C ATOM 877 O CYS A 58 16.591 28.238 15.403 1.00 11.02 O ATOM 878 CB CYS A 58 14.691 28.404 17.908 1.00 11.41 C ATOM 879 SG CYS A 58 13.548 29.225 19.049 1.00 13.03 S ATOM 880 HA CYS A 58 16.452 29.595 18.341 1.00 0.00 H ATOM 881 HB2 CYS A 58 15.068 27.505 18.395 1.00 0.00 H ATOM 882 HB3 CYS A 58 14.134 28.125 17.013 1.00 0.00 H ATOM 883 H CYS A 58 14.466 30.479 16.434 1.00 0.00 H ATOM 884 N THR A 59 17.737 27.720 17.273 1.00 11.49 N ATOM 885 CA THR A 59 18.538 26.701 16.607 1.00 12.13 C ATOM 886 C THR A 59 17.683 25.451 16.443 1.00 13.03 C ATOM 887 O THR A 59 16.631 25.331 17.059 1.00 12.02 O ATOM 888 CB THR A 59 19.772 26.334 17.454 1.00 12.11 C ATOM 889 OG1 THR A 59 19.342 25.749 18.692 1.00 12.80 O ATOM 890 CG2 THR A 59 20.628 27.558 17.803 1.00 12.99 C ATOM 891 HA THR A 59 18.871 27.086 15.643 1.00 0.00 H ATOM 892 HB THR A 59 20.369 25.642 16.859 1.00 0.00 H ATOM 893 HG1 THR A 59 20.134 25.513 19.237 1.00 0.00 H ATOM 894 HG23 THR A 59 20.975 28.031 16.884 1.00 0.00 H ATOM 895 HG21 THR A 59 20.030 28.267 18.375 1.00 0.00 H ATOM 896 HG22 THR A 59 21.486 27.242 18.397 1.00 0.00 H ATOM 897 H THR A 59 17.920 27.941 18.273 1.00 0.00 H ATOM 898 N GLU A 60 18.119 24.518 15.600 1.00 13.85 N ATOM 899 CA GLU A 60 17.384 23.283 15.420 1.00 14.78 C ATOM 900 C GLU A 60 17.302 22.540 16.754 1.00 14.73 C ATOM 901 O GLU A 60 16.245 22.002 17.103 1.00 15.49 O ATOM 902 CB GLU A 60 18.023 22.432 14.322 1.00 15.69 C ATOM 903 CG GLU A 60 17.761 22.981 12.929 1.00 18.74 C ATOM 904 CD GLU A 60 18.421 22.189 11.811 1.00 21.46 C ATOM 905 OE1 GLU A 60 19.346 21.403 12.072 1.00 25.80 O ATOM 906 OE2 GLU A 60 18.028 22.373 10.656 1.00 19.41 O ATOM 907 HA GLU A 60 16.367 23.504 15.095 1.00 0.00 H ATOM 908 HB2 GLU A 60 19.100 22.399 14.488 1.00 0.00 H ATOM 909 HB3 GLU A 60 17.617 21.422 14.382 1.00 0.00 H ATOM 910 HG2 GLU A 60 16.684 22.981 12.758 1.00 0.00 H ATOM 911 HG3 GLU A 60 18.134 24.004 12.889 1.00 0.00 H ATOM 912 H GLU A 60 18.996 24.677 15.065 1.00 0.00 H ATOM 913 N ASN A 61 18.390 22.525 17.517 1.00 13.85 N ATOM 914 CA ASN A 61 18.371 21.853 18.824 1.00 14.14 C ATOM 915 C ASN A 61 17.365 22.485 19.781 1.00 13.31 C ATOM 916 O ASN A 61 16.726 21.779 20.553 1.00 13.18 O ATOM 917 CB ASN A 61 19.771 21.788 19.442 1.00 14.90 C ATOM 918 CG ASN A 61 20.644 20.750 18.768 1.00 18.39 C ATOM 919 OD1 ASN A 61 20.154 19.700 18.365 1.00 23.16 O ATOM 920 ND2 ASN A 61 21.933 21.030 18.646 1.00 24.74 N ATOM 921 HA ASN A 61 18.041 20.829 18.649 1.00 0.00 H ATOM 922 HB2 ASN A 61 20.245 22.764 19.343 1.00 0.00 H ATOM 923 HB3 ASN A 61 19.678 21.537 20.499 1.00 0.00 H ATOM 924 HD22 ASN A 61 22.305 21.933 19.003 1.00 0.00 H ATOM 925 HD21 ASN A 61 22.573 20.346 18.194 1.00 0.00 H ATOM 926 H ASN A 61 19.259 22.991 17.188 1.00 0.00 H ATOM 927 N GLN A 62 17.247 23.809 19.747 1.00 11.74 N ATOM 928 CA GLN A 62 16.277 24.510 20.607 1.00 11.43 C ATOM 929 C GLN A 62 14.855 24.157 20.205 1.00 12.11 C ATOM 930 O GLN A 62 14.006 23.991 21.076 1.00 12.51 O ATOM 931 CB GLN A 62 16.502 26.017 20.576 1.00 11.11 C ATOM 932 CG GLN A 62 17.755 26.448 21.354 1.00 12.01 C ATOM 933 CD GLN A 62 18.354 27.750 20.912 1.00 10.78 C ATOM 934 OE1 GLN A 62 17.787 28.483 20.085 1.00 11.71 O ATOM 935 NE2 GLN A 62 19.547 28.050 21.440 1.00 11.77 N ATOM 936 HA GLN A 62 16.431 24.178 21.634 1.00 0.00 H ATOM 937 HB2 GLN A 62 16.611 26.332 19.538 1.00 0.00 H ATOM 938 HB3 GLN A 62 15.633 26.508 21.014 1.00 0.00 H ATOM 939 HG2 GLN A 62 17.486 26.538 22.407 1.00 0.00 H ATOM 940 HG3 GLN A 62 18.510 25.671 21.238 1.00 0.00 H ATOM 941 HE22 GLN A 62 19.987 27.408 22.130 1.00 0.00 H ATOM 942 HE21 GLN A 62 20.034 28.925 21.160 1.00 0.00 H ATOM 943 H GLN A 62 17.850 24.359 19.102 1.00 0.00 H ATOM 944 N GLU A 63 14.571 24.054 18.902 1.00 12.59 N ATOM 945 CA GLU A 63 13.220 23.686 18.453 1.00 13.87 C ATOM 946 C GLU A 63 12.868 22.290 18.944 1.00 12.98 C ATOM 947 O GLU A 63 11.780 22.072 19.492 1.00 13.76 O ATOM 948 CB GLU A 63 13.109 23.716 16.905 1.00 14.31 C ATOM 949 CG GLU A 63 13.236 25.090 16.270 1.00 18.23 C ATOM 950 CD GLU A 63 12.655 25.197 14.848 1.00 19.15 C ATOM 951 OE1 GLU A 63 12.470 24.166 14.120 1.00 22.94 O ATOM 952 OE2 GLU A 63 12.380 26.323 14.444 1.00 16.21 O ATOM 953 HA GLU A 63 12.526 24.416 18.869 1.00 0.00 H ATOM 954 HB2 GLU A 63 13.898 23.083 16.499 1.00 0.00 H ATOM 955 HB3 GLU A 63 12.137 23.306 16.629 1.00 0.00 H ATOM 956 HG2 GLU A 63 12.716 25.807 16.905 1.00 0.00 H ATOM 957 HG3 GLU A 63 14.294 25.347 16.225 1.00 0.00 H ATOM 958 H GLU A 63 15.315 24.236 18.198 1.00 0.00 H ATOM 959 N LYS A 64 13.790 21.353 18.754 1.00 13.35 N ATOM 960 CA LYS A 64 13.591 19.971 19.188 1.00 14.56 C ATOM 961 C LYS A 64 13.432 19.915 20.714 1.00 13.27 C ATOM 962 O LYS A 64 12.546 19.222 21.226 1.00 14.04 O ATOM 963 CB LYS A 64 14.759 19.108 18.720 1.00 14.82 C ATOM 964 CG LYS A 64 14.653 17.622 18.961 1.00 19.42 C ATOM 965 CD LYS A 64 15.879 16.894 18.399 1.00 23.12 C ATOM 966 CE LYS A 64 15.778 15.393 18.517 1.00 24.43 C ATOM 967 NZ LYS A 64 15.830 14.956 19.936 1.00 28.13 N ATOM 968 HA LYS A 64 12.678 19.578 18.741 1.00 0.00 H ATOM 969 HB2 LYS A 64 14.871 19.260 17.646 1.00 0.00 H ATOM 970 HB3 LYS A 64 15.655 19.461 19.231 1.00 0.00 H ATOM 971 HG2 LYS A 64 14.587 17.437 20.033 1.00 0.00 H ATOM 972 HG3 LYS A 64 13.756 17.243 18.472 1.00 0.00 H ATOM 973 HD2 LYS A 64 15.985 17.154 17.346 1.00 0.00 H ATOM 974 HD3 LYS A 64 16.762 17.227 18.945 1.00 0.00 H ATOM 975 HE2 LYS A 64 16.607 14.938 17.975 1.00 0.00 H ATOM 976 HE3 LYS A 64 14.835 15.065 18.079 1.00 0.00 H ATOM 977 HZ1 LYS A 64 16.730 15.261 20.359 1.00 0.00 H ATOM 978 HZ2 LYS A 64 15.038 15.383 20.458 1.00 0.00 H ATOM 979 HZ3 LYS A 64 15.758 13.919 19.981 1.00 0.00 H ATOM 980 H LYS A 64 14.680 21.610 18.282 1.00 0.00 H ATOM 981 N GLY A 65 14.291 20.648 21.433 1.00 12.37 N ATOM 982 CA GLY A 65 14.246 20.672 22.888 1.00 12.14 C ATOM 983 C GLY A 65 12.966 21.310 23.402 1.00 12.66 C ATOM 984 O GLY A 65 12.409 20.847 24.411 1.00 12.11 O ATOM 985 HA3 GLY A 65 15.098 21.242 23.258 1.00 0.00 H ATOM 986 HA2 GLY A 65 14.305 19.649 23.260 1.00 0.00 H ATOM 987 H GLY A 65 15.009 21.215 20.939 1.00 0.00 H ATOM 988 N ALA A 66 12.475 22.350 22.733 1.00 12.51 N ATOM 989 CA ALA A 66 11.247 22.997 23.173 1.00 13.41 C ATOM 990 C ALA A 66 10.100 22.014 23.112 1.00 14.06 C ATOM 991 O ALA A 66 9.332 21.892 24.082 1.00 13.15 O ATOM 992 CB ALA A 66 10.935 24.215 22.333 1.00 13.98 C ATOM 993 HA ALA A 66 11.386 23.328 24.202 1.00 0.00 H ATOM 994 HB1 ALA A 66 11.753 24.931 22.415 1.00 0.00 H ATOM 995 HB2 ALA A 66 10.816 23.916 21.292 1.00 0.00 H ATOM 996 HB3 ALA A 66 10.012 24.673 22.689 1.00 0.00 H ATOM 997 H ALA A 66 12.972 22.703 21.890 1.00 0.00 H ATOM 998 N TYR A 67 10.010 21.264 22.013 1.00 13.99 N ATOM 999 CA TYR A 67 8.928 20.293 21.910 1.00 14.50 C ATOM 1000 C TYR A 67 9.052 19.181 22.938 1.00 13.43 C ATOM 1001 O TYR A 67 8.051 18.744 23.493 1.00 13.90 O ATOM 1002 CB TYR A 67 8.758 19.682 20.522 1.00 15.87 C ATOM 1003 CG TYR A 67 7.546 18.791 20.554 1.00 17.41 C ATOM 1004 CD1 TYR A 67 6.287 19.315 20.883 1.00 20.91 C ATOM 1005 CD2 TYR A 67 7.668 17.425 20.415 1.00 19.40 C ATOM 1006 CE1 TYR A 67 5.188 18.504 20.988 1.00 20.71 C ATOM 1007 CE2 TYR A 67 6.567 16.607 20.512 1.00 18.11 C ATOM 1008 CZ TYR A 67 5.325 17.148 20.779 1.00 19.08 C ATOM 1009 OH TYR A 67 4.239 16.296 20.882 1.00 23.32 O ATOM 1010 HA TYR A 67 8.032 20.879 22.114 1.00 0.00 H ATOM 1011 HB3 TYR A 67 9.641 19.097 20.264 1.00 0.00 H ATOM 1012 HB2 TYR A 67 8.618 20.472 19.784 1.00 0.00 H ATOM 1013 HD2 TYR A 67 8.649 16.988 20.226 1.00 0.00 H ATOM 1014 HE2 TYR A 67 6.675 15.531 20.378 1.00 0.00 H ATOM 1015 HE1 TYR A 67 4.214 18.927 21.235 1.00 0.00 H ATOM 1016 HD1 TYR A 67 6.181 20.386 21.058 1.00 0.00 H ATOM 1017 HH TYR A 67 3.424 16.824 21.074 1.00 0.00 H ATOM 1018 H TYR A 67 10.700 21.370 21.242 1.00 0.00 H ATOM 1019 N ARG A 68 10.264 18.696 23.196 1.00 12.79 N ATOM 1020 CA ARG A 68 10.460 17.694 24.217 1.00 12.40 C ATOM 1021 C ARG A 68 9.969 18.164 25.599 1.00 12.43 C ATOM 1022 O ARG A 68 9.240 17.459 26.306 1.00 12.61 O ATOM 1023 CB ARG A 68 11.943 17.327 24.248 1.00 13.09 C ATOM 1024 CG ARG A 68 12.352 16.433 25.376 1.00 12.88 C ATOM 1025 CD ARG A 68 12.037 14.983 25.179 1.00 16.00 C ATOM 1026 NE ARG A 68 12.619 14.246 26.288 1.00 18.65 N ATOM 1027 CZ ARG A 68 11.954 13.867 27.373 1.00 18.47 C ATOM 1028 NH1 ARG A 68 10.649 14.063 27.511 1.00 19.13 N ATOM 1029 NH2 ARG A 68 12.601 13.241 28.329 1.00 20.41 N ATOM 1030 HA ARG A 68 9.863 16.815 23.973 1.00 0.00 H ATOM 1031 HB2 ARG A 68 12.186 16.823 23.312 1.00 0.00 H ATOM 1032 HB3 ARG A 68 12.518 18.250 24.323 1.00 0.00 H ATOM 1033 HG2 ARG A 68 13.429 16.530 25.512 1.00 0.00 H ATOM 1034 HG3 ARG A 68 11.842 16.771 26.278 1.00 0.00 H ATOM 1035 HD2 ARG A 68 12.464 14.635 24.238 1.00 0.00 H ATOM 1036 HD3 ARG A 68 10.957 14.837 25.163 1.00 0.00 H ATOM 1037 HE ARG A 68 13.627 13.998 26.228 1.00 0.00 H ATOM 1038 HH12 ARG A 68 10.165 13.751 28.377 1.00 0.00 H ATOM 1039 HH11 ARG A 68 10.110 14.529 26.753 1.00 0.00 H ATOM 1040 HH22 ARG A 68 12.096 12.937 29.186 1.00 0.00 H ATOM 1041 HH21 ARG A 68 13.618 13.049 28.229 1.00 0.00 H ATOM 1042 H ARG A 68 11.081 19.043 22.655 1.00 0.00 H ATOM 1043 N VAL A 69 10.356 19.376 25.978 1.00 11.07 N ATOM 1044 CA VAL A 69 9.965 19.933 27.270 1.00 11.52 C ATOM 1045 C VAL A 69 8.459 20.166 27.328 1.00 10.98 C ATOM 1046 O VAL A 69 7.793 19.779 28.292 1.00 11.25 O ATOM 1047 CB VAL A 69 10.720 21.248 27.570 1.00 11.63 C ATOM 1048 CG1 VAL A 69 10.102 21.942 28.773 1.00 12.17 C ATOM 1049 CG2 VAL A 69 12.203 20.986 27.799 1.00 12.22 C ATOM 1050 HA VAL A 69 10.236 19.205 28.034 1.00 0.00 H ATOM 1051 HB VAL A 69 10.629 21.904 26.704 1.00 0.00 H ATOM 1052 HG11 VAL A 69 9.057 22.169 28.563 1.00 0.00 H ATOM 1053 HG12 VAL A 69 10.165 21.286 29.641 1.00 0.00 H ATOM 1054 HG13 VAL A 69 10.642 22.867 28.974 1.00 0.00 H ATOM 1055 HG21 VAL A 69 12.325 20.311 28.646 1.00 0.00 H ATOM 1056 HG22 VAL A 69 12.632 20.532 26.906 1.00 0.00 H ATOM 1057 HG23 VAL A 69 12.709 21.928 28.008 1.00 0.00 H ATOM 1058 H VAL A 69 10.951 19.942 25.340 1.00 0.00 H ATOM 1059 N ILE A 70 7.916 20.755 26.272 1.00 11.36 N ATOM 1060 CA ILE A 70 6.493 21.075 26.251 1.00 11.69 C ATOM 1061 C ILE A 70 5.627 19.814 26.322 1.00 11.77 C ATOM 1062 O ILE A 70 4.664 19.755 27.091 1.00 12.40 O ATOM 1063 CB ILE A 70 6.157 21.953 25.024 1.00 11.82 C ATOM 1064 CG1 ILE A 70 6.723 23.351 25.229 1.00 13.22 C ATOM 1065 CG2 ILE A 70 4.651 22.012 24.781 1.00 12.98 C ATOM 1066 CD1 ILE A 70 6.708 24.207 23.980 1.00 14.75 C ATOM 1067 HA ILE A 70 6.258 21.654 27.144 1.00 0.00 H ATOM 1068 HB ILE A 70 6.613 21.506 24.141 1.00 0.00 H ATOM 1069 HG12 ILE A 70 6.132 23.852 25.996 1.00 0.00 H ATOM 1070 HG13 ILE A 70 7.754 23.258 25.569 1.00 0.00 H ATOM 1071 HD11 ILE A 70 7.305 23.727 23.205 1.00 0.00 H ATOM 1072 HD12 ILE A 70 5.681 24.321 23.632 1.00 0.00 H ATOM 1073 HD13 ILE A 70 7.127 25.187 24.208 1.00 0.00 H ATOM 1074 HG21 ILE A 70 4.273 21.005 24.602 1.00 0.00 H ATOM 1075 HG22 ILE A 70 4.159 22.436 25.657 1.00 0.00 H ATOM 1076 HG23 ILE A 70 4.449 22.637 23.911 1.00 0.00 H ATOM 1077 H ILE A 70 8.510 20.991 25.451 1.00 0.00 H ATOM 1078 N GLU A 71 5.988 18.775 25.563 1.00 11.57 N ATOM 1079 CA GLU A 71 5.222 17.525 25.596 1.00 12.87 C ATOM 1080 C GLU A 71 5.265 16.921 27.003 1.00 12.44 C ATOM 1081 O GLU A 71 4.243 16.432 27.521 1.00 13.09 O ATOM 1082 CB GLU A 71 5.760 16.510 24.574 1.00 14.14 C ATOM 1083 CG GLU A 71 4.890 15.255 24.532 1.00 17.05 C ATOM 1084 CD GLU A 71 5.485 14.095 23.763 1.00 22.67 C ATOM 1085 OE1 GLU A 71 6.706 14.092 23.537 1.00 28.27 O ATOM 1086 OE2 GLU A 71 4.712 13.162 23.437 1.00 27.09 O ATOM 1087 HA GLU A 71 4.190 17.756 25.331 1.00 0.00 H ATOM 1088 HB2 GLU A 71 5.769 16.970 23.586 1.00 0.00 H ATOM 1089 HB3 GLU A 71 6.776 16.230 24.852 1.00 0.00 H ATOM 1090 HG2 GLU A 71 4.716 14.929 25.557 1.00 0.00 H ATOM 1091 HG3 GLU A 71 3.939 15.517 24.069 1.00 0.00 H ATOM 1092 H GLU A 71 6.820 18.854 24.943 1.00 0.00 H ATOM 1093 N HIS A 72 6.434 16.929 27.644 1.00 11.24 N ATOM 1094 CA HIS A 72 6.553 16.407 28.998 1.00 12.19 C ATOM 1095 C HIS A 72 5.648 17.162 29.970 1.00 11.83 C ATOM 1096 O HIS A 72 4.978 16.564 30.808 1.00 12.53 O ATOM 1097 CB HIS A 72 8.003 16.503 29.502 1.00 12.18 C ATOM 1098 CG HIS A 72 8.164 16.012 30.906 1.00 12.66 C ATOM 1099 ND1 HIS A 72 8.144 16.823 32.022 1.00 16.10 N ATOM 1100 CD2 HIS A 72 8.287 14.746 31.368 1.00 14.07 C ATOM 1101 CE1 HIS A 72 8.257 16.074 33.109 1.00 12.51 C ATOM 1102 NE2 HIS A 72 8.366 14.813 32.736 1.00 16.25 N ATOM 1103 HA HIS A 72 6.246 15.362 28.959 1.00 0.00 H ATOM 1104 HB2 HIS A 72 8.639 15.905 28.849 1.00 0.00 H ATOM 1105 HB3 HIS A 72 8.318 17.546 29.459 1.00 0.00 H ATOM 1106 HD2 HIS A 72 8.318 13.839 30.764 1.00 0.00 H ATOM 1107 HE1 HIS A 72 8.259 16.438 34.137 1.00 0.00 H ATOM 1108 H HIS A 72 7.275 17.315 27.169 1.00 0.00 H ATOM 1109 N LEU A 73 5.642 18.492 29.886 1.00 11.77 N ATOM 1110 CA LEU A 73 4.800 19.281 30.790 1.00 11.66 C ATOM 1111 C LEU A 73 3.324 19.032 30.569 1.00 11.57 C ATOM 1112 O LEU A 73 2.571 18.858 31.526 1.00 11.39 O ATOM 1113 CB LEU A 73 5.103 20.772 30.645 1.00 11.65 C ATOM 1114 CG LEU A 73 6.535 21.216 30.968 1.00 12.25 C ATOM 1115 CD1 LEU A 73 6.686 22.704 30.637 1.00 13.31 C ATOM 1116 CD2 LEU A 73 6.902 20.910 32.428 1.00 14.29 C ATOM 1117 HA LEU A 73 5.040 18.959 31.803 1.00 0.00 H ATOM 1118 HB2 LEU A 73 4.894 21.053 29.613 1.00 0.00 H ATOM 1119 HB3 LEU A 73 4.431 21.313 31.311 1.00 0.00 H ATOM 1120 HG LEU A 73 7.235 20.650 30.353 1.00 0.00 H ATOM 1121 HD21 LEU A 73 6.218 21.439 33.092 1.00 0.00 H ATOM 1122 HD22 LEU A 73 6.824 19.837 32.604 1.00 0.00 H ATOM 1123 HD23 LEU A 73 7.923 21.238 32.621 1.00 0.00 H ATOM 1124 HD11 LEU A 73 6.483 22.862 29.578 1.00 0.00 H ATOM 1125 HD12 LEU A 73 5.979 23.281 31.234 1.00 0.00 H ATOM 1126 HD13 LEU A 73 7.703 23.024 30.865 1.00 0.00 H ATOM 1127 H LEU A 73 6.235 18.971 29.178 1.00 0.00 H ATOM 1128 N ILE A 74 2.889 19.016 29.309 1.00 11.40 N ATOM 1129 CA ILE A 74 1.486 18.791 28.994 1.00 12.55 C ATOM 1130 C ILE A 74 1.005 17.437 29.494 1.00 13.01 C ATOM 1131 O ILE A 74 -0.126 17.320 29.990 1.00 13.92 O ATOM 1132 CB ILE A 74 1.259 18.924 27.471 1.00 12.42 C ATOM 1133 CG1 ILE A 74 1.448 20.371 27.015 1.00 11.96 C ATOM 1134 CG2 ILE A 74 -0.127 18.386 27.097 1.00 12.42 C ATOM 1135 CD1 ILE A 74 1.432 20.552 25.517 1.00 12.52 C ATOM 1136 HA ILE A 74 0.899 19.551 29.510 1.00 0.00 H ATOM 1137 HB ILE A 74 2.005 18.324 26.949 1.00 0.00 H ATOM 1138 HG12 ILE A 74 0.645 20.972 27.441 1.00 0.00 H ATOM 1139 HG13 ILE A 74 2.406 20.727 27.393 1.00 0.00 H ATOM 1140 HD11 ILE A 74 2.238 19.967 25.073 1.00 0.00 H ATOM 1141 HD12 ILE A 74 0.475 20.213 25.122 1.00 0.00 H ATOM 1142 HD13 ILE A 74 1.572 21.606 25.278 1.00 0.00 H ATOM 1143 HG21 ILE A 74 -0.196 17.336 27.380 1.00 0.00 H ATOM 1144 HG22 ILE A 74 -0.891 18.956 27.625 1.00 0.00 H ATOM 1145 HG23 ILE A 74 -0.276 18.485 26.022 1.00 0.00 H ATOM 1146 H ILE A 74 3.567 19.168 28.535 1.00 0.00 H ATOM 1147 N LYS A 75 1.854 16.418 29.393 1.00 12.32 N ATOM 1148 CA LYS A 75 1.473 15.078 29.846 1.00 13.60 C ATOM 1149 C LYS A 75 1.623 14.857 31.357 1.00 13.50 C ATOM 1150 O LYS A 75 0.747 14.264 31.989 1.00 15.00 O ATOM 1151 CB LYS A 75 2.305 14.025 29.136 1.00 13.97 C ATOM 1152 CG LYS A 75 2.053 13.932 27.669 1.00 15.14 C ATOM 1153 CD LYS A 75 2.830 12.765 27.101 1.00 19.29 C ATOM 1154 CE LYS A 75 2.544 12.530 25.668 1.00 22.35 C ATOM 1155 NZ LYS A 75 1.073 12.446 25.444 1.00 26.71 N ATOM 1156 HA LYS A 75 0.414 14.988 29.603 1.00 0.00 H ATOM 1157 HB2 LYS A 75 3.358 14.262 29.288 1.00 0.00 H ATOM 1158 HB3 LYS A 75 2.084 13.056 29.583 1.00 0.00 H ATOM 1159 HG2 LYS A 75 0.988 13.782 27.491 1.00 0.00 H ATOM 1160 HG3 LYS A 75 2.375 14.854 27.185 1.00 0.00 H ATOM 1161 HD2 LYS A 75 3.895 12.966 27.216 1.00 0.00 H ATOM 1162 HD3 LYS A 75 2.569 11.867 27.661 1.00 0.00 H ATOM 1163 HE2 LYS A 75 3.010 11.595 25.356 1.00 0.00 H ATOM 1164 HE3 LYS A 75 2.952 13.352 25.080 1.00 0.00 H ATOM 1165 HZ1 LYS A 75 0.683 11.661 26.003 1.00 0.00 H ATOM 1166 HZ2 LYS A 75 0.627 13.338 25.739 1.00 0.00 H ATOM 1167 HZ3 LYS A 75 0.886 12.281 24.434 1.00 0.00 H ATOM 1168 H LYS A 75 2.799 16.574 28.988 1.00 0.00 H ATOM 1169 N ASN A 76 2.718 15.337 31.944 1.00 14.02 N ATOM 1170 CA ASN A 76 3.081 15.013 33.324 1.00 14.65 C ATOM 1171 C ASN A 76 3.087 16.131 34.363 1.00 14.81 C ATOM 1172 O ASN A 76 3.193 15.879 35.555 1.00 15.12 O ATOM 1173 CB ASN A 76 4.460 14.354 33.306 1.00 15.23 C ATOM 1174 CG ASN A 76 4.522 13.167 32.347 1.00 16.58 C ATOM 1175 OD1 ASN A 76 3.770 12.209 32.513 1.00 20.70 O ATOM 1176 ND2 ASN A 76 5.405 13.224 31.347 1.00 20.02 N ATOM 1177 HA ASN A 76 2.270 14.368 33.662 1.00 0.00 H ATOM 1178 HB2 ASN A 76 5.198 15.094 32.997 1.00 0.00 H ATOM 1179 HB3 ASN A 76 4.696 14.005 34.312 1.00 0.00 H ATOM 1180 HD22 ASN A 76 6.022 14.055 31.245 1.00 0.00 H ATOM 1181 HD21 ASN A 76 5.476 12.437 30.670 1.00 0.00 H ATOM 1182 H ASN A 76 3.340 15.968 31.399 1.00 0.00 H ATOM 1183 N GLU A 77 3.008 17.381 33.922 1.00 13.76 N ATOM 1184 CA GLU A 77 3.041 18.523 34.836 1.00 13.77 C ATOM 1185 C GLU A 77 2.058 19.565 34.356 1.00 13.71 C ATOM 1186 O GLU A 77 2.414 20.701 34.043 1.00 13.44 O ATOM 1187 CB GLU A 77 4.447 19.132 34.943 1.00 13.93 C ATOM 1188 CG GLU A 77 5.520 18.192 35.494 1.00 15.62 C ATOM 1189 CD GLU A 77 5.365 17.880 36.969 1.00 17.57 C ATOM 1190 OE1 GLU A 77 4.461 18.432 37.639 1.00 19.94 O ATOM 1191 OE2 GLU A 77 6.168 17.052 37.477 1.00 20.31 O ATOM 1192 HA GLU A 77 2.765 18.174 35.831 1.00 0.00 H ATOM 1193 HB2 GLU A 77 4.755 19.449 33.947 1.00 0.00 H ATOM 1194 HB3 GLU A 77 4.390 20.001 35.598 1.00 0.00 H ATOM 1195 HG2 GLU A 77 5.474 17.255 34.938 1.00 0.00 H ATOM 1196 HG3 GLU A 77 6.494 18.656 35.342 1.00 0.00 H ATOM 1197 H GLU A 77 2.920 17.553 32.900 1.00 0.00 H ATOM 1198 N ILE A 78 0.795 19.167 34.324 1.00 13.88 N ATOM 1199 CA ILE A 78 -0.260 20.017 33.778 1.00 13.85 C ATOM 1200 C ILE A 78 -0.332 21.412 34.404 1.00 13.70 C ATOM 1201 O ILE A 78 -0.483 22.391 33.698 1.00 13.13 O ATOM 1202 CB ILE A 78 -1.601 19.303 33.919 1.00 14.99 C ATOM 1203 CG1 ILE A 78 -1.577 17.988 33.129 1.00 17.02 C ATOM 1204 CG2 ILE A 78 -2.742 20.216 33.467 1.00 16.70 C ATOM 1205 CD1 ILE A 78 -2.791 17.120 33.367 1.00 18.75 C ATOM 1206 HA ILE A 78 -0.016 20.183 32.729 1.00 0.00 H ATOM 1207 HB ILE A 78 -1.774 19.062 34.968 1.00 0.00 H ATOM 1208 HG12 ILE A 78 -1.524 18.224 32.066 1.00 0.00 H ATOM 1209 HG13 ILE A 78 -0.689 17.427 33.419 1.00 0.00 H ATOM 1210 HD11 ILE A 78 -2.852 16.865 34.425 1.00 0.00 H ATOM 1211 HD12 ILE A 78 -3.688 17.663 33.071 1.00 0.00 H ATOM 1212 HD13 ILE A 78 -2.705 16.208 32.776 1.00 0.00 H ATOM 1213 HG21 ILE A 78 -2.752 21.115 34.083 1.00 0.00 H ATOM 1214 HG22 ILE A 78 -2.594 20.491 32.423 1.00 0.00 H ATOM 1215 HG23 ILE A 78 -3.691 19.690 33.575 1.00 0.00 H ATOM 1216 H ILE A 78 0.549 18.228 34.696 1.00 0.00 H ATOM 1217 N GLU A 79 -0.207 21.506 35.721 1.00 12.96 N ATOM 1218 CA GLU A 79 -0.256 22.790 36.398 1.00 13.67 C ATOM 1219 C GLU A 79 0.884 23.717 35.948 1.00 12.73 C ATOM 1220 O GLU A 79 0.686 24.918 35.799 1.00 14.22 O ATOM 1221 CB GLU A 79 -0.193 22.575 37.914 1.00 14.31 C ATOM 1222 CG GLU A 79 -1.310 21.732 38.497 1.00 18.04 C ATOM 1223 CD GLU A 79 -1.122 20.233 38.310 1.00 20.89 C ATOM 1224 OE1 GLU A 79 0.023 19.736 38.099 1.00 20.32 O ATOM 1225 OE2 GLU A 79 -2.150 19.525 38.381 1.00 24.05 O ATOM 1226 HA GLU A 79 -1.196 23.275 36.133 1.00 0.00 H ATOM 1227 HB2 GLU A 79 0.754 22.087 38.146 1.00 0.00 H ATOM 1228 HB3 GLU A 79 -0.223 23.553 38.394 1.00 0.00 H ATOM 1229 HG2 GLU A 79 -1.373 21.938 39.565 1.00 0.00 H ATOM 1230 HG3 GLU A 79 -2.244 22.022 38.017 1.00 0.00 H ATOM 1231 H GLU A 79 -0.071 20.641 36.282 1.00 0.00 H ATOM 1232 N ILE A 80 2.076 23.153 35.755 1.00 12.63 N ATOM 1233 CA ILE A 80 3.226 23.946 35.286 1.00 12.59 C ATOM 1234 C ILE A 80 2.964 24.415 33.842 1.00 11.91 C ATOM 1235 O ILE A 80 3.133 25.580 33.525 1.00 11.82 O ATOM 1236 CB ILE A 80 4.528 23.146 35.403 1.00 12.32 C ATOM 1237 CG1 ILE A 80 4.912 22.949 36.881 1.00 14.26 C ATOM 1238 CG2 ILE A 80 5.641 23.830 34.607 1.00 12.60 C ATOM 1239 CD1 ILE A 80 6.107 22.055 37.080 1.00 14.89 C ATOM 1240 HA ILE A 80 3.344 24.826 35.918 1.00 0.00 H ATOM 1241 HB ILE A 80 4.378 22.155 34.975 1.00 0.00 H ATOM 1242 HG12 ILE A 80 5.136 23.925 37.312 1.00 0.00 H ATOM 1243 HG13 ILE A 80 4.062 22.509 37.402 1.00 0.00 H ATOM 1244 HD11 ILE A 80 5.895 21.070 36.664 1.00 0.00 H ATOM 1245 HD12 ILE A 80 6.970 22.487 36.574 1.00 0.00 H ATOM 1246 HD13 ILE A 80 6.317 21.963 38.146 1.00 0.00 H ATOM 1247 HG21 ILE A 80 5.351 23.890 33.558 1.00 0.00 H ATOM 1248 HG22 ILE A 80 5.802 24.834 34.999 1.00 0.00 H ATOM 1249 HG23 ILE A 80 6.560 23.251 34.699 1.00 0.00 H ATOM 1250 H ILE A 80 2.197 22.136 35.938 1.00 0.00 H ATOM 1251 N TRP A 81 2.529 23.504 32.980 1.00 11.62 N ATOM 1252 CA TRP A 81 2.174 23.892 31.609 1.00 10.49 C ATOM 1253 C TRP A 81 1.164 25.031 31.606 1.00 11.67 C ATOM 1254 O TRP A 81 1.356 26.038 30.921 1.00 12.01 O ATOM 1255 CB TRP A 81 1.598 22.705 30.834 1.00 10.38 C ATOM 1256 CG TRP A 81 0.925 23.061 29.528 1.00 11.53 C ATOM 1257 CD1 TRP A 81 -0.386 22.880 29.235 1.00 10.46 C ATOM 1258 CD2 TRP A 81 1.502 23.689 28.358 1.00 10.70 C ATOM 1259 NE1 TRP A 81 -0.663 23.307 27.955 1.00 10.94 N ATOM 1260 CE2 TRP A 81 0.481 23.805 27.392 1.00 10.12 C ATOM 1261 CE3 TRP A 81 2.786 24.111 28.003 1.00 11.67 C ATOM 1262 CZ2 TRP A 81 0.708 24.348 26.127 1.00 11.03 C ATOM 1263 CZ3 TRP A 81 2.982 24.671 26.768 1.00 10.51 C ATOM 1264 CH2 TRP A 81 1.969 24.774 25.843 1.00 11.89 C ATOM 1265 HA TRP A 81 3.090 24.227 31.121 1.00 0.00 H ATOM 1266 HB2 TRP A 81 2.413 22.014 30.618 1.00 0.00 H ATOM 1267 HB3 TRP A 81 0.863 22.210 31.469 1.00 0.00 H ATOM 1268 HE1 TRP A 81 -1.592 23.259 27.491 1.00 0.00 H ATOM 1269 HD1 TRP A 81 -1.121 22.455 29.919 1.00 0.00 H ATOM 1270 HZ2 TRP A 81 -0.094 24.428 25.394 1.00 0.00 H ATOM 1271 HH2 TRP A 81 2.180 25.205 24.864 1.00 0.00 H ATOM 1272 HZ3 TRP A 81 3.972 25.047 26.510 1.00 0.00 H ATOM 1273 HE3 TRP A 81 3.618 23.996 28.697 1.00 0.00 H ATOM 1274 H TRP A 81 2.439 22.511 33.277 1.00 0.00 H ATOM 1275 N ARG A 82 0.113 24.893 32.398 1.00 11.63 N ATOM 1276 CA ARG A 82 -0.908 25.927 32.386 1.00 12.83 C ATOM 1277 C ARG A 82 -0.420 27.310 32.830 1.00 12.68 C ATOM 1278 O ARG A 82 -0.825 28.333 32.242 1.00 12.23 O ATOM 1279 CB ARG A 82 -2.132 25.467 33.139 1.00 14.42 C ATOM 1280 CG ARG A 82 -2.815 24.431 32.300 1.00 16.34 C ATOM 1281 CD ARG A 82 -4.050 23.951 32.902 1.00 17.76 C ATOM 1282 NE ARG A 82 -4.736 23.025 32.025 1.00 19.47 N ATOM 1283 CZ ARG A 82 -5.981 22.639 32.201 1.00 23.15 C ATOM 1284 NH1 ARG A 82 -6.526 21.782 31.357 1.00 24.52 N ATOM 1285 NH2 ARG A 82 -6.683 23.132 33.203 1.00 25.10 N ATOM 1286 HA ARG A 82 -1.183 26.076 31.342 1.00 0.00 H ATOM 1287 HB2 ARG A 82 -1.840 25.037 34.097 1.00 0.00 H ATOM 1288 HB3 ARG A 82 -2.803 26.309 33.310 1.00 0.00 H ATOM 1289 HG2 ARG A 82 -3.046 24.865 31.327 1.00 0.00 H ATOM 1290 HG3 ARG A 82 -2.139 23.586 32.168 1.00 0.00 H ATOM 1291 HD2 ARG A 82 -4.702 24.801 33.102 1.00 0.00 H ATOM 1292 HD3 ARG A 82 -3.816 23.446 33.839 1.00 0.00 H ATOM 1293 HE ARG A 82 -4.215 22.644 31.210 1.00 0.00 H ATOM 1294 HH12 ARG A 82 -7.510 21.474 31.492 1.00 0.00 H ATOM 1295 HH11 ARG A 82 -5.971 21.415 30.557 1.00 0.00 H ATOM 1296 HH22 ARG A 82 -7.668 22.830 33.346 1.00 0.00 H ATOM 1297 HH21 ARG A 82 -6.252 23.823 33.850 1.00 0.00 H ATOM 1298 H ARG A 82 0.020 24.062 33.016 1.00 0.00 H ATOM 1299 N GLU A 83 0.419 27.356 33.853 1.00 12.47 N ATOM 1300 CA GLU A 83 0.882 28.649 34.312 1.00 12.37 C ATOM 1301 C GLU A 83 1.843 29.257 33.320 1.00 11.98 C ATOM 1302 O GLU A 83 1.841 30.485 33.118 1.00 12.28 O ATOM 1303 CB GLU A 83 1.495 28.600 35.725 1.00 13.18 C ATOM 1304 CG GLU A 83 2.805 27.868 35.858 1.00 16.71 C ATOM 1305 CD GLU A 83 3.276 27.824 37.293 1.00 19.18 C ATOM 1306 OE1 GLU A 83 2.772 28.654 38.086 1.00 24.69 O ATOM 1307 OE2 GLU A 83 4.127 26.990 37.627 1.00 21.66 O ATOM 1308 HA GLU A 83 0.003 29.290 34.383 1.00 0.00 H ATOM 1309 HB2 GLU A 83 1.653 29.627 36.055 1.00 0.00 H ATOM 1310 HB3 GLU A 83 0.775 28.115 36.383 1.00 0.00 H ATOM 1311 HG2 GLU A 83 2.679 26.848 35.496 1.00 0.00 H ATOM 1312 HG3 GLU A 83 3.557 28.376 35.254 1.00 0.00 H ATOM 1313 H GLU A 83 0.739 26.482 34.317 1.00 0.00 H ATOM 1314 N LEU A 84 2.654 28.431 32.650 1.00 11.48 N ATOM 1315 CA LEU A 84 3.606 28.955 31.674 1.00 11.88 C ATOM 1316 C LEU A 84 2.916 29.487 30.424 1.00 11.58 C ATOM 1317 O LEU A 84 3.219 30.564 29.940 1.00 11.49 O ATOM 1318 CB LEU A 84 4.625 27.874 31.292 1.00 11.71 C ATOM 1319 CG LEU A 84 5.708 27.585 32.316 1.00 12.38 C ATOM 1320 CD1 LEU A 84 6.436 26.306 31.954 1.00 13.43 C ATOM 1321 CD2 LEU A 84 6.691 28.715 32.373 1.00 13.14 C ATOM 1322 HA LEU A 84 4.122 29.792 32.144 1.00 0.00 H ATOM 1323 HB2 LEU A 84 4.078 26.948 31.115 1.00 0.00 H ATOM 1324 HB3 LEU A 84 5.114 28.188 30.370 1.00 0.00 H ATOM 1325 HG LEU A 84 5.236 27.473 33.292 1.00 0.00 H ATOM 1326 HD21 LEU A 84 7.153 28.843 31.394 1.00 0.00 H ATOM 1327 HD22 LEU A 84 6.173 29.632 32.654 1.00 0.00 H ATOM 1328 HD23 LEU A 84 7.459 28.489 33.112 1.00 0.00 H ATOM 1329 HD11 LEU A 84 5.727 25.478 31.938 1.00 0.00 H ATOM 1330 HD12 LEU A 84 6.892 26.415 30.970 1.00 0.00 H ATOM 1331 HD13 LEU A 84 7.211 26.108 32.695 1.00 0.00 H ATOM 1332 H LEU A 84 2.606 27.407 32.825 1.00 0.00 H ATOM 1333 N THR A 85 2.000 28.703 29.867 1.00 11.29 N ATOM 1334 CA THR A 85 1.302 29.169 28.657 1.00 11.68 C ATOM 1335 C THR A 85 0.431 30.408 28.974 1.00 11.64 C ATOM 1336 O THR A 85 0.343 31.328 28.170 1.00 11.87 O ATOM 1337 CB THR A 85 0.558 28.022 27.959 1.00 11.53 C ATOM 1338 OG1 THR A 85 0.119 28.441 26.646 1.00 12.57 O ATOM 1339 CG2 THR A 85 -0.676 27.579 28.740 1.00 11.92 C ATOM 1340 HA THR A 85 2.036 29.506 27.925 1.00 0.00 H ATOM 1341 HB THR A 85 1.258 27.189 27.893 1.00 0.00 H ATOM 1342 HG1 THR A 85 -0.489 29.217 26.735 1.00 0.00 H ATOM 1343 HG23 THR A 85 -0.377 27.256 29.737 1.00 0.00 H ATOM 1344 HG21 THR A 85 -1.372 28.414 28.820 1.00 0.00 H ATOM 1345 HG22 THR A 85 -1.157 26.752 28.218 1.00 0.00 H ATOM 1346 H THR A 85 1.779 27.774 30.279 1.00 0.00 H ATOM 1347 N ALA A 86 -0.169 30.459 30.156 1.00 11.59 N ATOM 1348 CA ALA A 86 -0.950 31.630 30.533 1.00 11.59 C ATOM 1349 C ALA A 86 -0.097 32.896 30.662 1.00 12.14 C ATOM 1350 O ALA A 86 -0.546 33.984 30.285 1.00 12.40 O ATOM 1351 CB ALA A 86 -1.750 31.393 31.820 1.00 12.25 C ATOM 1352 HA ALA A 86 -1.653 31.792 29.716 1.00 0.00 H ATOM 1353 HB1 ALA A 86 -2.435 30.558 31.672 1.00 0.00 H ATOM 1354 HB2 ALA A 86 -1.064 31.162 32.635 1.00 0.00 H ATOM 1355 HB3 ALA A 86 -2.317 32.291 32.064 1.00 0.00 H ATOM 1356 H ALA A 86 -0.082 29.660 30.816 1.00 0.00 H ATOM 1357 N LYS A 87 1.109 32.771 31.211 1.00 11.58 N ATOM 1358 CA LYS A 87 1.960 33.933 31.397 1.00 12.11 C ATOM 1359 C LYS A 87 2.588 34.406 30.087 1.00 11.82 C ATOM 1360 O LYS A 87 2.573 35.600 29.762 1.00 12.37 O ATOM 1361 CB LYS A 87 3.062 33.635 32.433 1.00 11.82 C ATOM 1362 CG LYS A 87 4.098 34.770 32.573 1.00 12.38 C ATOM 1363 CD LYS A 87 5.052 34.512 33.728 1.00 13.67 C ATOM 1364 CE LYS A 87 6.237 35.474 33.710 1.00 16.28 C ATOM 1365 NZ LYS A 87 5.839 36.859 34.057 1.00 19.01 N ATOM 1366 HA LYS A 87 1.324 34.738 31.766 1.00 0.00 H ATOM 1367 HB2 LYS A 87 2.590 33.476 33.403 1.00 0.00 H ATOM 1368 HB3 LYS A 87 3.583 32.727 32.131 1.00 0.00 H ATOM 1369 HG2 LYS A 87 4.671 34.843 31.649 1.00 0.00 H ATOM 1370 HG3 LYS A 87 3.574 35.709 32.749 1.00 0.00 H ATOM 1371 HD2 LYS A 87 4.512 34.635 34.667 1.00 0.00 H ATOM 1372 HD3 LYS A 87 5.425 33.490 33.656 1.00 0.00 H ATOM 1373 HE2 LYS A 87 6.675 35.474 32.712 1.00 0.00 H ATOM 1374 HE3 LYS A 87 6.979 35.131 34.431 1.00 0.00 H ATOM 1375 HZ1 LYS A 87 5.136 37.199 33.370 1.00 0.00 H ATOM 1376 HZ2 LYS A 87 5.427 36.871 35.012 1.00 0.00 H ATOM 1377 HZ3 LYS A 87 6.676 37.476 34.032 1.00 0.00 H ATOM 1378 H LYS A 87 1.445 31.833 31.509 1.00 0.00 H ATOM 1379 N TYR A 88 3.188 33.473 29.350 1.00 11.71 N ATOM 1380 CA TYR A 88 3.939 33.826 28.134 1.00 11.88 C ATOM 1381 C TYR A 88 3.126 33.834 26.834 1.00 12.77 C ATOM 1382 O TYR A 88 3.549 34.428 25.851 1.00 12.95 O ATOM 1383 CB TYR A 88 5.153 32.888 27.999 1.00 12.16 C ATOM 1384 CG TYR A 88 6.273 33.268 28.959 1.00 11.96 C ATOM 1385 CD1 TYR A 88 7.202 34.226 28.611 1.00 11.51 C ATOM 1386 CD2 TYR A 88 6.388 32.675 30.208 1.00 11.37 C ATOM 1387 CE1 TYR A 88 8.213 34.593 29.479 1.00 11.15 C ATOM 1388 CE2 TYR A 88 7.381 33.031 31.084 1.00 10.96 C ATOM 1389 CZ TYR A 88 8.307 33.986 30.709 1.00 10.51 C ATOM 1390 OH TYR A 88 9.339 34.365 31.562 1.00 12.06 O ATOM 1391 HA TYR A 88 4.249 34.862 28.269 1.00 0.00 H ATOM 1392 HB3 TYR A 88 5.530 32.943 26.978 1.00 0.00 H ATOM 1393 HB2 TYR A 88 4.836 31.867 28.213 1.00 0.00 H ATOM 1394 HD2 TYR A 88 5.671 31.907 30.500 1.00 0.00 H ATOM 1395 HE2 TYR A 88 7.440 32.565 32.068 1.00 0.00 H ATOM 1396 HE1 TYR A 88 8.932 35.360 29.190 1.00 0.00 H ATOM 1397 HD1 TYR A 88 7.138 34.703 27.633 1.00 0.00 H ATOM 1398 HH TYR A 88 8.957 34.733 32.398 1.00 0.00 H ATOM 1399 H TYR A 88 3.125 32.476 29.639 1.00 0.00 H ATOM 1400 N ASP A 89 1.977 33.171 26.817 1.00 11.86 N ATOM 1401 CA ASP A 89 1.137 33.119 25.608 1.00 11.65 C ATOM 1402 C ASP A 89 -0.316 33.399 25.995 1.00 11.99 C ATOM 1403 O ASP A 89 -1.183 32.574 25.756 1.00 11.76 O ATOM 1404 CB ASP A 89 1.302 31.741 24.964 1.00 11.73 C ATOM 1405 CG ASP A 89 0.737 31.636 23.565 1.00 11.68 C ATOM 1406 OD1 ASP A 89 0.342 32.664 22.938 1.00 12.15 O ATOM 1407 OD2 ASP A 89 0.648 30.497 23.026 1.00 13.74 O ATOM 1408 HA ASP A 89 1.439 33.876 24.884 1.00 0.00 H ATOM 1409 HB2 ASP A 89 2.366 31.509 24.921 1.00 0.00 H ATOM 1410 HB3 ASP A 89 0.797 31.008 25.592 1.00 0.00 H ATOM 1411 H ASP A 89 1.662 32.677 27.676 1.00 0.00 H ATOM 1412 N PRO A 90 -0.585 34.576 26.569 1.00 12.90 N ATOM 1413 CA PRO A 90 -1.922 34.885 27.096 1.00 13.17 C ATOM 1414 C PRO A 90 -3.017 34.902 26.044 1.00 13.95 C ATOM 1415 O PRO A 90 -4.178 34.705 26.423 1.00 15.12 O ATOM 1416 CB PRO A 90 -1.730 36.284 27.723 1.00 14.23 C ATOM 1417 CG PRO A 90 -0.608 36.846 26.993 1.00 14.06 C ATOM 1418 CD PRO A 90 0.351 35.686 26.825 1.00 13.19 C ATOM 1419 HA PRO A 90 -2.261 34.120 27.795 1.00 0.00 H ATOM 1420 HD3 PRO A 90 1.025 35.843 25.983 1.00 0.00 H ATOM 1421 HD2 PRO A 90 0.935 35.516 27.729 1.00 0.00 H ATOM 1422 HG3 PRO A 90 -0.143 37.652 27.560 1.00 0.00 H ATOM 1423 HG2 PRO A 90 -0.929 37.225 26.023 1.00 0.00 H ATOM 1424 HB2 PRO A 90 -2.623 36.894 27.590 1.00 0.00 H ATOM 1425 HB3 PRO A 90 -1.500 36.204 28.786 1.00 0.00 H ATOM 1426 N THR A 91 -2.702 35.125 24.776 1.00 14.40 N ATOM 1427 CA THR A 91 -3.756 35.087 23.758 1.00 15.39 C ATOM 1428 C THR A 91 -3.870 33.692 23.139 1.00 15.15 C ATOM 1429 O THR A 91 -4.670 33.485 22.204 1.00 16.83 O ATOM 1430 CB THR A 91 -3.539 36.134 22.641 1.00 15.93 C ATOM 1431 OG1 THR A 91 -2.378 35.813 21.883 1.00 17.36 O ATOM 1432 CG2 THR A 91 -3.319 37.535 23.220 1.00 17.84 C ATOM 1433 HA THR A 91 -4.686 35.334 24.270 1.00 0.00 H ATOM 1434 HB THR A 91 -4.435 36.121 22.020 1.00 0.00 H ATOM 1435 HG1 THR A 91 -1.588 35.806 22.479 1.00 0.00 H ATOM 1436 HG23 THR A 91 -4.188 37.823 23.811 1.00 0.00 H ATOM 1437 HG21 THR A 91 -2.432 37.530 23.854 1.00 0.00 H ATOM 1438 HG22 THR A 91 -3.180 38.246 22.405 1.00 0.00 H ATOM 1439 H THR A 91 -1.718 35.325 24.506 1.00 0.00 H ATOM 1440 N GLY A 92 -3.051 32.745 23.594 1.00 13.69 N ATOM 1441 CA GLY A 92 -3.124 31.381 23.110 1.00 14.29 C ATOM 1442 C GLY A 92 -2.757 31.097 21.669 1.00 14.71 C ATOM 1443 O GLY A 92 -3.402 30.273 21.026 1.00 15.10 O ATOM 1444 HA3 GLY A 92 -4.151 31.045 23.251 1.00 0.00 H ATOM 1445 HA2 GLY A 92 -2.459 30.784 23.734 1.00 0.00 H ATOM 1446 H GLY A 92 -2.342 32.991 24.314 1.00 0.00 H ATOM 1447 N ASN A 93 -1.692 31.717 21.178 1.00 13.91 N ATOM 1448 CA ASN A 93 -1.235 31.480 19.813 1.00 14.32 C ATOM 1449 C ASN A 93 -0.929 29.995 19.601 1.00 13.35 C ATOM 1450 O ASN A 93 -1.220 29.434 18.536 1.00 14.19 O ATOM 1451 CB ASN A 93 0.050 32.288 19.496 1.00 15.25 C ATOM 1452 CG ASN A 93 -0.180 33.807 19.470 1.00 17.31 C ATOM 1453 OD1 ASN A 93 -1.010 34.288 18.743 1.00 18.88 O ATOM 1454 ND2 ASN A 93 0.565 34.546 20.287 1.00 20.46 N ATOM 1455 HA ASN A 93 -2.037 31.801 19.148 1.00 0.00 H ATOM 1456 HB2 ASN A 93 0.797 32.064 20.257 1.00 0.00 H ATOM 1457 HB3 ASN A 93 0.423 31.977 18.520 1.00 0.00 H ATOM 1458 HD22 ASN A 93 1.272 34.092 20.900 1.00 0.00 H ATOM 1459 HD21 ASN A 93 0.441 35.578 20.313 1.00 0.00 H ATOM 1460 H ASN A 93 -1.171 32.387 21.779 1.00 0.00 H ATOM 1461 N TRP A 94 -0.274 29.370 20.579 1.00 13.01 N ATOM 1462 CA TRP A 94 0.273 28.036 20.400 1.00 12.43 C ATOM 1463 C TRP A 94 -0.298 26.940 21.292 1.00 11.83 C ATOM 1464 O TRP A 94 0.063 25.778 21.145 1.00 12.41 O ATOM 1465 CB TRP A 94 1.797 28.083 20.632 1.00 12.11 C ATOM 1466 CG TRP A 94 2.512 29.155 19.834 1.00 12.22 C ATOM 1467 CD1 TRP A 94 3.000 30.350 20.309 1.00 14.15 C ATOM 1468 CD2 TRP A 94 2.802 29.134 18.435 1.00 11.91 C ATOM 1469 NE1 TRP A 94 3.553 31.076 19.284 1.00 13.85 N ATOM 1470 CE2 TRP A 94 3.437 30.354 18.122 1.00 12.25 C ATOM 1471 CE3 TRP A 94 2.578 28.214 17.408 1.00 12.24 C ATOM 1472 CZ2 TRP A 94 3.886 30.650 16.831 1.00 14.06 C ATOM 1473 CZ3 TRP A 94 3.003 28.530 16.124 1.00 15.51 C ATOM 1474 CH2 TRP A 94 3.642 29.733 15.862 1.00 13.75 C ATOM 1475 HA TRP A 94 -0.008 27.764 19.382 1.00 0.00 H ATOM 1476 HB2 TRP A 94 1.977 28.267 21.691 1.00 0.00 H ATOM 1477 HB3 TRP A 94 2.215 27.115 20.357 1.00 0.00 H ATOM 1478 HE1 TRP A 94 3.988 32.017 19.373 1.00 0.00 H ATOM 1479 HD1 TRP A 94 2.954 30.674 21.349 1.00 0.00 H ATOM 1480 HZ2 TRP A 94 4.411 31.580 16.612 1.00 0.00 H ATOM 1481 HH2 TRP A 94 3.959 29.949 14.842 1.00 0.00 H ATOM 1482 HZ3 TRP A 94 2.832 27.824 15.312 1.00 0.00 H ATOM 1483 HE3 TRP A 94 2.079 27.266 17.610 1.00 0.00 H ATOM 1484 H TRP A 94 -0.151 29.849 21.494 1.00 0.00 H ATOM 1485 N ARG A 95 -1.134 27.304 22.255 1.00 11.00 N ATOM 1486 CA ARG A 95 -1.584 26.322 23.249 1.00 10.81 C ATOM 1487 C ARG A 95 -2.261 25.106 22.646 1.00 11.33 C ATOM 1488 O ARG A 95 -1.848 23.961 22.909 1.00 11.36 O ATOM 1489 CB ARG A 95 -2.474 26.987 24.289 1.00 10.79 C ATOM 1490 CG ARG A 95 -2.889 26.046 25.394 1.00 11.57 C ATOM 1491 CD ARG A 95 -3.682 26.670 26.518 1.00 11.32 C ATOM 1492 NE ARG A 95 -4.238 25.649 27.409 1.00 12.13 N ATOM 1493 CZ ARG A 95 -5.020 25.928 28.439 1.00 13.66 C ATOM 1494 NH1 ARG A 95 -5.274 27.183 28.751 1.00 13.34 N ATOM 1495 NH2 ARG A 95 -5.534 24.947 29.159 1.00 14.83 N ATOM 1496 HA ARG A 95 -0.684 25.944 23.735 1.00 0.00 H ATOM 1497 HB2 ARG A 95 -1.930 27.823 24.729 1.00 0.00 H ATOM 1498 HB3 ARG A 95 -3.371 27.359 23.793 1.00 0.00 H ATOM 1499 HG2 ARG A 95 -3.497 25.257 24.952 1.00 0.00 H ATOM 1500 HG3 ARG A 95 -1.986 25.611 25.822 1.00 0.00 H ATOM 1501 HD2 ARG A 95 -4.499 27.255 26.095 1.00 0.00 H ATOM 1502 HD3 ARG A 95 -3.028 27.325 27.093 1.00 0.00 H ATOM 1503 HE ARG A 95 -4.006 24.653 27.222 1.00 0.00 H ATOM 1504 HH12 ARG A 95 -5.889 27.403 29.560 1.00 0.00 H ATOM 1505 HH11 ARG A 95 -4.860 27.953 28.188 1.00 0.00 H ATOM 1506 HH22 ARG A 95 -6.149 25.164 29.969 1.00 0.00 H ATOM 1507 HH21 ARG A 95 -5.324 23.958 28.916 1.00 0.00 H ATOM 1508 H ARG A 95 -1.471 28.286 22.306 1.00 0.00 H ATOM 1509 N LYS A 96 -3.277 25.326 21.818 1.00 11.03 N ATOM 1510 CA LYS A 96 -3.978 24.195 21.242 1.00 11.86 C ATOM 1511 C LYS A 96 -3.082 23.409 20.276 1.00 11.40 C ATOM 1512 O LYS A 96 -3.121 22.180 20.254 1.00 12.45 O ATOM 1513 CB LYS A 96 -5.276 24.616 20.582 1.00 13.60 C ATOM 1514 CG LYS A 96 -6.053 23.404 20.075 1.00 17.20 C ATOM 1515 CD LYS A 96 -7.472 23.716 19.683 1.00 20.96 C ATOM 1516 CE LYS A 96 -8.304 22.438 19.479 1.00 21.66 C ATOM 1517 NZ LYS A 96 -7.807 21.600 18.352 1.00 22.76 N ATOM 1518 HA LYS A 96 -4.237 23.525 22.062 1.00 0.00 H ATOM 1519 HB2 LYS A 96 -5.887 25.153 21.308 1.00 0.00 H ATOM 1520 HB3 LYS A 96 -5.052 25.273 19.741 1.00 0.00 H ATOM 1521 HG2 LYS A 96 -5.535 23.003 19.204 1.00 0.00 H ATOM 1522 HG3 LYS A 96 -6.071 22.652 20.864 1.00 0.00 H ATOM 1523 HD2 LYS A 96 -7.932 24.315 20.469 1.00 0.00 H ATOM 1524 HD3 LYS A 96 -7.464 24.284 18.753 1.00 0.00 H ATOM 1525 HE2 LYS A 96 -9.336 22.723 19.273 1.00 0.00 H ATOM 1526 HE3 LYS A 96 -8.267 21.848 20.395 1.00 0.00 H ATOM 1527 HZ1 LYS A 96 -7.846 22.149 17.470 1.00 0.00 H ATOM 1528 HZ2 LYS A 96 -6.825 21.314 18.541 1.00 0.00 H ATOM 1529 HZ3 LYS A 96 -8.405 20.754 18.261 1.00 0.00 H ATOM 1530 H LYS A 96 -3.566 26.298 21.586 1.00 0.00 H ATOM 1531 N LYS A 97 -2.237 24.092 19.525 1.00 11.81 N ATOM 1532 CA LYS A 97 -1.346 23.406 18.601 1.00 11.81 C ATOM 1533 C LYS A 97 -0.413 22.438 19.333 1.00 12.79 C ATOM 1534 O LYS A 97 -0.236 21.299 18.889 1.00 13.41 O ATOM 1535 CB LYS A 97 -0.534 24.390 17.765 1.00 12.54 C ATOM 1536 CG LYS A 97 -1.338 25.063 16.669 1.00 12.99 C ATOM 1537 CD LYS A 97 -0.490 26.115 15.930 1.00 13.10 C ATOM 1538 CE LYS A 97 -1.230 26.716 14.731 1.00 13.64 C ATOM 1539 NZ LYS A 97 -0.486 27.846 14.071 1.00 14.56 N ATOM 1540 HA LYS A 97 -1.978 22.828 17.927 1.00 0.00 H ATOM 1541 HB2 LYS A 97 -0.139 25.161 18.427 1.00 0.00 H ATOM 1542 HB3 LYS A 97 0.293 23.850 17.304 1.00 0.00 H ATOM 1543 HG2 LYS A 97 -1.671 24.309 15.956 1.00 0.00 H ATOM 1544 HG3 LYS A 97 -2.206 25.551 17.112 1.00 0.00 H ATOM 1545 HD2 LYS A 97 -0.239 26.916 16.626 1.00 0.00 H ATOM 1546 HD3 LYS A 97 0.426 25.642 15.576 1.00 0.00 H ATOM 1547 HE2 LYS A 97 -2.195 27.091 15.073 1.00 0.00 H ATOM 1548 HE3 LYS A 97 -1.388 25.929 13.993 1.00 0.00 H ATOM 1549 HZ1 LYS A 97 -0.336 28.610 14.760 1.00 0.00 H ATOM 1550 HZ2 LYS A 97 0.434 27.501 13.729 1.00 0.00 H ATOM 1551 HZ3 LYS A 97 -1.043 28.205 13.269 1.00 0.00 H ATOM 1552 H LYS A 97 -2.208 25.129 19.595 1.00 0.00 H ATOM 1553 N TYR A 98 0.182 22.861 20.437 1.00 12.21 N ATOM 1554 CA TYR A 98 1.101 21.975 21.171 1.00 12.48 C ATOM 1555 C TYR A 98 0.343 20.875 21.887 1.00 12.81 C ATOM 1556 O TYR A 98 0.805 19.720 21.923 1.00 13.62 O ATOM 1557 CB TYR A 98 1.951 22.756 22.174 1.00 12.71 C ATOM 1558 CG TYR A 98 3.217 23.371 21.590 1.00 13.76 C ATOM 1559 CD1 TYR A 98 4.256 22.574 21.150 1.00 14.86 C ATOM 1560 CD2 TYR A 98 3.385 24.748 21.534 1.00 15.49 C ATOM 1561 CE1 TYR A 98 5.419 23.123 20.632 1.00 17.14 C ATOM 1562 CE2 TYR A 98 4.534 25.309 21.015 1.00 18.25 C ATOM 1563 CZ TYR A 98 5.557 24.481 20.581 1.00 17.19 C ATOM 1564 OH TYR A 98 6.729 25.012 20.066 1.00 20.93 O ATOM 1565 HA TYR A 98 1.765 21.523 20.435 1.00 0.00 H ATOM 1566 HB3 TYR A 98 2.241 22.077 22.976 1.00 0.00 H ATOM 1567 HB2 TYR A 98 1.340 23.560 22.584 1.00 0.00 H ATOM 1568 HD2 TYR A 98 2.594 25.399 21.907 1.00 0.00 H ATOM 1569 HE2 TYR A 98 4.636 26.392 20.947 1.00 0.00 H ATOM 1570 HE1 TYR A 98 6.217 22.476 20.268 1.00 0.00 H ATOM 1571 HD1 TYR A 98 4.159 21.490 21.211 1.00 0.00 H ATOM 1572 HH TYR A 98 7.339 24.276 19.810 1.00 0.00 H ATOM 1573 H TYR A 98 -0.000 23.823 20.788 1.00 0.00 H ATOM 1574 N GLU A 99 -0.821 21.189 22.451 1.00 11.92 N ATOM 1575 CA GLU A 99 -1.604 20.157 23.135 1.00 12.75 C ATOM 1576 C GLU A 99 -2.068 19.080 22.164 1.00 13.65 C ATOM 1577 O GLU A 99 -2.087 17.882 22.512 1.00 14.37 O ATOM 1578 CB GLU A 99 -2.789 20.765 23.873 1.00 11.73 C ATOM 1579 CG GLU A 99 -2.393 21.608 25.084 1.00 13.13 C ATOM 1580 CD GLU A 99 -3.564 22.323 25.723 1.00 14.97 C ATOM 1581 OE1 GLU A 99 -4.655 22.323 25.082 1.00 17.05 O ATOM 1582 OE2 GLU A 99 -3.398 22.896 26.819 1.00 14.18 O ATOM 1583 HA GLU A 99 -0.953 19.686 23.871 1.00 0.00 H ATOM 1584 HB2 GLU A 99 -3.339 21.399 23.178 1.00 0.00 H ATOM 1585 HB3 GLU A 99 -3.435 19.955 24.213 1.00 0.00 H ATOM 1586 HG2 GLU A 99 -1.939 20.954 25.828 1.00 0.00 H ATOM 1587 HG3 GLU A 99 -1.665 22.353 24.764 1.00 0.00 H ATOM 1588 H GLU A 99 -1.174 22.166 22.406 1.00 0.00 H ATOM 1589 N ASP A 100 -2.427 19.477 20.946 1.00 14.88 N ATOM 1590 CA ASP A 100 -2.890 18.494 19.958 1.00 16.25 C ATOM 1591 C ASP A 100 -1.736 17.555 19.588 1.00 17.40 C ATOM 1592 O ASP A 100 -1.934 16.335 19.444 1.00 18.40 O ATOM 1593 CB ASP A 100 -3.425 19.181 18.707 1.00 15.61 C ATOM 1594 CG ASP A 100 -4.764 19.853 18.919 1.00 17.10 C ATOM 1595 OD1 ASP A 100 -5.409 19.657 19.964 1.00 16.57 O ATOM 1596 OD2 ASP A 100 -5.261 20.597 18.046 1.00 16.48 O ATOM 1597 HA ASP A 100 -3.703 17.918 20.400 1.00 0.00 H ATOM 1598 HB2 ASP A 100 -2.705 19.936 18.392 1.00 0.00 H ATOM 1599 HB3 ASP A 100 -3.533 18.434 17.921 1.00 0.00 H ATOM 1600 H ASP A 100 -2.380 20.485 20.693 1.00 0.00 H ATOM 1601 N ARG A 101 -0.532 18.108 19.466 1.00 18.22 N ATOM 1602 CA ARG A 101 0.652 17.289 19.142 1.00 19.22 C ATOM 1603 C ARG A 101 0.941 16.320 20.256 1.00 20.63 C ATOM 1604 O ARG A 101 1.219 15.149 20.006 1.00 20.50 O ATOM 1605 CB ARG A 101 1.878 18.171 18.918 1.00 19.84 C ATOM 1606 CG ARG A 101 1.829 18.883 17.647 1.00 22.73 C ATOM 1607 CD ARG A 101 0.427 19.122 17.241 1.00 27.03 C ATOM 1608 NE ARG A 101 0.274 19.791 15.972 1.00 31.22 N ATOM 1609 CZ ARG A 101 -0.624 20.725 15.755 1.00 31.45 C ATOM 1610 NH1 ARG A 101 -1.441 21.089 16.719 1.00 33.70 N ATOM 1611 NH2 ARG A 101 -0.711 21.284 14.560 1.00 35.77 N ATOM 1612 HA ARG A 101 0.435 16.739 18.226 1.00 0.00 H ATOM 1613 HB2 ARG A 101 1.936 18.901 19.726 1.00 0.00 H ATOM 1614 HB3 ARG A 101 2.768 17.543 18.933 1.00 0.00 H ATOM 1615 HG2 ARG A 101 2.341 19.840 17.751 1.00 0.00 H ATOM 1616 HG3 ARG A 101 2.328 18.287 16.882 1.00 0.00 H ATOM 1617 HD2 ARG A 101 -0.049 19.733 18.007 1.00 0.00 H ATOM 1618 HD3 ARG A 101 -0.079 18.158 17.181 1.00 0.00 H ATOM 1619 HE ARG A 101 0.905 19.521 15.191 1.00 0.00 H ATOM 1620 HH12 ARG A 101 -2.152 21.828 16.547 1.00 0.00 H ATOM 1621 HH11 ARG A 101 -1.376 20.637 17.654 1.00 0.00 H ATOM 1622 HH22 ARG A 101 -1.420 22.024 14.382 1.00 0.00 H ATOM 1623 HH21 ARG A 101 -0.070 20.984 13.798 1.00 0.00 H ATOM 1624 H ARG A 101 -0.424 19.133 19.601 1.00 0.00 H ATOM 1625 N ALA A 102 0.884 16.804 21.489 1.00 20.80 N ATOM 1626 CA ALA A 102 1.172 15.978 22.652 1.00 21.98 C ATOM 1627 C ALA A 102 0.222 14.798 22.751 1.00 22.84 C ATOM 1628 O ALA A 102 0.654 13.704 23.082 1.00 24.13 O ATOM 1629 CB ALA A 102 1.112 16.810 23.909 1.00 21.85 C ATOM 1630 HA ALA A 102 2.180 15.579 22.536 1.00 0.00 H ATOM 1631 HB1 ALA A 102 1.848 17.611 23.848 1.00 0.00 H ATOM 1632 HB2 ALA A 102 0.115 17.238 24.013 1.00 0.00 H ATOM 1633 HB3 ALA A 102 1.329 16.180 24.771 1.00 0.00 H ATOM 1634 H ALA A 102 0.626 17.802 21.629 1.00 0.00 H ATOM 1635 N LYS A 103 -1.057 15.027 22.457 1.00 23.88 N ATOM 1636 CA LYS A 103 -2.091 13.992 22.528 1.00 24.54 C ATOM 1637 C LYS A 103 -1.993 12.968 21.402 1.00 24.92 C ATOM 1638 O LYS A 103 -1.403 13.256 20.360 1.00 26.11 O ATOM 1639 CB LYS A 103 -3.463 14.636 22.518 1.00 25.00 C ATOM 1640 HA LYS A 103 -1.932 13.451 23.461 1.00 0.00 H ATOM 1641 HB2 LYS A 103 -3.557 15.300 23.377 1.00 0.00 H ATOM 1642 HB3 LYS A 103 -3.588 15.209 21.599 1.00 0.00 H ATOM 1643 H LYS A 103 -1.334 15.985 22.163 1.00 0.00 H TER 1644 LYS A 103 HETATM 1645 O HOH 1 12.604 32.957 17.813 1.00 11.65 O HETATM 1646 O HOH 2 17.248 28.352 36.674 1.00 13.31 O HETATM 1647 O HOH 3 -2.107 30.019 26.304 1.00 14.18 O HETATM 1648 O HOH 4 -2.769 27.055 19.049 1.00 14.98 O HETATM 1649 O HOH 5 12.055 37.709 24.942 1.00 13.26 O HETATM 1650 O HOH 6 14.384 29.148 40.674 1.00 14.09 O HETATM 1651 O HOH 7 28.769 32.258 29.306 1.00 20.18 O HETATM 1652 O HOH 8 28.786 27.843 21.291 1.00 17.34 O HETATM 1653 O HOH 9 2.496 20.500 37.627 1.00 20.25 O HETATM 1654 O HOH 10 -3.754 29.752 28.431 1.00 16.05 O HETATM 1655 O HOH 11 13.325 27.669 42.755 1.00 15.57 O HETATM 1656 O HOH 12 28.645 26.747 17.089 1.00 20.25 O HETATM 1657 O HOH 13 12.245 29.511 44.609 1.00 19.85 O HETATM 1658 O HOH 14 26.430 23.580 25.625 1.00 18.72 O HETATM 1659 O HOH 15 -0.116 35.340 23.327 1.00 18.08 O HETATM 1660 O HOH 16 11.091 36.792 27.360 1.00 14.54 O HETATM 1661 O HOH 17 8.175 25.628 43.630 1.00 17.66 O HETATM 1662 O HOH 18 -3.223 28.312 30.884 1.00 18.56 O HETATM 1663 O HOH 19 0.462 32.116 34.917 1.00 17.39 O HETATM 1664 O HOH 20 13.586 12.525 30.956 1.00 19.51 O HETATM 1665 O HOH 21 24.249 25.697 16.573 1.00 22.92 O HETATM 1666 O HOH 22 22.682 24.054 18.258 1.00 18.92 O HETATM 1667 O HOH 23 20.994 23.083 16.275 1.00 21.83 O HETATM 1668 O HOH 24 8.139 16.021 35.932 1.00 21.94 O HETATM 1669 O HOH 25 -6.827 26.394 31.417 1.00 21.62 O HETATM 1670 O HOH 26 18.561 26.049 37.107 1.00 23.65 O HETATM 1671 O HOH 27 10.399 18.795 48.186 1.00 23.65 O HETATM 1672 O HOH 28 19.549 11.485 27.152 1.00 20.90 O HETATM 1673 O HOH 29 27.145 31.226 31.316 1.00 22.99 O HETATM 1674 O HOH 30 10.617 16.098 37.093 1.00 24.22 O HETATM 1675 O HOH 31 2.216 38.774 25.847 1.00 26.55 O HETATM 1676 O HOH 32 5.217 10.961 29.250 1.00 31.82 O HETATM 1677 O HOH 33 -2.982 17.130 25.175 1.00 24.67 O HETATM 1678 O HOH 34 12.516 14.145 40.043 1.00 62.89 O HETATM 1679 O HOH 35 0.175 16.556 35.833 1.00 18.07 O HETATM 1680 O HOH 36 14.772 20.821 15.082 1.00 24.26 O HETATM 1681 O HOH 37 9.337 37.146 31.490 1.00 20.11 O HETATM 1682 O HOH 38 11.657 16.821 20.446 1.00 26.05 O HETATM 1683 O HOH 39 -3.261 34.488 30.354 1.00 20.35 O HETATM 1684 O HOH 40 18.002 23.215 37.552 1.00 20.50 O HETATM 1685 O HOH 41 -3.543 21.785 29.565 1.00 23.08 O HETATM 1686 O HOH 42 23.629 23.453 33.770 1.00 27.33 O HETATM 1687 O HOH 43 28.349 30.190 18.733 1.00 26.77 O HETATM 1688 O HOH 44 9.883 30.142 43.730 1.00 22.70 O HETATM 1689 O HOH 45 -0.138 14.094 34.704 1.00 24.31 O HETATM 1690 O HOH 46 14.473 30.996 44.526 1.00 23.17 O HETATM 1691 O HOH 47 -3.813 18.908 26.989 1.00 26.99 O HETATM 1692 O HOH 48 9.798 26.818 14.671 1.00 24.59 O HETATM 1693 O HOH 49 9.806 33.271 45.735 1.00 24.54 O HETATM 1694 O HOH 50 8.669 14.812 25.718 1.00 23.69 O HETATM 1695 O HOH 51 19.982 20.624 24.515 1.00 38.01 O HETATM 1696 O HOH 52 17.376 19.245 21.638 1.00 29.88 O HETATM 1697 O HOH 53 -5.091 18.754 30.672 1.00 32.64 O HETATM 1698 O HOH 54 18.163 35.357 39.416 1.00 26.96 O HETATM 1699 O HOH 55 12.040 10.455 36.510 1.00 25.59 O HETATM 1700 O HOH 56 -3.955 21.867 36.758 1.00 32.18 O HETATM 1701 O HOH 57 3.181 25.007 39.671 1.00 27.95 O HETATM 1702 O HOH 58 20.549 25.138 14.047 1.00 22.33 O HETATM 1703 O HOH 59 16.231 12.007 23.590 1.00 26.86 O HETATM 1704 O HOH 60 3.407 37.623 27.982 1.00 23.84 O HETATM 1705 O HOH 61 13.068 17.975 48.750 1.00 26.89 O HETATM 1706 O HOH 62 17.449 27.195 42.418 1.00 37.68 O HETATM 1707 O HOH 63 18.805 32.944 13.798 1.00 44.64 O HETATM 1708 O HOH 64 16.580 33.467 12.073 1.00 25.62 O HETATM 1709 O HOH 65 20.625 34.074 22.872 1.00 27.69 O HETATM 1710 O HOH 66 -5.502 28.663 32.229 1.00 26.93 O HETATM 1711 O HOH 67 10.329 38.876 15.898 1.00 28.79 O HETATM 1712 O HOH 68 0.670 29.721 39.084 1.00 31.98 O HETATM 1713 O HOH 69 -1.523 26.374 36.703 1.00 25.83 O HETATM 1714 O HOH 70 -6.479 22.097 27.927 1.00 24.15 O HETATM 1715 O HOH 71 -8.116 23.329 16.195 1.00 34.68 O HETATM 1716 O HOH 72 7.076 28.262 13.972 1.00 30.93 O HETATM 1717 O HOH 73 -4.285 15.425 18.520 1.00 33.86 O HETATM 1718 O HOH 74 0.249 39.871 29.703 1.00 45.45 O HETATM 1719 O HOH 75 17.692 36.583 36.428 1.00 49.45 O HETATM 1720 O HOH 76 16.521 29.292 45.298 1.00 29.99 O HETATM 1721 O HOH 77 19.164 23.495 40.124 1.00 29.14 O HETATM 1722 O HOH 78 25.852 31.165 19.101 1.00 32.77 O HETATM 1723 O HOH 79 18.278 28.896 13.032 1.00 29.20 O HETATM 1724 O HOH 80 -7.771 27.403 35.116 1.00 52.19 O HETATM 1725 O HOH 81 22.990 36.152 14.776 1.00 32.61 O HETATM 1726 O HOH 82 -2.623 33.394 16.521 1.00 29.23 O HETATM 1727 O HOH 83 19.212 38.199 16.019 1.00 39.63 O HETATM 1728 O HOH 84 18.019 36.663 48.469 1.00 49.69 O HETATM 1729 O HOH 85 1.582 37.527 23.657 1.00 24.19 O HETATM 1730 O HOH 86 10.395 24.298 10.748 1.00 38.93 O HETATM 1731 O HOH 87 0.885 12.100 36.080 1.00 33.82 O HETATM 1732 O HOH 88 -3.169 24.408 37.452 1.00 40.27 O HETATM 1733 O HOH 89 1.610 37.556 31.314 1.00 32.03 O HETATM 1734 O HOH 90 8.114 23.569 33.156 1.00 59.32 O HETATM 1735 O HOH 91 15.076 38.511 13.110 1.00 42.19 O HETATM 1736 O HOH 92 -0.174 11.098 19.530 1.00 43.20 O HETATM 1737 O HOH 93 -4.911 37.681 26.822 1.00 27.33 O HETATM 1738 O HOH 94 -1.705 13.371 31.046 1.00 30.92 O HETATM 1739 O HOH 95 1.229 37.358 19.847 1.00 35.65 O HETATM 1740 O HOH 96 19.599 37.505 13.607 1.00 26.59 O HETATM 1741 O HOH 97 23.214 37.692 44.162 1.00 47.10 O HETATM 1742 O HOH 98 6.446 25.028 41.950 1.00 50.54 O HETATM 1743 O HOH 99 13.044 34.968 37.907 1.00 31.08 O HETATM 1744 O HOH 100 27.457 33.000 33.446 1.00 33.87 O HETATM 1745 O HOH 101 13.377 12.008 23.228 1.00 28.39 O HETATM 1746 O HOH 102 19.875 21.887 36.002 1.00 25.56 O HETATM 1747 O HOH 103 18.892 17.075 25.673 1.00 31.27 O HETATM 1748 O HOH 104 -2.510 19.144 29.658 1.00 25.57 O HETATM 1749 O HOH 105 -1.768 30.801 35.868 1.00 36.62 O HETATM 1750 O HOH 106 6.874 38.067 29.316 1.00 28.12 O HETATM 1751 O HOH 107 -3.592 34.703 33.093 1.00 31.37 O HETATM 1752 O HOH 108 24.197 20.733 33.745 1.00 36.49 O HETATM 1753 O HOH 109 25.265 13.198 32.646 1.00 32.59 O HETATM 1754 O HOH 110 -2.500 13.174 35.271 1.00 29.31 O HETATM 1755 O HOH 111 22.420 26.847 14.455 1.00 28.80 O HETATM 1756 O HOH 112 9.935 13.000 35.450 1.00 27.68 O HETATM 1757 O HOH 113 8.141 38.839 39.381 1.00 41.40 O HETATM 1758 O HOH 114 8.816 23.382 19.160 1.00 30.53 O HETATM 1759 O HOH 115 4.111 25.743 42.180 1.00 37.64 O HETATM 1760 O HOH 116 18.088 28.472 39.932 1.00 35.64 O HETATM 1761 O HOH 117 5.262 36.222 36.908 1.00 36.59 O HETATM 1762 O HOH 118 -1.937 15.136 26.532 1.00 31.97 O HETATM 1763 O HOH 119 19.715 26.446 39.602 1.00 40.93 O HETATM 1764 O HOH 120 23.709 36.643 22.422 1.00 49.11 O HETATM 1765 O HOH 121 8.858 25.207 12.729 1.00 44.21 O HETATM 1766 O HOH 122 3.370 16.860 14.419 1.00 46.17 O HETATM 1767 O HOH 123 8.583 12.882 29.234 1.00 29.65 O HETATM 1768 O HOH 124 5.237 33.789 39.725 1.00 45.44 O HETATM 1769 O HOH 125 -2.156 15.486 29.367 1.00 32.58 O HETATM 1770 O HOH 126 15.530 17.192 22.659 1.00 33.42 O HETATM 1771 O HOH 127 13.115 15.561 44.931 1.00 34.90 O HETATM 1772 O HOH 128 25.837 34.764 24.453 1.00 38.28 O HETATM 1773 O HOH 129 10.518 10.424 34.824 1.00 43.69 O HETATM 1774 O HOH 130 22.139 27.820 23.971 1.00 15.00 O HETATM 1775 O HOH 131 25.303 34.951 20.086 1.00 43.30 O HETATM 1776 O HOH 132 7.921 19.068 43.989 1.00 38.04 O HETATM 1777 O HOH 133 1.050 31.521 37.921 1.00 40.20 O HETATM 1778 O HOH 134 22.545 34.295 31.413 1.00 27.88 O HETATM 1779 O HOH 135 20.268 37.347 27.314 1.00 31.79 O HETATM 1780 O HOH 136 23.197 35.367 24.452 1.00 37.70 O HETATM 1781 O HOH 137 10.311 14.923 21.462 1.00 36.72 O HETATM 1782 O HOH 138 -0.367 23.146 13.896 1.00 39.04 O HETATM 1783 O HOH 139 18.443 36.276 17.326 1.00 20.66 O HETATM 1784 O HOH 140 18.488 40.140 15.377 1.00 72.28 O HETATM 1785 O HOH 141 20.257 30.713 14.246 1.00 43.25 O HETATM 1786 O HOH 142 21.115 22.924 41.352 1.00 40.63 O HETATM 1787 O HOH 143 13.631 35.471 43.638 1.00 44.51 O HETATM 1788 O HOH 144 10.801 40.823 43.053 1.00 49.90 O HETATM 1789 O HOH 145 11.257 36.946 42.571 1.00 50.45 O HETATM 1790 O HOH 146 20.429 31.215 45.364 1.00 46.67 O HETATM 1791 O HOH 147 22.606 32.149 44.096 1.00 37.11 O HETATM 1792 O HOH 148 18.515 29.001 43.855 1.00 57.94 O HETATM 1793 O HOH 149 20.712 34.065 40.257 1.00 52.22 O HETATM 1794 O HOH 150 21.808 36.131 30.011 1.00 44.98 O HETATM 1795 O HOH 151 19.662 38.671 23.381 1.00 44.47 O HETATM 1796 O HOH 152 10.803 40.683 19.957 1.00 36.90 O HETATM 1797 O HOH 153 -0.123 39.715 23.474 1.00 34.29 O HETATM 1798 O HOH 154 0.308 40.354 25.820 1.00 48.06 O HETATM 1799 O HOH 155 14.245 22.853 13.314 1.00 30.43 O HETATM 1800 O HOH 156 20.248 19.192 10.889 1.00 37.49 O HETATM 1801 O HOH 157 15.838 18.228 14.518 1.00 45.91 O HETATM 1802 O HOH 158 8.706 14.399 22.936 1.00 34.36 O HETATM 1803 O HOH 159 10.830 12.998 30.360 1.00 38.56 O HETATM 1804 O HOH 160 -1.175 12.828 26.951 1.00 47.20 O HETATM 1805 O HOH 161 -3.943 18.786 40.385 1.00 27.52 O HETATM 1806 O HOH 162 3.277 16.542 42.846 1.00 41.92 O HETATM 1807 O HOH 163 2.094 16.634 38.262 1.00 36.61 O HETATM 1808 O HOH 164 -8.776 22.344 30.023 1.00 50.26 O HETATM 1809 O HOH 165 1.441 33.683 36.755 1.00 42.34 O HETATM 1810 O HOH 166 4.855 38.187 31.508 1.00 35.77 O HETATM 1811 O HOH 167 6.016 38.940 37.590 1.00 38.08 O HETATM 1812 O HOH 168 -7.076 33.708 22.379 1.00 42.20 O HETATM 1813 O HOH 169 3.145 23.640 15.530 1.00 17.38 O HETATM 1814 O HOH 170 -1.456 18.126 15.199 1.00 34.48 O HETATM 1815 O HOH 171 0.517 15.274 15.543 1.00 56.54 O HETATM 1816 O HOH 172 2.211 21.540 15.826 1.00 53.28 O HETATM 1817 O HOH 173 21.175 18.337 32.552 1.00 35.03 O HETATM 1818 O HOH 174 -4.837 36.500 29.400 1.00 29.33 O HETATM 1819 O HOH 175 24.419 13.768 27.730 1.00 37.30 O HETATM 1820 O HOH 176 -6.772 19.547 28.562 1.00 31.30 O HETATM 1821 O HOH 177 9.272 24.697 16.511 1.00 38.77 O HETATM 1822 O HOH 178 -1.693 20.248 12.289 1.00 55.56 O HETATM 1823 O HOH 179 -3.132 30.518 17.195 1.00 39.39 O HETATM 1824 O HOH 180 19.190 19.433 16.236 1.00 44.37 O HETATM 1825 O HOH 181 23.722 35.268 33.888 1.00 47.49 O HETATM 1826 O HOH 182 22.891 18.928 35.512 1.00 47.36 O HETATM 1827 O HOH 183 20.010 36.169 37.647 1.00 44.02 O HETATM 1828 O HOH 184 14.094 15.469 42.474 1.00 33.71 O HETATM 1829 O HOH 185 22.680 14.396 25.242 1.00 51.65 O HETATM 1830 O HOH 186 23.812 38.077 29.865 1.00 39.99 O HETATM 1831 O HOH 187 6.820 39.988 33.118 1.00 41.96 O HETATM 1832 O HOH 188 4.226 14.450 38.024 1.00 44.32 O HETATM 1833 O HOH 189 -2.852 28.266 35.075 1.00 42.26 O HETATM 1834 O HOH 190 10.331 42.205 39.614 1.00 39.46 O HETATM 1835 O HOH 191 -5.358 13.194 18.358 1.00 44.95 O HETATM 1836 O HOH 192 19.319 13.992 25.038 1.00 50.23 O HETATM 1837 O HOH 193 16.744 19.799 35.651 1.00 53.32 O HETATM 1838 O HOH 194 23.137 38.173 32.593 1.00 46.53 O HETATM 1839 O HOH 195 18.564 13.824 22.729 1.00 33.06 O HETATM 1840 O HOH 196 20.041 30.443 16.833 1.00 27.77 O HETATM 1841 O HOH 197 17.124 36.579 12.488 1.00 45.52 O HETATM 1842 O HOH 198 15.757 38.690 38.456 1.00 45.04 O HETATM 1843 O HOH 199 9.006 21.011 16.848 1.00 37.36 O HETATM 1844 O HOH 200 25.519 14.459 35.361 1.00 45.76 O HETATM 1845 O HOH 201 8.693 41.990 18.654 1.00 52.25 O HETATM 1846 O1 BDD A 202 18.743 23.945 24.199 1.00 -0.40 O HETATM 1847 C1 BDD A 202 18.850 24.061 25.610 1.00 0.04 C HETATM 1848 C2 BDD A 202 19.034 25.526 25.995 1.00 -0.03 C HETATM 1849 C3 BDD A 202 18.130 25.900 27.162 1.00 -0.05 C HETATM 1850 C4 BDD A 202 18.755 25.548 28.504 1.00 -0.05 C HETATM 1851 C5 BDD A 202 17.704 25.594 29.609 1.00 -0.05 C HETATM 1852 C6 BDD A 202 16.944 24.271 29.734 1.00 -0.05 C HETATM 1853 C7 BDD A 202 15.690 24.391 30.599 1.00 -0.05 C HETATM 1854 C8 BDD A 202 14.680 23.281 30.306 1.00 -0.05 C HETATM 1855 C9 BDD A 202 13.560 23.272 31.341 1.00 -0.05 C HETATM 1856 C10 BDD A 202 12.483 24.303 31.031 1.00 -0.05 C HETATM 1857 C11 BDD A 202 11.310 24.224 31.991 1.00 -0.04 C HETATM 1858 C12 BDD A 202 10.196 25.201 31.620 1.00 0.00 C HETATM 1859 BR BDD A 202 10.544 26.709 32.119 1.00 -0.09 BR HETATM 1860 H24 BDD A 202 9.259 24.874 32.094 1.00 0.04 H HETATM 1861 H25 BDD A 202 10.072 25.205 30.527 1.00 0.04 H HETATM 1862 H22 BDD A 202 11.665 24.460 33.005 1.00 0.03 H HETATM 1863 H23 BDD A 202 10.905 23.201 31.973 1.00 0.03 H HETATM 1864 H20 BDD A 202 12.114 24.132 30.009 1.00 0.03 H HETATM 1865 H21 BDD A 202 12.926 25.308 31.098 1.00 0.03 H HETATM 1866 H18 BDD A 202 13.989 23.494 32.329 1.00 0.03 H HETATM 1867 H19 BDD A 202 13.100 22.273 31.357 1.00 0.03 H HETATM 1868 H16 BDD A 202 15.197 22.310 30.327 1.00 0.03 H HETATM 1869 H17 BDD A 202 14.246 23.444 29.308 1.00 0.03 H HETATM 1870 H14 BDD A 202 15.215 25.363 30.402 1.00 0.03 H HETATM 1871 H15 BDD A 202 15.983 24.334 31.658 1.00 0.03 H HETATM 1872 H12 BDD A 202 17.612 23.523 30.185 1.00 0.03 H HETATM 1873 H13 BDD A 202 16.647 23.939 28.728 1.00 0.03 H HETATM 1874 H10 BDD A 202 16.986 26.396 29.383 1.00 0.03 H HETATM 1875 H11 BDD A 202 18.203 25.808 30.565 1.00 0.03 H HETATM 1876 H8 BDD A 202 19.553 26.270 28.733 1.00 0.03 H HETATM 1877 H9 BDD A 202 19.181 24.535 28.451 1.00 0.03 H HETATM 1878 H6 BDD A 202 17.178 25.359 27.061 1.00 0.03 H HETATM 1879 H7 BDD A 202 17.941 26.983 27.132 1.00 0.03 H HETATM 1880 H4 BDD A 202 18.786 26.159 25.130 1.00 0.03 H HETATM 1881 H5 BDD A 202 20.082 25.693 26.284 1.00 0.03 H HETATM 1882 H2 BDD A 202 19.716 23.480 25.960 1.00 0.06 H HETATM 1883 H3 BDD A 202 17.934 23.672 26.079 1.00 0.06 H HETATM 1884 H1 BDD A 202 19.534 24.280 23.794 1.00 0.21 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 435 434 546 CONECT 546 435 545 CONECT 825 824 879 CONECT 879 825 878 CONECT 1846 1847 1884 CONECT 1847 1846 1848 1882 1883 CONECT 1848 1847 1849 1880 1881 CONECT 1849 1848 1850 1878 1879 CONECT 1850 1849 1851 1876 1877 CONECT 1851 1850 1852 1874 1875 CONECT 1852 1851 1853 1872 1873 CONECT 1853 1852 1854 1870 1871 CONECT 1854 1853 1855 1868 1869 CONECT 1855 1854 1856 1866 1867 CONECT 1856 1855 1857 1864 1865 CONECT 1857 1856 1858 1862 1863 CONECT 1858 1857 1859 1860 1861 CONECT 1859 1858 CONECT 1860 1858 CONECT 1861 1858 CONECT 1862 1857 CONECT 1863 1857 CONECT 1864 1856 CONECT 1865 1856 CONECT 1866 1855 CONECT 1867 1855 CONECT 1868 1854 CONECT 1869 1854 CONECT 1870 1853 CONECT 1871 1853 CONECT 1872 1852 CONECT 1873 1852 CONECT 1874 1851 CONECT 1875 1851 CONECT 1876 1850 CONECT 1877 1850 CONECT 1878 1849 CONECT 1879 1849 CONECT 1880 1848 CONECT 1881 1848 CONECT 1882 1847 CONECT 1883 1847 CONECT 1884 1846 MASTER 0 0 0 0 0 0 0 0 1883 1 47 8 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 1n8v
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1n8u
RCSB PDB
PDBbind
112aa, >1N8U_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1n8u
RCSB PDB
PDBbind
BDD
Entry Information
PDB ID
1n8v
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
chemosensory protein
Ligand Name
BDD
EC.Number
E.C.-.-.-.-
Resolution
1.39(Å)
Affinity (Kd/Ki/IC50)
Kd=0.93uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
Proc.Natl.Acad.Sci.USA v100 pp. 5069-74, 2003
Ligand Properties
Formula
C
1
2
H
2
5
BrO
Molecular Weight
265.230
Exact Mass
264.109
No. of atoms
39
No. of bonds
38
Polar Surface Area
20.23
LOGP Value
4.98 (
Computed with XLOGP3
)
4.27 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 12
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 0
Canonical SMILES
OCCCCCCCCCCCCBr
InChI String
InChI=1S/C12H25BrO/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h14H,1-12H2
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):
Q9NG96
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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