Browse entries in the PDBbind-CN Database
HEADER 1FDQ_COMPLEX COMPND 1FDQ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 131 VAL GLU ALA PHE CYS ALA THR TRP LYS LEU THR ASN SER SEQRES 2 A 131 GLN ASN PHE ASP GLU TYR MET LYS ALA LEU GLY VAL GLY SEQRES 3 A 131 PHE ALA THR ARG GLN VAL GLY ASN VAL THR LYS PRO THR SEQRES 4 A 131 VAL ILE ILE SER GLN GLU GLY ASP LYS VAL VAL ILE ARG SEQRES 5 A 131 THR LEU SER THR PHE LYS ASN THR GLU ILE SER PHE GLN SEQRES 6 A 131 LEU GLY GLU GLU PHE ASP GLU THR THR ALA ASP ASP ARG SEQRES 7 A 131 ASN CYS LYS SER VAL VAL SER LEU ASP GLY ASP LYS LEU SEQRES 8 A 131 VAL HIS ILE GLN LYS TRP ASP GLY LYS GLU THR ASN PHE SEQRES 9 A 131 VAL ARG GLU ILE LYS ASP GLY LYS MET VAL MET THR LEU SEQRES 10 A 131 THR PHE GLY ASP VAL VAL ALA VAL ARG HIS TYR GLU LYS SEQRES 11 A 131 ALA HET HXA A 177 55 ATOM 1 N VAL A 1 24.396 18.450 -1.523 1.00 25.86 N ATOM 2 CA VAL A 1 23.456 18.176 -0.380 1.00 25.86 C ATOM 3 C VAL A 1 23.003 19.471 0.304 1.00 25.86 C ATOM 4 O VAL A 1 21.862 19.576 0.769 1.00 25.86 O ATOM 5 CB VAL A 1 24.110 17.249 0.671 1.00 25.86 C ATOM 6 CG1 VAL A 1 25.469 17.823 1.095 1.00 25.86 C ATOM 7 CG2 VAL A 1 23.176 17.070 1.863 1.00 25.86 C ATOM 8 HA VAL A 1 22.583 17.680 -0.805 1.00 0.00 H ATOM 9 HB VAL A 1 24.283 16.265 0.236 1.00 0.00 H ATOM 10 HG11 VAL A 1 26.119 17.896 0.223 1.00 0.00 H ATOM 11 HG12 VAL A 1 25.325 18.814 1.526 1.00 0.00 H ATOM 12 HG13 VAL A 1 25.925 17.166 1.835 1.00 0.00 H ATOM 13 HG21 VAL A 1 22.976 18.041 2.316 1.00 0.00 H ATOM 14 HG22 VAL A 1 22.240 16.626 1.526 1.00 0.00 H ATOM 15 HG23 VAL A 1 23.647 16.416 2.597 1.00 0.00 H ATOM 16 HN3 VAL A 1 25.238 18.945 -1.166 1.00 0.00 H ATOM 17 HN2 VAL A 1 23.917 19.044 -2.230 1.00 0.00 H ATOM 18 HN1 VAL A 1 24.680 17.550 -1.960 1.00 0.00 H ATOM 19 N GLU A 2 23.897 20.454 0.368 1.00 25.86 N ATOM 20 CA GLU A 2 23.538 21.731 0.960 1.00 25.86 C ATOM 21 C GLU A 2 22.438 22.326 0.064 1.00 25.86 C ATOM 22 O GLU A 2 21.552 23.045 0.530 1.00 25.86 O ATOM 23 CB GLU A 2 24.761 22.661 1.023 1.00 25.86 C ATOM 24 CG GLU A 2 25.969 22.052 1.743 1.00 25.86 C ATOM 25 CD GLU A 2 26.801 21.136 0.837 1.00 25.86 C ATOM 26 OE1 GLU A 2 27.292 20.089 1.335 1.00 25.86 O ATOM 27 OE2 GLU A 2 26.975 21.476 -0.367 1.00 25.86 O ATOM 28 HA GLU A 2 23.185 21.610 1.984 1.00 0.00 H ATOM 29 HB2 GLU A 2 25.058 22.908 0.004 1.00 0.00 H ATOM 30 HB3 GLU A 2 24.473 23.572 1.547 1.00 0.00 H ATOM 31 HG2 GLU A 2 26.606 22.861 2.100 1.00 0.00 H ATOM 32 HG3 GLU A 2 25.612 21.470 2.593 1.00 0.00 H ATOM 33 H GLU A 2 24.856 20.308 -0.007 1.00 0.00 H ATOM 34 N ALA A 3 22.487 22.001 -1.221 1.00 25.86 N ATOM 35 CA ALA A 3 21.481 22.485 -2.162 1.00 25.86 C ATOM 36 C ALA A 3 20.055 22.043 -1.779 1.00 25.86 C ATOM 37 O ALA A 3 19.080 22.765 -2.040 1.00 25.86 O ATOM 38 CB ALA A 3 21.817 21.995 -3.576 1.00 25.86 C ATOM 39 HA ALA A 3 21.501 23.574 -2.128 1.00 0.00 H ATOM 40 HB1 ALA A 3 22.797 22.374 -3.867 1.00 0.00 H ATOM 41 HB2 ALA A 3 21.829 20.905 -3.588 1.00 0.00 H ATOM 42 HB3 ALA A 3 21.063 22.359 -4.274 1.00 0.00 H ATOM 43 H ALA A 3 23.256 21.391 -1.564 1.00 0.00 H ATOM 44 N PHE A 4 19.935 20.867 -1.163 1.00 25.86 N ATOM 45 CA PHE A 4 18.630 20.316 -0.752 1.00 25.86 C ATOM 46 C PHE A 4 18.246 20.692 0.692 1.00 25.86 C ATOM 47 O PHE A 4 17.152 20.362 1.169 1.00 25.86 O ATOM 48 CB PHE A 4 18.663 18.787 -0.848 1.00 25.86 C ATOM 49 CG PHE A 4 18.986 18.262 -2.214 1.00 25.86 C ATOM 50 CD1 PHE A 4 18.007 18.196 -3.196 1.00 25.86 C ATOM 51 CD2 PHE A 4 20.272 17.823 -2.520 1.00 25.86 C ATOM 52 CE1 PHE A 4 18.296 17.699 -4.459 1.00 25.86 C ATOM 53 CE2 PHE A 4 20.569 17.325 -3.788 1.00 25.86 C ATOM 54 CZ PHE A 4 19.575 17.263 -4.760 1.00 25.86 C ATOM 55 HA PHE A 4 17.888 20.745 -1.425 1.00 0.00 H ATOM 56 HB2 PHE A 4 19.417 18.417 -0.153 1.00 0.00 H ATOM 57 HB3 PHE A 4 17.684 18.405 -0.558 1.00 0.00 H ATOM 58 HD2 PHE A 4 21.053 17.869 -1.761 1.00 0.00 H ATOM 59 HE2 PHE A 4 21.579 16.985 -4.018 1.00 0.00 H ATOM 60 HZ PHE A 4 19.802 16.873 -5.752 1.00 0.00 H ATOM 61 HE1 PHE A 4 17.514 17.652 -5.216 1.00 0.00 H ATOM 62 HD1 PHE A 4 16.997 18.539 -2.972 1.00 0.00 H ATOM 63 H PHE A 4 20.795 20.317 -0.964 1.00 0.00 H ATOM 64 N CYS A 5 19.148 21.364 1.397 1.00 25.86 N ATOM 65 CA CYS A 5 18.869 21.707 2.780 1.00 25.86 C ATOM 66 C CYS A 5 17.947 22.890 2.939 1.00 25.86 C ATOM 67 O CYS A 5 18.375 24.034 2.863 1.00 25.86 O ATOM 68 CB CYS A 5 20.176 21.932 3.549 1.00 25.86 C ATOM 69 SG CYS A 5 21.016 20.373 3.925 1.00 25.86 S ATOM 70 HA CYS A 5 18.338 20.855 3.204 1.00 0.00 H ATOM 71 HB2 CYS A 5 19.951 22.446 4.484 1.00 0.00 H ATOM 72 HB3 CYS A 5 20.838 22.552 2.945 1.00 0.00 H ATOM 73 HG CYS A 5 21.314 19.717 2.748 1.00 0.00 H ATOM 74 H CYS A 5 20.050 21.643 0.961 1.00 0.00 H ATOM 75 N ALA A 6 16.671 22.593 3.163 1.00 25.86 N ATOM 76 CA ALA A 6 15.667 23.625 3.345 1.00 25.86 C ATOM 77 C ALA A 6 14.297 23.019 3.591 1.00 25.86 C ATOM 78 O ALA A 6 14.107 21.809 3.485 1.00 25.86 O ATOM 79 CB ALA A 6 15.616 24.527 2.110 1.00 25.86 C ATOM 80 HA ALA A 6 15.944 24.215 4.218 1.00 0.00 H ATOM 81 HB1 ALA A 6 16.590 24.994 1.962 1.00 0.00 H ATOM 82 HB2 ALA A 6 15.362 23.929 1.235 1.00 0.00 H ATOM 83 HB3 ALA A 6 14.860 25.298 2.256 1.00 0.00 H ATOM 84 H ALA A 6 16.384 21.594 3.209 1.00 0.00 H ATOM 85 N THR A 7 13.342 23.874 3.924 1.00 25.86 N ATOM 86 CA THR A 7 11.971 23.438 4.137 1.00 25.86 C ATOM 87 C THR A 7 11.276 23.582 2.784 1.00 25.86 C ATOM 88 O THR A 7 11.298 24.658 2.184 1.00 25.86 O ATOM 89 CB THR A 7 11.279 24.312 5.183 1.00 25.86 C ATOM 90 OG1 THR A 7 11.838 24.025 6.477 1.00 25.86 O ATOM 91 CG2 THR A 7 9.776 24.056 5.186 1.00 25.86 C ATOM 92 HA THR A 7 11.934 22.413 4.506 1.00 0.00 H ATOM 93 HB THR A 7 11.441 25.362 4.940 1.00 0.00 H ATOM 94 HG1 THR A 7 11.394 24.588 7.159 1.00 0.00 H ATOM 95 HG23 THR A 7 9.369 24.278 4.200 1.00 0.00 H ATOM 96 HG21 THR A 7 9.587 23.011 5.432 1.00 0.00 H ATOM 97 HG22 THR A 7 9.301 24.697 5.929 1.00 0.00 H ATOM 98 H THR A 7 13.578 24.881 4.036 1.00 0.00 H ATOM 99 N TRP A 8 10.690 22.491 2.296 1.00 25.86 N ATOM 100 CA TRP A 8 10.018 22.494 0.997 1.00 25.86 C ATOM 101 C TRP A 8 8.527 22.177 1.080 1.00 25.86 C ATOM 102 O TRP A 8 8.091 21.382 1.913 1.00 25.86 O ATOM 103 CB TRP A 8 10.660 21.467 0.056 1.00 25.86 C ATOM 104 CG TRP A 8 12.138 21.585 -0.129 1.00 25.86 C ATOM 105 CD1 TRP A 8 13.113 21.117 0.707 1.00 25.86 C ATOM 106 CD2 TRP A 8 12.814 22.228 -1.214 1.00 25.86 C ATOM 107 NE1 TRP A 8 14.353 21.432 0.213 1.00 25.86 N ATOM 108 CE2 TRP A 8 14.202 22.117 -0.966 1.00 25.86 C ATOM 109 CE3 TRP A 8 12.383 22.892 -2.374 1.00 25.86 C ATOM 110 CZ2 TRP A 8 15.165 22.645 -1.832 1.00 25.86 C ATOM 111 CZ3 TRP A 8 13.342 23.418 -3.238 1.00 25.86 C ATOM 112 CH2 TRP A 8 14.719 23.290 -2.959 1.00 25.86 C ATOM 113 HA TRP A 8 10.132 23.509 0.617 1.00 0.00 H ATOM 114 HB2 TRP A 8 10.451 20.474 0.453 1.00 0.00 H ATOM 115 HB3 TRP A 8 10.191 21.572 -0.923 1.00 0.00 H ATOM 116 HE1 TRP A 8 15.261 21.191 0.660 1.00 0.00 H ATOM 117 HD1 TRP A 8 12.931 20.572 1.633 1.00 0.00 H ATOM 118 HZ2 TRP A 8 16.230 22.548 -1.620 1.00 0.00 H ATOM 119 HH2 TRP A 8 15.445 23.713 -3.654 1.00 0.00 H ATOM 120 HZ3 TRP A 8 13.023 23.936 -4.143 1.00 0.00 H ATOM 121 HE3 TRP A 8 11.320 22.994 -2.594 1.00 0.00 H ATOM 122 H TRP A 8 10.711 21.613 2.853 1.00 0.00 H ATOM 123 N LYS A 9 7.749 22.791 0.194 1.00 25.86 N ATOM 124 CA LYS A 9 6.323 22.545 0.144 1.00 25.86 C ATOM 125 C LYS A 9 5.912 22.000 -1.244 1.00 25.86 C ATOM 126 O LYS A 9 6.345 22.503 -2.292 1.00 25.86 O ATOM 127 CB LYS A 9 5.564 23.826 0.483 1.00 25.86 C ATOM 128 CG LYS A 9 5.789 24.304 1.918 1.00 25.86 C ATOM 129 CD LYS A 9 4.982 25.552 2.223 1.00 25.86 C ATOM 130 CE LYS A 9 3.489 25.281 2.101 1.00 25.86 C ATOM 131 NZ LYS A 9 2.670 26.542 2.085 1.00 25.86 N ATOM 132 HA LYS A 9 6.066 21.787 0.884 1.00 0.00 H ATOM 133 HB2 LYS A 9 5.890 24.612 -0.198 1.00 0.00 H ATOM 134 HB3 LYS A 9 4.499 23.644 0.342 1.00 0.00 H ATOM 135 HG2 LYS A 9 5.491 23.513 2.606 1.00 0.00 H ATOM 136 HG3 LYS A 9 6.848 24.524 2.056 1.00 0.00 H ATOM 137 HD2 LYS A 9 5.203 25.880 3.239 1.00 0.00 H ATOM 138 HD3 LYS A 9 5.260 26.337 1.520 1.00 0.00 H ATOM 139 HE2 LYS A 9 3.175 24.671 2.948 1.00 0.00 H ATOM 140 HE3 LYS A 9 3.308 24.735 1.175 1.00 0.00 H ATOM 141 HZ1 LYS A 9 2.828 27.068 2.968 1.00 0.00 H ATOM 142 HZ2 LYS A 9 2.955 27.129 1.275 1.00 0.00 H ATOM 143 HZ3 LYS A 9 1.662 26.298 2.000 1.00 0.00 H ATOM 144 H LYS A 9 8.174 23.462 -0.477 1.00 0.00 H ATOM 145 N LEU A 10 5.097 20.949 -1.232 1.00 25.86 N ATOM 146 CA LEU A 10 4.623 20.320 -2.459 1.00 25.86 C ATOM 147 C LEU A 10 3.756 21.329 -3.202 1.00 25.86 C ATOM 148 O LEU A 10 2.806 21.864 -2.646 1.00 25.86 O ATOM 149 CB LEU A 10 3.786 19.075 -2.121 1.00 25.86 C ATOM 150 CG LEU A 10 3.512 17.987 -3.171 1.00 25.86 C ATOM 151 CD1 LEU A 10 2.074 17.513 -2.999 1.00 25.86 C ATOM 152 CD2 LEU A 10 3.731 18.498 -4.586 1.00 25.86 C ATOM 153 HA LEU A 10 5.469 20.015 -3.075 1.00 0.00 H ATOM 154 HB2 LEU A 10 4.289 18.582 -1.289 1.00 0.00 H ATOM 155 HB3 LEU A 10 2.812 19.438 -1.791 1.00 0.00 H ATOM 156 HG LEU A 10 4.210 17.164 -3.020 1.00 0.00 H ATOM 157 HD21 LEU A 10 3.059 19.335 -4.777 1.00 0.00 H ATOM 158 HD22 LEU A 10 4.764 18.828 -4.696 1.00 0.00 H ATOM 159 HD23 LEU A 10 3.526 17.697 -5.296 1.00 0.00 H ATOM 160 HD11 LEU A 10 1.944 17.108 -1.995 1.00 0.00 H ATOM 161 HD12 LEU A 10 1.396 18.354 -3.144 1.00 0.00 H ATOM 162 HD13 LEU A 10 1.857 16.739 -3.735 1.00 0.00 H ATOM 163 H LEU A 10 4.788 20.563 -0.317 1.00 0.00 H ATOM 164 N THR A 11 4.086 21.593 -4.458 1.00 25.86 N ATOM 165 CA THR A 11 3.300 22.533 -5.238 1.00 25.86 C ATOM 166 C THR A 11 2.585 21.843 -6.396 1.00 25.86 C ATOM 167 O THR A 11 1.676 22.424 -6.995 1.00 25.86 O ATOM 168 CB THR A 11 4.172 23.650 -5.822 1.00 25.86 C ATOM 169 OG1 THR A 11 5.108 23.085 -6.748 1.00 25.86 O ATOM 170 CG2 THR A 11 4.901 24.405 -4.699 1.00 25.86 C ATOM 171 HA THR A 11 2.568 22.956 -4.550 1.00 0.00 H ATOM 172 HB THR A 11 3.540 24.365 -6.349 1.00 0.00 H ATOM 173 HG1 THR A 11 5.681 22.429 -6.278 1.00 0.00 H ATOM 174 HG23 THR A 11 4.168 24.824 -4.010 1.00 0.00 H ATOM 175 HG21 THR A 11 5.553 23.715 -4.163 1.00 0.00 H ATOM 176 HG22 THR A 11 5.497 25.209 -5.131 1.00 0.00 H ATOM 177 H THR A 11 4.910 21.126 -4.887 1.00 0.00 H ATOM 178 N ASN A 12 2.992 20.616 -6.716 1.00 25.86 N ATOM 179 CA ASN A 12 2.366 19.881 -7.823 1.00 25.86 C ATOM 180 C ASN A 12 2.868 18.441 -7.966 1.00 25.86 C ATOM 181 O ASN A 12 4.037 18.163 -7.764 1.00 25.86 O ATOM 182 CB ASN A 12 2.608 20.640 -9.140 1.00 25.86 C ATOM 183 CG ASN A 12 1.859 20.033 -10.315 1.00 25.86 C ATOM 184 OD1 ASN A 12 0.634 20.058 -10.358 1.00 25.86 O ATOM 185 ND2 ASN A 12 2.594 19.484 -11.267 1.00 25.86 N ATOM 186 HA ASN A 12 1.302 19.819 -7.595 1.00 0.00 H ATOM 187 HB2 ASN A 12 2.280 21.672 -9.013 1.00 0.00 H ATOM 188 HB3 ASN A 12 3.675 20.624 -9.361 1.00 0.00 H ATOM 189 HD22 ASN A 12 3.631 19.485 -11.189 1.00 0.00 H ATOM 190 HD21 ASN A 12 2.135 19.051 -12.094 1.00 0.00 H ATOM 191 H ASN A 12 3.762 20.173 -6.176 1.00 0.00 H ATOM 192 N SER A 13 1.977 17.519 -8.305 1.00 25.86 N ATOM 193 CA SER A 13 2.384 16.133 -8.508 1.00 25.86 C ATOM 194 C SER A 13 1.561 15.526 -9.632 1.00 25.86 C ATOM 195 O SER A 13 0.372 15.824 -9.775 1.00 25.86 O ATOM 196 CB SER A 13 2.210 15.303 -7.230 1.00 25.86 C ATOM 197 OG SER A 13 0.852 15.140 -6.888 1.00 25.86 O ATOM 198 HA SER A 13 3.442 16.122 -8.772 1.00 0.00 H ATOM 199 HB2 SER A 13 2.722 15.807 -6.410 1.00 0.00 H ATOM 200 HB3 SER A 13 2.655 14.320 -7.385 1.00 0.00 H ATOM 201 HG SER A 13 0.784 14.601 -6.061 1.00 0.00 H ATOM 202 H SER A 13 0.979 17.786 -8.427 1.00 0.00 H ATOM 203 N GLN A 14 2.202 14.683 -10.431 1.00 25.86 N ATOM 204 CA GLN A 14 1.540 14.037 -11.550 1.00 25.86 C ATOM 205 C GLN A 14 1.667 12.518 -11.509 1.00 25.86 C ATOM 206 O GLN A 14 2.748 11.976 -11.255 1.00 25.86 O ATOM 207 CB GLN A 14 2.098 14.564 -12.875 1.00 25.86 C ATOM 208 CG GLN A 14 1.183 15.593 -13.549 1.00 25.86 C ATOM 209 CD GLN A 14 1.711 16.110 -14.890 1.00 25.86 C ATOM 210 OE1 GLN A 14 0.996 16.814 -15.627 1.00 25.86 O ATOM 211 NE2 GLN A 14 2.961 15.772 -15.209 1.00 25.86 N ATOM 212 HA GLN A 14 0.480 14.280 -11.471 1.00 0.00 H ATOM 213 HB2 GLN A 14 3.064 15.032 -12.683 1.00 0.00 H ATOM 214 HB3 GLN A 14 2.232 13.722 -13.554 1.00 0.00 H ATOM 215 HG2 GLN A 14 0.211 15.129 -13.718 1.00 0.00 H ATOM 216 HG3 GLN A 14 1.067 16.442 -12.876 1.00 0.00 H ATOM 217 HE22 GLN A 14 3.521 15.182 -14.562 1.00 0.00 H ATOM 218 HE21 GLN A 14 3.375 16.099 -16.105 1.00 0.00 H ATOM 219 H GLN A 14 3.206 14.479 -10.251 1.00 0.00 H ATOM 220 N ASN A 15 0.535 11.850 -11.729 1.00 25.86 N ATOM 221 CA ASN A 15 0.463 10.401 -11.766 1.00 25.86 C ATOM 222 C ASN A 15 0.790 9.708 -10.445 1.00 25.86 C ATOM 223 O ASN A 15 1.119 8.523 -10.429 1.00 25.86 O ATOM 224 CB ASN A 15 1.405 9.885 -12.846 1.00 25.86 C ATOM 225 CG ASN A 15 1.138 8.460 -13.202 1.00 25.86 C ATOM 226 OD1 ASN A 15 2.046 7.727 -13.596 1.00 25.86 O ATOM 227 ND2 ASN A 15 -0.121 8.047 -13.078 1.00 25.86 N ATOM 228 HA ASN A 15 -0.578 10.158 -11.980 1.00 0.00 H ATOM 229 HB2 ASN A 15 1.283 10.498 -13.739 1.00 0.00 H ATOM 230 HB3 ASN A 15 2.430 9.970 -12.486 1.00 0.00 H ATOM 231 HD22 ASN A 15 -0.853 8.704 -12.741 1.00 0.00 H ATOM 232 HD21 ASN A 15 -0.373 7.067 -13.318 1.00 0.00 H ATOM 233 H ASN A 15 -0.339 12.393 -11.881 1.00 0.00 H ATOM 234 N PHE A 16 0.703 10.430 -9.337 1.00 25.86 N ATOM 235 CA PHE A 16 1.014 9.828 -8.043 1.00 25.86 C ATOM 236 C PHE A 16 0.031 8.722 -7.609 1.00 25.86 C ATOM 237 O PHE A 16 0.401 7.802 -6.879 1.00 25.86 O ATOM 238 CB PHE A 16 1.093 10.914 -6.968 1.00 25.86 C ATOM 239 CG PHE A 16 1.635 10.428 -5.656 1.00 25.86 C ATOM 240 CD1 PHE A 16 2.814 9.690 -5.610 1.00 25.86 C ATOM 241 CD2 PHE A 16 0.981 10.722 -4.468 1.00 25.86 C ATOM 242 CE1 PHE A 16 3.337 9.251 -4.396 1.00 25.86 C ATOM 243 CE2 PHE A 16 1.491 10.291 -3.246 1.00 25.86 C ATOM 244 CZ PHE A 16 2.676 9.551 -3.209 1.00 25.86 C ATOM 245 HA PHE A 16 1.981 9.338 -8.162 1.00 0.00 H ATOM 246 HB2 PHE A 16 1.739 11.713 -7.333 1.00 0.00 H ATOM 247 HB3 PHE A 16 0.090 11.307 -6.802 1.00 0.00 H ATOM 248 HD2 PHE A 16 0.056 11.298 -4.492 1.00 0.00 H ATOM 249 HE2 PHE A 16 0.967 10.530 -2.321 1.00 0.00 H ATOM 250 HZ PHE A 16 3.080 9.211 -2.256 1.00 0.00 H ATOM 251 HE1 PHE A 16 4.262 8.674 -4.376 1.00 0.00 H ATOM 252 HD1 PHE A 16 3.336 9.452 -6.537 1.00 0.00 H ATOM 253 H PHE A 16 0.413 11.427 -9.389 1.00 0.00 H ATOM 254 N ASP A 17 -1.215 8.809 -8.058 1.00 25.86 N ATOM 255 CA ASP A 17 -2.225 7.810 -7.714 1.00 25.86 C ATOM 256 C ASP A 17 -1.904 6.440 -8.306 1.00 25.86 C ATOM 257 O ASP A 17 -2.101 5.417 -7.651 1.00 25.86 O ATOM 258 CB ASP A 17 -3.608 8.247 -8.208 1.00 25.86 C ATOM 259 CG ASP A 17 -4.715 7.301 -7.760 1.00 25.86 C ATOM 260 OD1 ASP A 17 -5.537 6.892 -8.616 1.00 25.86 O ATOM 261 OD2 ASP A 17 -4.767 6.973 -6.552 1.00 25.86 O ATOM 262 HA ASP A 17 -2.223 7.728 -6.627 1.00 0.00 H ATOM 263 HB2 ASP A 17 -3.820 9.243 -7.818 1.00 0.00 H ATOM 264 HB3 ASP A 17 -3.596 8.280 -9.297 1.00 0.00 H ATOM 265 H ASP A 17 -1.479 9.608 -8.670 1.00 0.00 H ATOM 266 N GLU A 18 -1.422 6.414 -9.545 1.00 25.86 N ATOM 267 CA GLU A 18 -1.098 5.150 -10.186 1.00 25.86 C ATOM 268 C GLU A 18 0.164 4.535 -9.582 1.00 25.86 C ATOM 269 O GLU A 18 0.258 3.314 -9.411 1.00 25.86 O ATOM 270 CB GLU A 18 -0.899 5.339 -11.682 1.00 25.86 C ATOM 271 CG GLU A 18 -1.277 4.090 -12.480 1.00 25.86 C ATOM 272 CD GLU A 18 -2.758 3.742 -12.321 1.00 25.86 C ATOM 273 OE1 GLU A 18 -3.577 4.688 -12.318 1.00 25.86 O ATOM 274 OE2 GLU A 18 -3.106 2.539 -12.208 1.00 25.86 O ATOM 275 HA GLU A 18 -1.937 4.474 -10.017 1.00 0.00 H ATOM 276 HB2 GLU A 18 -1.520 6.170 -12.016 1.00 0.00 H ATOM 277 HB3 GLU A 18 0.149 5.572 -11.870 1.00 0.00 H ATOM 278 HG2 GLU A 18 -1.067 4.268 -13.535 1.00 0.00 H ATOM 279 HG3 GLU A 18 -0.677 3.251 -12.128 1.00 0.00 H ATOM 280 H GLU A 18 -1.276 7.306 -10.060 1.00 0.00 H ATOM 281 N TYR A 19 1.143 5.383 -9.280 1.00 25.86 N ATOM 282 CA TYR A 19 2.373 4.911 -8.669 1.00 25.86 C ATOM 283 C TYR A 19 1.997 4.189 -7.376 1.00 25.86 C ATOM 284 O TYR A 19 2.478 3.096 -7.117 1.00 25.86 O ATOM 285 CB TYR A 19 3.316 6.094 -8.389 1.00 25.86 C ATOM 286 CG TYR A 19 4.520 5.752 -7.536 1.00 25.86 C ATOM 287 CD1 TYR A 19 4.515 5.999 -6.162 1.00 25.86 C ATOM 288 CD2 TYR A 19 5.650 5.159 -8.094 1.00 25.86 C ATOM 289 CE1 TYR A 19 5.597 5.664 -5.370 1.00 25.86 C ATOM 290 CE2 TYR A 19 6.740 4.816 -7.309 1.00 25.86 C ATOM 291 CZ TYR A 19 6.707 5.069 -5.947 1.00 25.86 C ATOM 292 OH TYR A 19 7.770 4.705 -5.156 1.00 25.86 O ATOM 293 HA TYR A 19 2.900 4.229 -9.336 1.00 0.00 H ATOM 294 HB3 TYR A 19 2.746 6.870 -7.878 1.00 0.00 H ATOM 295 HB2 TYR A 19 3.674 6.478 -9.344 1.00 0.00 H ATOM 296 HD2 TYR A 19 5.678 4.961 -9.166 1.00 0.00 H ATOM 297 HE2 TYR A 19 7.617 4.351 -7.760 1.00 0.00 H ATOM 298 HE1 TYR A 19 5.577 5.866 -4.299 1.00 0.00 H ATOM 299 HD1 TYR A 19 3.642 6.465 -5.705 1.00 0.00 H ATOM 300 HH TYR A 19 7.904 3.726 -5.216 1.00 0.00 H ATOM 301 H TYR A 19 1.026 6.396 -9.484 1.00 0.00 H ATOM 302 N MET A 20 1.107 4.785 -6.590 1.00 25.86 N ATOM 303 CA MET A 20 0.681 4.189 -5.320 1.00 25.86 C ATOM 304 C MET A 20 -0.054 2.874 -5.503 1.00 25.86 C ATOM 305 O MET A 20 0.061 1.966 -4.681 1.00 25.86 O ATOM 306 CB MET A 20 -0.228 5.146 -4.548 1.00 25.86 C ATOM 307 CG MET A 20 0.462 6.360 -3.984 1.00 25.86 C ATOM 308 SD MET A 20 -0.624 7.250 -2.862 1.00 25.86 S ATOM 309 CE MET A 20 -1.725 8.093 -4.043 1.00 25.86 C ATOM 310 HA MET A 20 1.596 3.996 -4.760 1.00 0.00 H ATOM 311 HB2 MET A 20 -1.014 5.486 -5.223 1.00 0.00 H ATOM 312 HB3 MET A 20 -0.675 4.595 -3.720 1.00 0.00 H ATOM 313 HG2 MET A 20 0.749 7.020 -4.802 1.00 0.00 H ATOM 314 HG3 MET A 20 1.354 6.045 -3.443 1.00 0.00 H ATOM 315 HE1 MET A 20 -1.134 8.745 -4.687 1.00 0.00 H ATOM 316 HE2 MET A 20 -2.241 7.350 -4.651 1.00 0.00 H ATOM 317 HE3 MET A 20 -2.457 8.687 -3.495 1.00 0.00 H ATOM 318 H MET A 20 0.702 5.697 -6.883 1.00 0.00 H ATOM 319 N LYS A 21 -0.836 2.799 -6.574 1.00 25.86 N ATOM 320 CA LYS A 21 -1.598 1.598 -6.911 1.00 25.86 C ATOM 321 C LYS A 21 -0.646 0.432 -7.157 1.00 25.86 C ATOM 322 O LYS A 21 -0.893 -0.698 -6.719 1.00 25.86 O ATOM 323 CB LYS A 21 -2.421 1.852 -8.172 1.00 25.86 C ATOM 324 CG LYS A 21 -3.846 2.247 -7.909 1.00 25.86 C ATOM 325 CD LYS A 21 -4.770 1.030 -7.910 1.00 25.86 C ATOM 326 CE LYS A 21 -4.482 0.071 -6.756 1.00 25.86 C ATOM 327 NZ LYS A 21 -5.445 -1.079 -6.746 1.00 25.86 N ATOM 328 HA LYS A 21 -2.262 1.353 -6.082 1.00 0.00 H ATOM 329 HB2 LYS A 21 -1.943 2.652 -8.737 1.00 0.00 H ATOM 330 HB3 LYS A 21 -2.424 0.940 -8.768 1.00 0.00 H ATOM 331 HG2 LYS A 21 -3.905 2.737 -6.937 1.00 0.00 H ATOM 332 HG3 LYS A 21 -4.171 2.940 -8.685 1.00 0.00 H ATOM 333 HD2 LYS A 21 -5.801 1.374 -7.829 1.00 0.00 H ATOM 334 HD3 LYS A 21 -4.640 0.494 -8.850 1.00 0.00 H ATOM 335 HE2 LYS A 21 -4.567 0.613 -5.814 1.00 0.00 H ATOM 336 HE3 LYS A 21 -3.468 -0.316 -6.861 1.00 0.00 H ATOM 337 HZ1 LYS A 21 -6.414 -0.717 -6.641 1.00 0.00 H ATOM 338 HZ2 LYS A 21 -5.365 -1.604 -7.640 1.00 0.00 H ATOM 339 HZ3 LYS A 21 -5.221 -1.710 -5.950 1.00 0.00 H ATOM 340 H LYS A 21 -0.909 3.628 -7.198 1.00 0.00 H ATOM 341 N ALA A 22 0.444 0.729 -7.858 1.00 25.86 N ATOM 342 CA ALA A 22 1.468 -0.252 -8.183 1.00 25.86 C ATOM 343 C ALA A 22 2.160 -0.748 -6.919 1.00 25.86 C ATOM 344 O ALA A 22 2.410 -1.945 -6.759 1.00 25.86 O ATOM 345 CB ALA A 22 2.493 0.369 -9.124 1.00 25.86 C ATOM 346 HA ALA A 22 0.993 -1.102 -8.672 1.00 0.00 H ATOM 347 HB1 ALA A 22 1.996 0.691 -10.039 1.00 0.00 H ATOM 348 HB2 ALA A 22 2.956 1.228 -8.639 1.00 0.00 H ATOM 349 HB3 ALA A 22 3.258 -0.369 -9.365 1.00 0.00 H ATOM 350 H ALA A 22 0.570 1.707 -8.189 1.00 0.00 H ATOM 351 N LEU A 23 2.476 0.180 -6.022 1.00 25.86 N ATOM 352 CA LEU A 23 3.146 -0.162 -4.778 1.00 25.86 C ATOM 353 C LEU A 23 2.220 -1.042 -3.945 1.00 25.86 C ATOM 354 O LEU A 23 2.619 -1.625 -2.932 1.00 25.86 O ATOM 355 CB LEU A 23 3.497 1.116 -4.011 1.00 25.86 C ATOM 356 CG LEU A 23 4.841 1.094 -3.279 1.00 25.86 C ATOM 357 CD1 LEU A 23 5.945 0.843 -4.289 1.00 25.86 C ATOM 358 CD2 LEU A 23 5.075 2.414 -2.545 1.00 25.86 C ATOM 359 HA LEU A 23 4.068 -0.704 -4.988 1.00 0.00 H ATOM 360 HB2 LEU A 23 3.515 1.941 -4.723 1.00 0.00 H ATOM 361 HB3 LEU A 23 2.714 1.291 -3.273 1.00 0.00 H ATOM 362 HG LEU A 23 4.838 0.296 -2.536 1.00 0.00 H ATOM 363 HD21 LEU A 23 5.077 3.233 -3.264 1.00 0.00 H ATOM 364 HD22 LEU A 23 4.278 2.570 -1.818 1.00 0.00 H ATOM 365 HD23 LEU A 23 6.036 2.377 -2.031 1.00 0.00 H ATOM 366 HD11 LEU A 23 5.776 -0.115 -4.780 1.00 0.00 H ATOM 367 HD12 LEU A 23 5.943 1.639 -5.033 1.00 0.00 H ATOM 368 HD13 LEU A 23 6.907 0.826 -3.777 1.00 0.00 H ATOM 369 H LEU A 23 2.238 1.174 -6.214 1.00 0.00 H ATOM 370 N GLY A 24 0.973 -1.133 -4.384 1.00 25.86 N ATOM 371 CA GLY A 24 0.004 -1.940 -3.677 1.00 25.86 C ATOM 372 C GLY A 24 -0.575 -1.265 -2.454 1.00 25.86 C ATOM 373 O GLY A 24 -1.154 -1.934 -1.605 1.00 25.86 O ATOM 374 HA3 GLY A 24 0.489 -2.864 -3.363 1.00 0.00 H ATOM 375 HA2 GLY A 24 -0.813 -2.174 -4.360 1.00 0.00 H ATOM 376 H GLY A 24 0.689 -0.620 -5.243 1.00 0.00 H ATOM 377 N VAL A 25 -0.442 0.053 -2.359 1.00 25.86 N ATOM 378 CA VAL A 25 -0.967 0.774 -1.201 1.00 25.86 C ATOM 379 C VAL A 25 -2.502 0.809 -1.176 1.00 25.86 C ATOM 380 O VAL A 25 -3.151 1.064 -2.193 1.00 25.86 O ATOM 381 CB VAL A 25 -0.420 2.230 -1.142 1.00 25.32 C ATOM 382 CG1 VAL A 25 1.095 2.232 -1.319 1.00 25.32 C ATOM 383 CG2 VAL A 25 -1.062 3.067 -2.202 1.00 25.32 C ATOM 384 HA VAL A 25 -0.624 0.222 -0.326 1.00 0.00 H ATOM 385 HB VAL A 25 -0.660 2.653 -0.167 1.00 0.00 H ATOM 386 HG11 VAL A 25 1.553 1.646 -0.523 1.00 0.00 H ATOM 387 HG12 VAL A 25 1.347 1.795 -2.285 1.00 0.00 H ATOM 388 HG13 VAL A 25 1.463 3.257 -1.275 1.00 0.00 H ATOM 389 HG21 VAL A 25 -0.842 2.642 -3.181 1.00 0.00 H ATOM 390 HG22 VAL A 25 -2.141 3.084 -2.046 1.00 0.00 H ATOM 391 HG23 VAL A 25 -0.670 4.083 -2.149 1.00 0.00 H ATOM 392 H VAL A 25 0.041 0.577 -3.116 1.00 0.00 H ATOM 393 N GLY A 26 -3.066 0.556 0.003 1.00 25.86 N ATOM 394 CA GLY A 26 -4.510 0.545 0.189 1.00 25.86 C ATOM 395 C GLY A 26 -5.298 1.804 -0.166 1.00 25.86 C ATOM 396 O GLY A 26 -4.801 2.926 -0.088 1.00 25.86 O ATOM 397 HA3 GLY A 26 -4.698 0.333 1.242 1.00 0.00 H ATOM 398 HA2 GLY A 26 -4.907 -0.267 -0.420 1.00 0.00 H ATOM 399 H GLY A 26 -2.453 0.359 0.820 1.00 0.00 H ATOM 400 N PHE A 27 -6.553 1.589 -0.547 1.00 25.86 N ATOM 401 CA PHE A 27 -7.469 2.643 -0.956 1.00 25.86 C ATOM 402 C PHE A 27 -7.588 3.775 0.051 1.00 25.86 C ATOM 403 O PHE A 27 -7.621 4.945 -0.328 1.00 25.86 O ATOM 404 CB PHE A 27 -8.841 2.029 -1.213 1.00 25.86 C ATOM 405 CG PHE A 27 -9.808 2.949 -1.891 1.00 25.86 C ATOM 406 CD1 PHE A 27 -9.383 3.814 -2.892 1.00 25.86 C ATOM 407 CD2 PHE A 27 -11.158 2.911 -1.564 1.00 25.86 C ATOM 408 CE1 PHE A 27 -10.291 4.626 -3.557 1.00 25.86 C ATOM 409 CE2 PHE A 27 -12.077 3.718 -2.226 1.00 25.86 C ATOM 410 CZ PHE A 27 -11.646 4.575 -3.222 1.00 25.86 C ATOM 411 HA PHE A 27 -7.061 3.090 -1.863 1.00 0.00 H ATOM 412 HB2 PHE A 27 -8.709 1.148 -1.841 1.00 0.00 H ATOM 413 HB3 PHE A 27 -9.267 1.730 -0.255 1.00 0.00 H ATOM 414 HD2 PHE A 27 -11.502 2.239 -0.777 1.00 0.00 H ATOM 415 HE2 PHE A 27 -13.133 3.675 -1.961 1.00 0.00 H ATOM 416 HZ PHE A 27 -12.362 5.209 -3.744 1.00 0.00 H ATOM 417 HE1 PHE A 27 -9.947 5.302 -4.339 1.00 0.00 H ATOM 418 HD1 PHE A 27 -8.327 3.855 -3.157 1.00 0.00 H ATOM 419 H PHE A 27 -6.901 0.609 -0.553 1.00 0.00 H ATOM 420 N ALA A 28 -7.645 3.424 1.330 1.00 25.86 N ATOM 421 CA ALA A 28 -7.765 4.419 2.388 1.00 25.86 C ATOM 422 C ALA A 28 -6.537 5.331 2.470 1.00 25.86 C ATOM 423 O ALA A 28 -6.661 6.503 2.805 1.00 25.86 O ATOM 424 CB ALA A 28 -7.999 3.728 3.736 1.00 25.86 C ATOM 425 HA ALA A 28 -8.621 5.049 2.146 1.00 0.00 H ATOM 426 HB1 ALA A 28 -8.917 3.143 3.688 1.00 0.00 H ATOM 427 HB2 ALA A 28 -7.158 3.070 3.956 1.00 0.00 H ATOM 428 HB3 ALA A 28 -8.087 4.482 4.519 1.00 0.00 H ATOM 429 H ALA A 28 -7.603 2.416 1.583 1.00 0.00 H ATOM 430 N THR A 29 -5.362 4.798 2.153 1.00 25.86 N ATOM 431 CA THR A 29 -4.133 5.583 2.213 1.00 25.86 C ATOM 432 C THR A 29 -3.886 6.422 0.956 1.00 25.86 C ATOM 433 O THR A 29 -3.292 7.496 1.044 1.00 25.86 O ATOM 434 CB THR A 29 -2.905 4.683 2.472 1.00 25.86 C ATOM 435 OG1 THR A 29 -3.045 4.043 3.747 1.00 25.86 O ATOM 436 CG2 THR A 29 -1.626 5.504 2.453 1.00 25.86 C ATOM 437 HA THR A 29 -4.270 6.271 3.047 1.00 0.00 H ATOM 438 HB THR A 29 -2.848 3.932 1.684 1.00 0.00 H ATOM 439 HG1 THR A 29 -2.258 3.466 3.913 1.00 0.00 H ATOM 440 HG23 THR A 29 -1.522 5.990 1.483 1.00 0.00 H ATOM 441 HG21 THR A 29 -1.670 6.261 3.236 1.00 0.00 H ATOM 442 HG22 THR A 29 -0.772 4.849 2.626 1.00 0.00 H ATOM 443 H THR A 29 -5.317 3.802 1.856 1.00 0.00 H ATOM 444 N ARG A 30 -4.336 5.944 -0.205 1.00 25.86 N ATOM 445 CA ARG A 30 -4.170 6.704 -1.444 1.00 25.86 C ATOM 446 C ARG A 30 -5.055 7.952 -1.425 1.00 25.86 C ATOM 447 O ARG A 30 -4.653 9.018 -1.892 1.00 25.86 O ATOM 448 CB ARG A 30 -4.520 5.856 -2.667 1.00 25.86 C ATOM 449 CG ARG A 30 -3.454 4.871 -3.066 1.00 25.86 C ATOM 450 CD ARG A 30 -3.738 4.250 -4.431 1.00 25.86 C ATOM 451 NE ARG A 30 -4.965 3.464 -4.422 1.00 25.86 N ATOM 452 CZ ARG A 30 -5.929 3.568 -5.332 1.00 25.86 C ATOM 453 NH1 ARG A 30 -5.808 4.429 -6.333 1.00 25.86 N ATOM 454 NH2 ARG A 30 -7.025 2.822 -5.231 1.00 25.86 N ATOM 455 HA ARG A 30 -3.123 6.998 -1.512 1.00 0.00 H ATOM 456 HB2 ARG A 30 -5.432 5.301 -2.448 1.00 0.00 H ATOM 457 HB3 ARG A 30 -4.697 6.527 -3.508 1.00 0.00 H ATOM 458 HG2 ARG A 30 -2.494 5.386 -3.105 1.00 0.00 H ATOM 459 HG3 ARG A 30 -3.409 4.078 -2.320 1.00 0.00 H ATOM 460 HD2 ARG A 30 -2.905 3.602 -4.705 1.00 0.00 H ATOM 461 HD3 ARG A 30 -3.834 5.047 -5.169 1.00 0.00 H ATOM 462 HE ARG A 30 -5.095 2.776 -3.653 1.00 0.00 H ATOM 463 HH12 ARG A 30 -6.563 4.509 -7.044 1.00 0.00 H ATOM 464 HH11 ARG A 30 -4.958 5.024 -6.407 1.00 0.00 H ATOM 465 HH22 ARG A 30 -7.778 2.905 -5.944 1.00 0.00 H ATOM 466 HH21 ARG A 30 -7.129 2.156 -4.439 1.00 0.00 H ATOM 467 H ARG A 30 -4.811 5.019 -0.230 1.00 0.00 H ATOM 468 N GLN A 31 -6.271 7.806 -0.905 1.00 25.86 N ATOM 469 CA GLN A 31 -7.192 8.934 -0.785 1.00 25.86 C ATOM 470 C GLN A 31 -6.442 10.014 -0.009 1.00 25.86 C ATOM 471 O GLN A 31 -6.432 11.182 -0.385 1.00 25.86 O ATOM 472 CB GLN A 31 -8.447 8.515 -0.010 1.00 25.86 C ATOM 473 CG GLN A 31 -9.487 7.797 -0.843 1.00 25.86 C ATOM 474 CD GLN A 31 -10.145 8.739 -1.831 1.00 25.86 C ATOM 475 OE1 GLN A 31 -10.861 9.665 -1.441 1.00 25.86 O ATOM 476 NE2 GLN A 31 -9.892 8.523 -3.113 1.00 25.86 N ATOM 477 HA GLN A 31 -7.511 9.289 -1.765 1.00 0.00 H ATOM 478 HB2 GLN A 31 -8.142 7.852 0.800 1.00 0.00 H ATOM 479 HB3 GLN A 31 -8.905 9.412 0.408 1.00 0.00 H ATOM 480 HG2 GLN A 31 -9.006 6.986 -1.391 1.00 0.00 H ATOM 481 HG3 GLN A 31 -10.250 7.385 -0.182 1.00 0.00 H ATOM 482 HE22 GLN A 31 -9.282 7.730 -3.396 1.00 0.00 H ATOM 483 HE21 GLN A 31 -10.303 9.147 -3.836 1.00 0.00 H ATOM 484 H GLN A 31 -6.573 6.867 -0.576 1.00 0.00 H ATOM 485 N VAL A 32 -5.797 9.603 1.076 1.00 25.86 N ATOM 486 CA VAL A 32 -5.041 10.531 1.899 1.00 25.86 C ATOM 487 C VAL A 32 -3.838 11.066 1.127 1.00 25.86 C ATOM 488 O VAL A 32 -3.549 12.256 1.175 1.00 25.86 O ATOM 489 CB VAL A 32 -4.573 9.847 3.209 1.00 25.86 C ATOM 490 CG1 VAL A 32 -3.474 10.650 3.870 1.00 25.86 C ATOM 491 CG2 VAL A 32 -5.748 9.709 4.153 1.00 25.86 C ATOM 492 HA VAL A 32 -5.692 11.365 2.159 1.00 0.00 H ATOM 493 HB VAL A 32 -4.179 8.860 2.968 1.00 0.00 H ATOM 494 HG11 VAL A 32 -2.625 10.729 3.191 1.00 0.00 H ATOM 495 HG12 VAL A 32 -3.846 11.647 4.106 1.00 0.00 H ATOM 496 HG13 VAL A 32 -3.162 10.150 4.787 1.00 0.00 H ATOM 497 HG21 VAL A 32 -6.147 10.697 4.381 1.00 0.00 H ATOM 498 HG22 VAL A 32 -6.522 9.103 3.682 1.00 0.00 H ATOM 499 HG23 VAL A 32 -5.418 9.228 5.074 1.00 0.00 H ATOM 500 H VAL A 32 -5.834 8.598 1.342 1.00 0.00 H ATOM 501 N GLY A 33 -3.153 10.185 0.406 1.00 25.86 N ATOM 502 CA GLY A 33 -1.988 10.597 -0.356 1.00 25.86 C ATOM 503 C GLY A 33 -2.311 11.502 -1.530 1.00 25.86 C ATOM 504 O GLY A 33 -1.418 12.158 -2.064 1.00 25.86 O ATOM 505 HA3 GLY A 33 -1.493 9.704 -0.737 1.00 0.00 H ATOM 506 HA2 GLY A 33 -1.311 11.129 0.312 1.00 0.00 H ATOM 507 H GLY A 33 -3.455 9.190 0.387 1.00 0.00 H ATOM 508 N ASN A 34 -3.580 11.543 -1.931 1.00 25.86 N ATOM 509 CA ASN A 34 -4.008 12.373 -3.057 1.00 25.86 C ATOM 510 C ASN A 34 -4.423 13.801 -2.686 1.00 25.86 C ATOM 511 O ASN A 34 -4.255 14.715 -3.487 1.00 25.86 O ATOM 512 CB ASN A 34 -5.165 11.706 -3.815 1.00 25.86 C ATOM 513 CG ASN A 34 -4.695 10.605 -4.738 1.00 25.86 C ATOM 514 OD1 ASN A 34 -3.720 10.776 -5.464 1.00 25.86 O ATOM 515 ND2 ASN A 34 -5.391 9.474 -4.727 1.00 25.86 N ATOM 516 HA ASN A 34 -3.121 12.458 -3.685 1.00 0.00 H ATOM 517 HB2 ASN A 34 -5.860 11.282 -3.090 1.00 0.00 H ATOM 518 HB3 ASN A 34 -5.678 12.464 -4.407 1.00 0.00 H ATOM 519 HD22 ASN A 34 -6.211 9.374 -4.095 1.00 0.00 H ATOM 520 HD21 ASN A 34 -5.116 8.688 -5.351 1.00 0.00 H ATOM 521 H ASN A 34 -4.287 10.969 -1.429 1.00 0.00 H ATOM 522 N VAL A 35 -4.960 13.984 -1.484 1.00 25.86 N ATOM 523 CA VAL A 35 -5.400 15.300 -1.039 1.00 25.86 C ATOM 524 C VAL A 35 -4.446 16.022 -0.071 1.00 25.86 C ATOM 525 O VAL A 35 -4.722 17.145 0.361 1.00 25.86 O ATOM 526 CB VAL A 35 -6.798 15.219 -0.372 1.00 25.86 C ATOM 527 CG1 VAL A 35 -7.832 14.718 -1.379 1.00 25.86 C ATOM 528 CG2 VAL A 35 -6.757 14.293 0.829 1.00 25.86 C ATOM 529 HA VAL A 35 -5.425 15.891 -1.955 1.00 0.00 H ATOM 530 HB VAL A 35 -7.081 16.217 -0.037 1.00 0.00 H ATOM 531 HG11 VAL A 35 -7.877 15.405 -2.224 1.00 0.00 H ATOM 532 HG12 VAL A 35 -7.545 13.727 -1.730 1.00 0.00 H ATOM 533 HG13 VAL A 35 -8.809 14.665 -0.899 1.00 0.00 H ATOM 534 HG21 VAL A 35 -6.458 13.296 0.507 1.00 0.00 H ATOM 535 HG22 VAL A 35 -6.038 14.673 1.555 1.00 0.00 H ATOM 536 HG23 VAL A 35 -7.746 14.248 1.285 1.00 0.00 H ATOM 537 H VAL A 35 -5.069 13.169 -0.847 1.00 0.00 H ATOM 538 N THR A 36 -3.327 15.396 0.271 1.00 25.86 N ATOM 539 CA THR A 36 -2.396 16.036 1.195 1.00 25.86 C ATOM 540 C THR A 36 -1.234 16.718 0.484 1.00 25.86 C ATOM 541 O THR A 36 -0.724 16.230 -0.525 1.00 25.86 O ATOM 542 CB THR A 36 -1.837 15.015 2.252 1.00 25.86 C ATOM 543 OG1 THR A 36 -0.773 15.622 3.001 1.00 25.86 O ATOM 544 CG2 THR A 36 -1.288 13.777 1.575 1.00 25.86 C ATOM 545 HA THR A 36 -2.973 16.805 1.709 1.00 0.00 H ATOM 546 HB THR A 36 -2.660 14.735 2.910 1.00 0.00 H ATOM 547 HG1 THR A 36 -1.116 16.424 3.470 1.00 0.00 H ATOM 548 HG23 THR A 36 -2.080 13.298 0.999 1.00 0.00 H ATOM 549 HG21 THR A 36 -0.473 14.060 0.909 1.00 0.00 H ATOM 550 HG22 THR A 36 -0.918 13.085 2.331 1.00 0.00 H ATOM 551 H THR A 36 -3.115 14.455 -0.117 1.00 0.00 H ATOM 552 N LYS A 37 -0.853 17.882 0.992 1.00 25.86 N ATOM 553 CA LYS A 37 0.284 18.612 0.453 1.00 25.86 C ATOM 554 C LYS A 37 1.279 18.655 1.606 1.00 25.86 C ATOM 555 O LYS A 37 1.210 19.518 2.483 1.00 25.86 O ATOM 556 CB LYS A 37 -0.110 20.026 0.026 1.00 25.86 C ATOM 557 CG LYS A 37 -0.795 20.098 -1.332 1.00 25.86 C ATOM 558 CD LYS A 37 -1.062 21.546 -1.701 1.00 25.86 C ATOM 559 CE LYS A 37 -1.847 21.679 -3.004 1.00 25.86 C ATOM 560 NZ LYS A 37 -2.208 23.110 -3.259 1.00 25.86 N ATOM 561 HA LYS A 37 0.691 18.137 -0.440 1.00 0.00 H ATOM 562 HB2 LYS A 37 -0.790 20.433 0.775 1.00 0.00 H ATOM 563 HB3 LYS A 37 0.793 20.636 -0.013 1.00 0.00 H ATOM 564 HG2 LYS A 37 -0.151 19.646 -2.086 1.00 0.00 H ATOM 565 HG3 LYS A 37 -1.740 19.556 -1.290 1.00 0.00 H ATOM 566 HD2 LYS A 37 -1.633 22.013 -0.898 1.00 0.00 H ATOM 567 HD3 LYS A 37 -0.108 22.061 -1.813 1.00 0.00 H ATOM 568 HE2 LYS A 37 -2.759 21.086 -2.935 1.00 0.00 H ATOM 569 HE3 LYS A 37 -1.237 21.311 -3.829 1.00 0.00 H ATOM 570 HZ1 LYS A 37 -2.793 23.464 -2.475 1.00 0.00 H ATOM 571 HZ2 LYS A 37 -1.340 23.678 -3.329 1.00 0.00 H ATOM 572 HZ3 LYS A 37 -2.741 23.178 -4.149 1.00 0.00 H ATOM 573 H LYS A 37 -1.379 18.282 1.795 1.00 0.00 H ATOM 574 N PRO A 38 2.210 17.693 1.628 1.00 25.86 N ATOM 575 CA PRO A 38 3.224 17.597 2.675 1.00 25.86 C ATOM 576 C PRO A 38 4.309 18.655 2.625 1.00 25.86 C ATOM 577 O PRO A 38 4.580 19.255 1.578 1.00 25.86 O ATOM 578 CB PRO A 38 3.792 16.197 2.467 1.00 25.86 C ATOM 579 CG PRO A 38 3.743 16.048 0.987 1.00 25.86 C ATOM 580 CD PRO A 38 2.362 16.597 0.648 1.00 25.86 C ATOM 581 HA PRO A 38 2.787 17.768 3.659 1.00 0.00 H ATOM 582 HD3 PRO A 38 2.326 16.973 -0.374 1.00 0.00 H ATOM 583 HD2 PRO A 38 1.591 15.838 0.781 1.00 0.00 H ATOM 584 HG3 PRO A 38 3.835 15.003 0.692 1.00 0.00 H ATOM 585 HG2 PRO A 38 4.528 16.631 0.506 1.00 0.00 H ATOM 586 HB2 PRO A 38 4.815 16.127 2.837 1.00 0.00 H ATOM 587 HB3 PRO A 38 3.177 15.444 2.960 1.00 0.00 H ATOM 588 N THR A 39 4.917 18.886 3.779 1.00 25.86 N ATOM 589 CA THR A 39 6.018 19.823 3.885 1.00 25.86 C ATOM 590 C THR A 39 7.210 18.899 4.137 1.00 25.86 C ATOM 591 O THR A 39 7.218 18.140 5.107 1.00 25.86 O ATOM 592 CB THR A 39 5.818 20.800 5.068 1.00 25.86 C ATOM 593 OG1 THR A 39 4.629 21.577 4.855 1.00 25.86 O ATOM 594 CG2 THR A 39 7.020 21.739 5.200 1.00 25.86 C ATOM 595 HA THR A 39 6.130 20.458 3.006 1.00 0.00 H ATOM 596 HB THR A 39 5.722 20.220 5.986 1.00 0.00 H ATOM 597 HG1 THR A 39 4.504 22.201 5.613 1.00 0.00 H ATOM 598 HG23 THR A 39 7.923 21.151 5.362 1.00 0.00 H ATOM 599 HG21 THR A 39 7.125 22.324 4.286 1.00 0.00 H ATOM 600 HG22 THR A 39 6.865 22.409 6.046 1.00 0.00 H ATOM 601 H THR A 39 4.596 18.382 4.631 1.00 0.00 H ATOM 602 N VAL A 40 8.186 18.930 3.233 1.00 25.86 N ATOM 603 CA VAL A 40 9.380 18.094 3.330 1.00 25.86 C ATOM 604 C VAL A 40 10.574 18.911 3.824 1.00 25.86 C ATOM 605 O VAL A 40 11.026 19.840 3.158 1.00 25.86 O ATOM 606 CB VAL A 40 9.724 17.456 1.955 1.00 25.86 C ATOM 607 CG1 VAL A 40 10.951 16.574 2.055 1.00 25.86 C ATOM 608 CG2 VAL A 40 8.549 16.644 1.468 1.00 25.86 C ATOM 609 HA VAL A 40 9.169 17.300 4.046 1.00 0.00 H ATOM 610 HB VAL A 40 9.938 18.257 1.247 1.00 0.00 H ATOM 611 HG11 VAL A 40 11.801 17.172 2.385 1.00 0.00 H ATOM 612 HG12 VAL A 40 10.766 15.776 2.774 1.00 0.00 H ATOM 613 HG13 VAL A 40 11.167 16.142 1.078 1.00 0.00 H ATOM 614 HG21 VAL A 40 8.329 15.857 2.189 1.00 0.00 H ATOM 615 HG22 VAL A 40 7.680 17.293 1.360 1.00 0.00 H ATOM 616 HG23 VAL A 40 8.792 16.198 0.504 1.00 0.00 H ATOM 617 H VAL A 40 8.095 19.577 2.423 1.00 0.00 H ATOM 618 N ILE A 41 11.070 18.558 5.007 1.00 25.86 N ATOM 619 CA ILE A 41 12.214 19.248 5.592 1.00 25.86 C ATOM 620 C ILE A 41 13.452 18.378 5.460 1.00 25.86 C ATOM 621 O ILE A 41 13.505 17.274 5.985 1.00 25.86 O ATOM 622 CB ILE A 41 11.980 19.556 7.086 1.00 25.86 C ATOM 623 CG1 ILE A 41 10.673 20.335 7.258 1.00 25.86 C ATOM 624 CG2 ILE A 41 13.145 20.369 7.635 1.00 25.86 C ATOM 625 CD1 ILE A 41 10.222 20.465 8.680 1.00 25.86 C ATOM 626 HA ILE A 41 12.348 20.189 5.058 1.00 0.00 H ATOM 627 HB ILE A 41 11.910 18.618 7.637 1.00 0.00 H ATOM 628 HG12 ILE A 41 10.814 21.336 6.850 1.00 0.00 H ATOM 629 HG13 ILE A 41 9.892 19.822 6.696 1.00 0.00 H ATOM 630 HD11 ILE A 41 10.063 19.472 9.102 1.00 0.00 H ATOM 631 HD12 ILE A 41 10.986 20.987 9.256 1.00 0.00 H ATOM 632 HD13 ILE A 41 9.290 21.029 8.714 1.00 0.00 H ATOM 633 HG21 ILE A 41 14.068 19.800 7.524 1.00 0.00 H ATOM 634 HG22 ILE A 41 13.226 21.305 7.082 1.00 0.00 H ATOM 635 HG23 ILE A 41 12.972 20.582 8.690 1.00 0.00 H ATOM 636 H ILE A 41 10.631 17.771 5.527 1.00 0.00 H ATOM 637 N ILE A 42 14.445 18.877 4.742 1.00 25.86 N ATOM 638 CA ILE A 42 15.679 18.140 4.562 1.00 25.86 C ATOM 639 C ILE A 42 16.767 18.974 5.217 1.00 25.86 C ATOM 640 O ILE A 42 16.857 20.175 4.993 1.00 25.86 O ATOM 641 CB ILE A 42 15.997 17.934 3.073 1.00 25.86 C ATOM 642 CG1 ILE A 42 14.796 17.273 2.373 1.00 25.86 C ATOM 643 CG2 ILE A 42 17.245 17.071 2.925 1.00 25.86 C ATOM 644 CD1 ILE A 42 14.957 17.128 0.867 1.00 25.86 C ATOM 645 HA ILE A 42 15.603 17.148 5.006 1.00 0.00 H ATOM 646 HB ILE A 42 16.186 18.900 2.605 1.00 0.00 H ATOM 647 HG12 ILE A 42 14.655 16.280 2.800 1.00 0.00 H ATOM 648 HG13 ILE A 42 13.911 17.879 2.566 1.00 0.00 H ATOM 649 HD11 ILE A 42 15.087 18.114 0.420 1.00 0.00 H ATOM 650 HD12 ILE A 42 15.831 16.513 0.654 1.00 0.00 H ATOM 651 HD13 ILE A 42 14.068 16.654 0.452 1.00 0.00 H ATOM 652 HG21 ILE A 42 18.087 17.566 3.408 1.00 0.00 H ATOM 653 HG22 ILE A 42 17.073 16.102 3.394 1.00 0.00 H ATOM 654 HG23 ILE A 42 17.464 16.930 1.867 1.00 0.00 H ATOM 655 H ILE A 42 14.338 19.812 4.300 1.00 0.00 H ATOM 656 N SER A 43 17.590 18.321 6.030 1.00 25.86 N ATOM 657 CA SER A 43 18.647 19.001 6.758 1.00 25.86 C ATOM 658 C SER A 43 19.761 18.037 7.152 1.00 25.86 C ATOM 659 O SER A 43 19.578 16.817 7.110 1.00 25.86 O ATOM 660 CB SER A 43 18.065 19.602 8.033 1.00 25.86 C ATOM 661 OG SER A 43 17.527 18.577 8.858 1.00 25.86 O ATOM 662 HA SER A 43 19.061 19.773 6.109 1.00 0.00 H ATOM 663 HB2 SER A 43 17.275 20.306 7.772 1.00 0.00 H ATOM 664 HB3 SER A 43 18.852 20.126 8.576 1.00 0.00 H ATOM 665 HG SER A 43 17.153 18.980 9.681 1.00 0.00 H ATOM 666 H SER A 43 17.474 17.294 6.149 1.00 0.00 H ATOM 667 N GLN A 44 20.910 18.598 7.524 1.00 25.86 N ATOM 668 CA GLN A 44 22.049 17.816 7.991 1.00 25.86 C ATOM 669 C GLN A 44 22.102 18.080 9.493 1.00 25.86 C ATOM 670 O GLN A 44 22.256 19.224 9.923 1.00 25.86 O ATOM 671 CB GLN A 44 23.356 18.296 7.363 1.00 25.86 C ATOM 672 CG GLN A 44 23.365 18.370 5.853 1.00 25.86 C ATOM 673 CD GLN A 44 24.774 18.516 5.323 1.00 25.86 C ATOM 674 OE1 GLN A 44 25.081 19.450 4.573 1.00 25.86 O ATOM 675 NE2 GLN A 44 25.650 17.586 5.717 1.00 25.86 N ATOM 676 HA GLN A 44 21.936 16.763 7.731 1.00 0.00 H ATOM 677 HB2 GLN A 44 23.568 19.293 7.749 1.00 0.00 H ATOM 678 HB3 GLN A 44 24.147 17.612 7.671 1.00 0.00 H ATOM 679 HG2 GLN A 44 22.925 17.458 5.449 1.00 0.00 H ATOM 680 HG3 GLN A 44 22.774 19.229 5.535 1.00 0.00 H ATOM 681 HE22 GLN A 44 25.345 16.819 6.349 1.00 0.00 H ATOM 682 HE21 GLN A 44 26.637 17.630 5.391 1.00 0.00 H ATOM 683 H GLN A 44 20.998 19.633 7.480 1.00 0.00 H ATOM 684 N GLU A 45 21.961 17.034 10.294 1.00 25.86 N ATOM 685 CA GLU A 45 21.989 17.217 11.732 1.00 25.86 C ATOM 686 C GLU A 45 23.104 16.373 12.313 1.00 25.86 C ATOM 687 O GLU A 45 22.930 15.201 12.639 1.00 25.86 O ATOM 688 CB GLU A 45 20.620 16.866 12.326 1.00 25.86 C ATOM 689 CG GLU A 45 19.499 17.660 11.654 1.00 25.86 C ATOM 690 CD GLU A 45 18.155 17.533 12.346 1.00 25.86 C ATOM 691 OE1 GLU A 45 17.199 18.194 11.890 1.00 25.86 O ATOM 692 OE2 GLU A 45 18.046 16.789 13.339 1.00 25.86 O ATOM 693 HA GLU A 45 22.190 18.258 11.984 1.00 0.00 H ATOM 694 HB2 GLU A 45 20.434 15.801 12.185 1.00 0.00 H ATOM 695 HB3 GLU A 45 20.627 17.094 13.392 1.00 0.00 H ATOM 696 HG2 GLU A 45 19.782 18.713 11.644 1.00 0.00 H ATOM 697 HG3 GLU A 45 19.393 17.304 10.629 1.00 0.00 H ATOM 698 H GLU A 45 21.831 16.084 9.892 1.00 0.00 H ATOM 699 N GLY A 46 24.266 17.002 12.420 1.00 25.86 N ATOM 700 CA GLY A 46 25.431 16.322 12.932 1.00 25.86 C ATOM 701 C GLY A 46 26.019 15.483 11.819 1.00 25.86 C ATOM 702 O GLY A 46 26.295 15.979 10.725 1.00 25.86 O ATOM 703 HA3 GLY A 46 25.147 15.681 13.766 1.00 0.00 H ATOM 704 HA2 GLY A 46 26.166 17.053 13.271 1.00 0.00 H ATOM 705 H GLY A 46 24.339 17.998 12.131 1.00 0.00 H ATOM 706 N ASP A 47 26.180 14.200 12.108 1.00 25.86 N ATOM 707 CA ASP A 47 26.745 13.222 11.191 1.00 25.86 C ATOM 708 C ASP A 47 25.803 12.802 10.058 1.00 25.86 C ATOM 709 O ASP A 47 26.243 12.390 8.978 1.00 25.86 O ATOM 710 CB ASP A 47 27.128 11.967 11.988 1.00 25.86 C ATOM 711 CG ASP A 47 28.623 11.744 12.038 1.00 25.86 C ATOM 712 OD1 ASP A 47 29.056 10.699 12.590 1.00 25.86 O ATOM 713 OD2 ASP A 47 29.365 12.617 11.521 1.00 25.86 O ATOM 714 HA ASP A 47 27.605 13.701 10.723 1.00 0.00 H ATOM 715 HB2 ASP A 47 26.756 12.073 13.007 1.00 0.00 H ATOM 716 HB3 ASP A 47 26.661 11.100 11.521 1.00 0.00 H ATOM 717 H ASP A 47 25.884 13.871 13.049 1.00 0.00 H ATOM 718 N LYS A 48 24.506 12.906 10.314 1.00 25.86 N ATOM 719 CA LYS A 48 23.528 12.464 9.343 1.00 25.86 C ATOM 720 C LYS A 48 22.701 13.482 8.604 1.00 25.86 C ATOM 721 O LYS A 48 22.788 14.682 8.837 1.00 25.86 O ATOM 722 CB LYS A 48 22.593 11.472 10.008 1.00 25.86 C ATOM 723 CG LYS A 48 22.309 11.789 11.450 1.00 25.86 C ATOM 724 CD LYS A 48 22.330 10.501 12.249 1.00 25.86 C ATOM 725 CE LYS A 48 23.661 9.769 12.053 1.00 25.86 C ATOM 726 NZ LYS A 48 23.712 8.468 12.785 1.00 25.86 N ATOM 727 HA LYS A 48 24.153 12.046 8.554 1.00 0.00 H ATOM 728 HB2 LYS A 48 21.649 11.468 9.463 1.00 0.00 H ATOM 729 HB3 LYS A 48 23.046 10.482 9.955 1.00 0.00 H ATOM 730 HG2 LYS A 48 23.070 12.470 11.832 1.00 0.00 H ATOM 731 HG3 LYS A 48 21.328 12.257 11.536 1.00 0.00 H ATOM 732 HD2 LYS A 48 22.200 10.732 13.306 1.00 0.00 H ATOM 733 HD3 LYS A 48 21.515 9.859 11.916 1.00 0.00 H ATOM 734 HE2 LYS A 48 24.467 10.406 12.416 1.00 0.00 H ATOM 735 HE3 LYS A 48 23.802 9.578 10.989 1.00 0.00 H ATOM 736 HZ1 LYS A 48 23.587 8.639 13.803 1.00 0.00 H ATOM 737 HZ2 LYS A 48 22.951 7.848 12.441 1.00 0.00 H ATOM 738 HZ3 LYS A 48 24.633 8.014 12.619 1.00 0.00 H ATOM 739 H LYS A 48 24.189 13.308 11.219 1.00 0.00 H ATOM 740 N VAL A 49 21.903 12.948 7.685 1.00 25.86 N ATOM 741 CA VAL A 49 20.995 13.713 6.860 1.00 25.86 C ATOM 742 C VAL A 49 19.595 13.265 7.264 1.00 25.86 C ATOM 743 O VAL A 49 19.275 12.070 7.243 1.00 25.86 O ATOM 744 CB VAL A 49 21.240 13.429 5.384 1.00 25.86 C ATOM 745 CG1 VAL A 49 20.240 14.187 4.545 1.00 25.86 C ATOM 746 CG2 VAL A 49 22.668 13.829 5.015 1.00 25.86 C ATOM 747 HA VAL A 49 21.132 14.785 7.002 1.00 0.00 H ATOM 748 HB VAL A 49 21.115 12.363 5.191 1.00 0.00 H ATOM 749 HG11 VAL A 49 19.231 13.871 4.811 1.00 0.00 H ATOM 750 HG12 VAL A 49 20.348 15.256 4.730 1.00 0.00 H ATOM 751 HG13 VAL A 49 20.421 13.979 3.490 1.00 0.00 H ATOM 752 HG21 VAL A 49 22.807 14.893 5.208 1.00 0.00 H ATOM 753 HG22 VAL A 49 23.372 13.254 5.617 1.00 0.00 H ATOM 754 HG23 VAL A 49 22.840 13.624 3.958 1.00 0.00 H ATOM 755 H VAL A 49 21.934 11.917 7.551 1.00 0.00 H ATOM 756 N VAL A 50 18.770 14.238 7.627 1.00 25.86 N ATOM 757 CA VAL A 50 17.420 13.993 8.095 1.00 25.86 C ATOM 758 C VAL A 50 16.350 14.455 7.113 1.00 25.86 C ATOM 759 O VAL A 50 16.407 15.570 6.606 1.00 25.86 O ATOM 760 CB VAL A 50 17.194 14.719 9.461 1.00 25.86 C ATOM 761 CG1 VAL A 50 15.854 14.345 10.048 1.00 25.86 C ATOM 762 CG2 VAL A 50 18.320 14.372 10.426 1.00 25.86 C ATOM 763 HA VAL A 50 17.322 12.913 8.203 1.00 0.00 H ATOM 764 HB VAL A 50 17.198 15.796 9.291 1.00 0.00 H ATOM 765 HG11 VAL A 50 15.062 14.637 9.358 1.00 0.00 H ATOM 766 HG12 VAL A 50 15.818 13.268 10.210 1.00 0.00 H ATOM 767 HG13 VAL A 50 15.718 14.862 10.998 1.00 0.00 H ATOM 768 HG21 VAL A 50 18.337 13.295 10.590 1.00 0.00 H ATOM 769 HG22 VAL A 50 19.272 14.692 10.002 1.00 0.00 H ATOM 770 HG23 VAL A 50 18.154 14.882 11.375 1.00 0.00 H ATOM 771 H VAL A 50 19.107 15.221 7.574 1.00 0.00 H ATOM 772 N ILE A 51 15.376 13.586 6.849 1.00 25.86 N ATOM 773 CA ILE A 51 14.273 13.924 5.950 1.00 25.86 C ATOM 774 C ILE A 51 12.942 13.760 6.674 1.00 25.86 C ATOM 775 O ILE A 51 12.503 12.645 6.930 1.00 25.86 O ATOM 776 CB ILE A 51 14.253 13.037 4.674 1.00 25.86 C ATOM 777 CG1 ILE A 51 15.547 13.228 3.877 1.00 25.86 C ATOM 778 CG2 ILE A 51 13.029 13.390 3.815 1.00 25.86 C ATOM 779 CD1 ILE A 51 15.682 12.288 2.680 1.00 25.86 C ATOM 780 HA ILE A 51 14.423 14.959 5.644 1.00 0.00 H ATOM 781 HB ILE A 51 14.184 11.989 4.967 1.00 0.00 H ATOM 782 HG12 ILE A 51 15.577 14.255 3.512 1.00 0.00 H ATOM 783 HG13 ILE A 51 16.391 13.056 4.545 1.00 0.00 H ATOM 784 HD11 ILE A 51 15.666 11.255 3.027 1.00 0.00 H ATOM 785 HD12 ILE A 51 14.852 12.455 1.993 1.00 0.00 H ATOM 786 HD13 ILE A 51 16.624 12.486 2.168 1.00 0.00 H ATOM 787 HG21 ILE A 51 12.120 13.215 4.391 1.00 0.00 H ATOM 788 HG22 ILE A 51 13.081 14.439 3.525 1.00 0.00 H ATOM 789 HG23 ILE A 51 13.021 12.765 2.922 1.00 0.00 H ATOM 790 H ILE A 51 15.400 12.645 7.292 1.00 0.00 H ATOM 791 N ARG A 52 12.317 14.888 6.993 1.00 25.86 N ATOM 792 CA ARG A 52 11.040 14.920 7.685 1.00 25.86 C ATOM 793 C ARG A 52 9.906 15.315 6.738 1.00 25.86 C ATOM 794 O ARG A 52 9.996 16.307 6.017 1.00 25.86 O ATOM 795 CB ARG A 52 11.107 15.907 8.848 1.00 25.86 C ATOM 796 CG ARG A 52 11.437 15.259 10.163 1.00 25.86 C ATOM 797 CD ARG A 52 11.603 16.264 11.264 1.00 25.86 C ATOM 798 NE ARG A 52 12.875 16.955 11.121 1.00 25.86 N ATOM 799 CZ ARG A 52 13.887 16.877 11.984 1.00 25.86 C ATOM 800 NH1 ARG A 52 13.795 16.136 13.085 1.00 25.86 N ATOM 801 NH2 ARG A 52 15.004 17.531 11.726 1.00 25.86 N ATOM 802 HA ARG A 52 10.834 13.919 8.064 1.00 0.00 H ATOM 803 HB2 ARG A 52 11.873 16.650 8.627 1.00 0.00 H ATOM 804 HB3 ARG A 52 10.139 16.400 8.939 1.00 0.00 H ATOM 805 HG2 ARG A 52 10.631 14.575 10.430 1.00 0.00 H ATOM 806 HG3 ARG A 52 12.366 14.699 10.055 1.00 0.00 H ATOM 807 HD2 ARG A 52 11.576 15.753 12.226 1.00 0.00 H ATOM 808 HD3 ARG A 52 10.791 16.989 11.216 1.00 0.00 H ATOM 809 HE ARG A 52 13.004 17.555 10.282 1.00 0.00 H ATOM 810 HH12 ARG A 52 14.595 16.087 13.747 1.00 0.00 H ATOM 811 HH11 ARG A 52 12.923 15.606 13.283 1.00 0.00 H ATOM 812 HH22 ARG A 52 15.802 17.479 12.391 1.00 0.00 H ATOM 813 HH21 ARG A 52 15.086 18.098 10.858 1.00 0.00 H ATOM 814 H ARG A 52 12.763 15.791 6.735 1.00 0.00 H ATOM 815 N THR A 53 8.836 14.530 6.748 1.00 25.86 N ATOM 816 CA THR A 53 7.701 14.798 5.887 1.00 25.86 C ATOM 817 C THR A 53 6.520 15.034 6.805 1.00 25.86 C ATOM 818 O THR A 53 6.050 14.120 7.480 1.00 25.86 O ATOM 819 CB THR A 53 7.430 13.603 4.942 1.00 25.86 C ATOM 820 OG1 THR A 53 8.666 13.141 4.387 1.00 25.86 O ATOM 821 CG2 THR A 53 6.517 14.031 3.802 1.00 25.86 C ATOM 822 HA THR A 53 7.887 15.663 5.251 1.00 0.00 H ATOM 823 HB THR A 53 6.953 12.808 5.514 1.00 0.00 H ATOM 824 HG1 THR A 53 9.268 12.853 5.119 1.00 0.00 H ATOM 825 HG23 THR A 53 5.570 14.386 4.210 1.00 0.00 H ATOM 826 HG21 THR A 53 6.994 14.832 3.237 1.00 0.00 H ATOM 827 HG22 THR A 53 6.335 13.180 3.145 1.00 0.00 H ATOM 828 H THR A 53 8.811 13.708 7.385 1.00 0.00 H ATOM 829 N LEU A 54 6.051 16.273 6.842 1.00 25.86 N ATOM 830 CA LEU A 54 4.950 16.643 7.720 1.00 25.86 C ATOM 831 C LEU A 54 3.633 16.675 6.945 1.00 25.86 C ATOM 832 O LEU A 54 3.506 17.376 5.930 1.00 25.86 O ATOM 833 CB LEU A 54 5.306 17.942 8.462 1.00 25.86 C ATOM 834 CG LEU A 54 6.588 17.826 9.288 1.00 25.86 C ATOM 835 CD1 LEU A 54 7.184 19.185 9.662 1.00 25.86 C ATOM 836 CD2 LEU A 54 6.382 17.086 10.611 1.00 25.86 C ATOM 837 HA LEU A 54 4.795 15.890 8.493 1.00 0.00 H ATOM 838 HB2 LEU A 54 5.436 18.737 7.728 1.00 0.00 H ATOM 839 HB3 LEU A 54 4.484 18.197 9.130 1.00 0.00 H ATOM 840 HG LEU A 54 7.260 17.273 8.632 1.00 0.00 H ATOM 841 HD21 LEU A 54 5.646 17.619 11.213 1.00 0.00 H ATOM 842 HD22 LEU A 54 6.025 16.076 10.409 1.00 0.00 H ATOM 843 HD23 LEU A 54 7.328 17.037 11.150 1.00 0.00 H ATOM 844 HD11 LEU A 54 7.424 19.738 8.754 1.00 0.00 H ATOM 845 HD12 LEU A 54 6.460 19.748 10.251 1.00 0.00 H ATOM 846 HD13 LEU A 54 8.091 19.034 10.247 1.00 0.00 H ATOM 847 H LEU A 54 6.479 16.997 6.230 1.00 0.00 H ATOM 848 N SER A 55 2.703 15.899 7.475 1.00 25.86 N ATOM 849 CA SER A 55 1.321 15.833 6.986 1.00 25.86 C ATOM 850 C SER A 55 0.368 15.670 8.176 1.00 25.86 C ATOM 851 O SER A 55 0.768 15.210 9.256 1.00 25.86 O ATOM 852 CB SER A 55 1.151 14.630 6.056 1.00 25.86 C ATOM 853 OG SER A 55 0.211 13.719 6.607 1.00 25.86 O ATOM 854 HA SER A 55 1.095 16.751 6.443 1.00 0.00 H ATOM 855 HB2 SER A 55 2.111 14.129 5.934 1.00 0.00 H ATOM 856 HB3 SER A 55 0.796 14.972 5.084 1.00 0.00 H ATOM 857 HG SER A 55 0.534 13.406 7.489 1.00 0.00 H ATOM 858 H SER A 55 2.966 15.301 8.285 1.00 0.00 H ATOM 859 N THR A 56 -0.873 16.055 7.940 1.00 25.86 N ATOM 860 CA THR A 56 -1.910 16.081 8.985 1.00 25.86 C ATOM 861 C THR A 56 -2.537 14.693 9.149 1.00 25.86 C ATOM 862 O THR A 56 -3.463 14.502 9.951 1.00 25.86 O ATOM 863 CB THR A 56 -3.019 17.063 8.602 1.00 22.49 C ATOM 864 OG1 THR A 56 -3.360 16.900 7.233 1.00 22.49 O ATOM 865 CG2 THR A 56 -2.618 18.525 8.803 1.00 22.49 C ATOM 866 HA THR A 56 -1.440 16.390 9.919 1.00 0.00 H ATOM 867 HB THR A 56 -3.860 16.838 9.258 1.00 0.00 H ATOM 868 HG1 THR A 56 -2.563 17.073 6.673 1.00 0.00 H ATOM 869 HG23 THR A 56 -2.349 18.686 9.847 1.00 0.00 H ATOM 870 HG21 THR A 56 -1.764 18.757 8.166 1.00 0.00 H ATOM 871 HG22 THR A 56 -3.456 19.170 8.539 1.00 0.00 H ATOM 872 H THR A 56 -1.128 16.352 6.977 1.00 0.00 H ATOM 873 N PHE A 57 -2.009 13.760 8.380 1.00 25.86 N ATOM 874 CA PHE A 57 -2.496 12.372 8.369 1.00 25.86 C ATOM 875 C PHE A 57 -1.376 11.411 8.772 1.00 25.86 C ATOM 876 O PHE A 57 -1.627 10.247 9.120 1.00 25.86 O ATOM 877 CB PHE A 57 -3.011 12.002 6.976 1.00 25.32 C ATOM 878 CG PHE A 57 -3.768 13.143 6.297 1.00 25.32 C ATOM 879 CD1 PHE A 57 -3.060 14.163 5.651 1.00 25.32 C ATOM 880 CD2 PHE A 57 -5.168 13.167 6.318 1.00 25.32 C ATOM 881 CE1 PHE A 57 -3.751 15.207 5.027 1.00 25.32 C ATOM 882 CE2 PHE A 57 -5.859 14.211 5.694 1.00 25.32 C ATOM 883 CZ PHE A 57 -5.151 15.232 5.048 1.00 25.32 C ATOM 884 HA PHE A 57 -3.312 12.289 9.087 1.00 0.00 H ATOM 885 HB2 PHE A 57 -2.160 11.729 6.352 1.00 0.00 H ATOM 886 HB3 PHE A 57 -3.681 11.147 7.069 1.00 0.00 H ATOM 887 HD2 PHE A 57 -5.719 12.372 6.821 1.00 0.00 H ATOM 888 HE2 PHE A 57 -6.949 14.230 5.711 1.00 0.00 H ATOM 889 HZ PHE A 57 -5.689 16.046 4.562 1.00 0.00 H ATOM 890 HE1 PHE A 57 -3.199 16.001 4.524 1.00 0.00 H ATOM 891 HD1 PHE A 57 -1.970 14.144 5.634 1.00 0.00 H ATOM 892 H PHE A 57 -1.217 14.016 7.757 1.00 0.00 H ATOM 893 N LYS A 58 -0.162 11.929 8.714 1.00 25.86 N ATOM 894 CA LYS A 58 1.045 11.154 9.043 1.00 25.86 C ATOM 895 C LYS A 58 2.269 12.072 9.103 1.00 25.86 C ATOM 896 O LYS A 58 2.440 12.965 8.259 1.00 25.86 O ATOM 897 CB LYS A 58 1.263 10.058 7.999 1.00 22.49 C ATOM 898 CG LYS A 58 0.801 8.679 8.474 1.00 22.49 C ATOM 899 CD LYS A 58 1.945 7.668 8.580 1.00 22.49 C ATOM 900 CE LYS A 58 1.652 6.535 9.566 1.00 22.49 C ATOM 901 NZ LYS A 58 0.861 5.447 8.972 1.00 22.49 N ATOM 902 HA LYS A 58 0.908 10.692 10.021 1.00 0.00 H ATOM 903 HB2 LYS A 58 0.707 10.320 7.099 1.00 0.00 H ATOM 904 HB3 LYS A 58 2.326 10.007 7.766 1.00 0.00 H ATOM 905 HG2 LYS A 58 0.340 8.786 9.456 1.00 0.00 H ATOM 906 HG3 LYS A 58 0.064 8.297 7.768 1.00 0.00 H ATOM 907 HD2 LYS A 58 2.119 7.235 7.595 1.00 0.00 H ATOM 908 HD3 LYS A 58 2.843 8.192 8.909 1.00 0.00 H ATOM 909 HE2 LYS A 58 1.100 6.944 10.412 1.00 0.00 H ATOM 910 HE3 LYS A 58 2.599 6.125 9.916 1.00 0.00 H ATOM 911 HZ1 LYS A 58 -0.051 5.823 8.642 1.00 0.00 H ATOM 912 HZ2 LYS A 58 1.381 5.041 8.168 1.00 0.00 H ATOM 913 HZ3 LYS A 58 0.695 4.710 9.687 1.00 0.00 H ATOM 914 H LYS A 58 -0.055 12.922 8.425 1.00 0.00 H ATOM 915 N ASN A 59 3.079 11.808 10.116 1.00 25.86 N ATOM 916 CA ASN A 59 4.365 12.494 10.328 1.00 25.86 C ATOM 917 C ASN A 59 5.496 11.459 10.444 1.00 25.86 C ATOM 918 O ASN A 59 5.648 10.792 11.479 1.00 25.86 O ATOM 919 CB ASN A 59 4.326 13.284 11.643 1.00 25.86 C ATOM 920 CG ASN A 59 3.758 14.699 11.482 1.00 25.86 C ATOM 921 OD1 ASN A 59 3.425 15.105 10.370 1.00 25.86 O ATOM 922 ND2 ASN A 59 3.625 15.481 12.537 1.00 25.86 N ATOM 923 HA ASN A 59 4.539 13.162 9.484 1.00 0.00 H ATOM 924 HB2 ASN A 59 3.706 12.740 12.356 1.00 0.00 H ATOM 925 HB3 ASN A 59 5.341 13.360 12.032 1.00 0.00 H ATOM 926 HD22 ASN A 59 3.907 15.138 13.477 1.00 0.00 H ATOM 927 HD21 ASN A 59 3.239 16.440 12.428 1.00 0.00 H ATOM 928 H ASN A 59 2.792 11.077 10.798 1.00 0.00 H ATOM 929 N THR A 60 6.259 11.360 9.364 1.00 25.86 N ATOM 930 CA THR A 60 7.363 10.379 9.230 1.00 25.86 C ATOM 931 C THR A 60 8.680 11.015 9.689 1.00 25.86 C ATOM 932 O THR A 60 8.700 12.147 10.197 1.00 25.86 O ATOM 933 CB THR A 60 7.511 9.976 7.763 1.00 25.86 C ATOM 934 OG1 THR A 60 8.610 10.660 7.179 1.00 25.86 O ATOM 935 CG2 THR A 60 6.273 10.304 6.925 1.00 25.86 C ATOM 936 HA THR A 60 7.136 9.506 9.842 1.00 0.00 H ATOM 937 HB THR A 60 7.659 8.896 7.762 1.00 0.00 H ATOM 938 HG1 THR A 60 8.697 10.392 6.230 1.00 0.00 H ATOM 939 HG23 THR A 60 5.406 9.794 7.345 1.00 0.00 H ATOM 940 HG21 THR A 60 6.103 11.381 6.936 1.00 0.00 H ATOM 941 HG22 THR A 60 6.431 9.970 5.900 1.00 0.00 H ATOM 942 H THR A 60 6.073 12.004 8.569 1.00 0.00 H ATOM 943 N GLU A 61 9.790 10.281 9.509 1.00 25.86 N ATOM 944 CA GLU A 61 11.103 10.900 9.722 1.00 25.86 C ATOM 945 C GLU A 61 12.274 9.958 9.738 1.00 25.86 C ATOM 946 O GLU A 61 12.301 9.009 10.509 1.00 25.86 O ATOM 947 CB GLU A 61 11.087 11.715 11.015 1.00 25.86 C ATOM 948 CG GLU A 61 12.165 11.287 12.010 1.00 25.86 C ATOM 949 CD GLU A 61 12.505 12.379 13.026 1.00 25.86 C ATOM 950 OE1 GLU A 61 13.734 12.721 13.218 1.00 25.86 O ATOM 951 OE2 GLU A 61 11.563 12.958 13.690 1.00 25.86 O ATOM 952 HA GLU A 61 11.258 11.533 8.848 1.00 0.00 H ATOM 953 HB2 GLU A 61 11.243 12.765 10.765 1.00 0.00 H ATOM 954 HB3 GLU A 61 10.112 11.596 11.488 1.00 0.00 H ATOM 955 HG2 GLU A 61 11.812 10.408 12.549 1.00 0.00 H ATOM 956 HG3 GLU A 61 13.069 11.033 11.456 1.00 0.00 H ATOM 957 H GLU A 61 9.720 9.284 9.222 1.00 0.00 H ATOM 958 N ILE A 62 13.316 10.242 8.352 1.00 25.86 N ATOM 959 CA ILE A 62 14.204 9.104 8.276 1.00 25.86 C ATOM 960 C ILE A 62 15.583 9.709 8.449 1.00 25.86 C ATOM 961 O ILE A 62 15.798 10.855 8.082 1.00 25.86 O ATOM 962 CB ILE A 62 14.085 8.415 6.938 1.00 20.00 C ATOM 963 CG1 ILE A 62 12.693 7.830 6.704 1.00 20.00 C ATOM 964 CG2 ILE A 62 15.060 7.245 6.792 1.00 20.00 C ATOM 965 CD1 ILE A 62 12.569 7.103 5.364 1.00 20.00 C ATOM 966 HA ILE A 62 13.979 8.344 9.025 1.00 0.00 H ATOM 967 HB ILE A 62 14.306 9.199 6.214 1.00 0.00 H ATOM 968 HG12 ILE A 62 12.473 7.124 7.505 1.00 0.00 H ATOM 969 HG13 ILE A 62 11.966 8.642 6.728 1.00 0.00 H ATOM 970 HD11 ILE A 62 12.777 7.801 4.553 1.00 0.00 H ATOM 971 HD12 ILE A 62 13.285 6.281 5.330 1.00 0.00 H ATOM 972 HD13 ILE A 62 11.558 6.710 5.257 1.00 0.00 H ATOM 973 HG21 ILE A 62 16.082 7.611 6.892 1.00 0.00 H ATOM 974 HG22 ILE A 62 14.859 6.507 7.569 1.00 0.00 H ATOM 975 HG23 ILE A 62 14.931 6.786 5.812 1.00 0.00 H ATOM 976 HN3 ILE A 62 13.549 10.914 7.593 1.00 0.00 H ATOM 977 HN2 ILE A 62 13.429 10.707 9.275 1.00 0.00 H ATOM 978 HN1 ILE A 62 12.333 9.921 8.242 1.00 0.00 H ATOM 979 N SER A 63 16.659 9.427 9.317 1.00 25.86 N ATOM 980 CA SER A 63 17.949 10.076 9.515 1.00 25.86 C ATOM 981 C SER A 63 18.956 9.043 9.038 1.00 25.86 C ATOM 982 O SER A 63 18.794 7.851 9.304 1.00 25.86 O ATOM 983 CB SER A 63 18.159 10.427 10.985 1.00 25.86 C ATOM 984 OG SER A 63 17.791 9.327 11.804 1.00 25.86 O ATOM 985 HA SER A 63 18.038 11.018 8.974 1.00 0.00 H ATOM 986 HB2 SER A 63 17.545 11.290 11.242 1.00 0.00 H ATOM 987 HB3 SER A 63 19.209 10.667 11.153 1.00 0.00 H ATOM 988 HG SER A 63 18.350 8.543 11.573 1.00 0.00 H ATOM 989 H SER A 63 16.502 8.602 9.930 1.00 0.00 H ATOM 990 N PHE A 64 19.997 9.478 8.341 1.00 25.86 N ATOM 991 CA PHE A 64 20.925 8.507 7.807 1.00 25.86 C ATOM 992 C PHE A 64 22.244 9.079 7.369 1.00 25.86 C ATOM 993 O PHE A 64 22.462 10.287 7.392 1.00 25.86 O ATOM 994 CB PHE A 64 20.282 7.827 6.593 1.00 25.86 C ATOM 995 CG PHE A 64 19.862 8.796 5.525 1.00 25.86 C ATOM 996 CD1 PHE A 64 20.806 9.377 4.684 1.00 25.86 C ATOM 997 CD2 PHE A 64 18.531 9.200 5.425 1.00 25.86 C ATOM 998 CE1 PHE A 64 20.434 10.351 3.763 1.00 25.86 C ATOM 999 CE2 PHE A 64 18.147 10.174 4.508 1.00 25.86 C ATOM 1000 CZ PHE A 64 19.101 10.752 3.677 1.00 25.86 C ATOM 1001 HA PHE A 64 21.135 7.813 8.621 1.00 0.00 H ATOM 1002 HB2 PHE A 64 21.002 7.130 6.165 1.00 0.00 H ATOM 1003 HB3 PHE A 64 19.402 7.278 6.929 1.00 0.00 H ATOM 1004 HD2 PHE A 64 17.781 8.747 6.074 1.00 0.00 H ATOM 1005 HE2 PHE A 64 17.104 10.482 4.441 1.00 0.00 H ATOM 1006 HZ PHE A 64 18.807 11.518 2.959 1.00 0.00 H ATOM 1007 HE1 PHE A 64 21.183 10.800 3.110 1.00 0.00 H ATOM 1008 HD1 PHE A 64 21.849 9.066 4.748 1.00 0.00 H ATOM 1009 H PHE A 64 20.142 10.495 8.182 1.00 0.00 H ATOM 1010 N GLN A 65 23.118 8.176 6.945 1.00 25.86 N ATOM 1011 CA GLN A 65 24.414 8.541 6.427 1.00 25.86 C ATOM 1012 C GLN A 65 24.394 8.052 4.984 1.00 25.86 C ATOM 1013 O GLN A 65 23.964 6.933 4.702 1.00 25.86 O ATOM 1014 CB GLN A 65 25.510 7.845 7.209 1.00 25.86 C ATOM 1015 CG GLN A 65 25.322 7.993 8.697 1.00 25.86 C ATOM 1016 CD GLN A 65 26.503 7.492 9.467 1.00 25.86 C ATOM 1017 OE1 GLN A 65 27.583 8.092 9.427 1.00 25.86 O ATOM 1018 NE2 GLN A 65 26.322 6.377 10.170 1.00 25.86 N ATOM 1019 HA GLN A 65 24.609 9.611 6.502 1.00 0.00 H ATOM 1020 HB2 GLN A 65 25.504 6.785 6.957 1.00 0.00 H ATOM 1021 HB3 GLN A 65 26.471 8.278 6.930 1.00 0.00 H ATOM 1022 HG2 GLN A 65 25.172 9.047 8.929 1.00 0.00 H ATOM 1023 HG3 GLN A 65 24.440 7.427 8.998 1.00 0.00 H ATOM 1024 HE22 GLN A 65 25.394 5.908 10.172 1.00 0.00 H ATOM 1025 HE21 GLN A 65 27.109 5.974 10.718 1.00 0.00 H ATOM 1026 H GLN A 65 22.860 7.169 6.987 1.00 0.00 H ATOM 1027 N LEU A 66 24.834 8.914 4.081 1.00 25.86 N ATOM 1028 CA LEU A 66 24.876 8.601 2.671 1.00 25.86 C ATOM 1029 C LEU A 66 25.644 7.319 2.422 1.00 25.86 C ATOM 1030 O LEU A 66 26.715 7.098 2.991 1.00 25.86 O ATOM 1031 CB LEU A 66 25.528 9.754 1.909 1.00 25.86 C ATOM 1032 CG LEU A 66 24.786 11.088 1.936 1.00 25.86 C ATOM 1033 CD1 LEU A 66 25.745 12.190 1.503 1.00 25.86 C ATOM 1034 CD2 LEU A 66 23.542 11.020 1.037 1.00 25.86 C ATOM 1035 HA LEU A 66 23.855 8.460 2.318 1.00 0.00 H ATOM 1036 HB2 LEU A 66 26.518 9.916 2.335 1.00 0.00 H ATOM 1037 HB3 LEU A 66 25.627 9.450 0.867 1.00 0.00 H ATOM 1038 HG LEU A 66 24.438 11.310 2.945 1.00 0.00 H ATOM 1039 HD21 LEU A 66 23.846 10.800 0.014 1.00 0.00 H ATOM 1040 HD22 LEU A 66 22.878 10.234 1.396 1.00 0.00 H ATOM 1041 HD23 LEU A 66 23.022 11.978 1.065 1.00 0.00 H ATOM 1042 HD11 LEU A 66 26.592 12.223 2.188 1.00 0.00 H ATOM 1043 HD12 LEU A 66 26.101 11.984 0.493 1.00 0.00 H ATOM 1044 HD13 LEU A 66 25.226 13.148 1.518 1.00 0.00 H ATOM 1045 H LEU A 66 25.161 9.849 4.397 1.00 0.00 H ATOM 1046 N GLY A 67 25.080 6.470 1.571 1.00 25.86 N ATOM 1047 CA GLY A 67 25.721 5.213 1.235 1.00 25.86 C ATOM 1048 C GLY A 67 25.496 4.095 2.237 1.00 25.86 C ATOM 1049 O GLY A 67 25.920 2.968 1.991 1.00 25.86 O ATOM 1050 HA3 GLY A 67 26.794 5.389 1.159 1.00 0.00 H ATOM 1051 HA2 GLY A 67 25.338 4.885 0.269 1.00 0.00 H ATOM 1052 H GLY A 67 24.165 6.710 1.139 1.00 0.00 H ATOM 1053 N GLU A 68 24.848 4.387 3.363 1.00 25.86 N ATOM 1054 CA GLU A 68 24.597 3.350 4.361 1.00 25.86 C ATOM 1055 C GLU A 68 23.154 2.876 4.422 1.00 25.86 C ATOM 1056 O GLU A 68 22.228 3.667 4.590 1.00 25.86 O ATOM 1057 CB GLU A 68 25.022 3.811 5.750 1.00 25.86 C ATOM 1058 CG GLU A 68 26.409 3.342 6.158 1.00 25.86 C ATOM 1059 CD GLU A 68 26.573 3.247 7.677 1.00 25.86 C ATOM 1060 OE1 GLU A 68 27.725 3.069 8.142 1.00 25.86 O ATOM 1061 OE2 GLU A 68 25.549 3.344 8.399 1.00 25.86 O ATOM 1062 HA GLU A 68 25.200 2.502 4.036 1.00 0.00 H ATOM 1063 HB2 GLU A 68 25.009 4.901 5.769 1.00 0.00 H ATOM 1064 HB3 GLU A 68 24.303 3.427 6.474 1.00 0.00 H ATOM 1065 HG2 GLU A 68 26.587 2.358 5.725 1.00 0.00 H ATOM 1066 HG3 GLU A 68 27.145 4.047 5.770 1.00 0.00 H ATOM 1067 H GLU A 68 24.519 5.359 3.533 1.00 0.00 H ATOM 1068 N GLU A 69 22.980 1.566 4.293 1.00 25.86 N ATOM 1069 CA GLU A 69 21.660 0.947 4.338 1.00 25.86 C ATOM 1070 C GLU A 69 21.076 1.103 5.738 1.00 25.86 C ATOM 1071 O GLU A 69 21.804 1.056 6.725 1.00 25.86 O ATOM 1072 CB GLU A 69 21.775 -0.534 3.983 1.00 25.86 C ATOM 1073 CG GLU A 69 20.468 -1.229 3.672 1.00 25.86 C ATOM 1074 CD GLU A 69 20.679 -2.669 3.201 1.00 25.86 C ATOM 1075 OE1 GLU A 69 21.266 -2.868 2.112 1.00 25.86 O ATOM 1076 OE2 GLU A 69 20.259 -3.601 3.921 1.00 25.86 O ATOM 1077 HA GLU A 69 21.003 1.434 3.618 1.00 0.00 H ATOM 1078 HB2 GLU A 69 22.419 -0.622 3.108 1.00 0.00 H ATOM 1079 HB3 GLU A 69 22.237 -1.047 4.826 1.00 0.00 H ATOM 1080 HG2 GLU A 69 19.853 -1.240 4.572 1.00 0.00 H ATOM 1081 HG3 GLU A 69 19.953 -0.674 2.888 1.00 0.00 H ATOM 1082 H GLU A 69 23.814 0.960 4.155 1.00 0.00 H ATOM 1083 N PHE A 70 19.766 1.304 5.812 1.00 25.86 N ATOM 1084 CA PHE A 70 19.072 1.455 7.084 1.00 25.86 C ATOM 1085 C PHE A 70 17.652 0.909 6.942 1.00 25.86 C ATOM 1086 O PHE A 70 17.181 0.690 5.819 1.00 25.86 O ATOM 1087 CB PHE A 70 19.051 2.937 7.494 1.00 25.86 C ATOM 1088 CG PHE A 70 18.261 3.824 6.563 1.00 25.86 C ATOM 1089 CD1 PHE A 70 16.922 4.108 6.821 1.00 25.86 C ATOM 1090 CD2 PHE A 70 18.863 4.398 5.443 1.00 25.86 C ATOM 1091 CE1 PHE A 70 16.202 4.951 5.985 1.00 25.86 C ATOM 1092 CE2 PHE A 70 18.149 5.240 4.603 1.00 25.86 C ATOM 1093 CZ PHE A 70 16.820 5.520 4.873 1.00 25.86 C ATOM 1094 HA PHE A 70 19.591 0.896 7.862 1.00 0.00 H ATOM 1095 HB2 PHE A 70 18.614 3.011 8.490 1.00 0.00 H ATOM 1096 HB3 PHE A 70 20.079 3.299 7.522 1.00 0.00 H ATOM 1097 HD2 PHE A 70 19.909 4.182 5.225 1.00 0.00 H ATOM 1098 HE2 PHE A 70 18.633 5.681 3.732 1.00 0.00 H ATOM 1099 HZ PHE A 70 16.258 6.185 4.217 1.00 0.00 H ATOM 1100 HE1 PHE A 70 15.155 5.167 6.198 1.00 0.00 H ATOM 1101 HD1 PHE A 70 16.434 3.664 7.689 1.00 0.00 H ATOM 1102 H PHE A 70 19.216 1.355 4.931 1.00 0.00 H ATOM 1103 N ASP A 71 16.983 0.653 8.061 1.00 25.86 N ATOM 1104 CA ASP A 71 15.611 0.153 8.005 1.00 25.86 C ATOM 1105 C ASP A 71 14.668 1.334 7.916 1.00 25.86 C ATOM 1106 O ASP A 71 14.910 2.378 8.520 1.00 25.86 O ATOM 1107 CB ASP A 71 15.238 -0.648 9.250 1.00 25.86 C ATOM 1108 CG ASP A 71 15.985 -1.962 9.352 1.00 25.86 C ATOM 1109 OD1 ASP A 71 16.092 -2.691 8.340 1.00 25.86 O ATOM 1110 OD2 ASP A 71 16.448 -2.267 10.467 1.00 25.86 O ATOM 1111 HA ASP A 71 15.533 -0.500 7.136 1.00 0.00 H ATOM 1112 HB2 ASP A 71 15.467 -0.048 10.131 1.00 0.00 H ATOM 1113 HB3 ASP A 71 14.169 -0.857 9.222 1.00 0.00 H ATOM 1114 H ASP A 71 17.439 0.809 8.983 1.00 0.00 H ATOM 1115 N GLU A 72 13.581 1.170 7.181 1.00 25.86 N ATOM 1116 CA GLU A 72 12.633 2.257 7.040 1.00 25.86 C ATOM 1117 C GLU A 72 11.211 1.738 7.021 1.00 25.86 C ATOM 1118 O GLU A 72 10.888 0.765 6.334 1.00 25.86 O ATOM 1119 CB GLU A 72 12.922 3.041 5.753 1.00 25.86 C ATOM 1120 CG GLU A 72 11.905 3.807 5.190 1.00 25.86 C ATOM 1121 CD GLU A 72 12.365 4.307 3.828 1.00 25.86 C ATOM 1122 OE1 GLU A 72 12.360 3.524 2.857 1.00 25.86 O ATOM 1123 OE2 GLU A 72 12.714 5.498 3.731 1.00 25.86 O ATOM 1124 HA GLU A 72 12.743 2.920 7.898 1.00 0.00 H ATOM 1125 HB2 GLU A 72 13.750 3.716 5.968 1.00 0.00 H ATOM 1126 HB3 GLU A 72 13.232 2.317 5.000 1.00 0.00 H ATOM 1127 HG2 GLU A 72 11.009 3.198 5.074 1.00 0.00 H ATOM 1128 HG3 GLU A 72 11.684 4.656 5.837 1.00 0.00 H ATOM 1129 H GLU A 72 13.407 0.262 6.705 1.00 0.00 H ATOM 1130 N THR A 73 10.360 2.374 7.805 1.00 25.86 N ATOM 1131 CA THR A 73 8.957 2.011 7.837 1.00 25.86 C ATOM 1132 C THR A 73 8.291 3.162 7.101 1.00 25.86 C ATOM 1133 O THR A 73 8.248 4.290 7.594 1.00 25.86 O ATOM 1134 CB THR A 73 8.437 1.917 9.279 1.00 25.86 C ATOM 1135 OG1 THR A 73 9.118 0.853 9.953 1.00 25.86 O ATOM 1136 CG2 THR A 73 6.945 1.642 9.298 1.00 25.86 C ATOM 1137 HA THR A 73 8.760 1.036 7.391 1.00 0.00 H ATOM 1138 HB THR A 73 8.623 2.867 9.780 1.00 0.00 H ATOM 1139 HG1 THR A 73 8.946 0.001 9.480 1.00 0.00 H ATOM 1140 HG23 THR A 73 6.421 2.449 8.786 1.00 0.00 H ATOM 1141 HG21 THR A 73 6.744 0.698 8.791 1.00 0.00 H ATOM 1142 HG22 THR A 73 6.601 1.582 10.331 1.00 0.00 H ATOM 1143 H THR A 73 10.702 3.148 8.410 1.00 0.00 H ATOM 1144 N THR A 74 7.786 2.875 5.909 1.00 25.86 N ATOM 1145 CA THR A 74 7.171 3.906 5.102 1.00 25.86 C ATOM 1146 C THR A 74 5.773 4.305 5.535 1.00 25.86 C ATOM 1147 O THR A 74 5.167 3.669 6.402 1.00 25.86 O ATOM 1148 CB THR A 74 7.161 3.493 3.626 1.00 25.86 C ATOM 1149 OG1 THR A 74 6.288 2.377 3.435 1.00 25.86 O ATOM 1150 CG2 THR A 74 8.576 3.099 3.194 1.00 25.86 C ATOM 1151 HA THR A 74 7.790 4.791 5.249 1.00 0.00 H ATOM 1152 HB THR A 74 6.811 4.334 3.027 1.00 0.00 H ATOM 1153 HG1 THR A 74 5.370 2.627 3.710 1.00 0.00 H ATOM 1154 HG23 THR A 74 9.247 3.946 3.337 1.00 0.00 H ATOM 1155 HG21 THR A 74 8.917 2.257 3.797 1.00 0.00 H ATOM 1156 HG22 THR A 74 8.567 2.814 2.142 1.00 0.00 H ATOM 1157 H THR A 74 7.833 1.900 5.551 1.00 0.00 H ATOM 1158 N ALA A 75 5.272 5.371 4.921 1.00 25.86 N ATOM 1159 CA ALA A 75 3.948 5.892 5.226 1.00 25.86 C ATOM 1160 C ALA A 75 2.879 4.840 4.957 1.00 25.86 C ATOM 1161 O ALA A 75 1.900 4.739 5.695 1.00 25.86 O ATOM 1162 CB ALA A 75 3.684 7.141 4.398 1.00 25.86 C ATOM 1163 HA ALA A 75 3.908 6.151 6.284 1.00 0.00 H ATOM 1164 HB1 ALA A 75 4.433 7.897 4.634 1.00 0.00 H ATOM 1165 HB2 ALA A 75 3.739 6.891 3.338 1.00 0.00 H ATOM 1166 HB3 ALA A 75 2.691 7.526 4.631 1.00 0.00 H ATOM 1167 H ALA A 75 5.846 5.850 4.198 1.00 0.00 H ATOM 1168 N ASP A 76 3.068 4.054 3.901 1.00 25.86 N ATOM 1169 CA ASP A 76 2.109 3.010 3.564 1.00 25.86 C ATOM 1170 C ASP A 76 2.426 1.723 4.315 1.00 25.86 C ATOM 1171 O ASP A 76 1.890 0.662 4.009 1.00 25.86 O ATOM 1172 CB ASP A 76 2.085 2.758 2.055 1.00 25.86 C ATOM 1173 CG ASP A 76 3.464 2.583 1.464 1.00 25.86 C ATOM 1174 OD1 ASP A 76 3.570 1.872 0.448 1.00 25.86 O ATOM 1175 OD2 ASP A 76 4.444 3.165 1.981 1.00 25.86 O ATOM 1176 HA ASP A 76 1.120 3.351 3.869 1.00 0.00 H ATOM 1177 HB2 ASP A 76 1.507 1.854 1.863 1.00 0.00 H ATOM 1178 HB3 ASP A 76 1.603 3.606 1.568 1.00 0.00 H ATOM 1179 H ASP A 76 3.912 4.186 3.308 1.00 0.00 H ATOM 1180 N ASP A 77 3.318 1.842 5.297 1.00 25.86 N ATOM 1181 CA ASP A 77 3.721 0.744 6.171 1.00 25.86 C ATOM 1182 C ASP A 77 4.426 -0.455 5.526 1.00 25.86 C ATOM 1183 O ASP A 77 4.002 -1.606 5.677 1.00 25.86 O ATOM 1184 CB ASP A 77 2.508 0.268 6.966 1.00 25.86 C ATOM 1185 CG ASP A 77 1.814 1.403 7.708 1.00 25.86 C ATOM 1186 OD1 ASP A 77 2.415 1.975 8.649 1.00 25.86 O ATOM 1187 OD2 ASP A 77 0.658 1.723 7.347 1.00 25.86 O ATOM 1188 HA ASP A 77 4.496 1.178 6.803 1.00 0.00 H ATOM 1189 HB2 ASP A 77 1.796 -0.187 6.278 1.00 0.00 H ATOM 1190 HB3 ASP A 77 2.836 -0.476 7.692 1.00 0.00 H ATOM 1191 H ASP A 77 3.754 2.774 5.451 1.00 0.00 H ATOM 1192 N ARG A 78 5.499 -0.173 4.798 1.00 25.86 N ATOM 1193 CA ARG A 78 6.302 -1.214 4.170 1.00 25.86 C ATOM 1194 C ARG A 78 7.624 -1.117 4.899 1.00 25.86 C ATOM 1195 O ARG A 78 8.192 -0.034 5.000 1.00 25.86 O ATOM 1196 CB ARG A 78 6.545 -0.939 2.680 1.00 25.86 C ATOM 1197 CG ARG A 78 5.362 -1.209 1.772 1.00 25.86 C ATOM 1198 CD ARG A 78 5.296 -0.160 0.679 1.00 25.86 C ATOM 1199 NE ARG A 78 6.573 -0.015 0.003 1.00 25.86 N ATOM 1200 CZ ARG A 78 7.213 1.137 -0.174 1.00 25.86 C ATOM 1201 NH1 ARG A 78 8.372 1.136 -0.808 1.00 25.86 N ATOM 1202 NH2 ARG A 78 6.710 2.279 0.279 1.00 25.86 N ATOM 1203 HA ARG A 78 5.813 -2.187 4.229 1.00 0.00 H ATOM 1204 HB2 ARG A 78 6.821 0.110 2.571 1.00 0.00 H ATOM 1205 HB3 ARG A 78 7.373 -1.568 2.352 1.00 0.00 H ATOM 1206 HG2 ARG A 78 5.471 -2.195 1.320 1.00 0.00 H ATOM 1207 HG3 ARG A 78 4.443 -1.179 2.357 1.00 0.00 H ATOM 1208 HD2 ARG A 78 5.019 0.797 1.122 1.00 0.00 H ATOM 1209 HD3 ARG A 78 4.541 -0.454 -0.050 1.00 0.00 H ATOM 1210 HE ARG A 78 7.020 -0.876 -0.371 1.00 0.00 H ATOM 1211 HH12 ARG A 78 8.885 2.029 -0.955 1.00 0.00 H ATOM 1212 HH11 ARG A 78 8.771 0.243 -1.160 1.00 0.00 H ATOM 1213 HH22 ARG A 78 7.226 3.170 0.130 1.00 0.00 H ATOM 1214 HH21 ARG A 78 5.800 2.283 0.782 1.00 0.00 H ATOM 1215 H ARG A 78 5.775 0.822 4.672 1.00 0.00 H ATOM 1216 N ASN A 79 8.105 -2.234 5.422 1.00 25.86 N ATOM 1217 CA ASN A 79 9.376 -2.225 6.121 1.00 25.86 C ATOM 1218 C ASN A 79 10.421 -2.500 5.056 1.00 25.86 C ATOM 1219 O ASN A 79 10.478 -3.584 4.490 1.00 25.86 O ATOM 1220 CB ASN A 79 9.364 -3.280 7.226 1.00 25.86 C ATOM 1221 CG ASN A 79 8.288 -3.009 8.253 1.00 25.86 C ATOM 1222 OD1 ASN A 79 8.389 -2.067 9.057 1.00 25.86 O ATOM 1223 ND2 ASN A 79 7.231 -3.809 8.219 1.00 25.86 N ATOM 1224 HA ASN A 79 9.587 -1.278 6.618 1.00 0.00 H ATOM 1225 HB2 ASN A 79 9.186 -4.258 6.778 1.00 0.00 H ATOM 1226 HB3 ASN A 79 10.334 -3.281 7.723 1.00 0.00 H ATOM 1227 HD22 ASN A 79 7.189 -4.586 7.529 1.00 0.00 H ATOM 1228 HD21 ASN A 79 6.444 -3.660 8.883 1.00 0.00 H ATOM 1229 H ASN A 79 7.570 -3.121 5.331 1.00 0.00 H ATOM 1230 N CYS A 80 11.235 -1.491 4.775 1.00 25.86 N ATOM 1231 CA CYS A 80 12.240 -1.594 3.730 1.00 25.86 C ATOM 1232 C CYS A 80 13.682 -1.509 4.206 1.00 25.86 C ATOM 1233 O CYS A 80 13.958 -1.169 5.346 1.00 25.86 O ATOM 1234 CB CYS A 80 12.006 -0.478 2.698 1.00 25.86 C ATOM 1235 SG CYS A 80 10.261 -0.213 2.162 1.00 25.86 S ATOM 1236 HA CYS A 80 12.118 -2.591 3.308 1.00 0.00 H ATOM 1237 HB2 CYS A 80 12.593 -0.717 1.811 1.00 0.00 H ATOM 1238 HB3 CYS A 80 12.366 0.455 3.130 1.00 0.00 H ATOM 1239 HG CYS A 80 9.490 0.115 3.258 1.00 0.00 H ATOM 1240 H CYS A 80 11.152 -0.606 5.315 1.00 0.00 H ATOM 1241 N LYS A 81 14.590 -1.850 3.300 1.00 25.86 N ATOM 1242 CA LYS A 81 16.022 -1.740 3.520 1.00 25.86 C ATOM 1243 C LYS A 81 16.363 -0.633 2.523 1.00 25.86 C ATOM 1244 O LYS A 81 16.358 -0.846 1.310 1.00 25.86 O ATOM 1245 CB LYS A 81 16.740 -3.040 3.156 1.00 25.86 C ATOM 1246 CG LYS A 81 17.124 -3.915 4.349 1.00 25.86 C ATOM 1247 CD LYS A 81 15.993 -4.024 5.360 1.00 25.86 C ATOM 1248 CE LYS A 81 16.317 -5.031 6.480 1.00 25.86 C ATOM 1249 NZ LYS A 81 17.602 -4.735 7.194 1.00 25.86 N ATOM 1250 HA LYS A 81 16.312 -1.540 4.552 1.00 0.00 H ATOM 1251 HB2 LYS A 81 16.084 -3.620 2.507 1.00 0.00 H ATOM 1252 HB3 LYS A 81 17.651 -2.785 2.615 1.00 0.00 H ATOM 1253 HG2 LYS A 81 17.372 -4.913 3.989 1.00 0.00 H ATOM 1254 HG3 LYS A 81 17.995 -3.480 4.840 1.00 0.00 H ATOM 1255 HD2 LYS A 81 15.823 -3.044 5.806 1.00 0.00 H ATOM 1256 HD3 LYS A 81 15.089 -4.349 4.844 1.00 0.00 H ATOM 1257 HE2 LYS A 81 16.387 -6.026 6.041 1.00 0.00 H ATOM 1258 HE3 LYS A 81 15.505 -5.012 7.207 1.00 0.00 H ATOM 1259 HZ1 LYS A 81 18.389 -4.760 6.514 1.00 0.00 H ATOM 1260 HZ2 LYS A 81 17.547 -3.792 7.628 1.00 0.00 H ATOM 1261 HZ3 LYS A 81 17.759 -5.449 7.933 1.00 0.00 H ATOM 1262 H LYS A 81 14.259 -2.215 2.384 1.00 0.00 H ATOM 1263 N SER A 82 16.650 0.553 3.035 1.00 25.86 N ATOM 1264 CA SER A 82 16.922 1.689 2.175 1.00 25.86 C ATOM 1265 C SER A 82 18.328 2.247 2.197 1.00 25.86 C ATOM 1266 O SER A 82 19.115 1.995 3.109 1.00 25.86 O ATOM 1267 CB SER A 82 15.943 2.822 2.515 1.00 25.86 C ATOM 1268 OG SER A 82 14.611 2.347 2.537 1.00 25.86 O ATOM 1269 HA SER A 82 16.795 1.295 1.167 1.00 0.00 H ATOM 1270 HB2 SER A 82 16.030 3.607 1.764 1.00 0.00 H ATOM 1271 HB3 SER A 82 16.194 3.229 3.495 1.00 0.00 H ATOM 1272 HG SER A 82 13.999 3.093 2.758 1.00 0.00 H ATOM 1273 H SER A 82 16.681 0.672 4.068 1.00 0.00 H ATOM 1274 N VAL A 83 18.624 3.033 1.176 1.00 25.86 N ATOM 1275 CA VAL A 83 19.906 3.689 1.045 1.00 25.86 C ATOM 1276 C VAL A 83 19.701 5.012 0.323 1.00 25.86 C ATOM 1277 O VAL A 83 19.056 5.067 -0.728 1.00 25.86 O ATOM 1278 CB VAL A 83 20.907 2.853 0.222 1.00 25.86 C ATOM 1279 CG1 VAL A 83 22.193 3.644 0.027 1.00 25.86 C ATOM 1280 CG2 VAL A 83 21.203 1.541 0.921 1.00 25.86 C ATOM 1281 HA VAL A 83 20.312 3.827 2.047 1.00 0.00 H ATOM 1282 HB VAL A 83 20.468 2.633 -0.751 1.00 0.00 H ATOM 1283 HG11 VAL A 83 21.971 4.570 -0.503 1.00 0.00 H ATOM 1284 HG12 VAL A 83 22.627 3.875 1.000 1.00 0.00 H ATOM 1285 HG13 VAL A 83 22.898 3.051 -0.555 1.00 0.00 H ATOM 1286 HG21 VAL A 83 21.632 1.742 1.903 1.00 0.00 H ATOM 1287 HG22 VAL A 83 20.278 0.975 1.036 1.00 0.00 H ATOM 1288 HG23 VAL A 83 21.911 0.965 0.325 1.00 0.00 H ATOM 1289 H VAL A 83 17.907 3.185 0.438 1.00 0.00 H ATOM 1290 N VAL A 84 20.232 6.082 0.897 1.00 25.86 N ATOM 1291 CA VAL A 84 20.135 7.377 0.263 1.00 25.86 C ATOM 1292 C VAL A 84 21.554 7.731 -0.139 1.00 25.86 C ATOM 1293 O VAL A 84 22.496 7.492 0.605 1.00 25.86 O ATOM 1294 CB VAL A 84 19.556 8.443 1.218 1.00 25.86 C ATOM 1295 CG1 VAL A 84 19.439 9.788 0.501 1.00 25.86 C ATOM 1296 CG2 VAL A 84 18.188 8.001 1.701 1.00 25.86 C ATOM 1297 HA VAL A 84 19.458 7.347 -0.591 1.00 0.00 H ATOM 1298 HB VAL A 84 20.225 8.556 2.071 1.00 0.00 H ATOM 1299 HG11 VAL A 84 20.426 10.107 0.166 1.00 0.00 H ATOM 1300 HG12 VAL A 84 18.778 9.683 -0.360 1.00 0.00 H ATOM 1301 HG13 VAL A 84 19.029 10.530 1.187 1.00 0.00 H ATOM 1302 HG21 VAL A 84 17.524 7.880 0.845 1.00 0.00 H ATOM 1303 HG22 VAL A 84 18.280 7.052 2.229 1.00 0.00 H ATOM 1304 HG23 VAL A 84 17.781 8.755 2.375 1.00 0.00 H ATOM 1305 H VAL A 84 20.722 5.989 1.810 1.00 0.00 H ATOM 1306 N SER A 85 21.722 8.269 -1.335 1.00 25.86 N ATOM 1307 CA SER A 85 23.056 8.625 -1.768 1.00 25.86 C ATOM 1308 C SER A 85 23.056 9.762 -2.771 1.00 25.86 C ATOM 1309 O SER A 85 22.006 10.175 -3.286 1.00 25.86 O ATOM 1310 CB SER A 85 23.745 7.405 -2.378 1.00 25.86 C ATOM 1311 OG SER A 85 23.015 6.931 -3.499 1.00 25.86 O ATOM 1312 HA SER A 85 23.601 8.966 -0.887 1.00 0.00 H ATOM 1313 HB2 SER A 85 23.806 6.615 -1.629 1.00 0.00 H ATOM 1314 HB3 SER A 85 24.750 7.682 -2.695 1.00 0.00 H ATOM 1315 HG SER A 85 23.475 6.142 -3.881 1.00 0.00 H ATOM 1316 H SER A 85 20.905 8.434 -1.957 1.00 0.00 H ATOM 1317 N LEU A 86 24.248 10.274 -3.031 1.00 25.86 N ATOM 1318 CA LEU A 86 24.434 11.342 -3.988 1.00 25.86 C ATOM 1319 C LEU A 86 24.998 10.709 -5.255 1.00 25.86 C ATOM 1320 O LEU A 86 25.890 9.857 -5.196 1.00 25.86 O ATOM 1321 CB LEU A 86 25.415 12.371 -3.435 1.00 25.86 C ATOM 1322 CG LEU A 86 24.931 13.812 -3.332 1.00 25.86 C ATOM 1323 CD1 LEU A 86 25.861 14.560 -2.407 1.00 25.86 C ATOM 1324 CD2 LEU A 86 24.876 14.464 -4.731 1.00 25.86 C ATOM 1325 HA LEU A 86 23.493 11.852 -4.194 1.00 0.00 H ATOM 1326 HB2 LEU A 86 25.699 12.048 -2.433 1.00 0.00 H ATOM 1327 HB3 LEU A 86 26.294 12.366 -4.080 1.00 0.00 H ATOM 1328 HG LEU A 86 23.920 13.844 -2.926 1.00 0.00 H ATOM 1329 HD21 LEU A 86 25.872 14.455 -5.174 1.00 0.00 H ATOM 1330 HD22 LEU A 86 24.189 13.903 -5.365 1.00 0.00 H ATOM 1331 HD23 LEU A 86 24.528 15.493 -4.638 1.00 0.00 H ATOM 1332 HD11 LEU A 86 25.849 14.090 -1.424 1.00 0.00 H ATOM 1333 HD12 LEU A 86 26.873 14.533 -2.811 1.00 0.00 H ATOM 1334 HD13 LEU A 86 25.530 15.595 -2.320 1.00 0.00 H ATOM 1335 H LEU A 86 25.078 9.896 -2.531 1.00 0.00 H ATOM 1336 N ASP A 87 24.452 11.111 -6.394 1.00 25.86 N ATOM 1337 CA ASP A 87 24.893 10.624 -7.692 1.00 25.86 C ATOM 1338 C ASP A 87 25.146 11.885 -8.506 1.00 25.86 C ATOM 1339 O ASP A 87 24.265 12.357 -9.225 1.00 25.86 O ATOM 1340 CB ASP A 87 23.786 9.792 -8.342 1.00 25.86 C ATOM 1341 CG ASP A 87 24.242 9.088 -9.618 1.00 25.86 C ATOM 1342 OD1 ASP A 87 24.914 9.718 -10.472 1.00 25.86 O ATOM 1343 OD2 ASP A 87 23.908 7.897 -9.769 1.00 25.86 O ATOM 1344 HA ASP A 87 25.776 9.989 -7.623 1.00 0.00 H ATOM 1345 HB2 ASP A 87 23.453 9.038 -7.629 1.00 0.00 H ATOM 1346 HB3 ASP A 87 22.953 10.451 -8.587 1.00 0.00 H ATOM 1347 H ASP A 87 23.676 11.803 -6.358 1.00 0.00 H ATOM 1348 N GLY A 88 26.340 12.457 -8.360 1.00 25.86 N ATOM 1349 CA GLY A 88 26.665 13.663 -9.092 1.00 25.86 C ATOM 1350 C GLY A 88 26.014 14.897 -8.495 1.00 25.86 C ATOM 1351 O GLY A 88 26.641 15.628 -7.735 1.00 25.86 O ATOM 1352 HA3 GLY A 88 26.324 13.550 -10.121 1.00 0.00 H ATOM 1353 HA2 GLY A 88 27.747 13.798 -9.082 1.00 0.00 H ATOM 1354 H GLY A 88 27.041 12.036 -7.718 1.00 0.00 H ATOM 1355 N ASP A 89 24.752 15.137 -8.822 1.00 25.86 N ATOM 1356 CA ASP A 89 24.059 16.310 -8.298 1.00 25.86 C ATOM 1357 C ASP A 89 22.678 15.931 -7.784 1.00 25.86 C ATOM 1358 O ASP A 89 21.991 16.757 -7.186 1.00 25.86 O ATOM 1359 CB ASP A 89 23.920 17.366 -9.401 1.00 25.86 C ATOM 1360 CG ASP A 89 22.949 16.938 -10.488 1.00 25.86 C ATOM 1361 OD1 ASP A 89 21.750 17.291 -10.393 1.00 25.86 O ATOM 1362 OD2 ASP A 89 23.373 16.231 -11.431 1.00 25.86 O ATOM 1363 HA ASP A 89 24.643 16.716 -7.472 1.00 0.00 H ATOM 1364 HB2 ASP A 89 23.561 18.294 -8.955 1.00 0.00 H ATOM 1365 HB3 ASP A 89 24.898 17.535 -9.851 1.00 0.00 H ATOM 1366 H ASP A 89 24.251 14.484 -9.458 1.00 0.00 H ATOM 1367 N LYS A 90 22.294 14.676 -8.013 1.00 25.86 N ATOM 1368 CA LYS A 90 20.995 14.149 -7.597 1.00 25.86 C ATOM 1369 C LYS A 90 21.042 13.305 -6.315 1.00 25.86 C ATOM 1370 O LYS A 90 22.009 12.591 -6.045 1.00 25.86 O ATOM 1371 CB LYS A 90 20.404 13.266 -8.697 1.00 25.86 C ATOM 1372 CG LYS A 90 20.553 13.801 -10.113 1.00 25.86 C ATOM 1373 CD LYS A 90 19.920 12.835 -11.116 1.00 25.86 C ATOM 1374 CE LYS A 90 20.349 13.157 -12.552 1.00 25.86 C ATOM 1375 NZ LYS A 90 20.154 14.617 -12.839 1.00 25.86 N ATOM 1376 HA LYS A 90 20.383 15.030 -7.403 1.00 0.00 H ATOM 1377 HB2 LYS A 90 20.897 12.295 -8.650 1.00 0.00 H ATOM 1378 HB3 LYS A 90 19.340 13.142 -8.494 1.00 0.00 H ATOM 1379 HG2 LYS A 90 20.059 14.770 -10.185 1.00 0.00 H ATOM 1380 HG3 LYS A 90 21.612 13.917 -10.344 1.00 0.00 H ATOM 1381 HD2 LYS A 90 20.229 11.818 -10.873 1.00 0.00 H ATOM 1382 HD3 LYS A 90 18.835 12.910 -11.045 1.00 0.00 H ATOM 1383 HE2 LYS A 90 19.748 12.570 -13.247 1.00 0.00 H ATOM 1384 HE3 LYS A 90 21.401 12.903 -12.679 1.00 0.00 H ATOM 1385 HZ1 LYS A 90 19.150 14.861 -12.721 1.00 0.00 H ATOM 1386 HZ2 LYS A 90 20.728 15.179 -12.178 1.00 0.00 H ATOM 1387 HZ3 LYS A 90 20.449 14.820 -13.815 1.00 0.00 H ATOM 1388 H LYS A 90 22.949 14.041 -8.511 1.00 0.00 H ATOM 1389 N LEU A 91 19.967 13.380 -5.542 1.00 25.86 N ATOM 1390 CA LEU A 91 19.840 12.603 -4.318 1.00 25.86 C ATOM 1391 C LEU A 91 18.990 11.384 -4.684 1.00 25.86 C ATOM 1392 O LEU A 91 17.825 11.535 -5.041 1.00 25.86 O ATOM 1393 CB LEU A 91 19.116 13.419 -3.251 1.00 25.86 C ATOM 1394 CG LEU A 91 19.767 13.601 -1.884 1.00 25.86 C ATOM 1395 CD1 LEU A 91 18.653 13.758 -0.867 1.00 25.86 C ATOM 1396 CD2 LEU A 91 20.643 12.408 -1.526 1.00 25.86 C ATOM 1397 HA LEU A 91 20.816 12.321 -3.923 1.00 0.00 H ATOM 1398 HB2 LEU A 91 18.958 14.415 -3.664 1.00 0.00 H ATOM 1399 HB3 LEU A 91 18.151 12.940 -3.083 1.00 0.00 H ATOM 1400 HG LEU A 91 20.412 14.480 -1.894 1.00 0.00 H ATOM 1401 HD21 LEU A 91 20.033 11.505 -1.503 1.00 0.00 H ATOM 1402 HD22 LEU A 91 21.429 12.299 -2.273 1.00 0.00 H ATOM 1403 HD23 LEU A 91 21.092 12.570 -0.546 1.00 0.00 H ATOM 1404 HD11 LEU A 91 18.050 14.630 -1.122 1.00 0.00 H ATOM 1405 HD12 LEU A 91 18.026 12.866 -0.876 1.00 0.00 H ATOM 1406 HD13 LEU A 91 19.085 13.891 0.125 1.00 0.00 H ATOM 1407 H LEU A 91 19.190 14.014 -5.819 1.00 0.00 H ATOM 1408 N VAL A 92 19.572 10.189 -4.610 1.00 25.86 N ATOM 1409 CA VAL A 92 18.851 8.959 -4.947 1.00 25.86 C ATOM 1410 C VAL A 92 18.432 8.173 -3.707 1.00 25.86 C ATOM 1411 O VAL A 92 19.265 7.854 -2.858 1.00 25.86 O ATOM 1412 CB VAL A 92 19.713 8.020 -5.839 1.00 25.86 C ATOM 1413 CG1 VAL A 92 18.956 6.729 -6.115 1.00 25.86 C ATOM 1414 CG2 VAL A 92 20.086 8.719 -7.143 1.00 25.86 C ATOM 1415 HA VAL A 92 17.961 9.281 -5.488 1.00 0.00 H ATOM 1416 HB VAL A 92 20.635 7.776 -5.311 1.00 0.00 H ATOM 1417 HG11 VAL A 92 18.737 6.229 -5.172 1.00 0.00 H ATOM 1418 HG12 VAL A 92 18.024 6.959 -6.630 1.00 0.00 H ATOM 1419 HG13 VAL A 92 19.567 6.078 -6.740 1.00 0.00 H ATOM 1420 HG21 VAL A 92 19.178 8.987 -7.683 1.00 0.00 H ATOM 1421 HG22 VAL A 92 20.657 9.620 -6.920 1.00 0.00 H ATOM 1422 HG23 VAL A 92 20.689 8.047 -7.754 1.00 0.00 H ATOM 1423 H VAL A 92 20.564 10.127 -4.305 1.00 0.00 H ATOM 1424 N HIS A 93 17.141 7.863 -3.621 1.00 25.86 N ATOM 1425 CA HIS A 93 16.568 7.108 -2.502 1.00 25.86 C ATOM 1426 C HIS A 93 16.058 5.769 -3.054 1.00 25.86 C ATOM 1427 O HIS A 93 15.216 5.738 -3.951 1.00 25.86 O ATOM 1428 CB HIS A 93 15.405 7.902 -1.896 1.00 25.86 C ATOM 1429 CG HIS A 93 14.908 7.377 -0.583 1.00 25.86 C ATOM 1430 ND1 HIS A 93 15.069 6.066 -0.189 1.00 25.86 N ATOM 1431 CD2 HIS A 93 14.182 7.975 0.392 1.00 25.86 C ATOM 1432 CE1 HIS A 93 14.460 5.877 0.969 1.00 25.86 C ATOM 1433 NE2 HIS A 93 13.913 7.019 1.344 1.00 25.86 N ATOM 1434 HA HIS A 93 17.314 6.937 -1.726 1.00 0.00 H ATOM 1435 HB2 HIS A 93 15.735 8.930 -1.748 1.00 0.00 H ATOM 1436 HB3 HIS A 93 14.577 7.886 -2.604 1.00 0.00 H ATOM 1437 HD2 HIS A 93 13.869 9.019 0.417 1.00 0.00 H ATOM 1438 HE1 HIS A 93 14.417 4.938 1.521 1.00 0.00 H ATOM 1439 H HIS A 93 16.507 8.171 -4.385 1.00 0.00 H ATOM 1440 N ILE A 94 16.574 4.666 -2.517 1.00 25.86 N ATOM 1441 CA ILE A 94 16.184 3.331 -2.967 1.00 25.86 C ATOM 1442 C ILE A 94 15.591 2.511 -1.809 1.00 25.86 C ATOM 1443 O ILE A 94 16.166 2.444 -0.713 1.00 25.86 O ATOM 1444 CB ILE A 94 17.418 2.587 -3.589 1.00 25.86 C ATOM 1445 CG1 ILE A 94 17.934 3.368 -4.809 1.00 25.86 C ATOM 1446 CG2 ILE A 94 17.041 1.154 -3.991 1.00 25.86 C ATOM 1447 CD1 ILE A 94 19.235 2.809 -5.430 1.00 25.86 C ATOM 1448 HA ILE A 94 15.415 3.439 -3.732 1.00 0.00 H ATOM 1449 HB ILE A 94 18.209 2.532 -2.841 1.00 0.00 H ATOM 1450 HG12 ILE A 94 17.158 3.354 -5.575 1.00 0.00 H ATOM 1451 HG13 ILE A 94 18.119 4.397 -4.500 1.00 0.00 H ATOM 1452 HD11 ILE A 94 20.029 2.827 -4.684 1.00 0.00 H ATOM 1453 HD12 ILE A 94 19.068 1.783 -5.759 1.00 0.00 H ATOM 1454 HD13 ILE A 94 19.522 3.423 -6.283 1.00 0.00 H ATOM 1455 HG21 ILE A 94 16.706 0.607 -3.110 1.00 0.00 H ATOM 1456 HG22 ILE A 94 16.239 1.184 -4.728 1.00 0.00 H ATOM 1457 HG23 ILE A 94 17.911 0.657 -4.420 1.00 0.00 H ATOM 1458 H ILE A 94 17.276 4.757 -1.755 1.00 0.00 H ATOM 1459 N GLN A 95 14.436 1.902 -2.060 1.00 25.86 N ATOM 1460 CA GLN A 95 13.744 1.093 -1.061 1.00 25.86 C ATOM 1461 C GLN A 95 13.560 -0.356 -1.532 1.00 25.86 C ATOM 1462 O GLN A 95 13.072 -0.599 -2.628 1.00 25.86 O ATOM 1463 CB GLN A 95 12.379 1.714 -0.747 1.00 25.86 C ATOM 1464 CG GLN A 95 12.431 3.051 -0.007 1.00 25.86 C ATOM 1465 CD GLN A 95 11.046 3.654 0.186 1.00 25.86 C ATOM 1466 OE1 GLN A 95 10.857 4.597 0.960 1.00 25.86 O ATOM 1467 NE2 GLN A 95 10.073 3.113 -0.524 1.00 25.86 N ATOM 1468 HA GLN A 95 14.359 1.075 -0.161 1.00 0.00 H ATOM 1469 HB2 GLN A 95 11.853 1.869 -1.689 1.00 0.00 H ATOM 1470 HB3 GLN A 95 11.820 1.009 -0.132 1.00 0.00 H ATOM 1471 HG2 GLN A 95 12.886 2.894 0.971 1.00 0.00 H ATOM 1472 HG3 GLN A 95 13.041 3.748 -0.582 1.00 0.00 H ATOM 1473 HE22 GLN A 95 10.276 2.319 -1.165 1.00 0.00 H ATOM 1474 HE21 GLN A 95 9.104 3.481 -0.443 1.00 0.00 H ATOM 1475 H GLN A 95 14.010 2.006 -3.003 1.00 0.00 H ATOM 1476 N LYS A 96 13.942 -1.314 -0.690 1.00 25.86 N ATOM 1477 CA LYS A 96 13.830 -2.727 -1.041 1.00 25.86 C ATOM 1478 C LYS A 96 13.047 -3.535 -0.009 1.00 25.86 C ATOM 1479 O LYS A 96 13.430 -3.593 1.157 1.00 25.86 O ATOM 1480 CB LYS A 96 15.225 -3.342 -1.194 1.00 25.86 C ATOM 1481 CG LYS A 96 16.127 -2.611 -2.166 1.00 25.86 C ATOM 1482 CD LYS A 96 17.551 -3.185 -2.142 1.00 25.86 C ATOM 1483 CE LYS A 96 18.486 -2.382 -3.026 1.00 25.86 C ATOM 1484 NZ LYS A 96 19.865 -2.934 -3.062 1.00 25.86 N ATOM 1485 HA LYS A 96 13.283 -2.770 -1.983 1.00 0.00 H ATOM 1486 HB2 LYS A 96 15.707 -3.343 -0.216 1.00 0.00 H ATOM 1487 HB3 LYS A 96 15.109 -4.369 -1.542 1.00 0.00 H ATOM 1488 HG2 LYS A 96 15.720 -2.710 -3.172 1.00 0.00 H ATOM 1489 HG3 LYS A 96 16.164 -1.556 -1.893 1.00 0.00 H ATOM 1490 HD2 LYS A 96 17.925 -3.164 -1.118 1.00 0.00 H ATOM 1491 HD3 LYS A 96 17.524 -4.215 -2.497 1.00 0.00 H ATOM 1492 HE2 LYS A 96 18.530 -1.360 -2.649 1.00 0.00 H ATOM 1493 HE3 LYS A 96 18.087 -2.376 -4.040 1.00 0.00 H ATOM 1494 HZ1 LYS A 96 20.261 -2.936 -2.101 1.00 0.00 H ATOM 1495 HZ2 LYS A 96 19.838 -3.907 -3.429 1.00 0.00 H ATOM 1496 HZ3 LYS A 96 20.457 -2.344 -3.681 1.00 0.00 H ATOM 1497 H LYS A 96 14.329 -1.050 0.239 1.00 0.00 H ATOM 1498 N TRP A 97 11.961 -4.165 -0.457 1.00 25.86 N ATOM 1499 CA TRP A 97 11.107 -4.994 0.397 1.00 25.86 C ATOM 1500 C TRP A 97 10.506 -6.125 -0.445 1.00 25.86 C ATOM 1501 O TRP A 97 10.324 -5.967 -1.658 1.00 25.86 O ATOM 1502 CB TRP A 97 9.982 -4.152 1.010 1.00 25.86 C ATOM 1503 CG TRP A 97 8.878 -3.824 0.054 1.00 25.86 C ATOM 1504 CD1 TRP A 97 7.632 -4.385 0.020 1.00 25.86 C ATOM 1505 CD2 TRP A 97 8.931 -2.896 -1.043 1.00 25.86 C ATOM 1506 NE1 TRP A 97 6.908 -3.867 -1.031 1.00 25.86 N ATOM 1507 CE2 TRP A 97 7.680 -2.952 -1.699 1.00 25.86 C ATOM 1508 CE3 TRP A 97 9.914 -2.023 -1.534 1.00 25.86 C ATOM 1509 CZ2 TRP A 97 7.385 -2.166 -2.825 1.00 25.86 C ATOM 1510 CZ3 TRP A 97 9.619 -1.240 -2.658 1.00 25.86 C ATOM 1511 CH2 TRP A 97 8.366 -1.319 -3.285 1.00 25.86 C ATOM 1512 HA TRP A 97 11.707 -5.411 1.206 1.00 0.00 H ATOM 1513 HB2 TRP A 97 9.557 -4.705 1.848 1.00 0.00 H ATOM 1514 HB3 TRP A 97 10.411 -3.218 1.372 1.00 0.00 H ATOM 1515 HE1 TRP A 97 5.932 -4.128 -1.278 1.00 0.00 H ATOM 1516 HD1 TRP A 97 7.265 -5.133 0.722 1.00 0.00 H ATOM 1517 HZ2 TRP A 97 6.414 -2.225 -3.316 1.00 0.00 H ATOM 1518 HH2 TRP A 97 8.166 -0.695 -4.156 1.00 0.00 H ATOM 1519 HZ3 TRP A 97 10.374 -0.559 -3.051 1.00 0.00 H ATOM 1520 HE3 TRP A 97 10.888 -1.955 -1.050 1.00 0.00 H ATOM 1521 H TRP A 97 11.708 -4.063 -1.461 1.00 0.00 H ATOM 1522 N ASP A 98 10.200 -7.256 0.193 1.00 25.86 N ATOM 1523 CA ASP A 98 9.616 -8.414 -0.501 1.00 25.86 C ATOM 1524 C ASP A 98 10.161 -8.611 -1.915 1.00 25.86 C ATOM 1525 O ASP A 98 9.387 -8.678 -2.874 1.00 25.86 O ATOM 1526 CB ASP A 98 8.088 -8.295 -0.604 1.00 25.86 C ATOM 1527 CG ASP A 98 7.426 -8.053 0.730 1.00 25.86 C ATOM 1528 OD1 ASP A 98 8.022 -8.424 1.768 1.00 25.86 O ATOM 1529 OD2 ASP A 98 6.298 -7.504 0.745 1.00 25.86 O ATOM 1530 HA ASP A 98 9.898 -9.274 0.107 1.00 0.00 H ATOM 1531 HB2 ASP A 98 7.848 -7.464 -1.268 1.00 0.00 H ATOM 1532 HB3 ASP A 98 7.695 -9.220 -1.025 1.00 0.00 H ATOM 1533 H ASP A 98 10.380 -7.321 1.215 1.00 0.00 H ATOM 1534 N GLY A 99 11.482 -8.694 -2.040 1.00 25.86 N ATOM 1535 CA GLY A 99 12.100 -8.887 -3.337 1.00 25.86 C ATOM 1536 C GLY A 99 11.780 -7.797 -4.343 1.00 25.86 C ATOM 1537 O GLY A 99 11.952 -7.985 -5.542 1.00 25.86 O ATOM 1538 HA3 GLY A 99 11.757 -9.839 -3.742 1.00 0.00 H ATOM 1539 HA2 GLY A 99 13.181 -8.921 -3.200 1.00 0.00 H ATOM 1540 H GLY A 99 12.082 -8.619 -1.194 1.00 0.00 H ATOM 1541 N LYS A 100 11.319 -6.650 -3.860 1.00 25.86 N ATOM 1542 CA LYS A 100 10.976 -5.541 -4.744 1.00 25.86 C ATOM 1543 C LYS A 100 11.909 -4.342 -4.563 1.00 25.86 C ATOM 1544 O LYS A 100 12.717 -4.287 -3.626 1.00 25.86 O ATOM 1545 CB LYS A 100 9.533 -5.105 -4.502 1.00 25.86 C ATOM 1546 CG LYS A 100 8.494 -6.163 -4.781 1.00 25.86 C ATOM 1547 CD LYS A 100 7.144 -5.715 -4.248 1.00 25.86 C ATOM 1548 CE LYS A 100 6.028 -6.649 -4.672 1.00 25.86 C ATOM 1549 NZ LYS A 100 6.211 -8.056 -4.199 1.00 25.86 N ATOM 1550 HA LYS A 100 11.092 -5.899 -5.767 1.00 0.00 H ATOM 1551 HB2 LYS A 100 9.440 -4.806 -3.458 1.00 0.00 H ATOM 1552 HB3 LYS A 100 9.326 -4.249 -5.144 1.00 0.00 H ATOM 1553 HG2 LYS A 100 8.423 -6.325 -5.857 1.00 0.00 H ATOM 1554 HG3 LYS A 100 8.785 -7.093 -4.293 1.00 0.00 H ATOM 1555 HD2 LYS A 100 7.186 -5.688 -3.159 1.00 0.00 H ATOM 1556 HD3 LYS A 100 6.930 -4.716 -4.627 1.00 0.00 H ATOM 1557 HE2 LYS A 100 5.979 -6.655 -5.761 1.00 0.00 H ATOM 1558 HE3 LYS A 100 5.089 -6.269 -4.269 1.00 0.00 H ATOM 1559 HZ1 LYS A 100 7.099 -8.437 -4.584 1.00 0.00 H ATOM 1560 HZ2 LYS A 100 6.249 -8.069 -3.160 1.00 0.00 H ATOM 1561 HZ3 LYS A 100 5.412 -8.637 -4.525 1.00 0.00 H ATOM 1562 H LYS A 100 11.200 -6.540 -2.833 1.00 0.00 H ATOM 1563 N GLU A 101 11.777 -3.379 -5.470 1.00 25.86 N ATOM 1564 CA GLU A 101 12.590 -2.174 -5.446 1.00 25.86 C ATOM 1565 C GLU A 101 11.915 -0.972 -6.140 1.00 25.86 C ATOM 1566 O GLU A 101 11.441 -1.072 -7.281 1.00 25.86 O ATOM 1567 CB GLU A 101 13.933 -2.464 -6.128 1.00 25.86 C ATOM 1568 CG GLU A 101 14.989 -1.396 -5.935 1.00 25.86 C ATOM 1569 CD GLU A 101 16.209 -1.602 -6.819 1.00 25.86 C ATOM 1570 OE1 GLU A 101 16.738 -2.739 -6.858 1.00 25.86 O ATOM 1571 OE2 GLU A 101 16.647 -0.620 -7.467 1.00 25.86 O ATOM 1572 HA GLU A 101 12.729 -1.899 -4.400 1.00 0.00 H ATOM 1573 HB2 GLU A 101 14.321 -3.401 -5.728 1.00 0.00 H ATOM 1574 HB3 GLU A 101 13.753 -2.574 -7.197 1.00 0.00 H ATOM 1575 HG2 GLU A 101 14.550 -0.426 -6.169 1.00 0.00 H ATOM 1576 HG3 GLU A 101 15.309 -1.407 -4.893 1.00 0.00 H ATOM 1577 H GLU A 101 11.068 -3.492 -6.222 1.00 0.00 H ATOM 1578 N THR A 102 11.858 0.155 -5.436 1.00 25.86 N ATOM 1579 CA THR A 102 11.321 1.392 -5.993 1.00 25.86 C ATOM 1580 C THR A 102 12.348 2.464 -5.624 1.00 25.86 C ATOM 1581 O THR A 102 13.067 2.320 -4.629 1.00 25.86 O ATOM 1582 CB THR A 102 9.928 1.753 -5.415 1.00 25.86 C ATOM 1583 OG1 THR A 102 9.392 2.880 -6.132 1.00 25.86 O ATOM 1584 CG2 THR A 102 10.026 2.083 -3.928 1.00 25.86 C ATOM 1585 HA THR A 102 11.169 1.299 -7.068 1.00 0.00 H ATOM 1586 HB THR A 102 9.267 0.894 -5.531 1.00 0.00 H ATOM 1587 HG1 THR A 102 8.503 3.111 -5.764 1.00 0.00 H ATOM 1588 HG23 THR A 102 10.433 1.225 -3.393 1.00 0.00 H ATOM 1589 HG21 THR A 102 10.682 2.943 -3.790 1.00 0.00 H ATOM 1590 HG22 THR A 102 9.033 2.316 -3.543 1.00 0.00 H ATOM 1591 H THR A 102 12.208 0.154 -4.457 1.00 0.00 H ATOM 1592 N ASN A 103 12.453 3.515 -6.429 1.00 25.86 N ATOM 1593 CA ASN A 103 13.428 4.562 -6.140 1.00 25.86 C ATOM 1594 C ASN A 103 12.940 5.983 -6.406 1.00 25.86 C ATOM 1595 O ASN A 103 12.099 6.210 -7.291 1.00 25.86 O ATOM 1596 CB ASN A 103 14.725 4.310 -6.923 1.00 25.86 C ATOM 1597 CG ASN A 103 14.640 4.750 -8.380 1.00 25.86 C ATOM 1598 OD1 ASN A 103 14.674 5.937 -8.679 1.00 25.86 O ATOM 1599 ND2 ASN A 103 14.536 3.788 -9.290 1.00 25.86 N ATOM 1600 HA ASN A 103 13.603 4.501 -5.066 1.00 0.00 H ATOM 1601 HB2 ASN A 103 15.534 4.860 -6.441 1.00 0.00 H ATOM 1602 HB3 ASN A 103 14.946 3.243 -6.895 1.00 0.00 H ATOM 1603 HD22 ASN A 103 14.511 2.792 -8.993 1.00 0.00 H ATOM 1604 HD21 ASN A 103 14.480 4.031 -10.300 1.00 0.00 H ATOM 1605 H ASN A 103 11.840 3.592 -7.266 1.00 0.00 H ATOM 1606 N PHE A 104 13.461 6.923 -5.615 1.00 25.86 N ATOM 1607 CA PHE A 104 13.130 8.335 -5.771 1.00 25.86 C ATOM 1608 C PHE A 104 14.386 9.127 -6.130 1.00 25.86 C ATOM 1609 O PHE A 104 15.468 8.934 -5.553 1.00 25.86 O ATOM 1610 CB PHE A 104 12.578 8.962 -4.431 1.00 25.86 C ATOM 1611 CG PHE A 104 11.616 8.213 -3.562 1.00 25.86 C ATOM 1612 CD1 PHE A 104 10.711 7.400 -4.233 1.00 25.86 C ATOM 1613 CD2 PHE A 104 11.672 8.153 -2.170 1.00 25.86 C ATOM 1614 CE1 PHE A 104 9.871 6.544 -3.530 1.00 25.86 C ATOM 1615 CE2 PHE A 104 10.836 7.301 -1.458 1.00 25.86 C ATOM 1616 CZ PHE A 104 9.931 6.494 -2.143 1.00 25.86 C ATOM 1617 HA PHE A 104 12.372 8.392 -6.552 1.00 0.00 H ATOM 1618 HB2 PHE A 104 13.447 9.182 -3.811 1.00 0.00 H ATOM 1619 HB3 PHE A 104 12.085 9.894 -4.706 1.00 0.00 H ATOM 1620 HD2 PHE A 104 12.381 8.783 -1.633 1.00 0.00 H ATOM 1621 HE2 PHE A 104 10.888 7.265 -0.370 1.00 0.00 H ATOM 1622 HZ PHE A 104 9.271 5.824 -1.592 1.00 0.00 H ATOM 1623 HE1 PHE A 104 9.165 5.911 -4.068 1.00 0.00 H ATOM 1624 HD1 PHE A 104 10.659 7.434 -5.321 1.00 0.00 H ATOM 1625 H PHE A 104 14.123 6.640 -4.865 1.00 0.00 H ATOM 1626 N VAL A 105 14.231 10.025 -7.086 1.00 25.86 N ATOM 1627 CA VAL A 105 15.322 10.881 -7.489 1.00 25.86 C ATOM 1628 C VAL A 105 14.874 12.307 -7.170 1.00 25.86 C ATOM 1629 O VAL A 105 13.774 12.741 -7.552 1.00 25.86 O ATOM 1630 CB VAL A 105 15.642 10.737 -8.995 1.00 25.86 C ATOM 1631 CG1 VAL A 105 16.786 11.672 -9.376 1.00 25.86 C ATOM 1632 CG2 VAL A 105 16.024 9.291 -9.312 1.00 25.86 C ATOM 1633 HA VAL A 105 16.237 10.612 -6.961 1.00 0.00 H ATOM 1634 HB VAL A 105 14.757 11.005 -9.572 1.00 0.00 H ATOM 1635 HG11 VAL A 105 16.497 12.702 -9.167 1.00 0.00 H ATOM 1636 HG12 VAL A 105 17.672 11.416 -8.794 1.00 0.00 H ATOM 1637 HG13 VAL A 105 17.004 11.563 -10.438 1.00 0.00 H ATOM 1638 HG21 VAL A 105 16.902 9.013 -8.730 1.00 0.00 H ATOM 1639 HG22 VAL A 105 15.194 8.633 -9.057 1.00 0.00 H ATOM 1640 HG23 VAL A 105 16.247 9.200 -10.375 1.00 0.00 H ATOM 1641 H VAL A 105 13.308 10.117 -7.556 1.00 0.00 H ATOM 1642 N ARG A 106 15.711 13.012 -6.423 1.00 25.86 N ATOM 1643 CA ARG A 106 15.437 14.383 -6.048 1.00 25.86 C ATOM 1644 C ARG A 106 16.572 15.193 -6.658 1.00 25.86 C ATOM 1645 O ARG A 106 17.740 14.883 -6.439 1.00 25.86 O ATOM 1646 CB ARG A 106 15.441 14.547 -4.526 1.00 25.86 C ATOM 1647 CG ARG A 106 14.322 13.829 -3.771 1.00 25.86 C ATOM 1648 CD ARG A 106 14.420 14.163 -2.283 1.00 25.86 C ATOM 1649 NE ARG A 106 13.316 13.633 -1.465 1.00 25.86 N ATOM 1650 CZ ARG A 106 13.063 12.623 -0.635 1.00 25.86 C ATOM 1651 NH1 ARG A 106 14.022 12.097 0.109 1.00 25.86 N ATOM 1652 NH2 ARG A 106 11.832 12.156 -0.530 1.00 25.86 N ATOM 1653 HA ARG A 106 14.456 14.705 -6.398 1.00 0.00 H ATOM 1654 HB2 ARG A 106 16.392 14.168 -4.152 1.00 0.00 H ATOM 1655 HB3 ARG A 106 15.363 15.611 -4.305 1.00 0.00 H ATOM 1656 HG2 ARG A 106 13.356 14.156 -4.155 1.00 0.00 H ATOM 1657 HG3 ARG A 106 14.421 12.752 -3.910 1.00 0.00 H ATOM 1658 HD2 ARG A 106 14.432 15.248 -2.177 1.00 0.00 H ATOM 1659 HD3 ARG A 106 15.355 13.751 -1.902 1.00 0.00 H ATOM 1660 HE ARG A 106 12.473 14.233 -1.567 1.00 0.00 H ATOM 1661 HH12 ARG A 106 13.808 11.308 0.752 1.00 0.00 H ATOM 1662 HH11 ARG A 106 14.990 12.472 0.051 1.00 0.00 H ATOM 1663 HH22 ARG A 106 11.628 11.367 0.117 1.00 0.00 H ATOM 1664 HH21 ARG A 106 11.066 12.577 -1.094 1.00 0.00 H ATOM 1665 H ARG A 106 16.592 12.567 -6.096 1.00 0.00 H ATOM 1666 N GLU A 107 16.232 16.208 -7.446 1.00 25.86 N ATOM 1667 CA GLU A 107 17.246 17.053 -8.073 1.00 25.86 C ATOM 1668 C GLU A 107 16.719 18.465 -8.163 1.00 25.86 C ATOM 1669 O GLU A 107 15.516 18.672 -8.301 1.00 25.86 O ATOM 1670 CB GLU A 107 17.619 16.533 -9.475 1.00 25.86 C ATOM 1671 CG GLU A 107 16.482 16.510 -10.482 1.00 25.86 C ATOM 1672 CD GLU A 107 16.889 15.903 -11.829 1.00 25.86 C ATOM 1673 OE1 GLU A 107 17.807 16.444 -12.479 1.00 25.86 O ATOM 1674 OE2 GLU A 107 16.290 14.889 -12.242 1.00 25.86 O ATOM 1675 HA GLU A 107 18.149 17.031 -7.464 1.00 0.00 H ATOM 1676 HB2 GLU A 107 18.408 17.171 -9.872 1.00 0.00 H ATOM 1677 HB3 GLU A 107 17.995 15.516 -9.368 1.00 0.00 H ATOM 1678 HG2 GLU A 107 15.663 15.922 -10.069 1.00 0.00 H ATOM 1679 HG3 GLU A 107 16.145 17.533 -10.649 1.00 0.00 H ATOM 1680 H GLU A 107 15.226 16.404 -7.620 1.00 0.00 H ATOM 1681 N ILE A 108 17.625 19.433 -8.065 1.00 25.86 N ATOM 1682 CA ILE A 108 17.263 20.844 -8.128 1.00 25.86 C ATOM 1683 C ILE A 108 17.116 21.284 -9.584 1.00 25.86 C ATOM 1684 O ILE A 108 18.045 21.164 -10.378 1.00 25.86 O ATOM 1685 CB ILE A 108 18.327 21.721 -7.426 1.00 25.86 C ATOM 1686 CG1 ILE A 108 18.519 21.256 -5.976 1.00 25.86 C ATOM 1687 CG2 ILE A 108 17.914 23.175 -7.476 1.00 25.86 C ATOM 1688 CD1 ILE A 108 17.231 21.083 -5.194 1.00 25.86 C ATOM 1689 HA ILE A 108 16.312 20.972 -7.612 1.00 0.00 H ATOM 1690 HB ILE A 108 19.278 21.617 -7.947 1.00 0.00 H ATOM 1691 HG12 ILE A 108 19.039 20.298 -5.992 1.00 0.00 H ATOM 1692 HG13 ILE A 108 19.134 21.994 -5.460 1.00 0.00 H ATOM 1693 HD11 ILE A 108 16.701 22.035 -5.154 1.00 0.00 H ATOM 1694 HD12 ILE A 108 16.606 20.338 -5.686 1.00 0.00 H ATOM 1695 HD13 ILE A 108 17.464 20.753 -4.182 1.00 0.00 H ATOM 1696 HG21 ILE A 108 17.819 23.489 -8.516 1.00 0.00 H ATOM 1697 HG22 ILE A 108 16.957 23.297 -6.969 1.00 0.00 H ATOM 1698 HG23 ILE A 108 18.670 23.783 -6.979 1.00 0.00 H ATOM 1699 H ILE A 108 18.625 19.175 -7.939 1.00 0.00 H ATOM 1700 N LYS A 109 15.940 21.801 -9.925 1.00 25.86 N ATOM 1701 CA LYS A 109 15.672 22.224 -11.293 1.00 25.86 C ATOM 1702 C LYS A 109 15.018 23.601 -11.371 1.00 25.86 C ATOM 1703 O LYS A 109 13.881 23.788 -10.920 1.00 25.86 O ATOM 1704 CB LYS A 109 14.765 21.195 -11.975 1.00 25.86 C ATOM 1705 CG LYS A 109 15.058 20.990 -13.428 1.00 25.86 C ATOM 1706 CD LYS A 109 16.382 20.264 -13.612 1.00 25.86 C ATOM 1707 CE LYS A 109 16.947 20.511 -15.012 1.00 25.86 C ATOM 1708 NZ LYS A 109 18.198 19.720 -15.285 1.00 25.86 N ATOM 1709 HA LYS A 109 16.633 22.293 -11.802 1.00 0.00 H ATOM 1710 HB2 LYS A 109 14.885 20.240 -11.463 1.00 0.00 H ATOM 1711 HB3 LYS A 109 13.733 21.531 -11.878 1.00 0.00 H ATOM 1712 HG2 LYS A 109 14.259 20.397 -13.874 1.00 0.00 H ATOM 1713 HG3 LYS A 109 15.109 21.960 -13.923 1.00 0.00 H ATOM 1714 HD2 LYS A 109 17.094 20.625 -12.870 1.00 0.00 H ATOM 1715 HD3 LYS A 109 16.226 19.194 -13.473 1.00 0.00 H ATOM 1716 HE2 LYS A 109 17.177 21.572 -15.113 1.00 0.00 H ATOM 1717 HE3 LYS A 109 16.191 20.233 -15.747 1.00 0.00 H ATOM 1718 HZ1 LYS A 109 18.931 19.983 -14.595 1.00 0.00 H ATOM 1719 HZ2 LYS A 109 17.990 18.705 -15.201 1.00 0.00 H ATOM 1720 HZ3 LYS A 109 18.535 19.927 -16.247 1.00 0.00 H ATOM 1721 H LYS A 109 15.199 21.905 -9.203 1.00 0.00 H ATOM 1722 N ASP A 110 15.757 24.551 -11.947 1.00 25.86 N ATOM 1723 CA ASP A 110 15.299 25.925 -12.151 1.00 25.86 C ATOM 1724 C ASP A 110 14.633 26.527 -10.931 1.00 25.86 C ATOM 1725 O ASP A 110 13.530 27.065 -11.020 1.00 25.86 O ATOM 1726 CB ASP A 110 14.338 25.982 -13.356 1.00 25.86 C ATOM 1727 CG ASP A 110 14.103 27.413 -13.866 1.00 25.86 C ATOM 1728 OD1 ASP A 110 15.009 28.266 -13.705 1.00 25.86 O ATOM 1729 OD2 ASP A 110 13.022 27.679 -14.438 1.00 25.86 O ATOM 1730 HA ASP A 110 16.189 26.524 -12.345 1.00 0.00 H ATOM 1731 HB2 ASP A 110 14.761 25.388 -14.167 1.00 0.00 H ATOM 1732 HB3 ASP A 110 13.380 25.557 -13.057 1.00 0.00 H ATOM 1733 H ASP A 110 16.713 24.300 -12.269 1.00 0.00 H ATOM 1734 N GLY A 111 15.307 26.433 -9.793 1.00 25.86 N ATOM 1735 CA GLY A 111 14.759 26.976 -8.566 1.00 25.86 C ATOM 1736 C GLY A 111 14.037 25.966 -7.688 1.00 25.86 C ATOM 1737 O GLY A 111 14.083 26.075 -6.465 1.00 25.86 O ATOM 1738 HA3 GLY A 111 14.052 27.763 -8.829 1.00 0.00 H ATOM 1739 HA2 GLY A 111 15.579 27.403 -7.988 1.00 0.00 H ATOM 1740 H GLY A 111 16.236 25.966 -9.781 1.00 0.00 H ATOM 1741 N LYS A 112 13.391 24.971 -8.293 1.00 25.86 N ATOM 1742 CA LYS A 112 12.639 23.985 -7.521 1.00 25.86 C ATOM 1743 C LYS A 112 13.257 22.591 -7.363 1.00 25.86 C ATOM 1744 O LYS A 112 14.236 22.236 -8.021 1.00 25.86 O ATOM 1745 CB LYS A 112 11.238 23.816 -8.117 1.00 25.86 C ATOM 1746 CG LYS A 112 10.445 25.103 -8.301 1.00 25.86 C ATOM 1747 CD LYS A 112 8.978 24.796 -8.635 1.00 25.86 C ATOM 1748 CE LYS A 112 8.209 26.033 -9.112 1.00 25.86 C ATOM 1749 NZ LYS A 112 8.667 26.479 -10.464 1.00 25.86 N ATOM 1750 HA LYS A 112 12.635 24.410 -6.517 1.00 0.00 H ATOM 1751 HB2 LYS A 112 11.343 23.343 -9.093 1.00 0.00 H ATOM 1752 HB3 LYS A 112 10.669 23.162 -7.457 1.00 0.00 H ATOM 1753 HG2 LYS A 112 10.488 25.685 -7.380 1.00 0.00 H ATOM 1754 HG3 LYS A 112 10.884 25.680 -9.115 1.00 0.00 H ATOM 1755 HD2 LYS A 112 8.949 24.042 -9.422 1.00 0.00 H ATOM 1756 HD3 LYS A 112 8.491 24.405 -7.742 1.00 0.00 H ATOM 1757 HE2 LYS A 112 8.366 26.843 -8.400 1.00 0.00 H ATOM 1758 HE3 LYS A 112 7.147 25.793 -9.159 1.00 0.00 H ATOM 1759 HZ1 LYS A 112 9.679 26.716 -10.425 1.00 0.00 H ATOM 1760 HZ2 LYS A 112 8.515 25.713 -11.150 1.00 0.00 H ATOM 1761 HZ3 LYS A 112 8.124 27.318 -10.753 1.00 0.00 H ATOM 1762 H LYS A 112 13.422 24.895 -9.330 1.00 0.00 H ATOM 1763 N MET A 113 12.664 21.804 -6.473 1.00 25.86 N ATOM 1764 CA MET A 113 13.120 20.442 -6.262 1.00 25.86 C ATOM 1765 C MET A 113 12.162 19.530 -7.010 1.00 25.86 C ATOM 1766 O MET A 113 10.967 19.514 -6.723 1.00 25.86 O ATOM 1767 CB MET A 113 13.105 20.065 -4.786 1.00 25.86 C ATOM 1768 CG MET A 113 13.389 18.587 -4.557 1.00 25.86 C ATOM 1769 SD MET A 113 13.652 18.163 -2.826 1.00 25.86 S ATOM 1770 CE MET A 113 11.991 17.967 -2.264 1.00 25.86 C ATOM 1771 HA MET A 113 14.146 20.345 -6.618 1.00 0.00 H ATOM 1772 HB2 MET A 113 13.864 20.651 -4.268 1.00 0.00 H ATOM 1773 HB3 MET A 113 12.123 20.300 -4.375 1.00 0.00 H ATOM 1774 HG2 MET A 113 14.284 18.317 -5.118 1.00 0.00 H ATOM 1775 HG3 MET A 113 12.541 18.011 -4.928 1.00 0.00 H ATOM 1776 HE1 MET A 113 11.449 18.902 -2.404 1.00 0.00 H ATOM 1777 HE2 MET A 113 11.506 17.175 -2.836 1.00 0.00 H ATOM 1778 HE3 MET A 113 11.995 17.703 -1.207 1.00 0.00 H ATOM 1779 H MET A 113 11.862 22.168 -5.920 1.00 0.00 H ATOM 1780 N VAL A 114 12.688 18.786 -7.978 1.00 25.86 N ATOM 1781 CA VAL A 114 11.876 17.864 -8.760 1.00 25.86 C ATOM 1782 C VAL A 114 12.086 16.453 -8.220 1.00 25.86 C ATOM 1783 O VAL A 114 13.210 15.955 -8.157 1.00 25.86 O ATOM 1784 CB VAL A 114 12.273 17.905 -10.262 1.00 25.86 C ATOM 1785 CG1 VAL A 114 11.450 16.891 -11.053 1.00 25.86 C ATOM 1786 CG2 VAL A 114 12.053 19.305 -10.822 1.00 25.86 C ATOM 1787 HA VAL A 114 10.829 18.156 -8.677 1.00 0.00 H ATOM 1788 HB VAL A 114 13.328 17.648 -10.353 1.00 0.00 H ATOM 1789 HG11 VAL A 114 11.635 15.891 -10.662 1.00 0.00 H ATOM 1790 HG12 VAL A 114 10.391 17.130 -10.957 1.00 0.00 H ATOM 1791 HG13 VAL A 114 11.739 16.931 -12.103 1.00 0.00 H ATOM 1792 HG21 VAL A 114 11.002 19.574 -10.721 1.00 0.00 H ATOM 1793 HG22 VAL A 114 12.666 20.017 -10.269 1.00 0.00 H ATOM 1794 HG23 VAL A 114 12.334 19.322 -11.875 1.00 0.00 H ATOM 1795 H VAL A 114 13.705 18.864 -8.182 1.00 0.00 H ATOM 1796 N MET A 115 11.002 15.807 -7.823 1.00 25.86 N ATOM 1797 CA MET A 115 11.103 14.457 -7.292 1.00 25.86 C ATOM 1798 C MET A 115 10.488 13.449 -8.244 1.00 25.86 C ATOM 1799 O MET A 115 9.287 13.474 -8.495 1.00 25.86 O ATOM 1800 CB MET A 115 10.407 14.368 -5.936 1.00 25.86 C ATOM 1801 CG MET A 115 10.526 13.014 -5.268 1.00 25.86 C ATOM 1802 SD MET A 115 9.726 13.052 -3.652 1.00 25.86 S ATOM 1803 CE MET A 115 10.787 14.184 -2.833 1.00 25.86 C ATOM 1804 HA MET A 115 12.161 14.223 -7.173 1.00 0.00 H ATOM 1805 HB2 MET A 115 10.846 15.116 -5.276 1.00 0.00 H ATOM 1806 HB3 MET A 115 9.349 14.588 -6.079 1.00 0.00 H ATOM 1807 HG2 MET A 115 11.580 12.764 -5.144 1.00 0.00 H ATOM 1808 HG3 MET A 115 10.046 12.260 -5.891 1.00 0.00 H ATOM 1809 HE1 MET A 115 11.802 13.786 -2.821 1.00 0.00 H ATOM 1810 HE2 MET A 115 10.776 15.138 -3.361 1.00 0.00 H ATOM 1811 HE3 MET A 115 10.441 14.330 -1.810 1.00 0.00 H ATOM 1812 H MET A 115 10.072 16.267 -7.891 1.00 0.00 H ATOM 1813 N THR A 116 11.319 12.566 -8.778 1.00 25.86 N ATOM 1814 CA THR A 116 10.850 11.533 -9.689 1.00 25.86 C ATOM 1815 C THR A 116 10.773 10.197 -8.946 1.00 25.86 C ATOM 1816 O THR A 116 11.790 9.695 -8.466 1.00 25.86 O ATOM 1817 CB THR A 116 11.802 11.384 -10.885 1.00 25.86 C ATOM 1818 OG1 THR A 116 11.727 12.557 -11.707 1.00 25.86 O ATOM 1819 CG2 THR A 116 11.439 10.146 -11.695 1.00 25.86 C ATOM 1820 HA THR A 116 9.865 11.820 -10.057 1.00 0.00 H ATOM 1821 HB THR A 116 12.822 11.270 -10.519 1.00 0.00 H ATOM 1822 HG1 THR A 116 12.341 12.459 -12.477 1.00 0.00 H ATOM 1823 HG23 THR A 116 11.501 9.265 -11.057 1.00 0.00 H ATOM 1824 HG21 THR A 116 10.424 10.249 -12.078 1.00 0.00 H ATOM 1825 HG22 THR A 116 12.134 10.042 -12.528 1.00 0.00 H ATOM 1826 H THR A 116 12.330 12.612 -8.540 1.00 0.00 H ATOM 1827 N LEU A 117 9.571 9.637 -8.838 1.00 25.86 N ATOM 1828 CA LEU A 117 9.377 8.358 -8.154 1.00 25.86 C ATOM 1829 C LEU A 117 9.075 7.279 -9.186 1.00 25.86 C ATOM 1830 O LEU A 117 8.157 7.421 -9.988 1.00 25.86 O ATOM 1831 CB LEU A 117 8.212 8.436 -7.159 1.00 25.86 C ATOM 1832 CG LEU A 117 8.253 9.526 -6.073 1.00 25.86 C ATOM 1833 CD1 LEU A 117 7.901 10.863 -6.677 1.00 25.86 C ATOM 1834 CD2 LEU A 117 7.266 9.192 -4.964 1.00 25.86 C ATOM 1835 HA LEU A 117 10.288 8.119 -7.606 1.00 0.00 H ATOM 1836 HB2 LEU A 117 7.302 8.591 -7.738 1.00 0.00 H ATOM 1837 HB3 LEU A 117 8.157 7.474 -6.649 1.00 0.00 H ATOM 1838 HG LEU A 117 9.259 9.572 -5.656 1.00 0.00 H ATOM 1839 HD21 LEU A 117 6.260 9.136 -5.379 1.00 0.00 H ATOM 1840 HD22 LEU A 117 7.531 8.232 -4.520 1.00 0.00 H ATOM 1841 HD23 LEU A 117 7.303 9.969 -4.201 1.00 0.00 H ATOM 1842 HD11 LEU A 117 8.619 11.107 -7.460 1.00 0.00 H ATOM 1843 HD12 LEU A 117 6.899 10.815 -7.103 1.00 0.00 H ATOM 1844 HD13 LEU A 117 7.932 11.630 -5.903 1.00 0.00 H ATOM 1845 H LEU A 117 8.748 10.121 -9.250 1.00 0.00 H ATOM 1846 N THR A 118 9.844 6.201 -9.180 1.00 25.86 N ATOM 1847 CA THR A 118 9.585 5.140 -10.135 1.00 25.86 C ATOM 1848 C THR A 118 9.542 3.724 -9.577 1.00 25.86 C ATOM 1849 O THR A 118 10.316 3.345 -8.696 1.00 25.86 O ATOM 1850 CB THR A 118 10.577 5.166 -11.297 1.00 25.86 C ATOM 1851 OG1 THR A 118 10.538 3.900 -11.972 1.00 25.86 O ATOM 1852 CG2 THR A 118 11.964 5.434 -10.813 1.00 25.86 C ATOM 1853 HA THR A 118 8.573 5.370 -10.469 1.00 0.00 H ATOM 1854 HB THR A 118 10.296 5.967 -11.981 1.00 0.00 H ATOM 1855 HG1 THR A 118 11.179 3.910 -12.727 1.00 0.00 H ATOM 1856 HG23 THR A 118 11.989 6.396 -10.301 1.00 0.00 H ATOM 1857 HG21 THR A 118 12.265 4.646 -10.123 1.00 0.00 H ATOM 1858 HG22 THR A 118 12.646 5.455 -11.663 1.00 0.00 H ATOM 1859 H THR A 118 10.625 6.116 -8.498 1.00 0.00 H ATOM 1860 N PHE A 119 8.601 2.955 -10.104 1.00 25.86 N ATOM 1861 CA PHE A 119 8.415 1.567 -9.719 1.00 25.86 C ATOM 1862 C PHE A 119 8.248 0.783 -11.016 1.00 25.86 C ATOM 1863 O PHE A 119 7.255 0.945 -11.714 1.00 25.86 O ATOM 1864 CB PHE A 119 7.171 1.418 -8.843 1.00 25.86 C ATOM 1865 CG PHE A 119 6.980 0.033 -8.305 1.00 25.86 C ATOM 1866 CD1 PHE A 119 7.994 -0.584 -7.569 1.00 25.86 C ATOM 1867 CD2 PHE A 119 5.809 -0.670 -8.552 1.00 25.86 C ATOM 1868 CE1 PHE A 119 7.840 -1.881 -7.092 1.00 25.86 C ATOM 1869 CE2 PHE A 119 5.651 -1.974 -8.076 1.00 25.86 C ATOM 1870 CZ PHE A 119 6.668 -2.578 -7.346 1.00 25.86 C ATOM 1871 HA PHE A 119 9.263 1.200 -9.140 1.00 0.00 H ATOM 1872 HB2 PHE A 119 7.257 2.106 -8.002 1.00 0.00 H ATOM 1873 HB3 PHE A 119 6.296 1.681 -9.438 1.00 0.00 H ATOM 1874 HD2 PHE A 119 5.007 -0.201 -9.122 1.00 0.00 H ATOM 1875 HE2 PHE A 119 4.729 -2.519 -8.277 1.00 0.00 H ATOM 1876 HZ PHE A 119 6.545 -3.595 -6.975 1.00 0.00 H ATOM 1877 HE1 PHE A 119 8.640 -2.350 -6.519 1.00 0.00 H ATOM 1878 HD1 PHE A 119 8.918 -0.042 -7.366 1.00 0.00 H ATOM 1879 H PHE A 119 7.969 3.362 -10.823 1.00 0.00 H ATOM 1880 N GLY A 120 9.222 -0.057 -11.345 1.00 25.86 N ATOM 1881 CA GLY A 120 9.129 -0.807 -12.586 1.00 25.86 C ATOM 1882 C GLY A 120 8.982 0.198 -13.719 1.00 25.86 C ATOM 1883 O GLY A 120 9.825 1.083 -13.886 1.00 25.86 O ATOM 1884 HA3 GLY A 120 8.262 -1.466 -12.558 1.00 0.00 H ATOM 1885 HA2 GLY A 120 10.031 -1.401 -12.730 1.00 0.00 H ATOM 1886 H GLY A 120 10.044 -0.177 -10.720 1.00 0.00 H ATOM 1887 N ASP A 121 7.909 0.087 -14.493 1.00 25.86 N ATOM 1888 CA ASP A 121 7.701 1.021 -15.587 1.00 25.86 C ATOM 1889 C ASP A 121 6.725 2.147 -15.252 1.00 25.86 C ATOM 1890 O ASP A 121 6.311 2.902 -16.129 1.00 25.86 O ATOM 1891 CB ASP A 121 7.240 0.268 -16.828 1.00 25.86 C ATOM 1892 CG ASP A 121 8.338 -0.584 -17.421 1.00 25.86 C ATOM 1893 OD1 ASP A 121 9.377 -0.022 -17.837 1.00 25.86 O ATOM 1894 OD2 ASP A 121 8.172 -1.814 -17.461 1.00 25.86 O ATOM 1895 HA ASP A 121 8.661 1.502 -15.776 1.00 0.00 H ATOM 1896 HB2 ASP A 121 6.403 -0.376 -16.557 1.00 0.00 H ATOM 1897 HB3 ASP A 121 6.914 0.991 -17.576 1.00 0.00 H ATOM 1898 H ASP A 121 7.217 -0.669 -14.316 1.00 0.00 H ATOM 1899 N VAL A 122 6.368 2.268 -13.979 1.00 25.86 N ATOM 1900 CA VAL A 122 5.449 3.320 -13.549 1.00 25.86 C ATOM 1901 C VAL A 122 6.224 4.485 -12.951 1.00 25.86 C ATOM 1902 O VAL A 122 7.005 4.317 -12.013 1.00 25.86 O ATOM 1903 CB VAL A 122 4.440 2.779 -12.529 1.00 25.86 C ATOM 1904 CG1 VAL A 122 3.509 3.887 -12.064 1.00 25.86 C ATOM 1905 CG2 VAL A 122 3.642 1.656 -13.168 1.00 25.86 C ATOM 1906 HA VAL A 122 4.900 3.671 -14.423 1.00 0.00 H ATOM 1907 HB VAL A 122 4.975 2.397 -11.659 1.00 0.00 H ATOM 1908 HG11 VAL A 122 4.094 4.680 -11.598 1.00 0.00 H ATOM 1909 HG12 VAL A 122 2.968 4.288 -12.921 1.00 0.00 H ATOM 1910 HG13 VAL A 122 2.800 3.484 -11.341 1.00 0.00 H ATOM 1911 HG21 VAL A 122 3.113 2.039 -14.041 1.00 0.00 H ATOM 1912 HG22 VAL A 122 4.320 0.859 -13.473 1.00 0.00 H ATOM 1913 HG23 VAL A 122 2.923 1.267 -12.447 1.00 0.00 H ATOM 1914 H VAL A 122 6.749 1.603 -13.276 1.00 0.00 H ATOM 1915 N VAL A 123 5.995 5.667 -13.514 1.00 25.86 N ATOM 1916 CA VAL A 123 6.663 6.893 -13.094 1.00 25.86 C ATOM 1917 C VAL A 123 5.704 7.939 -12.533 1.00 25.86 C ATOM 1918 O VAL A 123 4.614 8.131 -13.068 1.00 25.86 O ATOM 1919 CB VAL A 123 7.410 7.548 -14.282 1.00 25.86 C ATOM 1920 CG1 VAL A 123 8.250 8.700 -13.793 1.00 25.86 C ATOM 1921 CG2 VAL A 123 8.282 6.524 -14.980 1.00 25.86 C ATOM 1922 HA VAL A 123 7.354 6.587 -12.308 1.00 0.00 H ATOM 1923 HB VAL A 123 6.676 7.925 -14.994 1.00 0.00 H ATOM 1924 HG11 VAL A 123 7.607 9.442 -13.321 1.00 0.00 H ATOM 1925 HG12 VAL A 123 8.978 8.335 -13.069 1.00 0.00 H ATOM 1926 HG13 VAL A 123 8.770 9.153 -14.637 1.00 0.00 H ATOM 1927 HG21 VAL A 123 9.012 6.128 -14.274 1.00 0.00 H ATOM 1928 HG22 VAL A 123 7.658 5.712 -15.354 1.00 0.00 H ATOM 1929 HG23 VAL A 123 8.801 6.998 -15.813 1.00 0.00 H ATOM 1930 H VAL A 123 5.306 5.720 -14.291 1.00 0.00 H ATOM 1931 N ALA A 124 6.122 8.610 -11.461 1.00 25.86 N ATOM 1932 CA ALA A 124 5.339 9.678 -10.838 1.00 25.86 C ATOM 1933 C ALA A 124 6.293 10.848 -10.575 1.00 25.86 C ATOM 1934 O ALA A 124 7.471 10.647 -10.257 1.00 25.86 O ATOM 1935 CB ALA A 124 4.725 9.208 -9.550 1.00 25.86 C ATOM 1936 HA ALA A 124 4.524 9.982 -11.495 1.00 0.00 H ATOM 1937 HB1 ALA A 124 4.069 8.361 -9.750 1.00 0.00 H ATOM 1938 HB2 ALA A 124 5.514 8.903 -8.863 1.00 0.00 H ATOM 1939 HB3 ALA A 124 4.148 10.020 -9.106 1.00 0.00 H ATOM 1940 H ALA A 124 7.045 8.364 -11.049 1.00 0.00 H ATOM 1941 N VAL A 125 5.787 12.067 -10.730 1.00 25.86 N ATOM 1942 CA VAL A 125 6.596 13.267 -10.529 1.00 25.86 C ATOM 1943 C VAL A 125 5.962 14.201 -9.503 1.00 25.86 C ATOM 1944 O VAL A 125 4.748 14.355 -9.459 1.00 25.86 O ATOM 1945 CB VAL A 125 6.784 14.042 -11.853 1.00 25.86 C ATOM 1946 CG1 VAL A 125 7.589 15.303 -11.606 1.00 25.86 C ATOM 1947 CG2 VAL A 125 7.488 13.165 -12.881 1.00 25.86 C ATOM 1948 HA VAL A 125 7.566 12.932 -10.161 1.00 0.00 H ATOM 1949 HB VAL A 125 5.804 14.318 -12.241 1.00 0.00 H ATOM 1950 HG11 VAL A 125 7.062 15.935 -10.892 1.00 0.00 H ATOM 1951 HG12 VAL A 125 8.566 15.036 -11.204 1.00 0.00 H ATOM 1952 HG13 VAL A 125 7.716 15.841 -12.545 1.00 0.00 H ATOM 1953 HG21 VAL A 125 8.465 12.871 -12.497 1.00 0.00 H ATOM 1954 HG22 VAL A 125 6.887 12.275 -13.070 1.00 0.00 H ATOM 1955 HG23 VAL A 125 7.614 13.724 -13.808 1.00 0.00 H ATOM 1956 H VAL A 125 4.788 12.170 -11.002 1.00 0.00 H ATOM 1957 N ARG A 126 6.797 14.826 -8.684 1.00 25.86 N ATOM 1958 CA ARG A 126 6.329 15.742 -7.655 1.00 25.86 C ATOM 1959 C ARG A 126 7.249 16.950 -7.671 1.00 25.86 C ATOM 1960 O ARG A 126 8.471 16.809 -7.744 1.00 25.86 O ATOM 1961 CB ARG A 126 5.773 14.855 -6.585 1.00 25.86 C ATOM 1962 CG ARG A 126 4.497 14.096 -6.908 1.00 25.86 C ATOM 1963 CD ARG A 126 3.985 13.310 -5.679 1.00 25.86 C ATOM 1964 NE ARG A 126 3.462 14.191 -4.606 1.00 25.86 N ATOM 1965 CZ ARG A 126 3.913 14.227 -3.328 1.00 25.86 C ATOM 1966 NH1 ARG A 126 4.908 13.425 -2.924 1.00 25.86 N ATOM 1967 NH2 ARG A 126 3.425 15.043 -2.383 1.00 25.86 N ATOM 1968 HA ARG A 126 5.464 16.405 -7.650 1.00 0.00 H ATOM 1969 HB2 ARG A 126 6.539 14.120 -6.337 1.00 0.00 H ATOM 1970 HB3 ARG A 126 5.573 15.478 -5.713 1.00 0.00 H ATOM 1971 HG2 ARG A 126 3.731 14.806 -7.221 1.00 0.00 H ATOM 1972 HG3 ARG A 126 4.695 13.396 -7.720 1.00 0.00 H ATOM 1973 HD2 ARG A 126 4.808 12.721 -5.275 1.00 0.00 H ATOM 1974 HD3 ARG A 126 3.186 12.642 -6.001 1.00 0.00 H ATOM 1975 HE ARG A 126 2.684 14.835 -4.855 1.00 0.00 H ATOM 1976 HH12 ARG A 126 5.242 13.466 -1.940 1.00 0.00 H ATOM 1977 HH11 ARG A 126 5.346 12.762 -3.595 1.00 0.00 H ATOM 1978 HH22 ARG A 126 3.819 15.018 -1.421 1.00 0.00 H ATOM 1979 HH21 ARG A 126 2.653 15.701 -2.612 1.00 0.00 H ATOM 1980 H ARG A 126 7.818 14.656 -8.780 1.00 0.00 H ATOM 1981 N HIS A 127 6.658 18.131 -7.600 1.00 25.86 N ATOM 1982 CA HIS A 127 7.423 19.356 -7.588 1.00 25.86 C ATOM 1983 C HIS A 127 7.351 20.013 -6.223 1.00 25.86 C ATOM 1984 O HIS A 127 6.301 20.034 -5.582 1.00 25.86 O ATOM 1985 CB HIS A 127 6.895 20.315 -8.642 1.00 25.86 C ATOM 1986 CG HIS A 127 7.197 19.885 -10.039 1.00 25.86 C ATOM 1987 ND1 HIS A 127 6.763 18.685 -10.558 1.00 25.86 N ATOM 1988 CD2 HIS A 127 7.895 20.492 -11.025 1.00 25.86 C ATOM 1989 CE1 HIS A 127 7.179 18.572 -11.804 1.00 25.86 C ATOM 1990 NE2 HIS A 127 7.869 19.654 -12.113 1.00 25.86 N ATOM 1991 HA HIS A 127 8.462 19.113 -7.811 1.00 0.00 H ATOM 1992 HB2 HIS A 127 5.813 20.391 -8.530 1.00 0.00 H ATOM 1993 HB3 HIS A 127 7.346 21.293 -8.476 1.00 0.00 H ATOM 1994 HD2 HIS A 127 8.386 21.463 -10.967 1.00 0.00 H ATOM 1995 HE1 HIS A 127 6.986 17.728 -12.467 1.00 0.00 H ATOM 1996 H HIS A 127 5.620 18.179 -7.552 1.00 0.00 H ATOM 1997 N TYR A 128 8.481 20.552 -5.788 1.00 25.86 N ATOM 1998 CA TYR A 128 8.560 21.214 -4.501 1.00 25.86 C ATOM 1999 C TYR A 128 9.174 22.595 -4.642 1.00 25.86 C ATOM 2000 O TYR A 128 10.072 22.809 -5.464 1.00 25.86 O ATOM 2001 CB TYR A 128 9.398 20.376 -3.534 1.00 25.86 C ATOM 2002 CG TYR A 128 8.682 19.163 -2.990 1.00 25.86 C ATOM 2003 CD1 TYR A 128 7.722 19.296 -1.989 1.00 25.86 C ATOM 2004 CD2 TYR A 128 8.956 17.879 -3.472 1.00 25.86 C ATOM 2005 CE1 TYR A 128 7.053 18.195 -1.477 1.00 25.86 C ATOM 2006 CE2 TYR A 128 8.280 16.758 -2.958 1.00 25.86 C ATOM 2007 CZ TYR A 128 7.333 16.939 -1.964 1.00 25.86 C ATOM 2008 OH TYR A 128 6.631 15.877 -1.463 1.00 25.86 O ATOM 2009 HA TYR A 128 7.549 21.321 -4.108 1.00 0.00 H ATOM 2010 HB3 TYR A 128 9.687 21.008 -2.695 1.00 0.00 H ATOM 2011 HB2 TYR A 128 10.292 20.039 -4.059 1.00 0.00 H ATOM 2012 HD2 TYR A 128 9.702 17.746 -4.255 1.00 0.00 H ATOM 2013 HE2 TYR A 128 8.499 15.760 -3.337 1.00 0.00 H ATOM 2014 HE1 TYR A 128 6.308 18.324 -0.692 1.00 0.00 H ATOM 2015 HD1 TYR A 128 7.492 20.288 -1.600 1.00 0.00 H ATOM 2016 HH TYR A 128 7.261 15.223 -1.068 1.00 0.00 H ATOM 2017 H TYR A 128 9.331 20.499 -6.384 1.00 0.00 H ATOM 2018 N GLU A 129 8.666 23.527 -3.839 1.00 25.86 N ATOM 2019 CA GLU A 129 9.148 24.899 -3.804 1.00 25.86 C ATOM 2020 C GLU A 129 9.579 25.218 -2.378 1.00 25.86 C ATOM 2021 O GLU A 129 8.938 24.782 -1.427 1.00 25.86 O ATOM 2022 CB GLU A 129 8.050 25.866 -4.258 1.00 25.86 C ATOM 2023 CG GLU A 129 7.840 25.832 -5.777 1.00 25.86 C ATOM 2024 CD GLU A 129 6.992 26.977 -6.314 1.00 25.86 C ATOM 2025 OE1 GLU A 129 5.740 26.928 -6.210 1.00 25.86 O ATOM 2026 OE2 GLU A 129 7.586 27.936 -6.847 1.00 25.86 O ATOM 2027 HA GLU A 129 9.993 25.012 -4.484 1.00 0.00 H ATOM 2028 HB2 GLU A 129 7.116 25.592 -3.768 1.00 0.00 H ATOM 2029 HB3 GLU A 129 8.330 26.878 -3.965 1.00 0.00 H ATOM 2030 HG2 GLU A 129 8.817 25.874 -6.259 1.00 0.00 H ATOM 2031 HG3 GLU A 129 7.350 24.893 -6.034 1.00 0.00 H ATOM 2032 H GLU A 129 7.886 23.261 -3.205 1.00 0.00 H ATOM 2033 N LYS A 130 10.675 25.959 -2.236 1.00 25.86 N ATOM 2034 CA LYS A 130 11.178 26.325 -0.918 1.00 25.86 C ATOM 2035 C LYS A 130 10.179 27.193 -0.164 1.00 25.86 C ATOM 2036 O LYS A 130 9.417 27.952 -0.767 1.00 25.86 O ATOM 2037 CB LYS A 130 12.491 27.097 -1.031 1.00 25.86 C ATOM 2038 CG LYS A 130 13.684 26.283 -1.443 1.00 25.86 C ATOM 2039 CD LYS A 130 14.904 27.175 -1.473 1.00 25.86 C ATOM 2040 CE LYS A 130 16.161 26.396 -1.750 1.00 25.86 C ATOM 2041 NZ LYS A 130 17.340 27.296 -1.632 1.00 25.86 N ATOM 2042 HA LYS A 130 11.338 25.395 -0.373 1.00 0.00 H ATOM 2043 HB2 LYS A 130 12.353 27.889 -1.767 1.00 0.00 H ATOM 2044 HB3 LYS A 130 12.706 27.540 -0.059 1.00 0.00 H ATOM 2045 HG2 LYS A 130 13.840 25.475 -0.728 1.00 0.00 H ATOM 2046 HG3 LYS A 130 13.515 25.862 -2.434 1.00 0.00 H ATOM 2047 HD2 LYS A 130 14.774 27.924 -2.254 1.00 0.00 H ATOM 2048 HD3 LYS A 130 15.002 27.671 -0.508 1.00 0.00 H ATOM 2049 HE2 LYS A 130 16.118 25.983 -2.758 1.00 0.00 H ATOM 2050 HE3 LYS A 130 16.251 25.583 -1.030 1.00 0.00 H ATOM 2051 HZ1 LYS A 130 17.253 28.071 -2.320 1.00 0.00 H ATOM 2052 HZ2 LYS A 130 17.380 27.688 -0.670 1.00 0.00 H ATOM 2053 HZ3 LYS A 130 18.208 26.756 -1.824 1.00 0.00 H ATOM 2054 H LYS A 130 11.183 26.284 -3.083 1.00 0.00 H ATOM 2055 N ALA A 131 10.197 27.071 1.159 1.00 25.86 N ATOM 2056 CA ALA A 131 9.318 27.847 2.022 1.00 25.86 C ATOM 2057 C ALA A 131 9.669 29.335 1.955 1.00 25.86 C ATOM 2058 O ALA A 131 8.740 30.158 2.104 1.00 25.86 O ATOM 2059 CB ALA A 131 9.431 27.348 3.455 1.00 25.86 C ATOM 2060 HA ALA A 131 8.292 27.721 1.677 1.00 0.00 H ATOM 2061 OXT ALA A 131 10.866 29.667 1.774 1.00 25.86 O ATOM 2062 HB1 ALA A 131 9.143 26.298 3.496 1.00 0.00 H ATOM 2063 HB2 ALA A 131 10.460 27.457 3.796 1.00 0.00 H ATOM 2064 HB3 ALA A 131 8.771 27.933 4.095 1.00 0.00 H ATOM 2065 H ALA A 131 10.861 26.399 1.593 1.00 0.00 H TER 2066 ALA A 131 HETATM 2067 O HOH 1 11.804 27.052 -4.918 1.00 17.26 O HETATM 2068 O HOH 2 21.426 5.862 3.266 1.00 32.43 O HETATM 2069 O HOH 3 20.539 5.949 8.751 1.00 27.27 O HETATM 2070 O HOH 4 23.758 -0.059 7.895 1.00 21.31 O HETATM 2071 O HOH 5 0.086 17.976 10.668 1.00 22.16 O HETATM 2072 O HOH 6 14.440 17.784 8.723 1.00 28.57 O HETATM 2073 O HOH 7 -1.479 1.063 2.725 1.00 43.67 O HETATM 2074 O HOH 8 26.519 11.386 5.280 1.00 17.54 O HETATM 2075 O HOH 9 18.140 -4.030 10.758 1.00 34.39 O HETATM 2076 O HOH 10 6.564 -11.288 0.788 1.00 24.81 O HETATM 2077 O HOH 11 29.124 19.017 -1.315 1.00 38.17 O HETATM 2078 O HOH 12 23.661 5.974 -6.084 1.00 27.39 O HETATM 2079 O HOH 13 -1.377 10.950 12.505 1.00 31.64 O HETATM 2080 O HOH 14 5.905 29.049 1.849 1.00 29.85 O HETATM 2081 O HOH 15 5.512 -2.067 -14.010 1.00 32.52 O HETATM 2082 O HOH 16 13.393 8.064 -10.211 1.00 32.37 O HETATM 2083 O HOH 17 18.621 -0.351 11.786 1.00 18.05 O HETATM 2084 O HOH 18 -1.109 18.425 5.043 1.00 27.15 O HETATM 2085 O HOH 19 25.186 13.123 15.183 1.00 39.25 O HETATM 2086 O HOH 20 29.406 17.821 -4.298 1.00 40.03 O HETATM 2087 O HOH 21 4.423 13.085 -15.894 1.00 32.29 O HETATM 2088 O HOH 22 20.577 13.873 -15.923 1.00 24.09 O HETATM 2089 O HOH 23 26.691 15.587 4.754 1.00 41.03 O HETATM 2090 O HOH 24 16.702 17.944 -15.220 1.00 37.20 O HETATM 2091 O HOH 25 16.289 6.248 10.190 1.00 31.53 O HETATM 2092 O HOH 26 3.154 5.966 -16.022 1.00 36.85 O HETATM 2093 O HOH 27 -2.092 24.754 -0.253 1.00 42.53 O HETATM 2094 O HOH 28 16.005 5.873 13.504 1.00 32.87 O HETATM 2095 O HOH 29 20.915 6.539 11.685 1.00 40.82 O HETATM 2096 O HOH 30 15.660 -5.119 -3.834 1.00 31.92 O HETATM 2097 O HOH 31 15.685 20.411 -17.540 1.00 35.95 O HETATM 2098 O HOH 32 -2.085 -5.033 -2.227 1.00 48.10 O HETATM 2099 O HOH 33 25.906 23.445 -2.922 1.00 39.91 O HETATM 2100 O HOH 34 -1.067 23.652 -6.409 1.00 51.09 O HETATM 2101 O HOH 35 9.712 6.611 8.332 1.00 20.70 O HETATM 2102 O HOH 36 10.447 11.574 5.916 1.00 11.84 O HETATM 2103 O HOH 37 0.881 13.361 -0.877 1.00 19.28 O HETATM 2104 O HOH 38 8.421 4.594 -1.310 1.00 11.81 O HETATM 2105 O HOH 39 10.668 15.592 -0.692 1.00 12.21 O HETATM 2106 O HOH 40 -3.216 10.750 -9.844 1.00 12.42 O HETATM 2107 O HOH 41 15.944 10.634 -2.595 1.00 10.87 O HETATM 2108 O HOH 42 8.581 11.614 1.911 1.00 11.73 O HETATM 2109 O HOH 43 -0.603 12.925 -6.017 1.00 25.32 O HETATM 2110 O HOH 44 11.680 9.122 2.725 1.00 20.48 O HETATM 2111 O HOH 45 -3.109 15.685 -9.903 1.00 40.78 O HETATM 2112 C1 HXA A 46 7.054 13.482 -0.161 1.00 0.04 C HETATM 2113 C2 HXA A 46 6.096 12.308 -0.390 1.00 0.01 C HETATM 2114 C3 HXA A 46 6.706 10.993 0.158 1.00 -0.02 C HETATM 2115 C4 HXA A 46 7.046 9.996 -0.935 1.00 -0.10 C HETATM 2116 C5 HXA A 46 6.563 8.757 -1.095 1.00 -0.09 C HETATM 2117 C6 HXA A 46 5.549 8.066 -0.200 1.00 -0.02 C HETATM 2118 C7 HXA A 46 5.211 6.642 -0.609 1.00 -0.09 C HETATM 2119 C8 HXA A 46 4.229 5.894 -0.087 1.00 -0.09 C HETATM 2120 C9 HXA A 46 3.234 6.299 0.986 1.00 -0.02 C HETATM 2121 C10 HXA A 46 1.968 6.888 0.389 1.00 -0.09 C HETATM 2122 C11 HXA A 46 1.148 7.793 0.936 1.00 -0.09 C HETATM 2123 C12 HXA A 46 1.254 8.476 2.287 1.00 -0.02 C HETATM 2124 C13 HXA A 46 1.222 9.985 2.146 1.00 -0.09 C HETATM 2125 C14 HXA A 46 2.231 10.848 2.331 1.00 -0.09 C HETATM 2126 C15 HXA A 46 3.657 10.527 2.726 1.00 -0.02 C HETATM 2127 C16 HXA A 46 3.838 10.310 4.217 1.00 -0.09 C HETATM 2128 C17 HXA A 46 4.955 9.892 4.826 1.00 -0.09 C HETATM 2129 C18 HXA A 46 6.281 9.528 4.187 1.00 -0.02 C HETATM 2130 C19 HXA A 46 6.328 8.074 3.753 1.00 -0.09 C HETATM 2131 C20 HXA A 46 7.379 7.246 3.792 1.00 -0.10 C HETATM 2132 C21 HXA A 46 8.766 7.575 4.309 1.00 -0.04 C HETATM 2133 C22 HXA A 46 9.635 6.317 4.437 1.00 -0.06 C HETATM 2134 H29 HXA A 46 10.630 6.596 4.814 1.00 0.02 H HETATM 2135 H30 HXA A 46 9.736 5.840 3.451 1.00 0.02 H HETATM 2136 H31 HXA A 46 9.161 5.614 5.138 1.00 0.02 H HETATM 2137 H27 HXA A 46 8.675 8.048 5.298 1.00 0.04 H HETATM 2138 H28 HXA A 46 9.251 8.274 3.611 1.00 0.04 H HETATM 2139 H26 HXA A 46 7.223 6.236 3.415 1.00 0.05 H HETATM 2140 H25 HXA A 46 5.400 7.657 3.365 1.00 0.05 H HETATM 2141 H23 HXA A 46 7.086 9.707 4.915 1.00 0.05 H HETATM 2142 H24 HXA A 46 6.436 10.166 3.305 1.00 0.05 H HETATM 2143 H22 HXA A 46 4.905 9.803 5.910 1.00 0.05 H HETATM 2144 H21 HXA A 46 2.977 10.514 4.852 1.00 0.05 H HETATM 2145 H19 HXA A 46 4.301 11.363 2.415 1.00 0.05 H HETATM 2146 H20 HXA A 46 3.966 9.611 2.201 1.00 0.05 H HETATM 2147 H18 HXA A 46 1.998 11.901 2.180 1.00 0.05 H HETATM 2148 H17 HXA A 46 0.265 10.420 1.860 1.00 0.05 H HETATM 2149 H15 HXA A 46 2.200 8.181 2.764 1.00 0.05 H HETATM 2150 H16 HXA A 46 0.410 8.157 2.917 1.00 0.05 H HETATM 2151 H14 HXA A 46 0.289 8.078 0.330 1.00 0.05 H HETATM 2152 H13 HXA A 46 1.695 6.531 -0.603 1.00 0.05 H HETATM 2153 H11 HXA A 46 3.702 7.050 1.640 1.00 0.05 H HETATM 2154 H12 HXA A 46 2.968 5.411 1.578 1.00 0.05 H HETATM 2155 H10 HXA A 46 4.134 4.881 -0.476 1.00 0.05 H HETATM 2156 H9 HXA A 46 5.818 6.191 -1.393 1.00 0.05 H HETATM 2157 H7 HXA A 46 4.621 8.656 -0.213 1.00 0.05 H HETATM 2158 H8 HXA A 46 5.954 8.042 0.823 1.00 0.05 H HETATM 2159 H6 HXA A 46 6.933 8.191 -1.949 1.00 0.05 H HETATM 2160 H5 HXA A 46 7.769 10.328 -1.678 1.00 0.05 H HETATM 2161 H3 HXA A 46 5.981 10.529 0.843 1.00 0.04 H HETATM 2162 H4 HXA A 46 7.626 11.236 0.709 1.00 0.04 H HETATM 2163 H1 HXA A 46 5.910 12.198 -1.468 1.00 0.04 H HETATM 2164 H2 HXA A 46 5.147 12.509 0.128 1.00 0.04 H HETATM 2165 O2 HXA A 46 6.439 14.548 0.413 1.00 -0.57 O HETATM 2166 O1 HXA A 46 8.242 13.482 -0.465 1.00 -0.57 O CONECT 1 2 16 17 18 CONECT 16 1 CONECT 17 1 CONECT 18 1 CONECT 958 945 976 977 978 CONECT 958 959 CONECT 976 958 CONECT 977 958 CONECT 978 958 CONECT 2112 2113 2165 2166 CONECT 2113 2112 2114 2163 2164 CONECT 2114 2113 2115 2161 2162 CONECT 2115 2114 2116 2160 CONECT 2116 2115 2117 2159 CONECT 2117 2116 2118 2157 2158 CONECT 2118 2117 2119 2156 CONECT 2119 2118 2120 2155 CONECT 2120 2119 2121 2153 2154 CONECT 2121 2120 2122 2152 CONECT 2122 2121 2123 2151 CONECT 2123 2122 2124 2149 2150 CONECT 2124 2123 2125 2148 CONECT 2125 2124 2126 2147 CONECT 2126 2125 2127 2145 2146 CONECT 2127 2126 2128 2144 CONECT 2128 2127 2129 2143 CONECT 2129 2128 2130 2141 2142 CONECT 2130 2129 2131 2140 CONECT 2131 2130 2132 2139 CONECT 2132 2131 2133 2137 2138 CONECT 2133 2132 2134 2135 2136 CONECT 2134 2133 CONECT 2135 2133 CONECT 2136 2133 CONECT 2137 2132 CONECT 2138 2132 CONECT 2139 2131 CONECT 2140 2130 CONECT 2141 2129 CONECT 2142 2129 CONECT 2143 2128 CONECT 2144 2127 CONECT 2145 2126 CONECT 2146 2126 CONECT 2147 2125 CONECT 2148 2124 CONECT 2149 2123 CONECT 2150 2123 CONECT 2151 2122 CONECT 2152 2121 CONECT 2153 2120 CONECT 2154 2120 CONECT 2155 2119 CONECT 2156 2118 CONECT 2157 2117 CONECT 2158 2117 CONECT 2159 2116 CONECT 2160 2115 CONECT 2161 2114 CONECT 2162 2114 CONECT 2163 2113 CONECT 2164 2113 CONECT 2165 2112 CONECT 2166 2112 MASTER 0 0 0 0 0 0 0 0 2165 1 64 11 END
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Structure:
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Related entries of code: 1fdq
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1fe3
RCSB PDB
PDBbind
131aa, >1FE3_1|Chain... at 100%
5ura
RCSB PDB
PDBbind
135aa, >5URA_1|Chains... *
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
1fdq
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
fatty acid-binding protein
Ligand Name
HXA
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=53.4nM
Release Year
2001
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v275 pp. 27045-54, 2000
Ligand Properties
Formula
C
2
2
H
3
2
O
2
Molecular Weight
328.488
Exact Mass
328.240
No. of atoms
56
No. of bonds
55
Polar Surface Area
37.3
LOGP Value
7.63 (
Computed with XLOGP3
)
6.55 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 13
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChI String
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-
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):
O15540
Entrez Gene ID
NCBI Entrez Gene ID:
2173
ASD
Information of known allosteric effects of PDB entries
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