Browse entries in the PDBbind-CN Database
HEADER 3D8Z_COMPLEX COMPND 3D8Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 LYS GLU THR ALA ALA ALA LYS PHE GLU ARG GLN HIS MET SEQRES 2 A 124 ASP SER SER THR SER ALA ALA SER SER SER ASN TYR CYS SEQRES 3 A 124 ASN GLN MET MET LYS SER ARG ASN LEU THR LYS ASP ARG SEQRES 4 A 124 CYS LYS PRO VAL ASN THR PHE VAL HIS GLU SER LEU ALA SEQRES 5 A 124 ASP VAL GLN ALA VAL CYS SER GLN LYS ASN VAL ALA CYS SEQRES 6 A 124 LYS ASN GLY GLN THR ASN CYS TYR GLN SER TYR SER THR SEQRES 7 A 124 MET SER ILE THR ASP CYS ARG GLU THR GLY SER SER LYS SEQRES 8 A 124 TYR PRO ASN CYS ALA TYR LYS THR THR GLN ALA ASN LYS SEQRES 9 A 124 HIS ILE ILE VAL ALA CYS GLU GLY ASN PRO TYR VAL PRO SEQRES 10 A 124 VAL HIS PHE ASP ALA SER VAL HET TXS A 198 43 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 LYS A 1 35.056 21.360 9.563 1.00 17.57 N ATOM 2 CA LYS A 1 35.769 20.197 10.169 1.00 17.68 C ATOM 3 C LYS A 1 34.789 19.057 10.430 1.00 17.41 C ATOM 4 O LYS A 1 33.652 19.292 10.863 1.00 17.46 O ATOM 5 CB LYS A 1 36.453 20.577 11.487 1.00 17.76 C ATOM 6 CG LYS A 1 36.369 22.048 11.885 1.00 17.90 C ATOM 7 CD LYS A 1 36.736 22.247 13.361 1.00 17.92 C ATOM 8 CE LYS A 1 35.569 21.935 14.316 1.00 17.99 C ATOM 9 NZ LYS A 1 35.051 20.538 14.243 1.00 16.67 N ATOM 10 HA LYS A 1 36.533 19.879 9.460 1.00 0.00 H ATOM 11 HB2 LYS A 1 35.995 19.989 12.282 1.00 0.00 H ATOM 12 HB3 LYS A 1 37.507 20.313 11.404 1.00 0.00 H ATOM 13 HG2 LYS A 1 37.058 22.624 11.267 1.00 0.00 H ATOM 14 HG3 LYS A 1 35.352 22.403 11.721 1.00 0.00 H ATOM 15 HD2 LYS A 1 37.570 21.589 13.604 1.00 0.00 H ATOM 16 HD3 LYS A 1 37.038 23.284 13.508 1.00 0.00 H ATOM 17 HE2 LYS A 1 34.749 22.613 14.081 1.00 0.00 H ATOM 18 HE3 LYS A 1 35.908 22.117 15.336 1.00 0.00 H ATOM 19 HZ1 LYS A 1 34.708 20.347 13.280 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.815 19.873 14.479 1.00 0.00 H ATOM 21 HZ3 LYS A 1 34.270 20.423 14.920 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.315 21.689 10.215 1.00 0.00 H ATOM 23 HN2 LYS A 1 34.623 21.069 8.663 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.734 22.129 9.390 1.00 0.00 H ATOM 25 N GLU A 2 35.249 17.832 10.171 1.00 17.03 N ATOM 26 CA GLU A 2 34.459 16.615 10.330 1.00 16.56 C ATOM 27 C GLU A 2 34.370 16.190 11.795 1.00 16.00 C ATOM 28 O GLU A 2 35.379 15.832 12.409 1.00 15.79 O ATOM 29 CB GLU A 2 35.070 15.481 9.478 1.00 16.49 C ATOM 30 CG GLU A 2 34.321 14.160 9.512 1.00 16.36 C ATOM 31 CD GLU A 2 34.848 13.133 8.506 1.00 17.22 C ATOM 32 OE1 GLU A 2 35.979 12.625 8.676 1.00 16.97 O ATOM 33 OE2 GLU A 2 34.111 12.810 7.550 1.00 19.43 O ATOM 34 HA GLU A 2 33.445 16.821 9.986 1.00 0.00 H ATOM 35 HB2 GLU A 2 35.106 15.820 8.443 1.00 0.00 H ATOM 36 HB3 GLU A 2 36.084 15.301 9.835 1.00 0.00 H ATOM 37 HG2 GLU A 2 34.409 13.739 10.514 1.00 0.00 H ATOM 38 HG3 GLU A 2 33.271 14.353 9.291 1.00 0.00 H ATOM 39 H GLU A 2 36.229 17.738 9.836 1.00 0.00 H ATOM 40 N THR A 3 33.159 16.225 12.349 1.00 15.80 N ATOM 41 CA THR A 3 32.912 15.722 13.707 1.00 15.39 C ATOM 42 C THR A 3 33.076 14.205 13.758 1.00 15.00 C ATOM 43 O THR A 3 33.058 13.534 12.719 1.00 14.85 O ATOM 44 CB THR A 3 31.504 16.101 14.232 1.00 15.82 C ATOM 45 OG1 THR A 3 30.495 15.524 13.388 1.00 16.70 O ATOM 46 CG2 THR A 3 31.330 17.614 14.289 1.00 15.02 C ATOM 47 HA THR A 3 33.651 16.197 14.352 1.00 0.00 H ATOM 48 HB THR A 3 31.399 15.707 15.243 1.00 0.00 H ATOM 49 HG1 THR A 3 30.603 15.866 12.465 1.00 0.00 H ATOM 50 HG23 THR A 3 32.099 18.043 14.931 1.00 0.00 H ATOM 51 HG21 THR A 3 31.422 18.027 13.284 1.00 0.00 H ATOM 52 HG22 THR A 3 30.345 17.850 14.692 1.00 0.00 H ATOM 53 H THR A 3 32.366 16.620 11.805 1.00 0.00 H ATOM 54 N ALA A 4 33.261 13.664 14.961 1.00 14.82 N ATOM 55 CA ALA A 4 33.367 12.201 15.148 1.00 14.74 C ATOM 56 C ALA A 4 32.103 11.459 14.683 1.00 14.36 C ATOM 57 O ALA A 4 32.187 10.385 14.068 1.00 14.93 O ATOM 58 CB ALA A 4 33.694 11.866 16.605 1.00 14.46 C ATOM 59 HA ALA A 4 34.186 11.854 14.518 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.643 12.327 16.878 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.904 12.249 17.251 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.767 10.785 16.720 1.00 0.00 H ATOM 63 H ALA A 4 33.333 14.287 15.791 1.00 0.00 H ATOM 64 N ALA A 5 30.942 12.035 14.976 1.00 13.91 N ATOM 65 CA ALA A 5 29.652 11.515 14.494 1.00 13.56 C ATOM 66 C ALA A 5 29.580 11.444 12.959 1.00 13.44 C ATOM 67 O ALA A 5 29.164 10.424 12.397 1.00 13.30 O ATOM 68 CB ALA A 5 28.518 12.363 15.029 1.00 13.48 C ATOM 69 HA ALA A 5 29.557 10.495 14.867 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.530 12.338 16.119 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.641 13.390 14.686 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.569 11.969 14.666 1.00 0.00 H ATOM 73 H ALA A 5 30.945 12.888 15.570 1.00 0.00 H ATOM 74 N ALA A 6 29.971 12.537 12.298 1.00 13.09 N ATOM 75 CA ALA A 6 30.095 12.591 10.838 1.00 12.55 C ATOM 76 C ALA A 6 31.065 11.549 10.273 1.00 12.77 C ATOM 77 O ALA A 6 30.792 10.925 9.238 1.00 12.86 O ATOM 78 CB ALA A 6 30.522 13.998 10.397 1.00 12.81 C ATOM 79 HA ALA A 6 29.111 12.354 10.434 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.774 14.721 10.720 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.484 14.242 10.848 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.611 14.026 9.311 1.00 0.00 H ATOM 83 H ALA A 6 30.199 13.391 12.846 1.00 0.00 H ATOM 84 N LYS A 7 32.209 11.375 10.928 1.00 12.81 N ATOM 85 CA LYS A 7 33.195 10.390 10.479 1.00 13.14 C ATOM 86 C LYS A 7 32.644 8.963 10.596 1.00 12.93 C ATOM 87 O LYS A 7 32.874 8.134 9.713 1.00 13.49 O ATOM 88 CB LYS A 7 34.494 10.520 11.265 1.00 13.27 C ATOM 89 CG LYS A 7 35.595 9.567 10.807 1.00 14.46 C ATOM 90 CD LYS A 7 36.902 9.924 11.476 1.00 16.67 C ATOM 91 CE LYS A 7 37.981 8.929 11.131 1.00 18.16 C ATOM 92 NZ LYS A 7 39.168 9.143 11.983 1.00 20.29 N ATOM 93 HA LYS A 7 33.405 10.591 9.429 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.859 11.542 11.159 1.00 0.00 H ATOM 95 HB3 LYS A 7 34.281 10.319 12.315 1.00 0.00 H ATOM 96 HG2 LYS A 7 35.321 8.546 11.072 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.711 9.642 9.726 1.00 0.00 H ATOM 98 HD2 LYS A 7 37.212 10.915 11.144 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.758 9.932 12.556 1.00 0.00 H ATOM 100 HE2 LYS A 7 38.262 9.051 10.085 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.603 7.919 11.288 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.532 10.105 11.832 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.903 9.024 12.981 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.902 8.450 11.733 1.00 0.00 H ATOM 105 H LYS A 7 32.407 11.948 11.773 1.00 0.00 H ATOM 106 N PHE A 8 31.912 8.680 11.668 1.00 11.97 N ATOM 107 CA PHE A 8 31.216 7.389 11.761 1.00 11.89 C ATOM 108 C PHE A 8 30.243 7.200 10.601 1.00 11.96 C ATOM 109 O PHE A 8 30.174 6.112 10.024 1.00 11.89 O ATOM 110 CB PHE A 8 30.474 7.226 13.093 1.00 11.47 C ATOM 111 CG PHE A 8 29.709 5.928 13.203 1.00 11.07 C ATOM 112 CD1 PHE A 8 28.401 5.837 12.752 1.00 10.68 C ATOM 113 CD2 PHE A 8 30.309 4.801 13.752 1.00 10.56 C ATOM 114 CE1 PHE A 8 27.697 4.631 12.830 1.00 11.80 C ATOM 115 CE2 PHE A 8 29.618 3.597 13.848 1.00 10.33 C ATOM 116 CZ PHE A 8 28.309 3.513 13.383 1.00 11.34 C ATOM 117 HA PHE A 8 31.986 6.619 11.707 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.204 7.266 13.902 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.770 8.051 13.199 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.336 4.861 14.113 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.100 2.723 14.286 1.00 0.00 H ATOM 122 HZ PHE A 8 27.765 2.571 13.453 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.674 4.569 12.459 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.915 6.717 12.331 1.00 0.00 H ATOM 125 H PHE A 8 31.832 9.371 12.441 1.00 0.00 H ATOM 126 N GLU A 9 29.492 8.245 10.259 1.00 12.07 N ATOM 127 CA GLU A 9 28.517 8.129 9.165 1.00 12.75 C ATOM 128 C GLU A 9 29.205 7.864 7.823 1.00 12.44 C ATOM 129 O GLU A 9 28.759 7.011 7.040 1.00 12.20 O ATOM 130 CB GLU A 9 27.597 9.356 9.089 1.00 12.95 C ATOM 131 CG GLU A 9 26.644 9.476 10.281 1.00 13.37 C ATOM 132 CD GLU A 9 25.590 10.567 10.107 1.00 14.69 C ATOM 133 OE1 GLU A 9 25.115 10.769 8.974 1.00 16.28 O ATOM 134 OE2 GLU A 9 25.234 11.213 11.118 1.00 17.42 O ATOM 135 HA GLU A 9 27.889 7.266 9.387 1.00 0.00 H ATOM 136 HB2 GLU A 9 28.217 10.251 9.051 1.00 0.00 H ATOM 137 HB3 GLU A 9 27.004 9.287 8.177 1.00 0.00 H ATOM 138 HG2 GLU A 9 26.135 8.521 10.414 1.00 0.00 H ATOM 139 HG3 GLU A 9 27.231 9.701 11.172 1.00 0.00 H ATOM 140 H GLU A 9 29.596 9.146 10.768 1.00 0.00 H ATOM 141 N ARG A 10 30.297 8.583 7.571 1.00 11.85 N ATOM 142 CA ARG A 10 31.052 8.418 6.338 1.00 11.73 C ATOM 143 C ARG A 10 31.666 7.020 6.256 1.00 11.89 C ATOM 144 O ARG A 10 31.613 6.377 5.204 1.00 12.10 O ATOM 145 CB ARG A 10 32.146 9.490 6.222 1.00 11.52 C ATOM 146 CG ARG A 10 33.062 9.298 5.036 1.00 11.04 C ATOM 147 CD ARG A 10 34.041 10.435 4.870 1.00 11.82 C ATOM 148 NE ARG A 10 34.912 10.637 6.033 1.00 12.66 N ATOM 149 CZ ARG A 10 36.071 10.015 6.235 1.00 13.91 C ATOM 150 NH1 ARG A 10 36.508 9.101 5.378 1.00 13.69 N ATOM 151 NH2 ARG A 10 36.797 10.307 7.304 1.00 15.66 N ATOM 152 HA ARG A 10 30.361 8.538 5.504 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.665 10.464 6.132 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.749 9.466 7.130 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.621 8.372 5.172 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.455 9.225 4.134 1.00 0.00 H ATOM 157 HD2 ARG A 10 33.478 11.352 4.698 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.667 10.227 4.003 1.00 0.00 H ATOM 159 HE ARG A 10 34.600 11.318 6.754 1.00 0.00 H ATOM 160 HH12 ARG A 10 37.415 8.622 5.547 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.943 8.864 4.538 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.703 9.823 7.465 1.00 0.00 H ATOM 163 HH21 ARG A 10 36.461 11.020 7.982 1.00 0.00 H ATOM 164 H ARG A 10 30.618 9.280 8.273 1.00 0.00 H ATOM 165 N GLN A 11 32.238 6.548 7.362 1.00 11.71 N ATOM 166 CA GLN A 11 32.988 5.297 7.349 1.00 12.24 C ATOM 167 C GLN A 11 32.099 4.061 7.435 1.00 11.82 C ATOM 168 O GLN A 11 32.468 2.996 6.931 1.00 11.83 O ATOM 169 CB GLN A 11 33.989 5.259 8.506 1.00 12.48 C ATOM 170 CG GLN A 11 35.172 6.214 8.389 1.00 13.84 C ATOM 171 CD GLN A 11 36.295 5.879 9.378 1.00 13.31 C ATOM 172 OE1 GLN A 11 37.473 5.990 9.048 1.00 18.92 O ATOM 173 NE2 GLN A 11 35.932 5.451 10.576 1.00 14.66 N ATOM 174 HA GLN A 11 33.505 5.271 6.390 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.451 5.502 9.422 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.383 4.245 8.575 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.569 6.157 7.376 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.824 7.228 8.585 1.00 0.00 H ATOM 179 HE22 GLN A 11 34.923 5.371 10.816 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.655 5.194 11.278 1.00 0.00 H ATOM 181 H GLN A 11 32.148 7.081 8.251 1.00 0.00 H ATOM 182 N HIS A 12 30.941 4.192 8.084 1.00 11.38 N ATOM 183 CA HIS A 12 30.188 3.010 8.509 1.00 10.80 C ATOM 184 C HIS A 12 28.703 2.930 8.138 1.00 11.09 C ATOM 185 O HIS A 12 28.093 1.879 8.334 1.00 10.60 O ATOM 186 CB HIS A 12 30.362 2.767 10.017 1.00 10.23 C ATOM 187 CG HIS A 12 31.787 2.560 10.436 1.00 10.31 C ATOM 188 ND1 HIS A 12 32.534 1.478 10.027 1.00 9.88 N ATOM 189 CD2 HIS A 12 32.602 3.306 11.215 1.00 8.28 C ATOM 190 CE1 HIS A 12 33.740 1.553 10.559 1.00 10.75 C ATOM 191 NE2 HIS A 12 33.811 2.661 11.272 1.00 9.17 N ATOM 192 HA HIS A 12 30.641 2.218 7.913 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.968 3.631 10.552 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.791 1.880 10.291 1.00 0.00 H ATOM 195 HD2 HIS A 12 32.346 4.245 11.706 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.540 0.824 10.431 1.00 0.00 H ATOM 197 H HIS A 12 30.570 5.141 8.290 1.00 0.00 H ATOM 198 N MET A 13 28.124 4.019 7.639 1.00 10.97 N ATOM 199 CA MET A 13 26.716 4.019 7.240 1.00 11.66 C ATOM 200 C MET A 13 26.515 3.863 5.723 1.00 11.92 C ATOM 201 O MET A 13 27.092 4.601 4.918 1.00 13.04 O ATOM 202 CB MET A 13 26.002 5.295 7.719 1.00 11.81 C ATOM 203 CG MET A 13 25.794 5.405 9.264 1.00 11.00 C ATOM 204 SD MET A 13 24.887 4.046 10.039 1.00 13.25 S ATOM 205 CE MET A 13 23.298 4.107 9.203 1.00 11.14 C ATOM 206 HA MET A 13 26.276 3.146 7.722 1.00 0.00 H ATOM 207 HB2 MET A 13 26.592 6.153 7.397 1.00 0.00 H ATOM 208 HB3 MET A 13 25.022 5.331 7.244 1.00 0.00 H ATOM 209 HG2 MET A 13 25.248 6.327 9.463 1.00 0.00 H ATOM 210 HG3 MET A 13 26.778 5.459 9.730 1.00 0.00 H ATOM 211 HE1 MET A 13 22.834 5.078 9.377 1.00 0.00 H ATOM 212 HE2 MET A 13 23.446 3.960 8.133 1.00 0.00 H ATOM 213 HE3 MET A 13 22.653 3.320 9.593 1.00 0.00 H ATOM 214 H MET A 13 28.684 4.889 7.530 1.00 0.00 H ATOM 215 N ASP A 14 25.678 2.907 5.345 1.00 11.97 N ATOM 216 CA ASP A 14 25.195 2.818 3.972 1.00 11.58 C ATOM 217 C ASP A 14 23.751 2.337 3.941 1.00 11.16 C ATOM 218 O ASP A 14 23.469 1.191 3.584 1.00 9.96 O ATOM 219 CB ASP A 14 26.086 1.934 3.111 1.00 11.16 C ATOM 220 CG ASP A 14 25.661 1.930 1.648 1.00 12.38 C ATOM 221 OD1 ASP A 14 25.009 2.902 1.210 1.00 12.49 O ATOM 222 OD2 ASP A 14 25.960 0.944 0.949 1.00 11.82 O ATOM 223 HA ASP A 14 25.233 3.820 3.546 1.00 0.00 H ATOM 224 HB2 ASP A 14 27.111 2.299 3.177 1.00 0.00 H ATOM 225 HB3 ASP A 14 26.040 0.914 3.492 1.00 0.00 H ATOM 226 H ASP A 14 25.359 2.205 6.043 1.00 0.00 H ATOM 227 N SER A 15 22.847 3.239 4.300 1.00 11.46 N ATOM 228 CA SER A 15 21.420 2.941 4.349 1.00 12.68 C ATOM 229 C SER A 15 20.814 2.818 2.953 1.00 13.64 C ATOM 230 O SER A 15 19.717 2.279 2.806 1.00 13.57 O ATOM 231 CB SER A 15 20.667 4.022 5.145 1.00 12.51 C ATOM 232 OG SER A 15 21.321 4.337 6.367 1.00 12.51 O ATOM 233 HA SER A 15 21.313 1.979 4.851 1.00 0.00 H ATOM 234 HB2 SER A 15 19.663 3.661 5.366 1.00 0.00 H ATOM 235 HB3 SER A 15 20.602 4.925 4.538 1.00 0.00 H ATOM 236 HG SER A 15 21.379 3.523 6.928 1.00 0.00 H ATOM 237 H SER A 15 23.168 4.195 4.556 1.00 0.00 H ATOM 238 N SER A 16 21.519 3.309 1.933 1.00 15.07 N ATOM 239 CA SER A 16 20.961 3.365 0.568 1.00 17.22 C ATOM 240 C SER A 16 20.747 2.001 -0.094 1.00 18.21 C ATOM 241 O SER A 16 19.894 1.865 -0.971 1.00 18.63 O ATOM 242 CB SER A 16 21.801 4.268 -0.346 1.00 17.36 C ATOM 243 OG SER A 16 21.989 5.546 0.240 1.00 19.41 O ATOM 244 HA SER A 16 19.968 3.795 0.698 1.00 0.00 H ATOM 245 HB2 SER A 16 21.289 4.385 -1.301 1.00 0.00 H ATOM 246 HB3 SER A 16 22.773 3.804 -0.511 1.00 0.00 H ATOM 247 HG SER A 16 22.532 6.109 -0.366 1.00 0.00 H ATOM 248 H SER A 16 22.483 3.660 2.103 1.00 0.00 H ATOM 249 N THR A 17 21.537 1.004 0.297 1.00 19.65 N ATOM 250 CA THR A 17 21.281 -0.367 -0.137 1.00 20.59 C ATOM 251 C THR A 17 20.914 -1.266 1.052 1.00 21.32 C ATOM 252 O THR A 17 21.456 -1.119 2.147 1.00 20.96 O ATOM 253 CB THR A 17 22.448 -0.960 -0.988 1.00 20.74 C ATOM 254 OG1 THR A 17 21.964 -2.059 -1.781 1.00 21.01 O ATOM 255 CG2 THR A 17 23.624 -1.409 -0.113 1.00 19.64 C ATOM 256 HA THR A 17 20.418 -0.333 -0.802 1.00 0.00 H ATOM 257 HB THR A 17 22.817 -0.172 -1.645 1.00 0.00 H ATOM 258 HG1 THR A 17 22.708 -2.430 -2.318 1.00 0.00 H ATOM 259 HG23 THR A 17 23.977 -0.565 0.480 1.00 0.00 H ATOM 260 HG21 THR A 17 23.297 -2.209 0.551 1.00 0.00 H ATOM 261 HG22 THR A 17 24.431 -1.771 -0.750 1.00 0.00 H ATOM 262 H THR A 17 22.346 1.203 0.919 1.00 0.00 H ATOM 263 N SER A 18 19.973 -2.180 0.816 1.00 22.33 N ATOM 264 CA SER A 18 19.550 -3.163 1.816 1.00 23.36 C ATOM 265 C SER A 18 20.663 -4.179 2.030 1.00 23.85 C ATOM 266 O SER A 18 20.668 -4.918 3.019 1.00 23.85 O ATOM 267 CB SER A 18 18.288 -3.897 1.343 1.00 23.28 C ATOM 268 OG SER A 18 17.224 -3.000 1.060 1.00 23.92 O ATOM 269 HA SER A 18 19.333 -2.642 2.749 1.00 0.00 H ATOM 270 HB2 SER A 18 17.968 -4.587 2.124 1.00 0.00 H ATOM 271 HB3 SER A 18 18.525 -4.458 0.439 1.00 0.00 H ATOM 272 HG SER A 18 16.433 -3.513 0.759 1.00 0.00 H ATOM 273 H SER A 18 19.519 -2.196 -0.120 1.00 0.00 H ATOM 274 N ALA A 19 21.605 -4.166 1.087 1.00 24.47 N ATOM 275 CA ALA A 19 22.625 -5.189 0.872 1.00 25.20 C ATOM 276 C ALA A 19 22.170 -6.169 -0.212 1.00 25.66 C ATOM 277 O ALA A 19 21.636 -7.253 0.070 1.00 25.91 O ATOM 278 CB ALA A 19 23.023 -5.906 2.156 1.00 25.26 C ATOM 279 HA ALA A 19 23.527 -4.685 0.526 1.00 0.00 H ATOM 280 HB1 ALA A 19 23.422 -5.182 2.866 1.00 0.00 H ATOM 281 HB2 ALA A 19 22.147 -6.393 2.585 1.00 0.00 H ATOM 282 HB3 ALA A 19 23.784 -6.654 1.932 1.00 0.00 H ATOM 283 H ALA A 19 21.615 -3.350 0.443 1.00 0.00 H ATOM 284 N ALA A 20 22.333 -5.728 -1.458 1.00 25.81 N ATOM 285 CA ALA A 20 22.373 -6.602 -2.620 1.00 25.99 C ATOM 286 C ALA A 20 23.834 -6.558 -3.063 1.00 26.02 C ATOM 287 O ALA A 20 24.215 -7.125 -4.100 1.00 26.22 O ATOM 288 CB ALA A 20 21.443 -6.086 -3.713 1.00 25.86 C ATOM 289 HA ALA A 20 22.038 -7.616 -2.402 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.422 -6.050 -3.333 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.756 -5.086 -4.012 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.489 -6.755 -4.573 1.00 0.00 H ATOM 293 H ALA A 20 22.437 -4.704 -1.608 1.00 0.00 H ATOM 294 N SER A 21 24.627 -5.890 -2.215 1.00 26.20 N ATOM 295 CA SER A 21 26.055 -5.594 -2.375 1.00 25.95 C ATOM 296 C SER A 21 26.785 -6.612 -3.225 1.00 25.75 C ATOM 297 O SER A 21 26.999 -7.749 -2.796 1.00 26.03 O ATOM 298 CB SER A 21 26.735 -5.509 -0.999 1.00 25.98 C ATOM 299 OG SER A 21 25.806 -5.220 0.033 1.00 26.32 O ATOM 300 HA SER A 21 26.112 -4.636 -2.893 1.00 0.00 H ATOM 301 HB2 SER A 21 27.488 -4.722 -1.026 1.00 0.00 H ATOM 302 HB3 SER A 21 27.216 -6.463 -0.784 1.00 0.00 H ATOM 303 HG SER A 21 26.282 -5.174 0.900 1.00 0.00 H ATOM 304 H SER A 21 24.179 -5.541 -1.344 1.00 0.00 H ATOM 305 N SER A 22 27.163 -6.198 -4.432 1.00 25.46 N ATOM 306 CA SER A 22 27.881 -7.073 -5.360 1.00 24.97 C ATOM 307 C SER A 22 29.289 -7.386 -4.854 1.00 24.95 C ATOM 308 O SER A 22 29.752 -6.803 -3.873 1.00 24.62 O ATOM 309 CB SER A 22 27.950 -6.437 -6.753 1.00 24.93 C ATOM 310 OG SER A 22 28.525 -5.143 -6.715 1.00 24.17 O ATOM 311 HA SER A 22 27.329 -8.011 -5.425 1.00 0.00 H ATOM 312 HB2 SER A 22 26.940 -6.363 -7.157 1.00 0.00 H ATOM 313 HB3 SER A 22 28.554 -7.072 -7.401 1.00 0.00 H ATOM 314 HG SER A 22 28.551 -4.768 -7.631 1.00 0.00 H ATOM 315 H SER A 22 26.942 -5.225 -4.724 1.00 0.00 H ATOM 316 N SER A 23 29.958 -8.318 -5.528 1.00 24.99 N ATOM 317 CA SER A 23 31.382 -8.572 -5.310 1.00 24.73 C ATOM 318 C SER A 23 32.199 -7.283 -5.475 1.00 24.67 C ATOM 319 O SER A 23 33.296 -7.164 -4.931 1.00 24.89 O ATOM 320 CB SER A 23 31.877 -9.656 -6.277 1.00 24.93 C ATOM 321 OG SER A 23 31.572 -9.317 -7.619 1.00 24.03 O ATOM 322 HA SER A 23 31.519 -8.926 -4.288 1.00 0.00 H ATOM 323 HB2 SER A 23 31.395 -10.602 -6.030 1.00 0.00 H ATOM 324 HB3 SER A 23 32.957 -9.761 -6.172 1.00 0.00 H ATOM 325 HG SER A 23 31.901 -10.031 -8.221 1.00 0.00 H ATOM 326 H SER A 23 29.450 -8.886 -6.235 1.00 0.00 H ATOM 327 N ASN A 24 31.643 -6.320 -6.213 1.00 24.72 N ATOM 328 CA ASN A 24 32.289 -5.021 -6.464 1.00 24.80 C ATOM 329 C ASN A 24 32.206 -4.047 -5.294 1.00 23.67 C ATOM 330 O ASN A 24 32.977 -3.099 -5.226 1.00 23.22 O ATOM 331 CB ASN A 24 31.626 -4.314 -7.651 1.00 25.28 C ATOM 332 CG ASN A 24 31.912 -4.968 -8.966 1.00 27.30 C ATOM 333 OD1 ASN A 24 33.016 -5.457 -9.216 1.00 31.52 O ATOM 334 ND2 ASN A 24 30.920 -4.959 -9.842 1.00 28.58 N ATOM 335 HA ASN A 24 33.335 -5.267 -6.648 1.00 0.00 H ATOM 336 HB2 ASN A 24 30.547 -4.311 -7.493 1.00 0.00 H ATOM 337 HB3 ASN A 24 31.989 -3.287 -7.689 1.00 0.00 H ATOM 338 HD22 ASN A 24 30.005 -4.535 -9.587 1.00 0.00 H ATOM 339 HD21 ASN A 24 31.055 -5.376 -10.785 1.00 0.00 H ATOM 340 H ASN A 24 30.707 -6.496 -6.631 1.00 0.00 H ATOM 341 N TYR A 25 31.241 -4.278 -4.404 1.00 23.06 N ATOM 342 CA TYR A 25 30.795 -3.287 -3.417 1.00 22.10 C ATOM 343 C TYR A 25 31.922 -2.638 -2.615 1.00 21.94 C ATOM 344 O TYR A 25 32.052 -1.409 -2.591 1.00 21.79 O ATOM 345 CB TYR A 25 29.780 -3.933 -2.478 1.00 22.52 C ATOM 346 CG TYR A 25 29.261 -3.018 -1.406 1.00 21.88 C ATOM 347 CD1 TYR A 25 28.092 -2.287 -1.597 1.00 21.28 C ATOM 348 CD2 TYR A 25 29.936 -2.886 -0.190 1.00 21.04 C ATOM 349 CE1 TYR A 25 27.604 -1.448 -0.599 1.00 22.10 C ATOM 350 CE2 TYR A 25 29.462 -2.042 0.802 1.00 21.45 C ATOM 351 CZ TYR A 25 28.293 -1.332 0.594 1.00 21.82 C ATOM 352 OH TYR A 25 27.824 -0.489 1.582 1.00 22.59 O ATOM 353 HA TYR A 25 30.340 -2.473 -3.982 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.255 -4.788 -1.997 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.934 -4.276 -3.073 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.849 -3.456 -0.019 1.00 0.00 H ATOM 357 HE2 TYR A 25 30.007 -1.938 1.740 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.684 -0.886 -0.757 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.552 -2.373 -2.540 1.00 0.00 H ATOM 360 HH TYR A 25 26.985 -0.060 1.278 1.00 0.00 H ATOM 361 H TYR A 25 30.779 -5.210 -4.409 1.00 0.00 H ATOM 362 N CYS A 26 32.743 -3.463 -1.979 1.00 21.47 N ATOM 363 CA CYS A 26 33.822 -2.959 -1.127 1.00 22.21 C ATOM 364 C CYS A 26 34.905 -2.181 -1.879 1.00 22.49 C ATOM 365 O CYS A 26 35.398 -1.174 -1.371 1.00 22.81 O ATOM 366 CB CYS A 26 34.415 -4.079 -0.279 1.00 21.04 C ATOM 367 SG CYS A 26 33.312 -4.602 1.061 1.00 22.93 S ATOM 368 HA CYS A 26 33.361 -2.227 -0.464 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.351 -3.729 0.156 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.613 -4.936 -0.922 1.00 0.00 H ATOM 371 H CYS A 26 32.618 -4.490 -2.088 1.00 0.00 H ATOM 372 N ASN A 27 35.253 -2.624 -3.088 1.00 22.89 N ATOM 373 CA ASN A 27 36.203 -1.883 -3.937 1.00 23.21 C ATOM 374 C ASN A 27 35.706 -0.474 -4.268 1.00 23.86 C ATOM 375 O ASN A 27 36.471 0.497 -4.245 1.00 23.83 O ATOM 376 CB ASN A 27 36.493 -2.650 -5.232 1.00 23.17 C ATOM 377 CG ASN A 27 37.312 -3.907 -5.002 1.00 23.12 C ATOM 378 OD1 ASN A 27 37.980 -4.052 -3.981 1.00 23.48 O ATOM 379 ND2 ASN A 27 37.261 -4.823 -5.956 1.00 23.29 N ATOM 380 HA ASN A 27 37.125 -1.786 -3.364 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.545 -2.931 -5.690 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.042 -1.996 -5.909 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.682 -4.659 -6.804 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.800 -5.707 -5.857 1.00 0.00 H ATOM 385 H ASN A 27 34.844 -3.513 -3.440 1.00 0.00 H ATOM 386 N GLN A 28 34.421 -0.380 -4.585 1.00 23.65 N ATOM 387 CA GLN A 28 33.772 0.895 -4.877 1.00 24.76 C ATOM 388 C GLN A 28 33.583 1.768 -3.637 1.00 24.41 C ATOM 389 O GLN A 28 33.964 2.947 -3.634 1.00 24.18 O ATOM 390 CB GLN A 28 32.429 0.651 -5.572 1.00 24.27 C ATOM 391 CG GLN A 28 32.582 -0.055 -6.914 1.00 26.00 C ATOM 392 CD GLN A 28 31.262 -0.557 -7.486 1.00 26.44 C ATOM 393 OE1 GLN A 28 30.198 -0.422 -6.867 1.00 29.58 O ATOM 394 NE2 GLN A 28 31.328 -1.145 -8.669 1.00 27.69 N ATOM 395 HA GLN A 28 34.436 1.446 -5.543 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.806 0.035 -4.923 1.00 0.00 H ATOM 397 HB3 GLN A 28 31.941 1.612 -5.737 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.024 0.644 -7.624 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.249 -0.907 -6.783 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.244 -1.237 -9.154 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.464 -1.515 -9.114 1.00 0.00 H ATOM 402 H GLN A 28 33.853 -1.250 -4.627 1.00 0.00 H ATOM 403 N MET A 29 33.012 1.176 -2.587 1.00 24.72 N ATOM 404 CA MET A 29 32.667 1.902 -1.360 1.00 24.84 C ATOM 405 C MET A 29 33.866 2.376 -0.550 1.00 24.67 C ATOM 406 O MET A 29 33.870 3.497 -0.051 1.00 24.53 O ATOM 407 CB MET A 29 31.739 1.063 -0.472 1.00 25.08 C ATOM 408 CG MET A 29 30.323 0.982 -1.005 1.00 26.24 C ATOM 409 SD MET A 29 29.495 2.576 -0.913 1.00 28.88 S ATOM 410 CE MET A 29 29.184 2.695 0.846 1.00 28.14 C ATOM 411 HA MET A 29 32.153 2.802 -1.698 1.00 0.00 H ATOM 412 HB2 MET A 29 32.143 0.053 -0.404 1.00 0.00 H ATOM 413 HB3 MET A 29 31.711 1.510 0.522 1.00 0.00 H ATOM 414 HG2 MET A 29 29.763 0.256 -0.415 1.00 0.00 H ATOM 415 HG3 MET A 29 30.353 0.657 -2.045 1.00 0.00 H ATOM 416 HE1 MET A 29 28.558 1.860 1.160 1.00 0.00 H ATOM 417 HE2 MET A 29 30.131 2.664 1.384 1.00 0.00 H ATOM 418 HE3 MET A 29 28.674 3.634 1.061 1.00 0.00 H ATOM 419 H MET A 29 32.803 0.159 -2.640 1.00 0.00 H ATOM 420 N MET A 30 34.880 1.528 -0.403 1.00 24.52 N ATOM 421 CA MET A 30 36.082 1.949 0.318 1.00 24.23 C ATOM 422 C MET A 30 36.720 3.171 -0.358 1.00 24.36 C ATOM 423 O MET A 30 37.194 4.089 0.317 1.00 24.90 O ATOM 424 CB MET A 30 37.082 0.800 0.444 1.00 24.14 C ATOM 425 CG MET A 30 36.588 -0.366 1.309 1.00 23.17 C ATOM 426 SD MET A 30 36.280 0.057 3.042 1.00 22.31 S ATOM 427 CE MET A 30 37.955 0.147 3.681 1.00 22.15 C ATOM 428 HA MET A 30 35.787 2.238 1.327 1.00 0.00 H ATOM 429 HB2 MET A 30 37.295 0.420 -0.555 1.00 0.00 H ATOM 430 HB3 MET A 30 37.999 1.190 0.886 1.00 0.00 H ATOM 431 HG2 MET A 30 37.341 -1.154 1.280 1.00 0.00 H ATOM 432 HG3 MET A 30 35.658 -0.738 0.879 1.00 0.00 H ATOM 433 HE1 MET A 30 38.445 -0.818 3.550 1.00 0.00 H ATOM 434 HE2 MET A 30 38.509 0.914 3.139 1.00 0.00 H ATOM 435 HE3 MET A 30 37.925 0.400 4.741 1.00 0.00 H ATOM 436 H MET A 30 34.819 0.568 -0.799 1.00 0.00 H ATOM 437 N LYS A 31 36.703 3.195 -1.687 1.00 24.54 N ATOM 438 CA LYS A 31 37.251 4.333 -2.433 1.00 24.46 C ATOM 439 C LYS A 31 36.410 5.609 -2.255 1.00 24.26 C ATOM 440 O LYS A 31 36.951 6.667 -1.893 1.00 23.95 O ATOM 441 CB LYS A 31 37.444 3.971 -3.914 1.00 24.59 C ATOM 442 CG LYS A 31 37.975 5.105 -4.786 1.00 25.10 C ATOM 443 CD LYS A 31 38.227 4.634 -6.214 1.00 25.83 C ATOM 444 CE LYS A 31 38.326 5.805 -7.171 1.00 27.32 C ATOM 445 NZ LYS A 31 38.076 5.395 -8.594 1.00 28.91 N ATOM 446 HA LYS A 31 38.232 4.558 -2.014 1.00 0.00 H ATOM 447 HB2 LYS A 31 38.148 3.141 -3.971 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.480 3.657 -4.315 1.00 0.00 H ATOM 449 HG2 LYS A 31 37.244 5.913 -4.802 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.910 5.471 -4.362 1.00 0.00 H ATOM 451 HD2 LYS A 31 39.160 4.071 -6.243 1.00 0.00 H ATOM 452 HD3 LYS A 31 37.405 3.989 -6.526 1.00 0.00 H ATOM 453 HE2 LYS A 31 39.325 6.234 -7.099 1.00 0.00 H ATOM 454 HE3 LYS A 31 37.588 6.555 -6.886 1.00 0.00 H ATOM 455 HZ1 LYS A 31 38.780 4.684 -8.877 1.00 0.00 H ATOM 456 HZ2 LYS A 31 37.121 4.990 -8.674 1.00 0.00 H ATOM 457 HZ3 LYS A 31 38.154 6.228 -9.212 1.00 0.00 H ATOM 458 H LYS A 31 36.294 2.393 -2.207 1.00 0.00 H ATOM 459 N SER A 32 35.097 5.504 -2.480 1.00 24.23 N ATOM 460 CA SER A 32 34.218 6.683 -2.501 1.00 23.97 C ATOM 461 C SER A 32 34.014 7.343 -1.131 1.00 23.51 C ATOM 462 O SER A 32 33.729 8.544 -1.048 1.00 23.24 O ATOM 463 CB SER A 32 32.864 6.352 -3.147 1.00 24.16 C ATOM 464 OG SER A 32 32.206 5.296 -2.468 1.00 25.15 O ATOM 465 HA SER A 32 34.741 7.419 -3.112 1.00 0.00 H ATOM 466 HB2 SER A 32 33.029 6.058 -4.184 1.00 0.00 H ATOM 467 HB3 SER A 32 32.232 7.239 -3.118 1.00 0.00 H ATOM 468 HG SER A 32 32.772 4.484 -2.495 1.00 0.00 H ATOM 469 H SER A 32 34.686 4.563 -2.645 1.00 0.00 H ATOM 470 N ARG A 33 34.150 6.557 -0.068 1.00 23.18 N ATOM 471 CA ARG A 33 34.074 7.075 1.306 1.00 23.20 C ATOM 472 C ARG A 33 35.444 7.523 1.833 1.00 24.02 C ATOM 473 O ARG A 33 35.600 7.836 3.020 1.00 24.02 O ATOM 474 CB ARG A 33 33.425 6.042 2.238 1.00 22.74 C ATOM 475 CG ARG A 33 31.977 5.694 1.865 1.00 19.92 C ATOM 476 CD ARG A 33 31.059 6.911 1.832 1.00 17.20 C ATOM 477 NE ARG A 33 29.658 6.504 1.658 1.00 16.13 N ATOM 478 CZ ARG A 33 28.881 6.060 2.647 1.00 16.75 C ATOM 479 NH1 ARG A 33 29.360 5.987 3.887 1.00 16.06 N ATOM 480 NH2 ARG A 33 27.625 5.693 2.409 1.00 16.74 N ATOM 481 HA ARG A 33 33.442 7.963 1.287 1.00 0.00 H ATOM 482 HB2 ARG A 33 34.018 5.128 2.204 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.432 6.441 3.252 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.974 5.230 0.879 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.590 4.987 2.599 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.350 7.556 1.003 1.00 0.00 H ATOM 487 HD3 ARG A 33 31.158 7.459 2.769 1.00 0.00 H ATOM 488 HE ARG A 33 29.247 6.566 0.705 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.755 5.641 4.659 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.339 6.276 4.084 1.00 0.00 H ATOM 491 HH22 ARG A 33 27.028 5.348 3.187 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.240 5.751 1.445 1.00 0.00 H ATOM 493 H ARG A 33 34.316 5.541 -0.213 1.00 0.00 H ATOM 494 N ASN A 34 36.421 7.553 0.928 1.00 24.68 N ATOM 495 CA ASN A 34 37.777 8.052 1.188 1.00 25.73 C ATOM 496 C ASN A 34 38.574 7.260 2.211 1.00 25.78 C ATOM 497 O ASN A 34 39.344 7.825 2.988 1.00 25.54 O ATOM 498 CB ASN A 34 37.756 9.545 1.537 1.00 26.25 C ATOM 499 CG ASN A 34 37.411 10.407 0.346 1.00 27.51 C ATOM 500 OD1 ASN A 34 38.193 10.516 -0.601 1.00 29.84 O ATOM 501 ND2 ASN A 34 36.230 11.016 0.377 1.00 28.79 N ATOM 502 HA ASN A 34 38.312 7.906 0.250 1.00 0.00 H ATOM 503 HB2 ASN A 34 37.014 9.712 2.318 1.00 0.00 H ATOM 504 HB3 ASN A 34 38.741 9.833 1.905 1.00 0.00 H ATOM 505 HD22 ASN A 34 35.603 10.894 1.198 1.00 0.00 H ATOM 506 HD21 ASN A 34 35.932 11.614 -0.420 1.00 0.00 H ATOM 507 H ASN A 34 36.209 7.199 -0.027 1.00 0.00 H ATOM 508 N LEU A 35 38.405 5.942 2.179 1.00 26.21 N ATOM 509 CA LEU A 35 39.070 5.049 3.129 1.00 26.59 C ATOM 510 C LEU A 35 40.333 4.429 2.545 1.00 26.84 C ATOM 511 O LEU A 35 41.006 3.637 3.210 1.00 27.23 O ATOM 512 CB LEU A 35 38.094 3.972 3.626 1.00 26.51 C ATOM 513 CG LEU A 35 36.804 4.569 4.210 1.00 26.86 C ATOM 514 CD1 LEU A 35 35.817 3.498 4.616 1.00 27.15 C ATOM 515 CD2 LEU A 35 37.144 5.474 5.385 1.00 27.84 C ATOM 516 HA LEU A 35 39.384 5.649 3.983 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.832 3.325 2.789 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.588 3.383 4.399 1.00 0.00 H ATOM 519 HG LEU A 35 36.321 5.160 3.432 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.654 4.893 6.153 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.794 6.280 5.045 1.00 0.00 H ATOM 522 HD23 LEU A 35 36.226 5.895 5.795 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.552 2.901 3.744 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.269 2.857 5.373 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.921 3.967 5.023 1.00 0.00 H ATOM 526 H LEU A 35 37.780 5.532 1.456 1.00 0.00 H ATOM 527 N THR A 36 40.647 4.819 1.309 1.00 26.81 N ATOM 528 CA THR A 36 41.823 4.339 0.577 1.00 26.47 C ATOM 529 C THR A 36 42.755 5.495 0.190 1.00 26.42 C ATOM 530 O THR A 36 43.566 5.375 -0.731 1.00 26.18 O ATOM 531 CB THR A 36 41.411 3.548 -0.691 1.00 26.53 C ATOM 532 OG1 THR A 36 40.697 4.404 -1.595 1.00 25.35 O ATOM 533 CG2 THR A 36 40.536 2.352 -0.325 1.00 26.63 C ATOM 534 HA THR A 36 42.363 3.670 1.247 1.00 0.00 H ATOM 535 HB THR A 36 42.318 3.184 -1.173 1.00 0.00 H ATOM 536 HG1 THR A 36 39.884 4.749 -1.148 1.00 0.00 H ATOM 537 HG23 THR A 36 41.079 1.703 0.362 1.00 0.00 H ATOM 538 HG21 THR A 36 39.622 2.705 0.153 1.00 0.00 H ATOM 539 HG22 THR A 36 40.284 1.798 -1.229 1.00 0.00 H ATOM 540 H THR A 36 40.022 5.503 0.837 1.00 0.00 H ATOM 541 N LYS A 37 42.642 6.606 0.915 1.00 26.52 N ATOM 542 CA LYS A 37 43.327 7.856 0.560 1.00 27.02 C ATOM 543 C LYS A 37 44.802 7.870 0.980 1.00 26.63 C ATOM 544 O LYS A 37 45.677 8.159 0.163 1.00 27.01 O ATOM 545 CB LYS A 37 42.575 9.044 1.175 1.00 27.03 C ATOM 546 CG LYS A 37 42.879 10.397 0.569 1.00 27.89 C ATOM 547 CD LYS A 37 42.073 11.479 1.278 1.00 27.52 C ATOM 548 CE LYS A 37 42.443 12.873 0.778 1.00 29.38 C ATOM 549 NZ LYS A 37 41.498 13.905 1.313 1.00 29.10 N ATOM 550 HA LYS A 37 43.321 7.936 -0.527 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.507 8.859 1.063 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.826 9.087 2.235 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.943 10.610 0.676 1.00 0.00 H ATOM 554 HG3 LYS A 37 42.617 10.386 -0.489 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.012 11.307 1.095 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.270 11.423 2.349 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.403 12.883 -0.311 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.455 13.112 1.105 1.00 0.00 H ATOM 559 HZ1 LYS A 37 40.531 13.684 1.000 1.00 0.00 H ATOM 560 HZ2 LYS A 37 41.536 13.902 2.352 1.00 0.00 H ATOM 561 HZ3 LYS A 37 41.773 14.843 0.957 1.00 0.00 H ATOM 562 H LYS A 37 42.045 6.588 1.766 1.00 0.00 H ATOM 563 N ASP A 38 45.071 7.569 2.250 1.00 26.21 N ATOM 564 CA ASP A 38 46.433 7.625 2.794 1.00 25.92 C ATOM 565 C ASP A 38 47.055 6.229 2.848 1.00 25.40 C ATOM 566 O ASP A 38 48.281 6.073 2.891 1.00 24.86 O ATOM 567 CB ASP A 38 46.435 8.239 4.197 1.00 26.11 C ATOM 568 CG ASP A 38 45.701 9.575 4.273 1.00 27.04 C ATOM 569 OD1 ASP A 38 45.963 10.480 3.445 1.00 27.19 O ATOM 570 OD2 ASP A 38 44.860 9.720 5.189 1.00 28.80 O ATOM 571 HA ASP A 38 47.027 8.253 2.130 1.00 0.00 H ATOM 572 HB2 ASP A 38 45.954 7.540 4.881 1.00 0.00 H ATOM 573 HB3 ASP A 38 47.469 8.394 4.506 1.00 0.00 H ATOM 574 H ASP A 38 44.290 7.285 2.876 1.00 0.00 H ATOM 575 N ARG A 39 46.185 5.223 2.868 1.00 25.02 N ATOM 576 CA ARG A 39 46.570 3.816 2.856 1.00 24.53 C ATOM 577 C ARG A 39 45.330 3.008 2.485 1.00 24.26 C ATOM 578 O ARG A 39 44.248 3.571 2.308 1.00 24.23 O ATOM 579 CB ARG A 39 47.115 3.377 4.224 1.00 24.66 C ATOM 580 CG ARG A 39 46.117 3.519 5.358 1.00 24.93 C ATOM 581 CD ARG A 39 46.469 2.676 6.569 1.00 26.41 C ATOM 582 NE ARG A 39 45.437 2.839 7.596 1.00 28.16 N ATOM 583 CZ ARG A 39 45.311 2.088 8.688 1.00 28.20 C ATOM 584 NH1 ARG A 39 44.324 2.331 9.540 1.00 28.47 N ATOM 585 NH2 ARG A 39 46.149 1.092 8.927 1.00 27.41 N ATOM 586 HA ARG A 39 47.368 3.651 2.132 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.411 2.330 4.156 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.989 3.986 4.457 1.00 0.00 H ATOM 589 HG2 ARG A 39 46.083 4.565 5.661 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.135 3.214 4.996 1.00 0.00 H ATOM 591 HD2 ARG A 39 47.432 2.996 6.967 1.00 0.00 H ATOM 592 HD3 ARG A 39 46.529 1.628 6.277 1.00 0.00 H ATOM 593 HE ARG A 39 44.746 3.604 7.461 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.220 1.748 10.395 1.00 0.00 H ATOM 595 HH11 ARG A 39 43.654 3.104 9.353 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.038 0.514 9.784 1.00 0.00 H ATOM 597 HH21 ARG A 39 46.918 0.888 8.258 1.00 0.00 H ATOM 598 H ARG A 39 45.171 5.453 2.894 1.00 0.00 H ATOM 599 N CYS A 40 45.477 1.695 2.355 1.00 23.54 N ATOM 600 CA CYS A 40 44.302 0.847 2.248 1.00 23.05 C ATOM 601 C CYS A 40 43.865 0.543 3.685 1.00 22.96 C ATOM 602 O CYS A 40 44.616 -0.078 4.445 1.00 23.25 O ATOM 603 CB CYS A 40 44.614 -0.434 1.458 1.00 23.12 C ATOM 604 SG CYS A 40 45.290 -0.198 -0.249 1.00 22.08 S ATOM 605 HA CYS A 40 43.500 1.341 1.699 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.690 -1.006 1.374 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.344 -1.007 2.029 1.00 0.00 H ATOM 608 H CYS A 40 46.428 1.276 2.330 1.00 0.00 H ATOM 609 N LYS A 41 42.699 1.044 4.093 1.00 22.30 N ATOM 610 CA LYS A 41 42.171 0.681 5.410 1.00 21.70 C ATOM 611 C LYS A 41 41.908 -0.823 5.360 1.00 20.44 C ATOM 612 O LYS A 41 41.185 -1.281 4.486 1.00 20.97 O ATOM 613 CB LYS A 41 40.900 1.470 5.762 1.00 22.01 C ATOM 614 CG LYS A 41 40.494 1.350 7.233 1.00 22.71 C ATOM 615 CD LYS A 41 39.263 2.184 7.594 1.00 22.23 C ATOM 616 CE LYS A 41 38.863 1.921 9.047 1.00 24.45 C ATOM 617 NZ LYS A 41 37.463 2.369 9.404 1.00 27.11 N ATOM 618 HA LYS A 41 42.885 0.930 6.195 1.00 0.00 H ATOM 619 HB2 LYS A 41 41.073 2.522 5.536 1.00 0.00 H ATOM 620 HB3 LYS A 41 40.081 1.098 5.146 1.00 0.00 H ATOM 621 HG2 LYS A 41 40.278 0.303 7.448 1.00 0.00 H ATOM 622 HG3 LYS A 41 41.329 1.681 7.850 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.493 3.242 7.468 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.437 1.913 6.937 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.565 2.448 9.694 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.935 0.849 9.231 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.378 3.394 9.247 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.776 1.867 8.805 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.276 2.153 10.404 1.00 0.00 H ATOM 630 H LYS A 41 42.166 1.691 3.478 1.00 0.00 H ATOM 631 N PRO A 42 42.548 -1.592 6.254 1.00 19.36 N ATOM 632 CA PRO A 42 42.518 -3.063 6.247 1.00 18.61 C ATOM 633 C PRO A 42 41.132 -3.715 6.412 1.00 17.90 C ATOM 634 O PRO A 42 40.818 -4.671 5.698 1.00 17.86 O ATOM 635 CB PRO A 42 43.411 -3.440 7.435 1.00 18.34 C ATOM 636 CG PRO A 42 44.241 -2.243 7.699 1.00 18.63 C ATOM 637 CD PRO A 42 43.395 -1.070 7.341 1.00 19.23 C ATOM 638 HA PRO A 42 42.844 -3.426 5.273 1.00 0.00 H ATOM 639 HD3 PRO A 42 42.791 -0.749 8.189 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.006 -0.236 6.996 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.141 -2.263 7.085 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.522 -2.201 8.751 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.804 -3.683 8.307 1.00 0.00 H ATOM 644 HB3 PRO A 42 44.041 -4.293 7.183 1.00 0.00 H ATOM 645 N VAL A 43 40.339 -3.227 7.363 1.00 17.03 N ATOM 646 CA VAL A 43 39.009 -3.791 7.644 1.00 16.31 C ATOM 647 C VAL A 43 38.010 -2.675 7.935 1.00 15.51 C ATOM 648 O VAL A 43 38.297 -1.764 8.718 1.00 15.48 O ATOM 649 CB VAL A 43 39.013 -4.861 8.819 1.00 16.87 C ATOM 650 CG1 VAL A 43 40.036 -5.976 8.570 1.00 16.49 C ATOM 651 CG2 VAL A 43 39.254 -4.223 10.179 1.00 17.56 C ATOM 652 HA VAL A 43 38.703 -4.327 6.746 1.00 0.00 H ATOM 653 HB VAL A 43 38.017 -5.303 8.828 1.00 0.00 H ATOM 654 HG11 VAL A 43 39.793 -6.489 7.640 1.00 0.00 H ATOM 655 HG12 VAL A 43 41.033 -5.543 8.497 1.00 0.00 H ATOM 656 HG13 VAL A 43 40.006 -6.686 9.397 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.221 -3.719 10.176 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.466 -3.498 10.384 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.247 -4.996 10.948 1.00 0.00 H ATOM 660 H VAL A 43 40.671 -2.419 7.927 1.00 0.00 H ATOM 661 N ASN A 44 36.845 -2.735 7.302 1.00 14.21 N ATOM 662 CA ASN A 44 35.806 -1.719 7.522 1.00 13.46 C ATOM 663 C ASN A 44 34.417 -2.275 7.286 1.00 12.52 C ATOM 664 O ASN A 44 34.188 -2.973 6.299 1.00 13.30 O ATOM 665 CB ASN A 44 36.022 -0.508 6.612 1.00 12.59 C ATOM 666 CG ASN A 44 35.095 0.659 6.950 1.00 13.84 C ATOM 667 OD1 ASN A 44 35.232 1.285 8.003 1.00 14.88 O ATOM 668 ND2 ASN A 44 34.170 0.976 6.041 1.00 9.12 N ATOM 669 HA ASN A 44 35.886 -1.410 8.564 1.00 0.00 H ATOM 670 HB2 ASN A 44 37.055 -0.174 6.715 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.840 -0.810 5.581 1.00 0.00 H ATOM 672 HD22 ASN A 44 34.089 0.420 5.166 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.530 1.779 6.208 1.00 0.00 H ATOM 674 H ASN A 44 36.664 -3.515 6.638 1.00 0.00 H ATOM 675 N THR A 45 33.485 -1.941 8.177 1.00 11.73 N ATOM 676 CA THR A 45 32.129 -2.445 8.073 1.00 10.75 C ATOM 677 C THR A 45 31.137 -1.337 7.719 1.00 10.73 C ATOM 678 O THR A 45 31.214 -0.246 8.271 1.00 10.21 O ATOM 679 CB THR A 45 31.712 -3.120 9.387 1.00 10.39 C ATOM 680 OG1 THR A 45 32.630 -4.183 9.671 1.00 10.68 O ATOM 681 CG2 THR A 45 30.293 -3.678 9.284 1.00 10.00 C ATOM 682 HA THR A 45 32.112 -3.178 7.266 1.00 0.00 H ATOM 683 HB THR A 45 31.730 -2.382 10.189 1.00 0.00 H ATOM 684 HG1 THR A 45 32.608 -4.842 8.933 1.00 0.00 H ATOM 685 HG23 THR A 45 29.599 -2.866 9.068 1.00 0.00 H ATOM 686 HG21 THR A 45 30.251 -4.416 8.483 1.00 0.00 H ATOM 687 HG22 THR A 45 30.020 -4.149 10.228 1.00 0.00 H ATOM 688 H THR A 45 33.734 -1.307 8.962 1.00 0.00 H ATOM 689 N PHE A 46 30.228 -1.629 6.788 1.00 10.24 N ATOM 690 CA PHE A 46 29.109 -0.747 6.463 1.00 10.70 C ATOM 691 C PHE A 46 27.825 -1.362 6.973 1.00 11.18 C ATOM 692 O PHE A 46 27.587 -2.556 6.792 1.00 10.60 O ATOM 693 CB PHE A 46 28.997 -0.503 4.947 1.00 10.83 C ATOM 694 CG PHE A 46 30.123 0.327 4.394 1.00 10.52 C ATOM 695 CD1 PHE A 46 30.126 1.714 4.547 1.00 10.15 C ATOM 696 CD2 PHE A 46 31.222 -0.283 3.783 1.00 9.94 C ATOM 697 CE1 PHE A 46 31.196 2.483 4.068 1.00 10.12 C ATOM 698 CE2 PHE A 46 32.281 0.483 3.285 1.00 9.32 C ATOM 699 CZ PHE A 46 32.268 1.864 3.430 1.00 9.99 C ATOM 700 HA PHE A 46 29.285 0.215 6.943 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.996 -1.468 4.440 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.057 0.011 4.747 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.254 -1.369 3.693 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.117 -0.004 2.783 1.00 0.00 H ATOM 705 HZ PHE A 46 33.094 2.462 3.046 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.189 3.566 4.195 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.289 2.204 5.044 1.00 0.00 H ATOM 708 H PHE A 46 30.320 -2.526 6.269 1.00 0.00 H ATOM 709 N VAL A 47 27.014 -0.531 7.616 1.00 11.83 N ATOM 710 CA VAL A 47 25.725 -0.930 8.158 1.00 12.73 C ATOM 711 C VAL A 47 24.594 -0.461 7.235 1.00 13.02 C ATOM 712 O VAL A 47 24.507 0.730 6.909 1.00 12.98 O ATOM 713 CB VAL A 47 25.510 -0.336 9.570 1.00 12.64 C ATOM 714 CG1 VAL A 47 24.211 -0.841 10.162 1.00 11.75 C ATOM 715 CG2 VAL A 47 26.683 -0.692 10.488 1.00 12.10 C ATOM 716 HA VAL A 47 25.714 -2.018 8.228 1.00 0.00 H ATOM 717 HB VAL A 47 25.456 0.749 9.481 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.381 -0.544 9.521 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.245 -1.928 10.235 1.00 0.00 H ATOM 720 HG13 VAL A 47 24.075 -0.413 11.155 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.764 -1.776 10.568 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.605 -0.288 10.070 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.512 -0.265 11.476 1.00 0.00 H ATOM 724 H VAL A 47 27.316 0.457 7.739 1.00 0.00 H ATOM 725 N HIS A 48 23.737 -1.396 6.821 1.00 13.62 N ATOM 726 CA HIS A 48 22.613 -1.063 5.926 1.00 14.67 C ATOM 727 C HIS A 48 21.316 -1.012 6.710 1.00 14.72 C ATOM 728 O HIS A 48 20.464 -1.887 6.571 1.00 14.97 O ATOM 729 CB HIS A 48 22.461 -2.081 4.793 1.00 14.21 C ATOM 730 CG HIS A 48 23.745 -2.427 4.105 1.00 16.35 C ATOM 731 ND1 HIS A 48 24.412 -1.544 3.282 1.00 16.20 N ATOM 732 CD2 HIS A 48 24.473 -3.568 4.104 1.00 16.18 C ATOM 733 CE1 HIS A 48 25.495 -2.129 2.803 1.00 18.92 C ATOM 734 NE2 HIS A 48 25.555 -3.357 3.286 1.00 18.28 N ATOM 735 HA HIS A 48 22.832 -0.088 5.490 1.00 0.00 H ATOM 736 HB2 HIS A 48 22.038 -2.995 5.209 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.776 -1.669 4.052 1.00 0.00 H ATOM 738 HD2 HIS A 48 24.243 -4.483 4.650 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.217 -1.675 2.124 1.00 0.00 H ATOM 740 H HIS A 48 23.864 -2.379 7.136 1.00 0.00 H ATOM 741 N GLU A 49 21.198 -0.001 7.564 1.00 14.97 N ATOM 742 CA GLU A 49 19.993 0.232 8.356 1.00 14.32 C ATOM 743 C GLU A 49 19.840 1.735 8.414 1.00 14.31 C ATOM 744 O GLU A 49 20.779 2.450 8.080 1.00 13.89 O ATOM 745 CB GLU A 49 20.135 -0.328 9.782 1.00 14.47 C ATOM 746 CG GLU A 49 20.427 -1.843 9.883 1.00 13.69 C ATOM 747 CD GLU A 49 19.264 -2.729 9.472 1.00 13.36 C ATOM 748 OE1 GLU A 49 18.133 -2.217 9.336 1.00 14.08 O ATOM 749 OE2 GLU A 49 19.483 -3.947 9.279 1.00 12.46 O ATOM 750 HA GLU A 49 19.132 -0.265 7.910 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.951 0.204 10.271 1.00 0.00 H ATOM 752 HB3 GLU A 49 19.204 -0.130 10.314 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.276 -2.072 9.239 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.685 -2.074 10.917 1.00 0.00 H ATOM 755 H GLU A 49 21.999 0.653 7.673 1.00 0.00 H ATOM 756 N SER A 50 18.684 2.215 8.860 1.00 14.42 N ATOM 757 CA SER A 50 18.466 3.656 8.984 1.00 14.80 C ATOM 758 C SER A 50 19.453 4.275 9.976 1.00 15.10 C ATOM 759 O SER A 50 19.909 3.608 10.901 1.00 14.96 O ATOM 760 CB SER A 50 17.019 3.952 9.378 1.00 14.44 C ATOM 761 OG SER A 50 16.763 3.700 10.750 1.00 13.84 O ATOM 762 HA SER A 50 18.647 4.114 8.012 1.00 0.00 H ATOM 763 HB2 SER A 50 16.359 3.325 8.779 1.00 0.00 H ATOM 764 HB3 SER A 50 16.808 5.001 9.171 1.00 0.00 H ATOM 765 HG SER A 50 15.816 3.907 10.951 1.00 0.00 H ATOM 766 H SER A 50 17.924 1.557 9.125 1.00 0.00 H ATOM 767 N LEU A 51 19.800 5.543 9.772 1.00 15.12 N ATOM 768 CA LEU A 51 20.601 6.259 10.765 1.00 15.21 C ATOM 769 C LEU A 51 19.907 6.272 12.140 1.00 14.85 C ATOM 770 O LEU A 51 20.565 6.149 13.166 1.00 14.19 O ATOM 771 CB LEU A 51 20.957 7.679 10.291 1.00 14.86 C ATOM 772 CG LEU A 51 21.781 8.578 11.228 1.00 14.67 C ATOM 773 CD1 LEU A 51 23.147 7.972 11.559 1.00 15.12 C ATOM 774 CD2 LEU A 51 21.951 9.973 10.638 1.00 15.54 C ATOM 775 HA LEU A 51 21.540 5.718 10.880 1.00 0.00 H ATOM 776 HB2 LEU A 51 21.520 7.578 9.363 1.00 0.00 H ATOM 777 HB3 LEU A 51 20.019 8.197 10.090 1.00 0.00 H ATOM 778 HG LEU A 51 21.222 8.656 12.160 1.00 0.00 H ATOM 779 HD21 LEU A 51 22.466 9.901 9.680 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.971 10.426 10.491 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.537 10.586 11.322 1.00 0.00 H ATOM 782 HD11 LEU A 51 23.007 7.009 12.050 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.714 7.832 10.638 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.690 8.644 12.223 1.00 0.00 H ATOM 785 H LEU A 51 19.500 6.028 8.902 1.00 0.00 H ATOM 786 N ALA A 52 18.581 6.409 12.162 1.00 15.18 N ATOM 787 CA ALA A 52 17.831 6.343 13.429 1.00 14.61 C ATOM 788 C ALA A 52 18.045 5.002 14.152 1.00 14.54 C ATOM 789 O ALA A 52 18.293 4.977 15.368 1.00 14.40 O ATOM 790 CB ALA A 52 16.328 6.616 13.193 1.00 15.09 C ATOM 791 HA ALA A 52 18.221 7.125 14.081 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.204 7.609 12.762 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.927 5.869 12.508 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.797 6.562 14.143 1.00 0.00 H ATOM 795 H ALA A 52 18.068 6.565 11.271 1.00 0.00 H ATOM 796 N ASP A 53 17.992 3.895 13.406 1.00 13.83 N ATOM 797 CA ASP A 53 18.158 2.567 14.007 1.00 13.87 C ATOM 798 C ASP A 53 19.571 2.373 14.598 1.00 13.66 C ATOM 799 O ASP A 53 19.718 1.789 15.674 1.00 13.51 O ATOM 800 CB ASP A 53 17.844 1.449 13.004 1.00 13.61 C ATOM 801 CG ASP A 53 16.346 1.239 12.787 1.00 14.95 C ATOM 802 OD1 ASP A 53 15.519 1.881 13.474 1.00 15.74 O ATOM 803 OD2 ASP A 53 15.990 0.424 11.912 1.00 14.97 O ATOM 804 HA ASP A 53 17.440 2.506 14.825 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.301 1.703 12.047 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.274 0.519 13.375 1.00 0.00 H ATOM 807 H ASP A 53 17.830 3.976 12.382 1.00 0.00 H ATOM 808 N VAL A 54 20.599 2.856 13.894 1.00 13.29 N ATOM 809 CA VAL A 54 21.992 2.692 14.344 1.00 12.39 C ATOM 810 C VAL A 54 22.280 3.623 15.534 1.00 12.67 C ATOM 811 O VAL A 54 22.915 3.217 16.515 1.00 12.91 O ATOM 812 CB VAL A 54 22.992 2.913 13.170 1.00 13.16 C ATOM 813 CG1 VAL A 54 24.461 2.900 13.655 1.00 11.85 C ATOM 814 CG2 VAL A 54 22.774 1.840 12.112 1.00 13.04 C ATOM 815 HA VAL A 54 22.131 1.666 14.685 1.00 0.00 H ATOM 816 HB VAL A 54 22.803 3.897 12.742 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.608 3.696 14.385 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.682 1.937 14.116 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.124 3.058 12.805 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.941 0.857 12.553 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.752 1.903 11.738 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.473 1.994 11.290 1.00 0.00 H ATOM 823 H VAL A 54 20.411 3.361 13.005 1.00 0.00 H ATOM 824 N GLN A 55 21.783 4.860 15.466 1.00 11.98 N ATOM 825 CA GLN A 55 21.945 5.808 16.564 1.00 12.14 C ATOM 826 C GLN A 55 21.291 5.267 17.837 1.00 11.73 C ATOM 827 O GLN A 55 21.806 5.453 18.928 1.00 11.97 O ATOM 828 CB GLN A 55 21.356 7.174 16.201 1.00 12.43 C ATOM 829 CG GLN A 55 22.225 7.976 15.228 1.00 12.84 C ATOM 830 CD GLN A 55 21.580 9.288 14.809 1.00 12.38 C ATOM 831 OE1 GLN A 55 22.276 10.257 14.518 1.00 14.70 O ATOM 832 NE2 GLN A 55 20.253 9.317 14.756 1.00 10.25 N ATOM 833 HA GLN A 55 23.012 5.936 16.746 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.379 7.018 15.743 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.238 7.753 17.117 1.00 0.00 H ATOM 836 HG2 GLN A 55 23.178 8.194 15.710 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.399 7.373 14.337 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.704 8.472 15.012 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.763 10.185 14.459 1.00 0.00 H ATOM 840 H GLN A 55 21.269 5.155 14.611 1.00 0.00 H ATOM 841 N ALA A 56 20.164 4.584 17.676 1.00 12.17 N ATOM 842 CA ALA A 56 19.422 4.007 18.801 1.00 12.14 C ATOM 843 C ALA A 56 20.218 2.908 19.521 1.00 11.85 C ATOM 844 O ALA A 56 19.947 2.611 20.686 1.00 11.78 O ATOM 845 CB ALA A 56 18.067 3.484 18.339 1.00 12.31 C ATOM 846 HA ALA A 56 19.259 4.806 19.524 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.487 4.305 17.917 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.215 2.714 17.581 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.533 3.060 19.190 1.00 0.00 H ATOM 850 H ALA A 56 19.793 4.453 16.713 1.00 0.00 H ATOM 851 N VAL A 57 21.223 2.343 18.856 1.00 11.25 N ATOM 852 CA VAL A 57 22.054 1.331 19.504 1.00 11.37 C ATOM 853 C VAL A 57 22.789 1.900 20.736 1.00 11.70 C ATOM 854 O VAL A 57 23.091 1.155 21.660 1.00 11.79 O ATOM 855 CB VAL A 57 23.021 0.608 18.521 1.00 11.20 C ATOM 856 CG1 VAL A 57 23.840 -0.444 19.248 1.00 9.38 C ATOM 857 CG2 VAL A 57 22.230 -0.027 17.388 1.00 10.07 C ATOM 858 HA VAL A 57 21.371 0.560 19.861 1.00 0.00 H ATOM 859 HB VAL A 57 23.708 1.345 18.105 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.427 0.033 20.033 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.171 -1.182 19.690 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.508 -0.935 18.541 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.527 -0.752 17.799 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.683 0.747 16.850 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.915 -0.530 16.706 1.00 0.00 H ATOM 866 H VAL A 57 21.417 2.622 17.873 1.00 0.00 H ATOM 867 N CYS A 58 23.035 3.215 20.762 1.00 11.79 N ATOM 868 CA CYS A 58 23.662 3.859 21.931 1.00 12.40 C ATOM 869 C CYS A 58 22.830 3.772 23.232 1.00 12.34 C ATOM 870 O CYS A 58 23.335 4.058 24.315 1.00 11.84 O ATOM 871 CB CYS A 58 24.016 5.325 21.645 1.00 12.74 C ATOM 872 SG CYS A 58 25.224 5.549 20.358 1.00 13.18 S ATOM 873 HA CYS A 58 24.572 3.285 22.102 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.407 5.767 22.561 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.104 5.846 21.352 1.00 0.00 H ATOM 876 H CYS A 58 22.778 3.796 19.939 1.00 0.00 H ATOM 877 N SER A 59 21.577 3.342 23.127 1.00 12.75 N ATOM 878 CA SER A 59 20.714 3.197 24.303 1.00 12.92 C ATOM 879 C SER A 59 20.375 1.723 24.530 1.00 12.77 C ATOM 880 O SER A 59 19.500 1.384 25.338 1.00 12.54 O ATOM 881 CB SER A 59 19.445 4.024 24.131 1.00 13.37 C ATOM 882 OG SER A 59 18.710 3.576 22.996 1.00 16.30 O ATOM 883 HA SER A 59 21.246 3.566 25.180 1.00 0.00 H ATOM 884 HB2 SER A 59 19.714 5.071 23.994 1.00 0.00 H ATOM 885 HB3 SER A 59 18.826 3.923 25.023 1.00 0.00 H ATOM 886 HG SER A 59 19.269 3.670 22.184 1.00 0.00 H ATOM 887 H SER A 59 21.200 3.103 22.188 1.00 0.00 H ATOM 888 N GLN A 60 21.089 0.849 23.828 1.00 11.97 N ATOM 889 CA GLN A 60 20.818 -0.589 23.877 1.00 11.83 C ATOM 890 C GLN A 60 21.768 -1.333 24.847 1.00 11.86 C ATOM 891 O GLN A 60 22.014 -0.827 25.946 1.00 11.51 O ATOM 892 CB GLN A 60 20.710 -1.170 22.451 1.00 10.97 C ATOM 893 CG GLN A 60 19.488 -0.546 21.715 1.00 11.39 C ATOM 894 CD GLN A 60 19.241 -1.007 20.263 1.00 12.20 C ATOM 895 OE1 GLN A 60 19.768 -2.014 19.792 1.00 11.99 O ATOM 896 NE2 GLN A 60 18.405 -0.247 19.555 1.00 11.96 N ATOM 897 HA GLN A 60 19.837 -0.757 24.322 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.621 -0.942 21.897 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.583 -2.251 22.510 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.596 -0.786 22.294 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.629 0.535 21.699 1.00 0.00 H ATOM 902 HE22 GLN A 60 17.978 0.598 19.986 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.180 -0.499 18.571 1.00 0.00 H ATOM 904 H GLN A 60 21.863 1.197 23.226 1.00 0.00 H ATOM 905 N LYS A 61 22.256 -2.523 24.493 1.00 11.97 N ATOM 906 CA LYS A 61 23.009 -3.356 25.466 1.00 13.15 C ATOM 907 C LYS A 61 24.451 -2.879 25.675 1.00 12.69 C ATOM 908 O LYS A 61 25.279 -2.972 24.777 1.00 13.73 O ATOM 909 CB LYS A 61 23.000 -4.824 25.040 1.00 12.80 C ATOM 910 CG LYS A 61 23.587 -5.794 26.066 1.00 15.48 C ATOM 911 CD LYS A 61 23.864 -7.130 25.385 1.00 19.09 C ATOM 912 CE LYS A 61 24.636 -8.060 26.286 1.00 23.90 C ATOM 913 NZ LYS A 61 25.460 -9.033 25.482 1.00 26.11 N ATOM 914 HA LYS A 61 22.496 -3.250 26.422 1.00 0.00 H ATOM 915 HB2 LYS A 61 21.967 -5.116 24.850 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.577 -4.914 24.120 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.516 -5.387 26.464 1.00 0.00 H ATOM 918 HG3 LYS A 61 22.877 -5.939 26.880 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.915 -7.598 25.122 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.443 -6.953 24.479 1.00 0.00 H ATOM 921 HE2 LYS A 61 23.935 -8.616 26.909 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.298 -7.472 26.922 1.00 0.00 H ATOM 923 HZ1 LYS A 61 24.832 -9.600 24.877 1.00 0.00 H ATOM 924 HZ2 LYS A 61 26.134 -8.508 24.889 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.981 -9.661 26.127 1.00 0.00 H ATOM 926 H LYS A 61 22.108 -2.872 23.525 1.00 0.00 H ATOM 927 N ASN A 62 24.739 -2.388 26.873 1.00 12.89 N ATOM 928 CA ASN A 62 26.049 -1.852 27.217 1.00 12.57 C ATOM 929 C ASN A 62 27.027 -3.015 27.397 1.00 12.20 C ATOM 930 O ASN A 62 26.771 -3.920 28.182 1.00 11.32 O ATOM 931 CB ASN A 62 25.916 -1.005 28.495 1.00 12.59 C ATOM 932 CG ASN A 62 27.206 -0.249 28.880 1.00 13.34 C ATOM 933 OD1 ASN A 62 27.430 -0.010 30.058 1.00 13.52 O ATOM 934 ND2 ASN A 62 28.028 0.145 27.902 1.00 11.58 N ATOM 935 HA ASN A 62 26.434 -1.210 26.425 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.122 -0.274 28.342 1.00 0.00 H ATOM 937 HB3 ASN A 62 25.646 -1.666 29.319 1.00 0.00 H ATOM 938 HD22 ASN A 62 27.802 -0.078 26.912 1.00 0.00 H ATOM 939 HD21 ASN A 62 28.893 0.674 28.132 1.00 0.00 H ATOM 940 H ASN A 62 23.995 -2.386 27.600 1.00 0.00 H ATOM 941 N VAL A 63 28.105 -3.018 26.606 1.00 11.46 N ATOM 942 CA VAL A 63 29.120 -4.078 26.649 1.00 10.83 C ATOM 943 C VAL A 63 30.498 -3.427 26.680 1.00 10.47 C ATOM 944 O VAL A 63 30.669 -2.278 26.272 1.00 10.40 O ATOM 945 CB VAL A 63 29.021 -5.088 25.448 1.00 11.17 C ATOM 946 CG1 VAL A 63 27.649 -5.820 25.413 1.00 10.35 C ATOM 947 CG2 VAL A 63 29.274 -4.395 24.115 1.00 9.91 C ATOM 948 HA VAL A 63 28.946 -4.668 27.549 1.00 0.00 H ATOM 949 HB VAL A 63 29.799 -5.835 25.607 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.512 -6.378 26.339 1.00 0.00 H ATOM 951 HG12 VAL A 63 26.850 -5.086 25.308 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.627 -6.507 24.567 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.532 -3.610 23.969 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.272 -3.958 24.118 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.198 -5.124 23.308 1.00 0.00 H ATOM 956 H VAL A 63 28.230 -2.236 25.932 1.00 0.00 H ATOM 957 N ALA A 64 31.480 -4.147 27.200 1.00 10.20 N ATOM 958 CA ALA A 64 32.855 -3.659 27.193 1.00 10.06 C ATOM 959 C ALA A 64 33.329 -3.512 25.738 1.00 10.03 C ATOM 960 O ALA A 64 33.035 -4.370 24.895 1.00 9.73 O ATOM 961 CB ALA A 64 33.747 -4.612 27.959 1.00 9.41 C ATOM 962 HA ALA A 64 32.905 -2.686 27.681 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.398 -4.686 28.989 1.00 0.00 H ATOM 964 HB2 ALA A 64 33.713 -5.596 27.491 1.00 0.00 H ATOM 965 HB3 ALA A 64 34.771 -4.238 27.947 1.00 0.00 H ATOM 966 H ALA A 64 31.268 -5.075 27.620 1.00 0.00 H ATOM 967 N CYS A 65 34.038 -2.414 25.462 1.00 10.14 N ATOM 968 CA CYS A 65 34.718 -2.224 24.191 1.00 11.15 C ATOM 969 C CYS A 65 35.981 -3.061 24.159 1.00 11.01 C ATOM 970 O CYS A 65 36.542 -3.402 25.213 1.00 11.74 O ATOM 971 CB CYS A 65 35.120 -0.750 23.979 1.00 10.87 C ATOM 972 SG CYS A 65 33.811 0.460 24.025 1.00 12.03 S ATOM 973 HA CYS A 65 34.028 -2.524 23.403 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.602 -0.677 23.004 1.00 0.00 H ATOM 975 HB3 CYS A 65 35.837 -0.489 24.757 1.00 0.00 H ATOM 976 H CYS A 65 34.106 -1.667 26.183 1.00 0.00 H ATOM 977 N LYS A 66 36.459 -3.332 22.949 1.00 11.58 N ATOM 978 CA LYS A 66 37.696 -4.099 22.758 1.00 12.32 C ATOM 979 C LYS A 66 38.912 -3.452 23.414 1.00 12.39 C ATOM 980 O LYS A 66 39.801 -4.153 23.894 1.00 12.20 O ATOM 981 CB LYS A 66 37.959 -4.342 21.273 1.00 12.81 C ATOM 982 CG LYS A 66 37.123 -5.451 20.676 1.00 14.30 C ATOM 983 CD LYS A 66 37.306 -5.541 19.168 1.00 18.22 C ATOM 984 CE LYS A 66 36.648 -6.798 18.642 1.00 21.46 C ATOM 985 NZ LYS A 66 36.711 -6.874 17.157 1.00 25.27 N ATOM 986 HA LYS A 66 37.542 -5.055 23.258 1.00 0.00 H ATOM 987 HB2 LYS A 66 37.745 -3.421 20.731 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.011 -4.600 21.148 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.419 -6.399 21.126 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.072 -5.259 20.894 1.00 0.00 H ATOM 991 HD2 LYS A 66 36.851 -4.670 18.696 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.370 -5.565 18.934 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.603 -6.806 18.952 1.00 0.00 H ATOM 994 HE3 LYS A 66 37.157 -7.665 19.062 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.222 -6.053 16.748 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.706 -6.873 16.853 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.250 -7.749 16.836 1.00 0.00 H ATOM 998 H LYS A 66 35.942 -2.991 22.114 1.00 0.00 H ATOM 999 N ASN A 67 38.939 -2.122 23.458 1.00 12.87 N ATOM 1000 CA ASN A 67 40.045 -1.400 24.106 1.00 13.56 C ATOM 1001 C ASN A 67 39.889 -1.310 25.625 1.00 13.20 C ATOM 1002 O ASN A 67 40.721 -0.716 26.299 1.00 13.44 O ATOM 1003 CB ASN A 67 40.204 0.015 23.512 1.00 13.86 C ATOM 1004 CG ASN A 67 39.011 0.936 23.827 1.00 14.44 C ATOM 1005 OD1 ASN A 67 38.110 0.580 24.580 1.00 14.43 O ATOM 1006 ND2 ASN A 67 39.023 2.135 23.254 1.00 16.67 N ATOM 1007 HA ASN A 67 40.945 -1.982 23.905 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.108 0.465 23.922 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.301 -0.071 22.430 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.804 2.401 22.621 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.251 2.807 23.438 1.00 0.00 H ATOM 1012 H ASN A 67 38.162 -1.582 23.025 1.00 0.00 H ATOM 1013 N GLY A 68 38.806 -1.859 26.158 1.00 12.62 N ATOM 1014 CA GLY A 68 38.587 -1.847 27.599 1.00 12.55 C ATOM 1015 C GLY A 68 37.741 -0.724 28.164 1.00 13.08 C ATOM 1016 O GLY A 68 37.412 -0.724 29.362 1.00 12.49 O ATOM 1017 HA3 GLY A 68 39.564 -1.794 28.079 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.104 -2.787 27.865 1.00 0.00 H ATOM 1019 H GLY A 68 38.101 -2.306 25.537 1.00 0.00 H ATOM 1020 N GLN A 69 37.382 0.237 27.313 1.00 13.55 N ATOM 1021 CA GLN A 69 36.490 1.311 27.716 1.00 14.18 C ATOM 1022 C GLN A 69 35.097 0.699 27.884 1.00 14.18 C ATOM 1023 O GLN A 69 34.858 -0.447 27.469 1.00 14.60 O ATOM 1024 CB GLN A 69 36.481 2.446 26.676 1.00 14.10 C ATOM 1025 CG GLN A 69 37.781 3.225 26.568 1.00 17.18 C ATOM 1026 CD GLN A 69 38.121 3.944 27.849 1.00 20.59 C ATOM 1027 OE1 GLN A 69 37.627 5.044 28.117 1.00 23.21 O ATOM 1028 NE2 GLN A 69 38.980 3.335 28.648 1.00 21.32 N ATOM 1029 HA GLN A 69 36.825 1.757 28.652 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.265 2.010 25.701 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.688 3.145 26.944 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.587 2.532 26.329 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.686 3.959 25.768 1.00 0.00 H ATOM 1034 HE22 GLN A 69 39.371 2.409 28.382 1.00 0.00 H ATOM 1035 HE21 GLN A 69 39.265 3.782 29.543 1.00 0.00 H ATOM 1036 H GLN A 69 37.748 0.218 26.340 1.00 0.00 H ATOM 1037 N THR A 70 34.192 1.453 28.501 1.00 13.81 N ATOM 1038 CA THR A 70 32.903 0.921 28.909 1.00 14.07 C ATOM 1039 C THR A 70 31.741 1.493 28.087 1.00 13.32 C ATOM 1040 O THR A 70 30.582 1.159 28.336 1.00 14.01 O ATOM 1041 CB THR A 70 32.635 1.191 30.416 1.00 13.85 C ATOM 1042 OG1 THR A 70 32.584 2.607 30.648 1.00 16.95 O ATOM 1043 CG2 THR A 70 33.725 0.584 31.293 1.00 15.18 C ATOM 1044 HA THR A 70 32.953 -0.153 28.729 1.00 0.00 H ATOM 1045 HB THR A 70 31.683 0.728 30.676 1.00 0.00 H ATOM 1046 HG1 THR A 70 31.856 3.003 30.107 1.00 0.00 H ATOM 1047 HG23 THR A 70 33.770 -0.492 31.122 1.00 0.00 H ATOM 1048 HG21 THR A 70 34.685 1.034 31.040 1.00 0.00 H ATOM 1049 HG22 THR A 70 33.496 0.778 32.341 1.00 0.00 H ATOM 1050 H THR A 70 34.413 2.450 28.697 1.00 0.00 H ATOM 1051 N ASN A 71 32.050 2.343 27.111 1.00 12.27 N ATOM 1052 CA ASN A 71 31.028 3.043 26.333 1.00 12.17 C ATOM 1053 C ASN A 71 30.617 2.353 25.006 1.00 12.09 C ATOM 1054 O ASN A 71 30.301 3.031 24.013 1.00 10.94 O ATOM 1055 CB ASN A 71 31.480 4.494 26.065 1.00 12.20 C ATOM 1056 CG ASN A 71 32.737 4.561 25.197 1.00 12.64 C ATOM 1057 OD1 ASN A 71 33.728 3.880 25.470 1.00 10.30 O ATOM 1058 ND2 ASN A 71 32.689 5.359 24.135 1.00 12.82 N ATOM 1059 HA ASN A 71 30.129 3.022 26.949 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.674 5.024 25.557 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.687 4.979 27.019 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.833 5.916 23.942 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.508 5.426 23.497 1.00 0.00 H ATOM 1064 H ASN A 71 33.052 2.516 26.894 1.00 0.00 H ATOM 1065 N CYS A 72 30.626 1.016 24.992 1.00 11.84 N ATOM 1066 CA CYS A 72 30.170 0.257 23.817 1.00 11.89 C ATOM 1067 C CYS A 72 28.782 -0.342 24.011 1.00 12.07 C ATOM 1068 O CYS A 72 28.379 -0.650 25.140 1.00 12.44 O ATOM 1069 CB CYS A 72 31.192 -0.802 23.390 1.00 11.81 C ATOM 1070 SG CYS A 72 32.579 -0.049 22.523 1.00 11.11 S ATOM 1071 HA CYS A 72 30.086 0.974 23.000 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.706 -1.520 22.730 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.563 -1.318 24.276 1.00 0.00 H ATOM 1074 H CYS A 72 30.963 0.501 25.830 1.00 0.00 H ATOM 1075 N TYR A 73 28.065 -0.503 22.902 1.00 11.71 N ATOM 1076 CA TYR A 73 26.664 -0.927 22.916 1.00 12.07 C ATOM 1077 C TYR A 73 26.403 -1.885 21.764 1.00 11.67 C ATOM 1078 O TYR A 73 26.755 -1.603 20.619 1.00 11.89 O ATOM 1079 CB TYR A 73 25.721 0.292 22.844 1.00 11.78 C ATOM 1080 CG TYR A 73 25.945 1.244 23.995 1.00 12.63 C ATOM 1081 CD1 TYR A 73 26.945 2.221 23.925 1.00 11.79 C ATOM 1082 CD2 TYR A 73 25.178 1.158 25.164 1.00 10.55 C ATOM 1083 CE1 TYR A 73 27.190 3.068 24.975 1.00 11.87 C ATOM 1084 CE2 TYR A 73 25.412 2.032 26.232 1.00 11.75 C ATOM 1085 CZ TYR A 73 26.434 2.966 26.121 1.00 12.65 C ATOM 1086 OH TYR A 73 26.709 3.842 27.140 1.00 16.29 O ATOM 1087 HA TYR A 73 26.463 -1.445 23.854 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.689 -0.058 22.871 1.00 0.00 H ATOM 1089 HB2 TYR A 73 25.899 0.821 21.908 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.394 0.405 25.242 1.00 0.00 H ATOM 1091 HE2 TYR A 73 24.803 1.981 27.135 1.00 0.00 H ATOM 1092 HE1 TYR A 73 27.978 3.817 24.903 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.541 2.310 23.017 1.00 0.00 H ATOM 1094 HH TYR A 73 27.465 4.425 26.877 1.00 0.00 H ATOM 1095 H TYR A 73 28.520 -0.320 21.985 1.00 0.00 H ATOM 1096 N GLN A 74 25.814 -3.027 22.100 1.00 11.53 N ATOM 1097 CA GLN A 74 25.462 -4.070 21.148 1.00 12.04 C ATOM 1098 C GLN A 74 23.974 -4.000 20.801 1.00 12.03 C ATOM 1099 O GLN A 74 23.124 -3.843 21.688 1.00 12.13 O ATOM 1100 CB GLN A 74 25.790 -5.427 21.762 1.00 11.73 C ATOM 1101 CG GLN A 74 25.559 -6.637 20.869 1.00 13.51 C ATOM 1102 CD GLN A 74 26.003 -7.891 21.563 1.00 16.60 C ATOM 1103 OE1 GLN A 74 27.087 -7.937 22.138 1.00 17.17 O ATOM 1104 NE2 GLN A 74 25.155 -8.900 21.559 1.00 15.09 N ATOM 1105 HA GLN A 74 26.033 -3.929 20.230 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.842 -5.419 22.047 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.174 -5.548 22.653 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.497 -6.713 20.634 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.127 -6.516 19.946 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.248 -8.815 21.058 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.393 -9.781 22.057 1.00 0.00 H ATOM 1112 H GLN A 74 25.591 -3.185 23.103 1.00 0.00 H ATOM 1113 N SER A 75 23.664 -4.115 19.512 1.00 12.29 N ATOM 1114 CA SER A 75 22.288 -4.022 19.041 1.00 11.92 C ATOM 1115 C SER A 75 21.489 -5.224 19.531 1.00 11.89 C ATOM 1116 O SER A 75 21.975 -6.355 19.501 1.00 12.08 O ATOM 1117 CB SER A 75 22.215 -3.888 17.504 1.00 11.70 C ATOM 1118 OG SER A 75 22.722 -5.018 16.813 1.00 11.84 O ATOM 1119 HA SER A 75 21.847 -3.116 19.456 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.793 -3.013 17.206 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.172 -3.748 17.219 1.00 0.00 H ATOM 1122 HG SER A 75 22.200 -5.820 17.066 1.00 0.00 H ATOM 1123 H SER A 75 24.425 -4.276 18.821 1.00 0.00 H ATOM 1124 N TYR A 76 20.271 -4.966 19.999 1.00 11.91 N ATOM 1125 CA TYR A 76 19.364 -6.031 20.405 1.00 11.82 C ATOM 1126 C TYR A 76 18.926 -6.895 19.214 1.00 12.16 C ATOM 1127 O TYR A 76 18.658 -8.084 19.365 1.00 12.08 O ATOM 1128 CB TYR A 76 18.138 -5.445 21.129 1.00 12.07 C ATOM 1129 CG TYR A 76 18.450 -4.854 22.489 1.00 11.95 C ATOM 1130 CD1 TYR A 76 19.150 -5.585 23.445 1.00 10.90 C ATOM 1131 CD2 TYR A 76 18.002 -3.583 22.836 1.00 12.08 C ATOM 1132 CE1 TYR A 76 19.430 -5.049 24.690 1.00 11.40 C ATOM 1133 CE2 TYR A 76 18.275 -3.041 24.085 1.00 11.74 C ATOM 1134 CZ TYR A 76 18.998 -3.778 25.001 1.00 11.27 C ATOM 1135 OH TYR A 76 19.296 -3.252 26.243 1.00 13.80 O ATOM 1136 HA TYR A 76 19.905 -6.679 21.094 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.405 -6.241 21.261 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.713 -4.660 20.503 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.427 -3.003 22.115 1.00 0.00 H ATOM 1140 HE2 TYR A 76 17.921 -2.042 24.340 1.00 0.00 H ATOM 1141 HE1 TYR A 76 19.990 -5.630 25.422 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.483 -6.596 23.209 1.00 0.00 H ATOM 1143 HH TYR A 76 19.830 -2.426 26.131 1.00 0.00 H ATOM 1144 H TYR A 76 19.958 -3.977 20.077 1.00 0.00 H ATOM 1145 N SER A 77 18.841 -6.288 18.039 1.00 12.46 N ATOM 1146 CA SER A 77 18.461 -7.008 16.817 1.00 13.66 C ATOM 1147 C SER A 77 19.665 -7.200 15.909 1.00 13.64 C ATOM 1148 O SER A 77 20.613 -6.412 15.950 1.00 13.29 O ATOM 1149 CB SER A 77 17.376 -6.226 16.055 1.00 13.66 C ATOM 1150 OG SER A 77 16.184 -6.109 16.815 1.00 15.06 O ATOM 1151 HA SER A 77 18.074 -7.984 17.108 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.152 -6.747 15.124 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.752 -5.228 15.830 1.00 0.00 H ATOM 1154 HG SER A 77 15.511 -5.602 16.295 1.00 0.00 H ATOM 1155 H SER A 77 19.050 -5.271 17.981 1.00 0.00 H ATOM 1156 N THR A 78 19.630 -8.230 15.063 1.00 14.14 N ATOM 1157 CA THR A 78 20.655 -8.343 14.032 1.00 14.51 C ATOM 1158 C THR A 78 20.404 -7.218 13.021 1.00 14.73 C ATOM 1159 O THR A 78 19.259 -6.761 12.851 1.00 14.15 O ATOM 1160 CB THR A 78 20.635 -9.705 13.302 1.00 14.46 C ATOM 1161 OG1 THR A 78 19.438 -9.810 12.525 1.00 15.07 O ATOM 1162 CG2 THR A 78 20.698 -10.866 14.289 1.00 14.29 C ATOM 1163 HA THR A 78 21.634 -8.265 14.505 1.00 0.00 H ATOM 1164 HB THR A 78 21.511 -9.757 12.656 1.00 0.00 H ATOM 1165 HG1 THR A 78 18.651 -9.743 13.122 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.609 -10.788 14.882 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.830 -10.829 14.947 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.700 -11.808 13.740 1.00 0.00 H ATOM 1169 H THR A 78 18.879 -8.946 15.138 1.00 0.00 H ATOM 1170 N MET A 79 21.481 -6.764 12.383 1.00 15.00 N ATOM 1171 CA MET A 79 21.430 -5.746 11.337 1.00 15.00 C ATOM 1172 C MET A 79 22.131 -6.234 10.071 1.00 14.70 C ATOM 1173 O MET A 79 23.070 -7.050 10.132 1.00 14.41 O ATOM 1174 CB MET A 79 22.080 -4.437 11.820 1.00 14.82 C ATOM 1175 CG MET A 79 21.335 -3.780 12.976 1.00 14.79 C ATOM 1176 SD MET A 79 22.022 -2.179 13.436 1.00 15.73 S ATOM 1177 CE MET A 79 20.701 -1.573 14.485 1.00 13.98 C ATOM 1178 HA MET A 79 20.382 -5.556 11.107 1.00 0.00 H ATOM 1179 HB2 MET A 79 23.097 -4.656 12.144 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.109 -3.737 10.985 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.384 -4.441 13.841 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.294 -3.641 12.685 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.779 -1.513 13.907 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.562 -2.256 15.323 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.962 -0.583 14.860 1.00 0.00 H ATOM 1186 H MET A 79 22.409 -7.155 12.644 1.00 0.00 H ATOM 1187 N SER A 80 21.658 -5.737 8.929 1.00 14.22 N ATOM 1188 CA SER A 80 22.304 -5.976 7.643 1.00 13.52 C ATOM 1189 C SER A 80 23.586 -5.143 7.542 1.00 13.51 C ATOM 1190 O SER A 80 23.554 -3.901 7.603 1.00 13.38 O ATOM 1191 CB SER A 80 21.367 -5.618 6.495 1.00 13.34 C ATOM 1192 OG SER A 80 21.983 -5.914 5.257 1.00 13.66 O ATOM 1193 HA SER A 80 22.552 -7.035 7.573 1.00 0.00 H ATOM 1194 HB2 SER A 80 21.134 -4.554 6.537 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.446 -6.194 6.587 1.00 0.00 H ATOM 1196 HG SER A 80 21.367 -5.678 4.519 1.00 0.00 H ATOM 1197 H SER A 80 20.795 -5.157 8.955 1.00 0.00 H ATOM 1198 N ILE A 81 24.702 -5.839 7.373 1.00 13.31 N ATOM 1199 CA ILE A 81 26.023 -5.211 7.317 1.00 13.40 C ATOM 1200 C ILE A 81 26.872 -5.805 6.194 1.00 13.44 C ATOM 1201 O ILE A 81 26.595 -6.911 5.685 1.00 13.49 O ATOM 1202 CB ILE A 81 26.784 -5.395 8.658 1.00 13.31 C ATOM 1203 CG1 ILE A 81 27.076 -6.888 8.907 1.00 14.20 C ATOM 1204 CG2 ILE A 81 25.988 -4.762 9.830 1.00 12.00 C ATOM 1205 CD1 ILE A 81 28.062 -7.169 10.024 1.00 14.26 C ATOM 1206 HA ILE A 81 25.861 -4.150 7.128 1.00 0.00 H ATOM 1207 HB ILE A 81 27.740 -4.875 8.595 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.135 -7.381 9.154 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.477 -7.313 7.987 1.00 0.00 H ATOM 1210 HD11 ILE A 81 29.017 -6.697 9.791 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.674 -6.765 10.959 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.201 -8.246 10.122 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.854 -3.697 9.643 1.00 0.00 H ATOM 1214 HG22 ILE A 81 25.013 -5.244 9.908 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.539 -4.902 10.760 1.00 0.00 H ATOM 1216 H ILE A 81 24.636 -6.872 7.276 1.00 0.00 H ATOM 1217 N THR A 82 27.904 -5.070 5.807 1.00 13.27 N ATOM 1218 CA THR A 82 28.883 -5.588 4.865 1.00 13.13 C ATOM 1219 C THR A 82 30.256 -5.363 5.440 1.00 13.49 C ATOM 1220 O THR A 82 30.626 -4.229 5.759 1.00 12.91 O ATOM 1221 CB THR A 82 28.786 -4.911 3.493 1.00 12.79 C ATOM 1222 OG1 THR A 82 27.464 -5.090 2.969 1.00 13.67 O ATOM 1223 CG2 THR A 82 29.788 -5.533 2.527 1.00 11.58 C ATOM 1224 HA THR A 82 28.686 -6.649 4.714 1.00 0.00 H ATOM 1225 HB THR A 82 29.006 -3.849 3.607 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.807 -4.682 3.588 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.797 -5.402 2.918 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.575 -6.596 2.419 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.706 -5.044 1.556 1.00 0.00 H ATOM 1230 H THR A 82 28.016 -4.107 6.183 1.00 0.00 H ATOM 1231 N ASP A 83 30.997 -6.449 5.607 1.00 13.94 N ATOM 1232 CA ASP A 83 32.405 -6.346 5.973 1.00 14.54 C ATOM 1233 C ASP A 83 33.253 -6.238 4.720 1.00 14.40 C ATOM 1234 O ASP A 83 33.027 -6.968 3.746 1.00 13.67 O ATOM 1235 CB ASP A 83 32.851 -7.556 6.786 1.00 15.07 C ATOM 1236 CG ASP A 83 32.262 -7.564 8.188 1.00 17.96 C ATOM 1237 OD1 ASP A 83 32.193 -6.487 8.819 1.00 19.81 O ATOM 1238 OD2 ASP A 83 31.882 -8.658 8.664 1.00 21.64 O ATOM 1239 HA ASP A 83 32.533 -5.453 6.585 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.535 -8.461 6.268 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.938 -7.544 6.863 1.00 0.00 H ATOM 1242 H ASP A 83 30.569 -7.387 5.475 1.00 0.00 H ATOM 1243 N CYS A 84 34.217 -5.316 4.767 1.00 14.01 N ATOM 1244 CA CYS A 84 35.202 -5.128 3.713 1.00 14.60 C ATOM 1245 C CYS A 84 36.567 -5.444 4.294 1.00 15.06 C ATOM 1246 O CYS A 84 36.967 -4.865 5.304 1.00 14.53 O ATOM 1247 CB CYS A 84 35.177 -3.685 3.193 1.00 14.60 C ATOM 1248 SG CYS A 84 33.585 -3.188 2.495 1.00 14.43 S ATOM 1249 HA CYS A 84 34.977 -5.786 2.874 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.938 -3.585 2.419 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.413 -3.017 4.021 1.00 0.00 H ATOM 1252 H CYS A 84 34.267 -4.699 5.602 1.00 0.00 H ATOM 1253 N ARG A 85 37.268 -6.378 3.661 1.00 15.86 N ATOM 1254 CA ARG A 85 38.577 -6.792 4.128 1.00 17.04 C ATOM 1255 C ARG A 85 39.554 -6.881 2.976 1.00 17.18 C ATOM 1256 O ARG A 85 39.266 -7.488 1.937 1.00 17.03 O ATOM 1257 CB ARG A 85 38.486 -8.124 4.874 1.00 17.73 C ATOM 1258 CG ARG A 85 39.830 -8.706 5.268 1.00 20.35 C ATOM 1259 CD ARG A 85 39.659 -9.948 6.099 1.00 24.64 C ATOM 1260 NE ARG A 85 40.613 -10.978 5.695 1.00 28.36 N ATOM 1261 CZ ARG A 85 40.577 -12.244 6.108 1.00 29.95 C ATOM 1262 NH1 ARG A 85 39.633 -12.653 6.953 1.00 30.80 N ATOM 1263 NH2 ARG A 85 41.492 -13.103 5.679 1.00 29.84 N ATOM 1264 HA ARG A 85 38.947 -6.039 4.824 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.900 -7.970 5.780 1.00 0.00 H ATOM 1266 HB3 ARG A 85 37.977 -8.842 4.232 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.389 -8.955 4.366 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.384 -7.965 5.844 1.00 0.00 H ATOM 1269 HD2 ARG A 85 38.646 -10.328 5.969 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.822 -9.702 7.148 1.00 0.00 H ATOM 1271 HE ARG A 85 41.373 -10.704 5.040 1.00 0.00 H ATOM 1272 HH12 ARG A 85 39.613 -13.643 7.270 1.00 0.00 H ATOM 1273 HH11 ARG A 85 38.916 -11.982 7.296 1.00 0.00 H ATOM 1274 HH22 ARG A 85 41.467 -14.092 5.999 1.00 0.00 H ATOM 1275 HH21 ARG A 85 42.234 -12.787 5.022 1.00 0.00 H ATOM 1276 H ARG A 85 36.869 -6.823 2.810 1.00 0.00 H ATOM 1277 N GLU A 86 40.718 -6.271 3.181 1.00 17.63 N ATOM 1278 CA GLU A 86 41.753 -6.177 2.163 1.00 17.53 C ATOM 1279 C GLU A 86 42.246 -7.562 1.746 1.00 17.75 C ATOM 1280 O GLU A 86 42.499 -8.419 2.595 1.00 17.78 O ATOM 1281 CB GLU A 86 42.916 -5.335 2.695 1.00 17.33 C ATOM 1282 CG GLU A 86 43.700 -4.622 1.617 1.00 17.98 C ATOM 1283 CD GLU A 86 44.941 -3.920 2.140 1.00 17.61 C ATOM 1284 OE1 GLU A 86 45.748 -3.474 1.308 1.00 17.98 O ATOM 1285 OE2 GLU A 86 45.106 -3.810 3.372 1.00 19.97 O ATOM 1286 HA GLU A 86 41.330 -5.697 1.280 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.514 -4.587 3.379 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.596 -5.992 3.237 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.006 -5.354 0.870 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.052 -3.879 1.152 1.00 0.00 H ATOM 1291 H GLU A 86 40.896 -5.842 4.111 1.00 0.00 H ATOM 1292 N THR A 87 42.354 -7.781 0.438 1.00 17.85 N ATOM 1293 CA THR A 87 42.906 -9.023 -0.095 1.00 18.12 C ATOM 1294 C THR A 87 44.418 -9.030 0.090 1.00 18.23 C ATOM 1295 O THR A 87 45.033 -7.986 0.347 1.00 18.31 O ATOM 1296 CB THR A 87 42.600 -9.207 -1.601 1.00 18.17 C ATOM 1297 OG1 THR A 87 43.269 -8.189 -2.362 1.00 17.62 O ATOM 1298 CG2 THR A 87 41.089 -9.167 -1.866 1.00 18.64 C ATOM 1299 HA THR A 87 42.437 -9.841 0.452 1.00 0.00 H ATOM 1300 HB THR A 87 42.968 -10.185 -1.911 1.00 0.00 H ATOM 1301 HG1 THR A 87 43.069 -8.313 -3.324 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.598 -9.945 -1.281 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.697 -8.192 -1.578 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.903 -9.336 -2.927 1.00 0.00 H ATOM 1305 H THR A 87 42.036 -7.045 -0.225 1.00 0.00 H ATOM 1306 N GLY A 88 45.011 -10.210 -0.039 1.00 18.34 N ATOM 1307 CA GLY A 88 46.462 -10.358 0.021 1.00 18.39 C ATOM 1308 C GLY A 88 47.198 -9.646 -1.101 1.00 18.35 C ATOM 1309 O GLY A 88 48.262 -9.081 -0.873 1.00 18.78 O ATOM 1310 HA3 GLY A 88 46.702 -11.420 -0.030 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.810 -9.954 0.972 1.00 0.00 H ATOM 1312 H GLY A 88 44.424 -11.056 -0.187 1.00 0.00 H ATOM 1313 N SER A 89 46.640 -9.659 -2.311 1.00 18.01 N ATOM 1314 CA SER A 89 47.319 -9.059 -3.463 1.00 17.88 C ATOM 1315 C SER A 89 47.008 -7.565 -3.652 1.00 17.39 C ATOM 1316 O SER A 89 47.400 -6.960 -4.656 1.00 17.24 O ATOM 1317 CB SER A 89 47.015 -9.843 -4.743 1.00 17.95 C ATOM 1318 OG SER A 89 45.750 -9.490 -5.263 1.00 18.91 O ATOM 1319 HA SER A 89 48.386 -9.121 -3.250 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.024 -10.910 -4.519 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.781 -9.623 -5.487 1.00 0.00 H ATOM 1322 HG SER A 89 45.051 -9.692 -4.592 1.00 0.00 H ATOM 1323 H SER A 89 45.708 -10.102 -2.440 1.00 0.00 H ATOM 1324 N SER A 90 46.299 -6.983 -2.689 1.00 16.79 N ATOM 1325 CA SER A 90 45.955 -5.564 -2.711 1.00 16.36 C ATOM 1326 C SER A 90 47.201 -4.734 -2.452 1.00 16.14 C ATOM 1327 O SER A 90 47.887 -4.945 -1.454 1.00 16.35 O ATOM 1328 CB SER A 90 44.893 -5.260 -1.655 1.00 16.08 C ATOM 1329 OG SER A 90 44.695 -3.863 -1.496 1.00 15.96 O ATOM 1330 HA SER A 90 45.552 -5.311 -3.691 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.211 -5.683 -0.702 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.952 -5.718 -1.958 1.00 0.00 H ATOM 1333 HG SER A 90 45.545 -3.440 -1.215 1.00 0.00 H ATOM 1334 H SER A 90 45.976 -7.562 -1.888 1.00 0.00 H ATOM 1335 N LYS A 91 47.494 -3.804 -3.355 1.00 15.83 N ATOM 1336 CA LYS A 91 48.636 -2.911 -3.202 1.00 15.71 C ATOM 1337 C LYS A 91 48.225 -1.465 -3.429 1.00 15.26 C ATOM 1338 O LYS A 91 47.816 -1.102 -4.530 1.00 15.41 O ATOM 1339 CB LYS A 91 49.773 -3.290 -4.170 1.00 15.96 C ATOM 1340 CG LYS A 91 50.455 -4.635 -3.895 1.00 16.55 C ATOM 1341 CD LYS A 91 51.049 -4.708 -2.482 1.00 18.52 C ATOM 1342 CE LYS A 91 52.018 -5.888 -2.347 1.00 19.39 C ATOM 1343 NZ LYS A 91 52.305 -6.233 -0.921 1.00 18.64 N ATOM 1344 HA LYS A 91 49.001 -3.018 -2.181 1.00 0.00 H ATOM 1345 HB2 LYS A 91 49.359 -3.323 -5.178 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.533 -2.511 -4.116 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.719 -5.431 -4.008 1.00 0.00 H ATOM 1348 HG3 LYS A 91 51.256 -4.777 -4.620 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.585 -3.782 -2.273 1.00 0.00 H ATOM 1350 HD3 LYS A 91 50.240 -4.828 -1.762 1.00 0.00 H ATOM 1351 HE2 LYS A 91 52.955 -5.629 -2.840 1.00 0.00 H ATOM 1352 HE3 LYS A 91 51.580 -6.758 -2.836 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.731 -5.412 -0.446 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 51.418 -6.490 -0.443 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 52.965 -7.036 -0.886 1.00 0.00 H ATOM 1356 H LYS A 91 46.890 -3.710 -4.197 1.00 0.00 H ATOM 1357 N TYR A 92 48.333 -0.651 -2.383 1.00 15.01 N ATOM 1358 CA TYR A 92 48.102 0.790 -2.474 1.00 14.72 C ATOM 1359 C TYR A 92 48.870 1.349 -3.672 1.00 14.56 C ATOM 1360 O TYR A 92 50.037 0.992 -3.865 1.00 14.74 O ATOM 1361 CB TYR A 92 48.558 1.478 -1.180 1.00 14.91 C ATOM 1362 CG TYR A 92 48.320 2.971 -1.161 1.00 14.54 C ATOM 1363 CD1 TYR A 92 47.110 3.491 -0.714 1.00 15.03 C ATOM 1364 CD2 TYR A 92 49.294 3.863 -1.613 1.00 14.85 C ATOM 1365 CE1 TYR A 92 46.875 4.862 -0.702 1.00 14.48 C ATOM 1366 CE2 TYR A 92 49.069 5.238 -1.603 1.00 14.56 C ATOM 1367 CZ TYR A 92 47.852 5.726 -1.141 1.00 15.36 C ATOM 1368 OH TYR A 92 47.611 7.082 -1.122 1.00 15.77 O ATOM 1369 HA TYR A 92 47.037 0.981 -2.609 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.626 1.299 -1.054 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.016 1.033 -0.346 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.246 3.478 -1.980 1.00 0.00 H ATOM 1373 HE2 TYR A 92 49.840 5.924 -1.954 1.00 0.00 H ATOM 1374 HE1 TYR A 92 45.921 5.250 -0.346 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.331 2.812 -0.367 1.00 0.00 H ATOM 1376 HH TYR A 92 46.703 7.250 -0.766 1.00 0.00 H ATOM 1377 H TYR A 92 48.593 -1.056 -1.461 1.00 0.00 H ATOM 1378 N PRO A 93 48.236 2.228 -4.482 1.00 14.51 N ATOM 1379 CA PRO A 93 46.913 2.870 -4.355 1.00 14.50 C ATOM 1380 C PRO A 93 45.720 2.071 -4.929 1.00 14.45 C ATOM 1381 O PRO A 93 44.576 2.545 -4.886 1.00 14.76 O ATOM 1382 CB PRO A 93 47.101 4.183 -5.125 1.00 14.25 C ATOM 1383 CG PRO A 93 48.161 3.879 -6.151 1.00 14.63 C ATOM 1384 CD PRO A 93 48.922 2.653 -5.716 1.00 14.35 C ATOM 1385 HA PRO A 93 46.642 2.975 -3.304 1.00 0.00 H ATOM 1386 HD3 PRO A 93 48.870 1.874 -6.477 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.966 2.895 -5.516 1.00 0.00 H ATOM 1388 HG3 PRO A 93 48.844 4.724 -6.234 1.00 0.00 H ATOM 1389 HG2 PRO A 93 47.693 3.696 -7.118 1.00 0.00 H ATOM 1390 HB2 PRO A 93 46.171 4.481 -5.610 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.431 4.977 -4.455 1.00 0.00 H ATOM 1392 N ASN A 94 45.985 0.876 -5.447 1.00 14.32 N ATOM 1393 CA ASN A 94 44.937 0.015 -5.992 1.00 14.38 C ATOM 1394 C ASN A 94 44.419 -0.919 -4.917 1.00 14.06 C ATOM 1395 O ASN A 94 44.753 -2.102 -4.899 1.00 14.01 O ATOM 1396 CB ASN A 94 45.468 -0.803 -7.171 1.00 14.34 C ATOM 1397 CG ASN A 94 46.090 0.061 -8.247 1.00 15.09 C ATOM 1398 OD1 ASN A 94 47.212 -0.189 -8.684 1.00 14.64 O ATOM 1399 ND2 ASN A 94 45.369 1.094 -8.669 1.00 15.98 N ATOM 1400 HA ASN A 94 44.123 0.649 -6.343 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.222 -1.498 -6.802 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.641 -1.363 -7.608 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.424 1.266 -8.270 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.749 1.730 -9.398 1.00 0.00 H ATOM 1405 H ASN A 94 46.970 0.543 -5.465 1.00 0.00 H ATOM 1406 N CYS A 95 43.613 -0.377 -4.013 1.00 13.92 N ATOM 1407 CA CYS A 95 43.144 -1.139 -2.869 1.00 14.33 C ATOM 1408 C CYS A 95 42.048 -2.121 -3.270 1.00 13.96 C ATOM 1409 O CYS A 95 41.027 -1.721 -3.838 1.00 14.19 O ATOM 1410 CB CYS A 95 42.649 -0.200 -1.767 1.00 14.58 C ATOM 1411 SG CYS A 95 43.903 0.978 -1.160 1.00 15.77 S ATOM 1412 HA CYS A 95 43.984 -1.717 -2.483 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.316 -0.807 -0.925 1.00 0.00 H ATOM 1414 HB3 CYS A 95 41.806 0.370 -2.158 1.00 0.00 H ATOM 1415 H CYS A 95 43.311 0.612 -4.126 1.00 0.00 H ATOM 1416 N ALA A 96 42.264 -3.398 -2.953 1.00 13.40 N ATOM 1417 CA ALA A 96 41.325 -4.464 -3.306 1.00 12.85 C ATOM 1418 C ALA A 96 40.712 -5.102 -2.069 1.00 12.20 C ATOM 1419 O ALA A 96 41.403 -5.331 -1.084 1.00 11.75 O ATOM 1420 CB ALA A 96 42.009 -5.519 -4.167 1.00 13.11 C ATOM 1421 HA ALA A 96 40.517 -4.013 -3.882 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.378 -5.056 -5.082 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.843 -5.952 -3.615 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.293 -6.302 -4.418 1.00 0.00 H ATOM 1425 H ALA A 96 43.132 -3.646 -2.436 1.00 0.00 H ATOM 1426 N TYR A 97 39.418 -5.403 -2.140 1.00 11.53 N ATOM 1427 CA TYR A 97 38.668 -5.874 -0.981 1.00 11.43 C ATOM 1428 C TYR A 97 37.718 -7.038 -1.262 1.00 11.86 C ATOM 1429 O TYR A 97 37.052 -7.068 -2.297 1.00 11.26 O ATOM 1430 CB TYR A 97 37.845 -4.719 -0.413 1.00 10.94 C ATOM 1431 CG TYR A 97 38.679 -3.627 0.182 1.00 10.89 C ATOM 1432 CD1 TYR A 97 39.072 -2.529 -0.581 1.00 10.46 C ATOM 1433 CD2 TYR A 97 39.082 -3.692 1.521 1.00 10.94 C ATOM 1434 CE1 TYR A 97 39.843 -1.515 -0.028 1.00 9.81 C ATOM 1435 CE2 TYR A 97 39.867 -2.691 2.079 1.00 10.93 C ATOM 1436 CZ TYR A 97 40.244 -1.608 1.301 1.00 10.36 C ATOM 1437 OH TYR A 97 41.001 -0.607 1.866 1.00 11.08 O ATOM 1438 HA TYR A 97 39.416 -6.242 -0.279 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.187 -5.112 0.362 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.244 -4.295 -1.217 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.776 -4.540 2.134 1.00 0.00 H ATOM 1442 HE2 TYR A 97 40.184 -2.757 3.120 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.132 -0.653 -0.630 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.770 -2.465 -1.626 1.00 0.00 H ATOM 1445 HH TYR A 97 40.504 -0.207 2.623 1.00 0.00 H ATOM 1446 H TYR A 97 38.926 -5.299 -3.050 1.00 0.00 H ATOM 1447 N LYS A 98 37.656 -7.975 -0.316 1.00 12.66 N ATOM 1448 CA LYS A 98 36.614 -9.003 -0.285 1.00 13.89 C ATOM 1449 C LYS A 98 35.374 -8.414 0.404 1.00 13.92 C ATOM 1450 O LYS A 98 35.479 -7.792 1.468 1.00 13.93 O ATOM 1451 CB LYS A 98 37.119 -10.275 0.424 1.00 13.77 C ATOM 1452 CG LYS A 98 36.028 -11.214 0.959 1.00 14.74 C ATOM 1453 CD LYS A 98 36.589 -12.531 1.533 1.00 15.45 C ATOM 1454 CE LYS A 98 37.446 -12.344 2.806 1.00 17.37 C ATOM 1455 NZ LYS A 98 36.737 -11.676 3.963 1.00 19.24 N ATOM 1456 HA LYS A 98 36.349 -9.301 -1.299 1.00 0.00 H ATOM 1457 HB2 LYS A 98 37.726 -10.836 -0.286 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.739 -9.966 1.266 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.481 -10.697 1.748 1.00 0.00 H ATOM 1460 HG3 LYS A 98 35.346 -11.454 0.143 1.00 0.00 H ATOM 1461 HD2 LYS A 98 35.751 -13.184 1.776 1.00 0.00 H ATOM 1462 HD3 LYS A 98 37.207 -13.003 0.769 1.00 0.00 H ATOM 1463 HE2 LYS A 98 38.312 -11.737 2.544 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.780 -13.328 3.136 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 36.422 -10.728 3.674 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.913 -12.247 4.240 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 37.390 -11.595 4.768 1.00 0.00 H ATOM 1468 H LYS A 98 38.379 -7.976 0.432 1.00 0.00 H ATOM 1469 N THR A 99 34.219 -8.593 -0.240 1.00 14.10 N ATOM 1470 CA THR A 99 32.936 -8.099 0.229 1.00 14.60 C ATOM 1471 C THR A 99 32.137 -9.234 0.871 1.00 15.06 C ATOM 1472 O THR A 99 31.784 -10.200 0.202 1.00 14.61 O ATOM 1473 CB THR A 99 32.114 -7.505 -0.938 1.00 14.74 C ATOM 1474 OG1 THR A 99 32.821 -6.395 -1.506 1.00 14.04 O ATOM 1475 CG2 THR A 99 30.728 -7.045 -0.463 1.00 14.86 C ATOM 1476 HA THR A 99 33.127 -7.318 0.965 1.00 0.00 H ATOM 1477 HB THR A 99 31.976 -8.282 -1.690 1.00 0.00 H ATOM 1478 HG1 THR A 99 32.957 -5.702 -0.812 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.194 -7.892 -0.032 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.844 -6.265 0.290 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.166 -6.653 -1.311 1.00 0.00 H ATOM 1482 H THR A 99 34.239 -9.121 -1.136 1.00 0.00 H ATOM 1483 N THR A 100 31.855 -9.118 2.165 1.00 15.19 N ATOM 1484 CA THR A 100 31.061 -10.139 2.845 1.00 16.18 C ATOM 1485 C THR A 100 29.833 -9.538 3.522 1.00 16.01 C ATOM 1486 O THR A 100 29.956 -8.790 4.482 1.00 15.71 O ATOM 1487 CB THR A 100 31.889 -10.938 3.887 1.00 16.49 C ATOM 1488 OG1 THR A 100 33.138 -11.345 3.312 1.00 16.65 O ATOM 1489 CG2 THR A 100 31.112 -12.187 4.341 1.00 16.97 C ATOM 1490 HA THR A 100 30.736 -10.830 2.068 1.00 0.00 H ATOM 1491 HB THR A 100 32.074 -10.295 4.748 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.649 -10.544 3.034 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.161 -11.883 4.779 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.928 -12.831 3.481 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.699 -12.728 5.083 1.00 0.00 H ATOM 1496 H THR A 100 32.202 -8.295 2.697 1.00 0.00 H ATOM 1497 N GLN A 101 28.657 -9.884 3.006 1.00 16.22 N ATOM 1498 CA GLN A 101 27.387 -9.498 3.607 1.00 16.66 C ATOM 1499 C GLN A 101 26.996 -10.496 4.700 1.00 16.19 C ATOM 1500 O GLN A 101 27.209 -11.701 4.554 1.00 16.06 O ATOM 1501 CB GLN A 101 26.286 -9.471 2.545 1.00 17.01 C ATOM 1502 CG GLN A 101 26.370 -8.330 1.532 1.00 17.77 C ATOM 1503 CD GLN A 101 25.239 -8.404 0.505 1.00 18.45 C ATOM 1504 OE1 GLN A 101 24.061 -8.353 0.867 1.00 21.47 O ATOM 1505 NE2 GLN A 101 25.590 -8.539 -0.768 1.00 17.81 N ATOM 1506 HA GLN A 101 27.501 -8.505 4.041 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.328 -10.411 1.995 1.00 0.00 H ATOM 1508 HB3 GLN A 101 25.327 -9.394 3.058 1.00 0.00 H ATOM 1509 HG2 GLN A 101 26.305 -7.380 2.063 1.00 0.00 H ATOM 1510 HG3 GLN A 101 27.326 -8.389 1.011 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.596 -8.578 -1.029 1.00 0.00 H ATOM 1512 HE21 GLN A 101 24.859 -8.606 -1.505 1.00 0.00 H ATOM 1513 H GLN A 101 28.643 -10.454 2.136 1.00 0.00 H ATOM 1514 N ALA A 102 26.412 -9.992 5.781 1.00 15.63 N ATOM 1515 CA ALA A 102 25.961 -10.838 6.897 1.00 15.29 C ATOM 1516 C ALA A 102 24.840 -10.150 7.657 1.00 14.70 C ATOM 1517 O ALA A 102 24.626 -8.943 7.508 1.00 14.07 O ATOM 1518 CB ALA A 102 27.129 -11.145 7.852 1.00 15.44 C ATOM 1519 HA ALA A 102 25.590 -11.777 6.487 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.914 -11.668 7.307 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.524 -10.211 8.253 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.773 -11.772 8.670 1.00 0.00 H ATOM 1523 H ALA A 102 26.268 -8.964 5.841 1.00 0.00 H ATOM 1524 N ASN A 103 24.127 -10.917 8.475 1.00 14.64 N ATOM 1525 CA ASN A 103 23.179 -10.329 9.423 1.00 14.56 C ATOM 1526 C ASN A 103 23.591 -10.590 10.857 1.00 14.36 C ATOM 1527 O ASN A 103 23.473 -11.706 11.361 1.00 14.33 O ATOM 1528 CB ASN A 103 21.750 -10.798 9.165 1.00 14.92 C ATOM 1529 CG ASN A 103 21.195 -10.241 7.884 1.00 16.34 C ATOM 1530 OD1 ASN A 103 20.567 -9.181 7.873 1.00 18.13 O ATOM 1531 ND2 ASN A 103 21.446 -10.936 6.784 1.00 18.01 N ATOM 1532 HA ASN A 103 23.200 -9.251 9.264 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.742 -11.886 9.108 1.00 0.00 H ATOM 1534 HB3 ASN A 103 21.119 -10.474 9.992 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.981 -11.826 6.842 1.00 0.00 H ATOM 1536 HD21 ASN A 103 21.108 -10.591 5.863 1.00 0.00 H ATOM 1537 H ASN A 103 24.244 -11.950 8.441 1.00 0.00 H ATOM 1538 N LYS A 104 24.067 -9.540 11.507 1.00 13.94 N ATOM 1539 CA LYS A 104 24.719 -9.668 12.793 1.00 14.15 C ATOM 1540 C LYS A 104 24.368 -8.507 13.702 1.00 13.39 C ATOM 1541 O LYS A 104 23.920 -7.446 13.247 1.00 12.92 O ATOM 1542 CB LYS A 104 26.243 -9.747 12.597 1.00 14.19 C ATOM 1543 CG LYS A 104 26.686 -10.924 11.721 1.00 14.59 C ATOM 1544 CD LYS A 104 28.179 -11.033 11.602 1.00 15.63 C ATOM 1545 CE LYS A 104 28.793 -11.687 12.820 1.00 19.52 C ATOM 1546 NZ LYS A 104 30.277 -11.448 12.882 1.00 21.57 N ATOM 1547 HA LYS A 104 24.367 -10.584 13.268 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.579 -8.822 12.129 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.712 -9.849 13.576 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.303 -11.846 12.157 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.266 -10.794 10.724 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.421 -11.629 10.722 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.598 -10.033 11.489 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.608 -12.760 12.778 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.329 -11.274 13.716 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.727 -11.844 12.032 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.461 -10.425 12.928 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.666 -11.910 13.729 1.00 0.00 H ATOM 1559 H LYS A 104 23.970 -8.596 11.082 1.00 0.00 H ATOM 1560 N HIS A 105 24.555 -8.721 15.000 1.00 13.06 N ATOM 1561 CA HIS A 105 24.430 -7.644 15.966 1.00 12.46 C ATOM 1562 C HIS A 105 25.663 -6.784 15.844 1.00 11.95 C ATOM 1563 O HIS A 105 26.773 -7.312 15.724 1.00 12.70 O ATOM 1564 CB HIS A 105 24.317 -8.196 17.392 1.00 12.54 C ATOM 1565 CG HIS A 105 23.189 -9.165 17.577 1.00 12.20 C ATOM 1566 ND1 HIS A 105 21.950 -8.780 18.029 1.00 12.35 N ATOM 1567 CD2 HIS A 105 23.119 -10.504 17.379 1.00 12.81 C ATOM 1568 CE1 HIS A 105 21.158 -9.836 18.099 1.00 13.43 C ATOM 1569 NE2 HIS A 105 21.843 -10.895 17.708 1.00 13.27 N ATOM 1570 HA HIS A 105 23.528 -7.066 15.766 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.250 -8.702 17.640 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.167 -7.359 18.074 1.00 0.00 H ATOM 1573 HD2 HIS A 105 23.923 -11.149 17.025 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.118 -9.833 18.424 1.00 0.00 H ATOM 1575 H HIS A 105 24.795 -9.677 15.330 1.00 0.00 H ATOM 1576 N ILE A 106 25.485 -5.468 15.842 1.00 11.24 N ATOM 1577 CA ILE A 106 26.645 -4.570 15.777 1.00 10.12 C ATOM 1578 C ILE A 106 27.034 -4.081 17.180 1.00 9.81 C ATOM 1579 O ILE A 106 26.187 -4.010 18.061 1.00 8.68 O ATOM 1580 CB ILE A 106 26.431 -3.383 14.796 1.00 11.01 C ATOM 1581 CG1 ILE A 106 25.283 -2.473 15.264 1.00 10.38 C ATOM 1582 CG2 ILE A 106 26.168 -3.906 13.366 1.00 10.05 C ATOM 1583 CD1 ILE A 106 25.351 -1.051 14.677 1.00 9.98 C ATOM 1584 HA ILE A 106 27.476 -5.149 15.374 1.00 0.00 H ATOM 1585 HB ILE A 106 27.343 -2.786 14.784 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.338 -2.926 14.964 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.320 -2.400 16.351 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.287 -0.579 14.978 1.00 0.00 H ATOM 1589 HD12 ILE A 106 25.303 -1.106 13.589 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.511 -0.465 15.050 1.00 0.00 H ATOM 1591 HG21 ILE A 106 27.024 -4.493 13.032 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.275 -4.531 13.368 1.00 0.00 H ATOM 1593 HG23 ILE A 106 26.021 -3.061 12.693 1.00 0.00 H ATOM 1594 H ILE A 106 24.524 -5.073 15.886 1.00 0.00 H ATOM 1595 N ILE A 107 28.324 -3.784 17.373 1.00 8.89 N ATOM 1596 CA ILE A 107 28.805 -3.162 18.604 1.00 9.15 C ATOM 1597 C ILE A 107 29.479 -1.855 18.218 1.00 9.65 C ATOM 1598 O ILE A 107 30.422 -1.852 17.420 1.00 10.25 O ATOM 1599 CB ILE A 107 29.762 -4.075 19.417 1.00 8.83 C ATOM 1600 CG1 ILE A 107 29.028 -5.337 19.906 1.00 7.24 C ATOM 1601 CG2 ILE A 107 30.349 -3.309 20.607 1.00 8.60 C ATOM 1602 CD1 ILE A 107 29.951 -6.477 20.306 1.00 7.74 C ATOM 1603 HA ILE A 107 27.959 -2.983 19.268 1.00 0.00 H ATOM 1604 HB ILE A 107 30.577 -4.383 18.762 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.422 -5.067 20.771 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.378 -5.688 19.104 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.557 -6.770 19.449 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.601 -6.149 21.117 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.354 -7.327 20.638 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.906 -2.445 20.243 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.540 -2.974 21.256 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.017 -3.964 21.165 1.00 0.00 H ATOM 1613 H ILE A 107 29.008 -4.003 16.621 1.00 0.00 H ATOM 1614 N VAL A 108 28.962 -0.752 18.755 1.00 10.41 N ATOM 1615 CA VAL A 108 29.494 0.592 18.485 1.00 9.53 C ATOM 1616 C VAL A 108 29.862 1.303 19.797 1.00 9.93 C ATOM 1617 O VAL A 108 29.278 1.013 20.844 1.00 9.89 O ATOM 1618 CB VAL A 108 28.491 1.454 17.682 1.00 10.48 C ATOM 1619 CG1 VAL A 108 28.244 0.840 16.278 1.00 8.01 C ATOM 1620 CG2 VAL A 108 27.137 1.607 18.453 1.00 9.14 C ATOM 1621 HA VAL A 108 30.393 0.469 17.881 1.00 0.00 H ATOM 1622 HB VAL A 108 28.927 2.445 17.558 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.186 0.794 15.732 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.837 -0.165 16.389 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.536 1.462 15.730 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.700 0.622 18.615 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.320 2.088 19.414 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.452 2.218 17.864 1.00 0.00 H ATOM 1629 H VAL A 108 28.146 -0.845 19.393 1.00 0.00 H ATOM 1630 N ALA A 109 30.843 2.202 19.744 1.00 9.20 N ATOM 1631 CA ALA A 109 31.150 3.071 20.882 1.00 9.64 C ATOM 1632 C ALA A 109 30.394 4.375 20.679 1.00 10.64 C ATOM 1633 O ALA A 109 30.356 4.905 19.564 1.00 9.83 O ATOM 1634 CB ALA A 109 32.620 3.350 20.957 1.00 10.07 C ATOM 1635 HA ALA A 109 30.854 2.585 21.811 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.161 2.411 21.075 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.942 3.844 20.040 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.823 3.997 21.810 1.00 0.00 H ATOM 1639 H ALA A 109 31.405 2.289 18.873 1.00 0.00 H ATOM 1640 N CYS A 110 29.814 4.901 21.760 1.00 10.70 N ATOM 1641 CA CYS A 110 29.103 6.163 21.687 1.00 10.92 C ATOM 1642 C CYS A 110 29.710 7.221 22.601 1.00 10.63 C ATOM 1643 O CYS A 110 30.253 6.906 23.668 1.00 10.49 O ATOM 1644 CB CYS A 110 27.627 5.959 22.020 1.00 11.09 C ATOM 1645 SG CYS A 110 26.877 4.634 21.048 1.00 12.72 S ATOM 1646 HA CYS A 110 29.195 6.528 20.664 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.091 6.887 21.819 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.538 5.711 23.078 1.00 0.00 H ATOM 1649 H CYS A 110 29.873 4.398 22.668 1.00 0.00 H ATOM 1650 N GLU A 111 29.599 8.472 22.169 1.00 10.41 N ATOM 1651 CA GLU A 111 30.145 9.623 22.890 1.00 11.15 C ATOM 1652 C GLU A 111 29.331 10.855 22.544 1.00 10.67 C ATOM 1653 O GLU A 111 28.645 10.901 21.507 1.00 10.31 O ATOM 1654 CB GLU A 111 31.600 9.913 22.488 1.00 10.76 C ATOM 1655 CG GLU A 111 32.626 8.888 22.958 1.00 13.04 C ATOM 1656 CD GLU A 111 34.050 9.306 22.650 1.00 14.61 C ATOM 1657 OE1 GLU A 111 34.959 8.809 23.340 1.00 20.32 O ATOM 1658 OE2 GLU A 111 34.259 10.121 21.726 1.00 19.66 O ATOM 1659 HA GLU A 111 30.105 9.390 23.954 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.645 9.960 21.400 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.877 10.882 22.904 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.524 8.761 24.036 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.425 7.939 22.461 1.00 0.00 H ATOM 1664 H GLU A 111 29.099 8.642 21.273 1.00 0.00 H ATOM 1665 N GLY A 112 29.432 11.852 23.415 1.00 10.71 N ATOM 1666 CA GLY A 112 28.937 13.179 23.129 1.00 11.41 C ATOM 1667 C GLY A 112 27.574 13.483 23.690 1.00 12.01 C ATOM 1668 O GLY A 112 26.935 12.650 24.346 1.00 11.40 O ATOM 1669 HA3 GLY A 112 28.892 13.297 22.046 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.642 13.900 23.543 1.00 0.00 H ATOM 1671 H GLY A 112 29.883 11.672 24.335 1.00 0.00 H ATOM 1672 N ASN A 113 27.147 14.711 23.421 1.00 12.72 N ATOM 1673 CA ASN A 113 25.791 15.143 23.659 1.00 13.52 C ATOM 1674 C ASN A 113 25.322 15.904 22.408 1.00 13.89 C ATOM 1675 O ASN A 113 25.735 17.047 22.199 1.00 13.39 O ATOM 1676 CB ASN A 113 25.752 16.030 24.894 1.00 13.92 C ATOM 1677 CG ASN A 113 24.401 16.658 25.108 1.00 16.12 C ATOM 1678 OD1 ASN A 113 23.367 16.035 24.857 1.00 18.90 O ATOM 1679 ND2 ASN A 113 24.397 17.904 25.560 1.00 18.37 N ATOM 1680 HA ASN A 113 25.129 14.296 23.840 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.000 15.426 25.767 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.492 16.822 24.780 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.296 18.388 25.757 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.495 18.397 25.717 1.00 0.00 H ATOM 1685 H ASN A 113 27.821 15.394 23.020 1.00 0.00 H ATOM 1686 N PRO A 114 24.462 15.280 21.571 1.00 14.02 N ATOM 1687 CA PRO A 114 23.754 14.010 21.762 1.00 13.84 C ATOM 1688 C PRO A 114 24.682 12.793 21.732 1.00 13.28 C ATOM 1689 O PRO A 114 25.738 12.818 21.094 1.00 13.10 O ATOM 1690 CB PRO A 114 22.780 13.971 20.572 1.00 14.61 C ATOM 1691 CG PRO A 114 23.470 14.761 19.505 1.00 14.61 C ATOM 1692 CD PRO A 114 24.171 15.874 20.247 1.00 14.94 C ATOM 1693 HA PRO A 114 23.272 13.962 22.738 1.00 0.00 H ATOM 1694 HD3 PRO A 114 25.091 16.162 19.739 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.523 16.745 20.345 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.747 15.166 18.797 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.190 14.141 18.972 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.610 12.945 20.245 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.827 14.429 20.837 1.00 0.00 H ATOM 1700 N TYR A 115 24.276 11.748 22.436 1.00 12.83 N ATOM 1701 CA TYR A 115 25.062 10.521 22.580 1.00 12.13 C ATOM 1702 C TYR A 115 24.907 9.659 21.338 1.00 12.00 C ATOM 1703 O TYR A 115 23.882 9.014 21.148 1.00 12.25 O ATOM 1704 CB TYR A 115 24.569 9.755 23.799 1.00 11.77 C ATOM 1705 CG TYR A 115 25.552 8.780 24.408 1.00 10.81 C ATOM 1706 CD1 TYR A 115 26.831 9.189 24.808 1.00 9.78 C ATOM 1707 CD2 TYR A 115 25.178 7.461 24.655 1.00 11.23 C ATOM 1708 CE1 TYR A 115 27.720 8.287 25.401 1.00 9.98 C ATOM 1709 CE2 TYR A 115 26.064 6.553 25.268 1.00 9.10 C ATOM 1710 CZ TYR A 115 27.326 6.971 25.617 1.00 10.99 C ATOM 1711 OH TYR A 115 28.180 6.071 26.230 1.00 11.07 O ATOM 1712 HA TYR A 115 26.115 10.775 22.705 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.681 9.195 23.505 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.301 10.483 24.565 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.181 7.125 24.369 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.751 5.527 25.464 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.718 8.614 25.693 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.137 10.224 24.655 1.00 0.00 H ATOM 1719 HH TYR A 115 27.775 5.759 27.078 1.00 0.00 H ATOM 1720 H TYR A 115 23.352 11.801 22.911 1.00 0.00 H ATOM 1721 N VAL A 116 25.937 9.638 20.502 1.00 11.99 N ATOM 1722 CA VAL A 116 25.829 9.042 19.155 1.00 11.80 C ATOM 1723 C VAL A 116 27.017 8.147 18.857 1.00 11.37 C ATOM 1724 O VAL A 116 28.040 8.265 19.512 1.00 11.75 O ATOM 1725 CB VAL A 116 25.711 10.138 18.052 1.00 12.17 C ATOM 1726 CG1 VAL A 116 24.388 10.916 18.208 1.00 11.15 C ATOM 1727 CG2 VAL A 116 26.912 11.070 18.081 1.00 11.53 C ATOM 1728 HA VAL A 116 24.920 8.441 19.145 1.00 0.00 H ATOM 1729 HB VAL A 116 25.702 9.650 17.077 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.549 10.226 18.116 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.362 11.393 19.188 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.322 11.677 17.430 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.969 11.557 19.055 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.821 10.494 17.908 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.804 11.824 17.302 1.00 0.00 H ATOM 1736 H VAL A 116 26.843 10.051 20.803 1.00 0.00 H ATOM 1737 N PRO A 117 26.877 7.235 17.869 1.00 11.69 N ATOM 1738 CA PRO A 117 27.993 6.365 17.519 1.00 10.91 C ATOM 1739 C PRO A 117 29.203 7.125 16.966 1.00 11.33 C ATOM 1740 O PRO A 117 29.057 7.968 16.084 1.00 11.92 O ATOM 1741 CB PRO A 117 27.394 5.418 16.464 1.00 11.32 C ATOM 1742 CG PRO A 117 25.894 5.534 16.632 1.00 11.28 C ATOM 1743 CD PRO A 117 25.671 6.948 17.054 1.00 10.98 C ATOM 1744 HA PRO A 117 28.389 5.847 18.393 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.611 7.612 16.192 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.762 7.043 17.648 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.537 4.843 17.396 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.384 5.328 15.691 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.691 5.725 15.461 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.721 4.393 16.641 1.00 0.00 H ATOM 1751 N VAL A 118 30.392 6.821 17.488 1.00 10.26 N ATOM 1752 CA VAL A 118 31.616 7.454 16.995 1.00 10.26 C ATOM 1753 C VAL A 118 32.665 6.430 16.546 1.00 10.09 C ATOM 1754 O VAL A 118 33.634 6.793 15.895 1.00 10.47 O ATOM 1755 CB VAL A 118 32.247 8.452 18.022 1.00 9.53 C ATOM 1756 CG1 VAL A 118 31.284 9.610 18.348 1.00 10.90 C ATOM 1757 CG2 VAL A 118 32.703 7.735 19.287 1.00 11.02 C ATOM 1758 HA VAL A 118 31.304 8.030 16.124 1.00 0.00 H ATOM 1759 HB VAL A 118 33.131 8.885 17.554 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.051 10.156 17.434 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.366 9.208 18.776 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.756 10.283 19.064 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.847 7.250 19.757 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.451 6.985 19.029 1.00 0.00 H ATOM 1765 HG23 VAL A 118 33.136 8.459 19.977 1.00 0.00 H ATOM 1766 H VAL A 118 30.450 6.123 18.257 1.00 0.00 H ATOM 1767 N HIS A 119 32.463 5.154 16.880 1.00 10.40 N ATOM 1768 CA HIS A 119 33.388 4.097 16.475 1.00 10.71 C ATOM 1769 C HIS A 119 32.615 2.802 16.246 1.00 10.81 C ATOM 1770 O HIS A 119 31.659 2.518 16.966 1.00 11.39 O ATOM 1771 CB HIS A 119 34.479 4.002 17.565 1.00 11.18 C ATOM 1772 CG HIS A 119 35.168 2.675 17.693 1.00 10.72 C ATOM 1773 ND1 HIS A 119 36.272 2.331 16.940 1.00 12.54 N ATOM 1774 CD2 HIS A 119 34.979 1.656 18.567 1.00 8.86 C ATOM 1775 CE1 HIS A 119 36.694 1.132 17.301 1.00 11.11 C ATOM 1776 NE2 HIS A 119 35.925 0.702 18.288 1.00 11.08 N ATOM 1777 HA HIS A 119 33.882 4.310 15.527 1.00 0.00 H ATOM 1778 HB2 HIS A 119 35.238 4.752 17.344 1.00 0.00 H ATOM 1779 HB3 HIS A 119 34.013 4.230 18.524 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.218 1.604 19.346 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.532 0.590 16.861 1.00 0.00 H ATOM 1782 H HIS A 119 31.625 4.905 17.443 1.00 0.00 H ATOM 1783 N PHE A 120 33.023 2.026 15.242 1.00 10.05 N ATOM 1784 CA PHE A 120 32.489 0.683 15.030 1.00 9.40 C ATOM 1785 C PHE A 120 33.414 -0.340 15.687 1.00 9.44 C ATOM 1786 O PHE A 120 34.572 -0.483 15.278 1.00 9.14 O ATOM 1787 CB PHE A 120 32.334 0.361 13.532 1.00 9.84 C ATOM 1788 CG PHE A 120 31.511 -0.886 13.275 1.00 9.23 C ATOM 1789 CD1 PHE A 120 30.145 -0.789 13.058 1.00 9.46 C ATOM 1790 CD2 PHE A 120 32.099 -2.150 13.307 1.00 9.61 C ATOM 1791 CE1 PHE A 120 29.366 -1.928 12.844 1.00 9.45 C ATOM 1792 CE2 PHE A 120 31.337 -3.299 13.100 1.00 8.50 C ATOM 1793 CZ PHE A 120 29.960 -3.189 12.873 1.00 8.98 C ATOM 1794 HA PHE A 120 31.498 0.637 15.482 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.847 1.205 13.044 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.326 0.217 13.103 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.169 -2.241 13.496 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.812 -4.280 13.115 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.356 -4.083 12.720 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.297 -1.832 12.655 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.671 0.193 13.054 1.00 0.00 H ATOM 1802 H PHE A 120 33.746 2.389 14.588 1.00 0.00 H ATOM 1803 N ASP A 121 32.923 -1.064 16.697 1.00 8.63 N ATOM 1804 CA ASP A 121 33.834 -1.914 17.474 1.00 8.77 C ATOM 1805 C ASP A 121 33.936 -3.332 16.923 1.00 8.90 C ATOM 1806 O ASP A 121 35.051 -3.864 16.794 1.00 9.57 O ATOM 1807 CB ASP A 121 33.462 -1.945 18.965 1.00 8.83 C ATOM 1808 CG ASP A 121 34.667 -2.210 19.863 1.00 9.00 C ATOM 1809 OD1 ASP A 121 35.692 -1.521 19.689 1.00 9.11 O ATOM 1810 OD2 ASP A 121 34.588 -3.088 20.764 1.00 7.25 O ATOM 1811 HA ASP A 121 34.818 -1.455 17.376 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.028 -0.983 19.237 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.726 -2.733 19.126 1.00 0.00 H ATOM 1814 H ASP A 121 31.910 -1.026 16.929 1.00 0.00 H ATOM 1815 N ALA A 122 32.789 -3.923 16.582 1.00 8.75 N ATOM 1816 CA ALA A 122 32.725 -5.342 16.201 1.00 9.84 C ATOM 1817 C ALA A 122 31.316 -5.743 15.747 1.00 10.14 C ATOM 1818 O ALA A 122 30.352 -5.013 15.961 1.00 10.29 O ATOM 1819 CB ALA A 122 33.172 -6.228 17.400 1.00 9.78 C ATOM 1820 HA ALA A 122 33.400 -5.496 15.359 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.195 -5.973 17.677 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.510 -6.051 18.248 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.123 -7.278 17.112 1.00 0.00 H ATOM 1824 H ALA A 122 31.913 -3.362 16.586 1.00 0.00 H ATOM 1825 N SER A 123 31.203 -6.908 15.111 1.00 10.89 N ATOM 1826 CA SER A 123 29.906 -7.530 14.883 1.00 10.91 C ATOM 1827 C SER A 123 29.957 -8.915 15.505 1.00 11.13 C ATOM 1828 O SER A 123 31.018 -9.553 15.507 1.00 11.29 O ATOM 1829 CB SER A 123 29.560 -7.599 13.393 1.00 10.68 C ATOM 1830 OG SER A 123 30.403 -8.515 12.723 1.00 12.10 O ATOM 1831 HA SER A 123 29.118 -6.932 15.342 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.684 -6.610 12.951 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.524 -7.919 13.281 1.00 0.00 H ATOM 1834 HG SER A 123 31.345 -8.226 12.819 1.00 0.00 H ATOM 1835 H SER A 123 32.062 -7.385 14.769 1.00 0.00 H ATOM 1836 N VAL A 124 28.827 -9.369 16.042 1.00 11.20 N ATOM 1837 CA VAL A 124 28.764 -10.669 16.710 1.00 12.02 C ATOM 1838 C VAL A 124 27.538 -11.477 16.303 1.00 12.01 C ATOM 1839 O VAL A 124 26.538 -10.950 15.828 1.00 12.07 O ATOM 1840 CB VAL A 124 28.852 -10.571 18.276 1.00 12.15 C ATOM 1841 CG1 VAL A 124 30.253 -10.161 18.729 1.00 12.58 C ATOM 1842 CG2 VAL A 124 27.804 -9.636 18.842 1.00 13.19 C ATOM 1843 HA VAL A 124 29.653 -11.199 16.367 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.534 -12.689 16.453 1.00 11.83 O ATOM 1845 HB VAL A 124 28.648 -11.566 18.671 1.00 0.00 H ATOM 1846 HG11 VAL A 124 30.976 -10.902 18.386 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.500 -9.187 18.306 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.279 -10.103 19.817 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.948 -8.638 18.428 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.812 -10.001 18.577 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.901 -9.598 19.927 1.00 0.00 H ATOM 1852 H VAL A 124 27.968 -8.785 15.985 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 37.093 3.770 14.303 1.00 44.20 O HETATM 1855 O HOH 2 32.164 -6.962 25.189 1.00 10.47 O HETATM 1856 O HOH 3 27.462 8.936 14.112 1.00 17.12 O HETATM 1857 O HOH 4 25.230 10.430 13.906 1.00 21.79 O HETATM 1858 O HOH 5 33.096 -4.998 21.954 1.00 11.66 O HETATM 1859 O HOH 6 34.211 8.755 14.259 1.00 18.62 O HETATM 1860 O HOH 7 37.353 -0.614 21.374 1.00 12.33 O HETATM 1861 O HOH 8 16.867 0.201 9.539 1.00 21.18 O HETATM 1862 O HOH 9 35.080 -5.581 -3.252 1.00 23.66 O HETATM 1863 O HOH 10 33.883 -7.905 14.203 1.00 20.51 O HETATM 1864 O HOH 11 31.855 -6.806 11.399 1.00 36.47 O HETATM 1865 O HOH 12 17.863 -0.036 16.847 1.00 20.66 O HETATM 1866 O HOH 13 29.766 6.458 -1.290 1.00 29.58 O HETATM 1867 O HOH 14 27.310 14.353 19.615 1.00 17.18 O HETATM 1868 O HOH 15 47.868 0.346 2.177 1.00 23.56 O HETATM 1869 O HOH 16 17.199 7.945 9.942 1.00 23.75 O HETATM 1870 O HOH 17 18.639 -0.849 26.890 1.00 28.94 O HETATM 1871 O HOH 18 20.452 6.315 21.180 1.00 25.37 O HETATM 1872 O HOH 19 28.782 -3.310 -9.314 1.00 33.60 O HETATM 1873 O HOH 20 34.175 5.848 12.602 1.00 19.11 O HETATM 1874 O HOH 21 36.411 2.113 21.144 1.00 20.91 O HETATM 1875 O HOH 22 17.605 6.925 17.067 1.00 23.60 O HETATM 1876 O HOH 23 43.851 4.965 -3.321 1.00 31.69 O HETATM 1877 O HOH 24 30.727 14.066 17.100 1.00 20.73 O HETATM 1878 O HOH 25 43.834 -11.482 -3.960 1.00 49.28 O HETATM 1879 O HOH 26 40.705 -1.119 9.597 1.00 26.65 O HETATM 1880 O HOH 27 35.822 3.721 23.249 1.00 18.39 O HETATM 1881 O HOH 28 50.051 -7.394 0.000 1.00 40.64 O HETATM 1882 O HOH 29 40.409 1.098 28.408 1.00 27.06 O HETATM 1883 O HOH 30 34.895 5.959 22.354 1.00 22.09 O HETATM 1884 O HOH 31 31.987 13.748 6.759 1.00 24.41 O HETATM 1885 O HOH 32 22.629 1.893 -2.290 1.00 54.96 O HETATM 1886 O HOH 33 29.597 12.053 7.083 1.00 23.95 O HETATM 1887 O HOH 34 18.590 -3.426 17.583 1.00 31.65 O HETATM 1888 O HOH 35 25.325 12.746 26.401 1.00 25.15 O HETATM 1889 O HOH 36 31.827 5.079 -6.150 1.00 53.19 O HETATM 1890 O HOH 37 30.224 4.237 29.570 1.00 29.38 O HETATM 1891 O HOH 38 34.214 15.315 17.024 1.00 29.75 O HETATM 1892 O HOH 39 39.114 0.435 -3.132 1.00 29.89 O HETATM 1893 O HOH 40 26.983 -2.887 -4.675 1.00 43.60 O HETATM 1894 O HOH 41 39.653 6.897 -1.370 1.00 29.05 O HETATM 1895 O HOH 42 46.723 -1.862 4.279 1.00 31.83 O HETATM 1896 O HOH 43 21.829 12.032 23.871 1.00 24.96 O HETATM 1897 O HOH 44 25.007 -13.727 8.707 1.00 37.21 O HETATM 1898 O HOH 45 16.924 -8.207 12.509 1.00 32.15 O HETATM 1899 O HOH 46 34.415 4.490 -5.984 1.00 36.68 O HETATM 1900 O HOH 47 27.023 -9.130 28.103 1.00 45.77 O HETATM 1901 O HOH 48 16.766 -9.348 14.957 1.00 44.50 O HETATM 1902 O HOH 49 17.863 -6.127 9.193 1.00 39.08 O HETATM 1903 O HOH 50 23.350 -10.798 4.796 1.00 35.35 O HETATM 1904 O HOH 51 24.083 -8.024 4.421 1.00 34.65 O HETATM 1905 O HOH 52 35.229 3.139 13.635 1.00 19.75 O HETATM 1906 O HOH 53 30.399 17.477 10.683 1.00 28.32 O HETATM 1907 O HOH 54 37.273 12.520 3.862 1.00 34.04 O HETATM 1908 O HOH 55 29.666 -14.083 17.347 1.00 34.62 O HETATM 1909 O HOH 56 26.487 14.642 16.922 1.00 27.72 O HETATM 1910 O HOH 57 24.137 6.055 4.382 1.00 19.25 O HETATM 1911 O HOH 58 24.370 8.043 7.453 1.00 28.98 O HETATM 1912 O HOH 59 26.895 5.516 -0.206 1.00 30.04 O HETATM 1913 O HOH 60 41.585 -4.282 26.023 1.00 20.93 O HETATM 1914 O HOH 61 33.779 -9.281 19.072 1.00 25.25 O HETATM 1915 O HOH 62 33.476 -7.662 21.290 1.00 19.47 O HETATM 1916 O HOH 63 30.284 -2.753 30.522 1.00 41.98 O HETATM 1917 O HOH 64 46.224 -3.965 -5.820 1.00 40.97 O HETATM 1918 O HOH 65 48.593 -1.642 0.172 1.00 40.14 O HETATM 1919 O HOH 66 32.183 -12.024 14.534 1.00 45.63 O HETATM 1920 O HOH 67 29.161 -11.952 21.907 1.00 25.89 O HETATM 1921 O HOH 68 28.944 -9.565 22.749 1.00 18.16 O HETATM 1922 O HOH 69 31.851 7.951 -5.927 1.00 35.23 O HETATM 1923 O HOH 70 23.628 1.680 29.592 1.00 24.46 O HETATM 1924 O HOH 71 22.003 1.132 27.637 1.00 29.40 O HETATM 1925 O HOH 72 37.505 -2.826 16.553 1.00 28.08 O HETATM 1926 O HOH 73 34.988 -9.682 3.966 1.00 26.23 O HETATM 1927 C21 TXS A 74 41.988 0.383 15.087 1.00 -0.03 C HETATM 1928 C22 TXS A 74 42.903 -0.417 16.033 1.00 -0.01 C HETATM 1929 C23 TXS A 74 42.680 -1.888 15.654 1.00 -0.01 C HETATM 1930 C24 TXS A 74 41.829 -1.833 14.385 1.00 -0.03 C HETATM 1931 N25 TXS A 74 41.032 -0.604 14.552 1.00 0.24 N HETATM 1932 C5' TXS A 74 40.549 -0.141 13.245 1.00 -0.00 C HETATM 1933 C4' TXS A 74 39.059 -0.475 13.182 1.00 0.13 C HETATM 1934 O4' TXS A 74 38.653 -1.403 12.145 1.00 -0.34 O HETATM 1935 C1' TXS A 74 37.272 -1.306 12.522 1.00 0.18 C HETATM 1936 C2' TXS A 74 36.972 0.142 12.146 1.00 0.03 C HETATM 1937 C3' TXS A 74 38.145 0.751 12.936 1.00 0.09 C HETATM 1938 O3' TXS A 74 37.688 1.201 14.216 1.00 -0.39 O HETATM 1939 H14 TXS A 74 37.122 1.956 14.102 1.00 0.21 H HETATM 1940 H13 TXS A 74 38.649 1.557 12.382 1.00 0.06 H HETATM 1941 H15 TXS A 74 37.046 0.325 11.064 1.00 0.03 H HETATM 1942 H16 TXS A 74 35.991 0.482 12.509 1.00 0.03 H HETATM 1943 N1 TXS A 74 36.380 -2.479 12.341 1.00 -0.17 N HETATM 1944 C6 TXS A 74 36.735 -3.575 13.139 1.00 0.05 C HETATM 1945 C5 TXS A 74 35.984 -4.738 13.121 1.00 0.02 C HETATM 1946 C5M TXS A 74 36.439 -5.896 13.999 1.00 -0.04 C HETATM 1947 H19 TXS A 74 37.349 -5.607 14.544 1.00 0.03 H HETATM 1948 H20 TXS A 74 36.652 -6.772 13.369 1.00 0.03 H HETATM 1949 H21 TXS A 74 35.645 -6.145 14.718 1.00 0.03 H HETATM 1950 C4 TXS A 74 34.851 -4.815 12.311 1.00 0.19 C HETATM 1951 O4 TXS A 74 34.176 -5.842 12.285 1.00 -0.41 O HETATM 1952 N3 TXS A 74 34.471 -3.717 11.515 1.00 -0.19 N HETATM 1953 C2 TXS A 74 35.229 -2.529 11.526 1.00 0.33 C HETATM 1954 O2 TXS A 74 34.885 -1.578 10.830 1.00 -0.38 O HETATM 1955 H22 TXS A 74 33.657 -3.781 10.938 1.00 0.23 H HETATM 1956 H18 TXS A 74 37.612 -3.511 13.781 1.00 0.10 H HETATM 1957 H17 TXS A 74 37.295 -1.269 13.621 1.00 0.10 H HETATM 1958 H12 TXS A 74 38.803 -0.915 14.157 1.00 0.07 H HETATM 1959 H10 TXS A 74 41.088 -0.658 12.437 1.00 0.08 H HETATM 1960 H11 TXS A 74 40.698 0.945 13.149 1.00 0.08 H HETATM 1961 H9 TXS A 74 40.259 -0.750 15.182 1.00 0.20 H HETATM 1962 H7 TXS A 74 41.177 -2.716 14.311 1.00 0.08 H HETATM 1963 H8 TXS A 74 42.464 -1.770 13.489 1.00 0.08 H HETATM 1964 H5 TXS A 74 42.147 -2.420 16.456 1.00 0.03 H HETATM 1965 H6 TXS A 74 43.640 -2.388 15.457 1.00 0.03 H HETATM 1966 H3 TXS A 74 42.622 -0.241 17.082 1.00 0.03 H HETATM 1967 H4 TXS A 74 43.956 -0.135 15.883 1.00 0.03 H HETATM 1968 H1 TXS A 74 42.574 0.834 14.273 1.00 0.08 H HETATM 1969 H2 TXS A 74 41.459 1.174 15.639 1.00 0.08 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 367 366 1248 CONECT 604 603 1411 CONECT 872 871 1645 CONECT 972 971 1070 CONECT 1070 972 1069 CONECT 1248 367 1247 CONECT 1411 604 1410 CONECT 1645 872 1644 CONECT 1927 1928 1931 1968 1969 CONECT 1928 1927 1929 1966 1967 CONECT 1929 1928 1930 1964 1965 CONECT 1930 1929 1931 1962 1963 CONECT 1931 1927 1930 1932 1961 CONECT 1932 1931 1933 1959 1960 CONECT 1933 1932 1934 1937 1958 CONECT 1934 1933 1935 CONECT 1935 1934 1936 1943 1957 CONECT 1936 1935 1937 1941 1942 CONECT 1937 1933 1936 1938 1940 CONECT 1938 1937 1939 CONECT 1939 1938 CONECT 1940 1937 CONECT 1941 1936 CONECT 1942 1936 CONECT 1943 1935 1944 1953 CONECT 1944 1943 1945 1956 CONECT 1945 1944 1946 1950 CONECT 1946 1945 1947 1948 1949 CONECT 1947 1946 CONECT 1948 1946 CONECT 1949 1946 CONECT 1950 1945 1951 1952 CONECT 1951 1950 CONECT 1952 1950 1953 1955 CONECT 1953 1943 1952 1954 CONECT 1954 1953 CONECT 1955 1952 CONECT 1956 1944 CONECT 1957 1935 CONECT 1958 1933 CONECT 1959 1932 CONECT 1960 1932 CONECT 1961 1931 CONECT 1962 1930 CONECT 1963 1930 CONECT 1964 1929 CONECT 1965 1929 CONECT 1966 1928 CONECT 1967 1928 CONECT 1968 1927 CONECT 1969 1927 MASTER 0 0 0 0 0 0 0 0 1968 1 55 10 END
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Entries with 90% protein sequence similarity cutoff in PDBbind
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124aa, >1AFK_1|Chains... at 99%
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124aa, >1AFL_1|Chains... at 99%
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124aa, >1DFJ_1|Chain... at 99%
1j7z
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PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
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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%
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RCSB PDB
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124aa, >1JVU_1|Chains... at 99%
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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%
2xog
RCSB PDB
PDBbind
124aa, >2XOG_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%
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
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124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
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124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
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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
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3d8z
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Ribonuclease pancreatic
Ligand Name
TXS
EC.Number
E.C.3.1.27.5
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Ki=423uM
Release Year
2009
Protein/NA Sequence
Check fasta file
Primary Reference
(2009) J.Med.Chem.
Ligand Properties
Formula
C
1
4
H
2
2
N
3
O
4
Molecular Weight
296.342
Exact Mass
296.161
No. of atoms
43
No. of bonds
45
Polar Surface Area
88.76
LOGP Value
-0.30 (
Computed with XLOGP3
)
-0.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
O[C@@H]1C[C@H](O[C@H]1C[NH+]1CCCC1)n1cc(C)c(=O)[nH]c1=O
InChI String
InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/p+1/t10-,11+,12+/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
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