Browse entries in the PDBbind-CN Database
HEADER 1O0O_COMPLEX COMPND 1O0O_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 A A 2P 38 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 35.175 20.890 8.596 1.00 27.94 N ATOM 2 CA LYS A 1 35.111 20.562 10.052 1.00 26.72 C ATOM 3 C LYS A 1 34.121 19.421 10.293 1.00 24.98 C ATOM 4 O LYS A 1 33.042 19.622 10.847 1.00 25.03 O ATOM 5 CB LYS A 1 34.731 21.800 10.874 1.00 27.87 C ATOM 6 CG LYS A 1 35.358 23.092 10.380 1.00 29.39 C ATOM 7 CD LYS A 1 34.591 23.649 9.189 1.00 31.24 C ATOM 8 CE LYS A 1 35.477 24.458 8.262 1.00 32.10 C ATOM 9 NZ LYS A 1 36.361 23.590 7.445 1.00 33.03 N ATOM 10 HA LYS A 1 36.099 20.236 10.378 1.00 0.00 H ATOM 11 HB2 LYS A 1 33.647 21.912 10.843 1.00 0.00 H ATOM 12 HB3 LYS A 1 35.049 21.638 11.904 1.00 0.00 H ATOM 13 HG2 LYS A 1 35.347 23.825 11.186 1.00 0.00 H ATOM 14 HG3 LYS A 1 36.388 22.898 10.082 1.00 0.00 H ATOM 15 HD2 LYS A 1 34.162 22.818 8.628 1.00 0.00 H ATOM 16 HD3 LYS A 1 33.790 24.290 9.556 1.00 0.00 H ATOM 17 HE2 LYS A 1 36.095 25.128 8.860 1.00 0.00 H ATOM 18 HE3 LYS A 1 34.846 25.046 7.595 1.00 0.00 H ATOM 19 HZ1 LYS A 1 36.972 23.030 8.073 1.00 0.00 H ATOM 20 HZ2 LYS A 1 35.779 22.952 6.866 1.00 0.00 H ATOM 21 HZ3 LYS A 1 36.950 24.182 6.825 1.00 0.00 H ATOM 22 HN3 LYS A 1 34.233 21.180 8.266 1.00 0.00 H ATOM 23 HN2 LYS A 1 35.486 20.051 8.066 1.00 0.00 H ATOM 24 HN1 LYS A 1 35.851 21.666 8.446 1.00 0.00 H ATOM 25 N GLU A 2 34.458 18.252 9.758 1.00 22.42 N ATOM 26 CA GLU A 2 33.703 17.018 9.970 1.00 20.63 C ATOM 27 C GLU A 2 33.707 16.550 11.436 1.00 19.63 C ATOM 28 O GLU A 2 34.769 16.334 12.014 1.00 20.39 O ATOM 29 CB GLU A 2 34.303 15.918 9.085 1.00 20.21 C ATOM 30 CG GLU A 2 33.526 14.622 9.117 1.00 19.05 C ATOM 31 CD GLU A 2 34.108 13.546 8.220 1.00 18.89 C ATOM 32 OE1 GLU A 2 35.283 13.183 8.411 1.00 20.09 O ATOM 33 OE2 GLU A 2 33.369 13.016 7.385 1.00 20.54 O ATOM 34 HA GLU A 2 32.665 17.220 9.707 1.00 0.00 H ATOM 35 HB2 GLU A 2 34.329 16.279 8.057 1.00 0.00 H ATOM 36 HB3 GLU A 2 35.319 15.719 9.425 1.00 0.00 H ATOM 37 HG2 GLU A 2 33.517 14.250 10.141 1.00 0.00 H ATOM 38 HG3 GLU A 2 32.504 14.824 8.796 1.00 0.00 H ATOM 39 H GLU A 2 35.305 18.213 9.156 1.00 0.00 H ATOM 40 N THR A 3 32.521 16.407 12.025 1.00 18.05 N ATOM 41 CA THR A 3 32.400 15.926 13.405 1.00 17.08 C ATOM 42 C THR A 3 32.685 14.420 13.438 1.00 16.12 C ATOM 43 O THR A 3 32.634 13.734 12.414 1.00 16.24 O ATOM 44 CB THR A 3 30.976 16.172 13.963 1.00 16.75 C ATOM 45 OG1 THR A 3 30.029 15.374 13.245 1.00 17.66 O ATOM 46 CG2 THR A 3 30.556 17.633 13.791 1.00 17.70 C ATOM 47 HA THR A 3 33.116 16.471 14.020 1.00 0.00 H ATOM 48 HB THR A 3 30.994 15.913 15.022 1.00 0.00 H ATOM 49 HG1 THR A 3 29.122 15.536 13.606 1.00 0.00 H ATOM 50 HG23 THR A 3 31.255 18.276 14.325 1.00 0.00 H ATOM 51 HG21 THR A 3 30.562 17.889 12.732 1.00 0.00 H ATOM 52 HG22 THR A 3 29.553 17.771 14.194 1.00 0.00 H ATOM 53 H THR A 3 31.659 16.642 11.493 1.00 0.00 H ATOM 54 N ALA A 4 32.918 13.900 14.643 1.00 16.29 N ATOM 55 CA ALA A 4 33.119 12.464 14.845 1.00 15.74 C ATOM 56 C ALA A 4 31.862 11.703 14.398 1.00 14.48 C ATOM 57 O ALA A 4 31.938 10.646 13.788 1.00 14.68 O ATOM 58 CB ALA A 4 33.448 12.170 16.314 1.00 16.11 C ATOM 59 HA ALA A 4 33.964 12.129 14.243 1.00 0.00 H ATOM 60 HB1 ALA A 4 34.359 12.699 16.594 1.00 0.00 H ATOM 61 HB2 ALA A 4 32.624 12.505 16.944 1.00 0.00 H ATOM 62 HB3 ALA A 4 33.594 11.098 16.445 1.00 0.00 H ATOM 63 H ALA A 4 32.958 14.535 15.466 1.00 0.00 H ATOM 64 N ALA A 5 30.695 12.271 14.706 1.00 14.71 N ATOM 65 CA ALA A 5 29.430 11.649 14.329 1.00 14.33 C ATOM 66 C ALA A 5 29.339 11.560 12.796 1.00 14.36 C ATOM 67 O ALA A 5 28.888 10.563 12.255 1.00 13.98 O ATOM 68 CB ALA A 5 28.251 12.428 14.880 1.00 14.67 C ATOM 69 HA ALA A 5 29.395 10.646 14.755 1.00 0.00 H ATOM 70 HB1 ALA A 5 28.314 12.459 15.968 1.00 0.00 H ATOM 71 HB2 ALA A 5 28.272 13.444 14.485 1.00 0.00 H ATOM 72 HB3 ALA A 5 27.323 11.940 14.582 1.00 0.00 H ATOM 73 H ALA A 5 30.687 13.173 15.224 1.00 0.00 H ATOM 74 N ALA A 6 29.723 12.658 12.126 1.00 15.37 N ATOM 75 CA ALA A 6 29.688 12.751 10.665 1.00 15.38 C ATOM 76 C ALA A 6 30.657 11.732 10.051 1.00 14.97 C ATOM 77 O ALA A 6 30.350 11.073 9.069 1.00 15.13 O ATOM 78 CB ALA A 6 30.034 14.160 10.216 1.00 16.99 C ATOM 79 HA ALA A 6 28.680 12.523 10.320 1.00 0.00 H ATOM 80 HB1 ALA A 6 29.312 14.861 10.634 1.00 0.00 H ATOM 81 HB2 ALA A 6 31.035 14.416 10.565 1.00 0.00 H ATOM 82 HB3 ALA A 6 30.003 14.211 9.128 1.00 0.00 H ATOM 83 H ALA A 6 30.060 13.479 12.668 1.00 0.00 H ATOM 84 N LYS A 7 31.826 11.609 10.655 1.00 15.09 N ATOM 85 CA LYS A 7 32.809 10.655 10.193 1.00 15.02 C ATOM 86 C LYS A 7 32.286 9.224 10.320 1.00 13.93 C ATOM 87 O LYS A 7 32.519 8.415 9.441 1.00 13.50 O ATOM 88 CB LYS A 7 34.119 10.809 10.938 1.00 15.43 C ATOM 89 CG LYS A 7 35.239 9.908 10.435 1.00 17.27 C ATOM 90 CD LYS A 7 36.553 10.169 11.140 1.00 18.73 C ATOM 91 CE LYS A 7 37.665 9.333 10.554 1.00 20.02 C ATOM 92 NZ LYS A 7 38.970 9.673 11.223 1.00 22.21 N ATOM 93 HA LYS A 7 32.994 10.861 9.139 1.00 0.00 H ATOM 94 HB2 LYS A 7 34.446 11.845 10.843 1.00 0.00 H ATOM 95 HB3 LYS A 7 33.943 10.580 11.989 1.00 0.00 H ATOM 96 HG2 LYS A 7 34.953 8.869 10.600 1.00 0.00 H ATOM 97 HG3 LYS A 7 35.374 10.081 9.367 1.00 0.00 H ATOM 98 HD2 LYS A 7 36.809 11.224 11.036 1.00 0.00 H ATOM 99 HD3 LYS A 7 36.444 9.925 12.197 1.00 0.00 H ATOM 100 HE2 LYS A 7 37.743 9.533 9.485 1.00 0.00 H ATOM 101 HE3 LYS A 7 37.444 8.277 10.709 1.00 0.00 H ATOM 102 HZ1 LYS A 7 39.183 10.680 11.074 1.00 0.00 H ATOM 103 HZ2 LYS A 7 38.896 9.480 12.242 1.00 0.00 H ATOM 104 HZ3 LYS A 7 39.730 9.093 10.813 1.00 0.00 H ATOM 105 H LYS A 7 32.042 12.209 11.477 1.00 0.00 H ATOM 106 N PHE A 8 31.562 8.907 11.404 1.00 13.02 N ATOM 107 CA PHE A 8 30.999 7.573 11.556 1.00 12.22 C ATOM 108 C PHE A 8 30.008 7.286 10.397 1.00 11.65 C ATOM 109 O PHE A 8 29.985 6.223 9.868 1.00 12.10 O ATOM 110 CB PHE A 8 30.344 7.421 12.957 1.00 11.38 C ATOM 111 CG PHE A 8 29.612 6.133 13.129 1.00 10.60 C ATOM 112 CD1 PHE A 8 28.330 5.979 12.623 1.00 11.62 C ATOM 113 CD2 PHE A 8 30.224 5.045 13.752 1.00 10.93 C ATOM 114 CE1 PHE A 8 27.677 4.784 12.708 1.00 11.70 C ATOM 115 CE2 PHE A 8 29.563 3.852 13.848 1.00 11.08 C ATOM 116 CZ PHE A 8 28.278 3.730 13.341 1.00 10.83 C ATOM 117 HA PHE A 8 31.792 6.827 11.497 1.00 0.00 H ATOM 118 HB2 PHE A 8 31.127 7.478 13.713 1.00 0.00 H ATOM 119 HB3 PHE A 8 29.641 8.241 13.101 1.00 0.00 H ATOM 120 HD2 PHE A 8 31.229 5.146 14.162 1.00 0.00 H ATOM 121 HE2 PHE A 8 30.046 2.998 14.323 1.00 0.00 H ATOM 122 HZ PHE A 8 27.742 2.787 13.448 1.00 0.00 H ATOM 123 HE1 PHE A 8 26.683 4.670 12.275 1.00 0.00 H ATOM 124 HD1 PHE A 8 27.836 6.827 12.149 1.00 0.00 H ATOM 125 H PHE A 8 31.401 9.621 12.143 1.00 0.00 H ATOM 126 N GLU A 9 29.109 8.221 10.114 1.00 12.54 N ATOM 127 CA GLU A 9 28.189 8.088 8.974 1.00 13.37 C ATOM 128 C GLU A 9 28.938 7.898 7.655 1.00 13.15 C ATOM 129 O GLU A 9 28.577 7.062 6.883 1.00 14.91 O ATOM 130 CB GLU A 9 27.273 9.300 8.921 1.00 14.05 C ATOM 131 CG GLU A 9 26.282 9.376 10.088 1.00 15.06 C ATOM 132 CD GLU A 9 25.356 10.577 10.007 1.00 18.19 C ATOM 133 OE1 GLU A 9 24.680 10.718 8.958 1.00 21.69 O ATOM 134 OE2 GLU A 9 25.281 11.374 10.980 1.00 20.40 O ATOM 135 HA GLU A 9 27.587 7.191 9.118 1.00 0.00 H ATOM 136 HB2 GLU A 9 27.890 10.199 8.934 1.00 0.00 H ATOM 137 HB3 GLU A 9 26.707 9.263 7.990 1.00 0.00 H ATOM 138 HG2 GLU A 9 25.676 8.470 10.088 1.00 0.00 H ATOM 139 HG3 GLU A 9 26.846 9.435 11.019 1.00 0.00 H ATOM 140 H GLU A 9 29.054 9.069 10.714 1.00 0.00 H ATOM 141 N ARG A 10 30.009 8.633 7.447 1.00 13.58 N ATOM 142 CA ARG A 10 30.731 8.486 6.191 1.00 13.85 C ATOM 143 C ARG A 10 31.412 7.126 6.096 1.00 13.58 C ATOM 144 O ARG A 10 31.383 6.459 5.045 1.00 14.66 O ATOM 145 CB ARG A 10 31.757 9.593 6.067 1.00 15.04 C ATOM 146 CG ARG A 10 32.725 9.427 4.880 1.00 16.53 C ATOM 147 CD ARG A 10 33.536 10.666 4.615 1.00 17.36 C ATOM 148 NE ARG A 10 34.400 10.987 5.729 1.00 19.03 N ATOM 149 CZ ARG A 10 35.548 10.384 5.989 1.00 19.32 C ATOM 150 NH1 ARG A 10 35.978 9.393 5.215 1.00 20.58 N ATOM 151 NH2 ARG A 10 36.279 10.765 7.022 1.00 20.93 N ATOM 152 HA ARG A 10 30.015 8.555 5.372 1.00 0.00 H ATOM 153 HB2 ARG A 10 31.228 10.538 5.947 1.00 0.00 H ATOM 154 HB3 ARG A 10 32.343 9.620 6.985 1.00 0.00 H ATOM 155 HG2 ARG A 10 33.406 8.604 5.097 1.00 0.00 H ATOM 156 HG3 ARG A 10 32.146 9.192 3.987 1.00 0.00 H ATOM 157 HD2 ARG A 10 32.858 11.502 4.441 1.00 0.00 H ATOM 158 HD3 ARG A 10 34.148 10.505 3.728 1.00 0.00 H ATOM 159 HE ARG A 10 34.097 11.746 6.372 1.00 0.00 H ATOM 160 HH12 ARG A 10 36.882 8.923 5.426 1.00 0.00 H ATOM 161 HH11 ARG A 10 35.411 9.087 4.399 1.00 0.00 H ATOM 162 HH22 ARG A 10 37.181 10.289 7.224 1.00 0.00 H ATOM 163 HH21 ARG A 10 35.952 11.541 7.633 1.00 0.00 H ATOM 164 H ARG A 10 30.335 9.308 8.168 1.00 0.00 H ATOM 165 N GLN A 11 32.024 6.692 7.208 1.00 13.02 N ATOM 166 CA GLN A 11 32.748 5.431 7.205 1.00 13.08 C ATOM 167 C GLN A 11 31.857 4.208 7.277 1.00 12.60 C ATOM 168 O GLN A 11 32.230 3.134 6.785 1.00 13.79 O ATOM 169 CB GLN A 11 33.738 5.340 8.367 1.00 13.93 C ATOM 170 CG GLN A 11 34.836 6.358 8.352 1.00 14.56 C ATOM 171 CD GLN A 11 36.005 5.872 9.170 1.00 17.38 C ATOM 172 OE1 GLN A 11 37.003 5.398 8.614 1.00 19.12 O ATOM 173 NE2 GLN A 11 35.870 5.910 10.482 1.00 16.25 N ATOM 174 HA GLN A 11 33.267 5.431 6.247 1.00 0.00 H ATOM 175 HB2 GLN A 11 33.180 5.460 9.296 1.00 0.00 H ATOM 176 HB3 GLN A 11 34.195 4.351 8.344 1.00 0.00 H ATOM 177 HG2 GLN A 11 35.159 6.525 7.324 1.00 0.00 H ATOM 178 HG3 GLN A 11 34.466 7.294 8.772 1.00 0.00 H ATOM 179 HE22 GLN A 11 35.012 6.319 10.905 1.00 0.00 H ATOM 180 HE21 GLN A 11 36.621 5.531 11.093 1.00 0.00 H ATOM 181 H GLN A 11 31.980 7.261 8.078 1.00 0.00 H ATOM 182 N HIS A 12 30.694 4.328 7.930 1.00 12.20 N ATOM 183 CA HIS A 12 29.935 3.132 8.272 1.00 11.70 C ATOM 184 C HIS A 12 28.476 3.068 7.877 1.00 13.15 C ATOM 185 O HIS A 12 27.916 2.005 7.993 1.00 15.02 O ATOM 186 CB HIS A 12 30.052 2.869 9.790 1.00 11.27 C ATOM 187 CG HIS A 12 31.471 2.759 10.266 1.00 10.39 C ATOM 188 ND1 HIS A 12 32.314 1.757 9.845 1.00 9.93 N ATOM 189 CD2 HIS A 12 32.189 3.522 11.125 1.00 10.44 C ATOM 190 CE1 HIS A 12 33.492 1.897 10.438 1.00 10.81 C ATOM 191 NE2 HIS A 12 33.441 2.959 11.220 1.00 10.08 N ATOM 192 HA HIS A 12 30.400 2.362 7.656 1.00 0.00 H ATOM 193 HB2 HIS A 12 29.571 3.690 10.322 1.00 0.00 H ATOM 194 HB3 HIS A 12 29.536 1.937 10.021 1.00 0.00 H ATOM 195 HD2 HIS A 12 31.840 4.415 11.644 1.00 0.00 H ATOM 196 HE1 HIS A 12 34.355 1.246 10.303 1.00 0.00 H ATOM 197 H HIS A 12 30.335 5.268 8.191 1.00 0.00 H ATOM 198 N MET A 13 27.857 4.173 7.454 1.00 12.99 N ATOM 199 CA MET A 13 26.439 4.139 7.130 1.00 14.24 C ATOM 200 C MET A 13 26.224 4.014 5.644 1.00 14.59 C ATOM 201 O MET A 13 26.800 4.793 4.863 1.00 16.20 O ATOM 202 CB MET A 13 25.756 5.411 7.602 1.00 14.14 C ATOM 203 CG MET A 13 25.571 5.451 9.117 1.00 14.79 C ATOM 204 SD MET A 13 24.659 4.026 9.898 1.00 15.96 S ATOM 205 CE MET A 13 23.114 4.239 9.063 1.00 16.03 C ATOM 206 HA MET A 13 26.013 3.272 7.635 1.00 0.00 H ATOM 207 HB2 MET A 13 26.363 6.265 7.301 1.00 0.00 H ATOM 208 HB3 MET A 13 24.776 5.478 7.129 1.00 0.00 H ATOM 209 HG2 MET A 13 25.024 6.363 9.357 1.00 0.00 H ATOM 210 HG3 MET A 13 26.562 5.494 9.568 1.00 0.00 H ATOM 211 HE1 MET A 13 22.710 5.225 9.294 1.00 0.00 H ATOM 212 HE2 MET A 13 23.269 4.151 7.988 1.00 0.00 H ATOM 213 HE3 MET A 13 22.414 3.472 9.395 1.00 0.00 H ATOM 214 H MET A 13 28.390 5.061 7.356 1.00 0.00 H ATOM 215 N ASP A 14 25.416 3.040 5.258 1.00 14.43 N ATOM 216 CA ASP A 14 24.985 2.930 3.862 1.00 15.34 C ATOM 217 C ASP A 14 23.551 2.427 3.830 1.00 15.00 C ATOM 218 O ASP A 14 23.287 1.299 3.537 1.00 15.19 O ATOM 219 CB ASP A 14 25.870 1.979 3.048 1.00 17.26 C ATOM 220 CG ASP A 14 25.460 1.927 1.575 1.00 20.24 C ATOM 221 OD1 ASP A 14 25.014 2.987 1.075 1.00 23.44 O ATOM 222 OD2 ASP A 14 25.551 0.889 0.874 1.00 21.08 O ATOM 223 HA ASP A 14 25.066 3.918 3.410 1.00 0.00 H ATOM 224 HB2 ASP A 14 26.904 2.319 3.113 1.00 0.00 H ATOM 225 HB3 ASP A 14 25.791 0.977 3.470 1.00 0.00 H ATOM 226 H ASP A 14 25.082 2.343 5.955 1.00 0.00 H ATOM 227 N SER A 15 22.628 3.294 4.194 1.00 14.81 N ATOM 228 CA SER A 15 21.207 2.919 4.258 1.00 16.06 C ATOM 229 C SER A 15 20.531 2.696 2.886 1.00 17.96 C ATOM 230 O SER A 15 19.414 2.146 2.798 1.00 20.93 O ATOM 231 CB SER A 15 20.423 4.017 4.985 1.00 15.43 C ATOM 232 OG SER A 15 20.983 4.341 6.228 1.00 15.18 O ATOM 233 HA SER A 15 21.187 1.965 4.785 1.00 0.00 H ATOM 234 HB2 SER A 15 19.401 3.673 5.141 1.00 0.00 H ATOM 235 HB3 SER A 15 20.413 4.911 4.362 1.00 0.00 H ATOM 236 HG SER A 15 20.990 3.537 6.805 1.00 0.00 H ATOM 237 H SER A 15 22.910 4.264 4.441 1.00 0.00 H ATOM 238 N SER A 16 21.179 3.159 1.815 1.00 19.92 N ATOM 239 CA SER A 16 20.616 3.156 0.434 1.00 23.29 C ATOM 240 C SER A 16 20.469 1.821 -0.309 1.00 26.25 C ATOM 241 O SER A 16 19.682 1.747 -1.252 1.00 28.01 O ATOM 242 CB SER A 16 21.442 4.083 -0.491 1.00 23.66 C ATOM 243 OG SER A 16 21.471 5.431 -0.068 1.00 24.98 O ATOM 244 HA SER A 16 19.597 3.492 0.628 1.00 0.00 H ATOM 245 HB2 SER A 16 21.009 4.045 -1.491 1.00 0.00 H ATOM 246 HB3 SER A 16 22.466 3.711 -0.525 1.00 0.00 H ATOM 247 HG SER A 16 21.872 5.484 0.836 1.00 0.00 H ATOM 248 H SER A 16 22.135 3.545 1.952 1.00 0.00 H ATOM 249 N THR A 17 21.186 0.768 0.065 1.00 29.09 N ATOM 250 CA THR A 17 21.121 -0.438 -0.767 1.00 31.31 C ATOM 251 C THR A 17 20.214 -1.547 -0.271 1.00 32.62 C ATOM 252 O THR A 17 19.943 -2.485 -1.021 1.00 33.45 O ATOM 253 CB THR A 17 22.534 -1.009 -1.059 1.00 31.70 C ATOM 254 OG1 THR A 17 23.051 -1.702 0.079 1.00 31.85 O ATOM 255 CG2 THR A 17 23.540 0.101 -1.288 1.00 32.63 C ATOM 256 HA THR A 17 20.657 -0.078 -1.685 1.00 0.00 H ATOM 257 HB THR A 17 22.414 -1.653 -1.930 1.00 0.00 H ATOM 258 HG1 THR A 17 23.951 -2.056 -0.132 1.00 0.00 H ATOM 259 HG23 THR A 17 23.232 0.697 -2.147 1.00 0.00 H ATOM 260 HG21 THR A 17 23.587 0.735 -0.403 1.00 0.00 H ATOM 261 HG22 THR A 17 24.521 -0.333 -1.478 1.00 0.00 H ATOM 262 H THR A 17 21.775 0.797 0.921 1.00 0.00 H ATOM 263 N SER A 18 19.749 -1.460 0.972 1.00 33.91 N ATOM 264 CA SER A 18 18.899 -2.499 1.554 1.00 34.76 C ATOM 265 C SER A 18 19.667 -3.810 1.629 1.00 34.83 C ATOM 266 O SER A 18 19.119 -4.825 2.043 1.00 35.86 O ATOM 267 CB SER A 18 17.614 -2.708 0.740 1.00 34.93 C ATOM 268 OG SER A 18 16.795 -1.553 0.746 1.00 36.09 O ATOM 269 HA SER A 18 18.616 -2.171 2.554 1.00 0.00 H ATOM 270 HB2 SER A 18 17.055 -3.540 1.169 1.00 0.00 H ATOM 271 HB3 SER A 18 17.883 -2.945 -0.289 1.00 0.00 H ATOM 272 HG SER A 18 15.979 -1.726 0.213 1.00 0.00 H ATOM 273 H SER A 18 19.997 -0.629 1.547 1.00 0.00 H ATOM 274 N ALA A 19 20.928 -3.776 1.197 1.00 34.78 N ATOM 275 CA ALA A 19 21.810 -4.936 1.195 1.00 34.05 C ATOM 276 C ALA A 19 21.698 -5.731 -0.106 1.00 33.66 C ATOM 277 O ALA A 19 20.861 -6.619 -0.235 1.00 33.89 O ATOM 278 CB ALA A 19 21.546 -5.820 2.396 1.00 34.50 C ATOM 279 HA ALA A 19 22.833 -4.567 1.263 1.00 0.00 H ATOM 280 HB1 ALA A 19 21.718 -5.251 3.309 1.00 0.00 H ATOM 281 HB2 ALA A 19 20.513 -6.166 2.371 1.00 0.00 H ATOM 282 HB3 ALA A 19 22.218 -6.678 2.369 1.00 0.00 H ATOM 283 H ALA A 19 21.302 -2.873 0.842 1.00 0.00 H ATOM 284 N ALA A 20 22.553 -5.382 -1.064 1.00 32.55 N ATOM 285 CA ALA A 20 22.629 -6.057 -2.356 1.00 32.02 C ATOM 286 C ALA A 20 24.054 -5.884 -2.881 1.00 31.39 C ATOM 287 O ALA A 20 24.318 -5.968 -4.080 1.00 31.68 O ATOM 288 CB ALA A 20 21.624 -5.467 -3.316 1.00 32.15 C ATOM 289 HA ALA A 20 22.394 -7.116 -2.253 1.00 0.00 H ATOM 290 HB1 ALA A 20 20.620 -5.588 -2.909 1.00 0.00 H ATOM 291 HB2 ALA A 20 21.835 -4.407 -3.455 1.00 0.00 H ATOM 292 HB3 ALA A 20 21.694 -5.981 -4.274 1.00 0.00 H ATOM 293 H ALA A 20 23.200 -4.588 -0.883 1.00 0.00 H ATOM 294 N SER A 21 24.970 -5.636 -1.954 1.00 30.37 N ATOM 295 CA SER A 21 26.373 -5.402 -2.258 1.00 29.43 C ATOM 296 C SER A 21 26.946 -6.403 -3.237 1.00 28.74 C ATOM 297 O SER A 21 26.976 -7.600 -2.958 1.00 28.81 O ATOM 298 CB SER A 21 27.168 -5.442 -0.955 1.00 29.54 C ATOM 299 OG SER A 21 26.621 -4.504 -0.043 1.00 28.81 O ATOM 300 HA SER A 21 26.448 -4.425 -2.736 1.00 0.00 H ATOM 301 HB2 SER A 21 28.209 -5.190 -1.156 1.00 0.00 H ATOM 302 HB3 SER A 21 27.113 -6.442 -0.525 1.00 0.00 H ATOM 303 HG SER A 21 25.675 -4.734 0.138 1.00 0.00 H ATOM 304 H SER A 21 24.669 -5.607 -0.959 1.00 0.00 H ATOM 305 N SER A 22 27.400 -5.899 -4.383 1.00 27.74 N ATOM 306 CA SER A 22 28.000 -6.756 -5.401 1.00 26.93 C ATOM 307 C SER A 22 29.375 -7.175 -4.929 1.00 26.02 C ATOM 308 O SER A 22 29.860 -6.671 -3.930 1.00 26.59 O ATOM 309 CB SER A 22 28.093 -6.043 -6.755 1.00 26.97 C ATOM 310 OG SER A 22 29.099 -5.043 -6.788 1.00 26.89 O ATOM 311 HA SER A 22 27.368 -7.633 -5.544 1.00 0.00 H ATOM 312 HB2 SER A 22 27.132 -5.576 -6.968 1.00 0.00 H ATOM 313 HB3 SER A 22 28.314 -6.784 -7.523 1.00 0.00 H ATOM 314 HG SER A 22 29.112 -4.619 -7.683 1.00 0.00 H ATOM 315 H SER A 22 27.326 -4.876 -4.556 1.00 0.00 H ATOM 316 N SER A 23 30.016 -8.084 -5.656 1.00 24.81 N ATOM 317 CA SER A 23 31.361 -8.507 -5.284 1.00 23.50 C ATOM 318 C SER A 23 32.318 -7.334 -5.350 1.00 22.40 C ATOM 319 O SER A 23 33.389 -7.368 -4.750 1.00 23.05 O ATOM 320 CB SER A 23 31.856 -9.643 -6.177 1.00 23.05 C ATOM 321 OG SER A 23 31.635 -9.365 -7.548 1.00 21.67 O ATOM 322 HA SER A 23 31.322 -8.878 -4.260 1.00 0.00 H ATOM 323 HB2 SER A 23 31.326 -10.558 -5.912 1.00 0.00 H ATOM 324 HB3 SER A 23 32.924 -9.783 -6.012 1.00 0.00 H ATOM 325 HG SER A 23 32.118 -8.538 -7.798 1.00 0.00 H ATOM 326 H SER A 23 29.557 -8.495 -6.494 1.00 0.00 H ATOM 327 N ASN A 24 31.924 -6.285 -6.061 1.00 22.23 N ATOM 328 CA ASN A 24 32.742 -5.085 -6.179 1.00 22.27 C ATOM 329 C ASN A 24 32.312 -3.941 -5.245 1.00 21.33 C ATOM 330 O ASN A 24 32.906 -2.883 -5.282 1.00 20.42 O ATOM 331 CB ASN A 24 32.749 -4.591 -7.626 1.00 23.69 C ATOM 332 CG ASN A 24 33.490 -5.526 -8.548 1.00 26.53 C ATOM 333 OD1 ASN A 24 34.626 -5.922 -8.274 1.00 29.69 O ATOM 334 ND2 ASN A 24 32.851 -5.895 -9.638 1.00 29.91 N ATOM 335 HA ASN A 24 33.745 -5.377 -5.869 1.00 0.00 H ATOM 336 HB2 ASN A 24 31.719 -4.502 -7.971 1.00 0.00 H ATOM 337 HB3 ASN A 24 33.228 -3.613 -7.660 1.00 0.00 H ATOM 338 HD22 ASN A 24 31.894 -5.535 -9.827 1.00 0.00 H ATOM 339 HD21 ASN A 24 33.303 -6.547 -10.310 1.00 0.00 H ATOM 340 H ASN A 24 31.006 -6.320 -6.548 1.00 0.00 H ATOM 341 N TYR A 25 31.291 -4.172 -4.415 1.00 20.70 N ATOM 342 CA TYR A 25 30.762 -3.159 -3.494 1.00 19.86 C ATOM 343 C TYR A 25 31.877 -2.510 -2.671 1.00 18.02 C ATOM 344 O TYR A 25 32.022 -1.303 -2.656 1.00 18.44 O ATOM 345 CB TYR A 25 29.709 -3.778 -2.576 1.00 19.75 C ATOM 346 CG TYR A 25 29.180 -2.864 -1.498 1.00 20.23 C ATOM 347 CD1 TYR A 25 28.166 -1.948 -1.764 1.00 21.91 C ATOM 348 CD2 TYR A 25 29.693 -2.935 -0.215 1.00 18.60 C ATOM 349 CE1 TYR A 25 27.671 -1.117 -0.776 1.00 20.43 C ATOM 350 CE2 TYR A 25 29.215 -2.123 0.781 1.00 18.83 C ATOM 351 CZ TYR A 25 28.200 -1.214 0.502 1.00 18.28 C ATOM 352 OH TYR A 25 27.730 -0.420 1.525 1.00 18.58 O ATOM 353 HA TYR A 25 30.295 -2.375 -4.091 1.00 0.00 H ATOM 354 HB3 TYR A 25 30.152 -4.649 -2.093 1.00 0.00 H ATOM 355 HB2 TYR A 25 28.868 -4.095 -3.193 1.00 0.00 H ATOM 356 HD2 TYR A 25 30.488 -3.646 0.007 1.00 0.00 H ATOM 357 HE2 TYR A 25 29.629 -2.190 1.787 1.00 0.00 H ATOM 358 HE1 TYR A 25 26.881 -0.400 -0.997 1.00 0.00 H ATOM 359 HD1 TYR A 25 27.754 -1.885 -2.771 1.00 0.00 H ATOM 360 HH TYR A 25 27.015 0.172 1.180 1.00 0.00 H ATOM 361 H TYR A 25 30.850 -5.114 -4.422 1.00 0.00 H ATOM 362 N CYS A 26 32.694 -3.312 -2.000 1.00 17.33 N ATOM 363 CA CYS A 26 33.725 -2.740 -1.143 1.00 17.38 C ATOM 364 C CYS A 26 34.763 -1.981 -1.941 1.00 17.59 C ATOM 365 O CYS A 26 35.222 -0.929 -1.519 1.00 17.32 O ATOM 366 CB CYS A 26 34.392 -3.829 -0.322 1.00 16.48 C ATOM 367 SG CYS A 26 33.319 -4.432 0.986 1.00 15.95 S ATOM 368 HA CYS A 26 33.238 -2.031 -0.473 1.00 0.00 H ATOM 369 HB2 CYS A 26 35.301 -3.427 0.125 1.00 0.00 H ATOM 370 HB3 CYS A 26 34.648 -4.660 -0.979 1.00 0.00 H ATOM 371 H CYS A 26 32.599 -4.344 -2.085 1.00 0.00 H ATOM 372 N ASN A 27 35.149 -2.511 -3.103 1.00 18.57 N ATOM 373 CA ASN A 27 36.117 -1.784 -3.928 1.00 19.57 C ATOM 374 C ASN A 27 35.628 -0.371 -4.237 1.00 20.16 C ATOM 375 O ASN A 27 36.377 0.584 -4.081 1.00 20.19 O ATOM 376 CB ASN A 27 36.422 -2.525 -5.227 1.00 19.91 C ATOM 377 CG ASN A 27 37.115 -3.825 -4.987 1.00 21.03 C ATOM 378 OD1 ASN A 27 37.917 -3.936 -4.070 1.00 21.42 O ATOM 379 ND2 ASN A 27 36.793 -4.842 -5.800 1.00 23.16 N ATOM 380 HA ASN A 27 37.038 -1.718 -3.350 1.00 0.00 H ATOM 381 HB2 ASN A 27 35.485 -2.718 -5.749 1.00 0.00 H ATOM 382 HB3 ASN A 27 37.060 -1.896 -5.848 1.00 0.00 H ATOM 383 HD22 ASN A 27 36.105 -4.697 -6.566 1.00 0.00 H ATOM 384 HD21 ASN A 27 37.232 -5.775 -5.664 1.00 0.00 H ATOM 385 H ASN A 27 34.769 -3.426 -3.418 1.00 0.00 H ATOM 386 N GLN A 28 34.356 -0.254 -4.604 1.00 20.58 N ATOM 387 CA GLN A 28 33.758 1.034 -4.938 1.00 21.94 C ATOM 388 C GLN A 28 33.455 1.903 -3.709 1.00 21.66 C ATOM 389 O GLN A 28 33.853 3.064 -3.662 1.00 21.95 O ATOM 390 CB GLN A 28 32.487 0.819 -5.727 1.00 23.22 C ATOM 391 CG GLN A 28 32.734 0.160 -7.079 1.00 26.31 C ATOM 392 CD GLN A 28 31.472 0.027 -7.907 1.00 30.60 C ATOM 393 OE1 GLN A 28 30.540 -0.685 -7.521 1.00 33.23 O ATOM 394 NE2 GLN A 28 31.436 0.705 -9.051 1.00 33.33 N ATOM 395 HA GLN A 28 34.495 1.573 -5.533 1.00 0.00 H ATOM 396 HB2 GLN A 28 31.820 0.182 -5.146 1.00 0.00 H ATOM 397 HB3 GLN A 28 32.012 1.786 -5.892 1.00 0.00 H ATOM 398 HG2 GLN A 28 33.453 0.762 -7.634 1.00 0.00 H ATOM 399 HG3 GLN A 28 33.147 -0.835 -6.912 1.00 0.00 H ATOM 400 HE22 GLN A 28 32.247 1.292 -9.333 1.00 0.00 H ATOM 401 HE21 GLN A 28 30.597 0.648 -9.663 1.00 0.00 H ATOM 402 H GLN A 28 33.767 -1.110 -4.655 1.00 0.00 H ATOM 403 N MET A 29 32.726 1.356 -2.728 1.00 21.53 N ATOM 404 CA MET A 29 32.481 2.073 -1.465 1.00 21.58 C ATOM 405 C MET A 29 33.734 2.510 -0.707 1.00 20.63 C ATOM 406 O MET A 29 33.807 3.638 -0.228 1.00 21.42 O ATOM 407 CB MET A 29 31.580 1.254 -0.536 1.00 21.83 C ATOM 408 CG MET A 29 30.178 1.119 -1.041 1.00 23.73 C ATOM 409 SD MET A 29 29.353 2.718 -1.067 1.00 26.98 S ATOM 410 CE MET A 29 29.092 3.045 0.634 1.00 25.71 C ATOM 411 HA MET A 29 31.983 2.993 -1.771 1.00 0.00 H ATOM 412 HB2 MET A 29 32.007 0.257 -0.429 1.00 0.00 H ATOM 413 HB3 MET A 29 31.552 1.742 0.438 1.00 0.00 H ATOM 414 HG2 MET A 29 29.626 0.442 -0.389 1.00 0.00 H ATOM 415 HG3 MET A 29 30.199 0.711 -2.051 1.00 0.00 H ATOM 416 HE1 MET A 29 28.472 2.258 1.063 1.00 0.00 H ATOM 417 HE2 MET A 29 30.052 3.074 1.149 1.00 0.00 H ATOM 418 HE3 MET A 29 28.589 4.006 0.745 1.00 0.00 H ATOM 419 H MET A 29 32.325 0.406 -2.861 1.00 0.00 H ATOM 420 N MET A 30 34.720 1.648 -0.511 1.00 19.97 N ATOM 421 CA MET A 30 35.877 2.100 0.225 1.00 20.09 C ATOM 422 C MET A 30 36.510 3.327 -0.437 1.00 21.54 C ATOM 423 O MET A 30 37.054 4.195 0.225 1.00 21.75 O ATOM 424 CB MET A 30 36.889 0.970 0.361 1.00 19.54 C ATOM 425 CG MET A 30 36.406 -0.177 1.277 1.00 17.98 C ATOM 426 SD MET A 30 36.138 0.312 3.005 1.00 16.01 S ATOM 427 CE MET A 30 37.843 0.490 3.565 1.00 18.19 C ATOM 428 HA MET A 30 35.553 2.397 1.223 1.00 0.00 H ATOM 429 HB2 MET A 30 37.087 0.562 -0.630 1.00 0.00 H ATOM 430 HB3 MET A 30 37.811 1.379 0.775 1.00 0.00 H ATOM 431 HG2 MET A 30 37.155 -0.969 1.258 1.00 0.00 H ATOM 432 HG3 MET A 30 35.466 -0.559 0.880 1.00 0.00 H ATOM 433 HE1 MET A 30 38.362 -0.462 3.453 1.00 0.00 H ATOM 434 HE2 MET A 30 38.343 1.251 2.966 1.00 0.00 H ATOM 435 HE3 MET A 30 37.850 0.789 4.613 1.00 0.00 H ATOM 436 H MET A 30 34.663 0.676 -0.876 1.00 0.00 H ATOM 437 N LYS A 31 36.482 3.350 -1.761 1.00 22.72 N ATOM 438 CA LYS A 31 36.943 4.495 -2.530 1.00 23.26 C ATOM 439 C LYS A 31 36.003 5.707 -2.437 1.00 22.94 C ATOM 440 O LYS A 31 36.464 6.799 -2.139 1.00 23.02 O ATOM 441 CB LYS A 31 37.164 4.067 -3.985 1.00 23.98 C ATOM 442 CG LYS A 31 37.601 5.168 -4.950 1.00 26.11 C ATOM 443 CD LYS A 31 37.861 4.568 -6.342 1.00 28.84 C ATOM 444 CE LYS A 31 36.514 4.139 -6.957 1.00 30.60 C ATOM 445 NZ LYS A 31 36.354 2.910 -7.783 1.00 31.77 N ATOM 446 HA LYS A 31 37.886 4.829 -2.097 1.00 0.00 H ATOM 447 HB2 LYS A 31 37.932 3.293 -3.992 1.00 0.00 H ATOM 448 HB3 LYS A 31 36.227 3.651 -4.356 1.00 0.00 H ATOM 449 HG2 LYS A 31 36.815 5.920 -5.021 1.00 0.00 H ATOM 450 HG3 LYS A 31 38.515 5.633 -4.579 1.00 0.00 H ATOM 451 HD2 LYS A 31 38.335 5.314 -6.980 1.00 0.00 H ATOM 452 HD3 LYS A 31 38.515 3.701 -6.251 1.00 0.00 H ATOM 453 HE2 LYS A 31 36.194 4.969 -7.587 1.00 0.00 H ATOM 454 HE3 LYS A 31 35.823 4.031 -6.121 1.00 0.00 H ATOM 455 HZ1 LYS A 31 36.971 2.972 -8.618 1.00 0.00 H ATOM 456 HZ2 LYS A 31 36.617 2.077 -7.218 1.00 0.00 H ATOM 457 HZ3 LYS A 31 35.363 2.825 -8.088 1.00 0.00 H ATOM 458 H LYS A 31 36.117 2.519 -2.269 1.00 0.00 H ATOM 459 N SER A 32 34.715 5.531 -2.704 1.00 23.10 N ATOM 460 CA SER A 32 33.798 6.671 -2.692 1.00 23.54 C ATOM 461 C SER A 32 33.756 7.379 -1.324 1.00 22.88 C ATOM 462 O SER A 32 33.628 8.603 -1.247 1.00 24.03 O ATOM 463 CB SER A 32 32.405 6.221 -3.094 1.00 24.44 C ATOM 464 OG SER A 32 31.912 5.224 -2.235 1.00 26.60 O ATOM 465 HA SER A 32 34.172 7.396 -3.415 1.00 0.00 H ATOM 466 HB2 SER A 32 32.440 5.827 -4.110 1.00 0.00 H ATOM 467 HB3 SER A 32 31.733 7.079 -3.062 1.00 0.00 H ATOM 468 HG SER A 32 31.005 4.957 -2.528 1.00 0.00 H ATOM 469 H SER A 32 34.356 4.580 -2.922 1.00 0.00 H ATOM 470 N ARG A 33 33.854 6.617 -0.236 1.00 21.83 N ATOM 471 CA ARG A 33 33.816 7.224 1.103 1.00 21.15 C ATOM 472 C ARG A 33 35.162 7.748 1.597 1.00 22.51 C ATOM 473 O ARG A 33 35.326 8.066 2.777 1.00 22.09 O ATOM 474 CB ARG A 33 33.243 6.235 2.123 1.00 20.73 C ATOM 475 CG ARG A 33 31.832 5.818 1.809 1.00 18.98 C ATOM 476 CD ARG A 33 30.860 6.980 1.752 1.00 17.54 C ATOM 477 NE ARG A 33 29.499 6.556 1.544 1.00 18.18 N ATOM 478 CZ ARG A 33 28.686 6.110 2.504 1.00 17.16 C ATOM 479 NH1 ARG A 33 29.116 6.000 3.763 1.00 15.75 N ATOM 480 NH2 ARG A 33 27.455 5.732 2.211 1.00 18.18 N ATOM 481 HA ARG A 33 33.167 8.094 1.007 1.00 0.00 H ATOM 482 HB2 ARG A 33 33.873 5.346 2.137 1.00 0.00 H ATOM 483 HB3 ARG A 33 33.256 6.704 3.107 1.00 0.00 H ATOM 484 HG2 ARG A 33 31.827 5.315 0.842 1.00 0.00 H ATOM 485 HG3 ARG A 33 31.497 5.124 2.580 1.00 0.00 H ATOM 486 HD2 ARG A 33 31.150 7.638 0.933 1.00 0.00 H ATOM 487 HD3 ARG A 33 30.915 7.528 2.693 1.00 0.00 H ATOM 488 HE ARG A 33 29.123 6.601 0.576 1.00 0.00 H ATOM 489 HH12 ARG A 33 28.474 5.651 4.503 1.00 0.00 H ATOM 490 HH11 ARG A 33 30.093 6.263 4.004 1.00 0.00 H ATOM 491 HH22 ARG A 33 26.825 5.385 2.962 1.00 0.00 H ATOM 492 HH21 ARG A 33 27.116 5.781 1.229 1.00 0.00 H ATOM 493 H ARG A 33 33.958 5.587 -0.334 1.00 0.00 H ATOM 494 N ASN A 34 36.136 7.831 0.689 1.00 23.79 N ATOM 495 CA ASN A 34 37.457 8.346 1.019 1.00 25.51 C ATOM 496 C ASN A 34 38.163 7.559 2.118 1.00 25.88 C ATOM 497 O ASN A 34 38.734 8.140 3.042 1.00 26.88 O ATOM 498 CB ASN A 34 37.369 9.831 1.397 1.00 26.25 C ATOM 499 CG ASN A 34 38.733 10.493 1.501 1.00 29.35 C ATOM 500 OD1 ASN A 34 39.531 10.168 2.380 1.00 31.94 O ATOM 501 ND2 ASN A 34 39.005 11.430 0.602 1.00 32.62 N ATOM 502 HA ASN A 34 38.065 8.228 0.122 1.00 0.00 H ATOM 503 HB2 ASN A 34 36.786 10.351 0.636 1.00 0.00 H ATOM 504 HB3 ASN A 34 36.866 9.917 2.360 1.00 0.00 H ATOM 505 HD22 ASN A 34 38.301 11.674 -0.124 1.00 0.00 H ATOM 506 HD21 ASN A 34 39.922 11.921 0.623 1.00 0.00 H ATOM 507 H ASN A 34 35.946 7.518 -0.284 1.00 0.00 H ATOM 508 N LEU A 35 38.156 6.237 1.994 1.00 25.74 N ATOM 509 CA LEU A 35 38.800 5.377 2.978 1.00 25.47 C ATOM 510 C LEU A 35 40.068 4.747 2.386 1.00 26.86 C ATOM 511 O LEU A 35 40.686 3.883 3.003 1.00 27.09 O ATOM 512 CB LEU A 35 37.831 4.289 3.460 1.00 24.40 C ATOM 513 CG LEU A 35 36.504 4.844 3.988 1.00 21.66 C ATOM 514 CD1 LEU A 35 35.653 3.719 4.555 1.00 20.65 C ATOM 515 CD2 LEU A 35 36.744 5.888 5.048 1.00 21.60 C ATOM 516 HA LEU A 35 39.084 5.985 3.837 1.00 0.00 H ATOM 517 HB2 LEU A 35 37.618 3.621 2.625 1.00 0.00 H ATOM 518 HB3 LEU A 35 38.313 3.727 4.260 1.00 0.00 H ATOM 519 HG LEU A 35 35.975 5.309 3.156 1.00 0.00 H ATOM 520 HD21 LEU A 35 37.294 5.442 5.877 1.00 0.00 H ATOM 521 HD22 LEU A 35 37.324 6.708 4.624 1.00 0.00 H ATOM 522 HD23 LEU A 35 35.787 6.266 5.407 1.00 0.00 H ATOM 523 HD11 LEU A 35 35.449 2.989 3.771 1.00 0.00 H ATOM 524 HD12 LEU A 35 36.189 3.236 5.372 1.00 0.00 H ATOM 525 HD13 LEU A 35 34.713 4.128 4.926 1.00 0.00 H ATOM 526 H LEU A 35 37.680 5.806 1.176 1.00 0.00 H ATOM 527 N THR A 36 40.451 5.182 1.190 1.00 28.47 N ATOM 528 CA THR A 36 41.673 4.681 0.547 1.00 29.49 C ATOM 529 C THR A 36 42.470 5.823 -0.067 1.00 30.51 C ATOM 530 O THR A 36 43.165 5.645 -1.075 1.00 30.53 O ATOM 531 CB THR A 36 41.352 3.649 -0.535 1.00 29.81 C ATOM 532 OG1 THR A 36 40.580 4.252 -1.582 1.00 29.70 O ATOM 533 CG2 THR A 36 40.483 2.532 0.019 1.00 30.36 C ATOM 534 HA THR A 36 42.270 4.201 1.323 1.00 0.00 H ATOM 535 HB THR A 36 42.306 3.267 -0.897 1.00 0.00 H ATOM 536 HG1 THR A 36 40.379 3.574 -2.275 1.00 0.00 H ATOM 537 HG23 THR A 36 41.014 2.027 0.826 1.00 0.00 H ATOM 538 HG21 THR A 36 39.553 2.953 0.401 1.00 0.00 H ATOM 539 HG22 THR A 36 40.261 1.818 -0.774 1.00 0.00 H ATOM 540 H THR A 36 39.873 5.893 0.698 1.00 0.00 H ATOM 541 N LYS A 37 42.360 6.996 0.544 1.00 31.52 N ATOM 542 CA LYS A 37 43.053 8.176 0.055 1.00 32.28 C ATOM 543 C LYS A 37 44.488 8.204 0.559 1.00 32.54 C ATOM 544 O LYS A 37 45.427 8.371 -0.225 1.00 32.80 O ATOM 545 CB LYS A 37 42.320 9.440 0.505 1.00 32.76 C ATOM 546 CG LYS A 37 42.967 10.729 0.036 1.00 33.52 C ATOM 547 CD LYS A 37 42.179 11.949 0.474 1.00 34.65 C ATOM 548 CE LYS A 37 42.826 13.222 -0.049 1.00 35.37 C ATOM 549 NZ LYS A 37 42.049 14.438 0.302 1.00 36.19 N ATOM 550 HA LYS A 37 43.068 8.138 -1.034 1.00 0.00 H ATOM 551 HB2 LYS A 37 41.303 9.404 0.114 1.00 0.00 H ATOM 552 HB3 LYS A 37 42.289 9.449 1.595 1.00 0.00 H ATOM 553 HG2 LYS A 37 43.973 10.791 0.452 1.00 0.00 H ATOM 554 HG3 LYS A 37 43.025 10.719 -1.052 1.00 0.00 H ATOM 555 HD2 LYS A 37 41.163 11.878 0.086 1.00 0.00 H ATOM 556 HD3 LYS A 37 42.149 11.984 1.563 1.00 0.00 H ATOM 557 HE2 LYS A 37 42.902 13.156 -1.134 1.00 0.00 H ATOM 558 HE3 LYS A 37 43.825 13.309 0.379 1.00 0.00 H ATOM 559 HZ1 LYS A 37 41.096 14.369 -0.109 1.00 0.00 H ATOM 560 HZ2 LYS A 37 41.977 14.515 1.337 1.00 0.00 H ATOM 561 HZ3 LYS A 37 42.532 15.278 -0.077 1.00 0.00 H ATOM 562 H LYS A 37 41.764 7.073 1.393 1.00 0.00 H ATOM 563 N ASP A 38 44.657 8.062 1.872 1.00 32.67 N ATOM 564 CA ASP A 38 45.988 8.090 2.475 1.00 33.12 C ATOM 565 C ASP A 38 46.627 6.711 2.489 1.00 32.73 C ATOM 566 O ASP A 38 47.835 6.576 2.297 1.00 33.23 O ATOM 567 CB ASP A 38 45.929 8.654 3.895 1.00 33.42 C ATOM 568 CG ASP A 38 44.902 7.958 4.754 1.00 34.31 C ATOM 569 OD1 ASP A 38 44.782 8.316 5.943 1.00 35.88 O ATOM 570 OD2 ASP A 38 44.169 7.040 4.322 1.00 35.03 O ATOM 571 HA ASP A 38 46.607 8.743 1.860 1.00 0.00 H ATOM 572 HB2 ASP A 38 46.909 8.537 4.358 1.00 0.00 H ATOM 573 HB3 ASP A 38 45.678 9.713 3.840 1.00 0.00 H ATOM 574 H ASP A 38 43.825 7.928 2.481 1.00 0.00 H ATOM 575 N ARG A 39 45.806 5.692 2.711 1.00 32.10 N ATOM 576 CA ARG A 39 46.260 4.312 2.727 1.00 31.60 C ATOM 577 C ARG A 39 45.080 3.367 2.597 1.00 30.53 C ATOM 578 O ARG A 39 43.953 3.821 2.425 1.00 30.57 O ATOM 579 CB ARG A 39 46.937 4.031 4.009 1.00 31.84 C ATOM 580 CG ARG A 39 46.098 4.300 5.170 1.00 33.22 C ATOM 581 CD ARG A 39 46.803 3.773 6.217 1.00 34.54 C ATOM 582 NE ARG A 39 46.808 2.425 6.631 1.00 35.64 N ATOM 583 CZ ARG A 39 46.212 1.886 7.650 1.00 35.93 C ATOM 584 NH1 ARG A 39 45.136 2.378 8.275 1.00 36.06 N ATOM 585 NH2 ARG A 39 46.663 0.687 7.899 1.00 36.22 N ATOM 586 HA ARG A 39 46.944 4.164 1.892 1.00 0.00 H ATOM 587 HB2 ARG A 39 47.226 2.980 4.026 1.00 0.00 H ATOM 588 HB3 ARG A 39 47.829 4.653 4.074 1.00 0.00 H ATOM 589 HG2 ARG A 39 45.951 5.372 5.302 1.00 0.00 H ATOM 590 HG3 ARG A 39 45.129 3.811 5.070 1.00 0.00 H ATOM 591 HD2 ARG A 39 46.477 4.337 7.091 1.00 0.00 H ATOM 592 HD3 ARG A 39 47.846 4.008 6.003 1.00 0.00 H ATOM 593 HE ARG A 39 47.364 1.775 6.040 1.00 0.00 H ATOM 594 HH12 ARG A 39 44.729 1.871 9.086 1.00 0.00 H ATOM 595 HH11 ARG A 39 44.707 3.268 7.949 1.00 0.00 H ATOM 596 HH22 ARG A 39 46.272 0.138 8.691 1.00 0.00 H ATOM 597 HH21 ARG A 39 47.413 0.280 7.305 1.00 0.00 H ATOM 598 H ARG A 39 44.799 5.889 2.880 1.00 0.00 H ATOM 599 N CYS A 40 45.341 2.061 2.659 1.00 29.09 N ATOM 600 CA CYS A 40 44.268 1.070 2.572 1.00 28.06 C ATOM 601 C CYS A 40 43.761 0.764 3.957 1.00 27.08 C ATOM 602 O CYS A 40 44.424 0.059 4.715 1.00 27.44 O ATOM 603 CB CYS A 40 44.755 -0.250 1.965 1.00 27.93 C ATOM 604 SG CYS A 40 45.464 -0.156 0.325 1.00 27.92 S ATOM 605 HA CYS A 40 43.489 1.492 1.937 1.00 0.00 H ATOM 606 HB2 CYS A 40 43.904 -0.929 1.920 1.00 0.00 H ATOM 607 HB3 CYS A 40 45.513 -0.662 2.631 1.00 0.00 H ATOM 608 H CYS A 40 46.324 1.741 2.771 1.00 0.00 H ATOM 609 N LYS A 41 42.587 1.288 4.311 1.00 26.00 N ATOM 610 CA LYS A 41 42.038 0.956 5.606 1.00 24.96 C ATOM 611 C LYS A 41 41.876 -0.560 5.567 1.00 23.84 C ATOM 612 O LYS A 41 41.136 -1.072 4.729 1.00 24.26 O ATOM 613 CB LYS A 41 40.705 1.655 5.844 1.00 24.57 C ATOM 614 CG LYS A 41 40.192 1.414 7.244 1.00 23.91 C ATOM 615 CD LYS A 41 38.977 2.238 7.578 1.00 22.73 C ATOM 616 CE LYS A 41 38.557 1.947 8.998 1.00 22.70 C ATOM 617 NZ LYS A 41 37.350 2.683 9.416 1.00 21.17 N ATOM 618 HA LYS A 41 42.680 1.283 6.424 1.00 0.00 H ATOM 619 HB2 LYS A 41 40.836 2.727 5.695 1.00 0.00 H ATOM 620 HB3 LYS A 41 39.974 1.276 5.129 1.00 0.00 H ATOM 621 HG2 LYS A 41 39.934 0.360 7.343 1.00 0.00 H ATOM 622 HG3 LYS A 41 40.984 1.661 7.951 1.00 0.00 H ATOM 623 HD2 LYS A 41 39.215 3.297 7.477 1.00 0.00 H ATOM 624 HD3 LYS A 41 38.165 1.983 6.897 1.00 0.00 H ATOM 625 HE2 LYS A 41 39.376 2.220 9.663 1.00 0.00 H ATOM 626 HE3 LYS A 41 38.359 0.879 9.088 1.00 0.00 H ATOM 627 HZ1 LYS A 41 37.527 3.705 9.346 1.00 0.00 H ATOM 628 HZ2 LYS A 41 36.556 2.424 8.796 1.00 0.00 H ATOM 629 HZ3 LYS A 41 37.118 2.437 10.399 1.00 0.00 H ATOM 630 H LYS A 41 42.076 1.924 3.667 1.00 0.00 H ATOM 631 N PRO A 42 42.591 -1.280 6.420 1.00 23.80 N ATOM 632 CA PRO A 42 42.563 -2.746 6.425 1.00 23.05 C ATOM 633 C PRO A 42 41.160 -3.381 6.415 1.00 21.72 C ATOM 634 O PRO A 42 40.864 -4.243 5.576 1.00 22.70 O ATOM 635 CB PRO A 42 43.310 -3.081 7.721 1.00 23.24 C ATOM 636 CG PRO A 42 44.300 -2.005 7.825 1.00 24.51 C ATOM 637 CD PRO A 42 43.551 -0.762 7.416 1.00 24.14 C ATOM 638 HA PRO A 42 43.004 -3.149 5.513 1.00 0.00 H ATOM 639 HD3 PRO A 42 43.035 -0.315 8.266 1.00 0.00 H ATOM 640 HD2 PRO A 42 44.221 -0.026 6.972 1.00 0.00 H ATOM 641 HG3 PRO A 42 45.140 -2.187 7.154 1.00 0.00 H ATOM 642 HG2 PRO A 42 44.666 -1.916 8.848 1.00 0.00 H ATOM 643 HB2 PRO A 42 42.633 -3.074 8.576 1.00 0.00 H ATOM 644 HB3 PRO A 42 43.796 -4.054 7.652 1.00 0.00 H ATOM 645 N VAL A 43 40.321 -2.970 7.359 1.00 20.49 N ATOM 646 CA VAL A 43 38.980 -3.516 7.451 1.00 19.15 C ATOM 647 C VAL A 43 37.978 -2.417 7.772 1.00 17.21 C ATOM 648 O VAL A 43 38.291 -1.435 8.452 1.00 18.11 O ATOM 649 CB VAL A 43 38.887 -4.609 8.523 1.00 20.68 C ATOM 650 CG1 VAL A 43 39.829 -5.753 8.218 1.00 21.81 C ATOM 651 CG2 VAL A 43 39.180 -4.068 9.873 1.00 22.06 C ATOM 652 HA VAL A 43 38.745 -3.958 6.483 1.00 0.00 H ATOM 653 HB VAL A 43 37.863 -4.982 8.512 1.00 0.00 H ATOM 654 HG11 VAL A 43 39.570 -6.188 7.253 1.00 0.00 H ATOM 655 HG12 VAL A 43 40.853 -5.380 8.187 1.00 0.00 H ATOM 656 HG13 VAL A 43 39.740 -6.512 8.995 1.00 0.00 H ATOM 657 HG21 VAL A 43 40.188 -3.654 9.886 1.00 0.00 H ATOM 658 HG22 VAL A 43 38.461 -3.285 10.113 1.00 0.00 H ATOM 659 HG23 VAL A 43 39.105 -4.869 10.608 1.00 0.00 H ATOM 660 H VAL A 43 40.629 -2.248 8.041 1.00 0.00 H ATOM 661 N ASN A 44 36.752 -2.586 7.291 1.00 15.00 N ATOM 662 CA ASN A 44 35.725 -1.597 7.540 1.00 14.35 C ATOM 663 C ASN A 44 34.356 -2.189 7.307 1.00 14.32 C ATOM 664 O ASN A 44 34.193 -2.936 6.363 1.00 16.94 O ATOM 665 CB ASN A 44 35.899 -0.399 6.603 1.00 13.82 C ATOM 666 CG ASN A 44 35.008 0.761 6.965 1.00 13.89 C ATOM 667 OD1 ASN A 44 35.236 1.413 7.973 1.00 16.19 O ATOM 668 ND2 ASN A 44 34.009 1.045 6.121 1.00 12.76 N ATOM 669 HA ASN A 44 35.817 -1.273 8.577 1.00 0.00 H ATOM 670 HB2 ASN A 44 36.937 -0.069 6.649 1.00 0.00 H ATOM 671 HB3 ASN A 44 35.664 -0.715 5.587 1.00 0.00 H ATOM 672 HD22 ASN A 44 33.859 0.457 5.276 1.00 0.00 H ATOM 673 HD21 ASN A 44 33.383 1.854 6.310 1.00 0.00 H ATOM 674 H ASN A 44 36.528 -3.434 6.732 1.00 0.00 H ATOM 675 N THR A 45 33.376 -1.806 8.117 1.00 12.17 N ATOM 676 CA THR A 45 32.008 -2.314 7.986 1.00 12.04 C ATOM 677 C THR A 45 31.043 -1.222 7.647 1.00 11.10 C ATOM 678 O THR A 45 31.104 -0.123 8.188 1.00 11.43 O ATOM 679 CB THR A 45 31.590 -2.961 9.296 1.00 13.31 C ATOM 680 OG1 THR A 45 32.497 -4.026 9.571 1.00 15.90 O ATOM 681 CG2 THR A 45 30.200 -3.572 9.201 1.00 13.69 C ATOM 682 HA THR A 45 31.993 -3.042 7.175 1.00 0.00 H ATOM 683 HB THR A 45 31.593 -2.195 10.071 1.00 0.00 H ATOM 684 HG1 THR A 45 33.416 -3.665 9.646 1.00 0.00 H ATOM 685 HG23 THR A 45 29.473 -2.787 8.991 1.00 0.00 H ATOM 686 HG21 THR A 45 30.183 -4.310 8.399 1.00 0.00 H ATOM 687 HG22 THR A 45 29.952 -4.055 10.146 1.00 0.00 H ATOM 688 H THR A 45 33.587 -1.121 8.871 1.00 0.00 H ATOM 689 N PHE A 46 30.130 -1.548 6.735 1.00 11.13 N ATOM 690 CA PHE A 46 29.029 -0.663 6.376 1.00 11.58 C ATOM 691 C PHE A 46 27.705 -1.228 6.889 1.00 12.20 C ATOM 692 O PHE A 46 27.486 -2.422 6.776 1.00 13.32 O ATOM 693 CB PHE A 46 28.943 -0.463 4.847 1.00 12.24 C ATOM 694 CG PHE A 46 30.093 0.335 4.271 1.00 13.92 C ATOM 695 CD1 PHE A 46 30.106 1.699 4.370 1.00 15.63 C ATOM 696 CD2 PHE A 46 31.191 -0.291 3.694 1.00 13.29 C ATOM 697 CE1 PHE A 46 31.163 2.434 3.878 1.00 15.17 C ATOM 698 CE2 PHE A 46 32.258 0.449 3.171 1.00 14.74 C ATOM 699 CZ PHE A 46 32.242 1.812 3.274 1.00 14.93 C ATOM 700 HA PHE A 46 29.219 0.304 6.842 1.00 0.00 H ATOM 701 HB2 PHE A 46 28.932 -1.444 4.372 1.00 0.00 H ATOM 702 HB3 PHE A 46 28.014 0.059 4.620 1.00 0.00 H ATOM 703 HD2 PHE A 46 31.222 -1.380 3.648 1.00 0.00 H ATOM 704 HE2 PHE A 46 33.093 -0.057 2.686 1.00 0.00 H ATOM 705 HZ PHE A 46 33.071 2.403 2.884 1.00 0.00 H ATOM 706 HE1 PHE A 46 31.149 3.520 3.966 1.00 0.00 H ATOM 707 HD1 PHE A 46 29.269 2.212 4.844 1.00 0.00 H ATOM 708 H PHE A 46 30.205 -2.470 6.260 1.00 0.00 H ATOM 709 N VAL A 47 26.850 -0.362 7.421 1.00 11.94 N ATOM 710 CA VAL A 47 25.551 -0.755 7.982 1.00 12.65 C ATOM 711 C VAL A 47 24.400 -0.242 7.069 1.00 12.74 C ATOM 712 O VAL A 47 24.327 0.918 6.771 1.00 14.85 O ATOM 713 CB VAL A 47 25.385 -0.263 9.446 1.00 12.63 C ATOM 714 CG1 VAL A 47 24.089 -0.810 10.068 1.00 12.97 C ATOM 715 CG2 VAL A 47 26.572 -0.670 10.316 1.00 12.86 C ATOM 716 HA VAL A 47 25.506 -1.844 8.013 1.00 0.00 H ATOM 717 HB VAL A 47 25.337 0.825 9.409 1.00 0.00 H ATOM 718 HG11 VAL A 47 23.235 -0.467 9.484 1.00 0.00 H ATOM 719 HG12 VAL A 47 24.118 -1.900 10.066 1.00 0.00 H ATOM 720 HG13 VAL A 47 23.999 -0.450 11.093 1.00 0.00 H ATOM 721 HG21 VAL A 47 26.658 -1.757 10.326 1.00 0.00 H ATOM 722 HG22 VAL A 47 27.485 -0.236 9.909 1.00 0.00 H ATOM 723 HG23 VAL A 47 26.417 -0.307 11.332 1.00 0.00 H ATOM 724 H VAL A 47 27.113 0.644 7.441 1.00 0.00 H ATOM 725 N HIS A 48 23.493 -1.148 6.743 1.00 14.26 N ATOM 726 CA HIS A 48 22.386 -0.841 5.837 1.00 15.80 C ATOM 727 C HIS A 48 21.124 -0.903 6.652 1.00 16.68 C ATOM 728 O HIS A 48 20.368 -1.893 6.567 1.00 19.52 O ATOM 729 CB HIS A 48 22.250 -1.933 4.807 1.00 16.30 C ATOM 730 CG HIS A 48 23.520 -2.253 4.106 1.00 15.96 C ATOM 731 ND1 HIS A 48 24.231 -1.321 3.374 1.00 15.27 N ATOM 732 CD2 HIS A 48 24.215 -3.410 4.042 1.00 14.74 C ATOM 733 CE1 HIS A 48 25.313 -1.908 2.882 1.00 16.18 C ATOM 734 NE2 HIS A 48 25.326 -3.175 3.268 1.00 16.66 N ATOM 735 HA HIS A 48 22.557 0.126 5.363 1.00 0.00 H ATOM 736 HB2 HIS A 48 21.895 -2.835 5.306 1.00 0.00 H ATOM 737 HB3 HIS A 48 21.517 -1.617 4.065 1.00 0.00 H ATOM 738 HD2 HIS A 48 23.945 -4.354 4.516 1.00 0.00 H ATOM 739 HE1 HIS A 48 26.069 -1.427 2.261 1.00 0.00 H ATOM 740 H HIS A 48 23.569 -2.105 7.142 1.00 0.00 H ATOM 741 N GLU A 49 21.065 -0.112 7.676 1.00 15.78 N ATOM 742 CA GLU A 49 19.844 0.175 8.400 1.00 15.37 C ATOM 743 C GLU A 49 19.684 1.671 8.423 1.00 15.70 C ATOM 744 O GLU A 49 20.596 2.389 7.997 1.00 15.61 O ATOM 745 CB GLU A 49 19.927 -0.376 9.833 1.00 14.64 C ATOM 746 CG GLU A 49 20.155 -1.862 9.913 1.00 16.17 C ATOM 747 CD GLU A 49 18.996 -2.720 9.411 1.00 16.48 C ATOM 748 OE1 GLU A 49 17.857 -2.237 9.275 1.00 19.22 O ATOM 749 OE2 GLU A 49 19.261 -3.895 9.170 1.00 16.94 O ATOM 750 HA GLU A 49 18.989 -0.298 7.916 1.00 0.00 H ATOM 751 HB2 GLU A 49 20.750 0.124 10.344 1.00 0.00 H ATOM 752 HB3 GLU A 49 18.991 -0.146 10.342 1.00 0.00 H ATOM 753 HG2 GLU A 49 21.036 -2.102 9.318 1.00 0.00 H ATOM 754 HG3 GLU A 49 20.341 -2.120 10.956 1.00 0.00 H ATOM 755 H GLU A 49 21.944 0.343 7.996 1.00 0.00 H ATOM 756 N SER A 50 18.518 2.154 8.857 1.00 15.86 N ATOM 757 CA SER A 50 18.295 3.556 8.930 1.00 16.68 C ATOM 758 C SER A 50 19.236 4.177 9.946 1.00 16.29 C ATOM 759 O SER A 50 19.714 3.514 10.893 1.00 15.93 O ATOM 760 CB SER A 50 16.849 3.834 9.317 1.00 16.37 C ATOM 761 OG SER A 50 16.687 3.631 10.715 1.00 17.62 O ATOM 762 HA SER A 50 18.489 3.998 7.953 1.00 0.00 H ATOM 763 HB2 SER A 50 16.190 3.158 8.772 1.00 0.00 H ATOM 764 HB3 SER A 50 16.597 4.865 9.067 1.00 0.00 H ATOM 765 HG SER A 50 15.747 3.812 10.967 1.00 0.00 H ATOM 766 H SER A 50 17.764 1.498 9.145 1.00 0.00 H ATOM 767 N LEU A 51 19.517 5.452 9.769 1.00 16.85 N ATOM 768 CA LEU A 51 20.362 6.197 10.683 1.00 17.35 C ATOM 769 C LEU A 51 19.767 6.203 12.087 1.00 16.98 C ATOM 770 O LEU A 51 20.486 6.046 13.086 1.00 16.46 O ATOM 771 CB LEU A 51 20.558 7.647 10.231 1.00 18.75 C ATOM 772 CG LEU A 51 21.456 8.502 11.130 1.00 19.43 C ATOM 773 CD1 LEU A 51 22.874 7.929 11.304 1.00 20.39 C ATOM 774 CD2 LEU A 51 21.540 9.910 10.590 1.00 21.37 C ATOM 775 HA LEU A 51 21.330 5.696 10.688 1.00 0.00 H ATOM 776 HB2 LEU A 51 20.998 7.632 9.234 1.00 0.00 H ATOM 777 HB3 LEU A 51 19.577 8.121 10.187 1.00 0.00 H ATOM 778 HG LEU A 51 20.993 8.500 12.117 1.00 0.00 H ATOM 779 HD21 LEU A 51 21.958 9.887 9.583 1.00 0.00 H ATOM 780 HD22 LEU A 51 20.542 10.347 10.561 1.00 0.00 H ATOM 781 HD23 LEU A 51 22.181 10.508 11.237 1.00 0.00 H ATOM 782 HD11 LEU A 51 22.811 6.937 11.752 1.00 0.00 H ATOM 783 HD12 LEU A 51 23.358 7.859 10.330 1.00 0.00 H ATOM 784 HD13 LEU A 51 23.453 8.586 11.952 1.00 0.00 H ATOM 785 H LEU A 51 19.118 5.943 8.943 1.00 0.00 H ATOM 786 N ALA A 52 18.452 6.357 12.190 1.00 16.43 N ATOM 787 CA ALA A 52 17.815 6.410 13.503 1.00 16.32 C ATOM 788 C ALA A 52 18.029 5.096 14.237 1.00 16.17 C ATOM 789 O ALA A 52 18.275 5.078 15.445 1.00 16.17 O ATOM 790 CB ALA A 52 16.321 6.719 13.374 1.00 16.67 C ATOM 791 HA ALA A 52 18.274 7.214 14.079 1.00 0.00 H ATOM 792 HB1 ALA A 52 16.192 7.683 12.882 1.00 0.00 H ATOM 793 HB2 ALA A 52 15.840 5.940 12.782 1.00 0.00 H ATOM 794 HB3 ALA A 52 15.871 6.753 14.366 1.00 0.00 H ATOM 795 H ALA A 52 17.872 6.440 11.331 1.00 0.00 H ATOM 796 N ASP A 53 17.905 3.988 13.525 1.00 14.57 N ATOM 797 CA ASP A 53 18.090 2.668 14.108 1.00 15.48 C ATOM 798 C ASP A 53 19.521 2.477 14.599 1.00 13.87 C ATOM 799 O ASP A 53 19.734 1.876 15.664 1.00 15.42 O ATOM 800 CB ASP A 53 17.765 1.562 13.112 1.00 15.90 C ATOM 801 CG ASP A 53 16.292 1.303 13.003 1.00 18.33 C ATOM 802 OD1 ASP A 53 15.500 2.027 13.669 1.00 22.54 O ATOM 803 OD2 ASP A 53 15.854 0.346 12.328 1.00 19.66 O ATOM 804 HA ASP A 53 17.402 2.603 14.951 1.00 0.00 H ATOM 805 HB2 ASP A 53 18.143 1.852 12.132 1.00 0.00 H ATOM 806 HB3 ASP A 53 18.259 0.645 13.434 1.00 0.00 H ATOM 807 H ASP A 53 17.667 4.063 12.515 1.00 0.00 H ATOM 808 N VAL A 54 20.523 2.943 13.857 1.00 13.18 N ATOM 809 CA VAL A 54 21.909 2.788 14.314 1.00 12.92 C ATOM 810 C VAL A 54 22.165 3.723 15.485 1.00 12.92 C ATOM 811 O VAL A 54 22.794 3.312 16.471 1.00 12.46 O ATOM 812 CB VAL A 54 22.898 3.019 13.144 1.00 13.30 C ATOM 813 CG1 VAL A 54 24.337 2.942 13.622 1.00 13.29 C ATOM 814 CG2 VAL A 54 22.642 1.990 12.078 1.00 15.52 C ATOM 815 HA VAL A 54 22.070 1.768 14.662 1.00 0.00 H ATOM 816 HB VAL A 54 22.741 4.018 12.736 1.00 0.00 H ATOM 817 HG11 VAL A 54 24.508 3.706 14.380 1.00 0.00 H ATOM 818 HG12 VAL A 54 24.525 1.957 14.049 1.00 0.00 H ATOM 819 HG13 VAL A 54 25.008 3.108 12.779 1.00 0.00 H ATOM 820 HG21 VAL A 54 22.789 0.993 12.494 1.00 0.00 H ATOM 821 HG22 VAL A 54 21.617 2.087 11.719 1.00 0.00 H ATOM 822 HG23 VAL A 54 23.334 2.146 11.251 1.00 0.00 H ATOM 823 H VAL A 54 20.324 3.417 12.953 1.00 0.00 H ATOM 824 N GLN A 55 21.652 4.948 15.447 1.00 13.53 N ATOM 825 CA GLN A 55 21.814 5.872 16.556 1.00 13.75 C ATOM 826 C GLN A 55 21.166 5.339 17.841 1.00 13.15 C ATOM 827 O GLN A 55 21.687 5.561 18.948 1.00 13.76 O ATOM 828 CB GLN A 55 21.208 7.235 16.217 1.00 13.82 C ATOM 829 CG GLN A 55 22.009 7.998 15.185 1.00 14.38 C ATOM 830 CD GLN A 55 21.345 9.271 14.703 1.00 14.81 C ATOM 831 OE1 GLN A 55 22.031 10.209 14.300 1.00 17.58 O ATOM 832 NE2 GLN A 55 20.032 9.289 14.701 1.00 14.83 N ATOM 833 HA GLN A 55 22.885 5.978 16.726 1.00 0.00 H ATOM 834 HB2 GLN A 55 20.200 7.081 15.831 1.00 0.00 H ATOM 835 HB3 GLN A 55 21.159 7.830 17.129 1.00 0.00 H ATOM 836 HG2 GLN A 55 22.972 8.259 15.624 1.00 0.00 H ATOM 837 HG3 GLN A 55 22.167 7.347 14.325 1.00 0.00 H ATOM 838 HE22 GLN A 55 19.500 8.468 15.054 1.00 0.00 H ATOM 839 HE21 GLN A 55 19.524 10.125 14.347 1.00 0.00 H ATOM 840 H GLN A 55 21.123 5.252 14.605 1.00 0.00 H ATOM 841 N ALA A 56 20.103 4.568 17.678 1.00 12.66 N ATOM 842 CA ALA A 56 19.372 4.026 18.809 1.00 13.01 C ATOM 843 C ALA A 56 20.233 3.021 19.569 1.00 12.35 C ATOM 844 O ALA A 56 19.985 2.774 20.761 1.00 12.85 O ATOM 845 CB ALA A 56 18.103 3.377 18.351 1.00 13.80 C ATOM 846 HA ALA A 56 19.120 4.847 19.480 1.00 0.00 H ATOM 847 HB1 ALA A 56 17.480 4.116 17.847 1.00 0.00 H ATOM 848 HB2 ALA A 56 18.339 2.567 17.660 1.00 0.00 H ATOM 849 HB3 ALA A 56 17.569 2.977 19.213 1.00 0.00 H ATOM 850 H ALA A 56 19.783 4.344 16.714 1.00 0.00 H ATOM 851 N VAL A 57 21.232 2.423 18.922 1.00 11.72 N ATOM 852 CA VAL A 57 22.090 1.448 19.584 1.00 11.17 C ATOM 853 C VAL A 57 22.805 2.046 20.787 1.00 10.24 C ATOM 854 O VAL A 57 23.119 1.330 21.764 1.00 11.24 O ATOM 855 CB VAL A 57 23.041 0.776 18.560 1.00 11.28 C ATOM 856 CG1 VAL A 57 23.997 -0.198 19.254 1.00 10.81 C ATOM 857 CG2 VAL A 57 22.224 0.061 17.484 1.00 12.44 C ATOM 858 HA VAL A 57 21.465 0.654 19.993 1.00 0.00 H ATOM 859 HB VAL A 57 23.645 1.550 18.087 1.00 0.00 H ATOM 860 HG11 VAL A 57 24.597 0.343 19.986 1.00 0.00 H ATOM 861 HG12 VAL A 57 23.421 -0.974 19.758 1.00 0.00 H ATOM 862 HG13 VAL A 57 24.652 -0.654 18.511 1.00 0.00 H ATOM 863 HG21 VAL A 57 21.600 -0.701 17.950 1.00 0.00 H ATOM 864 HG22 VAL A 57 21.592 0.784 16.968 1.00 0.00 H ATOM 865 HG23 VAL A 57 22.899 -0.408 16.769 1.00 0.00 H ATOM 866 H VAL A 57 21.404 2.657 17.923 1.00 0.00 H ATOM 867 N CYS A 58 23.040 3.334 20.805 1.00 11.10 N ATOM 868 CA CYS A 58 23.708 3.977 21.928 1.00 11.46 C ATOM 869 C CYS A 58 22.893 3.879 23.230 1.00 11.13 C ATOM 870 O CYS A 58 23.434 4.177 24.270 1.00 12.19 O ATOM 871 CB CYS A 58 23.994 5.453 21.609 1.00 10.93 C ATOM 872 SG CYS A 58 25.162 5.715 20.261 1.00 12.37 S ATOM 873 HA CYS A 58 24.646 3.445 22.083 1.00 0.00 H ATOM 874 HB2 CYS A 58 24.398 5.923 22.506 1.00 0.00 H ATOM 875 HB3 CYS A 58 23.052 5.932 21.342 1.00 0.00 H ATOM 876 H CYS A 58 22.741 3.914 19.995 1.00 0.00 H ATOM 877 N SER A 59 21.622 3.455 23.163 1.00 11.54 N ATOM 878 CA SER A 59 20.761 3.283 24.322 1.00 12.17 C ATOM 879 C SER A 59 20.480 1.827 24.574 1.00 12.45 C ATOM 880 O SER A 59 19.623 1.517 25.418 1.00 13.88 O ATOM 881 CB SER A 59 19.408 3.953 24.054 1.00 13.97 C ATOM 882 OG SER A 59 18.601 3.184 23.135 1.00 16.30 O ATOM 883 HA SER A 59 21.270 3.723 25.180 1.00 0.00 H ATOM 884 HB2 SER A 59 19.582 4.942 23.629 1.00 0.00 H ATOM 885 HB3 SER A 59 18.871 4.053 24.997 1.00 0.00 H ATOM 886 HG SER A 59 19.080 3.094 22.273 1.00 0.00 H ATOM 887 H SER A 59 21.229 3.236 22.225 1.00 0.00 H ATOM 888 N GLN A 60 21.167 0.923 23.885 1.00 11.82 N ATOM 889 CA GLN A 60 20.963 -0.512 23.963 1.00 11.44 C ATOM 890 C GLN A 60 21.965 -1.219 24.890 1.00 10.93 C ATOM 891 O GLN A 60 22.246 -0.677 25.934 1.00 12.90 O ATOM 892 CB GLN A 60 20.828 -1.087 22.541 1.00 10.87 C ATOM 893 CG GLN A 60 19.563 -0.505 21.850 1.00 12.18 C ATOM 894 CD GLN A 60 19.332 -0.891 20.420 1.00 13.62 C ATOM 895 OE1 GLN A 60 19.747 -1.938 19.983 1.00 11.77 O ATOM 896 NE2 GLN A 60 18.556 -0.069 19.708 1.00 14.99 N ATOM 897 HA GLN A 60 20.018 -0.720 24.465 1.00 0.00 H ATOM 898 HB2 GLN A 60 21.711 -0.823 21.959 1.00 0.00 H ATOM 899 HB3 GLN A 60 20.742 -2.172 22.597 1.00 0.00 H ATOM 900 HG2 GLN A 60 18.695 -0.831 22.423 1.00 0.00 H ATOM 901 HG3 GLN A 60 19.636 0.582 21.890 1.00 0.00 H ATOM 902 HE22 GLN A 60 18.222 0.823 20.126 1.00 0.00 H ATOM 903 HE21 GLN A 60 18.286 -0.321 18.736 1.00 0.00 H ATOM 904 H GLN A 60 21.907 1.269 23.241 1.00 0.00 H ATOM 905 N LYS A 61 22.432 -2.404 24.558 1.00 10.49 N ATOM 906 CA LYS A 61 23.189 -3.206 25.534 1.00 10.98 C ATOM 907 C LYS A 61 24.625 -2.716 25.725 1.00 9.56 C ATOM 908 O LYS A 61 25.466 -2.851 24.841 1.00 9.68 O ATOM 909 CB LYS A 61 23.217 -4.678 25.143 1.00 11.76 C ATOM 910 CG LYS A 61 23.861 -5.546 26.255 1.00 14.33 C ATOM 911 CD LYS A 61 23.832 -7.026 25.945 1.00 18.08 C ATOM 912 CE LYS A 61 24.590 -7.838 27.002 1.00 21.49 C ATOM 913 NZ LYS A 61 24.600 -9.304 26.734 1.00 24.69 N ATOM 914 HA LYS A 61 22.661 -3.085 26.480 1.00 0.00 H ATOM 915 HB2 LYS A 61 22.196 -5.020 24.973 1.00 0.00 H ATOM 916 HB3 LYS A 61 23.794 -4.791 24.225 1.00 0.00 H ATOM 917 HG2 LYS A 61 24.899 -5.238 26.379 1.00 0.00 H ATOM 918 HG3 LYS A 61 23.320 -5.376 27.186 1.00 0.00 H ATOM 919 HD2 LYS A 61 22.795 -7.362 25.917 1.00 0.00 H ATOM 920 HD3 LYS A 61 24.293 -7.193 24.972 1.00 0.00 H ATOM 921 HE2 LYS A 61 24.120 -7.668 27.970 1.00 0.00 H ATOM 922 HE3 LYS A 61 25.621 -7.486 27.033 1.00 0.00 H ATOM 923 HZ1 LYS A 61 23.622 -9.658 26.712 1.00 0.00 H ATOM 924 HZ2 LYS A 61 25.056 -9.484 25.817 1.00 0.00 H ATOM 925 HZ3 LYS A 61 25.129 -9.789 27.487 1.00 0.00 H ATOM 926 H LYS A 61 22.265 -2.776 23.601 1.00 0.00 H ATOM 927 N ASN A 62 24.941 -2.175 26.900 1.00 9.80 N ATOM 928 CA ASN A 62 26.301 -1.681 27.169 1.00 9.45 C ATOM 929 C ASN A 62 27.251 -2.867 27.314 1.00 9.22 C ATOM 930 O ASN A 62 26.997 -3.775 28.118 1.00 10.62 O ATOM 931 CB ASN A 62 26.264 -0.816 28.439 1.00 10.90 C ATOM 932 CG ASN A 62 27.550 -0.043 28.750 1.00 11.66 C ATOM 933 OD1 ASN A 62 27.753 0.295 29.930 1.00 14.34 O ATOM 934 ND2 ASN A 62 28.384 0.275 27.784 1.00 10.64 N ATOM 935 HA ASN A 62 26.665 -1.067 26.345 1.00 0.00 H ATOM 936 HB2 ASN A 62 25.456 -0.093 28.329 1.00 0.00 H ATOM 937 HB3 ASN A 62 26.052 -1.470 29.285 1.00 0.00 H ATOM 938 HD22 ASN A 62 28.186 -0.022 26.807 1.00 0.00 H ATOM 939 HD21 ASN A 62 29.241 0.824 27.997 1.00 0.00 H ATOM 940 H ASN A 62 24.214 -2.100 27.640 1.00 0.00 H ATOM 941 N VAL A 63 28.330 -2.879 26.539 1.00 8.32 N ATOM 942 CA VAL A 63 29.350 -3.898 26.568 1.00 8.87 C ATOM 943 C VAL A 63 30.724 -3.221 26.537 1.00 8.43 C ATOM 944 O VAL A 63 30.880 -2.090 26.069 1.00 9.34 O ATOM 945 CB VAL A 63 29.216 -4.877 25.354 1.00 9.26 C ATOM 946 CG1 VAL A 63 27.892 -5.609 25.394 1.00 10.84 C ATOM 947 CG2 VAL A 63 29.390 -4.159 24.009 1.00 9.97 C ATOM 948 HA VAL A 63 29.234 -4.483 27.480 1.00 0.00 H ATOM 949 HB VAL A 63 30.023 -5.605 25.443 1.00 0.00 H ATOM 950 HG11 VAL A 63 27.824 -6.184 26.318 1.00 0.00 H ATOM 951 HG12 VAL A 63 27.077 -4.886 25.354 1.00 0.00 H ATOM 952 HG13 VAL A 63 27.825 -6.282 24.540 1.00 0.00 H ATOM 953 HG21 VAL A 63 28.626 -3.388 23.909 1.00 0.00 H ATOM 954 HG22 VAL A 63 30.378 -3.701 23.968 1.00 0.00 H ATOM 955 HG23 VAL A 63 29.288 -4.880 23.198 1.00 0.00 H ATOM 956 H VAL A 63 28.447 -2.097 25.863 1.00 0.00 H ATOM 957 N ALA A 64 31.745 -3.937 26.978 1.00 8.40 N ATOM 958 CA ALA A 64 33.101 -3.422 26.880 1.00 8.22 C ATOM 959 C ALA A 64 33.559 -3.305 25.439 1.00 8.96 C ATOM 960 O ALA A 64 33.285 -4.185 24.632 1.00 9.23 O ATOM 961 CB ALA A 64 34.050 -4.324 27.655 1.00 9.11 C ATOM 962 HA ALA A 64 33.109 -2.420 27.310 1.00 0.00 H ATOM 963 HB1 ALA A 64 33.749 -4.352 28.702 1.00 0.00 H ATOM 964 HB2 ALA A 64 34.014 -5.330 27.238 1.00 0.00 H ATOM 965 HB3 ALA A 64 35.065 -3.933 27.578 1.00 0.00 H ATOM 966 H ALA A 64 31.577 -4.874 27.397 1.00 0.00 H ATOM 967 N CYS A 65 34.292 -2.241 25.144 1.00 8.69 N ATOM 968 CA CYS A 65 34.908 -2.039 23.848 1.00 8.36 C ATOM 969 C CYS A 65 36.164 -2.889 23.790 1.00 8.42 C ATOM 970 O CYS A 65 36.813 -3.152 24.803 1.00 8.55 O ATOM 971 CB CYS A 65 35.316 -0.566 23.681 1.00 8.32 C ATOM 972 SG CYS A 65 34.019 0.638 23.771 1.00 9.77 S ATOM 973 HA CYS A 65 34.205 -2.311 23.061 1.00 0.00 H ATOM 974 HB2 CYS A 65 35.794 -0.464 22.706 1.00 0.00 H ATOM 975 HB3 CYS A 65 36.038 -0.333 24.464 1.00 0.00 H ATOM 976 H CYS A 65 34.432 -1.517 25.877 1.00 0.00 H ATOM 977 N LYS A 66 36.566 -3.257 22.583 1.00 9.00 N ATOM 978 CA LYS A 66 37.801 -4.017 22.427 1.00 10.26 C ATOM 979 C LYS A 66 38.997 -3.316 23.042 1.00 9.93 C ATOM 980 O LYS A 66 39.886 -3.992 23.552 1.00 10.75 O ATOM 981 CB LYS A 66 38.091 -4.314 20.955 1.00 11.49 C ATOM 982 CG LYS A 66 37.144 -5.324 20.336 1.00 12.44 C ATOM 983 CD LYS A 66 37.490 -5.517 18.848 1.00 17.82 C ATOM 984 CE LYS A 66 36.582 -6.507 18.168 1.00 22.07 C ATOM 985 NZ LYS A 66 36.952 -6.733 16.742 1.00 26.54 N ATOM 986 HA LYS A 66 37.645 -4.954 22.961 1.00 0.00 H ATOM 987 HB2 LYS A 66 38.014 -3.382 20.395 1.00 0.00 H ATOM 988 HB3 LYS A 66 39.107 -4.702 20.876 1.00 0.00 H ATOM 989 HG2 LYS A 66 37.239 -6.277 20.857 1.00 0.00 H ATOM 990 HG3 LYS A 66 36.119 -4.963 20.426 1.00 0.00 H ATOM 991 HD2 LYS A 66 37.402 -4.556 18.341 1.00 0.00 H ATOM 992 HD3 LYS A 66 38.517 -5.874 18.771 1.00 0.00 H ATOM 993 HE2 LYS A 66 35.560 -6.130 18.209 1.00 0.00 H ATOM 994 HE3 LYS A 66 36.639 -7.457 18.699 1.00 0.00 H ATOM 995 HZ1 LYS A 66 36.893 -5.834 16.223 1.00 0.00 H ATOM 996 HZ2 LYS A 66 37.924 -7.101 16.691 1.00 0.00 H ATOM 997 HZ3 LYS A 66 36.297 -7.422 16.320 1.00 0.00 H ATOM 998 H LYS A 66 36.001 -3.004 21.747 1.00 0.00 H ATOM 999 N ASN A 67 39.072 -1.996 23.001 1.00 10.00 N ATOM 1000 CA ASN A 67 40.201 -1.290 23.583 1.00 10.71 C ATOM 1001 C ASN A 67 40.095 -1.128 25.094 1.00 10.58 C ATOM 1002 O ASN A 67 40.965 -0.473 25.676 1.00 13.67 O ATOM 1003 CB ASN A 67 40.373 0.098 22.940 1.00 11.68 C ATOM 1004 CG ASN A 67 39.201 1.028 23.201 1.00 11.70 C ATOM 1005 OD1 ASN A 67 38.331 0.766 24.007 1.00 12.04 O ATOM 1006 ND2 ASN A 67 39.155 2.128 22.428 1.00 14.52 N ATOM 1007 HA ASN A 67 41.073 -1.910 23.377 1.00 0.00 H ATOM 1008 HB2 ASN A 67 41.276 0.557 23.342 1.00 0.00 H ATOM 1009 HB3 ASN A 67 40.481 -0.030 21.863 1.00 0.00 H ATOM 1010 HD22 ASN A 67 39.919 2.319 21.749 1.00 0.00 H ATOM 1011 HD21 ASN A 67 38.355 2.788 22.509 1.00 0.00 H ATOM 1012 H ASN A 67 38.310 -1.454 22.545 1.00 0.00 H ATOM 1013 N GLY A 68 39.058 -1.648 25.738 1.00 10.47 N ATOM 1014 CA GLY A 68 38.948 -1.587 27.176 1.00 10.66 C ATOM 1015 C GLY A 68 38.085 -0.439 27.660 1.00 10.46 C ATOM 1016 O GLY A 68 37.717 -0.409 28.811 1.00 11.11 O ATOM 1017 HA3 GLY A 68 39.947 -1.471 27.596 1.00 0.00 H ATOM 1018 HA2 GLY A 68 38.513 -2.521 27.531 1.00 0.00 H ATOM 1019 H GLY A 68 38.304 -2.112 25.192 1.00 0.00 H ATOM 1020 N GLN A 69 37.753 0.517 26.793 1.00 10.21 N ATOM 1021 CA GLN A 69 36.823 1.581 27.187 1.00 9.92 C ATOM 1022 C GLN A 69 35.457 0.965 27.442 1.00 9.75 C ATOM 1023 O GLN A 69 35.177 -0.166 26.996 1.00 10.82 O ATOM 1024 CB GLN A 69 36.738 2.679 26.132 1.00 11.37 C ATOM 1025 CG GLN A 69 38.059 3.424 25.962 1.00 11.97 C ATOM 1026 CD GLN A 69 38.507 4.118 27.211 1.00 16.22 C ATOM 1027 OE1 GLN A 69 39.307 3.570 27.995 1.00 18.70 O ATOM 1028 NE2 GLN A 69 38.024 5.346 27.411 1.00 18.59 N ATOM 1029 HA GLN A 69 37.191 2.053 28.098 1.00 0.00 H ATOM 1030 HB2 GLN A 69 36.464 2.228 25.178 1.00 0.00 H ATOM 1031 HB3 GLN A 69 35.969 3.392 26.429 1.00 0.00 H ATOM 1032 HG2 GLN A 69 38.826 2.708 25.669 1.00 0.00 H ATOM 1033 HG3 GLN A 69 37.939 4.169 25.175 1.00 0.00 H ATOM 1034 HE22 GLN A 69 37.358 5.761 26.728 1.00 0.00 H ATOM 1035 HE21 GLN A 69 38.313 5.888 28.250 1.00 0.00 H ATOM 1036 H GLN A 69 38.155 0.509 25.834 1.00 0.00 H ATOM 1037 N THR A 70 34.588 1.696 28.135 1.00 9.79 N ATOM 1038 CA THR A 70 33.320 1.186 28.579 1.00 10.44 C ATOM 1039 C THR A 70 32.132 1.682 27.771 1.00 10.39 C ATOM 1040 O THR A 70 31.005 1.320 28.072 1.00 13.00 O ATOM 1041 CB THR A 70 33.104 1.560 30.067 1.00 12.09 C ATOM 1042 OG1 THR A 70 33.060 2.998 30.205 1.00 13.81 O ATOM 1043 CG2 THR A 70 34.245 1.032 30.962 1.00 14.13 C ATOM 1044 HA THR A 70 33.365 0.106 28.439 1.00 0.00 H ATOM 1045 HB THR A 70 32.165 1.105 30.382 1.00 0.00 H ATOM 1046 HG1 THR A 70 32.313 3.358 29.663 1.00 0.00 H ATOM 1047 HG23 THR A 70 34.300 -0.053 30.876 1.00 0.00 H ATOM 1048 HG21 THR A 70 35.190 1.471 30.641 1.00 0.00 H ATOM 1049 HG22 THR A 70 34.049 1.306 31.998 1.00 0.00 H ATOM 1050 H THR A 70 34.837 2.679 28.365 1.00 0.00 H ATOM 1051 N ASN A 71 32.355 2.503 26.743 1.00 10.07 N ATOM 1052 CA ASN A 71 31.272 3.185 26.019 1.00 8.59 C ATOM 1053 C ASN A 71 30.833 2.480 24.748 1.00 8.41 C ATOM 1054 O ASN A 71 30.543 3.137 23.737 1.00 8.83 O ATOM 1055 CB ASN A 71 31.664 4.631 25.714 1.00 9.22 C ATOM 1056 CG ASN A 71 32.894 4.728 24.842 1.00 9.09 C ATOM 1057 OD1 ASN A 71 33.899 4.060 25.089 1.00 11.43 O ATOM 1058 ND2 ASN A 71 32.836 5.591 23.822 1.00 9.54 N ATOM 1059 HA ASN A 71 30.410 3.163 26.686 1.00 0.00 H ATOM 1060 HB2 ASN A 71 30.834 5.118 25.202 1.00 0.00 H ATOM 1061 HB3 ASN A 71 31.861 5.145 26.655 1.00 0.00 H ATOM 1062 HD22 ASN A 71 31.966 6.135 23.650 1.00 0.00 H ATOM 1063 HD21 ASN A 71 33.660 5.718 23.201 1.00 0.00 H ATOM 1064 H ASN A 71 33.336 2.668 26.441 1.00 0.00 H ATOM 1065 N CYS A 72 30.807 1.145 24.762 1.00 7.80 N ATOM 1066 CA CYS A 72 30.324 0.392 23.585 1.00 7.76 C ATOM 1067 C CYS A 72 28.938 -0.200 23.857 1.00 8.25 C ATOM 1068 O CYS A 72 28.559 -0.445 25.005 1.00 9.18 O ATOM 1069 CB CYS A 72 31.346 -0.640 23.124 1.00 7.48 C ATOM 1070 SG CYS A 72 32.728 0.087 22.249 1.00 9.60 S ATOM 1071 HA CYS A 72 30.209 1.082 22.749 1.00 0.00 H ATOM 1072 HB2 CYS A 72 30.849 -1.349 22.462 1.00 0.00 H ATOM 1073 HB3 CYS A 72 31.727 -1.167 23.999 1.00 0.00 H ATOM 1074 H CYS A 72 31.129 0.631 25.607 1.00 0.00 H ATOM 1075 N TYR A 73 28.197 -0.386 22.776 1.00 8.54 N ATOM 1076 CA TYR A 73 26.798 -0.788 22.833 1.00 9.80 C ATOM 1077 C TYR A 73 26.519 -1.771 21.722 1.00 9.06 C ATOM 1078 O TYR A 73 26.874 -1.533 20.570 1.00 9.42 O ATOM 1079 CB TYR A 73 25.859 0.417 22.729 1.00 10.22 C ATOM 1080 CG TYR A 73 26.144 1.399 23.850 1.00 10.50 C ATOM 1081 CD1 TYR A 73 27.121 2.358 23.711 1.00 10.91 C ATOM 1082 CD2 TYR A 73 25.456 1.331 25.072 1.00 11.93 C ATOM 1083 CE1 TYR A 73 27.459 3.195 24.752 1.00 11.93 C ATOM 1084 CE2 TYR A 73 25.775 2.184 26.110 1.00 11.70 C ATOM 1085 CZ TYR A 73 26.785 3.114 25.947 1.00 12.05 C ATOM 1086 OH TYR A 73 27.144 3.985 26.957 1.00 13.24 O ATOM 1087 HA TYR A 73 26.612 -1.259 23.798 1.00 0.00 H ATOM 1088 HB3 TYR A 73 24.826 0.077 22.801 1.00 0.00 H ATOM 1089 HB2 TYR A 73 26.011 0.911 21.769 1.00 0.00 H ATOM 1090 HD2 TYR A 73 24.661 0.597 25.203 1.00 0.00 H ATOM 1091 HE2 TYR A 73 25.233 2.124 27.054 1.00 0.00 H ATOM 1092 HE1 TYR A 73 28.262 3.922 24.628 1.00 0.00 H ATOM 1093 HD1 TYR A 73 27.639 2.458 22.757 1.00 0.00 H ATOM 1094 HH TYR A 73 27.442 3.468 27.747 1.00 0.00 H ATOM 1095 H TYR A 73 28.633 -0.238 21.844 1.00 0.00 H ATOM 1096 N GLN A 74 25.877 -2.869 22.085 1.00 9.27 N ATOM 1097 CA GLN A 74 25.519 -3.924 21.162 1.00 9.88 C ATOM 1098 C GLN A 74 24.025 -3.844 20.826 1.00 10.09 C ATOM 1099 O GLN A 74 23.155 -3.747 21.714 1.00 11.18 O ATOM 1100 CB GLN A 74 25.796 -5.274 21.795 1.00 10.32 C ATOM 1101 CG GLN A 74 25.521 -6.432 20.846 1.00 11.70 C ATOM 1102 CD GLN A 74 26.043 -7.707 21.391 1.00 14.30 C ATOM 1103 OE1 GLN A 74 27.183 -7.765 21.865 1.00 16.89 O ATOM 1104 NE2 GLN A 74 25.227 -8.741 21.343 1.00 17.01 N ATOM 1105 HA GLN A 74 26.110 -3.806 20.254 1.00 0.00 H ATOM 1106 HB2 GLN A 74 26.843 -5.310 22.097 1.00 0.00 H ATOM 1107 HB3 GLN A 74 25.162 -5.385 22.674 1.00 0.00 H ATOM 1108 HG2 GLN A 74 24.445 -6.523 20.697 1.00 0.00 H ATOM 1109 HG3 GLN A 74 26.003 -6.230 19.889 1.00 0.00 H ATOM 1110 HE22 GLN A 74 24.277 -8.635 20.933 1.00 0.00 H ATOM 1111 HE21 GLN A 74 25.533 -9.663 21.716 1.00 0.00 H ATOM 1112 H GLN A 74 25.616 -2.980 23.086 1.00 0.00 H ATOM 1113 N SER A 75 23.694 -3.923 19.546 1.00 10.33 N ATOM 1114 CA SER A 75 22.291 -3.862 19.115 1.00 10.64 C ATOM 1115 C SER A 75 21.526 -5.112 19.557 1.00 11.33 C ATOM 1116 O SER A 75 22.013 -6.204 19.473 1.00 11.46 O ATOM 1117 CB SER A 75 22.188 -3.647 17.607 1.00 11.44 C ATOM 1118 OG SER A 75 22.716 -4.745 16.906 1.00 12.48 O ATOM 1119 HA SER A 75 21.827 -3.004 19.600 1.00 0.00 H ATOM 1120 HB2 SER A 75 22.744 -2.749 17.336 1.00 0.00 H ATOM 1121 HB3 SER A 75 21.140 -3.520 17.335 1.00 0.00 H ATOM 1122 HG SER A 75 22.211 -5.562 17.147 1.00 0.00 H ATOM 1123 H SER A 75 24.442 -4.030 18.832 1.00 0.00 H ATOM 1124 N TYR A 76 20.306 -4.901 20.059 1.00 11.48 N ATOM 1125 CA TYR A 76 19.454 -6.015 20.483 1.00 13.07 C ATOM 1126 C TYR A 76 19.031 -6.818 19.273 1.00 13.86 C ATOM 1127 O TYR A 76 18.982 -8.035 19.321 1.00 15.46 O ATOM 1128 CB TYR A 76 18.222 -5.540 21.245 1.00 12.93 C ATOM 1129 CG TYR A 76 18.569 -4.979 22.588 1.00 11.35 C ATOM 1130 CD1 TYR A 76 19.256 -5.756 23.522 1.00 11.34 C ATOM 1131 CD2 TYR A 76 18.238 -3.695 22.922 1.00 11.49 C ATOM 1132 CE1 TYR A 76 19.584 -5.262 24.772 1.00 10.09 C ATOM 1133 CE2 TYR A 76 18.576 -3.179 24.165 1.00 11.47 C ATOM 1134 CZ TYR A 76 19.260 -3.978 25.078 1.00 10.59 C ATOM 1135 OH TYR A 76 19.587 -3.463 26.309 1.00 11.63 O ATOM 1136 HA TYR A 76 20.037 -6.638 21.162 1.00 0.00 H ATOM 1137 HB3 TYR A 76 17.546 -6.384 21.381 1.00 0.00 H ATOM 1138 HB2 TYR A 76 17.723 -4.767 20.660 1.00 0.00 H ATOM 1139 HD2 TYR A 76 17.704 -3.071 22.205 1.00 0.00 H ATOM 1140 HE2 TYR A 76 18.308 -2.155 24.425 1.00 0.00 H ATOM 1141 HE1 TYR A 76 20.094 -5.893 25.500 1.00 0.00 H ATOM 1142 HD1 TYR A 76 19.541 -6.775 23.261 1.00 0.00 H ATOM 1143 HH TYR A 76 18.760 -3.198 26.785 1.00 0.00 H ATOM 1144 H TYR A 76 19.954 -3.927 20.151 1.00 0.00 H ATOM 1145 N SER A 77 18.735 -6.122 18.176 1.00 14.68 N ATOM 1146 CA SER A 77 18.332 -6.771 16.926 1.00 15.83 C ATOM 1147 C SER A 77 19.513 -6.926 15.992 1.00 15.05 C ATOM 1148 O SER A 77 20.508 -6.182 16.057 1.00 16.39 O ATOM 1149 CB SER A 77 17.269 -5.966 16.211 1.00 17.02 C ATOM 1150 OG SER A 77 16.113 -5.839 17.007 1.00 19.50 O ATOM 1151 HA SER A 77 17.936 -7.751 17.191 1.00 0.00 H ATOM 1152 HB2 SER A 77 17.008 -6.468 15.279 1.00 0.00 H ATOM 1153 HB3 SER A 77 17.661 -4.973 15.990 1.00 0.00 H ATOM 1154 HG SER A 77 15.434 -5.310 16.518 1.00 0.00 H ATOM 1155 H SER A 77 18.792 -5.084 18.208 1.00 0.00 H ATOM 1156 N THR A 78 19.436 -7.909 15.109 1.00 15.53 N ATOM 1157 CA THR A 78 20.475 -8.063 14.091 1.00 16.29 C ATOM 1158 C THR A 78 20.244 -7.013 13.026 1.00 15.47 C ATOM 1159 O THR A 78 19.141 -6.500 12.878 1.00 17.51 O ATOM 1160 CB THR A 78 20.471 -9.436 13.420 1.00 18.04 C ATOM 1161 OG1 THR A 78 19.262 -9.600 12.667 1.00 20.86 O ATOM 1162 CG2 THR A 78 20.501 -10.557 14.425 1.00 19.75 C ATOM 1163 HA THR A 78 21.439 -7.952 14.588 1.00 0.00 H ATOM 1164 HB THR A 78 21.360 -9.479 12.790 1.00 0.00 H ATOM 1165 HG1 THR A 78 19.208 -8.895 11.974 1.00 0.00 H ATOM 1166 HG23 THR A 78 21.406 -10.479 15.028 1.00 0.00 H ATOM 1167 HG21 THR A 78 19.626 -10.488 15.071 1.00 0.00 H ATOM 1168 HG22 THR A 78 20.493 -11.513 13.901 1.00 0.00 H ATOM 1169 H THR A 78 18.636 -8.573 15.139 1.00 0.00 H ATOM 1170 N MET A 79 21.332 -6.660 12.346 1.00 14.81 N ATOM 1171 CA MET A 79 21.299 -5.617 11.340 1.00 14.86 C ATOM 1172 C MET A 79 21.982 -6.087 10.081 1.00 14.82 C ATOM 1173 O MET A 79 22.887 -6.926 10.123 1.00 14.96 O ATOM 1174 CB MET A 79 21.973 -4.333 11.843 1.00 14.55 C ATOM 1175 CG MET A 79 21.208 -3.677 12.944 1.00 14.40 C ATOM 1176 SD MET A 79 21.943 -2.079 13.342 1.00 15.64 S ATOM 1177 CE MET A 79 20.685 -1.440 14.400 1.00 14.88 C ATOM 1178 HA MET A 79 20.253 -5.394 11.127 1.00 0.00 H ATOM 1179 HB2 MET A 79 22.969 -4.582 12.209 1.00 0.00 H ATOM 1180 HB3 MET A 79 22.057 -3.634 11.011 1.00 0.00 H ATOM 1181 HG2 MET A 79 21.230 -4.314 13.828 1.00 0.00 H ATOM 1182 HG3 MET A 79 20.175 -3.531 12.628 1.00 0.00 H ATOM 1183 HE1 MET A 79 19.746 -1.377 13.849 1.00 0.00 H ATOM 1184 HE2 MET A 79 20.561 -2.102 15.257 1.00 0.00 H ATOM 1185 HE3 MET A 79 20.972 -0.447 14.745 1.00 0.00 H ATOM 1186 H MET A 79 22.231 -7.146 12.542 1.00 0.00 H ATOM 1187 N SER A 80 21.510 -5.561 8.951 1.00 15.10 N ATOM 1188 CA SER A 80 22.123 -5.807 7.650 1.00 15.24 C ATOM 1189 C SER A 80 23.429 -5.008 7.557 1.00 13.63 C ATOM 1190 O SER A 80 23.410 -3.803 7.671 1.00 14.81 O ATOM 1191 CB SER A 80 21.171 -5.404 6.519 1.00 15.15 C ATOM 1192 OG SER A 80 21.822 -5.524 5.260 1.00 16.68 O ATOM 1193 HA SER A 80 22.335 -6.871 7.546 1.00 0.00 H ATOM 1194 HB2 SER A 80 20.856 -4.371 6.664 1.00 0.00 H ATOM 1195 HB3 SER A 80 20.297 -6.055 6.536 1.00 0.00 H ATOM 1196 HG SER A 80 22.106 -6.463 5.125 1.00 0.00 H ATOM 1197 H SER A 80 20.670 -4.950 8.999 1.00 0.00 H ATOM 1198 N ILE A 81 24.517 -5.727 7.333 1.00 14.54 N ATOM 1199 CA ILE A 81 25.851 -5.096 7.224 1.00 14.86 C ATOM 1200 C ILE A 81 26.664 -5.695 6.070 1.00 15.03 C ATOM 1201 O ILE A 81 26.367 -6.800 5.585 1.00 16.42 O ATOM 1202 CB ILE A 81 26.681 -5.213 8.535 1.00 15.13 C ATOM 1203 CG1 ILE A 81 27.066 -6.647 8.781 1.00 15.83 C ATOM 1204 CG2 ILE A 81 25.899 -4.677 9.708 1.00 14.88 C ATOM 1205 CD1 ILE A 81 28.005 -6.856 9.933 1.00 17.65 C ATOM 1206 HA ILE A 81 25.659 -4.041 7.030 1.00 0.00 H ATOM 1207 HB ILE A 81 27.588 -4.618 8.423 1.00 0.00 H ATOM 1208 HG12 ILE A 81 26.156 -7.214 8.977 1.00 0.00 H ATOM 1209 HG13 ILE A 81 27.544 -7.030 7.879 1.00 0.00 H ATOM 1210 HD11 ILE A 81 28.929 -6.308 9.751 1.00 0.00 H ATOM 1211 HD12 ILE A 81 27.540 -6.492 10.849 1.00 0.00 H ATOM 1212 HD13 ILE A 81 28.225 -7.919 10.033 1.00 0.00 H ATOM 1213 HG21 ILE A 81 25.659 -3.628 9.534 1.00 0.00 H ATOM 1214 HG22 ILE A 81 24.978 -5.248 9.820 1.00 0.00 H ATOM 1215 HG23 ILE A 81 26.498 -4.768 10.614 1.00 0.00 H ATOM 1216 H ILE A 81 24.433 -6.759 7.231 1.00 0.00 H ATOM 1217 N THR A 82 27.734 -4.993 5.695 1.00 14.45 N ATOM 1218 CA THR A 82 28.704 -5.491 4.720 1.00 14.87 C ATOM 1219 C THR A 82 30.104 -5.263 5.294 1.00 14.16 C ATOM 1220 O THR A 82 30.456 -4.136 5.669 1.00 14.24 O ATOM 1221 CB THR A 82 28.574 -4.749 3.375 1.00 15.27 C ATOM 1222 OG1 THR A 82 27.272 -4.990 2.813 1.00 16.38 O ATOM 1223 CG2 THR A 82 29.586 -5.281 2.341 1.00 16.99 C ATOM 1224 HA THR A 82 28.521 -6.550 4.535 1.00 0.00 H ATOM 1225 HB THR A 82 28.749 -3.692 3.576 1.00 0.00 H ATOM 1226 HG1 THR A 82 26.578 -4.662 3.438 1.00 0.00 H ATOM 1227 HG23 THR A 82 30.599 -5.126 2.713 1.00 0.00 H ATOM 1228 HG21 THR A 82 29.415 -6.346 2.182 1.00 0.00 H ATOM 1229 HG22 THR A 82 29.457 -4.747 1.400 1.00 0.00 H ATOM 1230 H THR A 82 27.885 -4.053 6.113 1.00 0.00 H ATOM 1231 N ASP A 83 30.873 -6.327 5.379 1.00 14.03 N ATOM 1232 CA ASP A 83 32.250 -6.277 5.818 1.00 15.79 C ATOM 1233 C ASP A 83 33.185 -6.189 4.630 1.00 15.57 C ATOM 1234 O ASP A 83 33.007 -6.922 3.620 1.00 15.69 O ATOM 1235 CB ASP A 83 32.563 -7.515 6.622 1.00 17.35 C ATOM 1236 CG ASP A 83 31.828 -7.539 7.917 1.00 21.45 C ATOM 1237 OD1 ASP A 83 31.938 -6.566 8.698 1.00 23.44 O ATOM 1238 OD2 ASP A 83 31.109 -8.489 8.240 1.00 26.33 O ATOM 1239 HA ASP A 83 32.392 -5.390 6.436 1.00 0.00 H ATOM 1240 HB2 ASP A 83 32.282 -8.393 6.041 1.00 0.00 H ATOM 1241 HB3 ASP A 83 33.634 -7.543 6.824 1.00 0.00 H ATOM 1242 H ASP A 83 30.471 -7.250 5.118 1.00 0.00 H ATOM 1243 N CYS A 84 34.175 -5.302 4.741 1.00 15.48 N ATOM 1244 CA CYS A 84 35.161 -5.096 3.699 1.00 16.00 C ATOM 1245 C CYS A 84 36.526 -5.418 4.282 1.00 17.01 C ATOM 1246 O CYS A 84 36.925 -4.846 5.312 1.00 17.83 O ATOM 1247 CB CYS A 84 35.161 -3.637 3.267 1.00 15.66 C ATOM 1248 SG CYS A 84 33.592 -3.111 2.513 1.00 15.39 S ATOM 1249 HA CYS A 84 34.932 -5.729 2.842 1.00 0.00 H ATOM 1250 HB2 CYS A 84 35.961 -3.491 2.541 1.00 0.00 H ATOM 1251 HB3 CYS A 84 35.350 -3.016 4.143 1.00 0.00 H ATOM 1252 H CYS A 84 34.242 -4.735 5.610 1.00 0.00 H ATOM 1253 N ARG A 85 37.247 -6.335 3.651 1.00 18.54 N ATOM 1254 CA ARG A 85 38.577 -6.710 4.129 1.00 20.72 C ATOM 1255 C ARG A 85 39.562 -6.645 2.974 1.00 22.02 C ATOM 1256 O ARG A 85 39.309 -7.187 1.898 1.00 21.69 O ATOM 1257 CB ARG A 85 38.556 -8.107 4.728 1.00 21.93 C ATOM 1258 CG ARG A 85 39.911 -8.556 5.241 1.00 24.98 C ATOM 1259 CD ARG A 85 39.867 -9.879 5.974 1.00 28.41 C ATOM 1260 NE ARG A 85 39.018 -9.812 7.157 1.00 31.18 N ATOM 1261 CZ ARG A 85 39.368 -9.243 8.305 1.00 32.68 C ATOM 1262 NH1 ARG A 85 40.562 -8.685 8.439 1.00 34.44 N ATOM 1263 NH2 ARG A 85 38.528 -9.237 9.327 1.00 33.62 N ATOM 1264 HA ARG A 85 38.886 -6.013 4.908 1.00 0.00 H ATOM 1265 HB2 ARG A 85 37.850 -8.118 5.558 1.00 0.00 H ATOM 1266 HB3 ARG A 85 38.225 -8.808 3.962 1.00 0.00 H ATOM 1267 HG2 ARG A 85 40.587 -8.653 4.392 1.00 0.00 H ATOM 1268 HG3 ARG A 85 40.292 -7.795 5.922 1.00 0.00 H ATOM 1269 HD2 ARG A 85 40.878 -10.148 6.279 1.00 0.00 H ATOM 1270 HD3 ARG A 85 39.477 -10.643 5.302 1.00 0.00 H ATOM 1271 HE ARG A 85 38.072 -10.240 7.098 1.00 0.00 H ATOM 1272 HH12 ARG A 85 40.830 -8.241 9.340 1.00 0.00 H ATOM 1273 HH11 ARG A 85 41.231 -8.691 7.643 1.00 0.00 H ATOM 1274 HH22 ARG A 85 38.805 -8.791 10.225 1.00 0.00 H ATOM 1275 HH21 ARG A 85 37.591 -9.678 9.233 1.00 0.00 H ATOM 1276 H ARG A 85 36.860 -6.795 2.802 1.00 0.00 H ATOM 1277 N GLU A 86 40.676 -5.956 3.180 1.00 23.45 N ATOM 1278 CA GLU A 86 41.678 -5.815 2.134 1.00 24.89 C ATOM 1279 C GLU A 86 42.241 -7.184 1.734 1.00 25.67 C ATOM 1280 O GLU A 86 42.548 -8.007 2.602 1.00 26.38 O ATOM 1281 CB GLU A 86 42.803 -4.887 2.612 1.00 25.44 C ATOM 1282 CG GLU A 86 43.981 -4.820 1.670 1.00 26.68 C ATOM 1283 CD GLU A 86 44.987 -3.783 2.098 1.00 28.26 C ATOM 1284 OE1 GLU A 86 45.301 -3.758 3.308 1.00 30.36 O ATOM 1285 OE2 GLU A 86 45.433 -3.018 1.230 1.00 29.54 O ATOM 1286 HA GLU A 86 41.207 -5.375 1.255 1.00 0.00 H ATOM 1287 HB2 GLU A 86 42.395 -3.882 2.725 1.00 0.00 H ATOM 1288 HB3 GLU A 86 43.156 -5.245 3.579 1.00 0.00 H ATOM 1289 HG2 GLU A 86 44.468 -5.795 1.645 1.00 0.00 H ATOM 1290 HG3 GLU A 86 43.620 -4.570 0.672 1.00 0.00 H ATOM 1291 H GLU A 86 40.836 -5.509 4.105 1.00 0.00 H ATOM 1292 N THR A 87 42.329 -7.438 0.427 1.00 26.43 N ATOM 1293 CA THR A 87 42.862 -8.716 -0.064 1.00 27.10 C ATOM 1294 C THR A 87 44.376 -8.810 0.148 1.00 28.02 C ATOM 1295 O THR A 87 45.032 -7.846 0.540 1.00 27.92 O ATOM 1296 CB THR A 87 42.559 -8.932 -1.560 1.00 27.05 C ATOM 1297 OG1 THR A 87 43.193 -7.912 -2.343 1.00 27.50 O ATOM 1298 CG2 THR A 87 41.068 -8.804 -1.862 1.00 27.02 C ATOM 1299 HA THR A 87 42.363 -9.493 0.515 1.00 0.00 H ATOM 1300 HB THR A 87 42.920 -9.932 -1.802 1.00 0.00 H ATOM 1301 HG1 THR A 87 42.851 -7.025 -2.066 1.00 0.00 H ATOM 1302 HG23 THR A 87 40.518 -9.556 -1.296 1.00 0.00 H ATOM 1303 HG21 THR A 87 40.725 -7.809 -1.577 1.00 0.00 H ATOM 1304 HG22 THR A 87 40.900 -8.956 -2.928 1.00 0.00 H ATOM 1305 H THR A 87 42.015 -6.719 -0.256 1.00 0.00 H ATOM 1306 N GLY A 88 44.926 -9.989 -0.112 1.00 29.13 N ATOM 1307 CA GLY A 88 46.351 -10.203 0.044 1.00 30.01 C ATOM 1308 C GLY A 88 47.174 -9.584 -1.072 1.00 30.85 C ATOM 1309 O GLY A 88 48.370 -9.363 -0.898 1.00 31.82 O ATOM 1310 HA3 GLY A 88 46.541 -11.276 0.061 1.00 0.00 H ATOM 1311 HA2 GLY A 88 46.666 -9.765 0.991 1.00 0.00 H ATOM 1312 H GLY A 88 44.324 -10.774 -0.433 1.00 0.00 H ATOM 1313 N SER A 89 46.549 -9.287 -2.209 1.00 31.41 N ATOM 1314 CA SER A 89 47.259 -8.718 -3.355 1.00 32.14 C ATOM 1315 C SER A 89 46.966 -7.226 -3.543 1.00 32.30 C ATOM 1316 O SER A 89 47.415 -6.617 -4.520 1.00 32.50 O ATOM 1317 CB SER A 89 46.909 -9.483 -4.638 1.00 32.47 C ATOM 1318 OG SER A 89 45.533 -9.375 -4.970 1.00 33.63 O ATOM 1319 HA SER A 89 48.324 -8.820 -3.148 1.00 0.00 H ATOM 1320 HB2 SER A 89 47.155 -10.536 -4.497 1.00 0.00 H ATOM 1321 HB3 SER A 89 47.501 -9.080 -5.460 1.00 0.00 H ATOM 1322 HG SER A 89 44.987 -9.746 -4.232 1.00 0.00 H ATOM 1323 H SER A 89 45.527 -9.464 -2.285 1.00 0.00 H ATOM 1324 N SER A 90 46.213 -6.649 -2.609 1.00 32.10 N ATOM 1325 CA SER A 90 45.859 -5.234 -2.657 1.00 31.82 C ATOM 1326 C SER A 90 47.098 -4.354 -2.582 1.00 31.89 C ATOM 1327 O SER A 90 47.860 -4.454 -1.629 1.00 31.71 O ATOM 1328 CB SER A 90 44.930 -4.889 -1.491 1.00 31.55 C ATOM 1329 OG SER A 90 44.689 -3.493 -1.433 1.00 30.85 O ATOM 1330 HA SER A 90 45.354 -5.048 -3.605 1.00 0.00 H ATOM 1331 HB2 SER A 90 45.393 -5.211 -0.558 1.00 0.00 H ATOM 1332 HB3 SER A 90 43.982 -5.410 -1.623 1.00 0.00 H ATOM 1333 HG SER A 90 44.087 -3.295 -0.673 1.00 0.00 H ATOM 1334 H SER A 90 45.865 -7.227 -1.817 1.00 0.00 H ATOM 1335 N LYS A 91 47.268 -3.479 -3.573 1.00 32.00 N ATOM 1336 CA LYS A 91 48.420 -2.580 -3.628 1.00 32.34 C ATOM 1337 C LYS A 91 48.034 -1.104 -3.770 1.00 32.30 C ATOM 1338 O LYS A 91 47.516 -0.676 -4.801 1.00 32.11 O ATOM 1339 CB LYS A 91 49.356 -2.988 -4.772 1.00 32.46 C ATOM 1340 CG LYS A 91 49.982 -4.377 -4.609 1.00 32.78 C ATOM 1341 CD LYS A 91 51.179 -4.380 -3.664 1.00 33.39 C ATOM 1342 CE LYS A 91 50.788 -4.149 -2.227 1.00 33.54 C ATOM 1343 NZ LYS A 91 51.927 -4.300 -1.305 1.00 35.10 N ATOM 1344 HA LYS A 91 48.933 -2.678 -2.671 1.00 0.00 H ATOM 1345 HB2 LYS A 91 48.786 -2.977 -5.701 1.00 0.00 H ATOM 1346 HB3 LYS A 91 50.161 -2.255 -4.833 1.00 0.00 H ATOM 1347 HG2 LYS A 91 49.226 -5.056 -4.215 1.00 0.00 H ATOM 1348 HG3 LYS A 91 50.310 -4.728 -5.587 1.00 0.00 H ATOM 1349 HD2 LYS A 91 51.680 -5.345 -3.738 1.00 0.00 H ATOM 1350 HD3 LYS A 91 51.866 -3.591 -3.969 1.00 0.00 H ATOM 1351 HE2 LYS A 91 50.017 -4.870 -1.953 1.00 0.00 H ATOM 1352 HE3 LYS A 91 50.390 -3.139 -2.130 1.00 0.00 H ATOM 1353 HZ1 LYS A 91 52.310 -5.264 -1.384 1.00 0.00 H ATOM 1354 HZ2 LYS A 91 52.666 -3.611 -1.553 1.00 0.00 H ATOM 1355 HZ3 LYS A 91 51.607 -4.131 -0.330 1.00 0.00 H ATOM 1356 H LYS A 91 46.558 -3.434 -4.332 1.00 0.00 H ATOM 1357 N TYR A 92 48.322 -0.332 -2.730 1.00 32.74 N ATOM 1358 CA TYR A 92 48.069 1.107 -2.725 1.00 33.23 C ATOM 1359 C TYR A 92 48.720 1.746 -3.953 1.00 33.38 C ATOM 1360 O TYR A 92 49.798 1.324 -4.365 1.00 33.50 O ATOM 1361 CB TYR A 92 48.654 1.710 -1.447 1.00 33.38 C ATOM 1362 CG TYR A 92 48.420 3.193 -1.243 1.00 33.97 C ATOM 1363 CD1 TYR A 92 47.207 3.669 -0.766 1.00 34.56 C ATOM 1364 CD2 TYR A 92 49.427 4.116 -1.503 1.00 34.63 C ATOM 1365 CE1 TYR A 92 46.995 5.027 -0.571 1.00 34.71 C ATOM 1366 CE2 TYR A 92 49.225 5.469 -1.310 1.00 34.79 C ATOM 1367 CZ TYR A 92 48.012 5.921 -0.842 1.00 35.38 C ATOM 1368 OH TYR A 92 47.823 7.274 -0.651 1.00 36.11 O ATOM 1369 HA TYR A 92 46.996 1.296 -2.757 1.00 0.00 H ATOM 1370 HB3 TYR A 92 49.731 1.541 -1.461 1.00 0.00 H ATOM 1371 HB2 TYR A 92 48.216 1.184 -0.599 1.00 0.00 H ATOM 1372 HD2 TYR A 92 50.393 3.766 -1.866 1.00 0.00 H ATOM 1373 HE2 TYR A 92 50.025 6.177 -1.528 1.00 0.00 H ATOM 1374 HE1 TYR A 92 46.032 5.385 -0.206 1.00 0.00 H ATOM 1375 HD1 TYR A 92 46.407 2.964 -0.540 1.00 0.00 H ATOM 1376 HH TYR A 92 48.481 7.608 0.009 1.00 0.00 H ATOM 1377 H TYR A 92 48.744 -0.768 -1.886 1.00 0.00 H ATOM 1378 N PRO A 93 48.085 2.746 -4.557 1.00 33.61 N ATOM 1379 CA PRO A 93 46.771 3.258 -4.163 1.00 33.59 C ATOM 1380 C PRO A 93 45.617 2.424 -4.715 1.00 33.48 C ATOM 1381 O PRO A 93 44.456 2.834 -4.634 1.00 33.61 O ATOM 1382 CB PRO A 93 46.778 4.647 -4.798 1.00 33.69 C ATOM 1383 CG PRO A 93 47.492 4.412 -6.073 1.00 33.85 C ATOM 1384 CD PRO A 93 48.651 3.538 -5.662 1.00 33.71 C ATOM 1385 HA PRO A 93 46.620 3.244 -3.084 1.00 0.00 H ATOM 1386 HD3 PRO A 93 48.970 2.896 -6.483 1.00 0.00 H ATOM 1387 HD2 PRO A 93 49.495 4.138 -5.323 1.00 0.00 H ATOM 1388 HG3 PRO A 93 47.843 5.350 -6.504 1.00 0.00 H ATOM 1389 HG2 PRO A 93 46.852 3.900 -6.792 1.00 0.00 H ATOM 1390 HB2 PRO A 93 45.764 5.005 -4.974 1.00 0.00 H ATOM 1391 HB3 PRO A 93 47.312 5.363 -4.173 1.00 0.00 H ATOM 1392 N ASN A 94 45.942 1.258 -5.262 1.00 33.06 N ATOM 1393 CA ASN A 94 44.947 0.356 -5.806 1.00 32.74 C ATOM 1394 C ASN A 94 44.509 -0.641 -4.733 1.00 31.58 C ATOM 1395 O ASN A 94 44.765 -1.844 -4.830 1.00 31.53 O ATOM 1396 CB ASN A 94 45.514 -0.382 -7.020 1.00 33.15 C ATOM 1397 CG ASN A 94 46.081 0.559 -8.063 1.00 34.57 C ATOM 1398 OD1 ASN A 94 47.071 1.248 -7.821 1.00 36.65 O ATOM 1399 ND2 ASN A 94 45.454 0.590 -9.233 1.00 36.32 N ATOM 1400 HA ASN A 94 44.079 0.933 -6.125 1.00 0.00 H ATOM 1401 HB2 ASN A 94 46.307 -1.049 -6.684 1.00 0.00 H ATOM 1402 HB3 ASN A 94 44.716 -0.969 -7.476 1.00 0.00 H ATOM 1403 HD22 ASN A 94 44.620 -0.011 -9.392 1.00 0.00 H ATOM 1404 HD21 ASN A 94 45.797 1.215 -9.990 1.00 0.00 H ATOM 1405 H ASN A 94 46.944 0.983 -5.301 1.00 0.00 H ATOM 1406 N CYS A 95 43.851 -0.137 -3.694 1.00 30.37 N ATOM 1407 CA CYS A 95 43.385 -0.996 -2.618 1.00 29.26 C ATOM 1408 C CYS A 95 42.255 -1.892 -3.120 1.00 28.10 C ATOM 1409 O CYS A 95 41.339 -1.433 -3.793 1.00 28.26 O ATOM 1410 CB CYS A 95 42.934 -0.162 -1.419 1.00 29.03 C ATOM 1411 SG CYS A 95 44.235 0.947 -0.831 1.00 30.15 S ATOM 1412 HA CYS A 95 44.209 -1.630 -2.290 1.00 0.00 H ATOM 1413 HB2 CYS A 95 42.653 -0.835 -0.609 1.00 0.00 H ATOM 1414 HB3 CYS A 95 42.069 0.434 -1.711 1.00 0.00 H ATOM 1415 H CYS A 95 43.667 0.886 -3.650 1.00 0.00 H ATOM 1416 N ALA A 96 42.348 -3.175 -2.808 1.00 25.94 N ATOM 1417 CA ALA A 96 41.364 -4.155 -3.232 1.00 24.57 C ATOM 1418 C ALA A 96 40.781 -4.807 -2.008 1.00 22.57 C ATOM 1419 O ALA A 96 41.508 -5.065 -1.049 1.00 22.37 O ATOM 1420 CB ALA A 96 42.012 -5.209 -4.115 1.00 24.93 C ATOM 1421 HA ALA A 96 40.580 -3.661 -3.806 1.00 0.00 H ATOM 1422 HB1 ALA A 96 42.439 -4.730 -4.996 1.00 0.00 H ATOM 1423 HB2 ALA A 96 42.800 -5.715 -3.557 1.00 0.00 H ATOM 1424 HB3 ALA A 96 41.260 -5.935 -4.423 1.00 0.00 H ATOM 1425 H ALA A 96 43.157 -3.493 -2.237 1.00 0.00 H ATOM 1426 N TYR A 97 39.475 -5.095 -2.065 1.00 20.80 N ATOM 1427 CA TYR A 97 38.748 -5.661 -0.917 1.00 19.30 C ATOM 1428 C TYR A 97 37.837 -6.849 -1.260 1.00 18.97 C ATOM 1429 O TYR A 97 37.297 -6.974 -2.377 1.00 19.38 O ATOM 1430 CB TYR A 97 37.873 -4.591 -0.238 1.00 18.92 C ATOM 1431 CG TYR A 97 38.649 -3.447 0.355 1.00 17.99 C ATOM 1432 CD1 TYR A 97 39.067 -2.387 -0.426 1.00 19.11 C ATOM 1433 CD2 TYR A 97 38.984 -3.444 1.697 1.00 18.20 C ATOM 1434 CE1 TYR A 97 39.788 -1.340 0.122 1.00 19.25 C ATOM 1435 CE2 TYR A 97 39.709 -2.408 2.246 1.00 20.11 C ATOM 1436 CZ TYR A 97 40.114 -1.359 1.448 1.00 21.44 C ATOM 1437 OH TYR A 97 40.842 -0.307 1.979 1.00 22.76 O ATOM 1438 HA TYR A 97 39.535 -6.021 -0.254 1.00 0.00 H ATOM 1439 HB3 TYR A 97 37.305 -5.069 0.560 1.00 0.00 H ATOM 1440 HB2 TYR A 97 37.185 -4.189 -0.982 1.00 0.00 H ATOM 1441 HD2 TYR A 97 38.670 -4.274 2.330 1.00 0.00 H ATOM 1442 HE2 TYR A 97 39.961 -2.418 3.306 1.00 0.00 H ATOM 1443 HE1 TYR A 97 40.095 -0.502 -0.504 1.00 0.00 H ATOM 1444 HD1 TYR A 97 38.826 -2.375 -1.489 1.00 0.00 H ATOM 1445 HH TYR A 97 41.689 -0.652 2.359 1.00 0.00 H ATOM 1446 H TYR A 97 38.957 -4.913 -2.949 1.00 0.00 H ATOM 1447 N LYS A 98 37.665 -7.705 -0.266 1.00 19.30 N ATOM 1448 CA LYS A 98 36.709 -8.797 -0.337 1.00 19.46 C ATOM 1449 C LYS A 98 35.414 -8.319 0.348 1.00 18.37 C ATOM 1450 O LYS A 98 35.468 -7.837 1.499 1.00 18.77 O ATOM 1451 CB LYS A 98 37.259 -10.017 0.381 1.00 20.63 C ATOM 1452 CG LYS A 98 36.385 -11.248 0.365 1.00 23.66 C ATOM 1453 CD LYS A 98 37.080 -12.428 1.046 1.00 27.40 C ATOM 1454 CE LYS A 98 37.286 -12.194 2.535 1.00 29.07 C ATOM 1455 NZ LYS A 98 35.997 -12.032 3.262 1.00 30.40 N ATOM 1456 HA LYS A 98 36.516 -9.074 -1.373 1.00 0.00 H ATOM 1457 HB2 LYS A 98 38.210 -10.277 -0.085 1.00 0.00 H ATOM 1458 HB3 LYS A 98 37.429 -9.742 1.422 1.00 0.00 H ATOM 1459 HG2 LYS A 98 35.455 -11.031 0.891 1.00 0.00 H ATOM 1460 HG3 LYS A 98 36.163 -11.514 -0.669 1.00 0.00 H ATOM 1461 HD2 LYS A 98 36.469 -13.320 0.912 1.00 0.00 H ATOM 1462 HD3 LYS A 98 38.052 -12.581 0.577 1.00 0.00 H ATOM 1463 HE2 LYS A 98 37.881 -11.291 2.670 1.00 0.00 H ATOM 1464 HE3 LYS A 98 37.821 -13.046 2.954 1.00 0.00 H ATOM 1465 HZ1 LYS A 98 35.482 -11.216 2.874 1.00 0.00 H ATOM 1466 HZ2 LYS A 98 35.424 -12.892 3.146 1.00 0.00 H ATOM 1467 HZ3 LYS A 98 36.188 -11.875 4.272 1.00 0.00 H ATOM 1468 H LYS A 98 38.234 -7.592 0.597 1.00 0.00 H ATOM 1469 N THR A 99 34.282 -8.408 -0.358 1.00 16.94 N ATOM 1470 CA THR A 99 32.976 -7.975 0.141 1.00 16.72 C ATOM 1471 C THR A 99 32.205 -9.155 0.724 1.00 16.85 C ATOM 1472 O THR A 99 31.987 -10.150 0.026 1.00 17.29 O ATOM 1473 CB THR A 99 32.152 -7.378 -1.025 1.00 17.59 C ATOM 1474 OG1 THR A 99 32.764 -6.183 -1.524 1.00 18.76 O ATOM 1475 CG2 THR A 99 30.782 -6.949 -0.555 1.00 17.18 C ATOM 1476 HA THR A 99 33.135 -7.228 0.919 1.00 0.00 H ATOM 1477 HB THR A 99 32.096 -8.156 -1.786 1.00 0.00 H ATOM 1478 HG1 THR A 99 33.675 -6.392 -1.851 1.00 0.00 H ATOM 1479 HG23 THR A 99 30.249 -7.813 -0.157 1.00 0.00 H ATOM 1480 HG21 THR A 99 30.887 -6.194 0.224 1.00 0.00 H ATOM 1481 HG22 THR A 99 30.226 -6.532 -1.394 1.00 0.00 H ATOM 1482 H THR A 99 34.332 -8.808 -1.317 1.00 0.00 H ATOM 1483 N THR A 100 31.754 -9.036 1.981 1.00 16.38 N ATOM 1484 CA THR A 100 30.944 -10.072 2.614 1.00 17.38 C ATOM 1485 C THR A 100 29.715 -9.529 3.349 1.00 17.42 C ATOM 1486 O THR A 100 29.840 -8.870 4.398 1.00 18.50 O ATOM 1487 CB THR A 100 31.781 -10.830 3.624 1.00 17.55 C ATOM 1488 OG1 THR A 100 32.938 -11.386 3.000 1.00 18.92 O ATOM 1489 CG2 THR A 100 31.020 -12.014 4.185 1.00 20.17 C ATOM 1490 HA THR A 100 30.597 -10.713 1.804 1.00 0.00 H ATOM 1491 HB THR A 100 32.041 -10.116 4.405 1.00 0.00 H ATOM 1492 HG1 THR A 100 33.484 -10.657 2.612 1.00 0.00 H ATOM 1493 HG23 THR A 100 30.116 -11.661 4.681 1.00 0.00 H ATOM 1494 HG21 THR A 100 30.751 -12.689 3.373 1.00 0.00 H ATOM 1495 HG22 THR A 100 31.648 -12.540 4.904 1.00 0.00 H ATOM 1496 H THR A 100 31.989 -8.179 2.522 1.00 0.00 H ATOM 1497 N GLN A 101 28.532 -9.845 2.844 1.00 18.47 N ATOM 1498 CA GLN A 101 27.271 -9.423 3.443 1.00 19.17 C ATOM 1499 C GLN A 101 26.963 -10.311 4.643 1.00 19.10 C ATOM 1500 O GLN A 101 27.323 -11.482 4.641 1.00 19.24 O ATOM 1501 CB GLN A 101 26.137 -9.579 2.423 1.00 20.13 C ATOM 1502 CG GLN A 101 24.751 -9.339 2.982 1.00 23.61 C ATOM 1503 CD GLN A 101 24.571 -7.919 3.448 1.00 25.21 C ATOM 1504 OE1 GLN A 101 23.624 -7.595 4.191 1.00 26.07 O ATOM 1505 NE2 GLN A 101 25.470 -7.053 3.014 1.00 25.58 N ATOM 1506 HA GLN A 101 27.353 -8.381 3.752 1.00 0.00 H ATOM 1507 HB2 GLN A 101 26.306 -8.868 1.615 1.00 0.00 H ATOM 1508 HB3 GLN A 101 26.173 -10.594 2.026 1.00 0.00 H ATOM 1509 HG2 GLN A 101 24.016 -9.551 2.205 1.00 0.00 H ATOM 1510 HG3 GLN A 101 24.590 -10.010 3.826 1.00 0.00 H ATOM 1511 HE22 GLN A 101 26.243 -7.372 2.395 1.00 0.00 H ATOM 1512 HE21 GLN A 101 25.405 -6.053 3.291 1.00 0.00 H ATOM 1513 H GLN A 101 28.501 -10.422 1.979 1.00 0.00 H ATOM 1514 N ALA A 102 26.275 -9.748 5.640 1.00 18.95 N ATOM 1515 CA ALA A 102 25.877 -10.474 6.831 1.00 18.86 C ATOM 1516 C ALA A 102 24.740 -9.764 7.546 1.00 17.42 C ATOM 1517 O ALA A 102 24.382 -8.652 7.231 1.00 17.17 O ATOM 1518 CB ALA A 102 27.059 -10.629 7.764 1.00 19.60 C ATOM 1519 HA ALA A 102 25.527 -11.461 6.528 1.00 0.00 H ATOM 1520 HB1 ALA A 102 27.851 -11.179 7.256 1.00 0.00 H ATOM 1521 HB2 ALA A 102 27.426 -9.643 8.051 1.00 0.00 H ATOM 1522 HB3 ALA A 102 26.748 -11.175 8.654 1.00 0.00 H ATOM 1523 H ALA A 102 26.013 -8.745 5.559 1.00 0.00 H ATOM 1524 N ASN A 103 24.119 -10.499 8.470 1.00 17.85 N ATOM 1525 CA ASN A 103 23.060 -10.001 9.340 1.00 17.56 C ATOM 1526 C ASN A 103 23.510 -10.365 10.740 1.00 17.33 C ATOM 1527 O ASN A 103 23.425 -11.528 11.145 1.00 18.89 O ATOM 1528 CB ASN A 103 21.709 -10.647 9.010 1.00 18.75 C ATOM 1529 CG ASN A 103 21.165 -10.163 7.699 1.00 20.72 C ATOM 1530 OD1 ASN A 103 20.706 -9.021 7.575 1.00 23.18 O ATOM 1531 ND2 ASN A 103 21.207 -11.021 6.711 1.00 24.99 N ATOM 1532 HA ASN A 103 22.908 -8.928 9.220 1.00 0.00 H ATOM 1533 HB2 ASN A 103 21.837 -11.728 8.961 1.00 0.00 H ATOM 1534 HB3 ASN A 103 20.998 -10.402 9.799 1.00 0.00 H ATOM 1535 HD22 ASN A 103 21.603 -11.971 6.863 1.00 0.00 H ATOM 1536 HD21 ASN A 103 20.845 -10.753 5.774 1.00 0.00 H ATOM 1537 H ASN A 103 24.409 -11.492 8.577 1.00 0.00 H ATOM 1538 N LYS A 104 24.059 -9.376 11.444 1.00 16.19 N ATOM 1539 CA LYS A 104 24.623 -9.593 12.765 1.00 15.67 C ATOM 1540 C LYS A 104 24.304 -8.407 13.671 1.00 14.04 C ATOM 1541 O LYS A 104 23.823 -7.361 13.254 1.00 14.50 O ATOM 1542 CB LYS A 104 26.138 -9.790 12.678 1.00 16.31 C ATOM 1543 CG LYS A 104 26.610 -10.994 11.911 1.00 18.27 C ATOM 1544 CD LYS A 104 28.101 -11.035 11.844 1.00 18.92 C ATOM 1545 CE LYS A 104 28.558 -12.278 11.131 1.00 19.84 C ATOM 1546 NZ LYS A 104 30.031 -12.316 10.993 1.00 20.33 N ATOM 1547 HA LYS A 104 24.179 -10.495 13.186 1.00 0.00 H ATOM 1548 HB2 LYS A 104 26.561 -8.906 12.202 1.00 0.00 H ATOM 1549 HB3 LYS A 104 26.521 -9.872 13.695 1.00 0.00 H ATOM 1550 HG2 LYS A 104 26.250 -11.896 12.406 1.00 0.00 H ATOM 1551 HG3 LYS A 104 26.208 -10.952 10.899 1.00 0.00 H ATOM 1552 HD2 LYS A 104 28.461 -10.158 11.306 1.00 0.00 H ATOM 1553 HD3 LYS A 104 28.507 -11.031 12.856 1.00 0.00 H ATOM 1554 HE2 LYS A 104 28.109 -12.302 10.138 1.00 0.00 H ATOM 1555 HE3 LYS A 104 28.233 -13.151 11.697 1.00 0.00 H ATOM 1556 HZ1 LYS A 104 30.348 -11.489 10.448 1.00 0.00 H ATOM 1557 HZ2 LYS A 104 30.467 -12.299 11.937 1.00 0.00 H ATOM 1558 HZ3 LYS A 104 30.309 -13.187 10.497 1.00 0.00 H ATOM 1559 H LYS A 104 24.085 -8.420 11.036 1.00 0.00 H ATOM 1560 N HIS A 105 24.566 -8.623 14.966 1.00 13.62 N ATOM 1561 CA HIS A 105 24.431 -7.556 15.947 1.00 13.14 C ATOM 1562 C HIS A 105 25.677 -6.682 15.822 1.00 12.62 C ATOM 1563 O HIS A 105 26.797 -7.208 15.736 1.00 15.74 O ATOM 1564 CB HIS A 105 24.352 -8.119 17.376 1.00 13.49 C ATOM 1565 CG HIS A 105 23.243 -9.118 17.575 1.00 16.02 C ATOM 1566 ND1 HIS A 105 21.936 -8.757 17.830 1.00 16.78 N ATOM 1567 CD2 HIS A 105 23.243 -10.467 17.514 1.00 19.07 C ATOM 1568 CE1 HIS A 105 21.179 -9.836 17.921 1.00 18.30 C ATOM 1569 NE2 HIS A 105 21.949 -10.889 17.743 1.00 19.55 N ATOM 1570 HA HIS A 105 23.516 -6.994 15.762 1.00 0.00 H ATOM 1571 HB2 HIS A 105 25.299 -8.606 17.607 1.00 0.00 H ATOM 1572 HB3 HIS A 105 24.195 -7.289 18.065 1.00 0.00 H ATOM 1573 HD2 HIS A 105 24.105 -11.105 17.320 1.00 0.00 H ATOM 1574 HE1 HIS A 105 20.106 -9.852 18.110 1.00 0.00 H ATOM 1575 H HIS A 105 24.871 -9.568 15.276 1.00 0.00 H ATOM 1576 N ILE A 106 25.478 -5.386 15.804 1.00 11.66 N ATOM 1577 CA ILE A 106 26.623 -4.480 15.732 1.00 11.07 C ATOM 1578 C ILE A 106 27.006 -3.961 17.115 1.00 10.02 C ATOM 1579 O ILE A 106 26.164 -3.901 18.004 1.00 10.25 O ATOM 1580 CB ILE A 106 26.357 -3.280 14.777 1.00 11.36 C ATOM 1581 CG1 ILE A 106 25.283 -2.326 15.314 1.00 11.72 C ATOM 1582 CG2 ILE A 106 26.020 -3.765 13.380 1.00 12.71 C ATOM 1583 CD1 ILE A 106 25.171 -1.030 14.533 1.00 12.81 C ATOM 1584 HA ILE A 106 27.453 -5.060 15.328 1.00 0.00 H ATOM 1585 HB ILE A 106 27.281 -2.704 14.725 1.00 0.00 H ATOM 1586 HG12 ILE A 106 24.320 -2.835 15.276 1.00 0.00 H ATOM 1587 HG13 ILE A 106 25.524 -2.084 16.349 1.00 0.00 H ATOM 1588 HD11 ILE A 106 26.123 -0.501 14.571 1.00 0.00 H ATOM 1589 HD12 ILE A 106 24.918 -1.253 13.496 1.00 0.00 H ATOM 1590 HD13 ILE A 106 24.391 -0.408 14.973 1.00 0.00 H ATOM 1591 HG21 ILE A 106 26.854 -4.348 12.988 1.00 0.00 H ATOM 1592 HG22 ILE A 106 25.126 -4.388 13.419 1.00 0.00 H ATOM 1593 HG23 ILE A 106 25.839 -2.907 12.733 1.00 0.00 H ATOM 1594 H ILE A 106 24.511 -5.005 15.841 1.00 0.00 H ATOM 1595 N ILE A 107 28.285 -3.628 17.272 1.00 9.18 N ATOM 1596 CA ILE A 107 28.804 -3.018 18.501 1.00 8.92 C ATOM 1597 C ILE A 107 29.460 -1.701 18.112 1.00 8.30 C ATOM 1598 O ILE A 107 30.403 -1.700 17.301 1.00 8.94 O ATOM 1599 CB ILE A 107 29.792 -3.916 19.270 1.00 9.20 C ATOM 1600 CG1 ILE A 107 29.138 -5.251 19.640 1.00 9.19 C ATOM 1601 CG2 ILE A 107 30.319 -3.174 20.524 1.00 9.12 C ATOM 1602 CD1 ILE A 107 30.082 -6.247 20.226 1.00 11.01 C ATOM 1603 HA ILE A 107 27.973 -2.864 19.189 1.00 0.00 H ATOM 1604 HB ILE A 107 30.642 -4.138 18.625 1.00 0.00 H ATOM 1605 HG12 ILE A 107 28.349 -5.057 20.367 1.00 0.00 H ATOM 1606 HG13 ILE A 107 28.702 -5.681 18.738 1.00 0.00 H ATOM 1607 HD11 ILE A 107 30.872 -6.463 19.507 1.00 0.00 H ATOM 1608 HD12 ILE A 107 30.520 -5.839 21.137 1.00 0.00 H ATOM 1609 HD13 ILE A 107 29.541 -7.164 20.460 1.00 0.00 H ATOM 1610 HG21 ILE A 107 30.829 -2.261 20.217 1.00 0.00 H ATOM 1611 HG22 ILE A 107 29.481 -2.923 21.175 1.00 0.00 H ATOM 1612 HG23 ILE A 107 31.016 -3.818 21.060 1.00 0.00 H ATOM 1613 H ILE A 107 28.945 -3.808 16.489 1.00 0.00 H ATOM 1614 N VAL A 108 28.928 -0.595 18.610 1.00 8.85 N ATOM 1615 CA VAL A 108 29.435 0.721 18.316 1.00 8.60 C ATOM 1616 C VAL A 108 29.862 1.420 19.590 1.00 8.30 C ATOM 1617 O VAL A 108 29.313 1.164 20.653 1.00 9.50 O ATOM 1618 CB VAL A 108 28.397 1.598 17.562 1.00 9.61 C ATOM 1619 CG1 VAL A 108 28.111 0.969 16.210 1.00 10.76 C ATOM 1620 CG2 VAL A 108 27.131 1.801 18.369 1.00 10.36 C ATOM 1621 HA VAL A 108 30.297 0.590 17.662 1.00 0.00 H ATOM 1622 HB VAL A 108 28.816 2.593 17.412 1.00 0.00 H ATOM 1623 HG11 VAL A 108 29.035 0.913 15.634 1.00 0.00 H ATOM 1624 HG12 VAL A 108 27.710 -0.034 16.355 1.00 0.00 H ATOM 1625 HG13 VAL A 108 27.383 1.578 15.674 1.00 0.00 H ATOM 1626 HG21 VAL A 108 26.674 0.833 18.575 1.00 0.00 H ATOM 1627 HG22 VAL A 108 27.376 2.296 19.309 1.00 0.00 H ATOM 1628 HG23 VAL A 108 26.435 2.420 17.802 1.00 0.00 H ATOM 1629 H VAL A 108 28.107 -0.681 19.242 1.00 0.00 H ATOM 1630 N ALA A 109 30.831 2.316 19.470 1.00 8.02 N ATOM 1631 CA ALA A 109 31.198 3.187 20.577 1.00 8.99 C ATOM 1632 C ALA A 109 30.435 4.490 20.434 1.00 8.45 C ATOM 1633 O ALA A 109 30.384 5.026 19.320 1.00 9.51 O ATOM 1634 CB ALA A 109 32.706 3.474 20.580 1.00 9.34 C ATOM 1635 HA ALA A 109 30.948 2.694 21.516 1.00 0.00 H ATOM 1636 HB1 ALA A 109 33.253 2.536 20.678 1.00 0.00 H ATOM 1637 HB2 ALA A 109 32.984 3.962 19.646 1.00 0.00 H ATOM 1638 HB3 ALA A 109 32.949 4.127 21.418 1.00 0.00 H ATOM 1639 H ALA A 109 31.340 2.399 18.567 1.00 0.00 H ATOM 1640 N CYS A 110 29.902 5.036 21.526 1.00 8.39 N ATOM 1641 CA CYS A 110 29.144 6.280 21.491 1.00 9.00 C ATOM 1642 C CYS A 110 29.772 7.337 22.386 1.00 9.69 C ATOM 1643 O CYS A 110 30.319 7.043 23.447 1.00 9.52 O ATOM 1644 CB CYS A 110 27.693 6.027 21.914 1.00 10.81 C ATOM 1645 SG CYS A 110 26.862 4.803 20.869 1.00 11.13 S ATOM 1646 HA CYS A 110 29.160 6.653 20.467 1.00 0.00 H ATOM 1647 HB2 CYS A 110 27.144 6.967 21.855 1.00 0.00 H ATOM 1648 HB3 CYS A 110 27.687 5.668 22.943 1.00 0.00 H ATOM 1649 H CYS A 110 30.032 4.556 22.439 1.00 0.00 H ATOM 1650 N GLU A 111 29.663 8.593 21.954 1.00 10.19 N ATOM 1651 CA GLU A 111 30.196 9.741 22.683 1.00 10.35 C ATOM 1652 C GLU A 111 29.371 10.993 22.400 1.00 10.49 C ATOM 1653 O GLU A 111 28.651 11.063 21.408 1.00 11.68 O ATOM 1654 CB GLU A 111 31.654 10.050 22.295 1.00 9.55 C ATOM 1655 CG GLU A 111 32.652 8.977 22.732 1.00 10.82 C ATOM 1656 CD GLU A 111 34.081 9.363 22.538 1.00 13.29 C ATOM 1657 OE1 GLU A 111 34.911 8.972 23.381 1.00 19.00 O ATOM 1658 OE2 GLU A 111 34.414 9.939 21.492 1.00 15.79 O ATOM 1659 HA GLU A 111 30.150 9.476 23.739 1.00 0.00 H ATOM 1660 HB2 GLU A 111 31.708 10.148 21.211 1.00 0.00 H ATOM 1661 HB3 GLU A 111 31.940 10.994 22.758 1.00 0.00 H ATOM 1662 HG2 GLU A 111 32.493 8.771 23.790 1.00 0.00 H ATOM 1663 HG3 GLU A 111 32.459 8.073 22.154 1.00 0.00 H ATOM 1664 H GLU A 111 29.174 8.764 21.052 1.00 0.00 H ATOM 1665 N GLY A 112 29.543 11.984 23.275 1.00 11.36 N ATOM 1666 CA GLY A 112 28.992 13.311 23.043 1.00 12.21 C ATOM 1667 C GLY A 112 27.611 13.599 23.588 1.00 14.37 C ATOM 1668 O GLY A 112 26.990 12.785 24.249 1.00 12.97 O ATOM 1669 HA3 GLY A 112 28.957 13.466 21.965 1.00 0.00 H ATOM 1670 HA2 GLY A 112 29.677 14.032 23.490 1.00 0.00 H ATOM 1671 H GLY A 112 30.084 11.804 24.145 1.00 0.00 H ATOM 1672 N ASN A 113 27.111 14.783 23.238 1.00 16.32 N ATOM 1673 CA ASN A 113 25.764 15.237 23.558 1.00 18.45 C ATOM 1674 C ASN A 113 25.262 15.978 22.306 1.00 18.48 C ATOM 1675 O ASN A 113 25.722 17.105 22.057 1.00 20.50 O ATOM 1676 CB ASN A 113 25.771 16.158 24.769 1.00 19.92 C ATOM 1677 CG ASN A 113 24.393 16.389 25.316 1.00 23.02 C ATOM 1678 OD1 ASN A 113 23.433 16.387 24.567 1.00 25.27 O ATOM 1679 ND2 ASN A 113 24.285 16.532 26.635 1.00 27.44 N ATOM 1680 HA ASN A 113 25.114 14.401 23.814 1.00 0.00 H ATOM 1681 HB2 ASN A 113 26.387 15.709 25.548 1.00 0.00 H ATOM 1682 HB3 ASN A 113 26.198 17.117 24.478 1.00 0.00 H ATOM 1683 HD22 ASN A 113 25.138 16.527 27.230 1.00 0.00 H ATOM 1684 HD21 ASN A 113 23.348 16.649 27.070 1.00 0.00 H ATOM 1685 H ASN A 113 27.724 15.428 22.699 1.00 0.00 H ATOM 1686 N PRO A 114 24.363 15.381 21.518 1.00 19.21 N ATOM 1687 CA PRO A 114 23.721 14.098 21.798 1.00 18.54 C ATOM 1688 C PRO A 114 24.714 12.931 21.778 1.00 16.84 C ATOM 1689 O PRO A 114 25.806 13.009 21.189 1.00 16.88 O ATOM 1690 CB PRO A 114 22.715 13.970 20.636 1.00 19.64 C ATOM 1691 CG PRO A 114 23.378 14.698 19.535 1.00 20.21 C ATOM 1692 CD PRO A 114 23.902 15.908 20.217 1.00 19.66 C ATOM 1693 HA PRO A 114 23.271 14.064 22.790 1.00 0.00 H ATOM 1694 HD3 PRO A 114 24.727 16.348 19.657 1.00 0.00 H ATOM 1695 HD2 PRO A 114 23.118 16.653 20.351 1.00 0.00 H ATOM 1696 HG3 PRO A 114 22.666 14.964 18.753 1.00 0.00 H ATOM 1697 HG2 PRO A 114 24.186 14.108 19.103 1.00 0.00 H ATOM 1698 HB2 PRO A 114 22.553 12.925 20.372 1.00 0.00 H ATOM 1699 HB3 PRO A 114 21.761 14.431 20.892 1.00 0.00 H ATOM 1700 N TYR A 115 24.332 11.869 22.462 1.00 15.01 N ATOM 1701 CA TYR A 115 25.148 10.658 22.579 1.00 13.16 C ATOM 1702 C TYR A 115 24.905 9.842 21.341 1.00 12.52 C ATOM 1703 O TYR A 115 23.835 9.252 21.182 1.00 13.89 O ATOM 1704 CB TYR A 115 24.706 9.868 23.790 1.00 14.13 C ATOM 1705 CG TYR A 115 25.704 8.859 24.346 1.00 11.74 C ATOM 1706 CD1 TYR A 115 26.977 9.244 24.720 1.00 11.52 C ATOM 1707 CD2 TYR A 115 25.320 7.547 24.557 1.00 11.71 C ATOM 1708 CE1 TYR A 115 27.852 8.333 25.283 1.00 11.25 C ATOM 1709 CE2 TYR A 115 26.201 6.639 25.124 1.00 11.43 C ATOM 1710 CZ TYR A 115 27.458 7.050 25.498 1.00 11.53 C ATOM 1711 OH TYR A 115 28.337 6.187 26.119 1.00 11.64 O ATOM 1712 HA TYR A 115 26.204 10.907 22.686 1.00 0.00 H ATOM 1713 HB3 TYR A 115 23.801 9.324 23.519 1.00 0.00 H ATOM 1714 HB2 TYR A 115 24.477 10.579 24.584 1.00 0.00 H ATOM 1715 HD2 TYR A 115 24.318 7.225 24.275 1.00 0.00 H ATOM 1716 HE2 TYR A 115 25.898 5.603 25.273 1.00 0.00 H ATOM 1717 HE1 TYR A 115 28.860 8.645 25.555 1.00 0.00 H ATOM 1718 HD1 TYR A 115 27.295 10.276 24.570 1.00 0.00 H ATOM 1719 HH TYR A 115 27.939 5.866 26.967 1.00 0.00 H ATOM 1720 H TYR A 115 23.409 11.893 22.940 1.00 0.00 H ATOM 1721 N VAL A 116 25.903 9.800 20.446 1.00 11.42 N ATOM 1722 CA VAL A 116 25.758 9.177 19.135 1.00 12.29 C ATOM 1723 C VAL A 116 26.947 8.271 18.787 1.00 11.70 C ATOM 1724 O VAL A 116 27.992 8.368 19.413 1.00 10.90 O ATOM 1725 CB VAL A 116 25.549 10.236 18.010 1.00 13.26 C ATOM 1726 CG1 VAL A 116 24.219 10.953 18.197 1.00 14.04 C ATOM 1727 CG2 VAL A 116 26.679 11.210 18.011 1.00 13.30 C ATOM 1728 HA VAL A 116 24.865 8.554 19.195 1.00 0.00 H ATOM 1729 HB VAL A 116 25.529 9.729 17.046 1.00 0.00 H ATOM 1730 HG11 VAL A 116 23.407 10.227 18.157 1.00 0.00 H ATOM 1731 HG12 VAL A 116 24.211 11.455 19.164 1.00 0.00 H ATOM 1732 HG13 VAL A 116 24.089 11.689 17.403 1.00 0.00 H ATOM 1733 HG21 VAL A 116 26.721 11.714 18.976 1.00 0.00 H ATOM 1734 HG22 VAL A 116 27.615 10.679 17.836 1.00 0.00 H ATOM 1735 HG23 VAL A 116 26.524 11.946 17.222 1.00 0.00 H ATOM 1736 H VAL A 116 26.817 10.229 20.697 1.00 0.00 H ATOM 1737 N PRO A 117 26.785 7.411 17.784 1.00 11.56 N ATOM 1738 CA PRO A 117 27.901 6.541 17.381 1.00 10.60 C ATOM 1739 C PRO A 117 29.077 7.314 16.834 1.00 10.26 C ATOM 1740 O PRO A 117 28.867 8.195 15.984 1.00 11.16 O ATOM 1741 CB PRO A 117 27.277 5.611 16.338 1.00 11.04 C ATOM 1742 CG PRO A 117 25.787 5.690 16.605 1.00 11.98 C ATOM 1743 CD PRO A 117 25.555 7.115 17.033 1.00 12.37 C ATOM 1744 HA PRO A 117 28.326 5.998 18.225 1.00 0.00 H ATOM 1745 HD3 PRO A 117 25.447 7.775 16.172 1.00 0.00 H ATOM 1746 HD2 PRO A 117 24.673 7.200 17.667 1.00 0.00 H ATOM 1747 HG3 PRO A 117 25.500 4.998 17.397 1.00 0.00 H ATOM 1748 HG2 PRO A 117 25.221 5.462 15.702 1.00 0.00 H ATOM 1749 HB2 PRO A 117 27.507 5.953 15.329 1.00 0.00 H ATOM 1750 HB3 PRO A 117 27.638 4.591 16.465 1.00 0.00 H ATOM 1751 N VAL A 118 30.282 6.982 17.291 1.00 9.72 N ATOM 1752 CA VAL A 118 31.494 7.600 16.795 1.00 9.73 C ATOM 1753 C VAL A 118 32.554 6.592 16.331 1.00 8.99 C ATOM 1754 O VAL A 118 33.500 6.978 15.647 1.00 10.14 O ATOM 1755 CB VAL A 118 32.094 8.604 17.814 1.00 10.01 C ATOM 1756 CG1 VAL A 118 31.183 9.774 18.044 1.00 10.38 C ATOM 1757 CG2 VAL A 118 32.400 7.885 19.131 1.00 10.38 C ATOM 1758 HA VAL A 118 31.188 8.155 15.908 1.00 0.00 H ATOM 1759 HB VAL A 118 33.021 8.998 17.398 1.00 0.00 H ATOM 1760 HG11 VAL A 118 31.021 10.297 17.102 1.00 0.00 H ATOM 1761 HG12 VAL A 118 30.229 9.419 18.433 1.00 0.00 H ATOM 1762 HG13 VAL A 118 31.640 10.453 18.764 1.00 0.00 H ATOM 1763 HG21 VAL A 118 31.480 7.465 19.537 1.00 0.00 H ATOM 1764 HG22 VAL A 118 33.116 7.084 18.948 1.00 0.00 H ATOM 1765 HG23 VAL A 118 32.821 8.596 19.842 1.00 0.00 H ATOM 1766 H VAL A 118 30.356 6.254 18.030 1.00 0.00 H ATOM 1767 N HIS A 119 32.409 5.300 16.652 1.00 9.07 N ATOM 1768 CA HIS A 119 33.339 4.288 16.136 1.00 8.49 C ATOM 1769 C HIS A 119 32.573 2.994 15.978 1.00 9.06 C ATOM 1770 O HIS A 119 31.622 2.716 16.742 1.00 10.11 O ATOM 1771 CB HIS A 119 34.524 4.002 17.051 1.00 10.13 C ATOM 1772 CG HIS A 119 35.319 5.210 17.404 1.00 11.58 C ATOM 1773 ND1 HIS A 119 36.105 5.885 16.489 1.00 13.60 N ATOM 1774 CD2 HIS A 119 35.447 5.874 18.574 1.00 12.09 C ATOM 1775 CE1 HIS A 119 36.662 6.925 17.084 1.00 13.56 C ATOM 1776 NE2 HIS A 119 36.291 6.933 18.350 1.00 14.27 N ATOM 1777 HA HIS A 119 33.739 4.679 15.201 1.00 0.00 H ATOM 1778 HB2 HIS A 119 34.147 3.558 17.972 1.00 0.00 H ATOM 1779 HB3 HIS A 119 35.182 3.292 16.549 1.00 0.00 H ATOM 1780 HD2 HIS A 119 34.969 5.617 19.519 1.00 0.00 H ATOM 1781 HE1 HIS A 119 37.318 7.654 16.609 1.00 0.00 H ATOM 1782 H HIS A 119 31.628 5.010 17.274 1.00 0.00 H ATOM 1783 N PHE A 120 32.961 2.176 15.009 1.00 8.92 N ATOM 1784 CA PHE A 120 32.407 0.855 14.822 1.00 9.32 C ATOM 1785 C PHE A 120 33.376 -0.146 15.409 1.00 9.25 C ATOM 1786 O PHE A 120 34.526 -0.249 14.978 1.00 10.83 O ATOM 1787 CB PHE A 120 32.175 0.535 13.324 1.00 9.23 C ATOM 1788 CG PHE A 120 31.359 -0.706 13.102 1.00 10.07 C ATOM 1789 CD1 PHE A 120 29.987 -0.626 12.914 1.00 11.46 C ATOM 1790 CD2 PHE A 120 31.939 -1.950 13.128 1.00 10.67 C ATOM 1791 CE1 PHE A 120 29.213 -1.764 12.771 1.00 12.63 C ATOM 1792 CE2 PHE A 120 31.170 -3.104 12.986 1.00 11.30 C ATOM 1793 CZ PHE A 120 29.819 -2.980 12.803 1.00 11.44 C ATOM 1794 HA PHE A 120 31.438 0.804 15.319 1.00 0.00 H ATOM 1795 HB2 PHE A 120 31.656 1.377 12.866 1.00 0.00 H ATOM 1796 HB3 PHE A 120 33.145 0.403 12.844 1.00 0.00 H ATOM 1797 HD2 PHE A 120 33.017 -2.037 13.262 1.00 0.00 H ATOM 1798 HE2 PHE A 120 31.637 -4.089 13.020 1.00 0.00 H ATOM 1799 HZ PHE A 120 29.215 -3.879 12.680 1.00 0.00 H ATOM 1800 HE1 PHE A 120 28.134 -1.686 12.635 1.00 0.00 H ATOM 1801 HD1 PHE A 120 29.509 0.353 12.878 1.00 0.00 H ATOM 1802 H PHE A 120 33.699 2.501 14.352 1.00 0.00 H ATOM 1803 N ASP A 121 32.937 -0.849 16.448 1.00 8.94 N ATOM 1804 CA ASP A 121 33.854 -1.729 17.177 1.00 9.29 C ATOM 1805 C ASP A 121 33.887 -3.160 16.680 1.00 10.09 C ATOM 1806 O ASP A 121 34.984 -3.737 16.552 1.00 12.08 O ATOM 1807 CB ASP A 121 33.525 -1.739 18.660 1.00 9.38 C ATOM 1808 CG ASP A 121 34.723 -2.088 19.540 1.00 9.37 C ATOM 1809 OD1 ASP A 121 35.803 -1.494 19.300 1.00 10.44 O ATOM 1810 OD2 ASP A 121 34.628 -2.883 20.497 1.00 10.13 O ATOM 1811 HA ASP A 121 34.842 -1.307 16.996 1.00 0.00 H ATOM 1812 HB2 ASP A 121 33.164 -0.750 18.942 1.00 0.00 H ATOM 1813 HB3 ASP A 121 32.740 -2.474 18.836 1.00 0.00 H ATOM 1814 H ASP A 121 31.943 -0.774 16.744 1.00 0.00 H ATOM 1815 N ALA A 122 32.724 -3.740 16.392 1.00 10.62 N ATOM 1816 CA ALA A 122 32.666 -5.144 16.012 1.00 12.04 C ATOM 1817 C ALA A 122 31.255 -5.527 15.589 1.00 11.58 C ATOM 1818 O ALA A 122 30.301 -4.799 15.833 1.00 11.21 O ATOM 1819 CB ALA A 122 33.084 -6.019 17.173 1.00 13.82 C ATOM 1820 HA ALA A 122 33.347 -5.294 15.175 1.00 0.00 H ATOM 1821 HB1 ALA A 122 34.104 -5.770 17.465 1.00 0.00 H ATOM 1822 HB2 ALA A 122 32.412 -5.849 18.015 1.00 0.00 H ATOM 1823 HB3 ALA A 122 33.035 -7.066 16.873 1.00 0.00 H ATOM 1824 H ALA A 122 31.847 -3.184 16.439 1.00 0.00 H ATOM 1825 N SER A 123 31.137 -6.720 15.009 1.00 13.77 N ATOM 1826 CA SER A 123 29.846 -7.323 14.730 1.00 15.38 C ATOM 1827 C SER A 123 29.888 -8.706 15.345 1.00 15.62 C ATOM 1828 O SER A 123 30.907 -9.363 15.300 1.00 15.82 O ATOM 1829 CB SER A 123 29.617 -7.424 13.226 1.00 16.64 C ATOM 1830 OG SER A 123 30.530 -8.339 12.642 1.00 21.24 O ATOM 1831 HA SER A 123 29.033 -6.725 15.141 1.00 0.00 H ATOM 1832 HB2 SER A 123 29.757 -6.441 12.775 1.00 0.00 H ATOM 1833 HB3 SER A 123 28.599 -7.766 13.041 1.00 0.00 H ATOM 1834 HG SER A 123 30.403 -9.233 13.047 1.00 0.00 H ATOM 1835 H SER A 123 32.000 -7.238 14.747 1.00 0.00 H ATOM 1836 N VAL A 124 28.787 -9.147 15.913 1.00 15.28 N ATOM 1837 CA VAL A 124 28.754 -10.478 16.519 1.00 16.60 C ATOM 1838 C VAL A 124 27.459 -11.222 16.197 1.00 16.17 C ATOM 1839 O VAL A 124 26.548 -10.672 15.592 1.00 17.56 O ATOM 1840 CB VAL A 124 28.917 -10.402 18.062 1.00 17.05 C ATOM 1841 CG1 VAL A 124 30.241 -9.766 18.422 1.00 18.54 C ATOM 1842 CG2 VAL A 124 27.775 -9.633 18.706 1.00 18.12 C ATOM 1843 HA VAL A 124 29.592 -11.027 16.090 1.00 0.00 H ATOM 1844 OXT VAL A 124 27.340 -12.395 16.586 1.00 18.85 O ATOM 1845 HB VAL A 124 28.895 -11.421 18.447 1.00 0.00 H ATOM 1846 HG11 VAL A 124 31.054 -10.363 18.008 1.00 0.00 H ATOM 1847 HG12 VAL A 124 30.282 -8.758 18.010 1.00 0.00 H ATOM 1848 HG13 VAL A 124 30.338 -9.721 19.507 1.00 0.00 H ATOM 1849 HG21 VAL A 124 27.754 -8.618 18.310 1.00 0.00 H ATOM 1850 HG22 VAL A 124 26.832 -10.131 18.482 1.00 0.00 H ATOM 1851 HG23 VAL A 124 27.923 -9.601 19.785 1.00 0.00 H ATOM 1852 H VAL A 124 27.937 -8.548 15.931 1.00 0.00 H TER 1853 VAL A 124 HETATM 1854 O HOH 1 43.626 6.603 18.822 1.00 30.79 O HETATM 1855 O HOH 2 14.810 -13.194 14.627 1.00 36.42 O HETATM 1856 O HOH 3 17.148 -12.194 13.885 1.00 35.54 O HETATM 1857 O HOH 4 17.172 -9.926 15.213 1.00 33.95 O HETATM 1858 O HOH 5 16.272 -7.181 12.767 1.00 34.47 O HETATM 1859 O HOH 6 19.217 -7.954 9.930 1.00 26.59 O HETATM 1860 O HOH 7 17.797 -6.234 8.788 1.00 33.60 O HETATM 1861 O HOH 8 15.941 -3.739 10.867 1.00 34.92 O HETATM 1862 O HOH 9 13.196 0.268 12.012 1.00 42.79 O HETATM 1863 O HOH 10 17.658 -2.033 12.761 1.00 27.43 O HETATM 1864 O HOH 11 16.650 0.127 9.584 1.00 20.82 O HETATM 1865 O HOH 12 18.122 1.238 5.451 1.00 26.92 O HETATM 1866 O HOH 13 17.970 -3.012 5.892 1.00 43.16 O HETATM 1867 O HOH 14 19.101 -8.298 5.444 1.00 34.60 O HETATM 1868 O HOH 15 22.387 -10.186 4.867 1.00 42.31 O HETATM 1869 O HOH 16 25.035 -12.912 2.798 1.00 37.03 O HETATM 1870 O HOH 17 24.173 -13.807 7.995 1.00 32.35 O HETATM 1871 O HOH 18 24.719 -13.736 12.878 1.00 42.78 O HETATM 1872 O HOH 19 26.675 -14.121 14.261 1.00 28.65 O HETATM 1873 O HOH 20 24.227 -12.003 15.294 1.00 31.82 O HETATM 1874 O HOH 21 20.912 18.027 18.826 1.00 41.05 O HETATM 1875 O HOH 22 21.713 -12.397 26.646 1.00 28.69 O HETATM 1876 O HOH 23 22.077 -9.702 27.896 1.00 20.15 O HETATM 1877 O HOH 24 22.985 -10.149 24.673 1.00 44.58 O HETATM 1878 O HOH 25 22.775 20.219 23.297 1.00 43.83 O HETATM 1879 O HOH 26 22.421 -8.652 21.086 1.00 22.25 O HETATM 1880 O HOH 27 20.124 -9.953 21.078 1.00 43.12 O HETATM 1881 O HOH 28 18.291 -3.397 18.050 1.00 19.26 O HETATM 1882 O HOH 29 17.894 0.224 16.849 1.00 16.56 O HETATM 1883 O HOH 30 17.401 7.022 17.261 1.00 22.71 O HETATM 1884 O HOH 31 18.503 9.617 16.812 1.00 25.37 O HETATM 1885 O HOH 32 16.427 11.135 17.260 1.00 35.40 O HETATM 1886 O HOH 33 14.029 3.607 10.895 1.00 35.62 O HETATM 1887 O HOH 34 43.637 -1.658 14.820 1.00 41.40 O HETATM 1888 O HOH 35 25.212 -3.832 30.170 1.00 28.82 O HETATM 1889 O HOH 36 25.949 -3.548 32.353 1.00 30.68 O HETATM 1890 O HOH 37 27.976 -2.929 31.242 1.00 40.06 O HETATM 1891 O HOH 38 28.436 -1.342 33.503 1.00 35.23 O HETATM 1892 O HOH 39 31.320 -1.001 32.164 1.00 45.94 O HETATM 1893 O HOH 40 31.718 -1.662 29.443 1.00 22.42 O HETATM 1894 O HOH 41 31.750 -3.470 30.428 1.00 28.60 O HETATM 1895 O HOH 42 30.888 -6.178 28.932 1.00 15.67 O HETATM 1896 O HOH 43 32.347 -6.831 24.992 1.00 11.18 O HETATM 1897 O HOH 44 33.252 -4.926 21.760 1.00 10.27 O HETATM 1898 O HOH 45 29.133 -9.372 22.673 1.00 14.01 O HETATM 1899 O HOH 46 30.469 -13.444 17.430 1.00 32.41 O HETATM 1900 O HOH 47 33.352 19.769 15.859 1.00 45.57 O HETATM 1901 O HOH 48 33.601 -9.968 16.382 1.00 28.18 O HETATM 1902 O HOH 49 33.997 -8.055 14.538 1.00 25.59 O HETATM 1903 O HOH 50 38.480 -6.221 14.466 1.00 43.30 O HETATM 1904 O HOH 51 40.532 -5.533 12.622 1.00 45.96 O HETATM 1905 O HOH 52 42.264 -3.201 11.143 1.00 37.69 O HETATM 1906 O HOH 53 45.153 -3.647 11.760 1.00 43.72 O HETATM 1907 O HOH 54 46.180 -5.053 8.885 1.00 36.09 O HETATM 1908 O HOH 55 44.205 -6.140 9.289 1.00 41.50 O HETATM 1909 O HOH 56 45.440 -5.830 5.081 1.00 36.96 O HETATM 1910 O HOH 57 47.176 -4.107 6.931 1.00 41.12 O HETATM 1911 O HOH 58 47.743 -1.720 7.262 1.00 39.52 O HETATM 1912 O HOH 59 46.641 -1.333 4.012 1.00 33.09 O HETATM 1913 O HOH 60 46.825 -7.483 2.885 1.00 43.23 O HETATM 1914 O HOH 61 42.504 -13.499 5.031 1.00 45.42 O HETATM 1915 O HOH 62 40.151 -10.305 1.767 1.00 40.48 O HETATM 1916 O HOH 63 34.986 -9.462 3.696 1.00 22.65 O HETATM 1917 O HOH 64 33.399 21.245 7.216 1.00 31.80 O HETATM 1918 O HOH 65 30.834 -11.111 8.585 1.00 41.95 O HETATM 1919 O HOH 66 30.201 -10.113 6.839 1.00 35.40 O HETATM 1920 O HOH 67 31.780 -6.423 11.338 1.00 37.83 O HETATM 1921 O HOH 68 33.989 -4.649 12.488 1.00 35.21 O HETATM 1922 O HOH 69 34.510 -1.212 10.766 1.00 16.83 O HETATM 1923 O HOH 70 35.752 -0.102 12.531 1.00 29.85 O HETATM 1924 O HOH 71 38.301 -1.089 11.529 1.00 34.82 O HETATM 1925 O HOH 72 37.986 -3.071 13.346 1.00 32.98 O HETATM 1926 O HOH 73 37.498 -2.401 16.458 1.00 26.81 O HETATM 1927 O HOH 74 39.822 -3.152 17.115 1.00 33.09 O HETATM 1928 O HOH 75 40.008 -1.143 19.490 1.00 27.11 O HETATM 1929 O HOH 76 41.941 -1.954 20.792 1.00 40.96 O HETATM 1930 O HOH 77 43.698 1.138 21.996 1.00 40.85 O HETATM 1931 O HOH 78 41.480 2.436 20.559 1.00 28.99 O HETATM 1932 O HOH 79 43.428 3.068 16.686 1.00 40.09 O HETATM 1933 O HOH 80 38.558 8.929 14.105 1.00 27.00 O HETATM 1934 O HOH 81 36.373 10.167 14.877 1.00 29.54 O HETATM 1935 O HOH 82 36.211 10.345 17.488 1.00 34.84 O HETATM 1936 O HOH 83 34.123 11.466 19.374 1.00 20.75 O HETATM 1937 O HOH 84 32.192 13.303 19.779 1.00 19.81 O HETATM 1938 O HOH 85 32.788 15.763 18.971 1.00 29.82 O HETATM 1939 O HOH 86 33.848 15.782 16.479 1.00 25.09 O HETATM 1940 O HOH 87 36.320 14.536 16.484 1.00 31.55 O HETATM 1941 O HOH 88 36.715 12.861 14.341 1.00 28.97 O HETATM 1942 O HOH 89 36.437 14.127 12.117 1.00 35.33 O HETATM 1943 O HOH 90 37.412 13.797 9.658 1.00 29.78 O HETATM 1944 O HOH 91 39.477 12.097 10.140 1.00 36.91 O HETATM 1945 O HOH 92 40.408 11.962 12.381 1.00 38.34 O HETATM 1946 O HOH 93 41.091 8.046 9.376 1.00 45.16 O HETATM 1947 O HOH 94 39.291 8.805 6.577 1.00 45.84 O HETATM 1948 O HOH 95 42.260 5.281 5.175 1.00 39.49 O HETATM 1949 O HOH 96 41.027 -0.855 9.336 1.00 29.61 O HETATM 1950 O HOH 97 39.651 4.538 12.072 1.00 33.84 O HETATM 1951 O HOH 98 33.900 6.134 12.538 1.00 14.03 O HETATM 1952 O HOH 99 34.087 8.861 13.888 1.00 16.67 O HETATM 1953 O HOH 100 27.100 8.995 13.958 1.00 14.45 O HETATM 1954 O HOH 101 24.837 10.564 13.837 1.00 18.47 O HETATM 1955 O HOH 102 24.783 13.131 15.190 1.00 22.68 O HETATM 1956 O HOH 103 26.207 14.841 16.842 1.00 23.94 O HETATM 1957 O HOH 104 28.148 15.878 15.859 1.00 39.68 O HETATM 1958 O HOH 105 27.458 16.057 13.329 1.00 36.34 O HETATM 1959 O HOH 106 27.551 -15.583 10.760 1.00 38.28 O HETATM 1960 O HOH 107 30.200 -14.901 10.521 1.00 23.45 O HETATM 1961 O HOH 108 30.910 16.834 7.551 1.00 43.13 O HETATM 1962 O HOH 109 21.739 1.452 -6.579 1.00 30.57 O HETATM 1963 O HOH 110 31.190 13.880 6.257 1.00 28.29 O HETATM 1964 O HOH 111 18.263 -2.038 -3.673 1.00 37.09 O HETATM 1965 O HOH 112 29.090 12.431 6.992 1.00 23.40 O HETATM 1966 O HOH 113 26.588 13.832 10.477 1.00 47.73 O HETATM 1967 O HOH 114 25.047 14.699 12.970 1.00 35.21 O HETATM 1968 O HOH 115 23.599 15.781 10.171 1.00 33.06 O HETATM 1969 O HOH 116 22.839 12.786 10.696 1.00 27.01 O HETATM 1970 O HOH 117 23.864 13.022 8.031 1.00 39.24 O HETATM 1971 O HOH 118 23.830 8.041 7.435 1.00 25.71 O HETATM 1972 O HOH 119 21.904 6.590 7.123 1.00 23.08 O HETATM 1973 O HOH 120 23.822 6.031 4.579 1.00 19.86 O HETATM 1974 O HOH 121 23.507 5.103 1.258 1.00 21.95 O HETATM 1975 O HOH 122 30.681 -10.834 -2.134 1.00 22.53 O HETATM 1976 O HOH 123 20.232 0.799 -3.815 1.00 33.03 O HETATM 1977 O HOH 124 21.634 -2.116 -4.085 1.00 40.59 O HETATM 1978 O HOH 125 25.262 -0.282 -3.873 1.00 41.20 O HETATM 1979 O HOH 126 26.912 -3.122 -5.135 1.00 29.00 O HETATM 1980 O HOH 127 28.963 -1.268 -5.475 1.00 36.87 O HETATM 1981 O HOH 128 29.589 1.819 -4.621 1.00 38.68 O HETATM 1982 O HOH 129 31.055 4.766 -4.241 1.00 36.57 O HETATM 1983 O HOH 130 33.940 4.354 -6.105 1.00 38.49 O HETATM 1984 O HOH 131 34.676 7.395 -6.238 1.00 34.87 O HETATM 1985 O HOH 132 36.499 9.215 -5.012 1.00 40.88 O HETATM 1986 O HOH 133 39.834 7.207 -0.586 1.00 33.64 O HETATM 1987 O HOH 134 43.550 5.266 -3.475 1.00 30.19 O HETATM 1988 O HOH 135 45.156 7.656 -4.515 1.00 37.79 O HETATM 1989 O HOH 136 48.181 7.511 -4.461 1.00 42.15 O HETATM 1990 O HOH 137 50.481 6.628 -6.224 1.00 36.47 O HETATM 1991 O HOH 138 49.881 8.614 0.029 1.00 30.36 O HETATM 1992 O HOH 139 48.505 10.061 2.778 1.00 44.62 O HETATM 1993 O HOH 140 47.589 10.634 5.403 1.00 37.63 O HETATM 1994 O HOH 141 41.155 17.376 1.044 1.00 42.12 O HETATM 1995 O HOH 142 42.288 16.353 5.478 1.00 36.24 O HETATM 1996 O HOH 143 40.252 15.491 7.841 1.00 35.62 O HETATM 1997 O HOH 144 37.387 18.325 7.660 1.00 47.59 O HETATM 1998 O HOH 145 37.534 -12.097 6.017 1.00 39.96 O HETATM 1999 O HOH 146 34.154 18.718 6.216 1.00 40.10 O HETATM 2000 O HOH 147 36.473 12.818 3.740 1.00 37.19 O HETATM 2001 O HOH 148 29.044 6.210 -1.330 1.00 31.59 O HETATM 2002 O HOH 149 26.885 5.277 -0.558 1.00 28.00 O HETATM 2003 O HOH 150 24.927 -3.198 -1.469 1.00 38.23 O HETATM 2004 O HOH 151 24.383 -5.610 0.243 1.00 30.99 O HETATM 2005 O HOH 152 29.130 -3.287 -8.905 1.00 27.64 O HETATM 2006 O HOH 153 31.614 -0.698 -11.955 1.00 34.16 O HETATM 2007 O HOH 154 35.231 2.871 -10.177 1.00 47.41 O HETATM 2008 O HOH 155 35.478 -2.265 -8.487 1.00 38.05 O HETATM 2009 O HOH 156 34.059 -6.263 -11.873 1.00 43.13 O HETATM 2010 O HOH 157 32.994 -8.265 -10.100 1.00 28.01 O HETATM 2011 O HOH 158 13.274 6.871 11.187 1.00 43.92 O HETATM 2012 O HOH 159 36.607 -9.950 -4.356 1.00 29.10 O HETATM 2013 O HOH 160 34.332 -9.340 -3.128 1.00 20.26 O HETATM 2014 O HOH 161 17.186 4.515 3.343 1.00 28.42 O HETATM 2015 O HOH 162 34.938 -5.522 -3.326 1.00 18.64 O HETATM 2016 O HOH 163 38.153 -7.616 -4.832 1.00 29.44 O HETATM 2017 O HOH 164 44.510 -11.209 -3.194 1.00 38.83 O HETATM 2018 O HOH 165 45.712 -12.626 -6.108 1.00 47.71 O HETATM 2019 O HOH 166 45.659 -3.509 -6.801 1.00 30.83 O HETATM 2020 O HOH 167 40.628 -2.043 -6.570 1.00 39.93 O HETATM 2021 O HOH 168 38.922 0.722 -3.852 1.00 35.53 O HETATM 2022 O HOH 169 41.028 2.581 -3.763 1.00 40.13 O HETATM 2023 O HOH 170 51.845 0.442 -2.711 1.00 36.96 O HETATM 2024 O HOH 171 48.024 -1.335 -0.047 1.00 33.84 O HETATM 2025 O HOH 172 45.209 -0.551 15.988 1.00 46.07 O HETATM 2026 O HOH 173 44.155 -2.768 25.332 1.00 42.55 O HETATM 2027 O HOH 174 43.721 -0.464 24.644 1.00 34.61 O HETATM 2028 O HOH 175 41.032 -6.425 22.394 1.00 18.77 O HETATM 2029 O HOH 176 36.516 -9.756 17.788 1.00 33.98 O HETATM 2030 O HOH 177 35.845 -11.942 16.788 1.00 42.64 O HETATM 2031 O HOH 178 31.521 -11.370 13.467 1.00 30.22 O HETATM 2032 O HOH 179 43.232 -5.391 15.812 1.00 37.84 O HETATM 2033 O HOH 180 37.705 -0.453 20.879 1.00 11.67 O HETATM 2034 O HOH 181 36.822 2.162 20.097 1.00 16.27 O HETATM 2035 O HOH 182 35.531 1.019 18.088 1.00 14.54 O HETATM 2036 O HOH 183 36.020 3.369 22.502 1.00 16.10 O HETATM 2037 O HOH 184 35.093 5.792 21.914 1.00 14.15 O HETATM 2038 O HOH 185 37.257 7.401 23.004 1.00 20.75 O HETATM 2039 O HOH 186 36.067 6.171 25.546 1.00 17.05 O HETATM 2040 O HOH 187 30.811 4.545 29.271 1.00 19.01 O HETATM 2041 O HOH 188 28.428 3.592 29.446 1.00 29.36 O HETATM 2042 O HOH 189 29.245 2.494 30.845 1.00 34.71 O HETATM 2043 O HOH 190 31.012 2.263 32.736 1.00 40.79 O HETATM 2044 O HOH 191 26.321 2.508 33.231 1.00 33.69 O HETATM 2045 O HOH 192 25.516 0.617 31.612 1.00 19.26 O HETATM 2046 O HOH 193 28.130 -6.203 29.327 1.00 20.16 O HETATM 2047 O HOH 194 22.296 1.589 27.509 1.00 25.08 O HETATM 2048 O HOH 195 24.093 1.892 29.654 1.00 29.47 O HETATM 2049 O HOH 196 24.971 4.353 28.612 1.00 25.24 O HETATM 2050 O HOH 197 26.571 3.115 29.907 1.00 41.08 O HETATM 2051 O HOH 198 23.098 4.334 26.969 1.00 22.33 O HETATM 2052 O HOH 199 18.813 -0.966 26.803 1.00 15.66 O HETATM 2053 O HOH 200 16.882 1.546 21.210 1.00 25.88 O HETATM 2054 O HOH 201 20.449 6.490 21.689 1.00 22.52 O HETATM 2055 O HOH 202 21.444 9.091 22.435 1.00 23.17 O HETATM 2056 O HOH 203 22.132 12.348 24.325 1.00 21.46 O HETATM 2057 O HOH 204 19.359 14.206 19.620 1.00 38.44 O HETATM 2058 O HOH 205 20.466 10.299 18.775 1.00 26.80 O HETATM 2059 O HOH 206 22.429 8.238 19.111 1.00 18.28 O HETATM 2060 O HOH 207 22.092 13.661 15.791 1.00 28.21 O HETATM 2061 O HOH 208 21.120 12.751 13.211 1.00 24.80 O HETATM 2062 O HOH 209 24.702 17.125 16.792 1.00 34.08 O HETATM 2063 O HOH 210 27.289 14.526 19.501 1.00 19.22 O HETATM 2064 O HOH 211 29.541 12.892 19.267 1.00 16.76 O HETATM 2065 O HOH 212 30.477 14.168 16.871 1.00 19.33 O HETATM 2066 O HOH 213 29.728 16.768 17.971 1.00 43.17 O HETATM 2067 O HOH 214 28.255 17.118 19.826 1.00 26.65 O HETATM 2068 O HOH 215 29.288 16.814 22.619 1.00 24.72 O HETATM 2069 O HOH 216 23.866 -11.922 20.219 1.00 41.50 O HETATM 2070 O HOH 217 21.752 17.177 23.001 1.00 44.05 O HETATM 2071 O HOH 218 25.482 13.041 26.605 1.00 16.85 O HETATM 2072 O HOH 219 26.871 -10.492 28.841 1.00 30.38 O HETATM 2073 O HOH 220 41.054 4.319 28.995 1.00 27.39 O HETATM 2074 O HOH 221 39.918 6.172 28.229 1.00 27.56 O HETATM 2075 O HOH 222 34.196 8.230 25.857 1.00 10.93 O HETATM 2076 O HOH 223 37.700 9.228 22.299 1.00 36.99 O HETATM 2077 O HOH 224 36.739 8.764 20.455 1.00 22.03 O HETATM 2078 O HOH 225 34.065 -9.178 18.869 1.00 21.88 O HETATM 2079 O HOH 226 42.267 -0.247 29.524 1.00 32.01 O HETATM 2080 O HOH 227 41.001 1.473 27.893 1.00 24.36 O HETATM 2081 O HOH 228 31.338 7.844 26.027 1.00 10.01 O HETATM 2082 O HOH 229 38.114 1.116 30.979 1.00 24.67 O HETATM 2083 O HOH 230 36.881 0.454 33.217 1.00 20.41 O HETATM 2084 O HOH 231 34.955 -1.458 33.300 1.00 16.54 O HETATM 2085 O HOH 232 24.005 14.742 28.212 1.00 41.76 O HETATM 2086 O HOH 233 22.780 -6.456 22.742 1.00 33.49 O HETATM 2087 O HOH 234 16.813 3.285 5.880 1.00 29.46 O HETATM 2088 O HOH 235 23.477 -7.916 -4.501 1.00 31.65 O HETATM 2089 O HOH 236 19.666 10.515 21.396 1.00 30.64 O HETATM 2090 O HOH 237 24.732 -8.544 -0.722 1.00 35.01 O HETATM 2091 O HOH 238 25.198 -13.006 18.633 1.00 34.43 O HETATM 2092 O HOH 239 35.040 -4.048 10.345 1.00 32.71 O HETATM 2093 O HOH 240 42.987 -6.895 6.703 1.00 35.01 O HETATM 2094 O HOH 241 39.179 -7.684 12.342 1.00 37.69 O HETATM 2095 O HOH 242 34.996 18.303 15.089 1.00 38.56 O HETATM 2096 O HOH 243 34.657 14.674 4.787 1.00 39.30 O HETATM 2097 O HOH 244 38.380 -5.739 12.003 1.00 38.01 O HETATM 2098 O HOH 245 45.312 -9.792 5.844 1.00 38.53 O HETATM 2099 O HOH 246 30.784 -9.848 9.379 1.00 36.68 O HETATM 2100 O HOH 247 42.517 -10.587 -5.202 1.00 37.73 O HETATM 2101 O HOH 248 18.928 -4.883 -1.530 1.00 36.94 O HETATM 2102 O HOH 249 20.575 14.648 24.217 1.00 35.55 O HETATM 2103 O HOH 250 46.610 13.801 5.764 1.00 41.06 O HETATM 2104 O HOH 251 40.443 -8.177 15.851 1.00 39.18 O HETATM 2105 O HOH 252 18.481 10.550 12.805 1.00 34.63 O HETATM 2106 O HOH 253 17.740 -2.348 -1.703 1.00 41.76 O HETATM 2107 O HOH 254 52.306 -6.079 0.004 1.00 36.80 O HETATM 2108 O HOH 255 20.617 13.029 17.553 1.00 37.09 O HETATM 2109 O HOH 256 43.496 17.088 -1.555 1.00 43.44 O HETATM 2110 O HOH 257 14.629 -0.446 4.504 1.00 42.19 O HETATM 2111 O HOH 258 37.458 -10.207 13.756 1.00 26.95 O HETATM 2112 O HOH 259 41.998 -11.632 8.874 1.00 27.31 O HETATM 2113 O HOH 260 46.808 -12.071 8.275 1.00 27.65 O HETATM 2114 O HOH 261 43.494 -15.908 11.316 1.00 26.26 O HETATM 2115 O HOH 262 49.838 -9.416 5.076 1.00 26.53 O HETATM 2116 O HOH 263 49.250 -6.121 8.494 1.00 27.65 O HETATM 2117 O HOH 264 49.669 -11.686 8.319 1.00 26.61 O HETATM 2118 O HOH 265 49.626 -9.404 9.884 1.00 27.91 O HETATM 2119 O HOH 266 47.987 -3.239 8.696 1.00 25.91 O HETATM 2120 O HOH 267 49.517 -1.409 9.591 1.00 29.80 O HETATM 2121 O HOH 268 41.893 -14.315 -3.481 1.00 27.61 O HETATM 2122 O HOH 269 38.564 -12.119 -3.073 1.00 27.72 O HETATM 2123 O HOH 270 39.682 17.188 -4.041 1.00 28.18 O HETATM 2124 O HOH 271 42.096 14.809 -7.021 1.00 28.81 O HETATM 2125 O HOH 272 46.245 17.192 -9.820 1.00 27.44 O HETATM 2126 O HOH 273 13.756 1.968 5.960 1.00 26.67 O HETATM 2127 O HOH 274 12.984 -3.279 4.396 1.00 27.21 O HETATM 2128 O HOH 275 11.197 5.812 7.147 1.00 26.18 O HETATM 2129 O HOH 276 37.972 -5.617 -9.070 1.00 28.08 O HETATM 2130 O HOH 277 37.038 -2.313 -9.190 1.00 27.31 O HETATM 2131 O HOH 278 33.150 2.181 -8.237 1.00 27.66 O HETATM 2132 O HOH 279 38.058 8.090 -10.787 1.00 28.02 O HETATM 2133 O HOH 280 40.706 9.505 16.035 1.00 24.31 O HETATM 2134 O HOH 281 42.080 1.328 10.010 1.00 26.94 O HETATM 2135 O HOH 282 15.994 -10.029 10.093 1.00 28.32 O HETATM 2136 O HOH 283 50.493 -1.366 -1.276 1.00 24.91 O HETATM 2137 P1 A A 2 36.359 3.609 13.442 1.00 0.20 P HETATM 2138 O1P A A 2 36.727 4.959 13.977 1.00 -0.55 O HETATM 2139 O2P A A 2 37.206 3.214 12.304 1.00 -0.55 O HETATM 2140 O3P A A 2 34.880 3.501 13.326 1.00 -0.55 O HETATM 2141 O2' A A 2 36.737 2.710 14.736 1.00 -0.26 O HETATM 2142 C2' A A 2 38.089 2.369 15.024 1.00 0.17 C HETATM 2143 C3' A A 2 38.300 0.868 14.960 1.00 0.12 C HETATM 2144 C4' A A 2 39.561 0.668 15.802 1.00 0.12 C HETATM 2145 C5' A A 2 40.842 0.693 14.969 1.00 0.11 C HETATM 2146 O5' A A 2 40.897 1.924 14.270 1.00 -0.27 O HETATM 2147 P2 A A 2 42.144 2.305 13.332 1.00 0.20 P HETATM 2148 O4P A A 2 41.844 3.650 12.731 1.00 -0.55 O HETATM 2149 O5P A A 2 43.387 2.367 14.184 1.00 -0.55 O HETATM 2150 O6P A A 2 42.102 1.289 12.226 1.00 -0.55 O HETATM 2151 H1 A A 2 41.717 0.602 15.630 1.00 0.06 H HETATM 2152 H2 A A 2 40.835 -0.141 14.252 1.00 0.06 H HETATM 2153 O4' A A 2 39.511 1.724 16.783 1.00 -0.34 O HETATM 2154 C1' A A 2 38.466 2.657 16.463 1.00 0.21 C HETATM 2155 N9 A A 2 39.021 3.998 16.742 1.00 -0.19 N HETATM 2156 C8 A A 2 39.665 4.807 15.850 1.00 0.11 C HETATM 2157 N7 A A 2 40.109 5.951 16.423 1.00 -0.30 N HETATM 2158 C5 A A 2 39.732 5.843 17.703 1.00 0.10 C HETATM 2159 C6 A A 2 39.890 6.678 18.892 1.00 0.13 C HETATM 2160 N6 A A 2 40.505 7.875 18.795 1.00 -0.32 N HETATM 2161 H9 A A 2 40.618 8.465 19.631 1.00 0.18 H HETATM 2162 H10 A A 2 40.862 8.198 17.884 1.00 0.18 H HETATM 2163 N1 A A 2 39.393 6.239 20.042 1.00 -0.27 N HETATM 2164 C2 A A 2 38.751 5.065 20.133 1.00 0.05 C HETATM 2165 N3 A A 2 38.537 4.224 19.115 1.00 -0.27 N HETATM 2166 C4 A A 2 39.049 4.569 17.934 1.00 0.16 C HETATM 2167 H11 A A 2 38.376 4.775 21.108 1.00 0.10 H HETATM 2168 H8 A A 2 39.805 4.561 14.799 1.00 0.13 H HETATM 2169 H7 A A 2 37.584 2.498 17.101 1.00 0.10 H HETATM 2170 H3 A A 2 39.510 -0.306 16.311 1.00 0.07 H HETATM 2171 O3' A A 2 37.198 0.168 15.518 1.00 -0.39 O HETATM 2172 H5 A A 2 36.429 0.308 14.978 1.00 0.21 H HETATM 2173 H4 A A 2 38.458 0.535 13.924 1.00 0.07 H HETATM 2174 H6 A A 2 38.753 2.899 14.325 1.00 0.07 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 2137 2138 2139 2140 2141 CONECT 2138 2137 CONECT 2139 2137 CONECT 2140 2137 CONECT 2141 2137 2142 CONECT 2142 2141 2143 2154 2174 CONECT 2143 2142 2144 2171 2173 CONECT 2144 2143 2145 2153 2170 CONECT 2145 2144 2146 2151 2152 CONECT 2146 2145 2147 CONECT 2147 2146 2148 2149 2150 CONECT 2148 2147 CONECT 2149 2147 CONECT 2150 2147 CONECT 2151 2145 CONECT 2152 2145 CONECT 2153 2144 2154 CONECT 2154 2142 2153 2155 2169 CONECT 2155 2154 2156 2166 CONECT 2156 2155 2157 2168 CONECT 2157 2156 2158 CONECT 2158 2157 2159 2166 CONECT 2159 2158 2160 2163 CONECT 2160 2159 2161 2162 CONECT 2161 2160 CONECT 2162 2160 CONECT 2163 2159 2164 CONECT 2164 2163 2165 2167 CONECT 2165 2164 2166 CONECT 2166 2155 2158 2165 CONECT 2167 2164 CONECT 2168 2156 CONECT 2169 2154 CONECT 2170 2144 CONECT 2171 2143 2172 CONECT 2172 2171 CONECT 2173 2143 CONECT 2174 2142 MASTER 0 0 0 0 0 0 0 0 2173 1 50 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
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Related entries of code: 1o0o
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1afk
RCSB PDB
PDBbind
124aa, >1AFK_1|Chains... at 99%
1afl
RCSB PDB
PDBbind
124aa, >1AFL_1|Chains... at 99%
1dfj
RCSB PDB
PDBbind
124aa, >1DFJ_1|Chain... at 99%
1j7z
RCSB PDB
PDBbind
104aa, >1J7Z_2|Chain... at 99%
1j80
RCSB PDB
PDBbind
104aa, >1J80_2|Chain... at 99%
1j81
RCSB PDB
PDBbind
104aa, >1J81_2|Chain... at 99%
1jn4
RCSB PDB
PDBbind
124aa, >1JN4_1|Chains... at 99%
1jvu
RCSB PDB
PDBbind
124aa, >1JVU_1|Chains... at 99%
1o0f
RCSB PDB
PDBbind
124aa, >1O0F_1|Chains... at 99%
1o0h
RCSB PDB
PDBbind
124aa, >1O0H_1|Chains... at 99%
1o0m
RCSB PDB
PDBbind
124aa, >1O0M_1|Chains... at 99%
1o0n
RCSB PDB
PDBbind
124aa, >1O0N_1|Chains... at 99%
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%
3d8z
RCSB PDB
PDBbind
124aa, >3D8Z_1|Chains... at 99%
3dxg
RCSB PDB
PDBbind
124aa, >3DXG_1|Chains... at 99%
3dxh
RCSB PDB
PDBbind
124aa, >3DXH_1|Chains... at 99%
3lxo
RCSB PDB
PDBbind
124aa, >3LXO_1|Chain... at 99%
4g8v
RCSB PDB
PDBbind
124aa, >4G8V_1|Chains... at 99%
4g8y
RCSB PDB
PDBbind
124aa, >4G8Y_1|Chains... at 99%
4g90
RCSB PDB
PDBbind
124aa, >4G90_1|Chains... at 99%
4peq
RCSB PDB
PDBbind
124aa, >4PEQ_1|Chains... at 99%
4rsk
RCSB PDB
PDBbind
124aa, >4RSK_1|Chain... at 96%
4wyp
RCSB PDB
PDBbind
125aa, >4WYP_1|Chains... *
4wyz
RCSB PDB
PDBbind
125aa, >4WYZ_1|Chains... at 100%
6rsa
RCSB PDB
PDBbind
124aa, >6RSA_1|Chain... at 99%
6pvx
RCSB PDB
PDBbind
124aa, >6PVX_1|Chains... at 99%
6pvw
RCSB PDB
PDBbind
124aa, >6PVW_1|Chains... at 99%
6pvv
RCSB PDB
PDBbind
124aa, >6PVV_1|Chains... at 99%
6pvu
RCSB PDB
PDBbind
124aa, >6PVU_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1h1h
RCSB PDB
PDBbind
A2P
1hi3
RCSB PDB
PDBbind
A2P
2gz2
RCSB PDB
PDBbind
A2P
4r3w
RCSB PDB
PDBbind
A2P
Entry Information
PDB ID
1o0o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease a
Ligand Name
A2P
EC.Number
E.C.3.1.27.5
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Ki=8uM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
PROTEIN SCI. v12 pp. 2559-74, 2003
Ligand Properties
Formula
C
1
0
H
1
7
N
5
O
1
0
P
2
Molecular Weight
429.217
Exact Mass
429.045
No. of atoms
44
No. of bonds
46
Polar Surface Area
266.1
LOGP Value
-4.97 (
Computed with XLOGP3
)
-2.04 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 15
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@@H](COP(O)(O)O)O[C@H]([C@@H]1OP(O)(O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H19N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(25-27(20,21)22)6(16)4(24-10)1-23-26(17,18)19/h2-4,6-7,10,16-22,26-27H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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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