Browse entries in the PDBbind-CN Database
HEADER 3R1V_COMPLEX COMPND 3R1V_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 124 PHE GLU ILE PRO ASP ARG TYR LYS LYS PRO ALA LYS MET SEQRES 2 A 124 LEU HIS GLU ILE CYS ILE ALA GLU SER GLY ALA SER GLU SEQRES 3 A 124 GLU GLN LEU ARG THR CYS LEU ASP GLY THR VAL PRO THR SEQRES 4 A 124 ALA PRO ALA ALA LYS CYS TYR ILE HIS CYS LEU PHE ASP SEQRES 5 A 124 LYS ILE ASP VAL VAL ASP GLU ALA THR GLY ARG ILE LEU SEQRES 6 A 124 LEU ASP ARG LEU LEU TYR ILE ILE PRO ASP ASP VAL LYS SEQRES 7 A 124 ALA ALA VAL ASP HIS LEU THR ARG GLU CYS SER HIS ILE SEQRES 8 A 124 VAL THR PRO ASP LYS CYS GLU THR ALA TYR GLU THR VAL SEQRES 9 A 124 LYS CYS TYR PHE ASN ALA HIS ASP GLU VAL ILE LYS PHE SEQRES 10 A 124 CYS HIS LEU LEU VAL LEU GLU HET AZB A 153 34 SSBOND 1 CYS A 21 CYS A 52 SSBOND 2 CYS A 48 CYS A 100 SSBOND 3 CYS A 91 CYS A 109 SSBOND 4 CYS A 35 CYS A 121 ATOM 1 N PHE A 4 12.784 -15.645 21.696 1.00 54.25 N ATOM 2 CA PHE A 4 12.227 -16.790 20.979 1.00 54.06 C ATOM 3 C PHE A 4 10.735 -16.950 21.246 1.00 57.67 C ATOM 4 O PHE A 4 9.976 -17.132 20.313 1.00 57.24 O ATOM 5 CB PHE A 4 12.976 -18.061 21.345 1.00 54.80 C ATOM 6 HA PHE A 4 12.351 -16.605 19.912 1.00 0.00 H ATOM 7 HB2 PHE A 4 14.027 -17.952 21.078 1.00 0.00 H ATOM 8 HB3 PHE A 4 12.889 -18.237 22.417 1.00 0.00 H ATOM 9 HN3 PHE A 4 12.646 -15.777 22.718 1.00 0.00 H ATOM 10 HN2 PHE A 4 12.301 -14.777 21.389 1.00 0.00 H ATOM 11 HN1 PHE A 4 13.800 -15.569 21.489 1.00 0.00 H ATOM 12 N GLU A 5 10.306 -16.908 22.500 1.00 54.04 N ATOM 13 CA GLU A 5 8.887 -16.973 22.826 1.00 53.72 C ATOM 14 C GLU A 5 8.660 -15.897 23.863 1.00 57.07 C ATOM 15 O GLU A 5 9.442 -15.769 24.808 1.00 56.62 O ATOM 16 CB GLU A 5 8.509 -18.346 23.364 1.00 54.43 C ATOM 17 HA GLU A 5 8.265 -16.816 21.944 1.00 0.00 H ATOM 18 HB2 GLU A 5 8.729 -19.103 22.611 1.00 0.00 H ATOM 19 HB3 GLU A 5 9.084 -18.552 24.267 1.00 0.00 H ATOM 20 H GLU A 5 11.000 -16.827 23.270 1.00 0.00 H ATOM 21 N ILE A 6 7.653 -15.059 23.633 1.00 53.24 N ATOM 22 CA ILE A 6 7.318 -13.948 24.517 1.00 52.86 C ATOM 23 C ILE A 6 6.552 -14.527 25.698 1.00 56.24 C ATOM 24 O ILE A 6 5.560 -15.220 25.467 1.00 55.71 O ATOM 25 CB ILE A 6 6.525 -12.809 23.793 1.00 56.00 C ATOM 26 CG1 ILE A 6 7.028 -12.565 22.354 1.00 56.45 C ATOM 27 CG2 ILE A 6 6.485 -11.520 24.622 1.00 56.74 C ATOM 28 CD1 ILE A 6 6.239 -13.403 21.318 1.00 64.24 C ATOM 29 HA ILE A 6 8.232 -13.463 24.860 1.00 0.00 H ATOM 30 HB ILE A 6 5.495 -13.155 23.702 1.00 0.00 H ATOM 31 HG12 ILE A 6 6.913 -11.508 22.114 1.00 0.00 H ATOM 32 HG13 ILE A 6 8.082 -12.836 22.298 1.00 0.00 H ATOM 33 HD11 ILE A 6 6.354 -14.463 21.546 1.00 0.00 H ATOM 34 HD12 ILE A 6 5.184 -13.133 21.362 1.00 0.00 H ATOM 35 HD13 ILE A 6 6.625 -13.201 20.319 1.00 0.00 H ATOM 36 HG21 ILE A 6 6.000 -11.719 25.577 1.00 0.00 H ATOM 37 HG22 ILE A 6 7.502 -11.170 24.796 1.00 0.00 H ATOM 38 HG23 ILE A 6 5.925 -10.758 24.080 1.00 0.00 H ATOM 39 H ILE A 6 7.076 -15.203 22.780 1.00 0.00 H ATOM 40 N PRO A 7 7.010 -14.278 26.952 1.00 52.48 N ATOM 41 CA PRO A 7 6.293 -14.811 28.131 1.00 52.13 C ATOM 42 C PRO A 7 4.784 -14.615 28.038 1.00 55.33 C ATOM 43 O PRO A 7 4.337 -13.543 27.619 1.00 55.03 O ATOM 44 CB PRO A 7 6.875 -14.007 29.296 1.00 53.94 C ATOM 45 CG PRO A 7 8.212 -13.579 28.836 1.00 58.42 C ATOM 46 CD PRO A 7 8.190 -13.480 27.345 1.00 54.00 C ATOM 47 HA PRO A 7 6.426 -15.888 28.234 1.00 0.00 H ATOM 48 HD3 PRO A 7 8.081 -12.443 27.027 1.00 0.00 H ATOM 49 HD2 PRO A 7 9.101 -13.897 26.915 1.00 0.00 H ATOM 50 HG3 PRO A 7 8.959 -14.310 29.146 1.00 0.00 H ATOM 51 HG2 PRO A 7 8.456 -12.608 29.266 1.00 0.00 H ATOM 52 HB2 PRO A 7 6.250 -13.141 29.515 1.00 0.00 H ATOM 53 HB3 PRO A 7 6.957 -14.629 30.188 1.00 0.00 H ATOM 54 N ASP A 8 4.005 -15.659 28.391 1.00 51.24 N ATOM 55 CA ASP A 8 2.539 -15.648 28.330 1.00 50.72 C ATOM 56 C ASP A 8 1.879 -14.479 29.074 1.00 53.36 C ATOM 57 O ASP A 8 0.777 -14.076 28.707 1.00 52.89 O ATOM 58 CB ASP A 8 1.951 -17.001 28.758 1.00 52.69 C ATOM 59 CG ASP A 8 2.193 -18.106 27.748 1.00 63.50 C ATOM 60 OD1 ASP A 8 1.316 -18.321 26.878 1.00 63.94 O ATOM 61 OD2 ASP A 8 3.255 -18.760 27.828 1.00 70.03 O ATOM 62 HA ASP A 8 2.296 -15.483 27.280 1.00 0.00 H ATOM 63 HB2 ASP A 8 2.405 -17.292 29.705 1.00 0.00 H ATOM 64 HB3 ASP A 8 0.876 -16.884 28.893 1.00 0.00 H ATOM 65 H ASP A 8 4.473 -16.525 28.727 1.00 0.00 H ATOM 66 N ARG A 9 2.568 -13.905 30.072 1.00 48.98 N ATOM 67 CA ARG A 9 2.093 -12.773 30.874 1.00 48.41 C ATOM 68 C ARG A 9 1.944 -11.439 30.108 1.00 51.27 C ATOM 69 O ARG A 9 1.296 -10.523 30.619 1.00 50.69 O ATOM 70 CB ARG A 9 2.985 -12.582 32.106 1.00 48.79 C ATOM 71 CG ARG A 9 4.442 -12.364 31.746 1.00 59.66 C ATOM 72 CD ARG A 9 5.098 -11.414 32.701 1.00 69.75 C ATOM 73 NE ARG A 9 6.445 -11.871 33.031 1.00 78.75 N ATOM 74 CZ ARG A 9 7.265 -11.230 33.853 1.00 93.39 C ATOM 75 NH1 ARG A 9 6.891 -10.098 34.434 1.00 80.79 N ATOM 76 NH2 ARG A 9 8.473 -11.721 34.103 1.00 80.35 N ATOM 77 HA ARG A 9 1.080 -13.043 31.173 1.00 0.00 H ATOM 78 HB2 ARG A 9 2.630 -11.715 32.663 1.00 0.00 H ATOM 79 HB3 ARG A 9 2.910 -13.471 32.733 1.00 0.00 H ATOM 80 HG2 ARG A 9 4.964 -13.320 31.780 1.00 0.00 H ATOM 81 HG3 ARG A 9 4.502 -11.954 30.738 1.00 0.00 H ATOM 82 HD2 ARG A 9 4.505 -11.355 33.614 1.00 0.00 H ATOM 83 HD3 ARG A 9 5.156 -10.427 32.243 1.00 0.00 H ATOM 84 HE ARG A 9 6.782 -12.753 32.595 1.00 0.00 H ATOM 85 HH12 ARG A 9 7.542 -9.604 35.077 1.00 0.00 H ATOM 86 HH11 ARG A 9 5.947 -9.705 34.247 1.00 0.00 H ATOM 87 HH22 ARG A 9 9.116 -11.218 34.748 1.00 0.00 H ATOM 88 HH21 ARG A 9 8.777 -12.609 33.654 1.00 0.00 H ATOM 89 H ARG A 9 3.508 -14.291 30.293 1.00 0.00 H ATOM 90 N TYR A 10 2.576 -11.313 28.921 1.00 47.07 N ATOM 91 CA TYR A 10 2.490 -10.098 28.101 1.00 46.45 C ATOM 92 C TYR A 10 1.324 -10.137 27.144 1.00 49.22 C ATOM 93 O TYR A 10 0.969 -9.105 26.569 1.00 48.60 O ATOM 94 CB TYR A 10 3.787 -9.854 27.326 1.00 47.65 C ATOM 95 CG TYR A 10 4.948 -9.472 28.209 1.00 49.43 C ATOM 96 CD1 TYR A 10 4.935 -8.289 28.939 1.00 51.46 C ATOM 97 CD2 TYR A 10 6.071 -10.283 28.302 1.00 50.16 C ATOM 98 CE1 TYR A 10 6.003 -7.936 29.765 1.00 52.38 C ATOM 99 CE2 TYR A 10 7.150 -9.936 29.116 1.00 51.06 C ATOM 100 CZ TYR A 10 7.110 -8.761 29.846 1.00 58.66 C ATOM 101 OH TYR A 10 8.168 -8.418 30.640 1.00 59.43 O ATOM 102 HA TYR A 10 2.331 -9.272 28.794 1.00 0.00 H ATOM 103 HB3 TYR A 10 3.617 -9.049 26.611 1.00 0.00 H ATOM 104 HB2 TYR A 10 4.046 -10.767 26.789 1.00 0.00 H ATOM 105 HD2 TYR A 10 6.111 -11.209 27.728 1.00 0.00 H ATOM 106 HE2 TYR A 10 8.021 -10.588 29.177 1.00 0.00 H ATOM 107 HE1 TYR A 10 5.965 -7.013 30.344 1.00 0.00 H ATOM 108 HD1 TYR A 10 4.074 -7.624 28.865 1.00 0.00 H ATOM 109 HH TYR A 10 7.977 -7.556 31.088 1.00 0.00 H ATOM 110 H TYR A 10 3.147 -12.110 28.573 1.00 0.00 H ATOM 111 N LYS A 11 0.732 -11.325 26.968 1.00 45.08 N ATOM 112 CA LYS A 11 -0.397 -11.565 26.082 1.00 44.53 C ATOM 113 C LYS A 11 -1.624 -10.718 26.443 1.00 47.19 C ATOM 114 O LYS A 11 -2.120 -9.974 25.590 1.00 46.52 O ATOM 115 CB LYS A 11 -0.705 -13.078 26.006 1.00 47.14 C ATOM 116 CG LYS A 11 -2.053 -13.461 25.395 1.00 62.88 C ATOM 117 CD LYS A 11 -2.361 -12.684 24.128 1.00 73.49 C ATOM 118 CE LYS A 11 -2.268 -13.567 22.964 1.00 84.57 C ATOM 119 NZ LYS A 11 -1.710 -12.877 21.795 1.00 93.92 N ATOM 120 HA LYS A 11 -0.116 -11.236 25.082 1.00 0.00 H ATOM 121 HB2 LYS A 11 0.077 -13.548 25.409 1.00 0.00 H ATOM 122 HB3 LYS A 11 -0.674 -13.476 27.020 1.00 0.00 H ATOM 123 HG2 LYS A 11 -2.040 -14.525 25.158 1.00 0.00 H ATOM 124 HG3 LYS A 11 -2.837 -13.263 26.126 1.00 0.00 H ATOM 125 HD2 LYS A 11 -3.369 -12.275 24.191 1.00 0.00 H ATOM 126 HD3 LYS A 11 -1.645 -11.869 24.021 1.00 0.00 H ATOM 127 HE2 LYS A 11 -3.266 -13.930 22.716 1.00 0.00 H ATOM 128 HE3 LYS A 11 -1.627 -14.413 23.213 1.00 0.00 H ATOM 129 HZ1 LYS A 11 -2.320 -12.072 21.545 1.00 0.00 H ATOM 130 HZ2 LYS A 11 -0.755 -12.533 22.020 1.00 0.00 H ATOM 131 HZ3 LYS A 11 -1.662 -13.538 20.994 1.00 0.00 H ATOM 132 H LYS A 11 1.106 -12.135 27.503 1.00 0.00 H ATOM 133 N LYS A 12 -2.114 -10.845 27.687 1.00 43.05 N ATOM 134 CA LYS A 12 -3.277 -10.122 28.199 1.00 42.49 C ATOM 135 C LYS A 12 -3.154 -8.595 27.975 1.00 44.91 C ATOM 136 O LYS A 12 -4.028 -8.055 27.298 1.00 44.18 O ATOM 137 CB LYS A 12 -3.559 -10.464 29.680 1.00 45.36 C ATOM 138 CG LYS A 12 -3.022 -11.825 30.145 1.00 63.89 C ATOM 139 CD LYS A 12 -4.022 -12.963 29.938 1.00 75.75 C ATOM 140 CE LYS A 12 -4.792 -13.293 31.195 1.00 88.75 C ATOM 141 NZ LYS A 12 -5.760 -12.222 31.562 1.00 98.88 N ATOM 142 HA LYS A 12 -4.139 -10.459 27.623 1.00 0.00 H ATOM 143 HB2 LYS A 12 -3.103 -9.691 30.299 1.00 0.00 H ATOM 144 HB3 LYS A 12 -4.639 -10.457 29.829 1.00 0.00 H ATOM 145 HG2 LYS A 12 -2.116 -12.052 29.583 1.00 0.00 H ATOM 146 HG3 LYS A 12 -2.783 -11.760 31.207 1.00 0.00 H ATOM 147 HD2 LYS A 12 -4.729 -12.671 29.161 1.00 0.00 H ATOM 148 HD3 LYS A 12 -3.479 -13.852 29.617 1.00 0.00 H ATOM 149 HE2 LYS A 12 -4.086 -13.424 32.015 1.00 0.00 H ATOM 150 HE3 LYS A 12 -5.340 -14.222 31.037 1.00 0.00 H ATOM 151 HZ1 LYS A 12 -5.246 -11.332 31.722 1.00 0.00 H ATOM 152 HZ2 LYS A 12 -6.444 -12.094 30.789 1.00 0.00 H ATOM 153 HZ3 LYS A 12 -6.264 -12.494 32.430 1.00 0.00 H ATOM 154 H LYS A 12 -1.632 -11.504 28.331 1.00 0.00 H ATOM 155 N PRO A 13 -2.073 -7.897 28.431 1.00 40.75 N ATOM 156 CA PRO A 13 -1.980 -6.446 28.169 1.00 40.34 C ATOM 157 C PRO A 13 -1.867 -6.079 26.693 1.00 43.56 C ATOM 158 O PRO A 13 -2.394 -5.038 26.302 1.00 43.12 O ATOM 159 CB PRO A 13 -0.740 -5.988 28.952 1.00 42.13 C ATOM 160 CG PRO A 13 -0.232 -7.143 29.663 1.00 46.61 C ATOM 161 CD PRO A 13 -0.931 -8.376 29.244 1.00 42.20 C ATOM 162 HA PRO A 13 -2.897 -5.949 28.484 1.00 0.00 H ATOM 163 HD3 PRO A 13 -0.273 -9.009 28.649 1.00 0.00 H ATOM 164 HD2 PRO A 13 -1.283 -8.934 30.112 1.00 0.00 H ATOM 165 HG3 PRO A 13 -0.379 -6.996 30.733 1.00 0.00 H ATOM 166 HG2 PRO A 13 0.833 -7.249 29.456 1.00 0.00 H ATOM 167 HB2 PRO A 13 0.017 -5.609 28.265 1.00 0.00 H ATOM 168 HB3 PRO A 13 -1.013 -5.204 29.659 1.00 0.00 H ATOM 169 N ALA A 14 -1.193 -6.926 25.881 1.00 39.70 N ATOM 170 CA ALA A 14 -1.027 -6.717 24.439 1.00 39.38 C ATOM 171 C ALA A 14 -2.368 -6.829 23.721 1.00 42.74 C ATOM 172 O ALA A 14 -2.628 -6.030 22.824 1.00 42.42 O ATOM 173 CB ALA A 14 -0.030 -7.707 23.862 1.00 40.12 C ATOM 174 HA ALA A 14 -0.637 -5.711 24.285 1.00 0.00 H ATOM 175 HB1 ALA A 14 0.935 -7.575 24.350 1.00 0.00 H ATOM 176 HB2 ALA A 14 -0.388 -8.722 24.032 1.00 0.00 H ATOM 177 HB3 ALA A 14 0.076 -7.532 22.791 1.00 0.00 H ATOM 178 H ALA A 14 -0.768 -7.775 26.305 1.00 0.00 H ATOM 179 N LYS A 15 -3.231 -7.786 24.145 1.00 38.84 N ATOM 180 CA LYS A 15 -4.582 -7.985 23.601 1.00 38.58 C ATOM 181 C LYS A 15 -5.423 -6.732 23.891 1.00 41.58 C ATOM 182 O LYS A 15 -6.151 -6.261 23.012 1.00 41.09 O ATOM 183 CB LYS A 15 -5.240 -9.239 24.217 1.00 41.45 C ATOM 184 CG LYS A 15 -6.649 -9.534 23.693 1.00 59.35 C ATOM 185 CD LYS A 15 -7.270 -10.749 24.364 1.00 71.31 C ATOM 186 CE LYS A 15 -8.518 -11.214 23.651 1.00 84.28 C ATOM 187 NZ LYS A 15 -9.755 -10.817 24.374 1.00 94.55 N ATOM 188 HA LYS A 15 -4.521 -8.141 22.524 1.00 0.00 H ATOM 189 HB2 LYS A 15 -4.607 -10.099 23.998 1.00 0.00 H ATOM 190 HB3 LYS A 15 -5.299 -9.098 25.296 1.00 0.00 H ATOM 191 HG2 LYS A 15 -7.282 -8.667 23.881 1.00 0.00 H ATOM 192 HG3 LYS A 15 -6.594 -9.716 22.620 1.00 0.00 H ATOM 193 HD2 LYS A 15 -6.542 -11.561 24.366 1.00 0.00 H ATOM 194 HD3 LYS A 15 -7.527 -10.491 25.391 1.00 0.00 H ATOM 195 HE2 LYS A 15 -8.492 -12.301 23.568 1.00 0.00 H ATOM 196 HE3 LYS A 15 -8.537 -10.775 22.653 1.00 0.00 H ATOM 197 HZ1 LYS A 15 -9.749 -11.237 25.325 1.00 0.00 H ATOM 198 HZ2 LYS A 15 -9.792 -9.781 24.451 1.00 0.00 H ATOM 199 HZ3 LYS A 15 -10.586 -11.157 23.849 1.00 0.00 H ATOM 200 H LYS A 15 -2.916 -8.421 24.906 1.00 0.00 H ATOM 201 N MET A 16 -5.285 -6.188 25.118 1.00 37.75 N ATOM 202 CA MET A 16 -5.970 -4.979 25.579 1.00 37.49 C ATOM 203 C MET A 16 -5.490 -3.759 24.794 1.00 39.80 C ATOM 204 O MET A 16 -6.311 -2.933 24.393 1.00 39.27 O ATOM 205 CB MET A 16 -5.764 -4.776 27.089 1.00 40.11 C ATOM 206 CG MET A 16 -6.408 -5.857 27.936 1.00 44.18 C ATOM 207 SD MET A 16 -6.919 -5.263 29.561 1.00 48.86 S ATOM 208 CE MET A 16 -8.422 -4.421 29.120 1.00 45.65 C ATOM 209 HA MET A 16 -7.038 -5.101 25.400 1.00 0.00 H ATOM 210 HB2 MET A 16 -4.693 -4.768 27.294 1.00 0.00 H ATOM 211 HB3 MET A 16 -6.194 -3.815 27.370 1.00 0.00 H ATOM 212 HG2 MET A 16 -5.691 -6.667 28.071 1.00 0.00 H ATOM 213 HG3 MET A 16 -7.286 -6.234 27.411 1.00 0.00 H ATOM 214 HE1 MET A 16 -8.197 -3.627 28.408 1.00 0.00 H ATOM 215 HE2 MET A 16 -9.115 -5.130 28.668 1.00 0.00 H ATOM 216 HE3 MET A 16 -8.872 -3.991 30.015 1.00 0.00 H ATOM 217 H MET A 16 -4.645 -6.663 25.786 1.00 0.00 H ATOM 218 N LEU A 17 -4.164 -3.674 24.549 1.00 35.46 N ATOM 219 CA LEU A 17 -3.508 -2.609 23.782 1.00 34.85 C ATOM 220 C LEU A 17 -4.023 -2.611 22.340 1.00 37.10 C ATOM 221 O LEU A 17 -4.355 -1.555 21.806 1.00 36.38 O ATOM 222 CB LEU A 17 -1.986 -2.831 23.780 1.00 35.01 C ATOM 223 CG LEU A 17 -1.138 -1.710 24.345 1.00 40.02 C ATOM 224 CD1 LEU A 17 -0.594 -2.082 25.684 1.00 40.31 C ATOM 225 CD2 LEU A 17 0.029 -1.436 23.446 1.00 43.02 C ATOM 226 HA LEU A 17 -3.735 -1.649 24.245 1.00 0.00 H ATOM 227 HB2 LEU A 17 -1.781 -3.728 24.364 1.00 0.00 H ATOM 228 HB3 LEU A 17 -1.676 -2.993 22.748 1.00 0.00 H ATOM 229 HG LEU A 17 -1.775 -0.830 24.428 1.00 0.00 H ATOM 230 HD21 LEU A 17 0.639 -2.335 23.360 1.00 0.00 H ATOM 231 HD22 LEU A 17 -0.334 -1.146 22.460 1.00 0.00 H ATOM 232 HD23 LEU A 17 0.628 -0.628 23.866 1.00 0.00 H ATOM 233 HD11 LEU A 17 -1.419 -2.279 26.368 1.00 0.00 H ATOM 234 HD12 LEU A 17 0.022 -2.976 25.589 1.00 0.00 H ATOM 235 HD13 LEU A 17 0.011 -1.262 26.069 1.00 0.00 H ATOM 236 H LEU A 17 -3.558 -4.426 24.936 1.00 0.00 H ATOM 237 N HIS A 18 -4.107 -3.815 21.740 1.00 32.90 N ATOM 238 CA HIS A 18 -4.573 -4.102 20.383 1.00 32.35 C ATOM 239 C HIS A 18 -6.019 -3.638 20.163 1.00 35.39 C ATOM 240 O HIS A 18 -6.297 -2.988 19.155 1.00 34.94 O ATOM 241 CB HIS A 18 -4.420 -5.612 20.109 1.00 33.05 C ATOM 242 CG HIS A 18 -4.983 -6.088 18.810 1.00 36.35 C ATOM 243 ND1 HIS A 18 -4.278 -5.960 17.630 1.00 38.04 N ATOM 244 CD2 HIS A 18 -6.146 -6.728 18.558 1.00 38.06 C ATOM 245 CE1 HIS A 18 -5.040 -6.504 16.697 1.00 37.47 C ATOM 246 NE2 HIS A 18 -6.172 -6.982 17.210 1.00 37.81 N ATOM 247 HA HIS A 18 -3.961 -3.542 19.676 1.00 0.00 H ATOM 248 HB2 HIS A 18 -3.356 -5.850 20.122 1.00 0.00 H ATOM 249 HB3 HIS A 18 -4.922 -6.152 20.912 1.00 0.00 H ATOM 250 HD2 HIS A 18 -6.914 -6.991 19.285 1.00 0.00 H ATOM 251 HE1 HIS A 18 -4.775 -6.555 15.641 1.00 0.00 H ATOM 252 H HIS A 18 -3.806 -4.634 22.306 1.00 0.00 H ATOM 253 N GLU A 19 -6.921 -3.960 21.113 1.00 31.55 N ATOM 254 CA GLU A 19 -8.344 -3.603 21.066 1.00 31.21 C ATOM 255 C GLU A 19 -8.580 -2.093 21.199 1.00 33.73 C ATOM 256 O GLU A 19 -9.432 -1.550 20.490 1.00 33.21 O ATOM 257 CB GLU A 19 -9.144 -4.397 22.115 1.00 32.80 C ATOM 258 CG GLU A 19 -9.300 -5.870 21.765 1.00 45.18 C ATOM 259 CD GLU A 19 -9.791 -6.801 22.860 1.00 70.79 C ATOM 260 OE1 GLU A 19 -9.623 -6.477 24.060 1.00 67.93 O ATOM 261 OE2 GLU A 19 -10.307 -7.888 22.511 1.00 67.17 O ATOM 262 HA GLU A 19 -8.710 -3.881 20.078 1.00 0.00 H ATOM 263 HB2 GLU A 19 -8.629 -4.321 23.073 1.00 0.00 H ATOM 264 HB3 GLU A 19 -10.136 -3.955 22.201 1.00 0.00 H ATOM 265 HG2 GLU A 19 -10.007 -5.937 20.938 1.00 0.00 H ATOM 266 HG3 GLU A 19 -8.326 -6.234 21.439 1.00 0.00 H ATOM 267 H GLU A 19 -6.585 -4.499 21.936 1.00 0.00 H ATOM 268 N ILE A 20 -7.817 -1.419 22.091 1.00 29.26 N ATOM 269 CA ILE A 20 -7.896 0.036 22.297 1.00 28.81 C ATOM 270 C ILE A 20 -7.400 0.750 21.026 1.00 31.29 C ATOM 271 O ILE A 20 -8.041 1.694 20.557 1.00 30.83 O ATOM 272 CB ILE A 20 -7.126 0.484 23.584 1.00 32.20 C ATOM 273 CG1 ILE A 20 -7.836 -0.019 24.865 1.00 32.96 C ATOM 274 CG2 ILE A 20 -6.932 2.015 23.638 1.00 32.97 C ATOM 275 CD1 ILE A 20 -6.934 -0.127 26.121 1.00 41.35 C ATOM 276 HA ILE A 20 -8.934 0.322 22.468 1.00 0.00 H ATOM 277 HB ILE A 20 -6.137 0.028 23.536 1.00 0.00 H ATOM 278 HG12 ILE A 20 -8.650 0.670 25.092 1.00 0.00 H ATOM 279 HG13 ILE A 20 -8.246 -1.008 24.658 1.00 0.00 H ATOM 280 HD11 ILE A 20 -6.120 -0.824 25.923 1.00 0.00 H ATOM 281 HD12 ILE A 20 -6.524 0.855 26.358 1.00 0.00 H ATOM 282 HD13 ILE A 20 -7.526 -0.488 26.962 1.00 0.00 H ATOM 283 HG21 ILE A 20 -6.360 2.338 22.768 1.00 0.00 H ATOM 284 HG22 ILE A 20 -7.906 2.504 23.636 1.00 0.00 H ATOM 285 HG23 ILE A 20 -6.393 2.280 24.548 1.00 0.00 H ATOM 286 H ILE A 20 -7.137 -1.960 22.663 1.00 0.00 H ATOM 287 N CYS A 21 -6.279 0.266 20.459 1.00 26.88 N ATOM 288 CA CYS A 21 -5.677 0.836 19.260 1.00 26.30 C ATOM 289 C CYS A 21 -6.416 0.593 17.954 1.00 30.51 C ATOM 290 O CYS A 21 -6.291 1.410 17.042 1.00 29.95 O ATOM 291 CB CYS A 21 -4.195 0.503 19.167 1.00 26.21 C ATOM 292 SG CYS A 21 -3.193 1.359 20.406 1.00 29.89 S ATOM 293 HA CYS A 21 -5.782 1.912 19.397 1.00 0.00 H ATOM 294 HB2 CYS A 21 -3.838 0.785 18.177 1.00 0.00 H ATOM 295 HB3 CYS A 21 -4.072 -0.571 19.304 1.00 0.00 H ATOM 296 H CYS A 21 -5.819 -0.557 20.899 1.00 0.00 H ATOM 297 N ILE A 22 -7.213 -0.491 17.870 1.00 27.81 N ATOM 298 CA ILE A 22 -8.049 -0.765 16.698 1.00 27.94 C ATOM 299 C ILE A 22 -9.203 0.247 16.701 1.00 32.32 C ATOM 300 O ILE A 22 -9.496 0.847 15.666 1.00 32.13 O ATOM 301 CB ILE A 22 -8.501 -2.255 16.638 1.00 31.18 C ATOM 302 CG1 ILE A 22 -7.440 -3.087 15.880 1.00 31.69 C ATOM 303 CG2 ILE A 22 -9.922 -2.430 16.037 1.00 31.97 C ATOM 304 CD1 ILE A 22 -7.789 -4.517 15.557 1.00 40.07 C ATOM 305 HA ILE A 22 -7.480 -0.632 15.778 1.00 0.00 H ATOM 306 HB ILE A 22 -8.575 -2.627 17.660 1.00 0.00 H ATOM 307 HG12 ILE A 22 -7.235 -2.578 14.938 1.00 0.00 H ATOM 308 HG13 ILE A 22 -6.536 -3.099 16.489 1.00 0.00 H ATOM 309 HD11 ILE A 22 -7.980 -5.061 16.482 1.00 0.00 H ATOM 310 HD12 ILE A 22 -8.680 -4.539 14.930 1.00 0.00 H ATOM 311 HD13 ILE A 22 -6.958 -4.981 15.026 1.00 0.00 H ATOM 312 HG21 ILE A 22 -10.643 -1.887 16.648 1.00 0.00 H ATOM 313 HG22 ILE A 22 -9.936 -2.036 15.021 1.00 0.00 H ATOM 314 HG23 ILE A 22 -10.181 -3.489 16.021 1.00 0.00 H ATOM 315 H ILE A 22 -7.235 -1.158 18.667 1.00 0.00 H ATOM 316 N ALA A 23 -9.805 0.470 17.890 1.00 29.23 N ATOM 317 CA ALA A 23 -10.904 1.411 18.109 1.00 29.27 C ATOM 318 C ALA A 23 -10.484 2.863 17.853 1.00 33.44 C ATOM 319 O ALA A 23 -11.262 3.627 17.281 1.00 33.27 O ATOM 320 CB ALA A 23 -11.441 1.261 19.525 1.00 30.05 C ATOM 321 HA ALA A 23 -11.689 1.171 17.392 1.00 0.00 H ATOM 322 HB1 ALA A 23 -11.805 0.243 19.668 1.00 0.00 H ATOM 323 HB2 ALA A 23 -10.643 1.467 20.239 1.00 0.00 H ATOM 324 HB3 ALA A 23 -12.259 1.965 19.679 1.00 0.00 H ATOM 325 H ALA A 23 -9.461 -0.068 18.711 1.00 0.00 H ATOM 326 N GLU A 24 -9.254 3.233 18.263 1.00 30.18 N ATOM 327 CA GLU A 24 -8.716 4.587 18.109 1.00 30.05 C ATOM 328 C GLU A 24 -8.282 4.936 16.687 1.00 33.72 C ATOM 329 O GLU A 24 -8.601 6.027 16.212 1.00 33.48 O ATOM 330 CB GLU A 24 -7.570 4.841 19.096 1.00 31.50 C ATOM 331 CG GLU A 24 -8.051 5.158 20.500 1.00 41.43 C ATOM 332 CD GLU A 24 -7.031 5.760 21.447 1.00 58.44 C ATOM 333 OE1 GLU A 24 -5.970 6.238 20.980 1.00 50.73 O ATOM 334 OE2 GLU A 24 -7.314 5.785 22.666 1.00 51.52 O ATOM 335 HA GLU A 24 -9.549 5.252 18.338 1.00 0.00 H ATOM 336 HB2 GLU A 24 -6.943 3.950 19.137 1.00 0.00 H ATOM 337 HB3 GLU A 24 -6.980 5.682 18.733 1.00 0.00 H ATOM 338 HG2 GLU A 24 -8.880 5.861 20.415 1.00 0.00 H ATOM 339 HG3 GLU A 24 -8.408 4.229 20.945 1.00 0.00 H ATOM 340 H GLU A 24 -8.652 2.515 18.715 1.00 0.00 H ATOM 341 N SER A 25 -7.540 4.033 16.022 1.00 29.96 N ATOM 342 CA SER A 25 -7.041 4.255 14.660 1.00 29.76 C ATOM 343 C SER A 25 -8.082 4.003 13.577 1.00 34.06 C ATOM 344 O SER A 25 -8.073 4.691 12.557 1.00 33.61 O ATOM 345 CB SER A 25 -5.806 3.403 14.394 1.00 32.63 C ATOM 346 OG SER A 25 -6.110 2.018 14.438 1.00 38.95 O ATOM 347 HA SER A 25 -6.784 5.313 14.609 1.00 0.00 H ATOM 348 HB2 SER A 25 -5.053 3.625 15.150 1.00 0.00 H ATOM 349 HB3 SER A 25 -5.412 3.648 13.408 1.00 0.00 H ATOM 350 HG SER A 25 -6.463 1.787 15.333 1.00 0.00 H ATOM 351 H SER A 25 -7.309 3.136 16.495 1.00 0.00 H ATOM 352 N GLY A 26 -8.942 3.011 13.799 1.00 31.01 N ATOM 353 CA GLY A 26 -9.963 2.598 12.846 1.00 31.00 C ATOM 354 C GLY A 26 -9.475 1.483 11.944 1.00 35.29 C ATOM 355 O GLY A 26 -10.123 1.159 10.948 1.00 34.81 O ATOM 356 HA3 GLY A 26 -10.238 3.455 12.231 1.00 0.00 H ATOM 357 HA2 GLY A 26 -10.838 2.250 13.395 1.00 0.00 H ATOM 358 H GLY A 26 -8.881 2.502 14.704 1.00 0.00 H ATOM 359 N ALA A 27 -8.321 0.887 12.289 1.00 32.20 N ATOM 360 CA ALA A 27 -7.715 -0.205 11.534 1.00 32.39 C ATOM 361 C ALA A 27 -8.465 -1.508 11.746 1.00 37.28 C ATOM 362 O ALA A 27 -8.871 -1.811 12.872 1.00 37.02 O ATOM 363 CB ALA A 27 -6.257 -0.371 11.933 1.00 33.05 C ATOM 364 HA ALA A 27 -7.772 0.047 10.475 1.00 0.00 H ATOM 365 HB1 ALA A 27 -5.717 0.552 11.723 1.00 0.00 H ATOM 366 HB2 ALA A 27 -6.196 -0.595 12.998 1.00 0.00 H ATOM 367 HB3 ALA A 27 -5.816 -1.189 11.363 1.00 0.00 H ATOM 368 H ALA A 27 -7.832 1.223 13.143 1.00 0.00 H ATOM 369 N SER A 28 -8.662 -2.272 10.664 1.00 34.52 N ATOM 370 CA SER A 28 -9.317 -3.574 10.738 1.00 34.75 C ATOM 371 C SER A 28 -8.237 -4.640 10.927 1.00 39.61 C ATOM 372 O SER A 28 -7.080 -4.410 10.564 1.00 39.19 O ATOM 373 CB SER A 28 -10.146 -3.845 9.483 1.00 38.17 C ATOM 374 OG SER A 28 -9.345 -4.049 8.330 1.00 46.86 O ATOM 375 HA SER A 28 -10.007 -3.594 11.581 1.00 0.00 H ATOM 376 HB2 SER A 28 -10.801 -2.992 9.306 1.00 0.00 H ATOM 377 HB3 SER A 28 -10.750 -4.737 9.650 1.00 0.00 H ATOM 378 HG SER A 28 -9.930 -4.220 7.549 1.00 0.00 H ATOM 379 H SER A 28 -8.337 -1.925 9.739 1.00 0.00 H ATOM 380 N GLU A 29 -8.610 -5.796 11.506 1.00 37.04 N ATOM 381 CA GLU A 29 -7.705 -6.930 11.743 1.00 37.17 C ATOM 382 C GLU A 29 -7.154 -7.453 10.412 1.00 40.82 C ATOM 383 O GLU A 29 -5.987 -7.843 10.336 1.00 40.30 O ATOM 384 CB GLU A 29 -8.440 -8.057 12.480 1.00 38.76 C ATOM 385 CG GLU A 29 -9.007 -7.676 13.839 1.00 51.14 C ATOM 386 CD GLU A 29 -8.219 -8.116 15.059 1.00 74.81 C ATOM 387 OE1 GLU A 29 -7.173 -8.788 14.903 1.00 70.98 O ATOM 388 OE2 GLU A 29 -8.649 -7.772 16.184 1.00 70.08 O ATOM 389 HA GLU A 29 -6.876 -6.587 12.362 1.00 0.00 H ATOM 390 HB2 GLU A 29 -9.265 -8.390 11.851 1.00 0.00 H ATOM 391 HB3 GLU A 29 -7.740 -8.880 12.624 1.00 0.00 H ATOM 392 HG2 GLU A 29 -9.085 -6.589 13.871 1.00 0.00 H ATOM 393 HG3 GLU A 29 -10.003 -8.112 13.915 1.00 0.00 H ATOM 394 H GLU A 29 -9.601 -5.893 11.805 1.00 0.00 H ATOM 395 N GLU A 30 -8.011 -7.420 9.361 1.00 37.60 N ATOM 396 CA GLU A 30 -7.736 -7.814 7.977 1.00 37.53 C ATOM 397 C GLU A 30 -6.538 -7.026 7.424 1.00 40.85 C ATOM 398 O GLU A 30 -5.695 -7.604 6.736 1.00 40.35 O ATOM 399 CB GLU A 30 -8.989 -7.580 7.113 1.00 39.12 C ATOM 400 CG GLU A 30 -9.383 -8.768 6.241 1.00 51.51 C ATOM 401 CD GLU A 30 -9.054 -8.636 4.769 1.00 75.90 C ATOM 402 OE1 GLU A 30 -8.309 -9.495 4.242 1.00 71.84 O ATOM 403 OE2 GLU A 30 -9.627 -7.733 4.116 1.00 72.18 O ATOM 404 HA GLU A 30 -7.484 -8.874 7.950 1.00 0.00 H ATOM 405 HB2 GLU A 30 -9.823 -7.352 7.776 1.00 0.00 H ATOM 406 HB3 GLU A 30 -8.800 -6.726 6.462 1.00 0.00 H ATOM 407 HG2 GLU A 30 -8.868 -9.650 6.622 1.00 0.00 H ATOM 408 HG3 GLU A 30 -10.460 -8.909 6.333 1.00 0.00 H ATOM 409 H GLU A 30 -8.972 -7.076 9.560 1.00 0.00 H ATOM 410 N GLN A 31 -6.455 -5.716 7.756 1.00 36.95 N ATOM 411 CA GLN A 31 -5.376 -4.813 7.346 1.00 36.47 C ATOM 412 C GLN A 31 -4.069 -5.133 8.059 1.00 40.27 C ATOM 413 O GLN A 31 -3.012 -5.096 7.431 1.00 39.62 O ATOM 414 CB GLN A 31 -5.747 -3.352 7.635 1.00 37.64 C ATOM 415 CG GLN A 31 -6.788 -2.769 6.700 1.00 47.45 C ATOM 416 CD GLN A 31 -7.116 -1.350 7.070 1.00 61.85 C ATOM 417 OE1 GLN A 31 -7.416 -1.018 8.223 1.00 55.81 O ATOM 418 NE2 GLN A 31 -7.076 -0.483 6.088 1.00 54.20 N ATOM 419 HA GLN A 31 -5.239 -4.957 6.274 1.00 0.00 H ATOM 420 HB2 GLN A 31 -6.133 -3.294 8.653 1.00 0.00 H ATOM 421 HB3 GLN A 31 -4.842 -2.749 7.556 1.00 0.00 H ATOM 422 HG2 GLN A 31 -6.403 -2.791 5.680 1.00 0.00 H ATOM 423 HG3 GLN A 31 -7.695 -3.371 6.758 1.00 0.00 H ATOM 424 HE22 GLN A 31 -6.820 -0.795 5.129 1.00 0.00 H ATOM 425 HE21 GLN A 31 -7.300 0.517 6.267 1.00 0.00 H ATOM 426 H GLN A 31 -7.214 -5.321 8.347 1.00 0.00 H ATOM 427 N LEU A 32 -4.138 -5.419 9.371 1.00 37.36 N ATOM 428 CA LEU A 32 -2.965 -5.706 10.197 1.00 37.56 C ATOM 429 C LEU A 32 -2.314 -7.050 9.909 1.00 42.79 C ATOM 430 O LEU A 32 -1.090 -7.134 9.958 1.00 42.30 O ATOM 431 CB LEU A 32 -3.276 -5.566 11.699 1.00 37.54 C ATOM 432 CG LEU A 32 -3.920 -4.253 12.166 1.00 42.21 C ATOM 433 CD1 LEU A 32 -4.287 -4.326 13.630 1.00 42.43 C ATOM 434 CD2 LEU A 32 -3.022 -3.050 11.894 1.00 44.38 C ATOM 435 HA LEU A 32 -2.234 -4.948 9.916 1.00 0.00 H ATOM 436 HB2 LEU A 32 -3.952 -6.377 11.971 1.00 0.00 H ATOM 437 HB3 LEU A 32 -2.337 -5.681 12.240 1.00 0.00 H ATOM 438 HG LEU A 32 -4.833 -4.116 11.586 1.00 0.00 H ATOM 439 HD21 LEU A 32 -2.078 -3.175 12.425 1.00 0.00 H ATOM 440 HD22 LEU A 32 -2.831 -2.975 10.823 1.00 0.00 H ATOM 441 HD23 LEU A 32 -3.517 -2.143 12.240 1.00 0.00 H ATOM 442 HD11 LEU A 32 -4.995 -5.140 13.786 1.00 0.00 H ATOM 443 HD12 LEU A 32 -3.388 -4.507 14.220 1.00 0.00 H ATOM 444 HD13 LEU A 32 -4.741 -3.384 13.937 1.00 0.00 H ATOM 445 H LEU A 32 -5.075 -5.437 9.823 1.00 0.00 H ATOM 446 N ARG A 33 -3.117 -8.084 9.575 1.00 40.53 N ATOM 447 CA ARG A 33 -2.670 -9.460 9.292 1.00 40.94 C ATOM 448 C ARG A 33 -1.501 -9.613 8.291 1.00 45.52 C ATOM 449 O ARG A 33 -0.868 -10.668 8.270 1.00 45.12 O ATOM 450 CB ARG A 33 -3.863 -10.381 8.962 1.00 42.12 C ATOM 451 CG ARG A 33 -4.071 -10.608 7.474 1.00 54.90 C ATOM 452 CD ARG A 33 -5.434 -11.172 7.128 1.00 68.20 C ATOM 453 NE ARG A 33 -5.904 -10.838 5.772 1.00 80.25 N ATOM 454 CZ ARG A 33 -5.285 -11.091 4.621 1.00 96.57 C ATOM 455 NH1 ARG A 33 -4.126 -11.746 4.609 1.00 85.00 N ATOM 456 NH2 ARG A 33 -5.821 -10.703 3.473 1.00 84.11 N ATOM 457 HA ARG A 33 -2.221 -9.792 10.228 1.00 0.00 H ATOM 458 HB2 ARG A 33 -3.693 -11.347 9.437 1.00 0.00 H ATOM 459 HB3 ARG A 33 -4.768 -9.931 9.371 1.00 0.00 H ATOM 460 HG2 ARG A 33 -3.953 -9.654 6.960 1.00 0.00 H ATOM 461 HG3 ARG A 33 -3.311 -11.305 7.122 1.00 0.00 H ATOM 462 HD2 ARG A 33 -6.157 -10.783 7.845 1.00 0.00 H ATOM 463 HD3 ARG A 33 -5.386 -12.257 7.215 1.00 0.00 H ATOM 464 HE ARG A 33 -6.821 -10.351 5.707 1.00 0.00 H ATOM 465 HH12 ARG A 33 -3.648 -11.940 3.706 1.00 0.00 H ATOM 466 HH11 ARG A 33 -3.699 -12.063 5.503 1.00 0.00 H ATOM 467 HH22 ARG A 33 -5.333 -10.904 2.577 1.00 0.00 H ATOM 468 HH21 ARG A 33 -6.730 -10.198 3.468 1.00 0.00 H ATOM 469 H ARG A 33 -4.137 -7.893 9.512 1.00 0.00 H ATOM 470 N THR A 34 -1.209 -8.570 7.481 1.00 42.56 N ATOM 471 CA THR A 34 -0.109 -8.583 6.503 1.00 42.59 C ATOM 472 C THR A 34 1.272 -8.775 7.166 1.00 46.62 C ATOM 473 O THR A 34 2.197 -9.249 6.503 1.00 46.19 O ATOM 474 CB THR A 34 -0.150 -7.356 5.564 1.00 51.60 C ATOM 475 OG1 THR A 34 0.189 -6.173 6.288 1.00 51.91 O ATOM 476 CG2 THR A 34 -1.494 -7.191 4.852 1.00 50.17 C ATOM 477 HA THR A 34 -0.265 -9.460 5.874 1.00 0.00 H ATOM 478 HB THR A 34 0.590 -7.528 4.782 1.00 0.00 H ATOM 479 HG1 THR A 34 1.101 -6.266 6.662 1.00 0.00 H ATOM 480 HG23 THR A 34 -1.730 -8.105 4.308 1.00 0.00 H ATOM 481 HG21 THR A 34 -2.272 -6.994 5.589 1.00 0.00 H ATOM 482 HG22 THR A 34 -1.434 -6.356 4.154 1.00 0.00 H ATOM 483 H THR A 34 -1.793 -7.713 7.553 1.00 0.00 H ATOM 484 N CYS A 35 1.397 -8.439 8.475 1.00 43.42 N ATOM 485 CA CYS A 35 2.632 -8.601 9.254 1.00 43.51 C ATOM 486 C CYS A 35 3.005 -10.068 9.505 1.00 46.72 C ATOM 487 O CYS A 35 4.160 -10.353 9.833 1.00 46.28 O ATOM 488 CB CYS A 35 2.597 -7.788 10.547 1.00 44.14 C ATOM 489 SG CYS A 35 1.232 -8.205 11.665 1.00 48.20 S ATOM 490 HA CYS A 35 3.433 -8.196 8.635 1.00 0.00 H ATOM 491 HB2 CYS A 35 2.511 -6.734 10.284 1.00 0.00 H ATOM 492 HB3 CYS A 35 3.534 -7.953 11.078 1.00 0.00 H ATOM 493 H CYS A 35 0.566 -8.042 8.957 1.00 0.00 H ATOM 494 N LEU A 36 2.028 -10.995 9.352 1.00 42.84 N ATOM 495 CA LEU A 36 2.223 -12.443 9.508 1.00 42.45 C ATOM 496 C LEU A 36 3.129 -12.984 8.389 1.00 45.86 C ATOM 497 O LEU A 36 3.775 -14.018 8.567 1.00 45.64 O ATOM 498 CB LEU A 36 0.875 -13.188 9.521 1.00 42.46 C ATOM 499 CG LEU A 36 -0.040 -12.959 10.732 1.00 47.04 C ATOM 500 CD1 LEU A 36 -1.495 -13.109 10.353 1.00 47.09 C ATOM 501 CD2 LEU A 36 0.296 -13.907 11.869 1.00 49.47 C ATOM 502 HA LEU A 36 2.710 -12.617 10.467 1.00 0.00 H ATOM 503 HB2 LEU A 36 0.324 -12.885 8.631 1.00 0.00 H ATOM 504 HB3 LEU A 36 1.089 -14.255 9.468 1.00 0.00 H ATOM 505 HG LEU A 36 0.130 -11.938 11.072 1.00 0.00 H ATOM 506 HD21 LEU A 36 0.172 -14.936 11.531 1.00 0.00 H ATOM 507 HD22 LEU A 36 1.328 -13.747 12.180 1.00 0.00 H ATOM 508 HD23 LEU A 36 -0.372 -13.716 12.709 1.00 0.00 H ATOM 509 HD11 LEU A 36 -1.746 -12.379 9.584 1.00 0.00 H ATOM 510 HD12 LEU A 36 -1.668 -14.115 9.971 1.00 0.00 H ATOM 511 HD13 LEU A 36 -2.117 -12.941 11.232 1.00 0.00 H ATOM 512 H LEU A 36 1.075 -10.658 9.107 1.00 0.00 H ATOM 513 N ASP A 37 3.181 -12.262 7.248 1.00 41.82 N ATOM 514 CA ASP A 37 4.032 -12.560 6.094 1.00 41.43 C ATOM 515 C ASP A 37 5.370 -11.793 6.189 1.00 44.31 C ATOM 516 O ASP A 37 6.195 -11.868 5.276 1.00 44.20 O ATOM 517 CB ASP A 37 3.299 -12.226 4.780 1.00 43.43 C ATOM 518 CG ASP A 37 2.201 -13.199 4.397 1.00 54.75 C ATOM 519 OD1 ASP A 37 2.461 -14.423 4.403 1.00 55.76 O ATOM 520 OD2 ASP A 37 1.105 -12.736 4.021 1.00 60.62 O ATOM 521 HA ASP A 37 4.254 -13.627 6.098 1.00 0.00 H ATOM 522 HB2 ASP A 37 2.854 -11.236 4.882 1.00 0.00 H ATOM 523 HB3 ASP A 37 4.035 -12.211 3.976 1.00 0.00 H ATOM 524 H ASP A 37 2.566 -11.426 7.184 1.00 0.00 H ATOM 525 N GLY A 38 5.564 -11.079 7.301 1.00 39.81 N ATOM 526 CA GLY A 38 6.766 -10.301 7.584 1.00 39.11 C ATOM 527 C GLY A 38 6.798 -8.921 6.961 1.00 41.62 C ATOM 528 O GLY A 38 7.853 -8.282 6.941 1.00 41.35 O ATOM 529 HA3 GLY A 38 7.625 -10.859 7.213 1.00 0.00 H ATOM 530 HA2 GLY A 38 6.848 -10.186 8.665 1.00 0.00 H ATOM 531 H GLY A 38 4.807 -11.077 8.014 1.00 0.00 H ATOM 532 N THR A 39 5.645 -8.442 6.459 1.00 37.10 N ATOM 533 CA THR A 39 5.526 -7.131 5.814 1.00 36.39 C ATOM 534 C THR A 39 4.688 -6.178 6.664 1.00 38.21 C ATOM 535 O THR A 39 3.546 -6.500 6.994 1.00 37.76 O ATOM 536 CB THR A 39 4.963 -7.268 4.385 1.00 46.68 C ATOM 537 OG1 THR A 39 3.619 -7.744 4.449 1.00 48.67 O ATOM 538 CG2 THR A 39 5.780 -8.199 3.513 1.00 45.21 C ATOM 539 HA THR A 39 6.524 -6.700 5.730 1.00 0.00 H ATOM 540 HB THR A 39 5.006 -6.279 3.929 1.00 0.00 H ATOM 541 HG1 THR A 39 3.067 -7.102 4.962 1.00 0.00 H ATOM 542 HG23 THR A 39 6.807 -7.839 3.462 1.00 0.00 H ATOM 543 HG21 THR A 39 5.766 -9.201 3.941 1.00 0.00 H ATOM 544 HG22 THR A 39 5.352 -8.225 2.511 1.00 0.00 H ATOM 545 H THR A 39 4.793 -9.034 6.533 1.00 0.00 H ATOM 546 N VAL A 40 5.248 -5.005 7.003 1.00 33.28 N ATOM 547 CA VAL A 40 4.575 -3.980 7.812 1.00 32.42 C ATOM 548 C VAL A 40 3.371 -3.409 7.032 1.00 34.94 C ATOM 549 O VAL A 40 3.548 -3.019 5.873 1.00 34.32 O ATOM 550 CB VAL A 40 5.563 -2.880 8.299 1.00 36.15 C ATOM 551 CG1 VAL A 40 4.872 -1.863 9.207 1.00 35.89 C ATOM 552 CG2 VAL A 40 6.757 -3.502 9.016 1.00 35.94 C ATOM 553 HA VAL A 40 4.192 -4.443 8.721 1.00 0.00 H ATOM 554 HB VAL A 40 5.921 -2.352 7.415 1.00 0.00 H ATOM 555 HG11 VAL A 40 4.062 -1.380 8.660 1.00 0.00 H ATOM 556 HG12 VAL A 40 4.468 -2.374 10.081 1.00 0.00 H ATOM 557 HG13 VAL A 40 5.595 -1.112 9.526 1.00 0.00 H ATOM 558 HG21 VAL A 40 6.407 -4.067 9.880 1.00 0.00 H ATOM 559 HG22 VAL A 40 7.282 -4.169 8.333 1.00 0.00 H ATOM 560 HG23 VAL A 40 7.432 -2.713 9.346 1.00 0.00 H ATOM 561 H VAL A 40 6.215 -4.811 6.673 1.00 0.00 H ATOM 562 N PRO A 41 2.140 -3.406 7.616 1.00 30.71 N ATOM 563 CA PRO A 41 0.976 -2.881 6.867 1.00 30.21 C ATOM 564 C PRO A 41 1.123 -1.414 6.460 1.00 33.02 C ATOM 565 O PRO A 41 1.583 -0.595 7.254 1.00 32.22 O ATOM 566 CB PRO A 41 -0.223 -3.130 7.790 1.00 32.01 C ATOM 567 CG PRO A 41 0.291 -3.768 9.004 1.00 36.50 C ATOM 568 CD PRO A 41 1.772 -3.861 8.974 1.00 32.14 C ATOM 569 HA PRO A 41 0.861 -3.385 5.907 1.00 0.00 H ATOM 570 HD3 PRO A 41 2.215 -3.214 9.731 1.00 0.00 H ATOM 571 HD2 PRO A 41 2.098 -4.888 9.139 1.00 0.00 H ATOM 572 HG3 PRO A 41 -0.127 -4.771 9.083 1.00 0.00 H ATOM 573 HG2 PRO A 41 -0.011 -3.180 9.871 1.00 0.00 H ATOM 574 HB2 PRO A 41 -0.705 -2.185 8.040 1.00 0.00 H ATOM 575 HB3 PRO A 41 -0.943 -3.785 7.299 1.00 0.00 H ATOM 576 N THR A 42 0.768 -1.104 5.198 1.00 29.36 N ATOM 577 CA THR A 42 0.912 0.222 4.578 1.00 29.08 C ATOM 578 C THR A 42 -0.346 1.100 4.590 1.00 32.42 C ATOM 579 O THR A 42 -0.267 2.272 4.212 1.00 32.04 O ATOM 580 CB THR A 42 1.471 0.088 3.152 1.00 38.77 C ATOM 581 OG1 THR A 42 0.577 -0.708 2.372 1.00 40.67 O ATOM 582 CG2 THR A 42 2.865 -0.508 3.115 1.00 37.18 C ATOM 583 HA THR A 42 1.620 0.754 5.214 1.00 0.00 H ATOM 584 HB THR A 42 1.553 1.092 2.736 1.00 0.00 H ATOM 585 HG1 THR A 42 0.492 -1.605 2.782 1.00 0.00 H ATOM 586 HG23 THR A 42 3.538 0.107 3.713 1.00 0.00 H ATOM 587 HG21 THR A 42 2.837 -1.519 3.521 1.00 0.00 H ATOM 588 HG22 THR A 42 3.218 -0.539 2.084 1.00 0.00 H ATOM 589 H THR A 42 0.360 -1.863 4.616 1.00 0.00 H ATOM 590 N ALA A 43 -1.498 0.544 4.997 1.00 28.57 N ATOM 591 CA ALA A 43 -2.765 1.276 5.055 1.00 28.12 C ATOM 592 C ALA A 43 -2.705 2.425 6.093 1.00 31.09 C ATOM 593 O ALA A 43 -2.104 2.230 7.152 1.00 30.61 O ATOM 594 CB ALA A 43 -3.898 0.320 5.378 1.00 28.81 C ATOM 595 HA ALA A 43 -2.947 1.726 4.079 1.00 0.00 H ATOM 596 HB1 ALA A 43 -3.958 -0.445 4.604 1.00 0.00 H ATOM 597 HB2 ALA A 43 -3.710 -0.152 6.342 1.00 0.00 H ATOM 598 HB3 ALA A 43 -4.837 0.872 5.419 1.00 0.00 H ATOM 599 H ALA A 43 -1.490 -0.455 5.285 1.00 0.00 H ATOM 600 N PRO A 44 -3.264 3.630 5.794 1.00 27.14 N ATOM 601 CA PRO A 44 -3.176 4.756 6.754 1.00 26.67 C ATOM 602 C PRO A 44 -3.654 4.466 8.175 1.00 29.23 C ATOM 603 O PRO A 44 -3.015 4.923 9.124 1.00 28.96 O ATOM 604 CB PRO A 44 -4.009 5.860 6.097 1.00 28.55 C ATOM 605 CG PRO A 44 -4.014 5.529 4.664 1.00 33.11 C ATOM 606 CD PRO A 44 -3.976 4.036 4.565 1.00 28.75 C ATOM 607 HA PRO A 44 -2.131 5.017 6.921 1.00 0.00 H ATOM 608 HD3 PRO A 44 -4.983 3.620 4.542 1.00 0.00 H ATOM 609 HD2 PRO A 44 -3.432 3.717 3.676 1.00 0.00 H ATOM 610 HG3 PRO A 44 -3.140 5.960 4.176 1.00 0.00 H ATOM 611 HG2 PRO A 44 -4.918 5.914 4.193 1.00 0.00 H ATOM 612 HB2 PRO A 44 -5.024 5.862 6.494 1.00 0.00 H ATOM 613 HB3 PRO A 44 -3.553 6.836 6.264 1.00 0.00 H ATOM 614 N ALA A 45 -4.756 3.702 8.325 1.00 24.86 N ATOM 615 CA ALA A 45 -5.301 3.316 9.631 1.00 24.26 C ATOM 616 C ALA A 45 -4.376 2.333 10.337 1.00 27.04 C ATOM 617 O ALA A 45 -4.255 2.385 11.560 1.00 26.29 O ATOM 618 CB ALA A 45 -6.686 2.712 9.473 1.00 24.92 C ATOM 619 HA ALA A 45 -5.378 4.215 10.243 1.00 0.00 H ATOM 620 HB1 ALA A 45 -7.350 3.444 9.014 1.00 0.00 H ATOM 621 HB2 ALA A 45 -6.625 1.827 8.839 1.00 0.00 H ATOM 622 HB3 ALA A 45 -7.073 2.432 10.453 1.00 0.00 H ATOM 623 H ALA A 45 -5.245 3.369 7.469 1.00 0.00 H ATOM 624 N ALA A 46 -3.714 1.450 9.560 1.00 23.29 N ATOM 625 CA ALA A 46 -2.764 0.457 10.062 1.00 22.97 C ATOM 626 C ALA A 46 -1.487 1.140 10.555 1.00 26.61 C ATOM 627 O ALA A 46 -0.912 0.698 11.548 1.00 26.18 O ATOM 628 CB ALA A 46 -2.440 -0.554 8.976 1.00 23.67 C ATOM 629 HA ALA A 46 -3.219 -0.068 10.902 1.00 0.00 H ATOM 630 HB1 ALA A 46 -3.355 -1.059 8.667 1.00 0.00 H ATOM 631 HB2 ALA A 46 -2.001 -0.039 8.121 1.00 0.00 H ATOM 632 HB3 ALA A 46 -1.732 -1.287 9.363 1.00 0.00 H ATOM 633 H ALA A 46 -3.891 1.477 8.536 1.00 0.00 H ATOM 634 N LYS A 47 -1.069 2.234 9.879 1.00 22.94 N ATOM 635 CA LYS A 47 0.098 3.042 10.247 1.00 22.64 C ATOM 636 C LYS A 47 -0.190 3.790 11.552 1.00 25.99 C ATOM 637 O LYS A 47 0.693 3.894 12.404 1.00 25.42 O ATOM 638 CB LYS A 47 0.458 4.039 9.132 1.00 25.20 C ATOM 639 CG LYS A 47 1.025 3.389 7.876 1.00 38.26 C ATOM 640 CD LYS A 47 1.564 4.422 6.898 1.00 46.42 C ATOM 641 CE LYS A 47 2.198 3.759 5.702 1.00 54.77 C ATOM 642 NZ LYS A 47 2.646 4.743 4.687 1.00 62.68 N ATOM 643 HA LYS A 47 0.950 2.377 10.387 1.00 0.00 H ATOM 644 HB2 LYS A 47 -0.444 4.586 8.857 1.00 0.00 H ATOM 645 HB3 LYS A 47 1.200 4.736 9.522 1.00 0.00 H ATOM 646 HG2 LYS A 47 1.834 2.717 8.161 1.00 0.00 H ATOM 647 HG3 LYS A 47 0.236 2.818 7.387 1.00 0.00 H ATOM 648 HD2 LYS A 47 0.743 5.055 6.561 1.00 0.00 H ATOM 649 HD3 LYS A 47 2.311 5.035 7.403 1.00 0.00 H ATOM 650 HE2 LYS A 47 1.470 3.089 5.244 1.00 0.00 H ATOM 651 HE3 LYS A 47 3.060 3.182 6.036 1.00 0.00 H ATOM 652 HZ1 LYS A 47 1.829 5.294 4.356 1.00 0.00 H ATOM 653 HZ2 LYS A 47 3.348 5.382 5.112 1.00 0.00 H ATOM 654 HZ3 LYS A 47 3.075 4.240 3.884 1.00 0.00 H ATOM 655 H LYS A 47 -1.613 2.522 9.040 1.00 0.00 H ATOM 656 N CYS A 48 -1.436 4.286 11.713 1.00 22.49 N ATOM 657 CA CYS A 48 -1.868 4.997 12.917 1.00 22.25 C ATOM 658 C CYS A 48 -2.117 4.067 14.098 1.00 24.46 C ATOM 659 O CYS A 48 -2.020 4.509 15.245 1.00 23.68 O ATOM 660 CB CYS A 48 -3.055 5.911 12.632 1.00 22.84 C ATOM 661 SG CYS A 48 -2.644 7.351 11.607 1.00 26.97 S ATOM 662 HA CYS A 48 -1.037 5.635 13.218 1.00 0.00 H ATOM 663 HB2 CYS A 48 -3.450 6.268 13.583 1.00 0.00 H ATOM 664 HB3 CYS A 48 -3.820 5.330 12.117 1.00 0.00 H ATOM 665 H CYS A 48 -2.123 4.156 10.943 1.00 0.00 H ATOM 666 N TYR A 49 -2.388 2.773 13.818 1.00 20.42 N ATOM 667 CA TYR A 49 -2.551 1.724 14.826 1.00 20.13 C ATOM 668 C TYR A 49 -1.191 1.512 15.499 1.00 23.96 C ATOM 669 O TYR A 49 -1.127 1.401 16.725 1.00 23.52 O ATOM 670 CB TYR A 49 -3.072 0.420 14.177 1.00 21.16 C ATOM 671 CG TYR A 49 -2.855 -0.829 15.007 1.00 22.72 C ATOM 672 CD1 TYR A 49 -3.784 -1.225 15.964 1.00 24.66 C ATOM 673 CD2 TYR A 49 -1.726 -1.622 14.827 1.00 23.27 C ATOM 674 CE1 TYR A 49 -3.585 -2.369 16.734 1.00 25.17 C ATOM 675 CE2 TYR A 49 -1.525 -2.778 15.576 1.00 24.05 C ATOM 676 CZ TYR A 49 -2.451 -3.141 16.538 1.00 30.81 C ATOM 677 OH TYR A 49 -2.239 -4.274 17.284 1.00 30.55 O ATOM 678 HA TYR A 49 -3.289 2.019 15.572 1.00 0.00 H ATOM 679 HB3 TYR A 49 -2.562 0.287 13.223 1.00 0.00 H ATOM 680 HB2 TYR A 49 -4.142 0.531 14.003 1.00 0.00 H ATOM 681 HD2 TYR A 49 -0.983 -1.332 14.084 1.00 0.00 H ATOM 682 HE2 TYR A 49 -0.642 -3.394 15.405 1.00 0.00 H ATOM 683 HE1 TYR A 49 -4.318 -2.656 17.488 1.00 0.00 H ATOM 684 HD1 TYR A 49 -4.684 -0.629 16.114 1.00 0.00 H ATOM 685 HH TYR A 49 -2.987 -4.392 17.922 1.00 0.00 H ATOM 686 H TYR A 49 -2.488 2.504 12.818 1.00 0.00 H ATOM 687 N ILE A 50 -0.112 1.465 14.684 1.00 20.52 N ATOM 688 CA ILE A 50 1.276 1.296 15.126 1.00 20.31 C ATOM 689 C ILE A 50 1.670 2.458 16.049 1.00 24.75 C ATOM 690 O ILE A 50 2.241 2.213 17.114 1.00 24.60 O ATOM 691 CB ILE A 50 2.249 1.121 13.921 1.00 23.18 C ATOM 692 CG1 ILE A 50 1.899 -0.130 13.083 1.00 23.52 C ATOM 693 CG2 ILE A 50 3.699 1.053 14.393 1.00 23.79 C ATOM 694 CD1 ILE A 50 2.417 -0.121 11.618 1.00 29.45 C ATOM 695 HA ILE A 50 1.356 0.373 15.701 1.00 0.00 H ATOM 696 HB ILE A 50 2.132 1.997 13.283 1.00 0.00 H ATOM 697 HG12 ILE A 50 2.324 -1.000 13.584 1.00 0.00 H ATOM 698 HG13 ILE A 50 0.813 -0.223 13.055 1.00 0.00 H ATOM 699 HD11 ILE A 50 1.993 0.732 11.089 1.00 0.00 H ATOM 700 HD12 ILE A 50 3.504 -0.045 11.619 1.00 0.00 H ATOM 701 HD13 ILE A 50 2.116 -1.044 11.122 1.00 0.00 H ATOM 702 HG21 ILE A 50 3.953 1.975 14.917 1.00 0.00 H ATOM 703 HG22 ILE A 50 3.821 0.205 15.067 1.00 0.00 H ATOM 704 HG23 ILE A 50 4.355 0.931 13.531 1.00 0.00 H ATOM 705 H ILE A 50 -0.281 1.556 13.662 1.00 0.00 H ATOM 706 N HIS A 51 1.327 3.709 15.657 1.00 21.66 N ATOM 707 CA HIS A 51 1.592 4.910 16.457 1.00 21.81 C ATOM 708 C HIS A 51 0.897 4.828 17.812 1.00 26.80 C ATOM 709 O HIS A 51 1.518 5.148 18.828 1.00 26.02 O ATOM 710 CB HIS A 51 1.192 6.198 15.709 1.00 22.39 C ATOM 711 CG HIS A 51 1.073 7.385 16.615 1.00 25.75 C ATOM 712 ND1 HIS A 51 -0.163 7.845 17.033 1.00 27.46 N ATOM 713 CD2 HIS A 51 2.042 8.108 17.230 1.00 27.31 C ATOM 714 CE1 HIS A 51 0.089 8.847 17.857 1.00 26.75 C ATOM 715 NE2 HIS A 51 1.404 9.050 18.000 1.00 27.07 N ATOM 716 HA HIS A 51 2.668 4.955 16.627 1.00 0.00 H ATOM 717 HB2 HIS A 51 1.948 6.411 14.954 1.00 0.00 H ATOM 718 HB3 HIS A 51 0.231 6.034 15.222 1.00 0.00 H ATOM 719 HD2 HIS A 51 3.119 7.969 17.132 1.00 0.00 H ATOM 720 HE1 HIS A 51 -0.679 9.435 18.358 1.00 0.00 H ATOM 721 H HIS A 51 0.850 3.824 14.740 1.00 0.00 H ATOM 722 N CYS A 52 -0.379 4.385 17.815 1.00 24.88 N ATOM 723 CA CYS A 52 -1.195 4.218 19.017 1.00 25.37 C ATOM 724 C CYS A 52 -0.530 3.264 20.007 1.00 30.25 C ATOM 725 O CYS A 52 -0.477 3.584 21.194 1.00 29.81 O ATOM 726 CB CYS A 52 -2.611 3.769 18.661 1.00 25.83 C ATOM 727 SG CYS A 52 -3.633 3.321 20.090 1.00 29.82 S ATOM 728 HA CYS A 52 -1.275 5.188 19.508 1.00 0.00 H ATOM 729 HB2 CYS A 52 -2.540 2.900 18.006 1.00 0.00 H ATOM 730 HB3 CYS A 52 -3.104 4.583 18.130 1.00 0.00 H ATOM 731 H CYS A 52 -0.811 4.146 16.900 1.00 0.00 H ATOM 732 N LEU A 53 -0.025 2.101 19.522 1.00 27.97 N ATOM 733 CA LEU A 53 0.648 1.086 20.346 1.00 28.32 C ATOM 734 C LEU A 53 1.801 1.696 21.129 1.00 33.64 C ATOM 735 O LEU A 53 1.876 1.519 22.343 1.00 33.09 O ATOM 736 CB LEU A 53 1.179 -0.089 19.500 1.00 28.37 C ATOM 737 CG LEU A 53 0.191 -0.986 18.764 1.00 33.05 C ATOM 738 CD1 LEU A 53 0.932 -1.961 17.902 1.00 33.16 C ATOM 739 CD2 LEU A 53 -0.690 -1.759 19.720 1.00 35.68 C ATOM 740 HA LEU A 53 -0.102 0.703 21.038 1.00 0.00 H ATOM 741 HB2 LEU A 53 1.844 0.336 18.748 1.00 0.00 H ATOM 742 HB3 LEU A 53 1.752 -0.730 20.170 1.00 0.00 H ATOM 743 HG LEU A 53 -0.441 -0.339 18.156 1.00 0.00 H ATOM 744 HD21 LEU A 53 -0.068 -2.387 20.358 1.00 0.00 H ATOM 745 HD22 LEU A 53 -1.256 -1.060 20.336 1.00 0.00 H ATOM 746 HD23 LEU A 53 -1.378 -2.385 19.152 1.00 0.00 H ATOM 747 HD11 LEU A 53 1.535 -1.416 17.175 1.00 0.00 H ATOM 748 HD12 LEU A 53 1.581 -2.576 18.526 1.00 0.00 H ATOM 749 HD13 LEU A 53 0.218 -2.598 17.380 1.00 0.00 H ATOM 750 H LEU A 53 -0.120 1.916 18.503 1.00 0.00 H ATOM 751 N PHE A 54 2.678 2.440 20.430 1.00 31.43 N ATOM 752 CA PHE A 54 3.832 3.111 21.014 1.00 31.87 C ATOM 753 C PHE A 54 3.427 4.251 21.942 1.00 37.20 C ATOM 754 O PHE A 54 4.103 4.485 22.947 1.00 36.75 O ATOM 755 CB PHE A 54 4.776 3.620 19.916 1.00 33.63 C ATOM 756 CG PHE A 54 5.514 2.564 19.134 1.00 35.11 C ATOM 757 CD1 PHE A 54 5.498 2.569 17.748 1.00 38.24 C ATOM 758 CD2 PHE A 54 6.241 1.572 19.783 1.00 37.28 C ATOM 759 CE1 PHE A 54 6.203 1.608 17.025 1.00 39.20 C ATOM 760 CE2 PHE A 54 6.929 0.600 19.059 1.00 40.16 C ATOM 761 CZ PHE A 54 6.905 0.624 17.685 1.00 38.26 C ATOM 762 HA PHE A 54 4.360 2.374 21.619 1.00 0.00 H ATOM 763 HB2 PHE A 54 4.184 4.204 19.211 1.00 0.00 H ATOM 764 HB3 PHE A 54 5.518 4.265 20.387 1.00 0.00 H ATOM 765 HD2 PHE A 54 6.273 1.554 20.872 1.00 0.00 H ATOM 766 HE2 PHE A 54 7.485 -0.178 19.582 1.00 0.00 H ATOM 767 HZ PHE A 54 7.442 -0.136 17.117 1.00 0.00 H ATOM 768 HE1 PHE A 54 6.199 1.635 15.935 1.00 0.00 H ATOM 769 HD1 PHE A 54 4.928 3.332 17.218 1.00 0.00 H ATOM 770 H PHE A 54 2.522 2.543 19.407 1.00 0.00 H ATOM 771 N ASP A 55 2.329 4.956 21.605 1.00 34.99 N ATOM 772 CA ASP A 55 1.788 6.058 22.401 1.00 35.44 C ATOM 773 C ASP A 55 1.221 5.541 23.728 1.00 40.67 C ATOM 774 O ASP A 55 1.428 6.181 24.760 1.00 40.36 O ATOM 775 CB ASP A 55 0.713 6.827 21.609 1.00 37.33 C ATOM 776 CG ASP A 55 0.030 7.933 22.389 1.00 48.07 C ATOM 777 OD1 ASP A 55 -1.191 7.816 22.637 1.00 48.90 O ATOM 778 OD2 ASP A 55 0.718 8.913 22.755 1.00 54.05 O ATOM 779 HA ASP A 55 2.602 6.748 22.625 1.00 0.00 H ATOM 780 HB2 ASP A 55 1.187 7.270 20.733 1.00 0.00 H ATOM 781 HB3 ASP A 55 -0.048 6.116 21.288 1.00 0.00 H ATOM 782 H ASP A 55 1.836 4.701 20.725 1.00 0.00 H ATOM 783 N LYS A 56 0.527 4.381 23.699 1.00 38.21 N ATOM 784 CA LYS A 56 -0.063 3.758 24.889 1.00 38.62 C ATOM 785 C LYS A 56 0.980 3.224 25.863 1.00 44.13 C ATOM 786 O LYS A 56 0.733 3.219 27.069 1.00 43.93 O ATOM 787 CB LYS A 56 -1.098 2.677 24.520 1.00 40.98 C ATOM 788 CG LYS A 56 -2.378 3.218 23.882 1.00 53.94 C ATOM 789 CD LYS A 56 -3.135 4.171 24.790 1.00 64.01 C ATOM 790 CE LYS A 56 -3.720 5.314 24.012 1.00 75.50 C ATOM 791 NZ LYS A 56 -4.982 5.774 24.641 1.00 84.97 N ATOM 792 HA LYS A 56 -0.591 4.555 25.412 1.00 0.00 H ATOM 793 HB2 LYS A 56 -0.633 1.985 23.818 1.00 0.00 H ATOM 794 HB3 LYS A 56 -1.370 2.141 25.429 1.00 0.00 H ATOM 795 HG2 LYS A 56 -2.114 3.746 22.966 1.00 0.00 H ATOM 796 HG3 LYS A 56 -3.028 2.377 23.640 1.00 0.00 H ATOM 797 HD2 LYS A 56 -3.941 3.627 25.284 1.00 0.00 H ATOM 798 HD3 LYS A 56 -2.451 4.565 25.541 1.00 0.00 H ATOM 799 HE2 LYS A 56 -3.924 4.988 22.992 1.00 0.00 H ATOM 800 HE3 LYS A 56 -3.007 6.138 23.992 1.00 0.00 H ATOM 801 HZ1 LYS A 56 -5.665 4.990 24.658 1.00 0.00 H ATOM 802 HZ2 LYS A 56 -4.789 6.089 25.613 1.00 0.00 H ATOM 803 HZ3 LYS A 56 -5.374 6.565 24.091 1.00 0.00 H ATOM 804 H LYS A 56 0.405 3.904 22.783 1.00 0.00 H ATOM 805 N ILE A 57 2.145 2.794 25.348 1.00 41.69 N ATOM 806 CA ILE A 57 3.249 2.299 26.176 1.00 41.92 C ATOM 807 C ILE A 57 4.236 3.428 26.544 1.00 47.01 C ATOM 808 O ILE A 57 5.257 3.174 27.190 1.00 46.80 O ATOM 809 CB ILE A 57 3.924 1.005 25.628 1.00 45.02 C ATOM 810 CG1 ILE A 57 4.548 1.213 24.227 1.00 45.46 C ATOM 811 CG2 ILE A 57 2.945 -0.169 25.655 1.00 45.77 C ATOM 812 CD1 ILE A 57 5.566 0.146 23.782 1.00 52.92 C ATOM 813 HA ILE A 57 2.807 1.968 27.116 1.00 0.00 H ATOM 814 HB ILE A 57 4.754 0.762 26.292 1.00 0.00 H ATOM 815 HG12 ILE A 57 3.738 1.227 23.498 1.00 0.00 H ATOM 816 HG13 ILE A 57 5.053 2.179 24.225 1.00 0.00 H ATOM 817 HD11 ILE A 57 6.398 0.123 24.486 1.00 0.00 H ATOM 818 HD12 ILE A 57 5.081 -0.830 23.758 1.00 0.00 H ATOM 819 HD13 ILE A 57 5.937 0.393 22.787 1.00 0.00 H ATOM 820 HG21 ILE A 57 2.622 -0.347 26.681 1.00 0.00 H ATOM 821 HG22 ILE A 57 2.080 0.067 25.036 1.00 0.00 H ATOM 822 HG23 ILE A 57 3.438 -1.061 25.268 1.00 0.00 H ATOM 823 H ILE A 57 2.269 2.813 24.316 1.00 0.00 H ATOM 824 N ASP A 58 3.895 4.678 26.148 1.00 44.27 N ATOM 825 CA ASP A 58 4.628 5.922 26.404 1.00 44.37 C ATOM 826 C ASP A 58 6.084 5.945 25.893 1.00 47.98 C ATOM 827 O ASP A 58 6.976 6.454 26.579 1.00 47.57 O ATOM 828 CB ASP A 58 4.507 6.338 27.889 1.00 46.53 C ATOM 829 CG ASP A 58 4.211 7.809 28.127 1.00 58.36 C ATOM 830 OD1 ASP A 58 3.445 8.400 27.333 1.00 59.14 O ATOM 831 OD2 ASP A 58 4.695 8.354 29.142 1.00 65.09 O ATOM 832 HA ASP A 58 4.137 6.680 25.794 1.00 0.00 H ATOM 833 HB2 ASP A 58 3.703 5.755 28.338 1.00 0.00 H ATOM 834 HB3 ASP A 58 5.448 6.099 28.384 1.00 0.00 H ATOM 835 H ASP A 58 3.015 4.765 25.601 1.00 0.00 H ATOM 836 N VAL A 59 6.311 5.420 24.675 1.00 44.36 N ATOM 837 CA VAL A 59 7.641 5.394 24.055 1.00 44.18 C ATOM 838 C VAL A 59 7.775 6.370 22.878 1.00 48.44 C ATOM 839 O VAL A 59 8.796 6.368 22.187 1.00 47.97 O ATOM 840 CB VAL A 59 8.180 3.978 23.733 1.00 47.94 C ATOM 841 CG1 VAL A 59 8.331 3.142 24.997 1.00 47.75 C ATOM 842 CG2 VAL A 59 7.327 3.270 22.688 1.00 47.69 C ATOM 843 HA VAL A 59 8.307 5.762 24.836 1.00 0.00 H ATOM 844 HB VAL A 59 9.173 4.100 23.301 1.00 0.00 H ATOM 845 HG11 VAL A 59 9.029 3.633 25.675 1.00 0.00 H ATOM 846 HG12 VAL A 59 7.360 3.042 25.483 1.00 0.00 H ATOM 847 HG13 VAL A 59 8.711 2.155 24.735 1.00 0.00 H ATOM 848 HG21 VAL A 59 6.307 3.172 23.059 1.00 0.00 H ATOM 849 HG22 VAL A 59 7.325 3.853 21.767 1.00 0.00 H ATOM 850 HG23 VAL A 59 7.741 2.281 22.492 1.00 0.00 H ATOM 851 H VAL A 59 5.509 5.015 24.150 1.00 0.00 H ATOM 852 N VAL A 60 6.745 7.207 22.662 1.00 45.58 N ATOM 853 CA VAL A 60 6.728 8.211 21.599 1.00 45.75 C ATOM 854 C VAL A 60 7.247 9.522 22.177 1.00 50.56 C ATOM 855 O VAL A 60 6.759 9.960 23.223 1.00 50.16 O ATOM 856 CB VAL A 60 5.306 8.374 20.960 1.00 49.59 C ATOM 857 CG1 VAL A 60 5.245 9.555 19.985 1.00 49.42 C ATOM 858 CG2 VAL A 60 4.869 7.101 20.257 1.00 49.35 C ATOM 859 HA VAL A 60 7.375 7.887 20.784 1.00 0.00 H ATOM 860 HB VAL A 60 4.618 8.578 21.781 1.00 0.00 H ATOM 861 HG11 VAL A 60 5.487 10.476 20.516 1.00 0.00 H ATOM 862 HG12 VAL A 60 5.964 9.398 19.181 1.00 0.00 H ATOM 863 HG13 VAL A 60 4.241 9.628 19.567 1.00 0.00 H ATOM 864 HG21 VAL A 60 5.580 6.862 19.466 1.00 0.00 H ATOM 865 HG22 VAL A 60 4.835 6.283 20.977 1.00 0.00 H ATOM 866 HG23 VAL A 60 3.879 7.248 19.825 1.00 0.00 H ATOM 867 H VAL A 60 5.915 7.136 23.285 1.00 0.00 H ATOM 868 N ASP A 61 8.256 10.131 21.516 1.00 48.06 N ATOM 869 CA ASP A 61 8.775 11.441 21.903 1.00 48.40 C ATOM 870 C ASP A 61 7.600 12.356 21.580 1.00 53.14 C ATOM 871 O ASP A 61 7.354 12.660 20.408 1.00 52.74 O ATOM 872 CB ASP A 61 10.034 11.813 21.087 1.00 50.35 C ATOM 873 CG ASP A 61 10.593 13.196 21.378 1.00 60.97 C ATOM 874 OD1 ASP A 61 9.962 14.194 20.962 1.00 61.62 O ATOM 875 OD2 ASP A 61 11.686 13.279 21.976 1.00 66.73 O ATOM 876 HA ASP A 61 9.098 11.498 22.943 1.00 0.00 H ATOM 877 HB2 ASP A 61 10.810 11.080 21.306 1.00 0.00 H ATOM 878 HB3 ASP A 61 9.779 11.765 20.028 1.00 0.00 H ATOM 879 H ASP A 61 8.680 9.648 20.699 1.00 0.00 H ATOM 880 N GLU A 62 6.806 12.679 22.620 1.00 50.34 N ATOM 881 CA GLU A 62 5.572 13.473 22.585 1.00 50.43 C ATOM 882 C GLU A 62 5.591 14.685 21.633 1.00 54.38 C ATOM 883 O GLU A 62 4.529 15.110 21.174 1.00 53.98 O ATOM 884 CB GLU A 62 5.187 13.903 24.013 1.00 51.92 C ATOM 885 CG GLU A 62 3.695 14.112 24.230 1.00 63.37 C ATOM 886 CD GLU A 62 3.272 14.650 25.586 1.00 84.75 C ATOM 887 OE1 GLU A 62 4.042 14.509 26.564 1.00 78.10 O ATOM 888 OE2 GLU A 62 2.146 15.191 25.674 1.00 79.98 O ATOM 889 HA GLU A 62 4.813 12.813 22.165 1.00 0.00 H ATOM 890 HB2 GLU A 62 5.527 13.132 24.704 1.00 0.00 H ATOM 891 HB3 GLU A 62 5.698 14.840 24.236 1.00 0.00 H ATOM 892 HG2 GLU A 62 3.346 14.814 23.472 1.00 0.00 H ATOM 893 HG3 GLU A 62 3.202 13.150 24.088 1.00 0.00 H ATOM 894 H GLU A 62 7.101 12.326 23.553 1.00 0.00 H ATOM 895 N ALA A 63 6.792 15.211 21.315 1.00 50.92 N ATOM 896 CA ALA A 63 6.980 16.382 20.460 1.00 50.66 C ATOM 897 C ALA A 63 7.385 16.113 19.001 1.00 53.96 C ATOM 898 O ALA A 63 6.916 16.833 18.120 1.00 53.59 O ATOM 899 CB ALA A 63 7.956 17.348 21.112 1.00 51.44 C ATOM 900 HA ALA A 63 5.985 16.818 20.377 1.00 0.00 H ATOM 901 HB1 ALA A 63 7.560 17.666 22.077 1.00 0.00 H ATOM 902 HB2 ALA A 63 8.915 16.851 21.257 1.00 0.00 H ATOM 903 HB3 ALA A 63 8.090 18.217 20.468 1.00 0.00 H ATOM 904 H ALA A 63 7.641 14.753 21.704 1.00 0.00 H ATOM 905 N THR A 64 8.270 15.126 18.742 1.00 49.90 N ATOM 906 CA THR A 64 8.733 14.828 17.374 1.00 49.27 C ATOM 907 C THR A 64 8.015 13.636 16.736 1.00 51.79 C ATOM 908 O THR A 64 7.787 13.632 15.525 1.00 51.39 O ATOM 909 CB THR A 64 10.263 14.643 17.315 1.00 57.62 C ATOM 910 OG1 THR A 64 10.633 13.500 18.083 1.00 57.52 O ATOM 911 CG2 THR A 64 11.036 15.874 17.785 1.00 56.03 C ATOM 912 HA THR A 64 8.470 15.703 16.780 1.00 0.00 H ATOM 913 HB THR A 64 10.531 14.496 16.269 1.00 0.00 H ATOM 914 HG1 THR A 64 10.352 13.630 19.023 1.00 0.00 H ATOM 915 HG23 THR A 64 10.741 16.737 17.188 1.00 0.00 H ATOM 916 HG21 THR A 64 10.812 16.063 18.835 1.00 0.00 H ATOM 917 HG22 THR A 64 12.105 15.697 17.667 1.00 0.00 H ATOM 918 H THR A 64 8.637 14.558 19.532 1.00 0.00 H ATOM 919 N GLY A 65 7.689 12.640 17.558 1.00 47.14 N ATOM 920 CA GLY A 65 7.047 11.401 17.133 1.00 46.29 C ATOM 921 C GLY A 65 8.018 10.238 17.148 1.00 48.24 C ATOM 922 O GLY A 65 7.631 9.098 16.878 1.00 47.85 O ATOM 923 HA3 GLY A 65 6.664 11.530 16.121 1.00 0.00 H ATOM 924 HA2 GLY A 65 6.220 11.181 17.808 1.00 0.00 H ATOM 925 H GLY A 65 7.906 12.753 18.569 1.00 0.00 H ATOM 926 N ARG A 66 9.292 10.535 17.475 1.00 43.26 N ATOM 927 CA ARG A 66 10.419 9.603 17.560 1.00 42.39 C ATOM 928 C ARG A 66 10.153 8.483 18.560 1.00 44.30 C ATOM 929 O ARG A 66 9.694 8.733 19.678 1.00 43.67 O ATOM 930 CB ARG A 66 11.700 10.360 17.951 1.00 42.59 C ATOM 931 CG ARG A 66 12.966 9.766 17.386 1.00 52.41 C ATOM 932 CD ARG A 66 14.072 10.794 17.406 1.00 62.13 C ATOM 933 NE ARG A 66 15.281 10.256 18.009 1.00 71.75 N ATOM 934 CZ ARG A 66 15.605 10.455 19.275 1.00 87.45 C ATOM 935 NH1 ARG A 66 14.820 11.190 20.056 1.00 75.25 N ATOM 936 NH2 ARG A 66 16.721 9.941 19.770 1.00 75.10 N ATOM 937 HA ARG A 66 10.547 9.149 16.577 1.00 0.00 H ATOM 938 HB2 ARG A 66 11.614 11.386 17.593 1.00 0.00 H ATOM 939 HB3 ARG A 66 11.778 10.361 19.038 1.00 0.00 H ATOM 940 HG2 ARG A 66 13.261 8.906 17.987 1.00 0.00 H ATOM 941 HG3 ARG A 66 12.788 9.446 16.359 1.00 0.00 H ATOM 942 HD2 ARG A 66 13.743 11.659 17.981 1.00 0.00 H ATOM 943 HD3 ARG A 66 14.291 11.101 16.383 1.00 0.00 H ATOM 944 HE ARG A 66 15.920 9.688 17.417 1.00 0.00 H ATOM 945 HH12 ARG A 66 15.076 11.346 21.052 1.00 0.00 H ATOM 946 HH11 ARG A 66 13.950 11.609 19.671 1.00 0.00 H ATOM 947 HH22 ARG A 66 16.970 10.101 20.767 1.00 0.00 H ATOM 948 HH21 ARG A 66 17.348 9.377 19.162 1.00 0.00 H ATOM 949 H ARG A 66 9.496 11.532 17.690 1.00 0.00 H ATOM 950 N ILE A 67 10.427 7.244 18.135 1.00 39.79 N ATOM 951 CA ILE A 67 10.232 6.068 18.975 1.00 39.17 C ATOM 952 C ILE A 67 11.470 5.867 19.845 1.00 42.37 C ATOM 953 O ILE A 67 12.595 5.798 19.336 1.00 41.60 O ATOM 954 CB ILE A 67 9.825 4.790 18.169 1.00 42.21 C ATOM 955 CG1 ILE A 67 8.746 5.059 17.066 1.00 42.56 C ATOM 956 CG2 ILE A 67 9.436 3.625 19.092 1.00 42.83 C ATOM 957 CD1 ILE A 67 7.379 5.700 17.489 1.00 50.10 C ATOM 958 HA ILE A 67 9.376 6.245 19.626 1.00 0.00 H ATOM 959 HB ILE A 67 10.722 4.487 17.628 1.00 0.00 H ATOM 960 HG12 ILE A 67 9.198 5.724 16.330 1.00 0.00 H ATOM 961 HG13 ILE A 67 8.520 4.101 16.598 1.00 0.00 H ATOM 962 HD11 ILE A 67 6.882 5.050 18.210 1.00 0.00 H ATOM 963 HD12 ILE A 67 7.561 6.675 17.942 1.00 0.00 H ATOM 964 HD13 ILE A 67 6.747 5.819 16.609 1.00 0.00 H ATOM 965 HG21 ILE A 67 10.282 3.370 19.730 1.00 0.00 H ATOM 966 HG22 ILE A 67 8.589 3.921 19.711 1.00 0.00 H ATOM 967 HG23 ILE A 67 9.161 2.760 18.488 1.00 0.00 H ATOM 968 H ILE A 67 10.793 7.115 17.170 1.00 0.00 H ATOM 969 N LEU A 68 11.257 5.812 21.160 1.00 38.97 N ATOM 970 CA LEU A 68 12.320 5.623 22.141 1.00 38.86 C ATOM 971 C LEU A 68 12.120 4.261 22.792 1.00 43.02 C ATOM 972 O LEU A 68 11.545 4.163 23.879 1.00 42.53 O ATOM 973 CB LEU A 68 12.313 6.755 23.186 1.00 38.92 C ATOM 974 CG LEU A 68 12.159 8.172 22.652 1.00 43.65 C ATOM 975 CD1 LEU A 68 11.108 8.930 23.411 1.00 43.83 C ATOM 976 CD2 LEU A 68 13.439 8.908 22.742 1.00 46.05 C ATOM 977 HA LEU A 68 13.294 5.657 21.653 1.00 0.00 H ATOM 978 HB2 LEU A 68 11.487 6.568 23.872 1.00 0.00 H ATOM 979 HB3 LEU A 68 13.255 6.707 23.732 1.00 0.00 H ATOM 980 HG LEU A 68 11.856 8.091 21.608 1.00 0.00 H ATOM 981 HD21 LEU A 68 13.756 8.956 23.784 1.00 0.00 H ATOM 982 HD22 LEU A 68 14.197 8.390 22.154 1.00 0.00 H ATOM 983 HD23 LEU A 68 13.304 9.918 22.355 1.00 0.00 H ATOM 984 HD11 LEU A 68 10.151 8.417 23.315 1.00 0.00 H ATOM 985 HD12 LEU A 68 11.389 8.984 24.463 1.00 0.00 H ATOM 986 HD13 LEU A 68 11.024 9.938 23.004 1.00 0.00 H ATOM 987 H LEU A 68 10.281 5.909 21.505 1.00 0.00 H ATOM 988 N LEU A 69 12.553 3.200 22.081 1.00 40.18 N ATOM 989 CA LEU A 69 12.454 1.804 22.518 1.00 40.36 C ATOM 990 C LEU A 69 13.284 1.538 23.782 1.00 45.18 C ATOM 991 O LEU A 69 12.979 0.599 24.519 1.00 44.84 O ATOM 992 CB LEU A 69 12.834 0.847 21.373 1.00 40.40 C ATOM 993 CG LEU A 69 12.152 -0.523 21.359 1.00 45.05 C ATOM 994 CD1 LEU A 69 10.662 -0.400 21.057 1.00 45.20 C ATOM 995 CD2 LEU A 69 12.797 -1.430 20.334 1.00 47.53 C ATOM 996 HA LEU A 69 11.414 1.613 22.784 1.00 0.00 H ATOM 997 HB2 LEU A 69 12.592 1.345 20.434 1.00 0.00 H ATOM 998 HB3 LEU A 69 13.910 0.679 21.427 1.00 0.00 H ATOM 999 HG LEU A 69 12.272 -0.955 22.353 1.00 0.00 H ATOM 1000 HD21 LEU A 69 12.707 -0.980 19.345 1.00 0.00 H ATOM 1001 HD22 LEU A 69 13.851 -1.562 20.580 1.00 0.00 H ATOM 1002 HD23 LEU A 69 12.296 -2.398 20.341 1.00 0.00 H ATOM 1003 HD11 LEU A 69 10.187 0.216 21.821 1.00 0.00 H ATOM 1004 HD12 LEU A 69 10.528 0.064 20.080 1.00 0.00 H ATOM 1005 HD13 LEU A 69 10.210 -1.392 21.055 1.00 0.00 H ATOM 1006 H LEU A 69 12.989 3.386 21.155 1.00 0.00 H ATOM 1007 N ASP A 70 14.298 2.402 24.049 1.00 42.41 N ATOM 1008 CA ASP A 70 15.158 2.382 25.235 1.00 42.61 C ATOM 1009 C ASP A 70 14.351 2.594 26.525 1.00 46.61 C ATOM 1010 O ASP A 70 14.744 2.090 27.574 1.00 46.21 O ATOM 1011 CB ASP A 70 16.218 3.499 25.138 1.00 44.72 C ATOM 1012 CG ASP A 70 17.561 3.111 24.551 1.00 56.01 C ATOM 1013 OD1 ASP A 70 17.754 1.915 24.239 1.00 56.74 O ATOM 1014 OD2 ASP A 70 18.436 3.996 24.441 1.00 62.33 O ATOM 1015 HA ASP A 70 15.634 1.402 25.272 1.00 0.00 H ATOM 1016 HB2 ASP A 70 15.804 4.295 24.520 1.00 0.00 H ATOM 1017 HB3 ASP A 70 16.394 3.877 26.145 1.00 0.00 H ATOM 1018 H ASP A 70 14.481 3.147 23.346 1.00 0.00 H ATOM 1019 N ARG A 71 13.252 3.378 26.455 1.00 43.13 N ATOM 1020 CA ARG A 71 12.381 3.706 27.589 1.00 42.97 C ATOM 1021 C ARG A 71 11.807 2.485 28.315 1.00 47.22 C ATOM 1022 O ARG A 71 11.579 2.552 29.520 1.00 46.91 O ATOM 1023 CB ARG A 71 11.240 4.630 27.156 1.00 42.62 C ATOM 1024 CG ARG A 71 11.664 6.070 26.943 1.00 50.75 C ATOM 1025 CD ARG A 71 10.454 6.930 26.670 1.00 58.49 C ATOM 1026 NE ARG A 71 10.762 8.353 26.795 1.00 64.57 N ATOM 1027 CZ ARG A 71 9.860 9.325 26.692 1.00 77.02 C ATOM 1028 NH1 ARG A 71 8.586 9.037 26.454 1.00 64.38 N ATOM 1029 NH2 ARG A 71 10.228 10.593 26.811 1.00 62.18 N ATOM 1030 HA ARG A 71 13.027 4.217 28.303 1.00 0.00 H ATOM 1031 HB2 ARG A 71 10.827 4.251 26.221 1.00 0.00 H ATOM 1032 HB3 ARG A 71 10.469 4.609 27.927 1.00 0.00 H ATOM 1033 HG2 ARG A 71 12.171 6.433 27.837 1.00 0.00 H ATOM 1034 HG3 ARG A 71 12.345 6.124 26.093 1.00 0.00 H ATOM 1035 HD2 ARG A 71 9.670 6.674 27.383 1.00 0.00 H ATOM 1036 HD3 ARG A 71 10.101 6.732 25.658 1.00 0.00 H ATOM 1037 HE ARG A 71 11.750 8.623 26.976 1.00 0.00 H ATOM 1038 HH12 ARG A 71 7.886 9.802 26.375 1.00 0.00 H ATOM 1039 HH11 ARG A 71 8.288 8.046 26.347 1.00 0.00 H ATOM 1040 HH22 ARG A 71 9.519 11.350 26.730 1.00 0.00 H ATOM 1041 HH21 ARG A 71 11.225 10.831 26.986 1.00 0.00 H ATOM 1042 H ARG A 71 13.005 3.779 25.528 1.00 0.00 H ATOM 1043 N LEU A 72 11.578 1.385 27.572 1.00 43.96 N ATOM 1044 CA LEU A 72 11.041 0.123 28.101 1.00 43.91 C ATOM 1045 C LEU A 72 11.991 -0.561 29.072 1.00 48.55 C ATOM 1046 O LEU A 72 11.532 -1.341 29.908 1.00 48.10 O ATOM 1047 CB LEU A 72 10.715 -0.856 26.967 1.00 43.89 C ATOM 1048 CG LEU A 72 9.667 -0.446 25.940 1.00 48.52 C ATOM 1049 CD1 LEU A 72 9.479 -1.543 24.916 1.00 48.72 C ATOM 1050 CD2 LEU A 72 8.324 -0.136 26.602 1.00 50.77 C ATOM 1051 HA LEU A 72 10.132 0.392 28.640 1.00 0.00 H ATOM 1052 HB2 LEU A 72 11.642 -1.044 26.426 1.00 0.00 H ATOM 1053 HB3 LEU A 72 10.371 -1.782 27.428 1.00 0.00 H ATOM 1054 HG LEU A 72 10.026 0.458 25.449 1.00 0.00 H ATOM 1055 HD21 LEU A 72 7.966 -1.022 27.126 1.00 0.00 H ATOM 1056 HD22 LEU A 72 8.450 0.682 27.312 1.00 0.00 H ATOM 1057 HD23 LEU A 72 7.602 0.153 25.838 1.00 0.00 H ATOM 1058 HD11 LEU A 72 10.424 -1.728 24.406 1.00 0.00 H ATOM 1059 HD12 LEU A 72 9.150 -2.454 25.417 1.00 0.00 H ATOM 1060 HD13 LEU A 72 8.727 -1.235 24.189 1.00 0.00 H ATOM 1061 H LEU A 72 11.796 1.432 26.556 1.00 0.00 H ATOM 1062 N LEU A 73 13.310 -0.280 28.966 1.00 45.88 N ATOM 1063 CA LEU A 73 14.351 -0.873 29.817 1.00 46.05 C ATOM 1064 C LEU A 73 14.134 -0.634 31.321 1.00 50.71 C ATOM 1065 O LEU A 73 14.793 -1.267 32.151 1.00 50.36 O ATOM 1066 CB LEU A 73 15.765 -0.438 29.370 1.00 46.12 C ATOM 1067 CG LEU A 73 16.188 -0.803 27.934 1.00 50.83 C ATOM 1068 CD1 LEU A 73 17.589 -0.313 27.640 1.00 50.97 C ATOM 1069 CD2 LEU A 73 16.100 -2.304 27.680 1.00 53.19 C ATOM 1070 HA LEU A 73 14.267 -1.951 29.677 1.00 0.00 H ATOM 1071 HB2 LEU A 73 15.821 0.647 29.464 1.00 0.00 H ATOM 1072 HB3 LEU A 73 16.481 -0.898 30.051 1.00 0.00 H ATOM 1073 HG LEU A 73 15.489 -0.305 27.262 1.00 0.00 H ATOM 1074 HD21 LEU A 73 16.757 -2.828 28.374 1.00 0.00 H ATOM 1075 HD22 LEU A 73 15.073 -2.637 27.829 1.00 0.00 H ATOM 1076 HD23 LEU A 73 16.407 -2.517 26.656 1.00 0.00 H ATOM 1077 HD11 LEU A 73 17.624 0.771 27.750 1.00 0.00 H ATOM 1078 HD12 LEU A 73 18.288 -0.774 28.338 1.00 0.00 H ATOM 1079 HD13 LEU A 73 17.861 -0.585 26.620 1.00 0.00 H ATOM 1080 H LEU A 73 13.606 0.399 28.236 1.00 0.00 H ATOM 1081 N TYR A 74 13.157 0.227 31.657 1.00 47.82 N ATOM 1082 CA TYR A 74 12.747 0.628 32.999 1.00 47.92 C ATOM 1083 C TYR A 74 11.499 -0.117 33.502 1.00 52.06 C ATOM 1084 O TYR A 74 11.260 -0.157 34.711 1.00 51.78 O ATOM 1085 CB TYR A 74 12.328 2.094 32.943 1.00 49.27 C ATOM 1086 CG TYR A 74 13.401 3.127 32.733 1.00 51.25 C ATOM 1087 CD1 TYR A 74 14.303 3.433 33.749 1.00 53.34 C ATOM 1088 CD2 TYR A 74 13.386 3.954 31.610 1.00 52.06 C ATOM 1089 CE1 TYR A 74 15.223 4.473 33.617 1.00 54.26 C ATOM 1090 CE2 TYR A 74 14.282 5.016 31.479 1.00 53.00 C ATOM 1091 CZ TYR A 74 15.175 5.294 32.506 1.00 60.66 C ATOM 1092 OH TYR A 74 16.064 6.335 32.390 1.00 61.77 O ATOM 1093 HA TYR A 74 13.590 0.417 33.657 1.00 0.00 H ATOM 1094 HB3 TYR A 74 11.834 2.327 33.886 1.00 0.00 H ATOM 1095 HB2 TYR A 74 11.614 2.197 32.126 1.00 0.00 H ATOM 1096 HD2 TYR A 74 12.660 3.767 30.819 1.00 0.00 H ATOM 1097 HE2 TYR A 74 14.281 5.625 30.575 1.00 0.00 H ATOM 1098 HE1 TYR A 74 15.977 4.638 34.387 1.00 0.00 H ATOM 1099 HD1 TYR A 74 14.290 2.847 34.668 1.00 0.00 H ATOM 1100 HH TYR A 74 16.619 6.387 33.208 1.00 0.00 H ATOM 1101 H TYR A 74 12.633 0.657 30.869 1.00 0.00 H ATOM 1102 N ILE A 75 10.631 -0.547 32.570 1.00 48.57 N ATOM 1103 CA ILE A 75 9.311 -1.140 32.828 1.00 48.40 C ATOM 1104 C ILE A 75 9.324 -2.648 32.589 1.00 52.46 C ATOM 1105 O ILE A 75 8.276 -3.318 32.617 1.00 52.09 O ATOM 1106 CB ILE A 75 8.319 -0.426 31.858 1.00 51.43 C ATOM 1107 CG1 ILE A 75 8.575 1.113 31.718 1.00 51.76 C ATOM 1108 CG2 ILE A 75 6.857 -0.757 32.131 1.00 52.15 C ATOM 1109 CD1 ILE A 75 8.112 2.017 32.879 1.00 58.51 C ATOM 1110 HA ILE A 75 9.016 -1.002 33.868 1.00 0.00 H ATOM 1111 HB ILE A 75 8.540 -0.850 30.878 1.00 0.00 H ATOM 1112 HG12 ILE A 75 9.649 1.257 31.599 1.00 0.00 H ATOM 1113 HG13 ILE A 75 8.063 1.450 30.817 1.00 0.00 H ATOM 1114 HD11 ILE A 75 7.035 1.913 33.012 1.00 0.00 H ATOM 1115 HD12 ILE A 75 8.623 1.720 33.795 1.00 0.00 H ATOM 1116 HD13 ILE A 75 8.352 3.055 32.648 1.00 0.00 H ATOM 1117 HG21 ILE A 75 6.703 -1.831 32.024 1.00 0.00 H ATOM 1118 HG22 ILE A 75 6.600 -0.451 33.145 1.00 0.00 H ATOM 1119 HG23 ILE A 75 6.226 -0.225 31.419 1.00 0.00 H ATOM 1120 H ILE A 75 10.920 -0.451 31.575 1.00 0.00 H ATOM 1121 N ILE A 76 10.508 -3.190 32.356 1.00 49.11 N ATOM 1122 CA ILE A 76 10.653 -4.564 31.983 1.00 49.03 C ATOM 1123 C ILE A 76 11.514 -5.384 32.963 1.00 53.30 C ATOM 1124 O ILE A 76 12.525 -4.886 33.471 1.00 52.96 O ATOM 1125 CB ILE A 76 11.140 -4.526 30.516 1.00 52.06 C ATOM 1126 CG1 ILE A 76 10.143 -5.167 29.519 1.00 52.40 C ATOM 1127 CG2 ILE A 76 12.622 -4.818 30.305 1.00 52.72 C ATOM 1128 CD1 ILE A 76 10.560 -6.423 28.793 1.00 58.37 C ATOM 1129 HA ILE A 76 9.714 -5.114 32.046 1.00 0.00 H ATOM 1130 HB ILE A 76 11.118 -3.472 30.237 1.00 0.00 H ATOM 1131 HG12 ILE A 76 9.236 -5.403 30.076 1.00 0.00 H ATOM 1132 HG13 ILE A 76 9.917 -4.417 28.761 1.00 0.00 H ATOM 1133 HD11 ILE A 76 11.454 -6.220 28.203 1.00 0.00 H ATOM 1134 HD12 ILE A 76 10.772 -7.207 29.519 1.00 0.00 H ATOM 1135 HD13 ILE A 76 9.754 -6.745 28.134 1.00 0.00 H ATOM 1136 HG21 ILE A 76 13.217 -4.081 30.845 1.00 0.00 H ATOM 1137 HG22 ILE A 76 12.851 -5.816 30.679 1.00 0.00 H ATOM 1138 HG23 ILE A 76 12.854 -4.765 29.241 1.00 0.00 H ATOM 1139 H ILE A 76 11.359 -2.600 32.447 1.00 0.00 H ATOM 1140 N PRO A 77 11.108 -6.640 33.243 1.00 50.11 N ATOM 1141 CA PRO A 77 11.878 -7.476 34.173 1.00 50.03 C ATOM 1142 C PRO A 77 12.873 -8.448 33.512 1.00 54.17 C ATOM 1143 O PRO A 77 13.663 -9.061 34.234 1.00 53.88 O ATOM 1144 CB PRO A 77 10.773 -8.250 34.896 1.00 51.77 C ATOM 1145 CG PRO A 77 9.658 -8.358 33.876 1.00 56.19 C ATOM 1146 CD PRO A 77 9.904 -7.355 32.776 1.00 51.71 C ATOM 1147 HA PRO A 77 12.522 -6.867 34.807 1.00 0.00 H ATOM 1148 HD3 PRO A 77 10.088 -7.854 31.824 1.00 0.00 H ATOM 1149 HD2 PRO A 77 9.060 -6.674 32.670 1.00 0.00 H ATOM 1150 HG3 PRO A 77 8.702 -8.149 34.355 1.00 0.00 H ATOM 1151 HG2 PRO A 77 9.641 -9.364 33.457 1.00 0.00 H ATOM 1152 HB2 PRO A 77 11.124 -9.239 35.190 1.00 0.00 H ATOM 1153 HB3 PRO A 77 10.437 -7.707 35.779 1.00 0.00 H ATOM 1154 N ASP A 78 12.825 -8.617 32.170 1.00 50.67 N ATOM 1155 CA ASP A 78 13.678 -9.590 31.481 1.00 50.40 C ATOM 1156 C ASP A 78 14.769 -9.101 30.519 1.00 53.79 C ATOM 1157 O ASP A 78 14.844 -7.916 30.188 1.00 53.33 O ATOM 1158 CB ASP A 78 12.863 -10.768 30.903 1.00 52.29 C ATOM 1159 CG ASP A 78 11.608 -10.397 30.135 1.00 62.09 C ATOM 1160 OD1 ASP A 78 10.516 -10.866 30.524 1.00 62.52 O ATOM 1161 OD2 ASP A 78 11.723 -9.674 29.120 1.00 67.93 O ATOM 1162 HA ASP A 78 14.299 -9.932 32.309 1.00 0.00 H ATOM 1163 HB2 ASP A 78 13.514 -11.325 30.229 1.00 0.00 H ATOM 1164 HB3 ASP A 78 12.568 -11.409 31.734 1.00 0.00 H ATOM 1165 H ASP A 78 12.164 -8.040 31.612 1.00 0.00 H ATOM 1166 N ASP A 79 15.632 -10.056 30.109 1.00 50.17 N ATOM 1167 CA ASP A 79 16.791 -9.920 29.230 1.00 49.87 C ATOM 1168 C ASP A 79 16.416 -9.435 27.825 1.00 53.54 C ATOM 1169 O ASP A 79 16.300 -10.232 26.888 1.00 53.13 O ATOM 1170 CB ASP A 79 17.561 -11.258 29.190 1.00 51.63 C ATOM 1171 CG ASP A 79 18.983 -11.172 28.675 1.00 60.73 C ATOM 1172 OD1 ASP A 79 19.707 -10.235 29.081 1.00 61.14 O ATOM 1173 OD2 ASP A 79 19.394 -12.079 27.922 1.00 66.51 O ATOM 1174 HA ASP A 79 17.440 -9.146 29.640 1.00 0.00 H ATOM 1175 HB2 ASP A 79 17.593 -11.659 30.203 1.00 0.00 H ATOM 1176 HB3 ASP A 79 17.011 -11.944 28.547 1.00 0.00 H ATOM 1177 H ASP A 79 15.447 -11.015 30.466 1.00 0.00 H ATOM 1178 N VAL A 80 16.231 -8.114 27.689 1.00 50.19 N ATOM 1179 CA VAL A 80 15.854 -7.474 26.429 1.00 50.02 C ATOM 1180 C VAL A 80 16.886 -6.415 25.966 1.00 53.75 C ATOM 1181 O VAL A 80 16.794 -5.933 24.838 1.00 53.35 O ATOM 1182 CB VAL A 80 14.386 -6.955 26.500 1.00 54.02 C ATOM 1183 CG1 VAL A 80 14.294 -5.577 27.150 1.00 53.82 C ATOM 1184 CG2 VAL A 80 13.713 -6.968 25.132 1.00 53.88 C ATOM 1185 HA VAL A 80 15.877 -8.225 25.640 1.00 0.00 H ATOM 1186 HB VAL A 80 13.841 -7.649 27.140 1.00 0.00 H ATOM 1187 HG11 VAL A 80 14.685 -5.629 28.166 1.00 0.00 H ATOM 1188 HG12 VAL A 80 14.879 -4.863 26.570 1.00 0.00 H ATOM 1189 HG13 VAL A 80 13.252 -5.258 27.177 1.00 0.00 H ATOM 1190 HG21 VAL A 80 14.270 -6.327 24.448 1.00 0.00 H ATOM 1191 HG22 VAL A 80 13.698 -7.987 24.746 1.00 0.00 H ATOM 1192 HG23 VAL A 80 12.692 -6.599 25.227 1.00 0.00 H ATOM 1193 H VAL A 80 16.363 -7.511 28.526 1.00 0.00 H ATOM 1194 N LYS A 81 17.881 -6.097 26.829 1.00 50.22 N ATOM 1195 CA LYS A 81 18.938 -5.101 26.597 1.00 49.99 C ATOM 1196 C LYS A 81 19.678 -5.200 25.257 1.00 53.61 C ATOM 1197 O LYS A 81 19.729 -4.201 24.544 1.00 53.22 O ATOM 1198 CB LYS A 81 19.924 -5.089 27.756 1.00 50.74 C ATOM 1199 HA LYS A 81 18.406 -4.152 26.538 1.00 0.00 H ATOM 1200 HB2 LYS A 81 19.397 -4.839 28.677 1.00 0.00 H ATOM 1201 HB3 LYS A 81 20.380 -6.074 27.853 1.00 0.00 H ATOM 1202 H LYS A 81 17.899 -6.603 27.737 1.00 0.00 H ATOM 1203 N ALA A 82 20.230 -6.384 24.908 1.00 49.94 N ATOM 1204 CA ALA A 82 20.962 -6.597 23.650 1.00 49.67 C ATOM 1205 C ALA A 82 20.056 -6.460 22.420 1.00 53.36 C ATOM 1206 O ALA A 82 20.478 -5.883 21.414 1.00 52.86 O ATOM 1207 CB ALA A 82 21.646 -7.955 23.658 1.00 50.40 C ATOM 1208 HA ALA A 82 21.719 -5.816 23.581 1.00 0.00 H ATOM 1209 HB1 ALA A 82 22.348 -8.002 24.490 1.00 0.00 H ATOM 1210 HB2 ALA A 82 20.896 -8.738 23.770 1.00 0.00 H ATOM 1211 HB3 ALA A 82 22.183 -8.096 22.720 1.00 0.00 H ATOM 1212 H ALA A 82 20.132 -7.186 25.563 1.00 0.00 H ATOM 1213 N ALA A 83 18.810 -6.972 22.515 1.00 49.76 N ATOM 1214 CA ALA A 83 17.803 -6.903 21.456 1.00 49.49 C ATOM 1215 C ALA A 83 17.328 -5.458 21.258 1.00 53.11 C ATOM 1216 O ALA A 83 17.205 -5.014 20.116 1.00 52.64 O ATOM 1217 CB ALA A 83 16.625 -7.807 21.791 1.00 50.24 C ATOM 1218 HA ALA A 83 18.254 -7.247 20.525 1.00 0.00 H ATOM 1219 HB1 ALA A 83 16.973 -8.835 21.886 1.00 0.00 H ATOM 1220 HB2 ALA A 83 16.177 -7.485 22.731 1.00 0.00 H ATOM 1221 HB3 ALA A 83 15.884 -7.746 20.994 1.00 0.00 H ATOM 1222 H ALA A 83 18.548 -7.448 23.402 1.00 0.00 H ATOM 1223 N VAL A 84 17.095 -4.722 22.371 1.00 49.56 N ATOM 1224 CA VAL A 84 16.664 -3.319 22.370 1.00 49.31 C ATOM 1225 C VAL A 84 17.791 -2.403 21.872 1.00 53.07 C ATOM 1226 O VAL A 84 17.562 -1.633 20.936 1.00 52.72 O ATOM 1227 CB VAL A 84 16.056 -2.876 23.736 1.00 53.22 C ATOM 1228 CG1 VAL A 84 16.017 -1.355 23.888 1.00 53.07 C ATOM 1229 CG2 VAL A 84 14.662 -3.466 23.929 1.00 53.00 C ATOM 1230 HA VAL A 84 15.843 -3.222 21.659 1.00 0.00 H ATOM 1231 HB VAL A 84 16.713 -3.264 24.514 1.00 0.00 H ATOM 1232 HG11 VAL A 84 17.030 -0.959 23.825 1.00 0.00 H ATOM 1233 HG12 VAL A 84 15.408 -0.927 23.092 1.00 0.00 H ATOM 1234 HG13 VAL A 84 15.585 -1.099 24.855 1.00 0.00 H ATOM 1235 HG21 VAL A 84 14.009 -3.123 23.127 1.00 0.00 H ATOM 1236 HG22 VAL A 84 14.723 -4.554 23.909 1.00 0.00 H ATOM 1237 HG23 VAL A 84 14.261 -3.141 24.889 1.00 0.00 H ATOM 1238 H VAL A 84 17.231 -5.184 23.293 1.00 0.00 H ATOM 1239 N ASP A 85 19.010 -2.514 22.465 1.00 49.48 N ATOM 1240 CA ASP A 85 20.183 -1.710 22.090 1.00 49.17 C ATOM 1241 C ASP A 85 20.539 -1.782 20.607 1.00 52.22 C ATOM 1242 O ASP A 85 21.026 -0.792 20.064 1.00 51.77 O ATOM 1243 CB ASP A 85 21.409 -2.007 22.976 1.00 51.15 C ATOM 1244 CG ASP A 85 21.359 -1.427 24.383 1.00 62.02 C ATOM 1245 OD1 ASP A 85 20.426 -0.641 24.677 1.00 62.67 O ATOM 1246 OD2 ASP A 85 22.259 -1.748 25.187 1.00 68.33 O ATOM 1247 HA ASP A 85 19.880 -0.679 22.275 1.00 0.00 H ATOM 1248 HB2 ASP A 85 21.507 -3.089 23.062 1.00 0.00 H ATOM 1249 HB3 ASP A 85 22.290 -1.602 22.477 1.00 0.00 H ATOM 1250 H ASP A 85 19.119 -3.210 23.230 1.00 0.00 H ATOM 1251 N HIS A 86 20.272 -2.929 19.949 1.00 48.13 N ATOM 1252 CA HIS A 86 20.520 -3.103 18.519 1.00 47.76 C ATOM 1253 C HIS A 86 19.460 -2.369 17.691 1.00 50.79 C ATOM 1254 O HIS A 86 19.815 -1.688 16.725 1.00 50.29 O ATOM 1255 CB HIS A 86 20.595 -4.589 18.135 1.00 48.62 C ATOM 1256 CG HIS A 86 20.818 -4.817 16.671 1.00 52.12 C ATOM 1257 ND1 HIS A 86 22.020 -4.501 16.063 1.00 53.94 N ATOM 1258 CD2 HIS A 86 19.973 -5.307 15.737 1.00 53.86 C ATOM 1259 CE1 HIS A 86 21.869 -4.815 14.787 1.00 53.34 C ATOM 1260 NE2 HIS A 86 20.655 -5.309 14.545 1.00 53.64 N ATOM 1261 HA HIS A 86 21.491 -2.662 18.294 1.00 0.00 H ATOM 1262 HB2 HIS A 86 21.417 -5.047 18.685 1.00 0.00 H ATOM 1263 HB3 HIS A 86 19.658 -5.067 18.420 1.00 0.00 H ATOM 1264 HD2 HIS A 86 18.947 -5.637 15.899 1.00 0.00 H ATOM 1265 HE1 HIS A 86 22.641 -4.686 14.028 1.00 0.00 H ATOM 1266 H HIS A 86 19.871 -3.726 20.484 1.00 0.00 H ATOM 1267 N LEU A 87 18.167 -2.502 18.070 1.00 46.72 N ATOM 1268 CA LEU A 87 17.050 -1.839 17.388 1.00 46.31 C ATOM 1269 C LEU A 87 17.125 -0.320 17.547 1.00 49.55 C ATOM 1270 O LEU A 87 16.793 0.398 16.609 1.00 49.15 O ATOM 1271 CB LEU A 87 15.683 -2.376 17.859 1.00 46.36 C ATOM 1272 CG LEU A 87 15.356 -3.842 17.528 1.00 51.08 C ATOM 1273 CD1 LEU A 87 14.177 -4.332 18.339 1.00 51.24 C ATOM 1274 CD2 LEU A 87 15.089 -4.045 16.040 1.00 53.60 C ATOM 1275 HA LEU A 87 17.142 -2.073 16.328 1.00 0.00 H ATOM 1276 HB2 LEU A 87 15.642 -2.266 18.943 1.00 0.00 H ATOM 1277 HB3 LEU A 87 14.911 -1.756 17.403 1.00 0.00 H ATOM 1278 HG LEU A 87 16.235 -4.430 17.794 1.00 0.00 H ATOM 1279 HD21 LEU A 87 14.242 -3.430 15.737 1.00 0.00 H ATOM 1280 HD22 LEU A 87 15.972 -3.755 15.471 1.00 0.00 H ATOM 1281 HD23 LEU A 87 14.863 -5.095 15.853 1.00 0.00 H ATOM 1282 HD11 LEU A 87 14.412 -4.257 19.401 1.00 0.00 H ATOM 1283 HD12 LEU A 87 13.304 -3.720 18.115 1.00 0.00 H ATOM 1284 HD13 LEU A 87 13.969 -5.371 18.084 1.00 0.00 H ATOM 1285 H LEU A 87 17.954 -3.107 18.889 1.00 0.00 H ATOM 1286 N THR A 88 17.597 0.164 18.714 1.00 45.71 N ATOM 1287 CA THR A 88 17.770 1.597 18.981 1.00 45.41 C ATOM 1288 C THR A 88 18.993 2.145 18.235 1.00 48.61 C ATOM 1289 O THR A 88 19.017 3.325 17.885 1.00 48.17 O ATOM 1290 CB THR A 88 17.828 1.890 20.484 1.00 54.50 C ATOM 1291 OG1 THR A 88 18.896 1.148 21.070 1.00 55.27 O ATOM 1292 CG2 THR A 88 16.517 1.588 21.193 1.00 53.25 C ATOM 1293 HA THR A 88 16.893 2.120 18.599 1.00 0.00 H ATOM 1294 HB THR A 88 18.006 2.959 20.606 1.00 0.00 H ATOM 1295 HG1 THR A 88 18.742 0.181 20.927 1.00 0.00 H ATOM 1296 HG23 THR A 88 15.715 2.164 20.731 1.00 0.00 H ATOM 1297 HG21 THR A 88 16.297 0.524 21.109 1.00 0.00 H ATOM 1298 HG22 THR A 88 16.603 1.861 22.245 1.00 0.00 H ATOM 1299 H THR A 88 17.851 -0.512 19.462 1.00 0.00 H ATOM 1300 N ARG A 89 20.004 1.287 17.991 1.00 44.69 N ATOM 1301 CA ARG A 89 21.225 1.644 17.261 1.00 44.12 C ATOM 1302 C ARG A 89 20.919 1.764 15.766 1.00 46.11 C ATOM 1303 O ARG A 89 21.392 2.697 15.117 1.00 45.67 O ATOM 1304 CB ARG A 89 22.318 0.583 17.492 1.00 45.36 C ATOM 1305 CG ARG A 89 23.696 0.946 16.935 1.00 58.02 C ATOM 1306 CD ARG A 89 24.659 -0.228 16.976 1.00 70.84 C ATOM 1307 NE ARG A 89 25.311 -0.370 18.280 1.00 82.40 N ATOM 1308 CZ ARG A 89 26.158 -1.345 18.598 1.00 98.67 C ATOM 1309 NH1 ARG A 89 26.461 -2.285 17.708 1.00 86.73 N ATOM 1310 NH2 ARG A 89 26.704 -1.392 19.804 1.00 86.37 N ATOM 1311 HA ARG A 89 21.588 2.603 17.631 1.00 0.00 H ATOM 1312 HB2 ARG A 89 22.417 0.427 18.566 1.00 0.00 H ATOM 1313 HB3 ARG A 89 21.995 -0.345 17.019 1.00 0.00 H ATOM 1314 HG2 ARG A 89 23.582 1.271 15.901 1.00 0.00 H ATOM 1315 HG3 ARG A 89 24.111 1.761 17.528 1.00 0.00 H ATOM 1316 HD2 ARG A 89 25.425 -0.079 16.215 1.00 0.00 H ATOM 1317 HD3 ARG A 89 24.106 -1.142 16.759 1.00 0.00 H ATOM 1318 HE ARG A 89 25.097 0.341 19.008 1.00 0.00 H ATOM 1319 HH12 ARG A 89 27.124 -3.046 17.960 1.00 0.00 H ATOM 1320 HH11 ARG A 89 26.035 -2.260 16.759 1.00 0.00 H ATOM 1321 HH22 ARG A 89 27.365 -2.157 20.046 1.00 0.00 H ATOM 1322 HH21 ARG A 89 26.471 -0.664 20.509 1.00 0.00 H ATOM 1323 H ARG A 89 19.912 0.312 18.342 1.00 0.00 H ATOM 1324 N GLU A 90 20.147 0.805 15.230 1.00 40.95 N ATOM 1325 CA GLU A 90 19.784 0.725 13.821 1.00 40.06 C ATOM 1326 C GLU A 90 18.578 1.567 13.413 1.00 42.33 C ATOM 1327 O GLU A 90 18.482 1.920 12.235 1.00 41.80 O ATOM 1328 CB GLU A 90 19.528 -0.745 13.418 1.00 41.44 C ATOM 1329 CG GLU A 90 20.778 -1.587 13.208 1.00 51.88 C ATOM 1330 CD GLU A 90 21.797 -1.026 12.236 1.00 69.70 C ATOM 1331 OE1 GLU A 90 21.433 -0.760 11.067 1.00 64.81 O ATOM 1332 OE2 GLU A 90 22.961 -0.830 12.654 1.00 60.90 O ATOM 1333 HA GLU A 90 20.639 1.142 13.290 1.00 0.00 H ATOM 1334 HB2 GLU A 90 18.935 -1.212 14.204 1.00 0.00 H ATOM 1335 HB3 GLU A 90 18.960 -0.746 12.487 1.00 0.00 H ATOM 1336 HG2 GLU A 90 21.268 -1.706 14.175 1.00 0.00 H ATOM 1337 HG3 GLU A 90 20.465 -2.564 12.838 1.00 0.00 H ATOM 1338 H GLU A 90 19.782 0.067 15.866 1.00 0.00 H ATOM 1339 N CYS A 91 17.631 1.838 14.347 1.00 37.70 N ATOM 1340 CA CYS A 91 16.365 2.501 14.005 1.00 36.96 C ATOM 1341 C CYS A 91 15.895 3.738 14.793 1.00 40.66 C ATOM 1342 O CYS A 91 14.830 4.258 14.451 1.00 40.53 O ATOM 1343 CB CYS A 91 15.247 1.462 13.915 1.00 36.88 C ATOM 1344 SG CYS A 91 15.691 -0.040 13.010 1.00 40.78 S ATOM 1345 HA CYS A 91 16.609 2.959 13.047 1.00 0.00 H ATOM 1346 HB2 CYS A 91 14.394 1.921 13.415 1.00 0.00 H ATOM 1347 HB3 CYS A 91 14.963 1.178 14.928 1.00 0.00 H ATOM 1348 H CYS A 91 17.807 1.568 15.336 1.00 0.00 H ATOM 1349 N SER A 92 16.612 4.208 15.831 1.00 36.87 N ATOM 1350 CA SER A 92 16.083 5.351 16.596 1.00 36.55 C ATOM 1351 C SER A 92 16.312 6.783 16.051 1.00 39.99 C ATOM 1352 O SER A 92 16.138 7.753 16.791 1.00 39.65 O ATOM 1353 CB SER A 92 16.355 5.217 18.094 1.00 40.03 C ATOM 1354 OG SER A 92 17.623 5.731 18.467 1.00 48.54 O ATOM 1355 HA SER A 92 15.011 5.255 16.425 1.00 0.00 H ATOM 1356 HB2 SER A 92 16.313 4.162 18.364 1.00 0.00 H ATOM 1357 HB3 SER A 92 15.584 5.761 18.639 1.00 0.00 H ATOM 1358 HG SER A 92 18.333 5.238 17.984 1.00 0.00 H ATOM 1359 H SER A 92 17.521 3.773 16.088 1.00 0.00 H ATOM 1360 N HIS A 93 16.630 6.910 14.748 1.00 36.24 N ATOM 1361 CA HIS A 93 16.845 8.192 14.066 1.00 35.77 C ATOM 1362 C HIS A 93 15.616 8.632 13.247 1.00 38.37 C ATOM 1363 O HIS A 93 15.513 9.805 12.876 1.00 38.00 O ATOM 1364 CB HIS A 93 18.083 8.111 13.165 1.00 36.62 C ATOM 1365 CG HIS A 93 18.009 7.007 12.159 1.00 40.12 C ATOM 1366 ND1 HIS A 93 18.326 5.703 12.496 1.00 41.98 N ATOM 1367 CD2 HIS A 93 17.631 7.043 10.861 1.00 41.95 C ATOM 1368 CE1 HIS A 93 18.133 4.993 11.398 1.00 41.43 C ATOM 1369 NE2 HIS A 93 17.722 5.758 10.387 1.00 41.74 N ATOM 1370 HA HIS A 93 17.006 8.946 14.836 1.00 0.00 H ATOM 1371 HB2 HIS A 93 18.188 9.057 12.634 1.00 0.00 H ATOM 1372 HB3 HIS A 93 18.959 7.949 13.793 1.00 0.00 H ATOM 1373 HD2 HIS A 93 17.315 7.922 10.300 1.00 0.00 H ATOM 1374 HE1 HIS A 93 18.290 3.917 11.328 1.00 0.00 H ATOM 1375 H HIS A 93 16.730 6.040 14.187 1.00 0.00 H ATOM 1376 N ILE A 94 14.712 7.674 12.944 1.00 34.02 N ATOM 1377 CA ILE A 94 13.493 7.859 12.146 1.00 33.40 C ATOM 1378 C ILE A 94 12.595 8.971 12.700 1.00 36.18 C ATOM 1379 O ILE A 94 12.098 8.850 13.821 1.00 35.94 O ATOM 1380 CB ILE A 94 12.709 6.520 11.975 1.00 36.56 C ATOM 1381 CG1 ILE A 94 13.593 5.340 11.459 1.00 36.99 C ATOM 1382 CG2 ILE A 94 11.417 6.711 11.164 1.00 37.31 C ATOM 1383 CD1 ILE A 94 13.892 5.248 9.924 1.00 44.45 C ATOM 1384 HA ILE A 94 13.814 8.181 11.155 1.00 0.00 H ATOM 1385 HB ILE A 94 12.404 6.217 12.977 1.00 0.00 H ATOM 1386 HG12 ILE A 94 14.553 5.408 11.971 1.00 0.00 H ATOM 1387 HG13 ILE A 94 13.095 4.414 11.746 1.00 0.00 H ATOM 1388 HD11 ILE A 94 12.954 5.154 9.377 1.00 0.00 H ATOM 1389 HD12 ILE A 94 14.413 6.150 9.602 1.00 0.00 H ATOM 1390 HD13 ILE A 94 14.516 4.376 9.728 1.00 0.00 H ATOM 1391 HG21 ILE A 94 10.770 7.423 11.676 1.00 0.00 H ATOM 1392 HG22 ILE A 94 11.665 7.091 10.173 1.00 0.00 H ATOM 1393 HG23 ILE A 94 10.904 5.754 11.070 1.00 0.00 H ATOM 1394 H ILE A 94 14.897 6.718 13.310 1.00 0.00 H ATOM 1395 N VAL A 95 12.420 10.058 11.914 1.00 31.73 N ATOM 1396 CA VAL A 95 11.565 11.222 12.203 1.00 31.28 C ATOM 1397 C VAL A 95 10.963 11.728 10.891 1.00 33.77 C ATOM 1398 O VAL A 95 11.688 11.948 9.919 1.00 33.04 O ATOM 1399 CB VAL A 95 12.258 12.374 12.995 1.00 35.44 C ATOM 1400 CG1 VAL A 95 11.345 13.594 13.131 1.00 35.42 C ATOM 1401 CG2 VAL A 95 12.686 11.913 14.373 1.00 35.27 C ATOM 1402 HA VAL A 95 10.783 10.877 12.880 1.00 0.00 H ATOM 1403 HB VAL A 95 13.141 12.659 12.423 1.00 0.00 H ATOM 1404 HG11 VAL A 95 11.086 13.965 12.139 1.00 0.00 H ATOM 1405 HG12 VAL A 95 10.437 13.309 13.662 1.00 0.00 H ATOM 1406 HG13 VAL A 95 11.864 14.374 13.688 1.00 0.00 H ATOM 1407 HG21 VAL A 95 11.811 11.584 14.933 1.00 0.00 H ATOM 1408 HG22 VAL A 95 13.389 11.086 14.276 1.00 0.00 H ATOM 1409 HG23 VAL A 95 13.165 12.739 14.898 1.00 0.00 H ATOM 1410 H VAL A 95 12.942 10.073 11.015 1.00 0.00 H ATOM 1411 N THR A 96 9.631 11.882 10.861 1.00 29.52 N ATOM 1412 CA THR A 96 8.883 12.401 9.705 1.00 28.88 C ATOM 1413 C THR A 96 7.831 13.430 10.222 1.00 31.82 C ATOM 1414 O THR A 96 7.560 13.414 11.426 1.00 31.22 O ATOM 1415 CB THR A 96 8.333 11.262 8.764 1.00 35.63 C ATOM 1416 OG1 THR A 96 6.923 11.058 8.921 1.00 33.80 O ATOM 1417 CG2 THR A 96 9.075 9.927 8.870 1.00 33.92 C ATOM 1418 HA THR A 96 9.550 12.939 9.031 1.00 0.00 H ATOM 1419 HB THR A 96 8.527 11.640 7.760 1.00 0.00 H ATOM 1420 HG1 THR A 96 6.730 10.802 9.858 1.00 0.00 H ATOM 1421 HG23 THR A 96 10.145 10.097 8.749 1.00 0.00 H ATOM 1422 HG21 THR A 96 8.885 9.484 9.847 1.00 0.00 H ATOM 1423 HG22 THR A 96 8.722 9.254 8.089 1.00 0.00 H ATOM 1424 H THR A 96 9.092 11.617 11.710 1.00 0.00 H ATOM 1425 N PRO A 97 7.230 14.329 9.389 1.00 28.07 N ATOM 1426 CA PRO A 97 6.224 15.270 9.934 1.00 27.71 C ATOM 1427 C PRO A 97 4.902 14.621 10.367 1.00 30.87 C ATOM 1428 O PRO A 97 4.069 15.295 10.974 1.00 30.72 O ATOM 1429 CB PRO A 97 6.003 16.280 8.797 1.00 29.51 C ATOM 1430 CG PRO A 97 6.970 15.925 7.723 1.00 34.00 C ATOM 1431 CD PRO A 97 7.403 14.520 7.935 1.00 29.56 C ATOM 1432 HA PRO A 97 6.589 15.719 10.858 1.00 0.00 H ATOM 1433 HD3 PRO A 97 6.776 13.828 7.372 1.00 0.00 H ATOM 1434 HD2 PRO A 97 8.444 14.383 7.644 1.00 0.00 H ATOM 1435 HG3 PRO A 97 7.833 16.589 7.769 1.00 0.00 H ATOM 1436 HG2 PRO A 97 6.491 16.021 6.748 1.00 0.00 H ATOM 1437 HB2 PRO A 97 4.982 16.209 8.423 1.00 0.00 H ATOM 1438 HB3 PRO A 97 6.189 17.294 9.152 1.00 0.00 H ATOM 1439 N ASP A 98 4.716 13.319 10.064 1.00 26.78 N ATOM 1440 CA ASP A 98 3.518 12.549 10.399 1.00 26.31 C ATOM 1441 C ASP A 98 3.846 11.442 11.402 1.00 29.29 C ATOM 1442 O ASP A 98 4.650 10.560 11.090 1.00 28.61 O ATOM 1443 CB ASP A 98 2.902 11.956 9.123 1.00 28.09 C ATOM 1444 CG ASP A 98 1.517 11.393 9.328 1.00 37.45 C ATOM 1445 OD1 ASP A 98 0.542 12.120 9.066 1.00 37.64 O ATOM 1446 OD2 ASP A 98 1.409 10.221 9.740 1.00 43.24 O ATOM 1447 HA ASP A 98 2.793 13.218 10.862 1.00 0.00 H ATOM 1448 HB2 ASP A 98 2.847 12.741 8.369 1.00 0.00 H ATOM 1449 HB3 ASP A 98 3.551 11.156 8.766 1.00 0.00 H ATOM 1450 H ASP A 98 5.479 12.828 9.556 1.00 0.00 H ATOM 1451 N LYS A 99 3.201 11.473 12.590 1.00 25.42 N ATOM 1452 CA LYS A 99 3.406 10.497 13.672 1.00 24.93 C ATOM 1453 C LYS A 99 3.137 9.044 13.271 1.00 27.46 C ATOM 1454 O LYS A 99 3.863 8.153 13.715 1.00 26.69 O ATOM 1455 CB LYS A 99 2.620 10.876 14.931 1.00 27.68 C ATOM 1456 CG LYS A 99 3.240 12.036 15.701 1.00 44.24 C ATOM 1457 CD LYS A 99 2.512 12.299 17.008 1.00 55.12 C ATOM 1458 CE LYS A 99 2.632 13.743 17.459 1.00 66.80 C ATOM 1459 NZ LYS A 99 1.471 14.155 18.306 1.00 76.49 N ATOM 1460 HA LYS A 99 4.471 10.546 13.898 1.00 0.00 H ATOM 1461 HB2 LYS A 99 1.609 11.157 14.637 1.00 0.00 H ATOM 1462 HB3 LYS A 99 2.578 10.007 15.588 1.00 0.00 H ATOM 1463 HG2 LYS A 99 4.281 11.799 15.918 1.00 0.00 H ATOM 1464 HG3 LYS A 99 3.194 12.934 15.084 1.00 0.00 H ATOM 1465 HD2 LYS A 99 1.457 12.060 16.875 1.00 0.00 H ATOM 1466 HD3 LYS A 99 2.934 11.655 17.780 1.00 0.00 H ATOM 1467 HE2 LYS A 99 2.674 14.386 16.580 1.00 0.00 H ATOM 1468 HE3 LYS A 99 3.549 13.858 18.036 1.00 0.00 H ATOM 1469 HZ1 LYS A 99 0.592 14.054 17.760 1.00 0.00 H ATOM 1470 HZ2 LYS A 99 1.428 13.550 19.151 1.00 0.00 H ATOM 1471 HZ3 LYS A 99 1.589 15.147 18.595 1.00 0.00 H ATOM 1472 H LYS A 99 2.514 12.238 12.750 1.00 0.00 H ATOM 1473 N CYS A 100 2.127 8.815 12.414 1.00 23.33 N ATOM 1474 CA CYS A 100 1.770 7.487 11.916 1.00 23.03 C ATOM 1475 C CYS A 100 2.827 6.978 10.942 1.00 26.60 C ATOM 1476 O CYS A 100 3.150 5.791 10.966 1.00 26.04 O ATOM 1477 CB CYS A 100 0.381 7.498 11.288 1.00 23.29 C ATOM 1478 SG CYS A 100 -0.921 8.084 12.400 1.00 27.10 S ATOM 1479 HA CYS A 100 1.739 6.797 12.759 1.00 0.00 H ATOM 1480 HB2 CYS A 100 0.136 6.482 10.977 1.00 0.00 H ATOM 1481 HB3 CYS A 100 0.404 8.148 10.414 1.00 0.00 H ATOM 1482 H CYS A 100 1.568 9.628 12.086 1.00 0.00 H ATOM 1483 N GLU A 101 3.382 7.885 10.109 1.00 23.27 N ATOM 1484 CA GLU A 101 4.443 7.569 9.155 1.00 22.99 C ATOM 1485 C GLU A 101 5.747 7.244 9.888 1.00 26.09 C ATOM 1486 O GLU A 101 6.395 6.261 9.530 1.00 25.60 O ATOM 1487 CB GLU A 101 4.655 8.710 8.147 1.00 24.39 C ATOM 1488 CG GLU A 101 3.677 8.715 6.983 1.00 35.23 C ATOM 1489 CD GLU A 101 3.811 7.618 5.940 1.00 55.13 C ATOM 1490 OE1 GLU A 101 4.905 7.022 5.814 1.00 45.97 O ATOM 1491 OE2 GLU A 101 2.816 7.382 5.218 1.00 51.46 O ATOM 1492 HA GLU A 101 4.132 6.688 8.593 1.00 0.00 H ATOM 1493 HB2 GLU A 101 4.556 9.657 8.679 1.00 0.00 H ATOM 1494 HB3 GLU A 101 5.664 8.625 7.744 1.00 0.00 H ATOM 1495 HG2 GLU A 101 2.673 8.645 7.401 1.00 0.00 H ATOM 1496 HG3 GLU A 101 3.789 9.669 6.468 1.00 0.00 H ATOM 1497 H GLU A 101 3.034 8.864 10.149 1.00 0.00 H ATOM 1498 N THR A 102 6.108 8.036 10.935 1.00 22.39 N ATOM 1499 CA THR A 102 7.324 7.787 11.736 1.00 22.13 C ATOM 1500 C THR A 102 7.238 6.410 12.405 1.00 26.09 C ATOM 1501 O THR A 102 8.209 5.661 12.351 1.00 25.85 O ATOM 1502 CB THR A 102 7.635 8.935 12.742 1.00 29.34 C ATOM 1503 OG1 THR A 102 7.519 10.210 12.106 1.00 28.83 O ATOM 1504 CG2 THR A 102 8.983 8.801 13.407 1.00 28.65 C ATOM 1505 HA THR A 102 8.177 7.778 11.058 1.00 0.00 H ATOM 1506 HB THR A 102 6.890 8.854 13.533 1.00 0.00 H ATOM 1507 HG1 THR A 102 6.597 10.324 11.764 1.00 0.00 H ATOM 1508 HG23 THR A 102 9.055 7.825 13.886 1.00 0.00 H ATOM 1509 HG21 THR A 102 9.768 8.897 12.657 1.00 0.00 H ATOM 1510 HG22 THR A 102 9.097 9.584 14.156 1.00 0.00 H ATOM 1511 H THR A 102 5.505 8.847 11.180 1.00 0.00 H ATOM 1512 N ALA A 103 6.070 6.070 12.985 1.00 22.59 N ATOM 1513 CA ALA A 103 5.826 4.783 13.638 1.00 22.39 C ATOM 1514 C ALA A 103 5.903 3.627 12.642 1.00 26.31 C ATOM 1515 O ALA A 103 6.451 2.574 12.972 1.00 25.49 O ATOM 1516 CB ALA A 103 4.474 4.800 14.319 1.00 23.06 C ATOM 1517 HA ALA A 103 6.605 4.629 14.385 1.00 0.00 H ATOM 1518 HB1 ALA A 103 4.455 5.593 15.067 1.00 0.00 H ATOM 1519 HB2 ALA A 103 3.697 4.981 13.576 1.00 0.00 H ATOM 1520 HB3 ALA A 103 4.300 3.839 14.803 1.00 0.00 H ATOM 1521 H ALA A 103 5.295 6.764 12.968 1.00 0.00 H ATOM 1522 N TYR A 104 5.378 3.842 11.415 1.00 23.55 N ATOM 1523 CA TYR A 104 5.396 2.868 10.323 1.00 23.56 C ATOM 1524 C TYR A 104 6.836 2.580 9.874 1.00 28.28 C ATOM 1525 O TYR A 104 7.228 1.413 9.796 1.00 27.58 O ATOM 1526 CB TYR A 104 4.542 3.360 9.134 1.00 24.56 C ATOM 1527 CG TYR A 104 4.824 2.622 7.843 1.00 26.35 C ATOM 1528 CD1 TYR A 104 4.312 1.347 7.619 1.00 28.30 C ATOM 1529 CD2 TYR A 104 5.628 3.186 6.855 1.00 27.16 C ATOM 1530 CE1 TYR A 104 4.600 0.648 6.449 1.00 29.10 C ATOM 1531 CE2 TYR A 104 5.922 2.495 5.681 1.00 28.02 C ATOM 1532 CZ TYR A 104 5.402 1.228 5.481 1.00 35.56 C ATOM 1533 OH TYR A 104 5.685 0.541 4.330 1.00 37.53 O ATOM 1534 HA TYR A 104 4.962 1.939 10.692 1.00 0.00 H ATOM 1535 HB3 TYR A 104 4.745 4.419 8.978 1.00 0.00 H ATOM 1536 HB2 TYR A 104 3.490 3.226 9.386 1.00 0.00 H ATOM 1537 HD2 TYR A 104 6.035 4.186 7.003 1.00 0.00 H ATOM 1538 HE2 TYR A 104 6.559 2.951 4.923 1.00 0.00 H ATOM 1539 HE1 TYR A 104 4.195 -0.352 6.296 1.00 0.00 H ATOM 1540 HD1 TYR A 104 3.674 0.887 8.373 1.00 0.00 H ATOM 1541 HH TYR A 104 5.235 -0.340 4.354 1.00 0.00 H ATOM 1542 H TYR A 104 4.930 4.763 11.235 1.00 0.00 H ATOM 1543 N GLU A 105 7.602 3.648 9.561 1.00 25.79 N ATOM 1544 CA GLU A 105 8.989 3.568 9.095 1.00 26.11 C ATOM 1545 C GLU A 105 9.929 2.961 10.142 1.00 30.71 C ATOM 1546 O GLU A 105 10.875 2.273 9.763 1.00 30.33 O ATOM 1547 CB GLU A 105 9.510 4.943 8.632 1.00 27.60 C ATOM 1548 CG GLU A 105 8.775 5.568 7.451 1.00 39.94 C ATOM 1549 CD GLU A 105 8.892 4.897 6.094 1.00 65.34 C ATOM 1550 OE1 GLU A 105 9.913 4.220 5.837 1.00 61.06 O ATOM 1551 OE2 GLU A 105 7.969 5.085 5.269 1.00 63.03 O ATOM 1552 HA GLU A 105 8.983 2.895 8.238 1.00 0.00 H ATOM 1553 HB2 GLU A 105 9.435 5.630 9.475 1.00 0.00 H ATOM 1554 HB3 GLU A 105 10.557 4.827 8.351 1.00 0.00 H ATOM 1555 HG2 GLU A 105 7.716 5.596 7.708 1.00 0.00 H ATOM 1556 HG3 GLU A 105 9.148 6.586 7.341 1.00 0.00 H ATOM 1557 H GLU A 105 7.178 4.593 9.658 1.00 0.00 H ATOM 1558 N THR A 106 9.665 3.207 11.448 1.00 28.02 N ATOM 1559 CA THR A 106 10.466 2.673 12.560 1.00 28.13 C ATOM 1560 C THR A 106 10.286 1.153 12.680 1.00 33.48 C ATOM 1561 O THR A 106 11.276 0.438 12.841 1.00 33.17 O ATOM 1562 CB THR A 106 10.170 3.413 13.878 1.00 33.79 C ATOM 1563 OG1 THR A 106 10.176 4.824 13.648 1.00 31.78 O ATOM 1564 CG2 THR A 106 11.181 3.088 14.971 1.00 32.39 C ATOM 1565 HA THR A 106 11.518 2.854 12.341 1.00 0.00 H ATOM 1566 HB THR A 106 9.190 3.079 14.219 1.00 0.00 H ATOM 1567 HG1 THR A 106 9.482 5.051 12.980 1.00 0.00 H ATOM 1568 HG23 THR A 106 11.184 2.013 15.154 1.00 0.00 H ATOM 1569 HG21 THR A 106 12.174 3.406 14.652 1.00 0.00 H ATOM 1570 HG22 THR A 106 10.906 3.613 15.886 1.00 0.00 H ATOM 1571 H THR A 106 8.848 3.809 11.678 1.00 0.00 H ATOM 1572 N VAL A 107 9.030 0.668 12.590 1.00 31.03 N ATOM 1573 CA VAL A 107 8.682 -0.758 12.659 1.00 31.27 C ATOM 1574 C VAL A 107 9.206 -1.492 11.422 1.00 36.10 C ATOM 1575 O VAL A 107 9.677 -2.625 11.532 1.00 35.63 O ATOM 1576 CB VAL A 107 7.166 -0.958 12.936 1.00 35.23 C ATOM 1577 CG1 VAL A 107 6.699 -2.378 12.639 1.00 35.01 C ATOM 1578 CG2 VAL A 107 6.849 -0.604 14.375 1.00 35.04 C ATOM 1579 HA VAL A 107 9.182 -1.215 13.513 1.00 0.00 H ATOM 1580 HB VAL A 107 6.628 -0.292 12.262 1.00 0.00 H ATOM 1581 HG11 VAL A 107 6.881 -2.607 11.589 1.00 0.00 H ATOM 1582 HG12 VAL A 107 7.250 -3.079 13.266 1.00 0.00 H ATOM 1583 HG13 VAL A 107 5.633 -2.460 12.850 1.00 0.00 H ATOM 1584 HG21 VAL A 107 7.423 -1.248 15.041 1.00 0.00 H ATOM 1585 HG22 VAL A 107 7.113 0.438 14.558 1.00 0.00 H ATOM 1586 HG23 VAL A 107 5.784 -0.748 14.557 1.00 0.00 H ATOM 1587 H VAL A 107 8.255 1.350 12.463 1.00 0.00 H ATOM 1588 N LYS A 108 9.189 -0.809 10.264 1.00 33.63 N ATOM 1589 CA LYS A 108 9.718 -1.316 8.999 1.00 33.91 C ATOM 1590 C LYS A 108 11.218 -1.578 9.161 1.00 38.51 C ATOM 1591 O LYS A 108 11.720 -2.607 8.701 1.00 37.96 O ATOM 1592 CB LYS A 108 9.467 -0.296 7.888 1.00 36.62 C ATOM 1593 CG LYS A 108 9.203 -0.923 6.541 1.00 52.57 C ATOM 1594 CD LYS A 108 9.845 -0.069 5.493 1.00 63.53 C ATOM 1595 CE LYS A 108 10.101 -0.757 4.192 1.00 75.64 C ATOM 1596 NZ LYS A 108 10.798 0.167 3.268 1.00 85.47 N ATOM 1597 HA LYS A 108 9.218 -2.246 8.729 1.00 0.00 H ATOM 1598 HB2 LYS A 108 8.602 0.308 8.163 1.00 0.00 H ATOM 1599 HB3 LYS A 108 10.344 0.345 7.804 1.00 0.00 H ATOM 1600 HG2 LYS A 108 9.628 -1.926 6.511 1.00 0.00 H ATOM 1601 HG3 LYS A 108 8.129 -0.979 6.364 1.00 0.00 H ATOM 1602 HD2 LYS A 108 9.192 0.783 5.303 1.00 0.00 H ATOM 1603 HD3 LYS A 108 10.799 0.286 5.882 1.00 0.00 H ATOM 1604 HE2 LYS A 108 9.153 -1.064 3.751 1.00 0.00 H ATOM 1605 HE3 LYS A 108 10.722 -1.636 4.363 1.00 0.00 H ATOM 1606 HZ1 LYS A 108 10.204 1.005 3.105 1.00 0.00 H ATOM 1607 HZ2 LYS A 108 11.703 0.459 3.689 1.00 0.00 H ATOM 1608 HZ3 LYS A 108 10.974 -0.316 2.364 1.00 0.00 H ATOM 1609 H LYS A 108 8.772 0.144 10.269 1.00 0.00 H ATOM 1610 N CYS A 109 11.909 -0.666 9.871 1.00 35.82 N ATOM 1611 CA CYS A 109 13.326 -0.769 10.194 1.00 36.07 C ATOM 1612 C CYS A 109 13.544 -1.891 11.217 1.00 40.03 C ATOM 1613 O CYS A 109 14.527 -2.618 11.088 1.00 39.65 O ATOM 1614 CB CYS A 109 13.866 0.568 10.693 1.00 36.56 C ATOM 1615 SG CYS A 109 15.634 0.565 11.074 1.00 40.40 S ATOM 1616 HA CYS A 109 13.883 -1.021 9.291 1.00 0.00 H ATOM 1617 HB2 CYS A 109 13.322 0.839 11.598 1.00 0.00 H ATOM 1618 HB3 CYS A 109 13.684 1.318 9.923 1.00 0.00 H ATOM 1619 H CYS A 109 11.395 0.171 10.213 1.00 0.00 H ATOM 1620 N TYR A 110 12.631 -2.039 12.217 1.00 36.64 N ATOM 1621 CA TYR A 110 12.695 -3.086 13.253 1.00 36.62 C ATOM 1622 C TYR A 110 12.631 -4.473 12.614 1.00 41.43 C ATOM 1623 O TYR A 110 13.420 -5.351 12.970 1.00 40.88 O ATOM 1624 CB TYR A 110 11.531 -2.961 14.266 1.00 37.51 C ATOM 1625 CG TYR A 110 11.583 -1.804 15.243 1.00 38.85 C ATOM 1626 CD1 TYR A 110 10.475 -1.473 16.018 1.00 40.65 C ATOM 1627 CD2 TYR A 110 12.749 -1.063 15.423 1.00 39.47 C ATOM 1628 CE1 TYR A 110 10.517 -0.418 16.928 1.00 41.18 C ATOM 1629 CE2 TYR A 110 12.800 -0.003 16.324 1.00 40.31 C ATOM 1630 CZ TYR A 110 11.684 0.308 17.082 1.00 47.08 C ATOM 1631 OH TYR A 110 11.728 1.351 17.969 1.00 47.81 O ATOM 1632 HA TYR A 110 13.640 -2.954 13.780 1.00 0.00 H ATOM 1633 HB3 TYR A 110 11.503 -3.882 14.849 1.00 0.00 H ATOM 1634 HB2 TYR A 110 10.608 -2.866 13.695 1.00 0.00 H ATOM 1635 HD2 TYR A 110 13.639 -1.318 14.847 1.00 0.00 H ATOM 1636 HE2 TYR A 110 13.715 0.580 16.432 1.00 0.00 H ATOM 1637 HE1 TYR A 110 9.634 -0.166 17.516 1.00 0.00 H ATOM 1638 HD1 TYR A 110 9.557 -2.050 15.911 1.00 0.00 H ATOM 1639 HH TYR A 110 11.928 2.189 17.481 1.00 0.00 H ATOM 1640 H TYR A 110 11.836 -1.369 12.252 1.00 0.00 H ATOM 1641 N PHE A 111 11.680 -4.654 11.677 1.00 38.99 N ATOM 1642 CA PHE A 111 11.433 -5.887 10.932 1.00 39.37 C ATOM 1643 C PHE A 111 12.612 -6.279 10.072 1.00 44.07 C ATOM 1644 O PHE A 111 12.865 -7.459 9.899 1.00 43.60 O ATOM 1645 CB PHE A 111 10.174 -5.747 10.069 1.00 41.31 C ATOM 1646 CG PHE A 111 8.888 -6.109 10.779 1.00 43.11 C ATOM 1647 CD1 PHE A 111 8.560 -5.533 12.002 1.00 46.33 C ATOM 1648 CD2 PHE A 111 7.989 -7.003 10.212 1.00 45.51 C ATOM 1649 CE1 PHE A 111 7.374 -5.869 12.658 1.00 47.35 C ATOM 1650 CE2 PHE A 111 6.793 -7.329 10.866 1.00 48.40 C ATOM 1651 CZ PHE A 111 6.492 -6.755 12.082 1.00 46.49 C ATOM 1652 HA PHE A 111 11.283 -6.681 11.664 1.00 0.00 H ATOM 1653 HB2 PHE A 111 10.101 -4.711 9.737 1.00 0.00 H ATOM 1654 HB3 PHE A 111 10.280 -6.399 9.202 1.00 0.00 H ATOM 1655 HD2 PHE A 111 8.216 -7.456 9.247 1.00 0.00 H ATOM 1656 HE2 PHE A 111 6.100 -8.037 10.412 1.00 0.00 H ATOM 1657 HZ PHE A 111 5.558 -7.002 12.586 1.00 0.00 H ATOM 1658 HE1 PHE A 111 7.146 -5.429 13.629 1.00 0.00 H ATOM 1659 HD1 PHE A 111 9.238 -4.809 12.454 1.00 0.00 H ATOM 1660 H PHE A 111 11.066 -3.842 11.464 1.00 0.00 H ATOM 1661 N ASN A 112 13.331 -5.306 9.518 1.00 41.44 N ATOM 1662 CA ASN A 112 14.484 -5.644 8.704 1.00 41.50 C ATOM 1663 C ASN A 112 15.713 -5.901 9.566 1.00 45.61 C ATOM 1664 O ASN A 112 16.477 -6.826 9.289 1.00 45.13 O ATOM 1665 CB ASN A 112 14.770 -4.562 7.680 1.00 42.99 C ATOM 1666 CG ASN A 112 15.753 -5.018 6.638 1.00 68.26 C ATOM 1667 OD1 ASN A 112 15.416 -5.765 5.710 1.00 63.41 O ATOM 1668 ND2 ASN A 112 16.999 -4.595 6.782 1.00 60.36 N ATOM 1669 HA ASN A 112 14.246 -6.564 8.169 1.00 0.00 H ATOM 1670 HB2 ASN A 112 13.837 -4.288 7.188 1.00 0.00 H ATOM 1671 HB3 ASN A 112 15.179 -3.691 8.193 1.00 0.00 H ATOM 1672 HD22 ASN A 112 17.247 -3.968 7.574 1.00 0.00 H ATOM 1673 HD21 ASN A 112 17.730 -4.890 6.103 1.00 0.00 H ATOM 1674 H ASN A 112 13.069 -4.311 9.667 1.00 0.00 H ATOM 1675 N ALA A 113 15.898 -5.079 10.619 1.00 42.57 N ATOM 1676 CA ALA A 113 17.046 -5.141 11.527 1.00 42.68 C ATOM 1677 C ALA A 113 17.259 -6.452 12.273 1.00 47.58 C ATOM 1678 O ALA A 113 18.162 -7.213 11.919 1.00 47.17 O ATOM 1679 CB ALA A 113 17.015 -3.989 12.514 1.00 43.40 C ATOM 1680 HA ALA A 113 17.902 -5.065 10.856 1.00 0.00 H ATOM 1681 HB1 ALA A 113 17.047 -3.045 11.970 1.00 0.00 H ATOM 1682 HB2 ALA A 113 16.098 -4.040 13.102 1.00 0.00 H ATOM 1683 HB3 ALA A 113 17.877 -4.057 13.177 1.00 0.00 H ATOM 1684 H ALA A 113 15.177 -4.352 10.799 1.00 0.00 H ATOM 1685 N HIS A 114 16.499 -6.674 13.349 1.00 44.86 N ATOM 1686 CA HIS A 114 16.656 -7.786 14.271 1.00 44.75 C ATOM 1687 C HIS A 114 15.269 -8.375 14.519 1.00 49.51 C ATOM 1688 O HIS A 114 14.673 -8.198 15.587 1.00 49.01 O ATOM 1689 CB HIS A 114 17.288 -7.188 15.535 1.00 45.38 C ATOM 1690 CG HIS A 114 17.586 -8.121 16.660 1.00 48.80 C ATOM 1691 ND1 HIS A 114 18.888 -8.477 16.976 1.00 50.66 N ATOM 1692 CD2 HIS A 114 16.752 -8.661 17.577 1.00 50.66 C ATOM 1693 CE1 HIS A 114 18.791 -9.256 18.038 1.00 50.17 C ATOM 1694 NE2 HIS A 114 17.530 -9.402 18.429 1.00 50.51 N ATOM 1695 HA HIS A 114 17.290 -8.593 13.902 1.00 0.00 H ATOM 1696 HB2 HIS A 114 18.227 -6.719 15.241 1.00 0.00 H ATOM 1697 HB3 HIS A 114 16.606 -6.427 15.913 1.00 0.00 H ATOM 1698 HD2 HIS A 114 15.671 -8.532 17.629 1.00 0.00 H ATOM 1699 HE1 HIS A 114 19.642 -9.723 18.534 1.00 0.00 H ATOM 1700 H HIS A 114 15.734 -5.997 13.542 1.00 0.00 H ATOM 1701 N ASP A 115 14.734 -9.043 13.493 1.00 47.20 N ATOM 1702 CA ASP A 115 13.396 -9.597 13.516 1.00 47.20 C ATOM 1703 C ASP A 115 13.291 -11.036 13.984 1.00 51.34 C ATOM 1704 O ASP A 115 12.814 -11.892 13.231 1.00 50.55 O ATOM 1705 CB ASP A 115 12.716 -9.420 12.159 1.00 48.97 C ATOM 1706 CG ASP A 115 13.397 -10.146 11.004 1.00 58.80 C ATOM 1707 OD1 ASP A 115 14.527 -10.664 11.199 1.00 59.09 O ATOM 1708 OD2 ASP A 115 12.799 -10.207 9.910 1.00 64.26 O ATOM 1709 HA ASP A 115 12.872 -9.021 14.278 1.00 0.00 H ATOM 1710 HB2 ASP A 115 11.695 -9.793 12.240 1.00 0.00 H ATOM 1711 HB3 ASP A 115 12.695 -8.355 11.926 1.00 0.00 H ATOM 1712 H ASP A 115 15.307 -9.172 12.635 1.00 0.00 H ATOM 1713 N GLU A 116 13.643 -11.305 15.248 1.00 48.43 N ATOM 1714 CA GLU A 116 13.435 -12.644 15.764 1.00 48.41 C ATOM 1715 C GLU A 116 11.959 -13.093 15.538 1.00 52.52 C ATOM 1716 O GLU A 116 11.816 -14.214 15.049 1.00 52.28 O ATOM 1717 CB GLU A 116 13.889 -12.821 17.219 1.00 49.83 C ATOM 1718 CG GLU A 116 13.999 -14.278 17.654 1.00 60.72 C ATOM 1719 CD GLU A 116 15.251 -14.686 18.404 1.00 82.21 C ATOM 1720 OE1 GLU A 116 15.431 -15.903 18.631 1.00 77.05 O ATOM 1721 OE2 GLU A 116 16.055 -13.799 18.766 1.00 77.24 O ATOM 1722 HA GLU A 116 14.083 -13.308 15.192 1.00 0.00 H ATOM 1723 HB2 GLU A 116 14.866 -12.352 17.334 1.00 0.00 H ATOM 1724 HB3 GLU A 116 13.169 -12.321 17.868 1.00 0.00 H ATOM 1725 HG2 GLU A 116 13.146 -14.493 18.298 1.00 0.00 H ATOM 1726 HG3 GLU A 116 13.939 -14.894 16.756 1.00 0.00 H ATOM 1727 H GLU A 116 14.059 -10.565 15.850 1.00 0.00 H ATOM 1728 N VAL A 117 10.894 -12.223 15.591 1.00 48.97 N ATOM 1729 CA VAL A 117 10.463 -10.898 16.152 1.00 48.66 C ATOM 1730 C VAL A 117 9.319 -10.217 15.345 1.00 52.36 C ATOM 1731 O VAL A 117 8.839 -9.132 15.665 1.00 52.00 O ATOM 1732 CB VAL A 117 11.451 -9.967 16.925 1.00 52.60 C ATOM 1733 CG1 VAL A 117 11.232 -8.477 16.678 1.00 52.34 C ATOM 1734 CG2 VAL A 117 11.367 -10.281 18.419 1.00 52.44 C ATOM 1735 HA VAL A 117 10.029 -11.254 17.086 1.00 0.00 H ATOM 1736 HB VAL A 117 12.449 -10.177 16.540 1.00 0.00 H ATOM 1737 HG11 VAL A 117 11.356 -8.264 15.616 1.00 0.00 H ATOM 1738 HG12 VAL A 117 10.224 -8.203 16.989 1.00 0.00 H ATOM 1739 HG13 VAL A 117 11.960 -7.904 17.252 1.00 0.00 H ATOM 1740 HG21 VAL A 117 10.349 -10.108 18.769 1.00 0.00 H ATOM 1741 HG22 VAL A 117 11.638 -11.324 18.586 1.00 0.00 H ATOM 1742 HG23 VAL A 117 12.055 -9.634 18.964 1.00 0.00 H ATOM 1743 H VAL A 117 10.105 -12.628 15.048 1.00 0.00 H ATOM 1744 N ILE A 118 8.720 -11.018 14.428 1.00 48.59 N ATOM 1745 CA ILE A 118 7.455 -10.683 13.798 1.00 48.25 C ATOM 1746 C ILE A 118 6.494 -11.296 14.847 1.00 51.51 C ATOM 1747 O ILE A 118 5.279 -11.223 14.724 1.00 51.17 O ATOM 1748 CB ILE A 118 7.274 -11.301 12.377 1.00 51.45 C ATOM 1749 CG1 ILE A 118 7.129 -12.849 12.421 1.00 51.91 C ATOM 1750 CG2 ILE A 118 8.375 -10.828 11.422 1.00 52.29 C ATOM 1751 CD1 ILE A 118 6.596 -13.506 11.150 1.00 59.43 C ATOM 1752 HA ILE A 118 7.315 -9.622 13.590 1.00 0.00 H ATOM 1753 HB ILE A 118 6.331 -10.931 11.975 1.00 0.00 H ATOM 1754 HG12 ILE A 118 8.112 -13.271 12.628 1.00 0.00 H ATOM 1755 HG13 ILE A 118 6.449 -13.098 13.236 1.00 0.00 H ATOM 1756 HD11 ILE A 118 5.603 -13.114 10.929 1.00 0.00 H ATOM 1757 HD12 ILE A 118 7.268 -13.287 10.320 1.00 0.00 H ATOM 1758 HD13 ILE A 118 6.538 -14.584 11.297 1.00 0.00 H ATOM 1759 HG21 ILE A 118 8.338 -9.742 11.337 1.00 0.00 H ATOM 1760 HG22 ILE A 118 9.347 -11.130 11.812 1.00 0.00 H ATOM 1761 HG23 ILE A 118 8.220 -11.276 10.441 1.00 0.00 H ATOM 1762 H ILE A 118 9.187 -11.910 14.165 1.00 0.00 H ATOM 1763 N LYS A 119 7.093 -11.912 15.892 1.00 47.58 N ATOM 1764 CA LYS A 119 6.470 -12.551 17.047 1.00 47.21 C ATOM 1765 C LYS A 119 5.570 -11.603 17.830 1.00 50.30 C ATOM 1766 O LYS A 119 4.709 -12.061 18.583 1.00 49.76 O ATOM 1767 CB LYS A 119 7.550 -13.160 17.935 1.00 49.87 C ATOM 1768 CG LYS A 119 7.752 -14.613 17.611 1.00 66.21 C ATOM 1769 CD LYS A 119 9.195 -15.002 17.588 1.00 77.86 C ATOM 1770 CE LYS A 119 9.436 -16.366 18.166 1.00 90.97 C ATOM 1771 NZ LYS A 119 8.279 -17.304 18.089 1.00100.84 N ATOM 1772 HA LYS A 119 5.817 -13.343 16.681 1.00 0.00 H ATOM 1773 HB2 LYS A 119 8.486 -12.625 17.777 1.00 0.00 H ATOM 1774 HB3 LYS A 119 7.250 -13.065 18.979 1.00 0.00 H ATOM 1775 HG2 LYS A 119 7.240 -15.213 18.363 1.00 0.00 H ATOM 1776 HG3 LYS A 119 7.320 -14.816 16.631 1.00 0.00 H ATOM 1777 HD2 LYS A 119 9.542 -14.994 16.555 1.00 0.00 H ATOM 1778 HD3 LYS A 119 9.762 -14.273 18.166 1.00 0.00 H ATOM 1779 HE2 LYS A 119 9.703 -16.245 19.216 1.00 0.00 H ATOM 1780 HE3 LYS A 119 10.271 -16.816 17.630 1.00 0.00 H ATOM 1781 HZ1 LYS A 119 7.473 -16.901 18.608 1.00 0.00 H ATOM 1782 HZ2 LYS A 119 8.016 -17.447 17.093 1.00 0.00 H ATOM 1783 HZ3 LYS A 119 8.545 -18.216 18.513 1.00 0.00 H ATOM 1784 H LYS A 119 8.133 -11.933 15.869 1.00 0.00 H ATOM 1785 N PHE A 120 5.742 -10.288 17.614 1.00 46.33 N ATOM 1786 CA PHE A 120 4.916 -9.240 18.196 1.00 45.88 C ATOM 1787 C PHE A 120 3.655 -9.081 17.370 1.00 49.07 C ATOM 1788 O PHE A 120 2.599 -8.788 17.928 1.00 48.61 O ATOM 1789 CB PHE A 120 5.696 -7.936 18.313 1.00 47.69 C ATOM 1790 CG PHE A 120 6.626 -7.961 19.499 1.00 49.27 C ATOM 1791 CD1 PHE A 120 6.200 -7.515 20.744 1.00 52.38 C ATOM 1792 CD2 PHE A 120 7.907 -8.491 19.389 1.00 51.45 C ATOM 1793 CE1 PHE A 120 7.052 -7.565 21.851 1.00 53.29 C ATOM 1794 CE2 PHE A 120 8.761 -8.533 20.495 1.00 54.29 C ATOM 1795 CZ PHE A 120 8.327 -8.070 21.719 1.00 52.37 C ATOM 1796 HA PHE A 120 4.627 -9.521 19.209 1.00 0.00 H ATOM 1797 HB2 PHE A 120 6.281 -7.789 17.405 1.00 0.00 H ATOM 1798 HB3 PHE A 120 4.994 -7.111 18.429 1.00 0.00 H ATOM 1799 HD2 PHE A 120 8.249 -8.878 18.429 1.00 0.00 H ATOM 1800 HE2 PHE A 120 9.770 -8.932 20.390 1.00 0.00 H ATOM 1801 HZ PHE A 120 8.992 -8.103 22.582 1.00 0.00 H ATOM 1802 HE1 PHE A 120 6.707 -7.204 22.820 1.00 0.00 H ATOM 1803 HD1 PHE A 120 5.190 -7.122 20.859 1.00 0.00 H ATOM 1804 H PHE A 120 6.520 -9.999 16.987 1.00 0.00 H ATOM 1805 N CYS A 121 3.755 -9.333 16.044 1.00 45.22 N ATOM 1806 CA CYS A 121 2.615 -9.343 15.130 1.00 44.86 C ATOM 1807 C CYS A 121 1.743 -10.535 15.538 1.00 49.41 C ATOM 1808 O CYS A 121 0.528 -10.425 15.519 1.00 48.71 O ATOM 1809 CB CYS A 121 3.079 -9.452 13.679 1.00 44.78 C ATOM 1810 SG CYS A 121 1.787 -9.960 12.518 1.00 48.41 S ATOM 1811 HA CYS A 121 2.048 -8.415 15.194 1.00 0.00 H ATOM 1812 HB2 CYS A 121 3.886 -10.183 13.633 1.00 0.00 H ATOM 1813 HB3 CYS A 121 3.455 -8.478 13.367 1.00 0.00 H ATOM 1814 H CYS A 121 4.698 -9.531 15.653 1.00 0.00 H ATOM 1815 N HIS A 122 2.371 -11.651 15.959 1.00 46.90 N ATOM 1816 CA HIS A 122 1.673 -12.842 16.447 1.00 47.21 C ATOM 1817 C HIS A 122 1.036 -12.552 17.801 1.00 51.54 C ATOM 1818 O HIS A 122 -0.122 -12.910 18.018 1.00 51.10 O ATOM 1819 CB HIS A 122 2.641 -14.023 16.557 1.00 48.16 C ATOM 1820 CG HIS A 122 3.053 -14.561 15.229 1.00 51.74 C ATOM 1821 ND1 HIS A 122 2.318 -15.542 14.592 1.00 53.59 N ATOM 1822 CD2 HIS A 122 4.094 -14.211 14.440 1.00 53.58 C ATOM 1823 CE1 HIS A 122 2.942 -15.772 13.449 1.00 53.02 C ATOM 1824 NE2 HIS A 122 4.014 -14.992 13.312 1.00 53.36 N ATOM 1825 HA HIS A 122 0.890 -13.105 15.736 1.00 0.00 H ATOM 1826 HB2 HIS A 122 3.532 -13.694 17.091 1.00 0.00 H ATOM 1827 HB3 HIS A 122 2.155 -14.820 17.120 1.00 0.00 H ATOM 1828 HD2 HIS A 122 4.850 -13.456 14.657 1.00 0.00 H ATOM 1829 HE1 HIS A 122 2.620 -16.507 12.711 1.00 0.00 H ATOM 1830 H HIS A 122 3.411 -11.667 15.936 1.00 0.00 H ATOM 1831 N LEU A 123 1.791 -11.870 18.691 1.00 48.54 N ATOM 1832 CA LEU A 123 1.376 -11.481 20.038 1.00 48.60 C ATOM 1833 C LEU A 123 0.139 -10.583 20.011 1.00 53.33 C ATOM 1834 O LEU A 123 -0.800 -10.837 20.755 1.00 52.92 O ATOM 1835 CB LEU A 123 2.544 -10.791 20.781 1.00 48.62 C ATOM 1836 CG LEU A 123 2.282 -10.229 22.191 1.00 53.30 C ATOM 1837 CD1 LEU A 123 2.137 -11.335 23.220 1.00 53.42 C ATOM 1838 CD2 LEU A 123 3.400 -9.316 22.622 1.00 55.62 C ATOM 1839 HA LEU A 123 1.105 -12.387 20.579 1.00 0.00 H ATOM 1840 HB2 LEU A 123 3.348 -11.522 20.869 1.00 0.00 H ATOM 1841 HB3 LEU A 123 2.877 -9.960 20.159 1.00 0.00 H ATOM 1842 HG LEU A 123 1.347 -9.671 22.135 1.00 0.00 H ATOM 1843 HD21 LEU A 123 4.337 -9.872 22.634 1.00 0.00 H ATOM 1844 HD22 LEU A 123 3.479 -8.484 21.922 1.00 0.00 H ATOM 1845 HD23 LEU A 123 3.190 -8.933 23.621 1.00 0.00 H ATOM 1846 HD11 LEU A 123 1.300 -11.977 22.946 1.00 0.00 H ATOM 1847 HD12 LEU A 123 3.054 -11.924 23.250 1.00 0.00 H ATOM 1848 HD13 LEU A 123 1.953 -10.896 24.200 1.00 0.00 H ATOM 1849 H LEU A 123 2.749 -11.599 18.392 1.00 0.00 H ATOM 1850 N LEU A 124 0.144 -9.537 19.171 1.00 50.51 N ATOM 1851 CA LEU A 124 -0.957 -8.579 19.074 1.00 50.64 C ATOM 1852 C LEU A 124 -2.107 -9.055 18.185 1.00 55.54 C ATOM 1853 O LEU A 124 -3.271 -8.876 18.551 1.00 55.06 O ATOM 1854 CB LEU A 124 -0.443 -7.224 18.553 1.00 50.63 C ATOM 1855 CG LEU A 124 0.503 -6.446 19.460 1.00 55.29 C ATOM 1856 CD1 LEU A 124 1.518 -5.679 18.642 1.00 55.49 C ATOM 1857 CD2 LEU A 124 -0.263 -5.508 20.376 1.00 57.59 C ATOM 1858 HA LEU A 124 -1.353 -8.477 20.084 1.00 0.00 H ATOM 1859 HB2 LEU A 124 0.079 -7.409 17.615 1.00 0.00 H ATOM 1860 HB3 LEU A 124 -1.312 -6.593 18.365 1.00 0.00 H ATOM 1861 HG LEU A 124 1.034 -7.165 20.083 1.00 0.00 H ATOM 1862 HD21 LEU A 124 -0.831 -4.799 19.774 1.00 0.00 H ATOM 1863 HD22 LEU A 124 -0.945 -6.087 20.998 1.00 0.00 H ATOM 1864 HD23 LEU A 124 0.440 -4.968 21.010 1.00 0.00 H ATOM 1865 HD11 LEU A 124 2.100 -6.377 18.041 1.00 0.00 H ATOM 1866 HD12 LEU A 124 1.000 -4.978 17.988 1.00 0.00 H ATOM 1867 HD13 LEU A 124 2.182 -5.131 19.310 1.00 0.00 H ATOM 1868 H LEU A 124 0.973 -9.400 18.558 1.00 0.00 H ATOM 1869 N VAL A 125 -1.776 -9.613 17.012 1.00 53.06 N ATOM 1870 CA VAL A 125 -2.732 -10.005 15.973 1.00 53.35 C ATOM 1871 C VAL A 125 -3.526 -11.319 16.147 1.00 58.63 C ATOM 1872 O VAL A 125 -4.728 -11.296 15.854 1.00 58.25 O ATOM 1873 CB VAL A 125 -2.148 -9.771 14.539 1.00 57.16 C ATOM 1874 CG1 VAL A 125 -2.900 -10.524 13.440 1.00 56.98 C ATOM 1875 CG2 VAL A 125 -2.056 -8.279 14.221 1.00 56.93 C ATOM 1876 HA VAL A 125 -3.555 -9.307 16.124 1.00 0.00 H ATOM 1877 HB VAL A 125 -1.142 -10.190 14.552 1.00 0.00 H ATOM 1878 HG11 VAL A 125 -2.855 -11.595 13.639 1.00 0.00 H ATOM 1879 HG12 VAL A 125 -3.940 -10.199 13.425 1.00 0.00 H ATOM 1880 HG13 VAL A 125 -2.438 -10.313 12.475 1.00 0.00 H ATOM 1881 HG21 VAL A 125 -3.051 -7.836 14.270 1.00 0.00 H ATOM 1882 HG22 VAL A 125 -1.405 -7.793 14.948 1.00 0.00 H ATOM 1883 HG23 VAL A 125 -1.647 -8.147 13.219 1.00 0.00 H ATOM 1884 H VAL A 125 -0.767 -9.780 16.826 1.00 0.00 H ATOM 1885 N LEU A 126 -2.914 -12.450 16.600 1.00 56.23 N ATOM 1886 CA LEU A 126 -3.744 -13.670 16.639 1.00 56.58 C ATOM 1887 C LEU A 126 -3.701 -14.707 17.777 1.00 61.54 C ATOM 1888 O LEU A 126 -4.048 -15.863 17.500 1.00 61.25 O ATOM 1889 CB LEU A 126 -3.784 -14.392 15.263 1.00 56.68 C ATOM 1890 CG LEU A 126 -2.483 -14.691 14.494 1.00 61.41 C ATOM 1891 CD1 LEU A 126 -1.480 -15.529 15.315 1.00 61.59 C ATOM 1892 CD2 LEU A 126 -2.800 -15.443 13.223 1.00 63.90 C ATOM 1893 HA LEU A 126 -4.666 -13.162 16.921 1.00 0.00 H ATOM 1894 HB2 LEU A 126 -4.276 -15.351 15.428 1.00 0.00 H ATOM 1895 HB3 LEU A 126 -4.400 -13.778 14.606 1.00 0.00 H ATOM 1896 HG LEU A 126 -2.022 -13.727 14.278 1.00 0.00 H ATOM 1897 HD21 LEU A 126 -3.296 -16.381 13.472 1.00 0.00 H ATOM 1898 HD22 LEU A 126 -3.457 -14.838 12.599 1.00 0.00 H ATOM 1899 HD23 LEU A 126 -1.875 -15.651 12.685 1.00 0.00 H ATOM 1900 HD11 LEU A 126 -1.213 -14.987 16.223 1.00 0.00 H ATOM 1901 HD12 LEU A 126 -1.937 -16.483 15.580 1.00 0.00 H ATOM 1902 HD13 LEU A 126 -0.584 -15.707 14.720 1.00 0.00 H ATOM 1903 H LEU A 126 -1.919 -12.453 16.901 1.00 0.00 H ATOM 1904 N GLU A 127 -3.351 -14.363 19.020 1.00 58.76 N ATOM 1905 CA GLU A 127 -3.390 -15.469 20.005 1.00 62.59 C ATOM 1906 C GLU A 127 -4.198 -15.247 21.303 1.00 77.35 C ATOM 1907 O GLU A 127 -5.141 -14.416 21.276 1.00 79.16 O ATOM 1908 CB GLU A 127 -2.047 -16.195 20.180 1.00 64.04 C ATOM 1909 CG GLU A 127 -0.788 -15.342 20.207 1.00 75.31 C ATOM 1910 CD GLU A 127 0.447 -16.020 20.754 1.00 97.72 C ATOM 1911 OE1 GLU A 127 1.311 -15.313 21.316 1.00 92.27 O ATOM 1912 OE2 GLU A 127 0.564 -17.258 20.617 1.00 93.05 O ATOM 1913 HA GLU A 127 -4.040 -16.189 19.507 1.00 0.00 H ATOM 1914 OXT GLU A 127 -3.908 -15.992 22.293 1.00 99.37 O ATOM 1915 HB2 GLU A 127 -2.091 -16.743 21.121 1.00 0.00 H ATOM 1916 HB3 GLU A 127 -1.947 -16.900 19.355 1.00 0.00 H ATOM 1917 HG2 GLU A 127 -0.574 -15.027 19.186 1.00 0.00 H ATOM 1918 HG3 GLU A 127 -0.990 -14.465 20.822 1.00 0.00 H ATOM 1919 H GLU A 127 -3.073 -13.394 19.276 1.00 0.00 H TER 1920 GLU A 127 HETATM 1921 O HOH 1 20.012 5.715 15.017 1.00 36.16 O HETATM 1922 O HOH 2 9.725 -2.482 1.372 1.00 24.19 O HETATM 1923 O HOH 3 -9.367 4.718 24.077 1.00 50.55 O HETATM 1924 O HOH 4 7.980 -4.369 5.586 1.00 23.04 O HETATM 1925 O HOH 5 5.596 -2.176 4.321 1.00 36.79 O HETATM 1926 O HOH 6 12.966 -8.014 21.639 1.00 57.43 O HETATM 1927 O HOH 7 -1.178 7.085 3.629 1.00 51.00 O HETATM 1928 O HOH 8 -11.822 -0.071 14.235 1.00 52.85 O HETATM 1929 O HOH 9 13.683 3.083 17.728 1.00 43.63 O HETATM 1930 O HOH 10 20.609 -5.531 11.203 1.00 51.97 O HETATM 1931 O HOH 11 8.563 -8.229 26.181 1.00 46.65 O HETATM 1932 O HOH 12 11.845 6.611 15.373 1.00 29.70 O HETATM 1933 O HOH 13 -1.304 -22.679 24.993 1.00 60.77 O HETATM 1934 O HOH 14 15.476 -5.346 31.591 1.00 57.27 O HETATM 1935 O HOH 15 -2.650 -2.847 5.510 1.00 48.55 O HETATM 1936 O HOH 16 -0.560 -3.277 3.753 1.00 47.77 O HETATM 1937 O HOH 17 18.395 -9.050 9.797 1.00 49.38 O HETATM 1938 O HOH 18 7.813 12.234 25.764 1.00 39.32 O HETATM 1939 O HOH 19 9.986 16.316 9.770 1.00 53.66 O HETATM 1940 O HOH 20 18.849 -9.924 12.325 1.00 48.16 O HETATM 1941 O HOH 21 -11.650 -2.669 19.389 1.00 36.82 O HETATM 1942 O HOH 22 -4.507 -10.325 20.592 1.00 55.86 O HETATM 1943 O HOH 23 1.847 9.090 25.226 1.00 48.92 O HETATM 1944 O HOH 24 8.689 16.162 12.397 1.00 47.57 O HETATM 1945 O HOH 25 20.127 -9.069 7.708 1.00 50.18 O HETATM 1946 O HOH 26 5.060 7.845 16.053 1.00 37.05 O HETATM 1947 O HOH 27 -9.639 0.379 8.451 1.00 26.28 O HETATM 1948 O HOH 28 4.310 -16.277 5.195 1.00 50.31 O HETATM 1949 C1 AZB A 29 0.994 -5.408 13.828 1.00 -0.05 C HETATM 1950 C17 AZB A 29 1.940 -4.239 13.860 1.00 -0.01 C HETATM 1951 C3 AZB A 29 2.344 -3.660 12.551 1.00 -0.05 C HETATM 1952 H5 AZB A 29 3.032 -2.818 12.719 1.00 0.03 H HETATM 1953 H6 AZB A 29 1.451 -3.303 12.017 1.00 0.03 H HETATM 1954 H7 AZB A 29 2.848 -4.431 11.949 1.00 0.03 H HETATM 1955 C16 AZB A 29 3.153 -4.453 14.708 1.00 -0.04 C HETATM 1956 C11 AZB A 29 3.238 -3.698 15.913 1.00 -0.05 C HETATM 1957 C12 AZB A 29 4.351 -3.829 16.784 1.00 -0.04 C HETATM 1958 C13 AZB A 29 5.440 -4.752 16.441 1.00 0.07 C HETATM 1959 N1 AZB A 29 6.519 -4.893 17.243 1.00 -0.19 N HETATM 1960 N2 AZB A 29 6.749 -4.283 18.364 1.00 -0.19 N HETATM 1961 C9 AZB A 29 8.043 -4.492 18.939 1.00 0.07 C HETATM 1962 C4 AZB A 29 8.969 -5.498 18.728 1.00 -0.04 C HETATM 1963 C5 AZB A 29 10.254 -5.582 19.407 1.00 -0.03 C HETATM 1964 C6 AZB A 29 10.640 -4.642 20.301 1.00 0.09 C HETATM 1965 O1 AZB A 29 11.814 -4.713 20.910 1.00 -0.33 O HETATM 1966 H4 AZB A 29 11.910 -3.973 21.497 1.00 0.25 H HETATM 1967 C7 AZB A 29 9.750 -3.638 20.527 1.00 -0.03 C HETATM 1968 C8 AZB A 29 8.434 -3.564 19.827 1.00 -0.04 C HETATM 1969 H11 AZB A 29 7.772 -2.733 20.043 1.00 0.06 H HETATM 1970 H10 AZB A 29 10.006 -2.864 21.241 1.00 0.06 H HETATM 1971 H9 AZB A 29 10.915 -6.414 19.192 1.00 0.06 H HETATM 1972 H8 AZB A 29 8.722 -6.273 18.012 1.00 0.06 H HETATM 1973 C14 AZB A 29 5.369 -5.531 15.230 1.00 -0.04 C HETATM 1974 C15 AZB A 29 4.198 -5.376 14.330 1.00 -0.05 C HETATM 1975 H15 AZB A 29 4.129 -5.943 13.409 1.00 0.06 H HETATM 1976 H14 AZB A 29 6.164 -6.224 14.979 1.00 0.07 H HETATM 1977 H13 AZB A 29 4.397 -3.250 17.699 1.00 0.07 H HETATM 1978 H12 AZB A 29 2.439 -3.012 16.169 1.00 0.06 H HETATM 1979 H16 AZB A 29 1.367 -3.444 14.359 1.00 0.05 H HETATM 1980 H1 AZB A 29 0.135 -5.167 13.185 1.00 0.03 H HETATM 1981 H2 AZB A 29 0.640 -5.622 14.848 1.00 0.03 H HETATM 1982 H3 AZB A 29 1.515 -6.290 13.428 1.00 0.03 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 292 291 727 CONECT 489 488 1810 CONECT 661 660 1478 CONECT 727 292 726 CONECT 1344 1343 1615 CONECT 1478 661 1477 CONECT 1615 1344 1614 CONECT 1810 489 1809 CONECT 1949 1950 1980 1981 1982 CONECT 1950 1949 1951 1955 1979 CONECT 1951 1950 1952 1953 1954 CONECT 1952 1951 CONECT 1953 1951 CONECT 1954 1951 CONECT 1955 1950 1956 1974 CONECT 1956 1955 1957 1978 CONECT 1957 1956 1958 1977 CONECT 1958 1957 1959 1973 CONECT 1959 1958 1960 CONECT 1960 1959 1961 CONECT 1961 1960 1962 1968 CONECT 1962 1961 1963 1972 CONECT 1963 1962 1964 1971 CONECT 1964 1963 1965 1967 CONECT 1965 1964 1966 CONECT 1966 1965 CONECT 1967 1964 1968 1970 CONECT 1968 1961 1967 1969 CONECT 1969 1968 CONECT 1970 1967 CONECT 1971 1963 CONECT 1972 1962 CONECT 1973 1958 1974 1976 CONECT 1974 1955 1973 1975 CONECT 1975 1974 CONECT 1976 1973 CONECT 1977 1957 CONECT 1978 1956 CONECT 1979 1950 CONECT 1980 1949 CONECT 1981 1949 CONECT 1982 1949 MASTER 0 0 0 0 0 0 0 0 1981 1 46 10 END
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Related entries of code: 3r1v
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3r1v
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Odorant binding protein, antennal
Ligand Name
AZB
EC.Number
E.C.-.-.-.-
Resolution
2.19(Å)
Affinity (Kd/Ki/IC50)
Kd=0.12uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Mol.Biol. Vol. 414: pp. 401-412
Ligand Properties
Formula
C
1
5
H
1
6
N
2
O
Molecular Weight
240.300
Exact Mass
240.126
No. of atoms
34
No. of bonds
35
Polar Surface Area
44.95
LOGP Value
4.47 (
Computed with XLOGP3
)
4.93 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 2
Canonical SMILES
Oc1ccc(cc1)/N=N/c1ccc(cc1)C(C)C
InChI String
InChI=1S/C15H16N2O/c1-11(2)12-3-5-13(6-4-12)16-17-14-7-9-15(18)10-8-14/h3-11,18H,1-2H3/b17-16+
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):
Q7PXT9
Entrez Gene ID
NCBI Entrez Gene ID:
1281613
ASD
Information of known allosteric effects of PDB entries
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