Browse entries in the PDBbind-CN Database
HEADER 3LBK_COMPLEX COMPND 3LBK_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 THR LEU VAL ARG PRO LYS PRO GLU LEU LEU LYS LEU LEU SEQRES 2 A 85 LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET LYS SEQRES 3 A 85 GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR LYS SEQRES 4 A 85 ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR CYS SEQRES 5 A 85 SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SER SEQRES 6 A 85 PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET ILE SEQRES 7 A 85 TYR ARG ASN LEU VAL VAL VAL HET K A 23 48 ATOM 1 N THR A 26 26.725 5.831 -11.755 1.00 55.36 N ATOM 2 CA THR A 26 26.662 6.351 -10.357 1.00 55.09 C ATOM 3 C THR A 26 25.410 5.813 -9.628 1.00 54.26 C ATOM 4 O THR A 26 24.376 6.492 -9.567 1.00 54.16 O ATOM 5 CB THR A 26 26.686 7.917 -10.340 1.00 55.64 C ATOM 6 OG1 THR A 26 26.838 8.436 -11.679 1.00 56.01 O ATOM 7 CG2 THR A 26 27.826 8.428 -9.467 1.00 55.58 C ATOM 8 HA THR A 26 27.544 5.995 -9.825 1.00 0.00 H ATOM 9 HB THR A 26 25.738 8.262 -9.927 1.00 0.00 H ATOM 10 HG1 THR A 26 26.851 9.425 -11.649 1.00 0.00 H ATOM 11 HG23 THR A 26 27.712 8.036 -8.456 1.00 0.00 H ATOM 12 HG21 THR A 26 28.777 8.094 -9.882 1.00 0.00 H ATOM 13 HG22 THR A 26 27.802 9.517 -9.441 1.00 0.00 H ATOM 14 HN3 THR A 26 25.877 6.134 -12.275 1.00 0.00 H ATOM 15 HN2 THR A 26 26.768 4.792 -11.736 1.00 0.00 H ATOM 16 HN1 THR A 26 27.574 6.206 -12.225 1.00 0.00 H ATOM 17 N LEU A 27 25.535 4.608 -9.062 1.00 52.89 N ATOM 18 CA LEU A 27 24.415 3.881 -8.470 1.00 52.03 C ATOM 19 C LEU A 27 24.729 3.243 -7.115 1.00 50.72 C ATOM 20 O LEU A 27 25.857 2.851 -6.837 1.00 50.52 O ATOM 21 CB LEU A 27 23.985 2.753 -9.402 1.00 52.38 C ATOM 22 CG LEU A 27 23.191 3.075 -10.660 1.00 53.08 C ATOM 23 CD1 LEU A 27 23.490 1.977 -11.695 1.00 51.46 C ATOM 24 CD2 LEU A 27 21.687 3.180 -10.339 1.00 51.95 C ATOM 25 HA LEU A 27 23.634 4.627 -8.322 1.00 0.00 H ATOM 26 HB2 LEU A 27 24.894 2.244 -9.723 1.00 0.00 H ATOM 27 HB3 LEU A 27 23.377 2.069 -8.811 1.00 0.00 H ATOM 28 HG LEU A 27 23.484 4.042 -11.068 1.00 0.00 H ATOM 29 HD21 LEU A 27 21.337 2.231 -9.932 1.00 0.00 H ATOM 30 HD22 LEU A 27 21.527 3.972 -9.607 1.00 0.00 H ATOM 31 HD23 LEU A 27 21.137 3.411 -11.252 1.00 0.00 H ATOM 32 HD11 LEU A 27 24.558 1.966 -11.912 1.00 0.00 H ATOM 33 HD12 LEU A 27 23.189 1.009 -11.293 1.00 0.00 H ATOM 34 HD13 LEU A 27 22.934 2.181 -12.610 1.00 0.00 H ATOM 35 H LEU A 27 26.476 4.167 -9.042 1.00 0.00 H ATOM 36 N VAL A 28 23.695 3.084 -6.298 1.00 49.38 N ATOM 37 CA VAL A 28 23.847 2.524 -4.970 1.00 48.20 C ATOM 38 C VAL A 28 22.666 1.631 -4.635 1.00 47.85 C ATOM 39 O VAL A 28 21.576 1.761 -5.197 1.00 47.26 O ATOM 40 CB VAL A 28 23.934 3.655 -3.905 1.00 48.44 C ATOM 41 CG1 VAL A 28 25.065 4.619 -4.219 1.00 46.64 C ATOM 42 CG2 VAL A 28 22.652 4.403 -3.835 1.00 47.22 C ATOM 43 HA VAL A 28 24.767 1.940 -4.958 1.00 0.00 H ATOM 44 HB VAL A 28 24.133 3.186 -2.941 1.00 0.00 H ATOM 45 HG11 VAL A 28 26.011 4.077 -4.229 1.00 0.00 H ATOM 46 HG12 VAL A 28 24.894 5.072 -5.195 1.00 0.00 H ATOM 47 HG13 VAL A 28 25.099 5.397 -3.457 1.00 0.00 H ATOM 48 HG21 VAL A 28 22.438 4.847 -4.807 1.00 0.00 H ATOM 49 HG22 VAL A 28 21.848 3.719 -3.562 1.00 0.00 H ATOM 50 HG23 VAL A 28 22.732 5.190 -3.085 1.00 0.00 H ATOM 51 H VAL A 28 22.748 3.370 -6.620 1.00 0.00 H ATOM 52 N ARG A 29 22.896 0.721 -3.705 1.00 47.78 N ATOM 53 CA ARG A 29 21.852 -0.086 -3.113 1.00 47.56 C ATOM 54 C ARG A 29 21.821 0.265 -1.626 1.00 47.02 C ATOM 55 O ARG A 29 22.786 0.020 -0.881 1.00 46.08 O ATOM 56 CB ARG A 29 22.210 -1.529 -3.309 1.00 48.15 C ATOM 57 CG ARG A 29 21.171 -2.615 -2.890 1.00 50.76 C ATOM 58 CD ARG A 29 21.605 -3.989 -3.510 1.00 55.03 C ATOM 59 NE ARG A 29 22.951 -3.863 -4.113 1.00 58.93 N ATOM 60 CZ ARG A 29 23.203 -3.377 -5.338 1.00 61.51 C ATOM 61 NH1 ARG A 29 22.205 -3.021 -6.137 1.00 62.54 N ATOM 62 NH2 ARG A 29 24.454 -3.247 -5.780 1.00 63.14 N ATOM 63 HA ARG A 29 20.876 0.095 -3.563 1.00 0.00 H ATOM 64 HB2 ARG A 29 22.413 -1.670 -4.371 1.00 0.00 H ATOM 65 HB3 ARG A 29 23.120 -1.716 -2.738 1.00 0.00 H ATOM 66 HG2 ARG A 29 21.141 -2.695 -1.803 1.00 0.00 H ATOM 67 HG3 ARG A 29 20.183 -2.341 -3.260 1.00 0.00 H ATOM 68 HD2 ARG A 29 20.890 -4.282 -4.278 1.00 0.00 H ATOM 69 HD3 ARG A 29 21.628 -4.748 -2.728 1.00 0.00 H ATOM 70 HE ARG A 29 23.763 -4.175 -3.544 1.00 0.00 H ATOM 71 HH12 ARG A 29 22.407 -2.645 -7.085 1.00 0.00 H ATOM 72 HH11 ARG A 29 21.221 -3.118 -5.815 1.00 0.00 H ATOM 73 HH22 ARG A 29 24.632 -2.869 -6.732 1.00 0.00 H ATOM 74 HH21 ARG A 29 25.252 -3.524 -5.173 1.00 0.00 H ATOM 75 H ARG A 29 23.875 0.578 -3.383 1.00 0.00 H ATOM 76 N PRO A 30 20.732 0.883 -1.190 1.00 46.43 N ATOM 77 CA PRO A 30 20.634 1.159 0.237 1.00 46.50 C ATOM 78 C PRO A 30 20.678 -0.109 1.020 1.00 46.16 C ATOM 79 O PRO A 30 20.118 -1.090 0.583 1.00 46.50 O ATOM 80 CB PRO A 30 19.254 1.786 0.388 1.00 46.44 C ATOM 81 CG PRO A 30 18.558 1.522 -0.905 1.00 46.95 C ATOM 82 CD PRO A 30 19.618 1.472 -1.937 1.00 46.16 C ATOM 83 HA PRO A 30 21.447 1.791 0.594 1.00 0.00 H ATOM 84 HD3 PRO A 30 19.326 0.842 -2.777 1.00 0.00 H ATOM 85 HD2 PRO A 30 19.866 2.469 -2.301 1.00 0.00 H ATOM 86 HG3 PRO A 30 17.852 2.322 -1.126 1.00 0.00 H ATOM 87 HG2 PRO A 30 18.026 0.572 -0.862 1.00 0.00 H ATOM 88 HB2 PRO A 30 18.713 1.325 1.214 1.00 0.00 H ATOM 89 HB3 PRO A 30 19.339 2.858 0.564 1.00 0.00 H ATOM 90 N LYS A 31 21.354 -0.096 2.156 1.00 45.75 N ATOM 91 CA LYS A 31 21.236 -1.194 3.076 1.00 45.74 C ATOM 92 C LYS A 31 19.835 -1.248 3.681 1.00 45.72 C ATOM 93 O LYS A 31 19.124 -0.240 3.729 1.00 45.39 O ATOM 94 CB LYS A 31 22.319 -1.134 4.124 1.00 45.68 C ATOM 95 CG LYS A 31 23.625 -1.530 3.553 1.00 46.09 C ATOM 96 CD LYS A 31 24.681 -1.670 4.600 1.00 47.59 C ATOM 97 CE LYS A 31 25.207 -0.353 5.071 1.00 46.56 C ATOM 98 NZ LYS A 31 26.656 -0.515 5.525 1.00 47.67 N ATOM 99 HA LYS A 31 21.378 -2.126 2.529 1.00 0.00 H ATOM 100 HB2 LYS A 31 22.390 -0.116 4.507 1.00 0.00 H ATOM 101 HB3 LYS A 31 22.065 -1.811 4.940 1.00 0.00 H ATOM 102 HG2 LYS A 31 23.509 -2.485 3.041 1.00 0.00 H ATOM 103 HG3 LYS A 31 23.939 -0.771 2.836 1.00 0.00 H ATOM 104 HD2 LYS A 31 24.258 -2.202 5.453 1.00 0.00 H ATOM 105 HD3 LYS A 31 25.508 -2.248 4.186 1.00 0.00 H ATOM 106 HE2 LYS A 31 24.602 0.002 5.905 1.00 0.00 H ATOM 107 HE3 LYS A 31 25.160 0.369 4.256 1.00 0.00 H ATOM 108 HZ1 LYS A 31 26.699 -1.204 6.303 1.00 0.00 H ATOM 109 HZ2 LYS A 31 27.232 -0.853 4.728 1.00 0.00 H ATOM 110 HZ3 LYS A 31 27.020 0.403 5.852 1.00 0.00 H ATOM 111 H LYS A 31 21.972 0.709 2.384 1.00 0.00 H ATOM 112 N PRO A 32 19.419 -2.442 4.114 1.00 45.87 N ATOM 113 CA PRO A 32 17.988 -2.651 4.293 1.00 45.86 C ATOM 114 C PRO A 32 17.278 -1.563 5.083 1.00 45.87 C ATOM 115 O PRO A 32 16.157 -1.204 4.734 1.00 45.34 O ATOM 116 CB PRO A 32 17.921 -4.018 4.988 1.00 45.97 C ATOM 117 CG PRO A 32 19.161 -4.749 4.489 1.00 45.30 C ATOM 118 CD PRO A 32 20.201 -3.672 4.390 1.00 46.14 C ATOM 119 HA PRO A 32 17.459 -2.616 3.340 1.00 0.00 H ATOM 120 HD3 PRO A 32 20.753 -3.579 5.325 1.00 0.00 H ATOM 121 HD2 PRO A 32 20.898 -3.879 3.578 1.00 0.00 H ATOM 122 HG3 PRO A 32 18.978 -5.203 3.515 1.00 0.00 H ATOM 123 HG2 PRO A 32 19.467 -5.520 5.196 1.00 0.00 H ATOM 124 HB2 PRO A 32 17.949 -3.903 6.072 1.00 0.00 H ATOM 125 HB3 PRO A 32 17.015 -4.553 4.704 1.00 0.00 H ATOM 126 N GLU A 33 17.919 -1.021 6.114 1.00 46.39 N ATOM 127 CA GLU A 33 17.222 -0.097 7.005 1.00 47.39 C ATOM 128 C GLU A 33 16.929 1.249 6.374 1.00 47.21 C ATOM 129 O GLU A 33 15.850 1.802 6.535 1.00 47.38 O ATOM 130 CB GLU A 33 17.962 0.055 8.344 1.00 47.98 C ATOM 131 CG GLU A 33 17.644 -1.073 9.314 1.00 50.61 C ATOM 132 CD GLU A 33 16.138 -1.387 9.345 1.00 54.77 C ATOM 133 OE1 GLU A 33 15.329 -0.498 8.993 1.00 57.53 O ATOM 134 OE2 GLU A 33 15.743 -2.519 9.706 1.00 59.13 O ATOM 135 HA GLU A 33 16.249 -0.548 7.203 1.00 0.00 H ATOM 136 HB2 GLU A 33 19.035 0.060 8.153 1.00 0.00 H ATOM 137 HB3 GLU A 33 17.671 1.001 8.800 1.00 0.00 H ATOM 138 HG2 GLU A 33 18.186 -1.967 9.006 1.00 0.00 H ATOM 139 HG3 GLU A 33 17.965 -0.781 10.314 1.00 0.00 H ATOM 140 H GLU A 33 18.918 -1.255 6.286 1.00 0.00 H ATOM 141 N LEU A 34 17.892 1.762 5.636 1.00 47.54 N ATOM 142 CA LEU A 34 17.670 2.936 4.814 1.00 47.63 C ATOM 143 C LEU A 34 16.706 2.625 3.678 1.00 47.97 C ATOM 144 O LEU A 34 15.871 3.460 3.372 1.00 48.72 O ATOM 145 CB LEU A 34 18.974 3.438 4.251 1.00 47.53 C ATOM 146 CG LEU A 34 18.833 4.525 3.209 1.00 48.66 C ATOM 147 CD1 LEU A 34 18.310 5.723 3.959 1.00 48.68 C ATOM 148 CD2 LEU A 34 20.171 4.790 2.455 1.00 47.66 C ATOM 149 HA LEU A 34 17.232 3.710 5.444 1.00 0.00 H ATOM 150 HB2 LEU A 34 19.571 3.831 5.074 1.00 0.00 H ATOM 151 HB3 LEU A 34 19.495 2.596 3.796 1.00 0.00 H ATOM 152 HG LEU A 34 18.146 4.245 2.410 1.00 0.00 H ATOM 153 HD21 LEU A 34 20.934 5.100 3.169 1.00 0.00 H ATOM 154 HD22 LEU A 34 20.491 3.877 1.953 1.00 0.00 H ATOM 155 HD23 LEU A 34 20.021 5.578 1.717 1.00 0.00 H ATOM 156 HD11 LEU A 34 17.351 5.475 4.413 1.00 0.00 H ATOM 157 HD12 LEU A 34 19.021 6.002 4.737 1.00 0.00 H ATOM 158 HD13 LEU A 34 18.181 6.555 3.267 1.00 0.00 H ATOM 159 H LEU A 34 18.831 1.316 5.643 1.00 0.00 H ATOM 160 N LEU A 35 16.797 1.449 3.049 1.00 47.94 N ATOM 161 CA LEU A 35 15.811 1.081 2.025 1.00 48.02 C ATOM 162 C LEU A 35 14.378 1.130 2.572 1.00 48.12 C ATOM 163 O LEU A 35 13.450 1.640 1.884 1.00 48.29 O ATOM 164 CB LEU A 35 16.094 -0.290 1.400 1.00 48.56 C ATOM 165 CG LEU A 35 15.171 -0.721 0.229 1.00 49.56 C ATOM 166 CD1 LEU A 35 15.189 0.229 -0.949 1.00 49.72 C ATOM 167 CD2 LEU A 35 15.581 -2.083 -0.229 1.00 51.83 C ATOM 168 HA LEU A 35 15.906 1.828 1.236 1.00 0.00 H ATOM 169 HB2 LEU A 35 17.118 -0.280 1.028 1.00 0.00 H ATOM 170 HB3 LEU A 35 16.002 -1.038 2.187 1.00 0.00 H ATOM 171 HG LEU A 35 14.150 -0.714 0.612 1.00 0.00 H ATOM 172 HD21 LEU A 35 16.618 -2.055 -0.565 1.00 0.00 H ATOM 173 HD22 LEU A 35 15.484 -2.787 0.597 1.00 0.00 H ATOM 174 HD23 LEU A 35 14.939 -2.397 -1.052 1.00 0.00 H ATOM 175 HD11 LEU A 35 14.859 1.215 -0.624 1.00 0.00 H ATOM 176 HD12 LEU A 35 16.202 0.296 -1.345 1.00 0.00 H ATOM 177 HD13 LEU A 35 14.519 -0.143 -1.724 1.00 0.00 H ATOM 178 H LEU A 35 17.568 0.793 3.286 1.00 0.00 H ATOM 179 N LYS A 36 14.186 0.635 3.792 1.00 47.58 N ATOM 180 CA LYS A 36 12.866 0.713 4.417 1.00 47.94 C ATOM 181 C LYS A 36 12.473 2.167 4.606 1.00 47.19 C ATOM 182 O LYS A 36 11.360 2.569 4.249 1.00 46.74 O ATOM 183 CB LYS A 36 12.782 -0.069 5.737 1.00 48.05 C ATOM 184 CG LYS A 36 13.193 -1.582 5.593 1.00 50.52 C ATOM 185 CD LYS A 36 12.261 -2.574 6.361 1.00 52.44 C ATOM 186 CE LYS A 36 12.773 -4.043 6.361 1.00 54.49 C ATOM 187 NZ LYS A 36 13.913 -4.361 7.334 1.00 56.49 N ATOM 188 HA LYS A 36 12.154 0.235 3.744 1.00 0.00 H ATOM 189 HB2 LYS A 36 13.446 0.403 6.461 1.00 0.00 H ATOM 190 HB3 LYS A 36 11.756 -0.022 6.102 1.00 0.00 H ATOM 191 HG2 LYS A 36 13.173 -1.843 4.535 1.00 0.00 H ATOM 192 HG3 LYS A 36 14.207 -1.699 5.976 1.00 0.00 H ATOM 193 HD2 LYS A 36 12.179 -2.238 7.395 1.00 0.00 H ATOM 194 HD3 LYS A 36 11.276 -2.553 5.894 1.00 0.00 H ATOM 195 HE2 LYS A 36 13.120 -4.275 5.354 1.00 0.00 H ATOM 196 HE3 LYS A 36 11.931 -4.689 6.611 1.00 0.00 H ATOM 197 HZ1 LYS A 36 14.737 -3.769 7.106 1.00 0.00 H ATOM 198 HZ2 LYS A 36 13.602 -4.165 8.307 1.00 0.00 H ATOM 199 HZ3 LYS A 36 14.171 -5.365 7.247 1.00 0.00 H ATOM 200 H LYS A 36 14.976 0.192 4.302 1.00 0.00 H ATOM 201 N LEU A 37 13.396 2.963 5.125 1.00 46.93 N ATOM 202 CA LEU A 37 13.147 4.403 5.261 1.00 47.07 C ATOM 203 C LEU A 37 12.875 5.068 3.904 1.00 47.49 C ATOM 204 O LEU A 37 11.953 5.874 3.807 1.00 48.39 O ATOM 205 CB LEU A 37 14.284 5.087 6.039 1.00 46.86 C ATOM 206 CG LEU A 37 14.797 6.510 5.772 1.00 46.16 C ATOM 207 CD1 LEU A 37 13.744 7.409 5.226 1.00 44.08 C ATOM 208 CD2 LEU A 37 15.408 7.107 7.058 1.00 43.90 C ATOM 209 HA LEU A 37 12.237 4.532 5.847 1.00 0.00 H ATOM 210 HB2 LEU A 37 13.968 5.082 7.082 1.00 0.00 H ATOM 211 HB3 LEU A 37 15.151 4.437 5.920 1.00 0.00 H ATOM 212 HG LEU A 37 15.569 6.433 5.007 1.00 0.00 H ATOM 213 HD21 LEU A 37 14.647 7.142 7.838 1.00 0.00 H ATOM 214 HD22 LEU A 37 16.239 6.483 7.387 1.00 0.00 H ATOM 215 HD23 LEU A 37 15.767 8.116 6.854 1.00 0.00 H ATOM 216 HD11 LEU A 37 13.376 7.004 4.283 1.00 0.00 H ATOM 217 HD12 LEU A 37 12.922 7.479 5.939 1.00 0.00 H ATOM 218 HD13 LEU A 37 14.166 8.400 5.058 1.00 0.00 H ATOM 219 H LEU A 37 14.304 2.564 5.438 1.00 0.00 H ATOM 220 N LEU A 38 13.643 4.740 2.863 1.00 47.43 N ATOM 221 CA LEU A 38 13.401 5.311 1.539 1.00 48.28 C ATOM 222 C LEU A 38 12.016 4.900 0.966 1.00 49.21 C ATOM 223 O LEU A 38 11.340 5.697 0.307 1.00 48.97 O ATOM 224 CB LEU A 38 14.501 4.887 0.551 1.00 48.48 C ATOM 225 CG LEU A 38 15.965 5.362 0.706 1.00 47.58 C ATOM 226 CD1 LEU A 38 16.752 5.123 -0.570 1.00 44.39 C ATOM 227 CD2 LEU A 38 16.055 6.816 1.136 1.00 46.71 C ATOM 228 HA LEU A 38 13.413 6.394 1.662 1.00 0.00 H ATOM 229 HB2 LEU A 38 14.529 3.798 0.573 1.00 0.00 H ATOM 230 HB3 LEU A 38 14.173 5.221 -0.433 1.00 0.00 H ATOM 231 HG LEU A 38 16.411 4.766 1.502 1.00 0.00 H ATOM 232 HD21 LEU A 38 15.572 7.445 0.388 1.00 0.00 H ATOM 233 HD22 LEU A 38 15.555 6.941 2.096 1.00 0.00 H ATOM 234 HD23 LEU A 38 17.103 7.101 1.231 1.00 0.00 H ATOM 235 HD11 LEU A 38 16.752 4.058 -0.801 1.00 0.00 H ATOM 236 HD12 LEU A 38 16.290 5.674 -1.389 1.00 0.00 H ATOM 237 HD13 LEU A 38 17.777 5.466 -0.433 1.00 0.00 H ATOM 238 H LEU A 38 14.426 4.068 2.996 1.00 0.00 H ATOM 239 N LYS A 39 11.611 3.653 1.211 1.00 50.29 N ATOM 240 CA LYS A 39 10.296 3.182 0.780 1.00 51.14 C ATOM 241 C LYS A 39 9.190 3.828 1.553 1.00 51.28 C ATOM 242 O LYS A 39 8.127 4.006 0.992 1.00 51.91 O ATOM 243 CB LYS A 39 10.132 1.675 0.913 1.00 51.23 C ATOM 244 CG LYS A 39 10.870 0.873 -0.116 1.00 52.68 C ATOM 245 CD LYS A 39 10.910 -0.583 0.332 1.00 54.14 C ATOM 246 CE LYS A 39 11.626 -1.491 -0.658 1.00 55.09 C ATOM 247 NZ LYS A 39 11.926 -2.844 -0.038 1.00 56.34 N ATOM 248 HA LYS A 39 10.235 3.459 -0.273 1.00 0.00 H ATOM 249 HB2 LYS A 39 10.493 1.379 1.898 1.00 0.00 H ATOM 250 HB3 LYS A 39 9.071 1.440 0.831 1.00 0.00 H ATOM 251 HG2 LYS A 39 10.358 0.947 -1.075 1.00 0.00 H ATOM 252 HG3 LYS A 39 11.886 1.253 -0.218 1.00 0.00 H ATOM 253 HD2 LYS A 39 11.427 -0.638 1.290 1.00 0.00 H ATOM 254 HD3 LYS A 39 9.886 -0.938 0.452 1.00 0.00 H ATOM 255 HE2 LYS A 39 12.562 -1.022 -0.960 1.00 0.00 H ATOM 256 HE3 LYS A 39 10.993 -1.633 -1.534 1.00 0.00 H ATOM 257 HZ1 LYS A 39 12.534 -2.715 0.796 1.00 0.00 H ATOM 258 HZ2 LYS A 39 11.035 -3.298 0.248 1.00 0.00 H ATOM 259 HZ3 LYS A 39 12.414 -3.443 -0.734 1.00 0.00 H ATOM 260 H LYS A 39 12.244 3.002 1.719 1.00 0.00 H ATOM 261 N SER A 40 9.407 4.164 2.823 1.00 51.85 N ATOM 262 CA SER A 40 8.345 4.830 3.604 1.00 52.42 C ATOM 263 C SER A 40 7.978 6.203 3.000 1.00 53.16 C ATOM 264 O SER A 40 6.873 6.680 3.179 1.00 53.04 O ATOM 265 CB SER A 40 8.697 4.945 5.103 1.00 52.30 C ATOM 266 OG SER A 40 9.981 5.511 5.321 1.00 51.33 O ATOM 267 HA SER A 40 7.463 4.193 3.541 1.00 0.00 H ATOM 268 HB2 SER A 40 8.675 3.949 5.544 1.00 0.00 H ATOM 269 HB3 SER A 40 7.951 5.573 5.590 1.00 0.00 H ATOM 270 HG SER A 40 10.668 4.944 4.890 1.00 0.00 H ATOM 271 H SER A 40 10.325 3.957 3.265 1.00 0.00 H ATOM 272 N VAL A 41 8.906 6.814 2.271 1.00 54.30 N ATOM 273 CA VAL A 41 8.612 8.018 1.471 1.00 55.28 C ATOM 274 C VAL A 41 8.277 7.689 -0.005 1.00 56.21 C ATOM 275 O VAL A 41 8.390 8.539 -0.896 1.00 56.42 O ATOM 276 CB VAL A 41 9.759 9.092 1.574 1.00 55.16 C ATOM 277 CG1 VAL A 41 9.604 9.888 2.852 1.00 55.95 C ATOM 278 CG2 VAL A 41 11.139 8.465 1.518 1.00 54.62 C ATOM 279 HA VAL A 41 7.714 8.456 1.907 1.00 0.00 H ATOM 280 HB VAL A 41 9.667 9.753 0.712 1.00 0.00 H ATOM 281 HG11 VAL A 41 8.637 10.392 2.850 1.00 0.00 H ATOM 282 HG12 VAL A 41 9.662 9.215 3.707 1.00 0.00 H ATOM 283 HG13 VAL A 41 10.401 10.629 2.916 1.00 0.00 H ATOM 284 HG21 VAL A 41 11.253 7.767 2.347 1.00 0.00 H ATOM 285 HG22 VAL A 41 11.257 7.933 0.574 1.00 0.00 H ATOM 286 HG23 VAL A 41 11.895 9.247 1.593 1.00 0.00 H ATOM 287 H VAL A 41 9.873 6.430 2.264 1.00 0.00 H ATOM 288 N GLY A 42 7.859 6.452 -0.250 1.00 57.22 N ATOM 289 CA GLY A 42 7.376 6.041 -1.560 1.00 58.01 C ATOM 290 C GLY A 42 8.425 5.854 -2.646 1.00 58.71 C ATOM 291 O GLY A 42 8.175 6.157 -3.808 1.00 58.88 O ATOM 292 HA3 GLY A 42 6.673 6.799 -1.906 1.00 0.00 H ATOM 293 HA2 GLY A 42 6.854 5.092 -1.437 1.00 0.00 H ATOM 294 H GLY A 42 7.878 5.754 0.520 1.00 0.00 H ATOM 295 N ALA A 43 9.595 5.349 -2.285 1.00 59.31 N ATOM 296 CA ALA A 43 10.544 4.906 -3.288 1.00 59.60 C ATOM 297 C ALA A 43 10.079 3.528 -3.752 1.00 59.91 C ATOM 298 O ALA A 43 9.645 2.696 -2.931 1.00 59.70 O ATOM 299 CB ALA A 43 11.965 4.840 -2.714 1.00 59.72 C ATOM 300 HA ALA A 43 10.580 5.607 -4.122 1.00 0.00 H ATOM 301 HB1 ALA A 43 12.261 5.830 -2.366 1.00 0.00 H ATOM 302 HB2 ALA A 43 11.986 4.139 -1.880 1.00 0.00 H ATOM 303 HB3 ALA A 43 12.654 4.505 -3.490 1.00 0.00 H ATOM 304 H ALA A 43 9.835 5.270 -1.276 1.00 0.00 H ATOM 305 N GLN A 44 10.184 3.297 -5.064 1.00 60.01 N ATOM 306 CA GLN A 44 9.741 2.054 -5.693 1.00 59.98 C ATOM 307 C GLN A 44 10.862 1.105 -6.046 1.00 60.18 C ATOM 308 O GLN A 44 10.594 -0.066 -6.274 1.00 60.90 O ATOM 309 CB GLN A 44 8.969 2.364 -6.968 1.00 60.24 C ATOM 310 HA GLN A 44 9.116 1.560 -4.949 1.00 0.00 H ATOM 311 HB2 GLN A 44 8.099 2.974 -6.725 1.00 0.00 H ATOM 312 HB3 GLN A 44 9.614 2.907 -7.659 1.00 0.00 H ATOM 313 H GLN A 44 10.600 4.036 -5.666 1.00 0.00 H ATOM 314 N LYS A 45 12.109 1.582 -6.086 1.00 60.02 N ATOM 315 CA LYS A 45 13.250 0.755 -6.538 1.00 59.46 C ATOM 316 C LYS A 45 13.960 0.032 -5.380 1.00 59.01 C ATOM 317 O LYS A 45 13.465 0.042 -4.239 1.00 59.83 O ATOM 318 CB LYS A 45 14.252 1.621 -7.313 1.00 59.52 C ATOM 319 CG LYS A 45 13.643 2.471 -8.439 1.00 59.95 C ATOM 320 CD LYS A 45 14.619 3.485 -9.012 1.00 60.23 C ATOM 321 CE LYS A 45 15.814 2.827 -9.683 1.00 60.77 C ATOM 322 NZ LYS A 45 16.998 3.733 -9.680 1.00 61.53 N ATOM 323 HA LYS A 45 12.844 -0.017 -7.192 1.00 0.00 H ATOM 324 HB2 LYS A 45 14.736 2.294 -6.605 1.00 0.00 H ATOM 325 HB3 LYS A 45 14.999 0.961 -7.754 1.00 0.00 H ATOM 326 HG2 LYS A 45 13.321 1.807 -9.241 1.00 0.00 H ATOM 327 HG3 LYS A 45 12.779 3.005 -8.043 1.00 0.00 H ATOM 328 HD2 LYS A 45 14.097 4.096 -9.748 1.00 0.00 H ATOM 329 HD3 LYS A 45 14.978 4.121 -8.203 1.00 0.00 H ATOM 330 HE2 LYS A 45 15.555 2.583 -10.713 1.00 0.00 H ATOM 331 HE3 LYS A 45 16.064 1.912 -9.147 1.00 0.00 H ATOM 332 HZ1 LYS A 45 16.766 4.606 -10.195 1.00 0.00 H ATOM 333 HZ2 LYS A 45 17.253 3.965 -8.699 1.00 0.00 H ATOM 334 HZ3 LYS A 45 17.798 3.258 -10.144 1.00 0.00 H ATOM 335 H LYS A 45 12.283 2.564 -5.791 1.00 0.00 H ATOM 336 N ASP A 46 15.069 -0.649 -5.703 1.00 57.76 N ATOM 337 CA ASP A 46 16.042 -1.170 -4.737 1.00 56.85 C ATOM 338 C ASP A 46 17.466 -0.809 -5.157 1.00 55.90 C ATOM 339 O ASP A 46 18.425 -1.310 -4.582 1.00 56.28 O ATOM 340 CB ASP A 46 15.951 -2.699 -4.592 1.00 57.09 C ATOM 341 CG ASP A 46 14.831 -3.142 -3.647 1.00 58.56 C ATOM 342 OD1 ASP A 46 13.674 -2.678 -3.819 1.00 59.79 O ATOM 343 OD2 ASP A 46 15.098 -3.975 -2.741 1.00 59.13 O ATOM 344 HA ASP A 46 15.803 -0.710 -3.778 1.00 0.00 H ATOM 345 HB2 ASP A 46 15.768 -3.132 -5.576 1.00 0.00 H ATOM 346 HB3 ASP A 46 16.900 -3.069 -4.204 1.00 0.00 H ATOM 347 H ASP A 46 15.253 -0.820 -6.712 1.00 0.00 H ATOM 348 N THR A 47 17.630 0.033 -6.172 1.00 54.59 N ATOM 349 CA THR A 47 18.949 0.560 -6.469 1.00 53.44 C ATOM 350 C THR A 47 18.850 1.909 -7.163 1.00 52.03 C ATOM 351 O THR A 47 18.248 2.047 -8.234 1.00 51.60 O ATOM 352 CB THR A 47 19.763 -0.389 -7.316 1.00 53.44 C ATOM 353 OG1 THR A 47 19.321 -0.276 -8.669 1.00 54.96 O ATOM 354 CG2 THR A 47 19.603 -1.827 -6.812 1.00 52.61 C ATOM 355 HA THR A 47 19.460 0.682 -5.514 1.00 0.00 H ATOM 356 HB THR A 47 20.820 -0.133 -7.252 1.00 0.00 H ATOM 357 HG1 THR A 47 19.451 0.655 -8.981 1.00 0.00 H ATOM 358 HG23 THR A 47 19.946 -1.889 -5.779 1.00 0.00 H ATOM 359 HG21 THR A 47 18.553 -2.115 -6.865 1.00 0.00 H ATOM 360 HG22 THR A 47 20.197 -2.497 -7.434 1.00 0.00 H ATOM 361 H THR A 47 16.814 0.314 -6.753 1.00 0.00 H ATOM 362 N TYR A 48 19.489 2.889 -6.544 1.00 49.93 N ATOM 363 CA TYR A 48 19.222 4.248 -6.855 1.00 48.51 C ATOM 364 C TYR A 48 20.512 4.914 -7.250 1.00 47.42 C ATOM 365 O TYR A 48 21.588 4.369 -7.080 1.00 47.52 O ATOM 366 CB TYR A 48 18.614 4.942 -5.638 1.00 48.53 C ATOM 367 CG TYR A 48 17.388 4.257 -5.034 1.00 48.67 C ATOM 368 CD1 TYR A 48 17.479 3.012 -4.412 1.00 49.71 C ATOM 369 CD2 TYR A 48 16.152 4.879 -5.047 1.00 49.13 C ATOM 370 CE1 TYR A 48 16.361 2.396 -3.852 1.00 49.80 C ATOM 371 CE2 TYR A 48 15.040 4.284 -4.487 1.00 51.10 C ATOM 372 CZ TYR A 48 15.141 3.042 -3.887 1.00 51.61 C ATOM 373 OH TYR A 48 14.002 2.465 -3.326 1.00 53.94 O ATOM 374 HA TYR A 48 18.513 4.314 -7.680 1.00 0.00 H ATOM 375 HB3 TYR A 48 18.323 5.949 -5.936 1.00 0.00 H ATOM 376 HB2 TYR A 48 19.381 5.000 -4.866 1.00 0.00 H ATOM 377 HD2 TYR A 48 16.055 5.861 -5.510 1.00 0.00 H ATOM 378 HE2 TYR A 48 14.078 4.795 -4.518 1.00 0.00 H ATOM 379 HE1 TYR A 48 16.449 1.413 -3.390 1.00 0.00 H ATOM 380 HD1 TYR A 48 18.445 2.510 -4.363 1.00 0.00 H ATOM 381 HH TYR A 48 14.236 1.584 -2.939 1.00 0.00 H ATOM 382 H TYR A 48 20.198 2.660 -5.818 1.00 0.00 H ATOM 383 N THR A 49 20.367 6.071 -7.856 1.00 46.08 N ATOM 384 CA THR A 49 21.369 7.074 -7.845 1.00 45.39 C ATOM 385 C THR A 49 21.341 7.744 -6.466 1.00 45.52 C ATOM 386 O THR A 49 20.336 7.677 -5.773 1.00 45.17 O ATOM 387 CB THR A 49 21.025 8.112 -8.917 1.00 45.63 C ATOM 388 OG1 THR A 49 19.591 8.302 -8.995 1.00 43.20 O ATOM 389 CG2 THR A 49 21.581 7.687 -10.278 1.00 44.74 C ATOM 390 HA THR A 49 22.354 6.652 -8.044 1.00 0.00 H ATOM 391 HB THR A 49 21.487 9.059 -8.638 1.00 0.00 H ATOM 392 HG1 THR A 49 19.158 7.443 -9.227 1.00 0.00 H ATOM 393 HG23 THR A 49 22.659 7.549 -10.201 1.00 0.00 H ATOM 394 HG21 THR A 49 21.114 6.751 -10.583 1.00 0.00 H ATOM 395 HG22 THR A 49 21.364 8.460 -11.015 1.00 0.00 H ATOM 396 H THR A 49 19.480 6.259 -8.365 1.00 0.00 H ATOM 397 N MET A 50 22.434 8.389 -6.076 1.00 45.89 N ATOM 398 CA MET A 50 22.478 9.197 -4.849 1.00 46.48 C ATOM 399 C MET A 50 21.391 10.244 -4.855 1.00 46.85 C ATOM 400 O MET A 50 20.665 10.421 -3.874 1.00 46.48 O ATOM 401 CB MET A 50 23.804 9.940 -4.738 1.00 46.49 C ATOM 402 CG MET A 50 24.858 9.173 -4.016 1.00 48.79 C ATOM 403 SD MET A 50 24.450 8.987 -2.269 1.00 51.35 S ATOM 404 CE MET A 50 24.811 10.617 -1.633 1.00 49.44 C ATOM 405 HA MET A 50 22.347 8.509 -4.014 1.00 0.00 H ATOM 406 HB2 MET A 50 24.163 10.157 -5.744 1.00 0.00 H ATOM 407 HB3 MET A 50 23.632 10.875 -4.205 1.00 0.00 H ATOM 408 HG2 MET A 50 25.807 9.702 -4.105 1.00 0.00 H ATOM 409 HG3 MET A 50 24.951 8.185 -4.467 1.00 0.00 H ATOM 410 HE1 MET A 50 25.862 10.848 -1.806 1.00 0.00 H ATOM 411 HE2 MET A 50 24.187 11.351 -2.143 1.00 0.00 H ATOM 412 HE3 MET A 50 24.603 10.643 -0.563 1.00 0.00 H ATOM 413 H MET A 50 23.291 8.320 -6.661 1.00 0.00 H ATOM 414 N LYS A 51 21.322 10.944 -5.991 1.00 47.31 N ATOM 415 CA LYS A 51 20.326 11.976 -6.269 1.00 47.17 C ATOM 416 C LYS A 51 18.977 11.490 -5.798 1.00 45.81 C ATOM 417 O LYS A 51 18.316 12.170 -5.038 1.00 46.35 O ATOM 418 CB LYS A 51 20.255 12.325 -7.778 1.00 47.26 C ATOM 419 CG LYS A 51 21.637 12.467 -8.529 1.00 50.44 C ATOM 420 CD LYS A 51 22.048 11.147 -9.214 1.00 50.58 C ATOM 421 CE LYS A 51 23.546 10.910 -9.287 1.00 51.39 C ATOM 422 NZ LYS A 51 23.859 9.431 -9.397 1.00 51.48 N ATOM 423 HA LYS A 51 20.617 12.882 -5.738 1.00 0.00 H ATOM 424 HB2 LYS A 51 19.686 11.539 -8.275 1.00 0.00 H ATOM 425 HB3 LYS A 51 19.725 13.272 -7.875 1.00 0.00 H ATOM 426 HG2 LYS A 51 21.551 13.247 -9.286 1.00 0.00 H ATOM 427 HG3 LYS A 51 22.405 12.746 -7.808 1.00 0.00 H ATOM 428 HD2 LYS A 51 21.600 10.322 -8.659 1.00 0.00 H ATOM 429 HD3 LYS A 51 21.655 11.155 -10.231 1.00 0.00 H ATOM 430 HE2 LYS A 51 24.014 11.307 -8.386 1.00 0.00 H ATOM 431 HE3 LYS A 51 23.946 11.425 -10.160 1.00 0.00 H ATOM 432 HZ1 LYS A 51 23.483 8.935 -8.563 1.00 0.00 H ATOM 433 HZ2 LYS A 51 23.418 9.048 -10.258 1.00 0.00 H ATOM 434 HZ3 LYS A 51 24.889 9.299 -9.445 1.00 0.00 H ATOM 435 H LYS A 51 22.026 10.740 -6.729 1.00 0.00 H ATOM 436 N GLU A 52 18.584 10.315 -6.258 1.00 44.32 N ATOM 437 CA GLU A 52 17.339 9.703 -5.822 1.00 44.22 C ATOM 438 C GLU A 52 17.332 9.371 -4.327 1.00 42.29 C ATOM 439 O GLU A 52 16.300 9.398 -3.710 1.00 40.83 O ATOM 440 CB GLU A 52 17.075 8.397 -6.579 1.00 44.71 C ATOM 441 CG GLU A 52 16.409 8.503 -7.943 1.00 45.85 C ATOM 442 CD GLU A 52 16.559 7.201 -8.691 1.00 48.34 C ATOM 443 OE1 GLU A 52 17.706 6.937 -9.113 1.00 51.21 O ATOM 444 OE2 GLU A 52 15.567 6.433 -8.810 1.00 47.01 O ATOM 445 HA GLU A 52 16.565 10.442 -6.030 1.00 0.00 H ATOM 446 HB2 GLU A 52 18.035 7.901 -6.721 1.00 0.00 H ATOM 447 HB3 GLU A 52 16.436 7.777 -5.950 1.00 0.00 H ATOM 448 HG2 GLU A 52 15.350 8.725 -7.812 1.00 0.00 H ATOM 449 HG3 GLU A 52 16.879 9.304 -8.514 1.00 0.00 H ATOM 450 H GLU A 52 19.180 9.816 -6.949 1.00 0.00 H ATOM 451 N VAL A 53 18.487 9.002 -3.791 1.00 40.81 N ATOM 452 CA VAL A 53 18.614 8.724 -2.390 1.00 39.98 C ATOM 453 C VAL A 53 18.414 10.023 -1.637 1.00 39.07 C ATOM 454 O VAL A 53 17.529 10.118 -0.791 1.00 38.91 O ATOM 455 CB VAL A 53 19.961 8.052 -2.063 1.00 40.51 C ATOM 456 CG1 VAL A 53 20.323 8.213 -0.556 1.00 40.59 C ATOM 457 CG2 VAL A 53 19.893 6.577 -2.479 1.00 38.20 C ATOM 458 HA VAL A 53 17.853 8.008 -2.079 1.00 0.00 H ATOM 459 HB VAL A 53 20.757 8.541 -2.624 1.00 0.00 H ATOM 460 HG11 VAL A 53 20.395 9.273 -0.312 1.00 0.00 H ATOM 461 HG12 VAL A 53 19.547 7.751 0.054 1.00 0.00 H ATOM 462 HG13 VAL A 53 21.279 7.728 -0.359 1.00 0.00 H ATOM 463 HG21 VAL A 53 19.091 6.083 -1.931 1.00 0.00 H ATOM 464 HG22 VAL A 53 19.698 6.511 -3.549 1.00 0.00 H ATOM 465 HG23 VAL A 53 20.842 6.092 -2.251 1.00 0.00 H ATOM 466 H VAL A 53 19.323 8.912 -4.403 1.00 0.00 H ATOM 467 N LEU A 54 19.182 11.038 -1.996 1.00 37.76 N ATOM 468 CA LEU A 54 19.096 12.327 -1.317 1.00 36.99 C ATOM 469 C LEU A 54 17.711 12.886 -1.404 1.00 36.84 C ATOM 470 O LEU A 54 17.208 13.425 -0.416 1.00 37.09 O ATOM 471 CB LEU A 54 20.079 13.332 -1.883 1.00 36.53 C ATOM 472 CG LEU A 54 21.527 13.167 -1.478 1.00 35.30 C ATOM 473 CD1 LEU A 54 22.461 13.793 -2.529 1.00 35.71 C ATOM 474 CD2 LEU A 54 21.730 13.811 -0.155 1.00 35.84 C ATOM 475 HA LEU A 54 19.350 12.148 -0.272 1.00 0.00 H ATOM 476 HB2 LEU A 54 20.030 13.266 -2.970 1.00 0.00 H ATOM 477 HB3 LEU A 54 19.758 14.324 -1.565 1.00 0.00 H ATOM 478 HG LEU A 54 21.766 12.106 -1.411 1.00 0.00 H ATOM 479 HD21 LEU A 54 21.484 14.870 -0.227 1.00 0.00 H ATOM 480 HD22 LEU A 54 21.083 13.336 0.582 1.00 0.00 H ATOM 481 HD23 LEU A 54 22.771 13.698 0.147 1.00 0.00 H ATOM 482 HD11 LEU A 54 22.305 13.302 -3.490 1.00 0.00 H ATOM 483 HD12 LEU A 54 22.240 14.856 -2.622 1.00 0.00 H ATOM 484 HD13 LEU A 54 23.497 13.662 -2.216 1.00 0.00 H ATOM 485 H LEU A 54 19.859 10.916 -2.776 1.00 0.00 H ATOM 486 N PHE A 55 17.085 12.761 -2.572 1.00 36.54 N ATOM 487 CA PHE A 55 15.691 13.190 -2.730 1.00 36.42 C ATOM 488 C PHE A 55 14.697 12.540 -1.776 1.00 36.31 C ATOM 489 O PHE A 55 13.932 13.210 -1.113 1.00 37.96 O ATOM 490 CB PHE A 55 15.179 12.923 -4.134 1.00 36.45 C ATOM 491 CG PHE A 55 13.757 13.360 -4.341 1.00 35.62 C ATOM 492 CD1 PHE A 55 13.456 14.704 -4.504 1.00 36.69 C ATOM 493 CD2 PHE A 55 12.735 12.453 -4.341 1.00 35.38 C ATOM 494 CE1 PHE A 55 12.172 15.109 -4.691 1.00 36.48 C ATOM 495 CE2 PHE A 55 11.439 12.860 -4.537 1.00 36.66 C ATOM 496 CZ PHE A 55 11.162 14.195 -4.715 1.00 36.19 C ATOM 497 HA PHE A 55 15.738 14.255 -2.503 1.00 0.00 H ATOM 498 HB2 PHE A 55 15.812 13.459 -4.841 1.00 0.00 H ATOM 499 HB3 PHE A 55 15.244 11.852 -4.329 1.00 0.00 H ATOM 500 HD2 PHE A 55 12.951 11.396 -4.184 1.00 0.00 H ATOM 501 HE2 PHE A 55 10.632 12.127 -4.552 1.00 0.00 H ATOM 502 HZ PHE A 55 10.135 14.522 -4.875 1.00 0.00 H ATOM 503 HE1 PHE A 55 11.950 16.168 -4.822 1.00 0.00 H ATOM 504 HD1 PHE A 55 14.257 15.443 -4.482 1.00 0.00 H ATOM 505 H PHE A 55 17.591 12.353 -3.384 1.00 0.00 H ATOM 506 N TYR A 56 14.642 11.237 -1.741 1.00 36.45 N ATOM 507 CA TYR A 56 13.740 10.594 -0.781 1.00 37.14 C ATOM 508 C TYR A 56 14.107 10.868 0.703 1.00 36.70 C ATOM 509 O TYR A 56 13.220 10.889 1.582 1.00 36.82 O ATOM 510 CB TYR A 56 13.685 9.105 -1.064 1.00 37.17 C ATOM 511 CG TYR A 56 13.084 8.811 -2.397 1.00 38.53 C ATOM 512 CD1 TYR A 56 11.751 9.096 -2.650 1.00 42.57 C ATOM 513 CD2 TYR A 56 13.829 8.233 -3.405 1.00 41.34 C ATOM 514 CE1 TYR A 56 11.169 8.825 -3.927 1.00 44.98 C ATOM 515 CE2 TYR A 56 13.267 7.939 -4.651 1.00 43.64 C ATOM 516 CZ TYR A 56 11.937 8.241 -4.899 1.00 44.61 C ATOM 517 OH TYR A 56 11.383 7.959 -6.109 1.00 48.26 O ATOM 518 HA TYR A 56 12.754 11.037 -0.919 1.00 0.00 H ATOM 519 HB3 TYR A 56 13.085 8.622 -0.293 1.00 0.00 H ATOM 520 HB2 TYR A 56 14.698 8.704 -1.038 1.00 0.00 H ATOM 521 HD2 TYR A 56 14.879 8.001 -3.226 1.00 0.00 H ATOM 522 HE2 TYR A 56 13.874 7.473 -5.427 1.00 0.00 H ATOM 523 HE1 TYR A 56 10.128 9.080 -4.125 1.00 0.00 H ATOM 524 HD1 TYR A 56 11.137 9.534 -1.863 1.00 0.00 H ATOM 525 HH TYR A 56 10.434 8.240 -6.109 1.00 0.00 H ATOM 526 H TYR A 56 15.227 10.665 -2.383 1.00 0.00 H ATOM 527 N LEU A 57 15.392 11.095 0.970 1.00 35.42 N ATOM 528 CA LEU A 57 15.801 11.461 2.302 1.00 35.21 C ATOM 529 C LEU A 57 15.152 12.780 2.741 1.00 36.60 C ATOM 530 O LEU A 57 14.379 12.798 3.709 1.00 36.00 O ATOM 531 CB LEU A 57 17.313 11.484 2.435 1.00 34.11 C ATOM 532 CG LEU A 57 17.898 10.102 2.595 1.00 31.55 C ATOM 533 CD1 LEU A 57 19.373 10.161 2.572 1.00 29.99 C ATOM 534 CD2 LEU A 57 17.434 9.482 3.855 1.00 29.28 C ATOM 535 HA LEU A 57 15.442 10.691 2.985 1.00 0.00 H ATOM 536 HB2 LEU A 57 17.736 11.942 1.541 1.00 0.00 H ATOM 537 HB3 LEU A 57 17.579 12.080 3.308 1.00 0.00 H ATOM 538 HG LEU A 57 17.558 9.489 1.760 1.00 0.00 H ATOM 539 HD21 LEU A 57 17.747 10.098 4.698 1.00 0.00 H ATOM 540 HD22 LEU A 57 16.347 9.406 3.842 1.00 0.00 H ATOM 541 HD23 LEU A 57 17.868 8.487 3.950 1.00 0.00 H ATOM 542 HD11 LEU A 57 19.704 10.579 1.621 1.00 0.00 H ATOM 543 HD12 LEU A 57 19.723 10.792 3.389 1.00 0.00 H ATOM 544 HD13 LEU A 57 19.777 9.156 2.689 1.00 0.00 H ATOM 545 H LEU A 57 16.102 11.008 0.215 1.00 0.00 H ATOM 546 N GLY A 58 15.416 13.850 1.997 1.00 38.16 N ATOM 547 CA GLY A 58 14.819 15.158 2.252 1.00 39.46 C ATOM 548 C GLY A 58 13.317 15.094 2.355 1.00 40.84 C ATOM 549 O GLY A 58 12.731 15.741 3.180 1.00 41.36 O ATOM 550 HA3 GLY A 58 15.086 15.830 1.436 1.00 0.00 H ATOM 551 HA2 GLY A 58 15.218 15.549 3.188 1.00 0.00 H ATOM 552 H GLY A 58 16.076 13.751 1.199 1.00 0.00 H ATOM 553 N GLN A 59 12.691 14.264 1.533 1.00 42.46 N ATOM 554 CA GLN A 59 11.261 14.056 1.594 1.00 42.81 C ATOM 555 C GLN A 59 10.867 13.424 2.909 1.00 43.74 C ATOM 556 O GLN A 59 9.826 13.757 3.498 1.00 44.42 O ATOM 557 CB GLN A 59 10.846 13.110 0.461 1.00 43.40 C ATOM 558 CG GLN A 59 11.085 13.671 -0.937 1.00 43.94 C ATOM 559 CD GLN A 59 10.259 14.896 -1.201 1.00 43.24 C ATOM 560 OE1 GLN A 59 10.791 16.000 -1.393 1.00 42.85 O ATOM 561 NE2 GLN A 59 8.947 14.724 -1.163 1.00 44.18 N ATOM 562 HA GLN A 59 10.765 15.022 1.498 1.00 0.00 H ATOM 563 HB2 GLN A 59 11.414 12.185 0.561 1.00 0.00 H ATOM 564 HB3 GLN A 59 9.783 12.895 0.567 1.00 0.00 H ATOM 565 HG2 GLN A 59 12.139 13.929 -1.037 1.00 0.00 H ATOM 566 HG3 GLN A 59 10.828 12.908 -1.671 1.00 0.00 H ATOM 567 HE22 GLN A 59 8.551 13.776 -0.999 1.00 0.00 H ATOM 568 HE21 GLN A 59 8.312 15.537 -1.298 1.00 0.00 H ATOM 569 H GLN A 59 13.245 13.746 0.822 1.00 0.00 H ATOM 570 N TYR A 60 11.666 12.450 3.342 1.00 44.24 N ATOM 571 CA TYR A 60 11.467 11.810 4.644 1.00 44.07 C ATOM 572 C TYR A 60 11.589 12.859 5.753 1.00 43.63 C ATOM 573 O TYR A 60 10.723 12.969 6.598 1.00 42.22 O ATOM 574 CB TYR A 60 12.481 10.677 4.822 1.00 44.18 C ATOM 575 CG TYR A 60 12.404 10.007 6.161 1.00 45.09 C ATOM 576 CD1 TYR A 60 11.512 8.977 6.390 1.00 44.20 C ATOM 577 CD2 TYR A 60 13.215 10.441 7.225 1.00 46.93 C ATOM 578 CE1 TYR A 60 11.430 8.386 7.611 1.00 45.30 C ATOM 579 CE2 TYR A 60 13.139 9.865 8.451 1.00 46.38 C ATOM 580 CZ TYR A 60 12.252 8.831 8.656 1.00 47.01 C ATOM 581 OH TYR A 60 12.192 8.238 9.907 1.00 48.43 O ATOM 582 HA TYR A 60 10.469 11.376 4.699 1.00 0.00 H ATOM 583 HB3 TYR A 60 13.483 11.088 4.699 1.00 0.00 H ATOM 584 HB2 TYR A 60 12.300 9.928 4.051 1.00 0.00 H ATOM 585 HD2 TYR A 60 13.919 11.257 7.061 1.00 0.00 H ATOM 586 HE2 TYR A 60 13.773 10.217 9.265 1.00 0.00 H ATOM 587 HE1 TYR A 60 10.728 7.569 7.777 1.00 0.00 H ATOM 588 HD1 TYR A 60 10.866 8.634 5.582 1.00 0.00 H ATOM 589 HH TYR A 60 11.943 8.918 10.582 1.00 0.00 H ATOM 590 H TYR A 60 12.453 12.135 2.739 1.00 0.00 H ATOM 591 N ILE A 61 12.664 13.632 5.707 1.00 44.54 N ATOM 592 CA ILE A 61 12.933 14.698 6.674 1.00 45.47 C ATOM 593 C ILE A 61 11.751 15.663 6.742 1.00 47.75 C ATOM 594 O ILE A 61 11.303 16.042 7.832 1.00 48.37 O ATOM 595 CB ILE A 61 14.154 15.506 6.273 1.00 44.94 C ATOM 596 CG1 ILE A 61 15.427 14.651 6.361 1.00 43.94 C ATOM 597 CG2 ILE A 61 14.290 16.719 7.155 1.00 44.95 C ATOM 598 CD1 ILE A 61 16.710 15.351 5.854 1.00 40.74 C ATOM 599 HA ILE A 61 13.101 14.220 7.639 1.00 0.00 H ATOM 600 HB ILE A 61 14.023 15.829 5.240 1.00 0.00 H ATOM 601 HG12 ILE A 61 15.580 14.375 7.404 1.00 0.00 H ATOM 602 HG13 ILE A 61 15.274 13.750 5.767 1.00 0.00 H ATOM 603 HD11 ILE A 61 16.584 15.624 4.806 1.00 0.00 H ATOM 604 HD12 ILE A 61 16.890 16.249 6.445 1.00 0.00 H ATOM 605 HD13 ILE A 61 17.557 14.672 5.955 1.00 0.00 H ATOM 606 HG21 ILE A 61 13.401 17.342 7.054 1.00 0.00 H ATOM 607 HG22 ILE A 61 14.397 16.402 8.192 1.00 0.00 H ATOM 608 HG23 ILE A 61 15.170 17.288 6.855 1.00 0.00 H ATOM 609 H ILE A 61 13.353 13.473 4.944 1.00 0.00 H ATOM 610 N MET A 62 11.233 16.039 5.573 1.00 49.40 N ATOM 611 CA MET A 62 10.070 16.909 5.487 1.00 50.57 C ATOM 612 C MET A 62 8.848 16.248 6.033 1.00 50.93 C ATOM 613 O MET A 62 8.132 16.833 6.833 1.00 52.47 O ATOM 614 CB MET A 62 9.777 17.308 4.044 1.00 50.88 C ATOM 615 CG MET A 62 10.746 18.273 3.499 1.00 52.79 C ATOM 616 SD MET A 62 10.884 19.701 4.573 1.00 60.79 S ATOM 617 CE MET A 62 9.165 20.144 4.839 1.00 60.64 C ATOM 618 HA MET A 62 10.310 17.793 6.078 1.00 0.00 H ATOM 619 HB2 MET A 62 9.797 16.411 3.426 1.00 0.00 H ATOM 620 HB3 MET A 62 8.783 17.754 4.003 1.00 0.00 H ATOM 621 HG2 MET A 62 10.414 18.597 2.513 1.00 0.00 H ATOM 622 HG3 MET A 62 11.721 17.793 3.413 1.00 0.00 H ATOM 623 HE1 MET A 62 8.698 20.375 3.881 1.00 0.00 H ATOM 624 HE2 MET A 62 8.644 19.308 5.306 1.00 0.00 H ATOM 625 HE3 MET A 62 9.113 21.017 5.490 1.00 0.00 H ATOM 626 H MET A 62 11.674 15.700 4.694 1.00 0.00 H ATOM 627 N THR A 63 8.585 15.039 5.608 1.00 51.33 N ATOM 628 CA THR A 63 7.339 14.393 6.006 1.00 51.92 C ATOM 629 C THR A 63 7.335 13.831 7.434 1.00 52.46 C ATOM 630 O THR A 63 6.265 13.517 7.965 1.00 53.19 O ATOM 631 CB THR A 63 6.946 13.307 4.980 1.00 51.54 C ATOM 632 OG1 THR A 63 7.975 12.339 4.912 1.00 50.44 O ATOM 633 CG2 THR A 63 6.787 13.932 3.594 1.00 52.03 C ATOM 634 HA THR A 63 6.587 15.182 6.014 1.00 0.00 H ATOM 635 HB THR A 63 6.007 12.850 5.291 1.00 0.00 H ATOM 636 HG1 THR A 63 8.818 12.775 4.630 1.00 0.00 H ATOM 637 HG23 THR A 63 5.997 14.683 3.624 1.00 0.00 H ATOM 638 HG21 THR A 63 7.725 14.402 3.299 1.00 0.00 H ATOM 639 HG22 THR A 63 6.526 13.156 2.875 1.00 0.00 H ATOM 640 H THR A 63 9.259 14.542 4.991 1.00 0.00 H ATOM 641 N LYS A 64 8.501 13.681 8.048 1.00 53.21 N ATOM 642 CA LYS A 64 8.582 13.301 9.479 1.00 54.30 C ATOM 643 C LYS A 64 8.756 14.525 10.389 1.00 55.03 C ATOM 644 O LYS A 64 8.854 14.365 11.604 1.00 55.04 O ATOM 645 CB LYS A 64 9.761 12.365 9.756 1.00 54.07 C ATOM 646 CG LYS A 64 9.695 11.017 9.104 1.00 55.04 C ATOM 647 CD LYS A 64 9.285 9.913 10.046 1.00 56.09 C ATOM 648 CE LYS A 64 7.800 9.995 10.340 1.00 57.70 C ATOM 649 NZ LYS A 64 7.251 8.703 10.854 1.00 58.21 N ATOM 650 HA LYS A 64 7.640 12.798 9.696 1.00 0.00 H ATOM 651 HB2 LYS A 64 10.669 12.859 9.410 1.00 0.00 H ATOM 652 HB3 LYS A 64 9.820 12.212 10.834 1.00 0.00 H ATOM 653 HG2 LYS A 64 8.972 11.062 8.290 1.00 0.00 H ATOM 654 HG3 LYS A 64 10.680 10.780 8.701 1.00 0.00 H ATOM 655 HD2 LYS A 64 9.509 8.949 9.589 1.00 0.00 H ATOM 656 HD3 LYS A 64 9.842 10.010 10.978 1.00 0.00 H ATOM 657 HE2 LYS A 64 7.275 10.259 9.422 1.00 0.00 H ATOM 658 HE3 LYS A 64 7.633 10.770 11.088 1.00 0.00 H ATOM 659 HZ1 LYS A 64 7.399 7.958 10.144 1.00 0.00 H ATOM 660 HZ2 LYS A 64 7.741 8.446 11.735 1.00 0.00 H ATOM 661 HZ3 LYS A 64 6.233 8.810 11.040 1.00 0.00 H ATOM 662 H LYS A 64 9.380 13.834 7.513 1.00 0.00 H ATOM 663 N ARG A 65 8.831 15.727 9.805 1.00 56.11 N ATOM 664 CA ARG A 65 9.004 16.968 10.566 1.00 56.89 C ATOM 665 C ARG A 65 10.313 16.984 11.346 1.00 56.55 C ATOM 666 O ARG A 65 10.318 17.270 12.537 1.00 56.15 O ATOM 667 CB ARG A 65 7.803 17.171 11.510 1.00 57.55 C ATOM 668 CG ARG A 65 6.737 18.072 10.941 1.00 60.84 C ATOM 669 CD ARG A 65 5.289 17.510 11.066 1.00 66.05 C ATOM 670 NE ARG A 65 4.420 18.235 12.012 1.00 70.99 N ATOM 671 CZ ARG A 65 4.319 19.563 12.140 1.00 74.87 C ATOM 672 NH1 ARG A 65 5.013 20.408 11.367 1.00 77.53 N ATOM 673 NH2 ARG A 65 3.499 20.068 13.057 1.00 75.81 N ATOM 674 HA ARG A 65 9.049 17.794 9.856 1.00 0.00 H ATOM 675 HB2 ARG A 65 7.358 16.198 11.717 1.00 0.00 H ATOM 676 HB3 ARG A 65 8.165 17.609 12.440 1.00 0.00 H ATOM 677 HG2 ARG A 65 6.780 19.026 11.466 1.00 0.00 H ATOM 678 HG3 ARG A 65 6.952 18.231 9.884 1.00 0.00 H ATOM 679 HD2 ARG A 65 5.355 16.473 11.394 1.00 0.00 H ATOM 680 HD3 ARG A 65 4.824 17.549 10.081 1.00 0.00 H ATOM 681 HE ARG A 65 3.827 17.657 12.642 1.00 0.00 H ATOM 682 HH12 ARG A 65 4.909 21.435 11.495 1.00 0.00 H ATOM 683 HH11 ARG A 65 5.656 20.037 10.638 1.00 0.00 H ATOM 684 HH22 ARG A 65 3.412 21.099 13.166 1.00 0.00 H ATOM 685 HH21 ARG A 65 2.945 19.432 13.665 1.00 0.00 H ATOM 686 H ARG A 65 8.764 15.783 8.769 1.00 0.00 H ATOM 687 N LEU A 66 11.424 16.694 10.669 1.00 56.61 N ATOM 688 CA LEU A 66 12.730 16.610 11.336 1.00 56.91 C ATOM 689 C LEU A 66 13.497 17.908 11.288 1.00 57.93 C ATOM 690 O LEU A 66 14.521 18.054 11.933 1.00 57.57 O ATOM 691 CB LEU A 66 13.582 15.476 10.745 1.00 56.16 C ATOM 692 CG LEU A 66 13.012 14.086 11.020 1.00 55.18 C ATOM 693 CD1 LEU A 66 13.873 12.993 10.402 1.00 50.97 C ATOM 694 CD2 LEU A 66 12.768 13.842 12.522 1.00 52.51 C ATOM 695 HA LEU A 66 12.521 16.394 12.384 1.00 0.00 H ATOM 696 HB2 LEU A 66 13.646 15.617 9.666 1.00 0.00 H ATOM 697 HB3 LEU A 66 14.581 15.532 11.177 1.00 0.00 H ATOM 698 HG LEU A 66 12.037 14.044 10.534 1.00 0.00 H ATOM 699 HD21 LEU A 66 13.711 13.934 13.062 1.00 0.00 H ATOM 700 HD22 LEU A 66 12.059 14.579 12.898 1.00 0.00 H ATOM 701 HD23 LEU A 66 12.363 12.840 12.665 1.00 0.00 H ATOM 702 HD11 LEU A 66 13.922 13.137 9.323 1.00 0.00 H ATOM 703 HD12 LEU A 66 14.877 13.042 10.822 1.00 0.00 H ATOM 704 HD13 LEU A 66 13.434 12.019 10.620 1.00 0.00 H ATOM 705 H LEU A 66 11.365 16.523 9.645 1.00 0.00 H ATOM 706 N TYR A 67 13.000 18.865 10.535 1.00 59.93 N ATOM 707 CA TYR A 67 13.689 20.144 10.425 1.00 61.79 C ATOM 708 C TYR A 67 13.199 21.090 11.501 1.00 62.95 C ATOM 709 O TYR A 67 12.111 20.907 12.048 1.00 63.45 O ATOM 710 CB TYR A 67 13.497 20.747 9.040 1.00 61.90 C ATOM 711 CG TYR A 67 12.060 21.036 8.678 1.00 63.11 C ATOM 712 CD1 TYR A 67 11.566 22.339 8.695 1.00 63.95 C ATOM 713 CD2 TYR A 67 11.200 20.010 8.302 1.00 64.10 C ATOM 714 CE1 TYR A 67 10.248 22.621 8.350 1.00 64.60 C ATOM 715 CE2 TYR A 67 9.873 20.268 7.969 1.00 65.59 C ATOM 716 CZ TYR A 67 9.394 21.581 7.991 1.00 66.33 C ATOM 717 OH TYR A 67 8.071 21.838 7.636 1.00 67.14 O ATOM 718 HA TYR A 67 14.757 19.979 10.568 1.00 0.00 H ATOM 719 HB3 TYR A 67 13.900 20.050 8.306 1.00 0.00 H ATOM 720 HB2 TYR A 67 14.055 21.682 8.995 1.00 0.00 H ATOM 721 HD2 TYR A 67 11.571 18.986 8.267 1.00 0.00 H ATOM 722 HE2 TYR A 67 9.210 19.449 7.692 1.00 0.00 H ATOM 723 HE1 TYR A 67 9.886 23.649 8.361 1.00 0.00 H ATOM 724 HD1 TYR A 67 12.227 23.156 8.985 1.00 0.00 H ATOM 725 HH TYR A 67 7.895 22.810 7.704 1.00 0.00 H ATOM 726 H TYR A 67 12.112 18.708 10.016 1.00 0.00 H ATOM 727 N ASP A 68 14.007 22.081 11.851 1.00 64.28 N ATOM 728 CA ASP A 68 13.493 23.113 12.730 1.00 65.53 C ATOM 729 C ASP A 68 13.087 24.299 11.885 1.00 66.43 C ATOM 730 O ASP A 68 13.921 24.857 11.152 1.00 66.84 O ATOM 731 CB ASP A 68 14.517 23.540 13.764 1.00 65.47 C ATOM 732 CG ASP A 68 13.955 24.565 14.750 1.00 66.37 C ATOM 733 OD1 ASP A 68 14.701 25.507 15.125 1.00 66.79 O ATOM 734 OD2 ASP A 68 12.764 24.426 15.144 1.00 65.56 O ATOM 735 HA ASP A 68 12.637 22.714 13.274 1.00 0.00 H ATOM 736 HB2 ASP A 68 14.842 22.660 14.320 1.00 0.00 H ATOM 737 HB3 ASP A 68 15.372 23.980 13.250 1.00 0.00 H ATOM 738 H ASP A 68 14.986 22.117 11.503 1.00 0.00 H ATOM 739 N GLU A 69 11.813 24.684 11.990 1.00 67.19 N ATOM 740 CA GLU A 69 11.294 25.843 11.252 1.00 67.89 C ATOM 741 C GLU A 69 11.992 27.168 11.659 1.00 67.84 C ATOM 742 O GLU A 69 12.080 28.105 10.857 1.00 68.15 O ATOM 743 CB GLU A 69 9.759 25.915 11.363 1.00 68.17 C ATOM 744 CG GLU A 69 9.175 26.596 12.645 1.00 70.58 C ATOM 745 CD GLU A 69 9.299 25.761 13.938 1.00 72.45 C ATOM 746 OE1 GLU A 69 8.573 26.083 14.910 1.00 73.64 O ATOM 747 OE2 GLU A 69 10.112 24.802 13.988 1.00 73.57 O ATOM 748 HA GLU A 69 11.537 25.703 10.199 1.00 0.00 H ATOM 749 HB2 GLU A 69 9.391 26.468 10.499 1.00 0.00 H ATOM 750 HB3 GLU A 69 9.377 24.895 11.329 1.00 0.00 H ATOM 751 HG2 GLU A 69 9.701 27.538 12.798 1.00 0.00 H ATOM 752 HG3 GLU A 69 8.118 26.796 12.471 1.00 0.00 H ATOM 753 H GLU A 69 11.172 24.150 12.610 1.00 0.00 H ATOM 754 N LYS A 70 12.524 27.220 12.878 1.00 67.69 N ATOM 755 CA LYS A 70 13.233 28.403 13.384 1.00 67.83 C ATOM 756 C LYS A 70 14.792 28.374 13.325 1.00 67.63 C ATOM 757 O LYS A 70 15.440 29.378 13.647 1.00 67.60 O ATOM 758 CB LYS A 70 12.740 28.702 14.800 1.00 67.83 C ATOM 759 CG LYS A 70 11.308 29.226 14.799 1.00 68.65 C ATOM 760 CD LYS A 70 10.745 29.514 16.204 1.00 69.20 C ATOM 761 CE LYS A 70 9.859 28.374 16.743 1.00 69.80 C ATOM 762 NZ LYS A 70 10.584 27.387 17.614 1.00 71.28 N ATOM 763 HA LYS A 70 12.985 29.205 12.689 1.00 0.00 H ATOM 764 HB2 LYS A 70 12.781 27.786 15.390 1.00 0.00 H ATOM 765 HB3 LYS A 70 13.391 29.452 15.250 1.00 0.00 H ATOM 766 HG2 LYS A 70 11.282 30.151 14.223 1.00 0.00 H ATOM 767 HG3 LYS A 70 10.671 28.482 14.320 1.00 0.00 H ATOM 768 HD2 LYS A 70 11.580 29.660 16.890 1.00 0.00 H ATOM 769 HD3 LYS A 70 10.149 30.426 16.160 1.00 0.00 H ATOM 770 HE2 LYS A 70 9.440 27.836 15.893 1.00 0.00 H ATOM 771 HE3 LYS A 70 9.051 28.816 17.326 1.00 0.00 H ATOM 772 HZ1 LYS A 70 11.352 26.945 17.070 1.00 0.00 H ATOM 773 HZ2 LYS A 70 10.981 27.881 18.439 1.00 0.00 H ATOM 774 HZ3 LYS A 70 9.919 26.655 17.934 1.00 0.00 H ATOM 775 H LYS A 70 12.434 26.389 13.497 1.00 0.00 H ATOM 776 N GLN A 71 15.371 27.238 12.922 1.00 67.35 N ATOM 777 CA GLN A 71 16.812 27.109 12.590 1.00 66.98 C ATOM 778 C GLN A 71 16.973 27.007 11.064 1.00 66.42 C ATOM 779 O GLN A 71 18.027 27.363 10.486 1.00 66.73 O ATOM 780 CB GLN A 71 17.408 25.841 13.224 1.00 67.26 C ATOM 781 CG GLN A 71 17.641 25.888 14.735 1.00 67.92 C ATOM 782 CD GLN A 71 19.052 26.323 15.087 1.00 69.64 C ATOM 783 OE1 GLN A 71 19.700 27.030 14.313 1.00 71.12 O ATOM 784 NE2 GLN A 71 19.541 25.891 16.254 1.00 71.43 N ATOM 785 HA GLN A 71 17.333 27.984 12.978 1.00 0.00 H ATOM 786 HB2 GLN A 71 16.728 25.014 13.017 1.00 0.00 H ATOM 787 HB3 GLN A 71 18.368 25.649 12.745 1.00 0.00 H ATOM 788 HG2 GLN A 71 16.936 26.592 15.177 1.00 0.00 H ATOM 789 HG3 GLN A 71 17.467 24.894 15.148 1.00 0.00 H ATOM 790 HE22 GLN A 71 18.956 25.296 16.875 1.00 0.00 H ATOM 791 HE21 GLN A 71 20.506 26.150 16.541 1.00 0.00 H ATOM 792 H GLN A 71 14.774 26.391 12.836 1.00 0.00 H ATOM 793 N GLN A 72 15.938 26.451 10.431 1.00 65.09 N ATOM 794 CA GLN A 72 15.680 26.598 8.985 1.00 63.96 C ATOM 795 C GLN A 72 16.553 25.691 8.051 1.00 62.11 C ATOM 796 O GLN A 72 16.121 25.350 6.946 1.00 62.49 O ATOM 797 CB GLN A 72 15.607 28.099 8.579 1.00 64.13 C ATOM 798 CG GLN A 72 16.604 28.576 7.514 1.00 65.10 C ATOM 799 HA GLN A 72 14.688 26.184 8.807 1.00 0.00 H ATOM 800 HB2 GLN A 72 14.603 28.290 8.201 1.00 0.00 H ATOM 801 HB3 GLN A 72 15.774 28.693 9.478 1.00 0.00 H ATOM 802 HG2 GLN A 72 17.621 28.415 7.872 1.00 0.00 H ATOM 803 HG3 GLN A 72 16.448 28.013 6.594 1.00 0.00 H ATOM 804 H GLN A 72 15.273 25.880 10.990 1.00 0.00 H ATOM 805 N HIS A 73 17.747 25.288 8.489 1.00 59.50 N ATOM 806 CA HIS A 73 18.420 24.114 7.888 1.00 56.93 C ATOM 807 C HIS A 73 19.178 23.225 8.899 1.00 53.94 C ATOM 808 O HIS A 73 20.247 22.682 8.602 1.00 53.66 O ATOM 809 CB HIS A 73 19.305 24.460 6.656 1.00 57.29 C ATOM 810 CG HIS A 73 20.060 25.746 6.747 1.00 58.25 C ATOM 811 ND1 HIS A 73 21.268 25.857 7.405 1.00 60.20 N ATOM 812 CD2 HIS A 73 19.817 26.959 6.190 1.00 60.15 C ATOM 813 CE1 HIS A 73 21.713 27.098 7.289 1.00 62.19 C ATOM 814 NE2 HIS A 73 20.850 27.788 6.559 1.00 61.69 N ATOM 815 HA HIS A 73 17.590 23.511 7.520 1.00 0.00 H ATOM 816 HB2 HIS A 73 20.028 23.655 6.524 1.00 0.00 H ATOM 817 HB3 HIS A 73 18.657 24.512 5.781 1.00 0.00 H ATOM 818 HD2 HIS A 73 18.963 27.226 5.567 1.00 0.00 H ATOM 819 HE1 HIS A 73 22.635 27.487 7.722 1.00 0.00 H ATOM 820 H HIS A 73 18.211 25.805 9.263 1.00 0.00 H ATOM 821 N ILE A 74 18.600 23.048 10.080 1.00 50.03 N ATOM 822 CA ILE A 74 19.098 22.042 11.008 1.00 47.04 C ATOM 823 C ILE A 74 18.052 20.949 11.067 1.00 44.38 C ATOM 824 O ILE A 74 16.877 21.185 11.275 1.00 43.66 O ATOM 825 CB ILE A 74 19.421 22.585 12.400 1.00 46.75 C ATOM 826 CG1 ILE A 74 20.359 23.792 12.297 1.00 46.89 C ATOM 827 CG2 ILE A 74 20.068 21.492 13.261 1.00 46.06 C ATOM 828 CD1 ILE A 74 21.724 23.493 11.655 1.00 46.92 C ATOM 829 HA ILE A 74 20.054 21.665 10.644 1.00 0.00 H ATOM 830 HB ILE A 74 18.491 22.901 12.871 1.00 0.00 H ATOM 831 HG12 ILE A 74 19.863 24.557 11.700 1.00 0.00 H ATOM 832 HG13 ILE A 74 20.533 24.174 13.303 1.00 0.00 H ATOM 833 HD11 ILE A 74 22.244 22.739 12.245 1.00 0.00 H ATOM 834 HD12 ILE A 74 21.574 23.123 10.641 1.00 0.00 H ATOM 835 HD13 ILE A 74 22.318 24.406 11.625 1.00 0.00 H ATOM 836 HG21 ILE A 74 19.380 20.652 13.357 1.00 0.00 H ATOM 837 HG22 ILE A 74 20.990 21.156 12.787 1.00 0.00 H ATOM 838 HG23 ILE A 74 20.292 21.894 14.249 1.00 0.00 H ATOM 839 H ILE A 74 17.783 23.634 10.346 1.00 0.00 H ATOM 840 N VAL A 75 18.510 19.753 10.805 1.00 41.86 N ATOM 841 CA VAL A 75 17.661 18.623 10.741 1.00 40.26 C ATOM 842 C VAL A 75 17.831 18.003 12.082 1.00 39.00 C ATOM 843 O VAL A 75 18.943 17.658 12.439 1.00 38.32 O ATOM 844 CB VAL A 75 18.103 17.668 9.603 1.00 40.31 C ATOM 845 CG1 VAL A 75 17.451 16.283 9.750 1.00 38.72 C ATOM 846 CG2 VAL A 75 17.784 18.321 8.250 1.00 38.64 C ATOM 847 HA VAL A 75 16.622 18.867 10.520 1.00 0.00 H ATOM 848 HB VAL A 75 19.179 17.503 9.663 1.00 0.00 H ATOM 849 HG11 VAL A 75 17.743 15.845 10.704 1.00 0.00 H ATOM 850 HG12 VAL A 75 16.367 16.388 9.714 1.00 0.00 H ATOM 851 HG13 VAL A 75 17.783 15.639 8.936 1.00 0.00 H ATOM 852 HG21 VAL A 75 16.712 18.505 8.181 1.00 0.00 H ATOM 853 HG22 VAL A 75 18.322 19.265 8.168 1.00 0.00 H ATOM 854 HG23 VAL A 75 18.092 17.654 7.445 1.00 0.00 H ATOM 855 H VAL A 75 19.529 19.628 10.639 1.00 0.00 H ATOM 856 N TYR A 76 16.737 17.916 12.829 1.00 37.85 N ATOM 857 CA TYR A 76 16.730 17.244 14.099 1.00 37.89 C ATOM 858 C TYR A 76 16.263 15.865 13.875 1.00 38.37 C ATOM 859 O TYR A 76 15.098 15.650 13.733 1.00 38.63 O ATOM 860 CB TYR A 76 15.842 17.981 15.105 1.00 37.46 C ATOM 861 CG TYR A 76 16.524 19.256 15.540 1.00 37.12 C ATOM 862 CD1 TYR A 76 17.587 19.220 16.444 1.00 35.84 C ATOM 863 CD2 TYR A 76 16.179 20.484 14.991 1.00 36.42 C ATOM 864 CE1 TYR A 76 18.237 20.371 16.840 1.00 34.61 C ATOM 865 CE2 TYR A 76 16.831 21.641 15.392 1.00 35.30 C ATOM 866 CZ TYR A 76 17.855 21.563 16.316 1.00 35.41 C ATOM 867 OH TYR A 76 18.524 22.687 16.689 1.00 36.03 O ATOM 868 HA TYR A 76 17.733 17.229 14.525 1.00 0.00 H ATOM 869 HB3 TYR A 76 15.672 17.345 15.974 1.00 0.00 H ATOM 870 HB2 TYR A 76 14.886 18.221 14.639 1.00 0.00 H ATOM 871 HD2 TYR A 76 15.391 20.539 14.240 1.00 0.00 H ATOM 872 HE2 TYR A 76 16.537 22.606 14.980 1.00 0.00 H ATOM 873 HE1 TYR A 76 19.049 20.323 17.566 1.00 0.00 H ATOM 874 HD1 TYR A 76 17.911 18.260 16.846 1.00 0.00 H ATOM 875 HH TYR A 76 19.220 22.451 17.353 1.00 0.00 H ATOM 876 H TYR A 76 15.856 18.348 12.484 1.00 0.00 H ATOM 877 N CYS A 77 17.182 14.920 13.806 1.00 40.05 N ATOM 878 CA CYS A 77 16.805 13.544 13.517 1.00 42.26 C ATOM 879 C CYS A 77 16.884 12.695 14.760 1.00 44.17 C ATOM 880 O CYS A 77 16.756 11.477 14.723 1.00 44.79 O ATOM 881 CB CYS A 77 17.685 12.959 12.405 1.00 42.03 C ATOM 882 SG CYS A 77 19.416 13.313 12.614 1.00 40.57 S ATOM 883 HA CYS A 77 15.772 13.543 13.169 1.00 0.00 H ATOM 884 HB2 CYS A 77 17.360 13.375 11.452 1.00 0.00 H ATOM 885 HB3 CYS A 77 17.552 11.877 12.392 1.00 0.00 H ATOM 886 HG CYS A 77 19.851 12.782 13.811 1.00 0.00 H ATOM 887 H CYS A 77 18.182 15.160 13.959 1.00 0.00 H ATOM 888 N SER A 78 17.106 13.339 15.883 1.00 46.81 N ATOM 889 CA SER A 78 17.101 12.619 17.134 1.00 48.11 C ATOM 890 C SER A 78 15.760 11.951 17.260 1.00 48.14 C ATOM 891 O SER A 78 14.733 12.484 16.788 1.00 48.86 O ATOM 892 CB SER A 78 17.319 13.574 18.312 1.00 48.80 C ATOM 893 OG SER A 78 18.226 12.997 19.236 1.00 50.94 O ATOM 894 HA SER A 78 17.908 11.886 17.149 1.00 0.00 H ATOM 895 HB2 SER A 78 16.367 13.761 18.808 1.00 0.00 H ATOM 896 HB3 SER A 78 17.727 14.516 17.944 1.00 0.00 H ATOM 897 HG SER A 78 18.363 13.618 19.994 1.00 0.00 H ATOM 898 H SER A 78 17.285 14.363 15.871 1.00 0.00 H ATOM 899 N ASN A 79 15.772 10.788 17.895 1.00 48.42 N ATOM 900 CA ASN A 79 14.560 10.044 18.156 1.00 48.63 C ATOM 901 C ASN A 79 13.810 9.828 16.828 1.00 48.26 C ATOM 902 O ASN A 79 12.682 10.272 16.665 1.00 49.68 O ATOM 903 CB ASN A 79 13.671 10.800 19.175 1.00 48.55 C ATOM 904 CG ASN A 79 14.478 11.611 20.196 1.00 49.16 C ATOM 905 OD1 ASN A 79 15.222 11.054 21.023 1.00 48.44 O ATOM 906 ND2 ASN A 79 14.303 12.936 20.159 1.00 46.12 N ATOM 907 HA ASN A 79 14.810 9.075 18.588 1.00 0.00 H ATOM 908 HB2 ASN A 79 13.019 11.481 18.628 1.00 0.00 H ATOM 909 HB3 ASN A 79 13.064 10.072 19.713 1.00 0.00 H ATOM 910 HD22 ASN A 79 13.671 13.357 19.449 1.00 0.00 H ATOM 911 HD21 ASN A 79 14.799 13.545 20.840 1.00 0.00 H ATOM 912 H ASN A 79 16.681 10.398 18.216 1.00 0.00 H ATOM 913 N ASP A 80 14.474 9.207 15.863 1.00 47.46 N ATOM 914 CA ASP A 80 13.851 8.838 14.587 1.00 46.28 C ATOM 915 C ASP A 80 14.767 7.868 13.866 1.00 44.88 C ATOM 916 O ASP A 80 15.950 7.870 14.118 1.00 44.67 O ATOM 917 CB ASP A 80 13.591 10.089 13.749 1.00 46.64 C ATOM 918 CG ASP A 80 12.981 9.777 12.389 1.00 47.72 C ATOM 919 OD1 ASP A 80 11.768 10.008 12.197 1.00 49.20 O ATOM 920 OD2 ASP A 80 13.721 9.293 11.508 1.00 50.25 O ATOM 921 HA ASP A 80 12.889 8.355 14.760 1.00 0.00 H ATOM 922 HB2 ASP A 80 12.907 10.738 14.296 1.00 0.00 H ATOM 923 HB3 ASP A 80 14.537 10.607 13.595 1.00 0.00 H ATOM 924 H ASP A 80 15.475 8.972 16.017 1.00 0.00 H ATOM 925 N LEU A 81 14.219 7.010 13.004 1.00 44.40 N ATOM 926 CA LEU A 81 15.034 6.025 12.259 1.00 43.52 C ATOM 927 C LEU A 81 16.239 6.657 11.558 1.00 42.79 C ATOM 928 O LEU A 81 17.328 6.069 11.513 1.00 42.42 O ATOM 929 CB LEU A 81 14.184 5.269 11.236 1.00 43.49 C ATOM 930 CG LEU A 81 14.901 4.495 10.108 1.00 43.49 C ATOM 931 CD1 LEU A 81 16.034 3.624 10.633 1.00 44.08 C ATOM 932 CD2 LEU A 81 13.903 3.622 9.333 1.00 42.93 C ATOM 933 HA LEU A 81 15.415 5.327 13.004 1.00 0.00 H ATOM 934 HB2 LEU A 81 13.581 4.548 11.788 1.00 0.00 H ATOM 935 HB3 LEU A 81 13.529 5.999 10.760 1.00 0.00 H ATOM 936 HG LEU A 81 15.333 5.242 9.442 1.00 0.00 H ATOM 937 HD21 LEU A 81 13.442 2.907 10.015 1.00 0.00 H ATOM 938 HD22 LEU A 81 13.133 4.256 8.893 1.00 0.00 H ATOM 939 HD23 LEU A 81 14.429 3.085 8.543 1.00 0.00 H ATOM 940 HD11 LEU A 81 16.771 4.252 11.133 1.00 0.00 H ATOM 941 HD12 LEU A 81 15.634 2.897 11.340 1.00 0.00 H ATOM 942 HD13 LEU A 81 16.505 3.102 9.800 1.00 0.00 H ATOM 943 H LEU A 81 13.191 7.034 12.851 1.00 0.00 H ATOM 944 N LEU A 82 16.039 7.854 11.014 1.00 41.86 N ATOM 945 CA LEU A 82 17.099 8.539 10.267 1.00 41.06 C ATOM 946 C LEU A 82 18.304 8.769 11.149 1.00 41.24 C ATOM 947 O LEU A 82 19.417 8.535 10.712 1.00 41.75 O ATOM 948 CB LEU A 82 16.612 9.873 9.661 1.00 39.99 C ATOM 949 CG LEU A 82 17.666 10.721 8.945 1.00 37.30 C ATOM 950 CD1 LEU A 82 18.264 10.005 7.738 1.00 36.05 C ATOM 951 CD2 LEU A 82 17.103 12.065 8.549 1.00 34.32 C ATOM 952 HA LEU A 82 17.383 7.890 9.439 1.00 0.00 H ATOM 953 HB2 LEU A 82 15.826 9.643 8.941 1.00 0.00 H ATOM 954 HB3 LEU A 82 16.197 10.473 10.471 1.00 0.00 H ATOM 955 HG LEU A 82 18.477 10.883 9.655 1.00 0.00 H ATOM 956 HD21 LEU A 82 16.256 11.919 7.878 1.00 0.00 H ATOM 957 HD22 LEU A 82 16.774 12.597 9.442 1.00 0.00 H ATOM 958 HD23 LEU A 82 17.874 12.646 8.042 1.00 0.00 H ATOM 959 HD11 LEU A 82 18.739 9.080 8.065 1.00 0.00 H ATOM 960 HD12 LEU A 82 17.473 9.776 7.024 1.00 0.00 H ATOM 961 HD13 LEU A 82 19.006 10.649 7.266 1.00 0.00 H ATOM 962 H LEU A 82 15.112 8.314 11.120 1.00 0.00 H ATOM 963 N GLY A 83 18.079 9.225 12.381 1.00 41.64 N ATOM 964 CA GLY A 83 19.169 9.483 13.322 1.00 42.09 C ATOM 965 C GLY A 83 19.889 8.223 13.725 1.00 42.61 C ATOM 966 O GLY A 83 21.104 8.198 13.841 1.00 43.49 O ATOM 967 HA3 GLY A 83 18.757 9.952 14.215 1.00 0.00 H ATOM 968 HA2 GLY A 83 19.883 10.160 12.854 1.00 0.00 H ATOM 969 H GLY A 83 17.100 9.403 12.682 1.00 0.00 H ATOM 970 N ASP A 84 19.130 7.163 13.927 1.00 43.89 N ATOM 971 CA ASP A 84 19.704 5.840 14.148 1.00 44.92 C ATOM 972 C ASP A 84 20.585 5.426 12.952 1.00 45.26 C ATOM 973 O ASP A 84 21.629 4.818 13.143 1.00 46.83 O ATOM 974 CB ASP A 84 18.594 4.801 14.366 1.00 45.33 C ATOM 975 CG ASP A 84 17.547 5.250 15.379 1.00 46.94 C ATOM 976 OD1 ASP A 84 17.845 6.168 16.171 1.00 49.28 O ATOM 977 OD2 ASP A 84 16.419 4.692 15.389 1.00 49.82 O ATOM 978 HA ASP A 84 20.325 5.883 15.043 1.00 0.00 H ATOM 979 HB2 ASP A 84 18.099 4.617 13.413 1.00 0.00 H ATOM 980 HB3 ASP A 84 19.048 3.877 14.723 1.00 0.00 H ATOM 981 H ASP A 84 18.096 7.273 13.929 1.00 0.00 H ATOM 982 N LEU A 85 20.162 5.734 11.727 1.00 44.93 N ATOM 983 CA LEU A 85 20.969 5.420 10.534 1.00 44.68 C ATOM 984 C LEU A 85 22.170 6.315 10.406 1.00 44.26 C ATOM 985 O LEU A 85 23.255 5.853 10.045 1.00 43.48 O ATOM 986 CB LEU A 85 20.143 5.558 9.252 1.00 44.32 C ATOM 987 CG LEU A 85 19.063 4.495 9.124 1.00 45.01 C ATOM 988 CD1 LEU A 85 18.787 4.273 7.689 1.00 46.52 C ATOM 989 CD2 LEU A 85 19.463 3.191 9.793 1.00 44.71 C ATOM 990 HA LEU A 85 21.299 4.389 10.664 1.00 0.00 H ATOM 991 HB2 LEU A 85 19.668 6.539 9.249 1.00 0.00 H ATOM 992 HB3 LEU A 85 20.813 5.478 8.396 1.00 0.00 H ATOM 993 HG LEU A 85 18.166 4.848 9.633 1.00 0.00 H ATOM 994 HD21 LEU A 85 20.372 2.810 9.328 1.00 0.00 H ATOM 995 HD22 LEU A 85 19.642 3.368 10.853 1.00 0.00 H ATOM 996 HD23 LEU A 85 18.661 2.463 9.675 1.00 0.00 H ATOM 997 HD11 LEU A 85 18.447 5.205 7.237 1.00 0.00 H ATOM 998 HD12 LEU A 85 19.698 3.939 7.193 1.00 0.00 H ATOM 999 HD13 LEU A 85 18.014 3.512 7.583 1.00 0.00 H ATOM 1000 H LEU A 85 19.243 6.206 11.610 1.00 0.00 H ATOM 1001 N PHE A 86 21.952 7.601 10.685 1.00 43.73 N ATOM 1002 CA PHE A 86 22.996 8.609 10.575 1.00 43.86 C ATOM 1003 C PHE A 86 23.922 8.692 11.771 1.00 43.77 C ATOM 1004 O PHE A 86 25.019 9.272 11.664 1.00 43.96 O ATOM 1005 CB PHE A 86 22.351 9.969 10.348 1.00 44.22 C ATOM 1006 CG PHE A 86 21.996 10.249 8.914 1.00 43.51 C ATOM 1007 CD1 PHE A 86 22.139 9.281 7.917 1.00 42.77 C ATOM 1008 CD2 PHE A 86 21.514 11.498 8.565 1.00 43.72 C ATOM 1009 CE1 PHE A 86 21.817 9.574 6.597 1.00 42.86 C ATOM 1010 CE2 PHE A 86 21.185 11.797 7.252 1.00 44.07 C ATOM 1011 CZ PHE A 86 21.342 10.824 6.264 1.00 43.52 C ATOM 1012 HA PHE A 86 23.619 8.308 9.733 1.00 0.00 H ATOM 1013 HB2 PHE A 86 21.439 10.019 10.943 1.00 0.00 H ATOM 1014 HB3 PHE A 86 23.046 10.738 10.685 1.00 0.00 H ATOM 1015 HD2 PHE A 86 21.391 12.259 9.335 1.00 0.00 H ATOM 1016 HE2 PHE A 86 20.806 12.786 6.993 1.00 0.00 H ATOM 1017 HZ PHE A 86 21.089 11.053 5.229 1.00 0.00 H ATOM 1018 HE1 PHE A 86 21.940 8.815 5.825 1.00 0.00 H ATOM 1019 HD1 PHE A 86 22.506 8.288 8.176 1.00 0.00 H ATOM 1020 H PHE A 86 21.002 7.894 10.992 1.00 0.00 H ATOM 1021 N GLY A 87 23.483 8.143 12.909 1.00 43.70 N ATOM 1022 CA GLY A 87 24.293 8.130 14.154 1.00 43.19 C ATOM 1023 C GLY A 87 24.541 9.514 14.750 1.00 42.40 C ATOM 1024 O GLY A 87 25.608 9.805 15.265 1.00 42.59 O ATOM 1025 HA3 GLY A 87 25.258 7.675 13.930 1.00 0.00 H ATOM 1026 HA2 GLY A 87 23.771 7.526 14.896 1.00 0.00 H ATOM 1027 H GLY A 87 22.538 7.709 12.923 1.00 0.00 H ATOM 1028 N VAL A 88 23.545 10.378 14.668 1.00 41.47 N ATOM 1029 CA VAL A 88 23.714 11.742 15.070 1.00 40.51 C ATOM 1030 C VAL A 88 22.325 12.289 15.419 1.00 40.02 C ATOM 1031 O VAL A 88 21.321 11.833 14.878 1.00 39.56 O ATOM 1032 CB VAL A 88 24.400 12.597 13.955 1.00 40.89 C ATOM 1033 CG1 VAL A 88 25.829 12.154 13.720 1.00 39.46 C ATOM 1034 CG2 VAL A 88 23.580 12.573 12.679 1.00 40.09 C ATOM 1035 HA VAL A 88 24.375 11.797 15.935 1.00 0.00 H ATOM 1036 HB VAL A 88 24.443 13.631 14.297 1.00 0.00 H ATOM 1037 HG11 VAL A 88 26.399 12.266 14.642 1.00 0.00 H ATOM 1038 HG12 VAL A 88 25.838 11.109 13.410 1.00 0.00 H ATOM 1039 HG13 VAL A 88 26.275 12.770 12.939 1.00 0.00 H ATOM 1040 HG21 VAL A 88 23.487 11.545 12.328 1.00 0.00 H ATOM 1041 HG22 VAL A 88 22.589 12.982 12.878 1.00 0.00 H ATOM 1042 HG23 VAL A 88 24.077 13.175 11.918 1.00 0.00 H ATOM 1043 H VAL A 88 22.623 10.062 14.305 1.00 0.00 H ATOM 1044 N PRO A 89 22.263 13.237 16.364 1.00 39.09 N ATOM 1045 CA PRO A 89 20.972 13.748 16.798 1.00 38.83 C ATOM 1046 C PRO A 89 20.475 14.882 15.896 1.00 37.57 C ATOM 1047 O PRO A 89 19.258 15.166 15.839 1.00 36.48 O ATOM 1048 CB PRO A 89 21.257 14.230 18.226 1.00 39.08 C ATOM 1049 CG PRO A 89 22.688 14.688 18.165 1.00 39.67 C ATOM 1050 CD PRO A 89 23.380 13.883 17.075 1.00 39.25 C ATOM 1051 HA PRO A 89 20.178 13.002 16.752 1.00 0.00 H ATOM 1052 HD3 PRO A 89 23.943 14.535 16.407 1.00 0.00 H ATOM 1053 HD2 PRO A 89 24.051 13.139 17.505 1.00 0.00 H ATOM 1054 HG3 PRO A 89 23.176 14.513 19.124 1.00 0.00 H ATOM 1055 HG2 PRO A 89 22.729 15.751 17.926 1.00 0.00 H ATOM 1056 HB2 PRO A 89 20.596 15.053 18.499 1.00 0.00 H ATOM 1057 HB3 PRO A 89 21.138 13.417 18.943 1.00 0.00 H ATOM 1058 N SER A 90 21.407 15.484 15.176 1.00 36.16 N ATOM 1059 CA SER A 90 21.079 16.550 14.267 1.00 35.72 C ATOM 1060 C SER A 90 22.305 16.882 13.418 1.00 35.07 C ATOM 1061 O SER A 90 23.418 16.437 13.720 1.00 34.09 O ATOM 1062 CB SER A 90 20.623 17.797 15.042 1.00 35.41 C ATOM 1063 OG SER A 90 21.664 18.268 15.872 1.00 34.76 O ATOM 1064 HA SER A 90 20.262 16.230 13.621 1.00 0.00 H ATOM 1065 HB2 SER A 90 19.760 17.542 15.657 1.00 0.00 H ATOM 1066 HB3 SER A 90 20.346 18.579 14.335 1.00 0.00 H ATOM 1067 HG SER A 90 21.355 19.070 16.364 1.00 0.00 H ATOM 1068 H SER A 90 22.397 15.181 15.269 1.00 0.00 H ATOM 1069 N PHE A 91 22.072 17.670 12.373 1.00 34.85 N ATOM 1070 CA PHE A 91 23.107 18.082 11.450 1.00 35.25 C ATOM 1071 C PHE A 91 22.566 19.239 10.597 1.00 37.02 C ATOM 1072 O PHE A 91 21.341 19.428 10.458 1.00 37.99 O ATOM 1073 CB PHE A 91 23.576 16.886 10.585 1.00 34.86 C ATOM 1074 CG PHE A 91 22.499 16.286 9.711 1.00 32.87 C ATOM 1075 CD1 PHE A 91 22.201 16.824 8.465 1.00 32.08 C ATOM 1076 CD2 PHE A 91 21.788 15.184 10.129 1.00 31.79 C ATOM 1077 CE1 PHE A 91 21.191 16.265 7.665 1.00 31.68 C ATOM 1078 CE2 PHE A 91 20.793 14.648 9.354 1.00 30.36 C ATOM 1079 CZ PHE A 91 20.492 15.186 8.119 1.00 30.50 C ATOM 1080 HA PHE A 91 23.984 18.430 11.996 1.00 0.00 H ATOM 1081 HB2 PHE A 91 24.386 17.228 9.941 1.00 0.00 H ATOM 1082 HB3 PHE A 91 23.947 16.108 11.252 1.00 0.00 H ATOM 1083 HD2 PHE A 91 22.020 14.730 11.092 1.00 0.00 H ATOM 1084 HE2 PHE A 91 20.233 13.787 9.717 1.00 0.00 H ATOM 1085 HZ PHE A 91 19.700 14.751 7.510 1.00 0.00 H ATOM 1086 HE1 PHE A 91 20.967 16.691 6.687 1.00 0.00 H ATOM 1087 HD1 PHE A 91 22.757 17.689 8.105 1.00 0.00 H ATOM 1088 H PHE A 91 21.101 18.006 12.212 1.00 0.00 H ATOM 1089 N SER A 92 23.456 20.048 10.058 1.00 38.39 N ATOM 1090 CA SER A 92 23.049 21.078 9.100 1.00 39.70 C ATOM 1091 C SER A 92 22.924 20.484 7.673 1.00 40.66 C ATOM 1092 O SER A 92 23.745 19.704 7.245 1.00 40.53 O ATOM 1093 CB SER A 92 24.076 22.219 9.084 1.00 39.79 C ATOM 1094 OG SER A 92 23.786 23.138 8.049 1.00 40.18 O ATOM 1095 HA SER A 92 22.077 21.463 9.410 1.00 0.00 H ATOM 1096 HB2 SER A 92 25.071 21.803 8.925 1.00 0.00 H ATOM 1097 HB3 SER A 92 24.049 22.738 10.042 1.00 0.00 H ATOM 1098 HG SER A 92 24.459 23.864 8.056 1.00 0.00 H ATOM 1099 H SER A 92 24.459 19.954 10.316 1.00 0.00 H ATOM 1100 N VAL A 93 21.919 20.893 6.922 1.00 42.35 N ATOM 1101 CA VAL A 93 21.873 20.513 5.526 1.00 43.90 C ATOM 1102 C VAL A 93 22.982 21.182 4.726 1.00 44.46 C ATOM 1103 O VAL A 93 23.179 20.824 3.574 1.00 45.27 O ATOM 1104 CB VAL A 93 20.576 20.874 4.860 1.00 43.95 C ATOM 1105 CG1 VAL A 93 19.421 20.448 5.731 1.00 45.18 C ATOM 1106 CG2 VAL A 93 20.562 22.354 4.550 1.00 44.81 C ATOM 1107 HA VAL A 93 21.992 19.429 5.531 1.00 0.00 H ATOM 1108 HB VAL A 93 20.473 20.345 3.913 1.00 0.00 H ATOM 1109 HG11 VAL A 93 19.461 19.370 5.884 1.00 0.00 H ATOM 1110 HG12 VAL A 93 19.487 20.955 6.693 1.00 0.00 H ATOM 1111 HG13 VAL A 93 18.483 20.712 5.243 1.00 0.00 H ATOM 1112 HG21 VAL A 93 20.665 22.919 5.477 1.00 0.00 H ATOM 1113 HG22 VAL A 93 21.391 22.592 3.884 1.00 0.00 H ATOM 1114 HG23 VAL A 93 19.620 22.614 4.067 1.00 0.00 H ATOM 1115 H VAL A 93 21.166 21.483 7.330 1.00 0.00 H ATOM 1116 N LYS A 94 23.674 22.158 5.323 1.00 44.87 N ATOM 1117 CA LYS A 94 24.875 22.773 4.735 1.00 44.76 C ATOM 1118 C LYS A 94 26.109 21.926 4.826 1.00 44.25 C ATOM 1119 O LYS A 94 27.106 22.278 4.200 1.00 44.59 O ATOM 1120 CB LYS A 94 25.244 24.087 5.449 1.00 45.05 C ATOM 1121 CG LYS A 94 24.188 25.160 5.355 1.00 47.71 C ATOM 1122 CD LYS A 94 24.711 26.501 5.883 1.00 51.37 C ATOM 1123 CE LYS A 94 25.782 27.130 4.970 1.00 52.65 C ATOM 1124 NZ LYS A 94 25.995 28.575 5.326 1.00 53.57 N ATOM 1125 HA LYS A 94 24.596 22.919 3.691 1.00 0.00 H ATOM 1126 HB2 LYS A 94 25.415 23.867 6.503 1.00 0.00 H ATOM 1127 HB3 LYS A 94 26.162 24.471 5.005 1.00 0.00 H ATOM 1128 HG2 LYS A 94 23.893 25.279 4.312 1.00 0.00 H ATOM 1129 HG3 LYS A 94 23.322 24.859 5.944 1.00 0.00 H ATOM 1130 HD2 LYS A 94 23.873 27.193 5.965 1.00 0.00 H ATOM 1131 HD3 LYS A 94 25.146 26.341 6.870 1.00 0.00 H ATOM 1132 HE2 LYS A 94 25.455 27.060 3.932 1.00 0.00 H ATOM 1133 HE3 LYS A 94 26.720 26.588 5.091 1.00 0.00 H ATOM 1134 HZ1 LYS A 94 25.102 29.095 5.208 1.00 0.00 H ATOM 1135 HZ2 LYS A 94 26.310 28.644 6.315 1.00 0.00 H ATOM 1136 HZ3 LYS A 94 26.720 28.982 4.701 1.00 0.00 H ATOM 1137 H LYS A 94 23.347 22.500 6.249 1.00 0.00 H ATOM 1138 N GLU A 95 26.107 20.874 5.647 1.00 43.42 N ATOM 1139 CA GLU A 95 27.290 20.025 5.748 1.00 43.32 C ATOM 1140 C GLU A 95 27.191 18.890 4.744 1.00 42.96 C ATOM 1141 O GLU A 95 26.738 17.784 5.067 1.00 43.50 O ATOM 1142 CB GLU A 95 27.472 19.463 7.154 1.00 43.41 C ATOM 1143 CG GLU A 95 27.488 20.513 8.259 1.00 45.04 C ATOM 1144 CD GLU A 95 27.156 19.909 9.622 1.00 46.13 C ATOM 1145 OE1 GLU A 95 26.017 19.423 9.845 1.00 47.27 O ATOM 1146 OE2 GLU A 95 28.060 19.909 10.469 1.00 47.56 O ATOM 1147 HA GLU A 95 28.162 20.641 5.527 1.00 0.00 H ATOM 1148 HB2 GLU A 95 26.653 18.772 7.353 1.00 0.00 H ATOM 1149 HB3 GLU A 95 28.418 18.922 7.185 1.00 0.00 H ATOM 1150 HG2 GLU A 95 28.480 20.962 8.304 1.00 0.00 H ATOM 1151 HG3 GLU A 95 26.752 21.282 8.025 1.00 0.00 H ATOM 1152 H GLU A 95 25.263 20.659 6.215 1.00 0.00 H ATOM 1153 N HIS A 96 27.649 19.156 3.531 1.00 42.37 N ATOM 1154 CA HIS A 96 27.402 18.230 2.411 1.00 41.66 C ATOM 1155 C HIS A 96 28.181 16.918 2.553 1.00 39.95 C ATOM 1156 O HIS A 96 27.661 15.850 2.277 1.00 39.05 O ATOM 1157 CB HIS A 96 27.720 18.921 1.098 1.00 41.26 C ATOM 1158 CG HIS A 96 26.787 20.031 0.763 1.00 41.79 C ATOM 1159 ND1 HIS A 96 27.177 21.349 0.748 1.00 46.33 N ATOM 1160 CD2 HIS A 96 25.490 20.023 0.370 1.00 45.87 C ATOM 1161 CE1 HIS A 96 26.158 22.112 0.379 1.00 46.97 C ATOM 1162 NE2 HIS A 96 25.118 21.331 0.145 1.00 45.95 N ATOM 1163 HA HIS A 96 26.346 17.959 2.426 1.00 0.00 H ATOM 1164 HB2 HIS A 96 28.730 19.327 1.158 1.00 0.00 H ATOM 1165 HB3 HIS A 96 27.674 18.180 0.300 1.00 0.00 H ATOM 1166 HD2 HIS A 96 24.857 19.143 0.253 1.00 0.00 H ATOM 1167 HE1 HIS A 96 26.175 23.198 0.285 1.00 0.00 H ATOM 1168 H HIS A 96 28.190 20.029 3.366 1.00 0.00 H ATOM 1169 N ARG A 97 29.405 17.031 3.041 1.00 38.73 N ATOM 1170 CA ARG A 97 30.282 15.898 3.217 1.00 38.29 C ATOM 1171 C ARG A 97 29.849 15.044 4.393 1.00 38.36 C ATOM 1172 O ARG A 97 29.843 13.806 4.326 1.00 37.98 O ATOM 1173 CB ARG A 97 31.693 16.377 3.447 1.00 37.46 C ATOM 1174 CG ARG A 97 32.110 17.444 2.469 1.00 40.18 C ATOM 1175 CD ARG A 97 33.623 17.625 2.287 1.00 41.42 C ATOM 1176 NE ARG A 97 33.915 19.049 2.422 1.00 43.75 N ATOM 1177 CZ ARG A 97 34.816 19.590 3.246 1.00 46.36 C ATOM 1178 NH1 ARG A 97 35.588 18.832 4.010 1.00 49.12 N ATOM 1179 NH2 ARG A 97 34.956 20.912 3.297 1.00 44.70 N ATOM 1180 HA ARG A 97 30.234 15.292 2.312 1.00 0.00 H ATOM 1181 HB2 ARG A 97 31.764 16.782 4.457 1.00 0.00 H ATOM 1182 HB3 ARG A 97 32.370 15.529 3.348 1.00 0.00 H ATOM 1183 HG2 ARG A 97 31.683 17.194 1.498 1.00 0.00 H ATOM 1184 HG3 ARG A 97 31.698 18.393 2.812 1.00 0.00 H ATOM 1185 HD2 ARG A 97 33.924 17.275 1.299 1.00 0.00 H ATOM 1186 HD3 ARG A 97 34.160 17.061 3.050 1.00 0.00 H ATOM 1187 HE ARG A 97 33.372 19.702 1.822 1.00 0.00 H ATOM 1188 HH12 ARG A 97 36.284 19.272 4.645 1.00 0.00 H ATOM 1189 HH11 ARG A 97 35.498 17.796 3.975 1.00 0.00 H ATOM 1190 HH22 ARG A 97 35.657 21.336 3.938 1.00 0.00 H ATOM 1191 HH21 ARG A 97 34.365 21.521 2.696 1.00 0.00 H ATOM 1192 H ARG A 97 29.750 17.975 3.309 1.00 0.00 H ATOM 1193 N LYS A 98 29.475 15.710 5.477 1.00 38.67 N ATOM 1194 CA LYS A 98 29.010 15.000 6.672 1.00 38.89 C ATOM 1195 C LYS A 98 27.855 14.096 6.248 1.00 37.29 C ATOM 1196 O LYS A 98 27.860 12.909 6.489 1.00 36.87 O ATOM 1197 CB LYS A 98 28.594 16.012 7.743 1.00 39.07 C ATOM 1198 CG LYS A 98 28.147 15.429 9.077 1.00 41.96 C ATOM 1199 CD LYS A 98 28.091 16.558 10.176 1.00 44.63 C ATOM 1200 CE LYS A 98 27.428 16.098 11.498 1.00 47.47 C ATOM 1201 NZ LYS A 98 28.124 14.954 12.226 1.00 47.30 N ATOM 1202 HA LYS A 98 29.798 14.387 7.108 1.00 0.00 H ATOM 1203 HB2 LYS A 98 29.446 16.665 7.933 1.00 0.00 H ATOM 1204 HB3 LYS A 98 27.768 16.601 7.343 1.00 0.00 H ATOM 1205 HG2 LYS A 98 27.157 14.988 8.963 1.00 0.00 H ATOM 1206 HG3 LYS A 98 28.853 14.659 9.388 1.00 0.00 H ATOM 1207 HD2 LYS A 98 29.110 16.879 10.394 1.00 0.00 H ATOM 1208 HD3 LYS A 98 27.523 17.399 9.779 1.00 0.00 H ATOM 1209 HE2 LYS A 98 26.411 15.780 11.269 1.00 0.00 H ATOM 1210 HE3 LYS A 98 27.397 16.954 12.172 1.00 0.00 H ATOM 1211 HZ1 LYS A 98 28.153 14.118 11.608 1.00 0.00 H ATOM 1212 HZ2 LYS A 98 29.094 15.239 12.470 1.00 0.00 H ATOM 1213 HZ3 LYS A 98 27.599 14.727 13.095 1.00 0.00 H ATOM 1214 H LYS A 98 29.512 16.749 5.479 1.00 0.00 H ATOM 1215 N ILE A 99 26.895 14.680 5.561 1.00 36.41 N ATOM 1216 CA ILE A 99 25.730 13.968 5.132 1.00 35.74 C ATOM 1217 C ILE A 99 26.055 12.876 4.131 1.00 36.07 C ATOM 1218 O ILE A 99 25.503 11.773 4.208 1.00 36.84 O ATOM 1219 CB ILE A 99 24.779 14.888 4.474 1.00 35.51 C ATOM 1220 CG1 ILE A 99 24.080 15.737 5.543 1.00 35.63 C ATOM 1221 CG2 ILE A 99 23.779 14.042 3.627 1.00 35.48 C ATOM 1222 CD1 ILE A 99 23.638 17.114 5.075 1.00 32.68 C ATOM 1223 HA ILE A 99 25.301 13.522 6.030 1.00 0.00 H ATOM 1224 HB ILE A 99 25.289 15.576 3.800 1.00 0.00 H ATOM 1225 HG12 ILE A 99 23.198 15.195 5.884 1.00 0.00 H ATOM 1226 HG13 ILE A 99 24.769 15.867 6.377 1.00 0.00 H ATOM 1227 HD11 ILE A 99 24.508 17.680 4.743 1.00 0.00 H ATOM 1228 HD12 ILE A 99 22.935 17.007 4.249 1.00 0.00 H ATOM 1229 HD13 ILE A 99 23.155 17.639 5.899 1.00 0.00 H ATOM 1230 HG21 ILE A 99 24.330 13.475 2.876 1.00 0.00 H ATOM 1231 HG22 ILE A 99 23.242 13.355 4.281 1.00 0.00 H ATOM 1232 HG23 ILE A 99 23.069 14.707 3.134 1.00 0.00 H ATOM 1233 H ILE A 99 26.986 15.688 5.323 1.00 0.00 H ATOM 1234 N TYR A 100 26.946 13.176 3.191 1.00 35.42 N ATOM 1235 CA TYR A 100 27.371 12.195 2.224 1.00 35.13 C ATOM 1236 C TYR A 100 27.984 11.039 2.939 1.00 34.75 C ATOM 1237 O TYR A 100 27.638 9.900 2.656 1.00 35.24 O ATOM 1238 CB TYR A 100 28.348 12.793 1.189 1.00 35.36 C ATOM 1239 CG TYR A 100 27.645 13.152 -0.094 1.00 36.42 C ATOM 1240 CD1 TYR A 100 28.093 12.658 -1.321 1.00 39.09 C ATOM 1241 CD2 TYR A 100 26.485 13.930 -0.089 1.00 37.69 C ATOM 1242 CE1 TYR A 100 27.439 12.955 -2.501 1.00 36.32 C ATOM 1243 CE2 TYR A 100 25.825 14.236 -1.269 1.00 37.75 C ATOM 1244 CZ TYR A 100 26.312 13.728 -2.487 1.00 38.89 C ATOM 1245 OH TYR A 100 25.676 14.013 -3.700 1.00 39.13 O ATOM 1246 HA TYR A 100 26.499 11.854 1.665 1.00 0.00 H ATOM 1247 HB3 TYR A 100 29.127 12.061 0.973 1.00 0.00 H ATOM 1248 HB2 TYR A 100 28.801 13.691 1.608 1.00 0.00 H ATOM 1249 HD2 TYR A 100 26.093 14.302 0.857 1.00 0.00 H ATOM 1250 HE2 TYR A 100 24.935 14.866 -1.253 1.00 0.00 H ATOM 1251 HE1 TYR A 100 27.823 12.572 -3.446 1.00 0.00 H ATOM 1252 HD1 TYR A 100 28.979 12.024 -1.348 1.00 0.00 H ATOM 1253 HH TYR A 100 26.163 13.569 -4.439 1.00 0.00 H ATOM 1254 H TYR A 100 27.344 14.136 3.153 1.00 0.00 H ATOM 1255 N THR A 101 28.886 11.315 3.863 1.00 35.00 N ATOM 1256 CA THR A 101 29.463 10.265 4.675 1.00 35.53 C ATOM 1257 C THR A 101 28.380 9.400 5.335 1.00 35.89 C ATOM 1258 O THR A 101 28.462 8.172 5.337 1.00 35.10 O ATOM 1259 CB THR A 101 30.369 10.828 5.823 1.00 36.10 C ATOM 1260 OG1 THR A 101 31.630 11.274 5.292 1.00 36.81 O ATOM 1261 CG2 THR A 101 30.624 9.722 6.900 1.00 34.44 C ATOM 1262 HA THR A 101 30.064 9.669 3.988 1.00 0.00 H ATOM 1263 HB THR A 101 29.855 11.671 6.284 1.00 0.00 H ATOM 1264 HG1 THR A 101 31.472 11.988 4.625 1.00 0.00 H ATOM 1265 HG23 THR A 101 29.670 9.383 7.304 1.00 0.00 H ATOM 1266 HG21 THR A 101 31.145 8.882 6.440 1.00 0.00 H ATOM 1267 HG22 THR A 101 31.234 10.133 7.704 1.00 0.00 H ATOM 1268 H THR A 101 29.186 12.300 4.009 1.00 0.00 H ATOM 1269 N MET A 102 27.376 10.054 5.913 1.00 36.60 N ATOM 1270 CA MET A 102 26.434 9.354 6.792 1.00 36.94 C ATOM 1271 C MET A 102 25.585 8.481 5.911 1.00 37.45 C ATOM 1272 O MET A 102 25.358 7.314 6.227 1.00 37.34 O ATOM 1273 CB MET A 102 25.574 10.322 7.602 1.00 36.70 C ATOM 1274 CG MET A 102 26.354 11.150 8.653 1.00 36.23 C ATOM 1275 SD MET A 102 25.264 12.216 9.681 1.00 36.72 S ATOM 1276 CE MET A 102 25.124 13.784 8.817 1.00 35.97 C ATOM 1277 HA MET A 102 26.978 8.760 7.526 1.00 0.00 H ATOM 1278 HB2 MET A 102 25.096 11.015 6.909 1.00 0.00 H ATOM 1279 HB3 MET A 102 24.809 9.745 8.122 1.00 0.00 H ATOM 1280 HG2 MET A 102 27.071 11.785 8.133 1.00 0.00 H ATOM 1281 HG3 MET A 102 26.888 10.463 9.310 1.00 0.00 H ATOM 1282 HE1 MET A 102 26.114 14.227 8.709 1.00 0.00 H ATOM 1283 HE2 MET A 102 24.689 13.617 7.831 1.00 0.00 H ATOM 1284 HE3 MET A 102 24.484 14.456 9.388 1.00 0.00 H ATOM 1285 H MET A 102 27.258 11.073 5.740 1.00 0.00 H ATOM 1286 N ILE A 103 25.156 9.041 4.782 1.00 37.98 N ATOM 1287 CA ILE A 103 24.431 8.261 3.751 1.00 38.74 C ATOM 1288 C ILE A 103 25.225 7.027 3.263 1.00 39.86 C ATOM 1289 O ILE A 103 24.712 5.935 3.230 1.00 38.55 O ATOM 1290 CB ILE A 103 24.075 9.149 2.515 1.00 38.40 C ATOM 1291 CG1 ILE A 103 22.948 10.129 2.891 1.00 36.31 C ATOM 1292 CG2 ILE A 103 23.677 8.270 1.361 1.00 36.02 C ATOM 1293 CD1 ILE A 103 22.783 11.264 1.996 1.00 32.18 C ATOM 1294 HA ILE A 103 23.519 7.912 4.235 1.00 0.00 H ATOM 1295 HB ILE A 103 24.944 9.733 2.212 1.00 0.00 H ATOM 1296 HG12 ILE A 103 22.010 9.574 2.906 1.00 0.00 H ATOM 1297 HG13 ILE A 103 23.157 10.515 3.889 1.00 0.00 H ATOM 1298 HD11 ILE A 103 23.704 11.846 1.976 1.00 0.00 H ATOM 1299 HD12 ILE A 103 22.557 10.904 0.992 1.00 0.00 H ATOM 1300 HD13 ILE A 103 21.964 11.890 2.352 1.00 0.00 H ATOM 1301 HG21 ILE A 103 24.506 7.609 1.107 1.00 0.00 H ATOM 1302 HG22 ILE A 103 22.809 7.674 1.642 1.00 0.00 H ATOM 1303 HG23 ILE A 103 23.429 8.892 0.501 1.00 0.00 H ATOM 1304 H ILE A 103 25.334 10.053 4.619 1.00 0.00 H ATOM 1305 N TYR A 104 26.498 7.198 2.950 1.00 42.36 N ATOM 1306 CA TYR A 104 27.262 6.090 2.408 1.00 44.92 C ATOM 1307 C TYR A 104 27.501 4.991 3.385 1.00 46.20 C ATOM 1308 O TYR A 104 27.798 3.880 2.975 1.00 46.69 O ATOM 1309 CB TYR A 104 28.588 6.541 1.825 1.00 45.51 C ATOM 1310 CG TYR A 104 28.433 7.092 0.432 1.00 48.44 C ATOM 1311 CD1 TYR A 104 28.027 6.267 -0.613 1.00 51.73 C ATOM 1312 CD2 TYR A 104 28.693 8.415 0.157 1.00 50.80 C ATOM 1313 CE1 TYR A 104 27.890 6.741 -1.888 1.00 52.71 C ATOM 1314 CE2 TYR A 104 28.576 8.904 -1.116 1.00 53.39 C ATOM 1315 CZ TYR A 104 28.163 8.062 -2.147 1.00 53.92 C ATOM 1316 OH TYR A 104 28.031 8.553 -3.434 1.00 53.78 O ATOM 1317 HA TYR A 104 26.635 5.691 1.611 1.00 0.00 H ATOM 1318 HB3 TYR A 104 29.267 5.689 1.793 1.00 0.00 H ATOM 1319 HB2 TYR A 104 29.009 7.316 2.466 1.00 0.00 H ATOM 1320 HD2 TYR A 104 28.996 9.082 0.964 1.00 0.00 H ATOM 1321 HE2 TYR A 104 28.805 9.949 -1.323 1.00 0.00 H ATOM 1322 HE1 TYR A 104 27.568 6.078 -2.691 1.00 0.00 H ATOM 1323 HD1 TYR A 104 27.813 5.218 -0.410 1.00 0.00 H ATOM 1324 HH TYR A 104 27.731 7.825 -4.035 1.00 0.00 H ATOM 1325 H TYR A 104 26.950 8.124 3.092 1.00 0.00 H ATOM 1326 N ARG A 105 27.366 5.268 4.674 1.00 47.65 N ATOM 1327 CA ARG A 105 27.468 4.186 5.645 1.00 48.99 C ATOM 1328 C ARG A 105 26.295 3.235 5.458 1.00 48.76 C ATOM 1329 O ARG A 105 26.399 2.071 5.800 1.00 49.43 O ATOM 1330 CB ARG A 105 27.516 4.687 7.102 1.00 49.79 C ATOM 1331 CG ARG A 105 28.733 5.536 7.448 1.00 52.28 C ATOM 1332 CD ARG A 105 29.144 5.438 8.940 1.00 55.89 C ATOM 1333 NE ARG A 105 29.481 6.756 9.498 1.00 57.95 N ATOM 1334 CZ ARG A 105 28.595 7.610 10.024 1.00 58.76 C ATOM 1335 NH1 ARG A 105 27.303 7.317 10.096 1.00 58.32 N ATOM 1336 NH2 ARG A 105 29.010 8.778 10.490 1.00 60.89 N ATOM 1337 HA ARG A 105 28.411 3.671 5.463 1.00 0.00 H ATOM 1338 HB2 ARG A 105 26.623 5.284 7.285 1.00 0.00 H ATOM 1339 HB3 ARG A 105 27.511 3.818 7.760 1.00 0.00 H ATOM 1340 HG2 ARG A 105 29.572 5.205 6.835 1.00 0.00 H ATOM 1341 HG3 ARG A 105 28.506 6.577 7.219 1.00 0.00 H ATOM 1342 HD2 ARG A 105 30.013 4.785 9.025 1.00 0.00 H ATOM 1343 HD3 ARG A 105 28.316 5.015 9.508 1.00 0.00 H ATOM 1344 HE ARG A 105 30.480 7.045 9.483 1.00 0.00 H ATOM 1345 HH12 ARG A 105 26.637 8.000 10.510 1.00 0.00 H ATOM 1346 HH11 ARG A 105 26.956 6.404 9.738 1.00 0.00 H ATOM 1347 HH22 ARG A 105 28.327 9.447 10.900 1.00 0.00 H ATOM 1348 HH21 ARG A 105 30.019 9.027 10.446 1.00 0.00 H ATOM 1349 H ARG A 105 27.190 6.244 4.988 1.00 0.00 H ATOM 1350 N ASN A 106 25.205 3.730 4.898 1.00 48.41 N ATOM 1351 CA ASN A 106 23.979 2.973 4.766 1.00 48.85 C ATOM 1352 C ASN A 106 23.700 2.476 3.334 1.00 49.31 C ATOM 1353 O ASN A 106 22.563 2.162 2.965 1.00 48.43 O ATOM 1354 CB ASN A 106 22.851 3.865 5.260 1.00 49.02 C ATOM 1355 CG ASN A 106 23.032 4.244 6.700 1.00 49.38 C ATOM 1356 OD1 ASN A 106 22.581 3.526 7.585 1.00 52.64 O ATOM 1357 ND2 ASN A 106 23.748 5.342 6.956 1.00 49.05 N ATOM 1358 HA ASN A 106 24.066 2.063 5.359 1.00 0.00 H ATOM 1359 HB2 ASN A 106 22.828 4.772 4.656 1.00 0.00 H ATOM 1360 HB3 ASN A 106 21.906 3.333 5.151 1.00 0.00 H ATOM 1361 HD22 ASN A 106 24.111 5.921 6.172 1.00 0.00 H ATOM 1362 HD21 ASN A 106 23.943 5.618 7.940 1.00 0.00 H ATOM 1363 H ASN A 106 25.230 4.705 4.537 1.00 0.00 H ATOM 1364 N LEU A 107 24.772 2.392 2.554 1.00 50.30 N ATOM 1365 CA LEU A 107 24.719 2.164 1.132 1.00 50.96 C ATOM 1366 C LEU A 107 25.719 1.075 0.724 1.00 51.94 C ATOM 1367 O LEU A 107 26.618 0.728 1.480 1.00 51.96 O ATOM 1368 CB LEU A 107 25.121 3.451 0.411 1.00 50.87 C ATOM 1369 CG LEU A 107 24.174 4.636 0.341 1.00 50.68 C ATOM 1370 CD1 LEU A 107 24.854 5.744 -0.441 1.00 49.77 C ATOM 1371 CD2 LEU A 107 22.841 4.259 -0.299 1.00 50.71 C ATOM 1372 HA LEU A 107 23.708 1.856 0.867 1.00 0.00 H ATOM 1373 HB2 LEU A 107 26.029 3.808 0.897 1.00 0.00 H ATOM 1374 HB3 LEU A 107 25.346 3.173 -0.618 1.00 0.00 H ATOM 1375 HG LEU A 107 23.948 4.974 1.352 1.00 0.00 H ATOM 1376 HD21 LEU A 107 23.015 3.899 -1.313 1.00 0.00 H ATOM 1377 HD22 LEU A 107 22.366 3.475 0.290 1.00 0.00 H ATOM 1378 HD23 LEU A 107 22.193 5.135 -0.329 1.00 0.00 H ATOM 1379 HD11 LEU A 107 25.776 6.031 0.065 1.00 0.00 H ATOM 1380 HD12 LEU A 107 25.085 5.389 -1.446 1.00 0.00 H ATOM 1381 HD13 LEU A 107 24.188 6.605 -0.502 1.00 0.00 H ATOM 1382 H LEU A 107 25.707 2.497 2.997 1.00 0.00 H ATOM 1383 N VAL A 108 25.552 0.563 -0.497 1.00 53.41 N ATOM 1384 CA VAL A 108 26.543 -0.289 -1.168 1.00 53.88 C ATOM 1385 C VAL A 108 26.572 0.090 -2.655 1.00 54.67 C ATOM 1386 O VAL A 108 25.604 -0.170 -3.367 1.00 55.20 O ATOM 1387 CB VAL A 108 26.172 -1.807 -1.013 1.00 54.10 C ATOM 1388 CG1 VAL A 108 27.225 -2.703 -1.654 1.00 53.67 C ATOM 1389 CG2 VAL A 108 25.964 -2.167 0.457 1.00 53.11 C ATOM 1390 HA VAL A 108 27.522 -0.136 -0.714 1.00 0.00 H ATOM 1391 HB VAL A 108 25.233 -1.977 -1.539 1.00 0.00 H ATOM 1392 HG11 VAL A 108 27.300 -2.471 -2.716 1.00 0.00 H ATOM 1393 HG12 VAL A 108 28.188 -2.530 -1.174 1.00 0.00 H ATOM 1394 HG13 VAL A 108 26.937 -3.747 -1.529 1.00 0.00 H ATOM 1395 HG21 VAL A 108 26.882 -1.970 1.011 1.00 0.00 H ATOM 1396 HG22 VAL A 108 25.154 -1.563 0.867 1.00 0.00 H ATOM 1397 HG23 VAL A 108 25.708 -3.223 0.538 1.00 0.00 H ATOM 1398 H VAL A 108 24.669 0.780 -1.003 1.00 0.00 H ATOM 1399 N VAL A 109 27.670 0.689 -3.130 1.00 55.44 N ATOM 1400 CA VAL A 109 27.787 1.084 -4.551 1.00 55.87 C ATOM 1401 C VAL A 109 27.805 -0.112 -5.491 1.00 56.54 C ATOM 1402 O VAL A 109 28.752 -0.880 -5.486 1.00 56.67 O ATOM 1403 CB VAL A 109 29.058 1.916 -4.865 1.00 56.12 C ATOM 1404 CG1 VAL A 109 28.961 2.500 -6.284 1.00 55.31 C ATOM 1405 CG2 VAL A 109 29.262 3.050 -3.835 1.00 55.91 C ATOM 1406 HA VAL A 109 26.899 1.694 -4.716 1.00 0.00 H ATOM 1407 HB VAL A 109 29.921 1.253 -4.803 1.00 0.00 H ATOM 1408 HG11 VAL A 109 28.874 1.687 -7.005 1.00 0.00 H ATOM 1409 HG12 VAL A 109 28.083 3.142 -6.352 1.00 0.00 H ATOM 1410 HG13 VAL A 109 29.857 3.083 -6.498 1.00 0.00 H ATOM 1411 HG21 VAL A 109 28.400 3.716 -3.854 1.00 0.00 H ATOM 1412 HG22 VAL A 109 29.368 2.620 -2.839 1.00 0.00 H ATOM 1413 HG23 VAL A 109 30.162 3.611 -4.088 1.00 0.00 H ATOM 1414 H VAL A 109 28.462 0.882 -2.484 1.00 0.00 H ATOM 1415 N VAL A 110 26.761 -0.253 -6.310 1.00 57.50 N ATOM 1416 CA VAL A 110 26.634 -1.391 -7.229 1.00 57.75 C ATOM 1417 C VAL A 110 27.873 -1.495 -8.093 1.00 57.74 C ATOM 1418 O VAL A 110 28.256 -0.507 -8.722 1.00 58.50 O ATOM 1419 CB VAL A 110 25.385 -1.244 -8.157 1.00 57.83 C ATOM 1420 HA VAL A 110 26.515 -2.290 -6.624 1.00 0.00 H ATOM 1421 HB VAL A 110 24.484 -1.192 -7.546 1.00 0.00 H ATOM 1422 H VAL A 110 26.012 0.468 -6.297 1.00 0.00 H TER 1423 VAL A 110 HETATM 1424 O HOH 1 13.734 15.898 -1.373 1.00 34.92 O HETATM 1425 O HOH 2 26.288 24.972 9.705 1.00 62.23 O HETATM 1426 O HOH 3 28.166 3.644 -11.175 1.00 52.67 O HETATM 1427 O HOH 4 5.858 7.049 -4.837 1.00 20.48 O HETATM 1428 O HOH 5 25.873 16.540 15.481 1.00 38.71 O HETATM 1429 O HOH 6 28.781 -1.475 7.623 1.00 56.68 O HETATM 1430 O HOH 7 5.521 13.507 11.500 1.00 44.96 O HETATM 1431 O HOH 8 29.667 -3.630 8.963 1.00 52.69 O HETATM 1432 O HOH 9 36.508 16.648 2.965 1.00 37.33 O HETATM 1433 O HOH 10 11.898 -3.544 -5.340 1.00 62.27 O HETATM 1434 O HOH 11 27.569 -0.894 -12.116 1.00 35.40 O HETATM 1435 O HOH 12 26.588 11.199 -9.358 1.00 51.14 O HETATM 1436 O HOH 13 4.874 8.263 12.780 1.00 54.41 O HETATM 1437 O HOH 14 29.987 -1.297 -2.795 1.00 58.76 O HETATM 1438 O HOH 15 23.913 29.399 6.837 1.00 58.33 O HETATM 1439 O HOH 16 15.769 0.093 -13.291 1.00 53.79 O HETATM 1440 O HOH 17 37.819 22.635 2.352 1.00 36.83 O HETATM 1441 O HOH 18 7.059 11.327 -0.717 1.00 44.92 O HETATM 1442 O HOH 19 38.653 21.016 3.473 1.00 37.31 O HETATM 1443 O HOH 20 14.314 20.402 -0.613 1.00 49.39 O HETATM 1444 C1 K A 23 19.389 15.124 3.363 1.00 0.03 C HETATM 1445 CL2 K A 23 19.838 13.723 4.262 1.00 -0.08 CL HETATM 1446 C3 K A 23 19.663 16.395 3.778 1.00 -0.06 C HETATM 1447 C4 K A 23 19.280 17.487 3.014 1.00 -0.07 C HETATM 1448 C5 K A 23 18.604 17.292 1.815 1.00 -0.01 C HETATM 1449 C6 K A 23 18.343 15.998 1.401 1.00 0.07 C HETATM 1450 C7 K A 23 18.735 14.918 2.164 1.00 -0.03 C HETATM 1451 H K A 23 18.529 13.904 1.821 1.00 0.06 H HETATM 1452 N8 K A 23 17.703 16.030 0.264 1.00 -0.27 N HETATM 1453 C9 K A 23 17.548 17.296 -0.113 1.00 0.11 C HETATM 1454 C10 K A 23 16.808 17.596 -1.436 1.00 0.09 C HETATM 1455 O11 K A 23 16.134 16.659 -1.901 1.00 -0.56 O HETATM 1456 O12 K A 23 16.859 18.705 -1.968 1.00 -0.56 O HETATM 1457 C13 K A 23 18.053 18.134 0.861 1.00 0.03 C HETATM 1458 C14 K A 23 18.161 19.526 0.910 1.00 0.08 C HETATM 1459 C15 K A 23 17.511 20.448 1.751 1.00 0.03 C HETATM 1460 C16 K A 23 16.529 20.219 2.706 1.00 -0.03 C HETATM 1461 C17 K A 23 16.575 20.918 3.899 1.00 -0.06 C HETATM 1462 C18 K A 23 15.607 20.762 4.874 1.00 -0.07 C HETATM 1463 C19 K A 23 14.539 19.915 4.642 1.00 -0.07 C HETATM 1464 C20 K A 23 14.472 19.234 3.434 1.00 -0.07 C HETATM 1465 C21 K A 23 15.461 19.391 2.473 1.00 -0.06 C HETATM 1466 H K A 23 15.388 18.853 1.528 1.00 0.06 H HETATM 1467 H K A 23 13.632 18.568 3.238 1.00 0.06 H HETATM 1468 H K A 23 13.762 19.784 5.395 1.00 0.06 H HETATM 1469 H K A 23 15.685 21.302 5.817 1.00 0.06 H HETATM 1470 H K A 23 17.398 21.611 4.075 1.00 0.06 H HETATM 1471 N22 K A 23 17.972 21.675 1.475 1.00 -0.32 N HETATM 1472 C23 K A 23 18.884 21.563 0.510 1.00 0.10 C HETATM 1473 N24 K A 23 19.005 20.267 0.191 1.00 -0.23 N HETATM 1474 C25 K A 23 19.881 19.741 -0.846 1.00 0.09 C HETATM 1475 C26 K A 23 21.033 18.967 -0.296 1.00 -0.01 C HETATM 1476 C27 K A 23 21.404 17.807 -0.941 1.00 -0.06 C HETATM 1477 C28 K A 23 22.466 17.081 -0.443 1.00 -0.05 C HETATM 1478 C29 K A 23 23.134 17.512 0.668 1.00 0.03 C HETATM 1479 CL30 K A 23 24.473 16.601 1.207 1.00 -0.08 CL HETATM 1480 C31 K A 23 22.774 18.682 1.327 1.00 -0.05 C HETATM 1481 C32 K A 23 21.700 19.405 0.833 1.00 -0.06 C HETATM 1482 H K A 23 21.381 20.319 1.334 1.00 0.06 H HETATM 1483 H K A 23 23.321 19.021 2.207 1.00 0.06 H HETATM 1484 H K A 23 22.773 16.160 -0.938 1.00 0.06 H HETATM 1485 H K A 23 20.868 17.469 -1.828 1.00 0.06 H HETATM 1486 H K A 23 20.284 20.587 -1.402 1.00 0.08 H HETATM 1487 H K A 23 19.293 19.066 -1.468 1.00 0.08 H HETATM 1488 H K A 23 19.438 22.386 0.057 1.00 0.12 H HETATM 1489 H K A 23 17.374 15.214 -0.253 1.00 0.23 H HETATM 1490 H K A 23 19.509 18.497 3.353 1.00 0.06 H HETATM 1491 H K A 23 20.188 16.553 4.720 1.00 0.05 H CONECT 1 2 14 15 16 CONECT 14 1 CONECT 15 1 CONECT 16 1 CONECT 1444 1445 1446 1450 CONECT 1445 1444 CONECT 1446 1444 1447 1491 CONECT 1447 1446 1448 1490 CONECT 1448 1447 1449 1457 CONECT 1449 1448 1450 1452 CONECT 1450 1444 1449 1451 CONECT 1451 1450 CONECT 1452 1449 1453 1489 CONECT 1453 1452 1454 1457 CONECT 1454 1453 1455 1456 CONECT 1455 1454 CONECT 1456 1454 CONECT 1457 1448 1453 1458 CONECT 1458 1457 1459 1473 CONECT 1459 1458 1460 1471 CONECT 1460 1459 1461 1465 CONECT 1461 1460 1462 1470 CONECT 1462 1461 1463 1469 CONECT 1463 1462 1464 1468 CONECT 1464 1463 1465 1467 CONECT 1465 1460 1464 1466 CONECT 1466 1465 CONECT 1467 1464 CONECT 1468 1463 CONECT 1469 1462 CONECT 1470 1461 CONECT 1471 1459 1472 CONECT 1472 1471 1473 1488 CONECT 1473 1458 1472 1474 CONECT 1474 1473 1475 1486 1487 CONECT 1475 1474 1476 1481 CONECT 1476 1475 1477 1485 CONECT 1477 1476 1478 1484 CONECT 1478 1477 1479 1480 CONECT 1479 1478 CONECT 1480 1478 1481 1483 CONECT 1481 1475 1480 1482 CONECT 1482 1481 CONECT 1483 1480 CONECT 1484 1477 CONECT 1485 1476 CONECT 1486 1474 CONECT 1487 1474 CONECT 1488 1472 CONECT 1489 1452 CONECT 1490 1447 CONECT 1491 1446 MASTER 0 0 0 0 0 0 0 0 1490 1 52 7 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
3lbk
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human MDM2 protein
Ligand Name
K23
EC.Number
E.C.6.3.2.-
Resolution
2.3(Å)
Affinity (Kd/Ki/IC50)
Ki=916nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Cell Cycle Vol. 9:5, pp. 1104-1111
Ligand Properties
Formula
C
2
5
H
1
7
Cl
2
N
3
O
2
Molecular Weight
462.327
Exact Mass
461.070
No. of atoms
49
No. of bonds
53
Polar Surface Area
70.91
LOGP Value
6.96 (
Computed with XLOGP3
)
6.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
Clc1ccc(cc1)Cn1cnc(c1c1c([nH]c2c1ccc(c2)Cl)C(=O)O)c1ccccc1
InChI String
InChI=1S/C25H17Cl2N3O2/c26-17-8-6-15(7-9-17)13-30-14-28-22(16-4-2-1-3-5-16)24(30)21-19-11-10-18(27)12-20(19)29-23(21)25(31)32/h1-12,14,29H,13H2,(H,31,32)
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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