Browse entries in the PDBbind-CN Database
HEADER 1KNA_COMPLEX COMPND 1KNA_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 52 GLU TYR ALA VAL GLU LYS ILE ILE ASP ARG ARG VAL ARG SEQRES 2 A 52 LYS GLY MET VAL GLU TYR TYR LEU LYS TRP LYS GLY TYR SEQRES 3 A 52 PRO GLU THR GLU ASN THR TRP GLU PRO GLU ASN ASN LEU SEQRES 4 A 52 ASP CYS GLN ASP LEU ILE GLN GLN TYR GLU ALA SER ARG HET GLN A 139 107 ATOM 1 N GLU A 23 -3.828 24.748 6.636 1.00 31.57 N ATOM 2 CA GLU A 23 -4.783 24.790 7.773 1.00 29.60 C ATOM 3 C GLU A 23 -4.593 26.009 8.675 1.00 27.27 C ATOM 4 O GLU A 23 -5.480 26.335 9.460 1.00 26.01 O ATOM 5 CB GLU A 23 -4.674 23.501 8.591 1.00 30.66 C ATOM 6 CG GLU A 23 -3.248 23.050 8.828 1.00 34.11 C ATOM 7 CD GLU A 23 -3.167 21.727 9.553 1.00 37.88 C ATOM 8 OE1 GLU A 23 -2.040 21.206 9.713 1.00 41.38 O ATOM 9 OE2 GLU A 23 -4.226 21.205 9.969 1.00 39.31 O ATOM 10 HA GLU A 23 -5.782 24.877 7.345 1.00 0.00 H ATOM 11 HB2 GLU A 23 -5.149 23.666 9.558 1.00 0.00 H ATOM 12 HB3 GLU A 23 -5.202 22.710 8.059 1.00 0.00 H ATOM 13 HG2 GLU A 23 -2.749 22.951 7.864 1.00 0.00 H ATOM 14 HG3 GLU A 23 -2.737 23.806 9.424 1.00 0.00 H ATOM 15 HN3 GLU A 23 -2.855 24.719 7.003 1.00 0.00 H ATOM 16 HN2 GLU A 23 -3.953 25.597 6.048 1.00 0.00 H ATOM 17 HN1 GLU A 23 -4.009 23.899 6.064 1.00 0.00 H ATOM 18 N TYR A 24 -3.447 26.681 8.565 1.00 23.59 N ATOM 19 CA TYR A 24 -3.190 27.882 9.369 1.00 22.52 C ATOM 20 C TYR A 24 -2.692 29.043 8.517 1.00 20.86 C ATOM 21 O TYR A 24 -2.003 28.843 7.517 1.00 20.31 O ATOM 22 CB TYR A 24 -2.157 27.611 10.469 1.00 20.12 C ATOM 23 CG TYR A 24 -2.556 26.531 11.442 1.00 21.80 C ATOM 24 CD1 TYR A 24 -2.216 25.202 11.207 1.00 18.75 C ATOM 25 CD2 TYR A 24 -3.291 26.836 12.593 1.00 21.12 C ATOM 26 CE1 TYR A 24 -2.595 24.198 12.089 1.00 22.20 C ATOM 27 CE2 TYR A 24 -3.679 25.837 13.484 1.00 23.44 C ATOM 28 CZ TYR A 24 -3.327 24.520 13.224 1.00 23.77 C ATOM 29 OH TYR A 24 -3.719 23.521 14.086 1.00 25.40 O ATOM 30 HA TYR A 24 -4.145 28.152 9.820 1.00 0.00 H ATOM 31 HB3 TYR A 24 -2.003 28.534 11.028 1.00 0.00 H ATOM 32 HB2 TYR A 24 -1.222 27.314 9.994 1.00 0.00 H ATOM 33 HD2 TYR A 24 -3.564 27.871 12.796 1.00 0.00 H ATOM 34 HE2 TYR A 24 -4.253 26.088 14.376 1.00 0.00 H ATOM 35 HE1 TYR A 24 -2.319 23.162 11.891 1.00 0.00 H ATOM 36 HD1 TYR A 24 -1.643 24.945 10.316 1.00 0.00 H ATOM 37 HH TYR A 24 -3.386 22.650 13.753 1.00 0.00 H ATOM 38 H TYR A 24 -2.722 26.348 7.898 1.00 0.00 H ATOM 39 N ALA A 25 -3.033 30.258 8.934 1.00 20.55 N ATOM 40 CA ALA A 25 -2.621 31.463 8.222 1.00 18.69 C ATOM 41 C ALA A 25 -1.126 31.717 8.405 1.00 17.45 C ATOM 42 O ALA A 25 -0.618 31.715 9.526 1.00 15.87 O ATOM 43 CB ALA A 25 -3.426 32.663 8.720 1.00 16.90 C ATOM 44 HA ALA A 25 -2.814 31.320 7.159 1.00 0.00 H ATOM 45 HB1 ALA A 25 -4.487 32.486 8.544 1.00 0.00 H ATOM 46 HB2 ALA A 25 -3.252 32.798 9.787 1.00 0.00 H ATOM 47 HB3 ALA A 25 -3.112 33.558 8.183 1.00 0.00 H ATOM 48 H ALA A 25 -3.611 30.353 9.794 1.00 0.00 H ATOM 49 N VAL A 26 -0.429 31.934 7.292 1.00 16.89 N ATOM 50 CA VAL A 26 1.010 32.187 7.310 1.00 13.63 C ATOM 51 C VAL A 26 1.304 33.684 7.295 1.00 16.01 C ATOM 52 O VAL A 26 0.724 34.428 6.508 1.00 14.36 O ATOM 53 CB VAL A 26 1.704 31.544 6.084 1.00 14.94 C ATOM 54 CG1 VAL A 26 3.201 31.865 6.094 1.00 10.50 C ATOM 55 CG2 VAL A 26 1.483 30.033 6.099 1.00 13.88 C ATOM 56 HA VAL A 26 1.398 31.744 8.227 1.00 0.00 H ATOM 57 HB VAL A 26 1.270 31.955 5.173 1.00 0.00 H ATOM 58 HG11 VAL A 26 3.340 32.945 6.057 1.00 0.00 H ATOM 59 HG12 VAL A 26 3.650 31.471 7.006 1.00 0.00 H ATOM 60 HG13 VAL A 26 3.675 31.406 5.226 1.00 0.00 H ATOM 61 HG21 VAL A 26 1.904 29.615 7.013 1.00 0.00 H ATOM 62 HG22 VAL A 26 0.414 29.823 6.060 1.00 0.00 H ATOM 63 HG23 VAL A 26 1.974 29.587 5.234 1.00 0.00 H ATOM 64 H VAL A 26 -0.926 31.923 6.378 1.00 0.00 H ATOM 65 N GLU A 27 2.211 34.115 8.167 1.00 15.95 N ATOM 66 CA GLU A 27 2.592 35.522 8.241 1.00 14.59 C ATOM 67 C GLU A 27 3.687 35.820 7.222 1.00 14.79 C ATOM 68 O GLU A 27 3.587 36.764 6.438 1.00 14.29 O ATOM 69 CB GLU A 27 3.101 35.867 9.643 1.00 12.67 C ATOM 70 CG GLU A 27 3.429 37.344 9.825 1.00 18.65 C ATOM 71 CD GLU A 27 3.990 37.655 11.204 1.00 19.36 C ATOM 72 OE1 GLU A 27 3.466 37.117 12.191 1.00 16.88 O ATOM 73 OE2 GLU A 27 4.947 38.447 11.299 1.00 24.86 O ATOM 74 HA GLU A 27 1.712 36.127 8.022 1.00 0.00 H ATOM 75 HB2 GLU A 27 2.333 35.592 10.366 1.00 0.00 H ATOM 76 HB3 GLU A 27 4.004 35.287 9.835 1.00 0.00 H ATOM 77 HG2 GLU A 27 4.166 37.633 9.075 1.00 0.00 H ATOM 78 HG3 GLU A 27 2.518 37.924 9.680 1.00 0.00 H ATOM 79 H GLU A 27 2.660 33.433 8.812 1.00 0.00 H ATOM 80 N LYS A 28 4.745 35.016 7.241 1.00 15.37 N ATOM 81 CA LYS A 28 5.848 35.215 6.312 1.00 16.30 C ATOM 82 C LYS A 28 6.806 34.036 6.268 1.00 17.03 C ATOM 83 O LYS A 28 6.856 33.209 7.185 1.00 14.73 O ATOM 84 CB LYS A 28 6.645 36.465 6.690 1.00 18.44 C ATOM 85 CG LYS A 28 7.351 36.359 8.034 1.00 22.01 C ATOM 86 CD LYS A 28 8.150 37.619 8.362 1.00 26.72 C ATOM 87 CE LYS A 28 8.835 37.489 9.719 1.00 30.82 C ATOM 88 NZ LYS A 28 9.632 38.693 10.086 1.00 35.43 N ATOM 89 HA LYS A 28 5.395 35.325 5.327 1.00 0.00 H ATOM 90 HB2 LYS A 28 7.396 36.640 5.920 1.00 0.00 H ATOM 91 HB3 LYS A 28 5.960 37.312 6.727 1.00 0.00 H ATOM 92 HG2 LYS A 28 6.604 36.203 8.813 1.00 0.00 H ATOM 93 HG3 LYS A 28 8.031 35.508 8.008 1.00 0.00 H ATOM 94 HD2 LYS A 28 8.907 37.773 7.593 1.00 0.00 H ATOM 95 HD3 LYS A 28 7.475 38.475 8.383 1.00 0.00 H ATOM 96 HE2 LYS A 28 9.501 36.626 9.691 1.00 0.00 H ATOM 97 HE3 LYS A 28 8.071 37.332 10.481 1.00 0.00 H ATOM 98 HZ1 LYS A 28 10.372 38.849 9.372 1.00 0.00 H ATOM 99 HZ2 LYS A 28 9.006 39.523 10.125 1.00 0.00 H ATOM 100 HZ3 LYS A 28 10.073 38.545 11.016 1.00 0.00 H ATOM 101 H LYS A 28 4.785 34.236 7.927 1.00 0.00 H ATOM 102 N ILE A 29 7.571 33.978 5.186 1.00 14.25 N ATOM 103 CA ILE A 29 8.568 32.944 5.005 1.00 16.46 C ATOM 104 C ILE A 29 9.864 33.559 5.517 1.00 17.47 C ATOM 105 O ILE A 29 10.249 34.653 5.105 1.00 15.05 O ATOM 106 CB ILE A 29 8.711 32.564 3.523 1.00 15.80 C ATOM 107 CG1 ILE A 29 7.407 31.929 3.038 1.00 17.24 C ATOM 108 CG2 ILE A 29 9.888 31.617 3.345 1.00 15.64 C ATOM 109 CD1 ILE A 29 7.337 31.715 1.545 1.00 21.60 C ATOM 110 HA ILE A 29 8.300 32.029 5.534 1.00 0.00 H ATOM 111 HB ILE A 29 8.905 33.455 2.925 1.00 0.00 H ATOM 112 HG12 ILE A 29 7.296 30.961 3.527 1.00 0.00 H ATOM 113 HG13 ILE A 29 6.582 32.579 3.329 1.00 0.00 H ATOM 114 HD11 ILE A 29 7.433 32.674 1.037 1.00 0.00 H ATOM 115 HD12 ILE A 29 8.148 31.056 1.235 1.00 0.00 H ATOM 116 HD13 ILE A 29 6.380 31.261 1.289 1.00 0.00 H ATOM 117 HG21 ILE A 29 10.801 32.107 3.682 1.00 0.00 H ATOM 118 HG22 ILE A 29 9.720 30.716 3.934 1.00 0.00 H ATOM 119 HG23 ILE A 29 9.983 31.352 2.292 1.00 0.00 H ATOM 120 H ILE A 29 7.451 34.698 4.445 1.00 0.00 H ATOM 121 N ILE A 30 10.515 32.852 6.431 1.00 16.35 N ATOM 122 CA ILE A 30 11.749 33.313 7.044 1.00 18.06 C ATOM 123 C ILE A 30 12.984 32.735 6.373 1.00 17.84 C ATOM 124 O ILE A 30 14.001 33.410 6.240 1.00 18.84 O ATOM 125 CB ILE A 30 11.797 32.918 8.538 1.00 19.70 C ATOM 126 CG1 ILE A 30 10.674 33.618 9.300 1.00 21.54 C ATOM 127 CG2 ILE A 30 13.164 33.268 9.126 1.00 21.42 C ATOM 128 CD1 ILE A 30 10.597 33.234 10.764 1.00 22.79 C ATOM 129 HA ILE A 30 11.755 34.397 6.927 1.00 0.00 H ATOM 130 HB ILE A 30 11.651 31.842 8.632 1.00 0.00 H ATOM 131 HG12 ILE A 30 10.833 34.694 9.235 1.00 0.00 H ATOM 132 HG13 ILE A 30 9.726 33.362 8.827 1.00 0.00 H ATOM 133 HD11 ILE A 30 10.426 32.161 10.848 1.00 0.00 H ATOM 134 HD12 ILE A 30 11.534 33.494 11.256 1.00 0.00 H ATOM 135 HD13 ILE A 30 9.775 33.772 11.237 1.00 0.00 H ATOM 136 HG21 ILE A 30 13.940 32.726 8.585 1.00 0.00 H ATOM 137 HG22 ILE A 30 13.335 34.340 9.032 1.00 0.00 H ATOM 138 HG23 ILE A 30 13.188 32.986 10.179 1.00 0.00 H ATOM 139 H ILE A 30 10.127 31.931 6.720 1.00 0.00 H ATOM 140 N ASP A 31 12.893 31.482 5.947 1.00 17.92 N ATOM 141 CA ASP A 31 14.032 30.828 5.324 1.00 18.43 C ATOM 142 C ASP A 31 13.576 29.695 4.412 1.00 17.54 C ATOM 143 O ASP A 31 12.399 29.334 4.400 1.00 15.06 O ATOM 144 CB ASP A 31 14.959 30.289 6.416 1.00 18.96 C ATOM 145 CG ASP A 31 16.393 30.085 5.933 1.00 21.54 C ATOM 146 OD1 ASP A 31 16.679 30.311 4.740 1.00 20.18 O ATOM 147 OD2 ASP A 31 17.234 29.697 6.766 1.00 24.47 O ATOM 148 HA ASP A 31 14.568 31.554 4.713 1.00 0.00 H ATOM 149 HB2 ASP A 31 14.969 30.997 7.245 1.00 0.00 H ATOM 150 HB3 ASP A 31 14.569 29.332 6.762 1.00 0.00 H ATOM 151 H ASP A 31 11.999 30.963 6.060 1.00 0.00 H ATOM 152 N ARG A 32 14.524 29.145 3.658 1.00 16.95 N ATOM 153 CA ARG A 32 14.268 28.063 2.712 1.00 18.42 C ATOM 154 C ARG A 32 15.437 27.080 2.728 1.00 19.18 C ATOM 155 O ARG A 32 16.585 27.478 2.895 1.00 20.25 O ATOM 156 CB ARG A 32 14.107 28.635 1.302 1.00 19.47 C ATOM 157 CG ARG A 32 14.099 27.596 0.191 1.00 24.93 C ATOM 158 CD ARG A 32 14.118 28.249 -1.195 1.00 30.29 C ATOM 159 NE ARG A 32 14.227 27.267 -2.274 1.00 34.34 N ATOM 160 CZ ARG A 32 15.280 26.476 -2.461 1.00 36.57 C ATOM 161 NH1 ARG A 32 16.320 26.548 -1.643 1.00 38.25 N ATOM 162 NH2 ARG A 32 15.294 25.610 -3.465 1.00 39.57 N ATOM 163 HA ARG A 32 13.352 27.546 3.000 1.00 0.00 H ATOM 164 HB2 ARG A 32 13.165 29.182 1.263 1.00 0.00 H ATOM 165 HB3 ARG A 32 14.932 29.323 1.118 1.00 0.00 H ATOM 166 HG2 ARG A 32 14.979 26.961 0.295 1.00 0.00 H ATOM 167 HG3 ARG A 32 13.200 26.987 0.283 1.00 0.00 H ATOM 168 HD2 ARG A 32 14.970 28.927 -1.251 1.00 0.00 H ATOM 169 HD3 ARG A 32 13.196 28.815 -1.328 1.00 0.00 H ATOM 170 HE ARG A 32 13.430 27.182 -2.937 1.00 0.00 H ATOM 171 HH12 ARG A 32 17.142 25.928 -1.791 1.00 0.00 H ATOM 172 HH11 ARG A 32 16.314 27.224 -0.853 1.00 0.00 H ATOM 173 HH22 ARG A 32 16.119 24.993 -3.608 1.00 0.00 H ATOM 174 HH21 ARG A 32 14.480 25.548 -4.109 1.00 0.00 H ATOM 175 H ARG A 32 15.496 29.504 3.747 1.00 0.00 H ATOM 176 N ARG A 33 15.141 25.797 2.561 1.00 18.67 N ATOM 177 CA ARG A 33 16.188 24.788 2.545 1.00 20.16 C ATOM 178 C ARG A 33 15.717 23.580 1.763 1.00 19.27 C ATOM 179 O ARG A 33 14.550 23.478 1.385 1.00 18.53 O ATOM 180 CB ARG A 33 16.543 24.343 3.970 1.00 20.35 C ATOM 181 CG ARG A 33 15.494 23.434 4.605 1.00 21.30 C ATOM 182 CD ARG A 33 15.831 23.098 6.050 1.00 23.46 C ATOM 183 NE ARG A 33 14.851 22.183 6.635 1.00 23.00 N ATOM 184 CZ ARG A 33 14.886 21.750 7.892 1.00 25.37 C ATOM 185 NH1 ARG A 33 15.854 22.148 8.710 1.00 23.95 N ATOM 186 NH2 ARG A 33 13.954 20.913 8.328 1.00 22.79 N ATOM 187 HA ARG A 33 17.071 25.223 2.078 1.00 0.00 H ATOM 188 HB2 ARG A 33 17.491 23.806 3.938 1.00 0.00 H ATOM 189 HB3 ARG A 33 16.651 25.232 4.592 1.00 0.00 H ATOM 190 HG2 ARG A 33 14.528 23.938 4.577 1.00 0.00 H ATOM 191 HG3 ARG A 33 15.437 22.508 4.032 1.00 0.00 H ATOM 192 HD2 ARG A 33 15.847 24.019 6.633 1.00 0.00 H ATOM 193 HD3 ARG A 33 16.815 22.631 6.084 1.00 0.00 H ATOM 194 HE ARG A 33 14.076 21.849 6.028 1.00 0.00 H ATOM 195 HH12 ARG A 33 15.878 21.807 9.692 1.00 0.00 H ATOM 196 HH11 ARG A 33 16.588 22.801 8.368 1.00 0.00 H ATOM 197 HH22 ARG A 33 13.979 20.573 9.310 1.00 0.00 H ATOM 198 HH21 ARG A 33 13.198 20.597 7.687 1.00 0.00 H ATOM 199 H ARG A 33 14.149 25.510 2.440 1.00 0.00 H ATOM 200 N VAL A 34 16.644 22.664 1.530 1.00 19.59 N ATOM 201 CA VAL A 34 16.343 21.435 0.826 1.00 18.85 C ATOM 202 C VAL A 34 16.705 20.284 1.755 1.00 20.25 C ATOM 203 O VAL A 34 17.833 20.213 2.247 1.00 18.48 O ATOM 204 CB VAL A 34 17.166 21.309 -0.464 1.00 21.01 C ATOM 205 CG1 VAL A 34 16.897 19.960 -1.117 1.00 18.87 C ATOM 206 CG2 VAL A 34 16.816 22.443 -1.417 1.00 20.26 C ATOM 207 HA VAL A 34 15.288 21.423 0.551 1.00 0.00 H ATOM 208 HB VAL A 34 18.227 21.375 -0.222 1.00 0.00 H ATOM 209 HG11 VAL A 34 17.179 19.162 -0.430 1.00 0.00 H ATOM 210 HG12 VAL A 34 15.837 19.878 -1.356 1.00 0.00 H ATOM 211 HG13 VAL A 34 17.484 19.877 -2.032 1.00 0.00 H ATOM 212 HG21 VAL A 34 15.755 22.396 -1.662 1.00 0.00 H ATOM 213 HG22 VAL A 34 17.038 23.398 -0.941 1.00 0.00 H ATOM 214 HG23 VAL A 34 17.405 22.345 -2.329 1.00 0.00 H ATOM 215 H VAL A 34 17.615 22.832 1.862 1.00 0.00 H ATOM 216 N ARG A 35 15.743 19.397 1.995 1.00 19.59 N ATOM 217 CA ARG A 35 15.934 18.236 2.864 1.00 22.25 C ATOM 218 C ARG A 35 15.264 17.021 2.231 1.00 21.03 C ATOM 219 O ARG A 35 14.101 17.078 1.846 1.00 20.72 O ATOM 220 CB ARG A 35 15.313 18.488 4.242 1.00 23.50 C ATOM 221 CG ARG A 35 16.049 19.510 5.086 1.00 29.68 C ATOM 222 CD ARG A 35 17.326 18.923 5.675 1.00 34.74 C ATOM 223 NE ARG A 35 18.105 19.917 6.411 1.00 36.74 N ATOM 224 CZ ARG A 35 18.806 20.893 5.841 1.00 38.38 C ATOM 225 NH1 ARG A 35 18.832 21.012 4.520 1.00 38.92 N ATOM 226 NH2 ARG A 35 19.484 21.752 6.592 1.00 40.58 N ATOM 227 HA ARG A 35 17.003 18.059 2.984 1.00 0.00 H ATOM 228 HB2 ARG A 35 14.291 18.839 4.096 1.00 0.00 H ATOM 229 HB3 ARG A 35 15.298 17.544 4.787 1.00 0.00 H ATOM 230 HG2 ARG A 35 16.306 20.367 4.463 1.00 0.00 H ATOM 231 HG3 ARG A 35 15.399 19.835 5.899 1.00 0.00 H ATOM 232 HD2 ARG A 35 17.938 18.528 4.864 1.00 0.00 H ATOM 233 HD3 ARG A 35 17.059 18.113 6.354 1.00 0.00 H ATOM 234 HE ARG A 35 18.112 19.857 7.449 1.00 0.00 H ATOM 235 HH12 ARG A 35 19.381 21.776 4.077 1.00 0.00 H ATOM 236 HH11 ARG A 35 18.303 20.341 3.927 1.00 0.00 H ATOM 237 HH22 ARG A 35 20.032 22.515 6.144 1.00 0.00 H ATOM 238 HH21 ARG A 35 19.468 21.663 7.628 1.00 0.00 H ATOM 239 H ARG A 35 14.815 19.535 1.545 1.00 0.00 H ATOM 240 N LYS A 36 15.999 15.923 2.124 1.00 21.65 N ATOM 241 CA LYS A 36 15.451 14.718 1.525 1.00 22.34 C ATOM 242 C LYS A 36 14.928 15.017 0.125 1.00 20.36 C ATOM 243 O LYS A 36 13.909 14.471 -0.293 1.00 22.37 O ATOM 244 CB LYS A 36 14.317 14.168 2.389 1.00 24.92 C ATOM 245 CG LYS A 36 14.783 13.612 3.720 1.00 27.22 C ATOM 246 CD LYS A 36 13.628 12.984 4.475 1.00 33.35 C ATOM 247 CE LYS A 36 14.139 11.966 5.478 1.00 34.02 C ATOM 248 NZ LYS A 36 15.153 12.568 6.390 1.00 36.89 N ATOM 249 HA LYS A 36 16.244 13.973 1.459 1.00 0.00 H ATOM 250 HB2 LYS A 36 13.608 14.973 2.581 1.00 0.00 H ATOM 251 HB3 LYS A 36 13.819 13.371 1.838 1.00 0.00 H ATOM 252 HG2 LYS A 36 15.548 12.856 3.544 1.00 0.00 H ATOM 253 HG3 LYS A 36 15.204 14.421 4.318 1.00 0.00 H ATOM 254 HD2 LYS A 36 13.078 13.763 5.003 1.00 0.00 H ATOM 255 HD3 LYS A 36 12.964 12.488 3.767 1.00 0.00 H ATOM 256 HE2 LYS A 36 14.594 11.134 4.940 1.00 0.00 H ATOM 257 HE3 LYS A 36 13.301 11.599 6.071 1.00 0.00 H ATOM 258 HZ1 LYS A 36 15.958 12.916 5.830 1.00 0.00 H ATOM 259 HZ2 LYS A 36 14.723 13.360 6.910 1.00 0.00 H ATOM 260 HZ3 LYS A 36 15.483 11.847 7.064 1.00 0.00 H ATOM 261 H LYS A 36 16.979 15.924 2.473 1.00 0.00 H ATOM 262 N GLY A 37 15.633 15.888 -0.590 1.00 17.31 N ATOM 263 CA GLY A 37 15.239 16.243 -1.945 1.00 19.27 C ATOM 264 C GLY A 37 13.954 17.051 -2.037 1.00 20.65 C ATOM 265 O GLY A 37 13.402 17.224 -3.125 1.00 20.77 O ATOM 266 HA3 GLY A 37 15.104 15.322 -2.513 1.00 0.00 H ATOM 267 HA2 GLY A 37 16.043 16.829 -2.391 1.00 0.00 H ATOM 268 H GLY A 37 16.481 16.323 -0.174 1.00 0.00 H ATOM 269 N MET A 38 13.488 17.549 -0.893 1.00 19.08 N ATOM 270 CA MET A 38 12.268 18.354 -0.808 1.00 22.90 C ATOM 271 C MET A 38 12.584 19.788 -0.427 1.00 21.59 C ATOM 272 O MET A 38 13.381 20.030 0.476 1.00 20.12 O ATOM 273 CB MET A 38 11.326 17.790 0.259 1.00 28.19 C ATOM 274 CG MET A 38 10.511 16.585 -0.159 1.00 36.81 C ATOM 275 SD MET A 38 9.186 16.961 -1.346 1.00 45.49 S ATOM 276 CE MET A 38 9.985 16.572 -2.912 1.00 45.37 C ATOM 277 HA MET A 38 11.797 18.324 -1.791 1.00 0.00 H ATOM 278 HB2 MET A 38 11.928 17.505 1.122 1.00 0.00 H ATOM 279 HB3 MET A 38 10.633 18.581 0.547 1.00 0.00 H ATOM 280 HG2 MET A 38 10.059 16.151 0.733 1.00 0.00 H ATOM 281 HG3 MET A 38 11.183 15.858 -0.615 1.00 0.00 H ATOM 282 HE1 MET A 38 10.866 17.202 -3.035 1.00 0.00 H ATOM 283 HE2 MET A 38 10.283 15.524 -2.916 1.00 0.00 H ATOM 284 HE3 MET A 38 9.288 16.756 -3.730 1.00 0.00 H ATOM 285 H MET A 38 14.016 17.357 -0.018 1.00 0.00 H ATOM 286 N VAL A 39 11.952 20.740 -1.102 1.00 21.58 N ATOM 287 CA VAL A 39 12.161 22.142 -0.770 1.00 20.42 C ATOM 288 C VAL A 39 11.284 22.418 0.453 1.00 19.70 C ATOM 289 O VAL A 39 10.124 22.004 0.492 1.00 19.21 O ATOM 290 CB VAL A 39 11.720 23.066 -1.917 1.00 22.05 C ATOM 291 CG1 VAL A 39 11.880 24.519 -1.505 1.00 18.90 C ATOM 292 CG2 VAL A 39 12.547 22.773 -3.160 1.00 22.75 C ATOM 293 HA VAL A 39 13.218 22.333 -0.586 1.00 0.00 H ATOM 294 HB VAL A 39 10.669 22.883 -2.142 1.00 0.00 H ATOM 295 HG11 VAL A 39 11.264 24.717 -0.628 1.00 0.00 H ATOM 296 HG12 VAL A 39 12.926 24.715 -1.268 1.00 0.00 H ATOM 297 HG13 VAL A 39 11.565 25.165 -2.325 1.00 0.00 H ATOM 298 HG21 VAL A 39 13.601 22.945 -2.942 1.00 0.00 H ATOM 299 HG22 VAL A 39 12.400 21.734 -3.456 1.00 0.00 H ATOM 300 HG23 VAL A 39 12.230 23.431 -3.969 1.00 0.00 H ATOM 301 H VAL A 39 11.303 20.483 -1.873 1.00 0.00 H ATOM 302 N GLU A 40 11.841 23.090 1.456 1.00 17.61 N ATOM 303 CA GLU A 40 11.085 23.415 2.661 1.00 15.26 C ATOM 304 C GLU A 40 11.253 24.875 3.021 1.00 14.60 C ATOM 305 O GLU A 40 12.309 25.461 2.786 1.00 14.12 O ATOM 306 CB GLU A 40 11.535 22.571 3.853 1.00 16.30 C ATOM 307 CG GLU A 40 11.412 21.083 3.662 1.00 17.37 C ATOM 308 CD GLU A 40 11.650 20.328 4.953 1.00 18.95 C ATOM 309 OE1 GLU A 40 12.471 20.799 5.770 1.00 15.29 O ATOM 310 OE2 GLU A 40 11.030 19.263 5.138 1.00 20.97 O ATOM 311 HA GLU A 40 10.039 23.200 2.443 1.00 0.00 H ATOM 312 HB2 GLU A 40 12.581 22.801 4.055 1.00 0.00 H ATOM 313 HB3 GLU A 40 10.930 22.853 4.715 1.00 0.00 H ATOM 314 HG2 GLU A 40 10.410 20.855 3.300 1.00 0.00 H ATOM 315 HG3 GLU A 40 12.146 20.760 2.924 1.00 0.00 H ATOM 316 H GLU A 40 12.834 23.390 1.380 1.00 0.00 H ATOM 317 N TYR A 41 10.209 25.454 3.603 1.00 13.15 N ATOM 318 CA TYR A 41 10.222 26.858 4.007 1.00 12.31 C ATOM 319 C TYR A 41 10.031 26.974 5.517 1.00 13.07 C ATOM 320 O TYR A 41 9.218 26.262 6.103 1.00 13.02 O ATOM 321 CB TYR A 41 9.095 27.608 3.287 1.00 12.45 C ATOM 322 CG TYR A 41 9.305 27.764 1.794 1.00 14.67 C ATOM 323 CD1 TYR A 41 10.256 28.657 1.295 1.00 15.95 C ATOM 324 CD2 TYR A 41 8.560 27.018 0.881 1.00 16.53 C ATOM 325 CE1 TYR A 41 10.459 28.804 -0.081 1.00 18.28 C ATOM 326 CE2 TYR A 41 8.757 27.157 -0.498 1.00 17.19 C ATOM 327 CZ TYR A 41 9.706 28.048 -0.968 1.00 17.33 C ATOM 328 OH TYR A 41 9.921 28.186 -2.322 1.00 19.67 O ATOM 329 HA TYR A 41 11.183 27.296 3.738 1.00 0.00 H ATOM 330 HB3 TYR A 41 9.011 28.602 3.726 1.00 0.00 H ATOM 331 HB2 TYR A 41 8.165 27.062 3.446 1.00 0.00 H ATOM 332 HD2 TYR A 41 7.812 26.315 1.247 1.00 0.00 H ATOM 333 HE2 TYR A 41 8.166 26.566 -1.198 1.00 0.00 H ATOM 334 HE1 TYR A 41 11.203 29.507 -0.454 1.00 0.00 H ATOM 335 HD1 TYR A 41 10.850 29.250 1.990 1.00 0.00 H ATOM 336 HH TYR A 41 10.205 27.316 -2.700 1.00 0.00 H ATOM 337 H TYR A 41 9.353 24.889 3.777 1.00 0.00 H ATOM 338 N TYR A 42 10.793 27.863 6.146 1.00 13.23 N ATOM 339 CA TYR A 42 10.673 28.078 7.582 1.00 14.11 C ATOM 340 C TYR A 42 9.610 29.165 7.722 1.00 13.70 C ATOM 341 O TYR A 42 9.809 30.300 7.292 1.00 14.66 O ATOM 342 CB TYR A 42 12.005 28.545 8.163 1.00 13.78 C ATOM 343 CG TYR A 42 12.066 28.474 9.669 1.00 15.47 C ATOM 344 CD1 TYR A 42 11.774 27.289 10.341 1.00 17.14 C ATOM 345 CD2 TYR A 42 12.442 29.585 10.424 1.00 17.08 C ATOM 346 CE1 TYR A 42 11.853 27.212 11.734 1.00 18.49 C ATOM 347 CE2 TYR A 42 12.527 29.518 11.817 1.00 19.55 C ATOM 348 CZ TYR A 42 12.229 28.327 12.463 1.00 18.03 C ATOM 349 OH TYR A 42 12.296 28.264 13.837 1.00 20.50 O ATOM 350 HA TYR A 42 10.403 27.168 8.118 1.00 0.00 H ATOM 351 HB3 TYR A 42 12.170 29.579 7.860 1.00 0.00 H ATOM 352 HB2 TYR A 42 12.798 27.917 7.756 1.00 0.00 H ATOM 353 HD2 TYR A 42 12.674 30.522 9.918 1.00 0.00 H ATOM 354 HE2 TYR A 42 12.825 30.395 12.392 1.00 0.00 H ATOM 355 HE1 TYR A 42 11.619 26.278 12.244 1.00 0.00 H ATOM 356 HD1 TYR A 42 11.479 26.408 9.771 1.00 0.00 H ATOM 357 HH TYR A 42 12.056 27.352 14.136 1.00 0.00 H ATOM 358 H TYR A 42 11.487 28.415 5.603 1.00 0.00 H ATOM 359 N LEU A 43 8.483 28.810 8.320 1.00 12.40 N ATOM 360 CA LEU A 43 7.376 29.738 8.444 1.00 12.97 C ATOM 361 C LEU A 43 7.082 30.324 9.817 1.00 15.19 C ATOM 362 O LEU A 43 7.223 29.661 10.854 1.00 13.10 O ATOM 363 CB LEU A 43 6.106 29.055 7.937 1.00 13.96 C ATOM 364 CG LEU A 43 6.215 28.319 6.602 1.00 13.49 C ATOM 365 CD1 LEU A 43 4.894 27.640 6.291 1.00 14.82 C ATOM 366 CD2 LEU A 43 6.589 29.301 5.509 1.00 15.10 C ATOM 367 HA LEU A 43 7.694 30.595 7.851 1.00 0.00 H ATOM 368 HB2 LEU A 43 5.795 28.331 8.690 1.00 0.00 H ATOM 369 HB3 LEU A 43 5.337 29.820 7.832 1.00 0.00 H ATOM 370 HG LEU A 43 6.992 27.557 6.660 1.00 0.00 H ATOM 371 HD21 LEU A 43 5.822 30.072 5.437 1.00 0.00 H ATOM 372 HD22 LEU A 43 7.547 29.762 5.749 1.00 0.00 H ATOM 373 HD23 LEU A 43 6.666 28.773 4.559 1.00 0.00 H ATOM 374 HD11 LEU A 43 4.658 26.928 7.082 1.00 0.00 H ATOM 375 HD12 LEU A 43 4.106 28.391 6.230 1.00 0.00 H ATOM 376 HD13 LEU A 43 4.972 27.115 5.339 1.00 0.00 H ATOM 377 H LEU A 43 8.390 27.849 8.707 1.00 0.00 H ATOM 378 N LYS A 44 6.659 31.585 9.798 1.00 15.06 N ATOM 379 CA LYS A 44 6.239 32.302 10.996 1.00 14.16 C ATOM 380 C LYS A 44 4.727 32.303 10.825 1.00 14.92 C ATOM 381 O LYS A 44 4.210 32.827 9.837 1.00 17.56 O ATOM 382 CB LYS A 44 6.761 33.745 10.997 1.00 15.77 C ATOM 383 CG LYS A 44 6.060 34.668 12.009 1.00 13.16 C ATOM 384 CD LYS A 44 6.230 34.180 13.443 1.00 12.48 C ATOM 385 CE LYS A 44 5.637 35.160 14.458 1.00 16.70 C ATOM 386 NZ LYS A 44 4.172 35.371 14.266 1.00 15.13 N ATOM 387 HA LYS A 44 6.602 31.856 11.922 1.00 0.00 H ATOM 388 HB2 LYS A 44 7.825 33.724 11.233 1.00 0.00 H ATOM 389 HB3 LYS A 44 6.620 34.161 9.999 1.00 0.00 H ATOM 390 HG2 LYS A 44 6.484 35.669 11.925 1.00 0.00 H ATOM 391 HG3 LYS A 44 4.996 34.705 11.774 1.00 0.00 H ATOM 392 HD2 LYS A 44 5.729 33.218 13.549 1.00 0.00 H ATOM 393 HD3 LYS A 44 7.293 34.059 13.650 1.00 0.00 H ATOM 394 HE2 LYS A 44 6.144 36.119 14.355 1.00 0.00 H ATOM 395 HE3 LYS A 44 5.805 34.768 15.461 1.00 0.00 H ATOM 396 HZ1 LYS A 44 4.000 35.754 13.314 1.00 0.00 H ATOM 397 HZ2 LYS A 44 3.676 34.463 14.371 1.00 0.00 H ATOM 398 HZ3 LYS A 44 3.823 36.043 14.979 1.00 0.00 H ATOM 399 H LYS A 44 6.626 32.083 8.886 1.00 0.00 H ATOM 400 N TRP A 45 4.012 31.701 11.768 1.00 14.26 N ATOM 401 CA TRP A 45 2.563 31.634 11.659 1.00 14.43 C ATOM 402 C TRP A 45 1.893 32.878 12.223 1.00 15.50 C ATOM 403 O TRP A 45 2.272 33.371 13.285 1.00 17.76 O ATOM 404 CB TRP A 45 2.038 30.381 12.362 1.00 14.53 C ATOM 405 CG TRP A 45 2.691 29.119 11.881 1.00 15.98 C ATOM 406 CD1 TRP A 45 3.833 28.543 12.370 1.00 12.12 C ATOM 407 CD2 TRP A 45 2.255 28.290 10.796 1.00 15.38 C ATOM 408 NE1 TRP A 45 4.130 27.408 11.657 1.00 14.74 N ATOM 409 CE2 TRP A 45 3.179 27.228 10.683 1.00 14.26 C ATOM 410 CE3 TRP A 45 1.170 28.343 9.904 1.00 15.41 C ATOM 411 CZ2 TRP A 45 3.055 26.219 9.715 1.00 12.25 C ATOM 412 CZ3 TRP A 45 1.043 27.339 8.938 1.00 15.27 C ATOM 413 CH2 TRP A 45 1.986 26.292 8.853 1.00 16.93 C ATOM 414 HA TRP A 45 2.314 31.582 10.599 1.00 0.00 H ATOM 415 HB2 TRP A 45 2.221 30.481 13.432 1.00 0.00 H ATOM 416 HB3 TRP A 45 0.965 30.307 12.184 1.00 0.00 H ATOM 417 HE1 TRP A 45 4.945 26.784 11.827 1.00 0.00 H ATOM 418 HD1 TRP A 45 4.420 28.929 13.203 1.00 0.00 H ATOM 419 HZ2 TRP A 45 3.780 25.407 9.649 1.00 0.00 H ATOM 420 HH2 TRP A 45 1.864 25.525 8.088 1.00 0.00 H ATOM 421 HZ3 TRP A 45 0.205 27.366 8.242 1.00 0.00 H ATOM 422 HE3 TRP A 45 0.441 29.151 9.964 1.00 0.00 H ATOM 423 H TRP A 45 4.490 31.276 12.588 1.00 0.00 H ATOM 424 N LYS A 46 0.906 33.398 11.499 1.00 16.78 N ATOM 425 CA LYS A 46 0.204 34.599 11.946 1.00 18.41 C ATOM 426 C LYS A 46 -0.528 34.340 13.260 1.00 16.47 C ATOM 427 O LYS A 46 -1.242 33.348 13.401 1.00 16.91 O ATOM 428 CB LYS A 46 -0.798 35.066 10.887 1.00 21.20 C ATOM 429 CG LYS A 46 -1.481 36.385 11.237 1.00 26.43 C ATOM 430 CD LYS A 46 -2.555 36.760 10.221 1.00 32.48 C ATOM 431 CE LYS A 46 -3.741 35.806 10.283 1.00 34.83 C ATOM 432 NZ LYS A 46 -4.837 36.217 9.354 1.00 37.37 N ATOM 433 HA LYS A 46 0.948 35.380 12.102 1.00 0.00 H ATOM 434 HB2 LYS A 46 -0.269 35.191 9.942 1.00 0.00 H ATOM 435 HB3 LYS A 46 -1.564 34.299 10.774 1.00 0.00 H ATOM 436 HG2 LYS A 46 -1.943 36.292 12.220 1.00 0.00 H ATOM 437 HG3 LYS A 46 -0.730 37.174 11.263 1.00 0.00 H ATOM 438 HD2 LYS A 46 -2.903 37.772 10.430 1.00 0.00 H ATOM 439 HD3 LYS A 46 -2.124 36.725 9.220 1.00 0.00 H ATOM 440 HE2 LYS A 46 -4.129 35.792 11.301 1.00 0.00 H ATOM 441 HE3 LYS A 46 -3.404 34.806 10.010 1.00 0.00 H ATOM 442 HZ1 LYS A 46 -5.170 37.168 9.612 1.00 0.00 H ATOM 443 HZ2 LYS A 46 -4.477 36.227 8.378 1.00 0.00 H ATOM 444 HZ3 LYS A 46 -5.624 35.541 9.428 1.00 0.00 H ATOM 445 H LYS A 46 0.631 32.945 10.604 1.00 0.00 H ATOM 446 N GLY A 47 -0.334 35.234 14.222 1.00 17.46 N ATOM 447 CA GLY A 47 -0.985 35.086 15.510 1.00 18.07 C ATOM 448 C GLY A 47 -0.293 34.122 16.458 1.00 18.56 C ATOM 449 O GLY A 47 -0.774 33.910 17.567 1.00 18.49 O ATOM 450 HA3 GLY A 47 -2.000 34.727 15.340 1.00 0.00 H ATOM 451 HA2 GLY A 47 -1.023 36.065 15.987 1.00 0.00 H ATOM 452 H GLY A 47 0.290 36.048 14.051 1.00 0.00 H ATOM 453 N TYR A 48 0.821 33.524 16.032 1.00 19.03 N ATOM 454 CA TYR A 48 1.563 32.598 16.894 1.00 18.90 C ATOM 455 C TYR A 48 2.960 33.127 17.204 1.00 19.56 C ATOM 456 O TYR A 48 3.514 33.915 16.445 1.00 20.68 O ATOM 457 CB TYR A 48 1.697 31.213 16.248 1.00 18.04 C ATOM 458 CG TYR A 48 0.414 30.422 16.175 1.00 16.07 C ATOM 459 CD1 TYR A 48 -0.553 30.713 15.214 1.00 16.27 C ATOM 460 CD2 TYR A 48 0.158 29.385 17.079 1.00 16.67 C ATOM 461 CE1 TYR A 48 -1.748 29.994 15.152 1.00 17.43 C ATOM 462 CE2 TYR A 48 -1.035 28.658 17.026 1.00 15.99 C ATOM 463 CZ TYR A 48 -1.981 28.968 16.064 1.00 18.25 C ATOM 464 OH TYR A 48 -3.173 28.275 16.014 1.00 16.44 O ATOM 465 HA TYR A 48 0.992 32.512 17.819 1.00 0.00 H ATOM 466 HB3 TYR A 48 2.418 30.637 16.827 1.00 0.00 H ATOM 467 HB2 TYR A 48 2.071 31.347 15.233 1.00 0.00 H ATOM 468 HD2 TYR A 48 0.901 29.140 17.837 1.00 0.00 H ATOM 469 HE2 TYR A 48 -1.219 27.853 17.737 1.00 0.00 H ATOM 470 HE1 TYR A 48 -2.494 30.234 14.394 1.00 0.00 H ATOM 471 HD1 TYR A 48 -0.373 31.516 14.499 1.00 0.00 H ATOM 472 HH TYR A 48 -3.726 28.625 15.271 1.00 0.00 H ATOM 473 H TYR A 48 1.169 33.718 15.071 1.00 0.00 H ATOM 474 N PRO A 49 3.547 32.694 18.331 1.00 19.40 N ATOM 475 CA PRO A 49 4.886 33.132 18.734 1.00 20.13 C ATOM 476 C PRO A 49 5.967 32.547 17.830 1.00 20.39 C ATOM 477 O PRO A 49 5.752 31.527 17.159 1.00 19.10 O ATOM 478 CB PRO A 49 5.006 32.617 20.173 1.00 20.05 C ATOM 479 CG PRO A 49 3.575 32.479 20.618 1.00 21.31 C ATOM 480 CD PRO A 49 2.926 31.895 19.398 1.00 19.60 C ATOM 481 HA PRO A 49 5.021 34.211 18.659 1.00 0.00 H ATOM 482 HD3 PRO A 49 3.158 30.836 19.290 1.00 0.00 H ATOM 483 HD2 PRO A 49 1.844 32.028 19.419 1.00 0.00 H ATOM 484 HG3 PRO A 49 3.143 33.447 20.872 1.00 0.00 H ATOM 485 HG2 PRO A 49 3.488 31.808 21.473 1.00 0.00 H ATOM 486 HB2 PRO A 49 5.518 31.655 20.201 1.00 0.00 H ATOM 487 HB3 PRO A 49 5.542 33.331 20.799 1.00 0.00 H ATOM 488 N GLU A 50 7.125 33.201 17.813 1.00 20.70 N ATOM 489 CA GLU A 50 8.257 32.755 17.008 1.00 22.71 C ATOM 490 C GLU A 50 8.602 31.317 17.374 1.00 22.16 C ATOM 491 O GLU A 50 9.076 30.554 16.535 1.00 20.40 O ATOM 492 CB GLU A 50 9.487 33.635 17.270 1.00 27.58 C ATOM 493 CG GLU A 50 9.370 35.102 16.851 1.00 34.56 C ATOM 494 CD GLU A 50 9.361 35.298 15.344 1.00 37.69 C ATOM 495 OE1 GLU A 50 10.101 34.577 14.636 1.00 38.95 O ATOM 496 OE2 GLU A 50 8.627 36.193 14.864 1.00 41.47 O ATOM 497 HA GLU A 50 7.982 32.826 15.956 1.00 0.00 H ATOM 498 HB2 GLU A 50 9.692 33.610 18.340 1.00 0.00 H ATOM 499 HB3 GLU A 50 10.328 33.201 16.730 1.00 0.00 H ATOM 500 HG2 GLU A 50 8.443 35.506 17.258 1.00 0.00 H ATOM 501 HG3 GLU A 50 10.216 35.649 17.266 1.00 0.00 H ATOM 502 H GLU A 50 7.227 34.058 18.393 1.00 0.00 H ATOM 503 N THR A 51 8.374 30.958 18.634 1.00 21.85 N ATOM 504 CA THR A 51 8.673 29.613 19.109 1.00 22.63 C ATOM 505 C THR A 51 7.890 28.542 18.362 1.00 21.78 C ATOM 506 O THR A 51 8.225 27.365 18.439 1.00 22.25 O ATOM 507 CB THR A 51 8.379 29.466 20.622 1.00 25.83 C ATOM 508 OG1 THR A 51 7.031 29.875 20.895 1.00 25.98 O ATOM 509 CG2 THR A 51 9.344 30.314 21.438 1.00 26.50 C ATOM 510 HA THR A 51 9.737 29.467 18.921 1.00 0.00 H ATOM 511 HB THR A 51 8.508 28.420 20.902 1.00 0.00 H ATOM 512 HG1 THR A 51 6.848 29.779 21.863 1.00 0.00 H ATOM 513 HG23 THR A 51 10.367 30.001 21.229 1.00 0.00 H ATOM 514 HG21 THR A 51 9.221 31.363 21.168 1.00 0.00 H ATOM 515 HG22 THR A 51 9.133 30.183 22.499 1.00 0.00 H ATOM 516 H THR A 51 7.973 31.653 19.296 1.00 0.00 H ATOM 517 N GLU A 52 6.848 28.943 17.641 1.00 19.10 N ATOM 518 CA GLU A 52 6.047 27.978 16.890 1.00 18.09 C ATOM 519 C GLU A 52 6.465 27.901 15.416 1.00 17.59 C ATOM 520 O GLU A 52 5.836 27.200 14.623 1.00 16.50 O ATOM 521 CB GLU A 52 4.558 28.331 16.966 1.00 19.05 C ATOM 522 CG GLU A 52 3.902 28.135 18.328 1.00 19.04 C ATOM 523 CD GLU A 52 3.898 26.679 18.782 1.00 24.46 C ATOM 524 OE1 GLU A 52 4.004 25.774 17.924 1.00 20.99 O ATOM 525 OE2 GLU A 52 3.771 26.436 20.000 1.00 25.66 O ATOM 526 HA GLU A 52 6.222 27.005 17.350 1.00 0.00 H ATOM 527 HB2 GLU A 52 4.447 29.379 16.688 1.00 0.00 H ATOM 528 HB3 GLU A 52 4.028 27.707 16.246 1.00 0.00 H ATOM 529 HG2 GLU A 52 4.445 28.728 19.064 1.00 0.00 H ATOM 530 HG3 GLU A 52 2.871 28.485 18.271 1.00 0.00 H ATOM 531 H GLU A 52 6.600 29.953 17.611 1.00 0.00 H ATOM 532 N ASN A 53 7.506 28.635 15.039 1.00 16.48 N ATOM 533 CA ASN A 53 7.972 28.583 13.656 1.00 17.61 C ATOM 534 C ASN A 53 8.328 27.139 13.341 1.00 18.23 C ATOM 535 O ASN A 53 8.868 26.429 14.189 1.00 18.81 O ATOM 536 CB ASN A 53 9.209 29.464 13.457 1.00 16.03 C ATOM 537 CG ASN A 53 8.903 30.937 13.605 1.00 17.65 C ATOM 538 OD1 ASN A 53 7.748 31.328 13.763 1.00 16.87 O ATOM 539 ND2 ASN A 53 9.942 31.768 13.544 1.00 17.23 N ATOM 540 HA ASN A 53 7.188 28.951 12.994 1.00 0.00 H ATOM 541 HB2 ASN A 53 9.959 29.187 14.198 1.00 0.00 H ATOM 542 HB3 ASN A 53 9.606 29.288 12.457 1.00 0.00 H ATOM 543 HD22 ASN A 53 10.902 31.391 13.409 1.00 0.00 H ATOM 544 HD21 ASN A 53 9.793 32.794 13.631 1.00 0.00 H ATOM 545 H ASN A 53 7.989 29.246 15.728 1.00 0.00 H ATOM 546 N THR A 54 8.019 26.704 12.126 1.00 17.94 N ATOM 547 CA THR A 54 8.318 25.335 11.724 1.00 19.24 C ATOM 548 C THR A 54 8.693 25.254 10.254 1.00 18.70 C ATOM 549 O THR A 54 8.340 26.131 9.461 1.00 16.50 O ATOM 550 CB THR A 54 7.113 24.403 11.938 1.00 19.22 C ATOM 551 OG1 THR A 54 6.006 24.879 11.167 1.00 17.14 O ATOM 552 CG2 THR A 54 6.718 24.354 13.412 1.00 19.09 C ATOM 553 HA THR A 54 9.154 25.019 12.347 1.00 0.00 H ATOM 554 HB THR A 54 7.389 23.398 11.619 1.00 0.00 H ATOM 555 HG1 THR A 54 5.229 24.281 11.303 1.00 0.00 H ATOM 556 HG23 THR A 54 7.561 23.991 14.001 1.00 0.00 H ATOM 557 HG21 THR A 54 6.443 25.354 13.747 1.00 0.00 H ATOM 558 HG22 THR A 54 5.869 23.681 13.537 1.00 0.00 H ATOM 559 H THR A 54 7.558 27.348 11.452 1.00 0.00 H ATOM 560 N TRP A 55 9.418 24.197 9.908 1.00 17.23 N ATOM 561 CA TRP A 55 9.822 23.951 8.531 1.00 17.45 C ATOM 562 C TRP A 55 8.725 23.121 7.886 1.00 17.62 C ATOM 563 O TRP A 55 8.325 22.083 8.422 1.00 18.40 O ATOM 564 CB TRP A 55 11.139 23.164 8.470 1.00 18.17 C ATOM 565 CG TRP A 55 12.367 23.959 8.790 1.00 15.44 C ATOM 566 CD1 TRP A 55 13.043 23.991 9.980 1.00 17.30 C ATOM 567 CD2 TRP A 55 13.086 24.820 7.896 1.00 16.70 C ATOM 568 NE1 TRP A 55 14.143 24.817 9.878 1.00 16.19 N ATOM 569 CE2 TRP A 55 14.194 25.335 8.610 1.00 16.22 C ATOM 570 CE3 TRP A 55 12.903 25.202 6.558 1.00 16.44 C ATOM 571 CZ2 TRP A 55 15.116 26.220 8.029 1.00 18.14 C ATOM 572 CZ3 TRP A 55 13.822 26.084 5.979 1.00 17.21 C ATOM 573 CH2 TRP A 55 14.915 26.579 6.715 1.00 15.56 C ATOM 574 HA TRP A 55 9.973 24.900 8.017 1.00 0.00 H ATOM 575 HB2 TRP A 55 11.074 22.340 9.181 1.00 0.00 H ATOM 576 HB3 TRP A 55 11.248 22.764 7.462 1.00 0.00 H ATOM 577 HE1 TRP A 55 14.823 25.015 10.640 1.00 0.00 H ATOM 578 HD1 TRP A 55 12.754 23.444 10.877 1.00 0.00 H ATOM 579 HZ2 TRP A 55 15.961 26.609 8.598 1.00 0.00 H ATOM 580 HH2 TRP A 55 15.617 27.261 6.235 1.00 0.00 H ATOM 581 HZ3 TRP A 55 13.690 26.393 4.942 1.00 0.00 H ATOM 582 HE3 TRP A 55 12.061 24.819 5.981 1.00 0.00 H ATOM 583 H TRP A 55 9.707 23.522 10.645 1.00 0.00 H ATOM 584 N GLU A 56 8.240 23.576 6.736 1.00 16.67 N ATOM 585 CA GLU A 56 7.177 22.874 6.025 1.00 15.92 C ATOM 586 C GLU A 56 7.538 22.652 4.559 1.00 16.31 C ATOM 587 O GLU A 56 8.052 23.552 3.901 1.00 16.14 O ATOM 588 CB GLU A 56 5.873 23.684 6.082 1.00 15.84 C ATOM 589 CG GLU A 56 5.396 24.067 7.481 1.00 15.83 C ATOM 590 CD GLU A 56 4.995 22.865 8.322 1.00 20.21 C ATOM 591 OE1 GLU A 56 4.775 21.780 7.742 1.00 18.04 O ATOM 592 OE2 GLU A 56 4.890 23.016 9.560 1.00 15.91 O ATOM 593 HA GLU A 56 7.047 21.908 6.513 1.00 0.00 H ATOM 594 HB2 GLU A 56 6.023 24.603 5.515 1.00 0.00 H ATOM 595 HB3 GLU A 56 5.089 23.092 5.610 1.00 0.00 H ATOM 596 HG2 GLU A 56 6.202 24.595 7.991 1.00 0.00 H ATOM 597 HG3 GLU A 56 4.534 24.728 7.386 1.00 0.00 H ATOM 598 H GLU A 56 8.627 24.453 6.333 1.00 0.00 H ATOM 599 N PRO A 57 7.290 21.442 4.033 1.00 16.90 N ATOM 600 CA PRO A 57 7.600 21.173 2.625 1.00 17.26 C ATOM 601 C PRO A 57 6.741 22.121 1.789 1.00 17.51 C ATOM 602 O PRO A 57 5.621 22.448 2.179 1.00 16.98 O ATOM 603 CB PRO A 57 7.200 19.706 2.456 1.00 16.98 C ATOM 604 CG PRO A 57 6.063 19.567 3.421 1.00 16.94 C ATOM 605 CD PRO A 57 6.605 20.293 4.644 1.00 16.53 C ATOM 606 HA PRO A 57 8.636 21.328 2.322 1.00 0.00 H ATOM 607 HD3 PRO A 57 5.800 20.616 5.304 1.00 0.00 H ATOM 608 HD2 PRO A 57 7.301 19.666 5.202 1.00 0.00 H ATOM 609 HG3 PRO A 57 5.854 18.520 3.641 1.00 0.00 H ATOM 610 HG2 PRO A 57 5.160 20.045 3.043 1.00 0.00 H ATOM 611 HB2 PRO A 57 6.878 19.500 1.435 1.00 0.00 H ATOM 612 HB3 PRO A 57 8.023 19.040 2.717 1.00 0.00 H ATOM 613 N GLU A 58 7.270 22.564 0.655 1.00 18.86 N ATOM 614 CA GLU A 58 6.561 23.504 -0.203 1.00 20.06 C ATOM 615 C GLU A 58 5.154 23.072 -0.604 1.00 18.23 C ATOM 616 O GLU A 58 4.281 23.914 -0.788 1.00 16.51 O ATOM 617 CB GLU A 58 7.393 23.807 -1.461 1.00 22.81 C ATOM 618 CG GLU A 58 7.515 22.641 -2.438 1.00 28.74 C ATOM 619 CD GLU A 58 8.263 23.026 -3.706 1.00 31.92 C ATOM 620 OE1 GLU A 58 8.159 24.207 -4.116 1.00 31.58 O ATOM 621 OE2 GLU A 58 8.927 22.147 -4.300 1.00 31.14 O ATOM 622 HA GLU A 58 6.432 24.402 0.401 1.00 0.00 H ATOM 623 HB2 GLU A 58 6.927 24.642 -1.984 1.00 0.00 H ATOM 624 HB3 GLU A 58 8.396 24.092 -1.145 1.00 0.00 H ATOM 625 HG2 GLU A 58 8.050 21.827 -1.948 1.00 0.00 H ATOM 626 HG3 GLU A 58 6.514 22.305 -2.709 1.00 0.00 H ATOM 627 H GLU A 58 8.214 22.232 0.372 1.00 0.00 H ATOM 628 N ASN A 59 4.932 21.768 -0.732 1.00 18.66 N ATOM 629 CA ASN A 59 3.619 21.260 -1.116 1.00 19.45 C ATOM 630 C ASN A 59 2.559 21.582 -0.061 1.00 18.87 C ATOM 631 O ASN A 59 1.366 21.595 -0.359 1.00 21.06 O ATOM 632 CB ASN A 59 3.671 19.742 -1.340 1.00 22.23 C ATOM 633 CG ASN A 59 4.639 19.341 -2.442 1.00 21.42 C ATOM 634 OD1 ASN A 59 4.854 18.155 -2.691 1.00 21.80 O ATOM 635 ND2 ASN A 59 5.222 20.329 -3.109 1.00 21.80 N ATOM 636 HA ASN A 59 3.341 21.756 -2.046 1.00 0.00 H ATOM 637 HB2 ASN A 59 3.982 19.263 -0.412 1.00 0.00 H ATOM 638 HB3 ASN A 59 2.673 19.395 -1.609 1.00 0.00 H ATOM 639 HD22 ASN A 59 5.010 21.317 -2.864 1.00 0.00 H ATOM 640 HD21 ASN A 59 5.890 20.115 -3.876 1.00 0.00 H ATOM 641 H ASN A 59 5.708 21.098 -0.555 1.00 0.00 H ATOM 642 N ASN A 60 2.995 21.844 1.168 1.00 16.74 N ATOM 643 CA ASN A 60 2.079 22.171 2.267 1.00 14.26 C ATOM 644 C ASN A 60 1.581 23.610 2.218 1.00 14.80 C ATOM 645 O ASN A 60 0.589 23.958 2.864 1.00 13.38 O ATOM 646 CB ASN A 60 2.768 21.943 3.618 1.00 14.99 C ATOM 647 CG ASN A 60 2.617 20.524 4.120 1.00 17.87 C ATOM 648 OD1 ASN A 60 2.406 19.601 3.341 1.00 19.81 O ATOM 649 ND2 ASN A 60 2.736 20.344 5.435 1.00 16.66 N ATOM 650 HA ASN A 60 1.219 21.511 2.152 1.00 0.00 H ATOM 651 HB2 ASN A 60 3.830 22.163 3.509 1.00 0.00 H ATOM 652 HB3 ASN A 60 2.331 22.621 4.351 1.00 0.00 H ATOM 653 HD22 ASN A 60 2.915 21.158 6.057 1.00 0.00 H ATOM 654 HD21 ASN A 60 2.650 19.390 5.839 1.00 0.00 H ATOM 655 H ASN A 60 4.017 21.816 1.356 1.00 0.00 H ATOM 656 N LEU A 61 2.271 24.444 1.451 1.00 14.95 N ATOM 657 CA LEU A 61 1.909 25.851 1.356 1.00 17.10 C ATOM 658 C LEU A 61 0.950 26.258 0.257 1.00 17.51 C ATOM 659 O LEU A 61 0.985 25.739 -0.856 1.00 16.36 O ATOM 660 CB LEU A 61 3.159 26.721 1.182 1.00 15.76 C ATOM 661 CG LEU A 61 4.072 27.000 2.373 1.00 15.77 C ATOM 662 CD1 LEU A 61 4.729 25.711 2.834 1.00 14.97 C ATOM 663 CD2 LEU A 61 5.127 28.030 1.970 1.00 11.28 C ATOM 664 HA LEU A 61 1.385 26.009 2.298 1.00 0.00 H ATOM 665 HB2 LEU A 61 3.773 26.239 0.421 1.00 0.00 H ATOM 666 HB3 LEU A 61 2.819 27.689 0.813 1.00 0.00 H ATOM 667 HG LEU A 61 3.486 27.400 3.200 1.00 0.00 H ATOM 668 HD21 LEU A 61 5.717 27.639 1.141 1.00 0.00 H ATOM 669 HD22 LEU A 61 4.634 28.952 1.663 1.00 0.00 H ATOM 670 HD23 LEU A 61 5.780 28.231 2.819 1.00 0.00 H ATOM 671 HD11 LEU A 61 3.959 24.998 3.130 1.00 0.00 H ATOM 672 HD12 LEU A 61 5.319 25.293 2.018 1.00 0.00 H ATOM 673 HD13 LEU A 61 5.379 25.920 3.684 1.00 0.00 H ATOM 674 H LEU A 61 3.084 24.087 0.909 1.00 0.00 H ATOM 675 N ASP A 62 0.100 27.215 0.601 1.00 19.15 N ATOM 676 CA ASP A 62 -0.821 27.824 -0.341 1.00 18.07 C ATOM 677 C ASP A 62 -0.546 29.319 -0.139 1.00 17.22 C ATOM 678 O ASP A 62 -1.397 30.058 0.355 1.00 17.02 O ATOM 679 CB ASP A 62 -2.281 27.497 -0.008 1.00 20.03 C ATOM 680 CG ASP A 62 -3.250 27.957 -1.104 1.00 23.47 C ATOM 681 OD1 ASP A 62 -4.471 27.734 -0.959 1.00 21.97 O ATOM 682 OD2 ASP A 62 -2.792 28.542 -2.110 1.00 17.94 O ATOM 683 HA ASP A 62 -0.679 27.474 -1.363 1.00 0.00 H ATOM 684 HB2 ASP A 62 -2.379 26.418 0.115 1.00 0.00 H ATOM 685 HB3 ASP A 62 -2.547 27.994 0.925 1.00 0.00 H ATOM 686 H ASP A 62 0.093 27.543 1.588 1.00 0.00 H ATOM 687 N CYS A 63 0.674 29.737 -0.478 1.00 17.41 N ATOM 688 CA CYS A 63 1.103 31.139 -0.354 1.00 19.11 C ATOM 689 C CYS A 63 1.942 31.501 -1.563 1.00 18.57 C ATOM 690 O CYS A 63 3.112 31.857 -1.416 1.00 16.53 O ATOM 691 CB CYS A 63 2.003 31.360 0.868 1.00 22.00 C ATOM 692 SG CYS A 63 1.656 30.416 2.330 1.00 21.91 S ATOM 693 HA CYS A 63 0.201 31.744 -0.263 1.00 0.00 H ATOM 694 HB2 CYS A 63 1.934 32.414 1.137 1.00 0.00 H ATOM 695 HB3 CYS A 63 3.025 31.129 0.566 1.00 0.00 H ATOM 696 HG CYS A 63 0.377 30.698 2.765 1.00 0.00 H ATOM 697 H CYS A 63 1.353 29.041 -0.847 1.00 0.00 H ATOM 698 N GLN A 64 1.366 31.419 -2.754 1.00 20.49 N ATOM 699 CA GLN A 64 2.131 31.735 -3.954 1.00 23.66 C ATOM 700 C GLN A 64 2.733 33.139 -3.913 1.00 20.37 C ATOM 701 O GLN A 64 3.854 33.350 -4.365 1.00 19.41 O ATOM 702 CB GLN A 64 1.257 31.577 -5.201 1.00 27.53 C ATOM 703 CG GLN A 64 2.038 31.737 -6.493 1.00 33.32 C ATOM 704 CD GLN A 64 3.368 31.001 -6.456 1.00 33.46 C ATOM 705 OE1 GLN A 64 3.421 29.798 -6.205 1.00 36.66 O ATOM 706 NE2 GLN A 64 4.450 31.726 -6.710 1.00 35.27 N ATOM 707 HA GLN A 64 2.960 31.028 -3.996 1.00 0.00 H ATOM 708 HB2 GLN A 64 0.806 30.585 -5.187 1.00 0.00 H ATOM 709 HB3 GLN A 64 0.471 32.332 -5.173 1.00 0.00 H ATOM 710 HG2 GLN A 64 1.441 31.343 -7.315 1.00 0.00 H ATOM 711 HG3 GLN A 64 2.228 32.797 -6.660 1.00 0.00 H ATOM 712 HE22 GLN A 64 4.359 32.741 -6.918 1.00 0.00 H ATOM 713 HE21 GLN A 64 5.389 31.279 -6.702 1.00 0.00 H ATOM 714 H GLN A 64 0.370 31.130 -2.832 1.00 0.00 H ATOM 715 N ASP A 65 1.989 34.091 -3.363 1.00 21.12 N ATOM 716 CA ASP A 65 2.467 35.465 -3.265 1.00 21.43 C ATOM 717 C ASP A 65 3.738 35.544 -2.431 1.00 19.55 C ATOM 718 O ASP A 65 4.754 36.091 -2.872 1.00 18.25 O ATOM 719 CB ASP A 65 1.392 36.351 -2.641 1.00 28.10 C ATOM 720 CG ASP A 65 0.310 36.728 -3.626 1.00 32.53 C ATOM 721 OD1 ASP A 65 0.244 36.104 -4.708 1.00 37.21 O ATOM 722 OD2 ASP A 65 -0.479 37.644 -3.315 1.00 35.04 O ATOM 723 HA ASP A 65 2.690 35.816 -4.272 1.00 0.00 H ATOM 724 HB2 ASP A 65 0.936 35.815 -1.809 1.00 0.00 H ATOM 725 HB3 ASP A 65 1.861 37.263 -2.271 1.00 0.00 H ATOM 726 H ASP A 65 1.046 33.852 -2.995 1.00 0.00 H ATOM 727 N LEU A 66 3.679 34.999 -1.220 1.00 15.81 N ATOM 728 CA LEU A 66 4.833 35.012 -0.330 1.00 16.92 C ATOM 729 C LEU A 66 6.021 34.275 -0.942 1.00 16.37 C ATOM 730 O LEU A 66 7.143 34.776 -0.920 1.00 15.05 O ATOM 731 CB LEU A 66 4.470 34.380 1.018 1.00 14.54 C ATOM 732 CG LEU A 66 3.435 35.131 1.863 1.00 15.27 C ATOM 733 CD1 LEU A 66 3.216 34.369 3.165 1.00 15.02 C ATOM 734 CD2 LEU A 66 3.924 36.544 2.158 1.00 15.79 C ATOM 735 HA LEU A 66 5.121 36.052 -0.178 1.00 0.00 H ATOM 736 HB2 LEU A 66 4.078 33.382 0.822 1.00 0.00 H ATOM 737 HB3 LEU A 66 5.385 34.301 1.605 1.00 0.00 H ATOM 738 HG LEU A 66 2.495 35.200 1.316 1.00 0.00 H ATOM 739 HD21 LEU A 66 4.865 36.494 2.706 1.00 0.00 H ATOM 740 HD22 LEU A 66 4.076 37.078 1.220 1.00 0.00 H ATOM 741 HD23 LEU A 66 3.180 37.067 2.759 1.00 0.00 H ATOM 742 HD11 LEU A 66 2.853 33.366 2.941 1.00 0.00 H ATOM 743 HD12 LEU A 66 4.159 34.302 3.708 1.00 0.00 H ATOM 744 HD13 LEU A 66 2.481 34.896 3.773 1.00 0.00 H ATOM 745 H LEU A 66 2.794 34.555 -0.902 1.00 0.00 H ATOM 746 N ILE A 67 5.773 33.088 -1.489 1.00 15.89 N ATOM 747 CA ILE A 67 6.845 32.310 -2.100 1.00 17.23 C ATOM 748 C ILE A 67 7.456 33.118 -3.233 1.00 17.81 C ATOM 749 O ILE A 67 8.673 33.259 -3.329 1.00 16.49 O ATOM 750 CB ILE A 67 6.327 30.976 -2.669 1.00 19.50 C ATOM 751 CG1 ILE A 67 5.859 30.069 -1.525 1.00 17.22 C ATOM 752 CG2 ILE A 67 7.433 30.290 -3.475 1.00 21.20 C ATOM 753 CD1 ILE A 67 5.277 28.750 -1.983 1.00 19.62 C ATOM 754 HA ILE A 67 7.585 32.090 -1.330 1.00 0.00 H ATOM 755 HB ILE A 67 5.482 31.171 -3.330 1.00 0.00 H ATOM 756 HG12 ILE A 67 6.713 29.862 -0.881 1.00 0.00 H ATOM 757 HG13 ILE A 67 5.097 30.601 -0.956 1.00 0.00 H ATOM 758 HD11 ILE A 67 4.412 28.937 -2.620 1.00 0.00 H ATOM 759 HD12 ILE A 67 6.030 28.197 -2.544 1.00 0.00 H ATOM 760 HD13 ILE A 67 4.970 28.168 -1.114 1.00 0.00 H ATOM 761 HG21 ILE A 67 7.738 30.938 -4.297 1.00 0.00 H ATOM 762 HG22 ILE A 67 8.288 30.098 -2.826 1.00 0.00 H ATOM 763 HG23 ILE A 67 7.059 29.347 -3.874 1.00 0.00 H ATOM 764 H ILE A 67 4.804 32.710 -1.481 1.00 0.00 H ATOM 765 N GLN A 68 6.588 33.639 -4.090 1.00 19.10 N ATOM 766 CA GLN A 68 7.001 34.451 -5.224 1.00 22.83 C ATOM 767 C GLN A 68 7.863 35.618 -4.749 1.00 23.08 C ATOM 768 O GLN A 68 8.930 35.890 -5.305 1.00 24.75 O ATOM 769 CB GLN A 68 5.750 34.968 -5.943 1.00 26.46 C ATOM 770 CG GLN A 68 6.004 35.968 -7.046 1.00 31.85 C ATOM 771 CD GLN A 68 4.717 36.582 -7.555 1.00 31.16 C ATOM 772 OE1 GLN A 68 3.814 35.875 -8.005 1.00 33.03 O ATOM 773 NE2 GLN A 68 4.625 37.904 -7.490 1.00 33.13 N ATOM 774 HA GLN A 68 7.594 33.849 -5.912 1.00 0.00 H ATOM 775 HB2 GLN A 68 5.233 34.112 -6.377 1.00 0.00 H ATOM 776 HB3 GLN A 68 5.107 35.441 -5.201 1.00 0.00 H ATOM 777 HG2 GLN A 68 6.646 36.761 -6.663 1.00 0.00 H ATOM 778 HG3 GLN A 68 6.505 35.463 -7.872 1.00 0.00 H ATOM 779 HE22 GLN A 68 5.413 38.462 -7.102 1.00 0.00 H ATOM 780 HE21 GLN A 68 3.765 38.383 -7.827 1.00 0.00 H ATOM 781 H GLN A 68 5.574 33.460 -3.946 1.00 0.00 H ATOM 782 N GLN A 69 7.401 36.301 -3.708 1.00 22.25 N ATOM 783 CA GLN A 69 8.124 37.443 -3.160 1.00 22.58 C ATOM 784 C GLN A 69 9.450 37.019 -2.527 1.00 24.53 C ATOM 785 O GLN A 69 10.449 37.728 -2.643 1.00 25.22 O ATOM 786 CB GLN A 69 7.258 38.161 -2.121 1.00 20.00 C ATOM 787 CG GLN A 69 7.864 39.449 -1.565 1.00 19.94 C ATOM 788 CD GLN A 69 8.252 40.433 -2.664 1.00 18.48 C ATOM 789 OE1 GLN A 69 9.415 40.517 -3.065 1.00 18.54 O ATOM 790 NE2 GLN A 69 7.274 41.174 -3.159 1.00 16.62 N ATOM 791 HA GLN A 69 8.347 38.122 -3.983 1.00 0.00 H ATOM 792 HB2 GLN A 69 6.304 38.408 -2.586 1.00 0.00 H ATOM 793 HB3 GLN A 69 7.089 37.478 -1.289 1.00 0.00 H ATOM 794 HG2 GLN A 69 7.134 39.925 -0.911 1.00 0.00 H ATOM 795 HG3 GLN A 69 8.755 39.197 -0.990 1.00 0.00 H ATOM 796 HE22 GLN A 69 6.307 41.071 -2.792 1.00 0.00 H ATOM 797 HE21 GLN A 69 7.473 41.859 -3.916 1.00 0.00 H ATOM 798 H GLN A 69 6.501 36.014 -3.273 1.00 0.00 H ATOM 799 N TYR A 70 9.458 35.868 -1.859 1.00 24.60 N ATOM 800 CA TYR A 70 10.674 35.373 -1.224 1.00 24.81 C ATOM 801 C TYR A 70 11.760 35.078 -2.252 1.00 26.64 C ATOM 802 O TYR A 70 12.885 35.564 -2.129 1.00 26.94 O ATOM 803 CB TYR A 70 10.382 34.112 -0.405 1.00 23.88 C ATOM 804 CG TYR A 70 11.591 33.584 0.340 1.00 24.36 C ATOM 805 CD1 TYR A 70 12.505 32.733 -0.283 1.00 24.80 C ATOM 806 CD2 TYR A 70 11.840 33.964 1.659 1.00 24.40 C ATOM 807 CE1 TYR A 70 13.638 32.275 0.388 1.00 25.85 C ATOM 808 CE2 TYR A 70 12.972 33.513 2.339 1.00 24.88 C ATOM 809 CZ TYR A 70 13.864 32.668 1.696 1.00 25.93 C ATOM 810 OH TYR A 70 14.985 32.221 2.354 1.00 27.30 O ATOM 811 HA TYR A 70 11.035 36.157 -0.558 1.00 0.00 H ATOM 812 HB3 TYR A 70 10.026 33.335 -1.082 1.00 0.00 H ATOM 813 HB2 TYR A 70 9.603 34.344 0.321 1.00 0.00 H ATOM 814 HD2 TYR A 70 11.138 34.625 2.167 1.00 0.00 H ATOM 815 HE2 TYR A 70 13.154 33.823 3.368 1.00 0.00 H ATOM 816 HE1 TYR A 70 14.342 31.611 -0.114 1.00 0.00 H ATOM 817 HD1 TYR A 70 12.330 32.421 -1.313 1.00 0.00 H ATOM 818 HH TYR A 70 15.507 31.632 1.753 1.00 0.00 H ATOM 819 H TYR A 70 8.582 35.312 -1.789 1.00 0.00 H ATOM 820 N GLU A 71 11.423 34.287 -3.264 1.00 29.90 N ATOM 821 CA GLU A 71 12.382 33.938 -4.304 1.00 35.64 C ATOM 822 C GLU A 71 12.888 35.195 -5.007 1.00 37.95 C ATOM 823 O GLU A 71 14.040 35.257 -5.427 1.00 38.20 O ATOM 824 CB GLU A 71 11.742 33.007 -5.338 1.00 37.32 C ATOM 825 CG GLU A 71 11.260 31.662 -4.802 1.00 39.87 C ATOM 826 CD GLU A 71 12.356 30.860 -4.113 1.00 43.34 C ATOM 827 OE1 GLU A 71 13.515 30.894 -4.582 1.00 42.24 O ATOM 828 OE2 GLU A 71 12.051 30.178 -3.109 1.00 43.00 O ATOM 829 HA GLU A 71 13.219 33.426 -3.830 1.00 0.00 H ATOM 830 HB2 GLU A 71 10.885 33.523 -5.770 1.00 0.00 H ATOM 831 HB3 GLU A 71 12.479 32.814 -6.118 1.00 0.00 H ATOM 832 HG2 GLU A 71 10.460 31.842 -4.084 1.00 0.00 H ATOM 833 HG3 GLU A 71 10.874 31.075 -5.636 1.00 0.00 H ATOM 834 H GLU A 71 10.455 33.909 -3.315 1.00 0.00 H ATOM 835 N ALA A 72 12.021 36.196 -5.122 1.00 40.45 N ATOM 836 CA ALA A 72 12.372 37.449 -5.779 1.00 43.06 C ATOM 837 C ALA A 72 13.407 38.245 -4.991 1.00 44.38 C ATOM 838 O ALA A 72 14.461 38.597 -5.518 1.00 45.57 O ATOM 839 CB ALA A 72 11.116 38.294 -5.992 1.00 42.67 C ATOM 840 HA ALA A 72 12.818 37.199 -6.742 1.00 0.00 H ATOM 841 HB1 ALA A 72 10.412 37.745 -6.617 1.00 0.00 H ATOM 842 HB2 ALA A 72 10.657 38.509 -5.027 1.00 0.00 H ATOM 843 HB3 ALA A 72 11.387 39.228 -6.483 1.00 0.00 H ATOM 844 H ALA A 72 11.064 36.082 -4.732 1.00 0.00 H ATOM 845 N SER A 73 13.102 38.531 -3.729 1.00 45.87 N ATOM 846 CA SER A 73 14.005 39.297 -2.877 1.00 46.92 C ATOM 847 C SER A 73 15.164 38.439 -2.373 1.00 47.56 C ATOM 848 O SER A 73 16.087 38.944 -1.734 1.00 46.12 O ATOM 849 CB SER A 73 13.244 39.860 -1.677 1.00 47.05 C ATOM 850 OG SER A 73 12.883 38.825 -0.782 1.00 48.78 O ATOM 851 HA SER A 73 14.411 40.111 -3.478 1.00 0.00 H ATOM 852 HB2 SER A 73 12.342 40.360 -2.028 1.00 0.00 H ATOM 853 HB3 SER A 73 13.877 40.579 -1.157 1.00 0.00 H ATOM 854 HG SER A 73 12.305 38.172 -1.250 1.00 0.00 H ATOM 855 H SER A 73 12.196 38.200 -3.339 1.00 0.00 H ATOM 856 N ARG A 74 15.104 37.143 -2.654 1.00 49.91 N ATOM 857 CA ARG A 74 16.144 36.217 -2.224 1.00 53.02 C ATOM 858 C ARG A 74 17.503 36.650 -2.763 1.00 53.35 C ATOM 859 O ARG A 74 18.401 36.913 -1.937 1.00 54.77 O ATOM 860 CB ARG A 74 15.816 34.803 -2.711 1.00 54.68 C ATOM 861 CG ARG A 74 16.766 33.732 -2.211 1.00 58.08 C ATOM 862 CD ARG A 74 16.375 32.357 -2.731 1.00 59.47 C ATOM 863 NE ARG A 74 17.276 31.318 -2.243 1.00 62.19 N ATOM 864 CZ ARG A 74 17.196 30.035 -2.582 1.00 63.32 C ATOM 865 NH1 ARG A 74 16.251 29.625 -3.418 1.00 63.90 N ATOM 866 NH2 ARG A 74 18.062 29.161 -2.085 1.00 64.18 N ATOM 867 HA ARG A 74 16.185 36.222 -1.135 1.00 0.00 H ATOM 868 HB2 ARG A 74 14.810 34.551 -2.375 1.00 0.00 H ATOM 869 HB3 ARG A 74 15.844 34.802 -3.801 1.00 0.00 H ATOM 870 HG2 ARG A 74 17.775 33.966 -2.550 1.00 0.00 H ATOM 871 HG3 ARG A 74 16.744 33.719 -1.121 1.00 0.00 H ATOM 872 HD2 ARG A 74 16.407 32.369 -3.820 1.00 0.00 H ATOM 873 HD3 ARG A 74 15.361 32.129 -2.401 1.00 0.00 H ATOM 874 HE ARG A 74 18.031 31.600 -1.586 1.00 0.00 H ATOM 875 HH12 ARG A 74 16.190 28.621 -3.682 1.00 0.00 H ATOM 876 HH11 ARG A 74 15.571 30.308 -3.809 1.00 0.00 H ATOM 877 HH22 ARG A 74 17.999 28.158 -2.351 1.00 0.00 H ATOM 878 HH21 ARG A 74 18.804 29.479 -1.430 1.00 0.00 H ATOM 879 H ARG A 74 14.294 36.779 -3.195 1.00 0.00 H TER 880 ARG A 74 HETATM 881 O HOH 1 -2.085 35.882 18.748 1.00 16.43 O HETATM 882 O HOH 2 5.089 30.879 14.386 1.00 9.49 O HETATM 883 O HOH 3 1.735 27.956 -2.762 1.00 25.20 O HETATM 884 O HOH 4 5.122 21.187 11.238 1.00 28.65 O HETATM 885 O HOH 5 -1.746 31.164 11.826 1.00 15.75 O HETATM 886 O HOH 6 10.072 22.448 12.079 1.00 19.86 O HETATM 887 O HOH 7 7.105 35.601 19.216 1.00 30.93 O HETATM 888 O HOH 8 3.049 25.128 -2.822 1.00 20.61 O HETATM 889 O HOH 9 3.948 25.489 15.194 1.00 26.09 O HETATM 890 O HOH 10 2.848 36.871 16.445 1.00 24.35 O HETATM 891 O HOH 11 4.756 37.731 -4.950 1.00 30.23 O HETATM 892 O HOH 12 14.183 41.013 -7.073 1.00 33.73 O HETATM 893 O HOH 13 18.323 15.507 3.760 1.00 26.20 O HETATM 894 O HOH 14 5.960 40.275 9.772 1.00 23.37 O HETATM 895 O HOH 15 10.250 20.099 -3.319 1.00 32.76 O HETATM 896 O HOH 16 1.359 37.565 13.554 1.00 27.43 O HETATM 897 O HOH 17 -4.843 30.565 10.866 1.00 31.23 O HETATM 898 O HOH 18 16.548 34.088 4.236 1.00 49.09 O HETATM 899 O HOH 19 14.950 30.335 -6.726 1.00 43.97 O HETATM 900 O HOH 20 19.420 23.783 1.409 1.00 32.40 O HETATM 901 O HOH 21 -4.136 33.870 13.853 1.00 29.51 O HETATM 902 O HOH 22 15.462 21.342 11.859 1.00 40.65 O HETATM 903 O HOH 23 18.087 23.822 8.952 1.00 36.42 O HETATM 904 O HOH 24 11.067 17.182 3.152 1.00 65.36 O HETATM 905 O HOH 25 10.937 25.120 -5.651 1.00 55.69 O HETATM 906 O HOH 26 -0.842 34.535 -6.502 1.00 41.91 O HETATM 907 O HOH 27 8.956 26.767 -4.105 1.00 37.08 O HETATM 908 O HOH 28 -5.418 24.321 3.718 1.00 43.86 O HETATM 909 O HOH 29 -3.771 18.163 10.155 1.00 49.70 O HETATM 910 O HOH 30 -6.223 22.196 11.428 1.00 45.85 O HETATM 911 O HOH 31 -5.406 28.946 14.766 1.00 39.31 O HETATM 912 O HOH 32 -6.644 31.877 6.747 1.00 52.57 O HETATM 913 O HOH 33 16.982 31.314 0.549 1.00 41.87 O HETATM 914 O HOH 34 16.404 29.698 10.483 1.00 46.95 O HETATM 915 O HOH 35 18.857 24.965 6.772 1.00 38.55 O HETATM 916 O HOH 36 13.816 31.497 14.675 1.00 38.78 O HETATM 917 O HOH 37 18.503 27.268 5.588 1.00 41.57 O HETATM 918 O HOH 38 18.538 29.280 1.287 1.00 46.72 O HETATM 919 O HOH 39 16.571 26.082 11.717 1.00 58.95 O HETATM 920 O HOH 40 12.902 17.318 6.784 1.00 43.51 O HETATM 921 O HOH 41 11.503 12.490 7.747 1.00 46.45 O HETATM 922 O HOH 42 9.745 14.088 6.704 1.00 53.82 O HETATM 923 O HOH 43 9.482 19.439 7.510 1.00 50.93 O HETATM 924 O HOH 44 7.764 20.828 11.188 1.00 35.18 O HETATM 925 O HOH 45 10.071 14.858 2.325 1.00 49.99 O HETATM 926 O HOH 46 9.729 22.793 16.571 1.00 41.51 O HETATM 927 O HOH 47 8.225 25.154 16.623 1.00 33.89 O HETATM 928 O HOH 48 13.114 20.486 11.448 1.00 45.74 O HETATM 929 O HOH 49 5.921 24.862 20.996 1.00 44.64 O HETATM 930 O HOH 50 12.522 37.189 9.247 1.00 34.78 O HETATM 931 O HOH 51 19.177 25.902 -0.118 1.00 58.52 O HETATM 932 O HOH 52 19.863 32.117 -1.367 1.00 46.20 O HETATM 933 O HOH 53 -4.631 28.964 -4.106 1.00 37.76 O HETATM 934 O HOH 54 7.255 38.075 17.201 1.00 58.25 O HETATM 935 O HOH 55 8.202 34.107 20.935 1.00 37.31 O HETATM 936 O HOH 56 1.591 39.985 15.338 1.00 53.00 O HETATM 937 O HOH 57 17.257 37.903 -7.221 1.00 65.32 O HETATM 938 O HOH 58 21.131 38.283 -6.900 1.00 51.00 O HETATM 939 O HOH 59 7.380 31.968 -7.276 1.00 54.11 O HETATM 940 O HOH 60 9.705 34.997 -7.746 1.00 32.60 O HETATM 941 O HOH 61 8.915 28.193 -6.421 1.00 53.41 O HETATM 942 O HOH 62 1.615 27.778 -6.881 1.00 47.22 O HETATM 943 O HOH 63 4.809 23.780 -6.258 1.00 43.34 O HETATM 944 O HOH 64 20.515 29.860 -4.514 1.00 58.52 O HETATM 945 O HOH 65 21.070 26.854 -4.101 1.00 47.58 O HETATM 946 O HOH 66 1.989 37.379 -6.596 1.00 60.33 O HETATM 947 O HOH 67 19.964 32.283 7.590 1.00 62.74 O HETATM 948 O HOH 68 17.594 24.907 -4.727 1.00 55.76 O HETATM 949 O HOH 69 21.351 22.961 14.477 1.00 64.96 O HETATM 950 O HOH 70 -0.008 37.772 18.929 1.00 21.07 O HETATM 951 O HOH 71 -0.604 25.217 19.077 1.00 48.71 O HETATM 952 O HOH 72 -1.685 31.705 -6.676 1.00 56.32 O HETATM 953 O HOH 73 -2.422 38.412 14.832 1.00 48.22 O HETATM 954 O HOH 74 6.993 25.064 23.402 1.00 59.48 O HETATM 955 O HOH 75 -0.342 38.939 16.488 1.00 50.86 O HETATM 956 O HOH 76 -4.061 36.363 14.674 1.00 37.57 O HETATM 957 O HOH 77 -3.144 25.534 2.865 1.00 22.54 O HETATM 958 O HOH 78 2.570 15.545 12.699 1.00 52.98 O HETATM 959 O HOH 79 -6.325 33.224 3.260 1.00 41.15 O HETATM 960 O HOH 80 6.329 17.398 6.376 1.00 49.98 O HETATM 961 O HOH 81 -1.627 33.552 -1.249 1.00 51.47 O HETATM 962 O HOH 82 -0.330 11.528 14.184 1.00 61.54 O HETATM 963 O HOH 83 1.975 17.610 16.354 1.00 48.46 O HETATM 964 O HOH 84 -4.228 33.869 -2.551 1.00 50.98 O HETATM 965 O HOH 85 0.623 34.452 -0.246 1.00 23.92 O HETATM 966 O HOH 86 -3.296 36.047 -0.520 1.00 57.61 O HETATM 967 N GLN A 87 -0.293 33.300 2.301 1.00 0.24 N HETATM 968 CA GLN A 87 -1.714 33.046 2.668 1.00 0.07 C HETATM 969 CB GLN A 87 -2.498 32.590 1.440 1.00 0.02 C HETATM 970 CG GLN A 87 -3.997 32.646 1.617 1.00 0.04 C HETATM 971 CD GLN A 87 -4.749 32.364 0.327 1.00 0.17 C HETATM 972 NE2 GLN A 87 -5.475 33.366 -0.165 1.00 -0.30 N HETATM 973 H9 GLN A 87 -5.992 33.240 -1.012 1.00 0.18 H HETATM 974 H10 GLN A 87 -5.503 34.244 0.312 1.00 0.18 H HETATM 975 OE1 GLN A 87 -4.676 31.261 -0.225 1.00 -0.40 O HETATM 976 H7 GLN A 87 -4.272 33.650 1.973 1.00 0.05 H HETATM 977 H8 GLN A 87 -4.291 31.897 2.367 1.00 0.05 H HETATM 978 H5 GLN A 87 -2.214 31.552 1.214 1.00 0.04 H HETATM 979 H6 GLN A 87 -2.224 33.238 0.594 1.00 0.04 H HETATM 980 C GLN A 87 -1.831 32.006 3.781 1.00 0.23 C HETATM 981 O GLN A 87 -1.768 32.360 4.955 1.00 -0.39 O HETATM 982 N GLN A 87 -2.001 30.734 3.416 1.00 -0.26 N HETATM 983 CA GLN A 87 -2.125 29.662 4.406 1.00 0.16 C HETATM 984 CB GLN A 87 -3.558 29.078 4.452 1.00 0.09 C HETATM 985 CG2 GLN A 87 -4.590 30.189 4.542 1.00 -0.03 C HETATM 986 H15 GLN A 87 -5.598 29.751 4.573 1.00 0.03 H HETATM 987 H16 GLN A 87 -4.502 30.844 3.662 1.00 0.03 H HETATM 988 H17 GLN A 87 -4.417 30.777 5.455 1.00 0.03 H HETATM 989 OG1 GLN A 87 -3.799 28.306 3.266 1.00 -0.39 O HETATM 990 H14 GLN A 87 -3.155 27.610 3.206 1.00 0.21 H HETATM 991 H13 GLN A 87 -3.652 28.428 5.335 1.00 0.06 H HETATM 992 C GLN A 87 -1.181 28.500 4.115 1.00 0.21 C HETATM 993 O GLN A 87 -0.504 28.470 3.085 1.00 -0.39 O HETATM 994 N GLN A 87 -1.147 27.538 5.031 1.00 -0.26 N HETATM 995 CA GLN A 87 -0.300 26.367 4.868 1.00 0.13 C HETATM 996 CB GLN A 87 1.178 26.741 5.050 1.00 -0.02 C HETATM 997 H20 GLN A 87 1.802 25.844 4.923 1.00 0.03 H HETATM 998 H21 GLN A 87 1.330 27.154 6.058 1.00 0.03 H HETATM 999 H22 GLN A 87 1.461 27.493 4.299 1.00 0.03 H HETATM 1000 C GLN A 87 -0.678 25.270 5.845 1.00 0.20 C HETATM 1001 O GLN A 87 -1.214 25.534 6.921 1.00 -0.39 O HETATM 1002 N GLN A 87 -0.396 24.033 5.451 1.00 -0.26 N HETATM 1003 CA GLN A 87 -0.678 22.869 6.279 1.00 0.13 C HETATM 1004 CB GLN A 87 -0.790 21.628 5.386 1.00 -0.01 C HETATM 1005 CG GLN A 87 -1.189 20.344 6.090 1.00 -0.02 C HETATM 1006 CD GLN A 87 -1.064 19.156 5.132 1.00 0.06 C HETATM 1007 NE GLN A 87 -1.464 17.893 5.741 1.00 -0.27 N HETATM 1008 CZ GLN A 87 -2.724 17.540 5.982 1.00 0.29 C HETATM 1009 NH2 GLN A 87 -2.993 16.365 6.537 1.00 -0.28 N HETATM 1010 H34 GLN A 87 -2.225 15.726 6.787 1.00 0.26 H HETATM 1011 H35 GLN A 87 -3.970 16.092 6.718 1.00 0.26 H HETATM 1012 NH1 GLN A 87 -3.719 18.356 5.664 1.00 -0.28 N HETATM 1013 H32 GLN A 87 -4.693 18.078 5.852 1.00 0.26 H HETATM 1014 H33 GLN A 87 -3.518 19.268 5.229 1.00 0.26 H HETATM 1015 H31 GLN A 87 -0.721 17.229 6.002 1.00 0.26 H HETATM 1016 H29 GLN A 87 -0.016 19.074 4.809 1.00 0.07 H HETATM 1017 H30 GLN A 87 -1.704 19.342 4.257 1.00 0.07 H HETATM 1018 H27 GLN A 87 -2.231 20.426 6.433 1.00 0.03 H HETATM 1019 H28 GLN A 87 -0.529 20.184 6.956 1.00 0.03 H HETATM 1020 H25 GLN A 87 0.189 21.463 4.912 1.00 0.03 H HETATM 1021 H26 GLN A 87 -1.542 21.836 4.611 1.00 0.03 H HETATM 1022 C GLN A 87 0.492 22.715 7.248 1.00 0.20 C HETATM 1023 O GLN A 87 1.642 22.935 6.875 1.00 -0.39 O HETATM 1024 N GLN A 87 0.195 22.356 8.488 1.00 -0.26 N HETATM 1025 CA GLN A 87 1.226 22.167 9.496 1.00 0.13 C HETATM 1026 CB GLN A 87 0.777 22.768 10.829 1.00 -0.01 C HETATM 1027 CG GLN A 87 1.896 23.343 11.673 1.00 -0.04 C HETATM 1028 CD GLN A 87 1.396 23.719 13.058 1.00 -0.01 C HETATM 1029 CE GLN A 87 0.886 25.151 13.096 1.00 -0.03 C HETATM 1030 NZ GLN A 87 0.966 25.712 14.444 1.00 0.23 N HETATM 1031 CH1 GLN A 87 0.995 27.171 14.373 1.00 -0.04 C HETATM 1032 H47 GLN A 87 1.055 27.586 15.390 1.00 0.08 H HETATM 1033 H48 GLN A 87 0.079 27.533 13.883 1.00 0.08 H HETATM 1034 H49 GLN A 87 1.873 27.492 13.793 1.00 0.08 H HETATM 1035 CH2 GLN A 87 -0.169 25.223 15.230 1.00 -0.04 C HETATM 1036 H50 GLN A 87 -0.150 24.123 15.256 1.00 0.08 H HETATM 1037 H51 GLN A 87 -1.108 25.563 14.769 1.00 0.08 H HETATM 1038 H52 GLN A 87 -0.101 25.615 16.255 1.00 0.08 H HETATM 1039 H46 GLN A 87 1.818 25.398 14.881 1.00 0.20 H HETATM 1040 H44 GLN A 87 -0.163 25.166 12.764 1.00 0.08 H HETATM 1041 H45 GLN A 87 1.495 25.765 12.416 1.00 0.08 H HETATM 1042 H42 GLN A 87 2.222 23.614 13.777 1.00 0.03 H HETATM 1043 H43 GLN A 87 0.577 23.040 13.339 1.00 0.03 H HETATM 1044 H40 GLN A 87 2.295 24.241 11.178 1.00 0.03 H HETATM 1045 H41 GLN A 87 2.695 22.593 11.770 1.00 0.03 H HETATM 1046 H38 GLN A 87 0.280 21.978 11.411 1.00 0.03 H HETATM 1047 H39 GLN A 87 0.059 23.574 10.617 1.00 0.03 H HETATM 1048 C GLN A 87 1.495 20.677 9.652 1.00 0.20 C HETATM 1049 O GLN A 87 0.668 19.949 10.201 1.00 -0.39 O HETATM 1050 N GLN A 87 2.641 20.220 9.158 1.00 -0.26 N HETATM 1051 CA GLN A 87 2.981 18.804 9.243 1.00 0.14 C HETATM 1052 CB GLN A 87 4.227 18.508 8.404 1.00 0.08 C HETATM 1053 OG GLN A 87 5.351 19.231 8.879 1.00 -0.39 O HETATM 1054 H58 GLN A 87 5.169 20.162 8.834 1.00 0.21 H HETATM 1055 H56 GLN A 87 4.032 18.794 7.360 1.00 0.06 H HETATM 1056 H57 GLN A 87 4.446 17.431 8.455 1.00 0.06 H HETATM 1057 C GLN A 87 3.217 18.368 10.685 1.00 0.13 C HETATM 1058 O GLN A 87 3.151 19.233 11.583 1.00 -0.37 O HETATM 1059 H55 GLN A 87 3.437 17.329 10.925 1.00 0.14 H HETATM 1060 H54 GLN A 87 2.139 18.223 8.839 1.00 0.08 H HETATM 1061 H53 GLN A 87 3.279 20.855 8.722 1.00 0.19 H HETATM 1062 H37 GLN A 87 2.149 22.669 9.170 1.00 0.08 H HETATM 1063 H36 GLN A 87 -0.763 22.211 8.737 1.00 0.19 H HETATM 1064 H24 GLN A 87 -1.616 23.013 6.835 1.00 0.08 H HETATM 1065 H23 GLN A 87 0.025 23.896 4.554 1.00 0.19 H HETATM 1066 H19 GLN A 87 -0.439 25.983 3.847 1.00 0.08 H HETATM 1067 H18 GLN A 87 -1.716 27.621 5.849 1.00 0.19 H HETATM 1068 H12 GLN A 87 -1.879 30.082 5.392 1.00 0.08 H HETATM 1069 H11 GLN A 87 -2.045 30.507 2.443 1.00 0.19 H HETATM 1070 H4 GLN A 87 -2.150 33.989 3.031 1.00 0.11 H HETATM 1071 H1 GLN A 87 -0.254 33.989 1.566 1.00 0.20 H HETATM 1072 H2 GLN A 87 0.130 32.443 1.981 1.00 0.20 H HETATM 1073 H3 GLN A 87 0.207 33.640 3.108 1.00 0.20 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 967 968 1071 1072 1073 CONECT 968 967 969 980 1070 CONECT 969 968 970 978 979 CONECT 970 969 971 976 977 CONECT 971 970 972 975 CONECT 972 971 973 974 CONECT 973 972 CONECT 974 972 CONECT 975 971 CONECT 976 970 CONECT 977 970 CONECT 978 969 CONECT 979 969 CONECT 980 968 981 982 CONECT 981 980 CONECT 982 980 983 1069 CONECT 983 982 984 992 1068 CONECT 984 983 985 989 991 CONECT 985 984 986 987 988 CONECT 986 985 CONECT 987 985 CONECT 988 985 CONECT 989 984 990 CONECT 990 989 CONECT 991 984 CONECT 992 983 993 994 CONECT 993 992 CONECT 994 992 995 1067 CONECT 995 994 996 1000 1066 CONECT 996 995 997 998 999 CONECT 997 996 CONECT 998 996 CONECT 999 996 CONECT 1000 995 1001 1002 CONECT 1001 1000 CONECT 1002 1000 1003 1065 CONECT 1003 1002 1004 1022 1064 CONECT 1004 1003 1005 1020 1021 CONECT 1005 1004 1006 1018 1019 CONECT 1006 1005 1007 1016 1017 CONECT 1007 1006 1008 1015 CONECT 1008 1007 1009 1012 CONECT 1009 1008 1010 1011 CONECT 1010 1009 CONECT 1011 1009 CONECT 1012 1008 1013 1014 CONECT 1013 1012 CONECT 1014 1012 CONECT 1015 1007 CONECT 1016 1006 CONECT 1017 1006 CONECT 1018 1005 CONECT 1019 1005 CONECT 1020 1004 CONECT 1021 1004 CONECT 1022 1003 1023 1024 CONECT 1023 1022 CONECT 1024 1022 1025 1063 CONECT 1025 1024 1026 1048 1062 CONECT 1026 1025 1027 1046 1047 CONECT 1027 1026 1028 1044 1045 CONECT 1028 1027 1029 1042 1043 CONECT 1029 1028 1030 1040 1041 CONECT 1030 1029 1031 1035 1039 CONECT 1031 1030 1032 1033 1034 CONECT 1032 1031 CONECT 1033 1031 CONECT 1034 1031 CONECT 1035 1030 1036 1037 1038 CONECT 1036 1035 CONECT 1037 1035 CONECT 1038 1035 CONECT 1039 1030 CONECT 1040 1029 CONECT 1041 1029 CONECT 1042 1028 CONECT 1043 1028 CONECT 1044 1027 CONECT 1045 1027 CONECT 1046 1026 CONECT 1047 1026 CONECT 1048 1025 1049 1050 CONECT 1049 1048 CONECT 1050 1048 1051 1061 CONECT 1051 1050 1052 1057 1060 CONECT 1052 1051 1053 1055 1056 CONECT 1053 1052 1054 CONECT 1054 1053 CONECT 1055 1052 CONECT 1056 1052 CONECT 1057 1051 1058 1059 CONECT 1058 1057 CONECT 1059 1057 CONECT 1060 1051 CONECT 1061 1050 CONECT 1062 1025 CONECT 1063 1024 CONECT 1064 1003 CONECT 1065 1002 CONECT 1066 995 CONECT 1067 994 CONECT 1068 983 CONECT 1069 982 CONECT 1070 968 CONECT 1071 967 CONECT 1072 967 CONECT 1073 967 MASTER 0 0 0 0 0 0 0 0 1072 1 111 4 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1kna
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1kne
RCSB PDB
PDBbind
69aa, >1KNE_1|Chain... at 100%
6asz
RCSB PDB
PDBbind
69aa, >6ASZ_1|Chain... at 98%
6at0
RCSB PDB
PDBbind
69aa, >6AT0_1|Chain... at 98%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
1kna
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
heterochromatin protein 1
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=7uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
Science v295 pp. 2080-3, 2002
Ligand Properties
Formula
C
2
9
H
5
8
N
1
1
O
9
Molecular Weight
704.839
Exact Mass
704.442
No. of atoms
107
No. of bonds
106
Polar Surface Area
344.21
LOGP Value
-3.23 (
Computed with XLOGP3
)
-5.62 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 10
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 20
No. of Rings: 0
Canonical SMILES
OC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@H](CCC(=O)N)[NH3+])C)CCC[NH+]=C(N)N)CCCC[NH+](C)C)C=O
InChI String
InChI=1S/C29H55N11O9/c1-16(35-28(49)23(17(2)43)39-25(46)19(30)10-11-22(31)44)24(45)37-21(9-7-12-34-29(32)33)27(48)38-20(8-5-6-13-40(3)4)26(47)36-18(14-41)15-42/h14,16-21,23,42-43H,5-13,15,30H2,1-4H3,(H2,31,44)(H,35,49)(H,36,47)(H,37,45)(H,38,48)(H,39,46)(H4,32,33,34)/p+3/t16-,17+,18+,19-,20-,21-,23-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P05205
P02299
Entrez Gene ID
NCBI Entrez Gene ID:
34119
318847
3771723
3771729
3771771
3771792
3771959
3772032
3772149
3772163
3772173
3772189
3772191
3772198
3772231
3772370
3772374
3772421
3772489
3772517
3772518
3772552
3772607
3772619
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com