Browse entries in the PDBbind-CN Database
HEADER 2XOG_COMPLEX COMPND 2XOG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 16 GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET ASP SEQRES 2 A 16 SER SER THR SEQRES 1 A 105 ALA SER SER SER ASN TYR CYS ASN GLN MET MET LYS SER SEQRES 2 A 105 ARG ASN LEU THR LYS ASP ARG CYS LYS PRO VAL ASN THR SEQRES 3 A 105 PHE VAL HIS GLU SER LEU ALA ASP VAL GLN ALA VAL CYS SEQRES 4 A 105 SER GLN LYS ASN VAL ALA CYS LYS ASN GLY GLN THR ASN SEQRES 5 A 105 CYS TYR GLN SER TYR SER THR MET SER ILE THR ASP CYS SEQRES 6 A 105 ARG GLU THR GLY SER SER LYS TYR PRO ASN CYS ALA TYR SEQRES 7 A 105 LYS THR THR GLN ALA ASN LYS HIS ILE ILE VAL ALA CYS SEQRES 8 A 105 GLU GLY ASN PRO TYR VAL PRO VAL HIS PHE ASP ALA SER SEQRES 9 A 105 VAL HET SFB A 264 66 SSBOND 1 CYS A 65 CYS A 72 SSBOND 2 CYS A 26 CYS A 84 SSBOND 3 CYS A 40 CYS A 95 SSBOND 4 CYS A 58 CYS A 110 ATOM 1 N GLU A 2 36.201 19.310 9.985 1.00 20.82 N ATOM 2 CA GLU A 2 35.224 18.190 10.126 1.00 20.47 C ATOM 3 C GLU A 2 35.034 17.794 11.590 1.00 20.24 C ATOM 4 O GLU A 2 36.004 17.459 12.281 1.00 20.39 O ATOM 5 CB GLU A 2 35.683 16.977 9.309 1.00 20.60 C ATOM 6 CG GLU A 2 34.655 15.854 9.217 1.00 20.63 C ATOM 7 CD GLU A 2 35.155 14.652 8.432 1.00 20.13 C ATOM 8 OE1 GLU A 2 36.264 14.156 8.726 1.00 20.26 O ATOM 9 OE2 GLU A 2 34.426 14.195 7.527 1.00 21.12 O ATOM 10 HA GLU A 2 34.264 18.537 9.744 1.00 0.00 H ATOM 11 HB2 GLU A 2 35.912 17.314 8.298 1.00 0.00 H ATOM 12 HB3 GLU A 2 36.586 16.576 9.771 1.00 0.00 H ATOM 13 HG2 GLU A 2 34.404 15.529 10.227 1.00 0.00 H ATOM 14 HG3 GLU A 2 33.761 16.241 8.728 1.00 0.00 H ATOM 15 HN3 GLU A 2 37.122 19.016 10.369 1.00 0.00 H ATOM 16 HN2 GLU A 2 35.854 20.139 10.509 1.00 0.00 H ATOM 17 HN1 GLU A 2 36.305 19.553 8.979 1.00 0.00 H ATOM 18 N THR A 3 33.785 17.826 12.052 1.00 19.88 N ATOM 19 CA THR A 3 33.455 17.373 13.410 1.00 19.62 C ATOM 20 C THR A 3 33.545 15.849 13.501 1.00 19.11 C ATOM 21 O THR A 3 33.491 15.152 12.481 1.00 18.83 O ATOM 22 CB THR A 3 32.046 17.835 13.887 1.00 19.67 C ATOM 23 OG1 THR A 3 31.020 17.123 13.177 1.00 19.73 O ATOM 24 CG2 THR A 3 31.856 19.348 13.715 1.00 20.22 C ATOM 25 HA THR A 3 34.189 17.836 14.070 1.00 0.00 H ATOM 26 HB THR A 3 31.968 17.609 14.951 1.00 0.00 H ATOM 27 HG1 THR A 3 30.132 17.427 13.491 1.00 0.00 H ATOM 28 HG23 THR A 3 32.640 19.875 14.258 1.00 0.00 H ATOM 29 HG21 THR A 3 31.912 19.602 12.656 1.00 0.00 H ATOM 30 HG22 THR A 3 30.882 19.638 14.109 1.00 0.00 H ATOM 31 H THR A 3 33.025 18.180 11.437 1.00 0.00 H ATOM 32 N ALA A 4 33.685 15.345 14.727 1.00 18.54 N ATOM 33 CA ALA A 4 33.779 13.906 14.986 1.00 17.85 C ATOM 34 C ALA A 4 32.517 13.162 14.551 1.00 17.28 C ATOM 35 O ALA A 4 32.600 12.055 14.016 1.00 17.19 O ATOM 36 CB ALA A 4 34.069 13.651 16.458 1.00 17.78 C ATOM 37 HA ALA A 4 34.605 13.519 14.389 1.00 0.00 H ATOM 38 HB1 ALA A 4 35.013 14.124 16.728 1.00 0.00 H ATOM 39 HB2 ALA A 4 33.265 14.070 17.063 1.00 0.00 H ATOM 40 HB3 ALA A 4 34.136 12.577 16.633 1.00 0.00 H ATOM 41 H ALA A 4 33.729 16.000 15.533 1.00 0.00 H ATOM 42 N ALA A 5 31.358 13.779 14.780 1.00 16.58 N ATOM 43 CA ALA A 5 30.077 13.228 14.333 1.00 15.71 C ATOM 44 C ALA A 5 30.014 13.140 12.807 1.00 15.40 C ATOM 45 O ALA A 5 29.569 12.132 12.255 1.00 14.96 O ATOM 46 CB ALA A 5 28.926 14.064 14.866 1.00 15.87 C ATOM 47 HA ALA A 5 29.989 12.217 14.730 1.00 0.00 H ATOM 48 HB1 ALA A 5 28.952 14.064 15.956 1.00 0.00 H ATOM 49 HB2 ALA A 5 29.021 15.086 14.499 1.00 0.00 H ATOM 50 HB3 ALA A 5 27.982 13.640 14.524 1.00 0.00 H ATOM 51 H ALA A 5 31.364 14.683 15.294 1.00 0.00 H ATOM 52 N ALA A 6 30.465 14.204 12.140 1.00 14.80 N ATOM 53 CA ALA A 6 30.512 14.261 10.676 1.00 14.45 C ATOM 54 C ALA A 6 31.439 13.198 10.096 1.00 14.14 C ATOM 55 O ALA A 6 31.116 12.574 9.081 1.00 13.96 O ATOM 56 CB ALA A 6 30.942 15.655 10.211 1.00 14.55 C ATOM 57 HA ALA A 6 29.507 14.056 10.307 1.00 0.00 H ATOM 58 HB1 ALA A 6 30.227 16.394 10.573 1.00 0.00 H ATOM 59 HB2 ALA A 6 31.932 15.880 10.608 1.00 0.00 H ATOM 60 HB3 ALA A 6 30.972 15.680 9.122 1.00 0.00 H ATOM 61 H ALA A 6 30.797 15.027 12.682 1.00 0.00 H ATOM 62 N LYS A 7 32.583 12.997 10.751 1.00 13.86 N ATOM 63 CA LYS A 7 33.561 11.990 10.344 1.00 13.58 C ATOM 64 C LYS A 7 32.961 10.587 10.411 1.00 12.96 C ATOM 65 O LYS A 7 33.150 9.785 9.496 1.00 12.71 O ATOM 66 CB LYS A 7 34.820 12.078 11.209 1.00 14.03 C ATOM 67 CG LYS A 7 35.894 11.060 10.853 1.00 15.61 C ATOM 68 CD LYS A 7 37.160 11.302 11.648 1.00 18.29 C ATOM 69 CE LYS A 7 38.294 10.444 11.129 1.00 19.96 C ATOM 70 NZ LYS A 7 39.597 10.787 11.765 1.00 21.10 N ATOM 71 HA LYS A 7 33.840 12.191 9.309 1.00 0.00 H ATOM 72 HB2 LYS A 7 35.244 13.076 11.096 1.00 0.00 H ATOM 73 HB3 LYS A 7 34.532 11.922 12.249 1.00 0.00 H ATOM 74 HG2 LYS A 7 35.522 10.059 11.071 1.00 0.00 H ATOM 75 HG3 LYS A 7 36.121 11.138 9.790 1.00 0.00 H ATOM 76 HD2 LYS A 7 37.439 12.352 11.565 1.00 0.00 H ATOM 77 HD3 LYS A 7 36.977 11.058 12.694 1.00 0.00 H ATOM 78 HE2 LYS A 7 38.380 10.589 10.052 1.00 0.00 H ATOM 79 HE3 LYS A 7 38.067 9.398 11.336 1.00 0.00 H ATOM 80 HZ1 LYS A 7 39.827 11.782 11.567 1.00 0.00 H ATOM 81 HZ2 LYS A 7 39.528 10.644 12.793 1.00 0.00 H ATOM 82 HZ3 LYS A 7 40.342 10.174 11.378 1.00 0.00 H ATOM 83 H LYS A 7 32.788 13.581 11.587 1.00 0.00 H ATOM 84 N PHE A 8 32.231 10.302 11.489 1.00 11.92 N ATOM 85 CA PHE A 8 31.536 9.023 11.623 1.00 11.17 C ATOM 86 C PHE A 8 30.544 8.806 10.480 1.00 11.11 C ATOM 87 O PHE A 8 30.471 7.716 9.923 1.00 10.96 O ATOM 88 CB PHE A 8 30.812 8.917 12.973 1.00 11.06 C ATOM 89 CG PHE A 8 30.084 7.612 13.162 1.00 10.16 C ATOM 90 CD1 PHE A 8 28.761 7.469 12.745 1.00 9.44 C ATOM 91 CD2 PHE A 8 30.730 6.519 13.738 1.00 9.40 C ATOM 92 CE1 PHE A 8 28.088 6.258 12.900 1.00 8.95 C ATOM 93 CE2 PHE A 8 30.064 5.303 13.900 1.00 8.94 C ATOM 94 CZ PHE A 8 28.743 5.172 13.482 1.00 9.14 C ATOM 95 HA PHE A 8 32.295 8.242 11.576 1.00 0.00 H ATOM 96 HB2 PHE A 8 31.549 9.020 13.769 1.00 0.00 H ATOM 97 HB3 PHE A 8 30.089 9.729 13.042 1.00 0.00 H ATOM 98 HD2 PHE A 8 31.765 6.615 14.065 1.00 0.00 H ATOM 99 HE2 PHE A 8 30.579 4.456 14.354 1.00 0.00 H ATOM 100 HZ PHE A 8 28.221 4.223 13.609 1.00 0.00 H ATOM 101 HE1 PHE A 8 27.054 6.160 12.568 1.00 0.00 H ATOM 102 HD1 PHE A 8 28.246 8.316 12.292 1.00 0.00 H ATOM 103 H PHE A 8 32.154 11.005 12.252 1.00 0.00 H ATOM 104 N GLU A 9 29.781 9.845 10.142 1.00 11.27 N ATOM 105 CA GLU A 9 28.801 9.751 9.059 1.00 11.25 C ATOM 106 C GLU A 9 29.474 9.494 7.707 1.00 11.29 C ATOM 107 O GLU A 9 28.970 8.709 6.899 1.00 10.93 O ATOM 108 CB GLU A 9 27.907 10.993 9.015 1.00 11.59 C ATOM 109 CG GLU A 9 26.940 11.077 10.197 1.00 12.05 C ATOM 110 CD GLU A 9 25.833 12.102 10.006 1.00 13.23 C ATOM 111 OE1 GLU A 9 25.250 12.169 8.899 1.00 14.13 O ATOM 112 OE2 GLU A 9 25.531 12.826 10.979 1.00 13.91 O ATOM 113 HA GLU A 9 28.164 8.892 9.267 1.00 0.00 H ATOM 114 HB2 GLU A 9 28.542 11.879 9.022 1.00 0.00 H ATOM 115 HB3 GLU A 9 27.327 10.971 8.092 1.00 0.00 H ATOM 116 HG2 GLU A 9 26.483 10.098 10.339 1.00 0.00 H ATOM 117 HG3 GLU A 9 27.507 11.344 11.089 1.00 0.00 H ATOM 118 H GLU A 9 29.884 10.742 10.659 1.00 0.00 H ATOM 119 N ARG A 10 30.618 10.140 7.481 1.00 11.47 N ATOM 120 CA ARG A 10 31.373 9.954 6.239 1.00 11.79 C ATOM 121 C ARG A 10 32.010 8.562 6.164 1.00 11.70 C ATOM 122 O ARG A 10 31.995 7.925 5.110 1.00 11.60 O ATOM 123 CB ARG A 10 32.441 11.044 6.071 1.00 11.99 C ATOM 124 CG ARG A 10 33.332 10.852 4.831 1.00 12.95 C ATOM 125 CD ARG A 10 34.333 11.989 4.639 1.00 14.74 C ATOM 126 NE ARG A 10 35.195 12.208 5.801 1.00 15.63 N ATOM 127 CZ ARG A 10 36.300 11.516 6.074 1.00 16.57 C ATOM 128 NH1 ARG A 10 36.699 10.529 5.279 1.00 16.10 N ATOM 129 NH2 ARG A 10 37.008 11.809 7.157 1.00 17.54 N ATOM 130 HA ARG A 10 30.662 10.039 5.417 1.00 0.00 H ATOM 131 HB2 ARG A 10 31.939 12.008 5.988 1.00 0.00 H ATOM 132 HB3 ARG A 10 33.077 11.042 6.956 1.00 0.00 H ATOM 133 HG2 ARG A 10 33.883 9.918 4.939 1.00 0.00 H ATOM 134 HG3 ARG A 10 32.694 10.797 3.949 1.00 0.00 H ATOM 135 HD2 ARG A 10 33.780 12.907 4.441 1.00 0.00 H ATOM 136 HD3 ARG A 10 34.963 11.754 3.781 1.00 0.00 H ATOM 137 HE ARG A 10 34.924 12.962 6.465 1.00 0.00 H ATOM 138 HH12 ARG A 10 37.564 9.997 5.504 1.00 0.00 H ATOM 139 HH11 ARG A 10 36.147 10.288 4.431 1.00 0.00 H ATOM 140 HH22 ARG A 10 37.872 11.272 7.375 1.00 0.00 H ATOM 141 HH21 ARG A 10 36.700 12.576 7.788 1.00 0.00 H ATOM 142 H ARG A 10 30.984 10.792 8.204 1.00 0.00 H ATOM 143 N GLN A 11 32.568 8.099 7.281 1.00 11.80 N ATOM 144 CA GLN A 11 33.278 6.817 7.309 1.00 12.13 C ATOM 145 C GLN A 11 32.365 5.593 7.376 1.00 11.79 C ATOM 146 O GLN A 11 32.692 4.543 6.813 1.00 11.85 O ATOM 147 CB GLN A 11 34.265 6.763 8.482 1.00 12.43 C ATOM 148 CG GLN A 11 35.442 7.720 8.365 1.00 14.79 C ATOM 149 CD GLN A 11 36.596 7.381 9.301 1.00 18.18 C ATOM 150 OE1 GLN A 11 37.702 7.890 9.133 1.00 19.94 O ATOM 151 NE2 GLN A 11 36.346 6.519 10.289 1.00 18.53 N ATOM 152 HA GLN A 11 33.807 6.770 6.357 1.00 0.00 H ATOM 153 HB2 GLN A 11 33.721 7.003 9.396 1.00 0.00 H ATOM 154 HB3 GLN A 11 34.657 5.748 8.550 1.00 0.00 H ATOM 155 HG2 GLN A 11 35.810 7.692 7.339 1.00 0.00 H ATOM 156 HG3 GLN A 11 35.093 8.726 8.597 1.00 0.00 H ATOM 157 HE22 GLN A 11 35.395 6.111 10.395 1.00 0.00 H ATOM 158 HE21 GLN A 11 37.102 6.255 10.953 1.00 0.00 H ATOM 159 H GLN A 11 32.498 8.660 8.154 1.00 0.00 H ATOM 160 N HIS A 12 31.231 5.720 8.062 1.00 11.46 N ATOM 161 CA HIS A 12 30.475 4.535 8.480 1.00 11.20 C ATOM 162 C HIS A 12 28.986 4.480 8.110 1.00 11.28 C ATOM 163 O HIS A 12 28.343 3.451 8.322 1.00 10.98 O ATOM 164 CB HIS A 12 30.660 4.297 9.990 1.00 10.83 C ATOM 165 CG HIS A 12 32.089 4.111 10.402 1.00 10.75 C ATOM 166 ND1 HIS A 12 32.834 3.015 10.027 1.00 9.75 N ATOM 167 CD2 HIS A 12 32.906 4.881 11.157 1.00 9.45 C ATOM 168 CE1 HIS A 12 34.051 3.118 10.533 1.00 10.07 C ATOM 169 NE2 HIS A 12 34.121 4.244 11.221 1.00 10.29 N ATOM 170 HA HIS A 12 30.910 3.730 7.888 1.00 0.00 H ATOM 171 HB2 HIS A 12 30.257 5.156 10.526 1.00 0.00 H ATOM 172 HB3 HIS A 12 30.103 3.403 10.268 1.00 0.00 H ATOM 173 HD2 HIS A 12 32.648 5.830 11.627 1.00 0.00 H ATOM 174 HE1 HIS A 12 34.859 2.397 10.405 1.00 0.00 H ATOM 175 H HIS A 12 30.878 6.668 8.304 1.00 0.00 H ATOM 176 N MET A 13 28.439 5.562 7.554 1.00 11.57 N ATOM 177 CA MET A 13 27.014 5.587 7.209 1.00 12.31 C ATOM 178 C MET A 13 26.757 5.551 5.704 1.00 12.54 C ATOM 179 O MET A 13 27.275 6.384 4.957 1.00 12.45 O ATOM 180 CB MET A 13 26.310 6.807 7.820 1.00 12.15 C ATOM 181 CG MET A 13 26.171 6.802 9.348 1.00 12.25 C ATOM 182 SD MET A 13 25.238 5.421 10.057 1.00 12.56 S ATOM 183 CE MET A 13 23.685 5.544 9.168 1.00 11.73 C ATOM 184 HA MET A 13 26.597 4.675 7.635 1.00 0.00 H ATOM 185 HB2 MET A 13 26.875 7.695 7.538 1.00 0.00 H ATOM 186 HB3 MET A 13 25.309 6.864 7.393 1.00 0.00 H ATOM 187 HG2 MET A 13 25.673 7.726 9.641 1.00 0.00 H ATOM 188 HG3 MET A 13 27.174 6.781 9.774 1.00 0.00 H ATOM 189 HE1 MET A 13 23.232 6.516 9.363 1.00 0.00 H ATOM 190 HE2 MET A 13 23.870 5.436 8.099 1.00 0.00 H ATOM 191 HE3 MET A 13 23.012 4.754 9.503 1.00 0.00 H ATOM 192 H MET A 13 29.029 6.397 7.363 1.00 0.00 H ATOM 193 N ASP A 14 25.951 4.582 5.277 1.00 13.25 N ATOM 194 CA ASP A 14 25.441 4.529 3.907 1.00 13.87 C ATOM 195 C ASP A 14 24.012 3.996 3.930 1.00 14.31 C ATOM 196 O ASP A 14 23.754 2.845 3.566 1.00 13.84 O ATOM 197 CB ASP A 14 26.331 3.667 3.005 1.00 14.09 C ATOM 198 CG ASP A 14 25.907 3.717 1.538 1.00 14.69 C ATOM 199 OD1 ASP A 14 25.242 4.696 1.136 1.00 15.50 O ATOM 200 OD2 ASP A 14 26.248 2.779 0.783 1.00 16.06 O ATOM 201 HA ASP A 14 25.450 5.536 3.490 1.00 0.00 H ATOM 202 HB2 ASP A 14 27.358 4.024 3.084 1.00 0.00 H ATOM 203 HB3 ASP A 14 26.279 2.634 3.348 1.00 0.00 H ATOM 204 H ASP A 14 25.673 3.833 5.943 1.00 0.00 H ATOM 205 N SER A 15 23.090 4.846 4.371 1.00 15.36 N ATOM 206 CA SER A 15 21.700 4.451 4.578 1.00 16.64 C ATOM 207 C SER A 15 21.028 4.038 3.269 1.00 18.01 C ATOM 208 O SER A 15 21.050 4.783 2.290 1.00 18.37 O ATOM 209 CB SER A 15 20.926 5.580 5.259 1.00 16.71 C ATOM 210 OG SER A 15 21.481 5.872 6.531 1.00 16.07 O ATOM 211 HA SER A 15 21.693 3.578 5.231 1.00 0.00 H ATOM 212 HB2 SER A 15 19.886 5.277 5.383 1.00 0.00 H ATOM 213 HB3 SER A 15 20.971 6.473 4.635 1.00 0.00 H ATOM 214 HG SER A 15 21.438 5.064 7.102 1.00 0.00 H ATOM 215 H SER A 15 23.369 5.827 4.576 1.00 0.00 H ATOM 216 N SER A 16 20.459 2.832 3.263 1.00 19.49 N ATOM 217 CA SER A 16 19.806 2.262 2.084 1.00 21.18 C ATOM 218 C SER A 16 18.851 1.150 2.490 1.00 21.97 C ATOM 219 O SER A 16 19.221 0.255 3.251 1.00 22.39 O ATOM 220 CB SER A 16 20.843 1.700 1.102 1.00 21.16 C ATOM 221 OG SER A 16 21.558 2.734 0.446 1.00 22.95 O ATOM 222 HA SER A 16 19.248 3.061 1.595 1.00 0.00 H ATOM 223 HB2 SER A 16 20.330 1.095 0.354 1.00 0.00 H ATOM 224 HB3 SER A 16 21.548 1.076 1.651 1.00 0.00 H ATOM 225 HG SER A 16 22.216 2.335 -0.177 1.00 0.00 H ATOM 226 H SER A 16 20.480 2.270 4.138 1.00 0.00 H ATOM 227 N THR A 17 17.630 1.202 1.967 1.00 23.17 N ATOM 228 CA THR A 17 16.625 0.178 2.252 1.00 24.04 C ATOM 229 C THR A 17 16.352 -0.684 1.019 1.00 24.28 C ATOM 230 O THR A 17 17.277 -1.223 0.408 1.00 24.70 O ATOM 231 CB THR A 17 15.307 0.796 2.790 1.00 24.17 C ATOM 232 OG1 THR A 17 14.456 -0.239 3.300 1.00 25.25 O ATOM 233 CG2 THR A 17 14.573 1.577 1.698 1.00 24.48 C ATOM 234 HA THR A 17 17.033 -0.461 3.035 1.00 0.00 H ATOM 235 HB THR A 17 15.562 1.489 3.591 1.00 0.00 H ATOM 236 HG1 THR A 17 13.618 0.163 3.641 1.00 0.00 H ATOM 237 HG23 THR A 17 15.225 2.362 1.314 1.00 0.00 H ATOM 238 HG21 THR A 17 14.302 0.900 0.888 1.00 0.00 H ATOM 239 HG22 THR A 17 13.671 2.024 2.116 1.00 0.00 H ATOM 240 H THR A 17 17.382 1.992 1.338 1.00 0.00 H TER 241 THR A 17 ATOM 242 N ALA A 20 22.694 -6.058 -1.240 1.00 21.19 N ATOM 243 CA ALA A 20 22.685 -4.925 -2.159 1.00 20.83 C ATOM 244 C ALA A 20 24.075 -4.669 -2.741 1.00 20.53 C ATOM 245 O ALA A 20 24.244 -4.619 -3.965 1.00 20.91 O ATOM 246 CB ALA A 20 22.161 -3.678 -1.454 1.00 20.83 C ATOM 247 HA ALA A 20 22.019 -5.168 -2.987 1.00 0.00 H ATOM 248 HB1 ALA A 20 21.146 -3.861 -1.102 1.00 0.00 H ATOM 249 HB2 ALA A 20 22.804 -3.445 -0.606 1.00 0.00 H ATOM 250 HB3 ALA A 20 22.160 -2.841 -2.152 1.00 0.00 H ATOM 251 HN3 ALA A 20 23.350 -5.862 -0.457 1.00 0.00 H ATOM 252 HN2 ALA A 20 23.003 -6.912 -1.747 1.00 0.00 H ATOM 253 HN1 ALA A 20 21.736 -6.205 -0.863 1.00 0.00 H ATOM 254 N SER A 21 25.057 -4.534 -1.849 1.00 19.88 N ATOM 255 CA SER A 21 26.435 -4.172 -2.188 1.00 19.20 C ATOM 256 C SER A 21 27.095 -5.153 -3.154 1.00 18.83 C ATOM 257 O SER A 21 27.257 -6.338 -2.845 1.00 18.79 O ATOM 258 CB SER A 21 27.277 -4.063 -0.912 1.00 19.27 C ATOM 259 OG SER A 21 26.615 -3.293 0.076 1.00 19.23 O ATOM 260 HA SER A 21 26.387 -3.209 -2.696 1.00 0.00 H ATOM 261 HB2 SER A 21 28.229 -3.589 -1.153 1.00 0.00 H ATOM 262 HB3 SER A 21 27.460 -5.064 -0.520 1.00 0.00 H ATOM 263 HG SER A 21 27.182 -3.240 0.886 1.00 0.00 H ATOM 264 H SER A 21 24.829 -4.696 -0.847 1.00 0.00 H ATOM 265 N SER A 22 27.480 -4.645 -4.322 1.00 18.19 N ATOM 266 CA SER A 22 28.140 -5.460 -5.340 1.00 17.76 C ATOM 267 C SER A 22 29.575 -5.792 -4.936 1.00 17.55 C ATOM 268 O SER A 22 30.085 -5.271 -3.941 1.00 17.21 O ATOM 269 CB SER A 22 28.130 -4.740 -6.692 1.00 17.65 C ATOM 270 OG SER A 22 29.120 -3.725 -6.742 1.00 17.96 O ATOM 271 HA SER A 22 27.585 -6.394 -5.430 1.00 0.00 H ATOM 272 HB2 SER A 22 27.150 -4.289 -6.847 1.00 0.00 H ATOM 273 HB3 SER A 22 28.324 -5.465 -7.482 1.00 0.00 H ATOM 274 HG SER A 22 29.089 -3.279 -7.625 1.00 0.00 H ATOM 275 H SER A 22 27.306 -3.638 -4.516 1.00 0.00 H ATOM 276 N SER A 23 30.224 -6.647 -5.721 1.00 17.22 N ATOM 277 CA SER A 23 31.627 -6.995 -5.494 1.00 17.22 C ATOM 278 C SER A 23 32.547 -5.782 -5.672 1.00 17.09 C ATOM 279 O SER A 23 33.687 -5.784 -5.201 1.00 17.34 O ATOM 280 CB SER A 23 32.050 -8.150 -6.408 1.00 17.27 C ATOM 281 OG SER A 23 31.650 -7.915 -7.746 1.00 17.26 O ATOM 282 HA SER A 23 31.725 -7.323 -4.459 1.00 0.00 H ATOM 283 HB2 SER A 23 31.587 -9.072 -6.055 1.00 0.00 H ATOM 284 HB3 SER A 23 33.135 -8.253 -6.373 1.00 0.00 H ATOM 285 HG SER A 23 32.071 -7.081 -8.073 1.00 0.00 H ATOM 286 H SER A 23 29.719 -7.081 -6.520 1.00 0.00 H ATOM 287 N ASN A 24 32.031 -4.750 -6.339 1.00 17.02 N ATOM 288 CA ASN A 24 32.756 -3.500 -6.577 1.00 17.09 C ATOM 289 C ASN A 24 32.520 -2.433 -5.507 1.00 16.48 C ATOM 290 O ASN A 24 33.198 -1.405 -5.502 1.00 16.26 O ATOM 291 CB ASN A 24 32.364 -2.905 -7.937 1.00 17.53 C ATOM 292 CG ASN A 24 32.598 -3.861 -9.092 1.00 18.87 C ATOM 293 OD1 ASN A 24 33.580 -4.605 -9.118 1.00 21.02 O ATOM 294 ND2 ASN A 24 31.692 -3.836 -10.065 1.00 20.71 N ATOM 295 HA ASN A 24 33.812 -3.770 -6.549 1.00 0.00 H ATOM 296 HB2 ASN A 24 31.306 -2.644 -7.910 1.00 0.00 H ATOM 297 HB3 ASN A 24 32.955 -2.005 -8.106 1.00 0.00 H ATOM 298 HD22 ASN A 24 30.878 -3.192 -10.001 1.00 0.00 H ATOM 299 HD21 ASN A 24 31.797 -4.461 -10.890 1.00 0.00 H ATOM 300 H ASN A 24 31.063 -4.837 -6.710 1.00 0.00 H ATOM 301 N TYR A 25 31.557 -2.677 -4.617 1.00 16.02 N ATOM 302 CA TYR A 25 31.083 -1.660 -3.669 1.00 15.47 C ATOM 303 C TYR A 25 32.201 -0.995 -2.858 1.00 15.31 C ATOM 304 O TYR A 25 32.331 0.231 -2.871 1.00 15.11 O ATOM 305 CB TYR A 25 30.007 -2.246 -2.743 1.00 15.32 C ATOM 306 CG TYR A 25 29.531 -1.316 -1.641 1.00 14.96 C ATOM 307 CD1 TYR A 25 28.473 -0.432 -1.852 1.00 14.62 C ATOM 308 CD2 TYR A 25 30.136 -1.334 -0.381 1.00 14.88 C ATOM 309 CE1 TYR A 25 28.029 0.418 -0.830 1.00 14.59 C ATOM 310 CE2 TYR A 25 29.707 -0.487 0.639 1.00 14.64 C ATOM 311 CZ TYR A 25 28.655 0.381 0.410 1.00 14.56 C ATOM 312 OH TYR A 25 28.235 1.214 1.425 1.00 14.37 O ATOM 313 HA TYR A 25 30.647 -0.865 -4.273 1.00 0.00 H ATOM 314 HB3 TYR A 25 30.414 -3.143 -2.276 1.00 0.00 H ATOM 315 HB2 TYR A 25 29.145 -2.515 -3.354 1.00 0.00 H ATOM 316 HD2 TYR A 25 30.959 -2.024 -0.193 1.00 0.00 H ATOM 317 HE2 TYR A 25 30.198 -0.508 1.612 1.00 0.00 H ATOM 318 HE1 TYR A 25 27.199 1.103 -1.006 1.00 0.00 H ATOM 319 HD1 TYR A 25 27.984 -0.402 -2.826 1.00 0.00 H ATOM 320 HH TYR A 25 27.480 1.768 1.104 1.00 0.00 H ATOM 321 H TYR A 25 31.125 -3.623 -4.593 1.00 0.00 H ATOM 322 N CYS A 26 32.997 -1.801 -2.160 1.00 15.15 N ATOM 323 CA CYS A 26 34.064 -1.273 -1.304 1.00 15.22 C ATOM 324 C CYS A 26 35.139 -0.515 -2.077 1.00 15.62 C ATOM 325 O CYS A 26 35.597 0.541 -1.634 1.00 15.12 O ATOM 326 CB CYS A 26 34.689 -2.387 -0.463 1.00 14.97 C ATOM 327 SG CYS A 26 33.600 -3.002 0.834 1.00 14.07 S ATOM 328 HA CYS A 26 33.591 -0.548 -0.642 1.00 0.00 H ATOM 329 HB2 CYS A 26 35.597 -2.002 0.002 1.00 0.00 H ATOM 330 HB3 CYS A 26 34.944 -3.217 -1.123 1.00 0.00 H ATOM 331 H CYS A 26 32.859 -2.830 -2.223 1.00 0.00 H ATOM 332 N ASN A 27 35.538 -1.043 -3.233 1.00 16.08 N ATOM 333 CA ASN A 27 36.515 -0.357 -4.079 1.00 17.00 C ATOM 334 C ASN A 27 36.100 1.078 -4.410 1.00 17.37 C ATOM 335 O ASN A 27 36.923 1.991 -4.380 1.00 17.65 O ATOM 336 CB ASN A 27 36.773 -1.151 -5.363 1.00 17.13 C ATOM 337 CG ASN A 27 37.569 -2.420 -5.120 1.00 17.88 C ATOM 338 OD1 ASN A 27 38.354 -2.511 -4.173 1.00 18.81 O ATOM 339 ND2 ASN A 27 37.376 -3.409 -5.987 1.00 19.30 N ATOM 340 HA ASN A 27 37.441 -0.298 -3.507 1.00 0.00 H ATOM 341 HB2 ASN A 27 35.814 -1.421 -5.805 1.00 0.00 H ATOM 342 HB3 ASN A 27 37.327 -0.520 -6.058 1.00 0.00 H ATOM 343 HD22 ASN A 27 36.704 -3.289 -6.771 1.00 0.00 H ATOM 344 HD21 ASN A 27 37.897 -4.303 -5.881 1.00 0.00 H ATOM 345 H ASN A 27 35.149 -1.958 -3.539 1.00 0.00 H ATOM 346 N GLN A 28 34.815 1.265 -4.699 1.00 17.78 N ATOM 347 CA GLN A 28 34.268 2.572 -5.052 1.00 18.33 C ATOM 348 C GLN A 28 33.987 3.448 -3.828 1.00 18.16 C ATOM 349 O GLN A 28 34.280 4.644 -3.839 1.00 18.09 O ATOM 350 CB GLN A 28 32.998 2.404 -5.890 1.00 18.70 C ATOM 351 CG GLN A 28 33.222 1.628 -7.182 1.00 20.51 C ATOM 352 CD GLN A 28 31.944 1.353 -7.953 1.00 22.83 C ATOM 353 OE1 GLN A 28 31.977 1.162 -9.170 1.00 25.03 O ATOM 354 NE2 GLN A 28 30.814 1.323 -7.253 1.00 23.87 N ATOM 355 HA GLN A 28 35.028 3.087 -5.640 1.00 0.00 H ATOM 356 HB2 GLN A 28 32.257 1.873 -5.292 1.00 0.00 H ATOM 357 HB3 GLN A 28 32.617 3.394 -6.143 1.00 0.00 H ATOM 358 HG2 GLN A 28 33.892 2.205 -7.819 1.00 0.00 H ATOM 359 HG3 GLN A 28 33.688 0.674 -6.935 1.00 0.00 H ATOM 360 HE22 GLN A 28 30.833 1.490 -6.227 1.00 0.00 H ATOM 361 HE21 GLN A 28 29.911 1.133 -7.732 1.00 0.00 H ATOM 362 H GLN A 28 34.174 0.447 -4.672 1.00 0.00 H ATOM 363 N MET A 29 33.428 2.846 -2.780 1.00 18.00 N ATOM 364 CA MET A 29 33.031 3.584 -1.574 1.00 17.92 C ATOM 365 C MET A 29 34.199 4.064 -0.721 1.00 17.83 C ATOM 366 O MET A 29 34.165 5.175 -0.185 1.00 17.54 O ATOM 367 CB MET A 29 32.074 2.751 -0.719 1.00 18.17 C ATOM 368 CG MET A 29 30.645 2.775 -1.216 1.00 18.92 C ATOM 369 SD MET A 29 29.856 4.381 -0.994 1.00 21.55 S ATOM 370 CE MET A 29 29.517 4.377 0.763 1.00 20.81 C ATOM 371 HA MET A 29 32.528 4.480 -1.938 1.00 0.00 H ATOM 372 HB2 MET A 29 32.422 1.718 -0.718 1.00 0.00 H ATOM 373 HB3 MET A 29 32.092 3.140 0.299 1.00 0.00 H ATOM 374 HG2 MET A 29 30.073 2.027 -0.668 1.00 0.00 H ATOM 375 HG3 MET A 29 30.641 2.528 -2.278 1.00 0.00 H ATOM 376 HE1 MET A 29 28.863 3.539 1.004 1.00 0.00 H ATOM 377 HE2 MET A 29 30.453 4.278 1.312 1.00 0.00 H ATOM 378 HE3 MET A 29 29.029 5.312 1.040 1.00 0.00 H ATOM 379 H MET A 29 33.267 1.819 -2.817 1.00 0.00 H ATOM 380 N MET A 30 35.226 3.225 -0.585 1.00 17.69 N ATOM 381 CA MET A 30 36.424 3.604 0.164 1.00 17.83 C ATOM 382 C MET A 30 37.105 4.812 -0.483 1.00 18.18 C ATOM 383 O MET A 30 37.657 5.667 0.210 1.00 18.16 O ATOM 384 CB MET A 30 37.399 2.427 0.284 1.00 17.57 C ATOM 385 CG MET A 30 36.885 1.254 1.123 1.00 17.09 C ATOM 386 SD MET A 30 36.610 1.660 2.865 1.00 15.45 S ATOM 387 CE MET A 30 38.297 1.770 3.463 1.00 16.71 C ATOM 388 HA MET A 30 36.116 3.883 1.172 1.00 0.00 H ATOM 389 HB2 MET A 30 37.613 2.059 -0.720 1.00 0.00 H ATOM 390 HB3 MET A 30 38.319 2.793 0.739 1.00 0.00 H ATOM 391 HG2 MET A 30 37.617 0.448 1.070 1.00 0.00 H ATOM 392 HG3 MET A 30 35.941 0.915 0.697 1.00 0.00 H ATOM 393 HE1 MET A 30 38.797 0.813 3.313 1.00 0.00 H ATOM 394 HE2 MET A 30 38.826 2.548 2.913 1.00 0.00 H ATOM 395 HE3 MET A 30 38.289 2.015 4.525 1.00 0.00 H ATOM 396 H MET A 30 35.174 2.282 -1.020 1.00 0.00 H ATOM 397 N LYS A 31 37.033 4.883 -1.811 1.00 18.69 N ATOM 398 CA LYS A 31 37.569 6.017 -2.563 1.00 19.19 C ATOM 399 C LYS A 31 36.696 7.270 -2.427 1.00 19.24 C ATOM 400 O LYS A 31 37.197 8.342 -2.074 1.00 19.33 O ATOM 401 CB LYS A 31 37.759 5.647 -4.039 1.00 19.47 C ATOM 402 CG LYS A 31 38.345 6.766 -4.898 1.00 20.44 C ATOM 403 CD LYS A 31 38.214 6.446 -6.379 1.00 22.54 C ATOM 404 CE LYS A 31 38.578 7.643 -7.245 1.00 23.49 C ATOM 405 NZ LYS A 31 38.243 7.410 -8.679 1.00 24.65 N ATOM 406 HA LYS A 31 38.541 6.256 -2.132 1.00 0.00 H ATOM 407 HB2 LYS A 31 38.429 4.789 -4.092 1.00 0.00 H ATOM 408 HB3 LYS A 31 36.787 5.374 -4.450 1.00 0.00 H ATOM 409 HG2 LYS A 31 37.813 7.694 -4.686 1.00 0.00 H ATOM 410 HG3 LYS A 31 39.400 6.889 -4.652 1.00 0.00 H ATOM 411 HD2 LYS A 31 38.879 5.618 -6.622 1.00 0.00 H ATOM 412 HD3 LYS A 31 37.184 6.157 -6.589 1.00 0.00 H ATOM 413 HE2 LYS A 31 39.648 7.830 -7.158 1.00 0.00 H ATOM 414 HE3 LYS A 31 38.029 8.515 -6.891 1.00 0.00 H ATOM 415 HZ1 LYS A 31 38.769 6.583 -9.026 1.00 0.00 H ATOM 416 HZ2 LYS A 31 37.222 7.237 -8.772 1.00 0.00 H ATOM 417 HZ3 LYS A 31 38.506 8.248 -9.236 1.00 0.00 H ATOM 418 H LYS A 31 36.580 4.105 -2.331 1.00 0.00 H ATOM 419 N SER A 32 35.397 7.129 -2.702 1.00 19.32 N ATOM 420 CA SER A 32 34.471 8.269 -2.717 1.00 19.39 C ATOM 421 C SER A 32 34.296 8.938 -1.351 1.00 19.47 C ATOM 422 O SER A 32 34.035 10.142 -1.276 1.00 19.24 O ATOM 423 CB SER A 32 33.110 7.871 -3.305 1.00 19.47 C ATOM 424 OG SER A 32 32.471 6.874 -2.527 1.00 19.86 O ATOM 425 HA SER A 32 34.933 9.015 -3.364 1.00 0.00 H ATOM 426 HB2 SER A 32 33.260 7.489 -4.315 1.00 0.00 H ATOM 427 HB3 SER A 32 32.470 8.753 -3.343 1.00 0.00 H ATOM 428 HG SER A 32 33.043 6.067 -2.493 1.00 0.00 H ATOM 429 H SER A 32 35.028 6.180 -2.913 1.00 0.00 H ATOM 430 N ARG A 33 34.451 8.157 -0.283 1.00 19.67 N ATOM 431 CA ARG A 33 34.340 8.670 1.083 1.00 20.02 C ATOM 432 C ARG A 33 35.698 9.083 1.663 1.00 20.79 C ATOM 433 O ARG A 33 35.824 9.324 2.870 1.00 20.60 O ATOM 434 CB ARG A 33 33.643 7.648 1.994 1.00 19.67 C ATOM 435 CG ARG A 33 32.200 7.336 1.607 1.00 18.71 C ATOM 436 CD ARG A 33 31.287 8.551 1.766 1.00 16.37 C ATOM 437 NE ARG A 33 29.879 8.208 1.576 1.00 16.39 N ATOM 438 CZ ARG A 33 29.077 7.749 2.536 1.00 16.01 C ATOM 439 NH1 ARG A 33 29.534 7.573 3.771 1.00 14.98 N ATOM 440 NH2 ARG A 33 27.811 7.464 2.257 1.00 16.11 N ATOM 441 HA ARG A 33 33.727 9.570 1.037 1.00 0.00 H ATOM 442 HB2 ARG A 33 34.213 6.719 1.963 1.00 0.00 H ATOM 443 HB3 ARG A 33 33.646 8.040 3.011 1.00 0.00 H ATOM 444 HG2 ARG A 33 32.177 7.012 0.566 1.00 0.00 H ATOM 445 HG3 ARG A 33 31.831 6.533 2.244 1.00 0.00 H ATOM 446 HD2 ARG A 33 31.569 9.302 1.028 1.00 0.00 H ATOM 447 HD3 ARG A 33 31.417 8.961 2.768 1.00 0.00 H ATOM 448 HE ARG A 33 29.475 8.331 0.626 1.00 0.00 H ATOM 449 HH12 ARG A 33 28.901 7.214 4.514 1.00 0.00 H ATOM 450 HH11 ARG A 33 30.525 7.794 3.995 1.00 0.00 H ATOM 451 HH22 ARG A 33 27.182 7.106 3.004 1.00 0.00 H ATOM 452 HH21 ARG A 33 27.448 7.599 1.292 1.00 0.00 H ATOM 453 H ARG A 33 34.658 7.148 -0.425 1.00 0.00 H ATOM 454 N ASN A 34 36.703 9.158 0.789 1.00 21.81 N ATOM 455 CA ASN A 34 38.034 9.687 1.119 1.00 23.04 C ATOM 456 C ASN A 34 38.773 8.899 2.202 1.00 23.50 C ATOM 457 O ASN A 34 39.427 9.475 3.076 1.00 23.76 O ATOM 458 CB ASN A 34 37.954 11.183 1.468 1.00 23.30 C ATOM 459 CG ASN A 34 37.215 11.992 0.409 1.00 24.42 C ATOM 460 OD1 ASN A 34 37.613 12.027 -0.758 1.00 26.28 O ATOM 461 ND2 ASN A 34 36.133 12.646 0.816 1.00 25.89 N ATOM 462 HA ASN A 34 38.636 9.563 0.218 1.00 0.00 H ATOM 463 HB2 ASN A 34 37.432 11.293 2.419 1.00 0.00 H ATOM 464 HB3 ASN A 34 38.967 11.574 1.563 1.00 0.00 H ATOM 465 HD22 ASN A 34 35.834 12.588 1.810 1.00 0.00 H ATOM 466 HD21 ASN A 34 35.585 13.216 0.140 1.00 0.00 H ATOM 467 H ASN A 34 36.535 8.823 -0.181 1.00 0.00 H ATOM 468 N LEU A 35 38.672 7.575 2.124 1.00 24.12 N ATOM 469 CA LEU A 35 39.333 6.687 3.077 1.00 24.80 C ATOM 470 C LEU A 35 40.596 6.043 2.497 1.00 25.31 C ATOM 471 O LEU A 35 41.248 5.232 3.160 1.00 25.52 O ATOM 472 CB LEU A 35 38.352 5.620 3.584 1.00 24.67 C ATOM 473 CG LEU A 35 37.057 6.146 4.219 1.00 24.71 C ATOM 474 CD1 LEU A 35 36.109 5.014 4.562 1.00 24.56 C ATOM 475 CD2 LEU A 35 37.354 6.990 5.450 1.00 24.93 C ATOM 476 HA LEU A 35 39.654 7.298 3.921 1.00 0.00 H ATOM 477 HB2 LEU A 35 38.077 4.990 2.738 1.00 0.00 H ATOM 478 HB3 LEU A 35 38.870 5.018 4.331 1.00 0.00 H ATOM 479 HG LEU A 35 36.566 6.781 3.481 1.00 0.00 H ATOM 480 HD21 LEU A 35 37.883 6.384 6.186 1.00 0.00 H ATOM 481 HD22 LEU A 35 37.974 7.840 5.165 1.00 0.00 H ATOM 482 HD23 LEU A 35 36.418 7.348 5.878 1.00 0.00 H ATOM 483 HD11 LEU A 35 35.853 4.469 3.654 1.00 0.00 H ATOM 484 HD12 LEU A 35 36.592 4.339 5.269 1.00 0.00 H ATOM 485 HD13 LEU A 35 35.203 5.423 5.009 1.00 0.00 H ATOM 486 H LEU A 35 38.104 7.158 1.359 1.00 0.00 H ATOM 487 N THR A 36 40.933 6.414 1.262 1.00 26.12 N ATOM 488 CA THR A 36 42.137 5.916 0.584 1.00 26.92 C ATOM 489 C THR A 36 43.054 7.063 0.137 1.00 27.52 C ATOM 490 O THR A 36 43.905 6.885 -0.742 1.00 27.75 O ATOM 491 CB THR A 36 41.786 5.037 -0.645 1.00 26.88 C ATOM 492 OG1 THR A 36 41.079 5.820 -1.615 1.00 26.77 O ATOM 493 CG2 THR A 36 40.938 3.835 -0.243 1.00 27.03 C ATOM 494 HA THR A 36 42.665 5.305 1.316 1.00 0.00 H ATOM 495 HB THR A 36 42.718 4.669 -1.074 1.00 0.00 H ATOM 496 HG1 THR A 36 40.245 6.168 -1.212 1.00 0.00 H ATOM 497 HG23 THR A 36 41.478 3.241 0.495 1.00 0.00 H ATOM 498 HG21 THR A 36 39.998 4.182 0.186 1.00 0.00 H ATOM 499 HG22 THR A 36 40.734 3.225 -1.123 1.00 0.00 H ATOM 500 H THR A 36 40.318 7.084 0.757 1.00 0.00 H ATOM 501 N LYS A 37 42.882 8.230 0.753 1.00 28.20 N ATOM 502 CA LYS A 37 43.612 9.439 0.367 1.00 28.74 C ATOM 503 C LYS A 37 45.079 9.411 0.811 1.00 28.90 C ATOM 504 O LYS A 37 45.974 9.728 0.023 1.00 29.10 O ATOM 505 CB LYS A 37 42.903 10.686 0.912 1.00 28.86 C ATOM 506 CG LYS A 37 43.526 12.011 0.491 1.00 29.57 C ATOM 507 CD LYS A 37 43.052 13.145 1.384 1.00 30.75 C ATOM 508 CE LYS A 37 43.929 14.375 1.228 1.00 31.34 C ATOM 509 NZ LYS A 37 43.666 15.381 2.295 1.00 32.03 N ATOM 510 HA LYS A 37 43.616 9.477 -0.722 1.00 0.00 H ATOM 511 HB2 LYS A 37 41.871 10.670 0.562 1.00 0.00 H ATOM 512 HB3 LYS A 37 42.917 10.635 2.001 1.00 0.00 H ATOM 513 HG2 LYS A 37 44.611 11.933 0.560 1.00 0.00 H ATOM 514 HG3 LYS A 37 43.243 12.227 -0.539 1.00 0.00 H ATOM 515 HD2 LYS A 37 42.027 13.403 1.117 1.00 0.00 H ATOM 516 HD3 LYS A 37 43.083 12.816 2.423 1.00 0.00 H ATOM 517 HE2 LYS A 37 43.730 14.830 0.257 1.00 0.00 H ATOM 518 HE3 LYS A 37 44.975 14.072 1.279 1.00 0.00 H ATOM 519 HZ1 LYS A 37 42.671 15.681 2.250 1.00 0.00 H ATOM 520 HZ2 LYS A 37 43.860 14.957 3.225 1.00 0.00 H ATOM 521 HZ3 LYS A 37 44.284 16.205 2.153 1.00 0.00 H ATOM 522 H LYS A 37 42.203 8.285 1.539 1.00 0.00 H ATOM 523 N ASP A 38 45.316 9.035 2.066 1.00 29.09 N ATOM 524 CA ASP A 38 46.667 9.008 2.634 1.00 29.33 C ATOM 525 C ASP A 38 47.297 7.615 2.608 1.00 29.20 C ATOM 526 O ASP A 38 48.482 7.469 2.306 1.00 29.40 O ATOM 527 CB ASP A 38 46.679 9.586 4.059 1.00 29.66 C ATOM 528 CG ASP A 38 45.699 8.885 4.997 1.00 30.43 C ATOM 529 OD1 ASP A 38 44.620 8.447 4.539 1.00 31.68 O ATOM 530 OD2 ASP A 38 46.008 8.783 6.204 1.00 31.64 O ATOM 531 HA ASP A 38 47.282 9.641 1.994 1.00 0.00 H ATOM 532 HB2 ASP A 38 47.684 9.483 4.467 1.00 0.00 H ATOM 533 HB3 ASP A 38 46.415 10.642 4.008 1.00 0.00 H ATOM 534 H ASP A 38 44.514 8.750 2.664 1.00 0.00 H ATOM 535 N ARG A 39 46.493 6.604 2.932 1.00 28.78 N ATOM 536 CA ARG A 39 46.906 5.201 2.915 1.00 28.41 C ATOM 537 C ARG A 39 45.672 4.338 2.664 1.00 27.85 C ATOM 538 O ARG A 39 44.548 4.841 2.699 1.00 27.81 O ATOM 539 CB ARG A 39 47.568 4.809 4.244 1.00 28.52 C ATOM 540 CG ARG A 39 46.658 4.930 5.472 1.00 29.47 C ATOM 541 CD ARG A 39 47.411 4.681 6.771 1.00 30.81 C ATOM 542 NE ARG A 39 47.523 3.257 7.083 1.00 32.14 N ATOM 543 CZ ARG A 39 46.750 2.606 7.951 1.00 32.63 C ATOM 544 NH1 ARG A 39 45.790 3.242 8.614 1.00 33.00 N ATOM 545 NH2 ARG A 39 46.939 1.310 8.159 1.00 32.91 N ATOM 546 HA ARG A 39 47.639 5.047 2.123 1.00 0.00 H ATOM 547 HB2 ARG A 39 47.899 3.773 4.167 1.00 0.00 H ATOM 548 HB3 ARG A 39 48.433 5.455 4.397 1.00 0.00 H ATOM 549 HG2 ARG A 39 46.234 5.934 5.498 1.00 0.00 H ATOM 550 HG3 ARG A 39 45.853 4.200 5.387 1.00 0.00 H ATOM 551 HD2 ARG A 39 46.882 5.178 7.584 1.00 0.00 H ATOM 552 HD3 ARG A 39 48.413 5.100 6.682 1.00 0.00 H ATOM 553 HE ARG A 39 48.260 2.712 6.591 1.00 0.00 H ATOM 554 HH12 ARG A 39 45.193 2.723 9.289 1.00 0.00 H ATOM 555 HH11 ARG A 39 45.636 4.259 8.458 1.00 0.00 H ATOM 556 HH22 ARG A 39 46.337 0.799 8.836 1.00 0.00 H ATOM 557 HH21 ARG A 39 47.689 0.805 7.645 1.00 0.00 H ATOM 558 H ARG A 39 45.516 6.825 3.213 1.00 0.00 H ATOM 559 N CYS A 40 45.876 3.047 2.410 1.00 27.16 N ATOM 560 CA CYS A 40 44.759 2.110 2.338 1.00 26.39 C ATOM 561 C CYS A 40 44.312 1.753 3.749 1.00 25.82 C ATOM 562 O CYS A 40 45.031 1.060 4.475 1.00 25.90 O ATOM 563 CB CYS A 40 45.147 0.826 1.599 1.00 26.41 C ATOM 564 SG CYS A 40 45.828 1.018 -0.057 1.00 26.44 S ATOM 565 HA CYS A 40 43.950 2.591 1.788 1.00 0.00 H ATOM 566 HB2 CYS A 40 44.253 0.208 1.519 1.00 0.00 H ATOM 567 HB3 CYS A 40 45.891 0.309 2.204 1.00 0.00 H ATOM 568 H CYS A 40 46.845 2.701 2.261 1.00 0.00 H ATOM 569 N LYS A 41 43.134 2.234 4.142 1.00 25.07 N ATOM 570 CA LYS A 41 42.542 1.815 5.408 1.00 24.15 C ATOM 571 C LYS A 41 42.213 0.325 5.296 1.00 23.40 C ATOM 572 O LYS A 41 41.417 -0.065 4.441 1.00 23.32 O ATOM 573 CB LYS A 41 41.293 2.638 5.741 1.00 24.15 C ATOM 574 CG LYS A 41 40.686 2.304 7.100 1.00 24.15 C ATOM 575 CD LYS A 41 39.562 3.254 7.480 1.00 24.31 C ATOM 576 CE LYS A 41 38.977 2.879 8.839 1.00 24.24 C ATOM 577 NZ LYS A 41 37.914 3.819 9.289 1.00 24.17 N ATOM 578 HA LYS A 41 43.246 1.984 6.223 1.00 0.00 H ATOM 579 HB2 LYS A 41 41.564 3.694 5.734 1.00 0.00 H ATOM 580 HB3 LYS A 41 40.542 2.452 4.973 1.00 0.00 H ATOM 581 HG2 LYS A 41 40.291 1.289 7.068 1.00 0.00 H ATOM 582 HG3 LYS A 41 41.467 2.365 7.857 1.00 0.00 H ATOM 583 HD2 LYS A 41 39.952 4.271 7.526 1.00 0.00 H ATOM 584 HD3 LYS A 41 38.777 3.201 6.725 1.00 0.00 H ATOM 585 HE2 LYS A 41 39.780 2.882 9.577 1.00 0.00 H ATOM 586 HE3 LYS A 41 38.551 1.878 8.771 1.00 0.00 H ATOM 587 HZ1 LYS A 41 38.311 4.777 9.367 1.00 0.00 H ATOM 588 HZ2 LYS A 41 37.137 3.819 8.597 1.00 0.00 H ATOM 589 HZ3 LYS A 41 37.554 3.515 10.216 1.00 0.00 H ATOM 590 H LYS A 41 42.630 2.916 3.540 1.00 0.00 H ATOM 591 N PRO A 42 42.836 -0.509 6.151 1.00 22.70 N ATOM 592 CA PRO A 42 42.743 -1.970 6.055 1.00 22.03 C ATOM 593 C PRO A 42 41.325 -2.522 6.229 1.00 21.20 C ATOM 594 O PRO A 42 40.917 -3.409 5.473 1.00 21.26 O ATOM 595 CB PRO A 42 43.643 -2.460 7.199 1.00 22.22 C ATOM 596 CG PRO A 42 44.487 -1.290 7.571 1.00 22.49 C ATOM 597 CD PRO A 42 43.651 -0.091 7.305 1.00 22.77 C ATOM 598 HA PRO A 42 43.040 -2.310 5.063 1.00 0.00 H ATOM 599 HD3 PRO A 42 43.023 0.148 8.163 1.00 0.00 H ATOM 600 HD2 PRO A 42 44.269 0.772 7.057 1.00 0.00 H ATOM 601 HG3 PRO A 42 45.392 -1.265 6.964 1.00 0.00 H ATOM 602 HG2 PRO A 42 44.760 -1.337 8.625 1.00 0.00 H ATOM 603 HB2 PRO A 42 43.040 -2.780 8.048 1.00 0.00 H ATOM 604 HB3 PRO A 42 44.267 -3.289 6.865 1.00 0.00 H ATOM 605 N VAL A 43 40.595 -2.006 7.219 1.00 19.86 N ATOM 606 CA VAL A 43 39.247 -2.489 7.546 1.00 18.53 C ATOM 607 C VAL A 43 38.309 -1.305 7.798 1.00 17.32 C ATOM 608 O VAL A 43 38.653 -0.394 8.554 1.00 17.24 O ATOM 609 CB VAL A 43 39.255 -3.419 8.798 1.00 18.70 C ATOM 610 CG1 VAL A 43 37.859 -3.958 9.097 1.00 18.88 C ATOM 611 CG2 VAL A 43 40.243 -4.578 8.619 1.00 18.81 C ATOM 612 HA VAL A 43 38.892 -3.068 6.694 1.00 0.00 H ATOM 613 HB VAL A 43 39.579 -2.817 9.647 1.00 0.00 H ATOM 614 HG11 VAL A 43 37.182 -3.125 9.287 1.00 0.00 H ATOM 615 HG12 VAL A 43 37.501 -4.530 8.241 1.00 0.00 H ATOM 616 HG13 VAL A 43 37.900 -4.602 9.975 1.00 0.00 H ATOM 617 HG21 VAL A 43 39.956 -5.167 7.748 1.00 0.00 H ATOM 618 HG22 VAL A 43 41.247 -4.179 8.474 1.00 0.00 H ATOM 619 HG23 VAL A 43 40.226 -5.209 9.508 1.00 0.00 H ATOM 620 H VAL A 43 40.997 -1.230 7.783 1.00 0.00 H ATOM 621 N ASN A 44 37.138 -1.321 7.158 1.00 15.88 N ATOM 622 CA ASN A 44 36.103 -0.298 7.375 1.00 14.57 C ATOM 623 C ASN A 44 34.698 -0.847 7.154 1.00 13.96 C ATOM 624 O ASN A 44 34.467 -1.599 6.210 1.00 14.11 O ATOM 625 CB ASN A 44 36.322 0.918 6.470 1.00 14.40 C ATOM 626 CG ASN A 44 35.467 2.112 6.874 1.00 13.55 C ATOM 627 OD1 ASN A 44 35.757 2.787 7.861 1.00 13.32 O ATOM 628 ND2 ASN A 44 34.413 2.381 6.105 1.00 12.44 N ATOM 629 HA ASN A 44 36.192 0.010 8.417 1.00 0.00 H ATOM 630 HB2 ASN A 44 37.372 1.207 6.521 1.00 0.00 H ATOM 631 HB3 ASN A 44 36.073 0.640 5.446 1.00 0.00 H ATOM 632 HD22 ASN A 44 34.205 1.783 5.280 1.00 0.00 H ATOM 633 HD21 ASN A 44 33.798 3.189 6.330 1.00 0.00 H ATOM 634 H ASN A 44 36.950 -2.086 6.479 1.00 0.00 H ATOM 635 N THR A 45 33.764 -0.444 8.016 1.00 12.99 N ATOM 636 CA THR A 45 32.382 -0.926 7.957 1.00 12.25 C ATOM 637 C THR A 45 31.391 0.203 7.648 1.00 11.62 C ATOM 638 O THR A 45 31.437 1.266 8.274 1.00 11.43 O ATOM 639 CB THR A 45 31.977 -1.625 9.289 1.00 12.10 C ATOM 640 OG1 THR A 45 32.925 -2.653 9.607 1.00 12.27 O ATOM 641 CG2 THR A 45 30.582 -2.246 9.191 1.00 12.54 C ATOM 642 HA THR A 45 32.338 -1.649 7.143 1.00 0.00 H ATOM 643 HB THR A 45 31.967 -0.868 10.073 1.00 0.00 H ATOM 644 HG1 THR A 45 32.941 -3.322 8.878 1.00 0.00 H ATOM 645 HG23 THR A 45 29.856 -1.470 8.949 1.00 0.00 H ATOM 646 HG21 THR A 45 30.578 -3.005 8.409 1.00 0.00 H ATOM 647 HG22 THR A 45 30.322 -2.704 10.145 1.00 0.00 H ATOM 648 H THR A 45 34.026 0.237 8.757 1.00 0.00 H ATOM 649 N PHE A 46 30.513 -0.040 6.673 1.00 11.21 N ATOM 650 CA PHE A 46 29.389 0.845 6.359 1.00 11.03 C ATOM 651 C PHE A 46 28.073 0.256 6.879 1.00 10.88 C ATOM 652 O PHE A 46 27.837 -0.951 6.763 1.00 10.84 O ATOM 653 CB PHE A 46 29.297 1.093 4.849 1.00 11.04 C ATOM 654 CG PHE A 46 30.455 1.875 4.286 1.00 11.30 C ATOM 655 CD1 PHE A 46 30.482 3.266 4.373 1.00 11.63 C ATOM 656 CD2 PHE A 46 31.513 1.220 3.657 1.00 11.84 C ATOM 657 CE1 PHE A 46 31.550 3.998 3.848 1.00 11.98 C ATOM 658 CE2 PHE A 46 32.589 1.945 3.127 1.00 11.76 C ATOM 659 CZ PHE A 46 32.604 3.335 3.224 1.00 11.55 C ATOM 660 HA PHE A 46 29.563 1.799 6.857 1.00 0.00 H ATOM 661 HB2 PHE A 46 29.257 0.128 4.344 1.00 0.00 H ATOM 662 HB3 PHE A 46 28.379 1.645 4.647 1.00 0.00 H ATOM 663 HD2 PHE A 46 31.503 0.133 3.577 1.00 0.00 H ATOM 664 HE2 PHE A 46 33.412 1.423 2.640 1.00 0.00 H ATOM 665 HZ PHE A 46 33.439 3.902 2.812 1.00 0.00 H ATOM 666 HE1 PHE A 46 31.558 5.085 3.927 1.00 0.00 H ATOM 667 HD1 PHE A 46 29.658 3.790 4.858 1.00 0.00 H ATOM 668 H PHE A 46 30.633 -0.904 6.106 1.00 0.00 H ATOM 669 N VAL A 47 27.234 1.115 7.456 1.00 10.70 N ATOM 670 CA VAL A 47 25.953 0.706 8.050 1.00 10.97 C ATOM 671 C VAL A 47 24.803 1.240 7.199 1.00 11.09 C ATOM 672 O VAL A 47 24.761 2.434 6.885 1.00 11.04 O ATOM 673 CB VAL A 47 25.813 1.217 9.513 1.00 10.77 C ATOM 674 CG1 VAL A 47 24.513 0.732 10.144 1.00 10.77 C ATOM 675 CG2 VAL A 47 27.003 0.770 10.362 1.00 10.73 C ATOM 676 HA VAL A 47 25.921 -0.383 8.074 1.00 0.00 H ATOM 677 HB VAL A 47 25.795 2.306 9.479 1.00 0.00 H ATOM 678 HG11 VAL A 47 23.668 1.103 9.563 1.00 0.00 H ATOM 679 HG12 VAL A 47 24.499 -0.358 10.153 1.00 0.00 H ATOM 680 HG13 VAL A 47 24.445 1.106 11.166 1.00 0.00 H ATOM 681 HG21 VAL A 47 27.051 -0.319 10.373 1.00 0.00 H ATOM 682 HG22 VAL A 47 27.923 1.171 9.936 1.00 0.00 H ATOM 683 HG23 VAL A 47 26.881 1.140 11.380 1.00 0.00 H ATOM 684 H VAL A 47 27.497 2.121 7.488 1.00 0.00 H ATOM 685 N HIS A 48 23.869 0.357 6.845 1.00 11.65 N ATOM 686 CA HIS A 48 22.811 0.686 5.882 1.00 12.11 C ATOM 687 C HIS A 48 21.459 1.078 6.492 1.00 12.36 C ATOM 688 O HIS A 48 20.526 1.437 5.765 1.00 12.76 O ATOM 689 CB HIS A 48 22.655 -0.443 4.859 1.00 12.14 C ATOM 690 CG HIS A 48 23.933 -0.796 4.162 1.00 12.26 C ATOM 691 ND1 HIS A 48 24.631 0.106 3.387 1.00 12.20 N ATOM 692 CD2 HIS A 48 24.644 -1.947 4.134 1.00 12.28 C ATOM 693 CE1 HIS A 48 25.716 -0.476 2.908 1.00 12.97 C ATOM 694 NE2 HIS A 48 25.748 -1.722 3.348 1.00 12.89 N ATOM 695 HA HIS A 48 23.149 1.595 5.385 1.00 0.00 H ATOM 696 HB2 HIS A 48 22.287 -1.329 5.376 1.00 0.00 H ATOM 697 HB3 HIS A 48 21.927 -0.132 4.110 1.00 0.00 H ATOM 698 HD2 HIS A 48 24.389 -2.878 4.640 1.00 0.00 H ATOM 699 HE1 HIS A 48 26.458 -0.009 2.261 1.00 0.00 H ATOM 700 H HIS A 48 23.891 -0.595 7.264 1.00 0.00 H ATOM 701 N GLU A 49 21.366 1.027 7.818 1.00 12.53 N ATOM 702 CA GLU A 49 20.180 1.500 8.535 1.00 12.50 C ATOM 703 C GLU A 49 20.131 3.030 8.520 1.00 12.53 C ATOM 704 O GLU A 49 21.096 3.677 8.109 1.00 12.61 O ATOM 705 CB GLU A 49 20.176 0.976 9.978 1.00 12.74 C ATOM 706 CG GLU A 49 20.313 -0.544 10.115 1.00 12.90 C ATOM 707 CD GLU A 49 19.174 -1.338 9.483 1.00 14.30 C ATOM 708 OE1 GLU A 49 18.045 -0.809 9.372 1.00 15.34 O ATOM 709 OE2 GLU A 49 19.413 -2.509 9.102 1.00 14.24 O ATOM 710 HA GLU A 49 19.293 1.117 8.031 1.00 0.00 H ATOM 711 HB2 GLU A 49 21.007 1.440 10.509 1.00 0.00 H ATOM 712 HB3 GLU A 49 19.237 1.275 10.444 1.00 0.00 H ATOM 713 HG2 GLU A 49 21.246 -0.847 9.639 1.00 0.00 H ATOM 714 HG3 GLU A 49 20.352 -0.789 11.176 1.00 0.00 H ATOM 715 H GLU A 49 22.162 0.638 8.363 1.00 0.00 H ATOM 716 N SER A 50 19.009 3.604 8.956 1.00 12.48 N ATOM 717 CA SER A 50 18.842 5.059 8.981 1.00 12.67 C ATOM 718 C SER A 50 19.765 5.720 10.002 1.00 12.58 C ATOM 719 O SER A 50 20.198 5.078 10.961 1.00 12.64 O ATOM 720 CB SER A 50 17.386 5.438 9.270 1.00 12.66 C ATOM 721 OG SER A 50 17.008 5.076 10.588 1.00 13.33 O ATOM 722 HA SER A 50 19.115 5.427 7.992 1.00 0.00 H ATOM 723 HB2 SER A 50 16.738 4.923 8.561 1.00 0.00 H ATOM 724 HB3 SER A 50 17.269 6.515 9.151 1.00 0.00 H ATOM 725 HG SER A 50 16.065 5.334 10.742 1.00 0.00 H ATOM 726 H SER A 50 18.230 3.001 9.288 1.00 0.00 H ATOM 727 N LEU A 51 20.064 7.001 9.792 1.00 12.71 N ATOM 728 CA LEU A 51 20.853 7.769 10.758 1.00 12.88 C ATOM 729 C LEU A 51 20.164 7.793 12.127 1.00 12.81 C ATOM 730 O LEU A 51 20.823 7.639 13.159 1.00 12.71 O ATOM 731 CB LEU A 51 21.122 9.195 10.254 1.00 13.15 C ATOM 732 CG LEU A 51 21.992 10.101 11.140 1.00 13.53 C ATOM 733 CD1 LEU A 51 23.396 9.524 11.335 1.00 14.17 C ATOM 734 CD2 LEU A 51 22.063 11.520 10.582 1.00 14.65 C ATOM 735 HA LEU A 51 21.816 7.272 10.870 1.00 0.00 H ATOM 736 HB2 LEU A 51 21.614 9.113 9.285 1.00 0.00 H ATOM 737 HB3 LEU A 51 20.157 9.687 10.130 1.00 0.00 H ATOM 738 HG LEU A 51 21.514 10.145 12.119 1.00 0.00 H ATOM 739 HD21 LEU A 51 22.495 11.494 9.582 1.00 0.00 H ATOM 740 HD22 LEU A 51 21.059 11.941 10.535 1.00 0.00 H ATOM 741 HD23 LEU A 51 22.686 12.134 11.232 1.00 0.00 H ATOM 742 HD11 LEU A 51 23.323 8.546 11.811 1.00 0.00 H ATOM 743 HD12 LEU A 51 23.883 9.422 10.365 1.00 0.00 H ATOM 744 HD13 LEU A 51 23.978 10.194 11.967 1.00 0.00 H ATOM 745 H LEU A 51 19.730 7.466 8.924 1.00 0.00 H ATOM 746 N ALA A 52 18.841 7.959 12.131 1.00 12.93 N ATOM 747 CA ALA A 52 18.071 7.923 13.381 1.00 12.76 C ATOM 748 C ALA A 52 18.286 6.615 14.156 1.00 12.76 C ATOM 749 O ALA A 52 18.519 6.642 15.372 1.00 12.60 O ATOM 750 CB ALA A 52 16.589 8.161 13.114 1.00 13.05 C ATOM 751 HA ALA A 52 18.442 8.732 14.010 1.00 0.00 H ATOM 752 HB1 ALA A 52 16.457 9.138 12.649 1.00 0.00 H ATOM 753 HB2 ALA A 52 16.212 7.386 12.447 1.00 0.00 H ATOM 754 HB3 ALA A 52 16.042 8.129 14.056 1.00 0.00 H ATOM 755 H ALA A 52 18.344 8.117 11.231 1.00 0.00 H ATOM 756 N ASP A 53 18.235 5.483 13.452 1.00 12.57 N ATOM 757 CA ASP A 53 18.388 4.166 14.087 1.00 12.57 C ATOM 758 C ASP A 53 19.786 3.950 14.679 1.00 12.25 C ATOM 759 O ASP A 53 19.925 3.373 15.759 1.00 11.89 O ATOM 760 CB ASP A 53 18.034 3.029 13.116 1.00 12.93 C ATOM 761 CG ASP A 53 16.527 2.790 12.997 1.00 13.81 C ATOM 762 OD1 ASP A 53 15.731 3.475 13.681 1.00 16.09 O ATOM 763 OD2 ASP A 53 16.138 1.905 12.205 1.00 15.46 O ATOM 764 HA ASP A 53 17.681 4.148 14.917 1.00 0.00 H ATOM 765 HB2 ASP A 53 18.425 3.280 12.130 1.00 0.00 H ATOM 766 HB3 ASP A 53 18.504 2.111 13.469 1.00 0.00 H ATOM 767 H ASP A 53 18.083 5.534 12.424 1.00 0.00 H ATOM 768 N VAL A 54 20.813 4.421 13.973 1.00 11.88 N ATOM 769 CA VAL A 54 22.196 4.284 14.440 1.00 11.28 C ATOM 770 C VAL A 54 22.487 5.246 15.601 1.00 11.36 C ATOM 771 O VAL A 54 23.119 4.864 16.591 1.00 11.13 O ATOM 772 CB VAL A 54 23.209 4.440 13.274 1.00 11.37 C ATOM 773 CG1 VAL A 54 24.649 4.359 13.777 1.00 10.92 C ATOM 774 CG2 VAL A 54 22.961 3.361 12.219 1.00 10.73 C ATOM 775 HA VAL A 54 22.321 3.273 14.827 1.00 0.00 H ATOM 776 HB VAL A 54 23.062 5.423 12.827 1.00 0.00 H ATOM 777 HG11 VAL A 54 24.825 5.156 14.500 1.00 0.00 H ATOM 778 HG12 VAL A 54 24.812 3.392 14.253 1.00 0.00 H ATOM 779 HG13 VAL A 54 25.333 4.472 12.936 1.00 0.00 H ATOM 780 HG21 VAL A 54 23.083 2.377 12.672 1.00 0.00 H ATOM 781 HG22 VAL A 54 21.947 3.461 11.831 1.00 0.00 H ATOM 782 HG23 VAL A 54 23.677 3.479 11.405 1.00 0.00 H ATOM 783 H VAL A 54 20.629 4.898 13.067 1.00 0.00 H ATOM 784 N GLN A 55 22.002 6.484 15.494 1.00 11.19 N ATOM 785 CA GLN A 55 22.111 7.448 16.595 1.00 11.35 C ATOM 786 C GLN A 55 21.453 6.933 17.882 1.00 11.24 C ATOM 787 O GLN A 55 21.963 7.173 18.983 1.00 11.63 O ATOM 788 CB GLN A 55 21.510 8.802 16.205 1.00 11.20 C ATOM 789 CG GLN A 55 22.369 9.602 15.224 1.00 11.26 C ATOM 790 CD GLN A 55 21.700 10.884 14.753 1.00 11.78 C ATOM 791 OE1 GLN A 55 20.473 11.007 14.764 1.00 12.24 O ATOM 792 NE2 GLN A 55 22.511 11.839 14.316 1.00 11.42 N ATOM 793 HA GLN A 55 23.175 7.577 16.792 1.00 0.00 H ATOM 794 HB2 GLN A 55 20.537 8.627 15.746 1.00 0.00 H ATOM 795 HB3 GLN A 55 21.381 9.394 17.111 1.00 0.00 H ATOM 796 HG2 GLN A 55 23.307 9.860 15.715 1.00 0.00 H ATOM 797 HG3 GLN A 55 22.575 8.978 14.354 1.00 0.00 H ATOM 798 HE22 GLN A 55 23.540 11.691 14.325 1.00 0.00 H ATOM 799 HE21 GLN A 55 22.117 12.735 13.964 1.00 0.00 H ATOM 800 H GLN A 55 21.536 6.773 14.610 1.00 0.00 H ATOM 801 N ALA A 56 20.336 6.221 17.729 1.00 11.03 N ATOM 802 CA ALA A 56 19.603 5.639 18.861 1.00 10.69 C ATOM 803 C ALA A 56 20.415 4.607 19.649 1.00 10.43 C ATOM 804 O ALA A 56 20.104 4.333 20.808 1.00 10.28 O ATOM 805 CB ALA A 56 18.286 5.025 18.393 1.00 10.81 C ATOM 806 HA ALA A 56 19.401 6.464 19.544 1.00 0.00 H ATOM 807 HB1 ALA A 56 17.670 5.797 17.933 1.00 0.00 H ATOM 808 HB2 ALA A 56 18.491 4.240 17.665 1.00 0.00 H ATOM 809 HB3 ALA A 56 17.760 4.600 19.248 1.00 0.00 H ATOM 810 H ALA A 56 19.968 6.071 16.768 1.00 0.00 H ATOM 811 N VAL A 57 21.448 4.038 19.025 1.00 10.06 N ATOM 812 CA VAL A 57 22.298 3.041 19.690 1.00 10.26 C ATOM 813 C VAL A 57 23.004 3.625 20.926 1.00 10.25 C ATOM 814 O VAL A 57 23.311 2.898 21.871 1.00 10.36 O ATOM 815 CB VAL A 57 23.306 2.366 18.699 1.00 10.15 C ATOM 816 CG1 VAL A 57 24.196 1.342 19.413 1.00 10.21 C ATOM 817 CG2 VAL A 57 22.554 1.681 17.560 1.00 9.93 C ATOM 818 HA VAL A 57 21.637 2.250 20.045 1.00 0.00 H ATOM 819 HB VAL A 57 23.943 3.152 18.295 1.00 0.00 H ATOM 820 HG11 VAL A 57 24.765 1.841 20.197 1.00 0.00 H ATOM 821 HG12 VAL A 57 23.572 0.565 19.854 1.00 0.00 H ATOM 822 HG13 VAL A 57 24.882 0.895 18.694 1.00 0.00 H ATOM 823 HG21 VAL A 57 21.893 0.917 17.970 1.00 0.00 H ATOM 824 HG22 VAL A 57 21.965 2.421 17.019 1.00 0.00 H ATOM 825 HG23 VAL A 57 23.270 1.217 16.881 1.00 0.00 H ATOM 826 H VAL A 57 21.657 4.307 18.042 1.00 0.00 H ATOM 827 N CYS A 58 23.216 4.943 20.935 1.00 10.30 N ATOM 828 CA CYS A 58 23.871 5.618 22.060 1.00 10.66 C ATOM 829 C CYS A 58 23.066 5.545 23.364 1.00 10.79 C ATOM 830 O CYS A 58 23.583 5.886 24.426 1.00 11.06 O ATOM 831 CB CYS A 58 24.179 7.087 21.721 1.00 10.54 C ATOM 832 SG CYS A 58 25.405 7.347 20.405 1.00 10.90 S ATOM 833 HA CYS A 58 24.803 5.078 22.226 1.00 0.00 H ATOM 834 HB2 CYS A 58 24.549 7.570 22.625 1.00 0.00 H ATOM 835 HB3 CYS A 58 23.248 7.563 21.412 1.00 0.00 H ATOM 836 H CYS A 58 22.907 5.509 20.119 1.00 0.00 H ATOM 837 N SER A 59 21.809 5.108 23.270 1.00 10.97 N ATOM 838 CA SER A 59 20.947 4.933 24.441 1.00 11.43 C ATOM 839 C SER A 59 20.622 3.460 24.698 1.00 11.13 C ATOM 840 O SER A 59 19.777 3.140 25.545 1.00 11.03 O ATOM 841 CB SER A 59 19.651 5.730 24.267 1.00 11.79 C ATOM 842 OG SER A 59 18.785 5.090 23.341 1.00 13.78 O ATOM 843 HA SER A 59 21.493 5.308 25.307 1.00 0.00 H ATOM 844 HB2 SER A 59 19.891 6.728 23.901 1.00 0.00 H ATOM 845 HB3 SER A 59 19.148 5.810 25.231 1.00 0.00 H ATOM 846 HG SER A 59 19.237 5.019 22.463 1.00 0.00 H ATOM 847 H SER A 59 21.427 4.883 22.329 1.00 0.00 H ATOM 848 N GLN A 60 21.285 2.569 23.963 1.00 10.74 N ATOM 849 CA GLN A 60 21.002 1.136 24.053 1.00 11.04 C ATOM 850 C GLN A 60 21.975 0.416 25.006 1.00 11.02 C ATOM 851 O GLN A 60 22.296 0.977 26.052 1.00 11.61 O ATOM 852 CB GLN A 60 20.876 0.527 22.651 1.00 10.76 C ATOM 853 CG GLN A 60 19.642 1.103 21.931 1.00 11.00 C ATOM 854 CD GLN A 60 19.463 0.671 20.482 1.00 10.97 C ATOM 855 OE1 GLN A 60 19.950 -0.375 20.052 1.00 10.15 O ATOM 856 NE2 GLN A 60 18.732 1.484 19.723 1.00 12.20 N ATOM 857 HA GLN A 60 20.029 0.986 24.521 1.00 0.00 H ATOM 858 HB2 GLN A 60 21.771 0.760 22.075 1.00 0.00 H ATOM 859 HB3 GLN A 60 20.772 -0.555 22.736 1.00 0.00 H ATOM 860 HG2 GLN A 60 18.756 0.794 22.485 1.00 0.00 H ATOM 861 HG3 GLN A 60 19.720 2.190 21.950 1.00 0.00 H ATOM 862 HE22 GLN A 60 18.339 2.358 20.126 1.00 0.00 H ATOM 863 HE21 GLN A 60 18.554 1.245 18.727 1.00 0.00 H ATOM 864 H GLN A 60 22.022 2.900 23.309 1.00 0.00 H ATOM 865 N LYS A 61 22.435 -0.794 24.676 1.00 11.38 N ATOM 866 CA LYS A 61 23.181 -1.605 25.658 1.00 11.54 C ATOM 867 C LYS A 61 24.630 -1.162 25.884 1.00 11.50 C ATOM 868 O LYS A 61 25.458 -1.272 24.987 1.00 11.48 O ATOM 869 CB LYS A 61 23.147 -3.100 25.304 1.00 11.56 C ATOM 870 CG LYS A 61 23.747 -3.985 26.395 1.00 12.79 C ATOM 871 CD LYS A 61 23.788 -5.451 26.002 1.00 14.53 C ATOM 872 CE LYS A 61 24.444 -6.279 27.102 1.00 16.35 C ATOM 873 NZ LYS A 61 24.528 -7.732 26.769 1.00 17.59 N ATOM 874 HA LYS A 61 22.655 -1.436 26.598 1.00 0.00 H ATOM 875 HB2 LYS A 61 22.110 -3.397 25.147 1.00 0.00 H ATOM 876 HB3 LYS A 61 23.711 -3.252 24.384 1.00 0.00 H ATOM 877 HG2 LYS A 61 24.764 -3.649 26.597 1.00 0.00 H ATOM 878 HG3 LYS A 61 23.145 -3.882 27.298 1.00 0.00 H ATOM 879 HD2 LYS A 61 22.771 -5.808 25.841 1.00 0.00 H ATOM 880 HD3 LYS A 61 24.360 -5.560 25.081 1.00 0.00 H ATOM 881 HE2 LYS A 61 23.862 -6.165 28.016 1.00 0.00 H ATOM 882 HE3 LYS A 61 25.453 -5.901 27.266 1.00 0.00 H ATOM 883 HZ1 LYS A 61 23.570 -8.108 26.619 1.00 0.00 H ATOM 884 HZ2 LYS A 61 25.090 -7.856 25.903 1.00 0.00 H ATOM 885 HZ3 LYS A 61 24.983 -8.241 27.554 1.00 0.00 H ATOM 886 H LYS A 61 22.266 -1.167 23.720 1.00 0.00 H ATOM 887 N ASN A 62 24.923 -0.690 27.094 1.00 11.41 N ATOM 888 CA ASN A 62 26.280 -0.275 27.472 1.00 11.65 C ATOM 889 C ASN A 62 27.231 -1.472 27.572 1.00 11.54 C ATOM 890 O ASN A 62 26.998 -2.401 28.360 1.00 11.48 O ATOM 891 CB ASN A 62 26.251 0.510 28.795 1.00 11.97 C ATOM 892 CG ASN A 62 27.555 1.255 29.084 1.00 12.94 C ATOM 893 OD1 ASN A 62 27.903 1.484 30.244 1.00 14.55 O ATOM 894 ND2 ASN A 62 28.272 1.646 28.032 1.00 13.70 N ATOM 895 HA ASN A 62 26.660 0.377 26.685 1.00 0.00 H ATOM 896 HB2 ASN A 62 25.440 1.237 28.749 1.00 0.00 H ATOM 897 HB3 ASN A 62 26.064 -0.190 29.609 1.00 0.00 H ATOM 898 HD22 ASN A 62 27.942 1.432 27.069 1.00 0.00 H ATOM 899 HD21 ASN A 62 29.162 2.165 28.173 1.00 0.00 H ATOM 900 H ASN A 62 24.162 -0.612 27.798 1.00 0.00 H ATOM 901 N VAL A 63 28.292 -1.446 26.763 1.00 11.18 N ATOM 902 CA VAL A 63 29.317 -2.501 26.759 1.00 11.00 C ATOM 903 C VAL A 63 30.730 -1.899 26.809 1.00 11.01 C ATOM 904 O VAL A 63 30.929 -0.750 26.412 1.00 10.87 O ATOM 905 CB VAL A 63 29.195 -3.446 25.520 1.00 11.07 C ATOM 906 CG1 VAL A 63 27.858 -4.197 25.513 1.00 11.20 C ATOM 907 CG2 VAL A 63 29.390 -2.681 24.210 1.00 10.85 C ATOM 908 HA VAL A 63 29.146 -3.098 27.655 1.00 0.00 H ATOM 909 HB VAL A 63 29.994 -4.183 25.602 1.00 0.00 H ATOM 910 HG11 VAL A 63 27.777 -4.801 26.417 1.00 0.00 H ATOM 911 HG12 VAL A 63 27.039 -3.478 25.481 1.00 0.00 H ATOM 912 HG13 VAL A 63 27.811 -4.844 24.637 1.00 0.00 H ATOM 913 HG21 VAL A 63 28.630 -1.904 24.128 1.00 0.00 H ATOM 914 HG22 VAL A 63 30.380 -2.225 24.201 1.00 0.00 H ATOM 915 HG23 VAL A 63 29.298 -3.371 23.371 1.00 0.00 H ATOM 916 H VAL A 63 28.399 -0.646 26.107 1.00 0.00 H ATOM 917 N ALA A 64 31.706 -2.669 27.293 1.00 10.79 N ATOM 918 CA ALA A 64 33.097 -2.196 27.319 1.00 10.71 C ATOM 919 C ALA A 64 33.620 -1.942 25.907 1.00 10.65 C ATOM 920 O ALA A 64 33.376 -2.738 25.000 1.00 10.44 O ATOM 921 CB ALA A 64 33.995 -3.188 28.045 1.00 10.76 C ATOM 922 HA ALA A 64 33.114 -1.252 27.863 1.00 0.00 H ATOM 923 HB1 ALA A 64 33.646 -3.309 29.071 1.00 0.00 H ATOM 924 HB2 ALA A 64 33.961 -4.149 27.533 1.00 0.00 H ATOM 925 HB3 ALA A 64 35.019 -2.814 28.050 1.00 0.00 H ATOM 926 H ALA A 64 31.479 -3.617 27.657 1.00 0.00 H ATOM 927 N CYS A 65 34.318 -0.821 25.728 1.00 10.75 N ATOM 928 CA CYS A 65 35.008 -0.514 24.472 1.00 10.93 C ATOM 929 C CYS A 65 36.293 -1.314 24.376 1.00 10.88 C ATOM 930 O CYS A 65 36.907 -1.629 25.394 1.00 10.78 O ATOM 931 CB CYS A 65 35.384 0.967 24.406 1.00 10.97 C ATOM 932 SG CYS A 65 34.028 2.122 24.537 1.00 11.84 S ATOM 933 HA CYS A 65 34.331 -0.766 23.656 1.00 0.00 H ATOM 934 HB2 CYS A 65 35.882 1.143 23.453 1.00 0.00 H ATOM 935 HB3 CYS A 65 36.078 1.172 25.221 1.00 0.00 H ATOM 936 H CYS A 65 34.375 -0.138 26.510 1.00 0.00 H ATOM 937 N LYS A 66 36.722 -1.611 23.151 1.00 11.27 N ATOM 938 CA LYS A 66 38.000 -2.294 22.935 1.00 11.84 C ATOM 939 C LYS A 66 39.179 -1.576 23.604 1.00 12.37 C ATOM 940 O LYS A 66 40.128 -2.228 24.045 1.00 12.73 O ATOM 941 CB LYS A 66 38.267 -2.491 21.440 1.00 11.78 C ATOM 942 CG LYS A 66 37.489 -3.643 20.818 1.00 12.31 C ATOM 943 CD LYS A 66 37.657 -3.668 19.308 1.00 14.51 C ATOM 944 CE LYS A 66 36.825 -4.777 18.681 1.00 15.82 C ATOM 945 NZ LYS A 66 36.884 -4.739 17.184 1.00 17.07 N ATOM 946 HA LYS A 66 37.914 -3.271 23.411 1.00 0.00 H ATOM 947 HB2 LYS A 66 37.995 -1.573 20.919 1.00 0.00 H ATOM 948 HB3 LYS A 66 39.331 -2.683 21.304 1.00 0.00 H ATOM 949 HG2 LYS A 66 37.853 -4.583 21.232 1.00 0.00 H ATOM 950 HG3 LYS A 66 36.432 -3.528 21.056 1.00 0.00 H ATOM 951 HD2 LYS A 66 37.339 -2.709 18.898 1.00 0.00 H ATOM 952 HD3 LYS A 66 38.708 -3.833 19.069 1.00 0.00 H ATOM 953 HE2 LYS A 66 35.788 -4.662 18.996 1.00 0.00 H ATOM 954 HE3 LYS A 66 37.203 -5.740 19.025 1.00 0.00 H ATOM 955 HZ1 LYS A 66 36.518 -3.826 16.847 1.00 0.00 H ATOM 956 HZ2 LYS A 66 37.870 -4.855 16.874 1.00 0.00 H ATOM 957 HZ3 LYS A 66 36.304 -5.510 16.796 1.00 0.00 H ATOM 958 H LYS A 66 36.138 -1.353 22.330 1.00 0.00 H ATOM 959 N ASN A 67 39.100 -0.248 23.695 1.00 13.10 N ATOM 960 CA ASN A 67 40.174 0.566 24.288 1.00 13.72 C ATOM 961 C ASN A 67 40.074 0.748 25.810 1.00 13.88 C ATOM 962 O ASN A 67 40.890 1.454 26.414 1.00 14.50 O ATOM 963 CB ASN A 67 40.287 1.933 23.577 1.00 13.91 C ATOM 964 CG ASN A 67 39.264 2.956 24.070 1.00 14.33 C ATOM 965 OD1 ASN A 67 38.257 2.610 24.688 1.00 13.74 O ATOM 966 ND2 ASN A 67 39.528 4.231 23.791 1.00 14.86 N ATOM 967 HA ASN A 67 41.088 -0.005 24.126 1.00 0.00 H ATOM 968 HB2 ASN A 67 41.287 2.332 23.750 1.00 0.00 H ATOM 969 HB3 ASN A 67 40.137 1.781 22.508 1.00 0.00 H ATOM 970 HD22 ASN A 67 40.391 4.481 23.266 1.00 0.00 H ATOM 971 HD21 ASN A 67 38.872 4.977 24.098 1.00 0.00 H ATOM 972 H ASN A 67 38.250 0.230 23.334 1.00 0.00 H ATOM 973 N GLY A 68 39.066 0.128 26.418 1.00 13.84 N ATOM 974 CA GLY A 68 38.891 0.179 27.867 1.00 13.91 C ATOM 975 C GLY A 68 37.954 1.255 28.388 1.00 13.94 C ATOM 976 O GLY A 68 37.611 1.253 29.571 1.00 14.09 O ATOM 977 HA3 GLY A 68 39.871 0.344 28.316 1.00 0.00 H ATOM 978 HA2 GLY A 68 38.503 -0.787 28.190 1.00 0.00 H ATOM 979 H GLY A 68 38.383 -0.408 25.845 1.00 0.00 H ATOM 980 N GLN A 69 37.540 2.180 27.520 1.00 14.00 N ATOM 981 CA GLN A 69 36.573 3.208 27.909 1.00 13.99 C ATOM 982 C GLN A 69 35.177 2.607 28.098 1.00 13.74 C ATOM 983 O GLN A 69 34.907 1.494 27.641 1.00 13.45 O ATOM 984 CB GLN A 69 36.529 4.343 26.882 1.00 14.27 C ATOM 985 CG GLN A 69 37.664 5.341 27.003 1.00 15.40 C ATOM 986 CD GLN A 69 37.452 6.557 26.122 1.00 16.42 C ATOM 987 OE1 GLN A 69 38.001 6.640 25.027 1.00 17.25 O ATOM 988 NE2 GLN A 69 36.636 7.495 26.588 1.00 17.59 N ATOM 989 HA GLN A 69 36.901 3.622 28.862 1.00 0.00 H ATOM 990 HB2 GLN A 69 36.566 3.903 25.885 1.00 0.00 H ATOM 991 HB3 GLN A 69 35.588 4.879 27.006 1.00 0.00 H ATOM 992 HG2 GLN A 69 37.737 5.667 28.041 1.00 0.00 H ATOM 993 HG3 GLN A 69 38.594 4.853 26.711 1.00 0.00 H ATOM 994 HE22 GLN A 69 36.193 7.382 27.522 1.00 0.00 H ATOM 995 HE21 GLN A 69 36.440 8.343 26.019 1.00 0.00 H ATOM 996 H GLN A 69 37.911 2.170 26.549 1.00 0.00 H ATOM 997 N THR A 70 34.294 3.340 28.771 1.00 13.63 N ATOM 998 CA THR A 70 32.958 2.823 29.076 1.00 13.73 C ATOM 999 C THR A 70 31.834 3.464 28.251 1.00 13.07 C ATOM 1000 O THR A 70 30.653 3.311 28.576 1.00 13.61 O ATOM 1001 CB THR A 70 32.630 2.954 30.583 1.00 14.02 C ATOM 1002 OG1 THR A 70 32.542 4.338 30.940 1.00 15.51 O ATOM 1003 CG2 THR A 70 33.700 2.279 31.431 1.00 15.15 C ATOM 1004 HA THR A 70 32.998 1.770 28.796 1.00 0.00 H ATOM 1005 HB THR A 70 31.675 2.463 30.771 1.00 0.00 H ATOM 1006 HG1 THR A 70 32.332 4.416 31.904 1.00 0.00 H ATOM 1007 HG23 THR A 70 33.767 1.226 31.159 1.00 0.00 H ATOM 1008 HG21 THR A 70 34.661 2.763 31.254 1.00 0.00 H ATOM 1009 HG22 THR A 70 33.436 2.367 32.485 1.00 0.00 H ATOM 1010 H THR A 70 34.557 4.296 29.086 1.00 0.00 H ATOM 1011 N ASN A 71 32.197 4.172 27.186 1.00 12.00 N ATOM 1012 CA ASN A 71 31.208 4.886 26.374 1.00 11.02 C ATOM 1013 C ASN A 71 30.830 4.168 25.075 1.00 10.65 C ATOM 1014 O ASN A 71 30.547 4.817 24.060 1.00 10.21 O ATOM 1015 CB ASN A 71 31.686 6.312 26.073 1.00 10.96 C ATOM 1016 CG ASN A 71 32.961 6.339 25.255 1.00 11.12 C ATOM 1017 OD1 ASN A 71 33.883 5.561 25.500 1.00 11.16 O ATOM 1018 ND2 ASN A 71 33.017 7.230 24.269 1.00 11.23 N ATOM 1019 HA ASN A 71 30.300 4.918 26.976 1.00 0.00 H ATOM 1020 HB2 ASN A 71 30.905 6.833 25.519 1.00 0.00 H ATOM 1021 HB3 ASN A 71 31.866 6.827 27.017 1.00 0.00 H ATOM 1022 HD22 ASN A 71 32.214 7.868 24.098 1.00 0.00 H ATOM 1023 HD21 ASN A 71 33.864 7.289 23.669 1.00 0.00 H ATOM 1024 H ASN A 71 33.202 4.220 26.924 1.00 0.00 H ATOM 1025 N CYS A 72 30.834 2.836 25.110 1.00 10.01 N ATOM 1026 CA CYS A 72 30.403 2.035 23.960 1.00 9.82 C ATOM 1027 C CYS A 72 29.043 1.396 24.173 1.00 9.67 C ATOM 1028 O CYS A 72 28.656 1.096 25.308 1.00 9.65 O ATOM 1029 CB CYS A 72 31.443 0.984 23.593 1.00 9.83 C ATOM 1030 SG CYS A 72 32.921 1.717 22.889 1.00 10.18 S ATOM 1031 HA CYS A 72 30.304 2.726 23.123 1.00 0.00 H ATOM 1032 HB2 CYS A 72 31.009 0.298 22.865 1.00 0.00 H ATOM 1033 HB3 CYS A 72 31.718 0.432 24.492 1.00 0.00 H ATOM 1034 H CYS A 72 31.151 2.352 25.975 1.00 0.00 H ATOM 1035 N TYR A 73 28.321 1.207 23.068 1.00 9.71 N ATOM 1036 CA TYR A 73 26.935 0.741 23.096 1.00 10.01 C ATOM 1037 C TYR A 73 26.657 -0.257 21.978 1.00 10.13 C ATOM 1038 O TYR A 73 27.051 -0.037 20.832 1.00 10.00 O ATOM 1039 CB TYR A 73 25.973 1.935 23.012 1.00 10.05 C ATOM 1040 CG TYR A 73 26.219 2.951 24.106 1.00 10.31 C ATOM 1041 CD1 TYR A 73 27.148 3.979 23.932 1.00 11.09 C ATOM 1042 CD2 TYR A 73 25.565 2.853 25.333 1.00 11.18 C ATOM 1043 CE1 TYR A 73 27.406 4.894 24.942 1.00 11.34 C ATOM 1044 CE2 TYR A 73 25.812 3.768 26.348 1.00 11.52 C ATOM 1045 CZ TYR A 73 26.734 4.785 26.145 1.00 11.66 C ATOM 1046 OH TYR A 73 26.994 5.693 27.143 1.00 11.66 O ATOM 1047 HA TYR A 73 26.772 0.224 24.042 1.00 0.00 H ATOM 1048 HB3 TYR A 73 24.950 1.568 23.098 1.00 0.00 H ATOM 1049 HB2 TYR A 73 26.103 2.422 22.046 1.00 0.00 H ATOM 1050 HD2 TYR A 73 24.850 2.047 25.498 1.00 0.00 H ATOM 1051 HE2 TYR A 73 25.285 3.688 27.299 1.00 0.00 H ATOM 1052 HE1 TYR A 73 28.132 5.692 24.788 1.00 0.00 H ATOM 1053 HD1 TYR A 73 27.680 4.064 22.985 1.00 0.00 H ATOM 1054 HH TYR A 73 27.671 6.343 26.828 1.00 0.00 H ATOM 1055 H TYR A 73 28.763 1.399 22.146 1.00 0.00 H ATOM 1056 N GLN A 74 25.993 -1.358 22.330 1.00 10.14 N ATOM 1057 CA GLN A 74 25.641 -2.409 21.378 1.00 10.43 C ATOM 1058 C GLN A 74 24.161 -2.319 21.007 1.00 10.61 C ATOM 1059 O GLN A 74 23.308 -2.151 21.883 1.00 10.25 O ATOM 1060 CB GLN A 74 25.960 -3.787 21.967 1.00 10.64 C ATOM 1061 CG GLN A 74 25.734 -4.967 21.015 1.00 11.86 C ATOM 1062 CD GLN A 74 26.206 -6.283 21.605 1.00 13.14 C ATOM 1063 OE1 GLN A 74 27.283 -6.357 22.193 1.00 15.35 O ATOM 1064 NE2 GLN A 74 25.401 -7.329 21.450 1.00 14.13 N ATOM 1065 HA GLN A 74 26.233 -2.271 20.473 1.00 0.00 H ATOM 1066 HB2 GLN A 74 27.007 -3.792 22.269 1.00 0.00 H ATOM 1067 HB3 GLN A 74 25.330 -3.934 22.844 1.00 0.00 H ATOM 1068 HG2 GLN A 74 24.669 -5.043 20.797 1.00 0.00 H ATOM 1069 HG3 GLN A 74 26.281 -4.781 20.090 1.00 0.00 H ATOM 1070 HE22 GLN A 74 24.498 -7.220 20.945 1.00 0.00 H ATOM 1071 HE21 GLN A 74 25.674 -8.256 21.834 1.00 0.00 H ATOM 1072 H GLN A 74 25.714 -1.474 23.325 1.00 0.00 H ATOM 1073 N SER A 75 23.869 -2.426 19.711 1.00 10.91 N ATOM 1074 CA SER A 75 22.490 -2.358 19.210 1.00 11.19 C ATOM 1075 C SER A 75 21.671 -3.570 19.656 1.00 11.34 C ATOM 1076 O SER A 75 22.154 -4.696 19.602 1.00 11.21 O ATOM 1077 CB SER A 75 22.469 -2.218 17.682 1.00 11.15 C ATOM 1078 OG SER A 75 22.908 -3.398 17.028 1.00 11.08 O ATOM 1079 HA SER A 75 22.027 -1.470 19.641 1.00 0.00 H ATOM 1080 HB2 SER A 75 23.123 -1.394 17.396 1.00 0.00 H ATOM 1081 HB3 SER A 75 21.450 -1.999 17.364 1.00 0.00 H ATOM 1082 HG SER A 75 22.315 -4.151 17.276 1.00 0.00 H ATOM 1083 H SER A 75 24.644 -2.562 19.031 1.00 0.00 H ATOM 1084 N TYR A 76 20.439 -3.333 20.105 1.00 11.64 N ATOM 1085 CA TYR A 76 19.564 -4.426 20.532 1.00 11.97 C ATOM 1086 C TYR A 76 19.100 -5.272 19.353 1.00 12.44 C ATOM 1087 O TYR A 76 18.967 -6.487 19.475 1.00 12.53 O ATOM 1088 CB TYR A 76 18.352 -3.904 21.314 1.00 11.84 C ATOM 1089 CG TYR A 76 18.680 -3.373 22.690 1.00 11.11 C ATOM 1090 CD1 TYR A 76 19.304 -4.177 23.648 1.00 11.08 C ATOM 1091 CD2 TYR A 76 18.352 -2.068 23.044 1.00 11.39 C ATOM 1092 CE1 TYR A 76 19.603 -3.683 24.918 1.00 10.95 C ATOM 1093 CE2 TYR A 76 18.640 -1.569 24.313 1.00 11.40 C ATOM 1094 CZ TYR A 76 19.269 -2.377 25.241 1.00 11.45 C ATOM 1095 OH TYR A 76 19.561 -1.873 26.490 1.00 12.27 O ATOM 1096 HA TYR A 76 20.155 -5.059 21.194 1.00 0.00 H ATOM 1097 HB3 TYR A 76 17.639 -4.721 21.424 1.00 0.00 H ATOM 1098 HB2 TYR A 76 17.894 -3.100 20.738 1.00 0.00 H ATOM 1099 HD2 TYR A 76 17.860 -1.424 22.315 1.00 0.00 H ATOM 1100 HE2 TYR A 76 18.370 -0.545 24.573 1.00 0.00 H ATOM 1101 HE1 TYR A 76 20.096 -4.320 25.652 1.00 0.00 H ATOM 1102 HD1 TYR A 76 19.561 -5.207 23.399 1.00 0.00 H ATOM 1103 HH TYR A 76 18.723 -1.594 26.936 1.00 0.00 H ATOM 1104 H TYR A 76 20.093 -2.353 20.153 1.00 0.00 H ATOM 1105 N SER A 77 18.854 -4.620 18.218 1.00 13.33 N ATOM 1106 CA SER A 77 18.492 -5.316 16.982 1.00 13.80 C ATOM 1107 C SER A 77 19.718 -5.465 16.079 1.00 13.95 C ATOM 1108 O SER A 77 20.663 -4.676 16.173 1.00 14.01 O ATOM 1109 CB SER A 77 17.389 -4.550 16.244 1.00 13.97 C ATOM 1110 OG SER A 77 16.231 -4.390 17.055 1.00 15.25 O ATOM 1111 HA SER A 77 18.120 -6.308 17.239 1.00 0.00 H ATOM 1112 HB2 SER A 77 17.117 -5.100 15.343 1.00 0.00 H ATOM 1113 HB3 SER A 77 17.766 -3.566 15.967 1.00 0.00 H ATOM 1114 HG SER A 77 15.541 -3.893 16.549 1.00 0.00 H ATOM 1115 H SER A 77 18.921 -3.582 18.210 1.00 0.00 H ATOM 1116 N THR A 78 19.707 -6.477 15.213 1.00 13.87 N ATOM 1117 CA THR A 78 20.752 -6.607 14.187 1.00 13.50 C ATOM 1118 C THR A 78 20.575 -5.518 13.126 1.00 13.27 C ATOM 1119 O THR A 78 19.468 -5.027 12.913 1.00 13.33 O ATOM 1120 CB THR A 78 20.770 -8.004 13.517 1.00 13.83 C ATOM 1121 OG1 THR A 78 19.540 -8.229 12.815 1.00 14.28 O ATOM 1122 CG2 THR A 78 20.985 -9.102 14.555 1.00 13.76 C ATOM 1123 HA THR A 78 21.711 -6.487 14.691 1.00 0.00 H ATOM 1124 HB THR A 78 21.598 -8.033 12.809 1.00 0.00 H ATOM 1125 HG1 THR A 78 18.784 -8.183 13.453 1.00 0.00 H ATOM 1126 HG23 THR A 78 21.922 -8.923 15.083 1.00 0.00 H ATOM 1127 HG21 THR A 78 20.159 -9.095 15.266 1.00 0.00 H ATOM 1128 HG22 THR A 78 21.028 -10.070 14.055 1.00 0.00 H ATOM 1129 H THR A 78 18.948 -7.186 15.263 1.00 0.00 H ATOM 1130 N MET A 79 21.673 -5.139 12.478 1.00 12.65 N ATOM 1131 CA MET A 79 21.655 -4.093 11.457 1.00 12.30 C ATOM 1132 C MET A 79 22.320 -4.579 10.173 1.00 12.07 C ATOM 1133 O MET A 79 23.283 -5.346 10.219 1.00 11.87 O ATOM 1134 CB MET A 79 22.356 -2.827 11.969 1.00 12.16 C ATOM 1135 CG MET A 79 21.641 -2.138 13.127 1.00 12.27 C ATOM 1136 SD MET A 79 22.288 -0.484 13.449 1.00 12.50 S ATOM 1137 CE MET A 79 21.033 0.165 14.546 1.00 12.58 C ATOM 1138 HA MET A 79 20.615 -3.852 11.238 1.00 0.00 H ATOM 1139 HB2 MET A 79 23.357 -3.101 12.301 1.00 0.00 H ATOM 1140 HB3 MET A 79 22.429 -2.119 11.143 1.00 0.00 H ATOM 1141 HG2 MET A 79 21.764 -2.743 14.025 1.00 0.00 H ATOM 1142 HG3 MET A 79 20.581 -2.059 12.887 1.00 0.00 H ATOM 1143 HE1 MET A 79 20.070 0.166 14.035 1.00 0.00 H ATOM 1144 HE2 MET A 79 20.972 -0.460 15.437 1.00 0.00 H ATOM 1145 HE3 MET A 79 21.294 1.184 14.833 1.00 0.00 H ATOM 1146 H MET A 79 22.576 -5.603 12.706 1.00 0.00 H ATOM 1147 N SER A 80 21.790 -4.137 9.033 1.00 12.16 N ATOM 1148 CA SER A 80 22.391 -4.410 7.725 1.00 12.09 C ATOM 1149 C SER A 80 23.693 -3.616 7.581 1.00 12.01 C ATOM 1150 O SER A 80 23.691 -2.387 7.683 1.00 12.00 O ATOM 1151 CB SER A 80 21.410 -4.038 6.607 1.00 12.27 C ATOM 1152 OG SER A 80 22.004 -4.156 5.324 1.00 12.91 O ATOM 1153 HA SER A 80 22.616 -5.474 7.647 1.00 0.00 H ATOM 1154 HB2 SER A 80 21.084 -3.008 6.752 1.00 0.00 H ATOM 1155 HB3 SER A 80 20.547 -4.702 6.659 1.00 0.00 H ATOM 1156 HG SER A 80 22.298 -5.091 5.182 1.00 0.00 H ATOM 1157 H SER A 80 20.915 -3.576 9.073 1.00 0.00 H ATOM 1158 N ILE A 81 24.798 -4.327 7.361 1.00 11.91 N ATOM 1159 CA ILE A 81 26.120 -3.701 7.236 1.00 12.12 C ATOM 1160 C ILE A 81 26.923 -4.270 6.058 1.00 12.39 C ATOM 1161 O ILE A 81 26.598 -5.341 5.529 1.00 12.41 O ATOM 1162 CB ILE A 81 26.963 -3.828 8.551 1.00 11.86 C ATOM 1163 CG1 ILE A 81 27.301 -5.299 8.857 1.00 11.93 C ATOM 1164 CG2 ILE A 81 26.245 -3.138 9.731 1.00 11.87 C ATOM 1165 CD1 ILE A 81 28.448 -5.497 9.852 1.00 11.71 C ATOM 1166 HA ILE A 81 25.927 -2.645 7.047 1.00 0.00 H ATOM 1167 HB ILE A 81 27.911 -3.311 8.401 1.00 0.00 H ATOM 1168 HG12 ILE A 81 26.410 -5.775 9.266 1.00 0.00 H ATOM 1169 HG13 ILE A 81 27.574 -5.787 7.921 1.00 0.00 H ATOM 1170 HD11 ILE A 81 29.355 -5.040 9.455 1.00 0.00 H ATOM 1171 HD12 ILE A 81 28.189 -5.028 10.801 1.00 0.00 H ATOM 1172 HD13 ILE A 81 28.614 -6.563 10.006 1.00 0.00 H ATOM 1173 HG21 ILE A 81 26.106 -2.081 9.502 1.00 0.00 H ATOM 1174 HG22 ILE A 81 25.274 -3.608 9.889 1.00 0.00 H ATOM 1175 HG23 ILE A 81 26.850 -3.240 10.632 1.00 0.00 H ATOM 1176 H ILE A 81 24.721 -5.361 7.275 1.00 0.00 H ATOM 1177 N THR A 82 27.967 -3.543 5.659 1.00 12.75 N ATOM 1178 CA THR A 82 28.938 -4.028 4.679 1.00 12.85 C ATOM 1179 C THR A 82 30.352 -3.813 5.217 1.00 13.20 C ATOM 1180 O THR A 82 30.731 -2.686 5.564 1.00 13.12 O ATOM 1181 CB THR A 82 28.788 -3.333 3.300 1.00 12.87 C ATOM 1182 OG1 THR A 82 27.490 -3.601 2.755 1.00 12.97 O ATOM 1183 CG2 THR A 82 29.845 -3.843 2.324 1.00 13.22 C ATOM 1184 HA THR A 82 28.748 -5.090 4.525 1.00 0.00 H ATOM 1185 HB THR A 82 28.917 -2.260 3.445 1.00 0.00 H ATOM 1186 HG1 THR A 82 26.797 -3.256 3.372 1.00 0.00 H ATOM 1187 HG23 THR A 82 30.837 -3.644 2.729 1.00 0.00 H ATOM 1188 HG21 THR A 82 29.718 -4.916 2.181 1.00 0.00 H ATOM 1189 HG22 THR A 82 29.732 -3.332 1.368 1.00 0.00 H ATOM 1190 H THR A 82 28.096 -2.593 6.061 1.00 0.00 H ATOM 1191 N ASP A 83 31.113 -4.903 5.299 1.00 13.85 N ATOM 1192 CA ASP A 83 32.512 -4.856 5.718 1.00 14.53 C ATOM 1193 C ASP A 83 33.437 -4.745 4.511 1.00 14.80 C ATOM 1194 O ASP A 83 33.276 -5.467 3.526 1.00 14.54 O ATOM 1195 CB ASP A 83 32.881 -6.105 6.523 1.00 14.59 C ATOM 1196 CG ASP A 83 32.280 -6.110 7.918 1.00 15.44 C ATOM 1197 OD1 ASP A 83 32.300 -5.062 8.596 1.00 14.73 O ATOM 1198 OD2 ASP A 83 31.807 -7.181 8.346 1.00 16.83 O ATOM 1199 HA ASP A 83 32.637 -3.974 6.347 1.00 0.00 H ATOM 1200 HB2 ASP A 83 32.522 -6.983 5.986 1.00 0.00 H ATOM 1201 HB3 ASP A 83 33.966 -6.154 6.612 1.00 0.00 H ATOM 1202 H ASP A 83 30.695 -5.824 5.055 1.00 0.00 H ATOM 1203 N CYS A 84 34.401 -3.833 4.599 1.00 15.32 N ATOM 1204 CA CYS A 84 35.415 -3.672 3.565 1.00 16.07 C ATOM 1205 C CYS A 84 36.771 -4.075 4.124 1.00 17.28 C ATOM 1206 O CYS A 84 37.236 -3.500 5.108 1.00 17.17 O ATOM 1207 CB CYS A 84 35.448 -2.227 3.069 1.00 15.72 C ATOM 1208 SG CYS A 84 33.895 -1.674 2.344 1.00 14.59 S ATOM 1209 HA CYS A 84 35.171 -4.314 2.718 1.00 0.00 H ATOM 1210 HB2 CYS A 84 36.230 -2.140 2.315 1.00 0.00 H ATOM 1211 HB3 CYS A 84 35.684 -1.579 3.913 1.00 0.00 H ATOM 1212 H CYS A 84 34.432 -3.214 5.434 1.00 0.00 H ATOM 1213 N ARG A 85 37.388 -5.076 3.501 1.00 18.48 N ATOM 1214 CA ARG A 85 38.678 -5.593 3.951 1.00 20.04 C ATOM 1215 C ARG A 85 39.689 -5.566 2.814 1.00 20.70 C ATOM 1216 O ARG A 85 39.426 -6.076 1.721 1.00 20.60 O ATOM 1217 CB ARG A 85 38.524 -7.015 4.497 1.00 20.30 C ATOM 1218 CG ARG A 85 39.749 -7.552 5.235 1.00 22.04 C ATOM 1219 CD ARG A 85 39.384 -8.743 6.108 1.00 24.59 C ATOM 1220 NE ARG A 85 38.347 -8.398 7.082 1.00 26.12 N ATOM 1221 CZ ARG A 85 38.578 -8.038 8.342 1.00 26.53 C ATOM 1222 NH1 ARG A 85 39.818 -7.984 8.813 1.00 27.37 N ATOM 1223 NH2 ARG A 85 37.561 -7.739 9.136 1.00 26.09 N ATOM 1224 HA ARG A 85 39.045 -4.953 4.753 1.00 0.00 H ATOM 1225 HB2 ARG A 85 37.680 -7.024 5.187 1.00 0.00 H ATOM 1226 HB3 ARG A 85 38.314 -7.680 3.659 1.00 0.00 H ATOM 1227 HG2 ARG A 85 40.497 -7.861 4.505 1.00 0.00 H ATOM 1228 HG3 ARG A 85 40.161 -6.762 5.864 1.00 0.00 H ATOM 1229 HD2 ARG A 85 40.274 -9.077 6.641 1.00 0.00 H ATOM 1230 HD3 ARG A 85 39.019 -9.550 5.472 1.00 0.00 H ATOM 1231 HE ARG A 85 37.357 -8.437 6.766 1.00 0.00 H ATOM 1232 HH12 ARG A 85 39.988 -7.701 9.799 1.00 0.00 H ATOM 1233 HH11 ARG A 85 40.620 -8.224 8.196 1.00 0.00 H ATOM 1234 HH22 ARG A 85 37.736 -7.457 10.122 1.00 0.00 H ATOM 1235 HH21 ARG A 85 36.587 -7.786 8.774 1.00 0.00 H ATOM 1236 H ARG A 85 36.937 -5.504 2.667 1.00 0.00 H ATOM 1237 N GLU A 86 40.846 -4.969 3.086 1.00 21.73 N ATOM 1238 CA GLU A 86 41.905 -4.822 2.093 1.00 22.98 C ATOM 1239 C GLU A 86 42.406 -6.184 1.614 1.00 23.52 C ATOM 1240 O GLU A 86 42.644 -7.084 2.423 1.00 23.74 O ATOM 1241 CB GLU A 86 43.061 -4.007 2.674 1.00 23.03 C ATOM 1242 CG GLU A 86 43.869 -3.268 1.626 1.00 23.71 C ATOM 1243 CD GLU A 86 45.179 -2.715 2.158 1.00 24.13 C ATOM 1244 OE1 GLU A 86 45.421 -2.783 3.384 1.00 25.15 O ATOM 1245 OE2 GLU A 86 45.967 -2.208 1.337 1.00 24.41 O ATOM 1246 HA GLU A 86 41.493 -4.294 1.233 1.00 0.00 H ATOM 1247 HB2 GLU A 86 42.652 -3.277 3.372 1.00 0.00 H ATOM 1248 HB3 GLU A 86 43.727 -4.685 3.208 1.00 0.00 H ATOM 1249 HG2 GLU A 86 44.090 -3.956 0.810 1.00 0.00 H ATOM 1250 HG3 GLU A 86 43.271 -2.439 1.249 1.00 0.00 H ATOM 1251 H GLU A 86 41.002 -4.593 4.043 1.00 0.00 H ATOM 1252 N THR A 87 42.547 -6.329 0.298 1.00 24.31 N ATOM 1253 CA THR A 87 43.020 -7.581 -0.301 1.00 25.03 C ATOM 1254 C THR A 87 44.537 -7.718 -0.155 1.00 25.62 C ATOM 1255 O THR A 87 45.220 -6.774 0.256 1.00 25.70 O ATOM 1256 CB THR A 87 42.637 -7.692 -1.800 1.00 24.94 C ATOM 1257 OG1 THR A 87 43.299 -6.663 -2.546 1.00 24.90 O ATOM 1258 CG2 THR A 87 41.127 -7.574 -1.997 1.00 24.99 C ATOM 1259 HA THR A 87 42.527 -8.390 0.239 1.00 0.00 H ATOM 1260 HB THR A 87 42.953 -8.672 -2.158 1.00 0.00 H ATOM 1261 HG1 THR A 87 43.023 -5.777 -2.201 1.00 0.00 H ATOM 1262 HG23 THR A 87 40.625 -8.357 -1.429 1.00 0.00 H ATOM 1263 HG21 THR A 87 40.791 -6.598 -1.647 1.00 0.00 H ATOM 1264 HG22 THR A 87 40.890 -7.683 -3.055 1.00 0.00 H ATOM 1265 H THR A 87 42.314 -5.529 -0.325 1.00 0.00 H ATOM 1266 N GLY A 88 45.055 -8.897 -0.491 1.00 26.39 N ATOM 1267 CA GLY A 88 46.494 -9.153 -0.443 1.00 27.25 C ATOM 1268 C GLY A 88 47.267 -8.412 -1.519 1.00 27.82 C ATOM 1269 O GLY A 88 48.355 -7.892 -1.264 1.00 28.10 O ATOM 1270 HA3 GLY A 88 46.661 -10.223 -0.570 1.00 0.00 H ATOM 1271 HA2 GLY A 88 46.870 -8.841 0.532 1.00 0.00 H ATOM 1272 H GLY A 88 44.417 -9.659 -0.797 1.00 0.00 H ATOM 1273 N SER A 89 46.692 -8.354 -2.719 1.00 28.28 N ATOM 1274 CA SER A 89 47.334 -7.733 -3.879 1.00 28.73 C ATOM 1275 C SER A 89 47.198 -6.208 -3.896 1.00 28.82 C ATOM 1276 O SER A 89 47.765 -5.540 -4.765 1.00 28.91 O ATOM 1277 CB SER A 89 46.763 -8.318 -5.172 1.00 28.75 C ATOM 1278 OG SER A 89 45.393 -7.984 -5.316 1.00 29.44 O ATOM 1279 HA SER A 89 48.398 -7.957 -3.803 1.00 0.00 H ATOM 1280 HB2 SER A 89 46.866 -9.403 -5.149 1.00 0.00 H ATOM 1281 HB3 SER A 89 47.319 -7.919 -6.021 1.00 0.00 H ATOM 1282 HG SER A 89 45.047 -8.373 -6.158 1.00 0.00 H ATOM 1283 H SER A 89 45.745 -8.768 -2.837 1.00 0.00 H ATOM 1284 N SER A 90 46.448 -5.671 -2.936 1.00 29.02 N ATOM 1285 CA SER A 90 46.193 -4.234 -2.830 1.00 29.11 C ATOM 1286 C SER A 90 47.472 -3.432 -2.597 1.00 29.28 C ATOM 1287 O SER A 90 48.241 -3.726 -1.678 1.00 29.36 O ATOM 1288 CB SER A 90 45.192 -3.962 -1.705 1.00 29.09 C ATOM 1289 OG SER A 90 44.980 -2.573 -1.525 1.00 28.62 O ATOM 1290 HA SER A 90 45.775 -3.908 -3.783 1.00 0.00 H ATOM 1291 HB2 SER A 90 45.577 -4.385 -0.777 1.00 0.00 H ATOM 1292 HB3 SER A 90 44.243 -4.437 -1.953 1.00 0.00 H ATOM 1293 HG SER A 90 44.329 -2.432 -0.792 1.00 0.00 H ATOM 1294 H SER A 90 46.023 -6.303 -2.228 1.00 0.00 H ATOM 1295 N LYS A 91 47.689 -2.425 -3.441 1.00 29.47 N ATOM 1296 CA LYS A 91 48.843 -1.535 -3.321 1.00 29.74 C ATOM 1297 C LYS A 91 48.442 -0.080 -3.555 1.00 29.69 C ATOM 1298 O LYS A 91 47.944 0.266 -4.628 1.00 29.78 O ATOM 1299 CB LYS A 91 49.954 -1.934 -4.306 1.00 29.89 C ATOM 1300 CG LYS A 91 50.572 -3.315 -4.081 1.00 30.39 C ATOM 1301 CD LYS A 91 51.455 -3.357 -2.843 1.00 31.36 C ATOM 1302 CE LYS A 91 52.031 -4.748 -2.629 1.00 31.80 C ATOM 1303 NZ LYS A 91 52.865 -4.825 -1.397 1.00 32.35 N ATOM 1304 HA LYS A 91 49.225 -1.633 -2.305 1.00 0.00 H ATOM 1305 HB2 LYS A 91 49.534 -1.914 -5.312 1.00 0.00 H ATOM 1306 HB3 LYS A 91 50.750 -1.194 -4.231 1.00 0.00 H ATOM 1307 HG2 LYS A 91 49.770 -4.044 -3.965 1.00 0.00 H ATOM 1308 HG3 LYS A 91 51.175 -3.576 -4.951 1.00 0.00 H ATOM 1309 HD2 LYS A 91 52.273 -2.647 -2.965 1.00 0.00 H ATOM 1310 HD3 LYS A 91 50.861 -3.079 -1.972 1.00 0.00 H ATOM 1311 HE2 LYS A 91 52.648 -5.009 -3.489 1.00 0.00 H ATOM 1312 HE3 LYS A 91 51.210 -5.460 -2.543 1.00 0.00 H ATOM 1313 HZ1 LYS A 91 53.656 -4.154 -1.473 1.00 0.00 H ATOM 1314 HZ2 LYS A 91 52.282 -4.584 -0.570 1.00 0.00 H ATOM 1315 HZ3 LYS A 91 53.237 -5.791 -1.291 1.00 0.00 H ATOM 1316 H LYS A 91 47.012 -2.266 -4.214 1.00 0.00 H ATOM 1317 N TYR A 92 48.662 0.756 -2.540 1.00 29.69 N ATOM 1318 CA TYR A 92 48.443 2.205 -2.617 1.00 29.70 C ATOM 1319 C TYR A 92 49.201 2.797 -3.812 1.00 29.54 C ATOM 1320 O TYR A 92 50.346 2.412 -4.056 1.00 29.64 O ATOM 1321 CB TYR A 92 48.903 2.858 -1.306 1.00 29.73 C ATOM 1322 CG TYR A 92 48.701 4.358 -1.218 1.00 30.28 C ATOM 1323 CD1 TYR A 92 47.515 4.893 -0.716 1.00 30.53 C ATOM 1324 CD2 TYR A 92 49.702 5.242 -1.622 1.00 30.44 C ATOM 1325 CE1 TYR A 92 47.326 6.271 -0.628 1.00 30.87 C ATOM 1326 CE2 TYR A 92 49.524 6.621 -1.538 1.00 30.82 C ATOM 1327 CZ TYR A 92 48.336 7.128 -1.039 1.00 31.15 C ATOM 1328 OH TYR A 92 48.158 8.492 -0.954 1.00 31.19 O ATOM 1329 HA TYR A 92 47.381 2.403 -2.761 1.00 0.00 H ATOM 1330 HB3 TYR A 92 49.967 2.654 -1.184 1.00 0.00 H ATOM 1331 HB2 TYR A 92 48.350 2.396 -0.488 1.00 0.00 H ATOM 1332 HD2 TYR A 92 50.640 4.846 -2.010 1.00 0.00 H ATOM 1333 HE2 TYR A 92 50.315 7.297 -1.863 1.00 0.00 H ATOM 1334 HE1 TYR A 92 46.390 6.673 -0.239 1.00 0.00 H ATOM 1335 HD1 TYR A 92 46.722 4.222 -0.387 1.00 0.00 H ATOM 1336 HH TYR A 92 47.262 8.684 -0.579 1.00 0.00 H ATOM 1337 H TYR A 92 49.008 0.359 -1.643 1.00 0.00 H ATOM 1338 N PRO A 93 48.578 3.736 -4.561 1.00 29.37 N ATOM 1339 CA PRO A 93 47.269 4.374 -4.365 1.00 29.19 C ATOM 1340 C PRO A 93 46.060 3.556 -4.838 1.00 28.87 C ATOM 1341 O PRO A 93 44.921 3.957 -4.590 1.00 29.04 O ATOM 1342 CB PRO A 93 47.389 5.657 -5.192 1.00 29.19 C ATOM 1343 CG PRO A 93 48.293 5.284 -6.305 1.00 29.25 C ATOM 1344 CD PRO A 93 49.268 4.280 -5.747 1.00 29.42 C ATOM 1345 HA PRO A 93 47.073 4.514 -3.302 1.00 0.00 H ATOM 1346 HD3 PRO A 93 49.472 3.493 -6.473 1.00 0.00 H ATOM 1347 HD2 PRO A 93 50.203 4.763 -5.464 1.00 0.00 H ATOM 1348 HG3 PRO A 93 48.825 6.163 -6.669 1.00 0.00 H ATOM 1349 HG2 PRO A 93 47.723 4.842 -7.122 1.00 0.00 H ATOM 1350 HB2 PRO A 93 46.415 5.966 -5.571 1.00 0.00 H ATOM 1351 HB3 PRO A 93 47.819 6.463 -4.597 1.00 0.00 H ATOM 1352 N ASN A 94 46.301 2.431 -5.508 1.00 28.50 N ATOM 1353 CA ASN A 94 45.216 1.576 -5.991 1.00 27.97 C ATOM 1354 C ASN A 94 44.764 0.574 -4.931 1.00 27.32 C ATOM 1355 O ASN A 94 44.985 -0.633 -5.063 1.00 27.40 O ATOM 1356 CB ASN A 94 45.613 0.853 -7.284 1.00 28.25 C ATOM 1357 CG ASN A 94 45.908 1.810 -8.421 1.00 28.74 C ATOM 1358 OD1 ASN A 94 47.040 2.268 -8.584 1.00 29.92 O ATOM 1359 ND2 ASN A 94 44.893 2.105 -9.225 1.00 29.70 N ATOM 1360 HA ASN A 94 44.370 2.228 -6.208 1.00 0.00 H ATOM 1361 HB2 ASN A 94 46.504 0.255 -7.091 1.00 0.00 H ATOM 1362 HB3 ASN A 94 44.795 0.197 -7.583 1.00 0.00 H ATOM 1363 HD22 ASN A 94 43.954 1.695 -9.049 1.00 0.00 H ATOM 1364 HD21 ASN A 94 45.037 2.746 -10.031 1.00 0.00 H ATOM 1365 H ASN A 94 47.286 2.153 -5.693 1.00 0.00 H ATOM 1366 N CYS A 95 44.130 1.084 -3.878 1.00 26.38 N ATOM 1367 CA CYS A 95 43.659 0.243 -2.783 1.00 25.49 C ATOM 1368 C CYS A 95 42.520 -0.661 -3.247 1.00 24.69 C ATOM 1369 O CYS A 95 41.577 -0.203 -3.894 1.00 24.70 O ATOM 1370 CB CYS A 95 43.222 1.099 -1.594 1.00 25.63 C ATOM 1371 SG CYS A 95 44.507 2.228 -1.002 1.00 26.13 S ATOM 1372 HA CYS A 95 44.485 -0.391 -2.460 1.00 0.00 H ATOM 1373 HB2 CYS A 95 42.942 0.435 -0.776 1.00 0.00 H ATOM 1374 HB3 CYS A 95 42.356 1.689 -1.894 1.00 0.00 H ATOM 1375 H CYS A 95 43.966 2.110 -3.835 1.00 0.00 H ATOM 1376 N ALA A 96 42.628 -1.945 -2.920 1.00 23.73 N ATOM 1377 CA ALA A 96 41.666 -2.948 -3.373 1.00 22.63 C ATOM 1378 C ALA A 96 41.032 -3.671 -2.191 1.00 21.85 C ATOM 1379 O ALA A 96 41.715 -4.020 -1.225 1.00 21.61 O ATOM 1380 CB ALA A 96 42.334 -3.936 -4.323 1.00 22.73 C ATOM 1381 HA ALA A 96 40.870 -2.437 -3.915 1.00 0.00 H ATOM 1382 HB1 ALA A 96 42.722 -3.400 -5.189 1.00 0.00 H ATOM 1383 HB2 ALA A 96 43.153 -4.437 -3.807 1.00 0.00 H ATOM 1384 HB3 ALA A 96 41.603 -4.675 -4.650 1.00 0.00 H ATOM 1385 H ALA A 96 43.424 -2.246 -2.322 1.00 0.00 H ATOM 1386 N TYR A 97 39.722 -3.891 -2.282 1.00 20.86 N ATOM 1387 CA TYR A 97 38.938 -4.395 -1.156 1.00 19.92 C ATOM 1388 C TYR A 97 38.008 -5.544 -1.505 1.00 19.62 C ATOM 1389 O TYR A 97 37.446 -5.601 -2.599 1.00 19.48 O ATOM 1390 CB TYR A 97 38.105 -3.262 -0.547 1.00 19.76 C ATOM 1391 CG TYR A 97 38.933 -2.189 0.108 1.00 19.14 C ATOM 1392 CD1 TYR A 97 39.338 -1.063 -0.605 1.00 19.05 C ATOM 1393 CD2 TYR A 97 39.322 -2.306 1.438 1.00 19.08 C ATOM 1394 CE1 TYR A 97 40.113 -0.075 -0.008 1.00 18.71 C ATOM 1395 CE2 TYR A 97 40.097 -1.328 2.045 1.00 18.98 C ATOM 1396 CZ TYR A 97 40.489 -0.216 1.319 1.00 18.84 C ATOM 1397 OH TYR A 97 41.256 0.755 1.919 1.00 19.14 O ATOM 1398 HA TYR A 97 39.669 -4.781 -0.445 1.00 0.00 H ATOM 1399 HB3 TYR A 97 37.438 -3.689 0.202 1.00 0.00 H ATOM 1400 HB2 TYR A 97 37.513 -2.805 -1.340 1.00 0.00 H ATOM 1401 HD2 TYR A 97 39.013 -3.179 2.013 1.00 0.00 H ATOM 1402 HE2 TYR A 97 40.396 -1.435 3.088 1.00 0.00 H ATOM 1403 HE1 TYR A 97 40.422 0.802 -0.578 1.00 0.00 H ATOM 1404 HD1 TYR A 97 39.042 -0.955 -1.649 1.00 0.00 H ATOM 1405 HH TYR A 97 40.765 1.131 2.692 1.00 0.00 H ATOM 1406 H TYR A 97 39.241 -3.698 -3.184 1.00 0.00 H ATOM 1407 N LYS A 98 37.855 -6.452 -0.548 1.00 19.19 N ATOM 1408 CA LYS A 98 36.815 -7.466 -0.581 1.00 18.99 C ATOM 1409 C LYS A 98 35.564 -6.884 0.077 1.00 18.56 C ATOM 1410 O LYS A 98 35.655 -6.231 1.119 1.00 18.60 O ATOM 1411 CB LYS A 98 37.288 -8.716 0.162 1.00 19.20 C ATOM 1412 CG LYS A 98 36.256 -9.828 0.297 1.00 20.03 C ATOM 1413 CD LYS A 98 36.860 -11.057 0.976 1.00 22.16 C ATOM 1414 CE LYS A 98 37.267 -10.787 2.426 1.00 23.53 C ATOM 1415 NZ LYS A 98 36.095 -10.673 3.343 1.00 25.10 N ATOM 1416 HA LYS A 98 36.589 -7.752 -1.608 1.00 0.00 H ATOM 1417 HB2 LYS A 98 38.149 -9.119 -0.372 1.00 0.00 H ATOM 1418 HB3 LYS A 98 37.592 -8.416 1.165 1.00 0.00 H ATOM 1419 HG2 LYS A 98 35.418 -9.467 0.893 1.00 0.00 H ATOM 1420 HG3 LYS A 98 35.901 -10.107 -0.695 1.00 0.00 H ATOM 1421 HD2 LYS A 98 36.124 -11.860 0.964 1.00 0.00 H ATOM 1422 HD3 LYS A 98 37.743 -11.367 0.417 1.00 0.00 H ATOM 1423 HE2 LYS A 98 37.830 -9.854 2.462 1.00 0.00 H ATOM 1424 HE3 LYS A 98 37.900 -11.606 2.769 1.00 0.00 H ATOM 1425 HZ1 LYS A 98 35.487 -9.889 3.031 1.00 0.00 H ATOM 1426 HZ2 LYS A 98 35.554 -11.561 3.324 1.00 0.00 H ATOM 1427 HZ3 LYS A 98 36.430 -10.490 4.311 1.00 0.00 H ATOM 1428 H LYS A 98 38.509 -6.437 0.261 1.00 0.00 H ATOM 1429 N THR A 99 34.410 -7.112 -0.547 1.00 18.05 N ATOM 1430 CA THR A 99 33.123 -6.627 -0.044 1.00 17.41 C ATOM 1431 C THR A 99 32.311 -7.788 0.540 1.00 17.57 C ATOM 1432 O THR A 99 32.052 -8.776 -0.149 1.00 17.38 O ATOM 1433 CB THR A 99 32.316 -5.929 -1.174 1.00 17.42 C ATOM 1434 OG1 THR A 99 33.022 -4.762 -1.620 1.00 16.53 O ATOM 1435 CG2 THR A 99 30.929 -5.518 -0.697 1.00 16.78 C ATOM 1436 HA THR A 99 33.317 -5.898 0.742 1.00 0.00 H ATOM 1437 HB THR A 99 32.203 -6.640 -1.992 1.00 0.00 H ATOM 1438 HG1 THR A 99 33.135 -4.136 -0.861 1.00 0.00 H ATOM 1439 HG23 THR A 99 30.387 -6.400 -0.357 1.00 0.00 H ATOM 1440 HG21 THR A 99 31.024 -4.809 0.125 1.00 0.00 H ATOM 1441 HG22 THR A 99 30.387 -5.052 -1.520 1.00 0.00 H ATOM 1442 H THR A 99 34.423 -7.659 -1.431 1.00 0.00 H ATOM 1443 N THR A 100 31.911 -7.664 1.805 1.00 17.28 N ATOM 1444 CA THR A 100 31.085 -8.687 2.448 1.00 17.63 C ATOM 1445 C THR A 100 29.897 -8.065 3.182 1.00 17.60 C ATOM 1446 O THR A 100 30.078 -7.258 4.093 1.00 17.79 O ATOM 1447 CB THR A 100 31.909 -9.570 3.425 1.00 17.64 C ATOM 1448 OG1 THR A 100 33.084 -10.055 2.767 1.00 17.89 O ATOM 1449 CG2 THR A 100 31.084 -10.762 3.908 1.00 17.84 C ATOM 1450 HA THR A 100 30.707 -9.327 1.651 1.00 0.00 H ATOM 1451 HB THR A 100 32.186 -8.958 4.283 1.00 0.00 H ATOM 1452 HG1 THR A 100 33.637 -9.288 2.473 1.00 0.00 H ATOM 1453 HG23 THR A 100 30.187 -10.401 4.411 1.00 0.00 H ATOM 1454 HG21 THR A 100 30.801 -11.377 3.053 1.00 0.00 H ATOM 1455 HG22 THR A 100 31.678 -11.355 4.603 1.00 0.00 H ATOM 1456 H THR A 100 32.192 -6.822 2.347 1.00 0.00 H ATOM 1457 N GLN A 101 28.690 -8.445 2.762 1.00 17.67 N ATOM 1458 CA GLN A 101 27.449 -8.044 3.427 1.00 17.71 C ATOM 1459 C GLN A 101 27.195 -8.908 4.653 1.00 17.36 C ATOM 1460 O GLN A 101 27.515 -10.100 4.658 1.00 17.48 O ATOM 1461 CB GLN A 101 26.255 -8.196 2.481 1.00 18.03 C ATOM 1462 CG GLN A 101 26.204 -7.204 1.332 1.00 19.56 C ATOM 1463 CD GLN A 101 25.203 -7.599 0.252 1.00 21.52 C ATOM 1464 OE1 GLN A 101 25.117 -6.947 -0.781 1.00 23.77 O ATOM 1465 NE2 GLN A 101 24.453 -8.676 0.482 1.00 23.23 N ATOM 1466 HA GLN A 101 27.559 -7.001 3.722 1.00 0.00 H ATOM 1467 HB2 GLN A 101 26.287 -9.200 2.058 1.00 0.00 H ATOM 1468 HB3 GLN A 101 25.344 -8.079 3.068 1.00 0.00 H ATOM 1469 HG2 GLN A 101 25.923 -6.228 1.727 1.00 0.00 H ATOM 1470 HG3 GLN A 101 27.195 -7.141 0.882 1.00 0.00 H ATOM 1471 HE22 GLN A 101 24.558 -9.202 1.373 1.00 0.00 H ATOM 1472 HE21 GLN A 101 23.763 -8.991 -0.230 1.00 0.00 H ATOM 1473 H GLN A 101 28.627 -9.055 1.922 1.00 0.00 H ATOM 1474 N ALA A 102 26.605 -8.302 5.681 1.00 16.72 N ATOM 1475 CA ALA A 102 26.237 -9.008 6.908 1.00 16.29 C ATOM 1476 C ALA A 102 25.028 -8.373 7.592 1.00 15.91 C ATOM 1477 O ALA A 102 24.662 -7.228 7.306 1.00 15.51 O ATOM 1478 CB ALA A 102 27.424 -9.057 7.873 1.00 16.45 C ATOM 1479 HA ALA A 102 25.961 -10.024 6.627 1.00 0.00 H ATOM 1480 HB1 ALA A 102 28.255 -9.579 7.399 1.00 0.00 H ATOM 1481 HB2 ALA A 102 27.728 -8.041 8.125 1.00 0.00 H ATOM 1482 HB3 ALA A 102 27.132 -9.586 8.780 1.00 0.00 H ATOM 1483 H ALA A 102 26.397 -7.286 5.609 1.00 0.00 H ATOM 1484 N ASN A 103 24.412 -9.137 8.490 1.00 15.54 N ATOM 1485 CA ASN A 103 23.388 -8.631 9.398 1.00 15.37 C ATOM 1486 C ASN A 103 23.819 -8.946 10.820 1.00 14.85 C ATOM 1487 O ASN A 103 23.789 -10.102 11.245 1.00 14.68 O ATOM 1488 CB ASN A 103 22.026 -9.255 9.093 1.00 15.81 C ATOM 1489 CG ASN A 103 21.454 -8.782 7.782 1.00 16.85 C ATOM 1490 OD1 ASN A 103 21.565 -9.467 6.763 1.00 19.67 O ATOM 1491 ND2 ASN A 103 20.851 -7.598 7.789 1.00 18.57 N ATOM 1492 HA ASN A 103 23.282 -7.554 9.270 1.00 0.00 H ATOM 1493 HB2 ASN A 103 22.138 -10.339 9.055 1.00 0.00 H ATOM 1494 HB3 ASN A 103 21.334 -8.991 9.892 1.00 0.00 H ATOM 1495 HD22 ASN A 103 20.781 -7.055 8.673 1.00 0.00 H ATOM 1496 HD21 ASN A 103 20.449 -7.214 6.910 1.00 0.00 H ATOM 1497 H ASN A 103 24.673 -10.142 8.548 1.00 0.00 H ATOM 1498 N LYS A 104 24.252 -7.913 11.540 1.00 14.20 N ATOM 1499 CA LYS A 104 24.883 -8.090 12.846 1.00 13.83 C ATOM 1500 C LYS A 104 24.555 -6.947 13.799 1.00 13.28 C ATOM 1501 O LYS A 104 24.147 -5.864 13.372 1.00 12.87 O ATOM 1502 CB LYS A 104 26.406 -8.209 12.684 1.00 13.95 C ATOM 1503 CG LYS A 104 26.874 -9.569 12.183 1.00 14.99 C ATOM 1504 CD LYS A 104 28.372 -9.619 11.962 1.00 16.72 C ATOM 1505 CE LYS A 104 28.791 -11.001 11.483 1.00 18.08 C ATOM 1506 NZ LYS A 104 30.234 -11.068 11.106 1.00 19.66 N ATOM 1507 HA LYS A 104 24.485 -9.008 13.278 1.00 0.00 H ATOM 1508 HB2 LYS A 104 26.735 -7.450 11.974 1.00 0.00 H ATOM 1509 HB3 LYS A 104 26.869 -8.023 13.653 1.00 0.00 H ATOM 1510 HG2 LYS A 104 26.603 -10.326 12.919 1.00 0.00 H ATOM 1511 HG3 LYS A 104 26.373 -9.786 11.239 1.00 0.00 H ATOM 1512 HD2 LYS A 104 28.650 -8.879 11.212 1.00 0.00 H ATOM 1513 HD3 LYS A 104 28.881 -9.393 12.899 1.00 0.00 H ATOM 1514 HE2 LYS A 104 28.190 -11.266 10.613 1.00 0.00 H ATOM 1515 HE3 LYS A 104 28.606 -11.718 12.282 1.00 0.00 H ATOM 1516 HZ1 LYS A 104 30.422 -10.393 10.337 1.00 0.00 H ATOM 1517 HZ2 LYS A 104 30.818 -10.826 11.932 1.00 0.00 H ATOM 1518 HZ3 LYS A 104 30.464 -12.031 10.788 1.00 0.00 H ATOM 1519 H LYS A 104 24.138 -6.951 11.161 1.00 0.00 H ATOM 1520 N HIS A 105 24.728 -7.198 15.095 1.00 12.70 N ATOM 1521 CA HIS A 105 24.668 -6.129 16.083 1.00 12.27 C ATOM 1522 C HIS A 105 25.924 -5.286 15.934 1.00 11.71 C ATOM 1523 O HIS A 105 27.010 -5.824 15.701 1.00 11.81 O ATOM 1524 CB HIS A 105 24.574 -6.692 17.502 1.00 12.68 C ATOM 1525 CG HIS A 105 23.359 -7.537 17.735 1.00 13.45 C ATOM 1526 ND1 HIS A 105 23.393 -8.914 17.695 1.00 15.72 N ATOM 1527 CD2 HIS A 105 22.075 -7.199 17.995 1.00 13.84 C ATOM 1528 CE1 HIS A 105 22.182 -9.388 17.932 1.00 14.77 C ATOM 1529 NE2 HIS A 105 21.363 -8.368 18.111 1.00 15.62 N ATOM 1530 HA HIS A 105 23.777 -5.524 15.915 1.00 0.00 H ATOM 1531 HB2 HIS A 105 25.458 -7.301 17.690 1.00 0.00 H ATOM 1532 HB3 HIS A 105 24.553 -5.858 18.203 1.00 0.00 H ATOM 1533 HD2 HIS A 105 21.679 -6.188 18.094 1.00 0.00 H ATOM 1534 HE1 HIS A 105 21.906 -10.442 17.973 1.00 0.00 H ATOM 1535 H HIS A 105 24.909 -8.173 15.407 1.00 0.00 H ATOM 1536 N ILE A 106 25.775 -3.968 16.036 1.00 10.94 N ATOM 1537 CA ILE A 106 26.933 -3.068 15.951 1.00 10.43 C ATOM 1538 C ILE A 106 27.287 -2.492 17.319 1.00 9.83 C ATOM 1539 O ILE A 106 26.420 -2.345 18.180 1.00 9.73 O ATOM 1540 CB ILE A 106 26.751 -1.932 14.887 1.00 10.45 C ATOM 1541 CG1 ILE A 106 25.644 -0.940 15.285 1.00 11.29 C ATOM 1542 CG2 ILE A 106 26.504 -2.530 13.504 1.00 11.07 C ATOM 1543 CD1 ILE A 106 25.718 0.417 14.561 1.00 11.65 C ATOM 1544 HA ILE A 106 27.769 -3.677 15.608 1.00 0.00 H ATOM 1545 HB ILE A 106 27.678 -1.360 14.848 1.00 0.00 H ATOM 1546 HG12 ILE A 106 24.680 -1.396 15.059 1.00 0.00 H ATOM 1547 HG13 ILE A 106 25.717 -0.759 16.357 1.00 0.00 H ATOM 1548 HD11 ILE A 106 26.671 0.896 14.785 1.00 0.00 H ATOM 1549 HD12 ILE A 106 25.634 0.259 13.486 1.00 0.00 H ATOM 1550 HD13 ILE A 106 24.901 1.054 14.901 1.00 0.00 H ATOM 1551 HG21 ILE A 106 27.355 -3.149 13.220 1.00 0.00 H ATOM 1552 HG22 ILE A 106 25.601 -3.140 13.529 1.00 0.00 H ATOM 1553 HG23 ILE A 106 26.380 -1.726 12.779 1.00 0.00 H ATOM 1554 H ILE A 106 24.825 -3.569 16.178 1.00 0.00 H ATOM 1555 N ILE A 107 28.570 -2.193 17.516 1.00 9.16 N ATOM 1556 CA ILE A 107 29.040 -1.524 18.729 1.00 8.81 C ATOM 1557 C ILE A 107 29.714 -0.203 18.348 1.00 8.70 C ATOM 1558 O ILE A 107 30.671 -0.189 17.573 1.00 8.70 O ATOM 1559 CB ILE A 107 30.012 -2.415 19.546 1.00 8.58 C ATOM 1560 CG1 ILE A 107 29.311 -3.703 20.008 1.00 8.58 C ATOM 1561 CG2 ILE A 107 30.585 -1.641 20.738 1.00 8.93 C ATOM 1562 CD1 ILE A 107 30.256 -4.746 20.597 1.00 8.87 C ATOM 1563 HA ILE A 107 28.178 -1.329 19.367 1.00 0.00 H ATOM 1564 HB ILE A 107 30.843 -2.698 18.899 1.00 0.00 H ATOM 1565 HG12 ILE A 107 28.575 -3.440 20.767 1.00 0.00 H ATOM 1566 HG13 ILE A 107 28.804 -4.145 19.150 1.00 0.00 H ATOM 1567 HD11 ILE A 107 30.993 -5.031 19.847 1.00 0.00 H ATOM 1568 HD12 ILE A 107 30.763 -4.326 21.465 1.00 0.00 H ATOM 1569 HD13 ILE A 107 29.684 -5.624 20.898 1.00 0.00 H ATOM 1570 HG21 ILE A 107 31.127 -0.768 20.376 1.00 0.00 H ATOM 1571 HG22 ILE A 107 29.770 -1.321 21.387 1.00 0.00 H ATOM 1572 HG23 ILE A 107 31.264 -2.286 21.296 1.00 0.00 H ATOM 1573 H ILE A 107 29.262 -2.444 16.781 1.00 0.00 H ATOM 1574 N VAL A 108 29.189 0.900 18.880 1.00 8.69 N ATOM 1575 CA VAL A 108 29.727 2.238 18.608 1.00 8.50 C ATOM 1576 C VAL A 108 30.096 2.960 19.907 1.00 8.48 C ATOM 1577 O VAL A 108 29.529 2.673 20.967 1.00 8.72 O ATOM 1578 CB VAL A 108 28.732 3.119 17.784 1.00 8.66 C ATOM 1579 CG1 VAL A 108 28.482 2.519 16.399 1.00 8.37 C ATOM 1580 CG2 VAL A 108 27.408 3.318 18.532 1.00 8.63 C ATOM 1581 HA VAL A 108 30.627 2.093 18.010 1.00 0.00 H ATOM 1582 HB VAL A 108 29.195 4.097 17.654 1.00 0.00 H ATOM 1583 HG11 VAL A 108 29.425 2.456 15.856 1.00 0.00 H ATOM 1584 HG12 VAL A 108 28.057 1.521 16.508 1.00 0.00 H ATOM 1585 HG13 VAL A 108 27.786 3.154 15.850 1.00 0.00 H ATOM 1586 HG21 VAL A 108 26.944 2.348 18.712 1.00 0.00 H ATOM 1587 HG22 VAL A 108 27.601 3.812 19.484 1.00 0.00 H ATOM 1588 HG23 VAL A 108 26.741 3.935 17.930 1.00 0.00 H ATOM 1589 H VAL A 108 28.368 0.809 19.511 1.00 0.00 H ATOM 1590 N ALA A 109 31.055 3.880 19.819 1.00 8.35 N ATOM 1591 CA ALA A 109 31.379 4.772 20.931 1.00 8.47 C ATOM 1592 C ALA A 109 30.685 6.110 20.709 1.00 8.86 C ATOM 1593 O ALA A 109 30.670 6.622 19.591 1.00 8.61 O ATOM 1594 CB ALA A 109 32.875 4.971 21.040 1.00 8.56 C ATOM 1595 HA ALA A 109 31.031 4.326 21.863 1.00 0.00 H ATOM 1596 HB1 ALA A 109 33.357 4.008 21.209 1.00 0.00 H ATOM 1597 HB2 ALA A 109 33.250 5.410 20.115 1.00 0.00 H ATOM 1598 HB3 ALA A 109 33.092 5.638 21.874 1.00 0.00 H ATOM 1599 H ALA A 109 31.590 3.967 18.931 1.00 0.00 H ATOM 1600 N CYS A 110 30.129 6.674 21.778 1.00 9.07 N ATOM 1601 CA CYS A 110 29.395 7.938 21.696 1.00 9.60 C ATOM 1602 C CYS A 110 30.017 9.032 22.568 1.00 9.82 C ATOM 1603 O CYS A 110 30.604 8.754 23.618 1.00 9.61 O ATOM 1604 CB CYS A 110 27.921 7.729 22.053 1.00 9.66 C ATOM 1605 SG CYS A 110 27.097 6.445 21.089 1.00 9.83 S ATOM 1606 HA CYS A 110 29.461 8.281 20.664 1.00 0.00 H ATOM 1607 HB2 CYS A 110 27.394 8.669 21.891 1.00 0.00 H ATOM 1608 HB3 CYS A 110 27.860 7.457 23.107 1.00 0.00 H ATOM 1609 H CYS A 110 30.219 6.202 22.701 1.00 0.00 H ATOM 1610 N GLU A 111 29.889 10.276 22.110 1.00 10.23 N ATOM 1611 CA GLU A 111 30.461 11.438 22.793 1.00 10.73 C ATOM 1612 C GLU A 111 29.656 12.689 22.485 1.00 11.11 C ATOM 1613 O GLU A 111 28.989 12.767 21.447 1.00 11.27 O ATOM 1614 CB GLU A 111 31.894 11.694 22.319 1.00 10.84 C ATOM 1615 CG GLU A 111 32.957 10.777 22.894 1.00 12.38 C ATOM 1616 CD GLU A 111 34.344 11.366 22.750 1.00 14.45 C ATOM 1617 OE1 GLU A 111 34.944 11.723 23.780 1.00 16.84 O ATOM 1618 OE2 GLU A 111 34.823 11.506 21.610 1.00 16.35 O ATOM 1619 HA GLU A 111 30.444 11.223 23.861 1.00 0.00 H ATOM 1620 HB2 GLU A 111 31.911 11.587 21.234 1.00 0.00 H ATOM 1621 HB3 GLU A 111 32.156 12.718 22.586 1.00 0.00 H ATOM 1622 HG2 GLU A 111 32.750 10.616 23.952 1.00 0.00 H ATOM 1623 HG3 GLU A 111 32.922 9.823 22.369 1.00 0.00 H ATOM 1624 H GLU A 111 29.359 10.429 21.228 1.00 0.00 H ATOM 1625 N GLY A 112 29.745 13.667 23.386 1.00 11.49 N ATOM 1626 CA GLY A 112 29.280 15.025 23.121 1.00 12.45 C ATOM 1627 C GLY A 112 27.873 15.365 23.566 1.00 13.16 C ATOM 1628 O GLY A 112 27.187 14.559 24.204 1.00 13.01 O ATOM 1629 HA3 GLY A 112 29.334 15.188 22.045 1.00 0.00 H ATOM 1630 HA2 GLY A 112 29.960 15.711 23.626 1.00 0.00 H ATOM 1631 H GLY A 112 30.162 13.454 24.315 1.00 0.00 H ATOM 1632 N ASN A 113 27.467 16.592 23.240 1.00 13.88 N ATOM 1633 CA ASN A 113 26.100 17.061 23.419 1.00 14.73 C ATOM 1634 C ASN A 113 25.642 17.786 22.147 1.00 14.71 C ATOM 1635 O ASN A 113 26.053 18.929 21.907 1.00 15.30 O ATOM 1636 CB ASN A 113 25.995 17.976 24.647 1.00 15.03 C ATOM 1637 CG ASN A 113 24.610 18.588 24.810 1.00 16.28 C ATOM 1638 OD1 ASN A 113 23.601 17.990 24.437 1.00 17.47 O ATOM 1639 ND2 ASN A 113 24.561 19.791 25.373 1.00 18.81 N ATOM 1640 HA ASN A 113 25.446 16.207 23.593 1.00 0.00 H ATOM 1641 HB2 ASN A 113 26.225 17.392 25.538 1.00 0.00 H ATOM 1642 HB3 ASN A 113 26.722 18.781 24.545 1.00 0.00 H ATOM 1643 HD22 ASN A 113 25.439 20.261 25.674 1.00 0.00 H ATOM 1644 HD21 ASN A 113 23.645 20.263 25.513 1.00 0.00 H ATOM 1645 H ASN A 113 28.164 17.250 22.836 1.00 0.00 H ATOM 1646 N PRO A 114 24.790 17.136 21.328 1.00 14.56 N ATOM 1647 CA PRO A 114 24.114 15.850 21.552 1.00 14.07 C ATOM 1648 C PRO A 114 25.048 14.639 21.598 1.00 13.58 C ATOM 1649 O PRO A 114 26.109 14.643 20.973 1.00 13.25 O ATOM 1650 CB PRO A 114 23.167 15.739 20.353 1.00 14.33 C ATOM 1651 CG PRO A 114 23.812 16.550 19.291 1.00 14.90 C ATOM 1652 CD PRO A 114 24.492 17.680 19.989 1.00 14.59 C ATOM 1653 HA PRO A 114 23.627 15.838 22.527 1.00 0.00 H ATOM 1654 HD3 PRO A 114 25.409 17.962 19.471 1.00 0.00 H ATOM 1655 HD2 PRO A 114 23.834 18.546 20.059 1.00 0.00 H ATOM 1656 HG3 PRO A 114 23.062 16.930 18.597 1.00 0.00 H ATOM 1657 HG2 PRO A 114 24.540 15.949 18.745 1.00 0.00 H ATOM 1658 HB2 PRO A 114 23.066 14.701 20.037 1.00 0.00 H ATOM 1659 HB3 PRO A 114 22.184 16.140 20.600 1.00 0.00 H ATOM 1660 N TYR A 115 24.635 13.624 22.351 1.00 12.58 N ATOM 1661 CA TYR A 115 25.401 12.389 22.530 1.00 12.02 C ATOM 1662 C TYR A 115 25.207 11.500 21.307 1.00 11.66 C ATOM 1663 O TYR A 115 24.161 10.871 21.145 1.00 11.88 O ATOM 1664 CB TYR A 115 24.928 11.690 23.806 1.00 11.98 C ATOM 1665 CG TYR A 115 25.878 10.678 24.413 1.00 11.61 C ATOM 1666 CD1 TYR A 115 27.146 11.055 24.866 1.00 11.84 C ATOM 1667 CD2 TYR A 115 25.482 9.353 24.588 1.00 12.12 C ATOM 1668 CE1 TYR A 115 28.010 10.117 25.448 1.00 11.92 C ATOM 1669 CE2 TYR A 115 26.329 8.413 25.170 1.00 11.25 C ATOM 1670 CZ TYR A 115 27.588 8.798 25.600 1.00 11.95 C ATOM 1671 OH TYR A 115 28.426 7.865 26.180 1.00 11.67 O ATOM 1672 HA TYR A 115 26.464 12.607 22.630 1.00 0.00 H ATOM 1673 HB3 TYR A 115 23.996 11.173 23.575 1.00 0.00 H ATOM 1674 HB2 TYR A 115 24.740 12.459 24.555 1.00 0.00 H ATOM 1675 HD2 TYR A 115 24.488 9.046 24.262 1.00 0.00 H ATOM 1676 HE2 TYR A 115 26.003 7.380 25.286 1.00 0.00 H ATOM 1677 HE1 TYR A 115 29.004 10.417 25.779 1.00 0.00 H ATOM 1678 HD1 TYR A 115 27.467 12.092 24.765 1.00 0.00 H ATOM 1679 HH TYR A 115 27.995 7.494 26.990 1.00 0.00 H ATOM 1680 H TYR A 115 23.720 13.712 22.838 1.00 0.00 H ATOM 1681 N VAL A 116 26.220 11.470 20.441 1.00 11.22 N ATOM 1682 CA VAL A 116 26.119 10.831 19.121 1.00 11.04 C ATOM 1683 C VAL A 116 27.323 9.918 18.849 1.00 10.76 C ATOM 1684 O VAL A 116 28.350 10.050 19.519 1.00 10.53 O ATOM 1685 CB VAL A 116 25.995 11.891 17.981 1.00 11.02 C ATOM 1686 CG1 VAL A 116 24.625 12.574 18.022 1.00 11.14 C ATOM 1687 CG2 VAL A 116 27.123 12.919 18.056 1.00 10.96 C ATOM 1688 HA VAL A 116 25.214 10.224 19.132 1.00 0.00 H ATOM 1689 HB VAL A 116 26.086 11.370 17.028 1.00 0.00 H ATOM 1690 HG11 VAL A 116 23.843 11.825 17.894 1.00 0.00 H ATOM 1691 HG12 VAL A 116 24.498 13.073 18.983 1.00 0.00 H ATOM 1692 HG13 VAL A 116 24.562 13.308 17.219 1.00 0.00 H ATOM 1693 HG21 VAL A 116 27.081 13.434 19.016 1.00 0.00 H ATOM 1694 HG22 VAL A 116 28.083 12.412 17.956 1.00 0.00 H ATOM 1695 HG23 VAL A 116 27.008 13.643 17.249 1.00 0.00 H ATOM 1696 H VAL A 116 27.119 11.917 20.711 1.00 0.00 H ATOM 1697 N PRO A 117 27.199 8.990 17.873 1.00 10.68 N ATOM 1698 CA PRO A 117 28.309 8.091 17.551 1.00 10.48 C ATOM 1699 C PRO A 117 29.507 8.834 16.970 1.00 10.39 C ATOM 1700 O PRO A 117 29.337 9.710 16.116 1.00 10.37 O ATOM 1701 CB PRO A 117 27.710 7.149 16.496 1.00 10.61 C ATOM 1702 CG PRO A 117 26.231 7.244 16.684 1.00 10.91 C ATOM 1703 CD PRO A 117 25.995 8.665 17.085 1.00 10.76 C ATOM 1704 HA PRO A 117 28.688 7.581 18.437 1.00 0.00 H ATOM 1705 HD3 PRO A 117 25.912 9.311 16.211 1.00 0.00 H ATOM 1706 HD2 PRO A 117 25.093 8.757 17.690 1.00 0.00 H ATOM 1707 HG3 PRO A 117 25.897 6.562 17.466 1.00 0.00 H ATOM 1708 HG2 PRO A 117 25.709 7.014 15.755 1.00 0.00 H ATOM 1709 HB2 PRO A 117 27.990 7.470 15.493 1.00 0.00 H ATOM 1710 HB3 PRO A 117 28.052 6.127 16.657 1.00 0.00 H ATOM 1711 N VAL A 118 30.704 8.489 17.443 1.00 10.11 N ATOM 1712 CA VAL A 118 31.947 9.095 16.939 1.00 10.10 C ATOM 1713 C VAL A 118 32.979 8.061 16.468 1.00 10.08 C ATOM 1714 O VAL A 118 33.986 8.418 15.848 1.00 10.36 O ATOM 1715 CB VAL A 118 32.595 10.074 17.970 1.00 9.98 C ATOM 1716 CG1 VAL A 118 31.676 11.257 18.240 1.00 10.06 C ATOM 1717 CG2 VAL A 118 32.959 9.356 19.280 1.00 10.38 C ATOM 1718 HA VAL A 118 31.642 9.671 16.065 1.00 0.00 H ATOM 1719 HB VAL A 118 33.520 10.449 17.533 1.00 0.00 H ATOM 1720 HG11 VAL A 118 31.495 11.794 17.309 1.00 0.00 H ATOM 1721 HG12 VAL A 118 30.730 10.896 18.643 1.00 0.00 H ATOM 1722 HG13 VAL A 118 32.148 11.925 18.961 1.00 0.00 H ATOM 1723 HG21 VAL A 118 32.057 8.934 19.724 1.00 0.00 H ATOM 1724 HG22 VAL A 118 33.670 8.557 19.069 1.00 0.00 H ATOM 1725 HG23 VAL A 118 33.407 10.070 19.972 1.00 0.00 H ATOM 1726 H VAL A 118 30.762 7.769 18.191 1.00 0.00 H ATOM 1727 N HIS A 119 32.722 6.787 16.756 1.00 9.82 N ATOM 1728 CA HIS A 119 33.675 5.715 16.465 1.00 9.68 C ATOM 1729 C HIS A 119 32.939 4.389 16.301 1.00 9.39 C ATOM 1730 O HIS A 119 32.023 4.083 17.072 1.00 9.60 O ATOM 1731 CB HIS A 119 34.725 5.637 17.584 1.00 9.76 C ATOM 1732 CG HIS A 119 35.531 4.373 17.592 1.00 10.02 C ATOM 1733 ND1 HIS A 119 35.331 3.368 18.514 1.00 11.64 N ATOM 1734 CD2 HIS A 119 36.550 3.960 16.802 1.00 9.48 C ATOM 1735 CE1 HIS A 119 36.190 2.389 18.288 1.00 10.14 C ATOM 1736 NE2 HIS A 119 36.940 2.723 17.253 1.00 11.86 N ATOM 1737 HA HIS A 119 34.190 5.929 15.528 1.00 0.00 H ATOM 1738 HB2 HIS A 119 35.410 6.477 17.468 1.00 0.00 H ATOM 1739 HB3 HIS A 119 34.210 5.719 18.541 1.00 0.00 H ATOM 1740 HD2 HIS A 119 36.981 4.508 15.964 1.00 0.00 H ATOM 1741 HE1 HIS A 119 36.266 1.463 18.859 1.00 0.00 H ATOM 1742 H HIS A 119 31.814 6.546 17.202 1.00 0.00 H ATOM 1743 N PHE A 120 33.319 3.624 15.280 1.00 8.94 N ATOM 1744 CA PHE A 120 32.772 2.283 15.080 1.00 8.87 C ATOM 1745 C PHE A 120 33.713 1.272 15.726 1.00 9.01 C ATOM 1746 O PHE A 120 34.854 1.129 15.291 1.00 8.92 O ATOM 1747 CB PHE A 120 32.598 1.975 13.587 1.00 9.04 C ATOM 1748 CG PHE A 120 31.840 0.700 13.320 1.00 8.42 C ATOM 1749 CD1 PHE A 120 30.464 0.731 13.115 1.00 9.22 C ATOM 1750 CD2 PHE A 120 32.494 -0.530 13.301 1.00 8.53 C ATOM 1751 CE1 PHE A 120 29.748 -0.445 12.887 1.00 9.58 C ATOM 1752 CE2 PHE A 120 31.788 -1.714 13.074 1.00 9.62 C ATOM 1753 CZ PHE A 120 30.412 -1.669 12.863 1.00 9.58 C ATOM 1754 HA PHE A 120 31.787 2.223 15.543 1.00 0.00 H ATOM 1755 HB2 PHE A 120 32.058 2.801 13.125 1.00 0.00 H ATOM 1756 HB3 PHE A 120 33.586 1.890 13.135 1.00 0.00 H ATOM 1757 HD2 PHE A 120 33.571 -0.569 13.465 1.00 0.00 H ATOM 1758 HE2 PHE A 120 32.312 -2.670 13.062 1.00 0.00 H ATOM 1759 HZ PHE A 120 29.857 -2.589 12.680 1.00 0.00 H ATOM 1760 HE1 PHE A 120 28.670 -0.406 12.728 1.00 0.00 H ATOM 1761 HD1 PHE A 120 29.939 1.686 13.133 1.00 0.00 H ATOM 1762 H PHE A 120 34.023 3.990 14.607 1.00 0.00 H ATOM 1763 N ASP A 121 33.242 0.569 16.756 1.00 8.72 N ATOM 1764 CA ASP A 121 34.131 -0.311 17.533 1.00 9.09 C ATOM 1765 C ASP A 121 34.191 -1.746 17.013 1.00 9.31 C ATOM 1766 O ASP A 121 35.277 -2.327 16.927 1.00 9.39 O ATOM 1767 CB ASP A 121 33.771 -0.298 19.025 1.00 9.15 C ATOM 1768 CG ASP A 121 34.987 -0.541 19.932 1.00 9.72 C ATOM 1769 OD1 ASP A 121 36.054 0.069 19.700 1.00 8.86 O ATOM 1770 OD2 ASP A 121 34.868 -1.326 20.895 1.00 9.97 O ATOM 1771 HA ASP A 121 35.130 0.106 17.403 1.00 0.00 H ATOM 1772 HB2 ASP A 121 33.341 0.673 19.271 1.00 0.00 H ATOM 1773 HB3 ASP A 121 33.034 -1.079 19.213 1.00 0.00 H ATOM 1774 H ASP A 121 32.237 0.643 17.013 1.00 0.00 H ATOM 1775 N ALA A 122 33.033 -2.314 16.684 1.00 9.52 N ATOM 1776 CA ALA A 122 32.939 -3.722 16.303 1.00 10.05 C ATOM 1777 C ALA A 122 31.549 -4.082 15.799 1.00 10.48 C ATOM 1778 O ALA A 122 30.588 -3.345 16.021 1.00 10.31 O ATOM 1779 CB ALA A 122 33.297 -4.614 17.498 1.00 9.97 C ATOM 1780 HA ALA A 122 33.645 -3.888 15.490 1.00 0.00 H ATOM 1781 HB1 ALA A 122 34.315 -4.396 17.820 1.00 0.00 H ATOM 1782 HB2 ALA A 122 32.605 -4.417 18.317 1.00 0.00 H ATOM 1783 HB3 ALA A 122 33.224 -5.661 17.203 1.00 0.00 H ATOM 1784 H ALA A 122 32.167 -1.738 16.699 1.00 0.00 H ATOM 1785 N SER A 123 31.458 -5.221 15.113 1.00 11.17 N ATOM 1786 CA SER A 123 30.176 -5.876 14.878 1.00 11.97 C ATOM 1787 C SER A 123 30.234 -7.251 15.528 1.00 12.53 C ATOM 1788 O SER A 123 31.293 -7.880 15.570 1.00 12.54 O ATOM 1789 CB SER A 123 29.848 -5.979 13.385 1.00 12.10 C ATOM 1790 OG SER A 123 30.759 -6.822 12.698 1.00 12.73 O ATOM 1791 HA SER A 123 29.375 -5.282 15.318 1.00 0.00 H ATOM 1792 HB2 SER A 123 29.890 -4.982 12.945 1.00 0.00 H ATOM 1793 HB3 SER A 123 28.842 -6.382 13.272 1.00 0.00 H ATOM 1794 HG SER A 123 30.512 -6.861 11.740 1.00 0.00 H ATOM 1795 H SER A 123 32.324 -5.655 14.735 1.00 0.00 H ATOM 1796 N VAL A 124 29.100 -7.701 16.051 1.00 13.19 N ATOM 1797 CA VAL A 124 29.039 -8.981 16.755 1.00 14.10 C ATOM 1798 C VAL A 124 27.840 -9.821 16.321 1.00 14.47 C ATOM 1799 O VAL A 124 26.808 -9.305 15.892 1.00 14.90 O ATOM 1800 CB VAL A 124 29.057 -8.816 18.306 1.00 14.07 C ATOM 1801 CG1 VAL A 124 30.374 -8.193 18.778 1.00 14.68 C ATOM 1802 CG2 VAL A 124 27.861 -8.008 18.802 1.00 14.91 C ATOM 1803 HA VAL A 124 29.946 -9.515 16.472 1.00 0.00 H ATOM 1804 OXT VAL A 124 27.887 -11.048 16.393 1.00 14.99 O ATOM 1805 HB VAL A 124 28.979 -9.813 18.740 1.00 0.00 H ATOM 1806 HG11 VAL A 124 31.204 -8.836 18.485 1.00 0.00 H ATOM 1807 HG12 VAL A 124 30.494 -7.211 18.321 1.00 0.00 H ATOM 1808 HG13 VAL A 124 30.358 -8.090 19.863 1.00 0.00 H ATOM 1809 HG21 VAL A 124 27.882 -7.016 18.351 1.00 0.00 H ATOM 1810 HG22 VAL A 124 26.939 -8.517 18.521 1.00 0.00 H ATOM 1811 HG23 VAL A 124 27.911 -7.916 19.887 1.00 0.00 H ATOM 1812 H VAL A 124 28.236 -7.130 15.958 1.00 0.00 H TER 1813 VAL A 124 HETATM 1814 O HOH 1 32.307 15.476 6.396 1.00 26.53 O HETATM 1815 O HOH 2 38.438 14.842 10.368 1.00 37.78 O HETATM 1816 O HOH 3 26.894 16.464 16.713 1.00 17.08 O HETATM 1817 O HOH 4 26.279 16.635 13.104 1.00 21.79 O HETATM 1818 O HOH 5 32.996 17.576 19.112 1.00 24.93 O HETATM 1819 O HOH 6 36.663 16.455 16.878 1.00 37.14 O HETATM 1820 O HOH 7 29.410 17.893 16.020 1.00 29.79 O HETATM 1821 O HOH 8 28.557 18.072 13.447 1.00 32.24 O HETATM 1822 O HOH 9 34.256 17.388 16.754 1.00 25.42 O HETATM 1823 O HOH 10 25.399 14.752 15.079 1.00 15.41 O HETATM 1824 O HOH 11 31.107 15.902 16.790 1.00 19.97 O HETATM 1825 O HOH 12 29.822 13.727 6.963 1.00 20.51 O HETATM 1826 O HOH 13 27.339 15.133 11.010 1.00 24.52 O HETATM 1827 O HOH 14 26.469 9.317 5.599 1.00 17.01 O HETATM 1828 O HOH 15 23.544 14.598 10.854 1.00 24.17 O HETATM 1829 O HOH 16 25.493 12.347 13.844 1.00 11.43 O HETATM 1830 O HOH 17 24.684 9.685 7.749 1.00 15.17 O HETATM 1831 O HOH 18 22.832 -1.445 -7.878 1.00 44.70 O HETATM 1832 O HOH 19 25.240 -0.387 -3.441 1.00 26.46 O HETATM 1833 O HOH 20 20.987 14.413 17.589 1.00 30.76 O HETATM 1834 O HOH 21 22.933 18.338 15.867 1.00 32.92 O HETATM 1835 O HOH 22 35.535 -8.427 -9.337 1.00 35.69 O HETATM 1836 O HOH 23 35.905 4.478 -7.989 1.00 35.88 O HETATM 1837 O HOH 24 26.733 2.077 -3.410 1.00 37.58 O HETATM 1838 O HOH 25 35.357 4.818 13.568 1.00 15.07 O HETATM 1839 O HOH 26 40.144 -10.667 -5.404 1.00 38.81 O HETATM 1840 O HOH 27 23.976 1.214 -0.046 1.00 21.27 O HETATM 1841 O HOH 28 23.860 7.006 1.532 1.00 29.63 O HETATM 1842 O HOH 29 47.349 -2.982 6.701 1.00 42.74 O HETATM 1843 O HOH 30 24.221 7.594 4.725 1.00 16.09 O HETATM 1844 O HOH 31 22.277 8.274 7.184 1.00 17.90 O HETATM 1845 O HOH 32 42.164 -2.408 11.005 1.00 28.05 O HETATM 1846 O HOH 33 19.091 -1.936 4.801 1.00 33.69 O HETATM 1847 O HOH 34 17.355 4.872 5.522 1.00 26.76 O HETATM 1848 O HOH 35 24.297 -3.223 -6.431 1.00 27.64 O HETATM 1849 O HOH 36 24.071 -4.533 1.598 1.00 75.76 O HETATM 1850 O HOH 37 24.818 -1.422 -0.649 1.00 19.52 O HETATM 1851 O HOH 38 17.420 -0.864 15.556 1.00 17.56 O HETATM 1852 O HOH 39 22.882 15.591 15.740 1.00 21.74 O HETATM 1853 O HOH 40 20.504 11.678 19.059 1.00 29.22 O HETATM 1854 O HOH 41 16.043 12.045 13.352 1.00 46.76 O HETATM 1855 O HOH 42 26.857 -1.925 -5.028 1.00 22.69 O HETATM 1856 O HOH 43 29.153 -2.066 -8.957 1.00 21.10 O HETATM 1857 O HOH 44 35.122 -4.142 -3.503 1.00 14.52 O HETATM 1858 O HOH 45 33.205 -7.276 -9.893 1.00 21.98 O HETATM 1859 O HOH 46 24.171 3.516 29.762 1.00 21.12 O HETATM 1860 O HOH 47 20.894 -7.335 24.851 1.00 26.20 O HETATM 1861 O HOH 48 35.639 -2.748 -8.270 1.00 30.76 O HETATM 1862 O HOH 49 26.206 4.191 33.378 1.00 24.20 O HETATM 1863 O HOH 50 25.815 -2.347 32.232 1.00 28.59 O HETATM 1864 O HOH 51 39.508 -4.416 13.413 1.00 38.78 O HETATM 1865 O HOH 52 43.813 4.588 24.605 1.00 27.36 O HETATM 1866 O HOH 53 29.479 -10.600 21.739 1.00 22.76 O HETATM 1867 O HOH 54 34.619 6.008 -6.165 1.00 32.19 O HETATM 1868 O HOH 55 29.351 2.601 -4.449 1.00 34.68 O HETATM 1869 O HOH 56 29.937 8.046 -1.423 1.00 25.01 O HETATM 1870 O HOH 57 39.579 12.367 4.591 1.00 38.47 O HETATM 1871 O HOH 58 40.327 -6.569 -6.470 1.00 35.72 O HETATM 1872 O HOH 59 40.028 8.257 -1.208 1.00 30.84 O HETATM 1873 O HOH 60 43.158 6.219 5.183 1.00 35.05 O HETATM 1874 O HOH 61 48.268 -0.452 6.624 1.00 32.83 O HETATM 1875 O HOH 62 32.694 14.913 19.982 1.00 22.22 O HETATM 1876 O HOH 63 48.379 1.680 2.014 1.00 32.47 O HETATM 1877 O HOH 64 37.115 12.303 15.494 1.00 30.33 O HETATM 1878 O HOH 65 39.939 0.789 20.164 1.00 25.34 O HETATM 1879 O HOH 66 41.266 -0.191 9.551 1.00 18.54 O HETATM 1880 O HOH 67 25.479 -14.422 16.332 1.00 24.35 O HETATM 1881 O HOH 68 17.921 2.267 5.601 1.00 31.57 O HETATM 1882 O HOH 69 15.923 -2.126 10.467 1.00 32.16 O HETATM 1883 O HOH 70 17.869 -4.695 9.491 1.00 31.74 O HETATM 1884 O HOH 71 14.428 5.809 10.818 1.00 30.36 O HETATM 1885 O HOH 72 17.596 8.574 17.134 1.00 16.21 O HETATM 1886 O HOH 73 16.904 1.810 9.631 1.00 13.22 O HETATM 1887 O HOH 74 17.858 -0.495 12.854 1.00 23.17 O HETATM 1888 O HOH 75 18.162 1.764 16.870 1.00 11.76 O HETATM 1889 O HOH 76 21.894 14.500 13.125 1.00 20.25 O HETATM 1890 O HOH 77 18.642 11.050 16.741 1.00 37.35 O HETATM 1891 O HOH 78 18.626 11.388 12.773 1.00 25.67 O HETATM 1892 O HOH 79 17.297 3.694 21.560 1.00 26.40 O HETATM 1893 O HOH 80 22.300 3.009 27.900 1.00 28.99 O HETATM 1894 O HOH 81 18.670 -1.630 17.855 1.00 16.46 O HETATM 1895 O HOH 82 21.966 -8.451 28.084 1.00 20.54 O HETATM 1896 O HOH 83 25.669 1.974 31.890 1.00 19.51 O HETATM 1897 O HOH 84 28.292 -1.370 31.953 1.00 48.01 O HETATM 1898 O HOH 85 31.475 -0.146 29.729 1.00 26.71 O HETATM 1899 O HOH 86 30.986 -4.732 30.027 1.00 26.31 O HETATM 1900 O HOH 87 32.393 -5.397 25.167 1.00 10.31 O HETATM 1901 O HOH 88 35.677 -7.175 16.445 1.00 27.81 O HETATM 1902 O HOH 89 39.349 -3.505 15.885 1.00 28.60 O HETATM 1903 O HOH 90 41.353 -4.540 22.989 1.00 25.16 O HETATM 1904 O HOH 91 41.723 5.512 22.537 1.00 26.22 O HETATM 1905 O HOH 92 38.596 8.787 23.704 1.00 21.01 O HETATM 1906 O HOH 93 32.475 6.774 33.005 1.00 32.94 O HETATM 1907 O HOH 94 29.221 -8.010 22.905 1.00 15.04 O HETATM 1908 O HOH 95 22.467 -6.930 21.216 1.00 17.83 O HETATM 1909 O HOH 96 18.822 0.730 26.975 1.00 13.77 O HETATM 1910 O HOH 97 17.481 -8.361 15.499 1.00 26.45 O HETATM 1911 O HOH 98 16.981 -6.610 12.562 1.00 22.01 O HETATM 1912 O HOH 99 23.897 -5.907 4.373 1.00 22.52 O HETATM 1913 O HOH 100 31.013 -8.440 10.441 1.00 34.63 O HETATM 1914 O HOH 101 30.675 -8.783 6.547 1.00 22.94 O HETATM 1915 O HOH 102 47.067 -0.766 4.207 1.00 33.73 O HETATM 1916 O HOH 103 43.014 -11.602 -1.382 1.00 36.76 O HETATM 1917 O HOH 104 49.530 -5.852 -6.813 1.00 37.76 O HETATM 1918 O HOH 105 48.387 -1.525 -7.446 1.00 46.23 O HETATM 1919 O HOH 106 50.939 1.470 -6.798 1.00 34.27 O HETATM 1920 O HOH 107 46.210 -2.737 -6.195 1.00 32.01 O HETATM 1921 O HOH 108 38.133 -6.311 -5.023 1.00 27.87 O HETATM 1922 O HOH 109 35.067 -8.189 3.451 1.00 20.37 O HETATM 1923 O HOH 110 34.548 -8.016 -3.263 1.00 19.38 O HETATM 1924 O HOH 111 28.622 -10.196 0.463 1.00 25.42 O HETATM 1925 O HOH 112 24.788 -7.742 -3.160 1.00 93.36 O HETATM 1926 O HOH 113 25.232 -11.977 8.627 1.00 23.76 O HETATM 1927 O HOH 114 32.753 -11.774 10.246 1.00 33.01 O HETATM 1928 O HOH 115 31.543 9.581 26.150 1.00 8.80 O HETATM 1929 O HOH 116 34.532 13.077 19.587 1.00 28.22 O HETATM 1930 O HOH 117 37.766 10.639 22.073 1.00 19.28 O HETATM 1931 O HOH 118 36.477 11.227 19.401 1.00 44.69 O HETATM 1932 O HOH 119 29.968 14.417 19.203 1.00 13.95 O HETATM 1933 O HOH 120 25.698 14.969 26.517 1.00 17.18 O HETATM 1934 O HOH 121 28.411 20.444 23.117 1.00 32.26 O HETATM 1935 O HOH 122 28.658 18.764 19.507 1.00 32.18 O HETATM 1936 O HOH 123 27.077 22.014 25.094 1.00 25.88 O HETATM 1937 O HOH 124 27.722 16.163 19.453 1.00 15.01 O HETATM 1938 O HOH 125 22.621 9.805 19.238 1.00 21.74 O HETATM 1939 O HOH 126 27.718 10.691 13.989 1.00 11.19 O HETATM 1940 O HOH 127 34.786 10.485 14.414 1.00 19.14 O HETATM 1941 O HOH 128 36.994 8.362 16.023 1.00 22.07 O HETATM 1942 O HOH 129 33.393 -3.368 22.118 1.00 10.36 O HETATM 1943 O HOH 130 37.675 1.321 21.596 1.00 13.14 O HETATM 1944 O HOH 131 37.602 -0.897 16.325 1.00 27.06 O HETATM 1945 O HOH 132 33.420 -8.689 17.036 1.00 27.05 O HETATM 1946 O HOH 133 31.445 -10.344 13.978 1.00 28.91 O HETATM 1947 O HOH 134 34.193 -6.242 14.332 1.00 15.83 O HETATM 1948 O HOH 135 24.580 -10.636 15.521 1.00 24.57 O HETATM 1949 O HOH 136 27.264 -12.801 14.360 1.00 29.71 O HETATM 1950 O HOH 137 30.930 -12.097 16.932 1.00 31.12 O HETATM 1951 O HOH 138 42.769 1.935 10.148 1.00 24.65 O HETATM 1952 O HOH 139 32.445 -5.398 11.281 1.00 18.66 O HETATM 1953 O HOH 140 40.744 8.158 22.263 1.00 33.96 O HETATM 1954 O HOH 141 41.731 7.695 13.409 1.00 45.08 O HETATM 1955 O HOH 142 37.353 5.937 14.826 1.00 17.62 O HETATM 1956 N1A SFB A 143 35.491 6.877 22.396 1.00 -0.27 N HETATM 1957 C2A SFB A 143 35.881 7.837 21.543 1.00 0.05 C HETATM 1958 N3A SFB A 143 36.824 7.598 20.616 1.00 -0.27 N HETATM 1959 C4A SFB A 143 37.402 6.373 20.519 1.00 0.16 C HETATM 1960 C5A SFB A 143 37.020 5.363 21.386 1.00 0.10 C HETATM 1961 C6A SFB A 143 36.044 5.640 22.341 1.00 0.13 C HETATM 1962 N6A SFB A 143 35.636 4.687 23.206 1.00 -0.32 N HETATM 1963 H23 SFB A 143 36.052 3.746 23.169 1.00 0.18 H HETATM 1964 H24 SFB A 143 34.908 4.901 23.903 1.00 0.18 H HETATM 1965 N7A SFB A 143 37.744 4.268 21.073 1.00 -0.30 N HETATM 1966 C8A SFB A 143 38.557 4.597 20.037 1.00 0.11 C HETATM 1967 N9A SFB A 143 38.341 5.884 19.705 1.00 -0.19 N HETATM 1968 C1B SFB A 143 39.007 6.692 18.644 1.00 0.20 C HETATM 1969 C2B SFB A 143 40.481 6.895 18.977 1.00 0.14 C HETATM 1970 O2B SFB A 143 40.670 8.194 19.550 1.00 -0.38 O HETATM 1971 H7 SFB A 143 40.154 8.267 20.344 1.00 0.21 H HETATM 1972 C3B SFB A 143 41.214 6.773 17.656 1.00 0.12 C HETATM 1973 O3B SFB A 143 41.883 7.997 17.342 1.00 -0.39 O HETATM 1974 H11 SFB A 143 42.510 8.199 18.027 1.00 0.21 H HETATM 1975 C4B SFB A 143 40.145 6.462 16.610 1.00 0.13 C HETATM 1976 O4B SFB A 143 38.950 6.119 17.336 1.00 -0.33 O HETATM 1977 C5B SFB A 143 40.526 5.304 15.689 1.00 0.16 C HETATM 1978 N3S SFB A 143 40.543 4.013 16.373 1.00 -0.22 N HETATM 1979 SAS SFB A 143 40.405 2.651 15.527 1.00 0.04 S HETATM 1980 C1S SFB A 143 39.221 2.902 14.358 1.00 0.09 C HETATM 1981 C3C SFB A 143 38.956 1.645 13.551 1.00 0.04 C HETATM 1982 C2C SFB A 143 37.524 1.185 13.268 1.00 0.12 C HETATM 1983 C1C SFB A 143 37.605 0.422 11.955 1.00 0.20 C HETATM 1984 N1D SFB A 143 36.784 -0.811 12.211 1.00 -0.16 N HETATM 1985 C2D SFB A 143 35.636 -0.808 11.316 1.00 0.33 C HETATM 1986 O2D SFB A 143 35.318 0.109 10.554 1.00 -0.38 O HETATM 1987 N3D SFB A 143 34.872 -2.004 11.395 1.00 -0.19 N HETATM 1988 C4D SFB A 143 35.128 -3.151 12.244 1.00 0.18 C HETATM 1989 O4D SFB A 143 34.381 -4.093 12.195 1.00 -0.41 O HETATM 1990 C5D SFB A 143 36.303 -3.063 13.111 1.00 0.01 C HETATM 1991 C6D SFB A 143 37.057 -1.933 13.060 1.00 0.06 C HETATM 1992 H25 SFB A 143 37.929 -1.876 13.710 1.00 0.12 H HETATM 1993 H22 SFB A 143 36.567 -3.881 13.780 1.00 0.03 H HETATM 1994 H13 SFB A 143 34.070 -2.061 10.800 1.00 0.23 H HETATM 1995 O4C SFB A 143 38.997 0.251 11.643 1.00 -0.34 O HETATM 1996 C4C SFB A 143 39.808 1.182 12.370 1.00 0.09 C HETATM 1997 C5C SFB A 143 41.039 0.418 12.839 1.00 0.07 C HETATM 1998 O5C SFB A 143 40.649 -0.576 13.798 1.00 -0.39 O HETATM 1999 H21 SFB A 143 40.036 -1.179 13.395 1.00 0.21 H HETATM 2000 H19 SFB A 143 41.749 1.117 13.304 1.00 0.06 H HETATM 2001 H20 SFB A 143 41.517 -0.071 11.978 1.00 0.06 H HETATM 2002 H16 SFB A 143 40.102 2.038 11.745 1.00 0.06 H HETATM 2003 H2 SFB A 143 37.140 0.994 11.138 1.00 0.10 H HETATM 2004 O2C SFB A 143 36.573 2.251 13.154 1.00 -0.39 O HETATM 2005 H9 SFB A 143 36.528 2.723 13.977 1.00 0.21 H HETATM 2006 H8 SFB A 143 37.194 0.514 14.075 1.00 0.07 H HETATM 2007 H12 SFB A 143 39.264 0.914 14.313 1.00 0.04 H HETATM 2008 H3 SFB A 143 38.289 3.210 14.855 1.00 0.05 H HETATM 2009 H4 SFB A 143 39.555 3.699 13.678 1.00 0.05 H HETATM 2010 O1S SFB A 143 41.689 2.380 14.943 1.00 -0.16 O HETATM 2011 O2S SFB A 143 40.044 1.574 16.408 1.00 -0.16 O HETATM 2012 H14 SFB A 143 40.641 3.976 17.367 1.00 0.17 H HETATM 2013 O5B SFB A 143 41.807 5.566 15.102 1.00 -0.37 O HETATM 2014 H18 SFB A 143 41.786 6.407 14.660 1.00 0.21 H HETATM 2015 H17 SFB A 143 39.777 5.249 14.885 1.00 0.08 H HETATM 2016 H15 SFB A 143 39.968 7.357 15.996 1.00 0.07 H HETATM 2017 H10 SFB A 143 41.950 5.957 17.702 1.00 0.06 H HETATM 2018 H6 SFB A 143 40.830 6.126 19.682 1.00 0.07 H HETATM 2019 H1 SFB A 143 38.508 7.672 18.612 1.00 0.10 H HETATM 2020 H26 SFB A 143 39.268 3.929 19.553 1.00 0.13 H HETATM 2021 H5 SFB A 143 35.428 8.820 21.603 1.00 0.10 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 242 243 251 252 253 CONECT 251 242 CONECT 252 242 CONECT 253 242 CONECT 327 326 1208 CONECT 564 563 1371 CONECT 832 831 1605 CONECT 932 931 1030 CONECT 1030 932 1029 CONECT 1208 327 1207 CONECT 1371 564 1370 CONECT 1605 832 1604 CONECT 1956 1957 1961 CONECT 1957 1956 1958 2021 CONECT 1958 1957 1959 CONECT 1959 1958 1960 1967 CONECT 1960 1959 1961 1965 CONECT 1961 1956 1960 1962 CONECT 1962 1961 1963 1964 CONECT 1963 1962 CONECT 1964 1962 CONECT 1965 1960 1966 CONECT 1966 1965 1967 2020 CONECT 1967 1959 1966 1968 CONECT 1968 1967 1969 1976 2019 CONECT 1969 1968 1970 1972 2018 CONECT 1970 1969 1971 CONECT 1971 1970 CONECT 1972 1969 1973 1975 2017 CONECT 1973 1972 1974 CONECT 1974 1973 CONECT 1975 1972 1976 1977 2016 CONECT 1976 1968 1975 CONECT 1977 1975 1978 2013 2015 CONECT 1978 1977 1979 2012 CONECT 1979 1978 1980 2010 2011 CONECT 1980 1979 1981 2008 2009 CONECT 1981 1980 1982 1996 2007 CONECT 1982 1981 1983 2004 2006 CONECT 1983 1982 1984 1995 2003 CONECT 1984 1983 1985 1991 CONECT 1985 1984 1986 1987 CONECT 1986 1985 CONECT 1987 1985 1988 1994 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 1991 1993 CONECT 1991 1984 1990 1992 CONECT 1992 1991 CONECT 1993 1990 CONECT 1994 1987 CONECT 1995 1983 1996 CONECT 1996 1981 1995 1997 2002 CONECT 1997 1996 1998 2000 2001 CONECT 1998 1997 1999 CONECT 1999 1998 CONECT 2000 1997 CONECT 2001 1997 CONECT 2002 1996 CONECT 2003 1983 CONECT 2004 1982 2005 CONECT 2005 2004 CONECT 2006 1982 CONECT 2007 1981 CONECT 2008 1980 CONECT 2009 1980 CONECT 2010 1979 CONECT 2011 1979 CONECT 2012 1978 CONECT 2013 1977 2014 CONECT 2014 2013 CONECT 2015 1977 CONECT 2016 1975 CONECT 2017 1972 CONECT 2018 1969 CONECT 2019 1968 CONECT 2020 1966 CONECT 2021 1957 MASTER 0 0 0 0 0 0 0 0 2019 2 82 11 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: 2xog
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
1o0o
RCSB PDB
PDBbind
124aa, >1O0O_1|Chains... at 99%
1qhc
RCSB PDB
PDBbind
124aa, >1QHC_1|Chains... at 99%
1rnm
RCSB PDB
PDBbind
124aa, >1RNM_1|Chain... at 99%
1rpf
RCSB PDB
PDBbind
124aa, >1RPF_1|Chain... at 99%
1u1b
RCSB PDB
PDBbind
124aa, >1U1B_1|Chains... at 99%
1w4o
RCSB PDB
PDBbind
124aa, >1W4O_1|Chains... at 99%
1w4p
RCSB PDB
PDBbind
124aa, >1W4P_1|Chains... at 99%
1w4q
RCSB PDB
PDBbind
124aa, >1W4Q_1|Chains... at 99%
1z6d
RCSB PDB
PDBbind
124aa, >1Z6D_1|Chains... at 99%
1z6s
RCSB PDB
PDBbind
124aa, >1Z6S_1|Chains... at 99%
2g8r
RCSB PDB
PDBbind
124aa, >2G8R_1|Chains... at 99%
2w5g
RCSB PDB
PDBbind
124aa, >2W5G_1|Chains... at 99%
2w5i
RCSB PDB
PDBbind
124aa, >2W5I_1|Chains... at 99%
2xoi
RCSB PDB
PDBbind
124aa, >2XOI_1|Chains... at 99%
3d6o
RCSB PDB
PDBbind
124aa, >3D6O_1|Chains... at 99%
3d6p
RCSB PDB
PDBbind
124aa, >3D6P_1|Chains... at 99%
3d6q
RCSB PDB
PDBbind
124aa, >3D6Q_1|Chains... at 99%
3d7b
RCSB PDB
PDBbind
124aa, >3D7B_1|Chains... at 99%
3d8y
RCSB PDB
PDBbind
124aa, >3D8Y_1|Chains... at 99%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2xoi
RCSB PDB
PDBbind
SFB
Entry Information
PDB ID
2xog
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
RIBONUCLEASE PANCREATIC
Ligand Name
SFB
EC.Number
E.C.3.1.27.5
Resolution
1.72(Å)
Affinity (Kd/Ki/IC50)
Ki=0.37mM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) FEBS J. Vol. 278: pp. 541
Ligand Properties
Formula
C
2
0
H
2
6
N
8
O
1
1
S
Molecular Weight
586.532
Exact Mass
586.144
No. of atoms
66
No. of bonds
70
Polar Surface Area
298.64
LOGP Value
-4.84 (
Computed with XLOGP3
)
-3.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 5
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1CS(=O)(=O)N[C@@H]([C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)n1ccc(=O)[nH]c1=O
InChI String
InChI=1S/C20H26N8O11S/c21-15-10-16(23-5-22-15)28(6-24-10)19-13(33)12(32)14(39-19)17(34)26-40(36,37)4-7-8(3-29)38-18(11(7)31)27-2-1-9(30)25-20(27)35/h1-2,5-8,11-14,17-19,26,29,31-34H,3-4H2,(H2,21,22,23)(H,25,30,35)/t7-,8-,11-,12+,13-,14+,17-,18-,19-/m1/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):
P61823
Entrez Gene ID
NCBI Entrez Gene ID:
282340
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 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