Browse entries in the PDBbind-CN Database
HEADER 1O48_COMPLEX COMPND 1O48_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 106 SER ILE GLN ALA GLU GLU TRP TYR PHE GLY LYS ILE THR SEQRES 2 A 106 ARG ARG GLU SER GLU ARG LEU LEU LEU ASN ALA GLU ASN SEQRES 3 A 106 PRO ARG GLY THR PHE LEU VAL ARG GLU SER GLU THR THR SEQRES 4 A 106 LYS GLY ALA TYR CYS LEU SER VAL SER ASP PHE ASP ASN SEQRES 5 A 106 ALA LYS GLY LEU ASN VAL LYS HIS TYR LYS ILE ARG LYS SEQRES 6 A 106 LEU ASP SER GLY GLY PHE TYR ILE THR SER ARG THR GLN SEQRES 7 A 106 PHE ASN SER LEU GLN GLN LEU VAL ALA TYR TYR SER LYS SEQRES 8 A 106 HIS ALA ASP GLY LEU CYS HIS ARG LEU THR THR VAL CYS SEQRES 9 A 106 PRO THR HET UNN A 293 76 ATOM 1 N SER A 1 2.560 13.781 5.691 1.00 41.93 N ATOM 2 CA SER A 1 2.985 15.216 5.773 1.00 41.59 C ATOM 3 C SER A 1 3.017 15.686 7.233 1.00 41.08 C ATOM 4 O SER A 1 2.075 15.428 8.005 1.00 41.36 O ATOM 5 CB SER A 1 2.023 16.107 4.971 1.00 42.02 C ATOM 6 OG SER A 1 2.422 17.475 4.967 1.00 41.89 O ATOM 7 HA SER A 1 3.986 15.296 5.350 1.00 0.00 H ATOM 8 HB2 SER A 1 1.029 16.034 5.412 1.00 0.00 H ATOM 9 HB3 SER A 1 1.990 15.749 3.942 1.00 0.00 H ATOM 10 HG SER A 1 1.773 18.005 4.440 1.00 0.00 H ATOM 11 HN3 SER A 1 1.609 13.678 6.100 1.00 0.00 H ATOM 12 HN2 SER A 1 3.232 13.191 6.221 1.00 0.00 H ATOM 13 HN1 SER A 1 2.545 13.482 4.695 1.00 0.00 H ATOM 14 N ILE A 2 4.078 16.411 7.596 1.00 39.30 N ATOM 15 CA ILE A 2 4.199 16.895 8.967 1.00 37.40 C ATOM 16 C ILE A 2 3.246 18.084 9.240 1.00 35.70 C ATOM 17 O ILE A 2 2.808 18.278 10.369 1.00 35.32 O ATOM 18 CB ILE A 2 5.660 17.267 9.334 1.00 37.56 C ATOM 19 CG1 ILE A 2 6.085 18.521 8.579 1.00 37.37 C ATOM 20 CG2 ILE A 2 6.592 16.088 9.032 1.00 36.52 C ATOM 21 CD1 ILE A 2 7.411 19.027 8.997 1.00 39.19 C ATOM 22 HA ILE A 2 3.902 16.068 9.612 1.00 0.00 H ATOM 23 HB ILE A 2 5.723 17.481 10.401 1.00 0.00 H ATOM 24 HG12 ILE A 2 6.121 18.290 7.514 1.00 0.00 H ATOM 25 HG13 ILE A 2 5.344 19.301 8.756 1.00 0.00 H ATOM 26 HD11 ILE A 2 7.387 19.272 10.059 1.00 0.00 H ATOM 27 HD12 ILE A 2 8.164 18.260 8.817 1.00 0.00 H ATOM 28 HD13 ILE A 2 7.655 19.920 8.422 1.00 0.00 H ATOM 29 HG21 ILE A 2 6.283 15.223 9.619 1.00 0.00 H ATOM 30 HG22 ILE A 2 6.538 15.847 7.970 1.00 0.00 H ATOM 31 HG23 ILE A 2 7.615 16.359 9.293 1.00 0.00 H ATOM 32 H ILE A 2 4.819 16.631 6.900 1.00 0.00 H ATOM 33 N GLN A 3 2.904 18.836 8.199 1.00 33.96 N ATOM 34 CA GLN A 3 2.003 19.980 8.355 1.00 33.03 C ATOM 35 C GLN A 3 0.650 19.488 8.915 1.00 30.95 C ATOM 36 O GLN A 3 -0.071 20.235 9.581 1.00 31.66 O ATOM 37 CB GLN A 3 1.792 20.715 7.014 1.00 34.81 C ATOM 38 CG GLN A 3 3.077 21.259 6.342 1.00 37.00 C ATOM 39 CD GLN A 3 3.535 22.632 6.848 1.00 38.41 C ATOM 40 OE1 GLN A 3 4.477 23.206 6.295 1.00 39.27 O ATOM 41 NE2 GLN A 3 2.888 23.156 7.892 1.00 39.05 N ATOM 42 HA GLN A 3 2.454 20.688 9.050 1.00 0.00 H ATOM 43 HB2 GLN A 3 1.319 20.020 6.321 1.00 0.00 H ATOM 44 HB3 GLN A 3 1.124 21.558 7.194 1.00 0.00 H ATOM 45 HG2 GLN A 3 3.882 20.546 6.521 1.00 0.00 H ATOM 46 HG3 GLN A 3 2.893 21.336 5.270 1.00 0.00 H ATOM 47 HE22 GLN A 3 2.099 22.638 8.328 1.00 0.00 H ATOM 48 HE21 GLN A 3 3.173 24.082 8.269 1.00 0.00 H ATOM 49 H GLN A 3 3.283 18.608 7.258 1.00 0.00 H ATOM 50 N ALA A 4 0.332 18.228 8.633 1.00 27.45 N ATOM 51 CA ALA A 4 -0.909 17.623 9.110 1.00 23.85 C ATOM 52 C ALA A 4 -0.782 17.080 10.555 1.00 20.94 C ATOM 53 O ALA A 4 -1.761 16.624 11.142 1.00 20.30 O ATOM 54 CB ALA A 4 -1.323 16.500 8.171 1.00 24.18 C ATOM 55 HA ALA A 4 -1.671 18.402 9.123 1.00 0.00 H ATOM 56 HB1 ALA A 4 -1.477 16.903 7.170 1.00 0.00 H ATOM 57 HB2 ALA A 4 -0.538 15.744 8.143 1.00 0.00 H ATOM 58 HB3 ALA A 4 -2.249 16.051 8.530 1.00 0.00 H ATOM 59 H ALA A 4 0.984 17.658 8.057 1.00 0.00 H ATOM 60 N GLU A 5 0.423 17.093 11.104 1.00 17.14 N ATOM 61 CA GLU A 5 0.630 16.578 12.443 1.00 14.63 C ATOM 62 C GLU A 5 0.188 17.596 13.421 1.00 11.73 C ATOM 63 O GLU A 5 0.574 18.750 13.331 1.00 11.48 O ATOM 64 CB GLU A 5 2.108 16.232 12.643 1.00 15.17 C ATOM 65 CG GLU A 5 2.630 15.156 11.691 1.00 16.44 C ATOM 66 CD GLU A 5 1.927 13.811 11.856 1.00 17.97 C ATOM 67 OE1 GLU A 5 1.745 13.102 10.833 1.00 19.18 O ATOM 68 OE2 GLU A 5 1.563 13.444 12.993 1.00 17.65 O ATOM 69 HA GLU A 5 0.047 15.669 12.590 1.00 0.00 H ATOM 70 HB2 GLU A 5 2.696 17.138 12.492 1.00 0.00 H ATOM 71 HB3 GLU A 5 2.242 15.879 13.666 1.00 0.00 H ATOM 72 HG2 GLU A 5 2.484 15.500 10.667 1.00 0.00 H ATOM 73 HG3 GLU A 5 3.695 15.015 11.878 1.00 0.00 H ATOM 74 H GLU A 5 1.228 17.476 10.569 1.00 0.00 H ATOM 75 N GLU A 6 -0.603 17.198 14.409 1.00 9.41 N ATOM 76 CA GLU A 6 -1.090 18.165 15.381 1.00 8.45 C ATOM 77 C GLU A 6 0.003 18.813 16.267 1.00 8.06 C ATOM 78 O GLU A 6 -0.221 19.884 16.843 1.00 7.72 O ATOM 79 CB GLU A 6 -2.218 17.593 16.251 1.00 9.26 C ATOM 80 CG GLU A 6 -1.790 16.617 17.367 1.00 7.89 C ATOM 81 CD GLU A 6 -1.532 15.214 16.897 1.00 7.28 C ATOM 82 OE1 GLU A 6 -1.164 14.382 17.740 1.00 9.11 O ATOM 83 OE2 GLU A 6 -1.678 14.932 15.691 1.00 8.07 O ATOM 84 HA GLU A 6 -1.489 18.973 14.767 1.00 0.00 H ATOM 85 HB2 GLU A 6 -2.733 18.431 16.721 1.00 0.00 H ATOM 86 HB3 GLU A 6 -2.910 17.065 15.594 1.00 0.00 H ATOM 87 HG2 GLU A 6 -0.876 16.998 17.822 1.00 0.00 H ATOM 88 HG3 GLU A 6 -2.582 16.586 18.116 1.00 0.00 H ATOM 89 H GLU A 6 -0.874 16.197 14.489 1.00 0.00 H ATOM 90 N TRP A 7 1.123 18.109 16.424 1.00 7.31 N ATOM 91 CA TRP A 7 2.244 18.647 17.197 1.00 7.39 C ATOM 92 C TRP A 7 3.157 19.529 16.351 1.00 7.50 C ATOM 93 O TRP A 7 4.144 20.083 16.858 1.00 7.04 O ATOM 94 CB TRP A 7 3.058 17.530 17.852 1.00 7.65 C ATOM 95 CG TRP A 7 3.241 16.284 17.023 1.00 7.83 C ATOM 96 CD1 TRP A 7 2.568 15.110 17.176 1.00 7.96 C ATOM 97 CD2 TRP A 7 4.155 16.083 15.922 1.00 8.08 C ATOM 98 NE1 TRP A 7 2.987 14.200 16.258 1.00 8.02 N ATOM 99 CE2 TRP A 7 3.958 14.754 15.466 1.00 8.43 C ATOM 100 CE3 TRP A 7 5.106 16.888 15.275 1.00 9.10 C ATOM 101 CZ2 TRP A 7 4.670 14.216 14.385 1.00 8.65 C ATOM 102 CZ3 TRP A 7 5.819 16.359 14.199 1.00 9.30 C ATOM 103 CH2 TRP A 7 5.595 15.025 13.760 1.00 9.42 C ATOM 104 HA TRP A 7 1.808 19.268 17.979 1.00 0.00 H ATOM 105 HB2 TRP A 7 4.046 17.927 18.084 1.00 0.00 H ATOM 106 HB3 TRP A 7 2.555 17.247 18.777 1.00 0.00 H ATOM 107 HE1 TRP A 7 2.625 13.229 16.170 1.00 0.00 H ATOM 108 HD1 TRP A 7 1.801 14.926 17.929 1.00 0.00 H ATOM 109 HZ2 TRP A 7 4.498 13.193 14.050 1.00 0.00 H ATOM 110 HH2 TRP A 7 6.164 14.636 12.916 1.00 0.00 H ATOM 111 HZ3 TRP A 7 6.558 16.976 13.688 1.00 0.00 H ATOM 112 HE3 TRP A 7 5.284 17.910 15.608 1.00 0.00 H ATOM 113 H TRP A 7 1.202 17.166 15.992 1.00 0.00 H ATOM 114 N TYR A 8 2.830 19.688 15.073 1.00 7.67 N ATOM 115 CA TYR A 8 3.649 20.541 14.227 1.00 8.82 C ATOM 116 C TYR A 8 3.030 21.910 14.215 1.00 9.07 C ATOM 117 O TYR A 8 1.976 22.114 13.602 1.00 9.39 O ATOM 118 CB TYR A 8 3.758 20.023 12.795 1.00 8.26 C ATOM 119 CG TYR A 8 4.691 20.878 11.999 1.00 10.50 C ATOM 120 CD1 TYR A 8 6.044 20.918 12.321 1.00 10.69 C ATOM 121 CD2 TYR A 8 4.234 21.700 10.969 1.00 10.15 C ATOM 122 CE1 TYR A 8 6.920 21.759 11.642 1.00 12.53 C ATOM 123 CE2 TYR A 8 5.111 22.548 10.281 1.00 12.28 C ATOM 124 CZ TYR A 8 6.453 22.566 10.630 1.00 12.56 C ATOM 125 OH TYR A 8 7.366 23.370 9.975 1.00 13.88 O ATOM 126 HA TYR A 8 4.660 20.558 14.634 1.00 0.00 H ATOM 127 HB3 TYR A 8 2.772 20.039 12.331 1.00 0.00 H ATOM 128 HB2 TYR A 8 4.134 19.000 12.811 1.00 0.00 H ATOM 129 HD2 TYR A 8 3.179 21.682 10.696 1.00 0.00 H ATOM 130 HE2 TYR A 8 4.742 23.188 9.479 1.00 0.00 H ATOM 131 HE1 TYR A 8 7.976 21.779 11.912 1.00 0.00 H ATOM 132 HD1 TYR A 8 6.424 20.280 13.119 1.00 0.00 H ATOM 133 HH TYR A 8 7.098 24.318 10.071 1.00 0.00 H ATOM 134 H TYR A 8 1.996 19.207 14.681 1.00 0.00 H ATOM 135 N PHE A 9 3.685 22.854 14.888 1.00 8.33 N ATOM 136 CA PHE A 9 3.194 24.224 15.002 1.00 8.65 C ATOM 137 C PHE A 9 3.739 25.169 13.886 1.00 9.22 C ATOM 138 O PHE A 9 3.415 26.350 13.865 1.00 9.89 O ATOM 139 CB PHE A 9 3.531 24.791 16.389 1.00 9.51 C ATOM 140 CG PHE A 9 2.642 24.264 17.500 1.00 8.27 C ATOM 141 CD1 PHE A 9 2.212 22.960 17.511 1.00 9.84 C ATOM 142 CD2 PHE A 9 2.250 25.095 18.537 1.00 10.20 C ATOM 143 CE1 PHE A 9 1.385 22.486 18.554 1.00 9.72 C ATOM 144 CE2 PHE A 9 1.440 24.632 19.566 1.00 10.17 C ATOM 145 CZ PHE A 9 1.009 23.337 19.572 1.00 10.14 C ATOM 146 HA PHE A 9 2.113 24.181 14.871 1.00 0.00 H ATOM 147 HB2 PHE A 9 4.564 24.534 16.624 1.00 0.00 H ATOM 148 HB3 PHE A 9 3.428 25.875 16.351 1.00 0.00 H ATOM 149 HD2 PHE A 9 2.584 26.133 18.546 1.00 0.00 H ATOM 150 HE2 PHE A 9 1.147 25.305 20.372 1.00 0.00 H ATOM 151 HZ PHE A 9 0.370 22.977 20.378 1.00 0.00 H ATOM 152 HE1 PHE A 9 1.045 21.450 18.554 1.00 0.00 H ATOM 153 HD1 PHE A 9 2.511 22.285 16.709 1.00 0.00 H ATOM 154 H PHE A 9 4.582 22.605 15.351 1.00 0.00 H ATOM 155 N GLY A 10 4.552 24.627 12.987 1.00 9.56 N ATOM 156 CA GLY A 10 5.073 25.420 11.900 1.00 10.07 C ATOM 157 C GLY A 10 5.849 26.653 12.292 1.00 10.12 C ATOM 158 O GLY A 10 6.783 26.626 13.118 1.00 9.31 O ATOM 159 HA3 GLY A 10 4.231 25.737 11.285 1.00 0.00 H ATOM 160 HA2 GLY A 10 5.733 24.784 11.310 1.00 0.00 H ATOM 161 H GLY A 10 4.815 23.624 13.067 1.00 0.00 H ATOM 162 N LYS A 11 5.460 27.753 11.679 1.00 10.57 N ATOM 163 CA LYS A 11 6.153 28.996 11.887 1.00 11.93 C ATOM 164 C LYS A 11 5.765 29.816 13.123 1.00 11.99 C ATOM 165 O LYS A 11 4.959 30.748 13.019 1.00 12.98 O ATOM 166 CB LYS A 11 6.065 29.862 10.623 1.00 13.15 C ATOM 167 CG LYS A 11 7.049 31.014 10.640 1.00 16.08 C ATOM 168 CD LYS A 11 6.821 31.966 9.458 1.00 16.45 C ATOM 169 CE LYS A 11 7.882 33.071 9.459 1.00 18.54 C ATOM 170 NZ LYS A 11 7.586 34.063 8.391 1.00 19.81 N ATOM 171 HA LYS A 11 7.179 28.692 12.097 1.00 0.00 H ATOM 172 HB2 LYS A 11 6.273 29.236 9.755 1.00 0.00 H ATOM 173 HB3 LYS A 11 5.055 30.265 10.545 1.00 0.00 H ATOM 174 HG2 LYS A 11 6.929 31.569 11.570 1.00 0.00 H ATOM 175 HG3 LYS A 11 8.062 30.616 10.584 1.00 0.00 H ATOM 176 HD2 LYS A 11 6.885 31.405 8.526 1.00 0.00 H ATOM 177 HD3 LYS A 11 5.832 32.416 9.543 1.00 0.00 H ATOM 178 HE2 LYS A 11 8.863 32.630 9.280 1.00 0.00 H ATOM 179 HE3 LYS A 11 7.881 33.572 10.427 1.00 0.00 H ATOM 180 HZ1 LYS A 11 7.589 33.587 7.467 1.00 0.00 H ATOM 181 HZ2 LYS A 11 6.651 34.486 8.562 1.00 0.00 H ATOM 182 HZ3 LYS A 11 8.312 34.808 8.401 1.00 0.00 H ATOM 183 H LYS A 11 4.642 27.722 11.037 1.00 0.00 H ATOM 184 N ILE A 12 6.237 29.387 14.297 1.00 10.13 N ATOM 185 CA ILE A 12 6.032 30.134 15.538 1.00 9.44 C ATOM 186 C ILE A 12 7.457 30.349 16.077 1.00 8.63 C ATOM 187 O ILE A 12 8.369 29.562 15.792 1.00 9.81 O ATOM 188 CB ILE A 12 5.119 29.441 16.613 1.00 9.66 C ATOM 189 CG1 ILE A 12 5.727 28.134 17.121 1.00 9.83 C ATOM 190 CG2 ILE A 12 3.738 29.209 16.038 1.00 10.99 C ATOM 191 CD1 ILE A 12 5.069 27.668 18.380 1.00 10.07 C ATOM 192 HA ILE A 12 5.483 31.052 15.328 1.00 0.00 H ATOM 193 HB ILE A 12 5.041 30.107 17.472 1.00 0.00 H ATOM 194 HG12 ILE A 12 5.607 27.368 16.355 1.00 0.00 H ATOM 195 HG13 ILE A 12 6.788 28.290 17.314 1.00 0.00 H ATOM 196 HD11 ILE A 12 5.190 28.426 19.154 1.00 0.00 H ATOM 197 HD12 ILE A 12 4.008 27.503 18.194 1.00 0.00 H ATOM 198 HD13 ILE A 12 5.531 26.736 18.707 1.00 0.00 H ATOM 199 HG21 ILE A 12 3.299 30.165 15.753 1.00 0.00 H ATOM 200 HG22 ILE A 12 3.814 28.567 15.160 1.00 0.00 H ATOM 201 HG23 ILE A 12 3.110 28.728 16.788 1.00 0.00 H ATOM 202 H ILE A 12 6.767 28.493 14.330 1.00 0.00 H ATOM 203 N THR A 13 7.650 31.446 16.796 1.00 7.42 N ATOM 204 CA THR A 13 8.967 31.771 17.309 1.00 6.50 C ATOM 205 C THR A 13 9.323 30.967 18.537 1.00 6.63 C ATOM 206 O THR A 13 8.473 30.351 19.195 1.00 5.59 O ATOM 207 CB THR A 13 9.058 33.272 17.703 1.00 7.07 C ATOM 208 OG1 THR A 13 8.199 33.537 18.830 1.00 7.56 O ATOM 209 CG2 THR A 13 8.689 34.176 16.513 1.00 6.79 C ATOM 210 HA THR A 13 9.661 31.534 16.503 1.00 0.00 H ATOM 211 HB THR A 13 10.087 33.496 17.985 1.00 0.00 H ATOM 212 HG1 THR A 13 7.264 33.318 18.589 1.00 0.00 H ATOM 213 HG23 THR A 13 9.350 33.958 15.674 1.00 0.00 H ATOM 214 HG21 THR A 13 7.656 33.987 16.221 1.00 0.00 H ATOM 215 HG22 THR A 13 8.800 35.221 16.804 1.00 0.00 H ATOM 216 H THR A 13 6.849 32.080 16.994 1.00 0.00 H ATOM 217 N ARG A 14 10.602 31.020 18.876 1.00 6.37 N ATOM 218 CA ARG A 14 11.081 30.382 20.087 1.00 7.63 C ATOM 219 C ARG A 14 10.322 30.996 21.335 1.00 6.90 C ATOM 220 O ARG A 14 9.874 30.258 22.210 1.00 6.66 O ATOM 221 CB ARG A 14 12.591 30.619 20.271 1.00 7.90 C ATOM 222 CG ARG A 14 13.067 30.367 21.706 1.00 9.17 C ATOM 223 CD ARG A 14 14.523 30.754 21.871 1.00 12.05 C ATOM 224 NE ARG A 14 15.364 29.830 21.132 1.00 14.19 N ATOM 225 CZ ARG A 14 16.340 29.129 21.682 1.00 17.98 C ATOM 226 NH1 ARG A 14 17.052 28.295 20.934 1.00 19.06 N ATOM 227 NH2 ARG A 14 16.617 29.280 22.976 1.00 18.95 N ATOM 228 HA ARG A 14 10.894 29.311 20.008 1.00 0.00 H ATOM 229 HB2 ARG A 14 13.132 29.949 19.603 1.00 0.00 H ATOM 230 HB3 ARG A 14 12.815 31.652 20.007 1.00 0.00 H ATOM 231 HG2 ARG A 14 12.461 30.958 22.392 1.00 0.00 H ATOM 232 HG3 ARG A 14 12.950 29.309 21.940 1.00 0.00 H ATOM 233 HD2 ARG A 14 14.789 30.720 22.927 1.00 0.00 H ATOM 234 HD3 ARG A 14 14.674 31.764 21.491 1.00 0.00 H ATOM 235 HE ARG A 14 15.189 29.713 20.114 1.00 0.00 H ATOM 236 HH12 ARG A 14 17.821 27.741 21.361 1.00 0.00 H ATOM 237 HH11 ARG A 14 16.841 28.196 19.921 1.00 0.00 H ATOM 238 HH22 ARG A 14 17.385 28.729 23.411 1.00 0.00 H ATOM 239 HH21 ARG A 14 16.066 29.948 23.551 1.00 0.00 H ATOM 240 H ARG A 14 11.273 31.527 18.264 1.00 0.00 H ATOM 241 N ARG A 15 10.203 32.327 21.378 1.00 6.98 N ATOM 242 CA ARG A 15 9.531 32.975 22.517 1.00 7.19 C ATOM 243 C ARG A 15 8.050 32.505 22.639 1.00 7.37 C ATOM 244 O ARG A 15 7.555 32.238 23.740 1.00 7.05 O ATOM 245 CB ARG A 15 9.604 34.497 22.436 1.00 7.89 C ATOM 246 CG ARG A 15 8.928 35.167 23.619 1.00 8.39 C ATOM 247 CD ARG A 15 9.116 36.672 23.617 1.00 10.04 C ATOM 248 NE ARG A 15 8.356 37.337 24.680 1.00 11.32 N ATOM 249 CZ ARG A 15 8.790 37.484 25.933 1.00 13.66 C ATOM 250 NH1 ARG A 15 9.991 37.024 26.281 1.00 11.97 N ATOM 251 NH2 ARG A 15 8.022 38.089 26.848 1.00 15.48 N ATOM 252 HA ARG A 15 10.067 32.668 23.415 1.00 0.00 H ATOM 253 HB2 ARG A 15 10.651 34.798 22.413 1.00 0.00 H ATOM 254 HB3 ARG A 15 9.113 34.824 21.519 1.00 0.00 H ATOM 255 HG2 ARG A 15 7.861 34.947 23.583 1.00 0.00 H ATOM 256 HG3 ARG A 15 9.350 34.763 24.539 1.00 0.00 H ATOM 257 HD2 ARG A 15 8.787 37.064 22.655 1.00 0.00 H ATOM 258 HD3 ARG A 15 10.175 36.892 23.754 1.00 0.00 H ATOM 259 HE ARG A 15 7.418 37.719 24.442 1.00 0.00 H ATOM 260 HH12 ARG A 15 10.329 37.139 27.258 1.00 0.00 H ATOM 261 HH11 ARG A 15 10.591 36.550 25.576 1.00 0.00 H ATOM 262 HH22 ARG A 15 8.365 38.201 27.823 1.00 0.00 H ATOM 263 HH21 ARG A 15 7.082 38.447 26.583 1.00 0.00 H ATOM 264 H ARG A 15 10.586 32.907 20.604 1.00 0.00 H ATOM 265 N GLU A 16 7.380 32.383 21.497 1.00 7.70 N ATOM 266 CA GLU A 16 6.000 31.918 21.490 1.00 9.17 C ATOM 267 C GLU A 16 5.950 30.482 22.018 1.00 7.83 C ATOM 268 O GLU A 16 5.132 30.154 22.900 1.00 7.96 O ATOM 269 CB GLU A 16 5.424 31.994 20.070 1.00 12.30 C ATOM 270 CG GLU A 16 4.020 31.410 19.905 1.00 15.14 C ATOM 271 CD GLU A 16 2.948 32.083 20.768 1.00 18.14 C ATOM 272 OE1 GLU A 16 1.809 31.569 20.707 1.00 20.50 O ATOM 273 OE2 GLU A 16 3.206 33.085 21.490 1.00 18.08 O ATOM 274 HA GLU A 16 5.396 32.556 22.135 1.00 0.00 H ATOM 275 HB2 GLU A 16 5.390 33.043 19.775 1.00 0.00 H ATOM 276 HB3 GLU A 16 6.095 31.452 19.404 1.00 0.00 H ATOM 277 HG2 GLU A 16 3.729 31.511 18.859 1.00 0.00 H ATOM 278 HG3 GLU A 16 4.057 30.353 20.170 1.00 0.00 H ATOM 279 H GLU A 16 7.847 32.622 20.599 1.00 0.00 H ATOM 280 N SER A 17 6.862 29.637 21.537 1.00 6.10 N ATOM 281 CA SER A 17 6.891 28.250 22.018 1.00 6.19 C ATOM 282 C SER A 17 7.086 28.236 23.535 1.00 5.39 C ATOM 283 O SER A 17 6.483 27.417 24.227 1.00 6.08 O ATOM 284 CB SER A 17 7.966 27.408 21.298 1.00 6.66 C ATOM 285 OG SER A 17 9.285 27.701 21.730 1.00 8.00 O ATOM 286 HA SER A 17 5.933 27.786 21.782 1.00 0.00 H ATOM 287 HB2 SER A 17 7.900 27.603 20.228 1.00 0.00 H ATOM 288 HB3 SER A 17 7.765 26.354 21.487 1.00 0.00 H ATOM 289 HG SER A 17 9.484 28.655 21.555 1.00 0.00 H ATOM 290 H SER A 17 7.549 29.958 20.825 1.00 0.00 H ATOM 291 N GLU A 18 7.891 29.163 24.052 1.00 4.47 N ATOM 292 CA GLU A 18 8.116 29.208 25.481 1.00 7.01 C ATOM 293 C GLU A 18 6.875 29.712 26.243 1.00 7.68 C ATOM 294 O GLU A 18 6.550 29.194 27.320 1.00 8.05 O ATOM 295 CB GLU A 18 9.343 30.048 25.809 1.00 7.83 C ATOM 296 CG GLU A 18 10.593 29.434 25.213 1.00 7.87 C ATOM 297 CD GLU A 18 11.827 30.289 25.375 1.00 10.86 C ATOM 298 OE1 GLU A 18 12.944 29.715 25.323 1.00 9.82 O ATOM 299 OE2 GLU A 18 11.684 31.514 25.554 1.00 10.69 O ATOM 300 HA GLU A 18 8.303 28.187 25.815 1.00 0.00 H ATOM 301 HB2 GLU A 18 9.209 31.050 25.403 1.00 0.00 H ATOM 302 HB3 GLU A 18 9.456 30.108 26.891 1.00 0.00 H ATOM 303 HG2 GLU A 18 10.772 28.476 25.700 1.00 0.00 H ATOM 304 HG3 GLU A 18 10.423 29.273 24.148 1.00 0.00 H ATOM 305 H GLU A 18 8.357 29.854 23.430 1.00 0.00 H ATOM 306 N ARG A 19 6.185 30.707 25.683 1.00 8.06 N ATOM 307 CA ARG A 19 4.977 31.221 26.312 1.00 8.96 C ATOM 308 C ARG A 19 3.930 29.988 26.460 1.00 8.30 C ATOM 309 O ARG A 19 3.307 29.783 27.515 1.00 9.03 O ATOM 310 CB ARG A 19 4.340 32.301 25.437 1.00 9.23 C ATOM 311 CG ARG A 19 3.056 32.854 26.036 1.00 11.46 C ATOM 312 CD ARG A 19 2.420 33.907 25.138 1.00 13.12 C ATOM 313 NE ARG A 19 1.760 33.319 23.972 1.00 15.10 N ATOM 314 CZ ARG A 19 0.566 32.729 23.983 1.00 15.17 C ATOM 315 NH1 ARG A 19 -0.139 32.630 25.106 1.00 16.91 N ATOM 316 NH2 ARG A 19 0.059 32.270 22.858 1.00 16.14 N ATOM 317 HA ARG A 19 5.223 31.652 27.282 1.00 0.00 H ATOM 318 HB2 ARG A 19 5.051 33.119 25.318 1.00 0.00 H ATOM 319 HB3 ARG A 19 4.114 31.872 24.461 1.00 0.00 H ATOM 320 HG2 ARG A 19 2.350 32.035 26.175 1.00 0.00 H ATOM 321 HG3 ARG A 19 3.283 33.304 27.002 1.00 0.00 H ATOM 322 HD2 ARG A 19 3.197 34.590 24.794 1.00 0.00 H ATOM 323 HD3 ARG A 19 1.681 34.461 25.717 1.00 0.00 H ATOM 324 HE ARG A 19 2.263 33.365 23.063 1.00 0.00 H ATOM 325 HH12 ARG A 19 -1.070 32.166 25.096 1.00 0.00 H ATOM 326 HH11 ARG A 19 0.240 33.017 25.994 1.00 0.00 H ATOM 327 HH22 ARG A 19 -0.873 31.808 22.858 1.00 0.00 H ATOM 328 HH21 ARG A 19 0.590 32.369 21.969 1.00 0.00 H ATOM 329 H ARG A 19 6.514 31.120 24.787 1.00 0.00 H ATOM 330 N LEU A 20 3.785 29.234 25.378 1.00 8.19 N ATOM 331 CA LEU A 20 2.879 28.092 25.364 1.00 9.09 C ATOM 332 C LEU A 20 3.295 26.952 26.312 1.00 9.05 C ATOM 333 O LEU A 20 2.453 26.338 27.002 1.00 9.29 O ATOM 334 CB LEU A 20 2.793 27.530 23.954 1.00 10.68 C ATOM 335 CG LEU A 20 2.160 28.497 22.965 1.00 11.45 C ATOM 336 CD1 LEU A 20 2.118 27.816 21.629 1.00 12.31 C ATOM 337 CD2 LEU A 20 0.760 28.859 23.447 1.00 12.91 C ATOM 338 HA LEU A 20 1.917 28.468 25.712 1.00 0.00 H ATOM 339 HB2 LEU A 20 3.801 27.294 23.612 1.00 0.00 H ATOM 340 HB3 LEU A 20 2.196 26.618 23.979 1.00 0.00 H ATOM 341 HG LEU A 20 2.734 29.420 22.883 1.00 0.00 H ATOM 342 HD21 LEU A 20 0.155 27.955 23.514 1.00 0.00 H ATOM 343 HD22 LEU A 20 0.825 29.328 24.429 1.00 0.00 H ATOM 344 HD23 LEU A 20 0.302 29.552 22.741 1.00 0.00 H ATOM 345 HD11 LEU A 20 3.132 27.564 21.319 1.00 0.00 H ATOM 346 HD12 LEU A 20 1.523 26.906 21.705 1.00 0.00 H ATOM 347 HD13 LEU A 20 1.668 28.485 20.896 1.00 0.00 H ATOM 348 H LEU A 20 4.329 29.463 24.522 1.00 0.00 H ATOM 349 N LEU A 21 4.590 26.663 26.327 1.00 7.66 N ATOM 350 CA LEU A 21 5.106 25.573 27.144 1.00 7.42 C ATOM 351 C LEU A 21 5.226 25.889 28.638 1.00 7.92 C ATOM 352 O LEU A 21 5.194 24.984 29.474 1.00 7.89 O ATOM 353 CB LEU A 21 6.442 25.090 26.566 1.00 6.42 C ATOM 354 CG LEU A 21 6.281 24.302 25.251 1.00 6.16 C ATOM 355 CD1 LEU A 21 7.620 24.156 24.494 1.00 6.25 C ATOM 356 CD2 LEU A 21 5.687 22.937 25.526 1.00 5.68 C ATOM 357 HA LEU A 21 4.364 24.776 27.097 1.00 0.00 H ATOM 358 HB2 LEU A 21 7.072 25.959 26.376 1.00 0.00 H ATOM 359 HB3 LEU A 21 6.926 24.446 27.300 1.00 0.00 H ATOM 360 HG LEU A 21 5.604 24.870 24.613 1.00 0.00 H ATOM 361 HD21 LEU A 21 6.346 22.383 26.195 1.00 0.00 H ATOM 362 HD22 LEU A 21 4.709 23.055 25.993 1.00 0.00 H ATOM 363 HD23 LEU A 21 5.580 22.393 24.588 1.00 0.00 H ATOM 364 HD11 LEU A 21 8.009 25.145 24.253 1.00 0.00 H ATOM 365 HD12 LEU A 21 8.336 23.626 25.123 1.00 0.00 H ATOM 366 HD13 LEU A 21 7.457 23.594 23.574 1.00 0.00 H ATOM 367 H LEU A 21 5.246 27.223 25.747 1.00 0.00 H ATOM 368 N LEU A 22 5.390 27.166 28.969 1.00 9.17 N ATOM 369 CA LEU A 22 5.528 27.595 30.370 1.00 9.64 C ATOM 370 C LEU A 22 4.221 27.735 31.089 1.00 11.32 C ATOM 371 O LEU A 22 4.055 28.617 31.923 1.00 14.93 O ATOM 372 CB LEU A 22 6.334 28.897 30.465 1.00 10.30 C ATOM 373 CG LEU A 22 7.797 28.738 30.079 1.00 10.57 C ATOM 374 CD1 LEU A 22 8.445 30.100 29.935 1.00 11.16 C ATOM 375 CD2 LEU A 22 8.506 27.849 31.092 1.00 11.56 C ATOM 376 HA LEU A 22 6.070 26.795 30.874 1.00 0.00 H ATOM 377 HB2 LEU A 22 5.880 29.633 29.801 1.00 0.00 H ATOM 378 HB3 LEU A 22 6.286 29.258 31.492 1.00 0.00 H ATOM 379 HG LEU A 22 7.877 28.245 29.110 1.00 0.00 H ATOM 380 HD21 LEU A 22 8.441 28.304 32.081 1.00 0.00 H ATOM 381 HD22 LEU A 22 8.029 26.869 31.110 1.00 0.00 H ATOM 382 HD23 LEU A 22 9.553 27.740 30.808 1.00 0.00 H ATOM 383 HD11 LEU A 22 7.928 30.667 29.160 1.00 0.00 H ATOM 384 HD12 LEU A 22 8.379 30.634 30.883 1.00 0.00 H ATOM 385 HD13 LEU A 22 9.492 29.975 29.659 1.00 0.00 H ATOM 386 H LEU A 22 5.422 27.883 28.216 1.00 0.00 H ATOM 387 N ASN A 23 3.296 26.838 30.804 1.00 12.26 N ATOM 388 CA ASN A 23 1.993 26.825 31.451 1.00 12.24 C ATOM 389 C ASN A 23 2.120 25.825 32.606 1.00 11.32 C ATOM 390 O ASN A 23 2.535 24.669 32.406 1.00 10.30 O ATOM 391 CB ASN A 23 0.937 26.356 30.461 1.00 13.96 C ATOM 392 CG ASN A 23 -0.454 26.391 31.040 1.00 15.97 C ATOM 393 OD1 ASN A 23 -0.707 25.851 32.115 1.00 16.54 O ATOM 394 ND2 ASN A 23 -1.364 27.057 30.343 1.00 17.62 N ATOM 395 HA ASN A 23 1.698 27.812 31.806 1.00 0.00 H ATOM 396 HB2 ASN A 23 0.967 27.003 29.584 1.00 0.00 H ATOM 397 HB3 ASN A 23 1.166 25.333 30.164 1.00 0.00 H ATOM 398 HD22 ASN A 23 -1.105 27.498 29.438 1.00 0.00 H ATOM 399 HD21 ASN A 23 -2.337 27.138 30.702 1.00 0.00 H ATOM 400 H ASN A 23 3.507 26.112 30.089 1.00 0.00 H ATOM 401 N ALA A 24 1.763 26.269 33.806 1.00 10.73 N ATOM 402 CA ALA A 24 1.844 25.453 35.009 1.00 9.85 C ATOM 403 C ALA A 24 1.129 24.121 34.906 1.00 9.40 C ATOM 404 O ALA A 24 1.444 23.188 35.634 1.00 9.70 O ATOM 405 CB ALA A 24 1.315 26.236 36.221 1.00 11.64 C ATOM 406 HA ALA A 24 2.901 25.221 35.137 1.00 0.00 H ATOM 407 HB1 ALA A 24 1.914 27.136 36.360 1.00 0.00 H ATOM 408 HB2 ALA A 24 0.275 26.513 36.047 1.00 0.00 H ATOM 409 HB3 ALA A 24 1.382 25.612 37.112 1.00 0.00 H ATOM 410 H ALA A 24 1.410 27.244 33.890 1.00 0.00 H ATOM 411 N GLU A 25 0.149 24.037 34.019 1.00 8.36 N ATOM 412 CA GLU A 25 -0.585 22.801 33.839 1.00 8.36 C ATOM 413 C GLU A 25 0.121 21.776 32.982 1.00 7.45 C ATOM 414 O GLU A 25 -0.301 20.635 32.909 1.00 6.49 O ATOM 415 CB GLU A 25 -1.960 23.114 33.275 1.00 10.88 C ATOM 416 CG GLU A 25 -2.840 23.849 34.303 1.00 14.12 C ATOM 417 CD GLU A 25 -4.242 24.139 33.784 1.00 16.57 C ATOM 418 OE1 GLU A 25 -4.901 25.019 34.362 1.00 18.13 O ATOM 419 OE2 GLU A 25 -4.674 23.492 32.807 1.00 17.87 O ATOM 420 HA GLU A 25 -0.668 22.340 34.823 1.00 0.00 H ATOM 421 HB2 GLU A 25 -1.846 23.743 32.392 1.00 0.00 H ATOM 422 HB3 GLU A 25 -2.448 22.181 32.994 1.00 0.00 H ATOM 423 HG2 GLU A 25 -2.921 23.231 35.197 1.00 0.00 H ATOM 424 HG3 GLU A 25 -2.361 24.794 34.558 1.00 0.00 H ATOM 425 H GLU A 25 -0.097 24.869 33.445 1.00 0.00 H ATOM 426 N ASN A 26 1.207 22.163 32.324 1.00 6.55 N ATOM 427 CA ASN A 26 1.921 21.223 31.442 1.00 6.23 C ATOM 428 C ASN A 26 2.837 20.257 32.190 1.00 5.58 C ATOM 429 O ASN A 26 3.736 20.709 32.910 1.00 6.61 O ATOM 430 CB ASN A 26 2.804 21.988 30.422 1.00 5.65 C ATOM 431 CG ASN A 26 1.983 22.742 29.358 1.00 5.73 C ATOM 432 OD1 ASN A 26 0.866 22.356 29.007 1.00 6.17 O ATOM 433 ND2 ASN A 26 2.590 23.779 28.782 1.00 6.41 N ATOM 434 HA ASN A 26 1.136 20.651 30.948 1.00 0.00 H ATOM 435 HB2 ASN A 26 3.415 22.709 30.964 1.00 0.00 H ATOM 436 HB3 ASN A 26 3.452 21.271 29.917 1.00 0.00 H ATOM 437 HD22 ASN A 26 3.533 24.075 29.106 1.00 0.00 H ATOM 438 HD21 ASN A 26 2.121 24.292 28.009 1.00 0.00 H ATOM 439 H ASN A 26 1.556 23.137 32.432 1.00 0.00 H ATOM 440 N PRO A 27 2.607 18.934 32.069 1.00 6.05 N ATOM 441 CA PRO A 27 3.505 17.997 32.776 1.00 6.05 C ATOM 442 C PRO A 27 4.891 17.896 31.932 1.00 6.05 C ATOM 443 O PRO A 27 4.980 18.383 30.771 1.00 5.76 O ATOM 444 CB PRO A 27 2.729 16.666 32.782 1.00 6.73 C ATOM 445 CG PRO A 27 1.774 16.774 31.670 1.00 9.17 C ATOM 446 CD PRO A 27 1.434 18.243 31.495 1.00 6.06 C ATOM 447 HA PRO A 27 3.769 18.295 33.791 1.00 0.00 H ATOM 448 HD3 PRO A 27 1.310 18.493 30.441 1.00 0.00 H ATOM 449 HD2 PRO A 27 0.524 18.501 32.037 1.00 0.00 H ATOM 450 HG3 PRO A 27 0.871 16.208 31.899 1.00 0.00 H ATOM 451 HG2 PRO A 27 2.222 16.385 30.756 1.00 0.00 H ATOM 452 HB2 PRO A 27 3.407 15.827 32.625 1.00 0.00 H ATOM 453 HB3 PRO A 27 2.203 16.534 33.727 1.00 0.00 H ATOM 454 N ARG A 28 5.914 17.293 32.533 1.00 4.91 N ATOM 455 CA ARG A 28 7.192 17.153 31.848 1.00 6.27 C ATOM 456 C ARG A 28 6.994 16.451 30.481 1.00 5.62 C ATOM 457 O ARG A 28 6.181 15.538 30.350 1.00 5.24 O ATOM 458 CB ARG A 28 8.170 16.319 32.699 1.00 7.02 C ATOM 459 CG ARG A 28 8.482 16.933 34.069 1.00 11.52 C ATOM 460 CD ARG A 28 9.402 16.054 34.894 1.00 12.83 C ATOM 461 NE ARG A 28 10.766 16.133 34.361 1.00 17.67 N ATOM 462 CZ ARG A 28 11.770 15.291 34.638 1.00 18.70 C ATOM 463 NH1 ARG A 28 11.583 14.255 35.459 1.00 18.52 N ATOM 464 NH2 ARG A 28 12.967 15.488 34.084 1.00 18.30 N ATOM 465 HA ARG A 28 7.604 18.150 31.693 1.00 0.00 H ATOM 466 HB2 ARG A 28 7.733 15.333 32.856 1.00 0.00 H ATOM 467 HB3 ARG A 28 9.105 16.217 32.147 1.00 0.00 H ATOM 468 HG2 ARG A 28 8.961 17.901 33.920 1.00 0.00 H ATOM 469 HG3 ARG A 28 7.548 17.072 34.613 1.00 0.00 H ATOM 470 HD2 ARG A 28 9.054 15.022 34.850 1.00 0.00 H ATOM 471 HD3 ARG A 28 9.397 16.394 35.930 1.00 0.00 H ATOM 472 HE ARG A 28 10.973 16.915 33.708 1.00 0.00 H ATOM 473 HH12 ARG A 28 12.370 13.608 35.667 1.00 0.00 H ATOM 474 HH11 ARG A 28 10.650 14.095 35.891 1.00 0.00 H ATOM 475 HH22 ARG A 28 13.751 14.838 34.295 1.00 0.00 H ATOM 476 HH21 ARG A 28 13.117 16.292 33.441 1.00 0.00 H ATOM 477 H ARG A 28 5.800 16.920 33.497 1.00 0.00 H ATOM 478 N GLY A 29 7.719 16.900 29.467 1.00 4.37 N ATOM 479 CA GLY A 29 7.612 16.259 28.177 1.00 4.27 C ATOM 480 C GLY A 29 6.570 16.850 27.264 1.00 4.22 C ATOM 481 O GLY A 29 6.382 16.331 26.170 1.00 4.36 O ATOM 482 HA3 GLY A 29 7.366 15.209 28.339 1.00 0.00 H ATOM 483 HA2 GLY A 29 8.579 16.332 27.680 1.00 0.00 H ATOM 484 H GLY A 29 8.360 17.708 29.599 1.00 0.00 H ATOM 485 N THR A 30 5.811 17.843 27.727 1.00 4.01 N ATOM 486 CA THR A 30 4.846 18.499 26.835 1.00 4.01 C ATOM 487 C THR A 30 5.726 19.085 25.675 1.00 5.21 C ATOM 488 O THR A 30 6.805 19.641 25.924 1.00 4.32 O ATOM 489 CB THR A 30 4.076 19.581 27.547 1.00 4.10 C ATOM 490 OG1 THR A 30 3.331 18.993 28.625 1.00 4.90 O ATOM 491 CG2 THR A 30 3.101 20.274 26.564 1.00 5.68 C ATOM 492 HA THR A 30 4.087 17.807 26.469 1.00 0.00 H ATOM 493 HB THR A 30 4.772 20.324 27.937 1.00 0.00 H ATOM 494 HG1 THR A 30 3.956 18.556 29.257 1.00 0.00 H ATOM 495 HG23 THR A 30 3.667 20.720 25.746 1.00 0.00 H ATOM 496 HG21 THR A 30 2.404 19.537 26.165 1.00 0.00 H ATOM 497 HG22 THR A 30 2.548 21.051 27.091 1.00 0.00 H ATOM 498 H THR A 30 5.902 18.152 28.716 1.00 0.00 H ATOM 499 N PHE A 31 5.248 19.005 24.442 1.00 4.59 N ATOM 500 CA PHE A 31 6.104 19.416 23.347 1.00 4.06 C ATOM 501 C PHE A 31 5.419 19.909 22.138 1.00 5.22 C ATOM 502 O PHE A 31 4.187 19.827 22.002 1.00 5.04 O ATOM 503 CB PHE A 31 6.963 18.198 22.951 1.00 4.76 C ATOM 504 CG PHE A 31 6.193 17.143 22.143 1.00 3.78 C ATOM 505 CD1 PHE A 31 6.280 17.101 20.749 1.00 5.14 C ATOM 506 CD2 PHE A 31 5.351 16.218 22.782 1.00 5.23 C ATOM 507 CE1 PHE A 31 5.530 16.148 20.001 1.00 4.71 C ATOM 508 CE2 PHE A 31 4.593 15.250 22.033 1.00 4.49 C ATOM 509 CZ PHE A 31 4.686 15.222 20.653 1.00 4.96 C ATOM 510 HA PHE A 31 6.677 20.266 23.717 1.00 0.00 H ATOM 511 HB2 PHE A 31 7.803 18.548 22.351 1.00 0.00 H ATOM 512 HB3 PHE A 31 7.339 17.730 23.861 1.00 0.00 H ATOM 513 HD2 PHE A 31 5.270 16.233 23.869 1.00 0.00 H ATOM 514 HE2 PHE A 31 3.948 14.541 22.552 1.00 0.00 H ATOM 515 HZ PHE A 31 4.115 14.494 20.076 1.00 0.00 H ATOM 516 HE1 PHE A 31 5.608 16.133 18.914 1.00 0.00 H ATOM 517 HD1 PHE A 31 6.929 17.805 20.228 1.00 0.00 H ATOM 518 H PHE A 31 4.284 18.657 24.265 1.00 0.00 H ATOM 519 N LEU A 32 6.231 20.390 21.206 1.00 4.35 N ATOM 520 CA LEU A 32 5.750 20.851 19.900 1.00 4.81 C ATOM 521 C LEU A 32 6.957 20.896 18.982 1.00 5.38 C ATOM 522 O LEU A 32 8.104 20.955 19.456 1.00 5.25 O ATOM 523 CB LEU A 32 5.122 22.245 20.002 1.00 5.05 C ATOM 524 CG LEU A 32 6.010 23.411 20.486 1.00 5.04 C ATOM 525 CD1 LEU A 32 6.811 24.025 19.304 1.00 5.16 C ATOM 526 CD2 LEU A 32 5.134 24.476 21.178 1.00 7.48 C ATOM 527 HA LEU A 32 4.981 20.178 19.521 1.00 0.00 H ATOM 528 HB2 LEU A 32 4.755 22.508 19.010 1.00 0.00 H ATOM 529 HB3 LEU A 32 4.281 22.171 20.691 1.00 0.00 H ATOM 530 HG LEU A 32 6.734 23.031 21.207 1.00 0.00 H ATOM 531 HD21 LEU A 32 4.395 24.852 20.471 1.00 0.00 H ATOM 532 HD22 LEU A 32 4.626 24.028 22.032 1.00 0.00 H ATOM 533 HD23 LEU A 32 5.764 25.298 21.518 1.00 0.00 H ATOM 534 HD11 LEU A 32 7.448 23.259 18.861 1.00 0.00 H ATOM 535 HD12 LEU A 32 6.117 24.401 18.553 1.00 0.00 H ATOM 536 HD13 LEU A 32 7.429 24.844 19.672 1.00 0.00 H ATOM 537 H LEU A 32 7.250 20.442 21.410 1.00 0.00 H ATOM 538 N VAL A 33 6.713 20.825 17.673 1.00 5.10 N ATOM 539 CA VAL A 33 7.805 20.913 16.706 1.00 5.12 C ATOM 540 C VAL A 33 7.502 22.157 15.915 1.00 6.71 C ATOM 541 O VAL A 33 6.343 22.424 15.575 1.00 7.18 O ATOM 542 CB VAL A 33 7.864 19.689 15.806 1.00 5.55 C ATOM 543 CG1 VAL A 33 8.911 19.888 14.684 1.00 6.51 C ATOM 544 CG2 VAL A 33 8.206 18.446 16.654 1.00 5.22 C ATOM 545 HA VAL A 33 8.779 20.954 17.194 1.00 0.00 H ATOM 546 HB VAL A 33 6.892 19.544 15.335 1.00 0.00 H ATOM 547 HG11 VAL A 33 8.638 20.756 14.084 1.00 0.00 H ATOM 548 HG12 VAL A 33 9.893 20.047 15.129 1.00 0.00 H ATOM 549 HG13 VAL A 33 8.937 19.001 14.052 1.00 0.00 H ATOM 550 HG21 VAL A 33 9.173 18.591 17.136 1.00 0.00 H ATOM 551 HG22 VAL A 33 7.438 18.303 17.414 1.00 0.00 H ATOM 552 HG23 VAL A 33 8.248 17.568 16.009 1.00 0.00 H ATOM 553 H VAL A 33 5.736 20.706 17.337 1.00 0.00 H ATOM 554 N ARG A 34 8.524 22.954 15.645 1.00 5.73 N ATOM 555 CA ARG A 34 8.328 24.195 14.919 1.00 6.15 C ATOM 556 C ARG A 34 9.518 24.406 13.981 1.00 5.88 C ATOM 557 O ARG A 34 10.507 23.664 14.035 1.00 6.57 O ATOM 558 CB ARG A 34 8.256 25.353 15.916 1.00 5.72 C ATOM 559 CG ARG A 34 9.533 25.520 16.766 1.00 6.48 C ATOM 560 CD ARG A 34 9.412 26.635 17.787 1.00 5.67 C ATOM 561 NE ARG A 34 10.559 26.692 18.703 1.00 5.88 N ATOM 562 CZ ARG A 34 11.712 27.316 18.436 1.00 7.69 C ATOM 563 NH1 ARG A 34 12.701 27.323 19.325 1.00 7.93 N ATOM 564 NH2 ARG A 34 11.869 27.981 17.300 1.00 8.07 N ATOM 565 HA ARG A 34 7.403 24.153 14.343 1.00 0.00 H ATOM 566 HB2 ARG A 34 8.089 26.276 15.361 1.00 0.00 H ATOM 567 HB3 ARG A 34 7.416 25.177 16.588 1.00 0.00 H ATOM 568 HG2 ARG A 34 9.728 24.585 17.291 1.00 0.00 H ATOM 569 HG3 ARG A 34 10.368 25.743 16.102 1.00 0.00 H ATOM 570 HD2 ARG A 34 8.506 26.476 18.372 1.00 0.00 H ATOM 571 HD3 ARG A 34 9.340 27.586 17.259 1.00 0.00 H ATOM 572 HE ARG A 34 10.469 26.214 19.622 1.00 0.00 H ATOM 573 HH12 ARG A 34 13.593 27.811 19.107 1.00 0.00 H ATOM 574 HH11 ARG A 34 12.583 26.840 20.239 1.00 0.00 H ATOM 575 HH22 ARG A 34 12.768 28.463 17.100 1.00 0.00 H ATOM 576 HH21 ARG A 34 11.093 28.020 16.609 1.00 0.00 H ATOM 577 H ARG A 34 9.480 22.687 15.957 1.00 0.00 H ATOM 578 N GLU A 35 9.393 25.383 13.086 1.00 7.21 N ATOM 579 CA GLU A 35 10.499 25.708 12.207 1.00 8.13 C ATOM 580 C GLU A 35 11.612 26.389 13.084 1.00 7.56 C ATOM 581 O GLU A 35 11.339 27.009 14.102 1.00 7.77 O ATOM 582 CB GLU A 35 10.104 26.743 11.172 1.00 9.79 C ATOM 583 CG GLU A 35 9.068 26.320 10.190 1.00 11.48 C ATOM 584 CD GLU A 35 8.940 27.316 9.052 1.00 15.22 C ATOM 585 OE1 GLU A 35 8.290 26.934 8.037 1.00 17.62 O ATOM 586 OE2 GLU A 35 9.465 28.471 9.162 1.00 14.38 O ATOM 587 HA GLU A 35 10.823 24.792 11.713 1.00 0.00 H ATOM 588 HB2 GLU A 35 9.725 27.617 11.702 1.00 0.00 H ATOM 589 HB3 GLU A 35 11.000 27.017 10.615 1.00 0.00 H ATOM 590 HG2 GLU A 35 9.343 25.348 9.781 1.00 0.00 H ATOM 591 HG3 GLU A 35 8.108 26.239 10.700 1.00 0.00 H ATOM 592 H GLU A 35 8.501 25.914 13.017 1.00 0.00 H ATOM 593 N SER A 36 12.854 26.227 12.660 1.00 7.86 N ATOM 594 CA SER A 36 13.967 26.861 13.329 1.00 8.20 C ATOM 595 C SER A 36 13.844 28.344 12.923 1.00 8.91 C ATOM 596 O SER A 36 13.459 28.632 11.787 1.00 9.66 O ATOM 597 CB SER A 36 15.285 26.304 12.753 1.00 8.02 C ATOM 598 OG SER A 36 16.352 27.232 12.884 1.00 8.61 O ATOM 599 HA SER A 36 13.963 26.703 14.407 1.00 0.00 H ATOM 600 HB2 SER A 36 15.141 26.078 11.696 1.00 0.00 H ATOM 601 HB3 SER A 36 15.545 25.390 13.286 1.00 0.00 H ATOM 602 HG SER A 36 17.178 26.839 12.504 1.00 0.00 H ATOM 603 H SER A 36 13.034 25.631 11.827 1.00 0.00 H ATOM 604 N GLU A 37 14.221 29.272 13.797 1.00 8.33 N ATOM 605 CA GLU A 37 14.192 30.701 13.444 1.00 10.50 C ATOM 606 C GLU A 37 15.422 31.062 12.596 1.00 11.65 C ATOM 607 O GLU A 37 15.399 32.031 11.835 1.00 13.87 O ATOM 608 CB GLU A 37 14.301 31.583 14.677 1.00 10.21 C ATOM 609 CG GLU A 37 13.057 31.684 15.545 1.00 9.50 C ATOM 610 CD GLU A 37 13.244 32.645 16.716 1.00 11.00 C ATOM 611 OE1 GLU A 37 14.299 33.317 16.803 1.00 9.80 O ATOM 612 OE2 GLU A 37 12.322 32.731 17.571 1.00 9.26 O ATOM 613 HA GLU A 37 13.252 30.865 12.918 1.00 0.00 H ATOM 614 HB2 GLU A 37 15.107 31.190 15.296 1.00 0.00 H ATOM 615 HB3 GLU A 37 14.557 32.589 14.344 1.00 0.00 H ATOM 616 HG2 GLU A 37 12.228 32.036 14.931 1.00 0.00 H ATOM 617 HG3 GLU A 37 12.822 30.695 15.937 1.00 0.00 H ATOM 618 H GLU A 37 14.541 28.984 14.744 1.00 0.00 H ATOM 619 N THR A 38 16.493 30.294 12.778 1.00 13.75 N ATOM 620 CA THR A 38 17.787 30.549 12.135 1.00 15.03 C ATOM 621 C THR A 38 18.216 29.682 10.919 1.00 15.24 C ATOM 622 O THR A 38 19.075 30.106 10.124 1.00 14.54 O ATOM 623 CB THR A 38 18.930 30.298 13.155 1.00 15.41 C ATOM 624 OG1 THR A 38 18.990 28.890 13.434 1.00 17.13 O ATOM 625 CG2 THR A 38 18.717 31.027 14.440 1.00 15.84 C ATOM 626 HA THR A 38 17.638 31.568 11.778 1.00 0.00 H ATOM 627 HB THR A 38 19.857 30.664 12.714 1.00 0.00 H ATOM 628 HG1 THR A 38 19.716 28.714 14.084 1.00 0.00 H ATOM 629 HG23 THR A 38 18.669 32.098 14.245 1.00 0.00 H ATOM 630 HG21 THR A 38 17.782 30.697 14.893 1.00 0.00 H ATOM 631 HG22 THR A 38 19.545 30.816 15.117 1.00 0.00 H ATOM 632 H THR A 38 16.409 29.471 13.408 1.00 0.00 H ATOM 633 N THR A 39 17.728 28.444 10.874 1.00 14.79 N ATOM 634 CA THR A 39 18.135 27.497 9.845 1.00 16.10 C ATOM 635 C THR A 39 17.098 27.008 8.901 1.00 16.52 C ATOM 636 O THR A 39 16.183 26.254 9.265 1.00 15.09 O ATOM 637 CB THR A 39 18.845 26.298 10.490 1.00 16.55 C ATOM 638 OG1 THR A 39 19.789 26.786 11.443 1.00 17.24 O ATOM 639 CG2 THR A 39 19.585 25.470 9.448 1.00 17.65 C ATOM 640 HA THR A 39 18.798 28.089 9.214 1.00 0.00 H ATOM 641 HB THR A 39 18.097 25.665 10.967 1.00 0.00 H ATOM 642 HG1 THR A 39 19.315 27.311 12.136 1.00 0.00 H ATOM 643 HG23 THR A 39 18.873 25.092 8.714 1.00 0.00 H ATOM 644 HG21 THR A 39 20.326 26.094 8.949 1.00 0.00 H ATOM 645 HG22 THR A 39 20.083 24.633 9.938 1.00 0.00 H ATOM 646 H THR A 39 17.038 28.145 11.593 1.00 0.00 H ATOM 647 N LYS A 40 17.282 27.392 7.641 1.00 17.03 N ATOM 648 CA LYS A 40 16.381 26.994 6.582 1.00 18.21 C ATOM 649 C LYS A 40 16.358 25.446 6.547 1.00 18.30 C ATOM 650 O LYS A 40 17.399 24.776 6.688 1.00 18.89 O ATOM 651 CB LYS A 40 16.847 27.548 5.230 1.00 20.47 C ATOM 652 CG LYS A 40 18.087 26.842 4.645 1.00 25.36 C ATOM 653 CD LYS A 40 19.309 26.959 5.572 1.00 28.79 C ATOM 654 CE LYS A 40 20.062 25.622 5.704 1.00 30.44 C ATOM 655 NZ LYS A 40 21.120 25.611 6.795 1.00 33.87 N ATOM 656 HA LYS A 40 15.384 27.391 6.770 1.00 0.00 H ATOM 657 HB2 LYS A 40 16.028 27.444 4.518 1.00 0.00 H ATOM 658 HB3 LYS A 40 17.084 28.604 5.358 1.00 0.00 H ATOM 659 HG2 LYS A 40 17.855 25.787 4.499 1.00 0.00 H ATOM 660 HG3 LYS A 40 18.330 27.295 3.684 1.00 0.00 H ATOM 661 HD2 LYS A 40 19.989 27.708 5.166 1.00 0.00 H ATOM 662 HD3 LYS A 40 18.973 27.273 6.560 1.00 0.00 H ATOM 663 HE2 LYS A 40 20.549 25.407 4.753 1.00 0.00 H ATOM 664 HE3 LYS A 40 19.335 24.840 5.923 1.00 0.00 H ATOM 665 HZ1 LYS A 40 21.830 26.344 6.595 1.00 0.00 H ATOM 666 HZ2 LYS A 40 20.671 25.802 7.713 1.00 0.00 H ATOM 667 HZ3 LYS A 40 21.581 24.679 6.820 1.00 0.00 H ATOM 668 H LYS A 40 18.097 27.996 7.411 1.00 0.00 H ATOM 669 N GLY A 41 15.157 24.896 6.443 1.00 18.16 N ATOM 670 CA GLY A 41 15.002 23.459 6.385 1.00 17.24 C ATOM 671 C GLY A 41 15.202 22.694 7.682 1.00 16.44 C ATOM 672 O GLY A 41 15.108 21.468 7.658 1.00 16.67 O ATOM 673 HA3 GLY A 41 15.724 23.078 5.663 1.00 0.00 H ATOM 674 HA2 GLY A 41 13.992 23.250 6.031 1.00 0.00 H ATOM 675 H GLY A 41 14.315 25.505 6.403 1.00 0.00 H ATOM 676 N ALA A 42 15.509 23.395 8.780 1.00 14.42 N ATOM 677 CA ALA A 42 15.698 22.732 10.056 1.00 12.28 C ATOM 678 C ALA A 42 14.505 22.981 10.918 1.00 11.39 C ATOM 679 O ALA A 42 13.748 23.937 10.691 1.00 10.53 O ATOM 680 CB ALA A 42 16.960 23.228 10.743 1.00 13.09 C ATOM 681 HA ALA A 42 15.810 21.661 9.887 1.00 0.00 H ATOM 682 HB1 ALA A 42 17.822 23.022 10.109 1.00 0.00 H ATOM 683 HB2 ALA A 42 16.881 24.302 10.913 1.00 0.00 H ATOM 684 HB3 ALA A 42 17.078 22.715 11.697 1.00 0.00 H ATOM 685 H ALA A 42 15.613 24.428 8.717 1.00 0.00 H ATOM 686 N TYR A 43 14.329 22.128 11.922 1.00 9.60 N ATOM 687 CA TYR A 43 13.202 22.231 12.860 1.00 8.60 C ATOM 688 C TYR A 43 13.709 22.271 14.238 1.00 8.03 C ATOM 689 O TYR A 43 14.881 21.963 14.496 1.00 6.86 O ATOM 690 CB TYR A 43 12.295 20.999 12.745 1.00 10.09 C ATOM 691 CG TYR A 43 11.717 20.816 11.374 1.00 12.24 C ATOM 692 CD1 TYR A 43 12.318 19.954 10.456 1.00 14.35 C ATOM 693 CD2 TYR A 43 10.590 21.526 10.978 1.00 13.89 C ATOM 694 CE1 TYR A 43 11.806 19.804 9.173 1.00 15.76 C ATOM 695 CE2 TYR A 43 10.060 21.389 9.690 1.00 15.65 C ATOM 696 CZ TYR A 43 10.673 20.525 8.798 1.00 16.83 C ATOM 697 OH TYR A 43 10.146 20.343 7.538 1.00 18.89 O ATOM 698 HA TYR A 43 12.645 23.136 12.619 1.00 0.00 H ATOM 699 HB3 TYR A 43 11.475 21.105 13.455 1.00 0.00 H ATOM 700 HB2 TYR A 43 12.879 20.114 12.996 1.00 0.00 H ATOM 701 HD2 TYR A 43 10.109 22.203 11.684 1.00 0.00 H ATOM 702 HE2 TYR A 43 9.177 21.955 9.393 1.00 0.00 H ATOM 703 HE1 TYR A 43 12.286 19.128 8.465 1.00 0.00 H ATOM 704 HD1 TYR A 43 13.203 19.390 10.750 1.00 0.00 H ATOM 705 HH TYR A 43 10.706 19.698 7.038 1.00 0.00 H ATOM 706 H TYR A 43 15.016 21.357 12.049 1.00 0.00 H ATOM 707 N CYS A 44 12.822 22.644 15.158 1.00 7.35 N ATOM 708 CA CYS A 44 13.139 22.679 16.581 1.00 8.13 C ATOM 709 C CYS A 44 12.065 21.938 17.332 1.00 7.54 C ATOM 710 O CYS A 44 10.865 22.124 17.082 1.00 6.95 O ATOM 711 CB CYS A 44 13.178 24.097 17.148 1.00 10.10 C ATOM 712 SG CYS A 44 14.375 25.228 16.409 1.00 18.56 S ATOM 713 HA CYS A 44 14.126 22.230 16.696 1.00 0.00 H ATOM 714 HB2 CYS A 44 13.405 24.022 18.211 1.00 0.00 H ATOM 715 HB3 CYS A 44 12.187 24.533 17.019 1.00 0.00 H ATOM 716 HG CYS A 44 14.285 26.458 17.027 1.00 0.00 H ATOM 717 H CYS A 44 11.868 22.921 14.851 1.00 0.00 H ATOM 718 N LEU A 45 12.508 21.063 18.218 1.00 5.77 N ATOM 719 CA LEU A 45 11.625 20.305 19.087 1.00 5.71 C ATOM 720 C LEU A 45 11.708 21.070 20.459 1.00 6.14 C ATOM 721 O LEU A 45 12.773 21.096 21.112 1.00 5.66 O ATOM 722 CB LEU A 45 12.134 18.878 19.256 1.00 5.63 C ATOM 723 CG LEU A 45 11.465 18.010 20.336 1.00 4.86 C ATOM 724 CD1 LEU A 45 9.990 17.776 19.982 1.00 4.54 C ATOM 725 CD2 LEU A 45 12.201 16.658 20.439 1.00 5.69 C ATOM 726 HA LEU A 45 10.611 20.231 18.695 1.00 0.00 H ATOM 727 HB2 LEU A 45 12.004 18.369 18.301 1.00 0.00 H ATOM 728 HB3 LEU A 45 13.196 18.936 19.494 1.00 0.00 H ATOM 729 HG LEU A 45 11.519 18.525 21.295 1.00 0.00 H ATOM 730 HD21 LEU A 45 12.152 16.145 19.478 1.00 0.00 H ATOM 731 HD22 LEU A 45 13.243 16.833 20.707 1.00 0.00 H ATOM 732 HD23 LEU A 45 11.726 16.044 21.204 1.00 0.00 H ATOM 733 HD11 LEU A 45 9.475 18.735 19.922 1.00 0.00 H ATOM 734 HD12 LEU A 45 9.925 17.267 19.020 1.00 0.00 H ATOM 735 HD13 LEU A 45 9.526 17.161 20.753 1.00 0.00 H ATOM 736 H LEU A 45 13.534 20.911 18.296 1.00 0.00 H ATOM 737 N SER A 46 10.607 21.694 20.857 1.00 5.11 N ATOM 738 CA SER A 46 10.577 22.471 22.099 1.00 4.44 C ATOM 739 C SER A 46 9.861 21.648 23.125 1.00 4.08 C ATOM 740 O SER A 46 8.721 21.208 22.900 1.00 3.79 O ATOM 741 CB SER A 46 9.931 23.831 21.842 1.00 4.60 C ATOM 742 OG SER A 46 10.678 24.543 20.854 1.00 4.74 O ATOM 743 HA SER A 46 11.577 22.686 22.475 1.00 0.00 H ATOM 744 HB2 SER A 46 9.916 24.406 22.768 1.00 0.00 H ATOM 745 HB3 SER A 46 8.910 23.686 21.489 1.00 0.00 H ATOM 746 HG SER A 46 11.605 24.676 21.175 1.00 0.00 H ATOM 747 H SER A 46 9.747 21.630 20.275 1.00 0.00 H ATOM 748 N VAL A 47 10.504 21.452 24.273 1.00 3.57 N ATOM 749 CA VAL A 47 9.967 20.538 25.277 1.00 4.41 C ATOM 750 C VAL A 47 9.917 21.137 26.668 1.00 4.97 C ATOM 751 O VAL A 47 10.858 21.843 27.074 1.00 5.04 O ATOM 752 CB VAL A 47 10.843 19.240 25.318 1.00 3.84 C ATOM 753 CG1 VAL A 47 10.195 18.156 26.202 1.00 6.38 C ATOM 754 CG2 VAL A 47 11.085 18.697 23.910 1.00 5.06 C ATOM 755 HA VAL A 47 8.941 20.317 24.983 1.00 0.00 H ATOM 756 HB VAL A 47 11.804 19.509 25.756 1.00 0.00 H ATOM 757 HG11 VAL A 47 10.087 18.535 27.218 1.00 0.00 H ATOM 758 HG12 VAL A 47 9.214 17.901 25.801 1.00 0.00 H ATOM 759 HG13 VAL A 47 10.828 17.269 26.209 1.00 0.00 H ATOM 760 HG21 VAL A 47 10.129 18.459 23.444 1.00 0.00 H ATOM 761 HG22 VAL A 47 11.603 19.450 23.316 1.00 0.00 H ATOM 762 HG23 VAL A 47 11.696 17.796 23.969 1.00 0.00 H ATOM 763 H VAL A 47 11.396 21.954 24.457 1.00 0.00 H ATOM 764 N SER A 48 8.823 20.891 27.401 1.00 4.17 N ATOM 765 CA SER A 48 8.724 21.391 28.769 1.00 6.21 C ATOM 766 C SER A 48 9.390 20.363 29.714 1.00 6.06 C ATOM 767 O SER A 48 9.434 19.133 29.444 1.00 4.99 O ATOM 768 CB SER A 48 7.268 21.638 29.224 1.00 5.96 C ATOM 769 OG SER A 48 6.545 20.435 29.407 1.00 7.36 O ATOM 770 HA SER A 48 9.230 22.356 28.805 1.00 0.00 H ATOM 771 HB2 SER A 48 6.762 22.238 28.468 1.00 0.00 H ATOM 772 HB3 SER A 48 7.284 22.183 30.168 1.00 0.00 H ATOM 773 HG SER A 48 6.992 19.885 30.098 1.00 0.00 H ATOM 774 H SER A 48 8.040 20.341 26.993 1.00 0.00 H ATOM 775 N ASP A 49 9.927 20.903 30.796 1.00 7.22 N ATOM 776 CA ASP A 49 10.571 20.101 31.799 1.00 7.58 C ATOM 777 C ASP A 49 10.247 20.746 33.155 1.00 6.93 C ATOM 778 O ASP A 49 9.718 21.872 33.231 1.00 6.99 O ATOM 779 CB ASP A 49 12.090 20.069 31.552 1.00 8.85 C ATOM 780 CG ASP A 49 12.820 18.992 32.381 1.00 10.94 C ATOM 781 OD1 ASP A 49 12.183 18.022 32.880 1.00 8.94 O ATOM 782 OD2 ASP A 49 14.063 19.100 32.477 1.00 11.67 O ATOM 783 HA ASP A 49 10.218 19.070 31.773 1.00 0.00 H ATOM 784 HB2 ASP A 49 12.265 19.870 30.495 1.00 0.00 H ATOM 785 HB3 ASP A 49 12.503 21.044 31.810 1.00 0.00 H ATOM 786 H ASP A 49 9.882 21.934 30.924 1.00 0.00 H ATOM 787 N PHE A 50 10.523 20.003 34.218 1.00 7.17 N ATOM 788 CA PHE A 50 10.287 20.513 35.549 1.00 7.65 C ATOM 789 C PHE A 50 11.178 19.786 36.514 1.00 8.49 C ATOM 790 O PHE A 50 11.260 18.561 36.460 1.00 9.65 O ATOM 791 CB PHE A 50 8.811 20.278 35.961 1.00 7.94 C ATOM 792 CG PHE A 50 8.484 20.762 37.361 1.00 6.29 C ATOM 793 CD1 PHE A 50 8.779 19.979 38.480 1.00 6.32 C ATOM 794 CD2 PHE A 50 7.984 22.030 37.560 1.00 7.73 C ATOM 795 CE1 PHE A 50 8.588 20.468 39.777 1.00 6.78 C ATOM 796 CE2 PHE A 50 7.787 22.541 38.868 1.00 7.88 C ATOM 797 CZ PHE A 50 8.097 21.743 39.975 1.00 7.70 C ATOM 798 HA PHE A 50 10.498 21.582 35.563 1.00 0.00 H ATOM 799 HB2 PHE A 50 8.168 20.805 35.256 1.00 0.00 H ATOM 800 HB3 PHE A 50 8.605 19.209 35.909 1.00 0.00 H ATOM 801 HD2 PHE A 50 7.736 22.650 36.699 1.00 0.00 H ATOM 802 HE2 PHE A 50 7.397 23.549 39.010 1.00 0.00 H ATOM 803 HZ PHE A 50 7.952 22.125 40.985 1.00 0.00 H ATOM 804 HE1 PHE A 50 8.828 19.840 40.635 1.00 0.00 H ATOM 805 HD1 PHE A 50 9.165 18.969 38.340 1.00 0.00 H ATOM 806 H PHE A 50 10.912 19.047 34.093 1.00 0.00 H ATOM 807 N ASP A 51 11.881 20.528 37.371 1.00 8.55 N ATOM 808 CA ASP A 51 12.648 19.891 38.437 1.00 9.98 C ATOM 809 C ASP A 51 12.701 20.838 39.576 1.00 10.86 C ATOM 810 O ASP A 51 12.257 22.000 39.453 1.00 11.36 O ATOM 811 CB ASP A 51 14.010 19.303 38.002 1.00 11.38 C ATOM 812 CG ASP A 51 15.027 20.353 37.557 1.00 13.52 C ATOM 813 OD1 ASP A 51 15.783 20.087 36.594 1.00 13.47 O ATOM 814 OD2 ASP A 51 15.120 21.401 38.202 1.00 13.74 O ATOM 815 HA ASP A 51 12.137 18.983 38.755 1.00 0.00 H ATOM 816 HB2 ASP A 51 14.431 18.753 38.844 1.00 0.00 H ATOM 817 HB3 ASP A 51 13.838 18.618 37.172 1.00 0.00 H ATOM 818 H ASP A 51 11.883 21.564 37.279 1.00 0.00 H ATOM 819 N ASN A 52 13.200 20.380 40.718 1.00 11.32 N ATOM 820 CA ASN A 52 13.209 21.253 41.877 1.00 12.74 C ATOM 821 C ASN A 52 14.210 22.354 41.806 1.00 13.11 C ATOM 822 O ASN A 52 14.083 23.347 42.535 1.00 14.43 O ATOM 823 CB ASN A 52 13.332 20.451 43.192 1.00 13.82 C ATOM 824 CG ASN A 52 12.038 19.672 43.554 1.00 14.43 C ATOM 825 OD1 ASN A 52 10.931 20.004 43.110 1.00 16.39 O ATOM 826 ND2 ASN A 52 12.196 18.622 44.335 1.00 13.96 N ATOM 827 HA ASN A 52 12.239 21.750 41.871 1.00 0.00 H ATOM 828 HB2 ASN A 52 14.149 19.737 43.088 1.00 0.00 H ATOM 829 HB3 ASN A 52 13.558 21.145 44.002 1.00 0.00 H ATOM 830 HD22 ASN A 52 13.142 18.375 44.689 1.00 0.00 H ATOM 831 HD21 ASN A 52 11.374 18.041 44.598 1.00 0.00 H ATOM 832 H ASN A 52 13.578 19.413 40.781 1.00 0.00 H ATOM 833 N ALA A 53 15.213 22.196 40.949 1.00 12.93 N ATOM 834 CA ALA A 53 16.225 23.239 40.775 1.00 14.23 C ATOM 835 C ALA A 53 15.721 24.408 39.877 1.00 14.80 C ATOM 836 O ALA A 53 15.792 25.578 40.261 1.00 15.72 O ATOM 837 CB ALA A 53 17.550 22.649 40.199 1.00 13.59 C ATOM 838 HA ALA A 53 16.424 23.647 41.766 1.00 0.00 H ATOM 839 HB1 ALA A 53 17.939 21.897 40.885 1.00 0.00 H ATOM 840 HB2 ALA A 53 17.351 22.191 39.230 1.00 0.00 H ATOM 841 HB3 ALA A 53 18.281 23.449 40.081 1.00 0.00 H ATOM 842 H ALA A 53 15.280 21.319 40.394 1.00 0.00 H ATOM 843 N LYS A 54 15.189 24.077 38.706 1.00 14.92 N ATOM 844 CA LYS A 54 14.735 25.097 37.751 1.00 14.90 C ATOM 845 C LYS A 54 13.258 25.326 37.700 1.00 14.44 C ATOM 846 O LYS A 54 12.796 26.278 37.057 1.00 14.32 O ATOM 847 CB LYS A 54 15.181 24.714 36.329 1.00 16.29 C ATOM 848 CG LYS A 54 16.664 24.400 36.188 1.00 17.90 C ATOM 849 CD LYS A 54 17.083 24.216 34.754 1.00 19.38 C ATOM 850 CE LYS A 54 18.536 24.662 34.617 1.00 21.77 C ATOM 851 NZ LYS A 54 18.865 25.076 33.211 1.00 24.17 N ATOM 852 HA LYS A 54 15.189 26.020 38.111 1.00 0.00 H ATOM 853 HB2 LYS A 54 14.617 23.833 36.022 1.00 0.00 H ATOM 854 HB3 LYS A 54 14.945 25.545 35.664 1.00 0.00 H ATOM 855 HG2 LYS A 54 17.237 25.222 36.617 1.00 0.00 H ATOM 856 HG3 LYS A 54 16.881 23.483 36.736 1.00 0.00 H ATOM 857 HD2 LYS A 54 16.992 23.166 34.475 1.00 0.00 H ATOM 858 HD3 LYS A 54 16.449 24.820 34.104 1.00 0.00 H ATOM 859 HE2 LYS A 54 19.187 23.836 34.903 1.00 0.00 H ATOM 860 HE3 LYS A 54 18.710 25.507 35.283 1.00 0.00 H ATOM 861 HZ1 LYS A 54 18.708 24.273 32.569 1.00 0.00 H ATOM 862 HZ2 LYS A 54 18.253 25.869 32.932 1.00 0.00 H ATOM 863 HZ3 LYS A 54 19.861 25.371 33.162 1.00 0.00 H ATOM 864 H LYS A 54 15.091 23.071 38.459 1.00 0.00 H ATOM 865 N GLY A 55 12.492 24.448 38.347 1.00 13.03 N ATOM 866 CA GLY A 55 11.048 24.558 38.255 1.00 10.78 C ATOM 867 C GLY A 55 10.661 24.262 36.793 1.00 9.63 C ATOM 868 O GLY A 55 11.330 23.484 36.096 1.00 8.70 O ATOM 869 HA3 GLY A 55 10.732 25.564 38.529 1.00 0.00 H ATOM 870 HA2 GLY A 55 10.575 23.836 38.920 1.00 0.00 H ATOM 871 H GLY A 55 12.925 23.691 38.913 1.00 0.00 H ATOM 872 N LEU A 56 9.581 24.898 36.344 1.00 9.20 N ATOM 873 CA LEU A 56 9.045 24.729 34.991 1.00 9.27 C ATOM 874 C LEU A 56 9.946 25.432 34.041 1.00 8.68 C ATOM 875 O LEU A 56 10.189 26.630 34.186 1.00 9.28 O ATOM 876 CB LEU A 56 7.635 25.337 34.902 1.00 10.38 C ATOM 877 CG LEU A 56 6.866 25.206 33.592 1.00 11.24 C ATOM 878 CD1 LEU A 56 6.702 23.745 33.271 1.00 11.47 C ATOM 879 CD2 LEU A 56 5.510 25.903 33.698 1.00 13.20 C ATOM 880 HA LEU A 56 8.985 23.668 34.747 1.00 0.00 H ATOM 881 HB2 LEU A 56 7.032 24.865 35.678 1.00 0.00 H ATOM 882 HB3 LEU A 56 7.730 26.402 35.114 1.00 0.00 H ATOM 883 HG LEU A 56 7.420 25.689 32.787 1.00 0.00 H ATOM 884 HD21 LEU A 56 4.929 25.445 34.499 1.00 0.00 H ATOM 885 HD22 LEU A 56 5.662 26.960 33.917 1.00 0.00 H ATOM 886 HD23 LEU A 56 4.975 25.799 32.754 1.00 0.00 H ATOM 887 HD11 LEU A 56 7.685 23.284 33.171 1.00 0.00 H ATOM 888 HD12 LEU A 56 6.150 23.257 34.075 1.00 0.00 H ATOM 889 HD13 LEU A 56 6.153 23.639 32.335 1.00 0.00 H ATOM 890 H LEU A 56 9.091 25.550 36.989 1.00 0.00 H ATOM 891 N ASN A 57 10.456 24.706 33.053 1.00 7.84 N ATOM 892 CA ASN A 57 11.370 25.317 32.105 1.00 8.17 C ATOM 893 C ASN A 57 11.270 24.631 30.749 1.00 7.72 C ATOM 894 O ASN A 57 10.654 23.563 30.627 1.00 8.95 O ATOM 895 CB ASN A 57 12.810 25.343 32.672 1.00 8.26 C ATOM 896 CG ASN A 57 13.439 23.964 32.744 1.00 8.25 C ATOM 897 OD1 ASN A 57 14.244 23.594 31.889 1.00 9.30 O ATOM 898 ND2 ASN A 57 13.049 23.176 33.746 1.00 8.31 N ATOM 899 HA ASN A 57 11.084 26.357 31.948 1.00 0.00 H ATOM 900 HB2 ASN A 57 13.426 25.974 32.031 1.00 0.00 H ATOM 901 HB3 ASN A 57 12.782 25.766 33.676 1.00 0.00 H ATOM 902 HD22 ASN A 57 12.367 23.527 34.448 1.00 0.00 H ATOM 903 HD21 ASN A 57 13.427 22.210 33.826 1.00 0.00 H ATOM 904 H ASN A 57 10.201 23.702 32.959 1.00 0.00 H ATOM 905 N VAL A 58 11.897 25.235 29.737 1.00 7.45 N ATOM 906 CA VAL A 58 11.804 24.723 28.370 1.00 7.07 C ATOM 907 C VAL A 58 13.187 24.479 27.747 1.00 7.41 C ATOM 908 O VAL A 58 14.092 25.298 27.914 1.00 7.59 O ATOM 909 CB VAL A 58 11.042 25.775 27.459 1.00 8.07 C ATOM 910 CG1 VAL A 58 10.954 25.314 25.995 1.00 6.24 C ATOM 911 CG2 VAL A 58 9.627 26.071 28.042 1.00 7.69 C ATOM 912 HA VAL A 58 11.268 23.775 28.420 1.00 0.00 H ATOM 913 HB VAL A 58 11.621 26.698 27.464 1.00 0.00 H ATOM 914 HG11 VAL A 58 11.960 25.183 25.596 1.00 0.00 H ATOM 915 HG12 VAL A 58 10.416 24.367 25.945 1.00 0.00 H ATOM 916 HG13 VAL A 58 10.424 26.066 25.410 1.00 0.00 H ATOM 917 HG21 VAL A 58 9.050 25.147 28.078 1.00 0.00 H ATOM 918 HG22 VAL A 58 9.728 26.478 29.048 1.00 0.00 H ATOM 919 HG23 VAL A 58 9.117 26.794 27.406 1.00 0.00 H ATOM 920 H VAL A 58 12.463 26.087 29.924 1.00 0.00 H ATOM 921 N LYS A 59 13.306 23.393 26.991 1.00 6.38 N ATOM 922 CA LYS A 59 14.535 23.080 26.259 1.00 6.96 C ATOM 923 C LYS A 59 14.176 23.060 24.793 1.00 6.69 C ATOM 924 O LYS A 59 13.041 22.721 24.419 1.00 6.08 O ATOM 925 CB LYS A 59 15.119 21.731 26.667 1.00 7.66 C ATOM 926 CG LYS A 59 15.845 21.736 28.047 1.00 11.73 C ATOM 927 CD LYS A 59 17.070 22.691 28.058 1.00 16.14 C ATOM 928 CE LYS A 59 17.665 22.847 29.470 1.00 18.98 C ATOM 929 NZ LYS A 59 18.415 24.154 29.705 1.00 20.13 N ATOM 930 HA LYS A 59 15.295 23.829 26.482 1.00 0.00 H ATOM 931 HB2 LYS A 59 14.306 21.006 26.711 1.00 0.00 H ATOM 932 HB3 LYS A 59 15.836 21.425 25.905 1.00 0.00 H ATOM 933 HG2 LYS A 59 15.141 22.058 28.814 1.00 0.00 H ATOM 934 HG3 LYS A 59 16.185 20.725 28.269 1.00 0.00 H ATOM 935 HD2 LYS A 59 17.836 22.289 27.395 1.00 0.00 H ATOM 936 HD3 LYS A 59 16.757 23.671 27.697 1.00 0.00 H ATOM 937 HE2 LYS A 59 18.358 22.023 29.640 1.00 0.00 H ATOM 938 HE3 LYS A 59 16.849 22.789 30.191 1.00 0.00 H ATOM 939 HZ1 LYS A 59 19.207 24.223 29.035 1.00 0.00 H ATOM 940 HZ2 LYS A 59 17.767 24.955 29.561 1.00 0.00 H ATOM 941 HZ3 LYS A 59 18.780 24.173 30.679 1.00 0.00 H ATOM 942 H LYS A 59 12.498 22.742 26.916 1.00 0.00 H ATOM 943 N HIS A 60 15.131 23.425 23.942 1.00 5.42 N ATOM 944 CA HIS A 60 14.913 23.441 22.496 1.00 6.09 C ATOM 945 C HIS A 60 15.985 22.565 21.873 1.00 6.54 C ATOM 946 O HIS A 60 17.156 22.717 22.218 1.00 6.84 O ATOM 947 CB HIS A 60 15.040 24.880 21.968 1.00 6.00 C ATOM 948 CG HIS A 60 14.073 25.838 22.600 1.00 5.79 C ATOM 949 ND1 HIS A 60 12.734 25.883 22.279 1.00 4.86 N ATOM 950 CD2 HIS A 60 14.264 26.782 23.552 1.00 6.52 C ATOM 951 CE1 HIS A 60 12.138 26.805 23.003 1.00 4.85 C ATOM 952 NE2 HIS A 60 13.044 27.369 23.789 1.00 7.04 N ATOM 953 HA HIS A 60 13.918 23.072 22.247 1.00 0.00 H ATOM 954 HB2 HIS A 60 16.053 25.232 22.165 1.00 0.00 H ATOM 955 HB3 HIS A 60 14.863 24.870 20.893 1.00 0.00 H ATOM 956 HD2 HIS A 60 15.207 27.030 24.039 1.00 0.00 H ATOM 957 HE1 HIS A 60 11.079 27.062 22.963 1.00 0.00 H ATOM 958 H HIS A 60 16.060 23.707 24.316 1.00 0.00 H ATOM 959 N TYR A 61 15.571 21.616 21.025 1.00 5.10 N ATOM 960 CA TYR A 61 16.463 20.688 20.364 1.00 5.82 C ATOM 961 C TYR A 61 16.368 20.866 18.846 1.00 7.01 C ATOM 962 O TYR A 61 15.291 20.896 18.268 1.00 6.64 O ATOM 963 CB TYR A 61 16.102 19.232 20.718 1.00 4.98 C ATOM 964 CG TYR A 61 16.150 18.938 22.197 1.00 5.86 C ATOM 965 CD1 TYR A 61 14.982 19.010 22.986 1.00 5.67 C ATOM 966 CD2 TYR A 61 17.366 18.660 22.853 1.00 4.37 C ATOM 967 CE1 TYR A 61 15.029 18.823 24.355 1.00 6.31 C ATOM 968 CE2 TYR A 61 17.404 18.476 24.244 1.00 4.55 C ATOM 969 CZ TYR A 61 16.234 18.562 24.977 1.00 5.17 C ATOM 970 OH TYR A 61 16.238 18.411 26.340 1.00 6.05 O ATOM 971 HA TYR A 61 17.478 20.896 20.703 1.00 0.00 H ATOM 972 HB3 TYR A 61 16.805 18.570 20.212 1.00 0.00 H ATOM 973 HB2 TYR A 61 15.093 19.030 20.359 1.00 0.00 H ATOM 974 HD2 TYR A 61 18.287 18.587 22.274 1.00 0.00 H ATOM 975 HE2 TYR A 61 18.350 18.267 24.744 1.00 0.00 H ATOM 976 HE1 TYR A 61 14.114 18.882 24.944 1.00 0.00 H ATOM 977 HD1 TYR A 61 14.025 19.217 22.507 1.00 0.00 H ATOM 978 HH TYR A 61 16.588 17.514 26.570 1.00 0.00 H ATOM 979 H TYR A 61 14.552 21.541 20.830 1.00 0.00 H ATOM 980 N LYS A 62 17.516 20.979 18.193 1.00 7.52 N ATOM 981 CA LYS A 62 17.522 21.131 16.746 1.00 8.93 C ATOM 982 C LYS A 62 17.332 19.779 16.113 1.00 8.28 C ATOM 983 O LYS A 62 17.944 18.794 16.531 1.00 7.79 O ATOM 984 CB LYS A 62 18.859 21.689 16.275 1.00 11.29 C ATOM 985 CG LYS A 62 19.101 23.116 16.659 1.00 15.79 C ATOM 986 CD LYS A 62 20.547 23.508 16.357 1.00 21.15 C ATOM 987 CE LYS A 62 21.504 22.890 17.386 1.00 23.23 C ATOM 988 NZ LYS A 62 22.949 23.234 17.170 1.00 26.84 N ATOM 989 HA LYS A 62 16.721 21.813 16.462 1.00 0.00 H ATOM 990 HB2 LYS A 62 19.654 21.080 16.705 1.00 0.00 H ATOM 991 HB3 LYS A 62 18.895 21.617 15.188 1.00 0.00 H ATOM 992 HG2 LYS A 62 18.428 23.760 16.093 1.00 0.00 H ATOM 993 HG3 LYS A 62 18.910 23.239 17.725 1.00 0.00 H ATOM 994 HD2 LYS A 62 20.814 23.153 15.362 1.00 0.00 H ATOM 995 HD3 LYS A 62 20.638 24.594 16.390 1.00 0.00 H ATOM 996 HE2 LYS A 62 21.400 21.806 17.341 1.00 0.00 H ATOM 997 HE3 LYS A 62 21.214 23.241 18.376 1.00 0.00 H ATOM 998 HZ1 LYS A 62 23.248 22.895 16.233 1.00 0.00 H ATOM 999 HZ2 LYS A 62 23.070 24.266 17.222 1.00 0.00 H ATOM 1000 HZ3 LYS A 62 23.526 22.778 17.905 1.00 0.00 H ATOM 1001 H LYS A 62 18.415 20.959 18.716 1.00 0.00 H ATOM 1002 N ILE A 63 16.477 19.717 15.106 1.00 8.26 N ATOM 1003 CA ILE A 63 16.261 18.477 14.372 1.00 8.61 C ATOM 1004 C ILE A 63 16.743 18.739 12.954 1.00 10.66 C ATOM 1005 O ILE A 63 16.341 19.727 12.328 1.00 10.33 O ATOM 1006 CB ILE A 63 14.789 18.127 14.283 1.00 8.19 C ATOM 1007 CG1 ILE A 63 14.234 17.750 15.657 1.00 8.03 C ATOM 1008 CG2 ILE A 63 14.582 17.028 13.287 1.00 8.67 C ATOM 1009 CD1 ILE A 63 12.696 17.633 15.682 1.00 7.58 C ATOM 1010 HA ILE A 63 16.782 17.661 14.874 1.00 0.00 H ATOM 1011 HB ILE A 63 14.239 19.004 13.941 1.00 0.00 H ATOM 1012 HG12 ILE A 63 14.659 16.790 15.951 1.00 0.00 H ATOM 1013 HG13 ILE A 63 14.535 18.514 16.374 1.00 0.00 H ATOM 1014 HD11 ILE A 63 12.256 18.589 15.400 1.00 0.00 H ATOM 1015 HD12 ILE A 63 12.380 16.864 14.977 1.00 0.00 H ATOM 1016 HD13 ILE A 63 12.370 17.363 16.686 1.00 0.00 H ATOM 1017 HG21 ILE A 63 14.933 17.356 12.308 1.00 0.00 H ATOM 1018 HG22 ILE A 63 15.142 16.147 13.599 1.00 0.00 H ATOM 1019 HG23 ILE A 63 13.521 16.785 13.231 1.00 0.00 H ATOM 1020 H ILE A 63 15.948 20.570 14.833 1.00 0.00 H ATOM 1021 N ARG A 64 17.621 17.882 12.448 1.00 12.34 N ATOM 1022 CA ARG A 64 18.119 18.032 11.092 1.00 14.93 C ATOM 1023 C ARG A 64 17.445 17.090 10.173 1.00 15.00 C ATOM 1024 O ARG A 64 17.079 15.983 10.558 1.00 13.06 O ATOM 1025 CB ARG A 64 19.608 17.738 11.048 1.00 17.23 C ATOM 1026 CG ARG A 64 20.408 18.667 11.878 1.00 23.26 C ATOM 1027 CD ARG A 64 21.331 19.496 10.989 1.00 28.28 C ATOM 1028 NE ARG A 64 22.360 20.117 11.810 1.00 32.33 N ATOM 1029 CZ ARG A 64 23.295 19.425 12.441 1.00 34.07 C ATOM 1030 NH1 ARG A 64 23.338 18.107 12.330 1.00 35.81 N ATOM 1031 NH2 ARG A 64 24.068 20.026 13.328 1.00 36.88 N ATOM 1032 HA ARG A 64 17.919 19.057 10.781 1.00 0.00 H ATOM 1033 HB2 ARG A 64 19.772 16.722 11.407 1.00 0.00 H ATOM 1034 HB3 ARG A 64 19.947 17.816 10.015 1.00 0.00 H ATOM 1035 HG2 ARG A 64 19.739 19.332 12.424 1.00 0.00 H ATOM 1036 HG3 ARG A 64 21.007 18.095 12.587 1.00 0.00 H ATOM 1037 HD2 ARG A 64 20.752 20.269 10.484 1.00 0.00 H ATOM 1038 HD3 ARG A 64 21.798 18.850 10.246 1.00 0.00 H ATOM 1039 HE ARG A 64 22.360 21.153 11.905 1.00 0.00 H ATOM 1040 HH12 ARG A 64 24.074 17.567 12.828 1.00 0.00 H ATOM 1041 HH11 ARG A 64 22.635 17.611 11.745 1.00 0.00 H ATOM 1042 HH22 ARG A 64 24.804 19.486 13.827 1.00 0.00 H ATOM 1043 HH21 ARG A 64 23.940 21.039 13.528 1.00 0.00 H ATOM 1044 H ARG A 64 17.958 17.090 13.032 1.00 0.00 H ATOM 1045 N LYS A 65 17.319 17.507 8.922 1.00 17.10 N ATOM 1046 CA LYS A 65 16.735 16.680 7.883 1.00 19.98 C ATOM 1047 C LYS A 65 17.750 16.692 6.760 1.00 22.01 C ATOM 1048 O LYS A 65 18.172 17.757 6.314 1.00 21.57 O ATOM 1049 CB LYS A 65 15.388 17.243 7.433 1.00 20.77 C ATOM 1050 CG LYS A 65 14.960 16.786 6.050 1.00 23.61 C ATOM 1051 CD LYS A 65 14.823 15.290 5.927 1.00 25.87 C ATOM 1052 CE LYS A 65 14.676 14.869 4.451 1.00 28.83 C ATOM 1053 NZ LYS A 65 14.126 15.945 3.541 1.00 31.35 N ATOM 1054 HA LYS A 65 16.530 15.666 8.226 1.00 0.00 H ATOM 1055 HB2 LYS A 65 14.628 16.929 8.149 1.00 0.00 H ATOM 1056 HB3 LYS A 65 15.455 18.331 7.430 1.00 0.00 H ATOM 1057 HG2 LYS A 65 13.997 17.241 5.819 1.00 0.00 H ATOM 1058 HG3 LYS A 65 15.704 17.125 5.329 1.00 0.00 H ATOM 1059 HD2 LYS A 65 15.709 14.815 6.347 1.00 0.00 H ATOM 1060 HD3 LYS A 65 13.942 14.966 6.480 1.00 0.00 H ATOM 1061 HE2 LYS A 65 14.005 14.011 4.407 1.00 0.00 H ATOM 1062 HE3 LYS A 65 15.659 14.580 4.080 1.00 0.00 H ATOM 1063 HZ1 LYS A 65 13.181 16.226 3.871 1.00 0.00 H ATOM 1064 HZ2 LYS A 65 14.760 16.769 3.558 1.00 0.00 H ATOM 1065 HZ3 LYS A 65 14.061 15.577 2.571 1.00 0.00 H ATOM 1066 H LYS A 65 17.651 18.461 8.676 1.00 0.00 H ATOM 1067 N LEU A 66 18.230 15.514 6.382 1.00 24.08 N ATOM 1068 CA LEU A 66 19.209 15.410 5.310 1.00 26.78 C ATOM 1069 C LEU A 66 18.520 15.253 4.024 1.00 28.48 C ATOM 1070 O LEU A 66 17.414 14.733 3.969 1.00 27.34 O ATOM 1071 CB LEU A 66 20.110 14.205 5.530 1.00 27.19 C ATOM 1072 CG LEU A 66 20.829 14.055 6.868 1.00 28.43 C ATOM 1073 CD1 LEU A 66 21.695 12.788 6.854 1.00 27.94 C ATOM 1074 CD2 LEU A 66 21.681 15.287 7.148 1.00 29.15 C ATOM 1075 HA LEU A 66 19.812 16.318 5.305 1.00 0.00 H ATOM 1076 HB2 LEU A 66 19.494 13.316 5.397 1.00 0.00 H ATOM 1077 HB3 LEU A 66 20.877 14.233 4.756 1.00 0.00 H ATOM 1078 HG LEU A 66 20.090 13.963 7.664 1.00 0.00 H ATOM 1079 HD21 LEU A 66 22.421 15.403 6.356 1.00 0.00 H ATOM 1080 HD22 LEU A 66 21.042 16.169 7.183 1.00 0.00 H ATOM 1081 HD23 LEU A 66 22.188 15.167 8.105 1.00 0.00 H ATOM 1082 HD11 LEU A 66 21.061 11.918 6.686 1.00 0.00 H ATOM 1083 HD12 LEU A 66 22.432 12.862 6.054 1.00 0.00 H ATOM 1084 HD13 LEU A 66 22.205 12.687 7.812 1.00 0.00 H ATOM 1085 H LEU A 66 17.901 14.651 6.860 1.00 0.00 H ATOM 1086 N ASP A 67 19.150 15.711 2.944 1.00 31.39 N ATOM 1087 CA ASP A 67 18.558 15.552 1.608 1.00 33.64 C ATOM 1088 C ASP A 67 18.465 14.142 1.349 1.00 33.84 C ATOM 1089 O ASP A 67 17.550 13.685 0.671 1.00 34.63 O ATOM 1090 CB ASP A 67 19.421 16.236 0.566 1.00 35.99 C ATOM 1091 CG ASP A 67 19.568 17.705 0.851 1.00 38.46 C ATOM 1092 OD1 ASP A 67 20.523 18.073 1.572 1.00 40.33 O ATOM 1093 OD2 ASP A 67 18.680 18.483 0.427 1.00 40.96 O ATOM 1094 HA ASP A 67 17.571 16.011 1.563 1.00 0.00 H ATOM 1095 HB2 ASP A 67 20.408 15.774 0.565 1.00 0.00 H ATOM 1096 HB3 ASP A 67 18.961 16.109 -0.414 1.00 0.00 H ATOM 1097 H ASP A 67 20.070 16.186 3.047 1.00 0.00 H ATOM 1098 N SER A 68 19.375 13.408 1.984 1.00 34.04 N ATOM 1099 CA SER A 68 19.474 11.950 1.927 1.00 33.68 C ATOM 1100 C SER A 68 18.242 11.195 2.662 1.00 32.43 C ATOM 1101 O SER A 68 18.207 9.956 2.707 1.00 32.73 O ATOM 1102 CB SER A 68 20.797 11.534 2.567 1.00 34.53 C ATOM 1103 OG SER A 68 21.730 12.599 2.424 1.00 36.21 O ATOM 1104 HA SER A 68 19.430 11.652 0.879 1.00 0.00 H ATOM 1105 HB2 SER A 68 21.180 10.642 2.071 1.00 0.00 H ATOM 1106 HB3 SER A 68 20.642 11.322 3.625 1.00 0.00 H ATOM 1107 HG SER A 68 21.378 13.407 2.875 1.00 0.00 H ATOM 1108 H SER A 68 20.072 13.912 2.568 1.00 0.00 H ATOM 1109 N GLY A 69 17.333 11.974 3.263 1.00 30.35 N ATOM 1110 CA GLY A 69 16.138 11.416 3.890 1.00 27.29 C ATOM 1111 C GLY A 69 15.971 11.345 5.402 1.00 24.12 C ATOM 1112 O GLY A 69 14.856 11.487 5.917 1.00 25.48 O ATOM 1113 HA3 GLY A 69 16.054 10.392 3.526 1.00 0.00 H ATOM 1114 HA2 GLY A 69 15.298 12.002 3.518 1.00 0.00 H ATOM 1115 H GLY A 69 17.482 13.003 3.284 1.00 0.00 H ATOM 1116 N GLY A 70 17.060 11.135 6.118 1.00 21.77 N ATOM 1117 CA GLY A 70 16.939 11.013 7.555 1.00 17.47 C ATOM 1118 C GLY A 70 16.689 12.278 8.350 1.00 14.99 C ATOM 1119 O GLY A 70 17.049 13.379 7.945 1.00 15.80 O ATOM 1120 HA3 GLY A 70 17.866 10.574 7.924 1.00 0.00 H ATOM 1121 HA2 GLY A 70 16.111 10.333 7.756 1.00 0.00 H ATOM 1122 H GLY A 70 17.989 11.059 5.657 1.00 0.00 H ATOM 1123 N PHE A 71 16.027 12.098 9.477 1.00 11.24 N ATOM 1124 CA PHE A 71 15.729 13.151 10.432 1.00 9.82 C ATOM 1125 C PHE A 71 16.444 12.740 11.715 1.00 8.08 C ATOM 1126 O PHE A 71 16.447 11.554 12.061 1.00 6.93 O ATOM 1127 CB PHE A 71 14.231 13.208 10.757 1.00 9.79 C ATOM 1128 CG PHE A 71 13.400 13.772 9.661 1.00 10.40 C ATOM 1129 CD1 PHE A 71 12.981 12.959 8.610 1.00 10.62 C ATOM 1130 CD2 PHE A 71 13.010 15.108 9.687 1.00 10.63 C ATOM 1131 CE1 PHE A 71 12.195 13.473 7.615 1.00 12.07 C ATOM 1132 CE2 PHE A 71 12.222 15.622 8.685 1.00 11.16 C ATOM 1133 CZ PHE A 71 11.815 14.799 7.654 1.00 11.29 C ATOM 1134 HA PHE A 71 16.035 14.118 10.032 1.00 0.00 H ATOM 1135 HB2 PHE A 71 13.885 12.195 10.964 1.00 0.00 H ATOM 1136 HB3 PHE A 71 14.095 13.826 11.645 1.00 0.00 H ATOM 1137 HD2 PHE A 71 13.331 15.750 10.507 1.00 0.00 H ATOM 1138 HE2 PHE A 71 11.921 16.670 8.704 1.00 0.00 H ATOM 1139 HZ PHE A 71 11.185 15.202 6.861 1.00 0.00 H ATOM 1140 HE1 PHE A 71 11.869 12.836 6.793 1.00 0.00 H ATOM 1141 HD1 PHE A 71 13.280 11.911 8.580 1.00 0.00 H ATOM 1142 H PHE A 71 15.696 11.137 9.696 1.00 0.00 H ATOM 1143 N TYR A 72 17.031 13.703 12.425 1.00 7.56 N ATOM 1144 CA TYR A 72 17.695 13.370 13.683 1.00 7.34 C ATOM 1145 C TYR A 72 18.037 14.576 14.518 1.00 6.01 C ATOM 1146 O TYR A 72 18.061 15.691 14.015 1.00 5.45 O ATOM 1147 CB TYR A 72 18.994 12.586 13.418 1.00 9.20 C ATOM 1148 CG TYR A 72 20.017 13.345 12.617 1.00 10.53 C ATOM 1149 CD1 TYR A 72 20.858 14.291 13.216 1.00 11.09 C ATOM 1150 CD2 TYR A 72 20.169 13.091 11.256 1.00 12.48 C ATOM 1151 CE1 TYR A 72 21.830 14.958 12.475 1.00 12.57 C ATOM 1152 CE2 TYR A 72 21.140 13.743 10.503 1.00 15.29 C ATOM 1153 CZ TYR A 72 21.959 14.681 11.122 1.00 14.88 C ATOM 1154 OH TYR A 72 22.899 15.341 10.363 1.00 18.84 O ATOM 1155 HA TYR A 72 16.979 12.766 14.240 1.00 0.00 H ATOM 1156 HB3 TYR A 72 18.740 11.676 12.875 1.00 0.00 H ATOM 1157 HB2 TYR A 72 19.437 12.323 14.378 1.00 0.00 H ATOM 1158 HD2 TYR A 72 19.514 12.367 10.771 1.00 0.00 H ATOM 1159 HE2 TYR A 72 21.257 13.522 9.442 1.00 0.00 H ATOM 1160 HE1 TYR A 72 22.482 15.689 12.953 1.00 0.00 H ATOM 1161 HD1 TYR A 72 20.750 14.509 14.279 1.00 0.00 H ATOM 1162 HH TYR A 72 23.402 15.972 10.937 1.00 0.00 H ATOM 1163 H TYR A 72 17.016 14.686 12.085 1.00 0.00 H ATOM 1164 N ILE A 73 18.244 14.333 15.808 1.00 5.46 N ATOM 1165 CA ILE A 73 18.710 15.332 16.744 1.00 5.74 C ATOM 1166 C ILE A 73 20.248 14.976 16.798 1.00 6.56 C ATOM 1167 O ILE A 73 21.090 15.846 16.679 1.00 7.41 O ATOM 1168 CB ILE A 73 18.072 15.206 18.126 1.00 6.01 C ATOM 1169 CG1 ILE A 73 16.578 15.519 18.002 1.00 6.47 C ATOM 1170 CG2 ILE A 73 18.729 16.196 19.113 1.00 6.40 C ATOM 1171 CD1 ILE A 73 15.795 15.248 19.262 1.00 6.78 C ATOM 1172 HA ILE A 73 18.471 16.353 16.446 1.00 0.00 H ATOM 1173 HB ILE A 73 18.217 14.194 18.504 1.00 0.00 H ATOM 1174 HG12 ILE A 73 16.467 16.573 17.748 1.00 0.00 H ATOM 1175 HG13 ILE A 73 16.163 14.907 17.201 1.00 0.00 H ATOM 1176 HD11 ILE A 73 15.886 14.194 19.525 1.00 0.00 H ATOM 1177 HD12 ILE A 73 16.189 15.861 20.072 1.00 0.00 H ATOM 1178 HD13 ILE A 73 14.746 15.494 19.096 1.00 0.00 H ATOM 1179 HG21 ILE A 73 19.794 15.977 19.191 1.00 0.00 H ATOM 1180 HG22 ILE A 73 18.592 17.214 18.749 1.00 0.00 H ATOM 1181 HG23 ILE A 73 18.263 16.093 20.093 1.00 0.00 H ATOM 1182 H ILE A 73 18.061 13.373 16.163 1.00 0.00 H ATOM 1183 N THR A 74 20.567 13.700 16.973 1.00 7.17 N ATOM 1184 CA THR A 74 21.965 13.276 16.959 1.00 8.04 C ATOM 1185 C THR A 74 22.149 12.385 15.699 1.00 7.82 C ATOM 1186 O THR A 74 21.352 11.491 15.441 1.00 7.05 O ATOM 1187 CB THR A 74 22.413 12.535 18.270 1.00 8.76 C ATOM 1188 OG1 THR A 74 23.763 12.064 18.102 1.00 9.59 O ATOM 1189 CG2 THR A 74 21.499 11.365 18.643 1.00 8.64 C ATOM 1190 HA THR A 74 22.609 14.154 16.920 1.00 0.00 H ATOM 1191 HB THR A 74 22.349 13.252 19.088 1.00 0.00 H ATOM 1192 HG1 THR A 74 24.053 11.596 18.925 1.00 0.00 H ATOM 1193 HG23 THR A 74 20.479 11.728 18.769 1.00 0.00 H ATOM 1194 HG21 THR A 74 21.525 10.618 17.850 1.00 0.00 H ATOM 1195 HG22 THR A 74 21.845 10.919 19.575 1.00 0.00 H ATOM 1196 H THR A 74 19.816 12.996 17.121 1.00 0.00 H ATOM 1197 N SER A 75 23.210 12.633 14.939 1.00 7.31 N ATOM 1198 CA SER A 75 23.482 11.878 13.718 1.00 8.42 C ATOM 1199 C SER A 75 23.619 10.387 13.942 1.00 7.40 C ATOM 1200 O SER A 75 23.470 9.600 13.003 1.00 8.84 O ATOM 1201 CB SER A 75 24.742 12.425 13.025 1.00 9.48 C ATOM 1202 OG SER A 75 25.902 12.160 13.800 1.00 10.61 O ATOM 1203 HA SER A 75 22.611 12.014 13.076 1.00 0.00 H ATOM 1204 HB2 SER A 75 24.638 13.502 12.894 1.00 0.00 H ATOM 1205 HB3 SER A 75 24.848 11.950 12.050 1.00 0.00 H ATOM 1206 HG SER A 75 26.002 11.182 13.918 1.00 0.00 H ATOM 1207 H SER A 75 23.867 13.388 15.222 1.00 0.00 H ATOM 1208 N ARG A 76 23.893 9.986 15.183 1.00 8.54 N ATOM 1209 CA ARG A 76 24.029 8.562 15.503 1.00 9.56 C ATOM 1210 C ARG A 76 22.667 7.801 15.519 1.00 8.95 C ATOM 1211 O ARG A 76 22.634 6.567 15.353 1.00 9.82 O ATOM 1212 CB ARG A 76 24.678 8.408 16.879 1.00 11.90 C ATOM 1213 CG ARG A 76 26.138 8.866 16.926 1.00 16.63 C ATOM 1214 CD ARG A 76 27.028 7.895 16.169 1.00 20.85 C ATOM 1215 NE ARG A 76 26.906 6.524 16.689 1.00 25.30 N ATOM 1216 CZ ARG A 76 27.508 6.082 17.797 1.00 27.41 C ATOM 1217 NH1 ARG A 76 28.293 6.895 18.501 1.00 28.90 N ATOM 1218 NH2 ARG A 76 27.270 4.851 18.249 1.00 29.14 N ATOM 1219 HA ARG A 76 24.645 8.126 14.716 1.00 0.00 H ATOM 1220 HB2 ARG A 76 24.108 8.999 17.596 1.00 0.00 H ATOM 1221 HB3 ARG A 76 24.638 7.356 17.163 1.00 0.00 H ATOM 1222 HG2 ARG A 76 26.219 9.854 16.473 1.00 0.00 H ATOM 1223 HG3 ARG A 76 26.465 8.916 17.965 1.00 0.00 H ATOM 1224 HD2 ARG A 76 28.065 8.218 16.264 1.00 0.00 H ATOM 1225 HD3 ARG A 76 26.742 7.901 15.117 1.00 0.00 H ATOM 1226 HE ARG A 76 26.312 5.855 16.159 1.00 0.00 H ATOM 1227 HH12 ARG A 76 28.761 6.549 19.363 1.00 0.00 H ATOM 1228 HH11 ARG A 76 28.439 7.876 18.189 1.00 0.00 H ATOM 1229 HH22 ARG A 76 27.742 4.514 19.112 1.00 0.00 H ATOM 1230 HH21 ARG A 76 26.612 4.228 17.739 1.00 0.00 H ATOM 1231 H ARG A 76 24.012 10.694 15.936 1.00 0.00 H ATOM 1232 N THR A 77 21.583 8.569 15.657 1.00 7.23 N ATOM 1233 CA THR A 77 20.220 8.028 15.820 1.00 7.34 C ATOM 1234 C THR A 77 19.246 8.736 14.888 1.00 6.78 C ATOM 1235 O THR A 77 18.657 9.746 15.244 1.00 7.37 O ATOM 1236 CB THR A 77 19.818 8.236 17.311 1.00 7.80 C ATOM 1237 OG1 THR A 77 20.870 7.717 18.143 1.00 8.67 O ATOM 1238 CG2 THR A 77 18.473 7.590 17.671 1.00 7.96 C ATOM 1239 HA THR A 77 20.191 6.969 15.563 1.00 0.00 H ATOM 1240 HB THR A 77 19.686 9.305 17.479 1.00 0.00 H ATOM 1241 HG1 THR A 77 20.629 7.842 19.095 1.00 0.00 H ATOM 1242 HG23 THR A 77 17.692 7.998 17.029 1.00 0.00 H ATOM 1243 HG21 THR A 77 18.539 6.512 17.525 1.00 0.00 H ATOM 1244 HG22 THR A 77 18.236 7.803 18.713 1.00 0.00 H ATOM 1245 H THR A 77 21.706 9.602 15.649 1.00 0.00 H ATOM 1246 N GLN A 78 19.049 8.145 13.715 1.00 6.47 N ATOM 1247 CA GLN A 78 18.209 8.718 12.674 1.00 5.91 C ATOM 1248 C GLN A 78 16.950 7.987 12.416 1.00 5.63 C ATOM 1249 O GLN A 78 16.821 6.778 12.747 1.00 5.44 O ATOM 1250 CB GLN A 78 19.004 8.792 11.383 1.00 5.70 C ATOM 1251 CG GLN A 78 20.356 9.441 11.614 1.00 8.25 C ATOM 1252 CD GLN A 78 21.090 9.755 10.323 1.00 11.30 C ATOM 1253 OE1 GLN A 78 22.304 10.000 10.339 1.00 12.94 O ATOM 1254 NE2 GLN A 78 20.369 9.781 9.208 1.00 10.41 N ATOM 1255 HA GLN A 78 17.916 9.703 13.037 1.00 0.00 H ATOM 1256 HB2 GLN A 78 19.153 7.783 10.998 1.00 0.00 H ATOM 1257 HB3 GLN A 78 18.446 9.379 10.654 1.00 0.00 H ATOM 1258 HG2 GLN A 78 20.206 10.370 12.164 1.00 0.00 H ATOM 1259 HG3 GLN A 78 20.970 8.764 12.207 1.00 0.00 H ATOM 1260 HE22 GLN A 78 19.352 9.568 9.242 1.00 0.00 H ATOM 1261 HE21 GLN A 78 20.822 10.014 8.301 1.00 0.00 H ATOM 1262 H GLN A 78 19.515 7.233 13.533 1.00 0.00 H ATOM 1263 N PHE A 79 16.030 8.704 11.762 1.00 5.95 N ATOM 1264 CA PHE A 79 14.700 8.200 11.432 1.00 6.42 C ATOM 1265 C PHE A 79 14.280 8.497 10.018 1.00 7.31 C ATOM 1266 O PHE A 79 14.763 9.452 9.404 1.00 8.19 O ATOM 1267 CB PHE A 79 13.677 8.748 12.435 1.00 6.54 C ATOM 1268 CG PHE A 79 14.041 8.438 13.850 1.00 5.88 C ATOM 1269 CD1 PHE A 79 14.832 9.331 14.594 1.00 5.83 C ATOM 1270 CD2 PHE A 79 13.729 7.196 14.404 1.00 5.29 C ATOM 1271 CE1 PHE A 79 15.311 8.982 15.855 1.00 6.09 C ATOM 1272 CE2 PHE A 79 14.203 6.832 15.669 1.00 5.84 C ATOM 1273 CZ PHE A 79 15.002 7.726 16.406 1.00 5.31 C ATOM 1274 HA PHE A 79 14.742 7.113 11.504 1.00 0.00 H ATOM 1275 HB2 PHE A 79 13.617 9.830 12.318 1.00 0.00 H ATOM 1276 HB3 PHE A 79 12.704 8.306 12.219 1.00 0.00 H ATOM 1277 HD2 PHE A 79 13.107 6.499 13.843 1.00 0.00 H ATOM 1278 HE2 PHE A 79 13.953 5.855 16.084 1.00 0.00 H ATOM 1279 HZ PHE A 79 15.376 7.448 17.391 1.00 0.00 H ATOM 1280 HE1 PHE A 79 15.927 9.685 16.416 1.00 0.00 H ATOM 1281 HD1 PHE A 79 15.074 10.309 14.179 1.00 0.00 H ATOM 1282 H PHE A 79 16.275 9.673 11.473 1.00 0.00 H ATOM 1283 N ASN A 80 13.356 7.691 9.507 1.00 8.46 N ATOM 1284 CA ASN A 80 12.876 7.845 8.141 1.00 9.83 C ATOM 1285 C ASN A 80 11.850 8.978 7.968 1.00 10.76 C ATOM 1286 O ASN A 80 11.571 9.416 6.837 1.00 10.80 O ATOM 1287 CB ASN A 80 12.313 6.527 7.621 1.00 10.87 C ATOM 1288 CG ASN A 80 13.389 5.484 7.406 1.00 12.02 C ATOM 1289 OD1 ASN A 80 14.576 5.805 7.245 1.00 11.93 O ATOM 1290 ND2 ASN A 80 12.983 4.222 7.394 1.00 12.37 N ATOM 1291 HA ASN A 80 13.743 8.132 7.546 1.00 0.00 H ATOM 1292 HB2 ASN A 80 11.593 6.144 8.344 1.00 0.00 H ATOM 1293 HB3 ASN A 80 11.809 6.711 6.672 1.00 0.00 H ATOM 1294 HD22 ASN A 80 11.977 3.998 7.533 1.00 0.00 H ATOM 1295 HD21 ASN A 80 13.671 3.456 7.245 1.00 0.00 H ATOM 1296 H ASN A 80 12.965 6.930 10.098 1.00 0.00 H ATOM 1297 N SER A 81 11.339 9.472 9.095 1.00 9.68 N ATOM 1298 CA SER A 81 10.371 10.559 9.090 1.00 9.44 C ATOM 1299 C SER A 81 10.395 11.296 10.436 1.00 9.94 C ATOM 1300 O SER A 81 10.861 10.765 11.457 1.00 9.79 O ATOM 1301 CB SER A 81 8.969 10.009 8.864 1.00 8.50 C ATOM 1302 OG SER A 81 8.582 9.179 9.954 1.00 7.99 O ATOM 1303 HA SER A 81 10.634 11.248 8.287 1.00 0.00 H ATOM 1304 HB2 SER A 81 8.956 9.424 7.944 1.00 0.00 H ATOM 1305 HB3 SER A 81 8.267 10.838 8.776 1.00 0.00 H ATOM 1306 HG SER A 81 7.670 8.829 9.793 1.00 0.00 H ATOM 1307 H SER A 81 11.641 9.069 10.005 1.00 0.00 H ATOM 1308 N LEU A 82 9.813 12.488 10.448 1.00 9.15 N ATOM 1309 CA LEU A 82 9.743 13.270 11.671 1.00 9.61 C ATOM 1310 C LEU A 82 8.779 12.548 12.655 1.00 8.95 C ATOM 1311 O LEU A 82 8.961 12.559 13.880 1.00 8.98 O ATOM 1312 CB LEU A 82 9.250 14.672 11.342 1.00 10.44 C ATOM 1313 CG LEU A 82 9.345 15.762 12.398 1.00 11.96 C ATOM 1314 CD1 LEU A 82 10.776 15.890 12.976 1.00 12.58 C ATOM 1315 CD2 LEU A 82 8.859 17.071 11.756 1.00 12.49 C ATOM 1316 HA LEU A 82 10.724 13.359 12.137 1.00 0.00 H ATOM 1317 HB2 LEU A 82 9.820 15.015 10.479 1.00 0.00 H ATOM 1318 HB3 LEU A 82 8.198 14.584 11.070 1.00 0.00 H ATOM 1319 HG LEU A 82 8.715 15.511 13.251 1.00 0.00 H ATOM 1320 HD21 LEU A 82 9.491 17.312 10.901 1.00 0.00 H ATOM 1321 HD22 LEU A 82 7.828 16.950 11.424 1.00 0.00 H ATOM 1322 HD23 LEU A 82 8.914 17.876 12.489 1.00 0.00 H ATOM 1323 HD11 LEU A 82 11.067 14.945 13.435 1.00 0.00 H ATOM 1324 HD12 LEU A 82 11.471 16.134 12.172 1.00 0.00 H ATOM 1325 HD13 LEU A 82 10.794 16.681 13.726 1.00 0.00 H ATOM 1326 H LEU A 82 9.402 12.868 9.571 1.00 0.00 H ATOM 1327 N GLN A 83 7.751 11.937 12.090 1.00 8.29 N ATOM 1328 CA GLN A 83 6.772 11.193 12.863 1.00 8.57 C ATOM 1329 C GLN A 83 7.461 10.059 13.643 1.00 7.58 C ATOM 1330 O GLN A 83 7.181 9.852 14.821 1.00 7.42 O ATOM 1331 CB GLN A 83 5.709 10.585 11.923 1.00 9.61 C ATOM 1332 CG GLN A 83 4.730 11.610 11.267 1.00 12.84 C ATOM 1333 CD GLN A 83 5.216 12.291 9.956 1.00 15.08 C ATOM 1334 OE1 GLN A 83 4.404 12.873 9.210 1.00 18.24 O ATOM 1335 NE2 GLN A 83 6.497 12.184 9.654 1.00 12.29 N ATOM 1336 HA GLN A 83 6.293 11.877 13.564 1.00 0.00 H ATOM 1337 HB2 GLN A 83 6.229 10.057 11.124 1.00 0.00 H ATOM 1338 HB3 GLN A 83 5.116 9.875 12.500 1.00 0.00 H ATOM 1339 HG2 GLN A 83 3.801 11.085 11.043 1.00 0.00 H ATOM 1340 HG3 GLN A 83 4.535 12.396 11.997 1.00 0.00 H ATOM 1341 HE22 GLN A 83 7.145 11.691 10.302 1.00 0.00 H ATOM 1342 HE21 GLN A 83 6.858 12.593 8.769 1.00 0.00 H ATOM 1343 H GLN A 83 7.640 11.991 11.057 1.00 0.00 H ATOM 1344 N GLN A 84 8.364 9.334 12.977 1.00 6.97 N ATOM 1345 CA GLN A 84 9.059 8.206 13.622 1.00 7.01 C ATOM 1346 C GLN A 84 10.014 8.701 14.680 1.00 6.27 C ATOM 1347 O GLN A 84 10.231 8.034 15.687 1.00 6.47 O ATOM 1348 CB GLN A 84 9.764 7.343 12.569 1.00 7.84 C ATOM 1349 CG GLN A 84 8.768 6.513 11.733 1.00 7.73 C ATOM 1350 CD GLN A 84 9.359 5.981 10.426 1.00 7.90 C ATOM 1351 OE1 GLN A 84 9.801 6.757 9.573 1.00 9.99 O ATOM 1352 NE2 GLN A 84 9.334 4.668 10.250 1.00 7.57 N ATOM 1353 HA GLN A 84 8.323 7.577 14.123 1.00 0.00 H ATOM 1354 HB2 GLN A 84 10.326 7.995 11.900 1.00 0.00 H ATOM 1355 HB3 GLN A 84 10.450 6.663 13.074 1.00 0.00 H ATOM 1356 HG2 GLN A 84 8.438 5.665 12.333 1.00 0.00 H ATOM 1357 HG3 GLN A 84 7.911 7.142 11.493 1.00 0.00 H ATOM 1358 HE22 GLN A 84 8.953 4.051 10.995 1.00 0.00 H ATOM 1359 HE21 GLN A 84 9.696 4.255 9.367 1.00 0.00 H ATOM 1360 H GLN A 84 8.580 9.569 11.987 1.00 0.00 H ATOM 1361 N LEU A 85 10.595 9.867 14.445 1.00 5.35 N ATOM 1362 CA LEU A 85 11.500 10.483 15.418 1.00 5.16 C ATOM 1363 C LEU A 85 10.690 10.831 16.673 1.00 4.64 C ATOM 1364 O LEU A 85 11.083 10.505 17.790 1.00 4.82 O ATOM 1365 CB LEU A 85 12.143 11.741 14.825 1.00 4.68 C ATOM 1366 CG LEU A 85 13.142 12.534 15.698 1.00 5.28 C ATOM 1367 CD1 LEU A 85 14.132 13.326 14.863 1.00 4.94 C ATOM 1368 CD2 LEU A 85 12.395 13.484 16.643 1.00 6.41 C ATOM 1369 HA LEU A 85 12.302 9.791 15.675 1.00 0.00 H ATOM 1370 HB2 LEU A 85 12.673 11.438 13.922 1.00 0.00 H ATOM 1371 HB3 LEU A 85 11.335 12.422 14.559 1.00 0.00 H ATOM 1372 HG LEU A 85 13.703 11.802 16.279 1.00 0.00 H ATOM 1373 HD21 LEU A 85 11.802 14.186 16.057 1.00 0.00 H ATOM 1374 HD22 LEU A 85 11.738 12.906 17.293 1.00 0.00 H ATOM 1375 HD23 LEU A 85 13.116 14.033 17.249 1.00 0.00 H ATOM 1376 HD11 LEU A 85 14.701 12.643 14.232 1.00 0.00 H ATOM 1377 HD12 LEU A 85 13.591 14.036 14.237 1.00 0.00 H ATOM 1378 HD13 LEU A 85 14.812 13.865 15.522 1.00 0.00 H ATOM 1379 H LEU A 85 10.404 10.357 13.548 1.00 0.00 H ATOM 1380 N VAL A 86 9.533 11.461 16.483 1.00 5.73 N ATOM 1381 CA VAL A 86 8.687 11.807 17.631 1.00 5.51 C ATOM 1382 C VAL A 86 8.242 10.521 18.401 1.00 4.98 C ATOM 1383 O VAL A 86 8.268 10.489 19.635 1.00 5.57 O ATOM 1384 CB VAL A 86 7.436 12.654 17.194 1.00 5.43 C ATOM 1385 CG1 VAL A 86 6.422 12.769 18.339 1.00 5.87 C ATOM 1386 CG2 VAL A 86 7.883 14.058 16.751 1.00 6.00 C ATOM 1387 HA VAL A 86 9.284 12.423 18.304 1.00 0.00 H ATOM 1388 HB VAL A 86 6.954 12.145 16.359 1.00 0.00 H ATOM 1389 HG11 VAL A 86 6.087 11.773 18.627 1.00 0.00 H ATOM 1390 HG12 VAL A 86 6.893 13.256 19.193 1.00 0.00 H ATOM 1391 HG13 VAL A 86 5.568 13.360 18.008 1.00 0.00 H ATOM 1392 HG21 VAL A 86 8.384 14.557 17.581 1.00 0.00 H ATOM 1393 HG22 VAL A 86 8.570 13.970 15.910 1.00 0.00 H ATOM 1394 HG23 VAL A 86 7.010 14.638 16.450 1.00 0.00 H ATOM 1395 H VAL A 86 9.228 11.708 15.520 1.00 0.00 H ATOM 1396 N ALA A 87 7.839 9.486 17.661 1.00 5.21 N ATOM 1397 CA ALA A 87 7.408 8.254 18.299 1.00 5.25 C ATOM 1398 C ALA A 87 8.567 7.656 19.118 1.00 6.08 C ATOM 1399 O ALA A 87 8.382 7.224 20.262 1.00 6.29 O ATOM 1400 CB ALA A 87 6.930 7.261 17.264 1.00 6.29 C ATOM 1401 HA ALA A 87 6.578 8.477 18.969 1.00 0.00 H ATOM 1402 HB1 ALA A 87 6.092 7.687 16.713 1.00 0.00 H ATOM 1403 HB2 ALA A 87 7.744 7.037 16.574 1.00 0.00 H ATOM 1404 HB3 ALA A 87 6.611 6.345 17.761 1.00 0.00 H ATOM 1405 H ALA A 87 7.833 9.562 16.624 1.00 0.00 H ATOM 1406 N TYR A 88 9.772 7.659 18.539 1.00 5.39 N ATOM 1407 CA TYR A 88 10.926 7.113 19.259 1.00 6.05 C ATOM 1408 C TYR A 88 11.193 7.911 20.585 1.00 5.42 C ATOM 1409 O TYR A 88 11.345 7.320 21.664 1.00 6.14 O ATOM 1410 CB TYR A 88 12.177 7.145 18.362 1.00 5.59 C ATOM 1411 CG TYR A 88 13.424 6.682 19.088 1.00 6.16 C ATOM 1412 CD1 TYR A 88 13.840 5.339 19.048 1.00 7.21 C ATOM 1413 CD2 TYR A 88 14.200 7.588 19.804 1.00 6.54 C ATOM 1414 CE1 TYR A 88 15.023 4.926 19.719 1.00 7.26 C ATOM 1415 CE2 TYR A 88 15.360 7.182 20.470 1.00 7.36 C ATOM 1416 CZ TYR A 88 15.769 5.860 20.420 1.00 8.19 C ATOM 1417 OH TYR A 88 16.926 5.479 21.093 1.00 10.09 O ATOM 1418 HA TYR A 88 10.702 6.079 19.522 1.00 0.00 H ATOM 1419 HB3 TYR A 88 12.333 8.167 18.016 1.00 0.00 H ATOM 1420 HB2 TYR A 88 12.009 6.493 17.504 1.00 0.00 H ATOM 1421 HD2 TYR A 88 13.898 8.634 19.846 1.00 0.00 H ATOM 1422 HE2 TYR A 88 15.946 7.910 21.032 1.00 0.00 H ATOM 1423 HE1 TYR A 88 15.341 3.884 19.682 1.00 0.00 H ATOM 1424 HD1 TYR A 88 13.249 4.607 18.497 1.00 0.00 H ATOM 1425 HH TYR A 88 16.822 5.668 22.059 1.00 0.00 H ATOM 1426 H TYR A 88 9.890 8.047 17.581 1.00 0.00 H ATOM 1427 N TYR A 89 11.253 9.237 20.484 1.00 5.88 N ATOM 1428 CA TYR A 89 11.510 10.062 21.672 1.00 5.86 C ATOM 1429 C TYR A 89 10.354 10.143 22.694 1.00 6.20 C ATOM 1430 O TYR A 89 10.510 10.690 23.776 1.00 6.37 O ATOM 1431 CB TYR A 89 12.071 11.424 21.280 1.00 5.61 C ATOM 1432 CG TYR A 89 13.496 11.283 20.752 1.00 5.26 C ATOM 1433 CD1 TYR A 89 13.803 11.513 19.407 1.00 4.92 C ATOM 1434 CD2 TYR A 89 14.532 10.924 21.618 1.00 6.09 C ATOM 1435 CE1 TYR A 89 15.105 11.397 18.936 1.00 5.90 C ATOM 1436 CE2 TYR A 89 15.846 10.800 21.161 1.00 5.68 C ATOM 1437 CZ TYR A 89 16.120 11.038 19.829 1.00 7.16 C ATOM 1438 OH TYR A 89 17.415 10.901 19.371 1.00 8.04 O ATOM 1439 HA TYR A 89 12.279 9.530 22.232 1.00 0.00 H ATOM 1440 HB3 TYR A 89 12.075 12.076 22.154 1.00 0.00 H ATOM 1441 HB2 TYR A 89 11.442 11.862 20.504 1.00 0.00 H ATOM 1442 HD2 TYR A 89 14.311 10.737 22.669 1.00 0.00 H ATOM 1443 HE2 TYR A 89 16.645 10.519 21.847 1.00 0.00 H ATOM 1444 HE1 TYR A 89 15.332 11.583 17.886 1.00 0.00 H ATOM 1445 HD1 TYR A 89 13.006 11.788 18.716 1.00 0.00 H ATOM 1446 HH TYR A 89 17.445 11.105 18.403 1.00 0.00 H ATOM 1447 H TYR A 89 11.117 9.692 19.559 1.00 0.00 H ATOM 1448 N SER A 90 9.201 9.579 22.337 1.00 6.80 N ATOM 1449 CA SER A 90 8.076 9.496 23.263 1.00 7.83 C ATOM 1450 C SER A 90 8.281 8.232 24.113 1.00 9.08 C ATOM 1451 O SER A 90 7.585 8.051 25.119 1.00 10.93 O ATOM 1452 CB SER A 90 6.762 9.380 22.489 1.00 7.24 C ATOM 1453 OG SER A 90 6.564 10.555 21.732 1.00 7.83 O ATOM 1454 HA SER A 90 8.028 10.389 23.886 1.00 0.00 H ATOM 1455 HB2 SER A 90 5.936 9.253 23.189 1.00 0.00 H ATOM 1456 HB3 SER A 90 6.806 8.519 21.822 1.00 0.00 H ATOM 1457 HG SER A 90 7.315 10.668 21.097 1.00 0.00 H ATOM 1458 H SER A 90 9.100 9.190 21.378 1.00 0.00 H ATOM 1459 N LYS A 91 9.235 7.375 23.729 1.00 7.70 N ATOM 1460 CA LYS A 91 9.510 6.162 24.486 1.00 9.41 C ATOM 1461 C LYS A 91 10.900 6.117 25.121 1.00 8.86 C ATOM 1462 O LYS A 91 11.135 5.331 26.011 1.00 10.32 O ATOM 1463 CB LYS A 91 9.330 4.911 23.612 1.00 10.72 C ATOM 1464 CG LYS A 91 7.940 4.787 23.008 1.00 14.87 C ATOM 1465 CD LYS A 91 7.216 3.544 23.469 1.00 17.87 C ATOM 1466 CE LYS A 91 5.818 3.446 22.843 1.00 17.79 C ATOM 1467 NZ LYS A 91 5.795 2.975 21.428 1.00 19.41 N ATOM 1468 HA LYS A 91 8.783 6.175 25.298 1.00 0.00 H ATOM 1469 HB2 LYS A 91 10.057 4.949 22.801 1.00 0.00 H ATOM 1470 HB3 LYS A 91 9.519 4.031 24.226 1.00 0.00 H ATOM 1471 HG2 LYS A 91 7.354 5.660 23.296 1.00 0.00 H ATOM 1472 HG3 LYS A 91 8.032 4.755 21.922 1.00 0.00 H ATOM 1473 HD2 LYS A 91 7.796 2.668 23.181 1.00 0.00 H ATOM 1474 HD3 LYS A 91 7.118 3.572 24.554 1.00 0.00 H ATOM 1475 HE2 LYS A 91 5.361 4.435 22.878 1.00 0.00 H ATOM 1476 HE3 LYS A 91 5.227 2.752 23.441 1.00 0.00 H ATOM 1477 HZ1 LYS A 91 6.343 3.632 20.836 1.00 0.00 H ATOM 1478 HZ2 LYS A 91 6.215 2.025 21.373 1.00 0.00 H ATOM 1479 HZ3 LYS A 91 4.812 2.941 21.091 1.00 0.00 H ATOM 1480 H LYS A 91 9.790 7.579 22.874 1.00 0.00 H ATOM 1481 N HIS A 92 11.845 6.880 24.591 1.00 9.20 N ATOM 1482 CA HIS A 92 13.212 6.920 25.130 1.00 8.70 C ATOM 1483 C HIS A 92 13.549 8.310 25.446 1.00 7.76 C ATOM 1484 O HIS A 92 13.406 9.204 24.596 1.00 8.41 O ATOM 1485 CB HIS A 92 14.239 6.484 24.075 1.00 9.61 C ATOM 1486 CG HIS A 92 13.870 5.233 23.351 1.00 12.27 C ATOM 1487 ND1 HIS A 92 14.568 4.054 23.489 1.00 13.39 N ATOM 1488 CD2 HIS A 92 12.841 4.961 22.511 1.00 11.43 C ATOM 1489 CE1 HIS A 92 13.984 3.111 22.769 1.00 11.64 C ATOM 1490 NE2 HIS A 92 12.933 3.638 22.170 1.00 13.37 N ATOM 1491 HA HIS A 92 13.244 6.260 25.997 1.00 0.00 H ATOM 1492 HB2 HIS A 92 14.342 7.286 23.344 1.00 0.00 H ATOM 1493 HB3 HIS A 92 15.195 6.323 24.573 1.00 0.00 H ATOM 1494 HD2 HIS A 92 12.082 5.665 22.170 1.00 0.00 H ATOM 1495 HE1 HIS A 92 14.314 2.076 22.685 1.00 0.00 H ATOM 1496 H HIS A 92 11.612 7.470 23.767 1.00 0.00 H ATOM 1497 N ALA A 93 14.063 8.557 26.639 1.00 6.93 N ATOM 1498 CA ALA A 93 14.459 9.929 26.963 1.00 6.63 C ATOM 1499 C ALA A 93 15.833 10.209 26.237 1.00 6.31 C ATOM 1500 O ALA A 93 16.041 11.291 25.692 1.00 6.84 O ATOM 1501 CB ALA A 93 14.641 10.109 28.490 1.00 6.00 C ATOM 1502 HA ALA A 93 13.685 10.623 26.634 1.00 0.00 H ATOM 1503 HB1 ALA A 93 13.701 9.888 28.995 1.00 0.00 H ATOM 1504 HB2 ALA A 93 15.415 9.428 28.845 1.00 0.00 H ATOM 1505 HB3 ALA A 93 14.935 11.137 28.701 1.00 0.00 H ATOM 1506 H ALA A 93 14.184 7.792 27.333 1.00 0.00 H ATOM 1507 N ASP A 94 16.734 9.216 26.307 1.00 6.95 N ATOM 1508 CA ASP A 94 18.069 9.308 25.742 1.00 6.08 C ATOM 1509 C ASP A 94 18.702 10.614 26.242 1.00 5.87 C ATOM 1510 O ASP A 94 18.865 10.771 27.460 1.00 5.94 O ATOM 1511 CB ASP A 94 18.048 9.181 24.218 1.00 7.14 C ATOM 1512 CG ASP A 94 17.769 7.748 23.755 1.00 6.82 C ATOM 1513 OD1 ASP A 94 17.556 6.845 24.594 1.00 9.04 O ATOM 1514 OD2 ASP A 94 17.783 7.518 22.545 1.00 7.59 O ATOM 1515 HA ASP A 94 18.686 8.473 26.076 1.00 0.00 H ATOM 1516 HB2 ASP A 94 17.270 9.835 23.823 1.00 0.00 H ATOM 1517 HB3 ASP A 94 19.016 9.493 23.827 1.00 0.00 H ATOM 1518 H ASP A 94 16.462 8.336 26.790 1.00 0.00 H ATOM 1519 N GLY A 95 19.044 11.534 25.352 1.00 4.93 N ATOM 1520 CA GLY A 95 19.648 12.783 25.784 1.00 6.13 C ATOM 1521 C GLY A 95 18.708 13.959 26.056 1.00 6.36 C ATOM 1522 O GLY A 95 19.181 15.047 26.401 1.00 7.18 O ATOM 1523 HA3 GLY A 95 20.347 13.095 25.008 1.00 0.00 H ATOM 1524 HA2 GLY A 95 20.196 12.581 26.705 1.00 0.00 H ATOM 1525 H GLY A 95 18.879 11.361 24.340 1.00 0.00 H ATOM 1526 N LEU A 96 17.399 13.755 25.886 1.00 5.53 N ATOM 1527 CA LEU A 96 16.418 14.819 26.095 1.00 6.52 C ATOM 1528 C LEU A 96 16.132 15.013 27.568 1.00 5.77 C ATOM 1529 O LEU A 96 16.309 14.097 28.360 1.00 6.19 O ATOM 1530 CB LEU A 96 15.099 14.458 25.420 1.00 6.88 C ATOM 1531 CG LEU A 96 15.107 14.142 23.924 1.00 8.36 C ATOM 1532 CD1 LEU A 96 13.688 13.781 23.470 1.00 9.17 C ATOM 1533 CD2 LEU A 96 15.629 15.315 23.144 1.00 10.20 C ATOM 1534 HA LEU A 96 16.836 15.732 25.671 1.00 0.00 H ATOM 1535 HB2 LEU A 96 14.705 13.580 25.932 1.00 0.00 H ATOM 1536 HB3 LEU A 96 14.421 15.299 25.568 1.00 0.00 H ATOM 1537 HG LEU A 96 15.766 13.293 23.740 1.00 0.00 H ATOM 1538 HD21 LEU A 96 14.991 16.181 23.321 1.00 0.00 H ATOM 1539 HD22 LEU A 96 16.646 15.540 23.465 1.00 0.00 H ATOM 1540 HD23 LEU A 96 15.628 15.073 22.081 1.00 0.00 H ATOM 1541 HD11 LEU A 96 13.341 12.909 24.024 1.00 0.00 H ATOM 1542 HD12 LEU A 96 13.022 14.622 23.661 1.00 0.00 H ATOM 1543 HD13 LEU A 96 13.695 13.556 22.403 1.00 0.00 H ATOM 1544 H LEU A 96 17.068 12.812 25.597 1.00 0.00 H ATOM 1545 N CYS A 97 15.523 16.143 27.914 1.00 6.50 N ATOM 1546 CA CYS A 97 15.196 16.450 29.316 1.00 6.41 C ATOM 1547 C CYS A 97 14.113 15.516 29.889 1.00 6.80 C ATOM 1548 O CYS A 97 14.029 15.325 31.119 1.00 6.89 O ATOM 1549 CB CYS A 97 14.749 17.908 29.471 1.00 7.26 C ATOM 1550 SG CYS A 97 13.408 18.426 28.373 1.00 8.05 S ATOM 1551 HA CYS A 97 16.112 16.288 29.884 1.00 0.00 H ATOM 1552 HB2 CYS A 97 15.610 18.547 29.276 1.00 0.00 H ATOM 1553 HB3 CYS A 97 14.417 18.051 30.499 1.00 0.00 H ATOM 1554 HG CYS A 97 13.806 18.275 27.060 1.00 0.00 H ATOM 1555 H CYS A 97 15.271 16.829 27.174 1.00 0.00 H ATOM 1556 N HIS A 98 13.315 14.929 28.987 1.00 6.90 N ATOM 1557 CA HIS A 98 12.244 14.019 29.357 1.00 6.03 C ATOM 1558 C HIS A 98 11.730 13.413 28.085 1.00 5.47 C ATOM 1559 O HIS A 98 11.855 14.013 27.008 1.00 6.38 O ATOM 1560 CB HIS A 98 11.100 14.794 30.009 1.00 5.83 C ATOM 1561 CG HIS A 98 10.130 13.932 30.749 1.00 6.11 C ATOM 1562 ND1 HIS A 98 9.037 13.343 30.146 1.00 6.25 N ATOM 1563 CD2 HIS A 98 10.109 13.529 32.043 1.00 5.49 C ATOM 1564 CE1 HIS A 98 8.388 12.610 31.034 1.00 7.56 C ATOM 1565 NE2 HIS A 98 9.018 12.706 32.194 1.00 7.24 N ATOM 1566 HA HIS A 98 12.610 13.266 30.055 1.00 0.00 H ATOM 1567 HB2 HIS A 98 11.527 15.511 30.710 1.00 0.00 H ATOM 1568 HB3 HIS A 98 10.559 15.329 29.229 1.00 0.00 H ATOM 1569 HD2 HIS A 98 10.823 13.806 32.819 1.00 0.00 H ATOM 1570 HE1 HIS A 98 7.488 12.026 30.843 1.00 0.00 H ATOM 1571 H HIS A 98 13.469 15.133 27.979 1.00 0.00 H ATOM 1572 N ARG A 99 11.189 12.203 28.159 1.00 5.39 N ATOM 1573 CA ARG A 99 10.603 11.606 26.953 1.00 5.66 C ATOM 1574 C ARG A 99 9.370 12.550 26.547 1.00 4.99 C ATOM 1575 O ARG A 99 8.797 13.242 27.416 1.00 4.49 O ATOM 1576 CB ARG A 99 10.087 10.183 27.245 1.00 6.72 C ATOM 1577 CG ARG A 99 8.745 10.131 27.944 1.00 7.87 C ATOM 1578 CD ARG A 99 8.262 8.698 28.166 1.00 10.62 C ATOM 1579 NE ARG A 99 6.992 8.691 28.906 1.00 11.69 N ATOM 1580 CZ ARG A 99 5.783 8.783 28.350 1.00 11.21 C ATOM 1581 NH1 ARG A 99 5.637 8.878 27.028 1.00 11.82 N ATOM 1582 NH2 ARG A 99 4.714 8.823 29.135 1.00 12.58 N ATOM 1583 HA ARG A 99 11.343 11.531 26.156 1.00 0.00 H ATOM 1584 HB2 ARG A 99 9.998 9.652 26.297 1.00 0.00 H ATOM 1585 HB3 ARG A 99 10.819 9.678 27.875 1.00 0.00 H ATOM 1586 HG2 ARG A 99 8.834 10.625 28.911 1.00 0.00 H ATOM 1587 HG3 ARG A 99 8.011 10.658 27.334 1.00 0.00 H ATOM 1588 HD2 ARG A 99 9.013 8.151 28.736 1.00 0.00 H ATOM 1589 HD3 ARG A 99 8.117 8.214 27.200 1.00 0.00 H ATOM 1590 HE ARG A 99 7.040 8.608 29.942 1.00 0.00 H ATOM 1591 HH12 ARG A 99 4.686 8.949 26.614 1.00 0.00 H ATOM 1592 HH11 ARG A 99 6.474 8.881 26.411 1.00 0.00 H ATOM 1593 HH22 ARG A 99 3.764 8.895 28.717 1.00 0.00 H ATOM 1594 HH21 ARG A 99 4.826 8.783 30.168 1.00 0.00 H ATOM 1595 H ARG A 99 11.180 11.684 29.060 1.00 0.00 H ATOM 1596 N LEU A 100 9.019 12.571 25.260 1.00 5.21 N ATOM 1597 CA LEU A 100 7.884 13.379 24.789 1.00 5.06 C ATOM 1598 C LEU A 100 6.620 12.715 25.282 1.00 5.58 C ATOM 1599 O LEU A 100 6.458 11.489 25.176 1.00 5.96 O ATOM 1600 CB LEU A 100 7.878 13.486 23.253 1.00 5.14 C ATOM 1601 CG LEU A 100 9.198 14.018 22.641 1.00 4.36 C ATOM 1602 CD1 LEU A 100 9.053 14.091 21.115 1.00 4.85 C ATOM 1603 CD2 LEU A 100 9.613 15.361 23.250 1.00 4.52 C ATOM 1604 HA LEU A 100 7.960 14.395 25.177 1.00 0.00 H ATOM 1605 HB2 LEU A 100 7.688 12.494 22.843 1.00 0.00 H ATOM 1606 HB3 LEU A 100 7.072 14.159 22.961 1.00 0.00 H ATOM 1607 HG LEU A 100 10.004 13.325 22.882 1.00 0.00 H ATOM 1608 HD21 LEU A 100 8.831 16.098 23.068 1.00 0.00 H ATOM 1609 HD22 LEU A 100 9.759 15.242 24.324 1.00 0.00 H ATOM 1610 HD23 LEU A 100 10.543 15.695 22.791 1.00 0.00 H ATOM 1611 HD11 LEU A 100 8.842 13.096 20.723 1.00 0.00 H ATOM 1612 HD12 LEU A 100 8.234 14.764 20.861 1.00 0.00 H ATOM 1613 HD13 LEU A 100 9.980 14.465 20.681 1.00 0.00 H ATOM 1614 H LEU A 100 9.559 12.004 24.576 1.00 0.00 H ATOM 1615 N THR A 101 5.744 13.524 25.877 1.00 5.38 N ATOM 1616 CA THR A 101 4.496 13.008 26.417 1.00 6.70 C ATOM 1617 C THR A 101 3.279 13.454 25.592 1.00 7.83 C ATOM 1618 O THR A 101 2.826 12.705 24.690 1.00 9.31 O ATOM 1619 CB THR A 101 4.353 13.359 27.928 1.00 6.05 C ATOM 1620 OG1 THR A 101 4.467 14.772 28.126 1.00 5.61 O ATOM 1621 CG2 THR A 101 5.432 12.646 28.742 1.00 5.83 C ATOM 1622 HA THR A 101 4.528 11.921 26.340 1.00 0.00 H ATOM 1623 HB THR A 101 3.370 13.028 28.263 1.00 0.00 H ATOM 1624 HG1 THR A 101 4.374 14.978 29.090 1.00 0.00 H ATOM 1625 HG23 THR A 101 5.347 11.570 28.592 1.00 0.00 H ATOM 1626 HG21 THR A 101 6.415 12.983 28.413 1.00 0.00 H ATOM 1627 HG22 THR A 101 5.301 12.879 29.799 1.00 0.00 H ATOM 1628 H THR A 101 5.956 14.539 25.956 1.00 0.00 H ATOM 1629 N THR A 102 2.818 14.688 25.801 1.00 7.69 N ATOM 1630 CA THR A 102 1.661 15.178 25.054 1.00 8.07 C ATOM 1631 C THR A 102 1.889 16.518 24.368 1.00 7.21 C ATOM 1632 O THR A 102 2.717 17.332 24.783 1.00 6.16 O ATOM 1633 CB THR A 102 0.360 15.208 25.925 1.00 9.20 C ATOM 1634 OG1 THR A 102 0.510 16.142 26.999 1.00 11.68 O ATOM 1635 CG2 THR A 102 0.053 13.805 26.511 1.00 8.95 C ATOM 1636 HA THR A 102 1.518 14.449 24.257 1.00 0.00 H ATOM 1637 HB THR A 102 -0.467 15.512 25.284 1.00 0.00 H ATOM 1638 HG1 THR A 102 1.275 15.871 27.566 1.00 0.00 H ATOM 1639 HG23 THR A 102 -0.062 13.090 25.697 1.00 0.00 H ATOM 1640 HG21 THR A 102 0.875 13.494 27.156 1.00 0.00 H ATOM 1641 HG22 THR A 102 -0.869 13.849 27.091 1.00 0.00 H ATOM 1642 H THR A 102 3.283 15.304 26.498 1.00 0.00 H ATOM 1643 N VAL A 103 1.138 16.729 23.292 1.00 7.68 N ATOM 1644 CA VAL A 103 1.232 17.953 22.521 1.00 7.97 C ATOM 1645 C VAL A 103 0.811 19.217 23.349 1.00 8.12 C ATOM 1646 O VAL A 103 -0.140 19.196 24.127 1.00 7.65 O ATOM 1647 CB VAL A 103 0.425 17.847 21.238 1.00 7.56 C ATOM 1648 CG1 VAL A 103 0.573 19.093 20.430 1.00 8.76 C ATOM 1649 CG2 VAL A 103 0.890 16.628 20.454 1.00 12.21 C ATOM 1650 HA VAL A 103 2.282 18.085 22.259 1.00 0.00 H ATOM 1651 HB VAL A 103 -0.632 17.730 21.478 1.00 0.00 H ATOM 1652 HG11 VAL A 103 0.214 19.944 21.008 1.00 0.00 H ATOM 1653 HG12 VAL A 103 1.624 19.240 20.180 1.00 0.00 H ATOM 1654 HG13 VAL A 103 -0.011 19.002 19.514 1.00 0.00 H ATOM 1655 HG21 VAL A 103 1.948 16.734 20.214 1.00 0.00 H ATOM 1656 HG22 VAL A 103 0.741 15.732 21.056 1.00 0.00 H ATOM 1657 HG23 VAL A 103 0.313 16.549 19.533 1.00 0.00 H ATOM 1658 H VAL A 103 0.464 15.995 22.995 1.00 0.00 H ATOM 1659 N CYS A 104 1.590 20.275 23.195 1.00 8.10 N ATOM 1660 CA CYS A 104 1.335 21.520 23.875 1.00 9.07 C ATOM 1661 C CYS A 104 -0.027 22.136 23.497 1.00 11.59 C ATOM 1662 O CYS A 104 -0.422 22.090 22.349 1.00 10.77 O ATOM 1663 CB CYS A 104 2.403 22.555 23.511 1.00 8.76 C ATOM 1664 SG CYS A 104 2.456 23.932 24.646 1.00 9.87 S ATOM 1665 HA CYS A 104 1.345 21.284 24.939 1.00 0.00 H ATOM 1666 HB2 CYS A 104 2.192 22.936 22.512 1.00 0.00 H ATOM 1667 HB3 CYS A 104 3.377 22.065 23.513 1.00 0.00 H ATOM 1668 HG CYS A 104 1.234 24.573 24.647 1.00 0.00 H ATOM 1669 H CYS A 104 2.413 20.206 22.563 1.00 0.00 H ATOM 1670 N PRO A 105 -0.759 22.665 24.486 1.00 14.21 N ATOM 1671 CA PRO A 105 -2.056 23.303 24.242 1.00 17.80 C ATOM 1672 C PRO A 105 -1.727 24.705 23.698 1.00 20.74 C ATOM 1673 O PRO A 105 -0.641 25.220 23.958 1.00 20.45 O ATOM 1674 CB PRO A 105 -2.634 23.459 25.657 1.00 16.81 C ATOM 1675 CG PRO A 105 -1.959 22.377 26.460 1.00 17.27 C ATOM 1676 CD PRO A 105 -0.541 22.436 25.930 1.00 15.67 C ATOM 1677 HA PRO A 105 -2.723 22.770 23.564 1.00 0.00 H ATOM 1678 HD3 PRO A 105 0.017 23.257 26.381 1.00 0.00 H ATOM 1679 HD2 PRO A 105 -0.013 21.499 26.107 1.00 0.00 H ATOM 1680 HG3 PRO A 105 -2.412 21.403 26.274 1.00 0.00 H ATOM 1681 HG2 PRO A 105 -1.993 22.595 27.527 1.00 0.00 H ATOM 1682 HB2 PRO A 105 -2.401 24.443 26.063 1.00 0.00 H ATOM 1683 HB3 PRO A 105 -3.715 23.317 25.650 1.00 0.00 H ATOM 1684 N THR A 106 -2.669 25.321 22.974 1.00 24.38 N ATOM 1685 CA THR A 106 -2.564 26.679 22.411 1.00 28.31 C ATOM 1686 C THR A 106 -3.199 27.699 23.544 1.00 29.62 C ATOM 1687 O THR A 106 -2.946 28.935 23.503 1.00 31.01 O ATOM 1688 CB THR A 106 -3.416 26.776 21.085 1.00 29.56 C ATOM 1689 OG1 THR A 106 -2.893 25.882 20.094 1.00 32.43 O ATOM 1690 CG2 THR A 106 -3.458 28.190 20.521 1.00 31.73 C ATOM 1691 HA THR A 106 -1.530 26.931 22.174 1.00 0.00 H ATOM 1692 HB THR A 106 -4.436 26.493 21.343 1.00 0.00 H ATOM 1693 HG1 THR A 106 -3.435 25.952 19.269 1.00 0.00 H ATOM 1694 HG23 THR A 106 -3.856 28.869 21.275 1.00 0.00 H ATOM 1695 HG21 THR A 106 -2.450 28.500 20.246 1.00 0.00 H ATOM 1696 HG22 THR A 106 -4.098 28.209 19.639 1.00 0.00 H ATOM 1697 H THR A 106 -3.549 24.797 22.793 1.00 0.00 H TER 1698 THR A 106 HETATM 1699 O HOH 1 5.174 13.764 32.311 1.00 7.09 O HETATM 1700 O HOH 2 15.918 16.247 32.668 1.00 12.17 O HETATM 1701 O HOH 3 19.039 9.396 20.964 1.00 10.21 O HETATM 1702 O HOH 4 5.275 33.136 16.957 1.00 10.51 O HETATM 1703 O HOH 5 6.994 20.452 32.233 1.00 6.84 O HETATM 1704 O HOH 6 5.376 21.085 35.022 1.00 12.76 O HETATM 1705 O HOH 7 0.321 12.350 16.319 1.00 11.28 O HETATM 1706 O HOH 8 15.374 33.439 19.334 1.00 9.96 O HETATM 1707 O HOH 9 20.647 18.535 16.254 1.00 8.00 O HETATM 1708 O HOH 10 16.499 34.614 15.934 1.00 6.13 O HETATM 1709 O HOH 11 20.778 4.622 17.726 1.00 19.17 O HETATM 1710 O HOH 12 18.288 3.837 19.165 1.00 18.16 O HETATM 1711 O HOH 13 5.898 6.196 20.730 1.00 12.62 O HETATM 1712 O HOH 14 21.604 8.424 20.587 1.00 9.98 O HETATM 1713 O HOH 15 19.389 15.850 29.366 1.00 11.28 O HETATM 1714 O HOH 16 3.638 31.464 29.685 1.00 21.86 O HETATM 1715 O HOH 17 3.702 10.956 21.795 1.00 22.64 O HETATM 1716 O HOH 18 12.661 28.681 29.642 1.00 17.56 O HETATM 1717 O HOH 19 10.356 33.472 26.765 1.00 17.44 O HETATM 1718 O HOH 20 7.648 33.409 26.704 1.00 28.06 O HETATM 1719 O HOH 21 10.731 29.529 14.704 1.00 16.44 O HETATM 1720 O HOH 22 4.062 10.097 24.537 1.00 16.65 O HETATM 1721 O HOH 23 7.784 4.572 14.758 1.00 12.95 O HETATM 1722 O HOH 24 10.032 31.246 12.613 1.00 20.13 O HETATM 1723 O HOH 25 11.371 30.089 10.487 1.00 14.48 O HETATM 1724 O HOH 26 15.111 17.976 34.729 1.00 17.69 O HETATM 1725 O HOH 27 15.317 30.721 25.172 1.00 15.45 O HETATM 1726 O HOH 28 -2.238 14.605 20.284 1.00 18.00 O HETATM 1727 O HOH 29 13.351 27.825 7.972 1.00 67.48 O HETATM 1728 O HOH 30 4.703 35.215 21.530 1.00 17.92 O HETATM 1729 O HOH 31 -0.240 26.266 26.642 1.00 22.21 O HETATM 1730 O HOH 32 0.751 29.518 28.508 1.00 21.36 O HETATM 1731 O HOH 33 11.871 28.730 33.002 1.00 24.43 O HETATM 1732 O HOH 34 2.662 11.198 14.188 1.00 18.44 O HETATM 1733 O HOH 35 -0.684 21.495 11.972 1.00 39.93 O HETATM 1734 O HOH 36 10.231 3.484 7.648 1.00 14.47 O HETATM 1735 O HOH 37 15.573 21.163 31.466 1.00 17.24 O HETATM 1736 O HOH 38 -2.579 22.010 20.824 1.00 17.78 O HETATM 1737 O HOH 39 8.639 9.092 31.440 1.00 13.29 O HETATM 1738 O HOH 40 16.265 26.610 26.811 1.00 14.93 O HETATM 1739 O HOH 41 -3.655 24.089 29.350 1.00 50.04 O HETATM 1740 O HOH 42 4.599 10.148 15.722 1.00 16.64 O HETATM 1741 O HOH 43 -0.720 14.566 22.602 1.00 22.81 O HETATM 1742 O HOH 44 0.729 29.018 34.434 1.00 33.10 O HETATM 1743 O HOH 45 15.684 25.255 30.589 1.00 16.13 O HETATM 1744 O HOH 46 -4.084 16.549 19.898 1.00 27.47 O HETATM 1745 O HOH 47 -2.550 20.976 18.322 1.00 17.59 O HETATM 1746 O HOH 48 15.288 16.788 43.560 1.00 20.24 O HETATM 1747 O HOH 49 4.785 9.108 31.868 1.00 45.37 O HETATM 1748 O HOH 50 5.961 6.304 13.563 1.00 23.07 O HETATM 1749 O HOH 51 30.304 8.303 20.381 1.00 17.30 O HETATM 1750 O HOH 52 8.617 6.266 6.667 1.00 27.36 O HETATM 1751 O HOH 53 1.393 24.092 11.222 1.00 26.85 O HETATM 1752 O HOH 54 11.370 11.150 33.767 1.00 21.85 O HETATM 1753 O HOH 55 2.731 34.208 12.380 1.00 68.16 O HETATM 1754 O HOH 56 20.448 32.267 21.596 1.00 66.24 O HETATM 1755 O HOH 57 1.023 30.386 32.032 1.00 33.05 O HETATM 1756 O HOH 58 24.884 7.234 11.465 1.00 55.57 O HETATM 1757 O HOH 59 24.747 4.815 15.104 1.00 36.52 O HETATM 1758 O HOH 60 -0.943 24.560 28.970 1.00 32.98 O HETATM 1759 O HOH 61 -4.597 19.212 18.828 1.00 17.40 O HETATM 1760 O HOH 62 0.477 29.881 19.055 1.00 31.43 O HETATM 1761 O HOH 63 9.638 30.745 7.333 1.00 32.52 O HETATM 1762 O HOH 64 -4.689 26.598 31.675 1.00 55.13 O HETATM 1763 O HOH 65 5.043 36.418 24.062 1.00 26.52 O HETATM 1764 O HOH 66 20.846 33.122 15.506 1.00 15.36 O HETATM 1765 O HOH 67 6.567 29.330 7.027 1.00 35.49 O HETATM 1766 O HOH 68 9.184 27.823 5.337 1.00 71.80 O HETATM 1767 O HOH 69 -1.880 27.490 34.125 1.00 27.57 O HETATM 1768 O HOH 70 22.840 36.795 17.413 1.00 24.44 O HETATM 1769 O HOH 71 16.117 27.549 42.723 1.00 51.46 O HETATM 1770 O HOH 72 20.704 5.961 13.111 1.00 10.11 O HETATM 1771 O HOH 73 21.062 22.344 28.466 1.00 37.78 O HETATM 1772 O HOH 74 18.510 17.691 27.339 1.00 17.60 O HETATM 1773 O HOH 75 16.718 4.567 25.478 1.00 44.78 O HETATM 1774 O HOH 76 4.098 22.982 36.631 1.00 20.52 O HETATM 1775 O HOH 77 -2.891 20.777 29.423 1.00 33.73 O HETATM 1776 O HOH 78 0.192 34.347 27.719 1.00 52.57 O HETATM 1777 O HOH 79 19.875 20.699 20.084 1.00 11.67 O HETATM 1778 O HOH 80 8.266 11.951 34.672 1.00 17.42 O HETATM 1779 O HOH 81 3.288 27.952 10.111 1.00 29.00 O HETATM 1780 O HOH 82 6.306 25.108 8.351 1.00 19.62 O HETATM 1781 O HOH 83 5.679 35.121 10.207 1.00 24.56 O HETATM 1782 O HOH 84 7.715 26.227 38.299 1.00 17.95 O HETATM 1783 O HOH 85 14.946 4.698 12.438 1.00 5.82 O HETATM 1784 O HOH 86 -1.560 28.722 26.881 1.00 42.05 O HETATM 1785 O HOH 87 -2.216 18.917 33.704 1.00 10.47 O HETATM 1786 O HOH 88 13.951 17.643 41.267 1.00 14.84 O HETATM 1787 O HOH 89 17.352 24.969 25.108 1.00 10.09 O HETATM 1788 O HOH 90 18.340 11.717 16.961 1.00 5.74 O HETATM 1789 O HOH 91 8.413 13.365 8.115 1.00 12.10 O HETATM 1790 O HOH 92 8.389 3.076 12.510 1.00 13.67 O HETATM 1791 O HOH 93 18.661 12.964 29.089 1.00 6.75 O HETATM 1792 O HOH 94 10.867 22.995 5.765 1.00 37.52 O HETATM 1793 O HOH 95 -0.440 28.143 17.341 1.00 58.41 O HETATM 1794 O HOH 96 1.348 29.650 12.311 1.00 74.59 O HETATM 1795 O HOH 97 5.734 35.573 26.607 1.00 36.12 O HETATM 1796 O HOH 98 4.174 28.856 35.132 1.00 53.73 O HETATM 1797 O HOH 99 -5.147 24.387 37.037 1.00 51.41 O HETATM 1798 O HOH 100 11.944 25.184 8.154 1.00 33.16 O HETATM 1799 O HOH 101 17.743 20.309 8.343 1.00 19.53 O HETATM 1800 O HOH 102 14.021 28.026 35.168 1.00 21.91 O HETATM 1801 O HOH 103 12.805 5.349 10.766 1.00 8.25 O HETATM 1802 O HOH 104 10.136 12.116 36.648 1.00 28.02 O HETATM 1803 O HOH 105 5.348 9.874 6.551 1.00 37.39 O HETATM 1804 O HOH 106 15.631 30.345 8.531 1.00 48.03 O HETATM 1805 O HOH 107 7.293 9.343 34.282 1.00 40.04 O HETATM 1806 O HOH 108 20.371 33.642 13.044 1.00 27.61 O HETATM 1807 O HOH 109 2.361 34.832 9.648 1.00 54.03 O HETATM 1808 O HOH 110 7.566 32.098 33.408 1.00 61.86 O HETATM 1809 O HOH 111 14.360 30.283 6.245 1.00 47.29 O HETATM 1810 O HOH 112 -0.586 23.654 15.630 1.00 43.07 O HETATM 1811 O HOH 113 2.207 25.435 8.965 1.00 94.79 O HETATM 1812 O HOH 114 9.343 28.811 36.323 1.00 37.61 O HETATM 1813 O HOH 115 6.887 33.774 29.794 1.00 46.27 O HETATM 1814 O HOH 116 10.183 33.212 30.128 1.00 42.75 O HETATM 1815 O HOH 117 11.709 3.093 3.920 1.00 38.36 O HETATM 1816 O HOH 118 2.552 37.436 24.990 1.00 53.85 O HETATM 1817 O HOH 119 -3.776 27.085 36.391 1.00 66.34 O HETATM 1818 O HOH 120 20.999 28.697 38.546 1.00 74.73 O HETATM 1819 O HOH 121 19.935 24.485 26.654 1.00 51.79 O HETATM 1820 O HOH 122 21.483 18.454 7.735 1.00 56.51 O HETATM 1821 O HOH 123 6.115 7.997 9.454 1.00 30.13 O HETATM 1822 O HOH 124 12.340 11.109 37.749 1.00 14.70 O HETATM 1823 O HOH 125 9.891 16.572 38.493 1.00 17.80 O HETATM 1824 O HOH 126 8.653 14.290 37.205 1.00 20.74 O HETATM 1825 O HOH 127 16.624 20.390 46.297 1.00 20.02 O HETATM 1826 O HOH 128 13.364 9.710 35.664 1.00 30.47 O HETATM 1827 O HOH 129 16.956 28.419 45.414 1.00 30.78 O HETATM 1828 O HOH 130 20.782 22.384 9.637 1.00 39.31 O HETATM 1829 O HOH 131 18.301 25.597 14.387 1.00 22.22 O HETATM 1830 O HOH 132 16.928 29.179 26.557 1.00 30.98 O HETATM 1831 O HOH 133 14.883 18.045 45.798 1.00 26.15 O HETATM 1832 O HOH 134 10.744 37.030 31.782 1.00 39.99 O HETATM 1833 O HOH 135 17.724 30.449 42.868 1.00 45.02 O HETATM 1834 O HOH 136 24.742 11.153 8.805 1.00 49.43 O HETATM 1835 O HOH 137 21.083 35.528 21.049 1.00 39.38 O HETATM 1836 O HOH 138 17.191 23.317 13.826 1.00 36.95 O HETATM 1837 O HOH 139 25.631 22.754 7.565 1.00 55.36 O HETATM 1838 O HOH 140 6.000 6.798 6.776 1.00 46.08 O HETATM 1839 O HOH 141 23.732 26.143 16.043 1.00 37.21 O HETATM 1840 O HOH 142 27.603 10.327 10.560 1.00 44.45 O HETATM 1841 O HOH 143 19.586 23.942 12.335 1.00 56.67 O HETATM 1842 O HOH 144 -2.351 37.330 27.953 1.00 49.94 O HETATM 1843 O HOH 145 25.325 13.009 5.795 1.00 52.28 O HETATM 1844 O HOH 146 7.173 21.610 6.515 1.00 52.09 O HETATM 1845 O HOH 147 21.919 17.322 3.517 1.00 28.53 O HETATM 1846 O HOH 148 19.356 29.925 32.297 1.00 50.64 O HETATM 1847 O HOH 149 18.640 26.711 29.055 1.00 45.79 O HETATM 1848 O HOH 150 10.072 5.253 4.654 1.00 64.88 O HETATM 1849 O HOH 151 4.985 26.858 37.551 1.00 36.18 O HETATM 1850 O HOH 152 23.144 33.560 12.685 1.00 38.30 O HETATM 1851 O HOH 153 3.783 32.914 33.142 1.00 55.38 O HETATM 1852 O HOH 154 10.633 14.565 3.847 1.00 52.71 O HETATM 1853 O HOH 155 3.002 9.805 8.606 1.00 56.91 O HETATM 1854 O HOH 156 22.397 24.449 12.505 1.00 53.96 O HETATM 1855 O HOH 157 22.251 27.067 13.911 1.00 46.48 O HETATM 1856 O HOH 158 23.031 15.101 2.374 1.00 70.38 O HETATM 1857 O HOH 159 26.558 16.235 2.280 1.00 54.59 O HETATM 1858 O HOH 160 21.729 30.547 15.843 1.00 22.60 O HETATM 1859 O HOH 161 0.803 27.400 14.628 1.00 37.29 O HETATM 1860 O HOH 162 5.407 33.276 12.017 1.00 47.18 O HETATM 1861 O HOH 163 2.008 16.081 28.834 1.00 26.16 O HETATM 1862 O HOH 164 14.434 20.964 34.611 1.00 26.43 O HETATM 1863 O HOH 165 19.512 22.994 31.767 1.00 28.80 O HETATM 1864 O HOH 166 5.945 11.272 32.623 1.00 41.79 O HETATM 1865 O HOH 167 19.006 32.353 24.411 1.00 35.69 O HETATM 1866 O HOH 168 -0.183 37.037 24.700 1.00 48.00 O HETATM 1867 O HOH 169 22.689 34.962 15.316 1.00 39.59 O HETATM 1868 O HOH 170 20.276 29.790 19.747 1.00 46.24 O HETATM 1869 O HOH 171 6.755 29.715 34.342 1.00 33.05 O HETATM 1870 O HOH 172 23.641 22.273 14.530 1.00 43.30 O HETATM 1871 O HOH 173 19.561 29.996 26.280 1.00 40.37 O HETATM 1872 O HOH 174 12.140 18.324 6.144 1.00 46.64 O HETATM 1873 O HOH 175 23.621 35.591 23.282 1.00 53.68 O HETATM 1874 O HOH 176 8.965 4.115 18.788 1.00 21.30 O HETATM 1875 O HOH 177 21.547 20.038 14.451 1.00 31.57 O HETATM 1876 O HOH 178 19.466 21.287 12.406 1.00 33.38 O HETATM 1877 O HOH 179 11.078 17.307 40.832 1.00 36.57 O HETATM 1878 O HOH 180 26.437 26.115 12.402 1.00 34.01 O HETATM 1879 O HOH 181 27.216 9.380 13.196 1.00 39.25 O HETATM 1880 O HOH 182 24.678 32.944 16.829 1.00 41.94 O HETATM 1881 O HOH 183 10.662 31.138 33.448 1.00 44.53 O HETATM 1882 O HOH 184 19.415 26.461 37.680 1.00 40.37 O HETATM 1883 O HOH 185 24.273 31.015 34.762 1.00 44.93 O HETATM 1884 O HOH 186 16.183 19.360 4.374 1.00 42.41 O HETATM 1885 C1 UNN A 187 19.018 25.265 19.565 1.00 -0.04 C HETATM 1886 C2 UNN A 187 17.652 24.909 19.389 1.00 -0.06 C HETATM 1887 C3 UNN A 187 16.823 25.681 18.546 1.00 -0.06 C HETATM 1888 C4 UNN A 187 17.412 26.752 17.784 1.00 -0.02 C HETATM 1889 C5 UNN A 187 18.834 27.058 17.851 1.00 0.01 C HETATM 1890 C6 UNN A 187 19.622 26.327 18.808 1.00 -0.05 C HETATM 1891 H3 UNN A 187 20.666 26.576 18.957 1.00 0.06 H HETATM 1892 C68 UNN A 187 19.524 27.982 16.864 1.00 0.06 C HETATM 1893 O69 UNN A 187 20.009 29.155 17.275 1.00 -0.56 O HETATM 1894 O70 UNN A 187 19.616 27.668 15.709 1.00 -0.56 O HETATM 1895 C71 UNN A 187 16.475 27.487 16.822 1.00 0.03 C HETATM 1896 C72 UNN A 187 15.331 28.245 17.490 1.00 0.05 C HETATM 1897 O75 UNN A 187 14.558 28.806 16.562 1.00 -0.57 O HETATM 1898 O76 UNN A 187 15.140 28.353 18.662 1.00 -0.57 O HETATM 1899 H32 UNN A 187 16.039 26.745 16.137 1.00 0.06 H HETATM 1900 H33 UNN A 187 17.074 28.209 16.248 1.00 0.06 H HETATM 1901 H2 UNN A 187 15.762 25.471 18.474 1.00 0.06 H HETATM 1902 H1 UNN A 187 17.247 24.044 19.902 1.00 0.06 H HETATM 1903 C10 UNN A 187 19.847 24.488 20.619 1.00 0.02 C HETATM 1904 C11 UNN A 187 19.600 25.083 22.015 1.00 0.14 C HETATM 1905 C14 UNN A 187 20.303 24.251 23.076 1.00 0.21 C HETATM 1906 N15 UNN A 187 19.608 23.224 23.530 1.00 -0.26 N HETATM 1907 C24 UNN A 187 20.291 22.244 24.359 1.00 0.13 C HETATM 1908 C25 UNN A 187 21.362 21.421 23.530 1.00 0.21 C HETATM 1909 N26 UNN A 187 22.165 20.558 24.257 1.00 -0.26 N HETATM 1910 C28 UNN A 187 22.018 20.279 25.693 1.00 0.04 C HETATM 1911 C29 UNN A 187 20.720 19.596 26.056 1.00 -0.03 C HETATM 1912 C36 UNN A 187 19.564 20.578 26.204 1.00 -0.05 C HETATM 1913 C39 UNN A 187 19.195 21.340 24.919 1.00 -0.01 C HETATM 1914 H21 UNN A 187 18.938 20.600 24.147 1.00 0.03 H HETATM 1915 H22 UNN A 187 18.316 21.965 25.135 1.00 0.03 H HETATM 1916 H19 UNN A 187 19.838 21.316 26.972 1.00 0.03 H HETATM 1917 H20 UNN A 187 18.678 20.016 26.535 1.00 0.03 H HETATM 1918 H15 UNN A 187 20.856 19.065 27.010 1.00 0.03 H HETATM 1919 H16 UNN A 187 20.469 18.873 25.266 1.00 0.03 H HETATM 1920 H13 UNN A 187 22.071 21.233 26.238 1.00 0.05 H HETATM 1921 H14 UNN A 187 22.849 19.631 26.006 1.00 0.05 H HETATM 1922 C32 UNN A 187 23.179 19.683 23.582 1.00 0.07 C HETATM 1923 C33 UNN A 187 22.556 18.303 23.322 1.00 -0.02 C HETATM 1924 C46 UNN A 187 21.405 18.267 22.435 1.00 -0.06 C HETATM 1925 C47 UNN A 187 20.722 17.059 22.268 1.00 -0.06 C HETATM 1926 C48 UNN A 187 21.276 15.876 22.891 1.00 -0.02 C HETATM 1927 C49 UNN A 187 22.461 15.886 23.732 1.00 -0.06 C HETATM 1928 C50 UNN A 187 23.061 17.132 23.989 1.00 -0.06 C HETATM 1929 H26 UNN A 187 23.892 17.209 24.680 1.00 0.06 H HETATM 1930 H25 UNN A 187 22.867 14.970 24.145 1.00 0.06 H HETATM 1931 C55 UNN A 187 20.567 14.584 22.579 1.00 -0.02 C HETATM 1932 C56 UNN A 187 19.138 14.562 22.383 1.00 -0.06 C HETATM 1933 C57 UNN A 187 18.518 13.335 22.124 1.00 -0.06 C HETATM 1934 C58 UNN A 187 19.267 12.124 22.106 1.00 -0.06 C HETATM 1935 C59 UNN A 187 20.655 12.145 22.283 1.00 -0.06 C HETATM 1936 C60 UNN A 187 21.334 13.378 22.464 1.00 -0.06 C HETATM 1937 H31 UNN A 187 22.416 13.408 22.515 1.00 0.06 H HETATM 1938 H30 UNN A 187 21.214 11.216 22.282 1.00 0.06 H HETATM 1939 H29 UNN A 187 18.758 11.179 21.954 1.00 0.06 H HETATM 1940 H28 UNN A 187 17.451 13.306 21.934 1.00 0.06 H HETATM 1941 H27 UNN A 187 18.558 15.476 22.435 1.00 0.06 H HETATM 1942 H24 UNN A 187 19.806 17.010 21.690 1.00 0.06 H HETATM 1943 H23 UNN A 187 21.082 19.160 21.913 1.00 0.06 H HETATM 1944 H17 UNN A 187 24.061 19.573 24.230 1.00 0.07 H HETATM 1945 H18 UNN A 187 23.480 20.137 22.627 1.00 0.07 H HETATM 1946 O27 UNN A 187 21.463 21.568 22.302 1.00 -0.39 O HETATM 1947 H12 UNN A 187 20.807 22.754 25.185 1.00 0.08 H HETATM 1948 H7 UNN A 187 18.638 23.123 23.309 1.00 0.19 H HETATM 1949 O16 UNN A 187 21.434 24.543 23.461 1.00 -0.39 O HETATM 1950 N17 UNN A 187 20.037 26.498 22.020 1.00 -0.26 N HETATM 1951 C18 UNN A 187 19.390 27.385 22.811 1.00 0.18 C HETATM 1952 O19 UNN A 187 18.410 27.078 23.499 1.00 -0.40 O HETATM 1953 C20 UNN A 187 19.987 28.826 22.787 1.00 0.03 C HETATM 1954 H9 UNN A 187 19.402 29.476 23.454 1.00 0.05 H HETATM 1955 H10 UNN A 187 19.947 29.222 21.762 1.00 0.05 H HETATM 1956 H11 UNN A 187 21.032 28.796 23.128 1.00 0.05 H HETATM 1957 H8 UNN A 187 20.800 26.794 21.446 1.00 0.19 H HETATM 1958 H6 UNN A 187 18.520 25.056 22.223 1.00 0.08 H HETATM 1959 H4 UNN A 187 20.916 24.566 20.373 1.00 0.05 H HETATM 1960 H5 UNN A 187 19.545 23.430 20.614 1.00 0.05 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 1885 1886 1890 1903 CONECT 1886 1885 1887 1902 CONECT 1887 1886 1888 1901 CONECT 1888 1887 1889 1895 CONECT 1889 1888 1890 1892 CONECT 1890 1885 1889 1891 CONECT 1891 1890 CONECT 1892 1889 1893 1894 CONECT 1893 1892 CONECT 1894 1892 CONECT 1895 1888 1896 1899 1900 CONECT 1896 1895 1897 1898 CONECT 1897 1896 CONECT 1898 1896 CONECT 1899 1895 CONECT 1900 1895 CONECT 1901 1887 CONECT 1902 1886 CONECT 1903 1885 1904 1959 1960 CONECT 1904 1903 1905 1950 1958 CONECT 1905 1904 1906 1949 CONECT 1906 1905 1907 1948 CONECT 1907 1906 1908 1913 1947 CONECT 1908 1907 1909 1946 CONECT 1909 1908 1910 1922 CONECT 1910 1909 1911 1920 1921 CONECT 1911 1910 1912 1918 1919 CONECT 1912 1911 1913 1916 1917 CONECT 1913 1907 1912 1914 1915 CONECT 1914 1913 CONECT 1915 1913 CONECT 1916 1912 CONECT 1917 1912 CONECT 1918 1911 CONECT 1919 1911 CONECT 1920 1910 CONECT 1921 1910 CONECT 1922 1909 1923 1944 1945 CONECT 1923 1922 1924 1928 CONECT 1924 1923 1925 1943 CONECT 1925 1924 1926 1942 CONECT 1926 1925 1927 1931 CONECT 1927 1926 1928 1930 CONECT 1928 1923 1927 1929 CONECT 1929 1928 CONECT 1930 1927 CONECT 1931 1926 1932 1936 CONECT 1932 1931 1933 1941 CONECT 1933 1932 1934 1940 CONECT 1934 1933 1935 1939 CONECT 1935 1934 1936 1938 CONECT 1936 1931 1935 1937 CONECT 1937 1936 CONECT 1938 1935 CONECT 1939 1934 CONECT 1940 1933 CONECT 1941 1932 CONECT 1942 1925 CONECT 1943 1924 CONECT 1944 1922 CONECT 1945 1922 CONECT 1946 1908 CONECT 1947 1907 CONECT 1948 1906 CONECT 1949 1905 CONECT 1950 1904 1951 1957 CONECT 1951 1950 1952 1953 CONECT 1952 1951 CONECT 1953 1951 1954 1955 1956 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1953 CONECT 1957 1950 CONECT 1958 1904 CONECT 1959 1903 CONECT 1960 1903 MASTER 0 0 0 0 0 0 0 0 1959 1 80 9 END
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Related entries of code: 1o48
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
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Protein Sequence Similarity
1a07
RCSB PDB
PDBbind
107aa, >1A07_1|Chains... at 99%
1a08
RCSB PDB
PDBbind
107aa, >1A08_1|Chains... at 99%
1a09
RCSB PDB
PDBbind
107aa, >1A09_1|Chains... at 99%
1a1b
RCSB PDB
PDBbind
107aa, >1A1B_1|Chains... at 99%
1a1c
RCSB PDB
PDBbind
107aa, >1A1C_1|Chains... at 99%
1a1e
RCSB PDB
PDBbind
107aa, >1A1E_1|Chains... at 99%
1is0
RCSB PDB
PDBbind
106aa, >1IS0_1|Chains... at 97%
1nlp
RCSB PDB
PDBbind
64aa, >1NLP_1|Chain... at 93%
1nzl
RCSB PDB
PDBbind
103aa, >1NZL_1|Chains... at 97%
1nzv
RCSB PDB
PDBbind
103aa, >1NZV_1|Chains... at 97%
1o41
RCSB PDB
PDBbind
108aa, >1O41_1|Chain... at 100%
1o42
RCSB PDB
PDBbind
108aa, >1O42_1|Chain... at 100%
1o43
RCSB PDB
PDBbind
108aa, >1O43_1|Chain... at 100%
1o44
RCSB PDB
PDBbind
108aa, >1O44_1|Chain... at 100%
1o45
RCSB PDB
PDBbind
108aa, >1O45_1|Chain... at 100%
1o46
RCSB PDB
PDBbind
108aa, >1O46_1|Chain... at 100%
1o47
RCSB PDB
PDBbind
108aa, >1O47_1|Chain... at 100%
1o49
RCSB PDB
PDBbind
108aa, >1O49_1|Chain... at 100%
1o4a
RCSB PDB
PDBbind
108aa, >1O4A_1|Chain... at 100%
1o4b
RCSB PDB
PDBbind
108aa, >1O4B_1|Chain... at 100%
1o4d
RCSB PDB
PDBbind
108aa, >1O4D_1|Chain... at 100%
1o4e
RCSB PDB
PDBbind
108aa, >1O4E_1|Chain... at 100%
1o4f
RCSB PDB
PDBbind
108aa, >1O4F_1|Chain... at 100%
1o4g
RCSB PDB
PDBbind
108aa, >1O4G_1|Chain... at 100%
1o4h
RCSB PDB
PDBbind
108aa, >1O4H_1|Chain... at 100%
1o4i
RCSB PDB
PDBbind
108aa, >1O4I_1|Chain... at 100%
1o4j
RCSB PDB
PDBbind
108aa, >1O4J_1|Chain... at 100%
1o4k
RCSB PDB
PDBbind
108aa, >1O4K_1|Chain... at 100%
1o4l
RCSB PDB
PDBbind
108aa, >1O4L_1|Chain... at 100%
1o4m
RCSB PDB
PDBbind
108aa, >1O4M_1|Chain... at 100%
1o4n
RCSB PDB
PDBbind
108aa, >1O4N_1|Chain... at 100%
1o4o
RCSB PDB
PDBbind
108aa, >1O4O_1|Chain... at 100%
1o4p
RCSB PDB
PDBbind
108aa, >1O4P_1|Chain... at 100%
1o4q
RCSB PDB
PDBbind
108aa, >1O4Q_1|Chain... at 100%
1o4r
RCSB PDB
PDBbind
108aa, >1O4R_1|Chain... at 100%
1prl
RCSB PDB
PDBbind
64aa, >1PRL_1|Chain... at 96%
1prm
RCSB PDB
PDBbind
64aa, >1PRM_1|Chain... at 96%
1rlp
RCSB PDB
PDBbind
64aa, >1RLP_1|Chain... at 96%
1rlq
RCSB PDB
PDBbind
64aa, >1RLQ_1|Chain... at 96%
1shd
RCSB PDB
PDBbind
107aa, >1SHD_1|Chain... at 99%
1skj
RCSB PDB
PDBbind
113aa, >1SKJ_1|Chain... at 90%
1y57
RCSB PDB
PDBbind
452aa, >1Y57_1|Chain... at 99%
2bdf
RCSB PDB
PDBbind
279aa, >2BDF_1|Chains... at 100%
2bdj
RCSB PDB
PDBbind
279aa, >2BDJ_1|Chain... at 100%
2h8h
RCSB PDB
PDBbind
535aa, >2H8H_1|Chain... *
2hwo
RCSB PDB
PDBbind
286aa, >2HWO_1|Chains... at 97%
2hwp
RCSB PDB
PDBbind
286aa, >2HWP_1|Chains... at 97%
2oiq
RCSB PDB
PDBbind
286aa, >2OIQ_1|Chains... at 98%
2qlq
RCSB PDB
PDBbind
286aa, >2QLQ_1|Chains... at 97%
2qq7
RCSB PDB
PDBbind
286aa, >2QQ7_1|Chains... at 97%
3el7
RCSB PDB
PDBbind
286aa, >3EL7_1|Chain... at 98%
3el8
RCSB PDB
PDBbind
286aa, >3EL8_1|Chains... at 98%
3f3t
RCSB PDB
PDBbind
286aa, >3F3T_1|Chains... at 97%
3f3u
RCSB PDB
PDBbind
286aa, >3F3U_1|Chains... at 97%
3f3v
RCSB PDB
PDBbind
286aa, >3F3V_1|Chains... at 97%
3f3w
RCSB PDB
PDBbind
286aa, >3F3W_1|Chains... at 97%
3g5d
RCSB PDB
PDBbind
286aa, >3G5D_1|Chains... at 97%
3g6g
RCSB PDB
PDBbind
286aa, >3G6G_1|Chains... at 98%
3g6h
RCSB PDB
PDBbind
286aa, >3G6H_1|Chains... at 97%
3lok
RCSB PDB
PDBbind
286aa, >3LOK_1|Chains... at 97%
3svv
RCSB PDB
PDBbind
286aa, >3SVV_1|Chains... at 97%
3u4w
RCSB PDB
PDBbind
275aa, >3U4W_1|Chain... at 99%
3u51
RCSB PDB
PDBbind
275aa, >3U51_1|Chains... at 99%
3uqf
RCSB PDB
PDBbind
286aa, >3UQF_1|Chains... at 98%
3uqg
RCSB PDB
PDBbind
286aa, >3UQG_1|Chains... at 98%
4dgg
RCSB PDB
PDBbind
286aa, >4DGG_1|Chains... at 98%
4fic
RCSB PDB
PDBbind
286aa, >4FIC_1|Chains... at 98%
4hxj
RCSB PDB
PDBbind
60aa, >4HXJ_1|Chains... at 98%
4lgg
RCSB PDB
PDBbind
270aa, >4LGG_1|Chains... at 98%
4lgh
RCSB PDB
PDBbind
277aa, >4LGH_1|Chains... at 98%
4mcv
RCSB PDB
PDBbind
278aa, >4MCV_1|Chains... at 98%
4o2p
RCSB PDB
PDBbind
286aa, >4O2P_1|Chains... at 98%
4u5j
RCSB PDB
PDBbind
286aa, >4U5J_1|Chains... at 98%
4ybj
RCSB PDB
PDBbind
286aa, >4YBJ_1|Chains... at 98%
4ybk
RCSB PDB
PDBbind
286aa, >4YBK_1|Chain... at 98%
5bmm
RCSB PDB
PDBbind
286aa, >5BMM_1|Chains... at 98%
5d10
RCSB PDB
PDBbind
286aa, >5D10_1|Chains... at 97%
5d11
RCSB PDB
PDBbind
286aa, >5D11_1|Chains... at 97%
5d12
RCSB PDB
PDBbind
286aa, >5D12_1|Chains... at 97%
6f3f
RCSB PDB
PDBbind
455aa, >6F3F_1|Chain... at 98%
5xp7
RCSB PDB
PDBbind
286aa, >5XP7_1|Chains... at 98%
5teh
RCSB PDB
PDBbind
286aa, >5TEH_1|Chains... at 97%
5sys
RCSB PDB
PDBbind
286aa, >5SYS_1|Chains... at 97%
5swh
RCSB PDB
PDBbind
286aa, >5SWH_1|Chains... at 97%
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
1o48
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
proto-oncogene tyrosine-protein kinase src
Ligand Name
853
EC.Number
E.C.2.7.1.112
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
IC50=450nM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
J.Med.Chem. v46 pp. 5184-95, 2003
Ligand Properties
Formula
C
3
3
H
3
5
N
3
O
7
Molecular Weight
585.647
Exact Mass
585.248
No. of atoms
78
No. of bonds
81
Polar Surface Area
153.11
LOGP Value
5.92 (
Computed with XLOGP3
)
4.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 10
No. of Rings: 4
Canonical SMILES
CC(=O)N[C@H](C(=O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1)Cc1ccc(c(c1)C(=O)O)CC(=O)O
InChI String
InChI=1S/C33H35N3O7/c1-21(37)34-29(18-23-12-15-26(19-30(38)39)27(17-23)33(42)43)31(40)35-28-9-5-6-16-36(32(28)41)20-22-10-13-25(14-11-22)24-7-3-2-4-8-24/h2-4,7-8,10-15,17,28-29H,5-6,9,16,18-20H2,1H3,(H,34,37)(H,35,40)(H,38,39)(H,42,43)/t28-,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P12931
Entrez Gene ID
NCBI Entrez Gene ID:
6714
ASD
Information of known allosteric effects of PDB entries
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