Browse entries in the PDBbind-CN Database
HEADER 4ERF_COMPLEX COMPND 4ERF_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 92 ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG PRO LYS SEQRES 2 A 92 PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY ALA GLN SEQRES 3 A 92 LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE TYR LEU SEQRES 4 A 92 GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP GLU LYS SEQRES 5 A 92 GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU LEU GLY SEQRES 6 A 92 ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS GLU HIS SEQRES 7 A 92 ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU VAL VAL SEQRES 8 A 92 VAL HET UNN A 134 60 ATOM 1 N ILE A 19 -23.544 5.085 -8.399 1.00 34.07 N ATOM 2 CA ILE A 19 -23.824 5.624 -9.737 1.00 34.16 C ATOM 3 C ILE A 19 -25.062 5.122 -10.433 1.00 32.57 C ATOM 4 O ILE A 19 -25.100 4.018 -10.983 1.00 33.72 O ATOM 5 CB ILE A 19 -22.639 5.428 -10.694 1.00 33.50 C ATOM 6 CG1 ILE A 19 -21.413 6.058 -10.017 1.00 34.58 C ATOM 7 CG2 ILE A 19 -22.899 6.131 -12.068 1.00 32.55 C ATOM 8 CD1 ILE A 19 -20.173 5.894 -10.735 1.00 33.62 C ATOM 9 HA ILE A 19 -24.002 6.676 -9.515 1.00 0.00 H ATOM 10 HB ILE A 19 -22.489 4.367 -10.894 1.00 0.00 H ATOM 11 HG12 ILE A 19 -21.600 7.126 -9.903 1.00 0.00 H ATOM 12 HG13 ILE A 19 -21.298 5.603 -9.033 1.00 0.00 H ATOM 13 HD11 ILE A 19 -19.958 4.831 -10.848 1.00 0.00 H ATOM 14 HD12 ILE A 19 -20.260 6.355 -11.719 1.00 0.00 H ATOM 15 HD13 ILE A 19 -19.367 6.372 -10.179 1.00 0.00 H ATOM 16 HG21 ILE A 19 -23.792 5.708 -12.528 1.00 0.00 H ATOM 17 HG22 ILE A 19 -23.043 7.199 -11.907 1.00 0.00 H ATOM 18 HG23 ILE A 19 -22.042 5.974 -12.723 1.00 0.00 H ATOM 19 HN3 ILE A 19 -23.432 4.053 -8.459 1.00 0.00 H ATOM 20 HN2 ILE A 19 -24.334 5.313 -7.762 1.00 0.00 H ATOM 21 HN1 ILE A 19 -22.668 5.509 -8.032 1.00 0.00 H ATOM 22 N PRO A 20 -26.104 5.942 -10.432 1.00 31.56 N ATOM 23 CA PRO A 20 -27.386 5.646 -11.061 1.00 29.04 C ATOM 24 C PRO A 20 -27.089 5.389 -12.512 1.00 27.47 C ATOM 25 O PRO A 20 -26.097 5.882 -13.035 1.00 26.48 O ATOM 26 CB PRO A 20 -28.156 6.927 -10.846 1.00 28.58 C ATOM 27 CG PRO A 20 -27.073 7.966 -10.854 1.00 29.65 C ATOM 28 CD PRO A 20 -26.052 7.338 -9.983 1.00 30.87 C ATOM 29 HA PRO A 20 -27.939 4.788 -10.679 1.00 0.00 H ATOM 30 HD3 PRO A 20 -25.066 7.773 -10.147 1.00 0.00 H ATOM 31 HD2 PRO A 20 -26.317 7.428 -8.930 1.00 0.00 H ATOM 32 HG3 PRO A 20 -27.424 8.911 -10.439 1.00 0.00 H ATOM 33 HG2 PRO A 20 -26.689 8.133 -11.860 1.00 0.00 H ATOM 34 HB2 PRO A 20 -28.870 7.097 -11.651 1.00 0.00 H ATOM 35 HB3 PRO A 20 -28.683 6.914 -9.892 1.00 0.00 H ATOM 36 N ALA A 21 -27.933 4.586 -13.140 1.00 25.93 N ATOM 37 CA ALA A 21 -27.790 4.270 -14.541 1.00 26.57 C ATOM 38 C ALA A 21 -28.261 5.460 -15.361 1.00 25.24 C ATOM 39 O ALA A 21 -27.902 5.586 -16.521 1.00 27.26 O ATOM 40 CB ALA A 21 -28.599 3.033 -14.882 1.00 27.20 C ATOM 41 HA ALA A 21 -26.745 4.063 -14.770 1.00 0.00 H ATOM 42 HB1 ALA A 21 -28.243 2.192 -14.287 1.00 0.00 H ATOM 43 HB2 ALA A 21 -29.651 3.216 -14.662 1.00 0.00 H ATOM 44 HB3 ALA A 21 -28.483 2.805 -15.942 1.00 0.00 H ATOM 45 H ALA A 21 -28.724 4.170 -12.608 1.00 0.00 H ATOM 46 N SER A 22 -29.055 6.347 -14.764 1.00 24.86 N ATOM 47 CA SER A 22 -29.554 7.531 -15.478 1.00 22.94 C ATOM 48 C SER A 22 -28.438 8.485 -15.941 1.00 22.16 C ATOM 49 O SER A 22 -28.594 9.207 -16.928 1.00 20.54 O ATOM 50 CB SER A 22 -30.529 8.309 -14.596 1.00 22.90 C ATOM 51 OG SER A 22 -29.890 8.808 -13.444 1.00 21.59 O ATOM 52 HA SER A 22 -30.053 7.152 -16.370 1.00 0.00 H ATOM 53 HB2 SER A 22 -31.341 7.647 -14.294 1.00 0.00 H ATOM 54 HB3 SER A 22 -30.936 9.144 -15.167 1.00 0.00 H ATOM 55 HG SER A 22 -30.545 9.306 -12.894 1.00 0.00 H ATOM 56 H SER A 22 -29.328 6.199 -13.771 1.00 0.00 H ATOM 57 N GLU A 23 -27.324 8.494 -15.212 1.00 22.59 N ATOM 58 CA GLU A 23 -26.165 9.345 -15.518 1.00 24.75 C ATOM 59 C GLU A 23 -25.563 9.020 -16.895 1.00 23.86 C ATOM 60 O GLU A 23 -24.919 9.861 -17.517 1.00 24.10 O ATOM 61 CB GLU A 23 -25.112 9.147 -14.420 1.00 25.23 C ATOM 62 CG GLU A 23 -23.709 9.564 -14.771 1.00 26.08 C ATOM 63 CD GLU A 23 -23.578 11.038 -15.071 1.00 27.94 C ATOM 64 OE1 GLU A 23 -24.489 11.828 -14.721 1.00 28.31 O ATOM 65 OE2 GLU A 23 -22.539 11.405 -15.655 1.00 27.61 O ATOM 66 HA GLU A 23 -26.492 10.384 -15.550 1.00 0.00 H ATOM 67 HB2 GLU A 23 -25.424 9.724 -13.550 1.00 0.00 H ATOM 68 HB3 GLU A 23 -25.092 8.088 -14.164 1.00 0.00 H ATOM 69 HG2 GLU A 23 -23.057 9.323 -13.932 1.00 0.00 H ATOM 70 HG3 GLU A 23 -23.391 9.003 -15.650 1.00 0.00 H ATOM 71 H GLU A 23 -27.271 7.867 -14.384 1.00 0.00 H ATOM 72 N GLN A 24 -25.780 7.791 -17.354 1.00 25.05 N ATOM 73 CA GLN A 24 -25.248 7.342 -18.638 1.00 25.99 C ATOM 74 C GLN A 24 -25.955 7.918 -19.859 1.00 25.88 C ATOM 75 O GLN A 24 -25.418 7.866 -20.969 1.00 23.99 O ATOM 76 CB GLN A 24 -25.238 5.808 -18.739 1.00 27.36 C ATOM 77 CG GLN A 24 -24.098 5.084 -17.944 1.00 31.22 C ATOM 78 CD GLN A 24 -23.980 3.636 -18.369 1.00 34.56 C ATOM 79 OE1 GLN A 24 -23.927 3.366 -19.588 1.00 37.50 O ATOM 80 NE2 GLN A 24 -23.893 2.710 -17.423 1.00 35.82 N ATOM 81 HA GLN A 24 -24.229 7.729 -18.653 1.00 0.00 H ATOM 82 HB2 GLN A 24 -26.194 5.441 -18.365 1.00 0.00 H ATOM 83 HB3 GLN A 24 -25.135 5.542 -19.791 1.00 0.00 H ATOM 84 HG2 GLN A 24 -23.152 5.591 -18.135 1.00 0.00 H ATOM 85 HG3 GLN A 24 -24.323 5.126 -16.878 1.00 0.00 H ATOM 86 HE22 GLN A 24 -23.942 2.984 -16.421 1.00 0.00 H ATOM 87 HE21 GLN A 24 -23.775 1.710 -17.683 1.00 0.00 H ATOM 88 H GLN A 24 -26.345 7.131 -16.782 1.00 0.00 H ATOM 89 N GLU A 25 -27.151 8.466 -19.639 1.00 25.41 N ATOM 90 CA GLU A 25 -27.954 9.077 -20.678 1.00 24.59 C ATOM 91 C GLU A 25 -27.625 10.549 -20.833 1.00 24.67 C ATOM 92 O GLU A 25 -28.011 11.216 -21.830 1.00 24.28 O ATOM 93 CB GLU A 25 -29.428 8.938 -20.334 1.00 28.44 C ATOM 94 CG GLU A 25 -29.882 7.482 -20.204 1.00 31.32 C ATOM 95 CD GLU A 25 -31.141 7.315 -19.357 1.00 34.58 C ATOM 96 OE1 GLU A 25 -32.050 8.162 -19.428 1.00 35.35 O ATOM 97 OE2 GLU A 25 -31.227 6.314 -18.613 1.00 38.41 O ATOM 98 HA GLU A 25 -27.733 8.567 -21.616 1.00 0.00 H ATOM 99 HB2 GLU A 25 -29.612 9.445 -19.387 1.00 0.00 H ATOM 100 HB3 GLU A 25 -30.014 9.415 -21.120 1.00 0.00 H ATOM 101 HG2 GLU A 25 -30.082 7.091 -21.202 1.00 0.00 H ATOM 102 HG3 GLU A 25 -29.077 6.908 -19.745 1.00 0.00 H ATOM 103 H GLU A 25 -27.527 8.454 -18.669 1.00 0.00 H ATOM 104 N THR A 26 -26.916 11.098 -19.855 1.00 22.90 N ATOM 105 CA THR A 26 -26.504 12.515 -19.869 1.00 23.17 C ATOM 106 C THR A 26 -25.716 12.877 -21.098 1.00 21.48 C ATOM 107 O THR A 26 -24.790 12.156 -21.505 1.00 20.98 O ATOM 108 CB THR A 26 -25.628 12.799 -18.690 1.00 23.74 C ATOM 109 OG1 THR A 26 -26.456 12.784 -17.531 1.00 25.43 O ATOM 110 CG2 THR A 26 -24.950 14.134 -18.851 1.00 26.55 C ATOM 111 HA THR A 26 -27.423 13.101 -19.847 1.00 0.00 H ATOM 112 HB THR A 26 -24.843 12.048 -18.601 1.00 0.00 H ATOM 113 HG1 THR A 26 -25.904 12.969 -16.730 1.00 0.00 H ATOM 114 HG23 THR A 26 -24.324 14.117 -19.743 1.00 0.00 H ATOM 115 HG21 THR A 26 -25.705 14.914 -18.950 1.00 0.00 H ATOM 116 HG22 THR A 26 -24.332 14.334 -17.976 1.00 0.00 H ATOM 117 H THR A 26 -26.639 10.506 -19.046 1.00 0.00 H ATOM 118 N LEU A 27 -26.068 14.013 -21.657 1.00 21.51 N ATOM 119 CA LEU A 27 -25.464 14.486 -22.851 1.00 20.65 C ATOM 120 C LEU A 27 -24.361 15.507 -22.531 1.00 20.38 C ATOM 121 O LEU A 27 -24.528 16.374 -21.660 1.00 20.86 O ATOM 122 CB LEU A 27 -26.622 15.019 -23.712 1.00 22.42 C ATOM 123 CG LEU A 27 -27.664 13.857 -23.996 1.00 23.41 C ATOM 124 CD1 LEU A 27 -29.051 14.416 -24.361 1.00 24.36 C ATOM 125 CD2 LEU A 27 -27.116 12.986 -25.112 1.00 23.53 C ATOM 126 HA LEU A 27 -24.938 13.712 -23.410 1.00 0.00 H ATOM 127 HB2 LEU A 27 -27.121 15.831 -23.184 1.00 0.00 H ATOM 128 HB3 LEU A 27 -26.228 15.391 -24.658 1.00 0.00 H ATOM 129 HG LEU A 27 -27.797 13.262 -23.092 1.00 0.00 H ATOM 130 HD21 LEU A 27 -26.977 13.591 -26.008 1.00 0.00 H ATOM 131 HD22 LEU A 27 -26.159 12.564 -24.805 1.00 0.00 H ATOM 132 HD23 LEU A 27 -27.820 12.180 -25.321 1.00 0.00 H ATOM 133 HD11 LEU A 27 -29.426 15.021 -23.536 1.00 0.00 H ATOM 134 HD12 LEU A 27 -28.969 15.032 -25.257 1.00 0.00 H ATOM 135 HD13 LEU A 27 -29.737 13.590 -24.548 1.00 0.00 H ATOM 136 H LEU A 27 -26.813 14.584 -21.210 1.00 0.00 H ATOM 137 N VAL A 28 -23.218 15.347 -23.207 1.00 18.09 N ATOM 138 CA VAL A 28 -22.025 16.168 -22.990 1.00 17.52 C ATOM 139 C VAL A 28 -21.234 16.501 -24.263 1.00 19.19 C ATOM 140 O VAL A 28 -21.340 15.815 -25.290 1.00 18.42 O ATOM 141 CB VAL A 28 -21.057 15.432 -22.024 1.00 17.58 C ATOM 142 CG1 VAL A 28 -21.797 15.010 -20.763 1.00 13.62 C ATOM 143 CG2 VAL A 28 -20.471 14.201 -22.713 1.00 16.61 C ATOM 144 HA VAL A 28 -22.397 17.108 -22.582 1.00 0.00 H ATOM 145 HB VAL A 28 -20.249 16.111 -21.752 1.00 0.00 H ATOM 146 HG11 VAL A 28 -22.197 15.893 -20.265 1.00 0.00 H ATOM 147 HG12 VAL A 28 -22.615 14.340 -21.030 1.00 0.00 H ATOM 148 HG13 VAL A 28 -21.108 14.495 -20.094 1.00 0.00 H ATOM 149 HG21 VAL A 28 -21.279 13.526 -22.997 1.00 0.00 H ATOM 150 HG22 VAL A 28 -19.924 14.511 -23.604 1.00 0.00 H ATOM 151 HG23 VAL A 28 -19.793 13.691 -22.028 1.00 0.00 H ATOM 152 H VAL A 28 -23.174 14.598 -23.927 1.00 0.00 H ATOM 153 N ARG A 29 -20.426 17.555 -24.180 1.00 20.75 N ATOM 154 CA ARG A 29 -19.588 17.999 -25.288 1.00 21.13 C ATOM 155 C ARG A 29 -18.153 18.091 -24.806 1.00 20.33 C ATOM 156 O ARG A 29 -17.781 19.018 -24.077 1.00 18.32 O ATOM 157 CB ARG A 29 -20.041 19.352 -25.771 1.00 24.17 C ATOM 158 CG ARG A 29 -21.375 19.602 -25.216 1.00 31.12 C ATOM 159 CD ARG A 29 -22.171 20.719 -25.828 1.00 33.94 C ATOM 160 NE ARG A 29 -21.808 21.226 -27.184 1.00 35.99 N ATOM 161 CZ ARG A 29 -22.685 21.286 -28.176 1.00 38.15 C ATOM 162 NH1 ARG A 29 -23.928 20.844 -27.917 1.00 39.31 N ATOM 163 NH2 ARG A 29 -22.396 21.822 -29.367 1.00 40.80 N ATOM 164 HA ARG A 29 -19.665 17.288 -26.110 1.00 0.00 H ATOM 165 HB2 ARG A 29 -19.347 20.120 -25.429 1.00 0.00 H ATOM 166 HB3 ARG A 29 -20.084 19.362 -26.860 1.00 0.00 H ATOM 167 HG2 ARG A 29 -21.955 18.686 -25.327 1.00 0.00 H ATOM 168 HG3 ARG A 29 -21.254 19.827 -24.156 1.00 0.00 H ATOM 169 HD2 ARG A 29 -22.105 21.566 -25.145 1.00 0.00 H ATOM 170 HD3 ARG A 29 -23.205 20.378 -25.884 1.00 0.00 H ATOM 171 HE ARG A 29 -20.833 21.543 -27.357 1.00 0.00 H ATOM 172 HH12 ARG A 29 -24.654 20.869 -28.661 1.00 0.00 H ATOM 173 HH11 ARG A 29 -24.163 20.477 -26.973 1.00 0.00 H ATOM 174 HH22 ARG A 29 -23.118 21.846 -30.115 1.00 0.00 H ATOM 175 HH21 ARG A 29 -21.449 22.214 -29.545 1.00 0.00 H ATOM 176 H ARG A 29 -20.391 18.085 -23.286 1.00 0.00 H ATOM 177 N PRO A 30 -17.333 17.108 -25.193 1.00 20.18 N ATOM 178 CA PRO A 30 -15.916 17.010 -24.838 1.00 18.24 C ATOM 179 C PRO A 30 -15.122 18.249 -25.243 1.00 19.24 C ATOM 180 O PRO A 30 -15.410 18.884 -26.263 1.00 19.32 O ATOM 181 CB PRO A 30 -15.471 15.769 -25.594 1.00 18.48 C ATOM 182 CG PRO A 30 -16.708 14.895 -25.513 1.00 18.62 C ATOM 183 CD PRO A 30 -17.796 15.875 -25.857 1.00 19.74 C ATOM 184 HA PRO A 30 -15.750 16.944 -23.763 1.00 0.00 H ATOM 185 HD3 PRO A 30 -17.876 16.014 -26.935 1.00 0.00 H ATOM 186 HD2 PRO A 30 -18.759 15.551 -25.461 1.00 0.00 H ATOM 187 HG3 PRO A 30 -16.842 14.487 -24.511 1.00 0.00 H ATOM 188 HG2 PRO A 30 -16.666 14.078 -26.234 1.00 0.00 H ATOM 189 HB2 PRO A 30 -15.217 16.003 -26.628 1.00 0.00 H ATOM 190 HB3 PRO A 30 -14.617 15.294 -25.111 1.00 0.00 H ATOM 191 N LYS A 31 -14.132 18.595 -24.432 1.00 17.73 N ATOM 192 CA LYS A 31 -13.285 19.723 -24.737 1.00 17.92 C ATOM 193 C LYS A 31 -12.262 19.192 -25.742 1.00 18.29 C ATOM 194 O LYS A 31 -12.158 17.980 -25.947 1.00 19.40 O ATOM 195 CB LYS A 31 -12.621 20.239 -23.462 1.00 17.85 C ATOM 196 CG LYS A 31 -13.618 20.858 -22.496 1.00 17.78 C ATOM 197 CD LYS A 31 -12.975 21.210 -21.168 1.00 18.16 C ATOM 198 CE LYS A 31 -13.983 21.748 -20.162 1.00 18.74 C ATOM 199 NZ LYS A 31 -13.293 22.145 -18.880 1.00 17.00 N ATOM 200 HA LYS A 31 -13.836 20.567 -25.152 1.00 0.00 H ATOM 201 HB2 LYS A 31 -12.123 19.406 -22.965 1.00 0.00 H ATOM 202 HB3 LYS A 31 -11.882 20.993 -23.733 1.00 0.00 H ATOM 203 HG2 LYS A 31 -14.025 21.765 -22.942 1.00 0.00 H ATOM 204 HG3 LYS A 31 -14.426 20.148 -22.320 1.00 0.00 H ATOM 205 HD2 LYS A 31 -12.511 20.315 -20.755 1.00 0.00 H ATOM 206 HD3 LYS A 31 -12.211 21.968 -21.338 1.00 0.00 H ATOM 207 HE2 LYS A 31 -14.722 20.976 -19.947 1.00 0.00 H ATOM 208 HE3 LYS A 31 -14.482 22.620 -20.585 1.00 0.00 H ATOM 209 HZ1 LYS A 31 -12.819 21.315 -18.472 1.00 0.00 H ATOM 210 HZ2 LYS A 31 -12.589 22.884 -19.081 1.00 0.00 H ATOM 211 HZ3 LYS A 31 -13.997 22.509 -18.207 1.00 0.00 H ATOM 212 H LYS A 31 -13.964 18.046 -23.565 1.00 0.00 H ATOM 213 N PRO A 32 -11.496 20.086 -26.382 1.00 18.39 N ATOM 214 CA PRO A 32 -10.497 19.687 -27.374 1.00 17.87 C ATOM 215 C PRO A 32 -9.611 18.472 -27.115 1.00 17.21 C ATOM 216 O PRO A 32 -9.536 17.590 -27.957 1.00 17.88 O ATOM 217 CB PRO A 32 -9.711 20.969 -27.592 1.00 18.44 C ATOM 218 CG PRO A 32 -10.793 22.004 -27.505 1.00 18.83 C ATOM 219 CD PRO A 32 -11.554 21.557 -26.273 1.00 18.81 C ATOM 220 HA PRO A 32 -11.013 19.290 -28.248 1.00 0.00 H ATOM 221 HD3 PRO A 32 -11.068 21.905 -25.361 1.00 0.00 H ATOM 222 HD2 PRO A 32 -12.584 21.914 -26.294 1.00 0.00 H ATOM 223 HG3 PRO A 32 -11.428 21.990 -28.391 1.00 0.00 H ATOM 224 HG2 PRO A 32 -10.377 23.003 -27.374 1.00 0.00 H ATOM 225 HB2 PRO A 32 -8.960 21.112 -26.816 1.00 0.00 H ATOM 226 HB3 PRO A 32 -9.228 20.979 -28.569 1.00 0.00 H ATOM 227 N LEU A 33 -8.955 18.400 -25.964 1.00 17.78 N ATOM 228 CA LEU A 33 -8.080 17.266 -25.699 1.00 19.02 C ATOM 229 C LEU A 33 -8.822 15.945 -25.628 1.00 18.35 C ATOM 230 O LEU A 33 -8.395 14.946 -26.200 1.00 19.12 O ATOM 231 CB LEU A 33 -7.308 17.465 -24.395 1.00 21.02 C ATOM 232 CG LEU A 33 -6.344 16.300 -24.196 1.00 23.48 C ATOM 233 CD1 LEU A 33 -5.461 16.194 -25.445 1.00 23.78 C ATOM 234 CD2 LEU A 33 -5.508 16.492 -22.925 1.00 24.03 C ATOM 235 HA LEU A 33 -7.392 17.222 -26.543 1.00 0.00 H ATOM 236 HB2 LEU A 33 -6.747 18.398 -24.443 1.00 0.00 H ATOM 237 HB3 LEU A 33 -8.008 17.506 -23.560 1.00 0.00 H ATOM 238 HG LEU A 33 -6.898 15.371 -24.064 1.00 0.00 H ATOM 239 HD21 LEU A 33 -4.932 17.414 -23.006 1.00 0.00 H ATOM 240 HD22 LEU A 33 -6.170 16.551 -22.061 1.00 0.00 H ATOM 241 HD23 LEU A 33 -4.829 15.647 -22.807 1.00 0.00 H ATOM 242 HD11 LEU A 33 -6.089 16.018 -26.318 1.00 0.00 H ATOM 243 HD12 LEU A 33 -4.906 17.123 -25.576 1.00 0.00 H ATOM 244 HD13 LEU A 33 -4.762 15.366 -25.325 1.00 0.00 H ATOM 245 H LEU A 33 -9.065 19.151 -25.253 1.00 0.00 H ATOM 246 N LEU A 34 -9.931 15.936 -24.906 1.00 17.01 N ATOM 247 CA LEU A 34 -10.708 14.718 -24.786 1.00 17.69 C ATOM 248 C LEU A 34 -11.279 14.315 -26.143 1.00 17.02 C ATOM 249 O LEU A 34 -11.377 13.132 -26.455 1.00 17.89 O ATOM 250 CB LEU A 34 -11.839 14.911 -23.779 1.00 15.69 C ATOM 251 CG LEU A 34 -12.803 13.733 -23.647 1.00 17.75 C ATOM 252 CD1 LEU A 34 -12.071 12.470 -23.210 1.00 15.86 C ATOM 253 CD2 LEU A 34 -13.869 14.112 -22.639 1.00 18.59 C ATOM 254 HA LEU A 34 -10.052 13.922 -24.432 1.00 0.00 H ATOM 255 HB2 LEU A 34 -11.393 15.093 -22.801 1.00 0.00 H ATOM 256 HB3 LEU A 34 -12.415 15.785 -24.082 1.00 0.00 H ATOM 257 HG LEU A 34 -13.258 13.518 -24.614 1.00 0.00 H ATOM 258 HD21 LEU A 34 -13.400 14.325 -21.679 1.00 0.00 H ATOM 259 HD22 LEU A 34 -14.400 14.997 -22.989 1.00 0.00 H ATOM 260 HD23 LEU A 34 -14.571 13.286 -22.527 1.00 0.00 H ATOM 261 HD11 LEU A 34 -11.311 12.218 -23.950 1.00 0.00 H ATOM 262 HD12 LEU A 34 -11.597 12.642 -22.244 1.00 0.00 H ATOM 263 HD13 LEU A 34 -12.784 11.650 -23.125 1.00 0.00 H ATOM 264 H LEU A 34 -10.245 16.803 -24.425 1.00 0.00 H ATOM 265 N LEU A 35 -11.660 15.302 -26.948 1.00 18.01 N ATOM 266 CA LEU A 35 -12.205 15.012 -28.265 1.00 17.83 C ATOM 267 C LEU A 35 -11.138 14.344 -29.128 1.00 19.41 C ATOM 268 O LEU A 35 -11.438 13.445 -29.908 1.00 18.39 O ATOM 269 CB LEU A 35 -12.668 16.293 -28.942 1.00 19.21 C ATOM 270 CG LEU A 35 -13.406 16.054 -30.261 1.00 20.07 C ATOM 271 CD1 LEU A 35 -14.711 15.326 -29.973 1.00 20.01 C ATOM 272 CD2 LEU A 35 -13.673 17.383 -30.961 1.00 18.83 C ATOM 273 HA LEU A 35 -13.058 14.343 -28.149 1.00 0.00 H ATOM 274 HB2 LEU A 35 -13.337 16.820 -28.262 1.00 0.00 H ATOM 275 HB3 LEU A 35 -11.794 16.913 -29.143 1.00 0.00 H ATOM 276 HG LEU A 35 -12.792 15.442 -30.922 1.00 0.00 H ATOM 277 HD21 LEU A 35 -14.285 18.015 -30.317 1.00 0.00 H ATOM 278 HD22 LEU A 35 -12.725 17.881 -31.166 1.00 0.00 H ATOM 279 HD23 LEU A 35 -14.199 17.199 -31.898 1.00 0.00 H ATOM 280 HD11 LEU A 35 -14.495 14.371 -29.494 1.00 0.00 H ATOM 281 HD12 LEU A 35 -15.327 15.935 -29.311 1.00 0.00 H ATOM 282 HD13 LEU A 35 -15.243 15.152 -30.909 1.00 0.00 H ATOM 283 H LEU A 35 -11.568 16.289 -26.634 1.00 0.00 H ATOM 284 N LYS A 36 -9.894 14.802 -28.990 1.00 20.41 N ATOM 285 CA LYS A 36 -8.776 14.249 -29.749 1.00 22.67 C ATOM 286 C LYS A 36 -8.596 12.782 -29.369 1.00 22.33 C ATOM 287 O LYS A 36 -8.252 11.958 -30.206 1.00 23.29 O ATOM 288 CB LYS A 36 -7.497 15.041 -29.454 1.00 25.73 C ATOM 289 CG LYS A 36 -6.226 14.531 -30.143 1.00 27.48 C ATOM 290 CD LYS A 36 -5.025 15.279 -29.579 1.00 30.68 C ATOM 291 CE LYS A 36 -3.687 14.831 -30.180 1.00 32.24 C ATOM 292 NZ LYS A 36 -3.349 15.584 -31.411 1.00 33.82 N ATOM 293 HA LYS A 36 -8.983 14.322 -30.817 1.00 0.00 H ATOM 294 HB2 LYS A 36 -7.660 16.071 -29.771 1.00 0.00 H ATOM 295 HB3 LYS A 36 -7.328 15.016 -28.377 1.00 0.00 H ATOM 296 HG2 LYS A 36 -6.112 13.463 -29.958 1.00 0.00 H ATOM 297 HG3 LYS A 36 -6.296 14.707 -31.216 1.00 0.00 H ATOM 298 HD2 LYS A 36 -5.155 16.342 -29.780 1.00 0.00 H ATOM 299 HD3 LYS A 36 -4.991 15.116 -28.502 1.00 0.00 H ATOM 300 HE2 LYS A 36 -3.748 13.770 -30.422 1.00 0.00 H ATOM 301 HE3 LYS A 36 -2.900 14.990 -29.443 1.00 0.00 H ATOM 302 HZ1 LYS A 36 -4.092 15.433 -32.123 1.00 0.00 H ATOM 303 HZ2 LYS A 36 -3.282 16.598 -31.188 1.00 0.00 H ATOM 304 HZ3 LYS A 36 -2.437 15.248 -31.782 1.00 0.00 H ATOM 305 H LYS A 36 -9.714 15.577 -28.321 1.00 0.00 H ATOM 306 N LEU A 37 -8.840 12.451 -28.105 1.00 21.43 N ATOM 307 CA LEU A 37 -8.714 11.066 -27.664 1.00 21.60 C ATOM 308 C LEU A 37 -9.862 10.223 -28.249 1.00 20.41 C ATOM 309 O LEU A 37 -9.642 9.173 -28.877 1.00 18.87 O ATOM 310 CB LEU A 37 -8.726 11.002 -26.126 1.00 20.34 C ATOM 311 CG LEU A 37 -8.680 9.615 -25.479 1.00 20.70 C ATOM 312 CD1 LEU A 37 -8.183 9.721 -24.047 1.00 20.66 C ATOM 313 CD2 LEU A 37 -10.056 8.963 -25.524 1.00 20.11 C ATOM 314 HA LEU A 37 -7.768 10.660 -28.021 1.00 0.00 H ATOM 315 HB2 LEU A 37 -7.860 11.559 -25.768 1.00 0.00 H ATOM 316 HB3 LEU A 37 -9.638 11.492 -25.785 1.00 0.00 H ATOM 317 HG LEU A 37 -7.986 8.989 -26.040 1.00 0.00 H ATOM 318 HD21 LEU A 37 -10.769 9.585 -24.983 1.00 0.00 H ATOM 319 HD22 LEU A 37 -10.375 8.861 -26.561 1.00 0.00 H ATOM 320 HD23 LEU A 37 -10.005 7.978 -25.060 1.00 0.00 H ATOM 321 HD11 LEU A 37 -7.182 10.151 -24.042 1.00 0.00 H ATOM 322 HD12 LEU A 37 -8.857 10.360 -23.476 1.00 0.00 H ATOM 323 HD13 LEU A 37 -8.155 8.728 -23.599 1.00 0.00 H ATOM 324 H LEU A 37 -9.123 13.185 -27.425 1.00 0.00 H ATOM 325 N LEU A 38 -11.082 10.710 -28.048 1.00 19.35 N ATOM 326 CA LEU A 38 -12.289 10.045 -28.523 1.00 19.14 C ATOM 327 C LEU A 38 -12.303 9.733 -30.019 1.00 19.05 C ATOM 328 O LEU A 38 -12.795 8.686 -30.429 1.00 18.86 O ATOM 329 CB LEU A 38 -13.514 10.893 -28.178 1.00 18.34 C ATOM 330 CG LEU A 38 -13.775 11.040 -26.688 1.00 18.95 C ATOM 331 CD1 LEU A 38 -14.958 11.978 -26.449 1.00 17.48 C ATOM 332 CD2 LEU A 38 -14.016 9.661 -26.104 1.00 17.56 C ATOM 333 HA LEU A 38 -12.310 9.082 -28.013 1.00 0.00 H ATOM 334 HB2 LEU A 38 -13.370 11.888 -28.599 1.00 0.00 H ATOM 335 HB3 LEU A 38 -14.389 10.430 -28.634 1.00 0.00 H ATOM 336 HG LEU A 38 -12.913 11.484 -26.191 1.00 0.00 H ATOM 337 HD21 LEU A 38 -14.879 9.207 -26.591 1.00 0.00 H ATOM 338 HD22 LEU A 38 -13.136 9.039 -26.269 1.00 0.00 H ATOM 339 HD23 LEU A 38 -14.205 9.749 -25.034 1.00 0.00 H ATOM 340 HD11 LEU A 38 -14.734 12.958 -26.871 1.00 0.00 H ATOM 341 HD12 LEU A 38 -15.847 11.569 -26.929 1.00 0.00 H ATOM 342 HD13 LEU A 38 -15.133 12.074 -25.377 1.00 0.00 H ATOM 343 H LEU A 38 -11.180 11.606 -27.529 1.00 0.00 H ATOM 344 N LYS A 39 -11.774 10.645 -30.829 1.00 19.59 N ATOM 345 CA LYS A 39 -11.744 10.439 -32.272 1.00 21.44 C ATOM 346 C LYS A 39 -10.754 9.398 -32.745 1.00 20.77 C ATOM 347 O LYS A 39 -10.676 9.130 -33.939 1.00 20.54 O ATOM 348 CB LYS A 39 -11.383 11.712 -33.011 1.00 22.55 C ATOM 349 CG LYS A 39 -12.421 12.796 -32.934 1.00 25.44 C ATOM 350 CD LYS A 39 -11.928 14.053 -33.612 1.00 30.20 C ATOM 351 CE LYS A 39 -10.569 13.855 -34.210 1.00 30.07 C ATOM 352 NZ LYS A 39 -10.192 14.993 -35.039 1.00 31.98 N ATOM 353 HA LYS A 39 -12.756 10.099 -32.492 1.00 0.00 H ATOM 354 HB2 LYS A 39 -10.455 12.099 -32.589 1.00 0.00 H ATOM 355 HB3 LYS A 39 -11.228 11.464 -34.061 1.00 0.00 H ATOM 356 HG2 LYS A 39 -13.332 12.456 -33.427 1.00 0.00 H ATOM 357 HG3 LYS A 39 -12.635 13.013 -31.888 1.00 0.00 H ATOM 358 HD2 LYS A 39 -12.627 14.327 -34.402 1.00 0.00 H ATOM 359 HD3 LYS A 39 -11.879 14.857 -32.877 1.00 0.00 H ATOM 360 HE2 LYS A 39 -10.577 12.954 -34.823 1.00 0.00 H ATOM 361 HE3 LYS A 39 -9.840 13.741 -33.408 1.00 0.00 H ATOM 362 HZ1 LYS A 39 -10.883 15.104 -35.809 1.00 0.00 H ATOM 363 HZ2 LYS A 39 -10.179 15.855 -34.457 1.00 0.00 H ATOM 364 HZ3 LYS A 39 -9.247 14.830 -35.441 1.00 0.00 H ATOM 365 H LYS A 39 -11.376 11.518 -30.427 1.00 0.00 H ATOM 366 N SER A 40 -9.962 8.845 -31.842 1.00 20.20 N ATOM 367 CA SER A 40 -9.006 7.837 -32.246 1.00 19.63 C ATOM 368 C SER A 40 -9.673 6.471 -32.126 1.00 19.01 C ATOM 369 O SER A 40 -9.136 5.461 -32.595 1.00 17.92 O ATOM 370 CB SER A 40 -7.766 7.887 -31.358 1.00 21.34 C ATOM 371 OG SER A 40 -8.049 7.380 -30.072 1.00 25.58 O ATOM 372 HA SER A 40 -8.694 8.019 -33.274 1.00 0.00 H ATOM 373 HB2 SER A 40 -7.431 8.921 -31.269 1.00 0.00 H ATOM 374 HB3 SER A 40 -6.976 7.289 -31.812 1.00 0.00 H ATOM 375 HG SER A 40 -8.763 7.923 -29.654 1.00 0.00 H ATOM 376 H SER A 40 -10.026 9.134 -30.845 1.00 0.00 H ATOM 377 N VAL A 41 -10.849 6.448 -31.498 1.00 18.05 N ATOM 378 CA VAL A 41 -11.587 5.202 -31.305 1.00 18.94 C ATOM 379 C VAL A 41 -13.025 5.253 -31.787 1.00 19.26 C ATOM 380 O VAL A 41 -13.684 4.229 -31.880 1.00 19.95 O ATOM 381 CB VAL A 41 -11.612 4.774 -29.819 1.00 18.60 C ATOM 382 CG1 VAL A 41 -10.282 4.167 -29.438 1.00 17.51 C ATOM 383 CG2 VAL A 41 -11.937 5.963 -28.931 1.00 17.34 C ATOM 384 HA VAL A 41 -11.043 4.478 -31.912 1.00 0.00 H ATOM 385 HB VAL A 41 -12.390 4.024 -29.677 1.00 0.00 H ATOM 386 HG11 VAL A 41 -10.091 3.294 -30.062 1.00 0.00 H ATOM 387 HG12 VAL A 41 -9.492 4.903 -29.588 1.00 0.00 H ATOM 388 HG13 VAL A 41 -10.307 3.868 -28.390 1.00 0.00 H ATOM 389 HG21 VAL A 41 -11.178 6.734 -29.066 1.00 0.00 H ATOM 390 HG22 VAL A 41 -12.914 6.361 -29.203 1.00 0.00 H ATOM 391 HG23 VAL A 41 -11.950 5.644 -27.889 1.00 0.00 H ATOM 392 H VAL A 41 -11.250 7.337 -31.137 1.00 0.00 H ATOM 393 N GLY A 42 -13.514 6.447 -32.084 1.00 20.65 N ATOM 394 CA GLY A 42 -14.878 6.565 -32.545 1.00 21.50 C ATOM 395 C GLY A 42 -15.100 7.769 -33.432 1.00 20.87 C ATOM 396 O GLY A 42 -14.279 8.681 -33.482 1.00 18.83 O ATOM 397 HA3 GLY A 42 -15.532 6.647 -31.677 1.00 0.00 H ATOM 398 HA2 GLY A 42 -15.134 5.667 -33.107 1.00 0.00 H ATOM 399 H GLY A 42 -12.920 7.295 -31.986 1.00 0.00 H ATOM 400 N ALA A 43 -16.233 7.768 -34.123 1.00 22.20 N ATOM 401 CA ALA A 43 -16.595 8.864 -35.010 1.00 24.07 C ATOM 402 C ALA A 43 -16.757 10.162 -34.215 1.00 24.03 C ATOM 403 O ALA A 43 -17.246 10.148 -33.086 1.00 25.42 O ATOM 404 CB ALA A 43 -17.885 8.526 -35.728 1.00 25.74 C ATOM 405 HA ALA A 43 -15.801 9.007 -35.743 1.00 0.00 H ATOM 406 HB1 ALA A 43 -17.747 7.616 -36.311 1.00 0.00 H ATOM 407 HB2 ALA A 43 -18.678 8.373 -34.996 1.00 0.00 H ATOM 408 HB3 ALA A 43 -18.156 9.347 -36.392 1.00 0.00 H ATOM 409 H ALA A 43 -16.881 6.960 -34.028 1.00 0.00 H ATOM 410 N GLN A 44 -16.347 11.283 -34.799 1.00 24.01 N ATOM 411 CA GLN A 44 -16.483 12.565 -34.113 1.00 24.28 C ATOM 412 C GLN A 44 -17.960 12.973 -34.093 1.00 23.48 C ATOM 413 O GLN A 44 -18.669 12.809 -35.083 1.00 19.48 O ATOM 414 CB GLN A 44 -15.660 13.664 -34.815 1.00 28.41 C ATOM 415 CG GLN A 44 -15.575 14.982 -34.006 1.00 32.02 C ATOM 416 CD GLN A 44 -14.861 16.119 -34.735 1.00 34.71 C ATOM 417 OE1 GLN A 44 -13.923 15.889 -35.507 1.00 36.68 O ATOM 418 NE2 GLN A 44 -15.290 17.359 -34.473 1.00 35.47 N ATOM 419 HA GLN A 44 -16.107 12.452 -33.096 1.00 0.00 H ATOM 420 HB2 GLN A 44 -14.649 13.290 -34.974 1.00 0.00 H ATOM 421 HB3 GLN A 44 -16.122 13.879 -35.779 1.00 0.00 H ATOM 422 HG2 GLN A 44 -16.589 15.307 -33.775 1.00 0.00 H ATOM 423 HG3 GLN A 44 -15.039 14.780 -33.079 1.00 0.00 H ATOM 424 HE22 GLN A 44 -16.083 17.507 -33.817 1.00 0.00 H ATOM 425 HE21 GLN A 44 -14.830 18.175 -34.926 1.00 0.00 H ATOM 426 H GLN A 44 -15.927 11.247 -35.750 1.00 0.00 H ATOM 427 N LYS A 45 -18.410 13.477 -32.946 1.00 23.36 N ATOM 428 CA LYS A 45 -19.779 13.946 -32.770 1.00 24.74 C ATOM 429 C LYS A 45 -19.732 15.265 -31.987 1.00 24.43 C ATOM 430 O LYS A 45 -18.781 15.518 -31.256 1.00 25.19 O ATOM 431 CB LYS A 45 -20.611 12.933 -31.977 1.00 24.53 C ATOM 432 CG LYS A 45 -21.060 11.685 -32.721 1.00 26.31 C ATOM 433 CD LYS A 45 -22.126 10.996 -31.871 1.00 28.16 C ATOM 434 CE LYS A 45 -22.835 9.870 -32.570 1.00 29.69 C ATOM 435 NZ LYS A 45 -23.978 9.428 -31.702 1.00 29.82 N ATOM 436 HA LYS A 45 -20.239 14.079 -33.749 1.00 0.00 H ATOM 437 HB2 LYS A 45 -20.015 12.612 -31.123 1.00 0.00 H ATOM 438 HB3 LYS A 45 -21.505 13.446 -31.622 1.00 0.00 H ATOM 439 HG2 LYS A 45 -21.478 11.960 -33.690 1.00 0.00 H ATOM 440 HG3 LYS A 45 -20.213 11.015 -32.869 1.00 0.00 H ATOM 441 HD2 LYS A 45 -21.646 10.597 -30.977 1.00 0.00 H ATOM 442 HD3 LYS A 45 -22.868 11.741 -31.582 1.00 0.00 H ATOM 443 HE2 LYS A 45 -22.146 9.040 -32.726 1.00 0.00 H ATOM 444 HE3 LYS A 45 -23.213 10.212 -33.533 1.00 0.00 H ATOM 445 HZ1 LYS A 45 -23.610 9.106 -30.784 1.00 0.00 H ATOM 446 HZ2 LYS A 45 -24.629 10.226 -31.555 1.00 0.00 H ATOM 447 HZ3 LYS A 45 -24.484 8.648 -32.168 1.00 0.00 H ATOM 448 H LYS A 45 -17.756 13.539 -32.140 1.00 0.00 H ATOM 449 N ASP A 46 -20.746 16.107 -32.152 1.00 26.18 N ATOM 450 CA ASP A 46 -20.802 17.373 -31.424 1.00 27.33 C ATOM 451 C ASP A 46 -21.213 17.118 -29.974 1.00 26.40 C ATOM 452 O ASP A 46 -20.732 17.763 -29.045 1.00 28.10 O ATOM 453 CB ASP A 46 -21.815 18.323 -32.075 1.00 29.53 C ATOM 454 CG ASP A 46 -21.275 18.986 -33.325 1.00 33.26 C ATOM 455 OD1 ASP A 46 -20.126 19.498 -33.295 1.00 36.26 O ATOM 456 OD2 ASP A 46 -22.002 19.010 -34.341 1.00 36.17 O ATOM 457 HA ASP A 46 -19.814 17.832 -31.453 1.00 0.00 H ATOM 458 HB2 ASP A 46 -22.707 17.755 -32.339 1.00 0.00 H ATOM 459 HB3 ASP A 46 -22.079 19.098 -31.355 1.00 0.00 H ATOM 460 H ASP A 46 -21.513 15.861 -32.810 1.00 0.00 H ATOM 461 N THR A 47 -22.116 16.167 -29.797 1.00 23.57 N ATOM 462 CA THR A 47 -22.628 15.826 -28.489 1.00 21.17 C ATOM 463 C THR A 47 -22.551 14.324 -28.333 1.00 19.47 C ATOM 464 O THR A 47 -22.809 13.582 -29.276 1.00 20.53 O ATOM 465 CB THR A 47 -24.105 16.289 -28.350 1.00 20.27 C ATOM 466 OG1 THR A 47 -24.170 17.713 -28.484 1.00 23.81 O ATOM 467 CG2 THR A 47 -24.682 15.881 -27.006 1.00 22.32 C ATOM 468 HA THR A 47 -22.038 16.323 -27.719 1.00 0.00 H ATOM 469 HB THR A 47 -24.692 15.811 -29.134 1.00 0.00 H ATOM 470 HG1 THR A 47 -25.111 18.009 -28.396 1.00 0.00 H ATOM 471 HG23 THR A 47 -24.632 14.797 -26.905 1.00 0.00 H ATOM 472 HG21 THR A 47 -24.106 16.349 -26.208 1.00 0.00 H ATOM 473 HG22 THR A 47 -25.721 16.206 -26.944 1.00 0.00 H ATOM 474 H THR A 47 -22.469 15.648 -30.626 1.00 0.00 H ATOM 475 N TYR A 48 -22.159 13.884 -27.144 1.00 19.02 N ATOM 476 CA TYR A 48 -22.072 12.469 -26.824 1.00 18.40 C ATOM 477 C TYR A 48 -22.867 12.224 -25.544 1.00 18.90 C ATOM 478 O TYR A 48 -23.030 13.128 -24.726 1.00 18.98 O ATOM 479 CB TYR A 48 -20.634 12.044 -26.527 1.00 17.44 C ATOM 480 CG TYR A 48 -19.640 12.131 -27.660 1.00 17.64 C ATOM 481 CD1 TYR A 48 -18.984 13.329 -27.961 1.00 16.27 C ATOM 482 CD2 TYR A 48 -19.328 11.001 -28.411 1.00 19.21 C ATOM 483 CE1 TYR A 48 -18.037 13.392 -28.985 1.00 17.21 C ATOM 484 CE2 TYR A 48 -18.386 11.051 -29.433 1.00 17.44 C ATOM 485 CZ TYR A 48 -17.742 12.242 -29.713 1.00 17.00 C ATOM 486 OH TYR A 48 -16.774 12.255 -30.692 1.00 20.76 O ATOM 487 HA TYR A 48 -22.450 11.907 -27.678 1.00 0.00 H ATOM 488 HB3 TYR A 48 -20.661 11.007 -26.193 1.00 0.00 H ATOM 489 HB2 TYR A 48 -20.266 12.675 -25.718 1.00 0.00 H ATOM 490 HD2 TYR A 48 -19.832 10.059 -28.194 1.00 0.00 H ATOM 491 HE2 TYR A 48 -18.157 10.155 -30.010 1.00 0.00 H ATOM 492 HE1 TYR A 48 -17.534 14.332 -29.212 1.00 0.00 H ATOM 493 HD1 TYR A 48 -19.215 14.227 -27.388 1.00 0.00 H ATOM 494 HH TYR A 48 -17.174 11.976 -31.554 1.00 0.00 H ATOM 495 H TYR A 48 -21.904 14.578 -26.413 1.00 0.00 H ATOM 496 N THR A 49 -23.341 10.999 -25.368 1.00 17.86 N ATOM 497 CA THR A 49 -24.050 10.633 -24.154 1.00 20.62 C ATOM 498 C THR A 49 -22.890 10.133 -23.303 1.00 20.85 C ATOM 499 O THR A 49 -21.827 9.811 -23.844 1.00 21.46 O ATOM 500 CB THR A 49 -25.018 9.458 -24.374 1.00 19.93 C ATOM 501 OG1 THR A 49 -24.268 8.311 -24.797 1.00 18.81 O ATOM 502 CG2 THR A 49 -26.081 9.812 -25.433 1.00 19.82 C ATOM 503 HA THR A 49 -24.651 11.447 -23.747 1.00 0.00 H ATOM 504 HB THR A 49 -25.534 9.242 -23.439 1.00 0.00 H ATOM 505 HG1 THR A 49 -24.884 7.550 -24.941 1.00 0.00 H ATOM 506 HG23 THR A 49 -26.645 10.684 -25.102 1.00 0.00 H ATOM 507 HG21 THR A 49 -25.589 10.034 -26.380 1.00 0.00 H ATOM 508 HG22 THR A 49 -26.758 8.968 -25.563 1.00 0.00 H ATOM 509 H THR A 49 -23.203 10.286 -26.113 1.00 0.00 H ATOM 510 N MET A 50 -23.057 10.060 -21.992 1.00 20.86 N ATOM 511 CA MET A 50 -21.944 9.585 -21.180 1.00 20.83 C ATOM 512 C MET A 50 -21.625 8.117 -21.499 1.00 21.95 C ATOM 513 O MET A 50 -20.457 7.724 -21.447 1.00 19.85 O ATOM 514 CB MET A 50 -22.207 9.791 -19.683 1.00 21.52 C ATOM 515 CG MET A 50 -21.861 11.203 -19.155 1.00 22.88 C ATOM 516 SD MET A 50 -20.110 11.718 -19.386 1.00 23.97 S ATOM 517 CE MET A 50 -19.285 10.581 -18.322 1.00 25.53 C ATOM 518 HA MET A 50 -21.068 10.182 -21.434 1.00 0.00 H ATOM 519 HB2 MET A 50 -23.265 9.608 -19.495 1.00 0.00 H ATOM 520 HB3 MET A 50 -21.610 9.066 -19.130 1.00 0.00 H ATOM 521 HG2 MET A 50 -22.082 11.228 -18.088 1.00 0.00 H ATOM 522 HG3 MET A 50 -22.495 11.922 -19.673 1.00 0.00 H ATOM 523 HE1 MET A 50 -19.647 10.711 -17.302 1.00 0.00 H ATOM 524 HE2 MET A 50 -19.488 9.563 -18.654 1.00 0.00 H ATOM 525 HE3 MET A 50 -18.212 10.768 -18.354 1.00 0.00 H ATOM 526 H MET A 50 -23.959 10.334 -21.553 1.00 0.00 H ATOM 527 N LYS A 51 -22.643 7.309 -21.834 1.00 20.47 N ATOM 528 CA LYS A 51 -22.429 5.899 -22.225 1.00 20.22 C ATOM 529 C LYS A 51 -21.432 5.839 -23.395 1.00 18.44 C ATOM 530 O LYS A 51 -20.614 4.930 -23.459 1.00 19.26 O ATOM 531 CB LYS A 51 -23.764 5.259 -22.673 1.00 21.74 C ATOM 532 CG LYS A 51 -23.718 3.849 -23.293 1.00 26.52 C ATOM 533 CD LYS A 51 -25.087 3.561 -23.959 1.00 29.46 C ATOM 534 CE LYS A 51 -25.425 2.096 -24.227 1.00 31.11 C ATOM 535 NZ LYS A 51 -26.842 1.794 -23.800 1.00 35.78 N ATOM 536 HA LYS A 51 -22.036 5.353 -21.367 1.00 0.00 H ATOM 537 HB2 LYS A 51 -24.409 5.207 -21.796 1.00 0.00 H ATOM 538 HB3 LYS A 51 -24.211 5.924 -23.412 1.00 0.00 H ATOM 539 HG2 LYS A 51 -22.927 3.802 -24.042 1.00 0.00 H ATOM 540 HG3 LYS A 51 -23.525 3.111 -22.515 1.00 0.00 H ATOM 541 HD2 LYS A 51 -25.863 3.966 -23.309 1.00 0.00 H ATOM 542 HD3 LYS A 51 -25.106 4.085 -24.915 1.00 0.00 H ATOM 543 HE2 LYS A 51 -24.738 1.461 -23.668 1.00 0.00 H ATOM 544 HE3 LYS A 51 -25.320 1.892 -25.293 1.00 0.00 H ATOM 545 HZ1 LYS A 51 -26.944 1.985 -22.783 1.00 0.00 H ATOM 546 HZ2 LYS A 51 -27.500 2.397 -24.335 1.00 0.00 H ATOM 547 HZ3 LYS A 51 -27.054 0.794 -23.990 1.00 0.00 H ATOM 548 H LYS A 51 -23.612 7.686 -21.818 1.00 0.00 H ATOM 549 N GLU A 52 -21.520 6.781 -24.327 1.00 16.71 N ATOM 550 CA GLU A 52 -20.571 6.785 -25.439 1.00 18.08 C ATOM 551 C GLU A 52 -19.185 7.175 -24.909 1.00 17.00 C ATOM 552 O GLU A 52 -18.212 6.452 -25.111 1.00 15.53 O ATOM 553 CB GLU A 52 -21.002 7.750 -26.549 1.00 19.30 C ATOM 554 CG GLU A 52 -22.312 7.371 -27.223 1.00 22.80 C ATOM 555 CD GLU A 52 -22.714 8.360 -28.292 1.00 25.33 C ATOM 556 OE1 GLU A 52 -22.730 9.570 -27.990 1.00 24.47 O ATOM 557 OE2 GLU A 52 -23.013 7.928 -29.430 1.00 29.79 O ATOM 558 HA GLU A 52 -20.540 5.785 -25.872 1.00 0.00 H ATOM 559 HB2 GLU A 52 -21.114 8.744 -26.115 1.00 0.00 H ATOM 560 HB3 GLU A 52 -20.220 7.772 -27.308 1.00 0.00 H ATOM 561 HG2 GLU A 52 -22.200 6.387 -27.679 1.00 0.00 H ATOM 562 HG3 GLU A 52 -23.097 7.333 -26.468 1.00 0.00 H ATOM 563 H GLU A 52 -22.259 7.511 -24.266 1.00 0.00 H ATOM 564 N VAL A 53 -19.101 8.305 -24.214 1.00 16.22 N ATOM 565 CA VAL A 53 -17.814 8.731 -23.678 1.00 16.94 C ATOM 566 C VAL A 53 -17.119 7.615 -22.887 1.00 17.09 C ATOM 567 O VAL A 53 -15.950 7.339 -23.106 1.00 16.47 O ATOM 568 CB VAL A 53 -17.942 9.992 -22.786 1.00 15.60 C ATOM 569 CG1 VAL A 53 -16.575 10.355 -22.201 1.00 17.25 C ATOM 570 CG2 VAL A 53 -18.470 11.168 -23.614 1.00 16.26 C ATOM 571 HA VAL A 53 -17.200 8.978 -24.544 1.00 0.00 H ATOM 572 HB VAL A 53 -18.639 9.781 -21.975 1.00 0.00 H ATOM 573 HG11 VAL A 53 -16.206 9.524 -21.600 1.00 0.00 H ATOM 574 HG12 VAL A 53 -15.876 10.557 -23.013 1.00 0.00 H ATOM 575 HG13 VAL A 53 -16.673 11.242 -21.575 1.00 0.00 H ATOM 576 HG21 VAL A 53 -17.779 11.375 -24.431 1.00 0.00 H ATOM 577 HG22 VAL A 53 -19.449 10.914 -24.020 1.00 0.00 H ATOM 578 HG23 VAL A 53 -18.556 12.049 -22.978 1.00 0.00 H ATOM 579 H VAL A 53 -19.950 8.883 -24.053 1.00 0.00 H ATOM 580 N LEU A 54 -17.832 6.948 -21.987 1.00 18.09 N ATOM 581 CA LEU A 54 -17.194 5.897 -21.208 1.00 17.70 C ATOM 582 C LEU A 54 -16.755 4.705 -22.044 1.00 17.49 C ATOM 583 O LEU A 54 -15.680 4.150 -21.813 1.00 16.01 O ATOM 584 CB LEU A 54 -18.105 5.411 -20.096 1.00 18.26 C ATOM 585 CG LEU A 54 -18.211 6.310 -18.867 1.00 22.08 C ATOM 586 CD1 LEU A 54 -19.402 5.810 -18.047 1.00 24.20 C ATOM 587 CD2 LEU A 54 -16.909 6.290 -18.077 1.00 21.98 C ATOM 588 HA LEU A 54 -16.298 6.353 -20.787 1.00 0.00 H ATOM 589 HB2 LEU A 54 -19.106 5.298 -20.512 1.00 0.00 H ATOM 590 HB3 LEU A 54 -17.738 4.439 -19.766 1.00 0.00 H ATOM 591 HG LEU A 54 -18.374 7.351 -19.147 1.00 0.00 H ATOM 592 HD21 LEU A 54 -16.697 5.271 -17.754 1.00 0.00 H ATOM 593 HD22 LEU A 54 -16.096 6.648 -18.709 1.00 0.00 H ATOM 594 HD23 LEU A 54 -17.005 6.937 -17.205 1.00 0.00 H ATOM 595 HD11 LEU A 54 -20.308 5.873 -18.650 1.00 0.00 H ATOM 596 HD12 LEU A 54 -19.230 4.774 -17.753 1.00 0.00 H ATOM 597 HD13 LEU A 54 -19.513 6.428 -17.156 1.00 0.00 H ATOM 598 H LEU A 54 -18.836 7.174 -21.840 1.00 0.00 H ATOM 599 N PHE A 55 -17.589 4.289 -22.989 1.00 16.40 N ATOM 600 CA PHE A 55 -17.226 3.178 -23.864 1.00 16.79 C ATOM 601 C PHE A 55 -15.964 3.528 -24.659 1.00 16.17 C ATOM 602 O PHE A 55 -15.015 2.759 -24.657 1.00 16.91 O ATOM 603 CB PHE A 55 -18.352 2.856 -24.852 1.00 17.65 C ATOM 604 CG PHE A 55 -17.939 1.896 -25.946 1.00 16.97 C ATOM 605 CD1 PHE A 55 -17.783 0.538 -25.683 1.00 19.35 C ATOM 606 CD2 PHE A 55 -17.689 2.358 -27.232 1.00 20.05 C ATOM 607 CE1 PHE A 55 -17.369 -0.354 -26.689 1.00 19.03 C ATOM 608 CE2 PHE A 55 -17.274 1.474 -28.250 1.00 21.34 C ATOM 609 CZ PHE A 55 -17.122 0.119 -27.972 1.00 18.95 C ATOM 610 HA PHE A 55 -17.047 2.307 -23.233 1.00 0.00 H ATOM 611 HB2 PHE A 55 -19.181 2.414 -24.299 1.00 0.00 H ATOM 612 HB3 PHE A 55 -18.682 3.786 -25.315 1.00 0.00 H ATOM 613 HD2 PHE A 55 -17.815 3.417 -27.457 1.00 0.00 H ATOM 614 HE2 PHE A 55 -17.073 1.852 -29.252 1.00 0.00 H ATOM 615 HZ PHE A 55 -16.810 -0.569 -28.758 1.00 0.00 H ATOM 616 HE1 PHE A 55 -17.242 -1.413 -26.463 1.00 0.00 H ATOM 617 HD1 PHE A 55 -17.985 0.159 -24.681 1.00 0.00 H ATOM 618 H PHE A 55 -18.509 4.759 -23.107 1.00 0.00 H ATOM 619 N TYR A 56 -15.970 4.678 -25.339 1.00 16.17 N ATOM 620 CA TYR A 56 -14.820 5.105 -26.153 1.00 15.62 C ATOM 621 C TYR A 56 -13.536 5.244 -25.336 1.00 17.10 C ATOM 622 O TYR A 56 -12.456 4.888 -25.808 1.00 14.94 O ATOM 623 CB TYR A 56 -15.132 6.421 -26.888 1.00 15.64 C ATOM 624 CG TYR A 56 -16.147 6.249 -28.007 1.00 19.40 C ATOM 625 CD1 TYR A 56 -16.006 5.223 -28.948 1.00 20.24 C ATOM 626 CD2 TYR A 56 -17.266 7.075 -28.101 1.00 21.19 C ATOM 627 CE1 TYR A 56 -16.953 5.017 -29.946 1.00 20.67 C ATOM 628 CE2 TYR A 56 -18.221 6.880 -29.100 1.00 21.97 C ATOM 629 CZ TYR A 56 -18.059 5.847 -30.019 1.00 22.90 C ATOM 630 OH TYR A 56 -19.005 5.624 -30.999 1.00 23.43 O ATOM 631 HA TYR A 56 -14.647 4.317 -26.886 1.00 0.00 H ATOM 632 HB3 TYR A 56 -14.207 6.809 -27.314 1.00 0.00 H ATOM 633 HB2 TYR A 56 -15.527 7.137 -26.167 1.00 0.00 H ATOM 634 HD2 TYR A 56 -17.397 7.885 -27.384 1.00 0.00 H ATOM 635 HE2 TYR A 56 -19.091 7.534 -29.160 1.00 0.00 H ATOM 636 HE1 TYR A 56 -16.825 4.208 -30.665 1.00 0.00 H ATOM 637 HD1 TYR A 56 -15.134 4.570 -28.898 1.00 0.00 H ATOM 638 HH TYR A 56 -19.088 6.431 -31.566 1.00 0.00 H ATOM 639 H TYR A 56 -16.811 5.289 -25.292 1.00 0.00 H ATOM 640 N LEU A 57 -13.664 5.758 -24.116 1.00 16.54 N ATOM 641 CA LEU A 57 -12.515 5.916 -23.233 1.00 18.07 C ATOM 642 C LEU A 57 -12.015 4.534 -22.832 1.00 18.25 C ATOM 643 O LEU A 57 -10.812 4.275 -22.790 1.00 16.03 O ATOM 644 CB LEU A 57 -12.894 6.705 -21.970 1.00 20.30 C ATOM 645 CG LEU A 57 -12.491 8.183 -21.892 1.00 20.33 C ATOM 646 CD1 LEU A 57 -13.073 8.808 -20.646 1.00 21.71 C ATOM 647 CD2 LEU A 57 -10.978 8.303 -21.885 1.00 23.95 C ATOM 648 HA LEU A 57 -11.737 6.469 -23.760 1.00 0.00 H ATOM 649 HB2 LEU A 57 -13.979 6.660 -21.873 1.00 0.00 H ATOM 650 HB3 LEU A 57 -12.433 6.199 -21.122 1.00 0.00 H ATOM 651 HG LEU A 57 -12.881 8.710 -22.763 1.00 0.00 H ATOM 652 HD21 LEU A 57 -10.577 7.773 -21.021 1.00 0.00 H ATOM 653 HD22 LEU A 57 -10.576 7.867 -22.799 1.00 0.00 H ATOM 654 HD23 LEU A 57 -10.698 9.355 -21.829 1.00 0.00 H ATOM 655 HD11 LEU A 57 -14.160 8.732 -20.676 1.00 0.00 H ATOM 656 HD12 LEU A 57 -12.695 8.284 -19.768 1.00 0.00 H ATOM 657 HD13 LEU A 57 -12.782 9.857 -20.598 1.00 0.00 H ATOM 658 H LEU A 57 -14.604 6.054 -23.785 1.00 0.00 H ATOM 659 N GLY A 58 -12.957 3.646 -22.533 1.00 17.29 N ATOM 660 CA GLY A 58 -12.601 2.300 -22.146 1.00 17.69 C ATOM 661 C GLY A 58 -11.980 1.559 -23.315 1.00 18.45 C ATOM 662 O GLY A 58 -11.130 0.692 -23.118 1.00 19.44 O ATOM 663 HA3 GLY A 58 -13.497 1.771 -21.820 1.00 0.00 H ATOM 664 HA2 GLY A 58 -11.885 2.340 -21.325 1.00 0.00 H ATOM 665 H GLY A 58 -13.959 3.922 -22.578 1.00 0.00 H ATOM 666 N GLN A 59 -12.404 1.900 -24.535 1.00 17.61 N ATOM 667 CA GLN A 59 -11.874 1.267 -25.751 1.00 18.11 C ATOM 668 C GLN A 59 -10.489 1.782 -26.048 1.00 17.24 C ATOM 669 O GLN A 59 -9.633 1.040 -26.528 1.00 15.83 O ATOM 670 CB GLN A 59 -12.769 1.527 -26.977 1.00 20.98 C ATOM 671 CG GLN A 59 -13.995 0.642 -27.022 1.00 20.96 C ATOM 672 CD GLN A 59 -13.664 -0.848 -26.960 1.00 25.56 C ATOM 673 OE1 GLN A 59 -13.449 -1.501 -27.994 1.00 27.32 O ATOM 674 NE2 GLN A 59 -13.567 -1.374 -25.757 1.00 25.29 N ATOM 675 HA GLN A 59 -11.848 0.194 -25.562 1.00 0.00 H ATOM 676 HB2 GLN A 59 -13.094 2.567 -26.954 1.00 0.00 H ATOM 677 HB3 GLN A 59 -12.182 1.351 -27.878 1.00 0.00 H ATOM 678 HG2 GLN A 59 -14.634 0.891 -26.174 1.00 0.00 H ATOM 679 HG3 GLN A 59 -14.532 0.840 -27.950 1.00 0.00 H ATOM 680 HE22 GLN A 59 -13.756 -0.790 -24.917 1.00 0.00 H ATOM 681 HE21 GLN A 59 -13.301 -2.373 -25.646 1.00 0.00 H ATOM 682 H GLN A 59 -13.132 2.637 -24.627 1.00 0.00 H ATOM 683 N TYR A 60 -10.284 3.064 -25.783 1.00 16.05 N ATOM 684 CA TYR A 60 -8.998 3.709 -25.996 1.00 15.74 C ATOM 685 C TYR A 60 -7.956 3.071 -25.068 1.00 15.77 C ATOM 686 O TYR A 60 -6.819 2.803 -25.474 1.00 14.98 O ATOM 687 CB TYR A 60 -9.125 5.206 -25.698 1.00 14.85 C ATOM 688 CG TYR A 60 -7.812 5.940 -25.759 1.00 14.82 C ATOM 689 CD1 TYR A 60 -7.289 6.385 -26.968 1.00 16.13 C ATOM 690 CD2 TYR A 60 -7.084 6.182 -24.596 1.00 16.68 C ATOM 691 CE1 TYR A 60 -6.062 7.064 -27.010 1.00 18.92 C ATOM 692 CE2 TYR A 60 -5.875 6.846 -24.626 1.00 17.30 C ATOM 693 CZ TYR A 60 -5.363 7.288 -25.830 1.00 18.71 C ATOM 694 OH TYR A 60 -4.143 7.931 -25.842 1.00 19.86 O ATOM 695 HA TYR A 60 -8.683 3.580 -27.031 1.00 0.00 H ATOM 696 HB3 TYR A 60 -9.542 5.326 -24.698 1.00 0.00 H ATOM 697 HB2 TYR A 60 -9.803 5.648 -26.428 1.00 0.00 H ATOM 698 HD2 TYR A 60 -7.479 5.839 -23.640 1.00 0.00 H ATOM 699 HE2 TYR A 60 -5.325 7.021 -23.701 1.00 0.00 H ATOM 700 HE1 TYR A 60 -5.660 7.413 -27.961 1.00 0.00 H ATOM 701 HD1 TYR A 60 -7.838 6.205 -27.892 1.00 0.00 H ATOM 702 HH TYR A 60 -3.448 7.324 -25.484 1.00 0.00 H ATOM 703 H TYR A 60 -11.072 3.630 -25.409 1.00 0.00 H ATOM 704 N ILE A 61 -8.369 2.826 -23.827 1.00 15.57 N ATOM 705 CA ILE A 61 -7.528 2.207 -22.809 1.00 17.13 C ATOM 706 C ILE A 61 -7.184 0.746 -23.153 1.00 18.01 C ATOM 707 O ILE A 61 -6.063 0.313 -22.947 1.00 17.20 O ATOM 708 CB ILE A 61 -8.232 2.236 -21.419 1.00 17.23 C ATOM 709 CG1 ILE A 61 -8.318 3.680 -20.898 1.00 17.86 C ATOM 710 CG2 ILE A 61 -7.486 1.348 -20.429 1.00 16.80 C ATOM 711 CD1 ILE A 61 -9.182 3.837 -19.635 1.00 15.59 C ATOM 712 HA ILE A 61 -6.605 2.787 -22.775 1.00 0.00 H ATOM 713 HB ILE A 61 -9.245 1.849 -21.529 1.00 0.00 H ATOM 714 HG12 ILE A 61 -7.309 4.023 -20.669 1.00 0.00 H ATOM 715 HG13 ILE A 61 -8.743 4.304 -21.684 1.00 0.00 H ATOM 716 HD11 ILE A 61 -10.199 3.510 -19.849 1.00 0.00 H ATOM 717 HD12 ILE A 61 -8.765 3.228 -18.833 1.00 0.00 H ATOM 718 HD13 ILE A 61 -9.192 4.884 -19.331 1.00 0.00 H ATOM 719 HG21 ILE A 61 -7.473 0.323 -20.800 1.00 0.00 H ATOM 720 HG22 ILE A 61 -6.463 1.709 -20.318 1.00 0.00 H ATOM 721 HG23 ILE A 61 -7.990 1.379 -19.463 1.00 0.00 H ATOM 722 H ILE A 61 -9.342 3.090 -23.570 1.00 0.00 H ATOM 723 N MET A 62 -8.142 -0.010 -23.683 1.00 18.26 N ATOM 724 CA MET A 62 -7.864 -1.406 -24.001 1.00 20.83 C ATOM 725 C MET A 62 -7.044 -1.604 -25.266 1.00 22.63 C ATOM 726 O MET A 62 -6.157 -2.457 -25.317 1.00 24.12 O ATOM 727 CB MET A 62 -9.165 -2.205 -24.085 1.00 20.81 C ATOM 728 CG MET A 62 -9.888 -2.280 -22.758 1.00 21.16 C ATOM 729 SD MET A 62 -8.735 -2.770 -21.479 1.00 24.63 S ATOM 730 CE MET A 62 -8.709 -4.464 -21.673 1.00 24.23 C ATOM 731 HA MET A 62 -7.249 -1.779 -23.182 1.00 0.00 H ATOM 732 HB2 MET A 62 -9.821 -1.729 -24.814 1.00 0.00 H ATOM 733 HB3 MET A 62 -8.932 -3.218 -24.414 1.00 0.00 H ATOM 734 HG2 MET A 62 -10.693 -3.013 -22.823 1.00 0.00 H ATOM 735 HG3 MET A 62 -10.307 -1.303 -22.516 1.00 0.00 H ATOM 736 HE1 MET A 62 -9.713 -4.861 -21.523 1.00 0.00 H ATOM 737 HE2 MET A 62 -8.367 -4.708 -22.679 1.00 0.00 H ATOM 738 HE3 MET A 62 -8.031 -4.902 -20.941 1.00 0.00 H ATOM 739 H MET A 62 -9.083 0.392 -23.869 1.00 0.00 H ATOM 740 N THR A 63 -7.317 -0.808 -26.287 1.00 23.76 N ATOM 741 CA THR A 63 -6.571 -0.951 -27.524 1.00 25.63 C ATOM 742 C THR A 63 -5.122 -0.485 -27.336 1.00 25.91 C ATOM 743 O THR A 63 -4.209 -0.950 -28.026 1.00 26.93 O ATOM 744 CB THR A 63 -7.247 -0.179 -28.659 1.00 24.79 C ATOM 745 OG1 THR A 63 -7.324 1.202 -28.307 1.00 27.54 O ATOM 746 CG2 THR A 63 -8.662 -0.709 -28.890 1.00 25.38 C ATOM 747 HA THR A 63 -6.558 -2.007 -27.795 1.00 0.00 H ATOM 748 HB THR A 63 -6.662 -0.306 -29.570 1.00 0.00 H ATOM 749 HG1 THR A 63 -7.853 1.301 -27.476 1.00 0.00 H ATOM 750 HG23 THR A 63 -8.614 -1.764 -29.160 1.00 0.00 H ATOM 751 HG21 THR A 63 -9.246 -0.592 -27.977 1.00 0.00 H ATOM 752 HG22 THR A 63 -9.132 -0.147 -29.697 1.00 0.00 H ATOM 753 H THR A 63 -8.060 -0.085 -26.204 1.00 0.00 H ATOM 754 N LYS A 64 -4.897 0.430 -26.405 1.00 26.54 N ATOM 755 CA LYS A 64 -3.532 0.883 -26.152 1.00 26.74 C ATOM 756 C LYS A 64 -2.935 0.120 -24.987 1.00 26.65 C ATOM 757 O LYS A 64 -1.799 0.374 -24.551 1.00 26.60 O ATOM 758 CB LYS A 64 -3.496 2.374 -25.867 1.00 26.45 C ATOM 759 CG LYS A 64 -3.986 3.199 -27.010 1.00 25.07 C ATOM 760 CD LYS A 64 -3.541 4.630 -26.858 1.00 28.67 C ATOM 761 CE LYS A 64 -2.100 4.826 -27.342 1.00 30.00 C ATOM 762 NZ LYS A 64 -1.738 6.267 -27.462 1.00 29.05 N ATOM 763 HA LYS A 64 -2.941 0.691 -27.047 1.00 0.00 H ATOM 764 HB2 LYS A 64 -4.122 2.577 -24.998 1.00 0.00 H ATOM 765 HB3 LYS A 64 -2.468 2.661 -25.647 1.00 0.00 H ATOM 766 HG2 LYS A 64 -3.587 2.796 -27.941 1.00 0.00 H ATOM 767 HG3 LYS A 64 -5.075 3.163 -27.038 1.00 0.00 H ATOM 768 HD2 LYS A 64 -4.201 5.270 -27.443 1.00 0.00 H ATOM 769 HD3 LYS A 64 -3.603 4.910 -25.806 1.00 0.00 H ATOM 770 HE2 LYS A 64 -1.990 4.353 -28.318 1.00 0.00 H ATOM 771 HE3 LYS A 64 -1.423 4.352 -26.632 1.00 0.00 H ATOM 772 HZ1 LYS A 64 -2.374 6.727 -28.144 1.00 0.00 H ATOM 773 HZ2 LYS A 64 -1.833 6.726 -26.533 1.00 0.00 H ATOM 774 HZ3 LYS A 64 -0.755 6.350 -27.792 1.00 0.00 H ATOM 775 H LYS A 64 -5.688 0.824 -25.857 1.00 0.00 H ATOM 776 N ARG A 65 -3.707 -0.835 -24.490 1.00 27.22 N ATOM 777 CA ARG A 65 -3.284 -1.668 -23.376 1.00 28.55 C ATOM 778 C ARG A 65 -2.687 -0.888 -22.205 1.00 28.71 C ATOM 779 O ARG A 65 -1.688 -1.287 -21.602 1.00 27.54 O ATOM 780 CB ARG A 65 -2.314 -2.748 -23.874 1.00 31.02 C ATOM 781 CG ARG A 65 -3.022 -3.810 -24.706 1.00 36.09 C ATOM 782 CD ARG A 65 -2.388 -5.196 -24.542 1.00 42.15 C ATOM 783 NE ARG A 65 -1.922 -5.428 -23.179 1.00 46.33 N ATOM 784 CZ ARG A 65 -1.277 -6.524 -22.801 1.00 48.36 C ATOM 785 NH1 ARG A 65 -1.045 -7.492 -23.679 1.00 48.87 N ATOM 786 NH2 ARG A 65 -0.790 -6.622 -21.570 1.00 49.74 N ATOM 787 HA ARG A 65 -4.184 -2.135 -22.977 1.00 0.00 H ATOM 788 HB2 ARG A 65 -1.545 -2.276 -24.486 1.00 0.00 H ATOM 789 HB3 ARG A 65 -1.848 -3.227 -23.013 1.00 0.00 H ATOM 790 HG2 ARG A 65 -4.065 -3.862 -24.394 1.00 0.00 H ATOM 791 HG3 ARG A 65 -2.972 -3.524 -25.756 1.00 0.00 H ATOM 792 HD2 ARG A 65 -1.540 -5.278 -25.222 1.00 0.00 H ATOM 793 HD3 ARG A 65 -3.129 -5.954 -24.794 1.00 0.00 H ATOM 794 HE ARG A 65 -2.105 -4.694 -22.465 1.00 0.00 H ATOM 795 HH12 ARG A 65 -0.539 -8.352 -23.384 1.00 0.00 H ATOM 796 HH11 ARG A 65 -1.369 -7.391 -24.662 1.00 0.00 H ATOM 797 HH22 ARG A 65 -0.285 -7.483 -21.278 1.00 0.00 H ATOM 798 HH21 ARG A 65 -0.913 -5.838 -20.898 1.00 0.00 H ATOM 799 H ARG A 65 -4.645 -0.994 -24.910 1.00 0.00 H ATOM 800 N LEU A 66 -3.314 0.239 -21.886 1.00 27.99 N ATOM 801 CA LEU A 66 -2.876 1.040 -20.759 1.00 26.90 C ATOM 802 C LEU A 66 -3.396 0.311 -19.527 1.00 27.43 C ATOM 803 O LEU A 66 -3.055 0.642 -18.388 1.00 26.33 O ATOM 804 CB LEU A 66 -3.489 2.432 -20.837 1.00 27.59 C ATOM 805 CG LEU A 66 -3.088 3.243 -22.062 1.00 28.19 C ATOM 806 CD1 LEU A 66 -3.847 4.565 -22.059 1.00 28.19 C ATOM 807 CD2 LEU A 66 -1.599 3.485 -22.034 1.00 28.00 C ATOM 808 HA LEU A 66 -1.793 1.161 -20.739 1.00 0.00 H ATOM 809 HB2 LEU A 66 -4.574 2.325 -20.842 1.00 0.00 H ATOM 810 HB3 LEU A 66 -3.184 2.986 -19.949 1.00 0.00 H ATOM 811 HG LEU A 66 -3.337 2.697 -22.972 1.00 0.00 H ATOM 812 HD21 LEU A 66 -1.339 4.035 -21.130 1.00 0.00 H ATOM 813 HD22 LEU A 66 -1.077 2.528 -22.042 1.00 0.00 H ATOM 814 HD23 LEU A 66 -1.310 4.065 -22.910 1.00 0.00 H ATOM 815 HD11 LEU A 66 -4.919 4.367 -22.085 1.00 0.00 H ATOM 816 HD12 LEU A 66 -3.601 5.122 -21.155 1.00 0.00 H ATOM 817 HD13 LEU A 66 -3.562 5.148 -22.935 1.00 0.00 H ATOM 818 H LEU A 66 -4.129 0.551 -22.452 1.00 0.00 H ATOM 819 N TYR A 67 -4.242 -0.681 -19.783 1.00 27.77 N ATOM 820 CA TYR A 67 -4.840 -1.503 -18.741 1.00 29.47 C ATOM 821 C TYR A 67 -4.606 -2.958 -19.062 1.00 31.87 C ATOM 822 O TYR A 67 -5.169 -3.500 -20.019 1.00 31.06 O ATOM 823 CB TYR A 67 -6.354 -1.280 -18.645 1.00 27.67 C ATOM 824 CG TYR A 67 -7.017 -2.141 -17.595 1.00 26.76 C ATOM 825 CD1 TYR A 67 -8.280 -2.695 -17.805 1.00 27.71 C ATOM 826 CD2 TYR A 67 -6.387 -2.384 -16.379 1.00 28.34 C ATOM 827 CE1 TYR A 67 -8.897 -3.477 -16.821 1.00 27.67 C ATOM 828 CE2 TYR A 67 -6.986 -3.151 -15.395 1.00 28.29 C ATOM 829 CZ TYR A 67 -8.240 -3.695 -15.619 1.00 29.18 C ATOM 830 OH TYR A 67 -8.837 -4.448 -14.635 1.00 28.80 O ATOM 831 HA TYR A 67 -4.379 -1.224 -17.793 1.00 0.00 H ATOM 832 HB3 TYR A 67 -6.800 -1.508 -19.613 1.00 0.00 H ATOM 833 HB2 TYR A 67 -6.536 -0.233 -18.400 1.00 0.00 H ATOM 834 HD2 TYR A 67 -5.399 -1.961 -16.197 1.00 0.00 H ATOM 835 HE2 TYR A 67 -6.474 -3.326 -14.449 1.00 0.00 H ATOM 836 HE1 TYR A 67 -9.882 -3.909 -16.997 1.00 0.00 H ATOM 837 HD1 TYR A 67 -8.794 -2.516 -18.749 1.00 0.00 H ATOM 838 HH TYR A 67 -9.722 -4.760 -14.951 1.00 0.00 H ATOM 839 H TYR A 67 -4.488 -0.879 -20.774 1.00 0.00 H ATOM 840 N ASP A 68 -3.767 -3.595 -18.259 1.00 36.02 N ATOM 841 CA ASP A 68 -3.483 -5.011 -18.437 1.00 38.94 C ATOM 842 C ASP A 68 -4.334 -5.617 -17.331 1.00 39.82 C ATOM 843 O ASP A 68 -4.096 -5.385 -16.142 1.00 39.73 O ATOM 844 CB ASP A 68 -1.988 -5.294 -18.235 1.00 41.31 C ATOM 845 CG ASP A 68 -1.598 -6.688 -18.700 1.00 44.03 C ATOM 846 OD1 ASP A 68 -2.382 -7.627 -18.445 1.00 45.21 O ATOM 847 OD2 ASP A 68 -0.516 -6.857 -19.314 1.00 46.37 O ATOM 848 HA ASP A 68 -3.705 -5.406 -19.429 1.00 0.00 H ATOM 849 HB2 ASP A 68 -1.412 -4.561 -18.801 1.00 0.00 H ATOM 850 HB3 ASP A 68 -1.753 -5.199 -17.175 1.00 0.00 H ATOM 851 H ASP A 68 -3.303 -3.074 -17.488 1.00 0.00 H ATOM 852 N GLU A 69 -5.367 -6.340 -17.731 1.00 41.48 N ATOM 853 CA GLU A 69 -6.291 -6.928 -16.777 1.00 43.15 C ATOM 854 C GLU A 69 -5.599 -7.783 -15.723 1.00 43.23 C ATOM 855 O GLU A 69 -6.209 -8.153 -14.726 1.00 43.02 O ATOM 856 CB GLU A 69 -7.299 -7.746 -17.577 1.00 45.13 C ATOM 857 CG GLU A 69 -7.937 -6.783 -18.599 1.00 47.80 C ATOM 858 CD GLU A 69 -9.384 -6.467 -18.268 1.00 50.43 C ATOM 859 OE1 GLU A 69 -9.903 -7.091 -17.291 1.00 51.85 O ATOM 860 OE2 GLU A 69 -10.022 -5.628 -18.943 1.00 52.21 O ATOM 861 HA GLU A 69 -6.783 -6.134 -16.216 1.00 0.00 H ATOM 862 HB2 GLU A 69 -6.795 -8.563 -18.093 1.00 0.00 H ATOM 863 HB3 GLU A 69 -8.064 -8.153 -16.915 1.00 0.00 H ATOM 864 HG2 GLU A 69 -7.368 -5.853 -18.607 1.00 0.00 H ATOM 865 HG3 GLU A 69 -7.895 -7.242 -19.587 1.00 0.00 H ATOM 866 H GLU A 69 -5.521 -6.490 -18.749 1.00 0.00 H ATOM 867 N LYS A 70 -4.322 -8.077 -15.972 1.00 43.26 N ATOM 868 CA LYS A 70 -3.501 -8.858 -15.067 1.00 43.16 C ATOM 869 C LYS A 70 -2.735 -8.015 -14.047 1.00 42.57 C ATOM 870 O LYS A 70 -2.029 -8.574 -13.215 1.00 43.04 O ATOM 871 CB LYS A 70 -2.526 -9.752 -15.894 1.00 42.90 C ATOM 872 HA LYS A 70 -4.176 -9.481 -14.480 1.00 0.00 H ATOM 873 HB2 LYS A 70 -3.102 -10.421 -16.533 1.00 0.00 H ATOM 874 HB3 LYS A 70 -1.888 -9.118 -16.510 1.00 0.00 H ATOM 875 H LYS A 70 -3.896 -7.730 -16.855 1.00 0.00 H ATOM 876 N GLN A 71 -2.858 -6.689 -14.128 1.00 42.33 N ATOM 877 CA GLN A 71 -2.158 -5.827 -13.190 1.00 41.44 C ATOM 878 C GLN A 71 -3.104 -5.156 -12.219 1.00 40.18 C ATOM 879 O GLN A 71 -3.093 -3.950 -12.006 1.00 39.08 O ATOM 880 CB GLN A 71 -1.269 -4.847 -13.963 1.00 42.70 C ATOM 881 CG GLN A 71 -0.456 -5.797 -14.846 1.00 43.35 C ATOM 882 CD GLN A 71 0.674 -5.252 -15.695 1.00 44.47 C ATOM 883 OE1 GLN A 71 0.800 -4.040 -15.959 1.00 45.27 O ATOM 884 NE2 GLN A 71 1.491 -6.168 -16.168 1.00 45.61 N ATOM 885 HA GLN A 71 -1.506 -6.434 -12.562 1.00 0.00 H ATOM 886 HB2 GLN A 71 -1.864 -4.158 -14.562 1.00 0.00 H ATOM 887 HB3 GLN A 71 -0.625 -4.279 -13.291 1.00 0.00 H ATOM 888 HG2 GLN A 71 -0.022 -6.548 -14.186 1.00 0.00 H ATOM 889 HG3 GLN A 71 -1.160 -6.276 -15.526 1.00 0.00 H ATOM 890 HE22 GLN A 71 1.349 -7.168 -15.922 1.00 0.00 H ATOM 891 HE21 GLN A 71 2.279 -5.892 -16.788 1.00 0.00 H ATOM 892 H GLN A 71 -3.458 -6.270 -14.867 1.00 0.00 H ATOM 893 N GLN A 72 -3.923 -6.009 -11.633 1.00 38.31 N ATOM 894 CA GLN A 72 -4.857 -5.637 -10.618 1.00 37.40 C ATOM 895 C GLN A 72 -5.645 -4.329 -10.769 1.00 36.27 C ATOM 896 O GLN A 72 -5.475 -3.402 -9.992 1.00 36.26 O ATOM 897 CB GLN A 72 -4.121 -5.688 -9.260 1.00 37.74 C ATOM 898 CG GLN A 72 -3.876 -4.360 -8.536 1.00 39.17 C ATOM 899 CD GLN A 72 -2.422 -4.077 -8.161 1.00 40.59 C ATOM 900 OE1 GLN A 72 -1.918 -2.973 -8.462 1.00 40.08 O ATOM 901 NE2 GLN A 72 -1.759 -5.012 -7.494 1.00 38.51 N ATOM 902 HA GLN A 72 -5.662 -6.367 -10.709 1.00 0.00 H ATOM 903 HB2 GLN A 72 -4.709 -6.320 -8.594 1.00 0.00 H ATOM 904 HB3 GLN A 72 -3.149 -6.150 -9.433 1.00 0.00 H ATOM 905 HG2 GLN A 72 -4.219 -3.554 -9.185 1.00 0.00 H ATOM 906 HG3 GLN A 72 -4.466 -4.363 -7.619 1.00 0.00 H ATOM 907 HE22 GLN A 72 -2.222 -5.915 -7.267 1.00 0.00 H ATOM 908 HE21 GLN A 72 -0.777 -4.842 -7.198 1.00 0.00 H ATOM 909 H GLN A 72 -3.886 -7.006 -11.926 1.00 0.00 H ATOM 910 N HIS A 73 -6.526 -4.261 -11.765 1.00 34.27 N ATOM 911 CA HIS A 73 -7.392 -3.101 -11.972 1.00 32.17 C ATOM 912 C HIS A 73 -6.802 -1.707 -12.064 1.00 30.32 C ATOM 913 O HIS A 73 -7.556 -0.718 -11.987 1.00 27.95 O ATOM 914 CB HIS A 73 -8.433 -3.052 -10.864 1.00 33.11 C ATOM 915 CG HIS A 73 -9.207 -4.315 -10.708 1.00 35.24 C ATOM 916 ND1 HIS A 73 -9.611 -4.788 -9.483 1.00 37.07 N ATOM 917 CD2 HIS A 73 -9.691 -5.182 -11.633 1.00 35.13 C ATOM 918 CE1 HIS A 73 -10.319 -5.896 -9.654 1.00 37.83 C ATOM 919 NE2 HIS A 73 -10.379 -6.149 -10.948 1.00 36.88 N ATOM 920 HA HIS A 73 -7.761 -3.298 -12.979 1.00 0.00 H ATOM 921 HB2 HIS A 73 -7.924 -2.842 -9.923 1.00 0.00 H ATOM 922 HB3 HIS A 73 -9.132 -2.245 -11.085 1.00 0.00 H ATOM 923 HD2 HIS A 73 -9.558 -5.121 -12.713 1.00 0.00 H ATOM 924 HE1 HIS A 73 -10.773 -6.494 -8.863 1.00 0.00 H ATOM 925 H HIS A 73 -6.601 -5.064 -12.421 1.00 0.00 H ATOM 926 N ILE A 74 -5.490 -1.577 -12.214 1.00 27.26 N ATOM 927 CA ILE A 74 -4.964 -0.226 -12.286 1.00 23.17 C ATOM 928 C ILE A 74 -4.511 0.138 -13.713 1.00 21.77 C ATOM 929 O ILE A 74 -3.846 -0.650 -14.389 1.00 21.21 O ATOM 930 CB ILE A 74 -3.830 -0.034 -11.209 1.00 24.64 C ATOM 931 CG1 ILE A 74 -4.439 0.142 -9.797 1.00 23.39 C ATOM 932 CG2 ILE A 74 -3.056 1.201 -11.500 1.00 21.20 C ATOM 933 CD1 ILE A 74 -5.675 -0.698 -9.476 1.00 27.46 C ATOM 934 HA ILE A 74 -5.763 0.477 -12.049 1.00 0.00 H ATOM 935 HB ILE A 74 -3.193 -0.918 -11.244 1.00 0.00 H ATOM 936 HG12 ILE A 74 -3.668 -0.112 -9.070 1.00 0.00 H ATOM 937 HG13 ILE A 74 -4.713 1.191 -9.683 1.00 0.00 H ATOM 938 HD11 ILE A 74 -6.472 -0.451 -10.177 1.00 0.00 H ATOM 939 HD12 ILE A 74 -5.427 -1.756 -9.564 1.00 0.00 H ATOM 940 HD13 ILE A 74 -6.004 -0.484 -8.459 1.00 0.00 H ATOM 941 HG21 ILE A 74 -2.603 1.120 -12.488 1.00 0.00 H ATOM 942 HG22 ILE A 74 -3.724 2.062 -11.475 1.00 0.00 H ATOM 943 HG23 ILE A 74 -2.275 1.324 -10.750 1.00 0.00 H ATOM 944 H ILE A 74 -4.866 -2.407 -12.277 1.00 0.00 H ATOM 945 N VAL A 75 -4.960 1.307 -14.180 1.00 19.65 N ATOM 946 CA VAL A 75 -4.638 1.835 -15.514 1.00 18.04 C ATOM 947 C VAL A 75 -3.417 2.738 -15.371 1.00 18.62 C ATOM 948 O VAL A 75 -3.413 3.658 -14.552 1.00 17.19 O ATOM 949 CB VAL A 75 -5.789 2.695 -16.091 1.00 16.92 C ATOM 950 CG1 VAL A 75 -5.385 3.308 -17.429 1.00 17.50 C ATOM 951 CG2 VAL A 75 -7.031 1.858 -16.239 1.00 16.15 C ATOM 952 HA VAL A 75 -4.465 0.993 -16.185 1.00 0.00 H ATOM 953 HB VAL A 75 -5.999 3.511 -15.399 1.00 0.00 H ATOM 954 HG11 VAL A 75 -4.508 3.940 -17.288 1.00 0.00 H ATOM 955 HG12 VAL A 75 -5.150 2.512 -18.136 1.00 0.00 H ATOM 956 HG13 VAL A 75 -6.209 3.908 -17.816 1.00 0.00 H ATOM 957 HG21 VAL A 75 -6.829 1.027 -16.915 1.00 0.00 H ATOM 958 HG22 VAL A 75 -7.325 1.471 -15.263 1.00 0.00 H ATOM 959 HG23 VAL A 75 -7.835 2.472 -16.646 1.00 0.00 H ATOM 960 H VAL A 75 -5.574 1.877 -13.563 1.00 0.00 H ATOM 961 N TYR A 76 -2.396 2.484 -16.172 1.00 17.50 N ATOM 962 CA TYR A 76 -1.171 3.270 -16.112 1.00 19.54 C ATOM 963 C TYR A 76 -1.147 4.224 -17.301 1.00 20.29 C ATOM 964 O TYR A 76 -1.082 3.806 -18.447 1.00 20.32 O ATOM 965 CB TYR A 76 0.036 2.317 -16.105 1.00 19.73 C ATOM 966 CG TYR A 76 0.113 1.482 -14.847 1.00 18.16 C ATOM 967 CD1 TYR A 76 0.681 2.001 -13.682 1.00 20.15 C ATOM 968 CD2 TYR A 76 -0.439 0.200 -14.793 1.00 20.32 C ATOM 969 CE1 TYR A 76 0.698 1.280 -12.501 1.00 19.16 C ATOM 970 CE2 TYR A 76 -0.430 -0.537 -13.603 1.00 19.78 C ATOM 971 CZ TYR A 76 0.141 0.015 -12.466 1.00 20.94 C ATOM 972 OH TYR A 76 0.142 -0.685 -11.292 1.00 21.57 O ATOM 973 HA TYR A 76 -1.126 3.866 -15.200 1.00 0.00 H ATOM 974 HB3 TYR A 76 0.948 2.908 -16.188 1.00 0.00 H ATOM 975 HB2 TYR A 76 -0.042 1.649 -16.963 1.00 0.00 H ATOM 976 HD2 TYR A 76 -0.883 -0.232 -15.690 1.00 0.00 H ATOM 977 HE2 TYR A 76 -0.867 -1.535 -13.570 1.00 0.00 H ATOM 978 HE1 TYR A 76 1.148 1.707 -11.604 1.00 0.00 H ATOM 979 HD1 TYR A 76 1.122 2.998 -13.703 1.00 0.00 H ATOM 980 HH TYR A 76 0.586 -0.148 -10.589 1.00 0.00 H ATOM 981 H TYR A 76 -2.469 1.707 -16.859 1.00 0.00 H ATOM 982 N CYS A 77 -1.210 5.521 -17.026 1.00 22.97 N ATOM 983 CA CYS A 77 -1.244 6.484 -18.112 1.00 23.32 C ATOM 984 C CYS A 77 -0.267 7.648 -18.070 1.00 24.65 C ATOM 985 O CYS A 77 -0.503 8.658 -18.728 1.00 24.89 O ATOM 986 CB CYS A 77 -2.662 7.017 -18.238 1.00 24.43 C ATOM 987 SG CYS A 77 -3.279 7.620 -16.690 1.00 24.23 S ATOM 988 HA CYS A 77 -0.910 5.916 -18.980 1.00 0.00 H ATOM 989 HB2 CYS A 77 -3.311 6.214 -18.588 1.00 0.00 H ATOM 990 HB3 CYS A 77 -2.670 7.831 -18.963 1.00 0.00 H ATOM 991 HG CYS A 77 -2.469 8.643 -16.241 1.00 0.00 H ATOM 992 H CYS A 77 -1.235 5.846 -16.038 1.00 0.00 H ATOM 993 N SER A 78 0.834 7.513 -17.328 1.00 24.63 N ATOM 994 CA SER A 78 1.818 8.591 -17.250 1.00 25.19 C ATOM 995 C SER A 78 2.566 8.807 -18.569 1.00 25.37 C ATOM 996 O SER A 78 3.141 9.868 -18.782 1.00 26.74 O ATOM 997 CB SER A 78 2.842 8.328 -16.133 1.00 24.54 C ATOM 998 OG SER A 78 3.672 7.216 -16.422 1.00 25.82 O ATOM 999 HA SER A 78 1.251 9.495 -17.028 1.00 0.00 H ATOM 1000 HB2 SER A 78 2.307 8.135 -15.203 1.00 0.00 H ATOM 1001 HB3 SER A 78 3.468 9.213 -16.014 1.00 0.00 H ATOM 1002 HG SER A 78 4.168 7.385 -17.262 1.00 0.00 H ATOM 1003 H SER A 78 0.994 6.631 -16.800 1.00 0.00 H ATOM 1004 N ASN A 79 2.561 7.808 -19.445 1.00 25.14 N ATOM 1005 CA ASN A 79 3.242 7.915 -20.737 1.00 25.49 C ATOM 1006 C ASN A 79 2.220 8.107 -21.866 1.00 24.03 C ATOM 1007 O ASN A 79 2.515 7.847 -23.026 1.00 23.73 O ATOM 1008 CB ASN A 79 4.064 6.647 -21.002 1.00 26.16 C ATOM 1009 CG ASN A 79 3.192 5.418 -21.217 1.00 29.60 C ATOM 1010 OD1 ASN A 79 2.012 5.408 -20.857 1.00 29.56 O ATOM 1011 ND2 ASN A 79 3.775 4.371 -21.795 1.00 29.07 N ATOM 1012 HA ASN A 79 3.906 8.779 -20.708 1.00 0.00 H ATOM 1013 HB2 ASN A 79 4.672 6.804 -21.893 1.00 0.00 H ATOM 1014 HB3 ASN A 79 4.715 6.468 -20.147 1.00 0.00 H ATOM 1015 HD22 ASN A 79 4.773 4.425 -22.082 1.00 0.00 H ATOM 1016 HD21 ASN A 79 3.233 3.499 -21.959 1.00 0.00 H ATOM 1017 H ASN A 79 2.061 6.928 -19.207 1.00 0.00 H ATOM 1018 N ASP A 80 1.028 8.592 -21.530 1.00 23.04 N ATOM 1019 CA ASP A 80 -0.002 8.743 -22.546 1.00 22.77 C ATOM 1020 C ASP A 80 -0.795 10.028 -22.388 1.00 22.81 C ATOM 1021 O ASP A 80 -0.853 10.615 -21.311 1.00 21.19 O ATOM 1022 CB ASP A 80 -0.935 7.528 -22.465 1.00 23.84 C ATOM 1023 CG ASP A 80 -1.874 7.409 -23.661 1.00 25.17 C ATOM 1024 OD1 ASP A 80 -2.961 8.033 -23.646 1.00 24.78 O ATOM 1025 OD2 ASP A 80 -1.521 6.683 -24.616 1.00 24.56 O ATOM 1026 HA ASP A 80 0.480 8.799 -23.522 1.00 0.00 H ATOM 1027 HB2 ASP A 80 -0.325 6.626 -22.412 1.00 0.00 H ATOM 1028 HB3 ASP A 80 -1.536 7.612 -21.560 1.00 0.00 H ATOM 1029 H ASP A 80 0.833 8.862 -20.545 1.00 0.00 H ATOM 1030 N LEU A 81 -1.418 10.479 -23.463 1.00 22.22 N ATOM 1031 CA LEU A 81 -2.193 11.688 -23.351 1.00 22.81 C ATOM 1032 C LEU A 81 -3.265 11.543 -22.278 1.00 22.40 C ATOM 1033 O LEU A 81 -3.610 12.521 -21.618 1.00 23.14 O ATOM 1034 CB LEU A 81 -2.858 12.020 -24.674 1.00 24.80 C ATOM 1035 CG LEU A 81 -4.017 12.990 -24.475 1.00 25.31 C ATOM 1036 CD1 LEU A 81 -3.460 14.371 -24.287 1.00 26.64 C ATOM 1037 CD2 LEU A 81 -4.963 12.885 -25.669 1.00 28.97 C ATOM 1038 HA LEU A 81 -1.513 12.494 -23.075 1.00 0.00 H ATOM 1039 HB2 LEU A 81 -2.123 12.474 -25.339 1.00 0.00 H ATOM 1040 HB3 LEU A 81 -3.235 11.102 -25.124 1.00 0.00 H ATOM 1041 HG LEU A 81 -4.596 12.747 -23.584 1.00 0.00 H ATOM 1042 HD21 LEU A 81 -4.423 13.138 -26.582 1.00 0.00 H ATOM 1043 HD22 LEU A 81 -5.344 11.866 -25.741 1.00 0.00 H ATOM 1044 HD23 LEU A 81 -5.795 13.576 -25.534 1.00 0.00 H ATOM 1045 HD11 LEU A 81 -2.811 14.383 -23.411 1.00 0.00 H ATOM 1046 HD12 LEU A 81 -2.887 14.654 -25.170 1.00 0.00 H ATOM 1047 HD13 LEU A 81 -4.279 15.075 -24.143 1.00 0.00 H ATOM 1048 H LEU A 81 -1.350 9.973 -24.369 1.00 0.00 H ATOM 1049 N LEU A 82 -3.793 10.333 -22.112 1.00 22.68 N ATOM 1050 CA LEU A 82 -4.828 10.095 -21.114 1.00 22.32 C ATOM 1051 C LEU A 82 -4.389 10.631 -19.749 1.00 23.21 C ATOM 1052 O LEU A 82 -5.207 11.151 -18.985 1.00 22.70 O ATOM 1053 CB LEU A 82 -5.139 8.595 -21.005 1.00 23.02 C ATOM 1054 CG LEU A 82 -6.165 8.219 -19.934 1.00 22.58 C ATOM 1055 CD1 LEU A 82 -7.489 8.885 -20.258 1.00 24.18 C ATOM 1056 CD2 LEU A 82 -6.322 6.717 -19.864 1.00 22.30 C ATOM 1057 HA LEU A 82 -5.729 10.621 -21.429 1.00 0.00 H ATOM 1058 HB2 LEU A 82 -5.519 8.258 -21.969 1.00 0.00 H ATOM 1059 HB3 LEU A 82 -4.209 8.073 -20.780 1.00 0.00 H ATOM 1060 HG LEU A 82 -5.821 8.566 -18.960 1.00 0.00 H ATOM 1061 HD21 LEU A 82 -6.661 6.343 -20.830 1.00 0.00 H ATOM 1062 HD22 LEU A 82 -5.363 6.264 -19.614 1.00 0.00 H ATOM 1063 HD23 LEU A 82 -7.055 6.465 -19.098 1.00 0.00 H ATOM 1064 HD11 LEU A 82 -7.356 9.967 -20.275 1.00 0.00 H ATOM 1065 HD12 LEU A 82 -7.836 8.545 -21.234 1.00 0.00 H ATOM 1066 HD13 LEU A 82 -8.223 8.620 -19.497 1.00 0.00 H ATOM 1067 H LEU A 82 -3.462 9.545 -22.704 1.00 0.00 H ATOM 1068 N GLY A 83 -3.097 10.492 -19.453 1.00 23.42 N ATOM 1069 CA GLY A 83 -2.554 10.972 -18.192 1.00 25.65 C ATOM 1070 C GLY A 83 -2.663 12.483 -18.080 1.00 27.65 C ATOM 1071 O GLY A 83 -3.007 13.012 -17.021 1.00 26.33 O ATOM 1072 HA3 GLY A 83 -1.504 10.686 -18.126 1.00 0.00 H ATOM 1073 HA2 GLY A 83 -3.106 10.515 -17.371 1.00 0.00 H ATOM 1074 H GLY A 83 -2.464 10.031 -20.138 1.00 0.00 H ATOM 1075 N ASP A 84 -2.376 13.180 -19.179 1.00 28.88 N ATOM 1076 CA ASP A 84 -2.469 14.631 -19.190 1.00 30.85 C ATOM 1077 C ASP A 84 -3.927 15.064 -19.008 1.00 29.93 C ATOM 1078 O ASP A 84 -4.191 16.077 -18.373 1.00 30.39 O ATOM 1079 CB ASP A 84 -1.912 15.207 -20.499 1.00 32.83 C ATOM 1080 CG ASP A 84 -0.511 14.703 -20.812 1.00 36.51 C ATOM 1081 OD1 ASP A 84 0.296 14.546 -19.868 1.00 39.64 O ATOM 1082 OD2 ASP A 84 -0.199 14.478 -22.004 1.00 38.49 O ATOM 1083 HA ASP A 84 -1.872 15.018 -18.364 1.00 0.00 H ATOM 1084 HB2 ASP A 84 -2.576 14.923 -21.316 1.00 0.00 H ATOM 1085 HB3 ASP A 84 -1.882 16.294 -20.418 1.00 0.00 H ATOM 1086 H ASP A 84 -2.081 12.679 -20.041 1.00 0.00 H ATOM 1087 N LEU A 85 -4.862 14.281 -19.554 1.00 29.96 N ATOM 1088 CA LEU A 85 -6.304 14.552 -19.462 1.00 28.38 C ATOM 1089 C LEU A 85 -6.883 14.405 -18.057 1.00 27.67 C ATOM 1090 O LEU A 85 -7.727 15.206 -17.625 1.00 26.46 O ATOM 1091 CB LEU A 85 -7.084 13.602 -20.387 1.00 30.96 C ATOM 1092 CG LEU A 85 -7.409 14.008 -21.822 1.00 30.78 C ATOM 1093 CD1 LEU A 85 -7.769 12.773 -22.613 1.00 34.57 C ATOM 1094 CD2 LEU A 85 -8.555 14.990 -21.839 1.00 33.63 C ATOM 1095 HA LEU A 85 -6.414 15.595 -19.760 1.00 0.00 H ATOM 1096 HB2 LEU A 85 -6.506 12.680 -20.447 1.00 0.00 H ATOM 1097 HB3 LEU A 85 -8.036 13.401 -19.896 1.00 0.00 H ATOM 1098 HG LEU A 85 -6.539 14.488 -22.271 1.00 0.00 H ATOM 1099 HD21 LEU A 85 -9.434 14.528 -21.390 1.00 0.00 H ATOM 1100 HD22 LEU A 85 -8.279 15.878 -21.270 1.00 0.00 H ATOM 1101 HD23 LEU A 85 -8.776 15.271 -22.869 1.00 0.00 H ATOM 1102 HD11 LEU A 85 -6.926 12.081 -22.608 1.00 0.00 H ATOM 1103 HD12 LEU A 85 -8.637 12.294 -22.161 1.00 0.00 H ATOM 1104 HD13 LEU A 85 -8.002 13.056 -23.639 1.00 0.00 H ATOM 1105 H LEU A 85 -4.553 13.434 -20.072 1.00 0.00 H ATOM 1106 N PHE A 86 -6.451 13.351 -17.372 1.00 26.72 N ATOM 1107 CA PHE A 86 -6.894 13.031 -16.018 1.00 26.57 C ATOM 1108 C PHE A 86 -5.999 13.596 -14.920 1.00 27.33 C ATOM 1109 O PHE A 86 -6.363 13.560 -13.750 1.00 27.04 O ATOM 1110 CB PHE A 86 -6.990 11.515 -15.840 1.00 25.39 C ATOM 1111 CG PHE A 86 -8.232 10.906 -16.437 1.00 24.85 C ATOM 1112 CD1 PHE A 86 -9.006 11.612 -17.346 1.00 25.39 C ATOM 1113 CD2 PHE A 86 -8.613 9.617 -16.104 1.00 24.49 C ATOM 1114 CE1 PHE A 86 -10.142 11.044 -17.911 1.00 25.28 C ATOM 1115 CE2 PHE A 86 -9.750 9.033 -16.664 1.00 24.25 C ATOM 1116 CZ PHE A 86 -10.512 9.751 -17.571 1.00 24.62 C ATOM 1117 HA PHE A 86 -7.870 13.505 -15.911 1.00 0.00 H ATOM 1118 HB2 PHE A 86 -6.122 11.058 -16.315 1.00 0.00 H ATOM 1119 HB3 PHE A 86 -6.978 11.293 -14.773 1.00 0.00 H ATOM 1120 HD2 PHE A 86 -8.014 9.049 -15.392 1.00 0.00 H ATOM 1121 HE2 PHE A 86 -10.037 8.018 -16.389 1.00 0.00 H ATOM 1122 HZ PHE A 86 -11.400 9.301 -18.016 1.00 0.00 H ATOM 1123 HE1 PHE A 86 -10.742 11.614 -18.621 1.00 0.00 H ATOM 1124 HD1 PHE A 86 -8.719 12.627 -17.621 1.00 0.00 H ATOM 1125 H PHE A 86 -5.760 12.720 -17.825 1.00 0.00 H ATOM 1126 N GLY A 87 -4.827 14.098 -15.292 1.00 28.61 N ATOM 1127 CA GLY A 87 -3.927 14.674 -14.300 1.00 30.22 C ATOM 1128 C GLY A 87 -3.400 13.694 -13.270 1.00 30.65 C ATOM 1129 O GLY A 87 -3.061 14.088 -12.152 1.00 32.66 O ATOM 1130 HA3 GLY A 87 -4.464 15.463 -13.773 1.00 0.00 H ATOM 1131 HA2 GLY A 87 -3.074 15.104 -14.825 1.00 0.00 H ATOM 1132 H GLY A 87 -4.550 14.080 -16.294 1.00 0.00 H ATOM 1133 N VAL A 88 -3.329 12.415 -13.630 1.00 30.42 N ATOM 1134 CA VAL A 88 -2.812 11.407 -12.716 1.00 29.15 C ATOM 1135 C VAL A 88 -1.972 10.415 -13.499 1.00 29.03 C ATOM 1136 O VAL A 88 -2.149 10.247 -14.719 1.00 29.83 O ATOM 1137 CB VAL A 88 -3.952 10.641 -11.980 1.00 29.95 C ATOM 1138 CG1 VAL A 88 -4.820 11.620 -11.195 1.00 28.07 C ATOM 1139 CG2 VAL A 88 -4.787 9.856 -12.973 1.00 29.44 C ATOM 1140 HA VAL A 88 -2.213 11.916 -11.961 1.00 0.00 H ATOM 1141 HB VAL A 88 -3.507 9.936 -11.278 1.00 0.00 H ATOM 1142 HG11 VAL A 88 -4.205 12.140 -10.460 1.00 0.00 H ATOM 1143 HG12 VAL A 88 -5.260 12.344 -11.881 1.00 0.00 H ATOM 1144 HG13 VAL A 88 -5.613 11.073 -10.685 1.00 0.00 H ATOM 1145 HG21 VAL A 88 -5.228 10.541 -13.697 1.00 0.00 H ATOM 1146 HG22 VAL A 88 -4.152 9.137 -13.491 1.00 0.00 H ATOM 1147 HG23 VAL A 88 -5.579 9.327 -12.442 1.00 0.00 H ATOM 1148 H VAL A 88 -3.648 12.131 -14.578 1.00 0.00 H ATOM 1149 N PRO A 89 -1.021 9.763 -12.820 1.00 27.17 N ATOM 1150 CA PRO A 89 -0.155 8.783 -13.467 1.00 25.09 C ATOM 1151 C PRO A 89 -0.834 7.432 -13.573 1.00 22.72 C ATOM 1152 O PRO A 89 -0.452 6.613 -14.395 1.00 23.63 O ATOM 1153 CB PRO A 89 1.061 8.746 -12.544 1.00 25.12 C ATOM 1154 CG PRO A 89 0.446 8.936 -11.213 1.00 25.38 C ATOM 1155 CD PRO A 89 -0.540 10.053 -11.455 1.00 26.95 C ATOM 1156 HA PRO A 89 0.103 9.039 -14.495 1.00 0.00 H ATOM 1157 HD3 PRO A 89 -1.357 10.021 -10.734 1.00 0.00 H ATOM 1158 HD2 PRO A 89 -0.052 11.027 -11.407 1.00 0.00 H ATOM 1159 HG3 PRO A 89 1.193 9.225 -10.473 1.00 0.00 H ATOM 1160 HG2 PRO A 89 -0.061 8.030 -10.882 1.00 0.00 H ATOM 1161 HB2 PRO A 89 1.578 7.788 -12.608 1.00 0.00 H ATOM 1162 HB3 PRO A 89 1.759 9.550 -12.776 1.00 0.00 H ATOM 1163 N SER A 90 -1.831 7.200 -12.723 1.00 21.36 N ATOM 1164 CA SER A 90 -2.562 5.938 -12.722 1.00 19.05 C ATOM 1165 C SER A 90 -3.858 6.058 -11.938 1.00 19.52 C ATOM 1166 O SER A 90 -4.054 7.006 -11.193 1.00 17.04 O ATOM 1167 CB SER A 90 -1.710 4.834 -12.095 1.00 21.70 C ATOM 1168 OG SER A 90 -1.522 5.067 -10.701 1.00 19.46 O ATOM 1169 HA SER A 90 -2.792 5.689 -13.758 1.00 0.00 H ATOM 1170 HB2 SER A 90 -0.738 4.810 -12.587 1.00 0.00 H ATOM 1171 HB3 SER A 90 -2.210 3.875 -12.233 1.00 0.00 H ATOM 1172 HG SER A 90 -0.969 4.341 -10.318 1.00 0.00 H ATOM 1173 H SER A 90 -2.096 7.939 -12.041 1.00 0.00 H ATOM 1174 N PHE A 91 -4.746 5.091 -12.120 1.00 19.30 N ATOM 1175 CA PHE A 91 -6.013 5.092 -11.405 1.00 22.37 C ATOM 1176 C PHE A 91 -6.647 3.723 -11.537 1.00 22.64 C ATOM 1177 O PHE A 91 -6.337 2.978 -12.470 1.00 24.05 O ATOM 1178 CB PHE A 91 -6.949 6.194 -11.940 1.00 22.07 C ATOM 1179 CG PHE A 91 -7.381 6.007 -13.377 1.00 23.08 C ATOM 1180 CD1 PHE A 91 -8.545 5.303 -13.687 1.00 21.05 C ATOM 1181 CD2 PHE A 91 -6.625 6.551 -14.421 1.00 23.13 C ATOM 1182 CE1 PHE A 91 -8.957 5.148 -15.017 1.00 22.84 C ATOM 1183 CE2 PHE A 91 -7.029 6.400 -15.759 1.00 21.57 C ATOM 1184 CZ PHE A 91 -8.195 5.696 -16.057 1.00 21.20 C ATOM 1185 HA PHE A 91 -5.837 5.308 -10.351 1.00 0.00 H ATOM 1186 HB2 PHE A 91 -7.842 6.215 -11.316 1.00 0.00 H ATOM 1187 HB3 PHE A 91 -6.430 7.149 -11.862 1.00 0.00 H ATOM 1188 HD2 PHE A 91 -5.711 7.099 -14.194 1.00 0.00 H ATOM 1189 HE2 PHE A 91 -6.432 6.832 -16.562 1.00 0.00 H ATOM 1190 HZ PHE A 91 -8.512 5.573 -17.093 1.00 0.00 H ATOM 1191 HE1 PHE A 91 -9.872 4.600 -15.243 1.00 0.00 H ATOM 1192 HD1 PHE A 91 -9.141 4.868 -12.885 1.00 0.00 H ATOM 1193 H PHE A 91 -4.534 4.319 -12.784 1.00 0.00 H ATOM 1194 N SER A 92 -7.508 3.389 -10.580 1.00 21.39 N ATOM 1195 CA SER A 92 -8.188 2.100 -10.571 1.00 21.57 C ATOM 1196 C SER A 92 -9.458 2.138 -11.384 1.00 19.51 C ATOM 1197 O SER A 92 -10.208 3.102 -11.326 1.00 19.58 O ATOM 1198 CB SER A 92 -8.556 1.690 -9.151 1.00 23.24 C ATOM 1199 OG SER A 92 -9.462 0.606 -9.194 1.00 28.28 O ATOM 1200 HA SER A 92 -7.495 1.380 -11.006 1.00 0.00 H ATOM 1201 HB2 SER A 92 -9.020 2.532 -8.638 1.00 0.00 H ATOM 1202 HB3 SER A 92 -7.656 1.391 -8.614 1.00 0.00 H ATOM 1203 HG SER A 92 -9.701 0.340 -8.271 1.00 0.00 H ATOM 1204 H SER A 92 -7.702 4.067 -9.816 1.00 0.00 H ATOM 1205 N VAL A 93 -9.711 1.067 -12.119 1.00 20.47 N ATOM 1206 CA VAL A 93 -10.908 0.995 -12.931 1.00 20.54 C ATOM 1207 C VAL A 93 -12.147 0.784 -12.053 1.00 21.97 C ATOM 1208 O VAL A 93 -13.274 0.884 -12.536 1.00 21.92 O ATOM 1209 CB VAL A 93 -10.795 -0.132 -13.979 1.00 21.16 C ATOM 1210 CG1 VAL A 93 -9.602 0.110 -14.876 1.00 20.59 C ATOM 1211 CG2 VAL A 93 -10.661 -1.468 -13.270 1.00 21.42 C ATOM 1212 HA VAL A 93 -11.014 1.943 -13.458 1.00 0.00 H ATOM 1213 HB VAL A 93 -11.693 -0.144 -14.597 1.00 0.00 H ATOM 1214 HG11 VAL A 93 -9.722 1.065 -15.388 1.00 0.00 H ATOM 1215 HG12 VAL A 93 -8.694 0.131 -14.273 1.00 0.00 H ATOM 1216 HG13 VAL A 93 -9.533 -0.692 -15.611 1.00 0.00 H ATOM 1217 HG21 VAL A 93 -9.767 -1.459 -12.646 1.00 0.00 H ATOM 1218 HG22 VAL A 93 -11.539 -1.637 -12.646 1.00 0.00 H ATOM 1219 HG23 VAL A 93 -10.581 -2.264 -14.010 1.00 0.00 H ATOM 1220 H VAL A 93 -9.044 0.269 -12.113 1.00 0.00 H ATOM 1221 N LYS A 94 -11.925 0.528 -10.765 1.00 23.08 N ATOM 1222 CA LYS A 94 -12.994 0.313 -9.792 1.00 24.70 C ATOM 1223 C LYS A 94 -13.447 1.563 -9.016 1.00 25.36 C ATOM 1224 O LYS A 94 -14.442 1.512 -8.282 1.00 26.19 O ATOM 1225 CB LYS A 94 -12.568 -0.737 -8.758 1.00 26.35 C ATOM 1226 CG LYS A 94 -12.556 -2.194 -9.205 1.00 27.78 C ATOM 1227 CD LYS A 94 -13.963 -2.740 -9.348 1.00 27.53 C ATOM 1228 CE LYS A 94 -13.993 -4.242 -9.617 1.00 28.95 C ATOM 1229 NZ LYS A 94 -15.414 -4.744 -9.584 1.00 31.39 N ATOM 1230 HA LYS A 94 -13.840 -0.012 -10.398 1.00 0.00 H ATOM 1231 HB2 LYS A 94 -11.558 -0.486 -8.433 1.00 0.00 H ATOM 1232 HB3 LYS A 94 -13.251 -0.659 -7.912 1.00 0.00 H ATOM 1233 HG2 LYS A 94 -12.048 -2.266 -10.167 1.00 0.00 H ATOM 1234 HG3 LYS A 94 -12.018 -2.788 -8.466 1.00 0.00 H ATOM 1235 HD2 LYS A 94 -14.509 -2.541 -8.426 1.00 0.00 H ATOM 1236 HD3 LYS A 94 -14.452 -2.228 -10.177 1.00 0.00 H ATOM 1237 HE2 LYS A 94 -13.410 -4.757 -8.854 1.00 0.00 H ATOM 1238 HE3 LYS A 94 -13.562 -4.442 -10.598 1.00 0.00 H ATOM 1239 HZ1 LYS A 94 -15.825 -4.555 -8.648 1.00 0.00 H ATOM 1240 HZ2 LYS A 94 -15.970 -4.254 -10.313 1.00 0.00 H ATOM 1241 HZ3 LYS A 94 -15.423 -5.768 -9.768 1.00 0.00 H ATOM 1242 H LYS A 94 -10.940 0.479 -10.435 1.00 0.00 H ATOM 1243 N GLU A 95 -12.712 2.666 -9.115 1.00 25.98 N ATOM 1244 CA GLU A 95 -13.139 3.875 -8.417 1.00 27.57 C ATOM 1245 C GLU A 95 -13.928 4.748 -9.402 1.00 25.85 C ATOM 1246 O GLU A 95 -13.451 5.801 -9.850 1.00 26.53 O ATOM 1247 CB GLU A 95 -11.935 4.658 -7.869 1.00 29.80 C ATOM 1248 CG GLU A 95 -11.356 4.087 -6.572 1.00 35.53 C ATOM 1249 CD GLU A 95 -9.921 4.504 -6.382 1.00 38.28 C ATOM 1250 OE1 GLU A 95 -9.534 5.528 -6.969 1.00 41.02 O ATOM 1251 OE2 GLU A 95 -9.180 3.833 -5.616 1.00 40.38 O ATOM 1252 HA GLU A 95 -13.763 3.597 -7.568 1.00 0.00 H ATOM 1253 HB2 GLU A 95 -11.150 4.654 -8.626 1.00 0.00 H ATOM 1254 HB3 GLU A 95 -12.251 5.684 -7.681 1.00 0.00 H ATOM 1255 HG2 GLU A 95 -11.946 4.449 -5.730 1.00 0.00 H ATOM 1256 HG3 GLU A 95 -11.408 2.999 -6.609 1.00 0.00 H ATOM 1257 H GLU A 95 -11.841 2.668 -9.684 1.00 0.00 H ATOM 1258 N HIS A 96 -15.128 4.289 -9.755 1.00 24.69 N ATOM 1259 CA HIS A 96 -16.001 4.970 -10.704 1.00 24.31 C ATOM 1260 C HIS A 96 -16.393 6.408 -10.355 1.00 22.85 C ATOM 1261 O HIS A 96 -16.548 7.244 -11.253 1.00 20.57 O ATOM 1262 CB HIS A 96 -17.272 4.144 -10.956 1.00 24.87 C ATOM 1263 CG HIS A 96 -17.008 2.787 -11.548 1.00 26.54 C ATOM 1264 ND1 HIS A 96 -18.039 1.961 -11.956 1.00 25.37 N ATOM 1265 CD2 HIS A 96 -15.866 2.117 -11.790 1.00 27.31 C ATOM 1266 CE1 HIS A 96 -17.529 0.840 -12.426 1.00 26.50 C ATOM 1267 NE2 HIS A 96 -16.215 0.899 -12.341 1.00 26.04 N ATOM 1268 HA HIS A 96 -15.391 5.052 -11.604 1.00 0.00 H ATOM 1269 HB2 HIS A 96 -17.789 4.010 -10.006 1.00 0.00 H ATOM 1270 HB3 HIS A 96 -17.913 4.699 -11.641 1.00 0.00 H ATOM 1271 HD2 HIS A 96 -14.854 2.470 -11.589 1.00 0.00 H ATOM 1272 HE1 HIS A 96 -18.101 0.000 -12.821 1.00 0.00 H ATOM 1273 H HIS A 96 -15.459 3.399 -9.332 1.00 0.00 H ATOM 1274 N ARG A 97 -16.594 6.742 -9.089 1.00 22.49 N ATOM 1275 CA ARG A 97 -16.918 8.143 -8.867 1.00 22.06 C ATOM 1276 C ARG A 97 -15.707 9.037 -9.174 1.00 21.60 C ATOM 1277 O ARG A 97 -15.868 10.104 -9.756 1.00 19.24 O ATOM 1278 CB ARG A 97 -17.447 8.379 -7.429 1.00 25.60 C ATOM 1279 CG ARG A 97 -18.988 8.217 -7.365 1.00 29.34 C ATOM 1280 CD ARG A 97 -19.725 8.761 -6.069 1.00 33.88 C ATOM 1281 NE ARG A 97 -20.391 7.682 -5.322 1.00 38.00 N ATOM 1282 CZ ARG A 97 -19.803 6.741 -4.567 1.00 40.65 C ATOM 1283 NH1 ARG A 97 -18.481 6.648 -4.420 1.00 43.33 N ATOM 1284 NH2 ARG A 97 -20.572 5.874 -3.914 1.00 43.28 N ATOM 1285 HA ARG A 97 -17.718 8.416 -9.554 1.00 0.00 H ATOM 1286 HB2 ARG A 97 -16.985 7.656 -6.757 1.00 0.00 H ATOM 1287 HB3 ARG A 97 -17.182 9.388 -7.113 1.00 0.00 H ATOM 1288 HG2 ARG A 97 -19.408 8.740 -8.224 1.00 0.00 H ATOM 1289 HG3 ARG A 97 -19.209 7.153 -7.445 1.00 0.00 H ATOM 1290 HD2 ARG A 97 -20.473 9.495 -6.370 1.00 0.00 H ATOM 1291 HD3 ARG A 97 -18.991 9.238 -5.420 1.00 0.00 H ATOM 1292 HE ARG A 97 -21.428 7.645 -5.386 1.00 0.00 H ATOM 1293 HH12 ARG A 97 -18.076 5.899 -3.823 1.00 0.00 H ATOM 1294 HH11 ARG A 97 -17.855 7.324 -4.903 1.00 0.00 H ATOM 1295 HH22 ARG A 97 -20.138 5.136 -3.323 1.00 0.00 H ATOM 1296 HH21 ARG A 97 -21.607 5.934 -3.994 1.00 0.00 H ATOM 1297 H ARG A 97 -16.525 6.054 -8.312 1.00 0.00 H ATOM 1298 N LYS A 98 -14.500 8.595 -8.831 1.00 20.66 N ATOM 1299 CA LYS A 98 -13.336 9.413 -9.143 1.00 21.56 C ATOM 1300 C LYS A 98 -13.191 9.566 -10.658 1.00 19.47 C ATOM 1301 O LYS A 98 -12.874 10.642 -11.159 1.00 17.92 O ATOM 1302 CB LYS A 98 -12.051 8.799 -8.565 1.00 24.61 C ATOM 1303 CG LYS A 98 -12.028 8.704 -7.046 1.00 29.61 C ATOM 1304 CD LYS A 98 -10.710 8.167 -6.510 1.00 32.02 C ATOM 1305 CE LYS A 98 -10.800 8.003 -4.996 1.00 33.47 C ATOM 1306 NZ LYS A 98 -9.517 7.539 -4.394 1.00 36.01 N ATOM 1307 HA LYS A 98 -13.486 10.392 -8.688 1.00 0.00 H ATOM 1308 HB2 LYS A 98 -11.940 7.794 -8.972 1.00 0.00 H ATOM 1309 HB3 LYS A 98 -11.207 9.412 -8.881 1.00 0.00 H ATOM 1310 HG2 LYS A 98 -12.194 9.699 -6.632 1.00 0.00 H ATOM 1311 HG3 LYS A 98 -12.831 8.040 -6.726 1.00 0.00 H ATOM 1312 HD2 LYS A 98 -10.499 7.200 -6.968 1.00 0.00 H ATOM 1313 HD3 LYS A 98 -9.909 8.865 -6.752 1.00 0.00 H ATOM 1314 HE2 LYS A 98 -11.577 7.273 -4.769 1.00 0.00 H ATOM 1315 HE3 LYS A 98 -11.066 8.964 -4.555 1.00 0.00 H ATOM 1316 HZ1 LYS A 98 -9.257 6.618 -4.801 1.00 0.00 H ATOM 1317 HZ2 LYS A 98 -8.769 8.233 -4.597 1.00 0.00 H ATOM 1318 HZ3 LYS A 98 -9.633 7.444 -3.365 1.00 0.00 H ATOM 1319 H LYS A 98 -14.389 7.681 -8.348 1.00 0.00 H ATOM 1320 N ILE A 99 -13.432 8.475 -11.378 1.00 18.57 N ATOM 1321 CA ILE A 99 -13.326 8.472 -12.827 1.00 16.86 C ATOM 1322 C ILE A 99 -14.261 9.497 -13.452 1.00 17.41 C ATOM 1323 O ILE A 99 -13.866 10.249 -14.338 1.00 16.42 O ATOM 1324 CB ILE A 99 -13.617 7.057 -13.399 1.00 16.39 C ATOM 1325 CG1 ILE A 99 -12.476 6.115 -13.019 1.00 14.40 C ATOM 1326 CG2 ILE A 99 -13.791 7.111 -14.915 1.00 15.30 C ATOM 1327 CD1 ILE A 99 -12.763 4.656 -13.286 1.00 14.25 C ATOM 1328 HA ILE A 99 -12.303 8.747 -13.083 1.00 0.00 H ATOM 1329 HB ILE A 99 -14.548 6.683 -12.972 1.00 0.00 H ATOM 1330 HG12 ILE A 99 -11.592 6.400 -13.590 1.00 0.00 H ATOM 1331 HG13 ILE A 99 -12.273 6.235 -11.955 1.00 0.00 H ATOM 1332 HD11 ILE A 99 -13.637 4.348 -12.713 1.00 0.00 H ATOM 1333 HD12 ILE A 99 -12.956 4.514 -14.349 1.00 0.00 H ATOM 1334 HD13 ILE A 99 -11.902 4.057 -12.988 1.00 0.00 H ATOM 1335 HG21 ILE A 99 -14.625 7.769 -15.161 1.00 0.00 H ATOM 1336 HG22 ILE A 99 -12.878 7.494 -15.371 1.00 0.00 H ATOM 1337 HG23 ILE A 99 -13.994 6.109 -15.292 1.00 0.00 H ATOM 1338 H ILE A 99 -13.704 7.598 -10.890 1.00 0.00 H ATOM 1339 N TYR A 100 -15.495 9.545 -12.969 1.00 17.24 N ATOM 1340 CA TYR A 100 -16.464 10.497 -13.499 1.00 19.06 C ATOM 1341 C TYR A 100 -16.054 11.939 -13.261 1.00 19.35 C ATOM 1342 O TYR A 100 -16.297 12.800 -14.098 1.00 19.10 O ATOM 1343 CB TYR A 100 -17.841 10.255 -12.895 1.00 19.41 C ATOM 1344 CG TYR A 100 -18.689 9.344 -13.746 1.00 22.34 C ATOM 1345 CD1 TYR A 100 -18.774 7.981 -13.489 1.00 23.76 C ATOM 1346 CD2 TYR A 100 -19.371 9.849 -14.847 1.00 24.09 C ATOM 1347 CE1 TYR A 100 -19.525 7.147 -14.309 1.00 24.35 C ATOM 1348 CE2 TYR A 100 -20.120 9.026 -15.663 1.00 26.13 C ATOM 1349 CZ TYR A 100 -20.191 7.681 -15.386 1.00 23.99 C ATOM 1350 OH TYR A 100 -20.983 6.890 -16.170 1.00 28.57 O ATOM 1351 HA TYR A 100 -16.500 10.335 -14.576 1.00 0.00 H ATOM 1352 HB3 TYR A 100 -18.351 11.213 -12.791 1.00 0.00 H ATOM 1353 HB2 TYR A 100 -17.718 9.802 -11.912 1.00 0.00 H ATOM 1354 HD2 TYR A 100 -19.313 10.914 -15.070 1.00 0.00 H ATOM 1355 HE2 TYR A 100 -20.651 9.439 -16.521 1.00 0.00 H ATOM 1356 HE1 TYR A 100 -19.585 6.079 -14.100 1.00 0.00 H ATOM 1357 HD1 TYR A 100 -18.245 7.561 -12.634 1.00 0.00 H ATOM 1358 HH TYR A 100 -20.932 5.954 -15.851 1.00 0.00 H ATOM 1359 H TYR A 100 -15.774 8.897 -12.205 1.00 0.00 H ATOM 1360 N THR A 101 -15.431 12.195 -12.121 1.00 18.81 N ATOM 1361 CA THR A 101 -15.008 13.538 -11.796 1.00 20.94 C ATOM 1362 C THR A 101 -13.886 13.935 -12.722 1.00 19.35 C ATOM 1363 O THR A 101 -13.859 15.051 -13.226 1.00 20.66 O ATOM 1364 CB THR A 101 -14.535 13.641 -10.341 1.00 21.60 C ATOM 1365 OG1 THR A 101 -15.648 13.409 -9.474 1.00 23.03 O ATOM 1366 CG2 THR A 101 -13.950 15.016 -10.073 1.00 21.39 C ATOM 1367 HA THR A 101 -15.859 14.208 -11.919 1.00 0.00 H ATOM 1368 HB THR A 101 -13.761 12.895 -10.158 1.00 0.00 H ATOM 1369 HG1 THR A 101 -16.014 12.505 -9.644 1.00 0.00 H ATOM 1370 HG23 THR A 101 -13.103 15.185 -10.738 1.00 0.00 H ATOM 1371 HG21 THR A 101 -14.711 15.775 -10.253 1.00 0.00 H ATOM 1372 HG22 THR A 101 -13.617 15.072 -9.037 1.00 0.00 H ATOM 1373 H THR A 101 -15.244 11.421 -11.452 1.00 0.00 H ATOM 1374 N MET A 102 -12.960 13.014 -12.958 1.00 20.33 N ATOM 1375 CA MET A 102 -11.860 13.317 -13.861 1.00 19.74 C ATOM 1376 C MET A 102 -12.388 13.551 -15.271 1.00 19.32 C ATOM 1377 O MET A 102 -11.914 14.432 -15.993 1.00 20.95 O ATOM 1378 CB MET A 102 -10.847 12.186 -13.855 1.00 19.93 C ATOM 1379 CG MET A 102 -10.071 12.092 -12.569 1.00 22.53 C ATOM 1380 SD MET A 102 -8.732 10.908 -12.743 1.00 26.79 S ATOM 1381 CE MET A 102 -9.583 9.465 -12.647 1.00 23.61 C ATOM 1382 HA MET A 102 -11.365 14.226 -13.519 1.00 0.00 H ATOM 1383 HB2 MET A 102 -11.376 11.246 -14.010 1.00 0.00 H ATOM 1384 HB3 MET A 102 -10.144 12.345 -14.673 1.00 0.00 H ATOM 1385 HG2 MET A 102 -10.737 11.769 -11.768 1.00 0.00 H ATOM 1386 HG3 MET A 102 -9.658 13.071 -12.324 1.00 0.00 H ATOM 1387 HE1 MET A 102 -10.095 9.410 -11.687 1.00 0.00 H ATOM 1388 HE2 MET A 102 -10.315 9.422 -13.454 1.00 0.00 H ATOM 1389 HE3 MET A 102 -8.890 8.629 -12.739 1.00 0.00 H ATOM 1390 H MET A 102 -13.020 12.082 -12.501 1.00 0.00 H ATOM 1391 N ILE A 103 -13.387 12.777 -15.666 1.00 17.42 N ATOM 1392 CA ILE A 103 -13.954 12.942 -16.990 1.00 17.25 C ATOM 1393 C ILE A 103 -14.686 14.270 -17.145 1.00 18.37 C ATOM 1394 O ILE A 103 -14.618 14.900 -18.196 1.00 19.17 O ATOM 1395 CB ILE A 103 -14.921 11.790 -17.326 1.00 16.06 C ATOM 1396 CG1 ILE A 103 -14.118 10.501 -17.509 1.00 16.04 C ATOM 1397 CG2 ILE A 103 -15.719 12.119 -18.589 1.00 16.39 C ATOM 1398 CD1 ILE A 103 -14.949 9.270 -17.666 1.00 17.88 C ATOM 1399 HA ILE A 103 -13.115 12.930 -17.685 1.00 0.00 H ATOM 1400 HB ILE A 103 -15.630 11.655 -16.509 1.00 0.00 H ATOM 1401 HG12 ILE A 103 -13.498 10.609 -18.399 1.00 0.00 H ATOM 1402 HG13 ILE A 103 -13.478 10.371 -16.636 1.00 0.00 H ATOM 1403 HD11 ILE A 103 -15.568 9.135 -16.779 1.00 0.00 H ATOM 1404 HD12 ILE A 103 -15.587 9.374 -18.543 1.00 0.00 H ATOM 1405 HD13 ILE A 103 -14.296 8.406 -17.790 1.00 0.00 H ATOM 1406 HG21 ILE A 103 -16.293 13.031 -18.427 1.00 0.00 H ATOM 1407 HG22 ILE A 103 -15.033 12.264 -19.423 1.00 0.00 H ATOM 1408 HG23 ILE A 103 -16.397 11.296 -18.813 1.00 0.00 H ATOM 1409 H ILE A 103 -13.765 12.050 -15.026 1.00 0.00 H ATOM 1410 N TYR A 104 -15.377 14.700 -16.095 1.00 18.88 N ATOM 1411 CA TYR A 104 -16.116 15.950 -16.162 1.00 20.11 C ATOM 1412 C TYR A 104 -15.223 17.168 -16.323 1.00 18.84 C ATOM 1413 O TYR A 104 -15.610 18.139 -16.961 1.00 18.85 O ATOM 1414 CB TYR A 104 -17.021 16.086 -14.940 1.00 21.21 C ATOM 1415 CG TYR A 104 -18.368 15.451 -15.174 1.00 25.11 C ATOM 1416 CD1 TYR A 104 -18.468 14.133 -15.608 1.00 26.31 C ATOM 1417 CD2 TYR A 104 -19.542 16.182 -15.016 1.00 27.54 C ATOM 1418 CE1 TYR A 104 -19.698 13.554 -15.874 1.00 29.31 C ATOM 1419 CE2 TYR A 104 -20.783 15.610 -15.281 1.00 29.96 C ATOM 1420 CZ TYR A 104 -20.850 14.297 -15.710 1.00 30.67 C ATOM 1421 OH TYR A 104 -22.081 13.722 -15.941 1.00 34.00 O ATOM 1422 HA TYR A 104 -16.729 15.912 -17.063 1.00 0.00 H ATOM 1423 HB3 TYR A 104 -17.162 17.144 -14.720 1.00 0.00 H ATOM 1424 HB2 TYR A 104 -16.543 15.600 -14.090 1.00 0.00 H ATOM 1425 HD2 TYR A 104 -19.489 17.217 -14.680 1.00 0.00 H ATOM 1426 HE2 TYR A 104 -21.695 16.193 -15.151 1.00 0.00 H ATOM 1427 HE1 TYR A 104 -19.756 12.519 -16.210 1.00 0.00 H ATOM 1428 HD1 TYR A 104 -17.560 13.544 -15.741 1.00 0.00 H ATOM 1429 HH TYR A 104 -21.956 12.787 -16.240 1.00 0.00 H ATOM 1430 H TYR A 104 -15.389 14.139 -15.220 1.00 0.00 H ATOM 1431 N ARG A 105 -14.021 17.106 -15.767 1.00 17.23 N ATOM 1432 CA ARG A 105 -13.080 18.205 -15.888 1.00 19.03 C ATOM 1433 C ARG A 105 -12.815 18.456 -17.378 1.00 20.24 C ATOM 1434 O ARG A 105 -12.437 19.559 -17.771 1.00 18.92 O ATOM 1435 CB ARG A 105 -11.751 17.863 -15.193 1.00 22.53 C ATOM 1436 CG ARG A 105 -11.843 17.545 -13.707 1.00 24.29 C ATOM 1437 CD ARG A 105 -12.332 18.724 -12.859 1.00 28.91 C ATOM 1438 NE ARG A 105 -12.473 18.332 -11.455 1.00 28.90 N ATOM 1439 CZ ARG A 105 -13.256 18.932 -10.568 1.00 29.82 C ATOM 1440 NH1 ARG A 105 -14.003 19.977 -10.914 1.00 32.74 N ATOM 1441 NH2 ARG A 105 -13.278 18.487 -9.321 1.00 31.89 N ATOM 1442 HA ARG A 105 -13.502 19.091 -15.414 1.00 0.00 H ATOM 1443 HB2 ARG A 105 -11.324 16.995 -15.695 1.00 0.00 H ATOM 1444 HB3 ARG A 105 -11.082 18.715 -15.312 1.00 0.00 H ATOM 1445 HG2 ARG A 105 -12.535 16.713 -13.574 1.00 0.00 H ATOM 1446 HG3 ARG A 105 -10.854 17.253 -13.354 1.00 0.00 H ATOM 1447 HD2 ARG A 105 -13.299 19.059 -13.236 1.00 0.00 H ATOM 1448 HD3 ARG A 105 -11.613 19.540 -12.932 1.00 0.00 H ATOM 1449 HE ARG A 105 -11.915 17.518 -11.127 1.00 0.00 H ATOM 1450 HH12 ARG A 105 -14.612 20.437 -10.208 1.00 0.00 H ATOM 1451 HH11 ARG A 105 -13.978 20.334 -11.891 1.00 0.00 H ATOM 1452 HH22 ARG A 105 -13.887 18.948 -8.615 1.00 0.00 H ATOM 1453 HH21 ARG A 105 -12.686 17.677 -9.048 1.00 0.00 H ATOM 1454 H ARG A 105 -13.747 16.255 -15.235 1.00 0.00 H ATOM 1455 N ASN A 106 -13.056 17.443 -18.212 1.00 19.66 N ATOM 1456 CA ASN A 106 -12.795 17.566 -19.640 1.00 18.66 C ATOM 1457 C ASN A 106 -13.983 17.706 -20.586 1.00 19.56 C ATOM 1458 O ASN A 106 -13.835 17.535 -21.799 1.00 19.12 O ATOM 1459 CB ASN A 106 -11.938 16.400 -20.100 1.00 18.38 C ATOM 1460 CG ASN A 106 -10.617 16.339 -19.368 1.00 19.89 C ATOM 1461 OD1 ASN A 106 -10.505 15.710 -18.315 1.00 21.49 O ATOM 1462 ND2 ASN A 106 -9.615 17.013 -19.912 1.00 15.25 N ATOM 1463 HA ASN A 106 -12.295 18.532 -19.712 1.00 0.00 H ATOM 1464 HB2 ASN A 106 -12.482 15.472 -19.922 1.00 0.00 H ATOM 1465 HB3 ASN A 106 -11.744 16.506 -21.167 1.00 0.00 H ATOM 1466 HD22 ASN A 106 -9.759 17.529 -20.803 1.00 0.00 H ATOM 1467 HD21 ASN A 106 -8.684 17.026 -19.448 1.00 0.00 H ATOM 1468 H ASN A 106 -13.436 16.551 -17.837 1.00 0.00 H ATOM 1469 N LEU A 107 -15.150 18.025 -20.050 1.00 17.54 N ATOM 1470 CA LEU A 107 -16.322 18.176 -20.893 1.00 17.37 C ATOM 1471 C LEU A 107 -17.238 19.267 -20.351 1.00 18.45 C ATOM 1472 O LEU A 107 -17.031 19.795 -19.258 1.00 17.15 O ATOM 1473 CB LEU A 107 -17.074 16.841 -20.991 1.00 16.60 C ATOM 1474 CG LEU A 107 -17.542 16.171 -19.702 1.00 13.81 C ATOM 1475 CD1 LEU A 107 -18.812 16.841 -19.235 1.00 16.78 C ATOM 1476 CD2 LEU A 107 -17.801 14.665 -19.929 1.00 17.47 C ATOM 1477 HA LEU A 107 -15.998 18.471 -21.891 1.00 0.00 H ATOM 1478 HB2 LEU A 107 -17.959 17.014 -21.603 1.00 0.00 H ATOM 1479 HB3 LEU A 107 -16.415 16.137 -21.499 1.00 0.00 H ATOM 1480 HG LEU A 107 -16.764 16.273 -18.946 1.00 0.00 H ATOM 1481 HD21 LEU A 107 -18.571 14.541 -20.690 1.00 0.00 H ATOM 1482 HD22 LEU A 107 -16.880 14.185 -20.261 1.00 0.00 H ATOM 1483 HD23 LEU A 107 -18.133 14.210 -18.996 1.00 0.00 H ATOM 1484 HD11 LEU A 107 -18.618 17.898 -19.052 1.00 0.00 H ATOM 1485 HD12 LEU A 107 -19.579 16.739 -20.003 1.00 0.00 H ATOM 1486 HD13 LEU A 107 -19.153 16.368 -18.314 1.00 0.00 H ATOM 1487 H LEU A 107 -15.228 18.168 -19.023 1.00 0.00 H ATOM 1488 N VAL A 108 -18.245 19.599 -21.142 1.00 18.34 N ATOM 1489 CA VAL A 108 -19.223 20.612 -20.788 1.00 18.58 C ATOM 1490 C VAL A 108 -20.581 19.965 -20.955 1.00 17.81 C ATOM 1491 O VAL A 108 -20.881 19.408 -22.005 1.00 18.07 O ATOM 1492 CB VAL A 108 -19.141 21.828 -21.739 1.00 18.87 C ATOM 1493 CG1 VAL A 108 -20.210 22.846 -21.365 1.00 20.42 C ATOM 1494 CG2 VAL A 108 -17.756 22.446 -21.674 1.00 18.28 C ATOM 1495 HA VAL A 108 -19.044 20.967 -19.773 1.00 0.00 H ATOM 1496 HB VAL A 108 -19.319 21.500 -22.763 1.00 0.00 H ATOM 1497 HG11 VAL A 108 -21.194 22.386 -21.451 1.00 0.00 H ATOM 1498 HG12 VAL A 108 -20.051 23.178 -20.339 1.00 0.00 H ATOM 1499 HG13 VAL A 108 -20.147 23.701 -22.039 1.00 0.00 H ATOM 1500 HG21 VAL A 108 -17.553 22.773 -20.654 1.00 0.00 H ATOM 1501 HG22 VAL A 108 -17.015 21.705 -21.974 1.00 0.00 H ATOM 1502 HG23 VAL A 108 -17.709 23.302 -22.348 1.00 0.00 H ATOM 1503 H VAL A 108 -18.340 19.114 -22.057 1.00 0.00 H ATOM 1504 N VAL A 109 -21.396 20.037 -19.918 1.00 19.62 N ATOM 1505 CA VAL A 109 -22.718 19.464 -19.969 1.00 21.40 C ATOM 1506 C VAL A 109 -23.649 20.263 -20.861 1.00 22.03 C ATOM 1507 O VAL A 109 -23.601 21.478 -20.918 1.00 22.44 O ATOM 1508 CB VAL A 109 -23.352 19.357 -18.564 1.00 22.42 C ATOM 1509 CG1 VAL A 109 -24.810 18.881 -18.669 1.00 24.44 C ATOM 1510 CG2 VAL A 109 -22.559 18.390 -17.704 1.00 24.50 C ATOM 1511 HA VAL A 109 -22.593 18.465 -20.386 1.00 0.00 H ATOM 1512 HB VAL A 109 -23.334 20.344 -18.102 1.00 0.00 H ATOM 1513 HG11 VAL A 109 -25.382 19.594 -19.264 1.00 0.00 H ATOM 1514 HG12 VAL A 109 -24.838 17.902 -19.147 1.00 0.00 H ATOM 1515 HG13 VAL A 109 -25.241 18.811 -17.670 1.00 0.00 H ATOM 1516 HG21 VAL A 109 -22.559 17.406 -18.172 1.00 0.00 H ATOM 1517 HG22 VAL A 109 -21.534 18.748 -17.607 1.00 0.00 H ATOM 1518 HG23 VAL A 109 -23.017 18.324 -16.717 1.00 0.00 H ATOM 1519 H VAL A 109 -21.079 20.515 -19.050 1.00 0.00 H ATOM 1520 N VAL A 110 -24.458 19.511 -21.588 1.00 25.27 N ATOM 1521 CA VAL A 110 -25.484 20.012 -22.489 1.00 27.17 C ATOM 1522 C VAL A 110 -26.681 20.037 -21.558 1.00 28.46 C ATOM 1523 O VAL A 110 -27.315 18.969 -21.463 1.00 30.69 O ATOM 1524 CB VAL A 110 -25.785 18.991 -23.617 1.00 28.00 C ATOM 1525 CG1 VAL A 110 -27.068 19.368 -24.344 1.00 28.37 C ATOM 1526 CG2 VAL A 110 -24.612 18.909 -24.599 1.00 27.54 C ATOM 1527 HA VAL A 110 -25.219 20.953 -22.972 1.00 0.00 H ATOM 1528 HB VAL A 110 -25.920 18.008 -23.166 1.00 0.00 H ATOM 1529 HG11 VAL A 110 -27.897 19.372 -23.637 1.00 0.00 H ATOM 1530 HG12 VAL A 110 -26.958 20.360 -24.782 1.00 0.00 H ATOM 1531 HG13 VAL A 110 -27.264 18.641 -25.132 1.00 0.00 H ATOM 1532 HG21 VAL A 110 -24.444 19.889 -25.045 1.00 0.00 H ATOM 1533 HG22 VAL A 110 -23.715 18.593 -24.066 1.00 0.00 H ATOM 1534 HG23 VAL A 110 -24.845 18.187 -25.382 1.00 0.00 H ATOM 1535 H VAL A 110 -24.352 18.479 -21.509 1.00 0.00 H TER 1536 VAL A 110 HETATM 1537 O HOH 1 1.998 5.237 -14.067 1.00 19.35 O HETATM 1538 O HOH 2 -14.195 11.122 -36.950 1.00 24.97 O HETATM 1539 O HOH 3 -17.386 2.985 -7.713 1.00 29.65 O HETATM 1540 O HOH 4 -12.690 9.890 -35.597 1.00 21.81 O HETATM 1541 O HOH 5 -23.274 2.957 -5.949 1.00 57.54 O HETATM 1542 O HOH 6 -0.003 9.386 -26.368 1.00 13.74 O HETATM 1543 O HOH 7 -20.369 21.433 -17.644 1.00 23.23 O HETATM 1544 O HOH 8 -2.368 -2.326 -16.081 1.00 21.58 O HETATM 1545 O HOH 9 -17.570 4.917 -6.581 1.00 32.55 O HETATM 1546 O HOH 10 -17.933 12.375 -37.735 1.00 18.53 O HETATM 1547 O HOH 11 -6.612 -4.731 -6.948 1.00 36.95 O HETATM 1548 O HOH 12 -22.397 2.439 -8.093 1.00 36.81 O HETATM 1549 O HOH 13 -14.738 17.526 -12.483 1.00 32.61 O HETATM 1550 O HOH 14 -14.347 6.461 -6.574 1.00 27.36 O HETATM 1551 O HOH 15 -24.596 1.438 -7.170 1.00 55.43 O HETATM 1552 O HOH 16 3.270 9.631 -24.934 1.00 26.39 O HETATM 1553 O HOH 17 0.032 1.955 -24.971 1.00 35.77 O HETATM 1554 O HOH 18 -6.508 -5.487 -24.610 1.00 23.43 O HETATM 1555 O HOH 19 -9.833 18.307 -30.592 1.00 32.21 O HETATM 1556 O HOH 20 5.665 7.719 -18.918 1.00 26.02 O HETATM 1557 O HOH 21 -10.589 23.192 -19.238 1.00 38.04 O HETATM 1558 O HOH 22 0.694 0.394 -9.127 1.00 26.68 O HETATM 1559 O HOH 23 -4.825 -4.024 -28.987 1.00 63.77 O HETATM 1560 O HOH 24 -15.090 0.024 -23.372 1.00 18.93 O HETATM 1561 O HOH 25 -16.391 -0.050 -21.226 1.00 33.47 O HETATM 1562 O HOH 26 -19.052 1.567 -8.261 1.00 35.70 O HETATM 1563 O HOH 27 -28.374 3.345 -26.395 1.00 33.70 O HETATM 1564 O HOH 28 3.969 6.430 -23.929 1.00 61.50 O HETATM 1565 O HOH 29 -10.750 -8.554 -19.352 1.00 22.77 O HETATM 1566 O HOH 30 -21.726 1.177 -9.974 1.00 51.82 O HETATM 1567 O HOH 31 -17.918 6.233 -33.103 1.00 36.29 O HETATM 1568 O HOH 32 -16.040 5.233 -5.030 1.00 72.52 O HETATM 1569 O HOH 33 -21.162 2.211 -12.399 1.00 36.28 O HETATM 1570 O HOH 34 -20.392 -0.496 -10.944 1.00 51.88 O HETATM 1571 O HOH 35 -20.968 3.300 -14.446 1.00 41.39 O HETATM 1572 O HOH 36 -1.466 -2.852 -10.730 1.00 32.88 O HETATM 1573 O HOH 37 -20.460 3.011 -21.991 1.00 37.48 O HETATM 1574 O HOH 38 -19.778 25.589 -23.306 1.00 36.89 O HETATM 1575 O HOH 39 -5.316 -6.979 -26.378 1.00 53.81 O HETATM 1576 O HOH 40 -11.458 -5.248 -15.329 1.00 44.33 O HETATM 1577 O HOH 41 -25.751 6.474 -25.776 1.00 33.78 O HETATM 1578 C17 UNN A 42 -16.200 2.578 -15.127 1.00 -0.05 C HETATM 1579 C16 UNN A 42 -17.131 3.598 -15.079 1.00 0.03 C HETATM 1580 CL2 UNN A 42 -16.658 5.013 -14.276 1.00 -0.07 CL HETATM 1581 C15 UNN A 42 -18.354 3.498 -15.715 1.00 -0.05 C HETATM 1582 C14 UNN A 42 -18.669 2.329 -16.445 1.00 -0.07 C HETATM 1583 C13 UNN A 42 -17.727 1.286 -16.512 1.00 -0.06 C HETATM 1584 C6 UNN A 42 -16.478 1.405 -15.854 1.00 -0.04 C HETATM 1585 C2 UNN A 42 -15.397 0.334 -15.973 1.00 0.03 C HETATM 1586 C3 UNN A 42 -15.880 -1.036 -15.596 1.00 -0.02 C HETATM 1587 C4 UNN A 42 -14.753 -2.062 -15.465 1.00 0.06 C HETATM 1588 C23 UNN A 42 -13.935 -1.946 -14.161 1.00 0.01 C HETATM 1589 C25 UNN A 42 -14.789 -2.183 -12.914 1.00 0.03 C HETATM 1590 O3 UNN A 42 -15.526 -1.363 -12.431 1.00 -0.57 O HETATM 1591 O2 UNN A 42 -14.635 -3.451 -12.385 1.00 -0.57 O HETATM 1592 H8 UNN A 42 -13.501 -0.937 -14.105 1.00 0.04 H HETATM 1593 H9 UNN A 42 -13.127 -2.692 -14.183 1.00 0.04 H HETATM 1594 C24 UNN A 42 -15.394 -3.436 -15.569 1.00 -0.05 C HETATM 1595 H10 UNN A 42 -15.972 -3.501 -16.503 1.00 0.02 H HETATM 1596 H11 UNN A 42 -16.064 -3.594 -14.711 1.00 0.02 H HETATM 1597 H12 UNN A 42 -14.610 -4.207 -15.569 1.00 0.02 H HETATM 1598 C5 UNN A 42 -13.738 -1.948 -16.620 1.00 0.21 C HETATM 1599 O1 UNN A 42 -12.871 -2.814 -16.678 1.00 -0.34 O HETATM 1600 N1 UNN A 42 -13.824 -0.913 -17.536 1.00 -0.25 N HETATM 1601 C18 UNN A 42 -13.089 -1.035 -18.789 1.00 0.07 C HETATM 1602 C19 UNN A 42 -11.578 -1.209 -18.488 1.00 -0.03 C HETATM 1603 C22 UNN A 42 -10.699 -0.052 -19.012 1.00 -0.06 C HETATM 1604 H16 UNN A 42 -9.646 -0.248 -18.761 1.00 0.02 H HETATM 1605 H17 UNN A 42 -11.018 0.891 -18.545 1.00 0.02 H HETATM 1606 H18 UNN A 42 -10.807 0.025 -20.104 1.00 0.02 H HETATM 1607 H14 UNN A 42 -11.237 -2.143 -18.957 1.00 0.03 H HETATM 1608 H15 UNN A 42 -11.447 -1.277 -17.398 1.00 0.03 H HETATM 1609 C20 UNN A 42 -13.699 -2.123 -19.695 1.00 0.08 C HETATM 1610 O4 UNN A 42 -15.109 -2.228 -19.542 1.00 -0.39 O HETATM 1611 H20 UNN A 42 -15.513 -1.398 -19.766 1.00 0.21 H HETATM 1612 C21 UNN A 42 -13.513 -1.757 -21.156 1.00 -0.04 C HETATM 1613 H21 UNN A 42 -13.953 -2.542 -21.789 1.00 0.03 H HETATM 1614 H22 UNN A 42 -12.439 -1.666 -21.377 1.00 0.03 H HETATM 1615 H23 UNN A 42 -14.012 -0.798 -21.360 1.00 0.03 H HETATM 1616 H19 UNN A 42 -13.219 -3.087 -19.471 1.00 0.06 H HETATM 1617 H13 UNN A 42 -13.198 -0.083 -19.330 1.00 0.06 H HETATM 1618 C1 UNN A 42 -14.626 0.329 -17.308 1.00 0.09 C HETATM 1619 C7 UNN A 42 -13.915 1.646 -17.545 1.00 -0.02 C HETATM 1620 C8 UNN A 42 -12.798 2.051 -16.761 1.00 -0.06 C HETATM 1621 C9 UNN A 42 -12.212 3.299 -17.007 1.00 -0.05 C HETATM 1622 C10 UNN A 42 -12.723 4.144 -18.013 1.00 0.03 C HETATM 1623 CL1 UNN A 42 -12.014 5.691 -18.235 1.00 -0.08 CL HETATM 1624 C11 UNN A 42 -13.814 3.772 -18.800 1.00 -0.05 C HETATM 1625 C12 UNN A 42 -14.412 2.510 -18.564 1.00 -0.06 C HETATM 1626 H28 UNN A 42 -15.258 2.197 -19.166 1.00 0.06 H HETATM 1627 H27 UNN A 42 -14.194 4.432 -19.572 1.00 0.06 H HETATM 1628 H26 UNN A 42 -11.359 3.618 -16.419 1.00 0.06 H HETATM 1629 H25 UNN A 42 -12.407 1.403 -15.985 1.00 0.06 H HETATM 1630 H24 UNN A 42 -15.403 0.292 -18.086 1.00 0.07 H HETATM 1631 H6 UNN A 42 -16.580 -1.384 -16.369 1.00 0.03 H HETATM 1632 H7 UNN A 42 -16.404 -0.968 -14.631 1.00 0.03 H HETATM 1633 H5 UNN A 42 -14.649 0.601 -15.212 1.00 0.05 H HETATM 1634 H4 UNN A 42 -17.958 0.386 -17.070 1.00 0.06 H HETATM 1635 H3 UNN A 42 -19.625 2.237 -16.947 1.00 0.06 H HETATM 1636 H2 UNN A 42 -19.068 4.311 -15.654 1.00 0.06 H HETATM 1637 H1 UNN A 42 -15.256 2.681 -14.605 1.00 0.06 H CONECT 1 2 19 20 21 CONECT 19 1 CONECT 20 1 CONECT 21 1 CONECT 1578 1579 1584 1637 CONECT 1579 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 1582 1636 CONECT 1582 1581 1583 1635 CONECT 1583 1582 1584 1634 CONECT 1584 1578 1583 1585 CONECT 1585 1584 1586 1618 1633 CONECT 1586 1585 1587 1631 1632 CONECT 1587 1586 1588 1594 1598 CONECT 1588 1587 1589 1592 1593 CONECT 1589 1588 1590 1591 CONECT 1590 1589 CONECT 1591 1589 CONECT 1592 1588 CONECT 1593 1588 CONECT 1594 1587 1595 1596 1597 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1594 CONECT 1598 1587 1599 1600 CONECT 1599 1598 CONECT 1600 1598 1601 1618 CONECT 1601 1600 1602 1609 1617 CONECT 1602 1601 1603 1607 1608 CONECT 1603 1602 1604 1605 1606 CONECT 1604 1603 CONECT 1605 1603 CONECT 1606 1603 CONECT 1607 1602 CONECT 1608 1602 CONECT 1609 1601 1610 1612 1616 CONECT 1610 1609 1611 CONECT 1611 1610 CONECT 1612 1609 1613 1614 1615 CONECT 1613 1612 CONECT 1614 1612 CONECT 1615 1612 CONECT 1616 1609 CONECT 1617 1601 CONECT 1618 1585 1600 1619 1630 CONECT 1619 1618 1620 1625 CONECT 1620 1619 1621 1629 CONECT 1621 1620 1622 1628 CONECT 1622 1621 1623 1624 CONECT 1623 1622 CONECT 1624 1622 1625 1627 CONECT 1625 1619 1624 1626 CONECT 1626 1625 CONECT 1627 1624 CONECT 1628 1621 CONECT 1629 1620 CONECT 1630 1618 CONECT 1631 1586 CONECT 1632 1586 CONECT 1633 1585 CONECT 1634 1583 CONECT 1635 1582 CONECT 1636 1581 CONECT 1637 1578 MASTER 0 0 0 0 0 0 0 0 1636 1 64 8 END
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RCSB PDB
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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
4erf
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
0R3
EC.Number
E.C.6.3.2
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=0.4nM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Med.Chem. Vol. 55: pp. 4936-4954
Ligand Properties
Formula
C
2
5
H
2
9
Cl
2
NO
4
Molecular Weight
478.408
Exact Mass
477.147
No. of atoms
61
No. of bonds
63
Polar Surface Area
77.84
LOGP Value
6.36 (
Computed with XLOGP3
)
5.63 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CC[C@H](N1[C@H](c2ccc(cc2)Cl)[C@H](C[C@](C1=O)(C)CC(=O)O)c1cccc(c1)Cl)[C@@H](O)C
InChI String
InChI=1S/C25H29Cl2NO4/c1-4-21(15(2)29)28-23(16-8-10-18(26)11-9-16)20(17-6-5-7-19(27)12-17)13-25(3,24(28)32)14-22(30)31/h5-12,15,20-21,23,29H,4,13-14H2,1-3H3,(H,30,31)/t15-,20+,21-,23+,25+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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