Browse entries in the PDBbind-CN Database
HEADER 4TKB_COMPLEX COMPND 4TKB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 133 MET VAL ASP ALA PHE LEU GLY THR TRP LYS LEU VAL ASP SEQRES 2 A 133 SER LYS ASN PHE ASP ASP TYR MET LYS SER LEU GLY VAL SEQRES 3 A 133 GLY PHE ALA THR ARG GLN VAL ALA SER MET THR LYS PRO SEQRES 4 A 133 THR THR ILE ILE GLU LYS ASN GLY ASP ILE LEU THR LEU SEQRES 5 A 133 LYS THR HIS SER THR PHE LYS ASN THR GLU ILE SER PHE SEQRES 6 A 133 LYS LEU GLY VAL GLU PHE ASP GLU THR THR ALA ASP ASP SEQRES 7 A 133 ARG LYS VAL LYS SER ILE VAL THR LEU ASP GLY GLY LYS SEQRES 8 A 133 LEU VAL HIS LEU GLN LYS TRP ASP GLY GLN GLU THR THR SEQRES 9 A 133 LEU VAL ARG GLU LEU ILE ASP GLY LYS LEU ILE LEU THR SEQRES 10 A 133 LEU THR HIS GLY THR ALA VAL CYS THR ARG THR TYR GLU SEQRES 11 A 133 LYS GLU ALA HET DAO A 327 37 ATOM 1 N MET A 0 -12.736 -3.769 9.904 1.00 30.52 N ATOM 2 CA MET A 0 -12.309 -3.900 11.267 1.00 30.97 C ATOM 3 C MET A 0 -11.628 -2.609 11.855 1.00 18.77 C ATOM 4 O MET A 0 -10.435 -2.368 11.755 1.00 22.20 O ATOM 5 CB MET A 0 -11.425 -5.108 11.446 1.00 45.00 C ATOM 6 CG MET A 0 -11.841 -5.973 12.670 1.00 52.84 C ATOM 7 SD MET A 0 -11.392 -5.319 14.347 1.00 48.23 S ATOM 8 CE MET A 0 -9.733 -5.999 14.385 1.00 61.80 C ATOM 9 HN3 MET A 0 -11.914 -3.556 9.303 1.00 0.00 H ATOM 10 HN2 MET A 0 -13.429 -2.997 9.832 1.00 0.00 H ATOM 11 HN1 MET A 0 -13.173 -4.660 9.592 1.00 0.00 H ATOM 12 N VAL A 1 -12.424 -1.787 12.473 1.00 17.55 N ATOM 13 CA VAL A 1 -11.958 -0.480 12.997 1.00 14.10 C ATOM 14 C VAL A 1 -11.564 -0.576 14.468 1.00 9.60 C ATOM 15 O VAL A 1 -11.204 0.419 15.058 1.00 11.38 O ATOM 16 CB VAL A 1 -13.136 0.556 12.744 1.00 16.26 C ATOM 17 CG1 VAL A 1 -14.245 0.258 13.691 1.00 12.74 C ATOM 18 CG2 VAL A 1 -12.745 2.011 12.935 1.00 17.41 C ATOM 19 H VAL A 1 -13.420 -2.055 12.604 1.00 0.00 H ATOM 20 N ASP A 2 -11.713 -1.751 15.079 1.00 10.02 N ATOM 21 CA ASP A 2 -11.817 -1.850 16.527 1.00 10.39 C ATOM 22 C ASP A 2 -10.580 -1.401 17.265 1.00 8.97 C ATOM 23 O ASP A 2 -10.729 -0.864 18.323 1.00 9.52 O ATOM 24 CB ASP A 2 -12.302 -3.191 17.009 1.00 11.03 C ATOM 25 CG ASP A 2 -13.676 -3.481 16.519 1.00 11.54 C ATOM 26 OD1 ASP A 2 -14.690 -3.003 17.144 1.00 9.71 O ATOM 27 OD2 ASP A 2 -13.712 -4.126 15.496 1.00 16.29 O ATOM 28 H ASP A 2 -11.756 -2.618 14.507 1.00 0.00 H ATOM 29 N ALA A 3 -9.426 -1.582 16.614 1.00 11.24 N ATOM 30 CA ALA A 3 -8.119 -1.185 17.193 1.00 12.32 C ATOM 31 C ALA A 3 -7.945 0.320 17.368 1.00 10.05 C ATOM 32 O ALA A 3 -7.090 0.824 18.053 1.00 11.46 O ATOM 33 CB ALA A 3 -7.009 -1.791 16.367 1.00 14.34 C ATOM 34 H ALA A 3 -9.445 -2.016 15.669 1.00 0.00 H ATOM 35 N PHE A 4 -8.788 1.070 16.710 1.00 7.35 N ATOM 36 CA PHE A 4 -8.778 2.534 16.780 1.00 7.04 C ATOM 37 C PHE A 4 -9.682 3.090 17.876 1.00 6.75 C ATOM 38 O PHE A 4 -9.603 4.286 18.184 1.00 7.23 O ATOM 39 CB PHE A 4 -9.219 3.144 15.451 1.00 7.85 C ATOM 40 CG PHE A 4 -8.231 2.911 14.328 1.00 8.03 C ATOM 41 CD1 PHE A 4 -7.145 3.757 14.198 1.00 9.06 C ATOM 42 CD2 PHE A 4 -8.394 1.893 13.415 1.00 8.71 C ATOM 43 CE1 PHE A 4 -6.224 3.550 13.170 1.00 10.17 C ATOM 44 CE2 PHE A 4 -7.455 1.696 12.396 1.00 9.48 C ATOM 45 CZ PHE A 4 -6.370 2.542 12.281 1.00 9.12 C ATOM 46 H PHE A 4 -9.499 0.607 16.109 1.00 0.00 H ATOM 47 N LEU A 5 -10.604 2.278 18.389 1.00 6.64 N ATOM 48 CA LEU A 5 -11.631 2.820 19.278 1.00 6.21 C ATOM 49 C LEU A 5 -11.046 3.151 20.630 1.00 6.93 C ATOM 50 O LEU A 5 -10.190 2.419 21.146 1.00 12.10 O ATOM 51 CB LEU A 5 -12.766 1.809 19.439 1.00 6.88 C ATOM 52 CG LEU A 5 -13.427 1.370 18.116 1.00 7.31 C ATOM 53 CD1 LEU A 5 -14.481 0.349 18.400 1.00 11.73 C ATOM 54 CD2 LEU A 5 -13.977 2.588 17.336 1.00 10.04 C ATOM 55 H LEU A 5 -10.594 1.264 18.159 1.00 0.00 H ATOM 56 N GLY A 6 -11.533 4.228 21.217 1.00 6.09 N ATOM 57 CA GLY A 6 -11.166 4.619 22.569 1.00 7.62 C ATOM 58 C GLY A 6 -10.830 6.070 22.629 1.00 5.71 C ATOM 59 O GLY A 6 -11.156 6.869 21.747 1.00 6.00 O ATOM 60 H GLY A 6 -12.207 4.821 20.692 1.00 0.00 H ATOM 61 N THR A 7 -10.182 6.440 23.756 1.00 6.37 N ATOM 62 CA THR A 7 -9.807 7.805 24.048 1.00 6.25 C ATOM 63 C THR A 7 -8.288 7.916 23.927 1.00 6.53 C ATOM 64 O THR A 7 -7.559 7.101 24.496 1.00 8.44 O ATOM 65 CB THR A 7 -10.272 8.176 25.472 1.00 7.39 C ATOM 66 OG1 THR A 7 -11.696 8.104 25.511 1.00 8.95 O ATOM 67 CG2 THR A 7 -9.888 9.603 25.861 1.00 8.42 C ATOM 68 HG1 THR A 7 -12.012 8.339 26.419 1.00 0.00 H ATOM 69 H THR A 7 -9.940 5.704 24.450 1.00 0.00 H ATOM 70 N TRP A 8 -7.858 8.939 23.203 1.00 6.10 N ATOM 71 CA TRP A 8 -6.461 9.115 22.813 1.00 6.07 C ATOM 72 C TRP A 8 -6.023 10.538 23.136 1.00 5.75 C ATOM 73 O TRP A 8 -6.785 11.478 22.949 1.00 6.98 O ATOM 74 CB TRP A 8 -6.359 8.911 21.291 1.00 6.71 C ATOM 75 CG TRP A 8 -6.763 7.544 20.799 1.00 6.53 C ATOM 76 CD1 TRP A 8 -7.998 7.175 20.387 1.00 7.21 C ATOM 77 CD2 TRP A 8 -5.905 6.418 20.660 1.00 6.79 C ATOM 78 NE1 TRP A 8 -7.975 5.855 19.990 1.00 8.45 N ATOM 79 CE2 TRP A 8 -6.696 5.391 20.126 1.00 7.58 C ATOM 80 CE3 TRP A 8 -4.548 6.193 20.889 1.00 7.54 C ATOM 81 CZ2 TRP A 8 -6.159 4.131 19.823 1.00 9.55 C ATOM 82 CZ3 TRP A 8 -4.008 4.976 20.609 1.00 8.82 C ATOM 83 CH2 TRP A 8 -4.791 3.953 20.097 1.00 9.87 C ATOM 84 HE1 TRP A 8 -8.789 5.307 19.647 1.00 0.00 H ATOM 85 H TRP A 8 -8.550 9.653 22.897 1.00 0.00 H ATOM 86 N LYS A 9 -4.778 10.693 23.576 1.00 5.89 N ATOM 87 CA LYS A 9 -4.254 11.990 23.967 1.00 6.12 C ATOM 88 C LYS A 9 -3.036 12.337 23.120 1.00 5.37 C ATOM 89 O LYS A 9 -2.158 11.487 22.908 1.00 6.20 O ATOM 90 CB LYS A 9 -3.780 11.970 25.463 1.00 9.46 C ATOM 91 CG LYS A 9 -4.696 11.290 26.460 1.00 12.57 C ATOM 92 CD LYS A 9 -5.974 11.997 26.459 1.00 23.16 C ATOM 93 CE LYS A 9 -5.937 12.866 27.678 1.00 19.02 C ATOM 94 NZ LYS A 9 -7.300 13.272 27.940 1.00 10.67 N ATOM 95 HZ1 LYS A 9 -7.667 13.798 27.121 1.00 0.00 H ATOM 96 HZ2 LYS A 9 -7.886 12.429 28.104 1.00 0.00 H ATOM 97 HZ3 LYS A 9 -7.323 13.881 28.783 1.00 0.00 H ATOM 98 H LYS A 9 -4.160 9.859 23.642 1.00 0.00 H ATOM 99 N LEU A 10 -2.941 13.594 22.665 1.00 5.90 N ATOM 100 CA LEU A 10 -1.801 13.990 21.844 1.00 5.58 C ATOM 101 C LEU A 10 -0.519 13.996 22.690 1.00 5.73 C ATOM 102 O LEU A 10 -0.479 14.648 23.733 1.00 7.09 O ATOM 103 CB LEU A 10 -2.028 15.393 21.297 1.00 5.88 C ATOM 104 CG LEU A 10 -0.927 15.861 20.327 1.00 5.33 C ATOM 105 CD1 LEU A 10 -1.074 15.192 18.959 1.00 5.95 C ATOM 106 CD2 LEU A 10 -0.944 17.372 20.162 1.00 6.02 C ATOM 107 H LEU A 10 -3.680 14.288 22.897 1.00 0.00 H ATOM 108 N VAL A 11 0.534 13.375 22.142 1.00 5.35 N ATOM 109 CA VAL A 11 1.809 13.347 22.872 1.00 5.45 C ATOM 110 C VAL A 11 2.985 13.770 22.015 1.00 4.66 C ATOM 111 O VAL A 11 4.097 13.806 22.523 1.00 5.52 O ATOM 112 CB VAL A 11 2.060 11.973 23.509 1.00 5.99 C ATOM 113 CG1 VAL A 11 0.988 11.621 24.550 1.00 7.11 C ATOM 114 CG2 VAL A 11 2.142 10.853 22.477 1.00 6.63 C ATOM 115 H VAL A 11 0.450 12.918 21.211 1.00 0.00 H ATOM 116 N ASP A 12 2.794 14.135 20.763 1.00 3.75 N ATOM 117 CA ASP A 12 3.891 14.559 19.887 1.00 4.66 C ATOM 118 C ASP A 12 3.220 15.092 18.623 1.00 5.12 C ATOM 119 O ASP A 12 2.242 14.537 18.135 1.00 4.38 O ATOM 120 CB ASP A 12 4.779 13.403 19.421 1.00 5.50 C ATOM 121 CG ASP A 12 6.013 13.886 18.657 1.00 7.14 C ATOM 122 OD1 ASP A 12 6.836 14.526 19.326 1.00 10.06 O ATOM 123 OD2 ASP A 12 6.088 13.613 17.420 1.00 6.26 O ATOM 124 H ASP A 12 1.827 14.122 20.381 1.00 0.00 H ATOM 125 N SER A 13 3.856 16.161 18.120 1.00 4.80 N ATOM 126 CA SER A 13 3.337 16.789 16.903 1.00 4.35 C ATOM 127 C SER A 13 4.528 17.352 16.124 1.00 4.29 C ATOM 128 O SER A 13 5.390 18.007 16.682 1.00 4.40 O ATOM 129 CB SER A 13 2.385 17.912 17.303 1.00 4.54 C ATOM 130 OG SER A 13 1.759 18.426 16.109 1.00 4.79 O ATOM 131 HG SER A 13 2.455 18.773 15.496 1.00 0.00 H ATOM 132 H SER A 13 4.705 16.538 18.587 1.00 0.00 H ATOM 133 N LYS A 14 4.489 17.078 14.804 1.00 4.58 N ATOM 134 CA LYS A 14 5.504 17.531 13.869 1.00 4.58 C ATOM 135 C LYS A 14 4.811 18.201 12.685 1.00 4.61 C ATOM 136 O LYS A 14 3.953 17.600 12.038 1.00 5.15 O ATOM 137 CB LYS A 14 6.350 16.357 13.371 1.00 5.13 C ATOM 138 CG LYS A 14 7.114 15.680 14.508 1.00 5.89 C ATOM 139 CD LYS A 14 7.958 14.505 13.974 1.00 7.57 C ATOM 140 CE LYS A 14 8.896 13.940 15.019 1.00 8.19 C ATOM 141 NZ LYS A 14 8.215 13.076 15.939 1.00 8.69 N ATOM 142 HZ1 LYS A 14 7.468 13.611 16.427 1.00 0.00 H ATOM 143 HZ2 LYS A 14 7.791 12.282 15.418 1.00 0.00 H ATOM 144 HZ3 LYS A 14 8.894 12.711 16.637 1.00 0.00 H ATOM 145 H LYS A 14 3.694 16.516 14.438 1.00 0.00 H ATOM 146 N ASN A 15 5.221 19.441 12.411 1.00 4.43 N ATOM 147 CA ASN A 15 4.792 20.172 11.216 1.00 4.75 C ATOM 148 C ASN A 15 3.312 20.562 11.215 1.00 4.64 C ATOM 149 O ASN A 15 2.752 20.875 10.155 1.00 5.21 O ATOM 150 CB ASN A 15 5.127 19.478 9.908 1.00 5.27 C ATOM 151 CG ASN A 15 6.568 19.308 9.632 1.00 5.73 C ATOM 152 OD1 ASN A 15 7.457 19.882 10.291 1.00 5.78 O ATOM 153 ND2 ASN A 15 6.832 18.493 8.611 1.00 8.68 N ATOM 154 HD22 ASN A 15 6.053 18.039 8.093 1.00 0.00 H ATOM 155 HD21 ASN A 15 7.817 18.311 8.332 1.00 0.00 H ATOM 156 H ASN A 15 5.872 19.908 13.074 1.00 0.00 H ATOM 157 N PHE A 16 2.668 20.637 12.392 1.00 4.61 N ATOM 158 CA PHE A 16 1.280 21.064 12.399 1.00 4.63 C ATOM 159 C PHE A 16 1.130 22.510 11.949 1.00 4.86 C ATOM 160 O PHE A 16 0.145 22.856 11.280 1.00 5.11 O ATOM 161 CB PHE A 16 0.647 20.812 13.767 1.00 5.04 C ATOM 162 CG PHE A 16 -0.853 20.969 13.829 1.00 5.13 C ATOM 163 CD1 PHE A 16 -1.712 20.427 12.878 1.00 5.76 C ATOM 164 CD2 PHE A 16 -1.414 21.588 14.940 1.00 6.02 C ATOM 165 CE1 PHE A 16 -3.079 20.494 13.020 1.00 6.27 C ATOM 166 CE2 PHE A 16 -2.789 21.657 15.076 1.00 6.69 C ATOM 167 CZ PHE A 16 -3.628 21.122 14.133 1.00 6.69 C ATOM 168 H PHE A 16 3.153 20.394 13.279 1.00 0.00 H ATOM 169 N ASP A 17 2.082 23.374 12.314 1.00 5.10 N ATOM 170 CA ASP A 17 1.989 24.748 11.827 1.00 5.41 C ATOM 171 C ASP A 17 2.044 24.790 10.303 1.00 5.46 C ATOM 172 O ASP A 17 1.277 25.522 9.669 1.00 6.09 O ATOM 173 CB ASP A 17 3.084 25.621 12.445 1.00 6.21 C ATOM 174 CG ASP A 17 2.945 27.052 11.955 1.00 6.63 C ATOM 175 OD1 ASP A 17 2.000 27.720 12.425 1.00 7.30 O ATOM 176 OD2 ASP A 17 3.765 27.476 11.123 1.00 8.92 O ATOM 177 H ASP A 17 2.867 23.076 12.928 1.00 0.00 H ATOM 178 N ASP A 18 2.948 24.019 9.696 1.00 5.42 N ATOM 179 CA ASP A 18 3.013 24.021 8.232 1.00 5.87 C ATOM 180 C ASP A 18 1.641 23.603 7.668 1.00 5.33 C ATOM 181 O ASP A 18 1.176 24.232 6.701 1.00 5.27 O ATOM 182 CB ASP A 18 4.047 22.996 7.730 1.00 7.05 C ATOM 183 CG ASP A 18 5.458 23.262 8.001 1.00 9.47 C ATOM 184 OD1 ASP A 18 5.779 24.472 8.211 1.00 10.84 O ATOM 185 OD2 ASP A 18 6.275 22.280 7.895 1.00 10.35 O ATOM 186 H ASP A 18 3.596 23.426 10.253 1.00 0.00 H ATOM 187 N TYR A 19 1.038 22.557 8.217 1.00 5.38 N ATOM 188 CA TYR A 19 -0.243 22.068 7.725 1.00 5.41 C ATOM 189 C TYR A 19 -1.331 23.143 7.855 1.00 5.08 C ATOM 190 O TYR A 19 -2.060 23.438 6.902 1.00 5.50 O ATOM 191 CB TYR A 19 -0.599 20.791 8.476 1.00 5.26 C ATOM 192 CG TYR A 19 -1.927 20.197 8.081 1.00 4.97 C ATOM 193 CD1 TYR A 19 -2.071 19.514 6.877 1.00 4.91 C ATOM 194 CD2 TYR A 19 -3.050 20.344 8.879 1.00 5.46 C ATOM 195 CE1 TYR A 19 -3.286 18.985 6.490 1.00 4.88 C ATOM 196 CE2 TYR A 19 -4.270 19.812 8.517 1.00 5.47 C ATOM 197 CZ TYR A 19 -4.396 19.139 7.307 1.00 5.09 C ATOM 198 OH TYR A 19 -5.623 18.617 6.971 1.00 5.61 O ATOM 199 HH TYR A 19 -5.560 18.170 6.090 1.00 0.00 H ATOM 200 H TYR A 19 1.491 22.074 9.019 1.00 0.00 H ATOM 201 N MET A 20 -1.435 23.726 9.053 1.00 5.34 N ATOM 202 CA MET A 20 -2.424 24.785 9.258 1.00 5.64 C ATOM 203 C MET A 20 -2.187 25.962 8.312 1.00 6.11 C ATOM 204 O MET A 20 -3.134 26.540 7.774 1.00 6.64 O ATOM 205 CB MET A 20 -2.399 25.265 10.710 1.00 5.70 C ATOM 206 CG MET A 20 -2.917 24.252 11.723 1.00 5.87 C ATOM 207 SD MET A 20 -3.049 24.951 13.377 1.00 6.16 S ATOM 208 CE MET A 20 -1.295 25.030 13.833 1.00 6.70 C ATOM 209 H MET A 20 -0.817 23.429 9.835 1.00 0.00 H ATOM 210 N LYS A 21 -0.926 26.367 8.161 1.00 6.09 N ATOM 211 CA LYS A 21 -0.625 27.492 7.291 1.00 6.72 C ATOM 212 C LYS A 21 -1.057 27.166 5.862 1.00 6.61 C ATOM 213 O LYS A 21 -1.602 28.056 5.149 1.00 7.25 O ATOM 214 CB LYS A 21 0.858 27.831 7.391 1.00 7.65 C ATOM 215 CG LYS A 21 1.215 29.127 6.795 1.00 9.75 C ATOM 216 CD LYS A 21 2.665 29.455 6.968 1.00 14.10 C ATOM 217 CE LYS A 21 3.045 30.777 6.262 1.00 17.81 C ATOM 218 NZ LYS A 21 4.568 30.860 6.205 1.00 21.76 N ATOM 219 HZ1 LYS A 21 4.951 30.845 7.172 1.00 0.00 H ATOM 220 HZ2 LYS A 21 4.939 30.048 5.672 1.00 0.00 H ATOM 221 HZ3 LYS A 21 4.848 31.743 5.733 1.00 0.00 H ATOM 222 H LYS A 21 -0.158 25.879 8.665 1.00 0.00 H ATOM 223 N SER A 22 -0.801 25.949 5.388 1.00 6.18 N ATOM 224 CA SER A 22 -1.194 25.546 4.040 1.00 6.47 C ATOM 225 C SER A 22 -2.709 25.661 3.827 1.00 6.61 C ATOM 226 O SER A 22 -3.159 26.027 2.741 1.00 7.28 O ATOM 227 CB SER A 22 -0.693 24.122 3.814 1.00 6.18 C ATOM 228 OG SER A 22 -0.894 23.738 2.471 1.00 6.29 O ATOM 229 HG SER A 22 -0.398 24.354 1.875 1.00 0.00 H ATOM 230 H SER A 22 -0.307 25.265 5.995 1.00 0.00 H ATOM 231 N LEU A 23 -3.495 25.283 4.827 1.00 6.21 N ATOM 232 CA LEU A 23 -4.915 25.495 4.831 1.00 7.27 C ATOM 233 C LEU A 23 -5.375 26.955 4.953 1.00 8.08 C ATOM 234 O LEU A 23 -6.584 27.135 4.784 1.00 10.05 O ATOM 235 CB LEU A 23 -5.557 24.750 6.023 1.00 7.21 C ATOM 236 CG LEU A 23 -5.503 23.224 5.839 1.00 6.61 C ATOM 237 CD1 LEU A 23 -6.008 22.570 7.110 1.00 6.71 C ATOM 238 CD2 LEU A 23 -6.320 22.782 4.612 1.00 7.91 C ATOM 239 H LEU A 23 -3.062 24.811 5.646 1.00 0.00 H ATOM 240 N GLY A 24 -4.503 27.918 5.232 1.00 8.59 N ATOM 241 CA GLY A 24 -4.882 29.317 5.382 1.00 10.32 C ATOM 242 C GLY A 24 -5.327 29.702 6.778 1.00 9.22 C ATOM 243 O GLY A 24 -5.953 30.757 6.928 1.00 11.12 O ATOM 244 H GLY A 24 -3.502 27.661 5.349 1.00 0.00 H ATOM 245 N VAL A 25 -4.973 28.894 7.772 1.00 7.77 N ATOM 246 CA VAL A 25 -5.308 29.247 9.153 1.00 7.41 C ATOM 247 C VAL A 25 -4.480 30.453 9.610 1.00 7.93 C ATOM 248 O VAL A 25 -3.264 30.520 9.482 1.00 7.96 O ATOM 249 CB VAL A 25 -5.064 28.002 10.021 1.00 6.97 C ATOM 250 CG1 VAL A 25 -5.362 28.306 11.503 1.00 6.32 C ATOM 251 CG2 VAL A 25 -5.862 26.806 9.526 1.00 6.53 C ATOM 252 H VAL A 25 -4.459 28.013 7.569 1.00 0.00 H ATOM 253 N GLY A 26 -5.139 31.456 10.219 1.00 9.40 N ATOM 254 CA GLY A 26 -4.479 32.657 10.629 1.00 10.53 C ATOM 255 C GLY A 26 -3.491 32.446 11.767 1.00 9.60 C ATOM 256 O GLY A 26 -3.565 31.513 12.538 1.00 9.26 O ATOM 257 H GLY A 26 -6.159 31.355 10.397 1.00 0.00 H ATOM 258 N PHE A 27 -2.518 33.401 11.870 1.00 10.17 N ATOM 259 CA PHE A 27 -1.410 33.188 12.778 1.00 10.28 C ATOM 260 C PHE A 27 -1.816 33.012 14.218 1.00 9.58 C ATOM 261 O PHE A 27 -1.175 32.260 14.938 1.00 9.09 O ATOM 262 CB PHE A 27 -0.358 34.319 12.666 1.00 12.32 C ATOM 263 CG PHE A 27 -0.797 35.632 13.309 1.00 14.74 C ATOM 264 CD1 PHE A 27 -1.606 36.522 12.679 1.00 17.72 C ATOM 265 CD2 PHE A 27 -0.474 35.863 14.627 1.00 18.05 C ATOM 266 CE1 PHE A 27 -2.096 37.684 13.360 1.00 22.05 C ATOM 267 CE2 PHE A 27 -0.896 36.987 15.300 1.00 22.35 C ATOM 268 CZ PHE A 27 -1.691 37.913 14.662 1.00 23.58 C ATOM 269 H PHE A 27 -2.573 34.271 11.303 1.00 0.00 H ATOM 270 N ALA A 28 -2.838 33.749 14.677 1.00 11.01 N ATOM 271 CA ALA A 28 -3.207 33.681 16.096 1.00 11.28 C ATOM 272 C ALA A 28 -3.800 32.333 16.423 1.00 10.70 C ATOM 273 O ALA A 28 -3.556 31.754 17.485 1.00 11.03 O ATOM 274 CB ALA A 28 -4.173 34.805 16.441 1.00 16.06 C ATOM 275 H ALA A 28 -3.368 34.367 14.029 1.00 0.00 H ATOM 276 N THR A 29 -4.618 31.807 15.514 1.00 10.10 N ATOM 277 CA THR A 29 -5.157 30.462 15.689 1.00 9.84 C ATOM 278 C THR A 29 -4.065 29.413 15.654 1.00 8.43 C ATOM 279 O THR A 29 -4.060 28.499 16.464 1.00 8.80 O ATOM 280 CB THR A 29 -6.258 30.212 14.612 1.00 10.03 C ATOM 281 OG1 THR A 29 -7.322 31.096 14.864 1.00 13.50 O ATOM 282 CG2 THR A 29 -6.783 28.802 14.657 1.00 10.99 C ATOM 283 HG1 THR A 29 -6.995 32.029 14.809 1.00 0.00 H ATOM 284 H THR A 29 -4.875 32.360 14.671 1.00 0.00 H ATOM 285 N ARG A 30 -3.099 29.540 14.728 1.00 7.96 N ATOM 286 CA ARG A 30 -2.033 28.545 14.708 1.00 7.34 C ATOM 287 C ARG A 30 -1.256 28.603 16.010 1.00 7.99 C ATOM 288 O ARG A 30 -0.786 27.597 16.546 1.00 7.65 O ATOM 289 CB ARG A 30 -1.052 28.851 13.542 1.00 6.33 C ATOM 290 CG ARG A 30 -1.726 28.737 12.180 1.00 5.93 C ATOM 291 CD ARG A 30 -0.740 28.583 11.010 1.00 6.32 C ATOM 292 NE ARG A 30 0.410 29.479 11.043 1.00 7.12 N ATOM 293 CZ ARG A 30 0.436 30.691 10.493 1.00 9.41 C ATOM 294 NH1 ARG A 30 -0.627 31.224 9.923 1.00 10.87 N ATOM 295 NH2 ARG A 30 1.586 31.390 10.564 1.00 11.60 N ATOM 296 HE ARG A 30 1.268 29.149 11.529 1.00 0.00 H ATOM 297 HH12 ARG A 30 -0.571 32.174 9.503 1.00 0.00 H ATOM 298 HH11 ARG A 30 -1.522 30.695 9.893 1.00 0.00 H ATOM 299 HH22 ARG A 30 1.644 32.340 10.145 1.00 0.00 H ATOM 300 HH21 ARG A 30 2.416 30.979 11.037 1.00 0.00 H ATOM 301 H ARG A 30 -3.111 30.325 14.046 1.00 0.00 H ATOM 302 N GLN A 31 -1.059 29.818 16.486 1.00 7.38 N ATOM 303 CA GLN A 31 -0.297 30.009 17.693 1.00 8.23 C ATOM 304 C GLN A 31 -0.970 29.256 18.870 1.00 8.62 C ATOM 305 O GLN A 31 -0.243 28.554 19.600 1.00 7.94 O ATOM 306 CB GLN A 31 -0.158 31.492 17.951 1.00 7.96 C ATOM 307 CG GLN A 31 0.750 31.792 19.160 1.00 7.62 C ATOM 308 CD GLN A 31 0.572 33.246 19.533 1.00 10.44 C ATOM 309 OE1 GLN A 31 0.169 33.540 20.651 1.00 15.74 O ATOM 310 NE2 GLN A 31 0.881 34.157 18.580 1.00 10.78 N ATOM 311 HE22 GLN A 31 1.219 33.841 17.649 1.00 0.00 H ATOM 312 HE21 GLN A 31 0.780 35.173 18.779 1.00 0.00 H ATOM 313 H GLN A 31 -1.455 30.640 15.988 1.00 0.00 H ATOM 314 N VAL A 32 -2.267 29.367 19.121 1.00 8.51 N ATOM 315 CA VAL A 32 -2.964 28.647 20.170 1.00 8.97 C ATOM 316 C VAL A 32 -2.942 27.139 19.894 1.00 8.48 C ATOM 317 O VAL A 32 -2.670 26.311 20.780 1.00 9.09 O ATOM 318 CB VAL A 32 -4.376 29.171 20.357 1.00 11.07 C ATOM 319 CG1 VAL A 32 -5.093 28.384 21.413 1.00 13.23 C ATOM 320 CG2 VAL A 32 -4.373 30.690 20.731 1.00 13.36 C ATOM 321 H VAL A 32 -2.822 30.014 18.526 1.00 0.00 H ATOM 322 N ALA A 33 -3.242 26.762 18.641 1.00 8.20 N ATOM 323 CA ALA A 33 -3.284 25.335 18.302 1.00 8.45 C ATOM 324 C ALA A 33 -1.954 24.656 18.471 1.00 8.53 C ATOM 325 O ALA A 33 -1.910 23.451 18.836 1.00 11.68 O ATOM 326 CB ALA A 33 -3.824 25.190 16.872 1.00 11.17 C ATOM 327 H ALA A 33 -3.444 27.478 17.914 1.00 0.00 H ATOM 328 N SER A 34 -0.843 25.349 18.331 1.00 7.89 N ATOM 329 CA SER A 34 0.473 24.760 18.471 1.00 8.36 C ATOM 330 C SER A 34 0.781 24.369 19.920 1.00 8.31 C ATOM 331 O SER A 34 1.724 23.593 20.152 1.00 9.60 O ATOM 332 CB SER A 34 1.559 25.668 17.967 1.00 8.65 C ATOM 333 OG SER A 34 1.767 26.777 18.825 1.00 8.41 O ATOM 334 HG SER A 34 0.931 27.303 18.892 1.00 0.00 H ATOM 335 H SER A 34 -0.913 26.363 18.110 1.00 0.00 H ATOM 336 N MET A 35 0.001 24.890 20.874 1.00 7.54 N ATOM 337 CA MET A 35 0.189 24.602 22.290 1.00 8.01 C ATOM 338 C MET A 35 -0.960 23.807 22.896 1.00 8.33 C ATOM 339 O MET A 35 -1.009 23.637 24.137 1.00 11.53 O ATOM 340 CB MET A 35 0.351 25.884 23.081 1.00 8.37 C ATOM 341 CG MET A 35 1.648 26.601 22.758 1.00 8.97 C ATOM 342 SD MET A 35 3.145 25.689 23.216 1.00 8.19 S ATOM 343 CE MET A 35 3.134 25.915 24.982 1.00 9.57 C ATOM 344 H MET A 35 -0.772 25.527 20.593 1.00 0.00 H ATOM 345 N THR A 36 -1.908 23.402 22.116 1.00 7.89 N ATOM 346 CA THR A 36 -3.033 22.614 22.568 1.00 7.54 C ATOM 347 C THR A 36 -2.697 21.111 22.350 1.00 7.52 C ATOM 348 O THR A 36 -2.046 20.704 21.343 1.00 9.03 O ATOM 349 CB THR A 36 -4.195 23.146 21.710 1.00 9.30 C ATOM 350 OG1 THR A 36 -4.324 24.584 21.951 1.00 10.39 O ATOM 351 CG2 THR A 36 -5.445 22.444 22.052 1.00 11.04 C ATOM 352 HG1 THR A 36 -3.480 25.037 21.699 1.00 0.00 H ATOM 353 H THR A 36 -1.859 23.657 21.109 1.00 0.00 H ATOM 354 N LYS A 37 -3.205 20.279 23.285 1.00 8.54 N ATOM 355 CA LYS A 37 -3.038 18.829 23.178 1.00 8.25 C ATOM 356 C LYS A 37 -4.447 18.203 23.204 1.00 8.24 C ATOM 357 O LYS A 37 -4.947 17.893 24.277 1.00 10.87 O ATOM 358 CB LYS A 37 -2.192 18.281 24.329 1.00 9.14 C ATOM 359 CG LYS A 37 -0.784 18.857 24.283 1.00 8.43 C ATOM 360 CD LYS A 37 0.073 18.265 25.364 1.00 8.58 C ATOM 361 CE LYS A 37 1.410 18.968 25.440 1.00 8.44 C ATOM 362 NZ LYS A 37 2.265 18.388 26.475 1.00 8.10 N ATOM 363 HZ1 LYS A 37 1.795 18.474 27.399 1.00 0.00 H ATOM 364 HZ2 LYS A 37 2.433 17.384 26.262 1.00 0.00 H ATOM 365 HZ3 LYS A 37 3.173 18.895 26.498 1.00 0.00 H ATOM 366 H LYS A 37 -3.724 20.676 24.095 1.00 0.00 H ATOM 367 N PRO A 38 -5.045 18.001 22.076 1.00 7.21 N ATOM 368 CA PRO A 38 -6.383 17.490 22.090 1.00 7.12 C ATOM 369 C PRO A 38 -6.470 16.050 22.592 1.00 6.31 C ATOM 370 O PRO A 38 -5.531 15.274 22.572 1.00 7.42 O ATOM 371 CB PRO A 38 -6.799 17.576 20.601 1.00 8.44 C ATOM 372 CG PRO A 38 -5.876 18.591 19.969 1.00 9.74 C ATOM 373 CD PRO A 38 -4.591 18.340 20.711 1.00 8.45 C ATOM 374 N THR A 39 -7.717 15.743 22.969 1.00 5.76 N ATOM 375 CA THR A 39 -8.157 14.390 23.206 1.00 5.98 C ATOM 376 C THR A 39 -9.055 13.983 22.044 1.00 5.91 C ATOM 377 O THR A 39 -9.996 14.696 21.733 1.00 7.42 O ATOM 378 CB THR A 39 -8.920 14.308 24.524 1.00 7.43 C ATOM 379 OG1 THR A 39 -8.036 14.657 25.603 1.00 9.16 O ATOM 380 CG2 THR A 39 -9.474 12.933 24.788 1.00 8.88 C ATOM 381 HG1 THR A 39 -7.701 15.579 25.469 1.00 0.00 H ATOM 382 H THR A 39 -8.401 16.516 23.097 1.00 0.00 H ATOM 383 N THR A 40 -8.737 12.839 21.438 1.00 5.38 N ATOM 384 CA THR A 40 -9.559 12.285 20.368 1.00 5.11 C ATOM 385 C THR A 40 -10.296 11.068 20.925 1.00 4.86 C ATOM 386 O THR A 40 -9.668 10.179 21.529 1.00 5.56 O ATOM 387 CB THR A 40 -8.655 11.881 19.167 1.00 5.63 C ATOM 388 OG1 THR A 40 -8.045 13.091 18.700 1.00 6.01 O ATOM 389 CG2 THR A 40 -9.465 11.280 18.041 1.00 7.23 C ATOM 390 HG1 THR A 40 -7.456 12.887 17.931 1.00 0.00 H ATOM 391 H THR A 40 -7.881 12.329 21.736 1.00 0.00 H ATOM 392 N ILE A 41 -11.602 11.012 20.718 1.00 5.20 N ATOM 393 CA ILE A 41 -12.425 9.882 21.169 1.00 5.36 C ATOM 394 C ILE A 41 -13.067 9.287 19.936 1.00 5.36 C ATOM 395 O ILE A 41 -13.735 9.980 19.182 1.00 6.52 O ATOM 396 CB ILE A 41 -13.487 10.352 22.182 1.00 6.27 C ATOM 397 CG1 ILE A 41 -12.875 11.104 23.337 1.00 8.02 C ATOM 398 CG2 ILE A 41 -14.305 9.135 22.643 1.00 9.42 C ATOM 399 CD1 ILE A 41 -13.883 11.866 24.154 1.00 12.36 C ATOM 400 H ILE A 41 -12.063 11.798 20.217 1.00 0.00 H ATOM 401 N ILE A 42 -12.847 7.977 19.731 1.00 5.58 N ATOM 402 CA ILE A 42 -13.408 7.285 18.574 1.00 5.63 C ATOM 403 C ILE A 42 -14.294 6.182 19.133 1.00 5.65 C ATOM 404 O ILE A 42 -13.825 5.318 19.908 1.00 5.93 O ATOM 405 CB ILE A 42 -12.319 6.721 17.645 1.00 6.37 C ATOM 406 CG1 ILE A 42 -11.277 7.815 17.331 1.00 7.79 C ATOM 407 CG2 ILE A 42 -12.977 6.172 16.390 1.00 9.00 C ATOM 408 CD1 ILE A 42 -10.164 7.336 16.402 1.00 8.45 C ATOM 409 H ILE A 42 -12.266 7.446 20.410 1.00 0.00 H ATOM 410 N GLU A 43 -15.571 6.209 18.780 1.00 6.28 N ATOM 411 CA GLU A 43 -16.556 5.234 19.281 1.00 5.45 C ATOM 412 C GLU A 43 -17.349 4.718 18.082 1.00 5.40 C ATOM 413 O GLU A 43 -17.465 5.349 17.050 1.00 6.59 O ATOM 414 CB GLU A 43 -17.505 5.902 20.293 1.00 9.48 C ATOM 415 CG GLU A 43 -16.770 6.149 21.671 1.00 8.46 C ATOM 416 CD GLU A 43 -17.573 6.882 22.662 1.00 8.64 C ATOM 417 OE1 GLU A 43 -17.744 8.051 22.434 1.00 9.77 O ATOM 418 OE2 GLU A 43 -17.906 6.242 23.702 1.00 14.27 O ATOM 419 H GLU A 43 -15.891 6.948 18.123 1.00 0.00 H ATOM 420 N LYS A 44 -17.895 3.489 18.240 1.00 5.89 N ATOM 421 CA LYS A 44 -18.756 2.923 17.248 1.00 7.29 C ATOM 422 C LYS A 44 -20.062 2.464 17.869 1.00 6.60 C ATOM 423 O LYS A 44 -20.077 2.044 19.033 1.00 6.96 O ATOM 424 CB LYS A 44 -18.313 1.743 16.418 1.00 8.34 C ATOM 425 CG LYS A 44 -18.270 0.443 17.111 1.00 7.59 C ATOM 426 CD LYS A 44 -17.622 -0.683 16.325 1.00 9.40 C ATOM 427 CE LYS A 44 -17.757 -2.014 17.022 1.00 12.31 C ATOM 428 NZ LYS A 44 -17.226 -3.136 16.260 1.00 11.44 N ATOM 429 HZ1 LYS A 44 -17.732 -3.209 15.355 1.00 0.00 H ATOM 430 HZ2 LYS A 44 -16.213 -2.983 16.081 1.00 0.00 H ATOM 431 HZ3 LYS A 44 -17.355 -4.014 16.803 1.00 0.00 H ATOM 432 H LYS A 44 -17.684 2.945 19.101 1.00 0.00 H ATOM 433 N ASN A 45 -21.097 2.531 17.057 1.00 6.89 N ATOM 434 CA ASN A 45 -22.414 1.958 17.381 1.00 7.20 C ATOM 435 C ASN A 45 -22.909 1.339 16.083 1.00 7.51 C ATOM 436 O ASN A 45 -23.306 2.061 15.173 1.00 7.60 O ATOM 437 CB ASN A 45 -23.333 3.041 17.909 1.00 7.63 C ATOM 438 CG ASN A 45 -24.688 2.538 18.352 1.00 8.03 C ATOM 439 OD1 ASN A 45 -25.464 3.345 18.960 1.00 9.01 O ATOM 440 ND2 ASN A 45 -25.023 1.334 18.087 1.00 10.26 N ATOM 441 HD22 ASN A 45 -24.359 0.707 17.589 1.00 0.00 H ATOM 442 HD21 ASN A 45 -25.959 0.981 18.370 1.00 0.00 H ATOM 443 H ASN A 45 -20.978 3.012 16.143 1.00 0.00 H ATOM 444 N GLY A 46 -22.792 0.018 15.991 1.00 8.96 N ATOM 445 CA GLY A 46 -23.067 -0.607 14.705 1.00 9.91 C ATOM 446 C GLY A 46 -22.121 -0.074 13.660 1.00 9.76 C ATOM 447 O GLY A 46 -20.928 0.059 13.878 1.00 10.99 O ATOM 448 H GLY A 46 -22.512 -0.553 16.814 1.00 0.00 H ATOM 449 N ASP A 47 -22.690 0.320 12.505 1.00 9.15 N ATOM 450 CA ASP A 47 -21.977 0.810 11.355 1.00 8.51 C ATOM 451 C ASP A 47 -21.607 2.297 11.531 1.00 7.86 C ATOM 452 O ASP A 47 -21.006 2.825 10.617 1.00 11.09 O ATOM 453 CB ASP A 47 -22.665 0.527 10.034 1.00 10.94 C ATOM 454 CG ASP A 47 -22.964 -0.896 9.828 1.00 15.43 C ATOM 455 OD1 ASP A 47 -22.228 -1.730 10.323 1.00 19.24 O ATOM 456 OD2 ASP A 47 -23.981 -1.193 9.163 1.00 29.05 O ATOM 457 H ASP A 47 -23.726 0.266 12.439 1.00 0.00 H ATOM 458 N ILE A 48 -22.000 2.951 12.589 1.00 8.02 N ATOM 459 CA ILE A 48 -21.775 4.402 12.710 1.00 7.30 C ATOM 460 C ILE A 48 -20.601 4.659 13.648 1.00 5.90 C ATOM 461 O ILE A 48 -20.619 4.260 14.821 1.00 6.49 O ATOM 462 CB ILE A 48 -23.015 5.086 13.186 1.00 8.06 C ATOM 463 CG1 ILE A 48 -24.211 4.783 12.301 1.00 11.54 C ATOM 464 CG2 ILE A 48 -22.738 6.609 13.260 1.00 7.37 C ATOM 465 CD1 ILE A 48 -24.060 5.050 10.883 1.00 14.96 C ATOM 466 H ILE A 48 -22.479 2.441 13.358 1.00 0.00 H ATOM 467 N LEU A 49 -19.606 5.372 13.125 1.00 5.74 N ATOM 468 CA LEU A 49 -18.488 5.837 13.922 1.00 5.17 C ATOM 469 C LEU A 49 -18.731 7.274 14.327 1.00 4.81 C ATOM 470 O LEU A 49 -19.306 8.061 13.558 1.00 5.79 O ATOM 471 CB LEU A 49 -17.184 5.734 13.116 1.00 7.29 C ATOM 472 CG LEU A 49 -16.720 4.302 12.943 1.00 9.24 C ATOM 473 CD1 LEU A 49 -15.795 4.074 11.830 1.00 12.63 C ATOM 474 CD2 LEU A 49 -16.063 3.787 14.223 1.00 11.87 C ATOM 475 H LEU A 49 -19.632 5.603 12.111 1.00 0.00 H ATOM 476 N THR A 50 -18.300 7.635 15.545 1.00 4.78 N ATOM 477 CA THR A 50 -18.291 9.009 15.989 1.00 4.87 C ATOM 478 C THR A 50 -16.884 9.346 16.469 1.00 5.02 C ATOM 479 O THR A 50 -16.318 8.604 17.272 1.00 7.20 O ATOM 480 CB THR A 50 -19.326 9.245 17.103 1.00 5.27 C ATOM 481 OG1 THR A 50 -20.634 8.955 16.577 1.00 5.61 O ATOM 482 CG2 THR A 50 -19.303 10.670 17.596 1.00 6.36 C ATOM 483 HG1 THR A 50 -20.820 9.552 15.810 1.00 0.00 H ATOM 484 H THR A 50 -17.959 6.897 16.194 1.00 0.00 H ATOM 485 N LEU A 51 -16.349 10.444 15.957 1.00 4.64 N ATOM 486 CA LEU A 51 -14.987 10.885 16.263 1.00 4.61 C ATOM 487 C LEU A 51 -15.090 12.288 16.836 1.00 4.40 C ATOM 488 O LEU A 51 -15.518 13.224 16.161 1.00 4.89 O ATOM 489 CB LEU A 51 -14.106 10.783 15.016 1.00 5.13 C ATOM 490 CG LEU A 51 -12.605 10.998 15.244 1.00 5.68 C ATOM 491 CD1 LEU A 51 -11.820 10.329 14.126 1.00 7.72 C ATOM 492 CD2 LEU A 51 -12.232 12.457 15.340 1.00 6.07 C ATOM 493 H LEU A 51 -16.923 11.019 15.308 1.00 0.00 H ATOM 494 N LYS A 52 -14.732 12.402 18.109 1.00 4.54 N ATOM 495 CA LYS A 52 -14.730 13.657 18.844 1.00 4.72 C ATOM 496 C LYS A 52 -13.300 14.140 18.974 1.00 4.56 C ATOM 497 O LYS A 52 -12.415 13.335 19.260 1.00 5.41 O ATOM 498 CB LYS A 52 -15.306 13.477 20.253 1.00 5.30 C ATOM 499 CG LYS A 52 -16.728 12.953 20.290 1.00 5.66 C ATOM 500 CD LYS A 52 -17.175 12.705 21.728 1.00 6.76 C ATOM 501 CE LYS A 52 -18.616 12.254 21.806 1.00 6.38 C ATOM 502 NZ LYS A 52 -19.059 12.204 23.261 1.00 7.16 N ATOM 503 HZ1 LYS A 52 -18.458 11.534 23.782 1.00 0.00 H ATOM 504 HZ2 LYS A 52 -18.970 13.151 23.682 1.00 0.00 H ATOM 505 HZ3 LYS A 52 -20.050 11.893 23.310 1.00 0.00 H ATOM 506 H LYS A 52 -14.435 11.541 18.612 1.00 0.00 H ATOM 507 N THR A 53 -13.077 15.429 18.817 1.00 4.84 N ATOM 508 CA THR A 53 -11.795 16.035 19.160 1.00 4.76 C ATOM 509 C THR A 53 -12.110 17.146 20.179 1.00 6.07 C ATOM 510 O THR A 53 -12.963 17.990 19.988 1.00 6.34 O ATOM 511 CB THR A 53 -11.080 16.537 17.892 1.00 5.78 C ATOM 512 OG1 THR A 53 -10.980 15.432 16.932 1.00 7.13 O ATOM 513 CG2 THR A 53 -9.616 16.874 18.099 1.00 6.23 C ATOM 514 HG1 THR A 53 -10.521 15.748 16.114 1.00 0.00 H ATOM 515 H THR A 53 -13.836 16.031 18.438 1.00 0.00 H ATOM 516 N HIS A 54 -11.470 17.045 21.354 1.00 6.07 N ATOM 517 CA HIS A 54 -11.745 17.976 22.449 1.00 6.27 C ATOM 518 C HIS A 54 -10.457 18.689 22.836 1.00 6.57 C ATOM 519 O HIS A 54 -9.393 18.092 22.922 1.00 7.07 O ATOM 520 CB HIS A 54 -12.264 17.231 23.658 1.00 7.01 C ATOM 521 CG HIS A 54 -13.621 16.639 23.467 1.00 6.83 C ATOM 522 ND1 HIS A 54 -14.151 15.731 24.356 1.00 8.56 N ATOM 523 CD2 HIS A 54 -14.556 16.879 22.510 1.00 6.96 C ATOM 524 CE1 HIS A 54 -15.337 15.438 23.938 1.00 8.10 C ATOM 525 NE2 HIS A 54 -15.647 16.095 22.821 1.00 7.26 N ATOM 526 H HIS A 54 -10.766 16.292 21.489 1.00 0.00 H ATOM 527 N SER A 55 -10.584 19.979 23.127 1.00 7.48 N ATOM 528 CA SER A 55 -9.422 20.700 23.614 1.00 8.02 C ATOM 529 C SER A 55 -9.890 21.943 24.358 1.00 7.74 C ATOM 530 O SER A 55 -11.053 22.275 24.397 1.00 8.53 O ATOM 531 CB SER A 55 -8.485 21.107 22.473 1.00 8.66 C ATOM 532 OG SER A 55 -8.955 22.213 21.735 1.00 8.87 O ATOM 533 HG SER A 55 -9.834 21.993 21.336 1.00 0.00 H ATOM 534 H SER A 55 -11.497 20.462 23.008 1.00 0.00 H ATOM 535 N THR A 56 -8.914 22.676 24.891 1.00 8.59 N ATOM 536 CA THR A 56 -9.181 23.967 25.488 1.00 9.25 C ATOM 537 C THR A 56 -9.486 25.052 24.503 1.00 10.58 C ATOM 538 O THR A 56 -9.820 26.153 24.905 1.00 14.40 O ATOM 539 CB THR A 56 -8.004 24.387 26.377 1.00 11.83 C ATOM 540 OG1 THR A 56 -6.803 24.323 25.592 1.00 14.60 O ATOM 541 CG2 THR A 56 -7.862 23.534 27.580 1.00 12.00 C ATOM 542 HG1 THR A 56 -6.882 24.937 24.819 1.00 0.00 H ATOM 543 H THR A 56 -7.940 22.313 24.878 1.00 0.00 H ATOM 544 N PHE A 57 -9.301 24.820 23.217 1.00 9.71 N ATOM 545 CA PHE A 57 -9.481 25.827 22.182 1.00 10.12 C ATOM 546 C PHE A 57 -10.656 25.488 21.338 1.00 11.42 C ATOM 547 O PHE A 57 -11.616 26.135 21.406 1.00 22.88 O ATOM 548 CB PHE A 57 -8.185 25.964 21.387 1.00 11.44 C ATOM 549 CG PHE A 57 -8.188 26.971 20.307 1.00 11.81 C ATOM 550 CD1 PHE A 57 -8.908 28.137 20.379 1.00 14.73 C ATOM 551 CD2 PHE A 57 -7.335 26.783 19.182 1.00 13.19 C ATOM 552 CE1 PHE A 57 -8.810 29.088 19.370 1.00 17.76 C ATOM 553 CE2 PHE A 57 -7.209 27.742 18.229 1.00 13.68 C ATOM 554 CZ PHE A 57 -7.945 28.877 18.293 1.00 16.42 C ATOM 555 H PHE A 57 -9.010 23.864 22.927 1.00 0.00 H ATOM 556 N LYS A 58 -10.556 24.518 20.413 1.00 13.46 N ATOM 557 CA LYS A 58 -11.719 24.121 19.610 1.00 12.63 C ATOM 558 C LYS A 58 -12.143 22.729 19.961 1.00 8.60 C ATOM 559 O LYS A 58 -11.310 21.897 20.350 1.00 8.64 O ATOM 560 CB LYS A 58 -11.243 24.155 18.136 1.00 16.78 C ATOM 561 CG LYS A 58 -10.694 25.362 17.472 1.00 21.19 C ATOM 562 CD LYS A 58 -11.723 26.437 17.294 1.00 24.50 C ATOM 563 CE LYS A 58 -11.359 27.845 16.694 1.00 28.19 C ATOM 564 NZ LYS A 58 -12.592 28.667 16.745 1.00 34.39 N ATOM 565 HZ1 LYS A 58 -13.337 28.208 16.183 1.00 0.00 H ATOM 566 HZ2 LYS A 58 -12.907 28.757 17.732 1.00 0.00 H ATOM 567 HZ3 LYS A 58 -12.394 29.611 16.356 1.00 0.00 H ATOM 568 H LYS A 58 -9.643 24.043 20.264 1.00 0.00 H ATOM 569 N ASN A 59 -13.440 22.405 19.838 1.00 8.13 N ATOM 570 CA ASN A 59 -13.968 21.065 19.865 1.00 6.42 C ATOM 571 C ASN A 59 -14.627 20.755 18.511 1.00 5.19 C ATOM 572 O ASN A 59 -15.245 21.642 17.928 1.00 5.54 O ATOM 573 CB ASN A 59 -15.049 20.926 20.953 1.00 7.46 C ATOM 574 CG ASN A 59 -14.484 21.184 22.346 1.00 8.17 C ATOM 575 OD1 ASN A 59 -13.463 20.611 22.738 1.00 7.00 O ATOM 576 ND2 ASN A 59 -15.126 22.089 23.055 1.00 12.51 N ATOM 577 HD22 ASN A 59 -15.982 22.538 22.672 1.00 0.00 H ATOM 578 HD21 ASN A 59 -14.777 22.354 23.998 1.00 0.00 H ATOM 579 H ASN A 59 -14.118 23.184 19.713 1.00 0.00 H ATOM 580 N THR A 60 -14.564 19.497 18.122 1.00 5.07 N ATOM 581 CA THR A 60 -15.305 19.030 16.954 1.00 4.87 C ATOM 582 C THR A 60 -15.911 17.650 17.232 1.00 4.46 C ATOM 583 O THR A 60 -15.440 16.914 18.098 1.00 4.98 O ATOM 584 CB THR A 60 -14.420 18.929 15.683 1.00 5.39 C ATOM 585 OG1 THR A 60 -13.318 18.075 15.921 1.00 6.29 O ATOM 586 CG2 THR A 60 -13.894 20.304 15.263 1.00 7.07 C ATOM 587 HG1 THR A 60 -13.647 17.172 16.160 1.00 0.00 H ATOM 588 H THR A 60 -13.976 18.826 18.656 1.00 0.00 H ATOM 589 N GLU A 61 -16.933 17.321 16.456 1.00 4.39 N ATOM 590 CA GLU A 61 -17.486 15.968 16.460 1.00 4.19 C ATOM 591 C GLU A 61 -18.032 15.683 15.069 1.00 4.34 C ATOM 592 O GLU A 61 -18.734 16.518 14.490 1.00 5.02 O ATOM 593 CB GLU A 61 -18.600 15.819 17.510 1.00 4.57 C ATOM 594 CG GLU A 61 -19.187 14.428 17.513 1.00 4.81 C ATOM 595 CD GLU A 61 -20.181 14.197 18.648 1.00 4.59 C ATOM 596 OE1 GLU A 61 -19.881 14.623 19.790 1.00 4.82 O ATOM 597 OE2 GLU A 61 -21.244 13.587 18.391 1.00 4.89 O ATOM 598 H GLU A 61 -17.350 18.040 15.831 1.00 0.00 H ATOM 599 N ILE A 62 -17.727 14.486 14.572 1.00 4.38 N ATOM 600 CA ILE A 62 -18.306 13.981 13.327 1.00 4.28 C ATOM 601 C ILE A 62 -18.840 12.570 13.570 1.00 4.30 C ATOM 602 O ILE A 62 -18.276 11.809 14.351 1.00 5.16 O ATOM 603 CB ILE A 62 -17.263 13.985 12.175 1.00 4.54 C ATOM 604 CG1 ILE A 62 -16.059 13.098 12.454 1.00 4.81 C ATOM 605 CG2 ILE A 62 -16.836 15.433 11.896 1.00 5.43 C ATOM 606 CD1 ILE A 62 -15.070 12.989 11.301 1.00 5.53 C ATOM 607 H ILE A 62 -17.051 13.887 15.088 1.00 0.00 H ATOM 608 N SER A 63 -19.909 12.226 12.849 1.00 4.52 N ATOM 609 CA SER A 63 -20.390 10.860 12.780 1.00 4.62 C ATOM 610 C SER A 63 -20.512 10.451 11.309 1.00 4.60 C ATOM 611 O SER A 63 -20.882 11.261 10.459 1.00 5.55 O ATOM 612 CB SER A 63 -21.757 10.659 13.448 1.00 5.40 C ATOM 613 OG SER A 63 -21.692 10.845 14.847 1.00 6.26 O ATOM 614 HG SER A 63 -21.057 10.193 15.236 1.00 0.00 H ATOM 615 H SER A 63 -20.415 12.964 12.318 1.00 0.00 H ATOM 616 N PHE A 64 -20.174 9.190 11.032 1.00 4.79 N ATOM 617 CA PHE A 64 -20.132 8.741 9.661 1.00 5.09 C ATOM 618 C PHE A 64 -20.219 7.222 9.638 1.00 5.10 C ATOM 619 O PHE A 64 -19.867 6.546 10.581 1.00 5.58 O ATOM 620 CB PHE A 64 -18.849 9.225 8.951 1.00 5.33 C ATOM 621 CG PHE A 64 -17.581 8.852 9.673 1.00 5.02 C ATOM 622 CD1 PHE A 64 -16.950 7.642 9.424 1.00 5.49 C ATOM 623 CD2 PHE A 64 -17.028 9.685 10.650 1.00 5.64 C ATOM 624 CE1 PHE A 64 -15.789 7.286 10.111 1.00 6.04 C ATOM 625 CE2 PHE A 64 -15.900 9.339 11.341 1.00 6.15 C ATOM 626 CZ PHE A 64 -15.275 8.122 11.080 1.00 6.18 C ATOM 627 H PHE A 64 -19.941 8.532 11.803 1.00 0.00 H ATOM 628 N LYS A 65 -20.636 6.665 8.491 1.00 5.70 N ATOM 629 CA LYS A 65 -20.404 5.255 8.152 1.00 6.11 C ATOM 630 C LYS A 65 -19.208 5.197 7.251 1.00 5.45 C ATOM 631 O LYS A 65 -19.020 6.030 6.359 1.00 5.29 O ATOM 632 CB LYS A 65 -21.585 4.589 7.348 1.00 8.63 C ATOM 633 CG LYS A 65 -22.775 4.445 8.194 1.00 8.34 C ATOM 634 CD LYS A 65 -23.941 3.871 7.395 1.00 11.56 C ATOM 635 CE LYS A 65 -25.076 3.478 8.335 1.00 12.47 C ATOM 636 NZ LYS A 65 -26.233 2.827 7.659 1.00 14.70 N ATOM 637 HZ1 LYS A 65 -26.633 3.479 6.954 1.00 0.00 H ATOM 638 HZ2 LYS A 65 -25.913 1.957 7.187 1.00 0.00 H ATOM 639 HZ3 LYS A 65 -26.959 2.592 8.366 1.00 0.00 H ATOM 640 H LYS A 65 -21.148 7.260 7.809 1.00 0.00 H ATOM 641 N LEU A 66 -18.357 4.142 7.414 1.00 6.69 N ATOM 642 CA LEU A 66 -17.261 3.963 6.539 1.00 6.53 C ATOM 643 C LEU A 66 -17.764 3.840 5.112 1.00 6.37 C ATOM 644 O LEU A 66 -18.754 3.154 4.825 1.00 7.30 O ATOM 645 CB LEU A 66 -16.439 2.709 6.909 1.00 7.94 C ATOM 646 CG LEU A 66 -15.728 2.789 8.253 1.00 8.80 C ATOM 647 CD1 LEU A 66 -15.147 1.420 8.587 1.00 13.12 C ATOM 648 CD2 LEU A 66 -14.653 3.832 8.271 1.00 9.83 C ATOM 649 H LEU A 66 -18.516 3.465 8.187 1.00 0.00 H ATOM 650 N GLY A 67 -17.068 4.523 4.217 1.00 6.54 N ATOM 651 CA GLY A 67 -17.353 4.413 2.795 1.00 7.22 C ATOM 652 C GLY A 67 -18.560 5.164 2.318 1.00 6.73 C ATOM 653 O GLY A 67 -18.915 4.966 1.151 1.00 8.57 O ATOM 654 H GLY A 67 -16.303 5.150 4.537 1.00 0.00 H ATOM 655 N VAL A 68 -19.142 6.049 3.148 1.00 5.87 N ATOM 656 CA VAL A 68 -20.304 6.823 2.761 1.00 5.85 C ATOM 657 C VAL A 68 -19.957 8.312 2.969 1.00 5.08 C ATOM 658 O VAL A 68 -19.598 8.726 4.095 1.00 5.01 O ATOM 659 CB VAL A 68 -21.541 6.429 3.557 1.00 6.53 C ATOM 660 CG1 VAL A 68 -22.734 7.281 3.169 1.00 8.13 C ATOM 661 CG2 VAL A 68 -21.845 4.931 3.368 1.00 8.28 C ATOM 662 H VAL A 68 -18.744 6.182 4.100 1.00 0.00 H ATOM 663 N GLU A 69 -20.090 9.098 1.928 1.00 5.15 N ATOM 664 CA GLU A 69 -19.745 10.530 2.020 1.00 4.83 C ATOM 665 C GLU A 69 -20.628 11.227 3.039 1.00 4.62 C ATOM 666 O GLU A 69 -21.827 10.914 3.184 1.00 4.98 O ATOM 667 CB GLU A 69 -19.865 11.132 0.610 1.00 5.10 C ATOM 668 CG GLU A 69 -19.380 12.565 0.509 1.00 5.75 C ATOM 669 CD GLU A 69 -19.433 13.050 -0.944 1.00 6.30 C ATOM 670 OE1 GLU A 69 -20.554 13.216 -1.458 1.00 7.75 O ATOM 671 OE2 GLU A 69 -18.359 13.236 -1.532 1.00 9.41 O ATOM 672 H GLU A 69 -20.442 8.709 1.030 1.00 0.00 H ATOM 673 N PHE A 70 -20.063 12.232 3.690 1.00 4.52 N ATOM 674 CA PHE A 70 -20.783 13.059 4.649 1.00 4.33 C ATOM 675 C PHE A 70 -20.288 14.490 4.549 1.00 4.46 C ATOM 676 O PHE A 70 -19.141 14.756 4.215 1.00 5.15 O ATOM 677 CB PHE A 70 -20.648 12.532 6.107 1.00 4.72 C ATOM 678 CG PHE A 70 -19.240 12.436 6.629 1.00 4.46 C ATOM 679 CD1 PHE A 70 -18.415 11.383 6.258 1.00 4.51 C ATOM 680 CD2 PHE A 70 -18.746 13.368 7.549 1.00 4.92 C ATOM 681 CE1 PHE A 70 -17.140 11.266 6.788 1.00 4.71 C ATOM 682 CE2 PHE A 70 -17.474 13.244 8.074 1.00 4.96 C ATOM 683 CZ PHE A 70 -16.661 12.193 7.706 1.00 4.80 C ATOM 684 H PHE A 70 -19.060 12.440 3.509 1.00 0.00 H ATOM 685 N ASP A 71 -21.183 15.435 4.869 1.00 4.63 N ATOM 686 CA ASP A 71 -20.781 16.824 5.007 1.00 4.85 C ATOM 687 C ASP A 71 -20.078 17.030 6.346 1.00 4.71 C ATOM 688 O ASP A 71 -20.461 16.446 7.366 1.00 5.39 O ATOM 689 CB ASP A 71 -22.011 17.740 4.943 1.00 5.78 C ATOM 690 CG ASP A 71 -22.552 17.886 3.501 1.00 6.52 C ATOM 691 OD1 ASP A 71 -21.786 18.309 2.647 1.00 10.54 O ATOM 692 OD2 ASP A 71 -23.718 17.577 3.287 1.00 8.82 O ATOM 693 H ASP A 71 -22.177 15.171 5.020 1.00 0.00 H ATOM 694 N GLU A 72 -19.070 17.903 6.350 1.00 4.99 N ATOM 695 CA GLU A 72 -18.307 18.195 7.555 1.00 4.85 C ATOM 696 C GLU A 72 -17.946 19.683 7.536 1.00 5.00 C ATOM 697 O GLU A 72 -17.646 20.243 6.479 1.00 5.89 O ATOM 698 CB GLU A 72 -17.049 17.319 7.581 1.00 4.77 C ATOM 699 CG GLU A 72 -16.078 17.600 8.718 1.00 4.63 C ATOM 700 CD GLU A 72 -14.819 16.745 8.683 1.00 4.77 C ATOM 701 OE1 GLU A 72 -14.590 16.027 7.689 1.00 5.54 O ATOM 702 OE2 GLU A 72 -14.032 16.826 9.655 1.00 5.60 O ATOM 703 H GLU A 72 -18.821 18.390 5.465 1.00 0.00 H ATOM 704 N THR A 73 -17.949 20.278 8.729 1.00 5.22 N ATOM 705 CA THR A 73 -17.435 21.639 8.923 1.00 5.59 C ATOM 706 C THR A 73 -16.262 21.521 9.880 1.00 5.30 C ATOM 707 O THR A 73 -16.434 21.142 11.035 1.00 5.96 O ATOM 708 CB THR A 73 -18.505 22.588 9.440 1.00 6.93 C ATOM 709 OG1 THR A 73 -19.560 22.570 8.476 1.00 8.35 O ATOM 710 CG2 THR A 73 -17.937 23.991 9.621 1.00 8.74 C ATOM 711 HG1 THR A 73 -19.913 21.649 8.392 1.00 0.00 H ATOM 712 H THR A 73 -18.328 19.761 9.548 1.00 0.00 H ATOM 713 N THR A 74 -15.061 21.790 9.377 1.00 5.33 N ATOM 714 CA THR A 74 -13.861 21.496 10.125 1.00 5.19 C ATOM 715 C THR A 74 -13.596 22.516 11.228 1.00 5.81 C ATOM 716 O THR A 74 -14.256 23.558 11.329 1.00 6.59 O ATOM 717 CB THR A 74 -12.669 21.443 9.157 1.00 5.22 C ATOM 718 OG1 THR A 74 -12.472 22.761 8.627 1.00 5.72 O ATOM 719 CG2 THR A 74 -12.888 20.452 8.044 1.00 5.48 C ATOM 720 HG1 THR A 74 -12.284 23.389 9.369 1.00 0.00 H ATOM 721 H THR A 74 -14.985 22.218 8.432 1.00 0.00 H ATOM 722 N ALA A 75 -12.580 22.226 12.058 1.00 5.92 N ATOM 723 CA ALA A 75 -12.261 23.112 13.182 1.00 6.74 C ATOM 724 C ALA A 75 -11.883 24.513 12.733 1.00 7.03 C ATOM 725 O ALA A 75 -12.115 25.482 13.455 1.00 9.66 O ATOM 726 CB ALA A 75 -11.118 22.513 13.999 1.00 7.28 C ATOM 727 H ALA A 75 -12.016 21.367 11.902 1.00 0.00 H ATOM 728 N ASP A 76 -11.293 24.613 11.526 1.00 6.53 N ATOM 729 CA ASP A 76 -10.942 25.872 10.900 1.00 7.21 C ATOM 730 C ASP A 76 -12.023 26.389 9.945 1.00 7.51 C ATOM 731 O ASP A 76 -11.761 27.295 9.142 1.00 9.44 O ATOM 732 CB ASP A 76 -9.591 25.791 10.191 1.00 7.18 C ATOM 733 CG ASP A 76 -9.531 24.715 9.095 1.00 6.28 C ATOM 734 OD1 ASP A 76 -10.016 23.575 9.352 1.00 6.02 O ATOM 735 OD2 ASP A 76 -8.984 25.016 8.007 1.00 7.11 O ATOM 736 H ASP A 76 -11.077 23.735 11.013 1.00 0.00 H ATOM 737 N ASP A 77 -13.233 25.865 10.062 1.00 7.20 N ATOM 738 CA ASP A 77 -14.422 26.381 9.407 1.00 8.08 C ATOM 739 C ASP A 77 -14.473 26.159 7.901 1.00 7.93 C ATOM 740 O ASP A 77 -15.229 26.820 7.206 1.00 11.88 O ATOM 741 CB ASP A 77 -14.692 27.857 9.750 1.00 10.79 C ATOM 742 CG ASP A 77 -14.707 28.103 11.167 1.00 33.67 C ATOM 743 OD1 ASP A 77 -15.530 27.427 11.917 1.00 37.47 O ATOM 744 OD2 ASP A 77 -13.891 28.863 11.585 1.00 41.36 O ATOM 745 H ASP A 77 -13.340 25.025 10.665 1.00 0.00 H ATOM 746 N ARG A 78 -13.778 25.141 7.392 1.00 6.51 N ATOM 747 CA ARG A 78 -13.986 24.719 6.015 1.00 6.51 C ATOM 748 C ARG A 78 -15.227 23.815 5.939 1.00 6.17 C ATOM 749 O ARG A 78 -15.390 22.912 6.754 1.00 7.15 O ATOM 750 CB ARG A 78 -12.799 23.932 5.471 1.00 6.08 C ATOM 751 CG ARG A 78 -11.546 24.784 5.247 1.00 6.68 C ATOM 752 CD ARG A 78 -10.358 23.920 4.849 1.00 6.63 C ATOM 753 NE ARG A 78 -9.819 23.220 6.017 1.00 5.93 N ATOM 754 CZ ARG A 78 -9.766 21.927 6.231 1.00 5.55 C ATOM 755 NH1 ARG A 78 -10.000 21.024 5.266 1.00 5.86 N ATOM 756 NH2 ARG A 78 -9.466 21.500 7.458 1.00 5.61 N ATOM 757 HE ARG A 78 -9.430 23.823 6.770 1.00 0.00 H ATOM 758 HH12 ARG A 78 -9.947 20.008 5.481 1.00 0.00 H ATOM 759 HH11 ARG A 78 -10.234 21.340 4.303 1.00 0.00 H ATOM 760 HH22 ARG A 78 -9.417 20.480 7.656 1.00 0.00 H ATOM 761 HH21 ARG A 78 -9.281 22.187 8.217 1.00 0.00 H ATOM 762 H ARG A 78 -13.082 24.645 7.984 1.00 0.00 H ATOM 763 N LYS A 79 -16.055 24.052 4.925 1.00 6.94 N ATOM 764 CA LYS A 79 -17.207 23.186 4.645 1.00 6.63 C ATOM 765 C LYS A 79 -16.791 22.230 3.555 1.00 6.56 C ATOM 766 O LYS A 79 -16.525 22.642 2.400 1.00 8.35 O ATOM 767 CB LYS A 79 -18.415 24.002 4.250 1.00 8.70 C ATOM 768 CG LYS A 79 -18.901 24.881 5.418 1.00 11.95 C ATOM 769 CD LYS A 79 -20.118 25.689 5.139 1.00 15.48 C ATOM 770 CE LYS A 79 -20.517 26.522 6.378 1.00 36.00 C ATOM 771 NZ LYS A 79 -21.708 27.374 6.186 1.00 43.90 N ATOM 772 HZ1 LYS A 79 -21.531 28.047 5.413 1.00 0.00 H ATOM 773 HZ2 LYS A 79 -22.525 26.777 5.947 1.00 0.00 H ATOM 774 HZ3 LYS A 79 -21.904 27.896 7.064 1.00 0.00 H ATOM 775 H LYS A 79 -15.881 24.875 4.313 1.00 0.00 H ATOM 776 N VAL A 80 -16.661 20.957 3.919 1.00 5.73 N ATOM 777 CA VAL A 80 -16.034 19.965 3.057 1.00 5.62 C ATOM 778 C VAL A 80 -16.956 18.769 2.858 1.00 5.35 C ATOM 779 O VAL A 80 -17.896 18.527 3.620 1.00 5.90 O ATOM 780 CB VAL A 80 -14.662 19.510 3.638 1.00 5.43 C ATOM 781 CG1 VAL A 80 -13.772 20.713 3.942 1.00 6.10 C ATOM 782 CG2 VAL A 80 -14.830 18.651 4.879 1.00 5.56 C ATOM 783 H VAL A 80 -17.019 20.661 4.849 1.00 0.00 H ATOM 784 N LYS A 81 -16.653 18.007 1.803 1.00 5.39 N ATOM 785 CA LYS A 81 -17.268 16.717 1.525 1.00 5.44 C ATOM 786 C LYS A 81 -16.257 15.654 1.953 1.00 5.09 C ATOM 787 O LYS A 81 -15.120 15.678 1.450 1.00 5.65 O ATOM 788 CB LYS A 81 -17.563 16.565 0.023 1.00 6.36 C ATOM 789 CG LYS A 81 -18.538 17.615 -0.517 1.00 8.14 C ATOM 790 CD LYS A 81 -19.942 17.335 -0.117 1.00 10.59 C ATOM 791 CE LYS A 81 -20.775 18.605 -0.545 1.00 8.11 C ATOM 792 NZ LYS A 81 -22.177 18.393 -0.160 1.00 6.94 N ATOM 793 HZ1 LYS A 81 -22.544 17.548 -0.642 1.00 0.00 H ATOM 794 HZ2 LYS A 81 -22.236 18.259 0.870 1.00 0.00 H ATOM 795 HZ3 LYS A 81 -22.740 19.223 -0.436 1.00 0.00 H ATOM 796 H LYS A 81 -15.933 18.357 1.139 1.00 0.00 H ATOM 797 N SER A 82 -16.643 14.779 2.858 1.00 4.78 N ATOM 798 CA SER A 82 -15.719 13.848 3.498 1.00 4.40 C ATOM 799 C SER A 82 -16.108 12.404 3.257 1.00 4.45 C ATOM 800 O SER A 82 -17.283 12.069 3.131 1.00 4.85 O ATOM 801 CB SER A 82 -15.700 14.108 5.001 1.00 4.77 C ATOM 802 OG SER A 82 -15.020 15.322 5.213 1.00 6.25 O ATOM 803 HG SER A 82 -14.992 15.518 6.183 1.00 0.00 H ATOM 804 H SER A 82 -17.647 14.750 3.128 1.00 0.00 H ATOM 805 N ILE A 83 -15.093 11.551 3.303 1.00 4.75 N ATOM 806 CA ILE A 83 -15.338 10.101 3.324 1.00 4.81 C ATOM 807 C ILE A 83 -14.197 9.488 4.139 1.00 5.06 C ATOM 808 O ILE A 83 -13.051 9.942 4.032 1.00 5.97 O ATOM 809 CB ILE A 83 -15.457 9.513 1.897 1.00 6.15 C ATOM 810 CG1 ILE A 83 -16.018 8.096 1.947 1.00 7.69 C ATOM 811 CG2 ILE A 83 -14.195 9.651 1.114 1.00 7.58 C ATOM 812 CD1 ILE A 83 -16.477 7.625 0.574 1.00 10.54 C ATOM 813 H ILE A 83 -14.117 11.910 3.324 1.00 0.00 H ATOM 814 N VAL A 84 -14.549 8.481 4.920 1.00 4.93 N ATOM 815 CA VAL A 84 -13.573 7.758 5.744 1.00 5.13 C ATOM 816 C VAL A 84 -13.671 6.273 5.347 1.00 5.31 C ATOM 817 O VAL A 84 -14.763 5.733 5.259 1.00 6.31 O ATOM 818 CB VAL A 84 -13.846 7.931 7.248 1.00 5.20 C ATOM 819 CG1 VAL A 84 -12.794 7.178 8.056 1.00 6.32 C ATOM 820 CG2 VAL A 84 -13.849 9.401 7.647 1.00 5.32 C ATOM 821 H VAL A 84 -15.548 8.192 4.951 1.00 0.00 H ATOM 822 N THR A 85 -12.548 5.598 5.178 1.00 5.10 N ATOM 823 CA THR A 85 -12.475 4.198 4.815 1.00 5.13 C ATOM 824 C THR A 85 -11.316 3.575 5.596 1.00 4.15 C ATOM 825 O THR A 85 -10.548 4.241 6.238 1.00 5.49 O ATOM 826 CB THR A 85 -12.284 4.028 3.311 1.00 8.45 C ATOM 827 OG1 THR A 85 -11.123 4.659 2.905 1.00 11.47 O ATOM 828 CG2 THR A 85 -13.357 4.782 2.473 1.00 15.23 C ATOM 829 HG1 THR A 85 -11.181 5.624 3.119 1.00 0.00 H ATOM 830 H THR A 85 -11.652 6.109 5.315 1.00 0.00 H ATOM 831 N LEU A 86 -11.253 2.255 5.492 1.00 7.09 N ATOM 832 CA LEU A 86 -10.064 1.514 5.887 1.00 7.23 C ATOM 833 C LEU A 86 -9.318 1.134 4.629 1.00 6.50 C ATOM 834 O LEU A 86 -9.866 0.674 3.605 1.00 7.40 O ATOM 835 CB LEU A 86 -10.471 0.228 6.642 1.00 6.64 C ATOM 836 CG LEU A 86 -10.930 0.545 8.057 1.00 6.86 C ATOM 837 CD1 LEU A 86 -11.708 -0.623 8.606 1.00 8.83 C ATOM 838 CD2 LEU A 86 -9.753 0.899 8.958 1.00 7.81 C ATOM 839 H LEU A 86 -12.073 1.736 5.119 1.00 0.00 H ATOM 840 N ASP A 87 -8.016 1.335 4.703 1.00 6.68 N ATOM 841 CA ASP A 87 -7.142 1.095 3.555 1.00 7.15 C ATOM 842 C ASP A 87 -5.816 0.600 4.128 1.00 6.94 C ATOM 843 O ASP A 87 -5.146 1.347 4.836 1.00 7.95 O ATOM 844 CB ASP A 87 -6.972 2.400 2.778 1.00 10.50 C ATOM 845 CG ASP A 87 -6.107 2.299 1.544 1.00 12.45 C ATOM 846 OD1 ASP A 87 -5.426 1.331 1.340 1.00 11.98 O ATOM 847 OD2 ASP A 87 -6.030 3.311 0.781 1.00 17.74 O ATOM 848 H ASP A 87 -7.603 1.671 5.596 1.00 0.00 H ATOM 849 N GLY A 88 -5.476 -0.655 3.879 1.00 7.00 N ATOM 850 CA GLY A 88 -4.239 -1.165 4.428 1.00 8.39 C ATOM 851 C GLY A 88 -4.236 -1.190 5.952 1.00 8.40 C ATOM 852 O GLY A 88 -3.167 -1.064 6.563 1.00 10.39 O ATOM 853 H GLY A 88 -6.088 -1.264 3.299 1.00 0.00 H ATOM 854 N GLY A 89 -5.405 -1.292 6.545 1.00 7.65 N ATOM 855 CA GLY A 89 -5.527 -1.254 7.999 1.00 8.93 C ATOM 856 C GLY A 89 -5.486 0.157 8.595 1.00 8.18 C ATOM 857 O GLY A 89 -5.552 0.281 9.833 1.00 11.17 O ATOM 858 H GLY A 89 -6.261 -1.402 5.965 1.00 0.00 H ATOM 859 N LYS A 90 -5.375 1.160 7.765 1.00 7.11 N ATOM 860 CA LYS A 90 -5.338 2.551 8.189 1.00 6.77 C ATOM 861 C LYS A 90 -6.710 3.171 7.986 1.00 6.28 C ATOM 862 O LYS A 90 -7.397 2.853 7.027 1.00 7.45 O ATOM 863 CB LYS A 90 -4.321 3.345 7.375 1.00 7.24 C ATOM 864 CG LYS A 90 -2.915 2.752 7.440 1.00 9.23 C ATOM 865 CD LYS A 90 -1.846 3.658 6.849 1.00 12.68 C ATOM 866 CE LYS A 90 -0.389 3.049 6.787 1.00 43.91 C ATOM 867 NZ LYS A 90 0.633 4.112 6.592 1.00 19.23 N ATOM 868 HZ1 LYS A 90 0.445 4.613 5.700 1.00 0.00 H ATOM 869 HZ2 LYS A 90 0.588 4.784 7.384 1.00 0.00 H ATOM 870 HZ3 LYS A 90 1.578 3.680 6.556 1.00 0.00 H ATOM 871 H LYS A 90 -5.310 0.953 6.748 1.00 0.00 H ATOM 872 N LEU A 91 -7.053 4.082 8.887 1.00 5.80 N ATOM 873 CA LEU A 91 -8.324 4.791 8.778 1.00 5.90 C ATOM 874 C LEU A 91 -8.059 6.052 7.981 1.00 5.73 C ATOM 875 O LEU A 91 -7.307 6.944 8.462 1.00 6.05 O ATOM 876 CB LEU A 91 -8.771 4.991 10.262 1.00 6.61 C ATOM 877 CG LEU A 91 -10.172 5.528 10.345 1.00 6.75 C ATOM 878 CD1 LEU A 91 -11.210 4.504 9.915 1.00 6.45 C ATOM 879 CD2 LEU A 91 -10.459 6.002 11.776 1.00 10.23 C ATOM 880 H LEU A 91 -6.411 4.293 9.678 1.00 0.00 H ATOM 881 N VAL A 92 -8.520 6.160 6.729 1.00 6.33 N ATOM 882 CA VAL A 92 -8.181 7.245 5.809 1.00 6.50 C ATOM 883 C VAL A 92 -9.396 8.160 5.657 1.00 6.58 C ATOM 884 O VAL A 92 -10.447 7.713 5.201 1.00 8.07 O ATOM 885 CB VAL A 92 -7.774 6.690 4.425 1.00 7.41 C ATOM 886 CG1 VAL A 92 -7.500 7.853 3.450 1.00 8.95 C ATOM 887 CG2 VAL A 92 -6.570 5.783 4.553 1.00 8.19 C ATOM 888 H VAL A 92 -9.165 5.420 6.386 1.00 0.00 H ATOM 889 N HIS A 93 -9.221 9.402 6.056 1.00 5.60 N ATOM 890 CA HIS A 93 -10.264 10.438 5.969 1.00 5.46 C ATOM 891 C HIS A 93 -9.835 11.423 4.872 1.00 5.45 C ATOM 892 O HIS A 93 -8.783 12.047 4.975 1.00 6.16 O ATOM 893 CB HIS A 93 -10.393 11.103 7.335 1.00 5.51 C ATOM 894 CG HIS A 93 -11.417 12.191 7.436 1.00 5.91 C ATOM 895 ND1 HIS A 93 -11.601 12.821 8.632 1.00 6.86 N ATOM 896 CD2 HIS A 93 -12.276 12.715 6.515 1.00 6.90 C ATOM 897 CE1 HIS A 93 -12.586 13.702 8.383 1.00 7.26 C ATOM 898 NE2 HIS A 93 -12.993 13.684 7.125 1.00 7.06 N ATOM 899 H HIS A 93 -8.297 9.666 6.454 1.00 0.00 H ATOM 900 N LEU A 94 -10.638 11.515 3.818 1.00 5.74 N ATOM 901 CA LEU A 94 -10.399 12.429 2.706 1.00 5.64 C ATOM 902 C LEU A 94 -11.443 13.543 2.767 1.00 5.20 C ATOM 903 O LEU A 94 -12.642 13.233 2.820 1.00 5.77 O ATOM 904 CB LEU A 94 -10.519 11.682 1.384 1.00 6.81 C ATOM 905 CG LEU A 94 -10.466 12.522 0.111 1.00 8.01 C ATOM 906 CD1 LEU A 94 -9.158 13.254 -0.047 1.00 8.87 C ATOM 907 CD2 LEU A 94 -10.719 11.662 -1.110 1.00 11.96 C ATOM 908 H LEU A 94 -11.479 10.905 3.784 1.00 0.00 H ATOM 909 N GLN A 95 -10.991 14.792 2.732 1.00 4.88 N ATOM 910 CA GLN A 95 -11.845 15.959 2.665 1.00 4.94 C ATOM 911 C GLN A 95 -11.634 16.678 1.328 1.00 5.21 C ATOM 912 O GLN A 95 -10.498 16.871 0.917 1.00 6.13 O ATOM 913 CB GLN A 95 -11.500 16.960 3.784 1.00 5.10 C ATOM 914 CG GLN A 95 -11.715 16.382 5.181 1.00 4.88 C ATOM 915 CD GLN A 95 -11.245 17.318 6.275 1.00 4.86 C ATOM 916 OE1 GLN A 95 -10.345 18.149 6.071 1.00 5.41 O ATOM 917 NE2 GLN A 95 -11.799 17.151 7.462 1.00 5.29 N ATOM 918 HE22 GLN A 95 -12.550 16.444 7.590 1.00 0.00 H ATOM 919 HE21 GLN A 95 -11.484 17.727 8.269 1.00 0.00 H ATOM 920 H GLN A 95 -9.962 14.940 2.754 1.00 0.00 H ATOM 921 N LYS A 96 -12.747 17.109 0.723 1.00 5.57 N ATOM 922 CA LYS A 96 -12.748 17.791 -0.564 1.00 6.24 C ATOM 923 C LYS A 96 -13.541 19.094 -0.443 1.00 6.68 C ATOM 924 O LYS A 96 -14.654 19.087 0.069 1.00 7.72 O ATOM 925 CB LYS A 96 -13.441 16.951 -1.616 1.00 8.14 C ATOM 926 CG LYS A 96 -12.792 15.671 -1.923 1.00 7.48 C ATOM 927 CD LYS A 96 -13.738 14.779 -2.770 1.00 8.60 C ATOM 928 CE LYS A 96 -13.168 13.441 -2.966 1.00 10.57 C ATOM 929 NZ LYS A 96 -14.160 12.537 -3.654 1.00 12.05 N ATOM 930 HZ1 LYS A 96 -15.017 12.457 -3.070 1.00 0.00 H ATOM 931 HZ2 LYS A 96 -14.407 12.938 -4.581 1.00 0.00 H ATOM 932 HZ3 LYS A 96 -13.738 11.596 -3.783 1.00 0.00 H ATOM 933 H LYS A 96 -13.659 16.949 1.196 1.00 0.00 H ATOM 934 N TRP A 97 -12.994 20.190 -0.978 1.00 7.18 N ATOM 935 CA TRP A 97 -13.710 21.452 -0.989 1.00 8.20 C ATOM 936 C TRP A 97 -13.039 22.365 -2.006 1.00 9.17 C ATOM 937 O TRP A 97 -11.834 22.377 -2.111 1.00 9.12 O ATOM 938 CB TRP A 97 -13.748 22.161 0.385 1.00 8.61 C ATOM 939 CG TRP A 97 -12.468 22.740 0.831 1.00 8.13 C ATOM 940 CD1 TRP A 97 -12.174 24.058 0.892 1.00 9.82 C ATOM 941 CD2 TRP A 97 -11.251 22.060 1.216 1.00 7.05 C ATOM 942 NE1 TRP A 97 -10.907 24.276 1.271 1.00 9.98 N ATOM 943 CE2 TRP A 97 -10.284 23.049 1.460 1.00 7.75 C ATOM 944 CE3 TRP A 97 -10.898 20.707 1.395 1.00 6.84 C ATOM 945 CZ2 TRP A 97 -8.995 22.753 1.843 1.00 8.45 C ATOM 946 CZ3 TRP A 97 -9.608 20.423 1.754 1.00 7.41 C ATOM 947 CH2 TRP A 97 -8.661 21.433 1.989 1.00 8.20 C ATOM 948 HE1 TRP A 97 -10.464 25.208 1.402 1.00 0.00 H ATOM 949 H TRP A 97 -12.042 20.137 -1.392 1.00 0.00 H ATOM 950 N ASP A 98 -13.836 23.128 -2.742 1.00 13.62 N ATOM 951 CA ASP A 98 -13.279 24.045 -3.753 1.00 16.00 C ATOM 952 C ASP A 98 -12.195 23.434 -4.734 1.00 13.63 C ATOM 953 O ASP A 98 -11.282 24.097 -5.185 1.00 14.53 O ATOM 954 CB ASP A 98 -12.700 25.235 -3.024 1.00 18.18 C ATOM 955 CG ASP A 98 -13.756 26.042 -2.297 1.00 21.17 C ATOM 956 OD1 ASP A 98 -14.989 26.030 -2.683 1.00 28.40 O ATOM 957 OD2 ASP A 98 -13.328 26.779 -1.336 1.00 30.63 O ATOM 958 H ASP A 98 -14.866 23.079 -2.604 1.00 0.00 H ATOM 959 N GLY A 99 -12.346 22.137 -5.036 1.00 12.29 N ATOM 960 CA GLY A 99 -11.334 21.455 -5.817 1.00 11.60 C ATOM 961 C GLY A 99 -10.050 21.041 -5.061 1.00 9.46 C ATOM 962 O GLY A 99 -9.214 20.340 -5.579 1.00 11.58 O ATOM 963 H GLY A 99 -13.188 21.621 -4.710 1.00 0.00 H ATOM 964 N GLN A 100 -9.908 21.462 -3.831 1.00 8.72 N ATOM 965 CA GLN A 100 -8.825 21.102 -2.919 1.00 8.41 C ATOM 966 C GLN A 100 -9.137 19.768 -2.257 1.00 6.39 C ATOM 967 O GLN A 100 -10.290 19.382 -2.122 1.00 6.61 O ATOM 968 CB GLN A 100 -8.625 22.166 -1.795 1.00 9.26 C ATOM 969 CG GLN A 100 -8.297 23.494 -2.347 1.00 13.35 C ATOM 970 CD GLN A 100 -7.771 24.455 -1.379 1.00 11.65 C ATOM 971 OE1 GLN A 100 -8.295 25.514 -1.302 1.00 21.15 O ATOM 972 NE2 GLN A 100 -6.759 24.111 -0.705 1.00 11.23 N ATOM 973 HE22 GLN A 100 -6.352 23.162 -0.826 1.00 0.00 H ATOM 974 HE21 GLN A 100 -6.333 24.777 -0.029 1.00 0.00 H ATOM 975 H GLN A 100 -10.633 22.113 -3.469 1.00 0.00 H ATOM 976 N GLU A 101 -8.124 19.031 -1.810 1.00 6.60 N ATOM 977 CA GLU A 101 -8.265 17.836 -0.988 1.00 7.41 C ATOM 978 C GLU A 101 -7.197 17.842 0.110 1.00 6.77 C ATOM 979 O GLU A 101 -6.056 18.247 -0.022 1.00 6.66 O ATOM 980 CB GLU A 101 -8.089 16.557 -1.770 1.00 10.14 C ATOM 981 CG GLU A 101 -8.918 16.485 -3.038 1.00 13.88 C ATOM 982 CD GLU A 101 -8.511 15.351 -3.936 1.00 18.46 C ATOM 983 OE1 GLU A 101 -7.371 15.014 -3.961 1.00 20.47 O ATOM 984 OE2 GLU A 101 -9.289 14.899 -4.834 1.00 28.24 O ATOM 985 H GLU A 101 -7.161 19.329 -2.066 1.00 0.00 H ATOM 986 N THR A 102 -7.561 17.314 1.278 1.00 5.19 N ATOM 987 CA THR A 102 -6.586 16.978 2.322 1.00 5.11 C ATOM 988 C THR A 102 -6.920 15.595 2.831 1.00 4.96 C ATOM 989 O THR A 102 -8.086 15.195 2.877 1.00 5.55 O ATOM 990 CB THR A 102 -6.581 18.056 3.437 1.00 5.48 C ATOM 991 OG1 THR A 102 -5.563 17.751 4.395 1.00 5.82 O ATOM 992 CG2 THR A 102 -7.867 18.166 4.223 1.00 5.64 C ATOM 993 HG1 THR A 102 -4.681 17.738 3.945 1.00 0.00 H ATOM 994 H THR A 102 -8.570 17.134 1.456 1.00 0.00 H ATOM 995 N THR A 103 -5.880 14.869 3.228 1.00 5.51 N ATOM 996 CA THR A 103 -6.052 13.554 3.809 1.00 5.98 C ATOM 997 C THR A 103 -5.566 13.545 5.264 1.00 5.80 C ATOM 998 O THR A 103 -4.562 14.171 5.607 1.00 6.66 O ATOM 999 CB THR A 103 -5.317 12.482 3.011 1.00 7.85 C ATOM 1000 OG1 THR A 103 -3.948 12.785 2.945 1.00 8.84 O ATOM 1001 CG2 THR A 103 -5.906 12.387 1.616 1.00 11.41 C ATOM 1002 HG1 THR A 103 -3.575 12.822 3.861 1.00 0.00 H ATOM 1003 H THR A 103 -4.920 15.254 3.119 1.00 0.00 H ATOM 1004 N LEU A 104 -6.303 12.800 6.060 1.00 5.73 N ATOM 1005 CA LEU A 104 -6.033 12.589 7.488 1.00 5.75 C ATOM 1006 C LEU A 104 -5.976 11.078 7.655 1.00 5.45 C ATOM 1007 O LEU A 104 -7.022 10.419 7.591 1.00 6.35 O ATOM 1008 CB LEU A 104 -7.109 13.215 8.377 1.00 6.23 C ATOM 1009 CG LEU A 104 -7.413 14.736 8.124 1.00 8.61 C ATOM 1010 CD1 LEU A 104 -8.496 14.914 7.040 1.00 9.18 C ATOM 1011 CD2 LEU A 104 -7.916 15.383 9.395 1.00 11.09 C ATOM 1012 H LEU A 104 -7.134 12.328 5.649 1.00 0.00 H ATOM 1013 N VAL A 105 -4.768 10.533 7.794 1.00 5.56 N ATOM 1014 CA VAL A 105 -4.563 9.074 7.788 1.00 5.65 C ATOM 1015 C VAL A 105 -4.161 8.639 9.194 1.00 5.28 C ATOM 1016 O VAL A 105 -3.205 9.187 9.746 1.00 6.78 O ATOM 1017 CB VAL A 105 -3.500 8.687 6.780 1.00 6.85 C ATOM 1018 CG1 VAL A 105 -3.223 7.184 6.868 1.00 8.98 C ATOM 1019 CG2 VAL A 105 -3.931 9.107 5.372 1.00 9.24 C ATOM 1020 H VAL A 105 -3.944 11.157 7.910 1.00 0.00 H ATOM 1021 N ARG A 106 -4.880 7.692 9.759 1.00 5.14 N ATOM 1022 CA ARG A 106 -4.580 7.179 11.096 1.00 5.26 C ATOM 1023 C ARG A 106 -4.109 5.728 10.991 1.00 5.42 C ATOM 1024 O ARG A 106 -4.747 4.899 10.344 1.00 5.92 O ATOM 1025 CB ARG A 106 -5.788 7.270 12.009 1.00 5.84 C ATOM 1026 CG ARG A 106 -6.123 8.716 12.359 1.00 5.57 C ATOM 1027 CD ARG A 106 -7.367 8.833 13.219 1.00 6.11 C ATOM 1028 NE ARG A 106 -7.581 10.169 13.737 1.00 6.23 N ATOM 1029 CZ ARG A 106 -8.283 11.100 13.115 1.00 5.85 C ATOM 1030 NH1 ARG A 106 -8.835 10.910 11.933 1.00 6.41 N ATOM 1031 NH2 ARG A 106 -8.467 12.281 13.716 1.00 6.64 N ATOM 1032 HE ARG A 106 -7.156 10.410 14.655 1.00 0.00 H ATOM 1033 HH12 ARG A 106 -9.379 11.675 11.484 1.00 0.00 H ATOM 1034 HH11 ARG A 106 -8.727 9.996 11.450 1.00 0.00 H ATOM 1035 HH22 ARG A 106 -9.017 13.026 13.242 1.00 0.00 H ATOM 1036 HH21 ARG A 106 -8.060 12.454 14.657 1.00 0.00 H ATOM 1037 H ARG A 106 -5.688 7.295 9.238 1.00 0.00 H ATOM 1038 N GLU A 107 -3.057 5.435 11.742 1.00 5.82 N ATOM 1039 CA GLU A 107 -2.583 4.059 11.829 1.00 7.00 C ATOM 1040 C GLU A 107 -2.123 3.830 13.252 1.00 5.94 C ATOM 1041 O GLU A 107 -1.882 4.720 14.054 1.00 5.79 O ATOM 1042 CB GLU A 107 -1.446 3.801 10.826 1.00 6.91 C ATOM 1043 CG GLU A 107 -0.225 4.627 11.171 1.00 6.96 C ATOM 1044 CD GLU A 107 0.738 4.546 10.012 1.00 8.86 C ATOM 1045 OE1 GLU A 107 1.428 3.493 9.944 1.00 11.36 O ATOM 1046 OE2 GLU A 107 0.618 5.396 9.115 1.00 8.58 O ATOM 1047 H GLU A 107 -2.569 6.187 12.270 1.00 0.00 H ATOM 1048 N LEU A 108 -2.007 2.527 13.455 1.00 7.99 N ATOM 1049 CA LEU A 108 -1.534 2.076 14.758 1.00 8.39 C ATOM 1050 C LEU A 108 -0.135 1.528 14.587 1.00 9.40 C ATOM 1051 O LEU A 108 0.070 0.658 13.738 1.00 12.30 O ATOM 1052 CB LEU A 108 -2.502 1.032 15.296 1.00 11.34 C ATOM 1053 CG LEU A 108 -3.938 1.632 15.573 1.00 14.71 C ATOM 1054 CD1 LEU A 108 -4.954 0.584 15.619 1.00 17.03 C ATOM 1055 CD2 LEU A 108 -3.847 2.555 16.790 1.00 17.32 C ATOM 1056 H LEU A 108 -2.246 1.845 12.707 1.00 0.00 H ATOM 1057 N ILE A 109 0.792 2.034 15.338 1.00 11.13 N ATOM 1058 CA ILE A 109 2.207 1.590 15.334 1.00 14.14 C ATOM 1059 C ILE A 109 2.593 1.409 16.816 1.00 14.34 C ATOM 1060 O ILE A 109 2.594 2.362 17.583 1.00 15.05 O ATOM 1061 CB ILE A 109 3.157 2.592 14.691 1.00 16.87 C ATOM 1062 CG1 ILE A 109 2.714 2.923 13.227 1.00 19.22 C ATOM 1063 CG2 ILE A 109 4.589 2.017 14.650 1.00 22.94 C ATOM 1064 CD1 ILE A 109 3.630 3.913 12.536 1.00 21.87 C ATOM 1065 H ILE A 109 0.526 2.802 15.986 1.00 0.00 H ATOM 1066 N ASP A 110 2.906 0.170 17.158 1.00 17.17 N ATOM 1067 CA ASP A 110 3.322 -0.154 18.517 1.00 19.45 C ATOM 1068 C ASP A 110 2.293 0.402 19.520 1.00 19.09 C ATOM 1069 O ASP A 110 2.688 0.899 20.568 1.00 21.39 O ATOM 1070 CB ASP A 110 4.790 0.319 18.796 1.00 27.06 C ATOM 1071 CG ASP A 110 5.801 -0.496 17.983 1.00 44.85 C ATOM 1072 OD1 ASP A 110 5.500 -1.661 17.781 1.00 34.67 O ATOM 1073 OD2 ASP A 110 6.748 0.114 17.476 1.00 71.36 O ATOM 1074 H ASP A 110 2.854 -0.586 16.445 1.00 0.00 H ATOM 1075 N GLY A 111 1.022 0.272 19.215 1.00 16.78 N ATOM 1076 CA GLY A 111 0.016 0.720 20.166 1.00 16.89 C ATOM 1077 C GLY A 111 -0.292 2.214 20.183 1.00 11.88 C ATOM 1078 O GLY A 111 -1.204 2.624 20.885 1.00 13.78 O ATOM 1079 H GLY A 111 0.738 -0.146 18.306 1.00 0.00 H ATOM 1080 N LYS A 112 0.479 3.016 19.465 1.00 10.78 N ATOM 1081 CA LYS A 112 0.237 4.453 19.372 1.00 9.59 C ATOM 1082 C LYS A 112 -0.544 4.713 18.091 1.00 8.04 C ATOM 1083 O LYS A 112 -0.400 4.020 17.102 1.00 10.53 O ATOM 1084 CB LYS A 112 1.568 5.196 19.297 1.00 12.14 C ATOM 1085 CG LYS A 112 2.389 4.950 20.579 1.00 17.32 C ATOM 1086 CD LYS A 112 3.631 5.793 20.586 1.00 26.52 C ATOM 1087 CE LYS A 112 4.783 5.098 21.265 1.00 34.08 C ATOM 1088 NZ LYS A 112 6.149 5.100 20.556 1.00 49.53 N ATOM 1089 HZ1 LYS A 112 6.059 4.633 19.631 1.00 0.00 H ATOM 1090 HZ2 LYS A 112 6.467 6.081 20.421 1.00 0.00 H ATOM 1091 HZ3 LYS A 112 6.841 4.587 21.139 1.00 0.00 H ATOM 1092 H LYS A 112 1.285 2.608 18.949 1.00 0.00 H ATOM 1093 N LEU A 113 -1.340 5.759 18.147 1.00 7.38 N ATOM 1094 CA LEU A 113 -2.050 6.144 16.935 1.00 7.19 C ATOM 1095 C LEU A 113 -1.256 7.298 16.326 1.00 6.77 C ATOM 1096 O LEU A 113 -1.008 8.330 16.956 1.00 6.74 O ATOM 1097 CB LEU A 113 -3.485 6.496 17.304 1.00 6.39 C ATOM 1098 CG LEU A 113 -4.492 6.805 16.188 1.00 5.72 C ATOM 1099 CD1 LEU A 113 -5.917 6.759 16.784 1.00 7.13 C ATOM 1100 CD2 LEU A 113 -4.213 8.194 15.593 1.00 6.60 C ATOM 1101 H LEU A 113 -1.459 6.295 19.030 1.00 0.00 H ATOM 1102 N ILE A 114 -0.942 7.094 15.043 1.00 6.45 N ATOM 1103 CA ILE A 114 -0.197 8.086 14.293 1.00 6.40 C ATOM 1104 C ILE A 114 -1.146 8.672 13.239 1.00 5.54 C ATOM 1105 O ILE A 114 -1.663 7.942 12.383 1.00 6.65 O ATOM 1106 CB ILE A 114 1.024 7.453 13.609 1.00 7.91 C ATOM 1107 CG1 ILE A 114 1.910 6.673 14.529 1.00 13.49 C ATOM 1108 CG2 ILE A 114 1.783 8.531 12.810 1.00 9.52 C ATOM 1109 CD1 ILE A 114 2.170 7.070 15.834 1.00 17.47 C ATOM 1110 H ILE A 114 -1.236 6.212 14.577 1.00 0.00 H ATOM 1111 N LEU A 115 -1.358 9.975 13.332 1.00 5.27 N ATOM 1112 CA LEU A 115 -2.203 10.724 12.413 1.00 4.96 C ATOM 1113 C LEU A 115 -1.293 11.526 11.486 1.00 4.78 C ATOM 1114 O LEU A 115 -0.520 12.372 11.935 1.00 5.55 O ATOM 1115 CB LEU A 115 -3.095 11.671 13.241 1.00 5.83 C ATOM 1116 CG LEU A 115 -3.871 12.715 12.437 1.00 5.90 C ATOM 1117 CD1 LEU A 115 -4.873 12.086 11.487 1.00 7.79 C ATOM 1118 CD2 LEU A 115 -4.578 13.677 13.407 1.00 7.97 C ATOM 1119 H LEU A 115 -0.895 10.493 14.105 1.00 0.00 H ATOM 1120 N THR A 116 -1.399 11.248 10.179 1.00 4.64 N ATOM 1121 CA THR A 116 -0.623 11.966 9.176 1.00 4.73 C ATOM 1122 C THR A 116 -1.600 12.838 8.383 1.00 4.69 C ATOM 1123 O THR A 116 -2.557 12.321 7.785 1.00 5.39 O ATOM 1124 CB THR A 116 0.119 11.007 8.237 1.00 5.74 C ATOM 1125 OG1 THR A 116 0.988 10.183 9.031 1.00 6.66 O ATOM 1126 CG2 THR A 116 0.955 11.780 7.241 1.00 6.95 C ATOM 1127 HG1 THR A 116 0.449 9.671 9.684 1.00 0.00 H ATOM 1128 H THR A 116 -2.053 10.500 9.872 1.00 0.00 H ATOM 1129 N LEU A 117 -1.352 14.135 8.344 1.00 4.09 N ATOM 1130 CA LEU A 117 -2.156 15.203 7.745 1.00 4.28 C ATOM 1131 C LEU A 117 -1.405 15.813 6.557 1.00 4.09 C ATOM 1132 O LEU A 117 -0.323 16.362 6.748 1.00 3.87 O ATOM 1133 CB LEU A 117 -2.385 16.335 8.767 1.00 4.71 C ATOM 1134 CG LEU A 117 -2.997 15.902 10.116 1.00 5.05 C ATOM 1135 CD1 LEU A 117 -3.052 17.088 11.038 1.00 5.95 C ATOM 1136 CD2 LEU A 117 -4.388 15.341 9.892 1.00 7.81 C ATOM 1137 H LEU A 117 -0.468 14.438 8.799 1.00 0.00 H ATOM 1138 N THR A 118 -1.999 15.684 5.352 1.00 4.55 N ATOM 1139 CA THR A 118 -1.326 16.142 4.134 1.00 4.59 C ATOM 1140 C THR A 118 -2.232 17.128 3.445 1.00 4.70 C ATOM 1141 O THR A 118 -3.390 16.773 3.161 1.00 4.96 O ATOM 1142 CB THR A 118 -1.007 14.985 3.167 1.00 5.41 C ATOM 1143 OG1 THR A 118 -0.225 14.022 3.848 1.00 6.11 O ATOM 1144 CG2 THR A 118 -0.235 15.507 1.961 1.00 6.21 C ATOM 1145 HG1 THR A 118 -0.731 13.679 4.627 1.00 0.00 H ATOM 1146 H THR A 118 -2.944 15.255 5.287 1.00 0.00 H ATOM 1147 N HIS A 119 -1.711 18.322 3.137 1.00 5.22 N ATOM 1148 CA HIS A 119 -2.413 19.302 2.297 1.00 5.47 C ATOM 1149 C HIS A 119 -1.346 20.021 1.507 1.00 5.80 C ATOM 1150 O HIS A 119 -0.343 20.443 2.089 1.00 5.87 O ATOM 1151 CB HIS A 119 -3.217 20.314 3.111 1.00 5.59 C ATOM 1152 CG HIS A 119 -3.849 21.356 2.256 1.00 5.78 C ATOM 1153 ND1 HIS A 119 -3.360 22.643 2.203 1.00 6.94 N ATOM 1154 CD2 HIS A 119 -4.907 21.269 1.411 1.00 6.30 C ATOM 1155 CE1 HIS A 119 -4.133 23.320 1.377 1.00 7.21 C ATOM 1156 NE2 HIS A 119 -5.077 22.525 0.863 1.00 7.64 N ATOM 1157 H HIS A 119 -0.770 18.566 3.508 1.00 0.00 H ATOM 1158 N GLY A 120 -1.545 20.169 0.204 1.00 6.32 N ATOM 1159 CA GLY A 120 -0.471 20.767 -0.584 1.00 7.12 C ATOM 1160 C GLY A 120 0.761 19.904 -0.472 1.00 6.62 C ATOM 1161 O GLY A 120 0.684 18.665 -0.650 1.00 7.88 O ATOM 1162 H GLY A 120 -2.436 19.869 -0.241 1.00 0.00 H ATOM 1163 N THR A 121 1.884 20.518 -0.153 1.00 6.29 N ATOM 1164 CA THR A 121 3.092 19.783 0.094 1.00 6.42 C ATOM 1165 C THR A 121 3.321 19.516 1.581 1.00 6.97 C ATOM 1166 O THR A 121 4.256 18.762 1.868 1.00 8.49 O ATOM 1167 CB THR A 121 4.329 20.519 -0.448 1.00 6.43 C ATOM 1168 OG1 THR A 121 4.404 21.799 0.163 1.00 6.26 O ATOM 1169 CG2 THR A 121 4.266 20.669 -1.945 1.00 7.94 C ATOM 1170 HG1 THR A 121 3.586 22.314 -0.051 1.00 0.00 H ATOM 1171 H THR A 121 1.894 21.555 -0.079 1.00 0.00 H ATOM 1172 N ALA A 122 2.514 20.106 2.458 1.00 6.06 N ATOM 1173 CA ALA A 122 2.717 20.004 3.906 1.00 6.53 C ATOM 1174 C ALA A 122 2.289 18.629 4.409 1.00 6.00 C ATOM 1175 O ALA A 122 1.195 18.165 4.091 1.00 7.23 O ATOM 1176 CB ALA A 122 1.905 21.083 4.604 1.00 7.55 C ATOM 1177 H ALA A 122 1.709 20.660 2.103 1.00 0.00 H ATOM 1178 N VAL A 123 3.151 18.046 5.230 1.00 6.06 N ATOM 1179 CA VAL A 123 2.907 16.736 5.815 1.00 5.84 C ATOM 1180 C VAL A 123 3.186 16.866 7.325 1.00 5.37 C ATOM 1181 O VAL A 123 4.314 17.124 7.736 1.00 6.36 O ATOM 1182 CB VAL A 123 3.764 15.623 5.214 1.00 7.10 C ATOM 1183 CG1 VAL A 123 3.363 14.284 5.823 1.00 8.39 C ATOM 1184 CG2 VAL A 123 3.604 15.606 3.671 1.00 8.71 C ATOM 1185 H VAL A 123 4.034 18.543 5.465 1.00 0.00 H ATOM 1186 N CYS A 124 2.141 16.671 8.104 1.00 5.41 N ATOM 1187 CA CYS A 124 2.196 16.750 9.560 1.00 5.28 C ATOM 1188 C CYS A 124 1.960 15.358 10.151 1.00 4.90 C ATOM 1189 O CYS A 124 1.099 14.622 9.673 1.00 5.41 O ATOM 1190 CB CYS A 124 1.123 17.746 10.018 1.00 5.68 C ATOM 1191 SG CYS A 124 0.642 17.617 11.755 1.00 5.13 S ATOM 1192 H CYS A 124 1.229 16.449 7.657 1.00 0.00 H ATOM 1193 N THR A 125 2.739 15.035 11.172 1.00 5.67 N ATOM 1194 CA THR A 125 2.568 13.774 11.877 1.00 5.58 C ATOM 1195 C THR A 125 2.324 14.024 13.350 1.00 5.97 C ATOM 1196 O THR A 125 3.160 14.668 14.005 1.00 6.04 O ATOM 1197 CB THR A 125 3.883 12.939 11.736 1.00 6.97 C ATOM 1198 OG1 THR A 125 4.204 12.829 10.341 1.00 7.66 O ATOM 1199 CG2 THR A 125 3.637 11.556 12.317 1.00 7.26 C ATOM 1200 HG1 THR A 125 4.335 13.734 9.961 1.00 0.00 H ATOM 1201 H THR A 125 3.485 15.693 11.475 1.00 0.00 H ATOM 1202 N ARG A 126 1.224 13.515 13.849 1.00 4.86 N ATOM 1203 CA ARG A 126 0.827 13.742 15.230 1.00 5.48 C ATOM 1204 C ARG A 126 0.448 12.412 15.874 1.00 7.48 C ATOM 1205 O ARG A 126 -0.373 11.610 15.374 1.00 7.01 O ATOM 1206 CB ARG A 126 -0.447 14.596 15.283 1.00 4.95 C ATOM 1207 CG ARG A 126 -0.143 16.073 15.008 1.00 5.10 C ATOM 1208 CD ARG A 126 -1.270 16.950 14.668 1.00 5.46 C ATOM 1209 NE ARG A 126 -2.269 17.201 15.688 1.00 5.30 N ATOM 1210 CZ ARG A 126 -2.141 18.147 16.633 1.00 4.55 C ATOM 1211 NH1 ARG A 126 -1.005 18.803 16.770 1.00 5.12 N ATOM 1212 NH2 ARG A 126 -3.184 18.366 17.419 1.00 5.70 N ATOM 1213 HE ARG A 126 -3.130 16.618 15.688 1.00 0.00 H ATOM 1214 HH12 ARG A 126 -0.912 19.534 17.504 1.00 0.00 H ATOM 1215 HH11 ARG A 126 -0.202 18.589 16.144 1.00 0.00 H ATOM 1216 HH22 ARG A 126 -3.130 19.089 18.165 1.00 0.00 H ATOM 1217 HH21 ARG A 126 -4.057 17.815 17.291 1.00 0.00 H ATOM 1218 H ARG A 126 0.617 12.931 13.239 1.00 0.00 H ATOM 1219 N THR A 127 1.073 12.241 17.034 1.00 5.86 N ATOM 1220 CA THR A 127 1.057 10.947 17.704 1.00 5.60 C ATOM 1221 C THR A 127 0.171 11.037 18.930 1.00 5.28 C ATOM 1222 O THR A 127 0.335 11.962 19.734 1.00 5.94 O ATOM 1223 CB THR A 127 2.469 10.537 18.122 1.00 7.61 C ATOM 1224 OG1 THR A 127 3.331 10.494 16.999 1.00 9.71 O ATOM 1225 CG2 THR A 127 2.499 9.181 18.789 1.00 9.27 C ATOM 1226 HG1 THR A 127 3.368 11.390 16.579 1.00 0.00 H ATOM 1227 H THR A 127 1.579 13.039 17.468 1.00 0.00 H ATOM 1228 N TYR A 128 -0.716 10.065 19.057 1.00 5.83 N ATOM 1229 CA TYR A 128 -1.628 9.964 20.170 1.00 6.34 C ATOM 1230 C TYR A 128 -1.383 8.661 20.924 1.00 6.65 C ATOM 1231 O TYR A 128 -1.073 7.634 20.334 1.00 7.74 O ATOM 1232 CB TYR A 128 -3.073 9.957 19.621 1.00 7.53 C ATOM 1233 CG TYR A 128 -3.609 11.301 19.188 1.00 6.28 C ATOM 1234 CD1 TYR A 128 -3.351 11.849 17.947 1.00 6.52 C ATOM 1235 CD2 TYR A 128 -4.390 12.038 20.054 1.00 6.28 C ATOM 1236 CE1 TYR A 128 -3.867 13.135 17.601 1.00 6.27 C ATOM 1237 CE2 TYR A 128 -4.897 13.295 19.745 1.00 6.19 C ATOM 1238 CZ TYR A 128 -4.627 13.833 18.503 1.00 5.99 C ATOM 1239 OH TYR A 128 -5.141 15.076 18.243 1.00 7.24 O ATOM 1240 HH TYR A 128 -4.883 15.354 17.329 1.00 0.00 H ATOM 1241 H TYR A 128 -0.758 9.336 18.317 1.00 0.00 H ATOM 1242 N GLU A 129 -1.542 8.728 22.251 1.00 7.60 N ATOM 1243 CA GLU A 129 -1.432 7.577 23.118 1.00 7.66 C ATOM 1244 C GLU A 129 -2.784 7.329 23.788 1.00 6.68 C ATOM 1245 O GLU A 129 -3.479 8.220 24.145 1.00 7.05 O ATOM 1246 CB GLU A 129 -0.319 7.758 24.140 1.00 10.57 C ATOM 1247 CG GLU A 129 1.040 7.360 23.530 1.00 10.72 C ATOM 1248 CD GLU A 129 2.182 7.606 24.502 1.00 32.15 C ATOM 1249 OE1 GLU A 129 1.926 7.940 25.656 1.00 60.88 O ATOM 1250 OE2 GLU A 129 3.304 7.547 24.001 1.00 45.21 O ATOM 1251 H GLU A 129 -1.755 9.652 22.679 1.00 0.00 H ATOM 1252 N LYS A 130 -3.080 6.066 23.975 1.00 8.69 N ATOM 1253 CA LYS A 130 -4.341 5.609 24.533 1.00 11.09 C ATOM 1254 C LYS A 130 -4.444 6.054 25.970 1.00 13.23 C ATOM 1255 O LYS A 130 -3.447 6.010 26.760 1.00 28.24 O ATOM 1256 CB LYS A 130 -4.353 4.067 24.432 1.00 17.24 C ATOM 1257 CG LYS A 130 -5.723 3.479 24.673 1.00 16.56 C ATOM 1258 CD LYS A 130 -6.454 3.773 23.407 1.00 16.99 C ATOM 1259 CE LYS A 130 -7.191 2.670 22.752 1.00 21.41 C ATOM 1260 NZ LYS A 130 -8.055 2.064 23.798 1.00 23.63 N ATOM 1261 HZ1 LYS A 130 -7.460 1.707 24.573 1.00 0.00 H ATOM 1262 HZ2 LYS A 130 -8.710 2.784 24.165 1.00 0.00 H ATOM 1263 HZ3 LYS A 130 -8.598 1.278 23.385 1.00 0.00 H ATOM 1264 H LYS A 130 -2.373 5.351 23.709 1.00 0.00 H ATOM 1265 N GLU A 131 -5.612 6.494 26.325 1.00 10.71 N ATOM 1266 CA GLU A 131 -6.038 6.595 27.726 1.00 11.12 C ATOM 1267 C GLU A 131 -6.833 5.358 28.171 1.00 11.21 C ATOM 1268 O GLU A 131 -7.643 4.776 27.496 1.00 14.86 O ATOM 1269 CB GLU A 131 -6.962 7.865 27.875 1.00 16.41 C ATOM 1270 CG GLU A 131 -7.398 8.405 29.272 1.00 23.07 C ATOM 1271 CD GLU A 131 -8.507 9.531 29.366 1.00 26.81 C ATOM 1272 OE1 GLU A 131 -8.202 10.684 29.402 1.00 38.58 O ATOM 1273 OE2 GLU A 131 -9.672 9.223 29.451 1.00 37.96 O ATOM 1274 H GLU A 131 -6.277 6.789 25.582 1.00 0.00 H ATOM 1275 N ALA A 132 -6.552 4.939 29.392 1.00 11.04 N ATOM 1276 CA ALA A 132 -7.162 3.793 29.987 1.00 12.32 C ATOM 1277 C ALA A 132 -8.589 4.055 30.308 1.00 21.52 C ATOM 1278 O ALA A 132 -8.990 5.174 30.583 1.00 17.74 O ATOM 1279 CB ALA A 132 -6.479 3.416 31.316 1.00 18.02 C ATOM 1280 OXT ALA A 132 -9.410 3.026 30.387 1.00 14.42 O ATOM 1281 H ALA A 132 -5.852 5.470 29.948 1.00 0.00 H TER 1282 ALA A 132 HETATM 1283 O HOH 1 5.470 23.480 11.139 1.00 6.30 O HETATM 1284 O HOH 2 -17.834 9.920 24.252 1.00 16.63 O HETATM 1285 O HOH 3 8.506 24.120 6.974 1.00 46.44 O HETATM 1286 O HOH 4 -5.881 13.787 -1.960 1.00 29.06 O HETATM 1287 O HOH 5 3.420 20.408 15.148 1.00 5.63 O HETATM 1288 O HOH 6 -8.714 -1.940 13.533 1.00 71.29 O HETATM 1289 O HOH 7 6.162 16.928 19.751 1.00 6.75 O HETATM 1290 O HOH 8 -10.123 12.270 28.740 1.00 19.48 O HETATM 1291 O HOH 9 -10.146 -2.154 3.821 1.00 7.61 O HETATM 1292 O HOH 10 -19.063 1.856 9.004 1.00 16.36 O HETATM 1293 O HOH 11 -22.303 13.195 15.904 1.00 12.77 O HETATM 1294 O HOH 12 4.122 30.121 10.838 1.00 9.34 O HETATM 1295 O HOH 13 6.808 14.348 21.992 1.00 7.93 O HETATM 1296 O HOH 14 -25.432 -0.167 12.027 1.00 23.18 O HETATM 1297 O HOH 15 5.793 30.241 8.648 1.00 18.60 O HETATM 1298 O HOH 16 6.086 26.160 10.850 1.00 11.81 O HETATM 1299 O HOH 17 -7.297 17.234 25.821 1.00 13.36 O HETATM 1300 O HOH 18 -18.578 14.971 -3.590 1.00 23.89 O HETATM 1301 O HOH 19 -22.901 12.844 9.615 1.00 7.92 O HETATM 1302 O HOH 20 -20.986 5.323 -0.549 1.00 15.13 O HETATM 1303 O HOH 21 2.992 28.912 14.641 1.00 8.73 O HETATM 1304 O HOH 22 -2.751 1.292 1.775 1.00 17.15 O HETATM 1305 O HOH 23 -16.672 18.986 12.661 1.00 5.96 O HETATM 1306 O HOH 24 -24.924 18.462 1.022 1.00 9.52 O HETATM 1307 O HOH 25 4.507 19.740 25.750 1.00 8.17 O HETATM 1308 O HOH 26 -9.867 4.626 25.929 1.00 9.80 O HETATM 1309 O HOH 27 9.434 15.137 18.752 1.00 5.66 O HETATM 1310 O HOH 28 -1.056 4.177 23.133 1.00 13.24 O HETATM 1311 O HOH 29 -21.590 12.473 -3.881 1.00 11.23 O HETATM 1312 O HOH 30 -17.007 22.481 16.007 1.00 14.55 O HETATM 1313 O HOH 31 -11.271 16.563 -5.865 1.00 14.41 O HETATM 1314 O HOH 32 -21.279 6.291 16.623 1.00 6.38 O HETATM 1315 O HOH 33 3.552 24.052 -1.147 1.00 8.33 O HETATM 1316 O HOH 34 -0.657 -0.889 7.756 1.00 13.60 O HETATM 1317 O HOH 35 -13.072 14.904 26.743 1.00 14.25 O HETATM 1318 O HOH 36 -13.028 20.266 25.542 1.00 22.15 O HETATM 1319 O HOH 37 8.966 18.842 12.339 1.00 6.20 O HETATM 1320 O HOH 38 -13.277 9.757 27.037 1.00 13.77 O HETATM 1321 O HOH 39 -21.401 6.070 19.370 1.00 9.19 O HETATM 1322 O HOH 40 -6.301 -1.832 11.432 1.00 28.28 O HETATM 1323 O HOH 41 -10.853 5.772 32.529 1.00 34.53 O HETATM 1324 O HOH 42 3.075 22.646 26.623 1.00 8.15 O HETATM 1325 O HOH 43 -15.157 13.867 -5.866 1.00 13.26 O HETATM 1326 O HOH 44 -5.151 -0.248 19.719 1.00 28.92 O HETATM 1327 O HOH 45 -24.028 20.438 -0.448 1.00 41.77 O HETATM 1328 O HOH 46 -3.752 3.614 28.711 1.00 20.56 O HETATM 1329 O HOH 47 -1.854 3.532 25.831 1.00 12.94 O HETATM 1330 O HOH 48 -22.455 11.833 20.174 1.00 7.51 O HETATM 1331 O HOH 49 -8.735 0.415 29.701 1.00 9.80 O HETATM 1332 O HOH 50 -20.018 20.338 3.574 1.00 12.15 O HETATM 1333 O HOH 51 1.479 23.033 1.161 1.00 8.04 O HETATM 1334 O HOH 52 0.708 37.243 18.915 1.00 26.45 O HETATM 1335 O HOH 53 3.251 28.671 17.361 1.00 8.22 O HETATM 1336 O HOH 54 -1.508 16.996 -1.266 1.00 20.67 O HETATM 1337 O HOH 55 1.863 12.832 2.352 1.00 12.17 O HETATM 1338 O HOH 56 -23.395 10.228 5.439 1.00 7.21 O HETATM 1339 O HOH 57 -19.085 -4.908 17.512 1.00 26.28 O HETATM 1340 O HOH 58 -13.496 23.189 25.575 1.00 21.68 O HETATM 1341 O HOH 59 -20.862 8.043 -0.622 1.00 10.30 O HETATM 1342 O HOH 60 -9.938 18.402 -7.569 1.00 18.23 O HETATM 1343 O HOH 61 -20.778 21.505 6.092 1.00 13.57 O HETATM 1344 O HOH 62 -19.711 16.059 10.128 1.00 7.21 O HETATM 1345 O HOH 63 6.370 11.425 14.450 1.00 19.09 O HETATM 1346 O HOH 64 -9.547 0.159 27.181 1.00 21.21 O HETATM 1347 O HOH 65 -9.547 26.226 -4.252 1.00 29.38 O HETATM 1348 O HOH 66 -12.561 10.142 -4.058 1.00 26.65 O HETATM 1349 O HOH 67 -14.652 24.697 18.516 1.00 15.33 O HETATM 1350 O HOH 68 5.419 20.325 5.908 1.00 11.72 O HETATM 1351 O HOH 69 -13.818 0.914 5.121 1.00 13.62 O HETATM 1352 O HOH 70 -2.141 34.997 9.453 1.00 45.68 O HETATM 1353 O HOH 71 -3.299 26.886 23.582 1.00 21.61 O HETATM 1354 O HOH 72 -3.128 0.674 11.483 1.00 13.89 O HETATM 1355 O HOH 73 5.595 11.549 23.637 1.00 30.27 O HETATM 1356 O HOH 74 -4.069 16.079 26.405 1.00 27.98 O HETATM 1357 O HOH 75 -2.565 2.573 4.175 1.00 33.91 O HETATM 1358 O HOH 76 -7.810 -2.499 5.362 1.00 8.43 O HETATM 1359 O HOH 77 -20.488 15.770 -2.923 1.00 14.85 O HETATM 1360 O HOH 78 -18.829 18.543 10.941 1.00 5.63 O HETATM 1361 O HOH 79 -16.773 18.142 20.427 1.00 6.74 O HETATM 1362 O HOH 80 -14.870 3.459 21.957 1.00 10.02 O HETATM 1363 O HOH 81 9.425 18.652 7.178 1.00 51.07 O HETATM 1364 O HOH 82 -4.737 6.409 31.238 1.00 29.85 O HETATM 1365 O HOH 83 -21.417 14.603 11.845 1.00 8.40 O HETATM 1366 O HOH 84 -11.445 7.697 2.374 1.00 17.41 O HETATM 1367 O HOH 85 -23.011 9.893 18.158 1.00 9.24 O HETATM 1368 O HOH 86 -0.478 -1.420 17.232 1.00 25.79 O HETATM 1369 O HOH 87 7.756 10.475 17.432 1.00 31.59 O HETATM 1370 O HOH 88 -16.534 23.177 13.338 1.00 21.55 O HETATM 1371 O HOH 89 -13.534 5.694 24.922 1.00 34.99 O HETATM 1372 O HOH 90 -21.513 3.915 21.026 1.00 9.44 O HETATM 1373 O HOH 91 -6.571 20.673 25.343 1.00 10.20 O HETATM 1374 O HOH 92 5.091 19.627 19.394 1.00 16.55 O HETATM 1375 O HOH 93 -12.430 12.369 -6.325 1.00 18.11 O HETATM 1376 O HOH 94 9.492 21.594 8.190 1.00 28.84 O HETATM 1377 O HOH 95 -16.082 1.334 3.851 1.00 17.99 O HETATM 1378 O HOH 96 -7.299 -1.148 23.112 1.00 10.39 O HETATM 1379 O HOH 97 -12.857 1.695 23.306 1.00 16.21 O HETATM 1380 O HOH 98 2.401 22.993 15.822 1.00 6.17 O HETATM 1381 O HOH 99 6.976 24.750 4.678 1.00 15.38 O HETATM 1382 O HOH 100 3.525 23.973 2.886 1.00 9.39 O HETATM 1383 O HOH 101 8.135 15.180 9.121 1.00 12.40 O HETATM 1384 O HOH 102 -4.560 36.103 10.495 1.00 30.72 O HETATM 1385 O HOH 103 -22.956 23.271 6.971 1.00 33.25 O HETATM 1386 O HOH 104 1.574 3.866 24.140 1.00 30.79 O HETATM 1387 O HOH 105 -11.432 2.219 25.937 1.00 26.25 O HETATM 1388 O HOH 106 -8.379 -3.885 7.594 1.00 22.15 O HETATM 1389 O HOH 107 3.923 25.819 0.855 1.00 12.67 O HETATM 1390 O HOH 108 0.847 24.391 -1.714 1.00 10.64 O HETATM 1391 O HOH 109 -1.793 3.159 -0.126 1.00 21.33 O HETATM 1392 O HOH 110 -1.360 14.345 -1.364 1.00 23.20 O HETATM 1393 O HOH 111 -26.110 20.755 1.440 1.00 32.33 O HETATM 1394 O HOH 112 10.796 16.146 8.664 1.00 31.43 O HETATM 1395 O HOH 113 -3.280 -1.867 18.168 1.00 29.14 O HETATM 1396 O HOH 114 -10.632 8.190 -0.115 1.00 40.42 O HETATM 1397 O HOH 115 -16.024 9.748 26.594 1.00 19.45 O HETATM 1398 O HOH 116 -10.188 19.923 18.828 1.00 25.77 O HETATM 1399 O HOH 117 -4.460 15.308 -0.040 1.00 36.18 O HETATM 1400 O HOH 118 5.127 26.453 5.851 1.00 21.96 O HETATM 1401 O HOH 119 -8.416 18.846 7.923 1.00 5.66 O HETATM 1402 O HOH 120 -8.581 27.445 6.885 1.00 13.10 O HETATM 1403 O HOH 121 -9.395 29.219 8.801 1.00 21.40 O HETATM 1404 O HOH 122 -4.755 35.336 13.253 1.00 48.60 O HETATM 1405 O HOH 123 4.208 12.790 15.778 1.00 8.07 O HETATM 1406 O HOH 124 -2.305 30.655 6.553 1.00 25.42 O HETATM 1407 O HOH 125 -0.063 5.755 4.558 1.00 32.61 O HETATM 1408 O HOH 126 2.754 25.649 4.909 1.00 9.76 O HETATM 1409 O HOH 127 -17.672 9.430 20.103 1.00 7.19 O HETATM 1410 O HOH 128 0.309 7.892 6.319 1.00 33.09 O HETATM 1411 O HOH 129 -5.790 26.112 24.122 1.00 15.21 O HETATM 1412 O HOH 130 -15.361 26.302 3.204 1.00 20.75 O HETATM 1413 O HOH 131 -13.707 15.482 15.639 1.00 6.27 O HETATM 1414 O HOH 132 -13.228 15.587 12.958 1.00 5.70 O HETATM 1415 O HOH 133 -14.096 18.066 11.959 1.00 5.54 O HETATM 1416 O HOH 134 -11.736 19.488 12.091 1.00 5.95 O HETATM 1417 O HOH 135 -10.525 18.378 9.875 1.00 9.10 O HETATM 1418 O HOH 136 -14.167 13.355 0.348 1.00 7.65 O HETATM 1419 O HOH 137 -15.916 12.046 -1.329 1.00 12.32 O HETATM 1420 O HOH 138 -16.695 24.831 0.793 1.00 35.33 O HETATM 1421 O HOH 139 4.751 4.189 17.628 1.00 31.82 O HETATM 1422 O HOH 140 -10.720 15.587 12.036 1.00 5.90 O HETATM 1423 O HOH 141 -3.711 19.048 -1.209 1.00 8.84 O HETATM 1424 O HOH 142 -6.311 21.972 17.443 1.00 27.70 O HETATM 1425 O HOH 143 5.436 15.016 9.286 1.00 14.90 O HETATM 1426 O HOH 144 -7.074 23.187 19.668 1.00 19.78 O HETATM 1427 O HOH 145 -2.088 12.264 4.955 1.00 7.18 O HETATM 1428 O HOH 146 -0.494 10.100 4.387 1.00 17.65 O HETATM 1429 O HOH 147 3.741 10.516 8.969 1.00 11.09 O HETATM 1430 O HOH 148 -6.091 11.011 15.989 1.00 9.06 O HETATM 1431 O HOH 149 -7.301 13.382 16.096 1.00 7.42 O HETATM 1432 O HOH 150 -0.372 7.950 9.677 1.00 8.92 O HETATM 1433 O HOH 151 -16.621 23.133 -2.042 1.00 16.67 O HETATM 1434 O HOH 152 -8.340 9.142 9.745 1.00 6.18 O HETATM 1435 O HOH 153 -10.236 13.154 11.078 1.00 6.81 O HETATM 1436 O HOH 154 -9.541 16.148 14.602 1.00 5.70 O HETATM 1437 O HOH 155 -10.823 18.674 14.551 1.00 8.09 O HETATM 1438 O HOH 156 -17.579 21.374 0.070 1.00 24.13 O HETATM 1439 O HOH 157 -5.563 20.166 -2.971 1.00 38.25 O HETATM 1440 O HOH 158 -8.059 26.096 2.897 1.00 23.37 O HETATM 1441 O HOH 159 -7.704 31.713 11.238 1.00 17.60 O HETATM 1442 O HOH 160 -8.976 29.185 11.487 1.00 25.17 O HETATM 1443 O HOH 161 -6.524 33.419 13.362 1.00 25.37 O HETATM 1444 O HOH 162 -0.924 12.586 27.947 1.00 29.00 O HETATM 1445 O HOH 163 -21.264 8.663 6.445 1.00 6.10 O HETATM 1446 O HOH 164 -0.653 25.474 0.332 1.00 17.05 O HETATM 1447 O HOH 165 -16.203 19.360 -2.440 1.00 17.03 O HETATM 1448 O HOH 166 -14.225 20.240 -4.179 1.00 12.23 O HETATM 1449 O HOH 167 -12.056 18.703 -4.246 1.00 10.95 O HETATM 1450 O HOH 168 -1.645 -5.908 17.782 1.00 27.41 O HETATM 1451 O HOH 169 -0.907 -7.715 19.590 1.00 26.14 O HETATM 1452 O HOH 170 -3.709 -4.141 17.003 1.00 36.01 O HETATM 1453 O HOH 171 -3.455 21.033 18.682 1.00 14.73 O HETATM 1454 O HOH 172 -1.508 14.950 26.247 1.00 12.10 O HETATM 1455 O HOH 173 -19.031 8.893 -2.569 1.00 19.37 O HETATM 1456 O HOH 174 -0.254 20.922 18.656 1.00 16.99 O HETATM 1457 O HOH 175 1.684 27.886 3.564 1.00 20.08 O HETATM 1458 O HOH 176 -10.327 27.004 1.988 1.00 22.43 O HETATM 1459 O HOH 177 -17.287 8.028 5.471 1.00 5.43 O HETATM 1460 O HOH 178 0.449 23.321 26.387 1.00 57.91 O HETATM 1461 O HOH 179 -10.074 30.475 14.852 1.00 38.91 O HETATM 1462 O HOH 180 1.045 1.029 11.165 1.00 27.94 O HETATM 1463 O HOH 181 6.366 13.084 2.812 1.00 31.75 O HETATM 1464 O HOH 182 4.604 10.552 6.306 1.00 28.91 O HETATM 1465 O HOH 183 5.568 8.974 16.562 1.00 31.56 O HETATM 1466 O HOH 184 -16.434 9.690 -2.440 1.00 30.47 O HETATM 1467 O HOH 185 5.421 8.817 10.403 1.00 31.56 O HETATM 1468 O HOH 186 3.690 11.152 3.817 1.00 35.21 O HETATM 1469 O HOH 187 1.667 6.092 10.082 1.00 15.99 O HETATM 1470 O HOH 188 -5.650 37.593 14.819 1.00 33.04 O HETATM 1471 O HOH 189 1.534 27.167 1.053 1.00 19.65 O HETATM 1472 O HOH 190 2.959 -1.884 15.220 1.00 30.46 O HETATM 1473 O HOH 191 12.429 16.218 6.966 1.00 24.52 O HETATM 1474 O HOH 192 -8.845 20.231 16.371 1.00 25.42 O HETATM 1475 O HOH 193 -20.186 21.819 1.198 1.00 15.45 O HETATM 1476 O1 DAO A 194 -6.875 15.890 15.237 1.00 -0.57 O HETATM 1477 C1 DAO A 194 -5.793 16.501 15.173 1.00 0.03 C HETATM 1478 O2 DAO A 194 -4.800 16.237 15.902 1.00 -0.57 O HETATM 1479 C2 DAO A 194 -5.622 17.580 14.129 1.00 0.00 C HETATM 1480 C3 DAO A 194 -6.823 17.999 13.380 1.00 -0.04 C HETATM 1481 C4 DAO A 194 -6.652 19.167 12.431 1.00 -0.05 C HETATM 1482 C5 DAO A 194 -7.943 19.698 11.850 1.00 -0.05 C HETATM 1483 C6 DAO A 194 -7.774 20.734 10.754 1.00 -0.05 C HETATM 1484 C7 DAO A 194 -6.974 21.930 11.119 1.00 -0.05 C HETATM 1485 C8 DAO A 194 -7.538 22.737 12.240 1.00 -0.05 C HETATM 1486 C9 DAO A 194 -6.680 23.913 12.648 1.00 -0.05 C HETATM 1487 C10 DAO A 194 -7.253 24.766 13.787 1.00 -0.05 C HETATM 1488 C11 DAO A 194 -7.420 24.081 15.121 1.00 -0.06 C HETATM 1489 C12 DAO A 194 -7.937 25.082 16.104 1.00 -0.07 C HETATM 1490 H21 DAO A 194 -8.066 24.600 17.085 1.00 0.02 H HETATM 1491 H22 DAO A 194 -8.906 25.471 15.757 1.00 0.02 H HETATM 1492 H23 DAO A 194 -7.220 25.912 16.194 1.00 0.02 H HETATM 1493 H19 DAO A 194 -6.450 23.692 15.463 1.00 0.03 H HETATM 1494 H20 DAO A 194 -8.135 23.251 15.025 1.00 0.03 H HETATM 1495 H17 DAO A 194 -8.243 25.126 13.470 1.00 0.03 H HETATM 1496 H18 DAO A 194 -6.580 25.624 13.934 1.00 0.03 H HETATM 1497 H15 DAO A 194 -6.548 24.561 11.769 1.00 0.03 H HETATM 1498 H16 DAO A 194 -5.701 23.527 12.969 1.00 0.03 H HETATM 1499 H13 DAO A 194 -7.659 22.078 13.113 1.00 0.03 H HETATM 1500 H14 DAO A 194 -8.522 23.119 11.930 1.00 0.03 H HETATM 1501 H11 DAO A 194 -6.902 22.578 10.233 1.00 0.03 H HETATM 1502 H12 DAO A 194 -5.968 21.594 11.411 1.00 0.03 H HETATM 1503 H9 DAO A 194 -8.776 21.076 10.454 1.00 0.03 H HETATM 1504 H10 DAO A 194 -7.282 20.246 9.900 1.00 0.03 H HETATM 1505 H7 DAO A 194 -8.522 20.155 12.666 1.00 0.03 H HETATM 1506 H8 DAO A 194 -8.505 18.849 11.433 1.00 0.03 H HETATM 1507 H5 DAO A 194 -6.009 18.843 11.600 1.00 0.03 H HETATM 1508 H6 DAO A 194 -6.160 19.985 12.978 1.00 0.03 H HETATM 1509 H3 DAO A 194 -7.596 18.274 14.113 1.00 0.03 H HETATM 1510 H4 DAO A 194 -7.167 17.137 12.790 1.00 0.03 H HETATM 1511 H1 DAO A 194 -4.887 17.216 13.396 1.00 0.04 H HETATM 1512 H2 DAO A 194 -5.223 18.470 14.637 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1476 1477 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 1480 1511 1512 CONECT 1480 1479 1481 1509 1510 CONECT 1481 1480 1482 1507 1508 CONECT 1482 1481 1483 1505 1506 CONECT 1483 1482 1484 1503 1504 CONECT 1484 1483 1485 1501 1502 CONECT 1485 1484 1486 1499 1500 CONECT 1486 1485 1487 1497 1498 CONECT 1487 1486 1488 1495 1496 CONECT 1488 1487 1489 1493 1494 CONECT 1489 1488 1490 1491 1492 CONECT 1490 1489 CONECT 1491 1489 CONECT 1492 1489 CONECT 1493 1488 CONECT 1494 1488 CONECT 1495 1487 CONECT 1496 1487 CONECT 1497 1486 CONECT 1498 1486 CONECT 1499 1485 CONECT 1500 1485 CONECT 1501 1484 CONECT 1502 1484 CONECT 1503 1483 CONECT 1504 1483 CONECT 1505 1482 CONECT 1506 1482 CONECT 1507 1481 CONECT 1508 1481 CONECT 1509 1480 CONECT 1510 1480 CONECT 1511 1479 CONECT 1512 1479 MASTER 0 0 0 0 0 0 0 0 1511 1 41 11 END
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Structure:
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Related entries of code: 4tkb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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RCSB PDB
PDBbind
132aa, >1HMR_1|Chain... at 100%
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PDBbind
132aa, >1HMS_1|Chain... at 100%
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RCSB PDB
PDBbind
132aa, >1HMT_1|Chain... at 100%
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RCSB PDB
PDBbind
132aa, >2HMB_1|Chain... at 100%
3wvm
RCSB PDB
PDBbind
133aa, >3WVM_1|Chain... at 100%
4tjz
RCSB PDB
PDBbind
133aa, >4TJZ_1|Chain... at 100%
4tkh
RCSB PDB
PDBbind
133aa, >4TKH_1|Chain... at 100%
4tkj
RCSB PDB
PDBbind
133aa, >4TKJ_1|Chain... at 100%
5hz9
RCSB PDB
PDBbind
135aa, >5HZ9_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
2qhd
RCSB PDB
PDBbind
DAO
3ueu
RCSB PDB
PDBbind
DAO
3uil
RCSB PDB
PDBbind
DAO
5fus
RCSB PDB
PDBbind
DAO
Entry Information
PDB ID
4tkb
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human heart fatty acid-binding protein
Ligand Name
DAO
EC.Number
E.C.-.-.-.-
Resolution
0.86(Å)
Affinity (Kd/Ki/IC50)
Kd=2.56uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Angew.Chem.Int.Ed.Engl. Vol. 54: pp. 1508-1511
Ligand Properties
Formula
C
1
2
H
2
4
O
2
Molecular Weight
200.318
Exact Mass
200.178
No. of atoms
38
No. of bonds
37
Polar Surface Area
37.3
LOGP Value
6.39 (
Computed with XLOGP3
)
3.99 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCC(=O)O
InChI String
InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3,(H,13,14)
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):
P05413
Entrez Gene ID
NCBI Entrez Gene ID:
2170
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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