Browse entries in the PDBbind-CN Database
HEADER 3LBL_COMPLEX COMPND 3LBL_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 94 MET GLN ILE PRO ALA SER GLU GLN GLU THR LEU VAL ARG SEQRES 2 A 94 PRO LYS PRO LEU LEU LEU LYS LEU LEU LYS SER VAL GLY SEQRES 3 A 94 ALA GLN LYS ASP THR TYR THR MET LYS GLU VAL LEU PHE SEQRES 4 A 94 TYR LEU GLY GLN TYR ILE MET THR LYS ARG LEU TYR ASP SEQRES 5 A 94 GLU LYS GLN GLN HIS ILE VAL TYR CYS SER ASN ASP LEU SEQRES 6 A 94 LEU GLY ASP LEU PHE GLY VAL PRO SER PHE SER VAL LYS SEQRES 7 A 94 GLU HIS ARG LYS ILE TYR THR MET ILE TYR ARG ASN LEU SEQRES 8 A 94 VAL VAL VAL HET MI A 6 56 ATOM 1 N MET A 17 -19.214 5.095 -4.944 1.00 32.05 N ATOM 2 CA MET A 17 -20.104 5.889 -5.839 1.00 31.87 C ATOM 3 C MET A 17 -20.899 4.967 -6.749 1.00 31.23 C ATOM 4 O MET A 17 -20.335 4.082 -7.394 1.00 31.37 O ATOM 5 CB MET A 17 -19.275 6.848 -6.699 1.00 32.20 C ATOM 6 CG MET A 17 -20.098 7.773 -7.605 1.00 33.23 C ATOM 7 SD MET A 17 -19.076 8.746 -8.736 1.00 34.95 S ATOM 8 CE MET A 17 -18.447 7.457 -9.807 1.00 35.40 C ATOM 9 HA MET A 17 -20.790 6.461 -5.214 1.00 0.00 H ATOM 10 HB2 MET A 17 -18.676 7.470 -6.033 1.00 0.00 H ATOM 11 HB3 MET A 17 -18.615 6.253 -7.331 1.00 0.00 H ATOM 12 HG2 MET A 17 -20.669 8.457 -6.977 1.00 0.00 H ATOM 13 HG3 MET A 17 -20.784 7.163 -8.193 1.00 0.00 H ATOM 14 HE1 MET A 17 -17.882 6.738 -9.214 1.00 0.00 H ATOM 15 HE2 MET A 17 -19.281 6.952 -10.294 1.00 0.00 H ATOM 16 HE3 MET A 17 -17.797 7.899 -10.562 1.00 0.00 H ATOM 17 HN3 MET A 17 -18.554 4.536 -5.521 1.00 0.00 H ATOM 18 HN2 MET A 17 -19.792 4.457 -4.360 1.00 0.00 H ATOM 19 HN1 MET A 17 -18.678 5.740 -4.329 1.00 0.00 H ATOM 20 N GLN A 18 -22.208 5.183 -6.802 1.00 30.26 N ATOM 21 CA GLN A 18 -23.054 4.512 -7.775 1.00 29.60 C ATOM 22 C GLN A 18 -23.562 5.555 -8.761 1.00 27.96 C ATOM 23 O GLN A 18 -24.101 6.590 -8.366 1.00 28.17 O ATOM 24 CB GLN A 18 -24.210 3.801 -7.083 1.00 30.20 C ATOM 25 CG GLN A 18 -23.765 2.626 -6.231 1.00 31.99 C ATOM 26 CD GLN A 18 -24.902 1.997 -5.451 1.00 34.80 C ATOM 27 OE1 GLN A 18 -26.080 2.199 -5.764 1.00 35.93 O ATOM 28 NE2 GLN A 18 -24.556 1.225 -4.427 1.00 35.68 N ATOM 29 HA GLN A 18 -22.483 3.751 -8.308 1.00 0.00 H ATOM 30 HB2 GLN A 18 -24.725 4.518 -6.443 1.00 0.00 H ATOM 31 HB3 GLN A 18 -24.898 3.436 -7.845 1.00 0.00 H ATOM 32 HG2 GLN A 18 -23.330 1.869 -6.883 1.00 0.00 H ATOM 33 HG3 GLN A 18 -23.010 2.974 -5.526 1.00 0.00 H ATOM 34 HE22 GLN A 18 -23.551 1.083 -4.199 1.00 0.00 H ATOM 35 HE21 GLN A 18 -25.290 0.763 -3.853 1.00 0.00 H ATOM 36 H GLN A 18 -22.639 5.849 -6.130 1.00 0.00 H ATOM 37 N ILE A 19 -23.360 5.289 -10.044 1.00 25.73 N ATOM 38 CA ILE A 19 -23.760 6.224 -11.088 1.00 24.12 C ATOM 39 C ILE A 19 -25.114 5.757 -11.601 1.00 22.50 C ATOM 40 O ILE A 19 -25.236 4.624 -12.054 1.00 22.45 O ATOM 41 CB ILE A 19 -22.725 6.265 -12.225 1.00 24.16 C ATOM 42 CG1 ILE A 19 -21.387 6.778 -11.683 1.00 24.83 C ATOM 43 CG2 ILE A 19 -23.206 7.153 -13.361 1.00 23.97 C ATOM 44 CD1 ILE A 19 -20.243 6.681 -12.669 1.00 25.12 C ATOM 45 HA ILE A 19 -23.823 7.238 -10.692 1.00 0.00 H ATOM 46 HB ILE A 19 -22.594 5.256 -12.616 1.00 0.00 H ATOM 47 HG12 ILE A 19 -21.510 7.824 -11.402 1.00 0.00 H ATOM 48 HG13 ILE A 19 -21.129 6.194 -10.800 1.00 0.00 H ATOM 49 HD11 ILE A 19 -20.097 5.639 -12.952 1.00 0.00 H ATOM 50 HD12 ILE A 19 -20.478 7.270 -13.555 1.00 0.00 H ATOM 51 HD13 ILE A 19 -19.333 7.064 -12.207 1.00 0.00 H ATOM 52 HG21 ILE A 19 -24.145 6.762 -13.753 1.00 0.00 H ATOM 53 HG22 ILE A 19 -23.360 8.166 -12.989 1.00 0.00 H ATOM 54 HG23 ILE A 19 -22.457 7.166 -14.153 1.00 0.00 H ATOM 55 H ILE A 19 -22.906 4.393 -10.312 1.00 0.00 H ATOM 56 N PRO A 20 -26.144 6.615 -11.505 1.00 20.58 N ATOM 57 CA PRO A 20 -27.455 6.219 -11.991 1.00 19.67 C ATOM 58 C PRO A 20 -27.476 6.089 -13.503 1.00 18.94 C ATOM 59 O PRO A 20 -26.717 6.763 -14.191 1.00 18.21 O ATOM 60 CB PRO A 20 -28.353 7.379 -11.547 1.00 19.50 C ATOM 61 CG PRO A 20 -27.454 8.544 -11.524 1.00 19.78 C ATOM 62 CD PRO A 20 -26.139 8.014 -11.039 1.00 20.50 C ATOM 63 HA PRO A 20 -27.766 5.247 -11.608 1.00 0.00 H ATOM 64 HD3 PRO A 20 -25.309 8.569 -11.476 1.00 0.00 H ATOM 65 HD2 PRO A 20 -26.075 8.064 -9.952 1.00 0.00 H ATOM 66 HG3 PRO A 20 -27.833 9.307 -10.844 1.00 0.00 H ATOM 67 HG2 PRO A 20 -27.351 8.968 -12.523 1.00 0.00 H ATOM 68 HB2 PRO A 20 -29.166 7.532 -12.256 1.00 0.00 H ATOM 69 HB3 PRO A 20 -28.767 7.190 -10.557 1.00 0.00 H ATOM 70 N ALA A 21 -28.352 5.235 -14.016 1.00 18.53 N ATOM 71 CA ALA A 21 -28.444 5.016 -15.459 1.00 18.06 C ATOM 72 C ALA A 21 -28.690 6.300 -16.252 1.00 17.25 C ATOM 73 O ALA A 21 -28.173 6.453 -17.360 1.00 17.22 O ATOM 74 CB ALA A 21 -29.527 3.988 -15.765 1.00 18.42 C ATOM 75 HA ALA A 21 -27.473 4.638 -15.780 1.00 0.00 H ATOM 76 HB1 ALA A 21 -29.281 3.046 -15.275 1.00 0.00 H ATOM 77 HB2 ALA A 21 -30.486 4.352 -15.396 1.00 0.00 H ATOM 78 HB3 ALA A 21 -29.586 3.834 -16.842 1.00 0.00 H ATOM 79 H ALA A 21 -28.986 4.711 -13.379 1.00 0.00 H ATOM 80 N SER A 22 -29.461 7.232 -15.693 1.00 16.19 N ATOM 81 CA SER A 22 -29.791 8.461 -16.407 1.00 15.90 C ATOM 82 C SER A 22 -28.551 9.282 -16.774 1.00 15.23 C ATOM 83 O SER A 22 -28.560 9.993 -17.775 1.00 15.33 O ATOM 84 CB SER A 22 -30.767 9.328 -15.606 1.00 15.90 C ATOM 85 OG SER A 22 -30.198 9.754 -14.386 1.00 16.79 O ATOM 86 HA SER A 22 -30.270 8.149 -17.335 1.00 0.00 H ATOM 87 HB2 SER A 22 -31.665 8.748 -15.395 1.00 0.00 H ATOM 88 HB3 SER A 22 -31.032 10.204 -16.199 1.00 0.00 H ATOM 89 HG SER A 22 -30.853 10.310 -13.894 1.00 0.00 H ATOM 90 H SER A 22 -29.833 7.081 -14.734 1.00 0.00 H ATOM 91 N GLU A 23 -27.501 9.179 -15.963 1.00 15.13 N ATOM 92 CA GLU A 23 -26.264 9.930 -16.197 1.00 15.05 C ATOM 93 C GLU A 23 -25.562 9.477 -17.481 1.00 15.27 C ATOM 94 O GLU A 23 -24.833 10.261 -18.107 1.00 14.74 O ATOM 95 CB GLU A 23 -25.332 9.811 -14.985 1.00 15.14 C ATOM 96 CG GLU A 23 -23.870 10.154 -15.228 1.00 15.05 C ATOM 97 CD GLU A 23 -23.631 11.609 -15.580 1.00 15.65 C ATOM 98 OE1 GLU A 23 -22.482 11.922 -15.942 1.00 16.51 O ATOM 99 OE2 GLU A 23 -24.568 12.437 -15.495 1.00 15.86 O ATOM 100 HA GLU A 23 -26.527 10.979 -16.329 1.00 0.00 H ATOM 101 HB2 GLU A 23 -25.707 10.479 -14.210 1.00 0.00 H ATOM 102 HB3 GLU A 23 -25.378 8.782 -14.629 1.00 0.00 H ATOM 103 HG2 GLU A 23 -23.308 9.923 -14.323 1.00 0.00 H ATOM 104 HG3 GLU A 23 -23.504 9.537 -16.049 1.00 0.00 H ATOM 105 H GLU A 23 -27.560 8.547 -15.139 1.00 0.00 H ATOM 106 N GLN A 24 -25.799 8.233 -17.897 1.00 15.91 N ATOM 107 CA GLN A 24 -25.238 7.746 -19.159 1.00 16.53 C ATOM 108 C GLN A 24 -25.722 8.584 -20.349 1.00 16.48 C ATOM 109 O GLN A 24 -25.058 8.632 -21.387 1.00 16.58 O ATOM 110 CB GLN A 24 -25.589 6.270 -19.393 1.00 17.25 C ATOM 111 CG GLN A 24 -25.044 5.312 -18.349 1.00 19.20 C ATOM 112 CD GLN A 24 -25.188 3.848 -18.750 1.00 23.10 C ATOM 113 OE1 GLN A 24 -25.034 3.488 -19.923 1.00 24.58 O ATOM 114 NE2 GLN A 24 -25.474 2.994 -17.772 1.00 24.81 N ATOM 115 HA GLN A 24 -24.155 7.842 -19.081 1.00 0.00 H ATOM 116 HB2 GLN A 24 -26.675 6.177 -19.404 1.00 0.00 H ATOM 117 HB3 GLN A 24 -25.190 5.976 -20.364 1.00 0.00 H ATOM 118 HG2 GLN A 24 -23.987 5.528 -18.197 1.00 0.00 H ATOM 119 HG3 GLN A 24 -25.584 5.471 -17.416 1.00 0.00 H ATOM 120 HE22 GLN A 24 -25.595 3.340 -16.799 1.00 0.00 H ATOM 121 HE21 GLN A 24 -25.576 1.980 -17.980 1.00 0.00 H ATOM 122 H GLN A 24 -26.389 7.601 -17.319 1.00 0.00 H ATOM 123 N GLU A 25 -26.860 9.259 -20.195 1.00 16.32 N ATOM 124 CA GLU A 25 -27.420 10.067 -21.274 1.00 16.65 C ATOM 125 C GLU A 25 -27.114 11.566 -21.153 1.00 15.18 C ATOM 126 O GLU A 25 -27.570 12.363 -21.964 1.00 15.13 O ATOM 127 CB GLU A 25 -28.927 9.828 -21.382 1.00 17.92 C ATOM 128 CG GLU A 25 -29.335 8.347 -21.493 1.00 20.93 C ATOM 129 CD GLU A 25 -28.493 7.521 -22.473 1.00 25.21 C ATOM 130 OE1 GLU A 25 -27.908 8.085 -23.426 1.00 27.56 O ATOM 131 OE2 GLU A 25 -28.417 6.284 -22.291 1.00 27.76 O ATOM 132 HA GLU A 25 -26.927 9.740 -22.190 1.00 0.00 H ATOM 133 HB2 GLU A 25 -29.402 10.246 -20.495 1.00 0.00 H ATOM 134 HB3 GLU A 25 -29.291 10.349 -22.268 1.00 0.00 H ATOM 135 HG2 GLU A 25 -29.247 7.895 -20.505 1.00 0.00 H ATOM 136 HG3 GLU A 25 -30.374 8.305 -21.819 1.00 0.00 H ATOM 137 H GLU A 25 -27.361 9.209 -19.285 1.00 0.00 H ATOM 138 N THR A 26 -26.333 11.945 -20.153 1.00 14.01 N ATOM 139 CA THR A 26 -25.944 13.335 -19.979 1.00 13.34 C ATOM 140 C THR A 26 -25.137 13.786 -21.182 1.00 13.17 C ATOM 141 O THR A 26 -24.212 13.097 -21.602 1.00 12.99 O ATOM 142 CB THR A 26 -25.126 13.509 -18.699 1.00 13.19 C ATOM 143 OG1 THR A 26 -25.986 13.277 -17.577 1.00 12.82 O ATOM 144 CG2 THR A 26 -24.529 14.910 -18.605 1.00 13.06 C ATOM 145 HA THR A 26 -26.842 13.947 -19.894 1.00 0.00 H ATOM 146 HB THR A 26 -24.301 12.797 -18.707 1.00 0.00 H ATOM 147 HG1 THR A 26 -25.470 13.386 -16.739 1.00 0.00 H ATOM 148 HG23 THR A 26 -23.875 15.083 -19.460 1.00 0.00 H ATOM 149 HG21 THR A 26 -25.332 15.647 -18.605 1.00 0.00 H ATOM 150 HG22 THR A 26 -23.954 14.998 -17.683 1.00 0.00 H ATOM 151 H THR A 26 -25.990 11.233 -19.477 1.00 0.00 H ATOM 152 N LEU A 27 -25.500 14.943 -21.723 1.00 12.88 N ATOM 153 CA LEU A 27 -24.888 15.473 -22.941 1.00 13.30 C ATOM 154 C LEU A 27 -23.725 16.395 -22.597 1.00 12.69 C ATOM 155 O LEU A 27 -23.872 17.311 -21.787 1.00 13.07 O ATOM 156 CB LEU A 27 -25.932 16.232 -23.766 1.00 13.66 C ATOM 157 CG LEU A 27 -27.078 15.349 -24.259 1.00 16.10 C ATOM 158 CD1 LEU A 27 -28.268 16.198 -24.690 1.00 18.47 C ATOM 159 CD2 LEU A 27 -26.607 14.469 -25.388 1.00 18.49 C ATOM 160 HA LEU A 27 -24.507 14.638 -23.529 1.00 0.00 H ATOM 161 HB2 LEU A 27 -26.350 17.027 -23.148 1.00 0.00 H ATOM 162 HB3 LEU A 27 -25.436 16.670 -24.632 1.00 0.00 H ATOM 163 HG LEU A 27 -27.404 14.711 -23.437 1.00 0.00 H ATOM 164 HD21 LEU A 27 -26.256 15.092 -26.211 1.00 0.00 H ATOM 165 HD22 LEU A 27 -25.792 13.835 -25.037 1.00 0.00 H ATOM 166 HD23 LEU A 27 -27.433 13.845 -25.730 1.00 0.00 H ATOM 167 HD11 LEU A 27 -28.618 16.788 -23.843 1.00 0.00 H ATOM 168 HD12 LEU A 27 -27.964 16.864 -25.498 1.00 0.00 H ATOM 169 HD13 LEU A 27 -29.071 15.547 -25.037 1.00 0.00 H ATOM 170 H LEU A 27 -26.251 15.495 -21.261 1.00 0.00 H ATOM 171 N VAL A 28 -22.576 16.166 -23.231 1.00 12.44 N ATOM 172 CA VAL A 28 -21.357 16.902 -22.901 1.00 12.56 C ATOM 173 C VAL A 28 -20.590 17.318 -24.152 1.00 13.19 C ATOM 174 O VAL A 28 -20.739 16.708 -25.214 1.00 13.44 O ATOM 175 CB VAL A 28 -20.430 16.069 -21.996 1.00 12.59 C ATOM 176 CG1 VAL A 28 -21.119 15.735 -20.694 1.00 12.12 C ATOM 177 CG2 VAL A 28 -19.990 14.784 -22.696 1.00 12.37 C ATOM 178 HA VAL A 28 -21.672 17.799 -22.368 1.00 0.00 H ATOM 179 HB VAL A 28 -19.544 16.668 -21.785 1.00 0.00 H ATOM 180 HG11 VAL A 28 -21.383 16.658 -20.177 1.00 0.00 H ATOM 181 HG12 VAL A 28 -22.023 15.161 -20.899 1.00 0.00 H ATOM 182 HG13 VAL A 28 -20.447 15.146 -20.069 1.00 0.00 H ATOM 183 HG21 VAL A 28 -20.868 14.187 -22.942 1.00 0.00 H ATOM 184 HG22 VAL A 28 -19.453 15.036 -23.610 1.00 0.00 H ATOM 185 HG23 VAL A 28 -19.337 14.216 -22.033 1.00 0.00 H ATOM 186 H VAL A 28 -22.546 15.445 -23.980 1.00 0.00 H ATOM 187 N ARG A 29 -19.792 18.375 -24.009 1.00 13.66 N ATOM 188 CA ARG A 29 -18.876 18.838 -25.048 1.00 15.08 C ATOM 189 C ARG A 29 -17.455 18.669 -24.536 1.00 14.80 C ATOM 190 O ARG A 29 -17.065 19.342 -23.583 1.00 14.98 O ATOM 191 CB ARG A 29 -19.120 20.306 -25.383 1.00 16.15 C ATOM 192 CG ARG A 29 -20.484 20.580 -25.972 1.00 20.27 C ATOM 193 CD ARG A 29 -20.534 21.940 -26.651 1.00 25.89 C ATOM 194 NE ARG A 29 -21.797 22.116 -27.365 1.00 30.67 N ATOM 195 CZ ARG A 29 -22.875 22.738 -26.889 1.00 34.58 C ATOM 196 NH1 ARG A 29 -22.879 23.287 -25.674 1.00 36.15 N ATOM 197 NH2 ARG A 29 -23.968 22.814 -27.642 1.00 35.51 N ATOM 198 HA ARG A 29 -19.038 18.254 -25.954 1.00 0.00 H ATOM 199 HB2 ARG A 29 -19.017 20.889 -24.468 1.00 0.00 H ATOM 200 HB3 ARG A 29 -18.365 20.625 -26.102 1.00 0.00 H ATOM 201 HG2 ARG A 29 -20.715 19.808 -26.706 1.00 0.00 H ATOM 202 HG3 ARG A 29 -21.226 20.554 -25.174 1.00 0.00 H ATOM 203 HD2 ARG A 29 -19.709 22.017 -27.359 1.00 0.00 H ATOM 204 HD3 ARG A 29 -20.438 22.721 -25.896 1.00 0.00 H ATOM 205 HE ARG A 29 -21.860 21.723 -28.326 1.00 0.00 H ATOM 206 HH12 ARG A 29 -23.732 23.768 -25.323 1.00 0.00 H ATOM 207 HH11 ARG A 29 -22.029 23.235 -25.077 1.00 0.00 H ATOM 208 HH22 ARG A 29 -24.815 23.297 -27.281 1.00 0.00 H ATOM 209 HH21 ARG A 29 -23.976 22.390 -28.592 1.00 0.00 H ATOM 210 H ARG A 29 -19.823 18.898 -23.111 1.00 0.00 H ATOM 211 N PRO A 30 -16.670 17.770 -25.160 1.00 14.81 N ATOM 212 CA PRO A 30 -15.305 17.590 -24.670 1.00 14.45 C ATOM 213 C PRO A 30 -14.408 18.798 -24.920 1.00 14.10 C ATOM 214 O PRO A 30 -14.554 19.494 -25.934 1.00 14.42 O ATOM 215 CB PRO A 30 -14.794 16.394 -25.483 1.00 14.69 C ATOM 216 CG PRO A 30 -15.603 16.414 -26.738 1.00 15.89 C ATOM 217 CD PRO A 30 -16.970 16.858 -26.281 1.00 15.31 C ATOM 218 HA PRO A 30 -15.292 17.448 -23.589 1.00 0.00 H ATOM 219 HD3 PRO A 30 -17.499 17.379 -27.079 1.00 0.00 H ATOM 220 HD2 PRO A 30 -17.566 16.009 -25.946 1.00 0.00 H ATOM 221 HG3 PRO A 30 -15.647 15.422 -27.187 1.00 0.00 H ATOM 222 HG2 PRO A 30 -15.186 17.119 -27.457 1.00 0.00 H ATOM 223 HB2 PRO A 30 -13.733 16.507 -25.707 1.00 0.00 H ATOM 224 HB3 PRO A 30 -14.952 15.463 -24.938 1.00 0.00 H ATOM 225 N LYS A 31 -13.479 19.024 -23.999 1.00 13.39 N ATOM 226 CA LYS A 31 -12.441 20.017 -24.196 1.00 13.66 C ATOM 227 C LYS A 31 -11.417 19.455 -25.191 1.00 14.05 C ATOM 228 O LYS A 31 -11.457 18.270 -25.525 1.00 13.43 O ATOM 229 CB LYS A 31 -11.823 20.399 -22.857 1.00 13.51 C ATOM 230 CG LYS A 31 -12.825 21.083 -21.914 1.00 14.37 C ATOM 231 CD LYS A 31 -12.185 21.452 -20.592 1.00 15.53 C ATOM 232 CE LYS A 31 -13.189 22.099 -19.646 1.00 16.16 C ATOM 233 NZ LYS A 31 -12.633 22.274 -18.279 1.00 16.78 N ATOM 234 HA LYS A 31 -12.851 20.935 -24.616 1.00 0.00 H ATOM 235 HB2 LYS A 31 -11.450 19.495 -22.374 1.00 0.00 H ATOM 236 HB3 LYS A 31 -10.993 21.081 -23.038 1.00 0.00 H ATOM 237 HG2 LYS A 31 -13.199 21.989 -22.391 1.00 0.00 H ATOM 238 HG3 LYS A 31 -13.656 20.403 -21.727 1.00 0.00 H ATOM 239 HD2 LYS A 31 -11.789 20.550 -20.126 1.00 0.00 H ATOM 240 HD3 LYS A 31 -11.370 22.152 -20.776 1.00 0.00 H ATOM 241 HE2 LYS A 31 -14.075 21.467 -19.588 1.00 0.00 H ATOM 242 HE3 LYS A 31 -13.466 23.076 -20.041 1.00 0.00 H ATOM 243 HZ1 LYS A 31 -12.372 21.345 -17.891 1.00 0.00 H ATOM 244 HZ2 LYS A 31 -11.790 22.882 -18.324 1.00 0.00 H ATOM 245 HZ3 LYS A 31 -13.349 22.717 -17.669 1.00 0.00 H ATOM 246 H LYS A 31 -13.496 18.476 -23.115 1.00 0.00 H ATOM 247 N PRO A 32 -10.510 20.307 -25.697 1.00 14.85 N ATOM 248 CA PRO A 32 -9.703 19.869 -26.843 1.00 15.11 C ATOM 249 C PRO A 32 -8.868 18.591 -26.678 1.00 15.17 C ATOM 250 O PRO A 32 -8.825 17.794 -27.617 1.00 15.26 O ATOM 251 CB PRO A 32 -8.828 21.089 -27.127 1.00 15.65 C ATOM 252 CG PRO A 32 -9.674 22.219 -26.710 1.00 15.67 C ATOM 253 CD PRO A 32 -10.364 21.756 -25.467 1.00 15.46 C ATOM 254 HA PRO A 32 -10.360 19.562 -27.657 1.00 0.00 H ATOM 255 HD3 PRO A 32 -9.758 21.955 -24.583 1.00 0.00 H ATOM 256 HD2 PRO A 32 -11.336 22.236 -25.355 1.00 0.00 H ATOM 257 HG3 PRO A 32 -10.402 22.458 -27.485 1.00 0.00 H ATOM 258 HG2 PRO A 32 -9.063 23.098 -26.504 1.00 0.00 H ATOM 259 HB2 PRO A 32 -7.908 21.054 -26.544 1.00 0.00 H ATOM 260 HB3 PRO A 32 -8.582 21.155 -28.187 1.00 0.00 H ATOM 261 N LEU A 33 -8.224 18.371 -25.529 1.00 15.28 N ATOM 262 CA LEU A 33 -7.407 17.159 -25.376 1.00 15.47 C ATOM 263 C LEU A 33 -8.276 15.904 -25.327 1.00 14.44 C ATOM 264 O LEU A 33 -7.933 14.883 -25.925 1.00 14.61 O ATOM 265 CB LEU A 33 -6.480 17.212 -24.152 1.00 16.39 C ATOM 266 CG LEU A 33 -5.543 15.992 -24.047 1.00 18.66 C ATOM 267 CD1 LEU A 33 -4.686 15.827 -25.306 1.00 21.17 C ATOM 268 CD2 LEU A 33 -4.654 16.079 -22.813 1.00 21.01 C ATOM 269 HA LEU A 33 -6.771 17.113 -26.260 1.00 0.00 H ATOM 270 HB2 LEU A 33 -5.870 18.113 -24.218 1.00 0.00 H ATOM 271 HB3 LEU A 33 -7.095 17.256 -23.253 1.00 0.00 H ATOM 272 HG LEU A 33 -6.179 15.112 -23.952 1.00 0.00 H ATOM 273 HD21 LEU A 33 -4.044 16.981 -22.869 1.00 0.00 H ATOM 274 HD22 LEU A 33 -5.277 16.115 -21.920 1.00 0.00 H ATOM 275 HD23 LEU A 33 -4.007 15.203 -22.771 1.00 0.00 H ATOM 276 HD11 LEU A 33 -5.335 15.689 -26.170 1.00 0.00 H ATOM 277 HD12 LEU A 33 -4.075 16.719 -25.448 1.00 0.00 H ATOM 278 HD13 LEU A 33 -4.040 14.957 -25.193 1.00 0.00 H ATOM 279 H LEU A 33 -8.300 19.053 -24.747 1.00 0.00 H ATOM 280 N LEU A 34 -9.402 15.967 -24.624 1.00 13.66 N ATOM 281 CA LEU A 34 -10.311 14.824 -24.597 1.00 13.47 C ATOM 282 C LEU A 34 -10.845 14.546 -26.003 1.00 13.52 C ATOM 283 O LEU A 34 -10.890 13.397 -26.437 1.00 13.41 O ATOM 284 CB LEU A 34 -11.460 15.048 -23.612 1.00 13.43 C ATOM 285 CG LEU A 34 -12.539 13.965 -23.617 1.00 13.70 C ATOM 286 CD1 LEU A 34 -11.950 12.585 -23.311 1.00 15.08 C ATOM 287 CD2 LEU A 34 -13.651 14.324 -22.643 1.00 15.27 C ATOM 288 HA LEU A 34 -9.754 13.952 -24.254 1.00 0.00 H ATOM 289 HB2 LEU A 34 -11.039 15.101 -22.608 1.00 0.00 H ATOM 290 HB3 LEU A 34 -11.934 15.999 -23.856 1.00 0.00 H ATOM 291 HG LEU A 34 -12.966 13.914 -24.619 1.00 0.00 H ATOM 292 HD21 LEU A 34 -13.238 14.411 -21.638 1.00 0.00 H ATOM 293 HD22 LEU A 34 -14.098 15.274 -22.937 1.00 0.00 H ATOM 294 HD23 LEU A 34 -14.412 13.543 -22.658 1.00 0.00 H ATOM 295 HD11 LEU A 34 -11.205 12.334 -24.066 1.00 0.00 H ATOM 296 HD12 LEU A 34 -11.481 12.601 -22.327 1.00 0.00 H ATOM 297 HD13 LEU A 34 -12.746 11.841 -23.323 1.00 0.00 H ATOM 298 H LEU A 34 -9.636 16.830 -24.093 1.00 0.00 H ATOM 299 N LEU A 35 -11.227 15.603 -26.715 1.00 13.70 N ATOM 300 CA LEU A 35 -11.694 15.480 -28.099 1.00 14.65 C ATOM 301 C LEU A 35 -10.644 14.773 -28.955 1.00 14.95 C ATOM 302 O LEU A 35 -10.963 13.853 -29.709 1.00 14.63 O ATOM 303 CB LEU A 35 -12.000 16.860 -28.687 1.00 14.95 C ATOM 304 CG LEU A 35 -13.169 17.046 -29.666 1.00 17.84 C ATOM 305 CD1 LEU A 35 -12.856 18.146 -30.667 1.00 18.32 C ATOM 306 CD2 LEU A 35 -13.591 15.786 -30.386 1.00 18.05 C ATOM 307 HA LEU A 35 -12.608 14.887 -28.099 1.00 0.00 H ATOM 308 HB2 LEU A 35 -12.189 17.525 -27.844 1.00 0.00 H ATOM 309 HB3 LEU A 35 -11.100 17.184 -29.209 1.00 0.00 H ATOM 310 HG LEU A 35 -14.021 17.332 -29.049 1.00 0.00 H ATOM 311 HD21 LEU A 35 -12.751 15.401 -30.964 1.00 0.00 H ATOM 312 HD22 LEU A 35 -13.904 15.039 -29.656 1.00 0.00 H ATOM 313 HD23 LEU A 35 -14.421 16.012 -31.055 1.00 0.00 H ATOM 314 HD11 LEU A 35 -12.687 19.082 -30.135 1.00 0.00 H ATOM 315 HD12 LEU A 35 -11.961 17.880 -31.230 1.00 0.00 H ATOM 316 HD13 LEU A 35 -13.696 18.262 -31.352 1.00 0.00 H ATOM 317 H LEU A 35 -11.193 16.545 -26.276 1.00 0.00 H ATOM 318 N LYS A 36 -9.390 15.194 -28.811 1.00 15.44 N ATOM 319 CA LYS A 36 -8.274 14.584 -29.539 1.00 16.10 C ATOM 320 C LYS A 36 -8.228 13.081 -29.298 1.00 16.20 C ATOM 321 O LYS A 36 -8.094 12.297 -30.247 1.00 15.96 O ATOM 322 CB LYS A 36 -6.951 15.229 -29.119 1.00 16.67 C ATOM 323 CG LYS A 36 -5.718 14.667 -29.806 1.00 18.59 C ATOM 324 CD LYS A 36 -4.474 15.384 -29.312 1.00 21.34 C ATOM 325 CE LYS A 36 -3.226 14.869 -29.987 1.00 23.26 C ATOM 326 NZ LYS A 36 -3.151 15.314 -31.409 1.00 24.81 N ATOM 327 HA LYS A 36 -8.427 14.755 -30.605 1.00 0.00 H ATOM 328 HB2 LYS A 36 -7.007 16.294 -29.343 1.00 0.00 H ATOM 329 HB3 LYS A 36 -6.833 15.090 -28.044 1.00 0.00 H ATOM 330 HG2 LYS A 36 -5.634 13.603 -29.583 1.00 0.00 H ATOM 331 HG3 LYS A 36 -5.810 14.805 -30.883 1.00 0.00 H ATOM 332 HD2 LYS A 36 -4.574 16.449 -29.520 1.00 0.00 H ATOM 333 HD3 LYS A 36 -4.382 15.232 -28.237 1.00 0.00 H ATOM 334 HE2 LYS A 36 -3.230 13.779 -29.956 1.00 0.00 H ATOM 335 HE3 LYS A 36 -2.353 15.243 -29.452 1.00 0.00 H ATOM 336 HZ1 LYS A 36 -3.978 14.956 -31.927 1.00 0.00 H ATOM 337 HZ2 LYS A 36 -3.141 16.353 -31.446 1.00 0.00 H ATOM 338 HZ3 LYS A 36 -2.281 14.942 -31.842 1.00 0.00 H ATOM 339 H LYS A 36 -9.195 15.982 -28.160 1.00 0.00 H ATOM 340 N LEU A 37 -8.350 12.676 -28.035 1.00 15.88 N ATOM 341 CA LEU A 37 -8.350 11.255 -27.697 1.00 16.40 C ATOM 342 C LEU A 37 -9.576 10.536 -28.257 1.00 16.22 C ATOM 343 O LEU A 37 -9.459 9.458 -28.822 1.00 16.28 O ATOM 344 CB LEU A 37 -8.237 11.041 -26.182 1.00 16.88 C ATOM 345 CG LEU A 37 -6.881 11.308 -25.523 1.00 19.04 C ATOM 346 CD1 LEU A 37 -6.812 10.538 -24.215 1.00 21.13 C ATOM 347 CD2 LEU A 37 -5.707 10.918 -26.425 1.00 20.56 C ATOM 348 HA LEU A 37 -7.470 10.817 -28.167 1.00 0.00 H ATOM 349 HB2 LEU A 37 -8.965 11.697 -25.705 1.00 0.00 H ATOM 350 HB3 LEU A 37 -8.498 10.002 -25.980 1.00 0.00 H ATOM 351 HG LEU A 37 -6.797 12.379 -25.341 1.00 0.00 H ATOM 352 HD21 LEU A 37 -5.766 9.854 -26.656 1.00 0.00 H ATOM 353 HD22 LEU A 37 -5.753 11.495 -27.349 1.00 0.00 H ATOM 354 HD23 LEU A 37 -4.770 11.128 -25.910 1.00 0.00 H ATOM 355 HD11 LEU A 37 -7.615 10.870 -23.557 1.00 0.00 H ATOM 356 HD12 LEU A 37 -6.922 9.472 -24.416 1.00 0.00 H ATOM 357 HD13 LEU A 37 -5.850 10.721 -23.737 1.00 0.00 H ATOM 358 H LEU A 37 -8.447 13.382 -27.278 1.00 0.00 H ATOM 359 N LEU A 38 -10.752 11.144 -28.130 1.00 15.96 N ATOM 360 CA LEU A 38 -11.978 10.520 -28.627 1.00 15.73 C ATOM 361 C LEU A 38 -11.938 10.273 -30.137 1.00 16.23 C ATOM 362 O LEU A 38 -12.446 9.259 -30.617 1.00 16.07 O ATOM 363 CB LEU A 38 -13.189 11.390 -28.271 1.00 15.67 C ATOM 364 CG LEU A 38 -13.551 11.461 -26.785 1.00 15.39 C ATOM 365 CD1 LEU A 38 -14.655 12.476 -26.568 1.00 15.23 C ATOM 366 CD2 LEU A 38 -13.991 10.105 -26.272 1.00 16.94 C ATOM 367 HA LEU A 38 -12.065 9.547 -28.143 1.00 0.00 H ATOM 368 HB2 LEU A 38 -12.983 12.404 -28.613 1.00 0.00 H ATOM 369 HB3 LEU A 38 -14.052 10.995 -28.806 1.00 0.00 H ATOM 370 HG LEU A 38 -12.664 11.769 -26.231 1.00 0.00 H ATOM 371 HD21 LEU A 38 -14.865 9.773 -26.831 1.00 0.00 H ATOM 372 HD22 LEU A 38 -13.180 9.388 -26.403 1.00 0.00 H ATOM 373 HD23 LEU A 38 -14.243 10.182 -25.214 1.00 0.00 H ATOM 374 HD11 LEU A 38 -14.316 13.457 -26.902 1.00 0.00 H ATOM 375 HD12 LEU A 38 -15.536 12.181 -27.138 1.00 0.00 H ATOM 376 HD13 LEU A 38 -14.905 12.518 -25.508 1.00 0.00 H ATOM 377 H LEU A 38 -10.801 12.076 -27.671 1.00 0.00 H ATOM 378 N LYS A 39 -11.336 11.199 -30.876 1.00 16.68 N ATOM 379 CA LYS A 39 -11.261 11.098 -32.337 1.00 17.44 C ATOM 380 C LYS A 39 -10.391 9.937 -32.803 1.00 17.54 C ATOM 381 O LYS A 39 -10.451 9.550 -33.968 1.00 17.83 O ATOM 382 CB LYS A 39 -10.740 12.398 -32.943 1.00 17.91 C ATOM 383 CG LYS A 39 -11.778 13.492 -32.998 1.00 19.80 C ATOM 384 CD LYS A 39 -11.163 14.862 -33.224 1.00 22.27 C ATOM 385 CE LYS A 39 -10.449 14.969 -34.559 1.00 23.83 C ATOM 386 NZ LYS A 39 -10.028 16.370 -34.824 1.00 25.53 N ATOM 387 HA LYS A 39 -12.277 10.911 -32.683 1.00 0.00 H ATOM 388 HB2 LYS A 39 -9.901 12.748 -32.342 1.00 0.00 H ATOM 389 HB3 LYS A 39 -10.399 12.194 -33.958 1.00 0.00 H ATOM 390 HG2 LYS A 39 -12.469 13.279 -33.814 1.00 0.00 H ATOM 391 HG3 LYS A 39 -12.324 13.504 -32.055 1.00 0.00 H ATOM 392 HD2 LYS A 39 -11.955 15.610 -33.191 1.00 0.00 H ATOM 393 HD3 LYS A 39 -10.445 15.058 -32.427 1.00 0.00 H ATOM 394 HE2 LYS A 39 -11.122 14.642 -35.351 1.00 0.00 H ATOM 395 HE3 LYS A 39 -9.568 14.328 -34.545 1.00 0.00 H ATOM 396 HZ1 LYS A 39 -10.866 16.985 -34.842 1.00 0.00 H ATOM 397 HZ2 LYS A 39 -9.382 16.685 -34.072 1.00 0.00 H ATOM 398 HZ3 LYS A 39 -9.542 16.417 -35.742 1.00 0.00 H ATOM 399 H LYS A 39 -10.905 12.020 -30.404 1.00 0.00 H ATOM 400 N SER A 40 -9.588 9.380 -31.902 1.00 17.53 N ATOM 401 CA SER A 40 -8.778 8.221 -32.258 1.00 17.64 C ATOM 402 C SER A 40 -9.541 6.897 -32.113 1.00 17.42 C ATOM 403 O SER A 40 -9.033 5.855 -32.525 1.00 17.21 O ATOM 404 CB SER A 40 -7.471 8.213 -31.457 1.00 18.16 C ATOM 405 OG SER A 40 -7.676 7.816 -30.120 1.00 20.12 O ATOM 406 HA SER A 40 -8.532 8.311 -33.316 1.00 0.00 H ATOM 407 HB2 SER A 40 -7.046 9.217 -31.466 1.00 0.00 H ATOM 408 HB3 SER A 40 -6.773 7.520 -31.928 1.00 0.00 H ATOM 409 HG SER A 40 -8.304 8.444 -29.683 1.00 0.00 H ATOM 410 H SER A 40 -9.537 9.772 -30.940 1.00 0.00 H ATOM 411 N VAL A 41 -10.751 6.934 -31.544 1.00 17.08 N ATOM 412 CA VAL A 41 -11.591 5.730 -31.394 1.00 17.58 C ATOM 413 C VAL A 41 -13.021 5.873 -31.918 1.00 17.38 C ATOM 414 O VAL A 41 -13.669 4.877 -32.218 1.00 18.27 O ATOM 415 CB VAL A 41 -11.667 5.240 -29.919 1.00 18.08 C ATOM 416 CG1 VAL A 41 -10.378 4.554 -29.525 1.00 19.20 C ATOM 417 CG2 VAL A 41 -11.958 6.383 -28.984 1.00 18.79 C ATOM 418 HA VAL A 41 -11.079 4.996 -32.016 1.00 0.00 H ATOM 419 HB VAL A 41 -12.484 4.523 -29.843 1.00 0.00 H ATOM 420 HG11 VAL A 41 -10.210 3.696 -30.177 1.00 0.00 H ATOM 421 HG12 VAL A 41 -9.549 5.255 -29.625 1.00 0.00 H ATOM 422 HG13 VAL A 41 -10.448 4.218 -28.491 1.00 0.00 H ATOM 423 HG21 VAL A 41 -11.166 7.128 -29.065 1.00 0.00 H ATOM 424 HG22 VAL A 41 -12.913 6.836 -29.252 1.00 0.00 H ATOM 425 HG23 VAL A 41 -12.005 6.011 -27.961 1.00 0.00 H ATOM 426 H VAL A 41 -11.113 7.844 -31.195 1.00 0.00 H ATOM 427 N GLY A 42 -13.528 7.097 -32.007 1.00 17.01 N ATOM 428 CA GLY A 42 -14.904 7.312 -32.461 1.00 17.22 C ATOM 429 C GLY A 42 -15.007 8.483 -33.401 1.00 17.20 C ATOM 430 O GLY A 42 -14.044 9.233 -33.576 1.00 16.87 O ATOM 431 HA3 GLY A 42 -15.537 7.499 -31.593 1.00 0.00 H ATOM 432 HA2 GLY A 42 -15.250 6.415 -32.975 1.00 0.00 H ATOM 433 H GLY A 42 -12.939 7.915 -31.751 1.00 0.00 H ATOM 434 N ALA A 43 -16.185 8.631 -34.004 1.00 17.25 N ATOM 435 CA ALA A 43 -16.468 9.751 -34.888 1.00 17.48 C ATOM 436 C ALA A 43 -16.450 11.056 -34.119 1.00 17.48 C ATOM 437 O ALA A 43 -16.970 11.138 -33.007 1.00 17.52 O ATOM 438 CB ALA A 43 -17.820 9.570 -35.557 1.00 17.75 C ATOM 439 HA ALA A 43 -15.693 9.782 -35.654 1.00 0.00 H ATOM 440 HB1 ALA A 43 -17.815 8.649 -36.140 1.00 0.00 H ATOM 441 HB2 ALA A 43 -18.597 9.514 -34.794 1.00 0.00 H ATOM 442 HB3 ALA A 43 -18.015 10.417 -36.215 1.00 0.00 H ATOM 443 H ALA A 43 -16.928 7.922 -33.837 1.00 0.00 H ATOM 444 N GLN A 44 -15.851 12.079 -34.718 1.00 17.70 N ATOM 445 CA GLN A 44 -15.882 13.409 -34.147 1.00 18.08 C ATOM 446 C GLN A 44 -17.310 13.922 -34.207 1.00 18.02 C ATOM 447 O GLN A 44 -17.951 13.855 -35.250 1.00 17.83 O ATOM 448 CB GLN A 44 -14.972 14.362 -34.923 1.00 18.42 C ATOM 449 CG GLN A 44 -15.052 15.808 -34.447 1.00 20.15 C ATOM 450 CD GLN A 44 -13.947 16.686 -34.998 1.00 22.94 C ATOM 451 OE1 GLN A 44 -13.194 16.281 -35.886 1.00 25.12 O ATOM 452 NE2 GLN A 44 -13.844 17.900 -34.470 1.00 24.24 N ATOM 453 HA GLN A 44 -15.528 13.363 -33.117 1.00 0.00 H ATOM 454 HB2 GLN A 44 -13.943 14.020 -34.815 1.00 0.00 H ATOM 455 HB3 GLN A 44 -15.256 14.329 -35.975 1.00 0.00 H ATOM 456 HG2 GLN A 44 -16.011 16.222 -34.759 1.00 0.00 H ATOM 457 HG3 GLN A 44 -14.991 15.818 -33.359 1.00 0.00 H ATOM 458 HE22 GLN A 44 -14.502 18.199 -33.722 1.00 0.00 H ATOM 459 HE21 GLN A 44 -13.106 18.552 -34.804 1.00 0.00 H ATOM 460 H GLN A 44 -15.350 11.921 -35.615 1.00 0.00 H ATOM 461 N LYS A 45 -17.820 14.415 -33.090 1.00 18.29 N ATOM 462 CA LYS A 45 -19.085 15.138 -33.133 1.00 18.78 C ATOM 463 C LYS A 45 -19.156 16.261 -32.121 1.00 18.42 C ATOM 464 O LYS A 45 -18.332 16.348 -31.211 1.00 17.77 O ATOM 465 CB LYS A 45 -20.277 14.201 -33.014 1.00 19.61 C ATOM 466 CG LYS A 45 -20.150 13.097 -32.022 1.00 21.32 C ATOM 467 CD LYS A 45 -21.130 11.993 -32.377 1.00 23.57 C ATOM 468 CE LYS A 45 -21.554 11.204 -31.164 1.00 25.28 C ATOM 469 NZ LYS A 45 -22.806 10.438 -31.439 1.00 26.04 N ATOM 470 HA LYS A 45 -19.132 15.607 -34.116 1.00 0.00 H ATOM 471 HB2 LYS A 45 -21.144 14.800 -32.736 1.00 0.00 H ATOM 472 HB3 LYS A 45 -20.446 13.751 -33.992 1.00 0.00 H ATOM 473 HG2 LYS A 45 -19.134 12.703 -32.042 1.00 0.00 H ATOM 474 HG3 LYS A 45 -20.372 13.475 -31.024 1.00 0.00 H ATOM 475 HD2 LYS A 45 -22.013 12.439 -32.834 1.00 0.00 H ATOM 476 HD3 LYS A 45 -20.657 11.317 -33.089 1.00 0.00 H ATOM 477 HE2 LYS A 45 -21.729 11.890 -30.335 1.00 0.00 H ATOM 478 HE3 LYS A 45 -20.760 10.507 -30.896 1.00 0.00 H ATOM 479 HZ1 LYS A 45 -23.567 11.100 -31.692 1.00 0.00 H ATOM 480 HZ2 LYS A 45 -22.642 9.779 -32.227 1.00 0.00 H ATOM 481 HZ3 LYS A 45 -23.077 9.903 -30.589 1.00 0.00 H ATOM 482 H LYS A 45 -17.321 14.287 -32.186 1.00 0.00 H ATOM 483 N ASP A 46 -20.147 17.129 -32.317 1.00 18.45 N ATOM 484 CA ASP A 46 -20.286 18.348 -31.527 1.00 18.86 C ATOM 485 C ASP A 46 -20.598 18.038 -30.069 1.00 18.37 C ATOM 486 O ASP A 46 -20.135 18.735 -29.177 1.00 18.83 O ATOM 487 CB ASP A 46 -21.393 19.243 -32.088 1.00 19.43 C ATOM 488 CG ASP A 46 -21.110 19.730 -33.501 1.00 22.14 C ATOM 489 OD1 ASP A 46 -19.946 19.688 -33.945 1.00 24.05 O ATOM 490 OD2 ASP A 46 -22.071 20.167 -34.165 1.00 24.76 O ATOM 491 HA ASP A 46 -19.330 18.869 -31.584 1.00 0.00 H ATOM 492 HB2 ASP A 46 -22.325 18.678 -32.096 1.00 0.00 H ATOM 493 HB3 ASP A 46 -21.501 20.111 -31.437 1.00 0.00 H ATOM 494 H ASP A 46 -20.847 16.931 -33.060 1.00 0.00 H ATOM 495 N THR A 47 -21.405 17.007 -29.848 1.00 17.88 N ATOM 496 CA THR A 47 -21.849 16.622 -28.515 1.00 17.90 C ATOM 497 C THR A 47 -21.738 15.106 -28.374 1.00 16.29 C ATOM 498 O THR A 47 -21.923 14.383 -29.349 1.00 16.31 O ATOM 499 CB THR A 47 -23.309 17.062 -28.288 1.00 18.56 C ATOM 500 OG1 THR A 47 -23.397 18.486 -28.422 1.00 21.02 O ATOM 501 CG2 THR A 47 -23.797 16.672 -26.909 1.00 20.27 C ATOM 502 HA THR A 47 -21.221 17.111 -27.770 1.00 0.00 H ATOM 503 HB THR A 47 -23.933 16.563 -29.030 1.00 0.00 H ATOM 504 HG1 THR A 47 -24.333 18.773 -28.277 1.00 0.00 H ATOM 505 HG23 THR A 47 -23.735 15.590 -26.796 1.00 0.00 H ATOM 506 HG21 THR A 47 -23.175 17.154 -26.155 1.00 0.00 H ATOM 507 HG22 THR A 47 -24.832 16.992 -26.787 1.00 0.00 H ATOM 508 H THR A 47 -21.735 16.450 -30.662 1.00 0.00 H ATOM 509 N TYR A 48 -21.410 14.648 -27.170 1.00 14.88 N ATOM 510 CA TYR A 48 -21.388 13.230 -26.832 1.00 14.06 C ATOM 511 C TYR A 48 -22.246 12.990 -25.606 1.00 13.76 C ATOM 512 O TYR A 48 -22.479 13.907 -24.824 1.00 14.21 O ATOM 513 CB TYR A 48 -19.971 12.774 -26.507 1.00 13.67 C ATOM 514 CG TYR A 48 -19.024 12.827 -27.671 1.00 13.66 C ATOM 515 CD1 TYR A 48 -18.372 14.001 -27.998 1.00 13.90 C ATOM 516 CD2 TYR A 48 -18.769 11.695 -28.439 1.00 14.66 C ATOM 517 CE1 TYR A 48 -17.491 14.062 -29.065 1.00 13.87 C ATOM 518 CE2 TYR A 48 -17.892 11.744 -29.512 1.00 14.31 C ATOM 519 CZ TYR A 48 -17.249 12.927 -29.813 1.00 13.66 C ATOM 520 OH TYR A 48 -16.380 12.988 -30.874 1.00 15.15 O ATOM 521 HA TYR A 48 -21.766 12.672 -27.689 1.00 0.00 H ATOM 522 HB3 TYR A 48 -20.016 11.745 -26.150 1.00 0.00 H ATOM 523 HB2 TYR A 48 -19.578 13.415 -25.717 1.00 0.00 H ATOM 524 HD2 TYR A 48 -19.266 10.756 -28.194 1.00 0.00 H ATOM 525 HE2 TYR A 48 -17.712 10.853 -30.114 1.00 0.00 H ATOM 526 HE1 TYR A 48 -16.992 14.999 -29.312 1.00 0.00 H ATOM 527 HD1 TYR A 48 -18.555 14.897 -27.404 1.00 0.00 H ATOM 528 HH TYR A 48 -16.862 12.759 -31.708 1.00 0.00 H ATOM 529 H TYR A 48 -21.156 15.336 -26.432 1.00 0.00 H ATOM 530 N THR A 49 -22.698 11.755 -25.426 1.00 13.37 N ATOM 531 CA THR A 49 -23.269 11.355 -24.147 1.00 13.39 C ATOM 532 C THR A 49 -22.154 10.813 -23.271 1.00 12.90 C ATOM 533 O THR A 49 -21.099 10.420 -23.771 1.00 12.14 O ATOM 534 CB THR A 49 -24.326 10.265 -24.292 1.00 13.60 C ATOM 535 OG1 THR A 49 -23.737 9.111 -24.907 1.00 14.60 O ATOM 536 CG2 THR A 49 -25.507 10.752 -25.106 1.00 14.16 C ATOM 537 HA THR A 49 -23.746 12.233 -23.711 1.00 0.00 H ATOM 538 HB THR A 49 -24.695 10.002 -23.301 1.00 0.00 H ATOM 539 HG1 THR A 49 -24.422 8.403 -25.002 1.00 0.00 H ATOM 540 HG23 THR A 49 -25.942 11.628 -24.625 1.00 0.00 H ATOM 541 HG21 THR A 49 -25.171 11.016 -26.109 1.00 0.00 H ATOM 542 HG22 THR A 49 -26.255 9.961 -25.168 1.00 0.00 H ATOM 543 H THR A 49 -22.644 11.067 -26.204 1.00 0.00 H ATOM 544 N MET A 50 -22.392 10.747 -21.965 1.00 12.92 N ATOM 545 CA MET A 50 -21.390 10.176 -21.071 1.00 13.18 C ATOM 546 C MET A 50 -21.182 8.682 -21.341 1.00 13.63 C ATOM 547 O MET A 50 -20.081 8.162 -21.158 1.00 13.35 O ATOM 548 CB MET A 50 -21.729 10.443 -19.603 1.00 13.37 C ATOM 549 CG MET A 50 -21.464 11.883 -19.183 1.00 13.15 C ATOM 550 SD MET A 50 -19.779 12.454 -19.518 1.00 14.91 S ATOM 551 CE MET A 50 -18.834 11.223 -18.628 1.00 14.27 C ATOM 552 HA MET A 50 -20.445 10.677 -21.280 1.00 0.00 H ATOM 553 HB2 MET A 50 -22.785 10.223 -19.445 1.00 0.00 H ATOM 554 HB3 MET A 50 -21.125 9.783 -18.981 1.00 0.00 H ATOM 555 HG2 MET A 50 -21.647 11.966 -18.112 1.00 0.00 H ATOM 556 HG3 MET A 50 -22.158 12.530 -19.720 1.00 0.00 H ATOM 557 HE1 MET A 50 -19.106 11.251 -17.573 1.00 0.00 H ATOM 558 HE2 MET A 50 -19.052 10.235 -19.034 1.00 0.00 H ATOM 559 HE3 MET A 50 -17.770 11.435 -18.736 1.00 0.00 H ATOM 560 H MET A 50 -23.291 11.102 -21.581 1.00 0.00 H ATOM 561 N LYS A 51 -22.231 8.004 -21.797 1.00 13.94 N ATOM 562 CA LYS A 51 -22.120 6.620 -22.238 1.00 14.46 C ATOM 563 C LYS A 51 -21.054 6.500 -23.318 1.00 13.91 C ATOM 564 O LYS A 51 -20.188 5.627 -23.257 1.00 13.49 O ATOM 565 CB LYS A 51 -23.466 6.158 -22.783 1.00 15.30 C ATOM 566 CG LYS A 51 -23.530 4.747 -23.285 1.00 18.11 C ATOM 567 CD LYS A 51 -24.997 4.370 -23.425 1.00 21.81 C ATOM 568 CE LYS A 51 -25.240 3.204 -24.325 1.00 24.19 C ATOM 569 NZ LYS A 51 -26.683 2.819 -24.248 1.00 25.36 N ATOM 570 HA LYS A 51 -21.834 5.993 -21.394 1.00 0.00 H ATOM 571 HB2 LYS A 51 -24.201 6.260 -21.984 1.00 0.00 H ATOM 572 HB3 LYS A 51 -23.734 6.817 -23.609 1.00 0.00 H ATOM 573 HG2 LYS A 51 -23.034 4.675 -24.253 1.00 0.00 H ATOM 574 HG3 LYS A 51 -23.041 4.078 -22.577 1.00 0.00 H ATOM 575 HD2 LYS A 51 -25.385 4.127 -22.436 1.00 0.00 H ATOM 576 HD3 LYS A 51 -25.536 5.230 -23.824 1.00 0.00 H ATOM 577 HE2 LYS A 51 -24.621 2.364 -24.010 1.00 0.00 H ATOM 578 HE3 LYS A 51 -24.988 3.475 -25.350 1.00 0.00 H ATOM 579 HZ1 LYS A 51 -26.920 2.561 -23.269 1.00 0.00 H ATOM 580 HZ2 LYS A 51 -27.271 3.622 -24.548 1.00 0.00 H ATOM 581 HZ3 LYS A 51 -26.858 2.007 -24.874 1.00 0.00 H ATOM 582 H LYS A 51 -23.157 8.475 -21.840 1.00 0.00 H ATOM 583 N GLU A 52 -21.119 7.394 -24.299 1.00 13.07 N ATOM 584 CA GLU A 52 -20.114 7.444 -25.359 1.00 13.10 C ATOM 585 C GLU A 52 -18.723 7.761 -24.816 1.00 12.90 C ATOM 586 O GLU A 52 -17.761 7.081 -25.151 1.00 13.02 O ATOM 587 CB GLU A 52 -20.509 8.459 -26.430 1.00 13.50 C ATOM 588 CG GLU A 52 -21.682 8.010 -27.264 1.00 14.71 C ATOM 589 CD GLU A 52 -22.197 9.083 -28.201 1.00 17.12 C ATOM 590 OE1 GLU A 52 -22.219 10.264 -27.813 1.00 16.69 O ATOM 591 OE2 GLU A 52 -22.591 8.741 -29.336 1.00 20.57 O ATOM 592 HA GLU A 52 -20.073 6.452 -25.809 1.00 0.00 H ATOM 593 HB2 GLU A 52 -20.770 9.397 -25.940 1.00 0.00 H ATOM 594 HB3 GLU A 52 -19.655 8.619 -27.089 1.00 0.00 H ATOM 595 HG2 GLU A 52 -21.375 7.150 -27.858 1.00 0.00 H ATOM 596 HG3 GLU A 52 -22.491 7.718 -26.595 1.00 0.00 H ATOM 597 H GLU A 52 -21.905 8.075 -24.313 1.00 0.00 H ATOM 598 N VAL A 53 -18.617 8.784 -23.978 1.00 12.82 N ATOM 599 CA VAL A 53 -17.315 9.177 -23.437 1.00 12.73 C ATOM 600 C VAL A 53 -16.649 8.017 -22.680 1.00 12.89 C ATOM 601 O VAL A 53 -15.468 7.727 -22.888 1.00 12.40 O ATOM 602 CB VAL A 53 -17.435 10.433 -22.543 1.00 12.94 C ATOM 603 CG1 VAL A 53 -16.125 10.718 -21.825 1.00 13.20 C ATOM 604 CG2 VAL A 53 -17.850 11.629 -23.386 1.00 13.27 C ATOM 605 HA VAL A 53 -16.673 9.431 -24.280 1.00 0.00 H ATOM 606 HB VAL A 53 -18.198 10.248 -21.787 1.00 0.00 H ATOM 607 HG11 VAL A 53 -15.863 9.866 -21.198 1.00 0.00 H ATOM 608 HG12 VAL A 53 -15.338 10.885 -22.560 1.00 0.00 H ATOM 609 HG13 VAL A 53 -16.238 11.606 -21.204 1.00 0.00 H ATOM 610 HG21 VAL A 53 -17.101 11.806 -24.157 1.00 0.00 H ATOM 611 HG22 VAL A 53 -18.813 11.426 -23.853 1.00 0.00 H ATOM 612 HG23 VAL A 53 -17.932 12.510 -22.749 1.00 0.00 H ATOM 613 H VAL A 53 -19.469 9.313 -23.702 1.00 0.00 H ATOM 614 N LEU A 54 -17.405 7.338 -21.823 1.00 12.54 N ATOM 615 CA LEU A 54 -16.847 6.220 -21.055 1.00 13.17 C ATOM 616 C LEU A 54 -16.484 5.025 -21.937 1.00 12.80 C ATOM 617 O LEU A 54 -15.459 4.378 -21.712 1.00 12.46 O ATOM 618 CB LEU A 54 -17.792 5.786 -19.923 1.00 13.85 C ATOM 619 CG LEU A 54 -17.640 6.588 -18.624 1.00 15.65 C ATOM 620 CD1 LEU A 54 -16.353 6.206 -17.891 1.00 17.35 C ATOM 621 CD2 LEU A 54 -17.669 8.083 -18.890 1.00 18.12 C ATOM 622 HA LEU A 54 -15.922 6.588 -20.611 1.00 0.00 H ATOM 623 HB2 LEU A 54 -18.818 5.897 -20.274 1.00 0.00 H ATOM 624 HB3 LEU A 54 -17.598 4.737 -19.700 1.00 0.00 H ATOM 625 HG LEU A 54 -18.489 6.339 -17.987 1.00 0.00 H ATOM 626 HD21 LEU A 54 -16.850 8.348 -19.559 1.00 0.00 H ATOM 627 HD22 LEU A 54 -18.619 8.350 -19.353 1.00 0.00 H ATOM 628 HD23 LEU A 54 -17.559 8.621 -17.948 1.00 0.00 H ATOM 629 HD11 LEU A 54 -16.377 5.144 -17.646 1.00 0.00 H ATOM 630 HD12 LEU A 54 -15.496 6.413 -18.532 1.00 0.00 H ATOM 631 HD13 LEU A 54 -16.272 6.790 -16.974 1.00 0.00 H ATOM 632 H LEU A 54 -18.403 7.602 -21.696 1.00 0.00 H ATOM 633 N PHE A 55 -17.317 4.729 -22.928 1.00 12.55 N ATOM 634 CA PHE A 55 -17.032 3.626 -23.835 1.00 12.32 C ATOM 635 C PHE A 55 -15.786 3.922 -24.656 1.00 12.17 C ATOM 636 O PHE A 55 -14.900 3.073 -24.776 1.00 11.97 O ATOM 637 CB PHE A 55 -18.202 3.340 -24.779 1.00 12.63 C ATOM 638 CG PHE A 55 -17.857 2.357 -25.852 1.00 13.95 C ATOM 639 CD1 PHE A 55 -17.824 1.005 -25.565 1.00 15.71 C ATOM 640 CD2 PHE A 55 -17.522 2.781 -27.127 1.00 14.79 C ATOM 641 CE1 PHE A 55 -17.477 0.087 -26.539 1.00 17.17 C ATOM 642 CE2 PHE A 55 -17.173 1.866 -28.114 1.00 16.31 C ATOM 643 CZ PHE A 55 -17.151 0.518 -27.815 1.00 16.85 C ATOM 644 HA PHE A 55 -16.869 2.742 -23.218 1.00 0.00 H ATOM 645 HB2 PHE A 55 -19.031 2.941 -24.195 1.00 0.00 H ATOM 646 HB3 PHE A 55 -18.507 4.275 -25.249 1.00 0.00 H ATOM 647 HD2 PHE A 55 -17.532 3.846 -27.360 1.00 0.00 H ATOM 648 HE2 PHE A 55 -16.919 2.210 -29.116 1.00 0.00 H ATOM 649 HZ PHE A 55 -16.877 -0.206 -28.582 1.00 0.00 H ATOM 650 HE1 PHE A 55 -17.460 -0.977 -26.303 1.00 0.00 H ATOM 651 HD1 PHE A 55 -18.074 0.660 -24.562 1.00 0.00 H ATOM 652 H PHE A 55 -18.182 5.291 -23.058 1.00 0.00 H ATOM 653 N TYR A 56 -15.716 5.127 -25.218 1.00 11.94 N ATOM 654 CA TYR A 56 -14.602 5.478 -26.090 1.00 12.22 C ATOM 655 C TYR A 56 -13.284 5.534 -25.316 1.00 12.47 C ATOM 656 O TYR A 56 -12.276 5.028 -25.790 1.00 12.03 O ATOM 657 CB TYR A 56 -14.879 6.779 -26.872 1.00 12.57 C ATOM 658 CG TYR A 56 -15.950 6.639 -27.954 1.00 14.43 C ATOM 659 CD1 TYR A 56 -15.944 5.559 -28.839 1.00 16.28 C ATOM 660 CD2 TYR A 56 -16.958 7.585 -28.098 1.00 16.77 C ATOM 661 CE1 TYR A 56 -16.921 5.419 -29.822 1.00 17.88 C ATOM 662 CE2 TYR A 56 -17.944 7.450 -29.083 1.00 18.16 C ATOM 663 CZ TYR A 56 -17.916 6.364 -29.940 1.00 18.59 C ATOM 664 OH TYR A 56 -18.884 6.209 -30.919 1.00 19.92 O ATOM 665 HA TYR A 56 -14.500 4.685 -26.831 1.00 0.00 H ATOM 666 HB3 TYR A 56 -13.951 7.098 -27.347 1.00 0.00 H ATOM 667 HB2 TYR A 56 -15.204 7.542 -26.164 1.00 0.00 H ATOM 668 HD2 TYR A 56 -16.981 8.448 -27.432 1.00 0.00 H ATOM 669 HE2 TYR A 56 -18.731 8.198 -29.174 1.00 0.00 H ATOM 670 HE1 TYR A 56 -16.898 4.563 -30.497 1.00 0.00 H ATOM 671 HD1 TYR A 56 -15.157 4.809 -28.759 1.00 0.00 H ATOM 672 HH TYR A 56 -18.862 6.988 -31.529 1.00 0.00 H ATOM 673 H TYR A 56 -16.464 5.825 -25.033 1.00 0.00 H ATOM 674 N LEU A 57 -13.292 6.122 -24.119 1.00 12.49 N ATOM 675 CA LEU A 57 -12.096 6.100 -23.273 1.00 12.51 C ATOM 676 C LEU A 57 -11.692 4.679 -22.888 1.00 12.35 C ATOM 677 O LEU A 57 -10.509 4.352 -22.870 1.00 13.02 O ATOM 678 CB LEU A 57 -12.278 6.950 -22.019 1.00 12.65 C ATOM 679 CG LEU A 57 -12.192 8.465 -22.234 1.00 13.57 C ATOM 680 CD1 LEU A 57 -12.692 9.174 -20.989 1.00 14.51 C ATOM 681 CD2 LEU A 57 -10.774 8.901 -22.557 1.00 15.08 C ATOM 682 HA LEU A 57 -11.291 6.530 -23.869 1.00 0.00 H ATOM 683 HB2 LEU A 57 -13.258 6.725 -21.599 1.00 0.00 H ATOM 684 HB3 LEU A 57 -11.504 6.667 -21.305 1.00 0.00 H ATOM 685 HG LEU A 57 -12.817 8.732 -23.086 1.00 0.00 H ATOM 686 HD21 LEU A 57 -10.115 8.631 -21.732 1.00 0.00 H ATOM 687 HD22 LEU A 57 -10.441 8.403 -23.467 1.00 0.00 H ATOM 688 HD23 LEU A 57 -10.752 9.981 -22.703 1.00 0.00 H ATOM 689 HD11 LEU A 57 -13.727 8.888 -20.801 1.00 0.00 H ATOM 690 HD12 LEU A 57 -12.074 8.889 -20.137 1.00 0.00 H ATOM 691 HD13 LEU A 57 -12.632 10.252 -21.138 1.00 0.00 H ATOM 692 H LEU A 57 -14.153 6.599 -23.784 1.00 0.00 H ATOM 693 N GLY A 58 -12.670 3.825 -22.591 1.00 12.23 N ATOM 694 CA GLY A 58 -12.372 2.430 -22.283 1.00 12.26 C ATOM 695 C GLY A 58 -11.764 1.715 -23.476 1.00 12.40 C ATOM 696 O GLY A 58 -10.821 0.931 -23.340 1.00 12.83 O ATOM 697 HA3 GLY A 58 -13.295 1.925 -21.999 1.00 0.00 H ATOM 698 HA2 GLY A 58 -11.669 2.393 -21.451 1.00 0.00 H ATOM 699 H GLY A 58 -13.656 4.156 -22.578 1.00 0.00 H ATOM 700 N GLN A 59 -12.317 1.984 -24.651 1.00 12.50 N ATOM 701 CA GLN A 59 -11.815 1.391 -25.880 1.00 12.71 C ATOM 702 C GLN A 59 -10.392 1.860 -26.187 1.00 12.34 C ATOM 703 O GLN A 59 -9.546 1.075 -26.629 1.00 12.16 O ATOM 704 CB GLN A 59 -12.740 1.738 -27.042 1.00 13.31 C ATOM 705 CG GLN A 59 -12.393 1.005 -28.304 1.00 15.28 C ATOM 706 CD GLN A 59 -12.498 -0.500 -28.111 1.00 18.46 C ATOM 707 OE1 GLN A 59 -11.501 -1.181 -27.901 1.00 21.18 O ATOM 708 NE2 GLN A 59 -13.714 -1.006 -28.127 1.00 19.31 N ATOM 709 HA GLN A 59 -11.791 0.310 -25.745 1.00 0.00 H ATOM 710 HB2 GLN A 59 -13.762 1.483 -26.761 1.00 0.00 H ATOM 711 HB3 GLN A 59 -12.673 2.809 -27.232 1.00 0.00 H ATOM 712 HG2 GLN A 59 -13.079 1.311 -29.094 1.00 0.00 H ATOM 713 HG3 GLN A 59 -11.373 1.257 -28.593 1.00 0.00 H ATOM 714 HE22 GLN A 59 -14.531 -0.389 -28.310 1.00 0.00 H ATOM 715 HE21 GLN A 59 -13.857 -2.022 -27.957 1.00 0.00 H ATOM 716 H GLN A 59 -13.128 2.634 -24.694 1.00 0.00 H ATOM 717 N TYR A 60 -10.133 3.138 -25.947 1.00 12.01 N ATOM 718 CA TYR A 60 -8.802 3.704 -26.111 1.00 12.36 C ATOM 719 C TYR A 60 -7.817 2.968 -25.207 1.00 12.43 C ATOM 720 O TYR A 60 -6.750 2.530 -25.635 1.00 12.47 O ATOM 721 CB TYR A 60 -8.829 5.189 -25.759 1.00 12.40 C ATOM 722 CG TYR A 60 -7.492 5.876 -25.877 1.00 12.44 C ATOM 723 CD1 TYR A 60 -7.097 6.454 -27.072 1.00 12.97 C ATOM 724 CD2 TYR A 60 -6.635 5.952 -24.790 1.00 13.14 C ATOM 725 CE1 TYR A 60 -5.879 7.088 -27.190 1.00 13.62 C ATOM 726 CE2 TYR A 60 -5.402 6.580 -24.893 1.00 13.91 C ATOM 727 CZ TYR A 60 -5.035 7.152 -26.097 1.00 14.33 C ATOM 728 OH TYR A 60 -3.827 7.783 -26.237 1.00 16.01 O ATOM 729 HA TYR A 60 -8.484 3.591 -27.148 1.00 0.00 H ATOM 730 HB3 TYR A 60 -9.177 5.291 -24.731 1.00 0.00 H ATOM 731 HB2 TYR A 60 -9.530 5.687 -26.429 1.00 0.00 H ATOM 732 HD2 TYR A 60 -6.935 5.511 -23.839 1.00 0.00 H ATOM 733 HE2 TYR A 60 -4.731 6.622 -24.035 1.00 0.00 H ATOM 734 HE1 TYR A 60 -5.583 7.536 -28.139 1.00 0.00 H ATOM 735 HD1 TYR A 60 -7.761 6.407 -27.935 1.00 0.00 H ATOM 736 HH TYR A 60 -3.741 8.127 -27.161 1.00 0.00 H ATOM 737 H TYR A 60 -10.907 3.757 -25.631 1.00 0.00 H ATOM 738 N ILE A 61 -8.204 2.809 -23.950 1.00 12.48 N ATOM 739 CA ILE A 61 -7.371 2.110 -22.983 1.00 13.24 C ATOM 740 C ILE A 61 -7.085 0.668 -23.409 1.00 13.85 C ATOM 741 O ILE A 61 -5.940 0.206 -23.336 1.00 14.30 O ATOM 742 CB ILE A 61 -8.012 2.152 -21.585 1.00 12.95 C ATOM 743 CG1 ILE A 61 -7.855 3.559 -21.001 1.00 13.44 C ATOM 744 CG2 ILE A 61 -7.387 1.099 -20.678 1.00 13.49 C ATOM 745 CD1 ILE A 61 -8.704 3.822 -19.775 1.00 13.41 C ATOM 746 HA ILE A 61 -6.413 2.629 -22.942 1.00 0.00 H ATOM 747 HB ILE A 61 -9.075 1.923 -21.663 1.00 0.00 H ATOM 748 HG12 ILE A 61 -6.809 3.702 -20.730 1.00 0.00 H ATOM 749 HG13 ILE A 61 -8.131 4.281 -21.769 1.00 0.00 H ATOM 750 HD11 ILE A 61 -9.756 3.697 -20.030 1.00 0.00 H ATOM 751 HD12 ILE A 61 -8.433 3.117 -18.989 1.00 0.00 H ATOM 752 HD13 ILE A 61 -8.532 4.840 -19.427 1.00 0.00 H ATOM 753 HG21 ILE A 61 -7.543 0.110 -21.110 1.00 0.00 H ATOM 754 HG22 ILE A 61 -6.318 1.291 -20.584 1.00 0.00 H ATOM 755 HG23 ILE A 61 -7.854 1.145 -19.694 1.00 0.00 H ATOM 756 H ILE A 61 -9.123 3.192 -23.648 1.00 0.00 H ATOM 757 N MET A 62 -8.110 -0.042 -23.873 1.00 14.67 N ATOM 758 CA MET A 62 -7.944 -1.445 -24.243 1.00 15.78 C ATOM 759 C MET A 62 -7.141 -1.625 -25.513 1.00 16.39 C ATOM 760 O MET A 62 -6.259 -2.477 -25.567 1.00 16.52 O ATOM 761 CB MET A 62 -9.297 -2.141 -24.390 1.00 16.22 C ATOM 762 CG MET A 62 -10.008 -2.338 -23.076 1.00 18.09 C ATOM 763 SD MET A 62 -9.018 -3.222 -21.849 1.00 22.33 S ATOM 764 CE MET A 62 -8.827 -4.821 -22.636 1.00 23.16 C ATOM 765 HA MET A 62 -7.385 -1.906 -23.429 1.00 0.00 H ATOM 766 HB2 MET A 62 -9.930 -1.536 -25.039 1.00 0.00 H ATOM 767 HB3 MET A 62 -9.137 -3.117 -24.848 1.00 0.00 H ATOM 768 HG2 MET A 62 -10.920 -2.906 -23.258 1.00 0.00 H ATOM 769 HG3 MET A 62 -10.266 -1.359 -22.672 1.00 0.00 H ATOM 770 HE1 MET A 62 -9.810 -5.264 -22.800 1.00 0.00 H ATOM 771 HE2 MET A 62 -8.320 -4.695 -23.593 1.00 0.00 H ATOM 772 HE3 MET A 62 -8.236 -5.473 -21.993 1.00 0.00 H ATOM 773 H MET A 62 -9.042 0.408 -23.974 1.00 0.00 H ATOM 774 N THR A 63 -7.431 -0.828 -26.531 1.00 17.05 N ATOM 775 CA THR A 63 -6.743 -0.987 -27.813 1.00 17.90 C ATOM 776 C THR A 63 -5.247 -0.742 -27.646 1.00 18.38 C ATOM 777 O THR A 63 -4.429 -1.481 -28.198 1.00 18.48 O ATOM 778 CB THR A 63 -7.313 -0.056 -28.885 1.00 18.25 C ATOM 779 OG1 THR A 63 -7.246 1.292 -28.434 1.00 20.41 O ATOM 780 CG2 THR A 63 -8.747 -0.405 -29.176 1.00 17.11 C ATOM 781 HA THR A 63 -6.905 -2.012 -28.146 1.00 0.00 H ATOM 782 HB THR A 63 -6.724 -0.174 -29.795 1.00 0.00 H ATOM 783 HG1 THR A 63 -7.774 1.387 -27.602 1.00 0.00 H ATOM 784 HG23 THR A 63 -8.805 -1.437 -29.522 1.00 0.00 H ATOM 785 HG21 THR A 63 -9.339 -0.291 -28.268 1.00 0.00 H ATOM 786 HG22 THR A 63 -9.132 0.261 -29.948 1.00 0.00 H ATOM 787 H THR A 63 -8.151 -0.086 -26.419 1.00 0.00 H ATOM 788 N LYS A 64 -4.904 0.270 -26.855 1.00 18.30 N ATOM 789 CA LYS A 64 -3.509 0.628 -26.600 1.00 18.87 C ATOM 790 C LYS A 64 -2.875 -0.151 -25.449 1.00 19.27 C ATOM 791 O LYS A 64 -1.717 0.094 -25.098 1.00 19.80 O ATOM 792 CB LYS A 64 -3.397 2.126 -26.356 1.00 18.44 C ATOM 793 CG LYS A 64 -3.804 2.943 -27.568 1.00 18.48 C ATOM 794 CD LYS A 64 -3.382 4.383 -27.450 1.00 16.96 C ATOM 795 CE LYS A 64 -1.903 4.570 -27.750 1.00 17.07 C ATOM 796 NZ LYS A 64 -1.537 5.996 -27.566 1.00 15.95 N ATOM 797 HA LYS A 64 -2.948 0.351 -27.492 1.00 0.00 H ATOM 798 HB2 LYS A 64 -4.043 2.394 -25.520 1.00 0.00 H ATOM 799 HB3 LYS A 64 -2.363 2.363 -26.105 1.00 0.00 H ATOM 800 HG2 LYS A 64 -3.339 2.512 -28.455 1.00 0.00 H ATOM 801 HG3 LYS A 64 -4.888 2.902 -27.672 1.00 0.00 H ATOM 802 HD2 LYS A 64 -3.962 4.979 -28.154 1.00 0.00 H ATOM 803 HD3 LYS A 64 -3.582 4.726 -26.435 1.00 0.00 H ATOM 804 HE2 LYS A 64 -1.700 4.272 -28.779 1.00 0.00 H ATOM 805 HE3 LYS A 64 -1.314 3.953 -27.072 1.00 0.00 H ATOM 806 HZ1 LYS A 64 -2.100 6.583 -28.214 1.00 0.00 H ATOM 807 HZ2 LYS A 64 -1.730 6.278 -26.584 1.00 0.00 H ATOM 808 HZ3 LYS A 64 -0.525 6.122 -27.772 1.00 0.00 H ATOM 809 H LYS A 64 -5.655 0.828 -26.401 1.00 0.00 H ATOM 810 N ARG A 65 -3.634 -1.082 -24.874 1.00 19.63 N ATOM 811 CA ARG A 65 -3.143 -2.021 -23.866 1.00 20.06 C ATOM 812 C ARG A 65 -2.556 -1.307 -22.644 1.00 19.28 C ATOM 813 O ARG A 65 -1.508 -1.684 -22.117 1.00 18.96 O ATOM 814 CB ARG A 65 -2.141 -3.000 -24.493 1.00 20.84 C ATOM 815 CG ARG A 65 -2.748 -3.901 -25.570 1.00 23.94 C ATOM 816 CD ARG A 65 -1.682 -4.805 -26.157 1.00 27.43 C ATOM 817 NE ARG A 65 -2.200 -5.780 -27.122 1.00 30.36 N ATOM 818 CZ ARG A 65 -2.066 -5.703 -28.448 1.00 32.96 C ATOM 819 NH1 ARG A 65 -1.423 -4.691 -29.025 1.00 33.43 N ATOM 820 NH2 ARG A 65 -2.583 -6.657 -29.216 1.00 33.58 N ATOM 821 HA ARG A 65 -3.996 -2.593 -23.500 1.00 0.00 H ATOM 822 HB2 ARG A 65 -1.333 -2.424 -24.943 1.00 0.00 H ATOM 823 HB3 ARG A 65 -1.738 -3.633 -23.702 1.00 0.00 H ATOM 824 HG2 ARG A 65 -3.535 -4.512 -25.128 1.00 0.00 H ATOM 825 HG3 ARG A 65 -3.172 -3.282 -26.361 1.00 0.00 H ATOM 826 HD2 ARG A 65 -1.204 -5.348 -25.342 1.00 0.00 H ATOM 827 HD3 ARG A 65 -0.942 -4.183 -26.660 1.00 0.00 H ATOM 828 HE ARG A 65 -2.715 -6.600 -26.742 1.00 0.00 H ATOM 829 HH12 ARG A 65 -1.333 -4.655 -30.060 1.00 0.00 H ATOM 830 HH11 ARG A 65 -1.011 -3.936 -28.441 1.00 0.00 H ATOM 831 HH22 ARG A 65 -2.483 -6.604 -30.250 1.00 0.00 H ATOM 832 HH21 ARG A 65 -3.088 -7.457 -28.783 1.00 0.00 H ATOM 833 H ARG A 65 -4.633 -1.145 -25.158 1.00 0.00 H ATOM 834 N LEU A 66 -3.255 -0.266 -22.197 1.00 18.70 N ATOM 835 CA LEU A 66 -2.839 0.510 -21.035 1.00 18.65 C ATOM 836 C LEU A 66 -3.326 -0.091 -19.721 1.00 19.28 C ATOM 837 O LEU A 66 -2.861 0.301 -18.657 1.00 18.79 O ATOM 838 CB LEU A 66 -3.368 1.937 -21.148 1.00 18.16 C ATOM 839 CG LEU A 66 -2.905 2.713 -22.379 1.00 17.56 C ATOM 840 CD1 LEU A 66 -3.448 4.124 -22.296 1.00 17.24 C ATOM 841 CD2 LEU A 66 -1.376 2.738 -22.515 1.00 17.91 C ATOM 842 HA LEU A 66 -1.749 0.500 -21.024 1.00 0.00 H ATOM 843 HB2 LEU A 66 -4.457 1.891 -21.169 1.00 0.00 H ATOM 844 HB3 LEU A 66 -3.046 2.486 -20.263 1.00 0.00 H ATOM 845 HG LEU A 66 -3.289 2.208 -23.266 1.00 0.00 H ATOM 846 HD21 LEU A 66 -0.942 3.212 -21.635 1.00 0.00 H ATOM 847 HD22 LEU A 66 -1.003 1.717 -22.600 1.00 0.00 H ATOM 848 HD23 LEU A 66 -1.101 3.302 -23.406 1.00 0.00 H ATOM 849 HD11 LEU A 66 -4.537 4.092 -22.266 1.00 0.00 H ATOM 850 HD12 LEU A 66 -3.072 4.604 -21.392 1.00 0.00 H ATOM 851 HD13 LEU A 66 -3.124 4.689 -23.170 1.00 0.00 H ATOM 852 H LEU A 66 -4.128 0.003 -22.694 1.00 0.00 H ATOM 853 N TYR A 67 -4.261 -1.033 -19.806 1.00 20.82 N ATOM 854 CA TYR A 67 -4.857 -1.658 -18.628 1.00 22.46 C ATOM 855 C TYR A 67 -4.138 -2.965 -18.313 1.00 24.97 C ATOM 856 O TYR A 67 -4.035 -3.838 -19.175 1.00 24.84 O ATOM 857 CB TYR A 67 -6.340 -1.920 -18.888 1.00 22.09 C ATOM 858 CG TYR A 67 -7.078 -2.594 -17.754 1.00 21.79 C ATOM 859 CD1 TYR A 67 -6.990 -2.114 -16.455 1.00 22.19 C ATOM 860 CD2 TYR A 67 -7.887 -3.697 -17.994 1.00 22.15 C ATOM 861 CE1 TYR A 67 -7.679 -2.725 -15.415 1.00 22.78 C ATOM 862 CE2 TYR A 67 -8.582 -4.308 -16.969 1.00 22.77 C ATOM 863 CZ TYR A 67 -8.473 -3.818 -15.685 1.00 23.72 C ATOM 864 OH TYR A 67 -9.165 -4.429 -14.669 1.00 26.13 O ATOM 865 HA TYR A 67 -4.756 -0.990 -17.772 1.00 0.00 H ATOM 866 HB3 TYR A 67 -6.422 -2.555 -19.770 1.00 0.00 H ATOM 867 HB2 TYR A 67 -6.823 -0.963 -19.085 1.00 0.00 H ATOM 868 HD2 TYR A 67 -7.975 -4.087 -19.008 1.00 0.00 H ATOM 869 HE2 TYR A 67 -9.213 -5.173 -17.174 1.00 0.00 H ATOM 870 HE1 TYR A 67 -7.592 -2.344 -14.397 1.00 0.00 H ATOM 871 HD1 TYR A 67 -6.369 -1.242 -16.247 1.00 0.00 H ATOM 872 HH TYR A 67 -8.877 -5.373 -14.596 1.00 0.00 H ATOM 873 H TYR A 67 -4.580 -1.336 -20.748 1.00 0.00 H ATOM 874 N ASP A 68 -3.659 -3.099 -17.076 1.00 28.23 N ATOM 875 CA ASP A 68 -2.816 -4.241 -16.689 1.00 31.16 C ATOM 876 C ASP A 68 -3.506 -5.338 -15.872 1.00 33.17 C ATOM 877 O ASP A 68 -2.818 -6.222 -15.342 1.00 34.13 O ATOM 878 CB ASP A 68 -1.582 -3.744 -15.921 1.00 31.54 C ATOM 879 CG ASP A 68 -0.380 -3.524 -16.822 1.00 33.50 C ATOM 880 OD1 ASP A 68 -0.563 -3.012 -17.942 1.00 34.94 O ATOM 881 OD2 ASP A 68 0.752 -3.865 -16.418 1.00 34.47 O ATOM 882 HA ASP A 68 -2.546 -4.712 -17.634 1.00 0.00 H ATOM 883 HB2 ASP A 68 -1.830 -2.801 -15.434 1.00 0.00 H ATOM 884 HB3 ASP A 68 -1.320 -4.484 -15.165 1.00 0.00 H ATOM 885 H ASP A 68 -3.888 -2.376 -16.364 1.00 0.00 H ATOM 886 N GLU A 69 -4.836 -5.309 -15.791 1.00 34.98 N ATOM 887 CA GLU A 69 -5.630 -6.272 -14.999 1.00 36.36 C ATOM 888 C GLU A 69 -4.883 -6.919 -13.820 1.00 36.69 C ATOM 889 O GLU A 69 -5.228 -6.691 -12.660 1.00 36.93 O ATOM 890 CB GLU A 69 -6.211 -7.362 -15.913 1.00 36.84 C ATOM 891 CG GLU A 69 -7.029 -8.453 -15.212 1.00 38.47 C ATOM 892 CD GLU A 69 -8.452 -8.026 -14.909 1.00 41.57 C ATOM 893 OE1 GLU A 69 -9.393 -8.654 -15.440 1.00 41.33 O ATOM 894 OE2 GLU A 69 -8.632 -7.062 -14.141 1.00 41.28 O ATOM 895 HA GLU A 69 -6.427 -5.680 -14.549 1.00 0.00 H ATOM 896 HB2 GLU A 69 -6.857 -6.876 -16.644 1.00 0.00 H ATOM 897 HB3 GLU A 69 -5.381 -7.845 -16.428 1.00 0.00 H ATOM 898 HG2 GLU A 69 -7.060 -9.332 -15.856 1.00 0.00 H ATOM 899 HG3 GLU A 69 -6.536 -8.708 -14.274 1.00 0.00 H ATOM 900 H GLU A 69 -5.344 -4.567 -16.314 1.00 0.00 H ATOM 901 N LYS A 70 -3.875 -7.732 -14.129 1.00 36.95 N ATOM 902 CA LYS A 70 -3.109 -8.459 -13.112 1.00 36.79 C ATOM 903 C LYS A 70 -2.127 -7.608 -12.291 1.00 36.37 C ATOM 904 O LYS A 70 -1.576 -8.100 -11.307 1.00 36.47 O ATOM 905 CB LYS A 70 -2.347 -9.619 -13.760 1.00 36.96 C ATOM 906 HA LYS A 70 -3.856 -8.815 -12.403 1.00 0.00 H ATOM 907 HB2 LYS A 70 -3.056 -10.300 -14.231 1.00 0.00 H ATOM 908 HB3 LYS A 70 -1.663 -9.227 -14.513 1.00 0.00 H ATOM 909 H LYS A 70 -3.621 -7.856 -15.130 1.00 0.00 H ATOM 910 N GLN A 71 -1.892 -6.355 -12.684 1.00 35.61 N ATOM 911 CA GLN A 71 -1.125 -5.426 -11.845 1.00 34.81 C ATOM 912 C GLN A 71 -2.097 -4.618 -10.988 1.00 34.16 C ATOM 913 O GLN A 71 -2.135 -3.389 -11.070 1.00 34.15 O ATOM 914 CB GLN A 71 -0.257 -4.476 -12.681 1.00 34.68 C ATOM 915 CG GLN A 71 0.713 -5.151 -13.649 1.00 34.44 C ATOM 916 CD GLN A 71 2.019 -5.605 -13.015 1.00 32.88 C ATOM 917 OE1 GLN A 71 2.166 -5.646 -11.791 1.00 32.66 O ATOM 918 NE2 GLN A 71 2.985 -5.947 -13.864 1.00 33.28 N ATOM 919 HA GLN A 71 -0.453 -6.010 -11.216 1.00 0.00 H ATOM 920 HB2 GLN A 71 -0.922 -3.837 -13.262 1.00 0.00 H ATOM 921 HB3 GLN A 71 0.326 -3.862 -11.995 1.00 0.00 H ATOM 922 HG2 GLN A 71 0.218 -6.024 -14.074 1.00 0.00 H ATOM 923 HG3 GLN A 71 0.948 -4.444 -14.445 1.00 0.00 H ATOM 924 HE22 GLN A 71 2.818 -5.897 -14.889 1.00 0.00 H ATOM 925 HE21 GLN A 71 3.907 -6.264 -13.502 1.00 0.00 H ATOM 926 H GLN A 71 -2.259 -6.030 -13.601 1.00 0.00 H ATOM 927 N GLN A 72 -2.888 -5.322 -10.180 1.00 33.35 N ATOM 928 CA GLN A 72 -3.843 -4.704 -9.252 1.00 32.59 C ATOM 929 C GLN A 72 -4.904 -3.827 -9.943 1.00 31.06 C ATOM 930 O GLN A 72 -5.283 -2.782 -9.413 1.00 30.98 O ATOM 931 CB GLN A 72 -3.096 -3.898 -8.173 1.00 33.09 C ATOM 932 CG GLN A 72 -2.287 -4.757 -7.196 1.00 34.60 C ATOM 933 CD GLN A 72 -1.361 -3.940 -6.305 1.00 37.02 C ATOM 934 OE1 GLN A 72 -1.487 -2.716 -6.198 1.00 37.86 O ATOM 935 NE2 GLN A 72 -0.422 -4.619 -5.655 1.00 36.97 N ATOM 936 HA GLN A 72 -4.389 -5.525 -8.787 1.00 0.00 H ATOM 937 HB2 GLN A 72 -2.412 -3.211 -8.671 1.00 0.00 H ATOM 938 HB3 GLN A 72 -3.829 -3.329 -7.602 1.00 0.00 H ATOM 939 HG2 GLN A 72 -2.981 -5.308 -6.562 1.00 0.00 H ATOM 940 HG3 GLN A 72 -1.684 -5.461 -7.770 1.00 0.00 H ATOM 941 HE22 GLN A 72 -0.350 -5.650 -5.773 1.00 0.00 H ATOM 942 HE21 GLN A 72 0.241 -4.120 -5.028 1.00 0.00 H ATOM 943 H GLN A 72 -2.826 -6.360 -10.208 1.00 0.00 H ATOM 944 N HIS A 73 -5.393 -4.266 -11.105 1.00 29.26 N ATOM 945 CA HIS A 73 -6.445 -3.549 -11.850 1.00 27.90 C ATOM 946 C HIS A 73 -6.071 -2.091 -12.125 1.00 25.75 C ATOM 947 O HIS A 73 -6.902 -1.191 -11.957 1.00 25.49 O ATOM 948 CB HIS A 73 -7.782 -3.568 -11.090 1.00 28.46 C ATOM 949 CG HIS A 73 -8.391 -4.925 -10.937 1.00 30.44 C ATOM 950 ND1 HIS A 73 -8.177 -5.715 -9.828 1.00 31.97 N ATOM 951 CD2 HIS A 73 -9.247 -5.611 -11.729 1.00 32.00 C ATOM 952 CE1 HIS A 73 -8.857 -6.841 -9.956 1.00 32.77 C ATOM 953 NE2 HIS A 73 -9.514 -6.803 -11.101 1.00 32.63 N ATOM 954 HA HIS A 73 -6.547 -4.075 -12.799 1.00 0.00 H ATOM 955 HB2 HIS A 73 -7.614 -3.156 -10.095 1.00 0.00 H ATOM 956 HB3 HIS A 73 -8.489 -2.936 -11.628 1.00 0.00 H ATOM 957 HD2 HIS A 73 -9.649 -5.280 -12.686 1.00 0.00 H ATOM 958 HE1 HIS A 73 -8.873 -7.661 -9.239 1.00 0.00 H ATOM 959 H HIS A 73 -5.016 -5.151 -11.502 1.00 0.00 H ATOM 960 N ILE A 74 -4.834 -1.858 -12.553 1.00 23.23 N ATOM 961 CA ILE A 74 -4.327 -0.500 -12.744 1.00 21.47 C ATOM 962 C ILE A 74 -4.191 -0.147 -14.224 1.00 19.96 C ATOM 963 O ILE A 74 -3.730 -0.956 -15.025 1.00 19.31 O ATOM 964 CB ILE A 74 -2.966 -0.308 -12.031 1.00 21.56 C ATOM 965 CG1 ILE A 74 -3.151 -0.449 -10.516 1.00 22.35 C ATOM 966 CG2 ILE A 74 -2.356 1.056 -12.372 1.00 21.22 C ATOM 967 CD1 ILE A 74 -1.870 -0.328 -9.721 1.00 23.17 C ATOM 968 HA ILE A 74 -5.058 0.175 -12.299 1.00 0.00 H ATOM 969 HB ILE A 74 -2.278 -1.078 -12.380 1.00 0.00 H ATOM 970 HG12 ILE A 74 -3.836 0.330 -10.181 1.00 0.00 H ATOM 971 HG13 ILE A 74 -3.588 -1.427 -10.314 1.00 0.00 H ATOM 972 HD11 ILE A 74 -1.175 -1.108 -10.033 1.00 0.00 H ATOM 973 HD12 ILE A 74 -1.424 0.650 -9.900 1.00 0.00 H ATOM 974 HD13 ILE A 74 -2.091 -0.440 -8.659 1.00 0.00 H ATOM 975 HG21 ILE A 74 -2.200 1.124 -13.449 1.00 0.00 H ATOM 976 HG22 ILE A 74 -3.034 1.846 -12.051 1.00 0.00 H ATOM 977 HG23 ILE A 74 -1.401 1.164 -11.858 1.00 0.00 H ATOM 978 H ILE A 74 -4.210 -2.664 -12.758 1.00 0.00 H ATOM 979 N VAL A 75 -4.629 1.061 -14.576 1.00 18.05 N ATOM 980 CA VAL A 75 -4.353 1.630 -15.882 1.00 17.34 C ATOM 981 C VAL A 75 -3.076 2.461 -15.758 1.00 16.84 C ATOM 982 O VAL A 75 -2.957 3.313 -14.872 1.00 16.94 O ATOM 983 CB VAL A 75 -5.508 2.540 -16.380 1.00 16.86 C ATOM 984 CG1 VAL A 75 -5.120 3.240 -17.675 1.00 17.25 C ATOM 985 CG2 VAL A 75 -6.794 1.735 -16.568 1.00 17.14 C ATOM 986 HA VAL A 75 -4.245 0.822 -16.605 1.00 0.00 H ATOM 987 HB VAL A 75 -5.691 3.300 -15.620 1.00 0.00 H ATOM 988 HG11 VAL A 75 -4.235 3.854 -17.504 1.00 0.00 H ATOM 989 HG12 VAL A 75 -4.904 2.494 -18.439 1.00 0.00 H ATOM 990 HG13 VAL A 75 -5.944 3.872 -18.006 1.00 0.00 H ATOM 991 HG21 VAL A 75 -6.625 0.949 -17.303 1.00 0.00 H ATOM 992 HG22 VAL A 75 -7.084 1.288 -15.617 1.00 0.00 H ATOM 993 HG23 VAL A 75 -7.587 2.396 -16.917 1.00 0.00 H ATOM 994 H VAL A 75 -5.186 1.613 -13.893 1.00 0.00 H ATOM 995 N TYR A 76 -2.116 2.200 -16.642 1.00 16.79 N ATOM 996 CA TYR A 76 -0.866 2.952 -16.665 1.00 16.92 C ATOM 997 C TYR A 76 -0.861 3.906 -17.853 1.00 17.08 C ATOM 998 O TYR A 76 -1.023 3.483 -19.001 1.00 17.40 O ATOM 999 CB TYR A 76 0.315 1.993 -16.748 1.00 17.21 C ATOM 1000 CG TYR A 76 0.507 1.214 -15.482 1.00 17.60 C ATOM 1001 CD1 TYR A 76 1.213 1.758 -14.419 1.00 18.57 C ATOM 1002 CD2 TYR A 76 -0.038 -0.060 -15.338 1.00 18.65 C ATOM 1003 CE1 TYR A 76 1.391 1.048 -13.244 1.00 18.77 C ATOM 1004 CE2 TYR A 76 0.131 -0.777 -14.172 1.00 19.41 C ATOM 1005 CZ TYR A 76 0.840 -0.216 -13.126 1.00 19.28 C ATOM 1006 OH TYR A 76 1.005 -0.925 -11.961 1.00 20.51 O ATOM 1007 HA TYR A 76 -0.778 3.534 -15.747 1.00 0.00 H ATOM 1008 HB3 TYR A 76 1.220 2.567 -16.947 1.00 0.00 H ATOM 1009 HB2 TYR A 76 0.142 1.294 -17.567 1.00 0.00 H ATOM 1010 HD2 TYR A 76 -0.606 -0.497 -16.159 1.00 0.00 H ATOM 1011 HE2 TYR A 76 -0.291 -1.777 -14.076 1.00 0.00 H ATOM 1012 HE1 TYR A 76 1.959 1.480 -12.420 1.00 0.00 H ATOM 1013 HD1 TYR A 76 1.634 2.759 -14.510 1.00 0.00 H ATOM 1014 HH TYR A 76 1.531 -0.385 -11.319 1.00 0.00 H ATOM 1015 H TYR A 76 -2.261 1.439 -17.336 1.00 0.00 H ATOM 1016 N CYS A 77 -0.676 5.192 -17.581 1.00 17.29 N ATOM 1017 CA CYS A 77 -0.810 6.214 -18.620 1.00 17.65 C ATOM 1018 C CYS A 77 0.293 7.275 -18.590 1.00 17.86 C ATOM 1019 O CYS A 77 0.164 8.324 -19.218 1.00 17.97 O ATOM 1020 CB CYS A 77 -2.196 6.860 -18.518 1.00 17.77 C ATOM 1021 SG CYS A 77 -2.678 7.366 -16.854 1.00 18.77 S ATOM 1022 HA CYS A 77 -0.699 5.712 -19.581 1.00 0.00 H ATOM 1023 HB2 CYS A 77 -2.932 6.142 -18.880 1.00 0.00 H ATOM 1024 HB3 CYS A 77 -2.206 7.743 -19.157 1.00 0.00 H ATOM 1025 HG CYS A 77 -1.772 8.291 -16.376 1.00 0.00 H ATOM 1026 H CYS A 77 -0.431 5.479 -16.612 1.00 0.00 H ATOM 1027 N SER A 78 1.393 6.983 -17.899 1.00 18.05 N ATOM 1028 CA SER A 78 2.523 7.910 -17.818 1.00 18.29 C ATOM 1029 C SER A 78 3.207 8.150 -19.165 1.00 17.63 C ATOM 1030 O SER A 78 3.831 9.194 -19.350 1.00 18.30 O ATOM 1031 CB SER A 78 3.559 7.409 -16.807 1.00 18.53 C ATOM 1032 OG SER A 78 4.094 6.170 -17.219 1.00 21.71 O ATOM 1033 HA SER A 78 2.106 8.863 -17.491 1.00 0.00 H ATOM 1034 HB2 SER A 78 3.082 7.288 -15.834 1.00 0.00 H ATOM 1035 HB3 SER A 78 4.365 8.139 -16.727 1.00 0.00 H ATOM 1036 HG SER A 78 3.365 5.504 -17.289 1.00 0.00 H ATOM 1037 H SER A 78 1.451 6.071 -17.403 1.00 0.00 H ATOM 1038 N ASN A 79 3.105 7.187 -20.085 1.00 16.48 N ATOM 1039 CA ASN A 79 3.736 7.298 -21.405 1.00 16.05 C ATOM 1040 C ASN A 79 2.719 7.590 -22.497 1.00 15.41 C ATOM 1041 O ASN A 79 2.970 7.316 -23.662 1.00 15.07 O ATOM 1042 CB ASN A 79 4.491 6.009 -21.747 1.00 16.12 C ATOM 1043 CG ASN A 79 3.567 4.810 -21.876 1.00 16.97 C ATOM 1044 OD1 ASN A 79 2.393 4.885 -21.511 1.00 19.50 O ATOM 1045 ND2 ASN A 79 4.089 3.702 -22.388 1.00 17.92 N ATOM 1046 HA ASN A 79 4.435 8.133 -21.357 1.00 0.00 H ATOM 1047 HB2 ASN A 79 5.014 6.151 -22.693 1.00 0.00 H ATOM 1048 HB3 ASN A 79 5.216 5.809 -20.958 1.00 0.00 H ATOM 1049 HD22 ASN A 79 5.086 3.685 -22.683 1.00 0.00 H ATOM 1050 HD21 ASN A 79 3.501 2.851 -22.494 1.00 0.00 H ATOM 1051 H ASN A 79 2.560 6.330 -19.858 1.00 0.00 H ATOM 1052 N ASP A 80 1.579 8.150 -22.109 1.00 14.89 N ATOM 1053 CA ASP A 80 0.456 8.321 -23.017 1.00 14.81 C ATOM 1054 C ASP A 80 -0.239 9.646 -22.769 1.00 14.96 C ATOM 1055 O ASP A 80 -0.203 10.170 -21.657 1.00 15.62 O ATOM 1056 CB ASP A 80 -0.543 7.185 -22.796 1.00 14.54 C ATOM 1057 CG ASP A 80 -1.505 7.038 -23.937 1.00 14.60 C ATOM 1058 OD1 ASP A 80 -1.187 6.264 -24.861 1.00 14.16 O ATOM 1059 OD2 ASP A 80 -2.559 7.711 -23.926 1.00 14.80 O ATOM 1060 HA ASP A 80 0.829 8.307 -24.041 1.00 0.00 H ATOM 1061 HB2 ASP A 80 0.008 6.252 -22.680 1.00 0.00 H ATOM 1062 HB3 ASP A 80 -1.108 7.387 -21.886 1.00 0.00 H ATOM 1063 H ASP A 80 1.487 8.476 -21.126 1.00 0.00 H ATOM 1064 N LEU A 81 -0.894 10.179 -23.797 1.00 15.24 N ATOM 1065 CA LEU A 81 -1.673 11.405 -23.630 1.00 15.54 C ATOM 1066 C LEU A 81 -2.792 11.283 -22.613 1.00 14.92 C ATOM 1067 O LEU A 81 -3.192 12.280 -22.039 1.00 14.39 O ATOM 1068 CB LEU A 81 -2.256 11.890 -24.949 1.00 16.55 C ATOM 1069 CG LEU A 81 -1.222 12.604 -25.791 1.00 18.31 C ATOM 1070 CD1 LEU A 81 -1.884 13.234 -27.000 1.00 20.21 C ATOM 1071 CD2 LEU A 81 -0.429 13.667 -25.016 1.00 20.86 C ATOM 1072 HA LEU A 81 -0.958 12.135 -23.252 1.00 0.00 H ATOM 1073 HB2 LEU A 81 -2.633 11.032 -25.505 1.00 0.00 H ATOM 1074 HB3 LEU A 81 -3.077 12.576 -24.741 1.00 0.00 H ATOM 1075 HG LEU A 81 -0.503 11.847 -26.105 1.00 0.00 H ATOM 1076 HD21 LEU A 81 -1.115 14.422 -24.631 1.00 0.00 H ATOM 1077 HD22 LEU A 81 0.095 13.194 -24.186 1.00 0.00 H ATOM 1078 HD23 LEU A 81 0.294 14.137 -25.683 1.00 0.00 H ATOM 1079 HD11 LEU A 81 -2.360 12.457 -27.598 1.00 0.00 H ATOM 1080 HD12 LEU A 81 -2.635 13.951 -26.669 1.00 0.00 H ATOM 1081 HD13 LEU A 81 -1.131 13.746 -27.600 1.00 0.00 H ATOM 1082 H LEU A 81 -0.852 9.719 -24.729 1.00 0.00 H ATOM 1083 N LEU A 82 -3.297 10.074 -22.384 1.00 14.53 N ATOM 1084 CA LEU A 82 -4.296 9.875 -21.330 1.00 14.90 C ATOM 1085 C LEU A 82 -3.771 10.398 -19.985 1.00 15.42 C ATOM 1086 O LEU A 82 -4.533 10.950 -19.188 1.00 15.30 O ATOM 1087 CB LEU A 82 -4.706 8.404 -21.230 1.00 15.03 C ATOM 1088 CG LEU A 82 -5.720 8.045 -20.138 1.00 15.73 C ATOM 1089 CD1 LEU A 82 -7.027 8.813 -20.320 1.00 17.36 C ATOM 1090 CD2 LEU A 82 -5.974 6.547 -20.116 1.00 17.04 C ATOM 1091 HA LEU A 82 -5.186 10.447 -21.592 1.00 0.00 H ATOM 1092 HB2 LEU A 82 -5.136 8.115 -22.189 1.00 0.00 H ATOM 1093 HB3 LEU A 82 -3.803 7.821 -21.048 1.00 0.00 H ATOM 1094 HG LEU A 82 -5.295 8.337 -19.178 1.00 0.00 H ATOM 1095 HD21 LEU A 82 -6.368 6.232 -21.082 1.00 0.00 H ATOM 1096 HD22 LEU A 82 -5.039 6.024 -19.916 1.00 0.00 H ATOM 1097 HD23 LEU A 82 -6.696 6.314 -19.334 1.00 0.00 H ATOM 1098 HD11 LEU A 82 -6.828 9.884 -20.271 1.00 0.00 H ATOM 1099 HD12 LEU A 82 -7.459 8.567 -21.290 1.00 0.00 H ATOM 1100 HD13 LEU A 82 -7.724 8.535 -19.529 1.00 0.00 H ATOM 1101 H LEU A 82 -2.981 9.265 -22.956 1.00 0.00 H ATOM 1102 N GLY A 83 -2.470 10.243 -19.745 1.00 15.97 N ATOM 1103 CA GLY A 83 -1.839 10.761 -18.532 1.00 17.09 C ATOM 1104 C GLY A 83 -1.846 12.274 -18.440 1.00 18.13 C ATOM 1105 O GLY A 83 -1.944 12.828 -17.345 1.00 18.50 O ATOM 1106 HA3 GLY A 83 -0.804 10.419 -18.509 1.00 0.00 H ATOM 1107 HA2 GLY A 83 -2.371 10.361 -17.669 1.00 0.00 H ATOM 1108 H GLY A 83 -1.885 9.738 -20.441 1.00 0.00 H ATOM 1109 N ASP A 84 -1.736 12.944 -19.587 1.00 19.27 N ATOM 1110 CA ASP A 84 -1.850 14.406 -19.645 1.00 20.44 C ATOM 1111 C ASP A 84 -3.282 14.841 -19.364 1.00 20.44 C ATOM 1112 O ASP A 84 -3.518 15.850 -18.691 1.00 21.12 O ATOM 1113 CB ASP A 84 -1.430 14.940 -21.015 1.00 21.11 C ATOM 1114 CG ASP A 84 0.030 14.662 -21.337 1.00 24.16 C ATOM 1115 OD1 ASP A 84 0.868 14.624 -20.410 1.00 26.52 O ATOM 1116 OD2 ASP A 84 0.340 14.489 -22.532 1.00 27.35 O ATOM 1117 HA ASP A 84 -1.185 14.815 -18.885 1.00 0.00 H ATOM 1118 HB2 ASP A 84 -2.050 14.469 -21.777 1.00 0.00 H ATOM 1119 HB3 ASP A 84 -1.591 16.018 -21.033 1.00 0.00 H ATOM 1120 H ASP A 84 -1.564 12.416 -20.466 1.00 0.00 H ATOM 1121 N LEU A 85 -4.236 14.075 -19.884 1.00 20.32 N ATOM 1122 CA LEU A 85 -5.655 14.366 -19.700 1.00 20.50 C ATOM 1123 C LEU A 85 -6.006 14.357 -18.217 1.00 20.45 C ATOM 1124 O LEU A 85 -6.657 15.273 -17.720 1.00 20.62 O ATOM 1125 CB LEU A 85 -6.498 13.314 -20.434 1.00 20.64 C ATOM 1126 CG LEU A 85 -7.968 13.625 -20.705 1.00 21.57 C ATOM 1127 CD1 LEU A 85 -8.099 14.816 -21.634 1.00 21.88 C ATOM 1128 CD2 LEU A 85 -8.649 12.407 -21.310 1.00 22.23 C ATOM 1129 HA LEU A 85 -5.868 15.354 -20.109 1.00 0.00 H ATOM 1130 HB2 LEU A 85 -6.023 13.135 -21.398 1.00 0.00 H ATOM 1131 HB3 LEU A 85 -6.465 12.401 -19.839 1.00 0.00 H ATOM 1132 HG LEU A 85 -8.454 13.873 -19.761 1.00 0.00 H ATOM 1133 HD21 LEU A 85 -8.157 12.145 -22.247 1.00 0.00 H ATOM 1134 HD22 LEU A 85 -8.579 11.570 -20.615 1.00 0.00 H ATOM 1135 HD23 LEU A 85 -9.697 12.636 -21.501 1.00 0.00 H ATOM 1136 HD11 LEU A 85 -7.632 15.687 -21.174 1.00 0.00 H ATOM 1137 HD12 LEU A 85 -7.604 14.594 -22.580 1.00 0.00 H ATOM 1138 HD13 LEU A 85 -9.154 15.020 -21.814 1.00 0.00 H ATOM 1139 H LEU A 85 -3.962 13.240 -20.441 1.00 0.00 H ATOM 1140 N PHE A 86 -5.530 13.329 -17.517 1.00 20.53 N ATOM 1141 CA PHE A 86 -5.924 13.046 -16.140 1.00 21.05 C ATOM 1142 C PHE A 86 -4.956 13.612 -15.106 1.00 21.86 C ATOM 1143 O PHE A 86 -5.304 13.729 -13.925 1.00 22.48 O ATOM 1144 CB PHE A 86 -6.051 11.532 -15.951 1.00 20.72 C ATOM 1145 CG PHE A 86 -7.327 10.933 -16.512 1.00 20.04 C ATOM 1146 CD1 PHE A 86 -8.248 11.689 -17.241 1.00 19.39 C ATOM 1147 CD2 PHE A 86 -7.584 9.590 -16.326 1.00 20.26 C ATOM 1148 CE1 PHE A 86 -9.410 11.112 -17.737 1.00 19.37 C ATOM 1149 CE2 PHE A 86 -8.745 9.003 -16.827 1.00 20.12 C ATOM 1150 CZ PHE A 86 -9.650 9.762 -17.537 1.00 19.62 C ATOM 1151 HA PHE A 86 -6.881 13.540 -15.975 1.00 0.00 H ATOM 1152 HB2 PHE A 86 -5.205 11.055 -16.445 1.00 0.00 H ATOM 1153 HB3 PHE A 86 -6.015 11.318 -14.883 1.00 0.00 H ATOM 1154 HD2 PHE A 86 -6.867 8.978 -15.778 1.00 0.00 H ATOM 1155 HE2 PHE A 86 -8.937 7.944 -16.657 1.00 0.00 H ATOM 1156 HZ PHE A 86 -10.552 9.302 -17.940 1.00 0.00 H ATOM 1157 HE1 PHE A 86 -10.132 11.720 -18.283 1.00 0.00 H ATOM 1158 HD1 PHE A 86 -8.052 12.746 -17.423 1.00 0.00 H ATOM 1159 H PHE A 86 -4.843 12.696 -17.974 1.00 0.00 H ATOM 1160 N GLY A 87 -3.746 13.945 -15.546 1.00 22.48 N ATOM 1161 CA GLY A 87 -2.717 14.491 -14.666 1.00 22.85 C ATOM 1162 C GLY A 87 -2.170 13.497 -13.659 1.00 23.12 C ATOM 1163 O GLY A 87 -1.681 13.898 -12.607 1.00 23.69 O ATOM 1164 HA3 GLY A 87 -3.145 15.332 -14.120 1.00 0.00 H ATOM 1165 HA2 GLY A 87 -1.890 14.843 -15.283 1.00 0.00 H ATOM 1166 H GLY A 87 -3.525 13.812 -16.553 1.00 0.00 H ATOM 1167 N VAL A 88 -2.259 12.205 -13.977 1.00 23.05 N ATOM 1168 CA VAL A 88 -1.710 11.136 -13.142 1.00 22.62 C ATOM 1169 C VAL A 88 -0.929 10.164 -14.023 1.00 22.26 C ATOM 1170 O VAL A 88 -1.201 10.069 -15.224 1.00 21.89 O ATOM 1171 CB VAL A 88 -2.817 10.354 -12.379 1.00 22.71 C ATOM 1172 CG1 VAL A 88 -3.645 11.295 -11.526 1.00 22.90 C ATOM 1173 CG2 VAL A 88 -3.716 9.584 -13.345 1.00 22.38 C ATOM 1174 HA VAL A 88 -1.060 11.598 -12.399 1.00 0.00 H ATOM 1175 HB VAL A 88 -2.325 9.633 -11.727 1.00 0.00 H ATOM 1176 HG11 VAL A 88 -2.999 11.790 -10.801 1.00 0.00 H ATOM 1177 HG12 VAL A 88 -4.116 12.042 -12.164 1.00 0.00 H ATOM 1178 HG13 VAL A 88 -4.413 10.727 -11.001 1.00 0.00 H ATOM 1179 HG21 VAL A 88 -4.194 10.284 -14.031 1.00 0.00 H ATOM 1180 HG22 VAL A 88 -3.114 8.873 -13.911 1.00 0.00 H ATOM 1181 HG23 VAL A 88 -4.479 9.048 -12.780 1.00 0.00 H ATOM 1182 H VAL A 88 -2.742 11.945 -14.861 1.00 0.00 H ATOM 1183 N PRO A 89 0.046 9.446 -13.438 1.00 21.67 N ATOM 1184 CA PRO A 89 0.813 8.445 -14.175 1.00 21.07 C ATOM 1185 C PRO A 89 0.101 7.095 -14.245 1.00 20.12 C ATOM 1186 O PRO A 89 0.422 6.269 -15.095 1.00 19.32 O ATOM 1187 CB PRO A 89 2.087 8.319 -13.343 1.00 21.33 C ATOM 1188 CG PRO A 89 1.628 8.558 -11.959 1.00 21.73 C ATOM 1189 CD PRO A 89 0.550 9.600 -12.058 1.00 22.00 C ATOM 1190 HA PRO A 89 0.975 8.735 -15.213 1.00 0.00 H ATOM 1191 HD3 PRO A 89 -0.241 9.413 -11.331 1.00 0.00 H ATOM 1192 HD2 PRO A 89 0.958 10.599 -11.901 1.00 0.00 H ATOM 1193 HG3 PRO A 89 2.451 8.921 -11.343 1.00 0.00 H ATOM 1194 HG2 PRO A 89 1.230 7.640 -11.527 1.00 0.00 H ATOM 1195 HB2 PRO A 89 2.520 7.324 -13.443 1.00 0.00 H ATOM 1196 HB3 PRO A 89 2.823 9.065 -13.643 1.00 0.00 H ATOM 1197 N SER A 90 -0.835 6.872 -13.325 1.00 19.20 N ATOM 1198 CA SER A 90 -1.622 5.651 -13.290 1.00 18.79 C ATOM 1199 C SER A 90 -2.828 5.846 -12.382 1.00 18.26 C ATOM 1200 O SER A 90 -2.876 6.794 -11.595 1.00 18.33 O ATOM 1201 CB SER A 90 -0.786 4.477 -12.772 1.00 18.83 C ATOM 1202 OG SER A 90 -0.339 4.719 -11.444 1.00 20.61 O ATOM 1203 HA SER A 90 -1.951 5.426 -14.305 1.00 0.00 H ATOM 1204 HB2 SER A 90 0.079 4.341 -13.421 1.00 0.00 H ATOM 1205 HB3 SER A 90 -1.394 3.572 -12.785 1.00 0.00 H ATOM 1206 HG SER A 90 0.198 3.948 -11.132 1.00 0.00 H ATOM 1207 H SER A 90 -1.010 7.600 -12.603 1.00 0.00 H ATOM 1208 N PHE A 91 -3.802 4.954 -12.509 1.00 17.69 N ATOM 1209 CA PHE A 91 -4.944 4.927 -11.604 1.00 17.55 C ATOM 1210 C PHE A 91 -5.551 3.533 -11.534 1.00 17.58 C ATOM 1211 O PHE A 91 -5.441 2.745 -12.467 1.00 16.79 O ATOM 1212 CB PHE A 91 -6.004 5.963 -12.013 1.00 17.58 C ATOM 1213 CG PHE A 91 -6.564 5.753 -13.389 1.00 17.48 C ATOM 1214 CD1 PHE A 91 -7.684 4.959 -13.581 1.00 16.88 C ATOM 1215 CD2 PHE A 91 -5.973 6.352 -14.491 1.00 18.06 C ATOM 1216 CE1 PHE A 91 -8.205 4.757 -14.843 1.00 17.35 C ATOM 1217 CE2 PHE A 91 -6.489 6.162 -15.761 1.00 18.07 C ATOM 1218 CZ PHE A 91 -7.612 5.363 -15.939 1.00 17.63 C ATOM 1219 HA PHE A 91 -4.584 5.191 -10.610 1.00 0.00 H ATOM 1220 HB2 PHE A 91 -6.825 5.915 -11.298 1.00 0.00 H ATOM 1221 HB3 PHE A 91 -5.549 6.953 -11.975 1.00 0.00 H ATOM 1222 HD2 PHE A 91 -5.092 6.980 -14.356 1.00 0.00 H ATOM 1223 HE2 PHE A 91 -6.016 6.638 -16.620 1.00 0.00 H ATOM 1224 HZ PHE A 91 -8.025 5.214 -16.937 1.00 0.00 H ATOM 1225 HE1 PHE A 91 -9.081 4.122 -14.977 1.00 0.00 H ATOM 1226 HD1 PHE A 91 -8.161 4.487 -12.722 1.00 0.00 H ATOM 1227 H PHE A 91 -3.749 4.254 -13.276 1.00 0.00 H ATOM 1228 N SER A 92 -6.189 3.237 -10.407 1.00 18.32 N ATOM 1229 CA SER A 92 -6.920 1.997 -10.242 1.00 19.18 C ATOM 1230 C SER A 92 -8.293 2.156 -10.879 1.00 19.53 C ATOM 1231 O SER A 92 -8.982 3.150 -10.641 1.00 19.45 O ATOM 1232 CB SER A 92 -7.057 1.652 -8.755 1.00 19.50 C ATOM 1233 OG SER A 92 -8.071 0.688 -8.548 1.00 21.15 O ATOM 1234 HA SER A 92 -6.381 1.183 -10.727 1.00 0.00 H ATOM 1235 HB2 SER A 92 -7.307 2.557 -8.201 1.00 0.00 H ATOM 1236 HB3 SER A 92 -6.109 1.255 -8.392 1.00 0.00 H ATOM 1237 HG SER A 92 -8.138 0.484 -7.582 1.00 0.00 H ATOM 1238 H SER A 92 -6.163 3.916 -9.619 1.00 0.00 H ATOM 1239 N VAL A 93 -8.702 1.174 -11.677 1.00 20.08 N ATOM 1240 CA VAL A 93 -10.014 1.226 -12.326 1.00 20.90 C ATOM 1241 C VAL A 93 -11.166 1.108 -11.319 1.00 21.63 C ATOM 1242 O VAL A 93 -12.313 1.381 -11.663 1.00 21.97 O ATOM 1243 CB VAL A 93 -10.173 0.152 -13.430 1.00 20.99 C ATOM 1244 CG1 VAL A 93 -9.083 0.311 -14.480 1.00 21.60 C ATOM 1245 CG2 VAL A 93 -10.157 -1.249 -12.840 1.00 21.47 C ATOM 1246 HA VAL A 93 -10.066 2.208 -12.797 1.00 0.00 H ATOM 1247 HB VAL A 93 -11.141 0.296 -13.910 1.00 0.00 H ATOM 1248 HG11 VAL A 93 -9.156 1.300 -14.931 1.00 0.00 H ATOM 1249 HG12 VAL A 93 -8.107 0.197 -14.009 1.00 0.00 H ATOM 1250 HG13 VAL A 93 -9.208 -0.451 -15.250 1.00 0.00 H ATOM 1251 HG21 VAL A 93 -9.210 -1.415 -12.326 1.00 0.00 H ATOM 1252 HG22 VAL A 93 -10.979 -1.353 -12.132 1.00 0.00 H ATOM 1253 HG23 VAL A 93 -10.271 -1.980 -13.640 1.00 0.00 H ATOM 1254 H VAL A 93 -8.081 0.357 -11.843 1.00 0.00 H ATOM 1255 N LYS A 94 -10.847 0.717 -10.085 1.00 22.50 N ATOM 1256 CA LYS A 94 -11.834 0.610 -9.006 1.00 23.26 C ATOM 1257 C LYS A 94 -12.170 1.964 -8.379 1.00 22.80 C ATOM 1258 O LYS A 94 -13.145 2.075 -7.635 1.00 23.11 O ATOM 1259 CB LYS A 94 -11.327 -0.333 -7.910 1.00 23.97 C ATOM 1260 CG LYS A 94 -10.866 -1.697 -8.417 1.00 26.38 C ATOM 1261 CD LYS A 94 -10.801 -2.718 -7.299 1.00 29.26 C ATOM 1262 CE LYS A 94 -10.072 -3.987 -7.732 1.00 31.13 C ATOM 1263 NZ LYS A 94 -8.598 -3.883 -7.511 1.00 31.81 N ATOM 1264 HA LYS A 94 -12.743 0.213 -9.457 1.00 0.00 H ATOM 1265 HB2 LYS A 94 -10.486 0.147 -7.409 1.00 0.00 H ATOM 1266 HB3 LYS A 94 -12.134 -0.490 -7.194 1.00 0.00 H ATOM 1267 HG2 LYS A 94 -11.566 -2.047 -9.175 1.00 0.00 H ATOM 1268 HG3 LYS A 94 -9.875 -1.593 -8.859 1.00 0.00 H ATOM 1269 HD2 LYS A 94 -10.274 -2.280 -6.451 1.00 0.00 H ATOM 1270 HD3 LYS A 94 -11.816 -2.979 -6.999 1.00 0.00 H ATOM 1271 HE2 LYS A 94 -10.259 -4.157 -8.792 1.00 0.00 H ATOM 1272 HE3 LYS A 94 -10.457 -4.829 -7.157 1.00 0.00 H ATOM 1273 HZ1 LYS A 94 -8.222 -3.085 -8.062 1.00 0.00 H ATOM 1274 HZ2 LYS A 94 -8.410 -3.727 -6.500 1.00 0.00 H ATOM 1275 HZ3 LYS A 94 -8.140 -4.765 -7.818 1.00 0.00 H ATOM 1276 H LYS A 94 -9.856 0.478 -9.879 1.00 0.00 H ATOM 1277 N GLU A 95 -11.360 2.982 -8.667 1.00 22.16 N ATOM 1278 CA GLU A 95 -11.541 4.311 -8.087 1.00 21.87 C ATOM 1279 C GLU A 95 -12.510 5.115 -8.944 1.00 20.84 C ATOM 1280 O GLU A 95 -12.107 6.056 -9.620 1.00 20.02 O ATOM 1281 CB GLU A 95 -10.203 5.046 -8.007 1.00 22.38 C ATOM 1282 CG GLU A 95 -9.179 4.429 -7.069 1.00 24.87 C ATOM 1283 CD GLU A 95 -7.840 5.152 -7.141 1.00 28.92 C ATOM 1284 OE1 GLU A 95 -7.125 5.011 -8.163 1.00 29.59 O ATOM 1285 OE2 GLU A 95 -7.501 5.873 -6.179 1.00 30.13 O ATOM 1286 HA GLU A 95 -11.944 4.201 -7.080 1.00 0.00 H ATOM 1287 HB2 GLU A 95 -9.772 5.071 -9.008 1.00 0.00 H ATOM 1288 HB3 GLU A 95 -10.397 6.065 -7.671 1.00 0.00 H ATOM 1289 HG2 GLU A 95 -9.556 4.485 -6.048 1.00 0.00 H ATOM 1290 HG3 GLU A 95 -9.032 3.385 -7.344 1.00 0.00 H ATOM 1291 H GLU A 95 -10.572 2.825 -9.327 1.00 0.00 H ATOM 1292 N HIS A 96 -13.787 4.746 -8.904 1.00 20.07 N ATOM 1293 CA HIS A 96 -14.776 5.325 -9.812 1.00 19.95 C ATOM 1294 C HIS A 96 -14.979 6.827 -9.636 1.00 19.18 C ATOM 1295 O HIS A 96 -15.083 7.541 -10.627 1.00 18.31 O ATOM 1296 CB HIS A 96 -16.116 4.587 -9.712 1.00 20.42 C ATOM 1297 CG HIS A 96 -16.155 3.314 -10.498 1.00 22.76 C ATOM 1298 ND1 HIS A 96 -17.332 2.693 -10.858 1.00 25.19 N ATOM 1299 CD2 HIS A 96 -15.158 2.559 -11.013 1.00 24.89 C ATOM 1300 CE1 HIS A 96 -17.056 1.602 -11.550 1.00 26.26 C ATOM 1301 NE2 HIS A 96 -15.743 1.498 -11.658 1.00 26.30 N ATOM 1302 HA HIS A 96 -14.363 5.192 -10.812 1.00 0.00 H ATOM 1303 HB2 HIS A 96 -16.304 4.352 -8.664 1.00 0.00 H ATOM 1304 HB3 HIS A 96 -16.902 5.246 -10.082 1.00 0.00 H ATOM 1305 HD2 HIS A 96 -14.089 2.756 -10.931 1.00 0.00 H ATOM 1306 HE1 HIS A 96 -17.787 0.906 -11.962 1.00 0.00 H ATOM 1307 H HIS A 96 -14.089 4.030 -8.212 1.00 0.00 H ATOM 1308 N ARG A 97 -15.033 7.318 -8.399 1.00 18.87 N ATOM 1309 CA ARG A 97 -15.238 8.759 -8.197 1.00 19.08 C ATOM 1310 C ARG A 97 -14.042 9.571 -8.688 1.00 18.51 C ATOM 1311 O ARG A 97 -14.219 10.618 -9.309 1.00 18.19 O ATOM 1312 CB ARG A 97 -15.539 9.096 -6.739 1.00 19.74 C ATOM 1313 CG ARG A 97 -15.801 10.592 -6.494 1.00 22.65 C ATOM 1314 CD ARG A 97 -17.081 10.811 -5.699 1.00 26.43 C ATOM 1315 NE ARG A 97 -17.189 9.870 -4.588 1.00 29.46 N ATOM 1316 CZ ARG A 97 -18.328 9.394 -4.087 1.00 31.70 C ATOM 1317 NH1 ARG A 97 -19.511 9.760 -4.578 1.00 32.91 N ATOM 1318 NH2 ARG A 97 -18.278 8.533 -3.077 1.00 32.54 N ATOM 1319 HA ARG A 97 -16.109 9.033 -8.792 1.00 0.00 H ATOM 1320 HB2 ARG A 97 -16.422 8.536 -6.431 1.00 0.00 H ATOM 1321 HB3 ARG A 97 -14.687 8.791 -6.132 1.00 0.00 H ATOM 1322 HG2 ARG A 97 -14.962 11.013 -5.939 1.00 0.00 H ATOM 1323 HG3 ARG A 97 -15.889 11.099 -7.455 1.00 0.00 H ATOM 1324 HD2 ARG A 97 -17.937 10.677 -6.361 1.00 0.00 H ATOM 1325 HD3 ARG A 97 -17.084 11.827 -5.304 1.00 0.00 H ATOM 1326 HE ARG A 97 -16.303 9.544 -4.151 1.00 0.00 H ATOM 1327 HH12 ARG A 97 -20.386 9.374 -4.169 1.00 0.00 H ATOM 1328 HH11 ARG A 97 -19.560 10.432 -5.370 1.00 0.00 H ATOM 1329 HH22 ARG A 97 -19.158 8.152 -2.674 1.00 0.00 H ATOM 1330 HH21 ARG A 97 -17.359 8.240 -2.689 1.00 0.00 H ATOM 1331 H ARG A 97 -14.931 6.685 -7.580 1.00 0.00 H ATOM 1332 N LYS A 98 -12.831 9.089 -8.424 1.00 18.23 N ATOM 1333 CA LYS A 98 -11.635 9.767 -8.926 1.00 18.04 C ATOM 1334 C LYS A 98 -11.638 9.815 -10.448 1.00 17.21 C ATOM 1335 O LYS A 98 -11.365 10.860 -11.040 1.00 17.21 O ATOM 1336 CB LYS A 98 -10.349 9.106 -8.420 1.00 18.51 C ATOM 1337 CG LYS A 98 -10.039 9.428 -6.967 1.00 20.27 C ATOM 1338 HA LYS A 98 -11.659 10.786 -8.541 1.00 0.00 H ATOM 1339 HB2 LYS A 98 -10.452 8.026 -8.521 1.00 0.00 H ATOM 1340 HB3 LYS A 98 -9.518 9.449 -9.036 1.00 0.00 H ATOM 1341 HG2 LYS A 98 -9.922 10.506 -6.852 1.00 0.00 H ATOM 1342 HG3 LYS A 98 -10.857 9.081 -6.337 1.00 0.00 H ATOM 1343 H LYS A 98 -12.733 8.223 -7.856 1.00 0.00 H ATOM 1344 N ILE A 99 -11.958 8.688 -11.076 1.00 15.93 N ATOM 1345 CA ILE A 99 -11.984 8.611 -12.535 1.00 15.24 C ATOM 1346 C ILE A 99 -13.026 9.559 -13.112 1.00 15.18 C ATOM 1347 O ILE A 99 -12.744 10.314 -14.052 1.00 14.76 O ATOM 1348 CB ILE A 99 -12.264 7.176 -13.023 1.00 15.16 C ATOM 1349 CG1 ILE A 99 -11.063 6.277 -12.731 1.00 15.20 C ATOM 1350 CG2 ILE A 99 -12.574 7.161 -14.525 1.00 15.25 C ATOM 1351 CD1 ILE A 99 -11.366 4.806 -12.876 1.00 15.28 C ATOM 1352 HA ILE A 99 -10.996 8.909 -12.888 1.00 0.00 H ATOM 1353 HB ILE A 99 -13.134 6.797 -12.487 1.00 0.00 H ATOM 1354 HG12 ILE A 99 -10.262 6.535 -13.423 1.00 0.00 H ATOM 1355 HG13 ILE A 99 -10.732 6.463 -11.709 1.00 0.00 H ATOM 1356 HD11 ILE A 99 -12.159 4.530 -12.181 1.00 0.00 H ATOM 1357 HD12 ILE A 99 -11.688 4.602 -13.897 1.00 0.00 H ATOM 1358 HD13 ILE A 99 -10.469 4.228 -12.654 1.00 0.00 H ATOM 1359 HG21 ILE A 99 -13.453 7.776 -14.720 1.00 0.00 H ATOM 1360 HG22 ILE A 99 -11.721 7.559 -15.075 1.00 0.00 H ATOM 1361 HG23 ILE A 99 -12.768 6.137 -14.844 1.00 0.00 H ATOM 1362 H ILE A 99 -12.195 7.843 -10.517 1.00 0.00 H ATOM 1363 N TYR A 100 -14.227 9.517 -12.543 1.00 15.10 N ATOM 1364 CA TYR A 100 -15.332 10.316 -13.057 1.00 15.48 C ATOM 1365 C TYR A 100 -15.031 11.803 -12.924 1.00 15.56 C ATOM 1366 O TYR A 100 -15.370 12.592 -13.809 1.00 15.75 O ATOM 1367 CB TYR A 100 -16.651 9.961 -12.353 1.00 15.69 C ATOM 1368 CG TYR A 100 -17.805 9.963 -13.315 1.00 15.21 C ATOM 1369 CD1 TYR A 100 -17.810 9.093 -14.399 1.00 15.95 C ATOM 1370 CD2 TYR A 100 -18.873 10.844 -13.174 1.00 15.34 C ATOM 1371 CE1 TYR A 100 -18.831 9.080 -15.305 1.00 16.09 C ATOM 1372 CE2 TYR A 100 -19.918 10.833 -14.087 1.00 15.36 C ATOM 1373 CZ TYR A 100 -19.882 9.949 -15.153 1.00 16.02 C ATOM 1374 OH TYR A 100 -20.883 9.907 -16.087 1.00 17.11 O ATOM 1375 HA TYR A 100 -15.447 10.084 -14.116 1.00 0.00 H ATOM 1376 HB3 TYR A 100 -16.842 10.693 -11.568 1.00 0.00 H ATOM 1377 HB2 TYR A 100 -16.561 8.969 -11.909 1.00 0.00 H ATOM 1378 HD2 TYR A 100 -18.889 11.547 -12.341 1.00 0.00 H ATOM 1379 HE2 TYR A 100 -20.760 11.514 -13.966 1.00 0.00 H ATOM 1380 HE1 TYR A 100 -18.812 8.384 -16.144 1.00 0.00 H ATOM 1381 HD1 TYR A 100 -16.976 8.403 -14.529 1.00 0.00 H ATOM 1382 HH TYR A 100 -20.957 10.789 -16.530 1.00 0.00 H ATOM 1383 H TYR A 100 -14.380 8.904 -11.717 1.00 0.00 H ATOM 1384 N THR A 101 -14.384 12.178 -11.825 1.00 15.81 N ATOM 1385 CA THR A 101 -13.945 13.553 -11.612 1.00 15.90 C ATOM 1386 C THR A 101 -12.910 13.956 -12.658 1.00 15.64 C ATOM 1387 O THR A 101 -13.027 15.019 -13.269 1.00 15.78 O ATOM 1388 CB THR A 101 -13.367 13.732 -10.199 1.00 16.35 C ATOM 1389 OG1 THR A 101 -14.385 13.423 -9.235 1.00 17.43 O ATOM 1390 CG2 THR A 101 -12.877 15.156 -9.980 1.00 16.65 C ATOM 1391 HA THR A 101 -14.815 14.202 -11.713 1.00 0.00 H ATOM 1392 HB THR A 101 -12.517 13.059 -10.083 1.00 0.00 H ATOM 1393 HG1 THR A 101 -14.682 12.487 -9.359 1.00 0.00 H ATOM 1394 HG23 THR A 101 -12.104 15.390 -10.712 1.00 0.00 H ATOM 1395 HG21 THR A 101 -13.711 15.848 -10.097 1.00 0.00 H ATOM 1396 HG22 THR A 101 -12.466 15.247 -8.975 1.00 0.00 H ATOM 1397 H THR A 101 -14.184 11.467 -11.092 1.00 0.00 H ATOM 1398 N MET A 102 -11.919 13.094 -12.883 1.00 15.17 N ATOM 1399 CA MET A 102 -10.863 13.379 -13.863 1.00 15.34 C ATOM 1400 C MET A 102 -11.436 13.569 -15.275 1.00 14.57 C ATOM 1401 O MET A 102 -11.002 14.453 -15.999 1.00 14.74 O ATOM 1402 CB MET A 102 -9.798 12.274 -13.860 1.00 15.99 C ATOM 1403 CG MET A 102 -8.939 12.256 -12.605 1.00 17.95 C ATOM 1404 SD MET A 102 -7.610 11.035 -12.615 1.00 20.91 S ATOM 1405 CE MET A 102 -8.489 9.494 -12.826 1.00 20.65 C ATOM 1406 HA MET A 102 -10.391 14.316 -13.566 1.00 0.00 H ATOM 1407 HB2 MET A 102 -10.301 11.311 -13.947 1.00 0.00 H ATOM 1408 HB3 MET A 102 -9.146 12.421 -14.721 1.00 0.00 H ATOM 1409 HG2 MET A 102 -9.586 12.046 -11.754 1.00 0.00 H ATOM 1410 HG3 MET A 102 -8.492 13.243 -12.485 1.00 0.00 H ATOM 1411 HE1 MET A 102 -9.182 9.356 -11.996 1.00 0.00 H ATOM 1412 HE2 MET A 102 -9.044 9.519 -13.764 1.00 0.00 H ATOM 1413 HE3 MET A 102 -7.776 8.670 -12.847 1.00 0.00 H ATOM 1414 H MET A 102 -11.893 12.200 -12.353 1.00 0.00 H ATOM 1415 N ILE A 103 -12.428 12.758 -15.640 1.00 13.55 N ATOM 1416 CA ILE A 103 -13.094 12.882 -16.938 1.00 13.05 C ATOM 1417 C ILE A 103 -13.866 14.193 -17.014 1.00 12.82 C ATOM 1418 O ILE A 103 -13.753 14.939 -17.982 1.00 12.82 O ATOM 1419 CB ILE A 103 -14.048 11.687 -17.209 1.00 12.86 C ATOM 1420 CG1 ILE A 103 -13.243 10.399 -17.384 1.00 12.45 C ATOM 1421 CG2 ILE A 103 -14.914 11.939 -18.450 1.00 13.01 C ATOM 1422 CD1 ILE A 103 -14.097 9.150 -17.481 1.00 13.02 C ATOM 1423 HA ILE A 103 -12.321 12.875 -17.706 1.00 0.00 H ATOM 1424 HB ILE A 103 -14.710 11.582 -16.349 1.00 0.00 H ATOM 1425 HG12 ILE A 103 -12.653 10.484 -18.297 1.00 0.00 H ATOM 1426 HG13 ILE A 103 -12.575 10.293 -16.530 1.00 0.00 H ATOM 1427 HD11 ILE A 103 -14.686 9.042 -16.570 1.00 0.00 H ATOM 1428 HD12 ILE A 103 -14.764 9.233 -18.339 1.00 0.00 H ATOM 1429 HD13 ILE A 103 -13.453 8.279 -17.604 1.00 0.00 H ATOM 1430 HG21 ILE A 103 -15.514 12.836 -18.297 1.00 0.00 H ATOM 1431 HG22 ILE A 103 -14.270 12.075 -19.319 1.00 0.00 H ATOM 1432 HG23 ILE A 103 -15.571 11.084 -18.613 1.00 0.00 H ATOM 1433 H ILE A 103 -12.739 12.014 -14.983 1.00 0.00 H ATOM 1434 N TYR A 104 -14.641 14.486 -15.976 1.00 12.78 N ATOM 1435 CA TYR A 104 -15.472 15.693 -15.985 1.00 13.22 C ATOM 1436 C TYR A 104 -14.676 16.999 -16.053 1.00 13.53 C ATOM 1437 O TYR A 104 -15.185 17.996 -16.572 1.00 13.76 O ATOM 1438 CB TYR A 104 -16.463 15.698 -14.814 1.00 13.18 C ATOM 1439 CG TYR A 104 -17.859 15.341 -15.267 1.00 13.16 C ATOM 1440 CD1 TYR A 104 -18.238 14.017 -15.460 1.00 13.51 C ATOM 1441 CD2 TYR A 104 -18.790 16.333 -15.551 1.00 14.01 C ATOM 1442 CE1 TYR A 104 -19.505 13.696 -15.899 1.00 14.05 C ATOM 1443 CE2 TYR A 104 -20.058 16.019 -15.986 1.00 14.46 C ATOM 1444 CZ TYR A 104 -20.413 14.702 -16.160 1.00 14.53 C ATOM 1445 OH TYR A 104 -21.677 14.396 -16.599 1.00 15.67 O ATOM 1446 HA TYR A 104 -16.038 15.651 -16.916 1.00 0.00 H ATOM 1447 HB3 TYR A 104 -16.479 16.692 -14.368 1.00 0.00 H ATOM 1448 HB2 TYR A 104 -16.136 14.972 -14.070 1.00 0.00 H ATOM 1449 HD2 TYR A 104 -18.511 17.379 -15.427 1.00 0.00 H ATOM 1450 HE2 TYR A 104 -20.778 16.811 -16.192 1.00 0.00 H ATOM 1451 HE1 TYR A 104 -19.788 12.653 -16.039 1.00 0.00 H ATOM 1452 HD1 TYR A 104 -17.522 13.220 -15.261 1.00 0.00 H ATOM 1453 HH TYR A 104 -21.771 13.413 -16.671 1.00 0.00 H ATOM 1454 H TYR A 104 -14.658 13.854 -15.150 1.00 0.00 H ATOM 1455 N ARG A 105 -13.439 16.999 -15.556 1.00 14.10 N ATOM 1456 CA ARG A 105 -12.567 18.175 -15.688 1.00 14.76 C ATOM 1457 C ARG A 105 -12.257 18.492 -17.148 1.00 14.22 C ATOM 1458 O ARG A 105 -11.829 19.600 -17.461 1.00 14.40 O ATOM 1459 CB ARG A 105 -11.231 17.992 -14.950 1.00 15.29 C ATOM 1460 CG ARG A 105 -11.312 17.751 -13.451 1.00 17.78 C ATOM 1461 CD ARG A 105 -12.161 18.759 -12.744 1.00 20.44 C ATOM 1462 NE ARG A 105 -12.190 18.520 -11.299 1.00 22.74 N ATOM 1463 CZ ARG A 105 -13.100 19.025 -10.467 1.00 24.13 C ATOM 1464 NH1 ARG A 105 -14.079 19.799 -10.921 1.00 24.22 N ATOM 1465 NH2 ARG A 105 -13.035 18.747 -9.171 1.00 25.77 N ATOM 1466 HA ARG A 105 -13.122 18.999 -15.240 1.00 0.00 H ATOM 1467 HB2 ARG A 105 -10.720 17.139 -15.396 1.00 0.00 H ATOM 1468 HB3 ARG A 105 -10.638 18.893 -15.109 1.00 0.00 H ATOM 1469 HG2 ARG A 105 -11.733 16.760 -13.280 1.00 0.00 H ATOM 1470 HG3 ARG A 105 -10.305 17.793 -13.037 1.00 0.00 H ATOM 1471 HD2 ARG A 105 -13.178 18.701 -13.133 1.00 0.00 H ATOM 1472 HD3 ARG A 105 -11.758 19.755 -12.930 1.00 0.00 H ATOM 1473 HE ARG A 105 -11.448 17.914 -10.894 1.00 0.00 H ATOM 1474 HH12 ARG A 105 -14.783 20.187 -10.262 1.00 0.00 H ATOM 1475 HH11 ARG A 105 -14.141 20.017 -11.936 1.00 0.00 H ATOM 1476 HH22 ARG A 105 -13.744 19.139 -8.519 1.00 0.00 H ATOM 1477 HH21 ARG A 105 -12.275 18.137 -8.808 1.00 0.00 H ATOM 1478 H ARG A 105 -13.085 16.152 -15.067 1.00 0.00 H ATOM 1479 N ASN A 106 -12.453 17.512 -18.028 1.00 13.77 N ATOM 1480 CA ASN A 106 -12.090 17.642 -19.438 1.00 13.48 C ATOM 1481 C ASN A 106 -13.294 17.808 -20.369 1.00 13.37 C ATOM 1482 O ASN A 106 -13.198 17.556 -21.570 1.00 12.45 O ATOM 1483 CB ASN A 106 -11.274 16.423 -19.850 1.00 13.79 C ATOM 1484 CG ASN A 106 -9.893 16.424 -19.245 1.00 14.15 C ATOM 1485 OD1 ASN A 106 -9.616 15.715 -18.272 1.00 16.98 O ATOM 1486 ND2 ASN A 106 -9.013 17.227 -19.815 1.00 14.94 N ATOM 1487 HA ASN A 106 -11.505 18.556 -19.539 1.00 0.00 H ATOM 1488 HB2 ASN A 106 -11.798 15.524 -19.525 1.00 0.00 H ATOM 1489 HB3 ASN A 106 -11.181 16.415 -20.936 1.00 0.00 H ATOM 1490 HD22 ASN A 106 -9.291 17.806 -20.633 1.00 0.00 H ATOM 1491 HD21 ASN A 106 -8.042 17.280 -19.446 1.00 0.00 H ATOM 1492 H ASN A 106 -12.880 16.622 -17.700 1.00 0.00 H ATOM 1493 N LEU A 107 -14.420 18.247 -19.817 1.00 13.22 N ATOM 1494 CA LEU A 107 -15.617 18.468 -20.624 1.00 13.76 C ATOM 1495 C LEU A 107 -16.533 19.502 -19.997 1.00 13.93 C ATOM 1496 O LEU A 107 -16.327 19.933 -18.859 1.00 13.89 O ATOM 1497 CB LEU A 107 -16.360 17.156 -20.853 1.00 14.38 C ATOM 1498 CG LEU A 107 -16.792 16.411 -19.590 1.00 14.87 C ATOM 1499 CD1 LEU A 107 -18.041 17.042 -18.982 1.00 16.34 C ATOM 1500 CD2 LEU A 107 -17.024 14.943 -19.891 1.00 15.62 C ATOM 1501 HA LEU A 107 -15.296 18.859 -21.590 1.00 0.00 H ATOM 1502 HB2 LEU A 107 -17.255 17.375 -21.436 1.00 0.00 H ATOM 1503 HB3 LEU A 107 -15.707 16.496 -21.425 1.00 0.00 H ATOM 1504 HG LEU A 107 -15.987 16.489 -18.859 1.00 0.00 H ATOM 1505 HD21 LEU A 107 -17.806 14.847 -20.644 1.00 0.00 H ATOM 1506 HD22 LEU A 107 -16.101 14.500 -20.265 1.00 0.00 H ATOM 1507 HD23 LEU A 107 -17.331 14.431 -18.979 1.00 0.00 H ATOM 1508 HD11 LEU A 107 -17.832 18.080 -18.722 1.00 0.00 H ATOM 1509 HD12 LEU A 107 -18.855 17.004 -19.706 1.00 0.00 H ATOM 1510 HD13 LEU A 107 -18.325 16.491 -18.085 1.00 0.00 H ATOM 1511 H LEU A 107 -14.449 18.436 -18.795 1.00 0.00 H ATOM 1512 N VAL A 108 -17.534 19.900 -20.772 1.00 13.91 N ATOM 1513 CA VAL A 108 -18.525 20.876 -20.347 1.00 14.60 C ATOM 1514 C VAL A 108 -19.896 20.277 -20.587 1.00 14.41 C ATOM 1515 O VAL A 108 -20.190 19.792 -21.678 1.00 14.00 O ATOM 1516 CB VAL A 108 -18.387 22.183 -21.138 1.00 15.05 C ATOM 1517 CG1 VAL A 108 -19.458 23.182 -20.716 1.00 15.60 C ATOM 1518 CG2 VAL A 108 -16.980 22.769 -20.945 1.00 15.72 C ATOM 1519 HA VAL A 108 -18.379 21.110 -19.292 1.00 0.00 H ATOM 1520 HB VAL A 108 -18.529 21.970 -22.197 1.00 0.00 H ATOM 1521 HG11 VAL A 108 -20.444 22.757 -20.905 1.00 0.00 H ATOM 1522 HG12 VAL A 108 -19.352 23.399 -19.653 1.00 0.00 H ATOM 1523 HG13 VAL A 108 -19.341 24.102 -21.289 1.00 0.00 H ATOM 1524 HG21 VAL A 108 -16.814 22.971 -19.887 1.00 0.00 H ATOM 1525 HG22 VAL A 108 -16.238 22.054 -21.301 1.00 0.00 H ATOM 1526 HG23 VAL A 108 -16.893 23.697 -21.511 1.00 0.00 H ATOM 1527 H VAL A 108 -17.613 19.496 -21.727 1.00 0.00 H ATOM 1528 N VAL A 109 -20.743 20.301 -19.565 1.00 14.39 N ATOM 1529 CA VAL A 109 -22.104 19.797 -19.720 1.00 14.74 C ATOM 1530 C VAL A 109 -22.918 20.761 -20.578 1.00 15.18 C ATOM 1531 O VAL A 109 -22.847 21.971 -20.398 1.00 14.88 O ATOM 1532 CB VAL A 109 -22.787 19.631 -18.361 1.00 14.70 C ATOM 1533 CG1 VAL A 109 -24.252 19.260 -18.547 1.00 16.14 C ATOM 1534 CG2 VAL A 109 -22.062 18.579 -17.533 1.00 15.49 C ATOM 1535 HA VAL A 109 -22.051 18.822 -20.205 1.00 0.00 H ATOM 1536 HB VAL A 109 -22.742 20.579 -17.825 1.00 0.00 H ATOM 1537 HG11 VAL A 109 -24.757 20.048 -19.106 1.00 0.00 H ATOM 1538 HG12 VAL A 109 -24.321 18.322 -19.097 1.00 0.00 H ATOM 1539 HG13 VAL A 109 -24.723 19.146 -17.571 1.00 0.00 H ATOM 1540 HG21 VAL A 109 -22.081 17.626 -18.061 1.00 0.00 H ATOM 1541 HG22 VAL A 109 -21.029 18.889 -17.378 1.00 0.00 H ATOM 1542 HG23 VAL A 109 -22.559 18.471 -16.569 1.00 0.00 H ATOM 1543 H VAL A 109 -20.435 20.682 -18.648 1.00 0.00 H ATOM 1544 N VAL A 110 -23.688 20.224 -21.516 1.00 16.23 N ATOM 1545 CA VAL A 110 -24.473 21.057 -22.426 1.00 17.64 C ATOM 1546 C VAL A 110 -25.676 21.639 -21.690 1.00 18.44 C ATOM 1547 O VAL A 110 -26.354 20.926 -20.953 1.00 19.98 O ATOM 1548 CB VAL A 110 -24.950 20.255 -23.653 1.00 17.95 C ATOM 1549 CG1 VAL A 110 -25.838 21.114 -24.551 1.00 18.85 C ATOM 1550 CG2 VAL A 110 -23.753 19.726 -24.436 1.00 18.26 C ATOM 1551 HA VAL A 110 -23.833 21.866 -22.778 1.00 0.00 H ATOM 1552 HB VAL A 110 -25.540 19.409 -23.302 1.00 0.00 H ATOM 1553 HG11 VAL A 110 -26.710 21.446 -23.987 1.00 0.00 H ATOM 1554 HG12 VAL A 110 -25.274 21.981 -24.895 1.00 0.00 H ATOM 1555 HG13 VAL A 110 -26.162 20.526 -25.410 1.00 0.00 H ATOM 1556 HG21 VAL A 110 -23.142 20.563 -24.773 1.00 0.00 H ATOM 1557 HG22 VAL A 110 -23.159 19.076 -23.794 1.00 0.00 H ATOM 1558 HG23 VAL A 110 -24.106 19.162 -25.299 1.00 0.00 H ATOM 1559 H VAL A 110 -23.734 19.189 -21.606 1.00 0.00 H TER 1560 VAL A 110 HETATM 1561 O HOH 1 -9.552 17.987 -22.477 1.00 18.25 O HETATM 1562 O HOH 2 -28.739 13.078 -17.587 1.00 23.69 O HETATM 1563 O HOH 3 -15.940 22.175 -24.158 1.00 26.45 O HETATM 1564 O HOH 4 -31.251 6.674 -13.526 1.00 19.79 O HETATM 1565 O HOH 5 -12.490 6.938 -6.212 1.00 20.71 O HETATM 1566 O HOH 6 -12.489 10.513 -35.609 1.00 19.16 O HETATM 1567 O HOH 7 -6.990 12.382 -32.628 1.00 27.39 O HETATM 1568 O HOH 8 0.000 8.946 -26.655 1.00 3.04 O HETATM 1569 O HOH 9 -23.947 14.913 -14.266 1.00 19.05 O HETATM 1570 O HOH 10 -19.570 3.952 -10.113 1.00 35.74 O HETATM 1571 O HOH 11 -19.813 21.100 -16.957 1.00 30.17 O HETATM 1572 O HOH 12 1.825 11.794 -20.069 1.00 38.07 O HETATM 1573 O HOH 13 -18.283 6.902 -33.520 1.00 22.95 O HETATM 1574 O HOH 14 -15.830 18.664 -32.511 1.00 31.67 O HETATM 1575 O HOH 15 -5.035 -3.544 -21.672 1.00 35.39 O HETATM 1576 O HOH 16 -29.057 12.079 -24.262 1.00 34.85 O HETATM 1577 O HOH 17 -12.950 21.247 -27.417 1.00 29.84 O HETATM 1578 O HOH 18 -9.936 23.661 -17.995 1.00 42.45 O HETATM 1579 O HOH 19 -26.357 18.187 -20.605 1.00 30.92 O HETATM 1580 O HOH 20 -16.250 20.084 -28.042 1.00 37.18 O HETATM 1581 O HOH 21 -18.217 13.027 -7.418 1.00 42.19 O HETATM 1582 O HOH 22 0.990 0.256 -9.498 1.00 38.00 O HETATM 1583 O HOH 23 -24.679 13.417 -29.761 1.00 40.08 O HETATM 1584 O HOH 24 -20.179 3.223 -21.833 1.00 25.15 O HETATM 1585 O HOH 25 3.740 11.055 -22.830 1.00 54.32 O HETATM 1586 O HOH 26 -17.810 18.162 -34.638 1.00 36.33 O HETATM 1587 O HOH 27 -2.825 9.800 -27.923 1.00 25.70 O HETATM 1588 O HOH 28 -16.609 18.162 -30.025 1.00 28.08 O HETATM 1589 O HOH 29 -8.777 18.806 -30.220 1.00 28.94 O HETATM 1590 O HOH 30 -13.594 15.546 -38.469 1.00 33.46 O HETATM 1591 O HOH 31 -17.468 13.169 -37.820 1.00 15.82 O HETATM 1592 O HOH 32 -8.018 20.237 -23.186 1.00 19.16 O HETATM 1593 O HOH 33 -15.239 23.269 -17.145 1.00 44.72 O HETATM 1594 O HOH 34 -17.237 19.671 -15.841 1.00 25.00 O HETATM 1595 O HOH 35 1.042 -0.086 -24.238 1.00 31.45 O HETATM 1596 O HOH 36 -1.902 -2.326 -28.372 1.00 37.12 O HETATM 1597 O HOH 37 -0.215 -1.364 -19.511 1.00 40.75 O HETATM 1598 O HOH 38 -5.102 -6.454 -18.670 1.00 39.91 O HETATM 1599 O HOH 39 -1.761 17.240 -17.195 1.00 47.94 O HETATM 1600 O HOH 40 -9.460 15.974 -37.601 1.00 45.97 O HETATM 1601 O HOH 41 -8.578 17.331 -32.455 1.00 57.27 O HETATM 1602 O HOH 42 -24.759 6.583 -29.237 1.00 24.87 O HETATM 1603 O HOH 43 -15.053 0.414 -23.066 1.00 28.05 O HETATM 1604 O HOH 44 -25.164 11.019 -28.835 1.00 38.25 O HETATM 1605 O HOH 45 -14.544 -2.512 -26.486 1.00 25.28 O HETATM 1606 O HOH 46 0.298 1.589 -25.793 1.00 15.90 O HETATM 1607 O HOH 47 3.153 4.004 -18.308 1.00 42.67 O HETATM 1608 O HOH 48 -16.910 0.268 -21.385 1.00 36.70 O HETATM 1609 O HOH 49 0.751 12.711 -16.110 1.00 59.14 O HETATM 1610 O HOH 50 -20.692 7.474 -1.836 1.00 46.03 O HETATM 1611 O HOH 51 -14.751 20.922 -13.304 1.00 38.43 O HETATM 1612 O HOH 52 2.392 1.410 -22.586 1.00 35.67 O HETATM 1613 O HOH 53 -22.071 2.637 -11.123 1.00 40.91 O HETATM 1614 O HOH 54 -16.068 -2.092 -19.622 1.00 41.33 O HETATM 1615 O HOH 55 -24.628 3.930 -14.891 1.00 34.12 O HETATM 1616 O HOH 56 -7.301 17.448 -16.199 1.00 53.05 O HETATM 1617 O HOH 57 -20.901 24.751 -24.285 1.00 49.89 O HETATM 1618 O HOH 58 -27.075 1.289 -21.942 1.00 42.28 O HETATM 1619 O HOH 59 2.597 5.101 -14.648 1.00 42.32 O HETATM 1620 O HOH 60 -25.493 7.027 -25.727 1.00 43.16 O HETATM 1621 O HOH 61 -27.432 22.767 -27.548 1.00 71.92 O HETATM 1622 O HOH 62 -28.973 4.779 -19.528 1.00 30.26 O HETATM 1623 O HOH 63 -23.674 16.807 -31.414 1.00 39.44 O HETATM 1624 O HOH 64 -19.186 8.977 -32.212 1.00 31.09 O HETATM 1625 O HOH 65 -4.834 17.225 -33.074 1.00 50.37 O HETATM 1626 O HOH 66 -29.075 9.325 -25.440 1.00 32.81 O HETATM 1627 O HOH 67 -4.059 7.887 -9.436 1.00 46.89 O HETATM 1628 O HOH 68 -26.422 0.316 -17.023 1.00 59.69 O HETATM 1629 O HOH 69 -11.726 21.951 -15.282 1.00 46.11 O HETATM 1630 O HOH 70 -22.140 0.830 -9.134 1.00 52.56 O HETATM 1631 O HOH 71 -25.466 2.501 -10.520 1.00 36.47 O HETATM 1632 O HOH 72 -9.750 18.805 -39.212 1.00 58.41 O HETATM 1633 O HOH 73 -22.120 24.630 -21.905 1.00 41.87 O HETATM 1634 O HOH 74 -15.376 5.229 -5.785 1.00 36.00 O HETATM 1635 O HOH 75 -1.843 -11.236 -11.032 1.00 58.09 O HETATM 1636 O HOH 76 -6.887 12.729 -9.273 1.00 46.58 O HETATM 1637 O HOH 77 -5.199 19.342 -27.474 1.00 44.94 O HETATM 1638 O HOH 78 5.331 -6.188 -13.044 1.00 29.91 O HETATM 1639 O HOH 79 -0.420 18.031 -15.017 1.00 57.41 O HETATM 1640 O HOH 80 1.231 2.599 -20.191 1.00 34.00 O HETATM 1641 O HOH 81 3.301 0.775 -9.956 1.00 44.83 O HETATM 1642 O HOH 82 2.686 8.019 -8.482 1.00 64.94 O HETATM 1643 O HOH 83 -1.225 -7.609 -24.409 1.00 58.04 O HETATM 1644 O HOH 84 -17.934 2.277 -7.387 1.00 44.41 O HETATM 1645 O HOH 85 -24.482 20.609 -33.590 1.00 45.06 O HETATM 1646 O HOH 86 -17.674 -1.981 -17.475 1.00 49.92 O HETATM 1647 O HOH 87 -30.887 1.061 -17.095 1.00 32.27 O HETATM 1648 O HOH 88 -3.040 -8.408 -16.942 1.00 53.94 O HETATM 1649 O HOH 89 -0.204 -12.963 -12.446 1.00 48.21 O HETATM 1650 O HOH 90 -21.144 3.695 -2.926 1.00 53.09 O HETATM 1651 O HOH 91 -23.962 24.872 -23.852 1.00 59.09 O HETATM 1652 O HOH 92 -9.942 17.443 -9.873 1.00 44.86 O HETATM 1653 O HOH 93 -7.597 3.522 -31.826 1.00 46.34 O HETATM 1654 O HOH 94 -20.802 26.133 -26.961 1.00 59.66 O HETATM 1655 O HOH 95 -8.094 15.751 -12.691 1.00 38.64 O HETATM 1656 O HOH 96 -27.082 14.551 -31.024 1.00 52.73 O HETATM 1657 O HOH 97 -5.093 -0.725 -7.044 1.00 50.64 O HETATM 1658 O HOH 98 -8.282 8.565 -4.432 1.00 50.95 O HETATM 1659 O HOH 99 -23.163 1.186 -20.469 1.00 36.62 O HETATM 1660 O HOH 100 -21.269 5.487 -18.438 1.00 26.34 O HETATM 1661 O HOH 101 -13.935 11.684 -36.861 1.00 20.95 O HETATM 1662 O HOH 102 -19.240 -0.823 -9.077 1.00 61.78 O HETATM 1663 O HOH 103 -6.609 9.616 -8.852 1.00 36.22 O HETATM 1664 C1 MI A 6 -13.604 3.660 -18.550 1.00 0.09 C HETATM 1665 C2 MI A 6 -12.840 4.796 -18.789 1.00 0.00 C HETATM 1666 C3 MI A 6 -11.793 5.140 -17.950 1.00 0.06 C HETATM 1667 CL4 MI A 6 -10.882 6.569 -18.307 1.00 -0.05 CL HETATM 1668 C5 MI A 6 -11.515 4.330 -16.851 1.00 -0.03 C HETATM 1669 C6 MI A 6 -12.272 3.177 -16.599 1.00 -0.05 C HETATM 1670 C7 MI A 6 -13.336 2.834 -17.439 1.00 -0.02 C HETATM 1671 C8 MI A 6 -14.384 1.707 -17.550 1.00 0.09 C HETATM 1672 C9 MI A 6 -15.148 2.116 -18.751 1.00 0.22 C HETATM 1673 O10 MI A 6 -16.107 1.480 -19.178 1.00 -0.32 O HETATM 1674 N11 MI A 6 -14.636 3.217 -19.273 1.00 -0.22 N HETATM 1675 H MI A 6 -14.984 3.670 -20.118 1.00 0.24 H HETATM 1676 C12 MI A 6 -13.827 0.296 -17.878 1.00 -0.04 C HETATM 1677 C13 MI A 6 -12.635 0.332 -18.885 1.00 -0.02 C HETATM 1678 C14 MI A 6 -11.451 -0.627 -18.740 1.00 -0.03 C HETATM 1679 C15 MI A 6 -10.850 -0.777 -20.134 1.00 -0.06 C HETATM 1680 H MI A 6 -11.602 -1.182 -20.811 1.00 0.02 H HETATM 1681 H MI A 6 -10.523 0.198 -20.494 1.00 0.02 H HETATM 1682 H MI A 6 -9.997 -1.454 -20.090 1.00 0.02 H HETATM 1683 C16 MI A 6 -10.410 0.006 -17.827 1.00 -0.06 C HETATM 1684 H MI A 6 -10.071 0.947 -18.262 1.00 0.02 H HETATM 1685 H MI A 6 -10.853 0.195 -16.849 1.00 0.02 H HETATM 1686 H MI A 6 -9.563 -0.672 -17.719 1.00 0.02 H HETATM 1687 C17 MI A 6 -11.842 -2.014 -18.217 1.00 -0.06 C HETATM 1688 H MI A 6 -12.302 -1.914 -17.234 1.00 0.02 H HETATM 1689 H MI A 6 -12.551 -2.474 -18.906 1.00 0.02 H HETATM 1690 H MI A 6 -10.951 -2.637 -18.141 1.00 0.02 H HETATM 1691 H MI A 6 -12.195 1.319 -18.739 1.00 0.03 H HETATM 1692 H MI A 6 -13.085 0.053 -19.838 1.00 0.03 H HETATM 1693 N18 MI A 6 -13.652 -0.358 -16.562 1.00 0.24 N HETATM 1694 C19 MI A 6 -14.940 -0.054 -15.889 1.00 0.07 C HETATM 1695 C20 MI A 6 -14.850 -0.378 -14.392 1.00 0.22 C HETATM 1696 O21 MI A 6 -15.327 0.340 -13.526 1.00 -0.39 O HETATM 1697 N22 MI A 6 -14.302 -1.566 -14.146 1.00 -0.30 N HETATM 1698 H MI A 6 -14.264 -1.922 -13.191 1.00 0.18 H HETATM 1699 H MI A 6 -13.920 -2.120 -14.912 1.00 0.18 H HETATM 1700 C31 MI A 6 -15.410 1.342 -16.437 1.00 0.04 C HETATM 1701 C32 MI A 6 -16.080 2.563 -15.690 1.00 -0.01 C HETATM 1702 C33 MI A 6 -15.588 3.578 -14.832 1.00 0.15 C HETATM 1703 F34 MI A 6 -14.326 3.640 -14.365 1.00 -0.19 F HETATM 1704 C35 MI A 6 -16.473 4.577 -14.387 1.00 0.07 C HETATM 1705 CL36 MI A 6 -15.974 5.831 -13.314 1.00 -0.07 CL HETATM 1706 C37 MI A 6 -17.799 4.620 -14.790 1.00 -0.06 C HETATM 1707 C38 MI A 6 -18.282 3.655 -15.651 1.00 -0.07 C HETATM 1708 C39 MI A 6 -17.416 2.671 -16.092 1.00 -0.06 C HETATM 1709 H MI A 6 -17.798 1.933 -16.797 1.00 0.05 H HETATM 1710 H MI A 6 -19.322 3.668 -15.976 1.00 0.06 H HETATM 1711 H MI A 6 -18.456 5.411 -14.429 1.00 0.06 H HETATM 1712 H MI A 6 -16.454 1.110 -16.645 1.00 0.04 H HETATM 1713 H MI A 6 -15.790 -0.694 -16.125 1.00 0.11 H HETATM 1714 H MI A 6 -12.839 -0.018 -16.048 1.00 0.20 H HETATM 1715 H MI A 6 -13.460 -1.357 -16.631 1.00 0.20 H HETATM 1716 H MI A 6 -14.498 -0.333 -18.462 1.00 0.07 H HETATM 1717 H MI A 6 -12.030 2.545 -15.744 1.00 0.08 H HETATM 1718 H MI A 6 -10.699 4.596 -16.179 1.00 0.06 H HETATM 1719 H MI A 6 -13.068 5.425 -19.649 1.00 0.06 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1664 1665 1670 1674 CONECT 1665 1664 1666 1719 CONECT 1666 1665 1667 1668 CONECT 1667 1666 CONECT 1668 1666 1669 1718 CONECT 1669 1668 1670 1717 CONECT 1670 1664 1669 1671 CONECT 1671 1670 1672 1676 1700 CONECT 1672 1671 1673 1674 CONECT 1673 1672 CONECT 1674 1664 1672 1675 CONECT 1675 1674 CONECT 1676 1671 1677 1693 1716 CONECT 1677 1676 1678 1691 1692 CONECT 1678 1677 1679 1683 1687 CONECT 1679 1678 1680 1681 1682 CONECT 1680 1679 CONECT 1681 1679 CONECT 1682 1679 CONECT 1683 1678 1684 1685 1686 CONECT 1684 1683 CONECT 1685 1683 CONECT 1686 1683 CONECT 1687 1678 1688 1689 1690 CONECT 1688 1687 CONECT 1689 1687 CONECT 1690 1687 CONECT 1691 1677 CONECT 1692 1677 CONECT 1693 1676 1694 1714 1715 CONECT 1694 1693 1695 1700 1713 CONECT 1695 1694 1696 1697 CONECT 1696 1695 CONECT 1697 1695 1698 1699 CONECT 1698 1697 CONECT 1699 1697 CONECT 1700 1671 1694 1701 1712 CONECT 1701 1700 1702 1708 CONECT 1702 1701 1703 1704 CONECT 1703 1702 CONECT 1704 1702 1705 1706 CONECT 1705 1704 CONECT 1706 1704 1707 1711 CONECT 1707 1706 1708 1710 CONECT 1708 1701 1707 1709 CONECT 1709 1708 CONECT 1710 1707 CONECT 1711 1706 CONECT 1712 1700 CONECT 1713 1694 CONECT 1714 1693 CONECT 1715 1693 CONECT 1716 1676 CONECT 1717 1669 CONECT 1718 1668 CONECT 1719 1665 MASTER 0 0 0 0 0 0 0 0 1718 1 60 8 END
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
3lbl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human MDM2 protein
Ligand Name
MI6
EC.Number
E.C.6.3.2.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Ki=36nM
Release Year
2010
Protein/NA Sequence
Check fasta file
Primary Reference
(2010) Cell Cycle Vol. 9:5, pp. 1104-1111
Ligand Properties
Formula
C
2
3
H
2
5
Cl
2
FN
3
O
2
Molecular Weight
465.368
Exact Mass
464.131
No. of atoms
56
No. of bonds
59
Polar Surface Area
88.8
LOGP Value
4.21 (
Computed with XLOGP3
)
5.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 4
Canonical SMILES
Clc1ccc2c(c1)NC(=O)[C@]12[C@H]([NH2+][C@H]([C@H]1c1cccc(c1F)Cl)C(=O)N)CC(C)(C)C
InChI String
InChI=1S/C23H24Cl2FN3O2/c1-22(2,3)10-16-23(13-8-7-11(24)9-15(13)28-21(23)31)17(19(29-16)20(27)30)12-5-4-6-14(25)18(12)26/h4-9,16-17,19,29H,10H2,1-3H3,(H2,27,30)(H,28,31)/p+1/t16-,17-,19-,23-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
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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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