Browse entries in the PDBbind-CN Database
HEADER 1TOU_COMPLEX COMPND 1TOU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 CYS ASP ALA PHE VAL GLY THR TRP LYS LEU VAL SER SER SEQRES 2 A 131 GLU ASN PHE ASP ASP TYR MET LYS GLU VAL GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG LYS VAL ALA GLY MET ALA LYS PRO ASN SEQRES 4 A 131 MET ILE ILE SER VAL ASN GLY ASP VAL ILE THR ILE LYS SEQRES 5 A 131 SER GLU SER THR PHE LYS ASN THR GLU ILE SER PHE ILE SEQRES 6 A 131 LEU GLY GLN GLU PHE ASP GLU VAL THR ALA ASP ASP ARG SEQRES 7 A 131 LYS VAL LYS SER THR ILE THR LEU ASP GLY GLY VAL LEU SEQRES 8 A 131 VAL HIS VAL GLN LYS TRP ASP GLY LYS SER THR THR ILE SEQRES 9 A 131 LYS ARG LYS ARG GLU ASP ASP LYS LEU VAL VAL GLU CYS SEQRES 10 A 131 VAL MET LYS GLY VAL THR SER THR ARG VAL TYR GLU ARG SEQRES 11 A 131 ALA HET B A 1V 35 ATOM 1 N CYS A 1 4.940 -1.211 13.093 1.00 48.62 N ATOM 2 CA CYS A 1 4.689 -0.036 12.203 1.00 48.82 C ATOM 3 C CYS A 1 3.883 -0.474 11.002 1.00 47.54 C ATOM 4 O CYS A 1 4.116 -1.561 10.477 1.00 47.64 O ATOM 5 CB CYS A 1 6.010 0.531 11.689 1.00 49.21 C ATOM 6 SG CYS A 1 6.410 -0.002 9.996 1.00 53.55 S ATOM 7 HA CYS A 1 4.153 0.719 12.778 1.00 0.00 H ATOM 8 HB2 CYS A 1 6.810 0.203 12.353 1.00 0.00 H ATOM 9 HB3 CYS A 1 5.949 1.619 11.704 1.00 0.00 H ATOM 10 HG CYS A 1 6.504 -1.378 9.959 1.00 0.00 H ATOM 11 HN3 CYS A 1 5.468 -1.936 12.567 1.00 0.00 H ATOM 12 HN2 CYS A 1 4.031 -1.604 13.410 1.00 0.00 H ATOM 13 HN1 CYS A 1 5.495 -0.907 13.918 1.00 0.00 H ATOM 14 N ASP A 2 2.946 0.364 10.563 1.00 46.27 N ATOM 15 CA ASP A 2 2.222 0.116 9.309 1.00 44.66 C ATOM 16 C ASP A 2 1.544 1.345 8.624 1.00 42.66 C ATOM 17 O ASP A 2 0.964 1.222 7.535 1.00 42.22 O ATOM 18 CB ASP A 2 1.302 -1.149 9.365 1.00 45.53 C ATOM 19 CG ASP A 2 0.988 -1.662 10.813 1.00 48.12 C ATOM 20 OD1 ASP A 2 1.788 -2.452 11.378 1.00 49.77 O ATOM 21 OD2 ASP A 2 -0.070 -1.398 11.436 1.00 50.45 O ATOM 22 HA ASP A 2 3.034 -0.110 8.617 1.00 0.00 H ATOM 23 HB2 ASP A 2 0.358 -0.905 8.878 1.00 0.00 H ATOM 24 HB3 ASP A 2 1.795 -1.953 8.818 1.00 0.00 H ATOM 25 H ASP A 2 2.722 1.213 11.120 1.00 0.00 H ATOM 26 N ALA A 3 1.627 2.525 9.252 1.00 39.89 N ATOM 27 CA ALA A 3 1.312 3.800 8.571 1.00 36.45 C ATOM 28 C ALA A 3 2.468 4.184 7.636 1.00 34.05 C ATOM 29 O ALA A 3 2.474 5.255 7.018 1.00 34.14 O ATOM 30 CB ALA A 3 1.068 4.903 9.591 1.00 36.95 C ATOM 31 HA ALA A 3 0.403 3.673 7.983 1.00 0.00 H ATOM 32 HB1 ALA A 3 0.230 4.626 10.230 1.00 0.00 H ATOM 33 HB2 ALA A 3 1.962 5.037 10.200 1.00 0.00 H ATOM 34 HB3 ALA A 3 0.838 5.833 9.071 1.00 0.00 H ATOM 35 H ALA A 3 1.922 2.546 10.249 1.00 0.00 H ATOM 36 N PHE A 4 3.439 3.282 7.544 1.00 30.53 N ATOM 37 CA PHE A 4 4.619 3.446 6.708 1.00 27.53 C ATOM 38 C PHE A 4 4.440 2.663 5.416 1.00 25.91 C ATOM 39 O PHE A 4 5.201 2.846 4.471 1.00 24.92 O ATOM 40 CB PHE A 4 5.834 2.877 7.429 1.00 26.86 C ATOM 41 CG PHE A 4 6.311 3.705 8.568 1.00 25.75 C ATOM 42 CD1 PHE A 4 7.261 4.695 8.364 1.00 24.09 C ATOM 43 CD2 PHE A 4 5.853 3.469 9.855 1.00 24.55 C ATOM 44 CE1 PHE A 4 7.730 5.453 9.414 1.00 23.81 C ATOM 45 CE2 PHE A 4 6.323 4.219 10.920 1.00 24.83 C ATOM 46 CZ PHE A 4 7.257 5.221 10.700 1.00 25.18 C ATOM 47 HA PHE A 4 4.757 4.507 6.498 1.00 0.00 H ATOM 48 HB2 PHE A 4 5.574 1.889 7.810 1.00 0.00 H ATOM 49 HB3 PHE A 4 6.647 2.785 6.709 1.00 0.00 H ATOM 50 HD2 PHE A 4 5.116 2.685 10.030 1.00 0.00 H ATOM 51 HE2 PHE A 4 5.960 4.023 11.929 1.00 0.00 H ATOM 52 HZ PHE A 4 7.619 5.824 11.533 1.00 0.00 H ATOM 53 HE1 PHE A 4 8.470 6.233 9.237 1.00 0.00 H ATOM 54 HD1 PHE A 4 7.642 4.876 7.359 1.00 0.00 H ATOM 55 H PHE A 4 3.351 2.408 8.101 1.00 0.00 H ATOM 56 N VAL A 5 3.443 1.774 5.401 1.00 24.10 N ATOM 57 CA VAL A 5 3.214 0.880 4.269 1.00 22.25 C ATOM 58 C VAL A 5 2.935 1.677 3.004 1.00 21.93 C ATOM 59 O VAL A 5 2.128 2.614 3.012 1.00 21.05 O ATOM 60 CB VAL A 5 2.056 -0.134 4.544 1.00 22.64 C ATOM 61 CG1 VAL A 5 1.689 -0.903 3.265 1.00 20.85 C ATOM 62 CG2 VAL A 5 2.447 -1.108 5.653 1.00 20.29 C ATOM 63 HA VAL A 5 4.126 0.300 4.127 1.00 0.00 H ATOM 64 HB VAL A 5 1.182 0.431 4.869 1.00 0.00 H ATOM 65 HG11 VAL A 5 1.365 -0.198 2.499 1.00 0.00 H ATOM 66 HG12 VAL A 5 2.561 -1.452 2.910 1.00 0.00 H ATOM 67 HG13 VAL A 5 0.881 -1.602 3.482 1.00 0.00 H ATOM 68 HG21 VAL A 5 3.337 -1.661 5.352 1.00 0.00 H ATOM 69 HG22 VAL A 5 2.655 -0.552 6.567 1.00 0.00 H ATOM 70 HG23 VAL A 5 1.627 -1.805 5.829 1.00 0.00 H ATOM 71 H VAL A 5 2.809 1.717 6.223 1.00 0.00 H ATOM 72 N GLY A 6 3.630 1.316 1.932 1.00 21.49 N ATOM 73 CA GLY A 6 3.411 1.941 0.631 1.00 21.52 C ATOM 74 C GLY A 6 4.671 1.958 -0.209 1.00 21.31 C ATOM 75 O GLY A 6 5.705 1.383 0.161 1.00 20.78 O ATOM 76 HA3 GLY A 6 3.076 2.967 0.785 1.00 0.00 H ATOM 77 HA2 GLY A 6 2.640 1.385 0.098 1.00 0.00 H ATOM 78 H GLY A 6 4.348 0.569 2.021 1.00 0.00 H ATOM 79 N THR A 7 4.569 2.609 -1.356 1.00 21.18 N ATOM 80 CA THR A 7 5.717 2.817 -2.227 1.00 21.14 C ATOM 81 C THR A 7 6.016 4.296 -2.184 1.00 21.38 C ATOM 82 O THR A 7 5.094 5.122 -2.324 1.00 20.91 O ATOM 83 CB THR A 7 5.393 2.308 -3.638 1.00 21.09 C ATOM 84 OG1 THR A 7 5.166 0.899 -3.549 1.00 20.61 O ATOM 85 CG2 THR A 7 6.610 2.434 -4.578 1.00 21.96 C ATOM 86 HA THR A 7 6.598 2.262 -1.905 1.00 0.00 H ATOM 87 HB THR A 7 4.547 2.884 -4.013 1.00 0.00 H ATOM 88 HG1 THR A 7 4.407 0.726 -2.937 1.00 0.00 H ATOM 89 HG23 THR A 7 6.860 3.487 -4.707 1.00 0.00 H ATOM 90 HG21 THR A 7 7.460 1.908 -4.143 1.00 0.00 H ATOM 91 HG22 THR A 7 6.367 1.996 -5.546 1.00 0.00 H ATOM 92 H THR A 7 3.642 2.983 -1.644 1.00 0.00 H ATOM 93 N TRP A 8 7.294 4.606 -1.947 1.00 20.70 N ATOM 94 CA TRP A 8 7.771 5.964 -1.688 1.00 20.70 C ATOM 95 C TRP A 8 8.934 6.360 -2.603 1.00 21.22 C ATOM 96 O TRP A 8 9.873 5.577 -2.790 1.00 21.61 O ATOM 97 CB TRP A 8 8.226 6.062 -0.232 1.00 20.16 C ATOM 98 CG TRP A 8 7.189 5.667 0.765 1.00 19.57 C ATOM 99 CD1 TRP A 8 6.985 4.412 1.308 1.00 19.80 C ATOM 100 CD2 TRP A 8 6.204 6.523 1.365 1.00 19.46 C ATOM 101 NE1 TRP A 8 5.943 4.449 2.205 1.00 20.01 N ATOM 102 CE2 TRP A 8 5.442 5.728 2.257 1.00 20.07 C ATOM 103 CE3 TRP A 8 5.889 7.885 1.241 1.00 18.14 C ATOM 104 CZ2 TRP A 8 4.391 6.251 3.024 1.00 20.52 C ATOM 105 CZ3 TRP A 8 4.854 8.407 2.009 1.00 19.83 C ATOM 106 CH2 TRP A 8 4.111 7.585 2.888 1.00 20.09 C ATOM 107 HA TRP A 8 6.946 6.648 -1.889 1.00 0.00 H ATOM 108 HB2 TRP A 8 9.091 5.412 -0.100 1.00 0.00 H ATOM 109 HB3 TRP A 8 8.515 7.094 -0.033 1.00 0.00 H ATOM 110 HE1 TRP A 8 5.591 3.640 2.755 1.00 0.00 H ATOM 111 HD1 TRP A 8 7.565 3.523 1.061 1.00 0.00 H ATOM 112 HZ2 TRP A 8 3.818 5.620 3.703 1.00 0.00 H ATOM 113 HH2 TRP A 8 3.299 8.022 3.469 1.00 0.00 H ATOM 114 HZ3 TRP A 8 4.611 9.467 1.932 1.00 0.00 H ATOM 115 HE3 TRP A 8 6.446 8.523 0.555 1.00 0.00 H ATOM 116 H TRP A 8 7.992 3.835 -1.947 1.00 0.00 H ATOM 117 N LYS A 9 8.887 7.574 -3.157 1.00 20.78 N ATOM 118 CA LYS A 9 9.873 8.025 -4.136 1.00 21.84 C ATOM 119 C LYS A 9 10.704 9.144 -3.511 1.00 20.82 C ATOM 120 O LYS A 9 10.148 10.075 -2.944 1.00 20.74 O ATOM 121 CB LYS A 9 9.155 8.538 -5.405 1.00 22.23 C ATOM 122 CG LYS A 9 10.060 9.025 -6.537 1.00 24.48 C ATOM 123 CD LYS A 9 9.204 9.475 -7.763 1.00 25.31 C ATOM 124 CE LYS A 9 10.005 9.449 -9.098 1.00 28.30 C ATOM 125 NZ LYS A 9 9.204 9.908 -10.298 1.00 30.06 N ATOM 126 HA LYS A 9 10.525 7.198 -4.419 1.00 0.00 H ATOM 127 HB2 LYS A 9 8.543 7.724 -5.794 1.00 0.00 H ATOM 128 HB3 LYS A 9 8.511 9.367 -5.112 1.00 0.00 H ATOM 129 HG2 LYS A 9 10.654 9.868 -6.185 1.00 0.00 H ATOM 130 HG3 LYS A 9 10.724 8.215 -6.840 1.00 0.00 H ATOM 131 HD2 LYS A 9 8.349 8.805 -7.856 1.00 0.00 H ATOM 132 HD3 LYS A 9 8.851 10.491 -7.588 1.00 0.00 H ATOM 133 HE2 LYS A 9 10.341 8.428 -9.278 1.00 0.00 H ATOM 134 HE3 LYS A 9 10.872 10.102 -8.992 1.00 0.00 H ATOM 135 HZ1 LYS A 9 8.378 9.288 -10.420 1.00 0.00 H ATOM 136 HZ2 LYS A 9 8.885 10.886 -10.147 1.00 0.00 H ATOM 137 HZ3 LYS A 9 9.801 9.864 -11.149 1.00 0.00 H ATOM 138 H LYS A 9 8.121 8.222 -2.882 1.00 0.00 H ATOM 139 N LEU A 10 12.029 9.062 -3.605 1.00 19.99 N ATOM 140 CA LEU A 10 12.853 10.144 -3.073 1.00 19.03 C ATOM 141 C LEU A 10 12.573 11.434 -3.841 1.00 18.69 C ATOM 142 O LEU A 10 12.666 11.448 -5.067 1.00 18.26 O ATOM 143 CB LEU A 10 14.339 9.810 -3.150 1.00 19.01 C ATOM 144 CG LEU A 10 15.259 10.880 -2.506 1.00 18.85 C ATOM 145 CD1 LEU A 10 15.332 10.744 -0.980 1.00 18.96 C ATOM 146 CD2 LEU A 10 16.642 10.842 -3.118 1.00 18.14 C ATOM 147 HA LEU A 10 12.593 10.276 -2.023 1.00 0.00 H ATOM 148 HB2 LEU A 10 14.505 8.862 -2.638 1.00 0.00 H ATOM 149 HB3 LEU A 10 14.614 9.708 -4.200 1.00 0.00 H ATOM 150 HG LEU A 10 14.813 11.852 -2.718 1.00 0.00 H ATOM 151 HD21 LEU A 10 17.082 9.858 -2.957 1.00 0.00 H ATOM 152 HD22 LEU A 10 16.570 11.039 -4.188 1.00 0.00 H ATOM 153 HD23 LEU A 10 17.267 11.602 -2.649 1.00 0.00 H ATOM 154 HD11 LEU A 10 14.334 10.859 -0.558 1.00 0.00 H ATOM 155 HD12 LEU A 10 15.726 9.761 -0.723 1.00 0.00 H ATOM 156 HD13 LEU A 10 15.988 11.516 -0.579 1.00 0.00 H ATOM 157 H LEU A 10 12.473 8.235 -4.053 1.00 0.00 H ATOM 158 N VAL A 11 12.224 12.505 -3.114 1.00 18.34 N ATOM 159 CA VAL A 11 12.000 13.824 -3.719 1.00 17.79 C ATOM 160 C VAL A 11 13.002 14.922 -3.278 1.00 18.33 C ATOM 161 O VAL A 11 13.203 15.893 -4.007 1.00 18.26 O ATOM 162 CB VAL A 11 10.519 14.319 -3.573 1.00 17.73 C ATOM 163 CG1 VAL A 11 9.528 13.348 -4.286 1.00 16.21 C ATOM 164 CG2 VAL A 11 10.145 14.534 -2.117 1.00 16.66 C ATOM 165 HA VAL A 11 12.195 13.656 -4.778 1.00 0.00 H ATOM 166 HB VAL A 11 10.443 15.286 -4.069 1.00 0.00 H ATOM 167 HG11 VAL A 11 9.775 13.293 -5.346 1.00 0.00 H ATOM 168 HG12 VAL A 11 9.610 12.356 -3.841 1.00 0.00 H ATOM 169 HG13 VAL A 11 8.510 13.718 -4.167 1.00 0.00 H ATOM 170 HG21 VAL A 11 10.251 13.595 -1.574 1.00 0.00 H ATOM 171 HG22 VAL A 11 10.805 15.284 -1.681 1.00 0.00 H ATOM 172 HG23 VAL A 11 9.112 14.877 -2.055 1.00 0.00 H ATOM 173 H VAL A 11 12.108 12.398 -2.086 1.00 0.00 H ATOM 174 N SER A 12 13.633 14.769 -2.107 1.00 18.02 N ATOM 175 CA SER A 12 14.729 15.680 -1.713 1.00 18.11 C ATOM 176 C SER A 12 15.756 14.993 -0.817 1.00 18.27 C ATOM 177 O SER A 12 15.426 14.030 -0.111 1.00 17.66 O ATOM 178 CB SER A 12 14.188 16.950 -1.043 1.00 18.20 C ATOM 179 OG SER A 12 13.518 16.647 0.162 1.00 20.16 O ATOM 180 HA SER A 12 15.240 15.969 -2.632 1.00 0.00 H ATOM 181 HB2 SER A 12 13.492 17.442 -1.723 1.00 0.00 H ATOM 182 HB3 SER A 12 15.020 17.621 -0.828 1.00 0.00 H ATOM 183 HG SER A 12 14.147 16.204 0.785 1.00 0.00 H ATOM 184 H SER A 12 13.349 14.000 -1.467 1.00 0.00 H ATOM 185 N SER A 13 17.000 15.474 -0.861 1.00 17.68 N ATOM 186 CA SER A 13 18.069 14.927 -0.017 1.00 17.57 C ATOM 187 C SER A 13 19.012 16.041 0.438 1.00 17.93 C ATOM 188 O SER A 13 19.431 16.863 -0.371 1.00 18.48 O ATOM 189 CB SER A 13 18.849 13.867 -0.804 1.00 17.56 C ATOM 190 OG SER A 13 19.846 13.236 -0.026 1.00 15.63 O ATOM 191 HA SER A 13 17.625 14.469 0.867 1.00 0.00 H ATOM 192 HB2 SER A 13 19.325 14.347 -1.659 1.00 0.00 H ATOM 193 HB3 SER A 13 18.150 13.109 -1.157 1.00 0.00 H ATOM 194 HG SER A 13 20.318 12.564 -0.579 1.00 0.00 H ATOM 195 H SER A 13 17.218 16.257 -1.510 1.00 0.00 H ATOM 196 N GLU A 14 19.339 16.077 1.728 1.00 18.58 N ATOM 197 CA GLU A 14 20.277 17.085 2.254 1.00 18.98 C ATOM 198 C GLU A 14 21.393 16.383 3.004 1.00 18.50 C ATOM 199 O GLU A 14 21.125 15.554 3.863 1.00 18.17 O ATOM 200 CB GLU A 14 19.559 18.069 3.191 1.00 18.96 C ATOM 201 CG GLU A 14 18.609 19.018 2.452 1.00 22.06 C ATOM 202 CD GLU A 14 17.313 19.290 3.194 1.00 24.74 C ATOM 203 OE1 GLU A 14 16.253 19.292 2.525 1.00 26.33 O ATOM 204 OE2 GLU A 14 17.344 19.506 4.427 1.00 25.12 O ATOM 205 HA GLU A 14 20.688 17.651 1.418 1.00 0.00 H ATOM 206 HB2 GLU A 14 18.983 17.498 3.919 1.00 0.00 H ATOM 207 HB3 GLU A 14 20.310 18.664 3.711 1.00 0.00 H ATOM 208 HG2 GLU A 14 19.122 19.967 2.298 1.00 0.00 H ATOM 209 HG3 GLU A 14 18.366 18.577 1.485 1.00 0.00 H ATOM 210 H GLU A 14 18.924 15.379 2.378 1.00 0.00 H ATOM 211 N ASN A 15 22.632 16.723 2.668 1.00 18.13 N ATOM 212 CA ASN A 15 23.841 16.238 3.380 1.00 18.26 C ATOM 213 C ASN A 15 24.170 14.756 3.218 1.00 17.84 C ATOM 214 O ASN A 15 24.943 14.207 4.011 1.00 17.43 O ATOM 215 CB ASN A 15 23.828 16.601 4.882 1.00 17.82 C ATOM 216 CG ASN A 15 23.562 18.069 5.136 1.00 18.45 C ATOM 217 OD1 ASN A 15 23.905 18.924 4.320 1.00 17.66 O ATOM 218 ND2 ASN A 15 22.923 18.369 6.279 1.00 18.88 N ATOM 219 HA ASN A 15 24.641 16.777 2.871 1.00 0.00 H ATOM 220 HB2 ASN A 15 23.050 16.017 5.374 1.00 0.00 H ATOM 221 HB3 ASN A 15 24.797 16.345 5.309 1.00 0.00 H ATOM 222 HD22 ASN A 15 22.653 17.611 6.938 1.00 0.00 H ATOM 223 HD21 ASN A 15 22.698 19.359 6.505 1.00 0.00 H ATOM 224 H ASN A 15 22.763 17.365 1.861 1.00 0.00 H ATOM 225 N PHE A 16 23.591 14.113 2.204 1.00 18.57 N ATOM 226 CA PHE A 16 23.782 12.667 2.002 1.00 18.99 C ATOM 227 C PHE A 16 25.224 12.288 1.675 1.00 19.16 C ATOM 228 O PHE A 16 25.741 11.282 2.188 1.00 19.59 O ATOM 229 CB PHE A 16 22.819 12.083 0.957 1.00 18.61 C ATOM 230 CG PHE A 16 22.696 10.568 1.034 1.00 20.45 C ATOM 231 CD1 PHE A 16 22.361 9.940 2.241 1.00 20.19 C ATOM 232 CD2 PHE A 16 22.904 9.774 -0.094 1.00 20.66 C ATOM 233 CE1 PHE A 16 22.242 8.528 2.321 1.00 20.10 C ATOM 234 CE2 PHE A 16 22.777 8.359 -0.030 1.00 19.66 C ATOM 235 CZ PHE A 16 22.455 7.746 1.183 1.00 21.17 C ATOM 236 HA PHE A 16 23.543 12.217 2.965 1.00 0.00 H ATOM 237 HB2 PHE A 16 21.832 12.519 1.113 1.00 0.00 H ATOM 238 HB3 PHE A 16 23.181 12.351 -0.036 1.00 0.00 H ATOM 239 HD2 PHE A 16 23.168 10.246 -1.040 1.00 0.00 H ATOM 240 HE2 PHE A 16 22.930 7.755 -0.924 1.00 0.00 H ATOM 241 HZ PHE A 16 22.370 6.661 1.242 1.00 0.00 H ATOM 242 HE1 PHE A 16 21.985 8.055 3.269 1.00 0.00 H ATOM 243 HD1 PHE A 16 22.189 10.545 3.131 1.00 0.00 H ATOM 244 H PHE A 16 22.991 14.644 1.541 1.00 0.00 H ATOM 245 N ASP A 17 25.878 13.095 0.841 1.00 19.50 N ATOM 246 CA ASP A 17 27.290 12.862 0.523 1.00 19.72 C ATOM 247 C ASP A 17 28.148 12.920 1.794 1.00 19.81 C ATOM 248 O ASP A 17 28.963 12.017 2.043 1.00 19.15 O ATOM 249 CB ASP A 17 27.778 13.857 -0.526 1.00 19.92 C ATOM 250 CG ASP A 17 29.165 13.530 -1.029 1.00 22.08 C ATOM 251 OD1 ASP A 17 29.393 12.389 -1.513 1.00 23.00 O ATOM 252 OD2 ASP A 17 30.095 14.349 -0.959 1.00 24.10 O ATOM 253 HA ASP A 17 27.389 11.862 0.101 1.00 0.00 H ATOM 254 HB2 ASP A 17 27.087 13.844 -1.369 1.00 0.00 H ATOM 255 HB3 ASP A 17 27.791 14.853 -0.084 1.00 0.00 H ATOM 256 H ASP A 17 25.381 13.900 0.410 1.00 0.00 H ATOM 257 N ASP A 18 27.939 13.970 2.603 1.00 19.88 N ATOM 258 CA ASP A 18 28.635 14.144 3.883 1.00 20.01 C ATOM 259 C ASP A 18 28.381 12.943 4.787 1.00 19.63 C ATOM 260 O ASP A 18 29.290 12.441 5.422 1.00 18.87 O ATOM 261 CB ASP A 18 28.145 15.399 4.623 1.00 20.64 C ATOM 262 CG ASP A 18 28.765 16.696 4.099 1.00 23.50 C ATOM 263 OD1 ASP A 18 29.732 16.655 3.291 1.00 22.45 O ATOM 264 OD2 ASP A 18 28.306 17.813 4.441 1.00 25.67 O ATOM 265 HA ASP A 18 29.697 14.244 3.659 1.00 0.00 H ATOM 266 HB2 ASP A 18 27.063 15.464 4.513 1.00 0.00 H ATOM 267 HB3 ASP A 18 28.396 15.298 5.679 1.00 0.00 H ATOM 268 H ASP A 18 27.252 14.694 2.309 1.00 0.00 H ATOM 269 N TYR A 19 27.128 12.498 4.847 1.00 19.57 N ATOM 270 CA TYR A 19 26.774 11.329 5.657 1.00 18.89 C ATOM 271 C TYR A 19 27.537 10.094 5.173 1.00 18.73 C ATOM 272 O TYR A 19 28.158 9.411 5.961 1.00 19.82 O ATOM 273 CB TYR A 19 25.253 11.107 5.679 1.00 18.37 C ATOM 274 CG TYR A 19 24.840 9.781 6.303 1.00 19.19 C ATOM 275 CD1 TYR A 19 24.810 9.608 7.697 1.00 16.79 C ATOM 276 CD2 TYR A 19 24.512 8.688 5.497 1.00 18.88 C ATOM 277 CE1 TYR A 19 24.451 8.376 8.264 1.00 17.82 C ATOM 278 CE2 TYR A 19 24.144 7.447 6.061 1.00 17.11 C ATOM 279 CZ TYR A 19 24.121 7.298 7.427 1.00 18.42 C ATOM 280 OH TYR A 19 23.767 6.073 7.958 1.00 19.87 O ATOM 281 HA TYR A 19 27.075 11.515 6.688 1.00 0.00 H ATOM 282 HB3 TYR A 19 24.885 11.135 4.653 1.00 0.00 H ATOM 283 HB2 TYR A 19 24.795 11.915 6.250 1.00 0.00 H ATOM 284 HD2 TYR A 19 24.541 8.795 4.413 1.00 0.00 H ATOM 285 HE2 TYR A 19 23.879 6.610 5.415 1.00 0.00 H ATOM 286 HE1 TYR A 19 24.428 8.256 9.347 1.00 0.00 H ATOM 287 HD1 TYR A 19 25.069 10.443 8.347 1.00 0.00 H ATOM 288 HH TYR A 19 23.797 6.122 8.946 1.00 0.00 H ATOM 289 H TYR A 19 26.386 12.989 4.309 1.00 0.00 H ATOM 290 N MET A 20 27.490 9.819 3.875 1.00 19.19 N ATOM 291 CA MET A 20 28.222 8.694 3.296 1.00 19.34 C ATOM 292 C MET A 20 29.731 8.778 3.565 1.00 20.19 C ATOM 293 O MET A 20 30.362 7.791 3.941 1.00 19.23 O ATOM 294 CB MET A 20 27.963 8.618 1.803 1.00 18.93 C ATOM 295 CG MET A 20 26.570 8.137 1.432 1.00 18.66 C ATOM 296 SD MET A 20 26.472 7.802 -0.337 1.00 19.33 S ATOM 297 CE MET A 20 26.458 9.469 -1.004 1.00 18.82 C ATOM 298 HA MET A 20 27.857 7.788 3.779 1.00 0.00 H ATOM 299 HB2 MET A 20 28.104 9.613 1.381 1.00 0.00 H ATOM 300 HB3 MET A 20 28.689 7.933 1.365 1.00 0.00 H ATOM 301 HG2 MET A 20 25.843 8.906 1.693 1.00 0.00 H ATOM 302 HG3 MET A 20 26.346 7.224 1.984 1.00 0.00 H ATOM 303 HE1 MET A 20 25.594 10.007 -0.615 1.00 0.00 H ATOM 304 HE2 MET A 20 27.372 9.985 -0.709 1.00 0.00 H ATOM 305 HE3 MET A 20 26.400 9.423 -2.091 1.00 0.00 H ATOM 306 H MET A 20 26.916 10.422 3.252 1.00 0.00 H ATOM 307 N LYS A 21 30.301 9.969 3.387 1.00 20.75 N ATOM 308 CA LYS A 21 31.702 10.182 3.707 1.00 21.87 C ATOM 309 C LYS A 21 32.017 9.781 5.163 1.00 22.23 C ATOM 310 O LYS A 21 32.972 9.027 5.426 1.00 21.24 O ATOM 311 CB LYS A 21 32.092 11.633 3.434 1.00 21.82 C ATOM 312 CG LYS A 21 33.584 11.879 3.542 1.00 25.03 C ATOM 313 CD LYS A 21 33.982 13.192 2.893 1.00 27.21 C ATOM 314 CE LYS A 21 35.483 13.431 3.046 1.00 30.87 C ATOM 315 NZ LYS A 21 35.830 14.859 2.746 1.00 34.14 N ATOM 316 HA LYS A 21 32.300 9.538 3.062 1.00 0.00 H ATOM 317 HB2 LYS A 21 31.769 11.896 2.427 1.00 0.00 H ATOM 318 HB3 LYS A 21 31.582 12.271 4.156 1.00 0.00 H ATOM 319 HG2 LYS A 21 33.863 11.906 4.595 1.00 0.00 H ATOM 320 HG3 LYS A 21 34.114 11.065 3.048 1.00 0.00 H ATOM 321 HD2 LYS A 21 33.730 13.160 1.833 1.00 0.00 H ATOM 322 HD3 LYS A 21 33.438 14.008 3.370 1.00 0.00 H ATOM 323 HE2 LYS A 21 36.021 12.780 2.356 1.00 0.00 H ATOM 324 HE3 LYS A 21 35.779 13.199 4.069 1.00 0.00 H ATOM 325 HZ1 LYS A 21 35.553 15.084 1.769 1.00 0.00 H ATOM 326 HZ2 LYS A 21 35.322 15.484 3.405 1.00 0.00 H ATOM 327 HZ3 LYS A 21 36.855 14.996 2.857 1.00 0.00 H ATOM 328 H LYS A 21 29.735 10.757 3.014 1.00 0.00 H ATOM 329 N GLU A 22 31.197 10.276 6.093 1.00 22.34 N ATOM 330 CA GLU A 22 31.348 10.004 7.523 1.00 22.92 C ATOM 331 C GLU A 22 31.237 8.518 7.873 1.00 22.62 C ATOM 332 O GLU A 22 31.979 8.003 8.719 1.00 22.41 O ATOM 333 CB GLU A 22 30.290 10.799 8.303 1.00 23.90 C ATOM 334 CG GLU A 22 30.763 11.288 9.657 1.00 25.58 C ATOM 335 CD GLU A 22 31.903 12.297 9.570 1.00 28.48 C ATOM 336 OE1 GLU A 22 32.093 12.931 8.519 1.00 31.29 O ATOM 337 OE2 GLU A 22 32.612 12.469 10.567 1.00 30.87 O ATOM 338 HA GLU A 22 32.354 10.315 7.803 1.00 0.00 H ATOM 339 HB2 GLU A 22 30.002 11.665 7.707 1.00 0.00 H ATOM 340 HB3 GLU A 22 29.421 10.158 8.454 1.00 0.00 H ATOM 341 HG2 GLU A 22 29.923 11.758 10.168 1.00 0.00 H ATOM 342 HG3 GLU A 22 31.104 10.429 10.235 1.00 0.00 H ATOM 343 H GLU A 22 30.412 10.885 5.786 1.00 0.00 H ATOM 344 N VAL A 23 30.317 7.832 7.210 1.00 22.12 N ATOM 345 CA VAL A 23 30.152 6.391 7.368 1.00 22.08 C ATOM 346 C VAL A 23 31.412 5.628 6.868 1.00 22.54 C ATOM 347 O VAL A 23 31.717 4.549 7.349 1.00 23.08 O ATOM 348 CB VAL A 23 28.838 5.923 6.653 1.00 22.46 C ATOM 349 CG1 VAL A 23 28.785 4.428 6.498 1.00 21.29 C ATOM 350 CG2 VAL A 23 27.608 6.424 7.428 1.00 21.91 C ATOM 351 HA VAL A 23 30.051 6.154 8.427 1.00 0.00 H ATOM 352 HB VAL A 23 28.834 6.355 5.652 1.00 0.00 H ATOM 353 HG11 VAL A 23 29.635 4.095 5.902 1.00 0.00 H ATOM 354 HG12 VAL A 23 28.824 3.960 7.482 1.00 0.00 H ATOM 355 HG13 VAL A 23 27.858 4.149 5.998 1.00 0.00 H ATOM 356 HG21 VAL A 23 27.629 6.020 8.440 1.00 0.00 H ATOM 357 HG22 VAL A 23 27.625 7.513 7.470 1.00 0.00 H ATOM 358 HG23 VAL A 23 26.701 6.093 6.922 1.00 0.00 H ATOM 359 H VAL A 23 29.690 8.339 6.553 1.00 0.00 H ATOM 360 N GLY A 24 32.146 6.211 5.925 1.00 22.48 N ATOM 361 CA GLY A 24 33.368 5.594 5.413 1.00 22.66 C ATOM 362 C GLY A 24 33.244 5.137 3.980 1.00 23.06 C ATOM 363 O GLY A 24 34.113 4.419 3.473 1.00 23.73 O ATOM 364 HA3 GLY A 24 33.607 4.730 6.034 1.00 0.00 H ATOM 365 HA2 GLY A 24 34.177 6.321 5.477 1.00 0.00 H ATOM 366 H GLY A 24 31.843 7.129 5.542 1.00 0.00 H ATOM 367 N VAL A 25 32.174 5.565 3.313 1.00 23.18 N ATOM 368 CA VAL A 25 31.896 5.172 1.923 1.00 23.82 C ATOM 369 C VAL A 25 32.939 5.760 0.960 1.00 24.44 C ATOM 370 O VAL A 25 33.201 6.954 0.990 1.00 24.01 O ATOM 371 CB VAL A 25 30.453 5.597 1.500 1.00 24.12 C ATOM 372 CG1 VAL A 25 30.146 5.190 0.059 1.00 23.28 C ATOM 373 CG2 VAL A 25 29.400 5.010 2.458 1.00 24.32 C ATOM 374 HA VAL A 25 31.962 4.085 1.867 1.00 0.00 H ATOM 375 HB VAL A 25 30.407 6.684 1.559 1.00 0.00 H ATOM 376 HG11 VAL A 25 30.858 5.671 -0.612 1.00 0.00 H ATOM 377 HG12 VAL A 25 30.228 4.107 -0.037 1.00 0.00 H ATOM 378 HG13 VAL A 25 29.134 5.503 -0.198 1.00 0.00 H ATOM 379 HG21 VAL A 25 29.463 3.922 2.442 1.00 0.00 H ATOM 380 HG22 VAL A 25 29.589 5.371 3.469 1.00 0.00 H ATOM 381 HG23 VAL A 25 28.406 5.323 2.139 1.00 0.00 H ATOM 382 H VAL A 25 31.508 6.203 3.794 1.00 0.00 H ATOM 383 N GLY A 26 33.532 4.910 0.123 1.00 25.12 N ATOM 384 CA GLY A 26 34.484 5.347 -0.903 1.00 26.10 C ATOM 385 C GLY A 26 33.856 6.278 -1.923 1.00 26.84 C ATOM 386 O GLY A 26 32.646 6.242 -2.140 1.00 26.86 O ATOM 387 HA3 GLY A 26 34.867 4.468 -1.421 1.00 0.00 H ATOM 388 HA2 GLY A 26 35.308 5.868 -0.416 1.00 0.00 H ATOM 389 H GLY A 26 33.311 3.897 0.200 1.00 0.00 H ATOM 390 N PHE A 27 34.684 7.110 -2.554 1.00 27.69 N ATOM 391 CA PHE A 27 34.208 8.145 -3.464 1.00 27.80 C ATOM 392 C PHE A 27 33.374 7.648 -4.648 1.00 27.65 C ATOM 393 O PHE A 27 32.348 8.245 -4.966 1.00 27.41 O ATOM 394 CB PHE A 27 35.364 9.019 -3.971 1.00 28.53 C ATOM 395 CG PHE A 27 34.919 10.126 -4.895 1.00 29.09 C ATOM 396 CD1 PHE A 27 34.489 11.345 -4.380 1.00 30.06 C ATOM 397 CD2 PHE A 27 34.900 9.935 -6.275 1.00 30.42 C ATOM 398 CE1 PHE A 27 34.067 12.364 -5.224 1.00 30.59 C ATOM 399 CE2 PHE A 27 34.475 10.950 -7.129 1.00 30.26 C ATOM 400 CZ PHE A 27 34.067 12.166 -6.606 1.00 30.44 C ATOM 401 HA PHE A 27 33.527 8.738 -2.853 1.00 0.00 H ATOM 402 HB2 PHE A 27 35.862 9.466 -3.111 1.00 0.00 H ATOM 403 HB3 PHE A 27 36.068 8.383 -4.507 1.00 0.00 H ATOM 404 HD2 PHE A 27 35.221 8.980 -6.691 1.00 0.00 H ATOM 405 HE2 PHE A 27 34.463 10.788 -8.207 1.00 0.00 H ATOM 406 HZ PHE A 27 33.746 12.967 -7.272 1.00 0.00 H ATOM 407 HE1 PHE A 27 33.737 13.316 -4.808 1.00 0.00 H ATOM 408 HD1 PHE A 27 34.483 11.502 -3.301 1.00 0.00 H ATOM 409 H PHE A 27 35.707 7.018 -2.391 1.00 0.00 H ATOM 410 N ALA A 28 33.818 6.578 -5.307 1.00 27.93 N ATOM 411 CA ALA A 28 33.118 6.072 -6.497 1.00 27.67 C ATOM 412 C ALA A 28 31.692 5.643 -6.160 1.00 27.04 C ATOM 413 O ALA A 28 30.767 5.895 -6.930 1.00 27.02 O ATOM 414 CB ALA A 28 33.897 4.913 -7.158 1.00 28.03 C ATOM 415 HA ALA A 28 33.063 6.891 -7.215 1.00 0.00 H ATOM 416 HB1 ALA A 28 34.883 5.265 -7.460 1.00 0.00 H ATOM 417 HB2 ALA A 28 34.004 4.096 -6.445 1.00 0.00 H ATOM 418 HB3 ALA A 28 33.351 4.563 -8.034 1.00 0.00 H ATOM 419 H ALA A 28 34.675 6.092 -4.974 1.00 0.00 H ATOM 420 N THR A 29 31.521 5.007 -5.007 1.00 26.53 N ATOM 421 CA THR A 29 30.190 4.637 -4.542 1.00 26.02 C ATOM 422 C THR A 29 29.354 5.889 -4.230 1.00 26.18 C ATOM 423 O THR A 29 28.226 6.013 -4.718 1.00 25.91 O ATOM 424 CB THR A 29 30.278 3.665 -3.352 1.00 26.14 C ATOM 425 OG1 THR A 29 30.903 2.439 -3.784 1.00 25.54 O ATOM 426 CG2 THR A 29 28.883 3.214 -2.875 1.00 24.48 C ATOM 427 HA THR A 29 29.672 4.106 -5.341 1.00 0.00 H ATOM 428 HB THR A 29 30.822 4.191 -2.567 1.00 0.00 H ATOM 429 HG1 THR A 29 31.813 2.635 -4.121 1.00 0.00 H ATOM 430 HG23 THR A 29 28.323 4.080 -2.523 1.00 0.00 H ATOM 431 HG21 THR A 29 28.350 2.747 -3.704 1.00 0.00 H ATOM 432 HG22 THR A 29 28.993 2.496 -2.062 1.00 0.00 H ATOM 433 H THR A 29 32.350 4.769 -4.426 1.00 0.00 H ATOM 434 N ARG A 30 29.916 6.825 -3.461 1.00 25.69 N ATOM 435 CA ARG A 30 29.229 8.099 -3.168 1.00 25.68 C ATOM 436 C ARG A 30 28.718 8.814 -4.423 1.00 25.88 C ATOM 437 O ARG A 30 27.599 9.336 -4.439 1.00 24.98 O ATOM 438 CB ARG A 30 30.143 9.058 -2.405 1.00 25.15 C ATOM 439 CG ARG A 30 30.452 8.652 -1.001 1.00 25.06 C ATOM 440 CD ARG A 30 30.843 9.795 -0.094 1.00 27.70 C ATOM 441 NE ARG A 30 31.899 10.638 -0.651 1.00 29.73 N ATOM 442 CZ ARG A 30 33.199 10.406 -0.505 1.00 32.46 C ATOM 443 NH1 ARG A 30 33.632 9.345 0.171 1.00 33.69 N ATOM 444 NH2 ARG A 30 34.075 11.233 -1.040 1.00 32.85 N ATOM 445 HA ARG A 30 28.369 7.826 -2.557 1.00 0.00 H ATOM 446 HB2 ARG A 30 31.084 9.135 -2.950 1.00 0.00 H ATOM 447 HB3 ARG A 30 29.660 10.035 -2.376 1.00 0.00 H ATOM 448 HG2 ARG A 30 29.568 8.171 -0.582 1.00 0.00 H ATOM 449 HG3 ARG A 30 31.275 7.938 -1.025 1.00 0.00 H ATOM 450 HD2 ARG A 30 31.192 9.382 0.853 1.00 0.00 H ATOM 451 HD3 ARG A 30 29.963 10.413 0.083 1.00 0.00 H ATOM 452 HE ARG A 30 31.614 11.475 -1.198 1.00 0.00 H ATOM 453 HH12 ARG A 30 34.653 9.177 0.277 1.00 0.00 H ATOM 454 HH11 ARG A 30 32.950 8.684 0.594 1.00 0.00 H ATOM 455 HH22 ARG A 30 35.094 11.055 -0.928 1.00 0.00 H ATOM 456 HH21 ARG A 30 33.748 12.063 -1.574 1.00 0.00 H ATOM 457 H ARG A 30 30.860 6.653 -3.059 1.00 0.00 H ATOM 458 N LYS A 31 29.552 8.850 -5.466 1.00 26.79 N ATOM 459 CA LYS A 31 29.173 9.470 -6.730 1.00 27.55 C ATOM 460 C LYS A 31 27.908 8.825 -7.304 1.00 27.46 C ATOM 461 O LYS A 31 26.969 9.530 -7.678 1.00 28.00 O ATOM 462 CB LYS A 31 30.334 9.455 -7.755 1.00 28.06 C ATOM 463 CG LYS A 31 29.895 9.903 -9.169 1.00 29.81 C ATOM 464 CD LYS A 31 30.937 10.776 -9.901 1.00 33.47 C ATOM 465 CE LYS A 31 30.253 11.602 -11.038 1.00 32.46 C ATOM 466 NZ LYS A 31 30.908 12.934 -11.365 1.00 33.48 N ATOM 467 HA LYS A 31 28.949 10.516 -6.523 1.00 0.00 H ATOM 468 HB2 LYS A 31 31.117 10.128 -7.404 1.00 0.00 H ATOM 469 HB3 LYS A 31 30.729 8.441 -7.818 1.00 0.00 H ATOM 470 HG2 LYS A 31 29.711 9.012 -9.770 1.00 0.00 H ATOM 471 HG3 LYS A 31 28.972 10.475 -9.077 1.00 0.00 H ATOM 472 HD2 LYS A 31 31.398 11.459 -9.188 1.00 0.00 H ATOM 473 HD3 LYS A 31 31.703 10.134 -10.335 1.00 0.00 H ATOM 474 HE2 LYS A 31 29.224 11.798 -10.738 1.00 0.00 H ATOM 475 HE3 LYS A 31 30.257 10.995 -11.943 1.00 0.00 H ATOM 476 HZ1 LYS A 31 30.903 13.539 -10.519 1.00 0.00 H ATOM 477 HZ2 LYS A 31 31.889 12.771 -11.670 1.00 0.00 H ATOM 478 HZ3 LYS A 31 30.379 13.401 -12.129 1.00 0.00 H ATOM 479 H LYS A 31 30.497 8.425 -5.374 1.00 0.00 H ATOM 480 N VAL A 32 27.871 7.496 -7.352 1.00 26.84 N ATOM 481 CA VAL A 32 26.699 6.815 -7.900 1.00 27.21 C ATOM 482 C VAL A 32 25.500 6.827 -6.938 1.00 27.13 C ATOM 483 O VAL A 32 24.374 7.106 -7.358 1.00 27.82 O ATOM 484 CB VAL A 32 27.025 5.387 -8.376 1.00 26.95 C ATOM 485 CG1 VAL A 32 25.787 4.729 -8.934 1.00 27.75 C ATOM 486 CG2 VAL A 32 28.087 5.432 -9.467 1.00 28.11 C ATOM 487 HA VAL A 32 26.403 7.390 -8.777 1.00 0.00 H ATOM 488 HB VAL A 32 27.392 4.816 -7.524 1.00 0.00 H ATOM 489 HG11 VAL A 32 25.022 4.682 -8.159 1.00 0.00 H ATOM 490 HG12 VAL A 32 25.416 5.311 -9.778 1.00 0.00 H ATOM 491 HG13 VAL A 32 26.032 3.720 -9.267 1.00 0.00 H ATOM 492 HG21 VAL A 32 27.716 6.016 -10.309 1.00 0.00 H ATOM 493 HG22 VAL A 32 28.992 5.895 -9.073 1.00 0.00 H ATOM 494 HG23 VAL A 32 28.310 4.417 -9.797 1.00 0.00 H ATOM 495 H VAL A 32 28.677 6.941 -6.999 1.00 0.00 H ATOM 496 N ALA A 33 25.745 6.538 -5.658 1.00 26.64 N ATOM 497 CA ALA A 33 24.681 6.541 -4.634 1.00 26.80 C ATOM 498 C ALA A 33 24.010 7.905 -4.453 1.00 27.18 C ATOM 499 O ALA A 33 22.798 7.976 -4.226 1.00 27.44 O ATOM 500 CB ALA A 33 25.213 6.032 -3.301 1.00 26.10 C ATOM 501 HA ALA A 33 23.910 5.864 -5.001 1.00 0.00 H ATOM 502 HB1 ALA A 33 25.581 5.013 -3.423 1.00 0.00 H ATOM 503 HB2 ALA A 33 26.026 6.676 -2.966 1.00 0.00 H ATOM 504 HB3 ALA A 33 24.411 6.044 -2.563 1.00 0.00 H ATOM 505 H ALA A 33 26.717 6.303 -5.373 1.00 0.00 H ATOM 506 N GLY A 34 24.799 8.975 -4.536 1.00 27.68 N ATOM 507 CA GLY A 34 24.299 10.332 -4.337 1.00 29.16 C ATOM 508 C GLY A 34 23.452 10.870 -5.480 1.00 30.14 C ATOM 509 O GLY A 34 22.645 11.783 -5.276 1.00 29.99 O ATOM 510 HA3 GLY A 34 25.155 10.994 -4.207 1.00 0.00 H ATOM 511 HA2 GLY A 34 23.693 10.342 -3.431 1.00 0.00 H ATOM 512 H GLY A 34 25.808 8.839 -4.750 1.00 0.00 H ATOM 513 N MET A 35 23.656 10.333 -6.685 1.00 31.18 N ATOM 514 CA MET A 35 22.854 10.714 -7.857 1.00 32.77 C ATOM 515 C MET A 35 21.537 9.949 -7.926 1.00 31.18 C ATOM 516 O MET A 35 20.583 10.437 -8.519 1.00 31.09 O ATOM 517 CB MET A 35 23.616 10.465 -9.158 1.00 32.78 C ATOM 518 CG MET A 35 24.665 11.499 -9.513 1.00 34.95 C ATOM 519 SD MET A 35 25.358 11.221 -11.167 1.00 38.94 S ATOM 520 CE MET A 35 26.076 9.568 -11.010 1.00 38.51 C ATOM 521 HA MET A 35 22.646 11.778 -7.742 1.00 0.00 H ATOM 522 HB2 MET A 35 24.113 9.498 -9.076 1.00 0.00 H ATOM 523 HB3 MET A 35 22.890 10.431 -9.970 1.00 0.00 H ATOM 524 HG2 MET A 35 25.471 11.450 -8.780 1.00 0.00 H ATOM 525 HG3 MET A 35 24.209 12.489 -9.484 1.00 0.00 H ATOM 526 HE1 MET A 35 26.834 9.575 -10.227 1.00 0.00 H ATOM 527 HE2 MET A 35 25.292 8.856 -10.752 1.00 0.00 H ATOM 528 HE3 MET A 35 26.533 9.280 -11.957 1.00 0.00 H ATOM 529 H MET A 35 24.407 9.622 -6.798 1.00 0.00 H ATOM 530 N ALA A 36 21.503 8.757 -7.327 1.00 30.27 N ATOM 531 CA ALA A 36 20.340 7.853 -7.388 1.00 29.25 C ATOM 532 C ALA A 36 19.149 8.460 -6.692 1.00 28.00 C ATOM 533 O ALA A 36 19.299 9.175 -5.713 1.00 28.17 O ATOM 534 CB ALA A 36 20.669 6.491 -6.762 1.00 28.98 C ATOM 535 HA ALA A 36 20.094 7.705 -8.440 1.00 0.00 H ATOM 536 HB1 ALA A 36 21.497 6.034 -7.304 1.00 0.00 H ATOM 537 HB2 ALA A 36 20.950 6.631 -5.718 1.00 0.00 H ATOM 538 HB3 ALA A 36 19.793 5.845 -6.821 1.00 0.00 H ATOM 539 H ALA A 36 22.339 8.450 -6.790 1.00 0.00 H ATOM 540 N LYS A 37 17.962 8.189 -7.214 1.00 27.25 N ATOM 541 CA LYS A 37 16.737 8.620 -6.566 1.00 26.77 C ATOM 542 C LYS A 37 15.870 7.376 -6.315 1.00 25.78 C ATOM 543 O LYS A 37 15.004 7.022 -7.126 1.00 25.35 O ATOM 544 CB LYS A 37 16.009 9.698 -7.385 1.00 27.54 C ATOM 545 CG LYS A 37 16.780 11.021 -7.498 1.00 30.15 C ATOM 546 CD LYS A 37 15.855 12.157 -7.924 1.00 35.12 C ATOM 547 CE LYS A 37 16.513 13.532 -7.737 1.00 38.26 C ATOM 548 NZ LYS A 37 15.557 14.678 -8.002 1.00 39.84 N ATOM 549 HA LYS A 37 16.964 9.094 -5.611 1.00 0.00 H ATOM 550 HB2 LYS A 37 15.842 9.311 -8.390 1.00 0.00 H ATOM 551 HB3 LYS A 37 15.049 9.900 -6.910 1.00 0.00 H ATOM 552 HG2 LYS A 37 17.219 11.262 -6.530 1.00 0.00 H ATOM 553 HG3 LYS A 37 17.573 10.910 -8.238 1.00 0.00 H ATOM 554 HD2 LYS A 37 15.600 12.028 -8.976 1.00 0.00 H ATOM 555 HD3 LYS A 37 14.946 12.116 -7.323 1.00 0.00 H ATOM 556 HE2 LYS A 37 17.354 13.613 -8.425 1.00 0.00 H ATOM 557 HE3 LYS A 37 16.875 13.609 -6.712 1.00 0.00 H ATOM 558 HZ1 LYS A 37 15.211 14.620 -8.981 1.00 0.00 H ATOM 559 HZ2 LYS A 37 14.753 14.616 -7.345 1.00 0.00 H ATOM 560 HZ3 LYS A 37 16.053 15.581 -7.861 1.00 0.00 H ATOM 561 H LYS A 37 17.907 7.657 -8.106 1.00 0.00 H ATOM 562 N PRO A 38 16.140 6.702 -5.200 1.00 24.88 N ATOM 563 CA PRO A 38 15.521 5.410 -4.917 1.00 24.48 C ATOM 564 C PRO A 38 14.028 5.455 -4.651 1.00 24.29 C ATOM 565 O PRO A 38 13.462 6.489 -4.235 1.00 23.15 O ATOM 566 CB PRO A 38 16.254 4.919 -3.652 1.00 24.59 C ATOM 567 CG PRO A 38 16.877 6.139 -3.043 1.00 25.00 C ATOM 568 CD PRO A 38 17.075 7.126 -4.136 1.00 24.51 C ATOM 569 HA PRO A 38 15.613 4.762 -5.789 1.00 0.00 H ATOM 570 HD3 PRO A 38 16.836 8.133 -3.793 1.00 0.00 H ATOM 571 HD2 PRO A 38 18.104 7.100 -4.495 1.00 0.00 H ATOM 572 HG3 PRO A 38 17.836 5.883 -2.593 1.00 0.00 H ATOM 573 HG2 PRO A 38 16.218 6.554 -2.280 1.00 0.00 H ATOM 574 HB2 PRO A 38 15.549 4.465 -2.956 1.00 0.00 H ATOM 575 HB3 PRO A 38 17.022 4.192 -3.916 1.00 0.00 H ATOM 576 N ASN A 39 13.397 4.320 -4.913 1.00 24.24 N ATOM 577 CA ASN A 39 12.080 4.062 -4.391 1.00 24.57 C ATOM 578 C ASN A 39 12.245 3.187 -3.169 1.00 24.56 C ATOM 579 O ASN A 39 13.101 2.301 -3.136 1.00 24.88 O ATOM 580 CB ASN A 39 11.210 3.374 -5.433 1.00 24.86 C ATOM 581 CG ASN A 39 10.873 4.295 -6.592 1.00 27.14 C ATOM 582 OD1 ASN A 39 10.175 5.294 -6.419 1.00 28.41 O ATOM 583 ND2 ASN A 39 11.385 3.976 -7.775 1.00 27.02 N ATOM 584 HA ASN A 39 11.584 4.996 -4.129 1.00 0.00 H ATOM 585 HB2 ASN A 39 11.743 2.504 -5.818 1.00 0.00 H ATOM 586 HB3 ASN A 39 10.283 3.050 -4.960 1.00 0.00 H ATOM 587 HD22 ASN A 39 11.970 3.122 -7.875 1.00 0.00 H ATOM 588 HD21 ASN A 39 11.201 4.580 -8.601 1.00 0.00 H ATOM 589 H ASN A 39 13.861 3.603 -5.506 1.00 0.00 H ATOM 590 N MET A 40 11.434 3.441 -2.159 1.00 24.17 N ATOM 591 CA MET A 40 11.423 2.597 -0.979 1.00 24.20 C ATOM 592 C MET A 40 10.040 1.964 -0.888 1.00 23.17 C ATOM 593 O MET A 40 9.028 2.654 -1.033 1.00 23.38 O ATOM 594 CB MET A 40 11.789 3.422 0.245 1.00 23.88 C ATOM 595 CG MET A 40 11.652 2.717 1.587 1.00 25.27 C ATOM 596 SD MET A 40 12.380 3.734 2.876 1.00 27.13 S ATOM 597 CE MET A 40 11.477 5.248 2.646 1.00 27.47 C ATOM 598 HA MET A 40 12.164 1.800 -1.037 1.00 0.00 H ATOM 599 HB2 MET A 40 12.827 3.737 0.137 1.00 0.00 H ATOM 600 HB3 MET A 40 11.144 4.300 0.261 1.00 0.00 H ATOM 601 HG2 MET A 40 12.167 1.757 1.547 1.00 0.00 H ATOM 602 HG3 MET A 40 10.597 2.553 1.806 1.00 0.00 H ATOM 603 HE1 MET A 40 11.652 5.625 1.638 1.00 0.00 H ATOM 604 HE2 MET A 40 10.412 5.059 2.785 1.00 0.00 H ATOM 605 HE3 MET A 40 11.814 5.985 3.375 1.00 0.00 H ATOM 606 H MET A 40 10.793 4.259 -2.210 1.00 0.00 H ATOM 607 N ILE A 41 10.004 0.646 -0.717 1.00 21.80 N ATOM 608 CA ILE A 41 8.737 -0.097 -0.634 1.00 20.80 C ATOM 609 C ILE A 41 8.634 -0.793 0.720 1.00 20.18 C ATOM 610 O ILE A 41 9.403 -1.706 1.028 1.00 18.75 O ATOM 611 CB ILE A 41 8.608 -1.124 -1.780 1.00 20.85 C ATOM 612 CG1 ILE A 41 8.911 -0.455 -3.126 1.00 21.72 C ATOM 613 CG2 ILE A 41 7.195 -1.771 -1.754 1.00 20.86 C ATOM 614 CD1 ILE A 41 9.613 -1.333 -4.138 1.00 25.45 C ATOM 615 HA ILE A 41 7.917 0.614 -0.737 1.00 0.00 H ATOM 616 HB ILE A 41 9.339 -1.921 -1.642 1.00 0.00 H ATOM 617 HG12 ILE A 41 7.966 -0.128 -3.561 1.00 0.00 H ATOM 618 HG13 ILE A 41 9.542 0.413 -2.937 1.00 0.00 H ATOM 619 HD11 ILE A 41 10.570 -1.661 -3.731 1.00 0.00 H ATOM 620 HD12 ILE A 41 8.992 -2.202 -4.355 1.00 0.00 H ATOM 621 HD13 ILE A 41 9.781 -0.767 -5.054 1.00 0.00 H ATOM 622 HG21 ILE A 41 7.045 -2.276 -0.800 1.00 0.00 H ATOM 623 HG22 ILE A 41 6.439 -0.995 -1.879 1.00 0.00 H ATOM 624 HG23 ILE A 41 7.113 -2.494 -2.566 1.00 0.00 H ATOM 625 H ILE A 41 10.900 0.124 -0.639 1.00 0.00 H ATOM 626 N ILE A 42 7.692 -0.327 1.527 1.00 19.98 N ATOM 627 CA ILE A 42 7.508 -0.851 2.870 1.00 20.40 C ATOM 628 C ILE A 42 6.237 -1.681 2.911 1.00 20.50 C ATOM 629 O ILE A 42 5.187 -1.231 2.472 1.00 20.11 O ATOM 630 CB ILE A 42 7.463 0.293 3.910 1.00 20.25 C ATOM 631 CG1 ILE A 42 8.734 1.147 3.777 1.00 22.04 C ATOM 632 CG2 ILE A 42 7.301 -0.277 5.334 1.00 20.79 C ATOM 633 CD1 ILE A 42 8.832 2.291 4.728 1.00 22.82 C ATOM 634 HA ILE A 42 8.356 -1.486 3.128 1.00 0.00 H ATOM 635 HB ILE A 42 6.599 0.930 3.721 1.00 0.00 H ATOM 636 HG12 ILE A 42 9.595 0.498 3.939 1.00 0.00 H ATOM 637 HG13 ILE A 42 8.768 1.547 2.763 1.00 0.00 H ATOM 638 HD11 ILE A 42 7.988 2.963 4.574 1.00 0.00 H ATOM 639 HD12 ILE A 42 8.816 1.914 5.751 1.00 0.00 H ATOM 640 HD13 ILE A 42 9.763 2.829 4.552 1.00 0.00 H ATOM 641 HG21 ILE A 42 6.373 -0.846 5.393 1.00 0.00 H ATOM 642 HG22 ILE A 42 8.144 -0.929 5.561 1.00 0.00 H ATOM 643 HG23 ILE A 42 7.271 0.543 6.051 1.00 0.00 H ATOM 644 H ILE A 42 7.068 0.434 1.190 1.00 0.00 H ATOM 645 N SER A 43 6.366 -2.897 3.429 1.00 20.81 N ATOM 646 CA SER A 43 5.255 -3.831 3.581 1.00 21.29 C ATOM 647 C SER A 43 5.363 -4.550 4.927 1.00 22.11 C ATOM 648 O SER A 43 6.447 -4.605 5.541 1.00 22.18 O ATOM 649 CB SER A 43 5.241 -4.833 2.427 1.00 20.80 C ATOM 650 OG SER A 43 6.411 -5.631 2.456 1.00 19.69 O ATOM 651 HA SER A 43 4.317 -3.277 3.557 1.00 0.00 H ATOM 652 HB2 SER A 43 5.197 -4.293 1.481 1.00 0.00 H ATOM 653 HB3 SER A 43 4.365 -5.475 2.518 1.00 0.00 H ATOM 654 HG SER A 43 7.208 -5.050 2.371 1.00 0.00 H ATOM 655 H SER A 43 7.310 -3.200 3.743 1.00 0.00 H ATOM 656 N VAL A 44 4.237 -5.069 5.411 1.00 22.75 N ATOM 657 CA VAL A 44 4.208 -5.724 6.720 1.00 23.50 C ATOM 658 C VAL A 44 3.361 -6.978 6.605 1.00 24.21 C ATOM 659 O VAL A 44 2.289 -6.946 6.000 1.00 23.32 O ATOM 660 CB VAL A 44 3.642 -4.789 7.854 1.00 23.77 C ATOM 661 CG1 VAL A 44 3.691 -5.478 9.217 1.00 24.09 C ATOM 662 CG2 VAL A 44 4.410 -3.452 7.933 1.00 24.57 C ATOM 663 HA VAL A 44 5.231 -5.969 7.005 1.00 0.00 H ATOM 664 HB VAL A 44 2.604 -4.581 7.593 1.00 0.00 H ATOM 665 HG11 VAL A 44 3.091 -6.387 9.185 1.00 0.00 H ATOM 666 HG12 VAL A 44 4.724 -5.731 9.458 1.00 0.00 H ATOM 667 HG13 VAL A 44 3.293 -4.806 9.977 1.00 0.00 H ATOM 668 HG21 VAL A 44 5.461 -3.650 8.145 1.00 0.00 H ATOM 669 HG22 VAL A 44 4.323 -2.928 6.981 1.00 0.00 H ATOM 670 HG23 VAL A 44 3.987 -2.838 8.728 1.00 0.00 H ATOM 671 H VAL A 44 3.363 -5.008 4.850 1.00 0.00 H ATOM 672 N ASN A 45 3.866 -8.073 7.173 1.00 25.54 N ATOM 673 CA ASN A 45 3.158 -9.350 7.253 1.00 27.59 C ATOM 674 C ASN A 45 3.285 -9.895 8.685 1.00 27.65 C ATOM 675 O ASN A 45 4.314 -10.451 9.046 1.00 27.82 O ATOM 676 CB ASN A 45 3.751 -10.366 6.262 1.00 28.19 C ATOM 677 CG ASN A 45 3.413 -10.054 4.810 1.00 31.42 C ATOM 678 OD1 ASN A 45 2.240 -9.900 4.445 1.00 36.06 O ATOM 679 ND2 ASN A 45 4.442 -9.987 3.966 1.00 32.83 N ATOM 680 HA ASN A 45 2.110 -9.194 6.997 1.00 0.00 H ATOM 681 HB2 ASN A 45 4.835 -10.367 6.373 1.00 0.00 H ATOM 682 HB3 ASN A 45 3.361 -11.355 6.504 1.00 0.00 H ATOM 683 HD22 ASN A 45 5.412 -10.123 4.316 1.00 0.00 H ATOM 684 HD21 ASN A 45 4.275 -9.799 2.957 1.00 0.00 H ATOM 685 H ASN A 45 4.820 -8.016 7.584 1.00 0.00 H ATOM 686 N GLY A 46 2.238 -9.732 9.490 1.00 27.97 N ATOM 687 CA GLY A 46 2.297 -10.053 10.919 1.00 28.22 C ATOM 688 C GLY A 46 3.324 -9.213 11.675 1.00 27.91 C ATOM 689 O GLY A 46 3.238 -7.986 11.713 1.00 28.05 O ATOM 690 HA3 GLY A 46 2.559 -11.105 11.029 1.00 0.00 H ATOM 691 HA2 GLY A 46 1.314 -9.877 11.356 1.00 0.00 H ATOM 692 H GLY A 46 1.350 -9.365 9.093 1.00 0.00 H ATOM 693 N ASP A 47 4.308 -9.865 12.283 1.00 28.03 N ATOM 694 CA ASP A 47 5.338 -9.111 13.000 1.00 27.72 C ATOM 695 C ASP A 47 6.598 -8.836 12.148 1.00 26.39 C ATOM 696 O ASP A 47 7.537 -8.171 12.601 1.00 26.12 O ATOM 697 CB ASP A 47 5.666 -9.760 14.353 1.00 29.30 C ATOM 698 CG ASP A 47 5.615 -11.264 14.302 1.00 31.67 C ATOM 699 OD1 ASP A 47 6.288 -11.839 13.415 1.00 37.68 O ATOM 700 OD2 ASP A 47 4.932 -11.954 15.094 1.00 31.57 O ATOM 701 HA ASP A 47 4.917 -8.127 13.207 1.00 0.00 H ATOM 702 HB2 ASP A 47 6.668 -9.454 14.653 1.00 0.00 H ATOM 703 HB3 ASP A 47 4.945 -9.411 15.092 1.00 0.00 H ATOM 704 H ASP A 47 4.347 -10.904 12.250 1.00 0.00 H ATOM 705 N VAL A 48 6.604 -9.328 10.914 1.00 24.85 N ATOM 706 CA VAL A 48 7.715 -9.039 9.987 1.00 23.69 C ATOM 707 C VAL A 48 7.450 -7.816 9.108 1.00 22.52 C ATOM 708 O VAL A 48 6.474 -7.761 8.342 1.00 21.63 O ATOM 709 CB VAL A 48 8.093 -10.240 9.094 1.00 23.78 C ATOM 710 CG1 VAL A 48 9.334 -9.919 8.290 1.00 23.21 C ATOM 711 CG2 VAL A 48 8.320 -11.488 9.925 1.00 24.19 C ATOM 712 HA VAL A 48 8.561 -8.823 10.639 1.00 0.00 H ATOM 713 HB VAL A 48 7.264 -10.431 8.413 1.00 0.00 H ATOM 714 HG11 VAL A 48 9.143 -9.050 7.660 1.00 0.00 H ATOM 715 HG12 VAL A 48 10.159 -9.703 8.969 1.00 0.00 H ATOM 716 HG13 VAL A 48 9.591 -10.774 7.664 1.00 0.00 H ATOM 717 HG21 VAL A 48 9.130 -11.310 10.632 1.00 0.00 H ATOM 718 HG22 VAL A 48 7.408 -11.731 10.470 1.00 0.00 H ATOM 719 HG23 VAL A 48 8.585 -12.317 9.269 1.00 0.00 H ATOM 720 H VAL A 48 5.814 -9.926 10.597 1.00 0.00 H ATOM 721 N ILE A 49 8.338 -6.836 9.230 1.00 21.16 N ATOM 722 CA ILE A 49 8.321 -5.664 8.371 1.00 20.25 C ATOM 723 C ILE A 49 9.404 -5.812 7.292 1.00 20.03 C ATOM 724 O ILE A 49 10.545 -6.183 7.586 1.00 18.95 O ATOM 725 CB ILE A 49 8.548 -4.385 9.222 1.00 20.24 C ATOM 726 CG1 ILE A 49 7.424 -4.227 10.263 1.00 20.78 C ATOM 727 CG2 ILE A 49 8.706 -3.143 8.326 1.00 19.91 C ATOM 728 CD1 ILE A 49 7.743 -3.255 11.410 1.00 20.95 C ATOM 729 HA ILE A 49 7.352 -5.575 7.881 1.00 0.00 H ATOM 730 HB ILE A 49 9.484 -4.489 9.771 1.00 0.00 H ATOM 731 HG12 ILE A 49 6.533 -3.866 9.749 1.00 0.00 H ATOM 732 HG13 ILE A 49 7.220 -5.207 10.695 1.00 0.00 H ATOM 733 HD11 ILE A 49 8.624 -3.606 11.947 1.00 0.00 H ATOM 734 HD12 ILE A 49 7.936 -2.263 11.001 1.00 0.00 H ATOM 735 HD13 ILE A 49 6.894 -3.209 12.092 1.00 0.00 H ATOM 736 HG21 ILE A 49 9.562 -3.279 7.666 1.00 0.00 H ATOM 737 HG22 ILE A 49 7.803 -3.010 7.730 1.00 0.00 H ATOM 738 HG23 ILE A 49 8.863 -2.264 8.951 1.00 0.00 H ATOM 739 H ILE A 49 9.070 -6.910 9.965 1.00 0.00 H ATOM 740 N THR A 50 9.038 -5.520 6.046 1.00 19.37 N ATOM 741 CA THR A 50 9.986 -5.557 4.932 1.00 18.78 C ATOM 742 C THR A 50 10.183 -4.147 4.366 1.00 18.65 C ATOM 743 O THR A 50 9.211 -3.467 4.041 1.00 18.66 O ATOM 744 CB THR A 50 9.479 -6.530 3.859 1.00 18.44 C ATOM 745 OG1 THR A 50 9.569 -7.868 4.361 1.00 18.74 O ATOM 746 CG2 THR A 50 10.408 -6.543 2.598 1.00 19.52 C ATOM 747 HA THR A 50 10.955 -5.912 5.282 1.00 0.00 H ATOM 748 HB THR A 50 8.467 -6.213 3.608 1.00 0.00 H ATOM 749 HG1 THR A 50 10.512 -8.074 4.580 1.00 0.00 H ATOM 750 HG23 THR A 50 10.407 -5.555 2.138 1.00 0.00 H ATOM 751 HG21 THR A 50 11.423 -6.805 2.898 1.00 0.00 H ATOM 752 HG22 THR A 50 10.038 -7.278 1.883 1.00 0.00 H ATOM 753 H THR A 50 8.049 -5.258 5.859 1.00 0.00 H ATOM 754 N ILE A 51 11.437 -3.701 4.300 1.00 18.86 N ATOM 755 CA ILE A 51 11.781 -2.441 3.620 1.00 18.88 C ATOM 756 C ILE A 51 12.734 -2.721 2.443 1.00 18.71 C ATOM 757 O ILE A 51 13.869 -3.190 2.639 1.00 17.74 O ATOM 758 CB ILE A 51 12.400 -1.397 4.583 1.00 19.20 C ATOM 759 CG1 ILE A 51 11.451 -1.091 5.752 1.00 19.63 C ATOM 760 CG2 ILE A 51 12.775 -0.120 3.799 1.00 19.29 C ATOM 761 CD1 ILE A 51 12.034 -0.166 6.804 1.00 19.31 C ATOM 762 HA ILE A 51 10.853 -2.011 3.243 1.00 0.00 H ATOM 763 HB ILE A 51 13.311 -1.811 5.016 1.00 0.00 H ATOM 764 HG12 ILE A 51 10.551 -0.626 5.349 1.00 0.00 H ATOM 765 HG13 ILE A 51 11.187 -2.033 6.233 1.00 0.00 H ATOM 766 HD11 ILE A 51 12.929 -0.620 7.229 1.00 0.00 H ATOM 767 HD12 ILE A 51 12.292 0.788 6.344 1.00 0.00 H ATOM 768 HD13 ILE A 51 11.298 -0.004 7.591 1.00 0.00 H ATOM 769 HG21 ILE A 51 13.499 -0.371 3.024 1.00 0.00 H ATOM 770 HG22 ILE A 51 11.880 0.299 3.340 1.00 0.00 H ATOM 771 HG23 ILE A 51 13.210 0.610 4.482 1.00 0.00 H ATOM 772 H ILE A 51 12.195 -4.259 4.742 1.00 0.00 H ATOM 773 N LYS A 52 12.230 -2.451 1.238 1.00 18.00 N ATOM 774 CA LYS A 52 12.968 -2.559 0.001 1.00 18.58 C ATOM 775 C LYS A 52 13.390 -1.171 -0.433 1.00 19.14 C ATOM 776 O LYS A 52 12.630 -0.211 -0.312 1.00 18.65 O ATOM 777 CB LYS A 52 12.079 -3.132 -1.113 1.00 18.23 C ATOM 778 CG LYS A 52 11.591 -4.562 -0.880 1.00 19.74 C ATOM 779 CD LYS A 52 10.586 -4.966 -1.935 1.00 19.73 C ATOM 780 CE LYS A 52 10.108 -6.397 -1.715 1.00 20.67 C ATOM 781 NZ LYS A 52 9.462 -6.839 -2.953 1.00 21.90 N ATOM 782 HA LYS A 52 13.825 -3.212 0.165 1.00 0.00 H ATOM 783 HB2 LYS A 52 11.205 -2.488 -1.213 1.00 0.00 H ATOM 784 HB3 LYS A 52 12.649 -3.116 -2.042 1.00 0.00 H ATOM 785 HG2 LYS A 52 12.443 -5.241 -0.919 1.00 0.00 H ATOM 786 HG3 LYS A 52 11.123 -4.624 0.102 1.00 0.00 H ATOM 787 HD2 LYS A 52 9.730 -4.293 -1.889 1.00 0.00 H ATOM 788 HD3 LYS A 52 11.052 -4.893 -2.918 1.00 0.00 H ATOM 789 HE2 LYS A 52 9.396 -6.429 -0.891 1.00 0.00 H ATOM 790 HE3 LYS A 52 10.956 -7.042 -1.486 1.00 0.00 H ATOM 791 HZ1 LYS A 52 8.658 -6.215 -3.165 1.00 0.00 H ATOM 792 HZ2 LYS A 52 10.148 -6.800 -3.734 1.00 0.00 H ATOM 793 HZ3 LYS A 52 9.123 -7.815 -2.836 1.00 0.00 H ATOM 794 H LYS A 52 11.238 -2.142 1.185 1.00 0.00 H ATOM 795 N SER A 53 14.588 -1.084 -0.986 1.00 19.71 N ATOM 796 CA SER A 53 15.036 0.121 -1.649 1.00 20.98 C ATOM 797 C SER A 53 15.444 -0.288 -3.040 1.00 22.08 C ATOM 798 O SER A 53 16.235 -1.233 -3.198 1.00 21.78 O ATOM 799 CB SER A 53 16.231 0.718 -0.906 1.00 21.18 C ATOM 800 OG SER A 53 16.741 1.859 -1.580 1.00 22.11 O ATOM 801 HA SER A 53 14.250 0.876 -1.671 1.00 0.00 H ATOM 802 HB2 SER A 53 17.017 -0.034 -0.835 1.00 0.00 H ATOM 803 HB3 SER A 53 15.917 1.009 0.097 1.00 0.00 H ATOM 804 HG SER A 53 17.033 1.600 -2.490 1.00 0.00 H ATOM 805 H SER A 53 15.226 -1.904 -0.943 1.00 0.00 H ATOM 806 N GLU A 54 14.915 0.411 -4.044 1.00 22.41 N ATOM 807 CA GLU A 54 15.240 0.128 -5.444 1.00 23.78 C ATOM 808 C GLU A 54 15.824 1.351 -6.127 1.00 22.72 C ATOM 809 O GLU A 54 15.187 2.401 -6.163 1.00 22.54 O ATOM 810 CB GLU A 54 13.993 -0.342 -6.218 1.00 23.53 C ATOM 811 CG GLU A 54 13.458 -1.693 -5.746 1.00 26.71 C ATOM 812 CD GLU A 54 12.227 -2.176 -6.492 1.00 27.85 C ATOM 813 OE1 GLU A 54 11.775 -1.506 -7.454 1.00 32.80 O ATOM 814 OE2 GLU A 54 11.711 -3.254 -6.110 1.00 34.47 O ATOM 815 HA GLU A 54 15.983 -0.670 -5.448 1.00 0.00 H ATOM 816 HB2 GLU A 54 13.208 0.403 -6.093 1.00 0.00 H ATOM 817 HB3 GLU A 54 14.252 -0.422 -7.274 1.00 0.00 H ATOM 818 HG2 GLU A 54 14.246 -2.435 -5.872 1.00 0.00 H ATOM 819 HG3 GLU A 54 13.205 -1.609 -4.689 1.00 0.00 H ATOM 820 H GLU A 54 14.251 1.181 -3.827 1.00 0.00 H ATOM 821 N SER A 55 17.014 1.217 -6.700 1.00 22.94 N ATOM 822 CA SER A 55 17.606 2.326 -7.485 1.00 22.89 C ATOM 823 C SER A 55 18.541 1.842 -8.583 1.00 22.91 C ATOM 824 O SER A 55 18.905 0.664 -8.610 1.00 22.07 O ATOM 825 CB SER A 55 18.343 3.325 -6.581 1.00 22.76 C ATOM 826 OG SER A 55 19.664 2.909 -6.299 1.00 22.82 O ATOM 827 HA SER A 55 16.766 2.829 -7.964 1.00 0.00 H ATOM 828 HB2 SER A 55 17.796 3.421 -5.643 1.00 0.00 H ATOM 829 HB3 SER A 55 18.378 4.293 -7.081 1.00 0.00 H ATOM 830 HG SER A 55 19.642 2.033 -5.839 1.00 0.00 H ATOM 831 H SER A 55 17.537 0.324 -6.597 1.00 0.00 H ATOM 832 N THR A 56 18.924 2.767 -9.476 1.00 22.81 N ATOM 833 CA THR A 56 19.919 2.502 -10.514 1.00 23.49 C ATOM 834 C THR A 56 21.284 2.189 -9.892 1.00 23.37 C ATOM 835 O THR A 56 22.139 1.555 -10.513 1.00 23.71 O ATOM 836 CB THR A 56 20.034 3.709 -11.483 1.00 23.88 C ATOM 837 OG1 THR A 56 20.416 4.883 -10.759 1.00 24.37 O ATOM 838 CG2 THR A 56 18.648 4.077 -12.058 1.00 23.92 C ATOM 839 HA THR A 56 19.591 1.631 -11.081 1.00 0.00 H ATOM 840 HB THR A 56 20.750 3.423 -12.254 1.00 0.00 H ATOM 841 HG1 THR A 56 20.487 5.647 -11.385 1.00 0.00 H ATOM 842 HG23 THR A 56 18.261 3.238 -12.636 1.00 0.00 H ATOM 843 HG21 THR A 56 17.964 4.302 -11.239 1.00 0.00 H ATOM 844 HG22 THR A 56 18.744 4.951 -12.703 1.00 0.00 H ATOM 845 H THR A 56 18.495 3.713 -9.428 1.00 0.00 H ATOM 846 N PHE A 57 21.488 2.639 -8.663 1.00 23.18 N ATOM 847 CA PHE A 57 22.724 2.340 -7.949 1.00 22.92 C ATOM 848 C PHE A 57 22.707 0.890 -7.436 1.00 23.15 C ATOM 849 O PHE A 57 23.465 0.032 -7.930 1.00 22.84 O ATOM 850 CB PHE A 57 22.944 3.361 -6.812 1.00 23.29 C ATOM 851 CG PHE A 57 23.867 2.878 -5.733 1.00 21.59 C ATOM 852 CD1 PHE A 57 25.113 2.355 -6.043 1.00 22.49 C ATOM 853 CD2 PHE A 57 23.477 2.932 -4.406 1.00 23.06 C ATOM 854 CE1 PHE A 57 25.970 1.875 -5.039 1.00 23.33 C ATOM 855 CE2 PHE A 57 24.326 2.469 -3.393 1.00 22.22 C ATOM 856 CZ PHE A 57 25.564 1.950 -3.711 1.00 23.72 C ATOM 857 HA PHE A 57 23.568 2.430 -8.633 1.00 0.00 H ATOM 858 HB2 PHE A 57 23.365 4.270 -7.243 1.00 0.00 H ATOM 859 HB3 PHE A 57 21.978 3.587 -6.362 1.00 0.00 H ATOM 860 HD2 PHE A 57 22.500 3.339 -4.147 1.00 0.00 H ATOM 861 HE2 PHE A 57 24.008 2.519 -2.352 1.00 0.00 H ATOM 862 HZ PHE A 57 26.226 1.598 -2.920 1.00 0.00 H ATOM 863 HE1 PHE A 57 26.940 1.450 -5.297 1.00 0.00 H ATOM 864 HD1 PHE A 57 25.433 2.316 -7.084 1.00 0.00 H ATOM 865 H PHE A 57 20.756 3.214 -8.200 1.00 0.00 H ATOM 866 N LYS A 58 21.825 0.602 -6.479 1.00 22.76 N ATOM 867 CA LYS A 58 21.769 -0.738 -5.885 1.00 23.37 C ATOM 868 C LYS A 58 20.373 -1.027 -5.342 1.00 22.42 C ATOM 869 O LYS A 58 19.734 -0.136 -4.819 1.00 22.49 O ATOM 870 CB LYS A 58 22.802 -0.847 -4.755 1.00 24.01 C ATOM 871 CG LYS A 58 23.336 -2.250 -4.541 1.00 27.05 C ATOM 872 CD LYS A 58 24.733 -2.239 -3.947 1.00 34.54 C ATOM 873 CE LYS A 58 25.129 -3.642 -3.468 1.00 38.01 C ATOM 874 NZ LYS A 58 26.278 -3.633 -2.483 1.00 40.73 N ATOM 875 HA LYS A 58 21.998 -1.472 -6.657 1.00 0.00 H ATOM 876 HB2 LYS A 58 23.641 -0.193 -4.993 1.00 0.00 H ATOM 877 HB3 LYS A 58 22.334 -0.513 -3.829 1.00 0.00 H ATOM 878 HG2 LYS A 58 22.669 -2.782 -3.863 1.00 0.00 H ATOM 879 HG3 LYS A 58 23.365 -2.767 -5.500 1.00 0.00 H ATOM 880 HD2 LYS A 58 25.442 -1.906 -4.705 1.00 0.00 H ATOM 881 HD3 LYS A 58 24.757 -1.552 -3.101 1.00 0.00 H ATOM 882 HE2 LYS A 58 25.420 -4.235 -4.335 1.00 0.00 H ATOM 883 HE3 LYS A 58 24.265 -4.102 -2.988 1.00 0.00 H ATOM 884 HZ1 LYS A 58 27.114 -3.206 -2.931 1.00 0.00 H ATOM 885 HZ2 LYS A 58 26.010 -3.078 -1.645 1.00 0.00 H ATOM 886 HZ3 LYS A 58 26.497 -4.609 -2.198 1.00 0.00 H ATOM 887 H LYS A 58 21.168 1.337 -6.149 1.00 0.00 H ATOM 888 N ASN A 59 19.880 -2.253 -5.485 1.00 21.23 N ATOM 889 CA ASN A 59 18.687 -2.627 -4.724 1.00 20.95 C ATOM 890 C ASN A 59 19.104 -3.225 -3.390 1.00 20.79 C ATOM 891 O ASN A 59 20.110 -3.936 -3.313 1.00 20.89 O ATOM 892 CB ASN A 59 17.821 -3.630 -5.483 1.00 21.61 C ATOM 893 CG ASN A 59 17.269 -3.073 -6.786 1.00 22.14 C ATOM 894 OD1 ASN A 59 17.354 -1.870 -7.070 1.00 21.64 O ATOM 895 ND2 ASN A 59 16.700 -3.956 -7.588 1.00 23.14 N ATOM 896 HA ASN A 59 18.095 -1.726 -4.566 1.00 0.00 H ATOM 897 HB2 ASN A 59 18.424 -4.509 -5.709 1.00 0.00 H ATOM 898 HB3 ASN A 59 16.985 -3.919 -4.846 1.00 0.00 H ATOM 899 HD22 ASN A 59 16.651 -4.957 -7.309 1.00 0.00 H ATOM 900 HD21 ASN A 59 16.301 -3.650 -8.499 1.00 0.00 H ATOM 901 H ASN A 59 20.334 -2.934 -6.126 1.00 0.00 H ATOM 902 N THR A 60 18.362 -2.935 -2.328 1.00 19.67 N ATOM 903 CA THR A 60 18.601 -3.635 -1.074 1.00 19.64 C ATOM 904 C THR A 60 17.266 -4.006 -0.463 1.00 19.17 C ATOM 905 O THR A 60 16.225 -3.439 -0.832 1.00 18.96 O ATOM 906 CB THR A 60 19.369 -2.759 -0.062 1.00 19.59 C ATOM 907 OG1 THR A 60 18.593 -1.591 0.217 1.00 19.89 O ATOM 908 CG2 THR A 60 20.693 -2.238 -0.633 1.00 20.13 C ATOM 909 HA THR A 60 19.203 -4.517 -1.291 1.00 0.00 H ATOM 910 HB THR A 60 19.555 -3.379 0.815 1.00 0.00 H ATOM 911 HG1 THR A 60 19.077 -1.022 0.866 1.00 0.00 H ATOM 912 HG23 THR A 60 21.341 -3.081 -0.871 1.00 0.00 H ATOM 913 HG21 THR A 60 20.496 -1.663 -1.538 1.00 0.00 H ATOM 914 HG22 THR A 60 21.180 -1.601 0.105 1.00 0.00 H ATOM 915 H THR A 60 17.616 -2.213 -2.391 1.00 0.00 H ATOM 916 N GLU A 61 17.303 -4.945 0.472 1.00 18.54 N ATOM 917 CA GLU A 61 16.113 -5.314 1.232 1.00 18.47 C ATOM 918 C GLU A 61 16.484 -5.747 2.629 1.00 19.05 C ATOM 919 O GLU A 61 17.445 -6.495 2.818 1.00 18.88 O ATOM 920 CB GLU A 61 15.363 -6.449 0.528 1.00 17.92 C ATOM 921 CG GLU A 61 14.094 -6.911 1.239 1.00 18.33 C ATOM 922 CD GLU A 61 13.354 -7.952 0.428 1.00 18.32 C ATOM 923 OE1 GLU A 61 13.115 -7.719 -0.782 1.00 19.00 O ATOM 924 OE2 GLU A 61 13.022 -9.010 0.996 1.00 17.56 O ATOM 925 HA GLU A 61 15.467 -4.438 1.294 1.00 0.00 H ATOM 926 HB2 GLU A 61 15.088 -6.107 -0.470 1.00 0.00 H ATOM 927 HB3 GLU A 61 16.037 -7.302 0.446 1.00 0.00 H ATOM 928 HG2 GLU A 61 14.364 -7.339 2.204 1.00 0.00 H ATOM 929 HG3 GLU A 61 13.441 -6.052 1.394 1.00 0.00 H ATOM 930 H GLU A 61 18.202 -5.430 0.669 1.00 0.00 H ATOM 931 N ILE A 62 15.713 -5.284 3.608 1.00 19.28 N ATOM 932 CA ILE A 62 15.760 -5.850 4.956 1.00 20.61 C ATOM 933 C ILE A 62 14.377 -6.298 5.392 1.00 20.69 C ATOM 934 O ILE A 62 13.395 -5.603 5.134 1.00 20.55 O ATOM 935 CB ILE A 62 16.342 -4.862 5.992 1.00 20.38 C ATOM 936 CG1 ILE A 62 15.596 -3.513 5.960 1.00 20.70 C ATOM 937 CG2 ILE A 62 17.859 -4.719 5.801 1.00 20.81 C ATOM 938 CD1 ILE A 62 15.915 -2.574 7.123 1.00 20.49 C ATOM 939 HA ILE A 62 16.427 -6.711 4.913 1.00 0.00 H ATOM 940 HB ILE A 62 16.186 -5.265 6.993 1.00 0.00 H ATOM 941 HG12 ILE A 62 15.856 -3.004 5.032 1.00 0.00 H ATOM 942 HG13 ILE A 62 14.525 -3.717 5.973 1.00 0.00 H ATOM 943 HD11 ILE A 62 15.649 -3.058 8.063 1.00 0.00 H ATOM 944 HD12 ILE A 62 16.980 -2.344 7.121 1.00 0.00 H ATOM 945 HD13 ILE A 62 15.343 -1.653 7.012 1.00 0.00 H ATOM 946 HG21 ILE A 62 18.334 -5.692 5.931 1.00 0.00 H ATOM 947 HG22 ILE A 62 18.064 -4.345 4.798 1.00 0.00 H ATOM 948 HG23 ILE A 62 18.252 -4.020 6.539 1.00 0.00 H ATOM 949 H ILE A 62 15.060 -4.499 3.410 1.00 0.00 H ATOM 950 N SER A 63 14.317 -7.455 6.055 1.00 20.61 N ATOM 951 CA SER A 63 13.104 -7.901 6.742 1.00 20.90 C ATOM 952 C SER A 63 13.465 -8.120 8.204 1.00 20.96 C ATOM 953 O SER A 63 14.521 -8.681 8.517 1.00 20.80 O ATOM 954 CB SER A 63 12.529 -9.192 6.136 1.00 21.23 C ATOM 955 OG SER A 63 11.952 -8.942 4.868 1.00 21.88 O ATOM 956 HA SER A 63 12.330 -7.142 6.633 1.00 0.00 H ATOM 957 HB2 SER A 63 11.765 -9.590 6.804 1.00 0.00 H ATOM 958 HB3 SER A 63 13.330 -9.923 6.026 1.00 0.00 H ATOM 959 HG SER A 63 11.221 -8.282 4.964 1.00 0.00 H ATOM 960 H SER A 63 15.162 -8.061 6.084 1.00 0.00 H ATOM 961 N PHE A 64 12.606 -7.648 9.101 1.00 20.21 N ATOM 962 CA PHE A 64 12.949 -7.638 10.498 1.00 20.19 C ATOM 963 C PHE A 64 11.699 -7.663 11.349 1.00 21.09 C ATOM 964 O PHE A 64 10.588 -7.336 10.880 1.00 20.77 O ATOM 965 CB PHE A 64 13.792 -6.396 10.849 1.00 19.86 C ATOM 966 CG PHE A 64 13.141 -5.096 10.444 1.00 19.31 C ATOM 967 CD1 PHE A 64 13.286 -4.612 9.139 1.00 20.24 C ATOM 968 CD2 PHE A 64 12.341 -4.391 11.343 1.00 19.51 C ATOM 969 CE1 PHE A 64 12.651 -3.428 8.743 1.00 19.69 C ATOM 970 CE2 PHE A 64 11.707 -3.209 10.963 1.00 19.26 C ATOM 971 CZ PHE A 64 11.871 -2.728 9.657 1.00 19.74 C ATOM 972 HA PHE A 64 13.540 -8.530 10.704 1.00 0.00 H ATOM 973 HB2 PHE A 64 13.953 -6.381 11.927 1.00 0.00 H ATOM 974 HB3 PHE A 64 14.753 -6.475 10.340 1.00 0.00 H ATOM 975 HD2 PHE A 64 12.210 -4.769 12.357 1.00 0.00 H ATOM 976 HE2 PHE A 64 11.089 -2.663 11.676 1.00 0.00 H ATOM 977 HZ PHE A 64 11.385 -1.800 9.356 1.00 0.00 H ATOM 978 HE1 PHE A 64 12.768 -3.058 7.725 1.00 0.00 H ATOM 979 HD1 PHE A 64 13.899 -5.161 8.424 1.00 0.00 H ATOM 980 H PHE A 64 11.682 -7.284 8.792 1.00 0.00 H ATOM 981 N ILE A 65 11.902 -8.075 12.601 1.00 20.97 N ATOM 982 CA ILE A 65 10.916 -7.927 13.663 1.00 21.21 C ATOM 983 C ILE A 65 11.427 -6.829 14.610 1.00 21.28 C ATOM 984 O ILE A 65 12.607 -6.772 14.934 1.00 21.18 O ATOM 985 CB ILE A 65 10.700 -9.302 14.391 1.00 21.80 C ATOM 986 CG1 ILE A 65 10.010 -10.299 13.439 1.00 20.97 C ATOM 987 CG2 ILE A 65 9.841 -9.132 15.667 1.00 21.40 C ATOM 988 CD1 ILE A 65 10.319 -11.762 13.719 1.00 25.17 C ATOM 989 HA ILE A 65 9.942 -7.633 13.272 1.00 0.00 H ATOM 990 HB ILE A 65 11.678 -9.685 14.681 1.00 0.00 H ATOM 991 HG12 ILE A 65 8.932 -10.157 13.521 1.00 0.00 H ATOM 992 HG13 ILE A 65 10.328 -10.073 12.421 1.00 0.00 H ATOM 993 HD11 ILE A 65 11.392 -11.929 13.628 1.00 0.00 H ATOM 994 HD12 ILE A 65 9.995 -12.014 14.729 1.00 0.00 H ATOM 995 HD13 ILE A 65 9.790 -12.388 13.000 1.00 0.00 H ATOM 996 HG21 ILE A 65 10.343 -8.450 16.353 1.00 0.00 H ATOM 997 HG22 ILE A 65 8.867 -8.725 15.396 1.00 0.00 H ATOM 998 HG23 ILE A 65 9.710 -10.102 16.147 1.00 0.00 H ATOM 999 H ILE A 65 12.811 -8.525 12.831 1.00 0.00 H ATOM 1000 N LEU A 66 10.534 -5.943 15.020 1.00 21.77 N ATOM 1001 CA LEU A 66 10.868 -4.889 15.956 1.00 22.50 C ATOM 1002 C LEU A 66 11.544 -5.470 17.217 1.00 23.01 C ATOM 1003 O LEU A 66 11.056 -6.445 17.810 1.00 22.95 O ATOM 1004 CB LEU A 66 9.610 -4.086 16.307 1.00 21.62 C ATOM 1005 CG LEU A 66 8.927 -3.279 15.192 1.00 21.92 C ATOM 1006 CD1 LEU A 66 7.581 -2.730 15.657 1.00 20.80 C ATOM 1007 CD2 LEU A 66 9.835 -2.139 14.627 1.00 22.13 C ATOM 1008 HA LEU A 66 11.584 -4.212 15.490 1.00 0.00 H ATOM 1009 HB2 LEU A 66 8.874 -4.791 16.693 1.00 0.00 H ATOM 1010 HB3 LEU A 66 9.885 -3.383 17.093 1.00 0.00 H ATOM 1011 HG LEU A 66 8.751 -3.972 14.370 1.00 0.00 H ATOM 1012 HD21 LEU A 66 10.091 -1.448 15.430 1.00 0.00 H ATOM 1013 HD22 LEU A 66 10.746 -2.573 14.215 1.00 0.00 H ATOM 1014 HD23 LEU A 66 9.299 -1.604 13.843 1.00 0.00 H ATOM 1015 HD11 LEU A 66 6.930 -3.558 15.938 1.00 0.00 H ATOM 1016 HD12 LEU A 66 7.734 -2.078 16.517 1.00 0.00 H ATOM 1017 HD13 LEU A 66 7.122 -2.164 14.847 1.00 0.00 H ATOM 1018 H LEU A 66 9.561 -6.005 14.659 1.00 0.00 H ATOM 1019 N GLY A 67 12.693 -4.900 17.573 1.00 23.73 N ATOM 1020 CA GLY A 67 13.418 -5.259 18.799 1.00 24.49 C ATOM 1021 C GLY A 67 14.290 -6.494 18.691 1.00 25.06 C ATOM 1022 O GLY A 67 14.833 -6.958 19.687 1.00 25.98 O ATOM 1023 HA3 GLY A 67 12.685 -5.430 19.587 1.00 0.00 H ATOM 1024 HA2 GLY A 67 14.055 -4.418 19.074 1.00 0.00 H ATOM 1025 H GLY A 67 13.096 -4.167 16.955 1.00 0.00 H ATOM 1026 N GLN A 68 14.417 -7.038 17.488 1.00 25.54 N ATOM 1027 CA GLN A 68 15.237 -8.215 17.249 1.00 25.57 C ATOM 1028 C GLN A 68 16.418 -7.834 16.366 1.00 25.94 C ATOM 1029 O GLN A 68 16.254 -7.423 15.201 1.00 25.81 O ATOM 1030 CB GLN A 68 14.419 -9.328 16.605 1.00 25.76 C ATOM 1031 CG GLN A 68 15.236 -10.558 16.248 1.00 26.96 C ATOM 1032 CD GLN A 68 14.467 -11.527 15.370 1.00 30.74 C ATOM 1033 OE1 GLN A 68 13.548 -12.217 15.834 1.00 31.51 O ATOM 1034 NE2 GLN A 68 14.843 -11.590 14.103 1.00 30.10 N ATOM 1035 HA GLN A 68 15.607 -8.590 18.203 1.00 0.00 H ATOM 1036 HB2 GLN A 68 13.634 -9.626 17.301 1.00 0.00 H ATOM 1037 HB3 GLN A 68 13.966 -8.939 15.693 1.00 0.00 H ATOM 1038 HG2 GLN A 68 16.134 -10.241 15.717 1.00 0.00 H ATOM 1039 HG3 GLN A 68 15.521 -11.069 17.168 1.00 0.00 H ATOM 1040 HE22 GLN A 68 15.621 -10.990 13.761 1.00 0.00 H ATOM 1041 HE21 GLN A 68 14.361 -12.239 13.449 1.00 0.00 H ATOM 1042 H GLN A 68 13.912 -6.607 16.687 1.00 0.00 H ATOM 1043 N GLU A 69 17.614 -7.953 16.935 1.00 25.85 N ATOM 1044 CA GLU A 69 18.827 -7.637 16.210 1.00 25.07 C ATOM 1045 C GLU A 69 18.977 -8.622 15.060 1.00 24.39 C ATOM 1046 O GLU A 69 18.634 -9.796 15.208 1.00 23.77 O ATOM 1047 CB GLU A 69 20.033 -7.681 17.138 1.00 24.84 C ATOM 1048 CG GLU A 69 21.310 -7.113 16.529 1.00 26.26 C ATOM 1049 CD GLU A 69 22.499 -7.191 17.468 1.00 26.61 C ATOM 1050 OE1 GLU A 69 22.870 -8.308 17.872 1.00 26.65 O ATOM 1051 OE2 GLU A 69 23.071 -6.133 17.790 1.00 29.91 O ATOM 1052 HA GLU A 69 18.767 -6.625 15.809 1.00 0.00 H ATOM 1053 HB2 GLU A 69 19.796 -7.107 18.034 1.00 0.00 H ATOM 1054 HB3 GLU A 69 20.217 -8.720 17.411 1.00 0.00 H ATOM 1055 HG2 GLU A 69 21.544 -7.675 15.624 1.00 0.00 H ATOM 1056 HG3 GLU A 69 21.138 -6.068 16.272 1.00 0.00 H ATOM 1057 H GLU A 69 17.679 -8.279 17.920 1.00 0.00 H ATOM 1058 N PHE A 70 19.491 -8.135 13.928 1.00 23.05 N ATOM 1059 CA PHE A 70 19.680 -8.949 12.738 1.00 22.79 C ATOM 1060 C PHE A 70 20.919 -8.478 11.977 1.00 22.98 C ATOM 1061 O PHE A 70 21.399 -7.360 12.207 1.00 23.14 O ATOM 1062 CB PHE A 70 18.406 -8.962 11.859 1.00 22.28 C ATOM 1063 CG PHE A 70 18.042 -7.612 11.234 1.00 22.18 C ATOM 1064 CD1 PHE A 70 17.377 -6.630 11.973 1.00 21.51 C ATOM 1065 CD2 PHE A 70 18.327 -7.359 9.888 1.00 20.49 C ATOM 1066 CE1 PHE A 70 17.039 -5.383 11.397 1.00 21.94 C ATOM 1067 CE2 PHE A 70 17.980 -6.137 9.294 1.00 20.63 C ATOM 1068 CZ PHE A 70 17.344 -5.139 10.053 1.00 20.04 C ATOM 1069 HA PHE A 70 19.851 -9.983 13.036 1.00 0.00 H ATOM 1070 HB2 PHE A 70 18.558 -9.679 11.052 1.00 0.00 H ATOM 1071 HB3 PHE A 70 17.570 -9.285 12.479 1.00 0.00 H ATOM 1072 HD2 PHE A 70 18.826 -8.123 9.292 1.00 0.00 H ATOM 1073 HE2 PHE A 70 18.204 -5.961 8.242 1.00 0.00 H ATOM 1074 HZ PHE A 70 17.090 -4.182 9.598 1.00 0.00 H ATOM 1075 HE1 PHE A 70 16.545 -4.618 11.995 1.00 0.00 H ATOM 1076 HD1 PHE A 70 17.114 -6.828 13.012 1.00 0.00 H ATOM 1077 H PHE A 70 19.767 -7.133 13.896 1.00 0.00 H ATOM 1078 N ASP A 71 21.463 -9.347 11.124 1.00 22.57 N ATOM 1079 CA ASP A 71 22.629 -9.016 10.305 1.00 22.88 C ATOM 1080 C ASP A 71 22.157 -8.336 9.044 1.00 22.75 C ATOM 1081 O ASP A 71 21.244 -8.831 8.360 1.00 22.57 O ATOM 1082 CB ASP A 71 23.441 -10.258 9.930 1.00 23.12 C ATOM 1083 CG ASP A 71 23.997 -10.970 11.131 1.00 24.06 C ATOM 1084 OD1 ASP A 71 24.763 -10.361 11.884 1.00 22.74 O ATOM 1085 OD2 ASP A 71 23.714 -12.148 11.408 1.00 26.92 O ATOM 1086 HA ASP A 71 23.276 -8.360 10.887 1.00 0.00 H ATOM 1087 HB2 ASP A 71 22.795 -10.946 9.384 1.00 0.00 H ATOM 1088 HB3 ASP A 71 24.269 -9.954 9.290 1.00 0.00 H ATOM 1089 H ASP A 71 21.043 -10.294 11.038 1.00 0.00 H ATOM 1090 N GLU A 72 22.764 -7.192 8.748 1.00 21.84 N ATOM 1091 CA GLU A 72 22.412 -6.452 7.552 1.00 21.34 C ATOM 1092 C GLU A 72 23.651 -6.214 6.690 1.00 21.70 C ATOM 1093 O GLU A 72 24.706 -5.881 7.212 1.00 21.25 O ATOM 1094 CB GLU A 72 21.716 -5.139 7.931 1.00 21.13 C ATOM 1095 CG GLU A 72 21.684 -4.135 6.789 1.00 21.09 C ATOM 1096 CD GLU A 72 20.885 -2.886 7.082 1.00 20.96 C ATOM 1097 OE1 GLU A 72 20.675 -2.549 8.271 1.00 20.12 O ATOM 1098 OE2 GLU A 72 20.486 -2.229 6.098 1.00 19.38 O ATOM 1099 HA GLU A 72 21.711 -7.038 6.958 1.00 0.00 H ATOM 1100 HB2 GLU A 72 20.691 -5.361 8.228 1.00 0.00 H ATOM 1101 HB3 GLU A 72 22.248 -4.693 8.772 1.00 0.00 H ATOM 1102 HG2 GLU A 72 22.709 -3.840 6.564 1.00 0.00 H ATOM 1103 HG3 GLU A 72 21.248 -4.623 5.917 1.00 0.00 H ATOM 1104 H GLU A 72 23.501 -6.823 9.382 1.00 0.00 H ATOM 1105 N VAL A 73 23.530 -6.449 5.377 1.00 21.92 N ATOM 1106 CA VAL A 73 24.534 -5.982 4.415 1.00 22.08 C ATOM 1107 C VAL A 73 23.985 -4.690 3.797 1.00 21.91 C ATOM 1108 O VAL A 73 22.900 -4.698 3.201 1.00 21.42 O ATOM 1109 CB VAL A 73 24.825 -7.025 3.293 1.00 22.58 C ATOM 1110 CG1 VAL A 73 25.849 -6.465 2.291 1.00 24.01 C ATOM 1111 CG2 VAL A 73 25.323 -8.373 3.861 1.00 21.72 C ATOM 1112 HA VAL A 73 25.481 -5.822 4.931 1.00 0.00 H ATOM 1113 HB VAL A 73 23.882 -7.214 2.780 1.00 0.00 H ATOM 1114 HG11 VAL A 73 25.452 -5.557 1.837 1.00 0.00 H ATOM 1115 HG12 VAL A 73 26.778 -6.236 2.813 1.00 0.00 H ATOM 1116 HG13 VAL A 73 26.040 -7.207 1.515 1.00 0.00 H ATOM 1117 HG21 VAL A 73 26.244 -8.212 4.420 1.00 0.00 H ATOM 1118 HG22 VAL A 73 24.563 -8.790 4.522 1.00 0.00 H ATOM 1119 HG23 VAL A 73 25.511 -9.065 3.040 1.00 0.00 H ATOM 1120 H VAL A 73 22.703 -6.976 5.031 1.00 0.00 H ATOM 1121 N THR A 74 24.712 -3.585 3.956 1.00 21.29 N ATOM 1122 CA THR A 74 24.231 -2.300 3.452 1.00 21.41 C ATOM 1123 C THR A 74 24.520 -2.162 1.961 1.00 21.23 C ATOM 1124 O THR A 74 25.237 -2.984 1.379 1.00 20.68 O ATOM 1125 CB THR A 74 24.802 -1.100 4.253 1.00 20.85 C ATOM 1126 OG1 THR A 74 26.234 -1.095 4.185 1.00 21.69 O ATOM 1127 CG2 THR A 74 24.504 -1.253 5.757 1.00 20.48 C ATOM 1128 HA THR A 74 23.150 -2.281 3.594 1.00 0.00 H ATOM 1129 HB THR A 74 24.351 -0.204 3.828 1.00 0.00 H ATOM 1130 HG1 THR A 74 26.518 -1.019 3.240 1.00 0.00 H ATOM 1131 HG23 THR A 74 23.425 -1.267 5.913 1.00 0.00 H ATOM 1132 HG21 THR A 74 24.937 -2.185 6.119 1.00 0.00 H ATOM 1133 HG22 THR A 74 24.940 -0.414 6.300 1.00 0.00 H ATOM 1134 H THR A 74 25.630 -3.637 4.443 1.00 0.00 H ATOM 1135 N ALA A 75 23.955 -1.121 1.353 1.00 20.68 N ATOM 1136 CA ALA A 75 24.229 -0.822 -0.055 1.00 21.35 C ATOM 1137 C ALA A 75 25.732 -0.597 -0.331 1.00 21.35 C ATOM 1138 O ALA A 75 26.214 -0.936 -1.408 1.00 21.57 O ATOM 1139 CB ALA A 75 23.398 0.376 -0.526 1.00 21.00 C ATOM 1140 HA ALA A 75 23.934 -1.699 -0.631 1.00 0.00 H ATOM 1141 HB1 ALA A 75 22.338 0.148 -0.413 1.00 0.00 H ATOM 1142 HB2 ALA A 75 23.649 1.250 0.076 1.00 0.00 H ATOM 1143 HB3 ALA A 75 23.618 0.580 -1.574 1.00 0.00 H ATOM 1144 H ALA A 75 23.307 -0.508 1.888 1.00 0.00 H ATOM 1145 N ASP A 76 26.457 -0.036 0.638 1.00 21.27 N ATOM 1146 CA ASP A 76 27.917 0.126 0.526 1.00 21.95 C ATOM 1147 C ASP A 76 28.732 -1.081 1.013 1.00 22.97 C ATOM 1148 O ASP A 76 29.954 -0.981 1.176 1.00 23.56 O ATOM 1149 CB ASP A 76 28.399 1.397 1.232 1.00 21.07 C ATOM 1150 CG ASP A 76 28.082 1.412 2.707 1.00 20.74 C ATOM 1151 OD1 ASP A 76 26.918 1.127 3.065 1.00 21.92 O ATOM 1152 OD2 ASP A 76 28.912 1.745 3.587 1.00 18.50 O ATOM 1153 HA ASP A 76 28.100 0.209 -0.545 1.00 0.00 H ATOM 1154 HB2 ASP A 76 29.479 1.474 1.108 1.00 0.00 H ATOM 1155 HB3 ASP A 76 27.919 2.257 0.765 1.00 0.00 H ATOM 1156 H ASP A 76 25.977 0.297 1.498 1.00 0.00 H ATOM 1157 N ASP A 77 28.064 -2.212 1.231 1.00 23.82 N ATOM 1158 CA ASP A 77 28.725 -3.467 1.608 1.00 24.92 C ATOM 1159 C ASP A 77 29.305 -3.519 3.031 1.00 24.73 C ATOM 1160 O ASP A 77 30.272 -4.251 3.282 1.00 25.06 O ATOM 1161 CB ASP A 77 29.812 -3.851 0.584 1.00 25.88 C ATOM 1162 CG ASP A 77 29.242 -4.248 -0.756 1.00 29.01 C ATOM 1163 OD1 ASP A 77 28.142 -4.849 -0.809 1.00 34.25 O ATOM 1164 OD2 ASP A 77 29.834 -4.004 -1.833 1.00 35.47 O ATOM 1165 HA ASP A 77 27.917 -4.199 1.602 1.00 0.00 H ATOM 1166 HB2 ASP A 77 30.474 -2.997 0.442 1.00 0.00 H ATOM 1167 HB3 ASP A 77 30.384 -4.690 0.981 1.00 0.00 H ATOM 1168 H ASP A 77 27.029 -2.206 1.130 1.00 0.00 H ATOM 1169 N ARG A 78 28.752 -2.736 3.955 1.00 23.95 N ATOM 1170 CA ARG A 78 29.117 -2.889 5.364 1.00 23.54 C ATOM 1171 C ARG A 78 28.324 -4.072 5.905 1.00 23.61 C ATOM 1172 O ARG A 78 27.177 -4.284 5.499 1.00 23.19 O ATOM 1173 CB ARG A 78 28.782 -1.634 6.181 1.00 23.30 C ATOM 1174 CG ARG A 78 29.792 -0.496 6.128 1.00 22.52 C ATOM 1175 CD ARG A 78 29.273 0.804 6.761 1.00 22.87 C ATOM 1176 NE ARG A 78 28.087 1.287 6.037 1.00 20.94 N ATOM 1177 CZ ARG A 78 26.923 1.641 6.572 1.00 20.57 C ATOM 1178 NH1 ARG A 78 26.730 1.644 7.893 1.00 20.73 N ATOM 1179 NH2 ARG A 78 25.944 2.037 5.765 1.00 21.10 N ATOM 1180 HA ARG A 78 30.192 -3.048 5.446 1.00 0.00 H ATOM 1181 HB2 ARG A 78 27.829 -1.248 5.819 1.00 0.00 H ATOM 1182 HB3 ARG A 78 28.678 -1.936 7.223 1.00 0.00 H ATOM 1183 HG2 ARG A 78 30.691 -0.806 6.660 1.00 0.00 H ATOM 1184 HG3 ARG A 78 30.038 -0.299 5.085 1.00 0.00 H ATOM 1185 HD2 ARG A 78 30.055 1.562 6.718 1.00 0.00 H ATOM 1186 HD3 ARG A 78 29.008 0.617 7.802 1.00 0.00 H ATOM 1187 HE ARG A 78 28.167 1.359 5.003 1.00 0.00 H ATOM 1188 HH12 ARG A 78 25.808 1.926 8.283 1.00 0.00 H ATOM 1189 HH11 ARG A 78 27.502 1.364 8.532 1.00 0.00 H ATOM 1190 HH22 ARG A 78 25.025 2.319 6.162 1.00 0.00 H ATOM 1191 HH21 ARG A 78 26.097 2.065 4.737 1.00 0.00 H ATOM 1192 H ARG A 78 28.059 -2.013 3.675 1.00 0.00 H ATOM 1193 N LYS A 79 28.933 -4.836 6.806 1.00 23.69 N ATOM 1194 CA LYS A 79 28.222 -5.886 7.528 1.00 24.26 C ATOM 1195 C LYS A 79 27.982 -5.364 8.940 1.00 23.81 C ATOM 1196 O LYS A 79 28.912 -5.196 9.739 1.00 23.87 O ATOM 1197 CB LYS A 79 29.022 -7.192 7.528 1.00 25.36 C ATOM 1198 CG LYS A 79 29.377 -7.673 6.118 1.00 28.39 C ATOM 1199 CD LYS A 79 30.486 -8.705 6.152 1.00 35.21 C ATOM 1200 CE LYS A 79 30.805 -9.217 4.756 1.00 37.84 C ATOM 1201 NZ LYS A 79 31.722 -10.396 4.838 1.00 41.76 N ATOM 1202 HA LYS A 79 27.272 -6.119 7.047 1.00 0.00 H ATOM 1203 HB2 LYS A 79 29.946 -7.035 8.085 1.00 0.00 H ATOM 1204 HB3 LYS A 79 28.429 -7.963 8.020 1.00 0.00 H ATOM 1205 HG2 LYS A 79 28.493 -8.116 5.660 1.00 0.00 H ATOM 1206 HG3 LYS A 79 29.703 -6.820 5.523 1.00 0.00 H ATOM 1207 HD2 LYS A 79 31.381 -8.251 6.578 1.00 0.00 H ATOM 1208 HD3 LYS A 79 30.173 -9.543 6.775 1.00 0.00 H ATOM 1209 HE2 LYS A 79 31.286 -8.425 4.182 1.00 0.00 H ATOM 1210 HE3 LYS A 79 29.880 -9.513 4.260 1.00 0.00 H ATOM 1211 HZ1 LYS A 79 32.605 -10.114 5.309 1.00 0.00 H ATOM 1212 HZ2 LYS A 79 31.263 -11.153 5.383 1.00 0.00 H ATOM 1213 HZ3 LYS A 79 31.933 -10.737 3.878 1.00 0.00 H ATOM 1214 H LYS A 79 29.943 -4.681 7.002 1.00 0.00 H ATOM 1215 N VAL A 80 26.726 -5.058 9.221 1.00 22.94 N ATOM 1216 CA VAL A 80 26.373 -4.361 10.425 1.00 22.06 C ATOM 1217 C VAL A 80 25.360 -5.182 11.204 1.00 21.55 C ATOM 1218 O VAL A 80 24.664 -6.024 10.640 1.00 21.00 O ATOM 1219 CB VAL A 80 25.762 -2.962 10.110 1.00 22.23 C ATOM 1220 CG1 VAL A 80 26.689 -2.145 9.203 1.00 20.86 C ATOM 1221 CG2 VAL A 80 24.360 -3.108 9.483 1.00 21.09 C ATOM 1222 HA VAL A 80 27.279 -4.218 11.014 1.00 0.00 H ATOM 1223 HB VAL A 80 25.658 -2.420 11.050 1.00 0.00 H ATOM 1224 HG11 VAL A 80 27.649 -2.003 9.700 1.00 0.00 H ATOM 1225 HG12 VAL A 80 26.840 -2.679 8.265 1.00 0.00 H ATOM 1226 HG13 VAL A 80 26.235 -1.175 9.001 1.00 0.00 H ATOM 1227 HG21 VAL A 80 24.435 -3.677 8.556 1.00 0.00 H ATOM 1228 HG22 VAL A 80 23.704 -3.631 10.180 1.00 0.00 H ATOM 1229 HG23 VAL A 80 23.953 -2.119 9.272 1.00 0.00 H ATOM 1230 H VAL A 80 25.976 -5.329 8.553 1.00 0.00 H ATOM 1231 N LYS A 81 25.298 -4.917 12.501 1.00 21.03 N ATOM 1232 CA LYS A 81 24.259 -5.442 13.363 1.00 21.48 C ATOM 1233 C LYS A 81 23.194 -4.363 13.523 1.00 20.94 C ATOM 1234 O LYS A 81 23.479 -3.273 14.026 1.00 20.68 O ATOM 1235 CB LYS A 81 24.849 -5.805 14.725 1.00 21.95 C ATOM 1236 CG LYS A 81 25.865 -6.910 14.683 1.00 22.81 C ATOM 1237 CD LYS A 81 25.216 -8.258 14.416 1.00 24.73 C ATOM 1238 CE LYS A 81 26.251 -9.377 14.503 1.00 25.65 C ATOM 1239 NZ LYS A 81 25.604 -10.699 14.236 1.00 28.08 N ATOM 1240 HA LYS A 81 23.822 -6.341 12.930 1.00 0.00 H ATOM 1241 HB2 LYS A 81 25.327 -4.917 15.138 1.00 0.00 H ATOM 1242 HB3 LYS A 81 24.034 -6.115 15.379 1.00 0.00 H ATOM 1243 HG2 LYS A 81 26.584 -6.700 13.891 1.00 0.00 H ATOM 1244 HG3 LYS A 81 26.384 -6.950 15.641 1.00 0.00 H ATOM 1245 HD2 LYS A 81 24.435 -8.433 15.156 1.00 0.00 H ATOM 1246 HD3 LYS A 81 24.776 -8.253 13.419 1.00 0.00 H ATOM 1247 HE2 LYS A 81 26.690 -9.385 15.501 1.00 0.00 H ATOM 1248 HE3 LYS A 81 27.033 -9.203 13.764 1.00 0.00 H ATOM 1249 HZ1 LYS A 81 24.859 -10.868 14.941 1.00 0.00 H ATOM 1250 HZ2 LYS A 81 25.187 -10.693 13.283 1.00 0.00 H ATOM 1251 HZ3 LYS A 81 26.319 -11.452 14.298 1.00 0.00 H ATOM 1252 H LYS A 81 26.028 -4.305 12.919 1.00 0.00 H ATOM 1253 N SER A 82 21.982 -4.665 13.055 1.00 20.38 N ATOM 1254 CA SER A 82 20.893 -3.694 13.011 1.00 19.81 C ATOM 1255 C SER A 82 19.787 -4.042 13.991 1.00 19.88 C ATOM 1256 O SER A 82 19.401 -5.216 14.130 1.00 19.78 O ATOM 1257 CB SER A 82 20.293 -3.610 11.611 1.00 19.56 C ATOM 1258 OG SER A 82 21.217 -3.074 10.678 1.00 20.22 O ATOM 1259 HA SER A 82 21.324 -2.732 13.288 1.00 0.00 H ATOM 1260 HB2 SER A 82 19.410 -2.971 11.642 1.00 0.00 H ATOM 1261 HB3 SER A 82 20.005 -4.611 11.289 1.00 0.00 H ATOM 1262 HG SER A 82 20.795 -3.034 9.783 1.00 0.00 H ATOM 1263 H SER A 82 21.806 -5.630 12.708 1.00 0.00 H ATOM 1264 N THR A 83 19.287 -3.026 14.678 1.00 18.92 N ATOM 1265 CA THR A 83 18.145 -3.196 15.568 1.00 19.72 C ATOM 1266 C THR A 83 17.181 -2.073 15.245 1.00 19.98 C ATOM 1267 O THR A 83 17.567 -0.901 15.189 1.00 19.25 O ATOM 1268 CB THR A 83 18.578 -3.161 17.042 1.00 20.09 C ATOM 1269 OG1 THR A 83 19.503 -4.225 17.285 1.00 20.29 O ATOM 1270 CG2 THR A 83 17.404 -3.541 17.960 1.00 20.71 C ATOM 1271 HA THR A 83 17.672 -4.167 15.419 1.00 0.00 H ATOM 1272 HB THR A 83 18.971 -2.162 17.232 1.00 0.00 H ATOM 1273 HG1 THR A 83 19.784 -4.206 18.234 1.00 0.00 H ATOM 1274 HG23 THR A 83 16.615 -2.795 17.867 1.00 0.00 H ATOM 1275 HG21 THR A 83 17.018 -4.518 17.669 1.00 0.00 H ATOM 1276 HG22 THR A 83 17.750 -3.579 18.993 1.00 0.00 H ATOM 1277 H THR A 83 19.719 -2.085 14.580 1.00 0.00 H ATOM 1278 N ILE A 84 15.933 -2.445 14.978 1.00 20.11 N ATOM 1279 CA ILE A 84 14.910 -1.478 14.617 1.00 19.83 C ATOM 1280 C ILE A 84 13.767 -1.600 15.621 1.00 20.47 C ATOM 1281 O ILE A 84 13.283 -2.709 15.896 1.00 19.57 O ATOM 1282 CB ILE A 84 14.422 -1.714 13.169 1.00 20.32 C ATOM 1283 CG1 ILE A 84 15.616 -1.757 12.198 1.00 18.45 C ATOM 1284 CG2 ILE A 84 13.391 -0.652 12.758 1.00 20.34 C ATOM 1285 CD1 ILE A 84 15.239 -1.835 10.769 1.00 18.12 C ATOM 1286 HA ILE A 84 15.316 -0.467 14.651 1.00 0.00 H ATOM 1287 HB ILE A 84 13.924 -2.682 13.124 1.00 0.00 H ATOM 1288 HG12 ILE A 84 16.209 -0.854 12.346 1.00 0.00 H ATOM 1289 HG13 ILE A 84 16.221 -2.631 12.440 1.00 0.00 H ATOM 1290 HD11 ILE A 84 14.656 -2.740 10.597 1.00 0.00 H ATOM 1291 HD12 ILE A 84 14.644 -0.961 10.503 1.00 0.00 H ATOM 1292 HD13 ILE A 84 16.141 -1.861 10.158 1.00 0.00 H ATOM 1293 HG21 ILE A 84 12.534 -0.701 13.430 1.00 0.00 H ATOM 1294 HG22 ILE A 84 13.846 0.337 12.818 1.00 0.00 H ATOM 1295 HG23 ILE A 84 13.064 -0.841 11.735 1.00 0.00 H ATOM 1296 H ILE A 84 15.683 -3.453 15.029 1.00 0.00 H ATOM 1297 N THR A 85 13.373 -0.462 16.185 1.00 20.84 N ATOM 1298 CA THR A 85 12.244 -0.404 17.103 1.00 22.63 C ATOM 1299 C THR A 85 11.249 0.668 16.666 1.00 23.40 C ATOM 1300 O THR A 85 11.551 1.470 15.780 1.00 23.02 O ATOM 1301 CB THR A 85 12.726 -0.136 18.540 1.00 22.51 C ATOM 1302 OG1 THR A 85 13.576 1.023 18.556 1.00 23.44 O ATOM 1303 CG2 THR A 85 13.639 -1.266 19.037 1.00 22.06 C ATOM 1304 HA THR A 85 11.740 -1.370 17.083 1.00 0.00 H ATOM 1305 HB THR A 85 11.831 -0.030 19.154 1.00 0.00 H ATOM 1306 HG1 THR A 85 13.884 1.192 19.482 1.00 0.00 H ATOM 1307 HG23 THR A 85 13.078 -2.200 19.061 1.00 0.00 H ATOM 1308 HG21 THR A 85 14.489 -1.368 18.362 1.00 0.00 H ATOM 1309 HG22 THR A 85 13.995 -1.029 20.039 1.00 0.00 H ATOM 1310 H THR A 85 13.887 0.414 15.963 1.00 0.00 H ATOM 1311 N LEU A 86 10.076 0.686 17.301 1.00 24.86 N ATOM 1312 CA LEU A 86 9.058 1.704 17.037 1.00 26.29 C ATOM 1313 C LEU A 86 8.820 2.545 18.288 1.00 27.44 C ATOM 1314 O LEU A 86 8.425 2.029 19.345 1.00 28.28 O ATOM 1315 CB LEU A 86 7.760 1.046 16.547 1.00 26.24 C ATOM 1316 CG LEU A 86 6.573 1.902 16.086 1.00 26.05 C ATOM 1317 CD1 LEU A 86 6.843 2.469 14.714 1.00 26.01 C ATOM 1318 CD2 LEU A 86 5.291 1.056 16.072 1.00 26.85 C ATOM 1319 HA LEU A 86 9.412 2.368 16.248 1.00 0.00 H ATOM 1320 HB2 LEU A 86 8.032 0.411 15.704 1.00 0.00 H ATOM 1321 HB3 LEU A 86 7.397 0.425 17.366 1.00 0.00 H ATOM 1322 HG LEU A 86 6.440 2.729 16.783 1.00 0.00 H ATOM 1323 HD21 LEU A 86 5.418 0.218 15.387 1.00 0.00 H ATOM 1324 HD22 LEU A 86 5.095 0.680 17.076 1.00 0.00 H ATOM 1325 HD23 LEU A 86 4.454 1.672 15.743 1.00 0.00 H ATOM 1326 HD11 LEU A 86 7.739 3.089 14.748 1.00 0.00 H ATOM 1327 HD12 LEU A 86 6.991 1.652 14.007 1.00 0.00 H ATOM 1328 HD13 LEU A 86 5.993 3.074 14.399 1.00 0.00 H ATOM 1329 H LEU A 86 9.878 -0.050 18.009 1.00 0.00 H ATOM 1330 N ASP A 87 9.054 3.846 18.152 1.00 28.15 N ATOM 1331 CA ASP A 87 9.240 4.747 19.276 1.00 29.02 C ATOM 1332 C ASP A 87 8.467 6.028 18.952 1.00 28.84 C ATOM 1333 O ASP A 87 8.934 6.853 18.177 1.00 28.31 O ATOM 1334 CB ASP A 87 10.747 5.028 19.432 1.00 30.13 C ATOM 1335 CG ASP A 87 11.091 5.870 20.664 1.00 32.58 C ATOM 1336 OD1 ASP A 87 12.304 6.093 20.913 1.00 35.38 O ATOM 1337 OD2 ASP A 87 10.237 6.350 21.440 1.00 35.06 O ATOM 1338 HA ASP A 87 8.875 4.325 20.212 1.00 0.00 H ATOM 1339 HB2 ASP A 87 11.269 4.074 19.510 1.00 0.00 H ATOM 1340 HB3 ASP A 87 11.092 5.559 18.545 1.00 0.00 H ATOM 1341 H ASP A 87 9.107 4.240 17.191 1.00 0.00 H ATOM 1342 N GLY A 88 7.264 6.149 19.520 1.00 28.75 N ATOM 1343 CA GLY A 88 6.378 7.285 19.278 1.00 28.65 C ATOM 1344 C GLY A 88 5.994 7.407 17.814 1.00 28.48 C ATOM 1345 O GLY A 88 5.891 8.519 17.284 1.00 28.42 O ATOM 1346 HA3 GLY A 88 6.886 8.199 19.586 1.00 0.00 H ATOM 1347 HA2 GLY A 88 5.472 7.157 19.870 1.00 0.00 H ATOM 1348 H GLY A 88 6.943 5.399 20.165 1.00 0.00 H ATOM 1349 N GLY A 89 5.803 6.261 17.156 1.00 27.76 N ATOM 1350 CA GLY A 89 5.482 6.233 15.729 1.00 27.08 C ATOM 1351 C GLY A 89 6.679 6.449 14.815 1.00 26.54 C ATOM 1352 O GLY A 89 6.523 6.532 13.590 1.00 26.82 O ATOM 1353 HA3 GLY A 89 4.752 7.017 15.527 1.00 0.00 H ATOM 1354 HA2 GLY A 89 5.045 5.262 15.496 1.00 0.00 H ATOM 1355 H GLY A 89 5.885 5.362 17.673 1.00 0.00 H ATOM 1356 N VAL A 90 7.871 6.541 15.403 1.00 25.18 N ATOM 1357 CA VAL A 90 9.100 6.667 14.633 1.00 23.84 C ATOM 1358 C VAL A 90 9.826 5.324 14.635 1.00 23.42 C ATOM 1359 O VAL A 90 10.022 4.711 15.690 1.00 22.47 O ATOM 1360 CB VAL A 90 10.017 7.786 15.172 1.00 23.97 C ATOM 1361 CG1 VAL A 90 11.325 7.889 14.357 1.00 23.88 C ATOM 1362 CG2 VAL A 90 9.286 9.146 15.190 1.00 23.85 C ATOM 1363 HA VAL A 90 8.839 6.947 13.613 1.00 0.00 H ATOM 1364 HB VAL A 90 10.278 7.522 16.197 1.00 0.00 H ATOM 1365 HG11 VAL A 90 11.864 6.943 14.416 1.00 0.00 H ATOM 1366 HG12 VAL A 90 11.087 8.109 13.316 1.00 0.00 H ATOM 1367 HG13 VAL A 90 11.944 8.687 14.766 1.00 0.00 H ATOM 1368 HG21 VAL A 90 8.978 9.405 14.177 1.00 0.00 H ATOM 1369 HG22 VAL A 90 8.407 9.076 15.831 1.00 0.00 H ATOM 1370 HG23 VAL A 90 9.958 9.913 15.575 1.00 0.00 H ATOM 1371 H VAL A 90 7.925 6.522 16.441 1.00 0.00 H ATOM 1372 N LEU A 91 10.199 4.875 13.440 1.00 22.36 N ATOM 1373 CA LEU A 91 10.998 3.674 13.273 1.00 22.26 C ATOM 1374 C LEU A 91 12.459 4.038 13.496 1.00 22.09 C ATOM 1375 O LEU A 91 13.030 4.839 12.748 1.00 22.28 O ATOM 1376 CB LEU A 91 10.797 3.098 11.872 1.00 22.34 C ATOM 1377 CG LEU A 91 9.640 2.127 11.656 1.00 23.59 C ATOM 1378 CD1 LEU A 91 9.426 1.904 10.160 1.00 24.29 C ATOM 1379 CD2 LEU A 91 9.879 0.780 12.363 1.00 23.38 C ATOM 1380 HA LEU A 91 10.692 2.916 13.994 1.00 0.00 H ATOM 1381 HB2 LEU A 91 10.646 3.938 11.194 1.00 0.00 H ATOM 1382 HB3 LEU A 91 11.714 2.575 11.602 1.00 0.00 H ATOM 1383 HG LEU A 91 8.746 2.571 12.094 1.00 0.00 H ATOM 1384 HD21 LEU A 91 10.787 0.322 11.971 1.00 0.00 H ATOM 1385 HD22 LEU A 91 9.988 0.948 13.434 1.00 0.00 H ATOM 1386 HD23 LEU A 91 9.030 0.120 12.182 1.00 0.00 H ATOM 1387 HD11 LEU A 91 9.194 2.855 9.682 1.00 0.00 H ATOM 1388 HD12 LEU A 91 10.334 1.488 9.722 1.00 0.00 H ATOM 1389 HD13 LEU A 91 8.599 1.210 10.012 1.00 0.00 H ATOM 1390 H LEU A 91 9.907 5.404 12.593 1.00 0.00 H ATOM 1391 N VAL A 92 13.048 3.481 14.549 1.00 21.60 N ATOM 1392 CA VAL A 92 14.401 3.861 14.935 1.00 21.30 C ATOM 1393 C VAL A 92 15.305 2.681 14.619 1.00 21.29 C ATOM 1394 O VAL A 92 15.205 1.614 15.245 1.00 21.11 O ATOM 1395 CB VAL A 92 14.493 4.289 16.432 1.00 21.17 C ATOM 1396 CG1 VAL A 92 15.966 4.599 16.827 1.00 22.30 C ATOM 1397 CG2 VAL A 92 13.571 5.505 16.726 1.00 20.79 C ATOM 1398 HA VAL A 92 14.717 4.740 14.374 1.00 0.00 H ATOM 1399 HB VAL A 92 14.146 3.455 17.042 1.00 0.00 H ATOM 1400 HG11 VAL A 92 16.576 3.708 16.677 1.00 0.00 H ATOM 1401 HG12 VAL A 92 16.345 5.410 16.205 1.00 0.00 H ATOM 1402 HG13 VAL A 92 16.005 4.895 17.875 1.00 0.00 H ATOM 1403 HG21 VAL A 92 13.873 6.347 16.104 1.00 0.00 H ATOM 1404 HG22 VAL A 92 12.538 5.238 16.503 1.00 0.00 H ATOM 1405 HG23 VAL A 92 13.658 5.779 17.777 1.00 0.00 H ATOM 1406 H VAL A 92 12.537 2.765 15.104 1.00 0.00 H ATOM 1407 N HIS A 93 16.176 2.895 13.640 1.00 20.70 N ATOM 1408 CA HIS A 93 17.085 1.876 13.129 1.00 20.73 C ATOM 1409 C HIS A 93 18.526 2.261 13.471 1.00 21.01 C ATOM 1410 O HIS A 93 19.003 3.328 13.072 1.00 21.78 O ATOM 1411 CB HIS A 93 16.865 1.731 11.614 1.00 19.78 C ATOM 1412 CG HIS A 93 17.755 0.732 10.939 1.00 18.70 C ATOM 1413 ND1 HIS A 93 17.814 0.617 9.568 1.00 16.37 N ATOM 1414 CD2 HIS A 93 18.636 -0.173 11.430 1.00 16.10 C ATOM 1415 CE1 HIS A 93 18.677 -0.328 9.243 1.00 17.85 C ATOM 1416 NE2 HIS A 93 19.200 -0.816 10.356 1.00 16.13 N ATOM 1417 HA HIS A 93 16.887 0.910 13.593 1.00 0.00 H ATOM 1418 HB2 HIS A 93 15.831 1.429 11.449 1.00 0.00 H ATOM 1419 HB3 HIS A 93 17.036 2.703 11.152 1.00 0.00 H ATOM 1420 HD2 HIS A 93 18.856 -0.356 12.482 1.00 0.00 H ATOM 1421 HE1 HIS A 93 18.918 -0.651 8.230 1.00 0.00 H ATOM 1422 H HIS A 93 16.212 3.843 13.214 1.00 0.00 H ATOM 1423 N VAL A 94 19.192 1.398 14.236 1.00 20.90 N ATOM 1424 CA VAL A 94 20.612 1.554 14.560 1.00 20.87 C ATOM 1425 C VAL A 94 21.409 0.409 13.934 1.00 20.63 C ATOM 1426 O VAL A 94 21.033 -0.764 14.059 1.00 19.57 O ATOM 1427 CB VAL A 94 20.869 1.671 16.094 1.00 20.74 C ATOM 1428 CG1 VAL A 94 22.354 1.895 16.407 1.00 19.50 C ATOM 1429 CG2 VAL A 94 20.130 2.865 16.618 1.00 22.27 C ATOM 1430 HA VAL A 94 20.954 2.497 14.134 1.00 0.00 H ATOM 1431 HB VAL A 94 20.536 0.741 16.555 1.00 0.00 H ATOM 1432 HG11 VAL A 94 22.935 1.056 16.025 1.00 0.00 H ATOM 1433 HG12 VAL A 94 22.689 2.817 15.932 1.00 0.00 H ATOM 1434 HG13 VAL A 94 22.489 1.971 17.486 1.00 0.00 H ATOM 1435 HG21 VAL A 94 20.488 3.762 16.113 1.00 0.00 H ATOM 1436 HG22 VAL A 94 19.063 2.742 16.430 1.00 0.00 H ATOM 1437 HG23 VAL A 94 20.303 2.956 17.690 1.00 0.00 H ATOM 1438 H VAL A 94 18.682 0.577 14.620 1.00 0.00 H ATOM 1439 N GLN A 95 22.473 0.790 13.229 1.00 20.10 N ATOM 1440 CA GLN A 95 23.451 -0.118 12.655 1.00 20.36 C ATOM 1441 C GLN A 95 24.755 0.029 13.424 1.00 20.95 C ATOM 1442 O GLN A 95 25.246 1.146 13.623 1.00 20.31 O ATOM 1443 CB GLN A 95 23.700 0.208 11.184 1.00 20.49 C ATOM 1444 CG GLN A 95 22.447 0.198 10.288 1.00 20.91 C ATOM 1445 CD GLN A 95 22.770 0.591 8.864 1.00 19.62 C ATOM 1446 OE1 GLN A 95 23.649 1.414 8.636 1.00 19.17 O ATOM 1447 NE2 GLN A 95 22.075 -0.001 7.908 1.00 16.97 N ATOM 1448 HA GLN A 95 23.072 -1.138 12.723 1.00 0.00 H ATOM 1449 HB2 GLN A 95 24.146 1.201 11.129 1.00 0.00 H ATOM 1450 HB3 GLN A 95 24.402 -0.526 10.790 1.00 0.00 H ATOM 1451 HG2 GLN A 95 22.020 -0.805 10.289 1.00 0.00 H ATOM 1452 HG3 GLN A 95 21.719 0.902 10.692 1.00 0.00 H ATOM 1453 HE22 GLN A 95 21.339 -0.693 8.153 1.00 0.00 H ATOM 1454 HE21 GLN A 95 22.265 0.226 6.911 1.00 0.00 H ATOM 1455 H GLN A 95 22.614 1.809 13.079 1.00 0.00 H ATOM 1456 N LYS A 96 25.305 -1.105 13.855 1.00 21.58 N ATOM 1457 CA LYS A 96 26.508 -1.142 14.697 1.00 22.80 C ATOM 1458 C LYS A 96 27.553 -2.006 14.013 1.00 22.38 C ATOM 1459 O LYS A 96 27.247 -3.107 13.556 1.00 21.83 O ATOM 1460 CB LYS A 96 26.179 -1.700 16.096 1.00 22.57 C ATOM 1461 CG LYS A 96 25.359 -0.742 16.950 1.00 23.47 C ATOM 1462 CD LYS A 96 25.061 -1.291 18.329 1.00 25.18 C ATOM 1463 CE LYS A 96 24.084 -0.364 19.054 1.00 29.37 C ATOM 1464 NZ LYS A 96 23.627 -0.908 20.362 1.00 33.41 N ATOM 1465 HA LYS A 96 26.893 -0.130 14.827 1.00 0.00 H ATOM 1466 HB2 LYS A 96 25.616 -2.625 15.976 1.00 0.00 H ATOM 1467 HB3 LYS A 96 27.115 -1.911 16.614 1.00 0.00 H ATOM 1468 HG2 LYS A 96 25.914 0.190 17.059 1.00 0.00 H ATOM 1469 HG3 LYS A 96 24.415 -0.544 16.442 1.00 0.00 H ATOM 1470 HD2 LYS A 96 24.619 -2.283 18.236 1.00 0.00 H ATOM 1471 HD3 LYS A 96 25.987 -1.359 18.900 1.00 0.00 H ATOM 1472 HE2 LYS A 96 23.212 -0.211 18.417 1.00 0.00 H ATOM 1473 HE3 LYS A 96 24.577 0.592 19.228 1.00 0.00 H ATOM 1474 HZ1 LYS A 96 23.146 -1.817 20.209 1.00 0.00 H ATOM 1475 HZ2 LYS A 96 24.449 -1.050 20.983 1.00 0.00 H ATOM 1476 HZ3 LYS A 96 22.968 -0.236 20.804 1.00 0.00 H ATOM 1477 H LYS A 96 24.862 -2.006 13.583 1.00 0.00 H ATOM 1478 N TRP A 97 28.778 -1.492 13.912 1.00 22.23 N ATOM 1479 CA TRP A 97 29.857 -2.224 13.237 1.00 22.26 C ATOM 1480 C TRP A 97 31.176 -1.563 13.589 1.00 23.32 C ATOM 1481 O TRP A 97 31.268 -0.323 13.630 1.00 22.77 O ATOM 1482 CB TRP A 97 29.653 -2.276 11.700 1.00 21.06 C ATOM 1483 CG TRP A 97 30.093 -1.009 10.947 1.00 20.63 C ATOM 1484 CD1 TRP A 97 31.211 -0.867 10.167 1.00 19.14 C ATOM 1485 CD2 TRP A 97 29.440 0.270 10.943 1.00 18.55 C ATOM 1486 NE1 TRP A 97 31.282 0.411 9.668 1.00 19.00 N ATOM 1487 CE2 TRP A 97 30.209 1.131 10.128 1.00 19.30 C ATOM 1488 CE3 TRP A 97 28.269 0.771 11.532 1.00 17.70 C ATOM 1489 CZ2 TRP A 97 29.860 2.472 9.900 1.00 18.58 C ATOM 1490 CZ3 TRP A 97 27.920 2.090 11.312 1.00 19.37 C ATOM 1491 CH2 TRP A 97 28.715 2.931 10.493 1.00 20.19 C ATOM 1492 HA TRP A 97 29.853 -3.259 13.580 1.00 0.00 H ATOM 1493 HB2 TRP A 97 30.225 -3.118 11.310 1.00 0.00 H ATOM 1494 HB3 TRP A 97 28.593 -2.436 11.504 1.00 0.00 H ATOM 1495 HE1 TRP A 97 32.029 0.774 9.042 1.00 0.00 H ATOM 1496 HD1 TRP A 97 31.939 -1.654 9.971 1.00 0.00 H ATOM 1497 HZ2 TRP A 97 30.476 3.121 9.277 1.00 0.00 H ATOM 1498 HH2 TRP A 97 28.408 3.964 10.332 1.00 0.00 H ATOM 1499 HZ3 TRP A 97 27.019 2.490 11.776 1.00 0.00 H ATOM 1500 HE3 TRP A 97 27.644 0.130 12.154 1.00 0.00 H ATOM 1501 H TRP A 97 28.974 -0.555 14.319 1.00 0.00 H ATOM 1502 N ASP A 98 32.180 -2.395 13.867 1.00 24.03 N ATOM 1503 CA ASP A 98 33.522 -1.921 14.208 1.00 24.89 C ATOM 1504 C ASP A 98 33.516 -0.860 15.294 1.00 25.10 C ATOM 1505 O ASP A 98 34.227 0.134 15.188 1.00 25.75 O ATOM 1506 CB ASP A 98 34.225 -1.392 12.952 1.00 25.21 C ATOM 1507 CG ASP A 98 34.557 -2.489 11.970 1.00 26.41 C ATOM 1508 OD1 ASP A 98 34.582 -3.672 12.392 1.00 27.56 O ATOM 1509 OD2 ASP A 98 34.807 -2.268 10.763 1.00 26.99 O ATOM 1510 HA ASP A 98 34.070 -2.774 14.607 1.00 0.00 H ATOM 1511 HB2 ASP A 98 33.571 -0.671 12.463 1.00 0.00 H ATOM 1512 HB3 ASP A 98 35.150 -0.898 13.250 1.00 0.00 H ATOM 1513 H ASP A 98 32.003 -3.419 13.841 1.00 0.00 H ATOM 1514 N GLY A 99 32.714 -1.069 16.336 1.00 25.21 N ATOM 1515 CA GLY A 99 32.648 -0.135 17.460 1.00 25.40 C ATOM 1516 C GLY A 99 32.036 1.210 17.097 1.00 25.49 C ATOM 1517 O GLY A 99 32.066 2.143 17.903 1.00 26.25 O ATOM 1518 HA3 GLY A 99 33.660 0.034 17.828 1.00 0.00 H ATOM 1519 HA2 GLY A 99 32.046 -0.586 18.249 1.00 0.00 H ATOM 1520 H GLY A 99 32.117 -1.921 16.351 1.00 0.00 H ATOM 1521 N LYS A 100 31.501 1.314 15.879 1.00 24.84 N ATOM 1522 CA LYS A 100 30.814 2.530 15.415 1.00 24.26 C ATOM 1523 C LYS A 100 29.319 2.284 15.311 1.00 23.70 C ATOM 1524 O LYS A 100 28.864 1.140 15.354 1.00 23.81 O ATOM 1525 CB LYS A 100 31.325 2.945 14.044 1.00 24.14 C ATOM 1526 CG LYS A 100 32.798 3.309 13.987 1.00 25.91 C ATOM 1527 CD LYS A 100 33.212 3.663 12.563 1.00 27.68 C ATOM 1528 CE LYS A 100 33.529 2.435 11.723 1.00 29.42 C ATOM 1529 NZ LYS A 100 34.305 2.815 10.492 1.00 31.34 N ATOM 1530 HA LYS A 100 31.015 3.320 16.138 1.00 0.00 H ATOM 1531 HB2 LYS A 100 31.155 2.117 13.355 1.00 0.00 H ATOM 1532 HB3 LYS A 100 30.750 3.812 13.717 1.00 0.00 H ATOM 1533 HG2 LYS A 100 32.980 4.165 14.636 1.00 0.00 H ATOM 1534 HG3 LYS A 100 33.390 2.461 14.331 1.00 0.00 H ATOM 1535 HD2 LYS A 100 32.398 4.210 12.088 1.00 0.00 H ATOM 1536 HD3 LYS A 100 34.098 4.296 12.604 1.00 0.00 H ATOM 1537 HE2 LYS A 100 32.597 1.956 11.424 1.00 0.00 H ATOM 1538 HE3 LYS A 100 34.120 1.738 12.317 1.00 0.00 H ATOM 1539 HZ1 LYS A 100 33.743 3.477 9.920 1.00 0.00 H ATOM 1540 HZ2 LYS A 100 35.198 3.269 10.773 1.00 0.00 H ATOM 1541 HZ3 LYS A 100 34.509 1.961 9.935 1.00 0.00 H ATOM 1542 H LYS A 100 31.572 0.503 15.232 1.00 0.00 H ATOM 1543 N SER A 101 28.549 3.356 15.177 1.00 23.14 N ATOM 1544 CA SER A 101 27.130 3.203 14.921 1.00 22.39 C ATOM 1545 C SER A 101 26.569 4.360 14.115 1.00 22.01 C ATOM 1546 O SER A 101 27.078 5.492 14.137 1.00 22.18 O ATOM 1547 CB SER A 101 26.339 3.031 16.226 1.00 22.83 C ATOM 1548 OG SER A 101 26.285 4.239 16.951 1.00 23.83 O ATOM 1549 HA SER A 101 27.017 2.296 14.327 1.00 0.00 H ATOM 1550 HB2 SER A 101 26.823 2.270 16.838 1.00 0.00 H ATOM 1551 HB3 SER A 101 25.324 2.713 15.988 1.00 0.00 H ATOM 1552 HG SER A 101 25.842 4.933 16.401 1.00 0.00 H ATOM 1553 H SER A 101 28.963 4.307 15.256 1.00 0.00 H ATOM 1554 N THR A 102 25.508 4.060 13.394 1.00 20.55 N ATOM 1555 CA THR A 102 24.749 5.091 12.752 1.00 20.03 C ATOM 1556 C THR A 102 23.276 4.848 13.036 1.00 19.73 C ATOM 1557 O THR A 102 22.849 3.710 13.253 1.00 19.12 O ATOM 1558 CB THR A 102 25.095 5.134 11.243 1.00 19.80 C ATOM 1559 OG1 THR A 102 24.390 6.209 10.615 1.00 20.03 O ATOM 1560 CG2 THR A 102 24.630 3.871 10.528 1.00 18.78 C ATOM 1561 HA THR A 102 24.999 6.077 13.144 1.00 0.00 H ATOM 1562 HB THR A 102 26.177 5.245 11.173 1.00 0.00 H ATOM 1563 HG1 THR A 102 24.653 7.065 11.036 1.00 0.00 H ATOM 1564 HG23 THR A 102 25.132 3.005 10.960 1.00 0.00 H ATOM 1565 HG21 THR A 102 23.552 3.764 10.646 1.00 0.00 H ATOM 1566 HG22 THR A 102 24.875 3.944 9.468 1.00 0.00 H ATOM 1567 H THR A 102 25.219 3.066 13.290 1.00 0.00 H ATOM 1568 N THR A 103 22.517 5.932 13.071 1.00 20.22 N ATOM 1569 CA THR A 103 21.109 5.863 13.398 1.00 20.37 C ATOM 1570 C THR A 103 20.267 6.420 12.250 1.00 20.28 C ATOM 1571 O THR A 103 20.559 7.492 11.710 1.00 20.50 O ATOM 1572 CB THR A 103 20.842 6.588 14.719 1.00 20.74 C ATOM 1573 OG1 THR A 103 21.472 5.846 15.777 1.00 22.32 O ATOM 1574 CG2 THR A 103 19.377 6.510 15.089 1.00 20.57 C ATOM 1575 HA THR A 103 20.818 4.821 13.532 1.00 0.00 H ATOM 1576 HB THR A 103 21.192 7.614 14.604 1.00 0.00 H ATOM 1577 HG1 THR A 103 22.446 5.795 15.608 1.00 0.00 H ATOM 1578 HG23 THR A 103 18.787 7.047 14.346 1.00 0.00 H ATOM 1579 HG21 THR A 103 19.066 5.466 15.117 1.00 0.00 H ATOM 1580 HG22 THR A 103 19.227 6.961 16.070 1.00 0.00 H ATOM 1581 H THR A 103 22.943 6.856 12.858 1.00 0.00 H ATOM 1582 N ILE A 104 19.227 5.671 11.886 1.00 20.43 N ATOM 1583 CA ILE A 104 18.353 6.019 10.767 1.00 20.39 C ATOM 1584 C ILE A 104 16.914 6.012 11.253 1.00 20.99 C ATOM 1585 O ILE A 104 16.380 4.958 11.616 1.00 21.08 O ATOM 1586 CB ILE A 104 18.533 5.014 9.621 1.00 20.44 C ATOM 1587 CG1 ILE A 104 19.985 5.018 9.132 1.00 20.78 C ATOM 1588 CG2 ILE A 104 17.554 5.319 8.474 1.00 19.55 C ATOM 1589 CD1 ILE A 104 20.420 3.762 8.463 1.00 22.61 C ATOM 1590 HA ILE A 104 18.610 7.010 10.393 1.00 0.00 H ATOM 1591 HB ILE A 104 18.306 4.015 9.992 1.00 0.00 H ATOM 1592 HG12 ILE A 104 20.103 5.838 8.424 1.00 0.00 H ATOM 1593 HG13 ILE A 104 20.633 5.187 9.992 1.00 0.00 H ATOM 1594 HD11 ILE A 104 20.324 2.929 9.159 1.00 0.00 H ATOM 1595 HD12 ILE A 104 19.793 3.581 7.590 1.00 0.00 H ATOM 1596 HD13 ILE A 104 21.460 3.859 8.152 1.00 0.00 H ATOM 1597 HG21 ILE A 104 16.531 5.254 8.844 1.00 0.00 H ATOM 1598 HG22 ILE A 104 17.741 6.324 8.096 1.00 0.00 H ATOM 1599 HG23 ILE A 104 17.699 4.595 7.672 1.00 0.00 H ATOM 1600 H ILE A 104 19.028 4.801 12.421 1.00 0.00 H ATOM 1601 N LYS A 105 16.309 7.198 11.290 1.00 21.56 N ATOM 1602 CA LYS A 105 14.927 7.369 11.754 1.00 21.77 C ATOM 1603 C LYS A 105 14.038 7.593 10.558 1.00 22.07 C ATOM 1604 O LYS A 105 14.308 8.465 9.742 1.00 22.29 O ATOM 1605 CB LYS A 105 14.805 8.554 12.716 1.00 21.30 C ATOM 1606 CG LYS A 105 15.370 8.273 14.092 1.00 22.70 C ATOM 1607 CD LYS A 105 15.417 9.532 14.952 1.00 25.76 C ATOM 1608 CE LYS A 105 16.381 9.317 16.105 1.00 26.72 C ATOM 1609 NZ LYS A 105 15.923 10.050 17.322 1.00 30.04 N ATOM 1610 HA LYS A 105 14.624 6.470 12.291 1.00 0.00 H ATOM 1611 HB2 LYS A 105 15.340 9.402 12.289 1.00 0.00 H ATOM 1612 HB3 LYS A 105 13.750 8.807 12.821 1.00 0.00 H ATOM 1613 HG2 LYS A 105 14.743 7.531 14.586 1.00 0.00 H ATOM 1614 HG3 LYS A 105 16.381 7.880 13.985 1.00 0.00 H ATOM 1615 HD2 LYS A 105 15.754 10.374 14.347 1.00 0.00 H ATOM 1616 HD3 LYS A 105 14.422 9.743 15.344 1.00 0.00 H ATOM 1617 HE2 LYS A 105 17.368 9.680 15.819 1.00 0.00 H ATOM 1618 HE3 LYS A 105 16.439 8.252 16.329 1.00 0.00 H ATOM 1619 HZ1 LYS A 105 15.871 11.067 17.113 1.00 0.00 H ATOM 1620 HZ2 LYS A 105 14.983 9.703 17.601 1.00 0.00 H ATOM 1621 HZ3 LYS A 105 16.597 9.888 18.097 1.00 0.00 H ATOM 1622 H LYS A 105 16.837 8.037 10.977 1.00 0.00 H ATOM 1623 N ARG A 106 12.997 6.782 10.444 1.00 22.33 N ATOM 1624 CA ARG A 106 12.013 6.955 9.403 1.00 22.95 C ATOM 1625 C ARG A 106 10.727 7.368 10.103 1.00 24.25 C ATOM 1626 O ARG A 106 10.225 6.661 11.000 1.00 22.91 O ATOM 1627 CB ARG A 106 11.842 5.651 8.609 1.00 23.37 C ATOM 1628 CG ARG A 106 13.153 5.144 7.931 1.00 21.30 C ATOM 1629 CD ARG A 106 13.138 3.667 7.506 1.00 24.48 C ATOM 1630 NE ARG A 106 14.375 3.284 6.799 1.00 25.59 N ATOM 1631 CZ ARG A 106 15.348 2.527 7.304 1.00 26.24 C ATOM 1632 NH1 ARG A 106 15.262 2.034 8.521 1.00 25.89 N ATOM 1633 NH2 ARG A 106 16.421 2.246 6.575 1.00 28.92 N ATOM 1634 HA ARG A 106 12.312 7.714 8.680 1.00 0.00 H ATOM 1635 HB2 ARG A 106 11.487 4.878 9.291 1.00 0.00 H ATOM 1636 HB3 ARG A 106 11.096 5.818 7.832 1.00 0.00 H ATOM 1637 HG2 ARG A 106 13.330 5.750 7.042 1.00 0.00 H ATOM 1638 HG3 ARG A 106 13.974 5.285 8.634 1.00 0.00 H ATOM 1639 HD2 ARG A 106 12.288 3.499 6.845 1.00 0.00 H ATOM 1640 HD3 ARG A 106 13.033 3.045 8.395 1.00 0.00 H ATOM 1641 HE ARG A 106 14.497 3.633 5.827 1.00 0.00 H ATOM 1642 HH12 ARG A 106 16.031 1.445 8.899 1.00 0.00 H ATOM 1643 HH11 ARG A 106 14.425 2.233 9.105 1.00 0.00 H ATOM 1644 HH22 ARG A 106 17.179 1.655 6.972 1.00 0.00 H ATOM 1645 HH21 ARG A 106 16.504 2.617 5.607 1.00 0.00 H ATOM 1646 H ARG A 106 12.886 6.001 11.122 1.00 0.00 H ATOM 1647 N LYS A 107 10.217 8.536 9.727 1.00 25.39 N ATOM 1648 CA LYS A 107 8.985 9.041 10.334 1.00 27.38 C ATOM 1649 C LYS A 107 7.971 9.469 9.273 1.00 27.81 C ATOM 1650 O LYS A 107 8.336 9.826 8.149 1.00 27.27 O ATOM 1651 CB LYS A 107 9.287 10.187 11.312 1.00 26.50 C ATOM 1652 CG LYS A 107 9.768 11.472 10.653 1.00 29.07 C ATOM 1653 CD LYS A 107 10.024 12.584 11.659 1.00 30.20 C ATOM 1654 CE LYS A 107 11.488 12.646 12.081 1.00 35.19 C ATOM 1655 NZ LYS A 107 11.788 13.947 12.787 1.00 37.34 N ATOM 1656 HA LYS A 107 8.535 8.225 10.900 1.00 0.00 H ATOM 1657 HB2 LYS A 107 8.376 10.410 11.867 1.00 0.00 H ATOM 1658 HB3 LYS A 107 10.059 9.850 12.004 1.00 0.00 H ATOM 1659 HG2 LYS A 107 10.695 11.265 10.118 1.00 0.00 H ATOM 1660 HG3 LYS A 107 9.009 11.808 9.946 1.00 0.00 H ATOM 1661 HD2 LYS A 107 9.746 13.537 11.209 1.00 0.00 H ATOM 1662 HD3 LYS A 107 9.410 12.408 12.542 1.00 0.00 H ATOM 1663 HE2 LYS A 107 12.119 12.566 11.196 1.00 0.00 H ATOM 1664 HE3 LYS A 107 11.702 11.816 12.755 1.00 0.00 H ATOM 1665 HZ1 LYS A 107 11.589 14.742 12.146 1.00 0.00 H ATOM 1666 HZ2 LYS A 107 11.191 14.026 13.635 1.00 0.00 H ATOM 1667 HZ3 LYS A 107 12.790 13.966 13.065 1.00 0.00 H ATOM 1668 H LYS A 107 10.698 9.096 8.995 1.00 0.00 H ATOM 1669 N ARG A 108 6.697 9.402 9.636 1.00 28.90 N ATOM 1670 CA ARG A 108 5.638 9.981 8.823 1.00 30.50 C ATOM 1671 C ARG A 108 5.424 11.431 9.249 1.00 31.33 C ATOM 1672 O ARG A 108 5.352 11.724 10.448 1.00 31.67 O ATOM 1673 CB ARG A 108 4.356 9.161 8.964 1.00 30.19 C ATOM 1674 CG ARG A 108 4.441 7.751 8.369 1.00 32.37 C ATOM 1675 CD ARG A 108 4.704 7.696 6.839 1.00 35.09 C ATOM 1676 NE ARG A 108 4.270 8.922 6.170 1.00 37.04 N ATOM 1677 CZ ARG A 108 3.008 9.255 5.935 1.00 36.33 C ATOM 1678 NH1 ARG A 108 2.013 8.452 6.285 1.00 36.85 N ATOM 1679 NH2 ARG A 108 2.744 10.404 5.346 1.00 36.63 N ATOM 1680 HA ARG A 108 5.922 9.963 7.771 1.00 0.00 H ATOM 1681 HB2 ARG A 108 4.123 9.071 10.025 1.00 0.00 H ATOM 1682 HB3 ARG A 108 3.551 9.696 8.461 1.00 0.00 H ATOM 1683 HG2 ARG A 108 5.251 7.221 8.870 1.00 0.00 H ATOM 1684 HG3 ARG A 108 3.498 7.243 8.568 1.00 0.00 H ATOM 1685 HD2 ARG A 108 4.159 6.851 6.417 1.00 0.00 H ATOM 1686 HD3 ARG A 108 5.772 7.560 6.669 1.00 0.00 H ATOM 1687 HE ARG A 108 5.008 9.584 5.854 1.00 0.00 H ATOM 1688 HH12 ARG A 108 1.029 8.729 6.093 1.00 0.00 H ATOM 1689 HH11 ARG A 108 2.216 7.545 6.752 1.00 0.00 H ATOM 1690 HH22 ARG A 108 1.759 10.677 5.156 1.00 0.00 H ATOM 1691 HH21 ARG A 108 3.521 11.038 5.071 1.00 0.00 H ATOM 1692 H ARG A 108 6.448 8.923 10.525 1.00 0.00 H ATOM 1693 N GLU A 109 5.369 12.328 8.265 1.00 32.22 N ATOM 1694 CA GLU A 109 5.179 13.764 8.482 1.00 33.72 C ATOM 1695 C GLU A 109 4.318 14.279 7.340 1.00 33.55 C ATOM 1696 O GLU A 109 4.749 14.272 6.193 1.00 33.33 O ATOM 1697 CB GLU A 109 6.514 14.519 8.496 1.00 33.31 C ATOM 1698 CG GLU A 109 6.367 16.036 8.640 1.00 35.14 C ATOM 1699 CD GLU A 109 7.698 16.790 8.595 1.00 36.04 C ATOM 1700 OE1 GLU A 109 8.747 16.185 8.916 1.00 39.17 O ATOM 1701 OE2 GLU A 109 7.696 17.998 8.242 1.00 38.88 O ATOM 1702 HA GLU A 109 4.707 13.927 9.451 1.00 0.00 H ATOM 1703 HB2 GLU A 109 7.108 14.151 9.332 1.00 0.00 H ATOM 1704 HB3 GLU A 109 7.036 14.312 7.562 1.00 0.00 H ATOM 1705 HG2 GLU A 109 5.737 16.400 7.828 1.00 0.00 H ATOM 1706 HG3 GLU A 109 5.884 16.246 9.594 1.00 0.00 H ATOM 1707 H GLU A 109 5.467 11.989 7.287 1.00 0.00 H ATOM 1708 N ASP A 110 3.099 14.710 7.658 1.00 33.65 N ATOM 1709 CA ASP A 110 2.124 15.044 6.631 1.00 33.71 C ATOM 1710 C ASP A 110 1.930 13.833 5.717 1.00 33.39 C ATOM 1711 O ASP A 110 1.531 12.767 6.175 1.00 33.36 O ATOM 1712 CB ASP A 110 2.571 16.276 5.839 1.00 33.66 C ATOM 1713 CG ASP A 110 2.713 17.517 6.705 1.00 34.81 C ATOM 1714 OD1 ASP A 110 2.140 17.571 7.815 1.00 35.23 O ATOM 1715 OD2 ASP A 110 3.378 18.505 6.339 1.00 36.30 O ATOM 1716 HA ASP A 110 1.171 15.291 7.098 1.00 0.00 H ATOM 1717 HB2 ASP A 110 3.535 16.062 5.377 1.00 0.00 H ATOM 1718 HB3 ASP A 110 1.834 16.477 5.062 1.00 0.00 H ATOM 1719 H ASP A 110 2.839 14.810 8.660 1.00 0.00 H ATOM 1720 N ASP A 111 2.234 13.985 4.434 1.00 33.20 N ATOM 1721 CA ASP A 111 2.078 12.878 3.490 1.00 33.15 C ATOM 1722 C ASP A 111 3.454 12.394 2.994 1.00 32.33 C ATOM 1723 O ASP A 111 3.554 11.620 2.042 1.00 32.80 O ATOM 1724 CB ASP A 111 1.145 13.278 2.341 1.00 33.64 C ATOM 1725 CG ASP A 111 1.475 14.634 1.774 1.00 34.61 C ATOM 1726 OD1 ASP A 111 2.512 15.205 2.184 1.00 35.81 O ATOM 1727 OD2 ASP A 111 0.754 15.217 0.927 1.00 36.50 O ATOM 1728 HA ASP A 111 1.610 12.036 4.000 1.00 0.00 H ATOM 1729 HB2 ASP A 111 1.231 12.537 1.547 1.00 0.00 H ATOM 1730 HB3 ASP A 111 0.120 13.294 2.712 1.00 0.00 H ATOM 1731 H ASP A 111 2.588 14.903 4.095 1.00 0.00 H ATOM 1732 N LYS A 112 4.498 12.854 3.682 1.00 31.06 N ATOM 1733 CA LYS A 112 5.878 12.501 3.392 1.00 29.58 C ATOM 1734 C LYS A 112 6.383 11.406 4.327 1.00 28.39 C ATOM 1735 O LYS A 112 5.883 11.224 5.440 1.00 27.77 O ATOM 1736 CB LYS A 112 6.803 13.710 3.563 1.00 30.03 C ATOM 1737 CG LYS A 112 6.325 15.017 2.945 1.00 32.64 C ATOM 1738 CD LYS A 112 7.090 16.204 3.561 1.00 36.24 C ATOM 1739 CE LYS A 112 6.414 17.546 3.238 1.00 38.75 C ATOM 1740 NZ LYS A 112 7.375 18.690 3.418 1.00 41.25 N ATOM 1741 HA LYS A 112 5.894 12.150 2.360 1.00 0.00 H ATOM 1742 HB2 LYS A 112 6.938 13.877 4.632 1.00 0.00 H ATOM 1743 HB3 LYS A 112 7.763 13.460 3.112 1.00 0.00 H ATOM 1744 HG2 LYS A 112 6.501 14.993 1.870 1.00 0.00 H ATOM 1745 HG3 LYS A 112 5.258 15.137 3.135 1.00 0.00 H ATOM 1746 HD2 LYS A 112 7.126 16.078 4.643 1.00 0.00 H ATOM 1747 HD3 LYS A 112 8.105 16.215 3.164 1.00 0.00 H ATOM 1748 HE2 LYS A 112 5.563 17.687 3.904 1.00 0.00 H ATOM 1749 HE3 LYS A 112 6.066 17.531 2.205 1.00 0.00 H ATOM 1750 HZ1 LYS A 112 7.706 18.711 4.404 1.00 0.00 H ATOM 1751 HZ2 LYS A 112 8.187 18.563 2.781 1.00 0.00 H ATOM 1752 HZ3 LYS A 112 6.894 19.584 3.194 1.00 0.00 H ATOM 1753 H LYS A 112 4.315 13.504 4.473 1.00 0.00 H ATOM 1754 N LEU A 113 7.372 10.661 3.846 1.00 26.62 N ATOM 1755 CA LEU A 113 8.127 9.759 4.679 1.00 24.75 C ATOM 1756 C LEU A 113 9.493 10.430 4.798 1.00 23.75 C ATOM 1757 O LEU A 113 10.180 10.669 3.785 1.00 22.58 O ATOM 1758 CB LEU A 113 8.211 8.379 4.034 1.00 25.06 C ATOM 1759 CG LEU A 113 8.856 7.231 4.818 1.00 25.63 C ATOM 1760 CD1 LEU A 113 8.322 7.134 6.225 1.00 26.32 C ATOM 1761 CD2 LEU A 113 8.574 5.928 4.117 1.00 26.60 C ATOM 1762 HA LEU A 113 7.676 9.589 5.656 1.00 0.00 H ATOM 1763 HB2 LEU A 113 7.191 8.073 3.800 1.00 0.00 H ATOM 1764 HB3 LEU A 113 8.777 8.492 3.109 1.00 0.00 H ATOM 1765 HG LEU A 113 9.926 7.432 4.867 1.00 0.00 H ATOM 1766 HD21 LEU A 113 7.497 5.772 4.062 1.00 0.00 H ATOM 1767 HD22 LEU A 113 8.990 5.961 3.110 1.00 0.00 H ATOM 1768 HD23 LEU A 113 9.032 5.111 4.674 1.00 0.00 H ATOM 1769 HD11 LEU A 113 8.526 8.064 6.755 1.00 0.00 H ATOM 1770 HD12 LEU A 113 7.246 6.961 6.193 1.00 0.00 H ATOM 1771 HD13 LEU A 113 8.809 6.306 6.741 1.00 0.00 H ATOM 1772 H LEU A 113 7.609 10.731 2.836 1.00 0.00 H ATOM 1773 N VAL A 114 9.858 10.781 6.025 1.00 21.97 N ATOM 1774 CA VAL A 114 11.079 11.537 6.249 1.00 22.17 C ATOM 1775 C VAL A 114 12.133 10.617 6.849 1.00 21.36 C ATOM 1776 O VAL A 114 11.882 9.962 7.853 1.00 21.17 O ATOM 1777 CB VAL A 114 10.843 12.765 7.154 1.00 21.71 C ATOM 1778 CG1 VAL A 114 12.160 13.484 7.474 1.00 22.98 C ATOM 1779 CG2 VAL A 114 9.836 13.728 6.500 1.00 21.58 C ATOM 1780 HA VAL A 114 11.428 11.919 5.290 1.00 0.00 H ATOM 1781 HB VAL A 114 10.424 12.414 8.097 1.00 0.00 H ATOM 1782 HG11 VAL A 114 12.832 12.797 7.989 1.00 0.00 H ATOM 1783 HG12 VAL A 114 12.624 13.820 6.547 1.00 0.00 H ATOM 1784 HG13 VAL A 114 11.957 14.344 8.113 1.00 0.00 H ATOM 1785 HG21 VAL A 114 10.227 14.064 5.540 1.00 0.00 H ATOM 1786 HG22 VAL A 114 8.888 13.212 6.347 1.00 0.00 H ATOM 1787 HG23 VAL A 114 9.682 14.588 7.152 1.00 0.00 H ATOM 1788 H VAL A 114 9.264 10.512 6.835 1.00 0.00 H ATOM 1789 N VAL A 115 13.303 10.571 6.212 1.00 20.95 N ATOM 1790 CA VAL A 115 14.399 9.749 6.700 1.00 19.45 C ATOM 1791 C VAL A 115 15.546 10.612 7.211 1.00 20.42 C ATOM 1792 O VAL A 115 16.144 11.403 6.457 1.00 19.67 O ATOM 1793 CB VAL A 115 14.891 8.761 5.617 1.00 20.01 C ATOM 1794 CG1 VAL A 115 15.957 7.807 6.179 1.00 18.17 C ATOM 1795 CG2 VAL A 115 13.727 7.970 5.056 1.00 18.28 C ATOM 1796 HA VAL A 115 14.020 9.161 7.536 1.00 0.00 H ATOM 1797 HB VAL A 115 15.344 9.342 4.814 1.00 0.00 H ATOM 1798 HG11 VAL A 115 16.809 8.386 6.536 1.00 0.00 H ATOM 1799 HG12 VAL A 115 15.533 7.236 7.005 1.00 0.00 H ATOM 1800 HG13 VAL A 115 16.283 7.125 5.394 1.00 0.00 H ATOM 1801 HG21 VAL A 115 13.250 7.409 5.859 1.00 0.00 H ATOM 1802 HG22 VAL A 115 13.005 8.655 4.611 1.00 0.00 H ATOM 1803 HG23 VAL A 115 14.091 7.280 4.295 1.00 0.00 H ATOM 1804 H VAL A 115 13.435 11.135 5.348 1.00 0.00 H ATOM 1805 N GLU A 116 15.861 10.448 8.491 1.00 20.15 N ATOM 1806 CA GLU A 116 16.974 11.155 9.084 1.00 20.54 C ATOM 1807 C GLU A 116 18.122 10.192 9.339 1.00 20.39 C ATOM 1808 O GLU A 116 17.952 9.205 10.049 1.00 19.73 O ATOM 1809 CB GLU A 116 16.543 11.809 10.388 1.00 21.03 C ATOM 1810 CG GLU A 116 17.647 12.650 11.009 1.00 23.72 C ATOM 1811 CD GLU A 116 17.397 12.917 12.478 1.00 27.10 C ATOM 1812 OE1 GLU A 116 17.487 11.957 13.289 1.00 27.61 O ATOM 1813 OE2 GLU A 116 17.105 14.085 12.812 1.00 29.83 O ATOM 1814 HA GLU A 116 17.308 11.931 8.395 1.00 0.00 H ATOM 1815 HB2 GLU A 116 15.684 12.450 10.191 1.00 0.00 H ATOM 1816 HB3 GLU A 116 16.258 11.029 11.094 1.00 0.00 H ATOM 1817 HG2 GLU A 116 18.594 12.122 10.903 1.00 0.00 H ATOM 1818 HG3 GLU A 116 17.703 13.603 10.482 1.00 0.00 H ATOM 1819 H GLU A 116 15.297 9.800 9.077 1.00 0.00 H ATOM 1820 N CYS A 117 19.287 10.468 8.747 1.00 20.52 N ATOM 1821 CA CYS A 117 20.444 9.579 8.906 1.00 21.18 C ATOM 1822 C CYS A 117 21.566 10.315 9.608 1.00 20.97 C ATOM 1823 O CYS A 117 22.025 11.351 9.131 1.00 20.75 O ATOM 1824 CB CYS A 117 20.934 9.054 7.551 1.00 21.45 C ATOM 1825 SG CYS A 117 19.633 8.548 6.392 1.00 25.46 S ATOM 1826 HA CYS A 117 20.134 8.725 9.508 1.00 0.00 H ATOM 1827 HB2 CYS A 117 21.573 8.191 7.736 1.00 0.00 H ATOM 1828 HB3 CYS A 117 21.519 9.842 7.077 1.00 0.00 H ATOM 1829 HG CYS A 117 20.211 8.100 5.222 1.00 0.00 H ATOM 1830 H CYS A 117 19.376 11.325 8.165 1.00 0.00 H ATOM 1831 N VAL A 118 22.010 9.767 10.734 1.00 20.91 N ATOM 1832 CA VAL A 118 22.977 10.446 11.590 1.00 20.49 C ATOM 1833 C VAL A 118 24.247 9.618 11.683 1.00 20.64 C ATOM 1834 O VAL A 118 24.196 8.415 11.947 1.00 20.06 O ATOM 1835 CB VAL A 118 22.379 10.741 13.005 1.00 21.03 C ATOM 1836 CG1 VAL A 118 23.455 11.230 13.986 1.00 20.59 C ATOM 1837 CG2 VAL A 118 21.239 11.783 12.906 1.00 20.66 C ATOM 1838 HA VAL A 118 23.222 11.410 11.145 1.00 0.00 H ATOM 1839 HB VAL A 118 21.975 9.804 13.390 1.00 0.00 H ATOM 1840 HG11 VAL A 118 24.224 10.465 14.091 1.00 0.00 H ATOM 1841 HG12 VAL A 118 23.903 12.147 13.604 1.00 0.00 H ATOM 1842 HG13 VAL A 118 22.999 11.424 14.957 1.00 0.00 H ATOM 1843 HG21 VAL A 118 21.631 12.710 12.487 1.00 0.00 H ATOM 1844 HG22 VAL A 118 20.450 11.396 12.261 1.00 0.00 H ATOM 1845 HG23 VAL A 118 20.836 11.975 13.901 1.00 0.00 H ATOM 1846 H VAL A 118 21.659 8.829 11.013 1.00 0.00 H ATOM 1847 N MET A 119 25.384 10.257 11.414 1.00 20.72 N ATOM 1848 CA MET A 119 26.681 9.631 11.647 1.00 21.37 C ATOM 1849 C MET A 119 27.615 10.687 12.232 1.00 21.63 C ATOM 1850 O MET A 119 27.902 11.693 11.577 1.00 20.82 O ATOM 1851 CB MET A 119 27.256 9.065 10.340 1.00 21.56 C ATOM 1852 CG MET A 119 28.623 8.427 10.481 1.00 22.51 C ATOM 1853 SD MET A 119 28.591 6.916 11.465 1.00 23.61 S ATOM 1854 CE MET A 119 30.364 6.637 11.625 1.00 24.13 C ATOM 1855 HA MET A 119 26.573 8.798 12.342 1.00 0.00 H ATOM 1856 HB2 MET A 119 26.565 8.311 9.962 1.00 0.00 H ATOM 1857 HB3 MET A 119 27.333 9.880 9.620 1.00 0.00 H ATOM 1858 HG2 MET A 119 29.293 9.141 10.960 1.00 0.00 H ATOM 1859 HG3 MET A 119 29.000 8.188 9.487 1.00 0.00 H ATOM 1860 HE1 MET A 119 30.803 6.519 10.634 1.00 0.00 H ATOM 1861 HE2 MET A 119 30.821 7.490 12.127 1.00 0.00 H ATOM 1862 HE3 MET A 119 30.537 5.734 12.211 1.00 0.00 H ATOM 1863 H MET A 119 25.347 11.223 11.030 1.00 0.00 H ATOM 1864 N LYS A 120 28.075 10.459 13.461 1.00 21.48 N ATOM 1865 CA LYS A 120 28.913 11.434 14.157 1.00 23.12 C ATOM 1866 C LYS A 120 28.231 12.799 14.112 1.00 22.28 C ATOM 1867 O LYS A 120 27.072 12.916 14.506 1.00 23.00 O ATOM 1868 CB LYS A 120 30.334 11.470 13.559 1.00 22.66 C ATOM 1869 CG LYS A 120 31.178 10.245 13.876 1.00 25.10 C ATOM 1870 CD LYS A 120 32.540 10.279 13.152 1.00 26.40 C ATOM 1871 CE LYS A 120 33.518 11.239 13.859 1.00 33.49 C ATOM 1872 NZ LYS A 120 34.663 11.663 12.994 1.00 37.21 N ATOM 1873 HA LYS A 120 29.028 11.141 15.201 1.00 0.00 H ATOM 1874 HB2 LYS A 120 30.247 11.554 12.476 1.00 0.00 H ATOM 1875 HB3 LYS A 120 30.847 12.349 13.950 1.00 0.00 H ATOM 1876 HG2 LYS A 120 31.352 10.205 14.951 1.00 0.00 H ATOM 1877 HG3 LYS A 120 30.635 9.353 13.564 1.00 0.00 H ATOM 1878 HD2 LYS A 120 32.966 9.276 13.147 1.00 0.00 H ATOM 1879 HD3 LYS A 120 32.390 10.614 12.126 1.00 0.00 H ATOM 1880 HE2 LYS A 120 33.918 10.738 14.741 1.00 0.00 H ATOM 1881 HE3 LYS A 120 32.968 12.129 14.166 1.00 0.00 H ATOM 1882 HZ1 LYS A 120 35.204 10.824 12.701 1.00 0.00 H ATOM 1883 HZ2 LYS A 120 34.297 12.152 12.152 1.00 0.00 H ATOM 1884 HZ3 LYS A 120 35.281 12.306 13.529 1.00 0.00 H ATOM 1885 H LYS A 120 27.832 9.567 13.937 1.00 0.00 H ATOM 1886 N GLY A 121 28.924 13.817 13.619 1.00 21.74 N ATOM 1887 CA GLY A 121 28.381 15.179 13.616 1.00 21.24 C ATOM 1888 C GLY A 121 27.535 15.511 12.397 1.00 21.13 C ATOM 1889 O GLY A 121 27.095 16.666 12.228 1.00 21.19 O ATOM 1890 HA3 GLY A 121 29.215 15.880 13.655 1.00 0.00 H ATOM 1891 HA2 GLY A 121 27.763 15.303 14.505 1.00 0.00 H ATOM 1892 H GLY A 121 29.872 13.646 13.227 1.00 0.00 H ATOM 1893 N VAL A 122 27.274 14.498 11.568 1.00 20.24 N ATOM 1894 CA VAL A 122 26.586 14.704 10.297 1.00 20.21 C ATOM 1895 C VAL A 122 25.160 14.202 10.349 1.00 19.81 C ATOM 1896 O VAL A 122 24.907 13.077 10.777 1.00 19.35 O ATOM 1897 CB VAL A 122 27.350 14.050 9.109 1.00 20.60 C ATOM 1898 CG1 VAL A 122 26.546 14.165 7.809 1.00 21.23 C ATOM 1899 CG2 VAL A 122 28.733 14.711 8.927 1.00 20.94 C ATOM 1900 HA VAL A 122 26.563 15.780 10.126 1.00 0.00 H ATOM 1901 HB VAL A 122 27.487 12.994 9.341 1.00 0.00 H ATOM 1902 HG11 VAL A 122 25.588 13.660 7.930 1.00 0.00 H ATOM 1903 HG12 VAL A 122 26.377 15.217 7.580 1.00 0.00 H ATOM 1904 HG13 VAL A 122 27.104 13.700 6.996 1.00 0.00 H ATOM 1905 HG21 VAL A 122 28.602 15.774 8.723 1.00 0.00 H ATOM 1906 HG22 VAL A 122 29.318 14.584 9.838 1.00 0.00 H ATOM 1907 HG23 VAL A 122 29.252 14.241 8.092 1.00 0.00 H ATOM 1908 H VAL A 122 27.568 13.537 11.834 1.00 0.00 H ATOM 1909 N THR A 123 24.224 15.055 9.933 1.00 19.73 N ATOM 1910 CA THR A 123 22.828 14.659 9.822 1.00 19.13 C ATOM 1911 C THR A 123 22.314 14.925 8.418 1.00 19.09 C ATOM 1912 O THR A 123 22.346 16.071 7.931 1.00 18.24 O ATOM 1913 CB THR A 123 21.955 15.447 10.818 1.00 19.81 C ATOM 1914 OG1 THR A 123 22.375 15.182 12.156 1.00 20.47 O ATOM 1915 CG2 THR A 123 20.507 14.947 10.771 1.00 18.56 C ATOM 1916 HA THR A 123 22.768 13.594 10.046 1.00 0.00 H ATOM 1917 HB THR A 123 22.041 16.500 10.550 1.00 0.00 H ATOM 1918 HG1 THR A 123 23.320 15.456 12.264 1.00 0.00 H ATOM 1919 HG23 THR A 123 20.100 15.111 9.773 1.00 0.00 H ATOM 1920 HG21 THR A 123 20.484 13.882 11.004 1.00 0.00 H ATOM 1921 HG22 THR A 123 19.911 15.493 11.502 1.00 0.00 H ATOM 1922 H THR A 123 24.498 16.026 9.682 1.00 0.00 H ATOM 1923 N SER A 124 21.807 13.863 7.799 1.00 18.80 N ATOM 1924 CA SER A 124 21.242 13.926 6.467 1.00 19.05 C ATOM 1925 C SER A 124 19.746 13.676 6.524 1.00 19.32 C ATOM 1926 O SER A 124 19.276 12.734 7.191 1.00 18.91 O ATOM 1927 CB SER A 124 21.918 12.917 5.525 1.00 19.12 C ATOM 1928 OG SER A 124 21.210 12.825 4.298 1.00 18.93 O ATOM 1929 HA SER A 124 21.422 14.925 6.069 1.00 0.00 H ATOM 1930 HB2 SER A 124 21.936 11.937 6.003 1.00 0.00 H ATOM 1931 HB3 SER A 124 22.939 13.241 5.326 1.00 0.00 H ATOM 1932 HG SER A 124 21.195 13.713 3.860 1.00 0.00 H ATOM 1933 H SER A 124 21.817 12.948 8.293 1.00 0.00 H ATOM 1934 N THR A 125 19.002 14.523 5.819 1.00 18.46 N ATOM 1935 CA THR A 125 17.560 14.402 5.777 1.00 19.38 C ATOM 1936 C THR A 125 17.093 14.079 4.365 1.00 19.62 C ATOM 1937 O THR A 125 17.453 14.767 3.407 1.00 19.08 O ATOM 1938 CB THR A 125 16.928 15.701 6.282 1.00 19.59 C ATOM 1939 OG1 THR A 125 17.344 15.899 7.629 1.00 20.27 O ATOM 1940 CG2 THR A 125 15.423 15.576 6.393 1.00 20.19 C ATOM 1941 HA THR A 125 17.246 13.583 6.424 1.00 0.00 H ATOM 1942 HB THR A 125 17.217 16.494 5.592 1.00 0.00 H ATOM 1943 HG1 THR A 125 18.331 15.963 7.662 1.00 0.00 H ATOM 1944 HG23 THR A 125 14.999 15.419 5.401 1.00 0.00 H ATOM 1945 HG21 THR A 125 15.176 14.729 7.033 1.00 0.00 H ATOM 1946 HG22 THR A 125 15.015 16.490 6.824 1.00 0.00 H ATOM 1947 H THR A 125 19.465 15.287 5.287 1.00 0.00 H ATOM 1948 N ARG A 126 16.302 13.018 4.253 1.00 20.25 N ATOM 1949 CA ARG A 126 15.809 12.549 2.959 1.00 21.35 C ATOM 1950 C ARG A 126 14.303 12.422 3.005 1.00 21.31 C ATOM 1951 O ARG A 126 13.756 11.778 3.899 1.00 21.07 O ATOM 1952 CB ARG A 126 16.491 11.224 2.572 1.00 21.84 C ATOM 1953 CG ARG A 126 17.923 11.449 2.084 1.00 23.90 C ATOM 1954 CD ARG A 126 18.834 10.260 2.110 1.00 25.39 C ATOM 1955 NE ARG A 126 18.626 9.291 1.016 1.00 25.04 N ATOM 1956 CZ ARG A 126 19.066 9.395 -0.239 1.00 24.86 C ATOM 1957 NH1 ARG A 126 19.717 10.475 -0.670 1.00 23.98 N ATOM 1958 NH2 ARG A 126 18.843 8.391 -1.081 1.00 24.08 N ATOM 1959 HA ARG A 126 16.060 13.275 2.186 1.00 0.00 H ATOM 1960 HB2 ARG A 126 16.513 10.569 3.443 1.00 0.00 H ATOM 1961 HB3 ARG A 126 15.916 10.749 1.777 1.00 0.00 H ATOM 1962 HG2 ARG A 126 17.870 11.803 1.055 1.00 0.00 H ATOM 1963 HG3 ARG A 126 18.369 12.222 2.710 1.00 0.00 H ATOM 1964 HD2 ARG A 126 18.684 9.740 3.056 1.00 0.00 H ATOM 1965 HD3 ARG A 126 19.861 10.619 2.053 1.00 0.00 H ATOM 1966 HE ARG A 126 18.079 8.438 1.248 1.00 0.00 H ATOM 1967 HH12 ARG A 126 20.047 10.525 -1.655 1.00 0.00 H ATOM 1968 HH11 ARG A 126 19.895 11.268 -0.021 1.00 0.00 H ATOM 1969 HH22 ARG A 126 19.178 8.452 -2.064 1.00 0.00 H ATOM 1970 HH21 ARG A 126 18.334 7.544 -0.757 1.00 0.00 H ATOM 1971 H ARG A 126 16.024 12.504 5.114 1.00 0.00 H ATOM 1972 N VAL A 127 13.634 13.087 2.060 1.00 21.65 N ATOM 1973 CA VAL A 127 12.174 13.093 2.024 1.00 21.29 C ATOM 1974 C VAL A 127 11.663 12.301 0.832 1.00 20.93 C ATOM 1975 O VAL A 127 12.145 12.473 -0.290 1.00 20.50 O ATOM 1976 CB VAL A 127 11.597 14.530 1.996 1.00 21.57 C ATOM 1977 CG1 VAL A 127 10.074 14.496 2.033 1.00 21.27 C ATOM 1978 CG2 VAL A 127 12.134 15.346 3.163 1.00 21.60 C ATOM 1979 HA VAL A 127 11.830 12.618 2.943 1.00 0.00 H ATOM 1980 HB VAL A 127 11.912 15.005 1.067 1.00 0.00 H ATOM 1981 HG11 VAL A 127 9.703 13.948 1.167 1.00 0.00 H ATOM 1982 HG12 VAL A 127 9.745 14.000 2.946 1.00 0.00 H ATOM 1983 HG13 VAL A 127 9.688 15.515 2.013 1.00 0.00 H ATOM 1984 HG21 VAL A 127 11.849 14.869 4.100 1.00 0.00 H ATOM 1985 HG22 VAL A 127 13.221 15.400 3.097 1.00 0.00 H ATOM 1986 HG23 VAL A 127 11.716 16.352 3.124 1.00 0.00 H ATOM 1987 H VAL A 127 14.163 13.611 1.335 1.00 0.00 H ATOM 1988 N TYR A 128 10.697 11.425 1.113 1.00 20.92 N ATOM 1989 CA TYR A 128 10.032 10.605 0.119 1.00 21.00 C ATOM 1990 C TYR A 128 8.547 10.947 0.110 1.00 21.89 C ATOM 1991 O TYR A 128 7.958 11.192 1.167 1.00 22.30 O ATOM 1992 CB TYR A 128 10.169 9.116 0.468 1.00 20.74 C ATOM 1993 CG TYR A 128 11.576 8.531 0.403 1.00 20.11 C ATOM 1994 CD1 TYR A 128 12.543 8.851 1.358 1.00 17.69 C ATOM 1995 CD2 TYR A 128 11.923 7.622 -0.606 1.00 20.40 C ATOM 1996 CE1 TYR A 128 13.838 8.288 1.297 1.00 17.55 C ATOM 1997 CE2 TYR A 128 13.216 7.065 -0.687 1.00 19.86 C ATOM 1998 CZ TYR A 128 14.158 7.396 0.266 1.00 19.49 C ATOM 1999 OH TYR A 128 15.419 6.836 0.175 1.00 19.49 O ATOM 2000 HA TYR A 128 10.489 10.797 -0.852 1.00 0.00 H ATOM 2001 HB3 TYR A 128 9.543 8.554 -0.225 1.00 0.00 H ATOM 2002 HB2 TYR A 128 9.799 8.978 1.484 1.00 0.00 H ATOM 2003 HD2 TYR A 128 11.175 7.339 -1.346 1.00 0.00 H ATOM 2004 HE2 TYR A 128 13.469 6.379 -1.495 1.00 0.00 H ATOM 2005 HE1 TYR A 128 14.584 8.547 2.049 1.00 0.00 H ATOM 2006 HD1 TYR A 128 12.296 9.545 2.162 1.00 0.00 H ATOM 2007 HH TYR A 128 15.980 7.165 0.922 1.00 0.00 H ATOM 2008 H TYR A 128 10.403 11.324 2.105 1.00 0.00 H ATOM 2009 N GLU A 129 7.936 10.928 -1.071 1.00 22.06 N ATOM 2010 CA GLU A 129 6.483 11.031 -1.180 1.00 23.79 C ATOM 2011 C GLU A 129 5.895 9.793 -1.865 1.00 23.09 C ATOM 2012 O GLU A 129 6.618 9.054 -2.543 1.00 23.05 O ATOM 2013 CB GLU A 129 6.084 12.350 -1.866 1.00 23.67 C ATOM 2014 CG GLU A 129 6.257 13.541 -0.918 1.00 26.24 C ATOM 2015 CD GLU A 129 6.144 14.912 -1.564 1.00 27.05 C ATOM 2016 OE1 GLU A 129 5.956 15.015 -2.797 1.00 32.26 O ATOM 2017 OE2 GLU A 129 6.253 15.904 -0.819 1.00 30.15 O ATOM 2018 HA GLU A 129 6.053 11.057 -0.179 1.00 0.00 H ATOM 2019 HB2 GLU A 129 6.713 12.499 -2.744 1.00 0.00 H ATOM 2020 HB3 GLU A 129 5.040 12.289 -2.175 1.00 0.00 H ATOM 2021 HG2 GLU A 129 5.492 13.469 -0.145 1.00 0.00 H ATOM 2022 HG3 GLU A 129 7.243 13.465 -0.460 1.00 0.00 H ATOM 2023 H GLU A 129 8.506 10.838 -1.937 1.00 0.00 H ATOM 2024 N ARG A 130 4.604 9.535 -1.659 1.00 23.03 N ATOM 2025 CA ARG A 130 3.974 8.346 -2.253 1.00 23.57 C ATOM 2026 C ARG A 130 4.099 8.352 -3.770 1.00 23.61 C ATOM 2027 O ARG A 130 3.896 9.388 -4.404 1.00 22.46 O ATOM 2028 CB ARG A 130 2.504 8.221 -1.861 1.00 24.04 C ATOM 2029 CG ARG A 130 2.300 7.960 -0.419 1.00 25.16 C ATOM 2030 CD ARG A 130 0.930 7.470 -0.051 1.00 27.45 C ATOM 2031 NE ARG A 130 0.828 7.359 1.401 1.00 28.59 N ATOM 2032 CZ ARG A 130 1.028 6.246 2.090 1.00 31.46 C ATOM 2033 NH1 ARG A 130 1.317 5.108 1.469 1.00 31.44 N ATOM 2034 NH2 ARG A 130 0.917 6.269 3.413 1.00 33.88 N ATOM 2035 HA ARG A 130 4.509 7.483 -1.856 1.00 0.00 H ATOM 2036 HB2 ARG A 130 1.997 9.151 -2.119 1.00 0.00 H ATOM 2037 HB3 ARG A 130 2.064 7.400 -2.427 1.00 0.00 H ATOM 2038 HG2 ARG A 130 3.024 7.208 -0.105 1.00 0.00 H ATOM 2039 HG3 ARG A 130 2.484 8.888 0.122 1.00 0.00 H ATOM 2040 HD2 ARG A 130 0.759 6.493 -0.504 1.00 0.00 H ATOM 2041 HD3 ARG A 130 0.182 8.174 -0.416 1.00 0.00 H ATOM 2042 HE ARG A 130 0.580 8.217 1.934 1.00 0.00 H ATOM 2043 HH12 ARG A 130 1.472 4.240 2.020 1.00 0.00 H ATOM 2044 HH11 ARG A 130 1.388 5.085 0.432 1.00 0.00 H ATOM 2045 HH22 ARG A 130 1.072 5.400 3.963 1.00 0.00 H ATOM 2046 HH21 ARG A 130 0.675 7.156 3.899 1.00 0.00 H ATOM 2047 H ARG A 130 4.037 10.180 -1.073 1.00 0.00 H ATOM 2048 N ALA A 131 4.440 7.198 -4.342 1.00 23.80 N ATOM 2049 CA ALA A 131 4.698 7.107 -5.786 1.00 25.12 C ATOM 2050 C ALA A 131 3.405 7.131 -6.607 1.00 25.77 C ATOM 2051 O ALA A 131 2.309 7.079 -6.035 1.00 26.53 O ATOM 2052 CB ALA A 131 5.507 5.857 -6.108 1.00 25.72 C ATOM 2053 HA ALA A 131 5.277 7.987 -6.065 1.00 0.00 H ATOM 2054 HB1 ALA A 131 6.460 5.896 -5.580 1.00 0.00 H ATOM 2055 HB2 ALA A 131 4.951 4.974 -5.792 1.00 0.00 H ATOM 2056 HB3 ALA A 131 5.687 5.809 -7.182 1.00 0.00 H ATOM 2057 H ALA A 131 4.525 6.344 -3.755 1.00 0.00 H TER 2058 ALA A 131 HETATM 2059 O HOH 1 0.675 -4.299 12.964 1.00 81.54 O HETATM 2060 O HOH 2 0.366 -3.823 16.031 1.00 43.34 O HETATM 2061 O HOH 3 -0.174 6.825 -5.144 1.00 52.46 O HETATM 2062 O HOH 4 0.517 3.832 4.699 1.00 26.71 O HETATM 2063 O HOH 5 0.997 -6.590 11.602 1.00 36.17 O HETATM 2064 O HOH 6 1.947 -4.467 3.752 1.00 19.25 O HETATM 2065 O HOH 7 2.054 4.055 -1.520 1.00 29.81 O HETATM 2066 O HOH 8 -1.895 -8.469 11.135 1.00 49.26 O HETATM 2067 O HOH 9 2.509 0.000 -6.595 1.00 45.40 O HETATM 2068 O HOH 10 3.282 -0.270 -1.979 1.00 23.42 O HETATM 2069 O HOH 11 1.846 5.124 -3.791 1.00 32.23 O HETATM 2070 O HOH 12 2.843 4.786 13.355 1.00 52.28 O HETATM 2071 O HOH 13 3.034 11.646 -0.416 1.00 23.75 O HETATM 2072 O HOH 14 3.422 15.499 13.170 1.00 59.72 O HETATM 2073 O HOH 15 4.060 -3.362 13.168 1.00 40.15 O HETATM 2074 O HOH 16 3.952 -2.021 0.092 1.00 20.70 O HETATM 2075 O HOH 17 4.738 -12.891 8.652 1.00 31.04 O HETATM 2076 O HOH 18 4.686 -4.106 -1.482 1.00 26.32 O HETATM 2077 O HOH 19 4.115 9.773 20.063 1.00 53.77 O HETATM 2078 O HOH 20 5.656 -7.999 3.201 1.00 43.00 O HETATM 2079 O HOH 21 4.486 17.385 0.548 1.00 71.26 O HETATM 2080 O HOH 22 5.360 -2.817 -9.189 1.00 49.45 O HETATM 2081 O HOH 23 5.801 13.887 -4.933 1.00 30.39 O HETATM 2082 O HOH 24 7.046 19.698 5.998 1.00 44.07 O HETATM 2083 O HOH 25 6.757 -9.428 1.459 1.00 30.10 O HETATM 2084 O HOH 26 7.200 -8.371 5.625 1.00 23.20 O HETATM 2085 O HOH 27 7.713 -6.396 14.287 1.00 18.91 O HETATM 2086 O HOH 28 8.366 -4.192 0.944 1.00 20.58 O HETATM 2087 O HOH 29 8.605 -1.807 -7.850 1.00 44.13 O HETATM 2088 O HOH 30 8.392 6.246 23.194 1.00 38.52 O HETATM 2089 O HOH 31 8.276 17.391 -0.180 1.00 26.04 O HETATM 2090 O HOH 32 9.108 -9.971 2.535 1.00 30.88 O HETATM 2091 O HOH 33 10.126 -12.506 3.548 1.00 30.93 O HETATM 2092 O HOH 34 9.666 -1.599 19.057 1.00 30.71 O HETATM 2093 O HOH 35 10.403 18.502 9.381 1.00 56.54 O HETATM 2094 O HOH 36 10.834 -10.454 0.389 1.00 17.72 O HETATM 2095 O HOH 37 11.996 0.494 -8.698 1.00 31.59 O HETATM 2096 O HOH 38 11.003 17.609 0.537 1.00 36.13 O HETATM 2097 O HOH 39 12.421 15.953 -6.486 1.00 24.51 O HETATM 2098 O HOH 40 12.492 -14.393 14.084 1.00 33.41 O HETATM 2099 O HOH 41 12.609 -3.707 -9.133 1.00 31.02 O HETATM 2100 O HOH 42 12.786 8.063 -8.318 1.00 43.11 O HETATM 2101 O HOH 43 13.894 20.453 3.813 1.00 38.86 O HETATM 2102 O HOH 44 13.640 -9.799 3.239 1.00 26.28 O HETATM 2103 O HOH 45 13.895 -6.376 -2.725 1.00 29.74 O HETATM 2104 O HOH 46 14.749 -8.951 13.171 1.00 19.33 O HETATM 2105 O HOH 47 13.962 -5.400 -6.090 1.00 53.27 O HETATM 2106 O HOH 48 14.351 3.489 10.622 1.00 19.06 O HETATM 2107 O HOH 49 15.329 19.812 6.033 1.00 42.54 O HETATM 2108 O HOH 50 15.052 -5.265 14.565 1.00 15.53 O HETATM 2109 O HOH 51 14.782 -4.144 -3.836 1.00 31.60 O HETATM 2110 O HOH 52 15.440 15.859 9.922 1.00 41.11 O HETATM 2111 O HOH 53 15.518 16.673 2.160 1.00 26.52 O HETATM 2112 O HOH 54 15.983 -11.495 7.314 1.00 49.37 O HETATM 2113 O HOH 55 15.967 14.689 14.767 1.00 32.87 O HETATM 2114 O HOH 56 16.263 19.845 -0.084 1.00 18.96 O HETATM 2115 O HOH 57 16.867 -8.997 5.955 1.00 29.00 O HETATM 2116 O HOH 58 16.696 -7.366 -9.296 1.00 57.30 O HETATM 2117 O HOH 59 17.278 5.614 -9.294 1.00 37.33 O HETATM 2118 O HOH 60 17.737 -8.761 -11.402 1.00 29.10 O HETATM 2119 O HOH 61 17.916 -12.169 13.938 1.00 31.29 O HETATM 2120 O HOH 62 17.880 12.066 16.083 1.00 30.72 O HETATM 2121 O HOH 63 18.131 -0.416 19.469 1.00 20.19 O HETATM 2122 O HOH 64 19.105 1.508 -2.663 1.00 23.26 O HETATM 2123 O HOH 65 18.626 9.547 13.448 1.00 26.58 O HETATM 2124 O HOH 66 19.008 -8.382 2.163 1.00 20.41 O HETATM 2125 O HOH 67 19.399 -6.391 -8.438 1.00 47.43 O HETATM 2126 O HOH 68 19.664 -4.745 20.221 1.00 45.19 O HETATM 2127 O HOH 69 19.750 17.277 7.461 1.00 22.18 O HETATM 2128 O HOH 70 19.404 19.683 6.103 1.00 26.53 O HETATM 2129 O HOH 71 19.614 -8.345 6.318 1.00 30.80 O HETATM 2130 O HOH 72 20.209 -5.028 2.847 1.00 40.58 O HETATM 2131 O HOH 73 20.553 -2.491 3.602 1.00 27.25 O HETATM 2132 O HOH 74 21.233 7.816 -12.128 1.00 50.25 O HETATM 2133 O HOH 75 20.576 9.375 -3.395 1.00 23.64 O HETATM 2134 O HOH 76 21.153 -4.148 -7.174 1.00 27.61 O HETATM 2135 O HOH 77 21.132 6.099 -2.923 1.00 35.12 O HETATM 2136 O HOH 78 21.414 -8.305 4.154 1.00 23.11 O HETATM 2137 O HOH 79 22.267 9.713 17.149 1.00 32.92 O HETATM 2138 O HOH 80 22.052 1.463 5.339 1.00 20.59 O HETATM 2139 O HOH 81 13.866 10.305 -10.405 1.00 43.71 O HETATM 2140 O HOH 82 22.507 -10.778 16.762 1.00 32.75 O HETATM 2141 O HOH 83 22.088 -5.636 0.544 1.00 30.83 O HETATM 2142 O HOH 84 21.690 -0.037 2.506 1.00 21.17 O HETATM 2143 O HOH 85 20.495 -1.517 -9.225 1.00 38.78 O HETATM 2144 O HOH 86 23.560 3.367 6.744 1.00 17.68 O HETATM 2145 O HOH 87 12.614 -12.996 2.257 1.00 18.90 O HETATM 2146 O HOH 88 24.477 6.190 16.173 1.00 40.90 O HETATM 2147 O HOH 89 24.235 17.629 12.233 1.00 19.42 O HETATM 2148 O HOH 90 24.268 18.642 9.616 1.00 38.79 O HETATM 2149 O HOH 91 26.072 11.642 16.572 1.00 28.29 O HETATM 2150 O HOH 92 27.062 12.235 -7.420 1.00 36.22 O HETATM 2151 O HOH 93 27.296 11.969 -3.334 1.00 30.71 O HETATM 2152 O HOH 94 26.757 16.584 1.637 1.00 21.39 O HETATM 2153 O HOH 95 26.852 18.074 6.518 1.00 28.55 O HETATM 2154 O HOH 96 27.523 7.923 14.875 1.00 36.36 O HETATM 2155 O HOH 97 27.459 19.127 13.239 1.00 22.62 O HETATM 2156 O HOH 98 27.291 21.383 10.530 1.00 52.85 O HETATM 2157 O HOH 99 28.608 -6.292 12.194 1.00 42.08 O HETATM 2158 O HOH 100 29.698 -5.278 -4.184 1.00 54.04 O HETATM 2159 O HOH 101 28.650 -4.640 15.891 1.00 38.02 O HETATM 2160 O HOH 102 29.413 -0.496 17.756 1.00 31.89 O HETATM 2161 O HOH 103 29.954 6.061 15.372 1.00 22.83 O HETATM 2162 O HOH 104 30.902 16.817 11.412 1.00 51.55 O HETATM 2163 O HOH 105 29.995 19.666 4.326 1.00 42.10 O HETATM 2164 O HOH 106 30.438 -2.947 16.849 1.00 25.19 O HETATM 2165 O HOH 107 31.183 6.609 -9.719 1.00 51.74 O HETATM 2166 O HOH 108 31.081 15.137 1.340 1.00 35.72 O HETATM 2167 O HOH 109 31.796 -4.160 7.215 1.00 27.91 O HETATM 2168 O HOH 110 30.522 1.712 -7.542 1.00 49.10 O HETATM 2169 O HOH 111 31.511 -5.620 10.245 1.00 39.42 O HETATM 2170 O HOH 112 31.668 -5.206 13.627 1.00 28.71 O HETATM 2171 O HOH 113 32.298 1.689 -0.182 1.00 35.42 O HETATM 2172 O HOH 114 31.537 1.657 3.394 1.00 31.17 O HETATM 2173 O HOH 115 31.485 14.425 12.325 1.00 26.35 O HETATM 2174 O HOH 116 32.275 -0.916 2.954 1.00 40.27 O HETATM 2175 O HOH 117 32.770 2.134 7.853 1.00 26.97 O HETATM 2176 O HOH 118 33.963 4.675 17.607 1.00 45.68 O HETATM 2177 O HOH 119 34.620 9.306 9.161 1.00 50.91 O HETATM 2178 O HOH 120 32.748 13.740 -1.321 1.00 38.65 O HETATM 2179 O HOH 121 32.871 17.937 5.231 1.00 50.65 O HETATM 2180 O HOH 122 33.876 3.259 -3.608 1.00 29.41 O HETATM 2181 O HOH 123 36.626 6.879 9.057 1.00 57.60 O HETATM 2182 O HOH 124 35.690 -4.513 14.717 1.00 45.23 O HETATM 2183 O HOH 125 35.456 2.156 1.989 1.00 35.47 O HETATM 2184 O HOH 126 35.830 3.748 7.686 1.00 46.46 O HETATM 2185 O HOH 127 36.359 14.645 6.792 1.00 48.12 O HETATM 2186 O HOH 128 36.413 5.345 -4.841 1.00 32.09 O HETATM 2187 O HOH 129 37.446 4.782 4.507 1.00 57.84 O HETATM 2188 O HOH 130 37.879 8.365 13.299 1.00 54.10 O HETATM 2189 O HOH 131 15.797 4.149 -0.270 1.00 20.53 O HETATM 2190 O HOH 132 17.721 2.507 1.599 1.00 44.18 O HETATM 2191 O HOH 133 19.525 0.530 1.107 1.00 38.08 O HETATM 2192 O HOH 134 15.610 2.982 3.223 1.00 54.33 O HETATM 2193 F27 B A 1 21.491 5.646 4.624 1.00 -0.23 F HETATM 2194 C24 B A 1 20.312 5.057 4.636 1.00 0.38 C HETATM 2195 F25 B A 1 19.673 5.436 5.648 1.00 -0.23 F HETATM 2196 F26 B A 1 20.480 3.746 4.679 1.00 -0.23 F HETATM 2197 C9 B A 1 19.587 5.422 3.430 1.00 0.09 C HETATM 2198 N11 B A 1 19.925 4.853 2.250 1.00 -0.29 N HETATM 2199 C1 B A 1 19.291 5.197 1.121 1.00 0.22 C HETATM 2200 N3 B A 1 18.300 6.119 1.125 1.00 -0.17 N HETATM 2201 C5 B A 1 17.933 6.711 2.270 1.00 0.27 C HETATM 2202 C7 B A 1 18.577 6.384 3.460 1.00 0.07 C HETATM 2203 H1 B A 1 18.298 6.869 4.394 1.00 0.12 H HETATM 2204 O13 B A 1 16.936 7.635 2.246 1.00 -0.36 O HETATM 2205 H2 B A 1 17.840 6.359 0.270 1.00 0.26 H HETATM 2206 S14 B A 1 19.716 4.453 -0.402 1.00 0.00 S HETATM 2207 C15 B A 1 21.066 3.337 0.070 1.00 0.11 C HETATM 2208 C16 B A 1 22.416 3.990 -0.169 1.00 0.19 C HETATM 2209 O23 B A 1 22.621 4.646 -1.183 1.00 -0.40 O HETATM 2210 N17 B A 1 23.475 3.806 0.761 1.00 -0.27 N HETATM 2211 C18 B A 1 23.024 3.854 2.166 1.00 0.03 C HETATM 2212 C19 B A 1 24.151 3.395 3.096 1.00 -0.03 C HETATM 2213 C20 B A 1 25.489 4.096 2.810 1.00 -0.05 C HETATM 2214 C21 B A 1 25.787 4.378 1.332 1.00 -0.03 C HETATM 2215 C22 B A 1 24.550 4.796 0.548 1.00 0.03 C HETATM 2216 H13 B A 1 24.213 5.784 0.895 1.00 0.05 H HETATM 2217 H14 B A 1 24.795 4.847 -0.523 1.00 0.05 H HETATM 2218 H11 B A 1 26.200 3.466 0.877 1.00 0.03 H HETATM 2219 H12 B A 1 26.531 5.186 1.272 1.00 0.03 H HETATM 2220 H9 B A 1 26.295 3.459 3.202 1.00 0.03 H HETATM 2221 H10 B A 1 25.488 5.057 3.345 1.00 0.03 H HETATM 2222 H7 B A 1 24.289 2.311 2.970 1.00 0.03 H HETATM 2223 H8 B A 1 23.858 3.610 4.134 1.00 0.03 H HETATM 2224 H5 B A 1 22.155 3.191 2.292 1.00 0.05 H HETATM 2225 H6 B A 1 22.739 4.885 2.422 1.00 0.05 H HETATM 2226 H3 B A 1 21.000 2.417 -0.530 1.00 0.07 H HETATM 2227 H4 B A 1 20.971 3.087 1.137 1.00 0.07 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 2193 2194 CONECT 2194 2193 2195 2196 2197 CONECT 2195 2194 CONECT 2196 2194 CONECT 2197 2194 2198 2202 CONECT 2198 2197 2199 CONECT 2199 2198 2200 2206 CONECT 2200 2199 2201 2205 CONECT 2201 2200 2202 2204 CONECT 2202 2197 2201 2203 CONECT 2203 2202 CONECT 2204 2201 CONECT 2205 2200 CONECT 2206 2199 2207 CONECT 2207 2206 2208 2226 2227 CONECT 2208 2207 2209 2210 CONECT 2209 2208 CONECT 2210 2208 2211 2215 CONECT 2211 2210 2212 2224 2225 CONECT 2212 2211 2213 2222 2223 CONECT 2213 2212 2214 2220 2221 CONECT 2214 2213 2215 2218 2219 CONECT 2215 2210 2214 2216 2217 CONECT 2216 2215 CONECT 2217 2215 CONECT 2218 2214 CONECT 2219 2214 CONECT 2220 2213 CONECT 2221 2213 CONECT 2222 2212 CONECT 2223 2212 CONECT 2224 2211 CONECT 2225 2211 CONECT 2226 2207 CONECT 2227 2207 MASTER 0 0 0 0 0 0 0 0 2226 1 39 11 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1tou
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fatty acid binding protein, adipocyte
Ligand Name
B1V
EC.Number
E.C.-.-.-.-
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
IC50=1uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
BIOORG.MED.CHEM.LETT.v14;pp.4449-4452
Ligand Properties
Formula
C
1
2
H
1
4
F
3
N
3
O
2
S
Molecular Weight
321.319
Exact Mass
321.076
No. of atoms
35
No. of bonds
36
Polar Surface Area
91.36
LOGP Value
1.49 (
Computed with XLOGP3
)
1.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 2
Canonical SMILES
O=C(N1CCCCC1)CSc1nc(cc(=O)[nH]1)C(F)(F)F
InChI String
InChI=1S/C12H14F3N3O2S/c13-12(14,15)8-6-9(19)17-11(16-8)21-7-10(20)18-4-2-1-3-5-18/h6H,1-5,7H2,(H,16,17,19)
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):
P15090
Entrez Gene ID
NCBI Entrez Gene ID:
2167
ASD
Information of known allosteric effects of PDB entries
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