Browse entries in the PDBbind-CN Database
HEADER 4DIJ_COMPLEX COMPND 4DIJ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 93 GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO SEQRES 2 A 93 LYS PRO GLU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA SEQRES 3 A 93 GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR SEQRES 4 A 93 LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU SEQRES 5 A 93 LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU SEQRES 6 A 93 GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU SEQRES 7 A 93 HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL SEQRES 8 A 93 VAL VAL HET BLF A 196 70 ATOM 1 N GLN A 18 2.423 -1.293 25.449 1.00 20.72 N ATOM 2 CA GLN A 18 2.280 -2.714 25.892 1.00 20.55 C ATOM 3 C GLN A 18 3.187 -3.050 27.080 1.00 20.25 C ATOM 4 O GLN A 18 2.823 -3.863 27.928 1.00 20.70 O ATOM 5 CB GLN A 18 2.553 -3.682 24.731 1.00 20.39 C ATOM 6 CG GLN A 18 1.437 -3.749 23.668 1.00 21.51 C ATOM 7 CD GLN A 18 1.671 -4.827 22.612 1.00 21.88 C ATOM 8 OE1 GLN A 18 1.871 -6.000 22.932 1.00 21.84 O ATOM 9 NE2 GLN A 18 1.623 -4.432 21.345 1.00 23.10 N ATOM 10 HA GLN A 18 1.248 -2.834 26.222 1.00 0.00 H ATOM 11 HB2 GLN A 18 3.473 -3.369 24.238 1.00 0.00 H ATOM 12 HB3 GLN A 18 2.686 -4.681 25.146 1.00 0.00 H ATOM 13 HG2 GLN A 18 0.492 -3.956 24.171 1.00 0.00 H ATOM 14 HG3 GLN A 18 1.377 -2.782 23.168 1.00 0.00 H ATOM 15 HE22 GLN A 18 1.452 -3.432 21.118 1.00 0.00 H ATOM 16 HE21 GLN A 18 1.757 -5.123 20.579 1.00 0.00 H ATOM 17 HN3 GLN A 18 3.407 -1.118 25.162 1.00 0.00 H ATOM 18 HN2 GLN A 18 2.172 -0.659 26.235 1.00 0.00 H ATOM 19 HN1 GLN A 18 1.789 -1.117 24.644 1.00 0.00 H ATOM 20 N ILE A 19 4.372 -2.444 27.125 1.00 19.72 N ATOM 21 CA ILE A 19 5.329 -2.696 28.211 1.00 18.55 C ATOM 22 C ILE A 19 5.453 -1.420 29.057 1.00 18.54 C ATOM 23 O ILE A 19 5.663 -0.333 28.509 1.00 17.86 O ATOM 24 CB ILE A 19 6.732 -3.132 27.672 1.00 18.49 C ATOM 25 CG1 ILE A 19 6.627 -4.334 26.712 1.00 17.32 C ATOM 26 CG2 ILE A 19 7.720 -3.413 28.825 1.00 18.09 C ATOM 27 CD1 ILE A 19 6.160 -5.642 27.342 1.00 15.26 C ATOM 28 HA ILE A 19 4.957 -3.521 28.819 1.00 0.00 H ATOM 29 HB ILE A 19 7.130 -2.295 27.098 1.00 0.00 H ATOM 30 HG12 ILE A 19 5.923 -4.072 25.922 1.00 0.00 H ATOM 31 HG13 ILE A 19 7.612 -4.504 26.278 1.00 0.00 H ATOM 32 HD11 ILE A 19 6.858 -5.935 28.126 1.00 0.00 H ATOM 33 HD12 ILE A 19 5.167 -5.503 27.770 1.00 0.00 H ATOM 34 HD13 ILE A 19 6.122 -6.419 26.578 1.00 0.00 H ATOM 35 HG21 ILE A 19 7.845 -2.510 29.423 1.00 0.00 H ATOM 36 HG22 ILE A 19 7.327 -4.214 29.452 1.00 0.00 H ATOM 37 HG23 ILE A 19 8.683 -3.713 28.412 1.00 0.00 H ATOM 38 H ILE A 19 4.627 -1.774 26.371 1.00 0.00 H ATOM 39 N PRO A 20 5.321 -1.549 30.393 1.00 18.47 N ATOM 40 CA PRO A 20 5.450 -0.397 31.289 1.00 18.48 C ATOM 41 C PRO A 20 6.764 0.351 31.067 1.00 18.54 C ATOM 42 O PRO A 20 7.801 -0.274 30.835 1.00 17.98 O ATOM 43 CB PRO A 20 5.432 -1.035 32.684 1.00 18.62 C ATOM 44 CG PRO A 20 4.666 -2.281 32.512 1.00 18.70 C ATOM 45 CD PRO A 20 5.001 -2.784 31.138 1.00 18.50 C ATOM 46 HA PRO A 20 4.663 0.341 31.131 1.00 0.00 H ATOM 47 HD3 PRO A 20 5.858 -3.457 31.166 1.00 0.00 H ATOM 48 HD2 PRO A 20 4.150 -3.300 30.692 1.00 0.00 H ATOM 49 HG3 PRO A 20 3.597 -2.084 32.594 1.00 0.00 H ATOM 50 HG2 PRO A 20 4.958 -3.013 33.265 1.00 0.00 H ATOM 51 HB2 PRO A 20 6.446 -1.250 33.023 1.00 0.00 H ATOM 52 HB3 PRO A 20 4.942 -0.377 33.402 1.00 0.00 H ATOM 53 N ALA A 21 6.700 1.681 31.115 1.00 18.76 N ATOM 54 CA ALA A 21 7.862 2.535 30.885 1.00 18.83 C ATOM 55 C ALA A 21 9.051 2.206 31.802 1.00 18.90 C ATOM 56 O ALA A 21 10.194 2.181 31.343 1.00 18.79 O ATOM 57 CB ALA A 21 7.467 3.999 31.007 1.00 19.46 C ATOM 58 HA ALA A 21 8.205 2.336 29.870 1.00 0.00 H ATOM 59 HB1 ALA A 21 6.700 4.230 30.267 1.00 0.00 H ATOM 60 HB2 ALA A 21 7.077 4.187 32.007 1.00 0.00 H ATOM 61 HB3 ALA A 21 8.342 4.626 30.833 1.00 0.00 H ATOM 62 H ALA A 21 5.785 2.129 31.325 1.00 0.00 H ATOM 63 N SER A 22 8.778 1.936 33.080 1.00 18.74 N ATOM 64 CA SER A 22 9.834 1.594 34.047 1.00 18.49 C ATOM 65 C SER A 22 10.547 0.283 33.680 1.00 18.09 C ATOM 66 O SER A 22 11.761 0.157 33.862 1.00 18.04 O ATOM 67 CB SER A 22 9.281 1.528 35.475 1.00 18.85 C ATOM 68 OG SER A 22 8.327 0.487 35.603 1.00 19.21 O ATOM 69 HA SER A 22 10.574 2.393 34.004 1.00 0.00 H ATOM 70 HB2 SER A 22 8.806 2.479 35.718 1.00 0.00 H ATOM 71 HB3 SER A 22 10.103 1.346 36.168 1.00 0.00 H ATOM 72 HG SER A 22 7.986 0.466 36.532 1.00 0.00 H ATOM 73 H SER A 22 7.790 1.968 33.402 1.00 0.00 H ATOM 74 N GLU A 23 9.795 -0.670 33.129 1.00 17.54 N ATOM 75 CA GLU A 23 10.368 -1.939 32.684 1.00 17.43 C ATOM 76 C GLU A 23 11.232 -1.755 31.428 1.00 17.50 C ATOM 77 O GLU A 23 12.280 -2.397 31.285 1.00 17.34 O ATOM 78 CB GLU A 23 9.269 -2.974 32.435 1.00 17.44 C ATOM 79 CG GLU A 23 9.799 -4.405 32.301 1.00 17.87 C ATOM 80 CD GLU A 23 8.708 -5.438 32.078 1.00 18.42 C ATOM 81 OE1 GLU A 23 7.511 -5.122 32.297 1.00 16.83 O ATOM 82 OE2 GLU A 23 9.063 -6.578 31.688 1.00 17.85 O ATOM 83 HA GLU A 23 11.014 -2.306 33.482 1.00 0.00 H ATOM 84 HB2 GLU A 23 8.568 -2.942 33.269 1.00 0.00 H ATOM 85 HB3 GLU A 23 8.748 -2.711 31.514 1.00 0.00 H ATOM 86 HG2 GLU A 23 10.486 -4.441 31.456 1.00 0.00 H ATOM 87 HG3 GLU A 23 10.335 -4.661 33.215 1.00 0.00 H ATOM 88 H GLU A 23 8.775 -0.506 33.013 1.00 0.00 H ATOM 89 N GLN A 24 10.791 -0.880 30.526 1.00 17.22 N ATOM 90 CA GLN A 24 11.567 -0.558 29.324 1.00 17.72 C ATOM 91 C GLN A 24 12.918 0.085 29.663 1.00 18.16 C ATOM 92 O GLN A 24 13.895 -0.077 28.923 1.00 18.09 O ATOM 93 CB GLN A 24 10.770 0.357 28.386 1.00 17.71 C ATOM 94 CG GLN A 24 9.488 -0.258 27.862 1.00 18.42 C ATOM 95 CD GLN A 24 8.914 0.500 26.681 1.00 21.47 C ATOM 96 OE1 GLN A 24 9.641 0.892 25.763 1.00 22.14 O ATOM 97 NE2 GLN A 24 7.604 0.698 26.689 1.00 21.85 N ATOM 98 HA GLN A 24 11.766 -1.501 28.816 1.00 0.00 H ATOM 99 HB2 GLN A 24 10.516 1.267 28.930 1.00 0.00 H ATOM 100 HB3 GLN A 24 11.402 0.609 27.534 1.00 0.00 H ATOM 101 HG2 GLN A 24 9.694 -1.283 27.552 1.00 0.00 H ATOM 102 HG3 GLN A 24 8.750 -0.264 28.665 1.00 0.00 H ATOM 103 HE22 GLN A 24 7.030 0.350 27.484 1.00 0.00 H ATOM 104 HE21 GLN A 24 7.149 1.201 25.901 1.00 0.00 H ATOM 105 H GLN A 24 9.874 -0.414 30.678 1.00 0.00 H ATOM 106 N GLU A 25 12.979 0.805 30.783 1.00 18.39 N ATOM 107 CA GLU A 25 14.204 1.502 31.173 1.00 19.20 C ATOM 108 C GLU A 25 15.164 0.687 32.054 1.00 18.96 C ATOM 109 O GLU A 25 16.222 1.184 32.422 1.00 19.32 O ATOM 110 CB GLU A 25 13.881 2.855 31.834 1.00 19.83 C ATOM 111 CG GLU A 25 13.095 3.835 30.957 1.00 22.92 C ATOM 112 CD GLU A 25 13.739 4.125 29.598 1.00 27.93 C ATOM 113 OE1 GLU A 25 14.986 4.275 29.516 1.00 30.34 O ATOM 114 OE2 GLU A 25 12.983 4.213 28.602 1.00 29.74 O ATOM 115 HA GLU A 25 14.741 1.665 30.239 1.00 0.00 H ATOM 116 HB2 GLU A 25 13.295 2.661 32.733 1.00 0.00 H ATOM 117 HB3 GLU A 25 14.823 3.329 32.111 1.00 0.00 H ATOM 118 HG2 GLU A 25 12.104 3.417 30.782 1.00 0.00 H ATOM 119 HG3 GLU A 25 13.001 4.777 31.498 1.00 0.00 H ATOM 120 H GLU A 25 12.139 0.872 31.392 1.00 0.00 H ATOM 121 N THR A 26 14.809 -0.559 32.367 1.00 18.70 N ATOM 122 CA THR A 26 15.679 -1.455 33.157 1.00 18.37 C ATOM 123 C THR A 26 17.071 -1.611 32.538 1.00 18.08 C ATOM 124 O THR A 26 17.197 -2.003 31.377 1.00 16.90 O ATOM 125 CB THR A 26 15.074 -2.868 33.288 1.00 18.45 C ATOM 126 OG1 THR A 26 13.719 -2.781 33.739 1.00 19.00 O ATOM 127 CG2 THR A 26 15.879 -3.720 34.273 1.00 19.15 C ATOM 128 HA THR A 26 15.761 -0.983 34.136 1.00 0.00 H ATOM 129 HB THR A 26 15.107 -3.340 32.306 1.00 0.00 H ATOM 130 HG1 THR A 26 13.694 -2.333 34.621 1.00 0.00 H ATOM 131 HG23 THR A 26 16.912 -3.788 33.932 1.00 0.00 H ATOM 132 HG21 THR A 26 15.850 -3.257 35.259 1.00 0.00 H ATOM 133 HG22 THR A 26 15.446 -4.719 34.326 1.00 0.00 H ATOM 134 H THR A 26 13.886 -0.913 32.044 1.00 0.00 H ATOM 135 N LEU A 27 18.107 -1.322 33.325 1.00 18.02 N ATOM 136 CA LEU A 27 19.488 -1.583 32.903 1.00 18.50 C ATOM 137 C LEU A 27 19.779 -3.075 32.972 1.00 18.27 C ATOM 138 O LEU A 27 19.539 -3.727 33.999 1.00 18.52 O ATOM 139 CB LEU A 27 20.499 -0.812 33.762 1.00 18.55 C ATOM 140 CG LEU A 27 20.820 0.639 33.388 1.00 20.94 C ATOM 141 CD1 LEU A 27 21.428 1.389 34.581 1.00 21.24 C ATOM 142 CD2 LEU A 27 21.756 0.713 32.166 1.00 21.33 C ATOM 143 HA LEU A 27 19.593 -1.237 31.875 1.00 0.00 H ATOM 144 HB2 LEU A 27 20.115 -0.804 34.782 1.00 0.00 H ATOM 145 HB3 LEU A 27 21.437 -1.367 33.732 1.00 0.00 H ATOM 146 HG LEU A 27 19.882 1.124 33.118 1.00 0.00 H ATOM 147 HD21 LEU A 27 22.690 0.200 32.394 1.00 0.00 H ATOM 148 HD22 LEU A 27 21.276 0.234 31.313 1.00 0.00 H ATOM 149 HD23 LEU A 27 21.962 1.757 31.930 1.00 0.00 H ATOM 150 HD11 LEU A 27 20.719 1.388 35.409 1.00 0.00 H ATOM 151 HD12 LEU A 27 22.349 0.894 34.889 1.00 0.00 H ATOM 152 HD13 LEU A 27 21.647 2.416 34.289 1.00 0.00 H ATOM 153 H LEU A 27 17.933 -0.902 34.260 1.00 0.00 H ATOM 154 N VAL A 28 20.294 -3.611 31.872 1.00 17.96 N ATOM 155 CA VAL A 28 20.546 -5.042 31.761 1.00 17.73 C ATOM 156 C VAL A 28 21.931 -5.319 31.185 1.00 18.10 C ATOM 157 O VAL A 28 22.509 -4.481 30.492 1.00 17.97 O ATOM 158 CB VAL A 28 19.451 -5.761 30.918 1.00 17.60 C ATOM 159 CG1 VAL A 28 18.084 -5.676 31.605 1.00 16.66 C ATOM 160 CG2 VAL A 28 19.369 -5.174 29.507 1.00 17.69 C ATOM 161 HA VAL A 28 20.507 -5.448 32.772 1.00 0.00 H ATOM 162 HB VAL A 28 19.734 -6.811 30.839 1.00 0.00 H ATOM 163 HG11 VAL A 28 18.141 -6.152 32.584 1.00 0.00 H ATOM 164 HG12 VAL A 28 17.803 -4.630 31.724 1.00 0.00 H ATOM 165 HG13 VAL A 28 17.339 -6.186 30.994 1.00 0.00 H ATOM 166 HG21 VAL A 28 19.122 -4.114 29.570 1.00 0.00 H ATOM 167 HG22 VAL A 28 20.330 -5.296 29.008 1.00 0.00 H ATOM 168 HG23 VAL A 28 18.596 -5.696 28.942 1.00 0.00 H ATOM 169 H VAL A 28 20.524 -2.993 31.068 1.00 0.00 H ATOM 170 N ARG A 29 22.451 -6.503 31.488 1.00 18.25 N ATOM 171 CA ARG A 29 23.734 -6.952 30.988 1.00 18.80 C ATOM 172 C ARG A 29 23.520 -8.236 30.183 1.00 18.41 C ATOM 173 O ARG A 29 23.344 -9.311 30.768 1.00 18.06 O ATOM 174 CB ARG A 29 24.687 -7.202 32.163 1.00 19.08 C ATOM 175 CG ARG A 29 26.057 -7.762 31.780 1.00 21.71 C ATOM 176 CD ARG A 29 26.946 -7.981 33.019 1.00 25.54 C ATOM 177 NE ARG A 29 26.808 -6.874 33.966 1.00 28.76 N ATOM 178 CZ ARG A 29 27.416 -5.698 33.849 1.00 30.29 C ATOM 179 NH1 ARG A 29 28.233 -5.463 32.825 1.00 31.56 N ATOM 180 NH2 ARG A 29 27.206 -4.756 34.761 1.00 31.64 N ATOM 181 HA ARG A 29 24.178 -6.192 30.345 1.00 0.00 H ATOM 182 HB2 ARG A 29 24.842 -6.255 32.680 1.00 0.00 H ATOM 183 HB3 ARG A 29 24.210 -7.910 32.840 1.00 0.00 H ATOM 184 HG2 ARG A 29 25.920 -8.715 31.270 1.00 0.00 H ATOM 185 HG3 ARG A 29 26.552 -7.060 31.109 1.00 0.00 H ATOM 186 HD2 ARG A 29 27.987 -8.053 32.703 1.00 0.00 H ATOM 187 HD3 ARG A 29 26.652 -8.909 33.510 1.00 0.00 H ATOM 188 HE ARG A 29 26.190 -7.018 34.790 1.00 0.00 H ATOM 189 HH12 ARG A 29 28.706 -4.541 32.738 1.00 0.00 H ATOM 190 HH11 ARG A 29 28.398 -6.201 32.112 1.00 0.00 H ATOM 191 HH22 ARG A 29 27.679 -3.834 34.675 1.00 0.00 H ATOM 192 HH21 ARG A 29 26.568 -4.940 35.562 1.00 0.00 H ATOM 193 H ARG A 29 21.912 -7.136 32.113 1.00 0.00 H ATOM 194 N PRO A 30 23.516 -8.128 28.838 1.00 18.45 N ATOM 195 CA PRO A 30 23.301 -9.298 27.983 1.00 18.42 C ATOM 196 C PRO A 30 24.338 -10.387 28.214 1.00 19.02 C ATOM 197 O PRO A 30 25.517 -10.087 28.422 1.00 19.03 O ATOM 198 CB PRO A 30 23.452 -8.731 26.572 1.00 18.34 C ATOM 199 CG PRO A 30 23.052 -7.308 26.702 1.00 18.42 C ATOM 200 CD PRO A 30 23.547 -6.877 28.052 1.00 18.14 C ATOM 201 HA PRO A 30 22.338 -9.770 28.178 1.00 0.00 H ATOM 202 HD3 PRO A 30 24.560 -6.480 27.989 1.00 0.00 H ATOM 203 HD2 PRO A 30 22.890 -6.125 28.488 1.00 0.00 H ATOM 204 HG3 PRO A 30 21.968 -7.209 26.643 1.00 0.00 H ATOM 205 HG2 PRO A 30 23.513 -6.709 25.917 1.00 0.00 H ATOM 206 HB2 PRO A 30 24.484 -8.812 26.232 1.00 0.00 H ATOM 207 HB3 PRO A 30 22.798 -9.254 25.874 1.00 0.00 H ATOM 208 N LYS A 31 23.892 -11.640 28.181 1.00 19.15 N ATOM 209 CA LYS A 31 24.793 -12.781 28.271 1.00 20.00 C ATOM 210 C LYS A 31 25.625 -12.848 26.982 1.00 20.37 C ATOM 211 O LYS A 31 25.259 -12.200 25.991 1.00 19.50 O ATOM 212 CB LYS A 31 24.008 -14.066 28.540 1.00 19.92 C ATOM 213 CG LYS A 31 23.443 -14.094 29.965 1.00 21.32 C ATOM 214 CD LYS A 31 22.500 -15.251 30.224 1.00 22.76 C ATOM 215 CE LYS A 31 22.074 -15.238 31.685 1.00 24.06 C ATOM 216 NZ LYS A 31 20.960 -16.180 31.992 1.00 24.93 N ATOM 217 HA LYS A 31 25.477 -12.665 29.112 1.00 0.00 H ATOM 218 HB2 LYS A 31 23.183 -14.132 27.831 1.00 0.00 H ATOM 219 HB3 LYS A 31 24.671 -14.921 28.405 1.00 0.00 H ATOM 220 HG2 LYS A 31 24.276 -14.166 30.664 1.00 0.00 H ATOM 221 HG3 LYS A 31 22.903 -13.164 30.140 1.00 0.00 H ATOM 222 HD2 LYS A 31 21.621 -15.153 29.587 1.00 0.00 H ATOM 223 HD3 LYS A 31 23.006 -16.190 30.001 1.00 0.00 H ATOM 224 HE2 LYS A 31 21.752 -14.229 31.941 1.00 0.00 H ATOM 225 HE3 LYS A 31 22.934 -15.510 32.297 1.00 0.00 H ATOM 226 HZ1 LYS A 31 20.127 -15.927 31.423 1.00 0.00 H ATOM 227 HZ2 LYS A 31 21.255 -17.151 31.763 1.00 0.00 H ATOM 228 HZ3 LYS A 31 20.723 -16.117 33.003 1.00 0.00 H ATOM 229 H LYS A 31 22.870 -11.810 28.088 1.00 0.00 H ATOM 230 N PRO A 32 26.756 -13.592 27.004 1.00 20.97 N ATOM 231 CA PRO A 32 27.730 -13.587 25.902 1.00 21.38 C ATOM 232 C PRO A 32 27.150 -13.742 24.491 1.00 21.76 C ATOM 233 O PRO A 32 27.555 -13.011 23.579 1.00 22.16 O ATOM 234 CB PRO A 32 28.652 -14.756 26.265 1.00 21.50 C ATOM 235 CG PRO A 32 28.680 -14.698 27.751 1.00 21.49 C ATOM 236 CD PRO A 32 27.260 -14.387 28.146 1.00 20.99 C ATOM 237 HA PRO A 32 28.221 -12.617 25.828 1.00 0.00 H ATOM 238 HD3 PRO A 32 26.680 -15.301 28.272 1.00 0.00 H ATOM 239 HD2 PRO A 32 27.229 -13.808 29.069 1.00 0.00 H ATOM 240 HG3 PRO A 32 29.355 -13.914 28.093 1.00 0.00 H ATOM 241 HG2 PRO A 32 28.995 -15.655 28.168 1.00 0.00 H ATOM 242 HB2 PRO A 32 28.242 -15.704 25.916 1.00 0.00 H ATOM 243 HB3 PRO A 32 29.649 -14.616 25.847 1.00 0.00 H ATOM 244 N GLU A 33 26.204 -14.662 24.320 1.00 21.84 N ATOM 245 CA GLU A 33 25.613 -14.917 23.006 1.00 22.19 C ATOM 246 C GLU A 33 24.751 -13.764 22.478 1.00 21.53 C ATOM 247 O GLU A 33 24.897 -13.371 21.320 1.00 21.30 O ATOM 248 CB GLU A 33 24.841 -16.233 22.998 1.00 22.57 C ATOM 249 CG GLU A 33 25.738 -17.471 23.062 1.00 25.51 C ATOM 250 CD GLU A 33 26.565 -17.677 21.798 1.00 29.91 C ATOM 251 OE1 GLU A 33 26.002 -18.125 20.773 1.00 31.24 O ATOM 252 OE2 GLU A 33 27.786 -17.398 21.836 1.00 31.95 O ATOM 253 HA GLU A 33 26.451 -14.997 22.314 1.00 0.00 H ATOM 254 HB2 GLU A 33 24.173 -16.246 23.859 1.00 0.00 H ATOM 255 HB3 GLU A 33 24.252 -16.281 22.082 1.00 0.00 H ATOM 256 HG2 GLU A 33 26.417 -17.364 23.908 1.00 0.00 H ATOM 257 HG3 GLU A 33 25.109 -18.348 23.212 1.00 0.00 H ATOM 258 H GLU A 33 25.877 -15.213 25.139 1.00 0.00 H ATOM 259 N LEU A 34 23.861 -13.231 23.314 1.00 20.53 N ATOM 260 CA LEU A 34 23.067 -12.064 22.923 1.00 19.99 C ATOM 261 C LEU A 34 23.958 -10.840 22.705 1.00 19.80 C ATOM 262 O LEU A 34 23.727 -10.070 21.770 1.00 18.91 O ATOM 263 CB LEU A 34 21.954 -11.756 23.942 1.00 19.90 C ATOM 264 CG LEU A 34 21.117 -10.476 23.763 1.00 19.07 C ATOM 265 CD1 LEU A 34 20.344 -10.454 22.440 1.00 17.93 C ATOM 266 CD2 LEU A 34 20.161 -10.307 24.935 1.00 20.01 C ATOM 267 HA LEU A 34 22.583 -12.309 21.977 1.00 0.00 H ATOM 268 HB2 LEU A 34 21.261 -12.597 23.924 1.00 0.00 H ATOM 269 HB3 LEU A 34 22.425 -11.696 24.923 1.00 0.00 H ATOM 270 HG LEU A 34 21.815 -9.639 23.736 1.00 0.00 H ATOM 271 HD21 LEU A 34 19.493 -11.167 24.985 1.00 0.00 H ATOM 272 HD22 LEU A 34 20.732 -10.235 25.861 1.00 0.00 H ATOM 273 HD23 LEU A 34 19.575 -9.398 24.796 1.00 0.00 H ATOM 274 HD11 LEU A 34 21.047 -10.513 21.609 1.00 0.00 H ATOM 275 HD12 LEU A 34 19.664 -11.305 22.404 1.00 0.00 H ATOM 276 HD13 LEU A 34 19.773 -9.528 22.370 1.00 0.00 H ATOM 277 H LEU A 34 23.728 -13.649 24.257 1.00 0.00 H ATOM 278 N LEU A 35 24.974 -10.666 23.554 1.00 19.84 N ATOM 279 CA LEU A 35 25.903 -9.535 23.393 1.00 20.43 C ATOM 280 C LEU A 35 26.620 -9.559 22.037 1.00 20.62 C ATOM 281 O LEU A 35 26.755 -8.520 21.377 1.00 20.57 O ATOM 282 CB LEU A 35 26.913 -9.451 24.556 1.00 20.74 C ATOM 283 CG LEU A 35 27.784 -8.189 24.599 1.00 21.15 C ATOM 284 CD1 LEU A 35 26.957 -6.946 24.930 1.00 22.13 C ATOM 285 CD2 LEU A 35 28.940 -8.351 25.579 1.00 21.51 C ATOM 286 HA LEU A 35 25.294 -8.631 23.419 1.00 0.00 H ATOM 287 HB2 LEU A 35 26.352 -9.502 25.489 1.00 0.00 H ATOM 288 HB3 LEU A 35 27.577 -10.313 24.485 1.00 0.00 H ATOM 289 HG LEU A 35 28.204 -8.050 23.603 1.00 0.00 H ATOM 290 HD21 LEU A 35 28.545 -8.536 26.578 1.00 0.00 H ATOM 291 HD22 LEU A 35 29.561 -9.192 25.271 1.00 0.00 H ATOM 292 HD23 LEU A 35 29.539 -7.440 25.587 1.00 0.00 H ATOM 293 HD11 LEU A 35 26.189 -6.809 24.169 1.00 0.00 H ATOM 294 HD12 LEU A 35 26.486 -7.073 25.905 1.00 0.00 H ATOM 295 HD13 LEU A 35 27.609 -6.073 24.951 1.00 0.00 H ATOM 296 H LEU A 35 25.111 -11.336 24.337 1.00 0.00 H ATOM 297 N LYS A 36 27.052 -10.746 21.618 1.00 20.89 N ATOM 298 CA LYS A 36 27.652 -10.943 20.291 1.00 21.53 C ATOM 299 C LYS A 36 26.690 -10.548 19.158 1.00 20.94 C ATOM 300 O LYS A 36 27.091 -9.902 18.178 1.00 20.31 O ATOM 301 CB LYS A 36 28.096 -12.405 20.135 1.00 22.00 C ATOM 302 CG LYS A 36 29.060 -12.659 18.982 1.00 24.69 C ATOM 303 CD LYS A 36 29.476 -14.129 18.922 1.00 28.79 C ATOM 304 CE LYS A 36 30.370 -14.406 17.713 1.00 30.95 C ATOM 305 NZ LYS A 36 30.692 -15.860 17.554 1.00 32.52 N ATOM 306 HA LYS A 36 28.521 -10.289 20.216 1.00 0.00 H ATOM 307 HB2 LYS A 36 28.584 -12.712 21.060 1.00 0.00 H ATOM 308 HB3 LYS A 36 27.207 -13.015 19.975 1.00 0.00 H ATOM 309 HG2 LYS A 36 28.573 -12.389 18.045 1.00 0.00 H ATOM 310 HG3 LYS A 36 29.949 -12.043 19.119 1.00 0.00 H ATOM 311 HD2 LYS A 36 30.021 -14.381 19.832 1.00 0.00 H ATOM 312 HD3 LYS A 36 28.582 -14.748 18.852 1.00 0.00 H ATOM 313 HE2 LYS A 36 31.302 -13.853 17.834 1.00 0.00 H ATOM 314 HE3 LYS A 36 29.858 -14.061 16.814 1.00 0.00 H ATOM 315 HZ1 LYS A 36 31.189 -16.199 18.403 1.00 0.00 H ATOM 316 HZ2 LYS A 36 29.810 -16.397 17.429 1.00 0.00 H ATOM 317 HZ3 LYS A 36 31.300 -15.990 16.720 1.00 0.00 H ATOM 318 H LYS A 36 26.962 -11.565 22.253 1.00 0.00 H ATOM 319 N LEU A 37 25.422 -10.930 19.300 1.00 20.38 N ATOM 320 CA LEU A 37 24.387 -10.541 18.342 1.00 20.40 C ATOM 321 C LEU A 37 24.222 -9.016 18.253 1.00 20.14 C ATOM 322 O LEU A 37 24.145 -8.456 17.151 1.00 20.03 O ATOM 323 CB LEU A 37 23.047 -11.213 18.687 1.00 20.42 C ATOM 324 CG LEU A 37 21.873 -11.059 17.707 1.00 20.58 C ATOM 325 CD1 LEU A 37 20.904 -12.221 17.849 1.00 20.76 C ATOM 326 CD2 LEU A 37 21.135 -9.729 17.893 1.00 19.58 C ATOM 327 HA LEU A 37 24.711 -10.887 17.361 1.00 0.00 H ATOM 328 HB2 LEU A 37 23.240 -12.281 18.792 1.00 0.00 H ATOM 329 HB3 LEU A 37 22.721 -10.808 19.645 1.00 0.00 H ATOM 330 HG LEU A 37 22.292 -11.063 16.701 1.00 0.00 H ATOM 331 HD21 LEU A 37 20.740 -9.673 18.907 1.00 0.00 H ATOM 332 HD22 LEU A 37 21.828 -8.904 17.725 1.00 0.00 H ATOM 333 HD23 LEU A 37 20.314 -9.667 17.178 1.00 0.00 H ATOM 334 HD11 LEU A 37 21.424 -13.155 17.635 1.00 0.00 H ATOM 335 HD12 LEU A 37 20.515 -12.246 18.867 1.00 0.00 H ATOM 336 HD13 LEU A 37 20.080 -12.093 17.147 1.00 0.00 H ATOM 337 H LEU A 37 25.160 -11.521 20.115 1.00 0.00 H ATOM 338 N LEU A 38 24.147 -8.358 19.407 1.00 20.01 N ATOM 339 CA LEU A 38 24.006 -6.905 19.463 1.00 20.26 C ATOM 340 C LEU A 38 25.215 -6.190 18.856 1.00 20.70 C ATOM 341 O LEU A 38 25.058 -5.256 18.063 1.00 20.42 O ATOM 342 CB LEU A 38 23.764 -6.423 20.897 1.00 20.18 C ATOM 343 CG LEU A 38 22.551 -6.995 21.646 1.00 20.20 C ATOM 344 CD1 LEU A 38 22.588 -6.565 23.103 1.00 20.29 C ATOM 345 CD2 LEU A 38 21.227 -6.601 20.991 1.00 19.02 C ATOM 346 HA LEU A 38 23.133 -6.650 18.863 1.00 0.00 H ATOM 347 HB2 LEU A 38 24.652 -6.670 21.478 1.00 0.00 H ATOM 348 HB3 LEU A 38 23.644 -5.340 20.861 1.00 0.00 H ATOM 349 HG LEU A 38 22.613 -8.082 21.595 1.00 0.00 H ATOM 350 HD21 LEU A 38 21.137 -5.515 20.981 1.00 0.00 H ATOM 351 HD22 LEU A 38 21.202 -6.978 19.969 1.00 0.00 H ATOM 352 HD23 LEU A 38 20.401 -7.030 21.558 1.00 0.00 H ATOM 353 HD11 LEU A 38 23.503 -6.935 23.566 1.00 0.00 H ATOM 354 HD12 LEU A 38 22.564 -5.477 23.160 1.00 0.00 H ATOM 355 HD13 LEU A 38 21.723 -6.976 23.624 1.00 0.00 H ATOM 356 H LEU A 38 24.190 -8.895 20.297 1.00 0.00 H ATOM 357 N LYS A 39 26.413 -6.642 19.217 1.00 21.40 N ATOM 358 CA LYS A 39 27.648 -6.052 18.682 1.00 22.21 C ATOM 359 C LYS A 39 27.803 -6.262 17.171 1.00 22.28 C ATOM 360 O LYS A 39 28.455 -5.459 16.499 1.00 22.54 O ATOM 361 CB LYS A 39 28.875 -6.553 19.446 1.00 22.24 C ATOM 362 CG LYS A 39 29.025 -5.929 20.824 1.00 24.24 C ATOM 363 CD LYS A 39 30.260 -6.463 21.549 1.00 27.10 C ATOM 364 CE LYS A 39 30.471 -5.742 22.870 1.00 29.29 C ATOM 365 NZ LYS A 39 31.737 -6.171 23.549 1.00 31.40 N ATOM 366 HA LYS A 39 27.570 -4.975 18.834 1.00 0.00 H ATOM 367 HB2 LYS A 39 28.792 -7.634 19.563 1.00 0.00 H ATOM 368 HB3 LYS A 39 29.765 -6.319 18.862 1.00 0.00 H ATOM 369 HG2 LYS A 39 29.117 -4.848 20.716 1.00 0.00 H ATOM 370 HG3 LYS A 39 28.139 -6.159 21.416 1.00 0.00 H ATOM 371 HD2 LYS A 39 30.128 -7.528 21.741 1.00 0.00 H ATOM 372 HD3 LYS A 39 31.136 -6.315 20.918 1.00 0.00 H ATOM 373 HE2 LYS A 39 29.629 -5.958 23.527 1.00 0.00 H ATOM 374 HE3 LYS A 39 30.518 -4.669 22.682 1.00 0.00 H ATOM 375 HZ1 LYS A 39 31.698 -7.193 23.739 1.00 0.00 H ATOM 376 HZ2 LYS A 39 32.548 -5.963 22.932 1.00 0.00 H ATOM 377 HZ3 LYS A 39 31.840 -5.654 24.446 1.00 0.00 H ATOM 378 H LYS A 39 26.477 -7.430 19.893 1.00 0.00 H ATOM 379 N SER A 40 27.184 -7.319 16.647 1.00 22.47 N ATOM 380 CA SER A 40 27.166 -7.592 15.200 1.00 22.74 C ATOM 381 C SER A 40 26.357 -6.560 14.402 1.00 22.70 C ATOM 382 O SER A 40 26.553 -6.423 13.191 1.00 22.49 O ATOM 383 CB SER A 40 26.666 -9.014 14.897 1.00 22.78 C ATOM 384 OG SER A 40 25.245 -9.103 14.851 1.00 22.75 O ATOM 385 HA SER A 40 28.202 -7.509 14.872 1.00 0.00 H ATOM 386 HB2 SER A 40 27.032 -9.685 15.674 1.00 0.00 H ATOM 387 HB3 SER A 40 27.066 -9.326 13.932 1.00 0.00 H ATOM 388 HG SER A 40 24.870 -8.831 15.726 1.00 0.00 H ATOM 389 H SER A 40 26.694 -7.978 17.285 1.00 0.00 H ATOM 390 N VAL A 41 25.448 -5.848 15.068 1.00 22.30 N ATOM 391 CA VAL A 41 24.715 -4.755 14.415 1.00 22.44 C ATOM 392 C VAL A 41 25.120 -3.377 14.935 1.00 22.86 C ATOM 393 O VAL A 41 24.348 -2.417 14.849 1.00 23.36 O ATOM 394 CB VAL A 41 23.163 -4.929 14.466 1.00 22.35 C ATOM 395 CG1 VAL A 41 22.710 -6.007 13.495 1.00 22.25 C ATOM 396 CG2 VAL A 41 22.677 -5.213 15.877 1.00 21.53 C ATOM 397 HA VAL A 41 25.009 -4.815 13.367 1.00 0.00 H ATOM 398 HB VAL A 41 22.712 -3.986 14.157 1.00 0.00 H ATOM 399 HG11 VAL A 41 23.000 -5.727 12.482 1.00 0.00 H ATOM 400 HG12 VAL A 41 23.180 -6.954 13.760 1.00 0.00 H ATOM 401 HG13 VAL A 41 21.626 -6.110 13.548 1.00 0.00 H ATOM 402 HG21 VAL A 41 23.138 -6.131 16.241 1.00 0.00 H ATOM 403 HG22 VAL A 41 22.952 -4.384 16.528 1.00 0.00 H ATOM 404 HG23 VAL A 41 21.593 -5.328 15.870 1.00 0.00 H ATOM 405 H VAL A 41 25.255 -6.070 16.066 1.00 0.00 H ATOM 406 N GLY A 42 26.330 -3.286 15.479 1.00 23.30 N ATOM 407 CA GLY A 42 26.935 -1.999 15.807 1.00 23.85 C ATOM 408 C GLY A 42 26.795 -1.501 17.231 1.00 24.28 C ATOM 409 O GLY A 42 27.144 -0.361 17.511 1.00 24.13 O ATOM 410 HA3 GLY A 42 26.485 -1.251 15.154 1.00 0.00 H ATOM 411 HA2 GLY A 42 28.001 -2.075 15.591 1.00 0.00 H ATOM 412 H GLY A 42 26.861 -4.158 15.677 1.00 0.00 H ATOM 413 N ALA A 43 26.282 -2.336 18.136 1.00 24.81 N ATOM 414 CA ALA A 43 26.194 -1.945 19.543 1.00 25.64 C ATOM 415 C ALA A 43 27.599 -1.871 20.147 1.00 26.49 C ATOM 416 O ALA A 43 28.443 -2.723 19.866 1.00 26.47 O ATOM 417 CB ALA A 43 25.313 -2.903 20.322 1.00 25.45 C ATOM 418 HA ALA A 43 25.734 -0.959 19.605 1.00 0.00 H ATOM 419 HB1 ALA A 43 24.310 -2.901 19.895 1.00 0.00 H ATOM 420 HB2 ALA A 43 25.731 -3.908 20.264 1.00 0.00 H ATOM 421 HB3 ALA A 43 25.267 -2.587 21.364 1.00 0.00 H ATOM 422 H ALA A 43 25.942 -3.273 17.839 1.00 0.00 H ATOM 423 N GLN A 44 27.836 -0.850 20.969 1.00 27.65 N ATOM 424 CA GLN A 44 29.191 -0.498 21.419 1.00 28.92 C ATOM 425 C GLN A 44 29.405 -0.618 22.930 1.00 29.14 C ATOM 426 O GLN A 44 30.480 -0.268 23.433 1.00 29.65 O ATOM 427 CB GLN A 44 29.529 0.939 20.986 1.00 29.29 C ATOM 428 CG GLN A 44 29.439 1.213 19.491 1.00 31.41 C ATOM 429 CD GLN A 44 30.655 0.730 18.717 1.00 34.23 C ATOM 430 OE1 GLN A 44 31.797 0.874 19.165 1.00 36.19 O ATOM 431 NE2 GLN A 44 30.415 0.173 17.535 1.00 35.73 N ATOM 432 HA GLN A 44 29.853 -1.224 20.948 1.00 0.00 H ATOM 433 HB2 GLN A 44 28.839 1.614 21.493 1.00 0.00 H ATOM 434 HB3 GLN A 44 30.548 1.155 21.306 1.00 0.00 H ATOM 435 HG2 GLN A 44 28.556 0.708 19.099 1.00 0.00 H ATOM 436 HG3 GLN A 44 29.338 2.288 19.341 1.00 0.00 H ATOM 437 HE22 GLN A 44 29.437 0.072 17.197 1.00 0.00 H ATOM 438 HE21 GLN A 44 31.205 -0.162 16.948 1.00 0.00 H ATOM 439 H GLN A 44 27.033 -0.281 21.305 1.00 0.00 H ATOM 440 N LYS A 45 28.389 -1.098 23.649 1.00 29.15 N ATOM 441 CA LYS A 45 28.414 -1.137 25.113 1.00 29.36 C ATOM 442 C LYS A 45 28.271 -2.563 25.655 1.00 29.14 C ATOM 443 O LYS A 45 28.066 -3.510 24.892 1.00 29.18 O ATOM 444 CB LYS A 45 27.308 -0.244 25.681 1.00 29.39 C ATOM 445 CG LYS A 45 27.406 1.229 25.279 1.00 31.02 C ATOM 446 CD LYS A 45 26.315 2.074 25.932 1.00 32.67 C ATOM 447 CE LYS A 45 24.926 1.722 25.408 1.00 33.25 C ATOM 448 NZ LYS A 45 23.871 2.497 26.128 1.00 34.94 N ATOM 449 HA LYS A 45 29.386 -0.763 25.434 1.00 0.00 H ATOM 450 HB2 LYS A 45 26.349 -0.628 25.333 1.00 0.00 H ATOM 451 HB3 LYS A 45 27.349 -0.303 26.769 1.00 0.00 H ATOM 452 HG2 LYS A 45 28.379 1.613 25.584 1.00 0.00 H ATOM 453 HG3 LYS A 45 27.310 1.306 24.196 1.00 0.00 H ATOM 454 HD2 LYS A 45 26.338 1.907 27.009 1.00 0.00 H ATOM 455 HD3 LYS A 45 26.513 3.126 25.725 1.00 0.00 H ATOM 456 HE2 LYS A 45 24.749 0.657 25.554 1.00 0.00 H ATOM 457 HE3 LYS A 45 24.876 1.954 24.344 1.00 0.00 H ATOM 458 HZ1 LYS A 45 23.912 2.275 27.143 1.00 0.00 H ATOM 459 HZ2 LYS A 45 24.033 3.515 25.988 1.00 0.00 H ATOM 460 HZ3 LYS A 45 22.936 2.239 25.753 1.00 0.00 H ATOM 461 H LYS A 45 27.549 -1.457 23.152 1.00 0.00 H ATOM 462 N ASP A 46 28.394 -2.713 26.973 1.00 28.98 N ATOM 463 CA ASP A 46 28.174 -4.004 27.628 1.00 28.49 C ATOM 464 C ASP A 46 26.895 -3.990 28.471 1.00 27.69 C ATOM 465 O ASP A 46 26.346 -5.045 28.795 1.00 27.40 O ATOM 466 CB ASP A 46 29.396 -4.415 28.472 1.00 29.19 C ATOM 467 CG ASP A 46 30.530 -5.003 27.627 1.00 30.39 C ATOM 468 OD1 ASP A 46 30.631 -4.680 26.424 1.00 31.98 O ATOM 469 OD2 ASP A 46 31.324 -5.801 28.168 1.00 33.02 O ATOM 470 HA ASP A 46 28.044 -4.753 26.847 1.00 0.00 H ATOM 471 HB2 ASP A 46 29.771 -3.535 28.994 1.00 0.00 H ATOM 472 HB3 ASP A 46 29.081 -5.162 29.201 1.00 0.00 H ATOM 473 H ASP A 46 28.654 -1.890 27.553 1.00 0.00 H ATOM 474 N THR A 47 26.431 -2.792 28.821 1.00 26.59 N ATOM 475 CA THR A 47 25.159 -2.631 29.520 1.00 25.92 C ATOM 476 C THR A 47 24.221 -1.687 28.760 1.00 25.07 C ATOM 477 O THR A 47 24.653 -0.669 28.196 1.00 25.01 O ATOM 478 CB THR A 47 25.323 -2.134 30.975 1.00 25.91 C ATOM 479 OG1 THR A 47 25.576 -0.731 30.978 1.00 27.08 O ATOM 480 CG2 THR A 47 26.459 -2.865 31.693 1.00 26.11 C ATOM 481 HA THR A 47 24.719 -3.628 29.560 1.00 0.00 H ATOM 482 HB THR A 47 24.397 -2.344 31.509 1.00 0.00 H ATOM 483 HG1 THR A 47 24.817 -0.259 30.553 1.00 0.00 H ATOM 484 HG23 THR A 47 26.260 -3.937 31.688 1.00 0.00 H ATOM 485 HG21 THR A 47 27.399 -2.666 31.179 1.00 0.00 H ATOM 486 HG22 THR A 47 26.524 -2.511 32.722 1.00 0.00 H ATOM 487 H THR A 47 26.991 -1.946 28.590 1.00 0.00 H ATOM 488 N TYR A 48 22.937 -2.035 28.775 1.00 23.65 N ATOM 489 CA TYR A 48 21.909 -1.363 27.981 1.00 22.45 C ATOM 490 C TYR A 48 20.621 -1.290 28.775 1.00 21.12 C ATOM 491 O TYR A 48 20.422 -2.060 29.706 1.00 21.36 O ATOM 492 CB TYR A 48 21.606 -2.176 26.717 1.00 22.63 C ATOM 493 CG TYR A 48 22.793 -2.460 25.833 1.00 23.96 C ATOM 494 CD1 TYR A 48 23.590 -3.588 26.043 1.00 24.60 C ATOM 495 CD2 TYR A 48 23.119 -1.603 24.782 1.00 25.36 C ATOM 496 CE1 TYR A 48 24.688 -3.853 25.234 1.00 25.75 C ATOM 497 CE2 TYR A 48 24.218 -1.859 23.963 1.00 26.51 C ATOM 498 CZ TYR A 48 24.992 -2.988 24.193 1.00 26.23 C ATOM 499 OH TYR A 48 26.077 -3.248 23.388 1.00 27.38 O ATOM 500 HA TYR A 48 22.273 -0.368 27.725 1.00 0.00 H ATOM 501 HB3 TYR A 48 20.873 -1.624 26.129 1.00 0.00 H ATOM 502 HB2 TYR A 48 21.179 -3.131 27.025 1.00 0.00 H ATOM 503 HD2 TYR A 48 22.506 -0.721 24.598 1.00 0.00 H ATOM 504 HE2 TYR A 48 24.467 -1.178 23.149 1.00 0.00 H ATOM 505 HE1 TYR A 48 25.305 -4.733 25.416 1.00 0.00 H ATOM 506 HD1 TYR A 48 23.346 -4.272 26.856 1.00 0.00 H ATOM 507 HH TYR A 48 26.515 -4.084 23.686 1.00 0.00 H ATOM 508 H TYR A 48 22.649 -2.827 29.384 1.00 0.00 H ATOM 509 N THR A 49 19.734 -0.383 28.387 1.00 19.75 N ATOM 510 CA THR A 49 18.342 -0.455 28.821 1.00 18.51 C ATOM 511 C THR A 49 17.639 -1.501 27.957 1.00 17.69 C ATOM 512 O THR A 49 18.091 -1.788 26.846 1.00 16.38 O ATOM 513 CB THR A 49 17.638 0.890 28.641 1.00 18.56 C ATOM 514 OG1 THR A 49 17.613 1.210 27.247 1.00 17.83 O ATOM 515 CG2 THR A 49 18.384 1.985 29.413 1.00 19.08 C ATOM 516 HA THR A 49 18.306 -0.719 29.878 1.00 0.00 H ATOM 517 HB THR A 49 16.621 0.827 29.028 1.00 0.00 H ATOM 518 HG1 THR A 49 17.159 2.080 27.117 1.00 0.00 H ATOM 519 HG23 THR A 49 18.399 1.734 30.474 1.00 0.00 H ATOM 520 HG21 THR A 49 19.406 2.058 29.041 1.00 0.00 H ATOM 521 HG22 THR A 49 17.876 2.939 29.271 1.00 0.00 H ATOM 522 H THR A 49 20.035 0.393 27.763 1.00 0.00 H ATOM 523 N MET A 50 16.540 -2.065 28.457 1.00 17.09 N ATOM 524 CA MET A 50 15.724 -2.981 27.652 1.00 16.84 C ATOM 525 C MET A 50 15.324 -2.330 26.322 1.00 16.84 C ATOM 526 O MET A 50 15.394 -2.964 25.269 1.00 16.46 O ATOM 527 CB MET A 50 14.486 -3.454 28.423 1.00 16.76 C ATOM 528 CG MET A 50 14.784 -4.544 29.461 1.00 16.74 C ATOM 529 SD MET A 50 15.467 -6.069 28.766 1.00 18.39 S ATOM 530 CE MET A 50 14.031 -6.787 27.983 1.00 16.72 C ATOM 531 HA MET A 50 16.332 -3.859 27.433 1.00 0.00 H ATOM 532 HB2 MET A 50 14.053 -2.597 28.939 1.00 0.00 H ATOM 533 HB3 MET A 50 13.765 -3.848 27.707 1.00 0.00 H ATOM 534 HG2 MET A 50 13.855 -4.789 29.975 1.00 0.00 H ATOM 535 HG3 MET A 50 15.501 -4.145 30.179 1.00 0.00 H ATOM 536 HE1 MET A 50 13.260 -6.964 28.733 1.00 0.00 H ATOM 537 HE2 MET A 50 13.651 -6.102 27.225 1.00 0.00 H ATOM 538 HE3 MET A 50 14.308 -7.731 27.515 1.00 0.00 H ATOM 539 H MET A 50 16.256 -1.852 29.435 1.00 0.00 H ATOM 540 N LYS A 51 14.952 -1.052 26.380 1.00 16.60 N ATOM 541 CA LYS A 51 14.610 -0.279 25.189 1.00 17.13 C ATOM 542 C LYS A 51 15.704 -0.359 24.114 1.00 16.19 C ATOM 543 O LYS A 51 15.400 -0.599 22.945 1.00 16.03 O ATOM 544 CB LYS A 51 14.332 1.174 25.583 1.00 18.01 C ATOM 545 CG LYS A 51 13.541 1.991 24.561 1.00 21.81 C ATOM 546 CD LYS A 51 12.858 3.203 25.219 1.00 26.14 C ATOM 547 CE LYS A 51 13.871 4.300 25.558 1.00 29.13 C ATOM 548 NZ LYS A 51 13.215 5.592 25.928 1.00 32.21 N ATOM 549 HA LYS A 51 13.711 -0.711 24.751 1.00 0.00 H ATOM 550 HB2 LYS A 51 13.770 1.168 26.517 1.00 0.00 H ATOM 551 HB3 LYS A 51 15.290 1.669 25.741 1.00 0.00 H ATOM 552 HG2 LYS A 51 14.221 2.344 23.786 1.00 0.00 H ATOM 553 HG3 LYS A 51 12.779 1.355 24.111 1.00 0.00 H ATOM 554 HD2 LYS A 51 12.114 3.607 24.532 1.00 0.00 H ATOM 555 HD3 LYS A 51 12.366 2.879 26.136 1.00 0.00 H ATOM 556 HE2 LYS A 51 14.509 4.468 24.690 1.00 0.00 H ATOM 557 HE3 LYS A 51 14.482 3.965 26.397 1.00 0.00 H ATOM 558 HZ1 LYS A 51 12.636 5.926 25.131 1.00 0.00 H ATOM 559 HZ2 LYS A 51 12.610 5.446 26.761 1.00 0.00 H ATOM 560 HZ3 LYS A 51 13.945 6.299 26.148 1.00 0.00 H ATOM 561 H LYS A 51 14.903 -0.587 27.309 1.00 0.00 H ATOM 562 N GLU A 52 16.964 -0.171 24.519 1.00 15.32 N ATOM 563 CA GLU A 52 18.113 -0.226 23.601 1.00 15.30 C ATOM 564 C GLU A 52 18.340 -1.640 23.054 1.00 14.11 C ATOM 565 O GLU A 52 18.653 -1.815 21.875 1.00 13.63 O ATOM 566 CB GLU A 52 19.393 0.280 24.282 1.00 15.85 C ATOM 567 CG GLU A 52 19.422 1.792 24.556 1.00 18.50 C ATOM 568 CD GLU A 52 20.610 2.250 25.414 1.00 22.53 C ATOM 569 OE1 GLU A 52 21.056 1.514 26.333 1.00 22.22 O ATOM 570 OE2 GLU A 52 21.096 3.377 25.170 1.00 25.29 O ATOM 571 HA GLU A 52 17.876 0.429 22.763 1.00 0.00 H ATOM 572 HB2 GLU A 52 19.499 -0.240 25.234 1.00 0.00 H ATOM 573 HB3 GLU A 52 20.239 0.035 23.640 1.00 0.00 H ATOM 574 HG2 GLU A 52 19.469 2.313 23.600 1.00 0.00 H ATOM 575 HG3 GLU A 52 18.501 2.065 25.072 1.00 0.00 H ATOM 576 H GLU A 52 17.140 0.022 25.526 1.00 0.00 H ATOM 577 N VAL A 53 18.175 -2.647 23.908 1.00 13.27 N ATOM 578 CA VAL A 53 18.291 -4.035 23.453 1.00 12.62 C ATOM 579 C VAL A 53 17.273 -4.298 22.338 1.00 12.60 C ATOM 580 O VAL A 53 17.622 -4.872 21.302 1.00 12.08 O ATOM 581 CB VAL A 53 18.126 -5.056 24.612 1.00 12.25 C ATOM 582 CG1 VAL A 53 18.150 -6.487 24.079 1.00 12.61 C ATOM 583 CG2 VAL A 53 19.231 -4.860 25.661 1.00 12.09 C ATOM 584 HA VAL A 53 19.299 -4.175 23.063 1.00 0.00 H ATOM 585 HB VAL A 53 17.160 -4.881 25.085 1.00 0.00 H ATOM 586 HG11 VAL A 53 17.333 -6.623 23.370 1.00 0.00 H ATOM 587 HG12 VAL A 53 19.101 -6.671 23.579 1.00 0.00 H ATOM 588 HG13 VAL A 53 18.033 -7.184 24.909 1.00 0.00 H ATOM 589 HG21 VAL A 53 20.204 -5.008 25.193 1.00 0.00 H ATOM 590 HG22 VAL A 53 19.171 -3.850 26.066 1.00 0.00 H ATOM 591 HG23 VAL A 53 19.099 -5.584 26.465 1.00 0.00 H ATOM 592 H VAL A 53 17.962 -2.447 24.906 1.00 0.00 H ATOM 593 N LEU A 54 16.032 -3.852 22.544 1.00 12.56 N ATOM 594 CA LEU A 54 14.968 -4.047 21.549 1.00 13.42 C ATOM 595 C LEU A 54 15.251 -3.351 20.227 1.00 13.55 C ATOM 596 O LEU A 54 14.953 -3.898 19.168 1.00 13.71 O ATOM 597 CB LEU A 54 13.592 -3.630 22.095 1.00 13.34 C ATOM 598 CG LEU A 54 12.769 -4.705 22.824 1.00 14.17 C ATOM 599 CD1 LEU A 54 12.424 -5.867 21.898 1.00 13.56 C ATOM 600 CD2 LEU A 54 13.468 -5.221 24.080 1.00 15.07 C ATOM 601 HA LEU A 54 14.949 -5.118 21.347 1.00 0.00 H ATOM 602 HB2 LEU A 54 13.752 -2.809 22.794 1.00 0.00 H ATOM 603 HB3 LEU A 54 12.998 -3.278 21.252 1.00 0.00 H ATOM 604 HG LEU A 54 11.843 -4.221 23.136 1.00 0.00 H ATOM 605 HD21 LEU A 54 14.428 -5.659 23.806 1.00 0.00 H ATOM 606 HD22 LEU A 54 13.629 -4.393 24.771 1.00 0.00 H ATOM 607 HD23 LEU A 54 12.845 -5.978 24.556 1.00 0.00 H ATOM 608 HD11 LEU A 54 11.841 -5.497 21.055 1.00 0.00 H ATOM 609 HD12 LEU A 54 13.344 -6.324 21.532 1.00 0.00 H ATOM 610 HD13 LEU A 54 11.842 -6.607 22.447 1.00 0.00 H ATOM 611 H LEU A 54 15.813 -3.354 23.430 1.00 0.00 H ATOM 612 N PHE A 55 15.837 -2.155 20.289 1.00 13.74 N ATOM 613 CA PHE A 55 16.261 -1.440 19.076 1.00 14.20 C ATOM 614 C PHE A 55 17.232 -2.264 18.221 1.00 13.81 C ATOM 615 O PHE A 55 17.024 -2.440 17.022 1.00 14.04 O ATOM 616 CB PHE A 55 16.916 -0.099 19.428 1.00 13.99 C ATOM 617 CG PHE A 55 17.644 0.542 18.270 1.00 16.23 C ATOM 618 CD1 PHE A 55 16.938 1.202 17.273 1.00 18.12 C ATOM 619 CD2 PHE A 55 19.038 0.491 18.186 1.00 17.71 C ATOM 620 CE1 PHE A 55 17.607 1.800 16.191 1.00 18.93 C ATOM 621 CE2 PHE A 55 19.715 1.086 17.109 1.00 19.06 C ATOM 622 CZ PHE A 55 18.990 1.740 16.114 1.00 18.49 C ATOM 623 HA PHE A 55 15.356 -1.266 18.493 1.00 0.00 H ATOM 624 HB2 PHE A 55 16.139 0.586 19.768 1.00 0.00 H ATOM 625 HB3 PHE A 55 17.630 -0.265 20.235 1.00 0.00 H ATOM 626 HD2 PHE A 55 19.606 -0.016 18.965 1.00 0.00 H ATOM 627 HE2 PHE A 55 20.802 1.037 17.051 1.00 0.00 H ATOM 628 HZ PHE A 55 19.510 2.204 15.276 1.00 0.00 H ATOM 629 HE1 PHE A 55 17.039 2.310 15.413 1.00 0.00 H ATOM 630 HD1 PHE A 55 15.851 1.257 17.330 1.00 0.00 H ATOM 631 H PHE A 55 15.998 -1.717 21.218 1.00 0.00 H ATOM 632 N TYR A 56 18.309 -2.736 18.844 1.00 13.77 N ATOM 633 CA TYR A 56 19.315 -3.527 18.144 1.00 13.79 C ATOM 634 C TYR A 56 18.778 -4.869 17.642 1.00 13.10 C ATOM 635 O TYR A 56 19.191 -5.342 16.585 1.00 12.89 O ATOM 636 CB TYR A 56 20.560 -3.716 19.012 1.00 14.28 C ATOM 637 CG TYR A 56 21.379 -2.450 19.176 1.00 15.79 C ATOM 638 CD1 TYR A 56 22.024 -1.864 18.080 1.00 17.15 C ATOM 639 CD2 TYR A 56 21.520 -1.844 20.424 1.00 17.36 C ATOM 640 CE1 TYR A 56 22.779 -0.706 18.226 1.00 18.01 C ATOM 641 CE2 TYR A 56 22.278 -0.686 20.582 1.00 19.03 C ATOM 642 CZ TYR A 56 22.898 -0.122 19.479 1.00 20.23 C ATOM 643 OH TYR A 56 23.648 1.022 19.631 1.00 21.60 O ATOM 644 HA TYR A 56 19.595 -2.961 17.256 1.00 0.00 H ATOM 645 HB3 TYR A 56 21.190 -4.478 18.552 1.00 0.00 H ATOM 646 HB2 TYR A 56 20.245 -4.054 19.999 1.00 0.00 H ATOM 647 HD2 TYR A 56 21.028 -2.284 21.291 1.00 0.00 H ATOM 648 HE2 TYR A 56 22.382 -0.227 21.565 1.00 0.00 H ATOM 649 HE1 TYR A 56 23.274 -0.260 17.363 1.00 0.00 H ATOM 650 HD1 TYR A 56 21.933 -2.324 17.096 1.00 0.00 H ATOM 651 HH TYR A 56 24.019 1.291 18.753 1.00 0.00 H ATOM 652 H TYR A 56 18.437 -2.536 19.856 1.00 0.00 H ATOM 653 N LEU A 57 17.861 -5.482 18.391 1.00 12.85 N ATOM 654 CA LEU A 57 17.197 -6.706 17.923 1.00 12.72 C ATOM 655 C LEU A 57 16.354 -6.411 16.682 1.00 12.79 C ATOM 656 O LEU A 57 16.333 -7.201 15.737 1.00 12.43 O ATOM 657 CB LEU A 57 16.324 -7.326 19.023 1.00 12.64 C ATOM 658 CG LEU A 57 17.055 -8.115 20.117 1.00 13.47 C ATOM 659 CD1 LEU A 57 16.080 -8.489 21.210 1.00 13.98 C ATOM 660 CD2 LEU A 57 17.741 -9.367 19.546 1.00 14.52 C ATOM 661 HA LEU A 57 17.972 -7.428 17.664 1.00 0.00 H ATOM 662 HB2 LEU A 57 15.778 -6.517 19.508 1.00 0.00 H ATOM 663 HB3 LEU A 57 15.618 -8.003 18.543 1.00 0.00 H ATOM 664 HG LEU A 57 17.837 -7.481 20.535 1.00 0.00 H ATOM 665 HD21 LEU A 57 16.991 -10.016 19.094 1.00 0.00 H ATOM 666 HD22 LEU A 57 18.468 -9.069 18.791 1.00 0.00 H ATOM 667 HD23 LEU A 57 18.248 -9.900 20.350 1.00 0.00 H ATOM 668 HD11 LEU A 57 15.653 -7.583 21.640 1.00 0.00 H ATOM 669 HD12 LEU A 57 15.284 -9.104 20.790 1.00 0.00 H ATOM 670 HD13 LEU A 57 16.603 -9.049 21.985 1.00 0.00 H ATOM 671 H LEU A 57 17.612 -5.088 19.321 1.00 0.00 H ATOM 672 N GLY A 58 15.658 -5.277 16.698 1.00 12.88 N ATOM 673 CA GLY A 58 14.981 -4.764 15.506 1.00 13.70 C ATOM 674 C GLY A 58 15.934 -4.577 14.331 1.00 13.84 C ATOM 675 O GLY A 58 15.613 -4.988 13.210 1.00 14.43 O ATOM 676 HA3 GLY A 58 14.529 -3.802 15.747 1.00 0.00 H ATOM 677 HA2 GLY A 58 14.201 -5.468 15.216 1.00 0.00 H ATOM 678 H GLY A 58 15.593 -4.738 17.585 1.00 0.00 H ATOM 679 N GLN A 59 17.097 -3.969 14.594 1.00 14.38 N ATOM 680 CA GLN A 59 18.166 -3.773 13.595 1.00 14.90 C ATOM 681 C GLN A 59 18.587 -5.092 12.944 1.00 14.62 C ATOM 682 O GLN A 59 18.770 -5.177 11.720 1.00 15.19 O ATOM 683 CB GLN A 59 19.421 -3.161 14.236 1.00 15.39 C ATOM 684 CG GLN A 59 19.395 -1.670 14.586 1.00 17.82 C ATOM 685 CD GLN A 59 19.163 -0.787 13.384 1.00 20.65 C ATOM 686 OE1 GLN A 59 18.022 -0.603 12.961 1.00 22.33 O ATOM 687 NE2 GLN A 59 20.236 -0.224 12.833 1.00 18.77 N ATOM 688 HA GLN A 59 17.752 -3.102 12.843 1.00 0.00 H ATOM 689 HB2 GLN A 59 19.613 -3.708 15.159 1.00 0.00 H ATOM 690 HB3 GLN A 59 20.248 -3.317 13.544 1.00 0.00 H ATOM 691 HG2 GLN A 59 18.595 -1.495 15.305 1.00 0.00 H ATOM 692 HG3 GLN A 59 20.351 -1.402 15.035 1.00 0.00 H ATOM 693 HE22 GLN A 59 21.181 -0.410 13.226 1.00 0.00 H ATOM 694 HE21 GLN A 59 20.130 0.402 12.009 1.00 0.00 H ATOM 695 H GLN A 59 17.257 -3.614 15.558 1.00 0.00 H ATOM 696 N TYR A 60 18.769 -6.103 13.786 1.00 13.90 N ATOM 697 CA TYR A 60 19.202 -7.437 13.370 1.00 13.39 C ATOM 698 C TYR A 60 18.183 -8.133 12.464 1.00 12.95 C ATOM 699 O TYR A 60 18.541 -8.660 11.401 1.00 12.63 O ATOM 700 CB TYR A 60 19.453 -8.276 14.621 1.00 13.36 C ATOM 701 CG TYR A 60 19.955 -9.675 14.379 1.00 14.07 C ATOM 702 CD1 TYR A 60 21.310 -9.920 14.154 1.00 14.99 C ATOM 703 CD2 TYR A 60 19.081 -10.757 14.422 1.00 14.96 C ATOM 704 CE1 TYR A 60 21.779 -11.210 13.956 1.00 16.71 C ATOM 705 CE2 TYR A 60 19.531 -12.053 14.218 1.00 16.02 C ATOM 706 CZ TYR A 60 20.882 -12.273 13.985 1.00 16.13 C ATOM 707 OH TYR A 60 21.335 -13.555 13.786 1.00 18.55 O ATOM 708 HA TYR A 60 20.115 -7.331 12.784 1.00 0.00 H ATOM 709 HB3 TYR A 60 18.515 -8.347 15.171 1.00 0.00 H ATOM 710 HB2 TYR A 60 20.191 -7.756 15.231 1.00 0.00 H ATOM 711 HD2 TYR A 60 18.023 -10.583 14.620 1.00 0.00 H ATOM 712 HE2 TYR A 60 18.832 -12.889 14.240 1.00 0.00 H ATOM 713 HE1 TYR A 60 22.840 -11.389 13.779 1.00 0.00 H ATOM 714 HD1 TYR A 60 22.010 -9.085 14.134 1.00 0.00 H ATOM 715 HH TYR A 60 22.313 -13.538 13.635 1.00 0.00 H ATOM 716 H TYR A 60 18.594 -5.937 14.798 1.00 0.00 H ATOM 717 N ILE A 61 16.927 -8.147 12.902 1.00 12.36 N ATOM 718 CA ILE A 61 15.833 -8.783 12.177 1.00 12.62 C ATOM 719 C ILE A 61 15.700 -8.159 10.785 1.00 13.49 C ATOM 720 O ILE A 61 15.540 -8.860 9.773 1.00 13.00 O ATOM 721 CB ILE A 61 14.501 -8.650 12.964 1.00 12.56 C ATOM 722 CG1 ILE A 61 14.561 -9.485 14.249 1.00 12.33 C ATOM 723 CG2 ILE A 61 13.313 -9.085 12.114 1.00 12.30 C ATOM 724 CD1 ILE A 61 13.436 -9.192 15.235 1.00 11.88 C ATOM 725 HA ILE A 61 16.055 -9.845 12.069 1.00 0.00 H ATOM 726 HB ILE A 61 14.366 -7.600 13.224 1.00 0.00 H ATOM 727 HG12 ILE A 61 14.511 -10.539 13.975 1.00 0.00 H ATOM 728 HG13 ILE A 61 15.511 -9.284 14.744 1.00 0.00 H ATOM 729 HD11 ILE A 61 13.478 -8.144 15.531 1.00 0.00 H ATOM 730 HD12 ILE A 61 12.476 -9.399 14.761 1.00 0.00 H ATOM 731 HD13 ILE A 61 13.552 -9.824 16.115 1.00 0.00 H ATOM 732 HG21 ILE A 61 13.256 -8.458 11.224 1.00 0.00 H ATOM 733 HG22 ILE A 61 13.441 -10.127 11.819 1.00 0.00 H ATOM 734 HG23 ILE A 61 12.396 -8.980 12.693 1.00 0.00 H ATOM 735 H ILE A 61 16.714 -7.681 13.807 1.00 0.00 H ATOM 736 N MET A 62 15.794 -6.837 10.757 1.00 14.05 N ATOM 737 CA MET A 62 15.732 -6.067 9.521 1.00 15.33 C ATOM 738 C MET A 62 16.864 -6.403 8.545 1.00 15.29 C ATOM 739 O MET A 62 16.600 -6.688 7.385 1.00 15.59 O ATOM 740 CB MET A 62 15.755 -4.577 9.856 1.00 15.49 C ATOM 741 CG MET A 62 15.608 -3.682 8.653 1.00 18.67 C ATOM 742 SD MET A 62 14.010 -3.896 7.876 1.00 25.72 S ATOM 743 CE MET A 62 12.965 -3.203 9.151 1.00 26.87 C ATOM 744 HA MET A 62 14.802 -6.333 9.019 1.00 0.00 H ATOM 745 HB2 MET A 62 14.936 -4.366 10.544 1.00 0.00 H ATOM 746 HB3 MET A 62 16.704 -4.348 10.341 1.00 0.00 H ATOM 747 HG2 MET A 62 16.389 -3.924 7.932 1.00 0.00 H ATOM 748 HG3 MET A 62 15.714 -2.644 8.967 1.00 0.00 H ATOM 749 HE1 MET A 62 13.093 -3.771 10.073 1.00 0.00 H ATOM 750 HE2 MET A 62 13.243 -2.163 9.322 1.00 0.00 H ATOM 751 HE3 MET A 62 11.924 -3.254 8.833 1.00 0.00 H ATOM 752 H MET A 62 15.917 -6.328 11.655 1.00 0.00 H ATOM 753 N THR A 63 18.110 -6.368 9.014 1.00 16.19 N ATOM 754 CA THR A 63 19.275 -6.561 8.141 1.00 17.44 C ATOM 755 C THR A 63 19.371 -7.980 7.613 1.00 17.94 C ATOM 756 O THR A 63 19.748 -8.192 6.455 1.00 17.84 O ATOM 757 CB THR A 63 20.590 -6.172 8.839 1.00 17.33 C ATOM 758 OG1 THR A 63 20.415 -4.893 9.441 1.00 19.59 O ATOM 759 CG2 THR A 63 21.738 -6.069 7.836 1.00 17.91 C ATOM 760 HA THR A 63 19.124 -5.893 7.293 1.00 0.00 H ATOM 761 HB THR A 63 20.833 -6.937 9.577 1.00 0.00 H ATOM 762 HG1 THR A 63 21.253 -4.626 9.896 1.00 0.00 H ATOM 763 HG23 THR A 63 21.892 -7.038 7.361 1.00 0.00 H ATOM 764 HG21 THR A 63 21.491 -5.326 7.078 1.00 0.00 H ATOM 765 HG22 THR A 63 22.648 -5.770 8.356 1.00 0.00 H ATOM 766 H THR A 63 18.263 -6.199 10.029 1.00 0.00 H ATOM 767 N LYS A 64 19.022 -8.945 8.460 1.00 17.81 N ATOM 768 CA LYS A 64 18.980 -10.346 8.051 1.00 18.28 C ATOM 769 C LYS A 64 17.648 -10.740 7.395 1.00 17.93 C ATOM 770 O LYS A 64 17.475 -11.889 6.965 1.00 17.85 O ATOM 771 CB LYS A 64 19.303 -11.248 9.243 1.00 18.15 C ATOM 772 CG LYS A 64 20.725 -11.039 9.758 1.00 20.26 C ATOM 773 CD LYS A 64 21.174 -12.136 10.696 1.00 24.02 C ATOM 774 CE LYS A 64 21.617 -13.397 9.965 1.00 25.75 C ATOM 775 NZ LYS A 64 22.161 -14.374 10.947 1.00 27.28 N ATOM 776 HA LYS A 64 19.741 -10.483 7.283 1.00 0.00 H ATOM 777 HB2 LYS A 64 18.602 -11.029 10.049 1.00 0.00 H ATOM 778 HB3 LYS A 64 19.190 -12.288 8.937 1.00 0.00 H ATOM 779 HG2 LYS A 64 21.404 -11.009 8.906 1.00 0.00 H ATOM 780 HG3 LYS A 64 20.768 -10.088 10.288 1.00 0.00 H ATOM 781 HD2 LYS A 64 22.010 -11.766 11.290 1.00 0.00 H ATOM 782 HD3 LYS A 64 20.345 -12.390 11.357 1.00 0.00 H ATOM 783 HE2 LYS A 64 22.389 -13.144 9.238 1.00 0.00 H ATOM 784 HE3 LYS A 64 20.764 -13.837 9.449 1.00 0.00 H ATOM 785 HZ1 LYS A 64 22.975 -13.953 11.438 1.00 0.00 H ATOM 786 HZ2 LYS A 64 21.423 -14.615 11.639 1.00 0.00 H ATOM 787 HZ3 LYS A 64 22.463 -15.234 10.447 1.00 0.00 H ATOM 788 H LYS A 64 18.773 -8.695 9.438 1.00 0.00 H ATOM 789 N ARG A 65 16.734 -9.772 7.301 1.00 17.77 N ATOM 790 CA ARG A 65 15.400 -9.955 6.726 1.00 17.67 C ATOM 791 C ARG A 65 14.720 -11.220 7.215 1.00 17.29 C ATOM 792 O ARG A 65 14.302 -12.055 6.408 1.00 16.50 O ATOM 793 CB ARG A 65 15.440 -9.958 5.195 1.00 18.74 C ATOM 794 CG ARG A 65 15.611 -8.597 4.592 1.00 20.76 C ATOM 795 CD ARG A 65 14.909 -8.538 3.264 1.00 25.15 C ATOM 796 NE ARG A 65 15.828 -8.083 2.236 1.00 28.85 N ATOM 797 CZ ARG A 65 15.466 -7.474 1.116 1.00 29.70 C ATOM 798 NH1 ARG A 65 14.187 -7.218 0.867 1.00 30.35 N ATOM 799 NH2 ARG A 65 16.399 -7.107 0.252 1.00 31.51 N ATOM 800 HA ARG A 65 14.813 -9.102 7.067 1.00 0.00 H ATOM 801 HB2 ARG A 65 16.273 -10.584 4.874 1.00 0.00 H ATOM 802 HB3 ARG A 65 14.506 -10.382 4.827 1.00 0.00 H ATOM 803 HG2 ARG A 65 15.186 -7.848 5.260 1.00 0.00 H ATOM 804 HG3 ARG A 65 16.673 -8.394 4.450 1.00 0.00 H ATOM 805 HD2 ARG A 65 14.069 -7.846 3.330 1.00 0.00 H ATOM 806 HD3 ARG A 65 14.541 -9.531 3.006 1.00 0.00 H ATOM 807 HE ARG A 65 16.843 -8.247 2.390 1.00 0.00 H ATOM 808 HH12 ARG A 65 13.915 -6.740 -0.015 1.00 0.00 H ATOM 809 HH11 ARG A 65 13.458 -7.496 1.554 1.00 0.00 H ATOM 810 HH22 ARG A 65 16.130 -6.628 -0.631 1.00 0.00 H ATOM 811 HH21 ARG A 65 17.401 -7.297 0.456 1.00 0.00 H ATOM 812 H ARG A 65 16.985 -8.828 7.659 1.00 0.00 H ATOM 813 N LEU A 66 14.629 -11.354 8.537 1.00 16.49 N ATOM 814 CA LEU A 66 14.028 -12.528 9.164 1.00 16.35 C ATOM 815 C LEU A 66 12.506 -12.456 9.177 1.00 16.31 C ATOM 816 O LEU A 66 11.841 -13.477 9.340 1.00 16.02 O ATOM 817 CB LEU A 66 14.575 -12.733 10.581 1.00 16.03 C ATOM 818 CG LEU A 66 16.088 -12.921 10.710 1.00 16.28 C ATOM 819 CD1 LEU A 66 16.463 -13.161 12.157 1.00 16.50 C ATOM 820 CD2 LEU A 66 16.574 -14.060 9.828 1.00 16.33 C ATOM 821 HA LEU A 66 14.305 -13.391 8.558 1.00 0.00 H ATOM 822 HB2 LEU A 66 14.298 -11.860 11.172 1.00 0.00 H ATOM 823 HB3 LEU A 66 14.095 -13.619 10.996 1.00 0.00 H ATOM 824 HG LEU A 66 16.578 -12.008 10.371 1.00 0.00 H ATOM 825 HD21 LEU A 66 16.080 -14.985 10.126 1.00 0.00 H ATOM 826 HD22 LEU A 66 16.337 -13.839 8.787 1.00 0.00 H ATOM 827 HD23 LEU A 66 17.653 -14.170 9.940 1.00 0.00 H ATOM 828 HD11 LEU A 66 16.157 -12.304 12.757 1.00 0.00 H ATOM 829 HD12 LEU A 66 15.959 -14.058 12.518 1.00 0.00 H ATOM 830 HD13 LEU A 66 17.542 -13.293 12.234 1.00 0.00 H ATOM 831 H LEU A 66 14.999 -10.595 9.145 1.00 0.00 H ATOM 832 N TYR A 67 11.961 -11.250 8.989 1.00 16.32 N ATOM 833 CA TYR A 67 10.519 -11.072 8.845 1.00 16.53 C ATOM 834 C TYR A 67 10.060 -11.727 7.536 1.00 17.24 C ATOM 835 O TYR A 67 10.801 -11.746 6.553 1.00 16.58 O ATOM 836 CB TYR A 67 10.142 -9.577 8.878 1.00 16.29 C ATOM 837 CG TYR A 67 10.768 -8.771 7.754 1.00 16.14 C ATOM 838 CD1 TYR A 67 10.083 -8.565 6.556 1.00 15.90 C ATOM 839 CD2 TYR A 67 12.053 -8.243 7.881 1.00 15.34 C ATOM 840 CE1 TYR A 67 10.657 -7.846 5.515 1.00 16.18 C ATOM 841 CE2 TYR A 67 12.637 -7.529 6.846 1.00 16.94 C ATOM 842 CZ TYR A 67 11.932 -7.336 5.666 1.00 16.44 C ATOM 843 OH TYR A 67 12.504 -6.623 4.641 1.00 18.12 O ATOM 844 HA TYR A 67 10.012 -11.552 9.682 1.00 0.00 H ATOM 845 HB3 TYR A 67 10.472 -9.158 9.829 1.00 0.00 H ATOM 846 HB2 TYR A 67 9.058 -9.492 8.802 1.00 0.00 H ATOM 847 HD2 TYR A 67 12.606 -8.394 8.808 1.00 0.00 H ATOM 848 HE2 TYR A 67 13.642 -7.122 6.958 1.00 0.00 H ATOM 849 HE1 TYR A 67 10.107 -7.686 4.588 1.00 0.00 H ATOM 850 HD1 TYR A 67 9.080 -8.975 6.435 1.00 0.00 H ATOM 851 HH TYR A 67 11.873 -6.579 3.879 1.00 0.00 H ATOM 852 H TYR A 67 12.581 -10.416 8.944 1.00 0.00 H ATOM 853 N ASP A 68 8.851 -12.275 7.535 1.00 18.46 N ATOM 854 CA ASP A 68 8.300 -12.903 6.337 1.00 20.37 C ATOM 855 C ASP A 68 7.886 -11.846 5.309 1.00 21.14 C ATOM 856 O ASP A 68 7.239 -10.868 5.659 1.00 20.83 O ATOM 857 CB ASP A 68 7.105 -13.773 6.699 1.00 20.43 C ATOM 858 CG ASP A 68 6.626 -14.617 5.531 1.00 22.73 C ATOM 859 OD1 ASP A 68 7.432 -15.404 4.983 1.00 23.88 O ATOM 860 OD2 ASP A 68 5.440 -14.486 5.170 1.00 24.61 O ATOM 861 HA ASP A 68 9.075 -13.530 5.895 1.00 0.00 H ATOM 862 HB2 ASP A 68 7.389 -14.436 7.516 1.00 0.00 H ATOM 863 HB3 ASP A 68 6.288 -13.128 7.023 1.00 0.00 H ATOM 864 H ASP A 68 8.284 -12.257 8.406 1.00 0.00 H ATOM 865 N GLU A 69 8.257 -12.044 4.046 1.00 22.83 N ATOM 866 CA GLU A 69 7.940 -11.062 2.999 1.00 24.70 C ATOM 867 C GLU A 69 6.429 -10.875 2.811 1.00 25.16 C ATOM 868 O GLU A 69 5.964 -9.750 2.645 1.00 25.74 O ATOM 869 CB GLU A 69 8.639 -11.400 1.672 1.00 25.19 C ATOM 870 CG GLU A 69 8.840 -10.190 0.741 1.00 27.90 C ATOM 871 CD GLU A 69 9.621 -9.055 1.397 1.00 31.22 C ATOM 872 OE1 GLU A 69 10.800 -9.260 1.776 1.00 33.18 O ATOM 873 OE2 GLU A 69 9.052 -7.951 1.529 1.00 33.22 O ATOM 874 HA GLU A 69 8.333 -10.105 3.341 1.00 0.00 H ATOM 875 HB2 GLU A 69 9.617 -11.824 1.898 1.00 0.00 H ATOM 876 HB3 GLU A 69 8.036 -12.140 1.146 1.00 0.00 H ATOM 877 HG2 GLU A 69 9.384 -10.519 -0.144 1.00 0.00 H ATOM 878 HG3 GLU A 69 7.861 -9.813 0.445 1.00 0.00 H ATOM 879 H GLU A 69 8.780 -12.908 3.796 1.00 0.00 H ATOM 880 N LYS A 70 5.678 -11.973 2.869 1.00 25.81 N ATOM 881 CA LYS A 70 4.210 -11.956 2.771 1.00 26.43 C ATOM 882 C LYS A 70 3.509 -11.496 4.061 1.00 26.12 C ATOM 883 O LYS A 70 2.572 -10.691 4.012 1.00 26.31 O ATOM 884 CB LYS A 70 3.704 -13.346 2.359 1.00 27.01 C ATOM 885 CG LYS A 70 2.194 -13.472 2.160 1.00 29.23 C ATOM 886 CD LYS A 70 1.760 -13.050 0.754 1.00 31.78 C ATOM 887 CE LYS A 70 0.354 -13.545 0.423 1.00 33.12 C ATOM 888 NZ LYS A 70 -0.714 -12.897 1.245 1.00 34.57 N ATOM 889 HA LYS A 70 3.956 -11.218 2.010 1.00 0.00 H ATOM 890 HB2 LYS A 70 4.189 -13.614 1.420 1.00 0.00 H ATOM 891 HB3 LYS A 70 4.000 -14.053 3.134 1.00 0.00 H ATOM 892 HG2 LYS A 70 1.904 -14.510 2.321 1.00 0.00 H ATOM 893 HG3 LYS A 70 1.689 -12.838 2.889 1.00 0.00 H ATOM 894 HD2 LYS A 70 1.775 -11.962 0.691 1.00 0.00 H ATOM 895 HD3 LYS A 70 2.460 -13.464 0.029 1.00 0.00 H ATOM 896 HE2 LYS A 70 0.317 -14.621 0.594 1.00 0.00 H ATOM 897 HE3 LYS A 70 0.154 -13.339 -0.628 1.00 0.00 H ATOM 898 HZ1 LYS A 70 -0.542 -13.094 2.252 1.00 0.00 H ATOM 899 HZ2 LYS A 70 -0.698 -11.870 1.084 1.00 0.00 H ATOM 900 HZ3 LYS A 70 -1.641 -13.278 0.969 1.00 0.00 H ATOM 901 H LYS A 70 6.154 -12.890 2.990 1.00 0.00 H ATOM 902 N GLN A 71 3.948 -12.017 5.206 1.00 25.40 N ATOM 903 CA GLN A 71 3.355 -11.657 6.493 1.00 24.69 C ATOM 904 C GLN A 71 4.412 -10.947 7.335 1.00 23.65 C ATOM 905 O GLN A 71 5.100 -11.579 8.139 1.00 23.15 O ATOM 906 CB GLN A 71 2.817 -12.895 7.229 1.00 24.94 C ATOM 907 CG GLN A 71 1.736 -13.697 6.488 1.00 27.16 C ATOM 908 CD GLN A 71 0.492 -12.882 6.148 1.00 29.72 C ATOM 909 OE1 GLN A 71 0.092 -11.977 6.887 1.00 30.81 O ATOM 910 NE2 GLN A 71 -0.127 -13.205 5.015 1.00 31.08 N ATOM 911 HA GLN A 71 2.508 -10.993 6.323 1.00 0.00 H ATOM 912 HB2 GLN A 71 3.657 -13.563 7.419 1.00 0.00 H ATOM 913 HB3 GLN A 71 2.396 -12.563 8.178 1.00 0.00 H ATOM 914 HG2 GLN A 71 2.164 -14.076 5.560 1.00 0.00 H ATOM 915 HG3 GLN A 71 1.437 -14.535 7.117 1.00 0.00 H ATOM 916 HE22 GLN A 71 0.243 -13.974 4.421 1.00 0.00 H ATOM 917 HE21 GLN A 71 -0.981 -12.688 4.723 1.00 0.00 H ATOM 918 H GLN A 71 4.734 -12.698 5.184 1.00 0.00 H ATOM 919 N GLN A 72 4.532 -9.636 7.143 1.00 22.20 N ATOM 920 CA GLN A 72 5.699 -8.889 7.630 1.00 21.20 C ATOM 921 C GLN A 72 5.732 -8.632 9.136 1.00 19.95 C ATOM 922 O GLN A 72 6.725 -8.113 9.656 1.00 19.80 O ATOM 923 CB GLN A 72 5.895 -7.596 6.828 1.00 21.51 C ATOM 924 CG GLN A 72 6.231 -7.867 5.360 1.00 23.30 C ATOM 925 CD GLN A 72 6.591 -6.624 4.579 1.00 25.17 C ATOM 926 OE1 GLN A 72 6.401 -5.500 5.045 1.00 26.95 O ATOM 927 NE2 GLN A 72 7.123 -6.822 3.379 1.00 25.45 N ATOM 928 HA GLN A 72 6.548 -9.550 7.457 1.00 0.00 H ATOM 929 HB2 GLN A 72 4.976 -7.011 6.875 1.00 0.00 H ATOM 930 HB3 GLN A 72 6.710 -7.026 7.275 1.00 0.00 H ATOM 931 HG2 GLN A 72 7.076 -8.555 5.321 1.00 0.00 H ATOM 932 HG3 GLN A 72 5.365 -8.331 4.888 1.00 0.00 H ATOM 933 HE22 GLN A 72 7.265 -7.790 3.026 1.00 0.00 H ATOM 934 HE21 GLN A 72 7.398 -6.009 2.791 1.00 0.00 H ATOM 935 H GLN A 72 3.780 -9.127 6.635 1.00 0.00 H ATOM 936 N HIS A 73 4.660 -9.012 9.825 1.00 18.53 N ATOM 937 CA HIS A 73 4.618 -8.987 11.291 1.00 17.69 C ATOM 938 C HIS A 73 5.116 -10.307 11.908 1.00 16.53 C ATOM 939 O HIS A 73 5.266 -10.405 13.125 1.00 15.61 O ATOM 940 CB HIS A 73 3.197 -8.680 11.778 1.00 17.97 C ATOM 941 CG HIS A 73 2.179 -9.672 11.316 1.00 20.33 C ATOM 942 ND1 HIS A 73 1.628 -10.619 12.152 1.00 22.46 N ATOM 943 CD2 HIS A 73 1.628 -9.881 10.097 1.00 21.46 C ATOM 944 CE1 HIS A 73 0.774 -11.362 11.471 1.00 22.34 C ATOM 945 NE2 HIS A 73 0.757 -10.936 10.221 1.00 23.73 N ATOM 946 HA HIS A 73 5.292 -8.196 11.621 1.00 0.00 H ATOM 947 HB2 HIS A 73 3.200 -8.671 12.868 1.00 0.00 H ATOM 948 HB3 HIS A 73 2.911 -7.695 11.409 1.00 0.00 H ATOM 949 HD2 HIS A 73 1.837 -9.318 9.188 1.00 0.00 H ATOM 950 HE1 HIS A 73 0.184 -12.186 11.872 1.00 0.00 H ATOM 951 H HIS A 73 3.821 -9.339 9.305 1.00 0.00 H ATOM 952 N ILE A 74 5.353 -11.315 11.068 1.00 15.31 N ATOM 953 CA ILE A 74 5.890 -12.604 11.525 1.00 14.69 C ATOM 954 C ILE A 74 7.398 -12.705 11.273 1.00 14.16 C ATOM 955 O ILE A 74 7.875 -12.470 10.157 1.00 13.89 O ATOM 956 CB ILE A 74 5.149 -13.806 10.861 1.00 15.02 C ATOM 957 CG1 ILE A 74 3.632 -13.735 11.111 1.00 14.61 C ATOM 958 CG2 ILE A 74 5.732 -15.154 11.331 1.00 15.73 C ATOM 959 CD1 ILE A 74 3.183 -13.986 12.558 1.00 17.12 C ATOM 960 HA ILE A 74 5.718 -12.653 12.600 1.00 0.00 H ATOM 961 HB ILE A 74 5.309 -13.736 9.785 1.00 0.00 H ATOM 962 HG12 ILE A 74 3.291 -12.741 10.822 1.00 0.00 H ATOM 963 HG13 ILE A 74 3.153 -14.481 10.477 1.00 0.00 H ATOM 964 HD11 ILE A 74 3.498 -14.983 12.867 1.00 0.00 H ATOM 965 HD12 ILE A 74 3.636 -13.241 13.212 1.00 0.00 H ATOM 966 HD13 ILE A 74 2.097 -13.912 12.618 1.00 0.00 H ATOM 967 HG21 ILE A 74 6.787 -15.206 11.062 1.00 0.00 H ATOM 968 HG22 ILE A 74 5.627 -15.236 12.413 1.00 0.00 H ATOM 969 HG23 ILE A 74 5.193 -15.969 10.849 1.00 0.00 H ATOM 970 H ILE A 74 5.151 -11.185 10.056 1.00 0.00 H ATOM 971 N VAL A 75 8.143 -13.041 12.325 1.00 13.81 N ATOM 972 CA VAL A 75 9.583 -13.261 12.241 1.00 13.27 C ATOM 973 C VAL A 75 9.850 -14.766 12.270 1.00 13.66 C ATOM 974 O VAL A 75 9.395 -15.463 13.182 1.00 12.96 O ATOM 975 CB VAL A 75 10.333 -12.560 13.411 1.00 13.28 C ATOM 976 CG1 VAL A 75 11.833 -12.854 13.374 1.00 13.39 C ATOM 977 CG2 VAL A 75 10.123 -11.045 13.353 1.00 13.29 C ATOM 978 HA VAL A 75 9.954 -12.831 11.311 1.00 0.00 H ATOM 979 HB VAL A 75 9.920 -12.956 14.339 1.00 0.00 H ATOM 980 HG11 VAL A 75 11.993 -13.929 13.457 1.00 0.00 H ATOM 981 HG12 VAL A 75 12.249 -12.494 12.433 1.00 0.00 H ATOM 982 HG13 VAL A 75 12.322 -12.347 14.206 1.00 0.00 H ATOM 983 HG21 VAL A 75 10.506 -10.662 12.407 1.00 0.00 H ATOM 984 HG22 VAL A 75 9.059 -10.824 13.432 1.00 0.00 H ATOM 985 HG23 VAL A 75 10.655 -10.574 14.179 1.00 0.00 H ATOM 986 H VAL A 75 7.677 -13.152 13.248 1.00 0.00 H ATOM 987 N TYR A 76 10.552 -15.262 11.255 1.00 13.58 N ATOM 988 CA TYR A 76 11.040 -16.641 11.261 1.00 14.38 C ATOM 989 C TYR A 76 12.493 -16.660 11.703 1.00 14.04 C ATOM 990 O TYR A 76 13.403 -16.307 10.951 1.00 14.14 O ATOM 991 CB TYR A 76 10.857 -17.312 9.889 1.00 14.61 C ATOM 992 CG TYR A 76 9.416 -17.631 9.571 1.00 16.49 C ATOM 993 CD1 TYR A 76 8.832 -18.828 10.007 1.00 17.35 C ATOM 994 CD2 TYR A 76 8.625 -16.735 8.845 1.00 16.36 C ATOM 995 CE1 TYR A 76 7.504 -19.121 9.724 1.00 18.01 C ATOM 996 CE2 TYR A 76 7.296 -17.028 8.555 1.00 17.94 C ATOM 997 CZ TYR A 76 6.745 -18.219 9.000 1.00 18.37 C ATOM 998 OH TYR A 76 5.431 -18.512 8.718 1.00 18.19 O ATOM 999 HA TYR A 76 10.449 -17.220 11.970 1.00 0.00 H ATOM 1000 HB3 TYR A 76 11.428 -18.240 9.878 1.00 0.00 H ATOM 1001 HB2 TYR A 76 11.241 -16.641 9.121 1.00 0.00 H ATOM 1002 HD2 TYR A 76 9.055 -15.794 8.502 1.00 0.00 H ATOM 1003 HE2 TYR A 76 6.692 -16.325 7.981 1.00 0.00 H ATOM 1004 HE1 TYR A 76 7.063 -20.056 10.070 1.00 0.00 H ATOM 1005 HD1 TYR A 76 9.429 -19.540 10.577 1.00 0.00 H ATOM 1006 HH TYR A 76 5.200 -19.393 9.106 1.00 0.00 H ATOM 1007 H TYR A 76 10.759 -14.654 10.437 1.00 0.00 H ATOM 1008 N CYS A 77 12.696 -17.050 12.952 1.00 14.17 N ATOM 1009 CA CYS A 77 14.017 -17.052 13.553 1.00 14.67 C ATOM 1010 C CYS A 77 14.591 -18.467 13.710 1.00 14.87 C ATOM 1011 O CYS A 77 15.712 -18.627 14.178 1.00 14.53 O ATOM 1012 CB CYS A 77 13.982 -16.316 14.904 1.00 14.58 C ATOM 1013 SG CYS A 77 12.664 -16.877 16.028 1.00 15.69 S ATOM 1014 HA CYS A 77 14.686 -16.523 12.875 1.00 0.00 H ATOM 1015 HB2 CYS A 77 13.837 -15.253 14.711 1.00 0.00 H ATOM 1016 HB3 CYS A 77 14.941 -16.466 15.400 1.00 0.00 H ATOM 1017 HG CYS A 77 12.836 -18.219 16.302 1.00 0.00 H ATOM 1018 H CYS A 77 11.884 -17.365 13.520 1.00 0.00 H ATOM 1019 N SER A 78 13.838 -19.491 13.305 1.00 15.49 N ATOM 1020 CA SER A 78 14.369 -20.856 13.343 1.00 16.55 C ATOM 1021 C SER A 78 15.689 -20.941 12.564 1.00 16.49 C ATOM 1022 O SER A 78 15.874 -20.245 11.553 1.00 16.40 O ATOM 1023 CB SER A 78 13.362 -21.872 12.797 1.00 16.87 C ATOM 1024 OG SER A 78 13.712 -23.190 13.215 1.00 19.97 O ATOM 1025 HA SER A 78 14.557 -21.106 14.387 1.00 0.00 H ATOM 1026 HB2 SER A 78 13.361 -21.828 11.708 1.00 0.00 H ATOM 1027 HB3 SER A 78 12.367 -21.629 13.170 1.00 0.00 H ATOM 1028 HG SER A 78 13.053 -23.835 12.855 1.00 0.00 H ATOM 1029 H SER A 78 12.871 -19.320 12.961 1.00 0.00 H ATOM 1030 N ASN A 79 16.609 -21.767 13.065 1.00 16.15 N ATOM 1031 CA ASN A 79 17.894 -22.038 12.418 1.00 16.64 C ATOM 1032 C ASN A 79 18.800 -20.806 12.322 1.00 16.81 C ATOM 1033 O ASN A 79 19.755 -20.771 11.547 1.00 16.66 O ATOM 1034 CB ASN A 79 17.669 -22.672 11.037 1.00 16.78 C ATOM 1035 CG ASN A 79 16.607 -23.754 11.070 1.00 16.96 C ATOM 1036 OD1 ASN A 79 16.677 -24.676 11.883 1.00 17.58 O ATOM 1037 ND2 ASN A 79 15.611 -23.638 10.203 1.00 16.97 N ATOM 1038 HA ASN A 79 18.425 -22.745 13.055 1.00 0.00 H ATOM 1039 HB2 ASN A 79 17.357 -21.894 10.340 1.00 0.00 H ATOM 1040 HB3 ASN A 79 18.606 -23.110 10.695 1.00 0.00 H ATOM 1041 HD22 ASN A 79 15.594 -22.842 9.534 1.00 0.00 H ATOM 1042 HD21 ASN A 79 14.847 -24.343 10.191 1.00 0.00 H ATOM 1043 H ASN A 79 16.402 -22.245 13.965 1.00 0.00 H ATOM 1044 N ASP A 80 18.481 -19.798 13.124 1.00 16.93 N ATOM 1045 CA ASP A 80 19.277 -18.589 13.214 1.00 17.09 C ATOM 1046 C ASP A 80 19.664 -18.405 14.677 1.00 16.84 C ATOM 1047 O ASP A 80 18.966 -18.891 15.566 1.00 16.15 O ATOM 1048 CB ASP A 80 18.462 -17.396 12.703 1.00 17.47 C ATOM 1049 CG ASP A 80 19.267 -16.109 12.653 1.00 18.80 C ATOM 1050 OD1 ASP A 80 19.863 -15.827 11.586 1.00 20.22 O ATOM 1051 OD2 ASP A 80 19.306 -15.379 13.678 1.00 19.27 O ATOM 1052 HA ASP A 80 20.175 -18.660 12.601 1.00 0.00 H ATOM 1053 HB2 ASP A 80 18.105 -17.623 11.698 1.00 0.00 H ATOM 1054 HB3 ASP A 80 17.609 -17.248 13.365 1.00 0.00 H ATOM 1055 H ASP A 80 17.626 -19.878 13.711 1.00 0.00 H ATOM 1056 N LEU A 81 20.779 -17.719 14.922 1.00 16.85 N ATOM 1057 CA LEU A 81 21.157 -17.317 16.280 1.00 17.15 C ATOM 1058 C LEU A 81 19.962 -16.814 17.108 1.00 16.82 C ATOM 1059 O LEU A 81 19.807 -17.194 18.271 1.00 16.75 O ATOM 1060 CB LEU A 81 22.259 -16.248 16.235 1.00 17.49 C ATOM 1061 CG LEU A 81 22.729 -15.617 17.551 1.00 19.04 C ATOM 1062 CD1 LEU A 81 23.224 -16.671 18.545 1.00 21.18 C ATOM 1063 CD2 LEU A 81 23.809 -14.564 17.280 1.00 19.92 C ATOM 1064 HA LEU A 81 21.535 -18.210 16.778 1.00 0.00 H ATOM 1065 HB2 LEU A 81 23.132 -16.706 15.769 1.00 0.00 H ATOM 1066 HB3 LEU A 81 21.895 -15.438 15.603 1.00 0.00 H ATOM 1067 HG LEU A 81 21.871 -15.126 18.010 1.00 0.00 H ATOM 1068 HD21 LEU A 81 24.659 -15.036 16.787 1.00 0.00 H ATOM 1069 HD22 LEU A 81 23.401 -13.784 16.637 1.00 0.00 H ATOM 1070 HD23 LEU A 81 24.132 -14.125 18.224 1.00 0.00 H ATOM 1071 HD11 LEU A 81 22.415 -17.366 18.769 1.00 0.00 H ATOM 1072 HD12 LEU A 81 24.061 -17.215 18.109 1.00 0.00 H ATOM 1073 HD13 LEU A 81 23.547 -16.180 19.463 1.00 0.00 H ATOM 1074 H LEU A 81 21.399 -17.461 14.128 1.00 0.00 H ATOM 1075 N LEU A 82 19.118 -15.974 16.509 1.00 16.81 N ATOM 1076 CA LEU A 82 17.978 -15.391 17.237 1.00 16.82 C ATOM 1077 C LEU A 82 16.983 -16.453 17.712 1.00 16.92 C ATOM 1078 O LEU A 82 16.456 -16.365 18.824 1.00 16.39 O ATOM 1079 CB LEU A 82 17.260 -14.312 16.402 1.00 16.63 C ATOM 1080 CG LEU A 82 16.108 -13.567 17.101 1.00 16.86 C ATOM 1081 CD1 LEU A 82 16.613 -12.800 18.325 1.00 16.29 C ATOM 1082 CD2 LEU A 82 15.376 -12.628 16.143 1.00 16.68 C ATOM 1083 HA LEU A 82 18.396 -14.915 18.124 1.00 0.00 H ATOM 1084 HB2 LEU A 82 18.003 -13.572 16.105 1.00 0.00 H ATOM 1085 HB3 LEU A 82 16.854 -14.795 15.513 1.00 0.00 H ATOM 1086 HG LEU A 82 15.394 -14.320 17.436 1.00 0.00 H ATOM 1087 HD21 LEU A 82 16.077 -11.889 15.755 1.00 0.00 H ATOM 1088 HD22 LEU A 82 14.960 -13.205 15.317 1.00 0.00 H ATOM 1089 HD23 LEU A 82 14.571 -12.122 16.676 1.00 0.00 H ATOM 1090 HD11 LEU A 82 17.058 -13.500 19.033 1.00 0.00 H ATOM 1091 HD12 LEU A 82 17.362 -12.072 18.013 1.00 0.00 H ATOM 1092 HD13 LEU A 82 15.778 -12.284 18.799 1.00 0.00 H ATOM 1093 H LEU A 82 19.267 -15.726 15.510 1.00 0.00 H ATOM 1094 N GLY A 83 16.724 -17.451 16.869 1.00 17.23 N ATOM 1095 CA GLY A 83 15.862 -18.571 17.259 1.00 17.58 C ATOM 1096 C GLY A 83 16.452 -19.393 18.394 1.00 17.92 C ATOM 1097 O GLY A 83 15.730 -19.846 19.282 1.00 18.11 O ATOM 1098 HA3 GLY A 83 15.719 -19.220 16.395 1.00 0.00 H ATOM 1099 HA2 GLY A 83 14.898 -18.176 17.578 1.00 0.00 H ATOM 1100 H GLY A 83 17.141 -17.436 15.916 1.00 0.00 H ATOM 1101 N ASP A 84 17.767 -19.584 18.362 1.00 18.49 N ATOM 1102 CA ASP A 84 18.475 -20.284 19.441 1.00 19.20 C ATOM 1103 C ASP A 84 18.311 -19.533 20.758 1.00 18.87 C ATOM 1104 O ASP A 84 18.044 -20.141 21.795 1.00 18.46 O ATOM 1105 CB ASP A 84 19.960 -20.461 19.101 1.00 19.52 C ATOM 1106 CG ASP A 84 20.181 -21.304 17.842 1.00 21.82 C ATOM 1107 OD1 ASP A 84 19.304 -22.130 17.505 1.00 25.23 O ATOM 1108 OD2 ASP A 84 21.233 -21.141 17.184 1.00 23.24 O ATOM 1109 HA ASP A 84 18.035 -21.276 19.549 1.00 0.00 H ATOM 1110 HB2 ASP A 84 20.402 -19.477 18.944 1.00 0.00 H ATOM 1111 HB3 ASP A 84 20.454 -20.950 19.940 1.00 0.00 H ATOM 1112 H ASP A 84 18.310 -19.227 17.550 1.00 0.00 H ATOM 1113 N LEU A 85 18.444 -18.206 20.703 1.00 18.43 N ATOM 1114 CA LEU A 85 18.292 -17.367 21.893 1.00 18.38 C ATOM 1115 C LEU A 85 16.861 -17.357 22.421 1.00 17.83 C ATOM 1116 O LEU A 85 16.644 -17.486 23.626 1.00 17.02 O ATOM 1117 CB LEU A 85 18.767 -15.932 21.628 1.00 18.66 C ATOM 1118 CG LEU A 85 20.224 -15.715 21.186 1.00 20.25 C ATOM 1119 CD1 LEU A 85 20.506 -14.243 20.924 1.00 20.52 C ATOM 1120 CD2 LEU A 85 21.227 -16.283 22.180 1.00 22.33 C ATOM 1121 HA LEU A 85 18.924 -17.811 22.663 1.00 0.00 H ATOM 1122 HB2 LEU A 85 18.128 -15.519 20.847 1.00 0.00 H ATOM 1123 HB3 LEU A 85 18.622 -15.369 22.550 1.00 0.00 H ATOM 1124 HG LEU A 85 20.349 -16.265 20.253 1.00 0.00 H ATOM 1125 HD21 LEU A 85 21.094 -15.797 23.147 1.00 0.00 H ATOM 1126 HD22 LEU A 85 21.064 -17.356 22.285 1.00 0.00 H ATOM 1127 HD23 LEU A 85 22.239 -16.101 21.817 1.00 0.00 H ATOM 1128 HD11 LEU A 85 19.845 -13.883 20.135 1.00 0.00 H ATOM 1129 HD12 LEU A 85 20.330 -13.673 21.836 1.00 0.00 H ATOM 1130 HD13 LEU A 85 21.544 -14.123 20.613 1.00 0.00 H ATOM 1131 H LEU A 85 18.661 -17.756 19.791 1.00 0.00 H ATOM 1132 N PHE A 86 15.894 -17.233 21.511 1.00 17.30 N ATOM 1133 CA PHE A 86 14.483 -17.109 21.885 1.00 17.40 C ATOM 1134 C PHE A 86 13.797 -18.448 22.197 1.00 17.41 C ATOM 1135 O PHE A 86 12.827 -18.488 22.959 1.00 17.64 O ATOM 1136 CB PHE A 86 13.710 -16.370 20.792 1.00 17.18 C ATOM 1137 CG PHE A 86 13.821 -14.861 20.859 1.00 17.24 C ATOM 1138 CD1 PHE A 86 14.805 -14.231 21.630 1.00 17.45 C ATOM 1139 CD2 PHE A 86 12.947 -14.069 20.118 1.00 17.31 C ATOM 1140 CE1 PHE A 86 14.896 -12.835 21.676 1.00 17.28 C ATOM 1141 CE2 PHE A 86 13.030 -12.674 20.157 1.00 17.74 C ATOM 1142 CZ PHE A 86 14.010 -12.056 20.935 1.00 16.24 C ATOM 1143 HA PHE A 86 14.469 -16.537 22.813 1.00 0.00 H ATOM 1144 HB2 PHE A 86 14.090 -16.698 19.824 1.00 0.00 H ATOM 1145 HB3 PHE A 86 12.657 -16.639 20.877 1.00 0.00 H ATOM 1146 HD2 PHE A 86 12.187 -14.544 19.498 1.00 0.00 H ATOM 1147 HE2 PHE A 86 12.330 -12.070 19.580 1.00 0.00 H ATOM 1148 HZ PHE A 86 14.082 -10.969 20.963 1.00 0.00 H ATOM 1149 HE1 PHE A 86 15.659 -12.358 22.291 1.00 0.00 H ATOM 1150 HD1 PHE A 86 15.509 -14.835 22.202 1.00 0.00 H ATOM 1151 H PHE A 86 16.150 -17.224 20.503 1.00 0.00 H ATOM 1152 N GLY A 87 14.282 -19.531 21.591 1.00 17.30 N ATOM 1153 CA GLY A 87 13.706 -20.865 21.808 1.00 17.02 C ATOM 1154 C GLY A 87 12.415 -21.155 21.044 1.00 16.91 C ATOM 1155 O GLY A 87 11.698 -22.101 21.383 1.00 17.43 O ATOM 1156 HA3 GLY A 87 13.498 -20.972 22.873 1.00 0.00 H ATOM 1157 HA2 GLY A 87 14.448 -21.605 21.507 1.00 0.00 H ATOM 1158 H GLY A 87 15.091 -19.429 20.946 1.00 0.00 H ATOM 1159 N VAL A 88 12.114 -20.348 20.025 1.00 16.24 N ATOM 1160 CA VAL A 88 10.915 -20.543 19.174 1.00 16.13 C ATOM 1161 C VAL A 88 11.273 -20.539 17.677 1.00 15.56 C ATOM 1162 O VAL A 88 12.319 -19.998 17.299 1.00 15.64 O ATOM 1163 CB VAL A 88 9.787 -19.484 19.453 1.00 16.01 C ATOM 1164 CG1 VAL A 88 9.279 -19.577 20.892 1.00 16.19 C ATOM 1165 CG2 VAL A 88 10.240 -18.051 19.088 1.00 16.41 C ATOM 1166 HA VAL A 88 10.522 -21.524 19.443 1.00 0.00 H ATOM 1167 HB VAL A 88 8.948 -19.722 18.800 1.00 0.00 H ATOM 1168 HG11 VAL A 88 8.871 -20.572 21.068 1.00 0.00 H ATOM 1169 HG12 VAL A 88 10.104 -19.394 21.580 1.00 0.00 H ATOM 1170 HG13 VAL A 88 8.500 -18.831 21.050 1.00 0.00 H ATOM 1171 HG21 VAL A 88 11.114 -17.785 19.683 1.00 0.00 H ATOM 1172 HG22 VAL A 88 10.494 -18.010 18.029 1.00 0.00 H ATOM 1173 HG23 VAL A 88 9.431 -17.351 19.296 1.00 0.00 H ATOM 1174 H VAL A 88 12.747 -19.549 19.819 1.00 0.00 H ATOM 1175 N PRO A 89 10.421 -21.155 16.821 1.00 15.51 N ATOM 1176 CA PRO A 89 10.726 -21.120 15.388 1.00 15.45 C ATOM 1177 C PRO A 89 10.280 -19.825 14.712 1.00 15.11 C ATOM 1178 O PRO A 89 10.861 -19.428 13.692 1.00 15.25 O ATOM 1179 CB PRO A 89 9.926 -22.300 14.832 1.00 15.40 C ATOM 1180 CG PRO A 89 8.757 -22.415 15.744 1.00 15.97 C ATOM 1181 CD PRO A 89 9.284 -22.051 17.114 1.00 15.35 C ATOM 1182 HA PRO A 89 11.800 -21.175 15.208 1.00 0.00 H ATOM 1183 HD3 PRO A 89 8.523 -21.536 17.700 1.00 0.00 H ATOM 1184 HD2 PRO A 89 9.616 -22.939 17.652 1.00 0.00 H ATOM 1185 HG3 PRO A 89 8.369 -23.434 15.742 1.00 0.00 H ATOM 1186 HG2 PRO A 89 7.968 -21.726 15.443 1.00 0.00 H ATOM 1187 HB2 PRO A 89 9.601 -22.100 13.811 1.00 0.00 H ATOM 1188 HB3 PRO A 89 10.521 -23.213 14.850 1.00 0.00 H ATOM 1189 N SER A 90 9.241 -19.202 15.268 1.00 14.99 N ATOM 1190 CA SER A 90 8.700 -17.937 14.775 1.00 14.95 C ATOM 1191 C SER A 90 7.944 -17.211 15.896 1.00 14.71 C ATOM 1192 O SER A 90 7.609 -17.813 16.923 1.00 14.49 O ATOM 1193 CB SER A 90 7.754 -18.180 13.598 1.00 15.25 C ATOM 1194 OG SER A 90 6.580 -18.835 14.035 1.00 15.76 O ATOM 1195 HA SER A 90 9.532 -17.318 14.440 1.00 0.00 H ATOM 1196 HB2 SER A 90 8.256 -18.800 12.856 1.00 0.00 H ATOM 1197 HB3 SER A 90 7.486 -17.224 13.149 1.00 0.00 H ATOM 1198 HG SER A 90 6.821 -19.706 14.440 1.00 0.00 H ATOM 1199 H SER A 90 8.791 -19.640 16.097 1.00 0.00 H ATOM 1200 N PHE A 91 7.667 -15.927 15.683 1.00 13.70 N ATOM 1201 CA PHE A 91 6.838 -15.135 16.599 1.00 13.46 C ATOM 1202 C PHE A 91 6.314 -13.899 15.872 1.00 13.35 C ATOM 1203 O PHE A 91 6.858 -13.504 14.834 1.00 13.22 O ATOM 1204 CB PHE A 91 7.628 -14.719 17.854 1.00 13.22 C ATOM 1205 CG PHE A 91 8.798 -13.801 17.568 1.00 13.59 C ATOM 1206 CD1 PHE A 91 8.645 -12.415 17.624 1.00 11.73 C ATOM 1207 CD2 PHE A 91 10.045 -14.319 17.230 1.00 12.96 C ATOM 1208 CE1 PHE A 91 9.722 -11.559 17.357 1.00 12.07 C ATOM 1209 CE2 PHE A 91 11.133 -13.472 16.957 1.00 12.98 C ATOM 1210 CZ PHE A 91 10.967 -12.081 17.017 1.00 13.02 C ATOM 1211 HA PHE A 91 6.000 -15.751 16.925 1.00 0.00 H ATOM 1212 HB2 PHE A 91 6.947 -14.206 18.534 1.00 0.00 H ATOM 1213 HB3 PHE A 91 8.008 -15.620 18.335 1.00 0.00 H ATOM 1214 HD2 PHE A 91 10.180 -15.399 17.176 1.00 0.00 H ATOM 1215 HE2 PHE A 91 12.104 -13.896 16.699 1.00 0.00 H ATOM 1216 HZ PHE A 91 11.803 -11.416 16.800 1.00 0.00 H ATOM 1217 HE1 PHE A 91 9.584 -10.479 17.416 1.00 0.00 H ATOM 1218 HD1 PHE A 91 7.673 -11.992 17.879 1.00 0.00 H ATOM 1219 H PHE A 91 8.053 -15.467 14.834 1.00 0.00 H ATOM 1220 N SER A 92 5.273 -13.290 16.430 1.00 13.22 N ATOM 1221 CA SER A 92 4.725 -12.038 15.907 1.00 13.31 C ATOM 1222 C SER A 92 5.309 -10.837 16.641 1.00 13.58 C ATOM 1223 O SER A 92 5.457 -10.866 17.872 1.00 13.24 O ATOM 1224 CB SER A 92 3.204 -12.032 16.050 1.00 12.85 C ATOM 1225 OG SER A 92 2.677 -10.759 15.710 1.00 14.58 O ATOM 1226 HA SER A 92 4.994 -11.966 14.853 1.00 0.00 H ATOM 1227 HB2 SER A 92 2.940 -12.266 17.081 1.00 0.00 H ATOM 1228 HB3 SER A 92 2.778 -12.785 15.387 1.00 0.00 H ATOM 1229 HG SER A 92 1.692 -10.774 15.808 1.00 0.00 H ATOM 1230 H SER A 92 4.832 -13.719 17.269 1.00 0.00 H ATOM 1231 N VAL A 93 5.615 -9.780 15.890 1.00 13.81 N ATOM 1232 CA VAL A 93 6.176 -8.552 16.465 1.00 14.43 C ATOM 1233 C VAL A 93 5.128 -7.756 17.252 1.00 15.05 C ATOM 1234 O VAL A 93 5.464 -6.800 17.953 1.00 14.71 O ATOM 1235 CB VAL A 93 6.830 -7.637 15.392 1.00 14.52 C ATOM 1236 CG1 VAL A 93 7.957 -8.368 14.666 1.00 13.64 C ATOM 1237 CG2 VAL A 93 5.779 -7.121 14.395 1.00 14.50 C ATOM 1238 HA VAL A 93 6.956 -8.879 17.153 1.00 0.00 H ATOM 1239 HB VAL A 93 7.261 -6.776 15.902 1.00 0.00 H ATOM 1240 HG11 VAL A 93 8.719 -8.664 15.386 1.00 0.00 H ATOM 1241 HG12 VAL A 93 7.556 -9.254 14.174 1.00 0.00 H ATOM 1242 HG13 VAL A 93 8.397 -7.705 13.921 1.00 0.00 H ATOM 1243 HG21 VAL A 93 5.308 -7.967 13.895 1.00 0.00 H ATOM 1244 HG22 VAL A 93 5.022 -6.548 14.931 1.00 0.00 H ATOM 1245 HG23 VAL A 93 6.264 -6.484 13.656 1.00 0.00 H ATOM 1246 H VAL A 93 5.451 -9.827 14.864 1.00 0.00 H ATOM 1247 N LYS A 94 3.864 -8.147 17.119 1.00 15.91 N ATOM 1248 CA LYS A 94 2.769 -7.476 17.829 1.00 16.87 C ATOM 1249 C LYS A 94 2.621 -7.949 19.282 1.00 17.02 C ATOM 1250 O LYS A 94 1.885 -7.352 20.062 1.00 17.22 O ATOM 1251 CB LYS A 94 1.452 -7.662 17.066 1.00 17.29 C ATOM 1252 CG LYS A 94 1.511 -7.171 15.620 1.00 18.47 C ATOM 1253 CD LYS A 94 0.164 -7.251 14.932 1.00 22.69 C ATOM 1254 CE LYS A 94 0.244 -6.678 13.515 1.00 25.60 C ATOM 1255 NZ LYS A 94 -1.057 -6.798 12.789 1.00 28.61 N ATOM 1256 HA LYS A 94 3.019 -6.416 17.871 1.00 0.00 H ATOM 1257 HB2 LYS A 94 1.203 -8.723 17.061 1.00 0.00 H ATOM 1258 HB3 LYS A 94 0.670 -7.109 17.587 1.00 0.00 H ATOM 1259 HG2 LYS A 94 1.847 -6.134 15.615 1.00 0.00 H ATOM 1260 HG3 LYS A 94 2.224 -7.785 15.069 1.00 0.00 H ATOM 1261 HD2 LYS A 94 -0.150 -8.294 14.879 1.00 0.00 H ATOM 1262 HD3 LYS A 94 -0.566 -6.682 15.507 1.00 0.00 H ATOM 1263 HE2 LYS A 94 1.009 -7.219 12.959 1.00 0.00 H ATOM 1264 HE3 LYS A 94 0.518 -5.625 13.576 1.00 0.00 H ATOM 1265 HZ1 LYS A 94 -1.323 -7.801 12.720 1.00 0.00 H ATOM 1266 HZ2 LYS A 94 -1.792 -6.278 13.309 1.00 0.00 H ATOM 1267 HZ3 LYS A 94 -0.958 -6.398 11.834 1.00 0.00 H ATOM 1268 H LYS A 94 3.646 -8.950 16.495 1.00 0.00 H ATOM 1269 N GLU A 95 3.309 -9.024 19.644 1.00 16.74 N ATOM 1270 CA GLU A 95 3.128 -9.607 20.974 1.00 16.65 C ATOM 1271 C GLU A 95 4.299 -9.239 21.891 1.00 15.49 C ATOM 1272 O GLU A 95 5.193 -10.055 22.135 1.00 15.37 O ATOM 1273 CB GLU A 95 2.912 -11.125 20.865 1.00 17.08 C ATOM 1274 CG GLU A 95 1.546 -11.519 20.276 1.00 19.89 C ATOM 1275 CD GLU A 95 1.467 -12.974 19.811 1.00 23.28 C ATOM 1276 OE1 GLU A 95 2.030 -13.868 20.478 1.00 25.26 O ATOM 1277 OE2 GLU A 95 0.821 -13.233 18.770 1.00 25.90 O ATOM 1278 HA GLU A 95 2.231 -9.188 21.431 1.00 0.00 H ATOM 1279 HB2 GLU A 95 3.693 -11.538 20.227 1.00 0.00 H ATOM 1280 HB3 GLU A 95 2.993 -11.556 21.863 1.00 0.00 H ATOM 1281 HG2 GLU A 95 0.784 -11.361 21.040 1.00 0.00 H ATOM 1282 HG3 GLU A 95 1.342 -10.874 19.422 1.00 0.00 H ATOM 1283 H GLU A 95 3.981 -9.455 18.978 1.00 0.00 H ATOM 1284 N HIS A 96 4.273 -8.007 22.403 1.00 14.38 N ATOM 1285 CA HIS A 96 5.418 -7.425 23.120 1.00 13.80 C ATOM 1286 C HIS A 96 5.792 -8.172 24.400 1.00 13.08 C ATOM 1287 O HIS A 96 6.970 -8.404 24.662 1.00 12.33 O ATOM 1288 CB HIS A 96 5.168 -5.954 23.457 1.00 14.28 C ATOM 1289 CG HIS A 96 5.071 -5.059 22.262 1.00 15.80 C ATOM 1290 ND1 HIS A 96 5.263 -3.698 22.344 1.00 18.47 N ATOM 1291 CD2 HIS A 96 4.797 -5.323 20.962 1.00 17.40 C ATOM 1292 CE1 HIS A 96 5.109 -3.160 21.146 1.00 18.92 C ATOM 1293 NE2 HIS A 96 4.827 -4.125 20.289 1.00 19.02 N ATOM 1294 HA HIS A 96 6.259 -7.518 22.432 1.00 0.00 H ATOM 1295 HB2 HIS A 96 4.233 -5.885 24.013 1.00 0.00 H ATOM 1296 HB3 HIS A 96 5.988 -5.602 24.082 1.00 0.00 H ATOM 1297 HD2 HIS A 96 4.591 -6.302 20.530 1.00 0.00 H ATOM 1298 HE1 HIS A 96 5.199 -2.101 20.906 1.00 0.00 H ATOM 1299 H HIS A 96 3.411 -7.437 22.291 1.00 0.00 H ATOM 1300 N ARG A 97 4.796 -8.524 25.204 1.00 12.34 N ATOM 1301 CA ARG A 97 5.068 -9.246 26.455 1.00 12.32 C ATOM 1302 C ARG A 97 5.756 -10.581 26.169 1.00 11.83 C ATOM 1303 O ARG A 97 6.720 -10.945 26.845 1.00 11.81 O ATOM 1304 CB ARG A 97 3.793 -9.418 27.294 1.00 12.01 C ATOM 1305 CG ARG A 97 3.930 -10.337 28.536 1.00 12.46 C ATOM 1306 CD ARG A 97 5.068 -9.922 29.476 1.00 10.95 C ATOM 1307 NE ARG A 97 4.899 -8.557 29.953 1.00 11.58 N ATOM 1308 CZ ARG A 97 5.862 -7.797 30.463 1.00 12.33 C ATOM 1309 NH1 ARG A 97 7.108 -8.251 30.577 1.00 12.54 N ATOM 1310 NH2 ARG A 97 5.570 -6.570 30.863 1.00 10.91 N ATOM 1311 HA ARG A 97 5.754 -8.646 27.053 1.00 0.00 H ATOM 1312 HB2 ARG A 97 3.482 -8.432 27.638 1.00 0.00 H ATOM 1313 HB3 ARG A 97 3.020 -9.837 26.649 1.00 0.00 H ATOM 1314 HG2 ARG A 97 2.993 -10.308 29.093 1.00 0.00 H ATOM 1315 HG3 ARG A 97 4.117 -11.355 28.194 1.00 0.00 H ATOM 1316 HD2 ARG A 97 6.014 -9.995 28.940 1.00 0.00 H ATOM 1317 HD3 ARG A 97 5.084 -10.597 30.332 1.00 0.00 H ATOM 1318 HE ARG A 97 3.947 -8.143 29.889 1.00 0.00 H ATOM 1319 HH12 ARG A 97 7.849 -7.642 30.979 1.00 0.00 H ATOM 1320 HH11 ARG A 97 7.341 -9.215 30.264 1.00 0.00 H ATOM 1321 HH22 ARG A 97 6.313 -5.963 31.264 1.00 0.00 H ATOM 1322 HH21 ARG A 97 4.597 -6.212 30.776 1.00 0.00 H ATOM 1323 H ARG A 97 3.816 -8.287 24.947 1.00 0.00 H ATOM 1324 N LYS A 98 5.275 -11.299 25.154 1.00 11.99 N ATOM 1325 CA LYS A 98 5.893 -12.569 24.750 1.00 12.28 C ATOM 1326 C LYS A 98 7.359 -12.363 24.334 1.00 11.74 C ATOM 1327 O LYS A 98 8.244 -13.147 24.703 1.00 11.37 O ATOM 1328 CB LYS A 98 5.080 -13.225 23.627 1.00 12.68 C ATOM 1329 CG LYS A 98 5.650 -14.540 23.133 1.00 15.51 C ATOM 1330 CD LYS A 98 4.811 -15.082 21.998 1.00 19.30 C ATOM 1331 CE LYS A 98 5.401 -16.373 21.463 1.00 21.44 C ATOM 1332 NZ LYS A 98 4.641 -16.822 20.271 1.00 23.87 N ATOM 1333 HA LYS A 98 5.890 -13.242 25.608 1.00 0.00 H ATOM 1334 HB2 LYS A 98 4.071 -13.407 23.997 1.00 0.00 H ATOM 1335 HB3 LYS A 98 5.038 -12.533 22.786 1.00 0.00 H ATOM 1336 HG2 LYS A 98 6.670 -14.381 22.783 1.00 0.00 H ATOM 1337 HG3 LYS A 98 5.656 -15.260 23.952 1.00 0.00 H ATOM 1338 HD2 LYS A 98 3.801 -15.273 22.359 1.00 0.00 H ATOM 1339 HD3 LYS A 98 4.775 -14.345 21.196 1.00 0.00 H ATOM 1340 HE2 LYS A 98 5.349 -17.141 22.235 1.00 0.00 H ATOM 1341 HE3 LYS A 98 6.442 -16.207 21.186 1.00 0.00 H ATOM 1342 HZ1 LYS A 98 3.648 -16.982 20.535 1.00 0.00 H ATOM 1343 HZ2 LYS A 98 4.691 -16.090 19.533 1.00 0.00 H ATOM 1344 HZ3 LYS A 98 5.053 -17.707 19.912 1.00 0.00 H ATOM 1345 H LYS A 98 4.443 -10.952 24.636 1.00 0.00 H ATOM 1346 N ILE A 99 7.622 -11.286 23.598 1.00 11.18 N ATOM 1347 CA ILE A 99 8.998 -10.956 23.207 1.00 11.08 C ATOM 1348 C ILE A 99 9.913 -10.683 24.411 1.00 11.23 C ATOM 1349 O ILE A 99 11.006 -11.266 24.511 1.00 10.99 O ATOM 1350 CB ILE A 99 9.043 -9.807 22.165 1.00 11.05 C ATOM 1351 CG1 ILE A 99 8.452 -10.301 20.845 1.00 11.80 C ATOM 1352 CG2 ILE A 99 10.497 -9.322 21.955 1.00 10.58 C ATOM 1353 CD1 ILE A 99 8.012 -9.188 19.864 1.00 13.14 C ATOM 1354 HA ILE A 99 9.399 -11.846 22.722 1.00 0.00 H ATOM 1355 HB ILE A 99 8.455 -8.966 22.533 1.00 0.00 H ATOM 1356 HG12 ILE A 99 9.204 -10.913 20.346 1.00 0.00 H ATOM 1357 HG13 ILE A 99 7.580 -10.914 21.074 1.00 0.00 H ATOM 1358 HD11 ILE A 99 7.247 -8.571 20.336 1.00 0.00 H ATOM 1359 HD12 ILE A 99 8.873 -8.570 19.608 1.00 0.00 H ATOM 1360 HD13 ILE A 99 7.607 -9.642 18.959 1.00 0.00 H ATOM 1361 HG21 ILE A 99 10.898 -8.958 22.901 1.00 0.00 H ATOM 1362 HG22 ILE A 99 11.107 -10.151 21.595 1.00 0.00 H ATOM 1363 HG23 ILE A 99 10.507 -8.516 21.221 1.00 0.00 H ATOM 1364 H ILE A 99 6.841 -10.669 23.295 1.00 0.00 H ATOM 1365 N TYR A 100 9.468 -9.829 25.335 1.00 11.33 N ATOM 1366 CA TYR A 100 10.230 -9.587 26.582 1.00 11.41 C ATOM 1367 C TYR A 100 10.546 -10.876 27.351 1.00 12.20 C ATOM 1368 O TYR A 100 11.672 -11.070 27.846 1.00 11.70 O ATOM 1369 CB TYR A 100 9.488 -8.592 27.479 1.00 11.57 C ATOM 1370 CG TYR A 100 9.892 -7.159 27.225 1.00 11.52 C ATOM 1371 CD1 TYR A 100 9.705 -6.577 25.971 1.00 12.79 C ATOM 1372 CD2 TYR A 100 10.471 -6.388 28.236 1.00 12.83 C ATOM 1373 CE1 TYR A 100 10.091 -5.264 25.719 1.00 13.41 C ATOM 1374 CE2 TYR A 100 10.852 -5.062 28.003 1.00 13.05 C ATOM 1375 CZ TYR A 100 10.660 -4.512 26.744 1.00 14.57 C ATOM 1376 OH TYR A 100 11.033 -3.211 26.499 1.00 15.72 O ATOM 1377 HA TYR A 100 11.188 -9.159 26.286 1.00 0.00 H ATOM 1378 HB3 TYR A 100 9.702 -8.835 28.520 1.00 0.00 H ATOM 1379 HB2 TYR A 100 8.418 -8.690 27.297 1.00 0.00 H ATOM 1380 HD2 TYR A 100 10.628 -6.826 29.222 1.00 0.00 H ATOM 1381 HE2 TYR A 100 11.295 -4.468 28.802 1.00 0.00 H ATOM 1382 HE1 TYR A 100 9.950 -4.829 24.730 1.00 0.00 H ATOM 1383 HD1 TYR A 100 9.248 -7.162 25.173 1.00 0.00 H ATOM 1384 HH TYR A 100 10.827 -2.981 25.558 1.00 0.00 H ATOM 1385 H TYR A 100 8.572 -9.325 25.177 1.00 0.00 H ATOM 1386 N THR A 101 9.549 -11.752 27.425 1.00 12.49 N ATOM 1387 CA THR A 101 9.668 -13.058 28.068 1.00 13.19 C ATOM 1388 C THR A 101 10.801 -13.884 27.452 1.00 13.77 C ATOM 1389 O THR A 101 11.615 -14.448 28.175 1.00 13.83 O ATOM 1390 CB THR A 101 8.314 -13.806 28.041 1.00 13.22 C ATOM 1391 OG1 THR A 101 7.352 -13.058 28.795 1.00 14.00 O ATOM 1392 CG2 THR A 101 8.419 -15.213 28.639 1.00 13.21 C ATOM 1393 HA THR A 101 9.932 -12.902 29.114 1.00 0.00 H ATOM 1394 HB THR A 101 8.010 -13.903 26.999 1.00 0.00 H ATOM 1395 HG1 THR A 101 6.483 -13.532 28.781 1.00 0.00 H ATOM 1396 HG23 THR A 101 9.149 -15.793 28.074 1.00 0.00 H ATOM 1397 HG21 THR A 101 8.737 -15.142 29.679 1.00 0.00 H ATOM 1398 HG22 THR A 101 7.446 -15.702 28.588 1.00 0.00 H ATOM 1399 H THR A 101 8.635 -11.493 27.002 1.00 0.00 H ATOM 1400 N MET A 102 10.872 -13.921 26.124 1.00 13.58 N ATOM 1401 CA MET A 102 11.941 -14.642 25.425 1.00 13.97 C ATOM 1402 C MET A 102 13.325 -14.018 25.624 1.00 14.23 C ATOM 1403 O MET A 102 14.322 -14.736 25.723 1.00 14.47 O ATOM 1404 CB MET A 102 11.615 -14.773 23.932 1.00 14.22 C ATOM 1405 CG MET A 102 10.418 -15.657 23.664 1.00 13.95 C ATOM 1406 SD MET A 102 9.980 -15.881 21.918 1.00 15.54 S ATOM 1407 CE MET A 102 9.464 -14.229 21.442 1.00 16.03 C ATOM 1408 HA MET A 102 11.987 -15.635 25.873 1.00 0.00 H ATOM 1409 HB2 MET A 102 11.410 -13.780 23.532 1.00 0.00 H ATOM 1410 HB3 MET A 102 12.481 -15.196 23.423 1.00 0.00 H ATOM 1411 HG2 MET A 102 9.558 -15.220 24.172 1.00 0.00 H ATOM 1412 HG3 MET A 102 10.626 -16.640 24.086 1.00 0.00 H ATOM 1413 HE1 MET A 102 8.618 -13.922 22.058 1.00 0.00 H ATOM 1414 HE2 MET A 102 10.292 -13.535 21.588 1.00 0.00 H ATOM 1415 HE3 MET A 102 9.170 -14.230 20.392 1.00 0.00 H ATOM 1416 H MET A 102 10.149 -13.424 25.566 1.00 0.00 H ATOM 1417 N ILE A 103 13.376 -12.690 25.710 1.00 14.14 N ATOM 1418 CA ILE A 103 14.633 -11.977 25.887 1.00 14.94 C ATOM 1419 C ILE A 103 15.233 -12.194 27.293 1.00 15.09 C ATOM 1420 O ILE A 103 16.446 -12.390 27.431 1.00 14.79 O ATOM 1421 CB ILE A 103 14.482 -10.458 25.584 1.00 14.82 C ATOM 1422 CG1 ILE A 103 14.069 -10.239 24.126 1.00 15.37 C ATOM 1423 CG2 ILE A 103 15.788 -9.720 25.858 1.00 15.84 C ATOM 1424 CD1 ILE A 103 13.614 -8.831 23.824 1.00 15.23 C ATOM 1425 HA ILE A 103 15.330 -12.398 25.163 1.00 0.00 H ATOM 1426 HB ILE A 103 13.706 -10.062 26.240 1.00 0.00 H ATOM 1427 HG12 ILE A 103 14.923 -10.468 23.489 1.00 0.00 H ATOM 1428 HG13 ILE A 103 13.251 -10.921 23.894 1.00 0.00 H ATOM 1429 HD11 ILE A 103 12.751 -8.588 24.444 1.00 0.00 H ATOM 1430 HD12 ILE A 103 14.425 -8.135 24.039 1.00 0.00 H ATOM 1431 HD13 ILE A 103 13.339 -8.757 22.772 1.00 0.00 H ATOM 1432 HG21 ILE A 103 16.062 -9.845 26.906 1.00 0.00 H ATOM 1433 HG22 ILE A 103 16.575 -10.129 25.224 1.00 0.00 H ATOM 1434 HG23 ILE A 103 15.658 -8.660 25.639 1.00 0.00 H ATOM 1435 H ILE A 103 12.492 -12.146 25.649 1.00 0.00 H ATOM 1436 N TYR A 104 14.393 -12.176 28.327 1.00 15.37 N ATOM 1437 CA TYR A 104 14.882 -12.223 29.712 1.00 16.03 C ATOM 1438 C TYR A 104 15.806 -13.404 30.049 1.00 16.98 C ATOM 1439 O TYR A 104 16.714 -13.249 30.870 1.00 16.92 O ATOM 1440 CB TYR A 104 13.732 -12.142 30.722 1.00 15.98 C ATOM 1441 CG TYR A 104 13.176 -10.743 30.923 1.00 14.97 C ATOM 1442 CD1 TYR A 104 14.014 -9.675 31.242 1.00 15.75 C ATOM 1443 CD2 TYR A 104 11.809 -10.496 30.822 1.00 14.04 C ATOM 1444 CE1 TYR A 104 13.504 -8.384 31.430 1.00 14.98 C ATOM 1445 CE2 TYR A 104 11.285 -9.218 31.019 1.00 13.93 C ATOM 1446 CZ TYR A 104 12.137 -8.168 31.319 1.00 15.52 C ATOM 1447 OH TYR A 104 11.624 -6.899 31.516 1.00 15.46 O ATOM 1448 HA TYR A 104 15.508 -11.335 29.795 1.00 0.00 H ATOM 1449 HB3 TYR A 104 14.094 -12.507 31.683 1.00 0.00 H ATOM 1450 HB2 TYR A 104 12.924 -12.784 30.372 1.00 0.00 H ATOM 1451 HD2 TYR A 104 11.134 -11.318 30.584 1.00 0.00 H ATOM 1452 HE2 TYR A 104 10.212 -9.047 30.937 1.00 0.00 H ATOM 1453 HE1 TYR A 104 14.174 -7.556 31.661 1.00 0.00 H ATOM 1454 HD1 TYR A 104 15.085 -9.848 31.347 1.00 0.00 H ATOM 1455 HH TYR A 104 10.987 -6.916 32.273 1.00 0.00 H ATOM 1456 H TYR A 104 13.369 -12.128 28.150 1.00 0.00 H ATOM 1457 N ARG A 105 15.567 -14.556 29.415 1.00 17.96 N ATOM 1458 CA ARG A 105 16.472 -15.725 29.446 1.00 20.14 C ATOM 1459 C ARG A 105 17.927 -15.344 29.182 1.00 20.05 C ATOM 1460 O ARG A 105 18.860 -15.991 29.677 1.00 20.40 O ATOM 1461 CB ARG A 105 16.096 -16.735 28.344 1.00 20.37 C ATOM 1462 CG ARG A 105 15.296 -17.942 28.781 1.00 23.29 C ATOM 1463 CD ARG A 105 15.757 -19.244 28.099 1.00 26.80 C ATOM 1464 NE ARG A 105 15.855 -19.176 26.634 1.00 28.96 N ATOM 1465 CZ ARG A 105 15.745 -20.227 25.819 1.00 30.13 C ATOM 1466 NH1 ARG A 105 15.510 -21.439 26.306 1.00 32.07 N ATOM 1467 NH2 ARG A 105 15.854 -20.070 24.507 1.00 30.07 N ATOM 1468 HA ARG A 105 16.366 -16.148 30.445 1.00 0.00 H ATOM 1469 HB2 ARG A 105 15.511 -16.204 27.593 1.00 0.00 H ATOM 1470 HB3 ARG A 105 17.021 -17.095 27.895 1.00 0.00 H ATOM 1471 HG2 ARG A 105 15.401 -18.058 29.860 1.00 0.00 H ATOM 1472 HG3 ARG A 105 14.248 -17.773 28.536 1.00 0.00 H ATOM 1473 HD2 ARG A 105 15.046 -20.030 28.355 1.00 0.00 H ATOM 1474 HD3 ARG A 105 16.740 -19.503 28.492 1.00 0.00 H ATOM 1475 HE ARG A 105 16.022 -18.244 26.203 1.00 0.00 H ATOM 1476 HH12 ARG A 105 15.426 -22.251 25.662 1.00 0.00 H ATOM 1477 HH11 ARG A 105 15.410 -21.577 27.332 1.00 0.00 H ATOM 1478 HH22 ARG A 105 15.768 -20.892 23.876 1.00 0.00 H ATOM 1479 HH21 ARG A 105 16.026 -19.125 24.109 1.00 0.00 H ATOM 1480 H ARG A 105 14.688 -14.635 28.865 1.00 0.00 H ATOM 1481 N ASN A 106 18.103 -14.299 28.381 1.00 19.90 N ATOM 1482 CA ASN A 106 19.390 -13.994 27.763 1.00 20.00 C ATOM 1483 C ASN A 106 20.152 -12.820 28.365 1.00 20.05 C ATOM 1484 O ASN A 106 21.123 -12.329 27.778 1.00 19.68 O ATOM 1485 CB ASN A 106 19.165 -13.765 26.272 1.00 19.90 C ATOM 1486 CG ASN A 106 18.704 -15.011 25.572 1.00 19.97 C ATOM 1487 OD1 ASN A 106 19.506 -15.891 25.291 1.00 19.83 O ATOM 1488 ND2 ASN A 106 17.403 -15.103 25.295 1.00 19.21 N ATOM 1489 HA ASN A 106 20.030 -14.855 27.956 1.00 0.00 H ATOM 1490 HB2 ASN A 106 18.409 -12.990 26.145 1.00 0.00 H ATOM 1491 HB3 ASN A 106 20.101 -13.434 25.822 1.00 0.00 H ATOM 1492 HD22 ASN A 106 16.760 -14.328 25.554 1.00 0.00 H ATOM 1493 HD21 ASN A 106 17.031 -15.950 24.820 1.00 0.00 H ATOM 1494 H ASN A 106 17.294 -13.675 28.187 1.00 0.00 H ATOM 1495 N LEU A 107 19.723 -12.375 29.538 1.00 20.46 N ATOM 1496 CA LEU A 107 20.374 -11.238 30.183 1.00 21.07 C ATOM 1497 C LEU A 107 20.287 -11.266 31.698 1.00 21.78 C ATOM 1498 O LEU A 107 19.527 -12.042 32.282 1.00 21.85 O ATOM 1499 CB LEU A 107 19.832 -9.912 29.623 1.00 21.23 C ATOM 1500 CG LEU A 107 18.318 -9.741 29.518 1.00 20.42 C ATOM 1501 CD1 LEU A 107 17.732 -9.416 30.875 1.00 20.89 C ATOM 1502 CD2 LEU A 107 18.010 -8.648 28.530 1.00 20.73 C ATOM 1503 HA LEU A 107 21.435 -11.319 29.944 1.00 0.00 H ATOM 1504 HB2 LEU A 107 20.205 -9.113 30.264 1.00 0.00 H ATOM 1505 HB3 LEU A 107 20.242 -9.792 28.620 1.00 0.00 H ATOM 1506 HG LEU A 107 17.869 -10.672 29.171 1.00 0.00 H ATOM 1507 HD21 LEU A 107 18.461 -7.716 28.869 1.00 0.00 H ATOM 1508 HD22 LEU A 107 18.417 -8.916 27.555 1.00 0.00 H ATOM 1509 HD23 LEU A 107 16.930 -8.524 28.453 1.00 0.00 H ATOM 1510 HD11 LEU A 107 17.952 -10.228 31.568 1.00 0.00 H ATOM 1511 HD12 LEU A 107 18.171 -8.490 31.247 1.00 0.00 H ATOM 1512 HD13 LEU A 107 16.652 -9.297 30.784 1.00 0.00 H ATOM 1513 H LEU A 107 18.917 -12.839 30.002 1.00 0.00 H ATOM 1514 N VAL A 108 21.090 -10.412 32.322 1.00 22.64 N ATOM 1515 CA VAL A 108 21.132 -10.271 33.766 1.00 23.41 C ATOM 1516 C VAL A 108 20.805 -8.821 34.093 1.00 23.71 C ATOM 1517 O VAL A 108 21.367 -7.907 33.501 1.00 23.53 O ATOM 1518 CB VAL A 108 22.531 -10.681 34.321 1.00 23.38 C ATOM 1519 CG1 VAL A 108 22.719 -10.226 35.758 1.00 23.81 C ATOM 1520 CG2 VAL A 108 22.714 -12.183 34.210 1.00 23.86 C ATOM 1521 HA VAL A 108 20.405 -10.931 34.238 1.00 0.00 H ATOM 1522 HB VAL A 108 23.291 -10.183 33.719 1.00 0.00 H ATOM 1523 HG11 VAL A 108 22.633 -9.141 35.808 1.00 0.00 H ATOM 1524 HG12 VAL A 108 21.953 -10.682 36.385 1.00 0.00 H ATOM 1525 HG13 VAL A 108 23.705 -10.530 36.108 1.00 0.00 H ATOM 1526 HG21 VAL A 108 21.938 -12.686 34.786 1.00 0.00 H ATOM 1527 HG22 VAL A 108 22.642 -12.480 33.164 1.00 0.00 H ATOM 1528 HG23 VAL A 108 23.694 -12.458 34.600 1.00 0.00 H ATOM 1529 H VAL A 108 21.719 -9.815 31.748 1.00 0.00 H ATOM 1530 N VAL A 109 19.866 -8.616 35.012 1.00 24.34 N ATOM 1531 CA VAL A 109 19.522 -7.269 35.453 1.00 25.04 C ATOM 1532 C VAL A 109 20.642 -6.731 36.347 1.00 25.70 C ATOM 1533 O VAL A 109 21.174 -7.457 37.191 1.00 25.68 O ATOM 1534 CB VAL A 109 18.148 -7.240 36.160 1.00 24.96 C ATOM 1535 CG1 VAL A 109 17.844 -5.870 36.727 1.00 25.56 C ATOM 1536 CG2 VAL A 109 17.061 -7.630 35.179 1.00 24.68 C ATOM 1537 HA VAL A 109 19.430 -6.618 34.584 1.00 0.00 H ATOM 1538 HB VAL A 109 18.181 -7.951 36.985 1.00 0.00 H ATOM 1539 HG11 VAL A 109 18.611 -5.600 37.452 1.00 0.00 H ATOM 1540 HG12 VAL A 109 17.832 -5.138 35.919 1.00 0.00 H ATOM 1541 HG13 VAL A 109 16.870 -5.889 37.216 1.00 0.00 H ATOM 1542 HG21 VAL A 109 17.055 -6.926 34.347 1.00 0.00 H ATOM 1543 HG22 VAL A 109 17.255 -8.635 34.805 1.00 0.00 H ATOM 1544 HG23 VAL A 109 16.094 -7.608 35.682 1.00 0.00 H ATOM 1545 H VAL A 109 19.368 -9.431 35.424 1.00 0.00 H ATOM 1546 N VAL A 110 21.003 -5.468 36.125 1.00 26.43 N ATOM 1547 CA VAL A 110 22.032 -4.774 36.898 1.00 27.03 C ATOM 1548 C VAL A 110 21.492 -4.408 38.277 1.00 27.26 C ATOM 1549 O VAL A 110 20.347 -3.970 38.404 1.00 27.54 O ATOM 1550 CB VAL A 110 22.522 -3.498 36.163 1.00 27.21 C ATOM 1551 CG1 VAL A 110 23.194 -2.508 37.136 1.00 27.43 C ATOM 1552 CG2 VAL A 110 23.468 -3.865 35.034 1.00 27.15 C ATOM 1553 HA VAL A 110 22.882 -5.447 37.011 1.00 0.00 H ATOM 1554 HB VAL A 110 21.649 -3.002 35.739 1.00 0.00 H ATOM 1555 HG11 VAL A 110 22.478 -2.212 37.903 1.00 0.00 H ATOM 1556 HG12 VAL A 110 24.053 -2.988 37.605 1.00 0.00 H ATOM 1557 HG13 VAL A 110 23.524 -1.627 36.586 1.00 0.00 H ATOM 1558 HG21 VAL A 110 24.330 -4.393 35.441 1.00 0.00 H ATOM 1559 HG22 VAL A 110 22.950 -4.508 34.322 1.00 0.00 H ATOM 1560 HG23 VAL A 110 23.801 -2.957 34.531 1.00 0.00 H ATOM 1561 H VAL A 110 20.527 -4.948 35.361 1.00 0.00 H TER 1562 VAL A 110 HETATM 1563 O HOH 1 4.707 -14.155 28.415 1.00 16.56 O HETATM 1564 O HOH 2 30.555 -11.418 27.057 1.00 17.74 O HETATM 1565 O HOH 3 13.159 -5.900 33.786 1.00 17.23 O HETATM 1566 O HOH 4 5.767 -3.754 12.480 1.00 18.06 O HETATM 1567 O HOH 5 4.753 -1.687 11.455 1.00 18.08 O HETATM 1568 O HOH 6 12.034 -14.634 6.573 1.00 18.53 O HETATM 1569 O HOH 7 11.115 -19.965 24.421 1.00 19.82 O HETATM 1570 O HOH 8 2.080 -7.669 30.592 1.00 20.02 O HETATM 1571 O HOH 9 1.964 -7.529 25.046 1.00 19.79 O HETATM 1572 O HOH 10 2.452 -10.945 24.245 1.00 20.90 O HETATM 1573 O HOH 11 17.123 3.713 26.529 1.00 20.67 O HETATM 1574 O HOH 12 10.449 -1.911 24.217 1.00 20.39 O HETATM 1575 O HOH 13 22.617 -17.199 12.825 1.00 21.89 O HETATM 1576 O HOH 14 5.816 -5.813 10.670 1.00 22.24 O HETATM 1577 O HOH 15 24.921 -16.646 26.430 1.00 21.94 O HETATM 1578 O HOH 16 13.335 1.520 35.534 1.00 22.93 O HETATM 1579 O HOH 17 14.133 -25.689 12.541 1.00 23.41 O HETATM 1580 O HOH 18 29.998 -11.944 24.058 1.00 24.11 O HETATM 1581 O HOH 19 4.483 -4.019 17.442 1.00 24.21 O HETATM 1582 O HOH 20 27.099 -7.621 28.818 1.00 24.90 O HETATM 1583 O HOH 21 25.394 -10.944 31.748 1.00 25.63 O HETATM 1584 O HOH 22 32.177 -13.267 28.222 1.00 25.55 O HETATM 1585 O HOH 23 10.483 -13.855 3.290 1.00 25.95 O HETATM 1586 O HOH 24 0.115 -11.004 15.800 1.00 25.95 O HETATM 1587 O HOH 25 4.517 -16.818 14.631 1.00 25.72 O HETATM 1588 O HOH 26 13.278 0.697 18.826 1.00 26.14 O HETATM 1589 O HOH 27 13.817 -17.400 25.716 1.00 25.74 O HETATM 1590 O HOH 28 5.344 2.272 35.450 1.00 25.88 O HETATM 1591 O HOH 29 13.392 0.333 21.547 1.00 26.44 O HETATM 1592 O HOH 30 17.634 -0.189 36.050 1.00 27.74 O HETATM 1593 O HOH 31 19.397 -13.697 6.903 1.00 27.10 O HETATM 1594 O HOH 32 18.319 -10.919 35.833 1.00 26.76 O HETATM 1595 O HOH 33 22.612 -14.811 25.508 1.00 27.25 O HETATM 1596 O HOH 34 16.594 -11.937 33.589 1.00 27.48 O HETATM 1597 O HOH 35 4.170 -14.638 18.658 1.00 27.85 O HETATM 1598 O HOH 36 17.404 3.604 32.584 1.00 28.50 O HETATM 1599 O HOH 37 12.805 -2.259 36.049 1.00 28.24 O HETATM 1600 O HOH 38 2.804 -8.168 5.441 1.00 28.33 O HETATM 1601 O HOH 39 1.402 -13.540 23.020 1.00 29.40 O HETATM 1602 O HOH 40 19.084 -14.709 33.291 1.00 29.07 O HETATM 1603 O HOH 41 5.753 -12.340 20.163 1.00 29.57 O HETATM 1604 O HOH 42 13.076 -15.508 29.810 1.00 30.22 O HETATM 1605 O HOH 43 28.152 -11.078 28.246 1.00 30.27 O HETATM 1606 O HOH 44 17.250 -22.655 22.009 1.00 30.95 O HETATM 1607 O HOH 45 14.108 -5.062 5.771 1.00 29.96 O HETATM 1608 O HOH 46 32.409 -15.409 26.575 1.00 31.34 O HETATM 1609 O HOH 47 29.708 -9.441 17.913 1.00 31.09 O HETATM 1610 O HOH 48 11.808 -11.068 4.064 1.00 31.07 O HETATM 1611 O HOH 49 9.525 -22.225 23.741 1.00 31.31 O HETATM 1612 O HOH 50 10.391 -15.977 5.074 1.00 30.88 O HETATM 1613 O HOH 51 19.508 -18.473 25.696 1.00 31.69 O HETATM 1614 O HOH 52 16.185 -13.986 5.156 1.00 32.56 O HETATM 1615 O HOH 53 3.705 -3.857 14.871 1.00 31.44 O HETATM 1616 O HOH 54 6.230 -18.522 19.060 1.00 32.67 O HETATM 1617 O HOH 55 3.890 -4.943 8.796 1.00 32.04 O HETATM 1618 O HOH 56 2.864 -5.345 31.209 1.00 32.47 O HETATM 1619 O HOH 57 7.256 -16.393 2.624 1.00 32.43 O HETATM 1620 O HOH 58 6.764 -1.946 24.250 1.00 32.70 O HETATM 1621 O HOH 59 23.950 -13.816 13.945 1.00 32.69 O HETATM 1622 O HOH 60 28.143 -7.561 11.618 1.00 32.84 O HETATM 1623 O HOH 61 1.404 -3.247 30.424 1.00 32.29 O HETATM 1624 O HOH 62 15.716 -0.835 14.971 1.00 34.30 O HETATM 1625 O HOH 63 4.093 -16.578 4.572 1.00 33.61 O HETATM 1626 O HOH 64 15.992 -23.505 15.027 1.00 34.28 O HETATM 1627 O HOH 65 6.628 -0.035 20.114 1.00 33.55 O HETATM 1628 O HOH 66 30.210 -9.625 22.465 1.00 34.30 O HETATM 1629 O HOH 67 10.180 5.811 31.303 1.00 34.33 O HETATM 1630 O HOH 68 11.030 -14.154 0.707 1.00 34.45 O HETATM 1631 O HOH 69 25.566 1.029 21.842 1.00 35.21 O HETATM 1632 O HOH 70 29.217 -0.742 29.469 1.00 35.62 O HETATM 1633 O HOH 71 25.353 1.655 17.344 1.00 35.71 O HETATM 1634 O HOH 72 7.000 2.676 38.450 1.00 35.91 O HETATM 1635 O HOH 73 22.650 -0.357 14.127 1.00 35.98 O HETATM 1636 O HOH 74 29.800 -3.254 17.512 1.00 36.15 O HETATM 1637 O HOH 75 4.011 3.223 31.585 1.00 36.06 O HETATM 1638 O HOH 76 16.519 -3.314 38.267 1.00 36.20 O HETATM 1639 O HOH 77 1.464 -6.123 27.346 1.00 38.72 O HETATM 1640 O HOH 78 25.474 -12.159 15.310 1.00 37.22 O HETATM 1641 O HOH 79 -1.542 -3.427 21.016 1.00 39.10 O HETATM 1642 O HOH 80 3.463 -16.643 17.063 1.00 38.80 O HETATM 1643 O HOH 81 23.464 1.769 15.317 1.00 38.91 O HETATM 1644 O HOH 82 2.826 -0.808 22.642 1.00 40.19 O HETATM 1645 O HOH 83 5.157 -1.516 18.152 1.00 40.09 O HETATM 1646 O HOH 84 7.633 -4.078 2.268 1.00 40.36 O HETATM 1647 O HOH 85 11.819 -6.802 2.141 1.00 39.98 O HETATM 1648 O HOH 86 21.918 -21.137 14.344 1.00 42.99 O HETATM 1649 O HOH 87 18.559 -7.877 1.733 1.00 41.26 O HETATM 1650 O HOH 88 0.537 -1.734 20.700 1.00 43.00 O HETATM 1651 O HOH 89 22.491 -3.625 10.549 1.00 41.27 O HETATM 1652 O HOH 90 26.602 -2.085 11.881 1.00 41.90 O HETATM 1653 O HOH 91 12.878 -24.110 23.085 1.00 44.53 O HETATM 1654 O HOH 92 5.918 -21.049 15.243 1.00 43.65 O HETATM 1655 O HOH 93 12.906 -20.909 10.344 1.00 44.46 O HETATM 1656 O HOH 94 24.500 -18.201 28.837 1.00 44.60 O HETATM 1657 O HOH 95 0.394 -16.533 4.519 1.00 46.53 O HETATM 1658 O HOH 96 14.749 -6.659 -1.952 1.00 44.60 O HETATM 1659 O HOH 97 28.993 -18.134 25.106 1.00 45.04 O HETATM 1660 O HOH 98 -1.735 -9.345 13.194 1.00 45.10 O HETATM 1661 O HOH 99 4.577 -3.481 2.579 1.00 47.85 O HETATM 1662 O HOH 100 22.387 2.326 28.531 1.00 47.15 O HETATM 1663 O HOH 101 26.235 -15.002 19.644 1.00 46.33 O HETATM 1664 O HOH 102 29.810 -16.438 23.211 1.00 54.15 O HETATM 1665 CL1 BLF A 103 12.709 -9.075 18.887 1.00 -0.08 CL HETATM 1666 C2 BLF A 103 12.052 -7.631 18.151 1.00 0.03 C HETATM 1667 C3 BLF A 103 12.734 -6.423 18.316 1.00 -0.03 C HETATM 1668 C5 BLF A 103 12.161 -5.301 17.707 1.00 0.07 C HETATM 1669 N6 BLF A 103 12.587 -4.029 17.710 1.00 -0.26 N HETATM 1670 C8 BLF A 103 11.780 -3.244 17.024 1.00 0.15 C HETATM 1671 C9 BLF A 103 10.762 -3.976 16.505 1.00 0.04 C HETATM 1672 C10 BLF A 103 10.996 -5.389 16.974 1.00 -0.00 C HETATM 1673 C11 BLF A 103 10.307 -6.585 16.798 1.00 -0.07 C HETATM 1674 C13 BLF A 103 10.865 -7.718 17.400 1.00 -0.06 C HETATM 1675 H4 BLF A 103 10.375 -8.678 17.286 1.00 0.05 H HETATM 1676 H3 BLF A 103 9.388 -6.636 16.226 1.00 0.06 H HETATM 1677 C15 BLF A 103 9.542 -3.691 15.706 1.00 0.09 C HETATM 1678 N16 BLF A 103 8.499 -3.008 16.185 1.00 -0.23 N HETATM 1679 C17 BLF A 103 7.543 -2.944 15.296 1.00 0.10 C HETATM 1680 N19 BLF A 103 7.892 -3.582 14.270 1.00 -0.32 N HETATM 1681 C20 BLF A 103 9.209 -4.125 14.463 1.00 0.03 C HETATM 1682 C21 BLF A 103 9.910 -4.932 13.398 1.00 -0.03 C HETATM 1683 C22 BLF A 103 11.307 -4.921 13.350 1.00 -0.06 C HETATM 1684 C24 BLF A 103 11.986 -5.643 12.355 1.00 -0.07 C HETATM 1685 C26 BLF A 103 11.253 -6.372 11.408 1.00 -0.07 C HETATM 1686 C28 BLF A 103 9.857 -6.380 11.443 1.00 -0.07 C HETATM 1687 C30 BLF A 103 9.184 -5.652 12.433 1.00 -0.06 C HETATM 1688 H10 BLF A 103 8.100 -5.644 12.455 1.00 0.06 H HETATM 1689 H9 BLF A 103 9.297 -6.947 10.708 1.00 0.06 H HETATM 1690 H8 BLF A 103 11.774 -6.934 10.642 1.00 0.06 H HETATM 1691 H7 BLF A 103 13.069 -5.637 12.319 1.00 0.06 H HETATM 1692 H6 BLF A 103 11.868 -4.353 14.083 1.00 0.06 H HETATM 1693 H5 BLF A 103 6.596 -2.422 15.423 1.00 0.12 H HETATM 1694 C32 BLF A 103 8.402 -2.350 17.482 1.00 0.09 C HETATM 1695 C35 BLF A 103 8.487 -3.321 18.660 1.00 -0.01 C HETATM 1696 C36 BLF A 103 7.889 -4.591 18.615 1.00 -0.06 C HETATM 1697 C38 BLF A 103 7.981 -5.448 19.721 1.00 -0.05 C HETATM 1698 C40 BLF A 103 8.663 -5.023 20.869 1.00 0.03 C HETATM 1699 CL2 BLF A 103 8.767 -6.091 22.256 1.00 -0.08 CL HETATM 1700 C41 BLF A 103 9.260 -3.752 20.916 1.00 -0.05 C HETATM 1701 C43 BLF A 103 9.177 -2.898 19.804 1.00 -0.06 C HETATM 1702 H16 BLF A 103 9.643 -1.920 19.831 1.00 0.06 H HETATM 1703 H15 BLF A 103 9.784 -3.431 21.809 1.00 0.06 H HETATM 1704 H14 BLF A 103 7.528 -6.432 19.688 1.00 0.06 H HETATM 1705 H13 BLF A 103 7.357 -4.909 17.726 1.00 0.06 H HETATM 1706 H11 BLF A 103 7.439 -1.821 17.534 1.00 0.08 H HETATM 1707 H12 BLF A 103 9.224 -1.624 17.568 1.00 0.08 H HETATM 1708 C46 BLF A 103 12.035 -1.803 16.854 1.00 0.23 C HETATM 1709 O47 BLF A 103 12.980 -1.350 17.492 1.00 -0.39 O HETATM 1710 N48 BLF A 103 11.297 -1.057 16.005 1.00 -0.28 N HETATM 1711 C50 BLF A 103 11.574 0.365 15.821 1.00 0.07 C HETATM 1712 C53 BLF A 103 11.442 0.706 14.317 1.00 -0.01 C HETATM 1713 N56 BLF A 103 10.094 0.322 13.820 1.00 0.24 N HETATM 1714 C57 BLF A 103 10.024 0.068 12.359 1.00 -0.01 C HETATM 1715 C60 BLF A 103 8.637 -0.513 11.994 1.00 0.09 C HETATM 1716 O63 BLF A 103 7.589 0.342 12.485 1.00 -0.37 O HETATM 1717 C64 BLF A 103 7.624 0.530 13.914 1.00 0.09 C HETATM 1718 C67 BLF A 103 8.977 1.174 14.309 1.00 -0.01 C HETATM 1719 H29 BLF A 103 9.053 2.174 13.856 1.00 0.08 H HETATM 1720 H30 BLF A 103 9.035 1.262 15.404 1.00 0.08 H HETATM 1721 H27 BLF A 103 7.519 -0.443 14.416 1.00 0.06 H HETATM 1722 H28 BLF A 103 6.799 1.191 14.219 1.00 0.06 H HETATM 1723 H25 BLF A 103 8.532 -1.511 12.445 1.00 0.06 H HETATM 1724 H26 BLF A 103 8.555 -0.595 10.900 1.00 0.06 H HETATM 1725 H23 BLF A 103 10.807 -0.651 12.075 1.00 0.08 H HETATM 1726 H24 BLF A 103 10.179 1.012 11.816 1.00 0.08 H HETATM 1727 H22 BLF A 103 9.925 -0.578 14.241 1.00 0.20 H HETATM 1728 H20 BLF A 103 12.208 0.156 13.751 1.00 0.08 H HETATM 1729 H21 BLF A 103 11.587 1.787 14.175 1.00 0.08 H HETATM 1730 H18 BLF A 103 12.595 0.591 16.163 1.00 0.06 H HETATM 1731 H19 BLF A 103 10.853 0.961 16.400 1.00 0.06 H HETATM 1732 H17 BLF A 103 10.550 -1.484 15.495 1.00 0.18 H HETATM 1733 H2 BLF A 103 13.439 -3.705 18.189 1.00 0.23 H HETATM 1734 H1 BLF A 103 13.655 -6.359 18.884 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1665 1666 CONECT 1666 1665 1667 1674 CONECT 1667 1666 1668 1734 CONECT 1668 1667 1669 1672 CONECT 1669 1668 1670 1733 CONECT 1670 1669 1671 1708 CONECT 1671 1670 1672 1677 CONECT 1672 1668 1671 1673 CONECT 1673 1672 1674 1676 CONECT 1674 1666 1673 1675 CONECT 1675 1674 CONECT 1676 1673 CONECT 1677 1671 1678 1681 CONECT 1678 1677 1679 1694 CONECT 1679 1678 1680 1693 CONECT 1680 1679 1681 CONECT 1681 1677 1680 1682 CONECT 1682 1681 1683 1687 CONECT 1683 1682 1684 1692 CONECT 1684 1683 1685 1691 CONECT 1685 1684 1686 1690 CONECT 1686 1685 1687 1689 CONECT 1687 1682 1686 1688 CONECT 1688 1687 CONECT 1689 1686 CONECT 1690 1685 CONECT 1691 1684 CONECT 1692 1683 CONECT 1693 1679 CONECT 1694 1678 1695 1706 1707 CONECT 1695 1694 1696 1701 CONECT 1696 1695 1697 1705 CONECT 1697 1696 1698 1704 CONECT 1698 1697 1699 1700 CONECT 1699 1698 CONECT 1700 1698 1701 1703 CONECT 1701 1695 1700 1702 CONECT 1702 1701 CONECT 1703 1700 CONECT 1704 1697 CONECT 1705 1696 CONECT 1706 1694 CONECT 1707 1694 CONECT 1708 1670 1709 1710 CONECT 1709 1708 CONECT 1710 1708 1711 1732 CONECT 1711 1710 1712 1730 1731 CONECT 1712 1711 1713 1728 1729 CONECT 1713 1712 1714 1718 1727 CONECT 1714 1713 1715 1725 1726 CONECT 1715 1714 1716 1723 1724 CONECT 1716 1715 1717 CONECT 1717 1716 1718 1721 1722 CONECT 1718 1713 1717 1719 1720 CONECT 1719 1718 CONECT 1720 1718 CONECT 1721 1717 CONECT 1722 1717 CONECT 1723 1715 CONECT 1724 1715 CONECT 1725 1714 CONECT 1726 1714 CONECT 1727 1713 CONECT 1728 1712 CONECT 1729 1712 CONECT 1730 1711 CONECT 1731 1711 CONECT 1732 1710 CONECT 1733 1669 CONECT 1734 1667 MASTER 0 0 0 0 0 0 0 0 1733 1 74 8 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4dij
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
BLF
EC.Number
E.C.6.3.2
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
IC50=0.03uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Bioorg.Med.Chem.Lett. Vol. 22: pp. 3498-3502
Ligand Properties
Formula
C
3
1
H
3
0
Cl
2
N
5
O
2
Molecular Weight
575.508
Exact Mass
574.178
No. of atoms
70
No. of bonds
75
Polar Surface Area
76.38
LOGP Value
5.59 (
Computed with XLOGP3
)
6.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 9
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 6
Canonical SMILES
Clc1ccc2c(c1)[nH]c(c2c1n(cnc1c1ccccc1)Cc1ccc(cc1)Cl)C(=O)NCC[NH+]1CCOCC1
InChI String
InChI=1S/C31H29Cl2N5O2/c32-23-8-6-21(7-9-23)19-38-20-35-28(22-4-2-1-3-5-22)30(38)27-25-11-10-24(33)18-26(25)36-29(27)31(39)34-12-13-37-14-16-40-17-15-37/h1-11,18,20,36H,12-17,19H2,(H,34,39)/p+1
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):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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