Browse entries in the PDBbind-CN Database
HEADER 3VZV_COMPLEX COMPND 3VZV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 85 GLU THR LEU VAL ARG PRO LYS PRO GLU LEU LEU LYS LEU SEQRES 2 A 85 LEU LYS SER VAL GLY ALA GLN LYS ASP THR TYR THR MET SEQRES 3 A 85 LYS GLU VAL LEU PHE TYR LEU GLY GLN TYR ILE MET THR SEQRES 4 A 85 LYS ARG LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL TYR SEQRES 5 A 85 CYS SER ASN ASP LEU LEU GLY ASP LEU PHE GLY VAL PRO SEQRES 6 A 85 SER PHE SER VAL LYS GLU HIS ARG LYS ILE TYR THR MET SEQRES 7 A 85 ILE TYR ARG ASN LEU VAL VAL HET VZV A 86 72 ATOM 1 N GLU A 25 21.513 -3.448 -5.439 1.00 69.04 N ATOM 2 CA GLU A 25 20.297 -2.997 -4.702 1.00 71.20 C ATOM 3 C GLU A 25 19.559 -1.878 -5.484 1.00 68.69 C ATOM 4 O GLU A 25 18.417 -1.515 -5.154 1.00 65.18 O ATOM 5 CB GLU A 25 20.697 -2.551 -3.297 1.00 72.00 C ATOM 6 CG GLU A 25 19.618 -2.700 -2.231 1.00 76.17 C ATOM 7 CD GLU A 25 20.030 -2.045 -0.915 1.00 75.91 C ATOM 8 OE1 GLU A 25 19.922 -2.672 0.180 1.00 66.54 O ATOM 9 OE2 GLU A 25 20.493 -0.887 -0.993 1.00 74.23 O ATOM 10 HA GLU A 25 19.595 -3.826 -4.611 1.00 0.00 H ATOM 11 HB2 GLU A 25 21.559 -3.143 -2.989 1.00 0.00 H ATOM 12 HB3 GLU A 25 20.979 -1.499 -3.345 1.00 0.00 H ATOM 13 HG2 GLU A 25 18.701 -2.230 -2.588 1.00 0.00 H ATOM 14 HG3 GLU A 25 19.437 -3.761 -2.057 1.00 0.00 H ATOM 15 HN3 GLU A 25 22.160 -2.643 -5.563 1.00 0.00 H ATOM 16 HN2 GLU A 25 21.235 -3.818 -6.371 1.00 0.00 H ATOM 17 HN1 GLU A 25 21.989 -4.196 -4.896 1.00 0.00 H ATOM 18 N THR A 26 20.225 -1.335 -6.513 1.00 62.49 N ATOM 19 CA THR A 26 19.532 -0.613 -7.612 1.00 57.27 C ATOM 20 C THR A 26 18.700 -1.620 -8.442 1.00 47.77 C ATOM 21 O THR A 26 17.580 -1.332 -8.821 1.00 44.02 O ATOM 22 CB THR A 26 20.505 0.213 -8.542 1.00 60.09 C ATOM 23 OG1 THR A 26 19.798 0.723 -9.687 1.00 56.87 O ATOM 24 CG2 THR A 26 21.758 -0.607 -9.047 1.00 55.08 C ATOM 25 HA THR A 26 18.877 0.124 -7.148 1.00 0.00 H ATOM 26 HB THR A 26 20.877 1.027 -7.919 1.00 0.00 H ATOM 27 HG1 THR A 26 20.423 1.237 -10.257 1.00 0.00 H ATOM 28 HG23 THR A 26 22.304 -1.000 -8.189 1.00 0.00 H ATOM 29 HG21 THR A 26 21.422 -1.433 -9.674 1.00 0.00 H ATOM 30 HG22 THR A 26 22.410 0.048 -9.625 1.00 0.00 H ATOM 31 H THR A 26 21.261 -1.422 -6.543 1.00 0.00 H ATOM 32 N LEU A 27 19.291 -2.802 -8.640 1.00 42.43 N ATOM 33 CA LEU A 27 18.874 -3.916 -9.468 1.00 35.44 C ATOM 34 C LEU A 27 17.692 -4.772 -8.937 1.00 31.13 C ATOM 35 O LEU A 27 17.157 -4.529 -7.855 1.00 28.98 O ATOM 36 CB LEU A 27 20.112 -4.808 -9.600 1.00 36.18 C ATOM 37 CG LEU A 27 21.469 -4.095 -9.394 1.00 38.00 C ATOM 38 CD1 LEU A 27 22.491 -5.020 -8.749 1.00 40.85 C ATOM 39 CD2 LEU A 27 22.051 -3.493 -10.668 1.00 36.34 C ATOM 40 HA LEU A 27 18.495 -3.503 -10.403 1.00 0.00 H ATOM 41 HB2 LEU A 27 20.034 -5.604 -8.859 1.00 0.00 H ATOM 42 HB3 LEU A 27 20.109 -5.243 -10.600 1.00 0.00 H ATOM 43 HG LEU A 27 21.252 -3.264 -8.722 1.00 0.00 H ATOM 44 HD21 LEU A 27 22.209 -4.283 -11.402 1.00 0.00 H ATOM 45 HD22 LEU A 27 21.356 -2.755 -11.070 1.00 0.00 H ATOM 46 HD23 LEU A 27 23.002 -3.012 -10.439 1.00 0.00 H ATOM 47 HD11 LEU A 27 22.121 -5.347 -7.777 1.00 0.00 H ATOM 48 HD12 LEU A 27 22.649 -5.887 -9.390 1.00 0.00 H ATOM 49 HD13 LEU A 27 23.432 -4.486 -8.620 1.00 0.00 H ATOM 50 H LEU A 27 20.182 -2.944 -8.123 1.00 0.00 H ATOM 51 N VAL A 28 17.295 -5.767 -9.726 1.00 27.39 N ATOM 52 CA VAL A 28 16.133 -6.617 -9.444 1.00 26.22 C ATOM 53 C VAL A 28 16.402 -8.097 -9.843 1.00 26.31 C ATOM 54 O VAL A 28 17.140 -8.374 -10.796 1.00 24.54 O ATOM 55 CB VAL A 28 14.848 -6.116 -10.155 1.00 24.82 C ATOM 56 CG1 VAL A 28 14.456 -4.688 -9.768 1.00 24.11 C ATOM 57 CG2 VAL A 28 14.990 -6.244 -11.654 1.00 24.31 C ATOM 58 HA VAL A 28 15.971 -6.559 -8.368 1.00 0.00 H ATOM 59 HB VAL A 28 14.036 -6.757 -9.812 1.00 0.00 H ATOM 60 HG11 VAL A 28 14.276 -4.640 -8.694 1.00 0.00 H ATOM 61 HG12 VAL A 28 15.264 -4.006 -10.033 1.00 0.00 H ATOM 62 HG13 VAL A 28 13.549 -4.404 -10.302 1.00 0.00 H ATOM 63 HG21 VAL A 28 15.838 -5.647 -11.990 1.00 0.00 H ATOM 64 HG22 VAL A 28 15.155 -7.290 -11.914 1.00 0.00 H ATOM 65 HG23 VAL A 28 14.079 -5.888 -12.136 1.00 0.00 H ATOM 66 H VAL A 28 17.840 -5.953 -10.592 1.00 0.00 H ATOM 67 N ARG A 29 15.792 -9.046 -9.131 1.00 25.46 N ATOM 68 CA ARG A 29 16.233 -10.435 -9.234 1.00 25.58 C ATOM 69 C ARG A 29 15.153 -11.270 -9.877 1.00 24.90 C ATOM 70 O ARG A 29 14.110 -11.481 -9.280 1.00 24.38 O ATOM 71 CB ARG A 29 16.565 -10.979 -7.828 1.00 27.68 C ATOM 72 CG ARG A 29 17.307 -12.317 -7.738 1.00 28.17 C ATOM 73 CD ARG A 29 17.523 -12.785 -6.291 1.00 28.05 C ATOM 74 NE ARG A 29 18.187 -11.752 -5.483 1.00 30.16 N ATOM 75 CZ ARG A 29 19.509 -11.497 -5.480 1.00 32.23 C ATOM 76 NH1 ARG A 29 20.333 -12.229 -6.246 1.00 31.46 N ATOM 77 NH2 ARG A 29 20.018 -10.492 -4.728 1.00 29.59 N ATOM 78 HA ARG A 29 17.128 -10.485 -9.853 1.00 0.00 H ATOM 79 HB2 ARG A 29 17.179 -10.231 -7.326 1.00 0.00 H ATOM 80 HB3 ARG A 29 15.623 -11.092 -7.292 1.00 0.00 H ATOM 81 HG2 ARG A 29 16.726 -13.073 -8.265 1.00 0.00 H ATOM 82 HG3 ARG A 29 18.280 -12.208 -8.218 1.00 0.00 H ATOM 83 HD2 ARG A 29 18.142 -13.682 -6.297 1.00 0.00 H ATOM 84 HD3 ARG A 29 16.556 -13.016 -5.845 1.00 0.00 H ATOM 85 HE ARG A 29 17.587 -11.171 -4.863 1.00 0.00 H ATOM 86 HH12 ARG A 29 21.354 -12.034 -6.245 1.00 0.00 H ATOM 87 HH11 ARG A 29 19.950 -12.992 -6.840 1.00 0.00 H ATOM 88 HH22 ARG A 29 21.041 -10.305 -4.734 1.00 0.00 H ATOM 89 HH21 ARG A 29 19.386 -9.908 -4.145 1.00 0.00 H ATOM 90 H ARG A 29 15.002 -8.797 -8.502 1.00 0.00 H ATOM 91 N PRO A 30 15.387 -11.734 -11.111 1.00 25.05 N ATOM 92 CA PRO A 30 14.390 -12.591 -11.761 1.00 24.62 C ATOM 93 C PRO A 30 14.056 -13.929 -11.071 1.00 24.64 C ATOM 94 O PRO A 30 14.928 -14.642 -10.533 1.00 24.41 O ATOM 95 CB PRO A 30 14.978 -12.791 -13.152 1.00 24.99 C ATOM 96 CG PRO A 30 15.754 -11.548 -13.396 1.00 22.93 C ATOM 97 CD PRO A 30 16.368 -11.213 -12.075 1.00 23.28 C ATOM 98 HA PRO A 30 13.411 -12.113 -11.735 1.00 0.00 H ATOM 99 HD3 PRO A 30 17.334 -11.704 -11.956 1.00 0.00 H ATOM 100 HD2 PRO A 30 16.494 -10.136 -11.963 1.00 0.00 H ATOM 101 HG3 PRO A 30 15.097 -10.744 -13.729 1.00 0.00 H ATOM 102 HG2 PRO A 30 16.526 -11.719 -14.146 1.00 0.00 H ATOM 103 HB2 PRO A 30 15.628 -13.665 -13.176 1.00 0.00 H ATOM 104 HB3 PRO A 30 14.188 -12.907 -13.894 1.00 0.00 H ATOM 105 N LYS A 31 12.769 -14.245 -11.065 1.00 24.85 N ATOM 106 CA LYS A 31 12.377 -15.558 -10.621 1.00 28.34 C ATOM 107 C LYS A 31 12.940 -16.542 -11.630 1.00 32.97 C ATOM 108 O LYS A 31 13.100 -16.210 -12.807 1.00 33.69 O ATOM 109 CB LYS A 31 10.873 -15.698 -10.513 1.00 26.77 C ATOM 110 CG LYS A 31 10.280 -15.056 -9.269 1.00 24.45 C ATOM 111 CD LYS A 31 8.751 -15.069 -9.405 1.00 23.60 C ATOM 112 CE LYS A 31 8.063 -14.075 -8.484 1.00 22.27 C ATOM 113 NZ LYS A 31 6.969 -14.810 -7.826 1.00 21.09 N ATOM 114 HA LYS A 31 12.765 -15.747 -9.620 1.00 0.00 H ATOM 115 HB2 LYS A 31 10.421 -15.231 -11.388 1.00 0.00 H ATOM 116 HB3 LYS A 31 10.627 -16.760 -10.501 1.00 0.00 H ATOM 117 HG2 LYS A 31 10.577 -15.620 -8.385 1.00 0.00 H ATOM 118 HG3 LYS A 31 10.634 -14.029 -9.179 1.00 0.00 H ATOM 119 HD2 LYS A 31 8.492 -14.825 -10.435 1.00 0.00 H ATOM 120 HD3 LYS A 31 8.390 -16.070 -9.168 1.00 0.00 H ATOM 121 HE2 LYS A 31 7.664 -13.240 -9.060 1.00 0.00 H ATOM 122 HE3 LYS A 31 8.766 -13.699 -7.741 1.00 0.00 H ATOM 123 HZ1 LYS A 31 6.311 -15.169 -8.547 1.00 0.00 H ATOM 124 HZ2 LYS A 31 7.364 -15.607 -7.288 1.00 0.00 H ATOM 125 HZ3 LYS A 31 6.463 -14.171 -7.180 1.00 0.00 H ATOM 126 H LYS A 31 12.054 -13.557 -11.376 1.00 0.00 H ATOM 127 N PRO A 32 13.260 -17.764 -11.181 1.00 39.57 N ATOM 128 CA PRO A 32 14.209 -18.457 -12.091 1.00 39.40 C ATOM 129 C PRO A 32 13.670 -18.847 -13.476 1.00 36.01 C ATOM 130 O PRO A 32 14.457 -19.061 -14.372 1.00 39.52 O ATOM 131 CB PRO A 32 14.736 -19.634 -11.230 1.00 40.25 C ATOM 132 CG PRO A 32 14.553 -19.125 -9.798 1.00 39.04 C ATOM 133 CD PRO A 32 13.223 -18.394 -9.838 1.00 37.46 C ATOM 134 HA PRO A 32 15.005 -17.787 -12.417 1.00 0.00 H ATOM 135 HD3 PRO A 32 12.387 -19.087 -9.748 1.00 0.00 H ATOM 136 HD2 PRO A 32 13.159 -17.644 -9.050 1.00 0.00 H ATOM 137 HG3 PRO A 32 15.360 -18.447 -9.521 1.00 0.00 H ATOM 138 HG2 PRO A 32 14.519 -19.955 -9.092 1.00 0.00 H ATOM 139 HB2 PRO A 32 14.151 -20.538 -11.402 1.00 0.00 H ATOM 140 HB3 PRO A 32 15.786 -19.836 -11.443 1.00 0.00 H ATOM 141 N GLU A 33 12.363 -18.898 -13.677 1.00 36.58 N ATOM 142 CA GLU A 33 11.805 -19.178 -15.034 1.00 38.08 C ATOM 143 C GLU A 33 12.010 -18.028 -16.039 1.00 36.58 C ATOM 144 O GLU A 33 12.154 -18.261 -17.244 1.00 36.49 O ATOM 145 CB GLU A 33 10.312 -19.565 -14.991 1.00 40.84 C ATOM 146 CG GLU A 33 10.035 -20.994 -14.532 1.00 49.38 C ATOM 147 CD GLU A 33 10.129 -22.034 -15.658 1.00 55.56 C ATOM 148 OE1 GLU A 33 9.113 -22.223 -16.395 1.00 54.32 O ATOM 149 OE2 GLU A 33 11.208 -22.688 -15.785 1.00 54.04 O ATOM 150 HA GLU A 33 12.382 -20.032 -15.389 1.00 0.00 H ATOM 151 HB2 GLU A 33 9.804 -18.884 -14.307 1.00 0.00 H ATOM 152 HB3 GLU A 33 9.901 -19.445 -15.993 1.00 0.00 H ATOM 153 HG2 GLU A 33 10.760 -21.255 -13.761 1.00 0.00 H ATOM 154 HG3 GLU A 33 9.030 -21.032 -14.111 1.00 0.00 H ATOM 155 H GLU A 33 11.715 -18.741 -12.879 1.00 0.00 H ATOM 156 N LEU A 34 12.018 -16.791 -15.545 1.00 33.18 N ATOM 157 CA LEU A 34 12.264 -15.637 -16.388 1.00 29.58 C ATOM 158 C LEU A 34 13.751 -15.468 -16.568 1.00 29.87 C ATOM 159 O LEU A 34 14.206 -15.058 -17.632 1.00 29.04 O ATOM 160 CB LEU A 34 11.699 -14.381 -15.744 1.00 27.54 C ATOM 161 CG LEU A 34 12.311 -13.078 -16.220 1.00 26.34 C ATOM 162 CD1 LEU A 34 11.661 -12.652 -17.521 1.00 24.20 C ATOM 163 CD2 LEU A 34 12.183 -12.012 -15.147 1.00 26.49 C ATOM 164 HA LEU A 34 11.779 -15.792 -17.352 1.00 0.00 H ATOM 165 HB2 LEU A 34 10.630 -14.347 -15.952 1.00 0.00 H ATOM 166 HB3 LEU A 34 11.856 -14.454 -14.668 1.00 0.00 H ATOM 167 HG LEU A 34 13.375 -13.222 -16.408 1.00 0.00 H ATOM 168 HD21 LEU A 34 11.129 -11.849 -14.922 1.00 0.00 H ATOM 169 HD22 LEU A 34 12.701 -12.341 -14.246 1.00 0.00 H ATOM 170 HD23 LEU A 34 12.627 -11.083 -15.505 1.00 0.00 H ATOM 171 HD11 LEU A 34 11.821 -13.423 -18.275 1.00 0.00 H ATOM 172 HD12 LEU A 34 10.592 -12.513 -17.363 1.00 0.00 H ATOM 173 HD13 LEU A 34 12.105 -11.715 -17.858 1.00 0.00 H ATOM 174 H LEU A 34 11.844 -16.649 -14.530 1.00 0.00 H ATOM 175 N LEU A 35 14.503 -15.767 -15.516 1.00 29.45 N ATOM 176 CA LEU A 35 15.960 -15.758 -15.606 1.00 31.72 C ATOM 177 C LEU A 35 16.533 -16.811 -16.552 1.00 33.92 C ATOM 178 O LEU A 35 17.619 -16.636 -17.089 1.00 36.69 O ATOM 179 CB LEU A 35 16.591 -15.965 -14.247 1.00 31.52 C ATOM 180 CG LEU A 35 18.081 -16.296 -14.226 1.00 30.00 C ATOM 181 CD1 LEU A 35 18.887 -15.091 -14.657 1.00 28.59 C ATOM 182 CD2 LEU A 35 18.439 -16.742 -12.814 1.00 28.64 C ATOM 183 HA LEU A 35 16.203 -14.775 -16.008 1.00 0.00 H ATOM 184 HB2 LEU A 35 16.448 -15.049 -13.673 1.00 0.00 H ATOM 185 HB3 LEU A 35 16.063 -16.785 -13.759 1.00 0.00 H ATOM 186 HG LEU A 35 18.313 -17.099 -14.926 1.00 0.00 H ATOM 187 HD21 LEU A 35 18.220 -15.936 -12.113 1.00 0.00 H ATOM 188 HD22 LEU A 35 17.852 -17.622 -12.552 1.00 0.00 H ATOM 189 HD23 LEU A 35 19.501 -16.986 -12.769 1.00 0.00 H ATOM 190 HD11 LEU A 35 18.598 -14.805 -15.668 1.00 0.00 H ATOM 191 HD12 LEU A 35 18.694 -14.263 -13.974 1.00 0.00 H ATOM 192 HD13 LEU A 35 19.948 -15.340 -14.638 1.00 0.00 H ATOM 193 H LEU A 35 14.047 -16.011 -14.614 1.00 0.00 H ATOM 194 N LYS A 36 15.833 -17.916 -16.728 1.00 35.77 N ATOM 195 CA LYS A 36 16.243 -18.853 -17.750 1.00 39.27 C ATOM 196 C LYS A 36 15.857 -18.299 -19.122 1.00 38.33 C ATOM 197 O LYS A 36 16.588 -18.512 -20.095 1.00 36.92 O ATOM 198 CB LYS A 36 15.698 -20.272 -17.489 1.00 44.21 C ATOM 199 CG LYS A 36 16.528 -21.095 -16.485 1.00 53.15 C ATOM 200 CD LYS A 36 17.915 -21.528 -17.014 1.00 60.86 C ATOM 201 CE LYS A 36 18.314 -22.914 -16.492 1.00 65.49 C ATOM 202 NZ LYS A 36 19.784 -23.181 -16.482 1.00 65.25 N ATOM 203 HA LYS A 36 17.327 -18.963 -17.724 1.00 0.00 H ATOM 204 HB2 LYS A 36 14.683 -20.182 -17.101 1.00 0.00 H ATOM 205 HB3 LYS A 36 15.677 -20.810 -18.437 1.00 0.00 H ATOM 206 HG2 LYS A 36 16.676 -20.493 -15.589 1.00 0.00 H ATOM 207 HG3 LYS A 36 15.964 -21.992 -16.229 1.00 0.00 H ATOM 208 HD2 LYS A 36 17.885 -21.556 -18.103 1.00 0.00 H ATOM 209 HD3 LYS A 36 18.660 -20.801 -16.691 1.00 0.00 H ATOM 210 HE2 LYS A 36 17.837 -23.664 -17.123 1.00 0.00 H ATOM 211 HE3 LYS A 36 17.945 -23.011 -15.471 1.00 0.00 H ATOM 212 HZ1 LYS A 36 20.155 -23.107 -17.451 1.00 0.00 H ATOM 213 HZ2 LYS A 36 20.258 -22.483 -15.873 1.00 0.00 H ATOM 214 HZ3 LYS A 36 19.959 -24.138 -16.115 1.00 0.00 H ATOM 215 H LYS A 36 14.998 -18.110 -16.140 1.00 0.00 H ATOM 216 N LEU A 37 14.727 -17.580 -19.198 1.00 36.85 N ATOM 217 CA LEU A 37 14.364 -16.843 -20.425 1.00 34.96 C ATOM 218 C LEU A 37 15.505 -15.912 -20.882 1.00 35.54 C ATOM 219 O LEU A 37 15.923 -15.969 -22.067 1.00 33.95 O ATOM 220 CB LEU A 37 13.089 -16.041 -20.214 1.00 32.12 C ATOM 221 CG LEU A 37 12.481 -14.999 -21.170 1.00 31.53 C ATOM 222 CD1 LEU A 37 13.466 -14.273 -22.087 1.00 31.87 C ATOM 223 CD2 LEU A 37 11.342 -15.602 -21.964 1.00 28.27 C ATOM 224 HA LEU A 37 14.192 -17.580 -21.210 1.00 0.00 H ATOM 225 HB2 LEU A 37 12.307 -16.788 -20.078 1.00 0.00 H ATOM 226 HB3 LEU A 37 13.246 -15.506 -19.278 1.00 0.00 H ATOM 227 HG LEU A 37 12.106 -14.214 -20.513 1.00 0.00 H ATOM 228 HD21 LEU A 37 11.714 -16.443 -22.549 1.00 0.00 H ATOM 229 HD22 LEU A 37 10.567 -15.948 -21.280 1.00 0.00 H ATOM 230 HD23 LEU A 37 10.928 -14.848 -22.633 1.00 0.00 H ATOM 231 HD11 LEU A 37 14.197 -13.738 -21.481 1.00 0.00 H ATOM 232 HD12 LEU A 37 13.977 -15.000 -22.718 1.00 0.00 H ATOM 233 HD13 LEU A 37 12.923 -13.565 -22.713 1.00 0.00 H ATOM 234 H LEU A 37 14.093 -17.541 -18.375 1.00 0.00 H ATOM 235 N LEU A 38 16.021 -15.101 -19.941 1.00 33.52 N ATOM 236 CA LEU A 38 17.028 -14.073 -20.255 1.00 30.82 C ATOM 237 C LEU A 38 18.330 -14.683 -20.777 1.00 31.62 C ATOM 238 O LEU A 38 19.030 -14.096 -21.636 1.00 29.26 O ATOM 239 CB LEU A 38 17.311 -13.169 -19.060 1.00 28.93 C ATOM 240 CG LEU A 38 16.157 -12.384 -18.429 1.00 27.56 C ATOM 241 CD1 LEU A 38 16.612 -11.930 -17.062 1.00 29.37 C ATOM 242 CD2 LEU A 38 15.654 -11.190 -19.189 1.00 26.20 C ATOM 243 HA LEU A 38 16.600 -13.462 -21.050 1.00 0.00 H ATOM 244 HB2 LEU A 38 17.735 -13.798 -18.277 1.00 0.00 H ATOM 245 HB3 LEU A 38 18.055 -12.440 -19.381 1.00 0.00 H ATOM 246 HG LEU A 38 15.310 -13.070 -18.414 1.00 0.00 H ATOM 247 HD21 LEU A 38 16.465 -10.473 -19.315 1.00 0.00 H ATOM 248 HD22 LEU A 38 15.294 -11.509 -20.167 1.00 0.00 H ATOM 249 HD23 LEU A 38 14.839 -10.725 -18.635 1.00 0.00 H ATOM 250 HD11 LEU A 38 16.858 -12.801 -16.455 1.00 0.00 H ATOM 251 HD12 LEU A 38 17.493 -11.297 -17.166 1.00 0.00 H ATOM 252 HD13 LEU A 38 15.812 -11.366 -16.583 1.00 0.00 H ATOM 253 H LEU A 38 15.698 -15.203 -18.958 1.00 0.00 H ATOM 254 N LYS A 39 18.647 -15.877 -20.284 1.00 31.45 N ATOM 255 CA LYS A 39 19.890 -16.541 -20.698 1.00 28.96 C ATOM 256 C LYS A 39 19.748 -17.208 -22.052 1.00 26.56 C ATOM 257 O LYS A 39 20.719 -17.345 -22.770 1.00 27.41 O ATOM 258 CB LYS A 39 20.420 -17.467 -19.604 1.00 26.86 C ATOM 259 CG LYS A 39 20.688 -16.701 -18.324 1.00 25.86 C ATOM 260 CD LYS A 39 21.362 -17.556 -17.289 1.00 26.97 C ATOM 261 CE LYS A 39 22.096 -16.650 -16.307 1.00 28.00 C ATOM 262 NZ LYS A 39 22.964 -17.403 -15.347 1.00 26.99 N ATOM 263 HA LYS A 39 20.654 -15.776 -20.833 1.00 0.00 H ATOM 264 HB2 LYS A 39 19.682 -18.244 -19.406 1.00 0.00 H ATOM 265 HB3 LYS A 39 21.348 -17.927 -19.945 1.00 0.00 H ATOM 266 HG2 LYS A 39 21.330 -15.850 -18.550 1.00 0.00 H ATOM 267 HG3 LYS A 39 19.740 -16.343 -17.922 1.00 0.00 H ATOM 268 HD2 LYS A 39 20.615 -18.145 -16.757 1.00 0.00 H ATOM 269 HD3 LYS A 39 22.073 -18.225 -17.773 1.00 0.00 H ATOM 270 HE2 LYS A 39 21.358 -16.085 -15.738 1.00 0.00 H ATOM 271 HE3 LYS A 39 22.722 -15.960 -16.873 1.00 0.00 H ATOM 272 HZ1 LYS A 39 22.378 -18.059 -14.793 1.00 0.00 H ATOM 273 HZ2 LYS A 39 23.680 -17.939 -15.877 1.00 0.00 H ATOM 274 HZ3 LYS A 39 23.435 -16.732 -14.707 1.00 0.00 H ATOM 275 H LYS A 39 18.013 -16.342 -19.603 1.00 0.00 H ATOM 276 N SER A 40 18.538 -17.546 -22.456 1.00 26.08 N ATOM 277 CA SER A 40 18.391 -18.070 -23.823 1.00 26.57 C ATOM 278 C SER A 40 18.595 -16.971 -24.879 1.00 26.78 C ATOM 279 O SER A 40 18.532 -17.245 -26.080 1.00 24.72 O ATOM 280 CB SER A 40 17.073 -18.847 -24.025 1.00 26.46 C ATOM 281 OG SER A 40 16.120 -18.121 -24.780 1.00 25.31 O ATOM 282 HA SER A 40 19.189 -18.799 -23.966 1.00 0.00 H ATOM 283 HB2 SER A 40 16.646 -19.071 -23.047 1.00 0.00 H ATOM 284 HB3 SER A 40 17.294 -19.779 -24.545 1.00 0.00 H ATOM 285 HG SER A 40 16.494 -17.919 -25.674 1.00 0.00 H ATOM 286 H SER A 40 17.715 -17.445 -21.828 1.00 0.00 H ATOM 287 N VAL A 41 18.840 -15.735 -24.420 1.00 27.18 N ATOM 288 CA VAL A 41 19.298 -14.670 -25.305 1.00 26.78 C ATOM 289 C VAL A 41 20.648 -14.038 -24.880 1.00 30.95 C ATOM 290 O VAL A 41 20.955 -12.888 -25.240 1.00 33.04 O ATOM 291 CB VAL A 41 18.218 -13.609 -25.560 1.00 24.39 C ATOM 292 CG1 VAL A 41 17.094 -14.192 -26.384 1.00 23.98 C ATOM 293 CG2 VAL A 41 17.656 -13.088 -24.276 1.00 25.98 C ATOM 294 HA VAL A 41 19.493 -15.161 -26.258 1.00 0.00 H ATOM 295 HB VAL A 41 18.688 -12.787 -26.101 1.00 0.00 H ATOM 296 HG11 VAL A 41 17.487 -14.537 -27.340 1.00 0.00 H ATOM 297 HG12 VAL A 41 16.650 -15.031 -25.848 1.00 0.00 H ATOM 298 HG13 VAL A 41 16.337 -13.427 -26.556 1.00 0.00 H ATOM 299 HG21 VAL A 41 17.211 -13.910 -23.716 1.00 0.00 H ATOM 300 HG22 VAL A 41 18.455 -12.637 -23.688 1.00 0.00 H ATOM 301 HG23 VAL A 41 16.894 -12.339 -24.492 1.00 0.00 H ATOM 302 H VAL A 41 18.700 -15.531 -23.410 1.00 0.00 H ATOM 303 N GLY A 42 21.452 -14.778 -24.119 1.00 31.68 N ATOM 304 CA GLY A 42 22.843 -14.386 -23.898 1.00 34.25 C ATOM 305 C GLY A 42 23.135 -13.551 -22.672 1.00 35.62 C ATOM 306 O GLY A 42 24.134 -12.820 -22.642 1.00 34.59 O ATOM 307 HA3 GLY A 42 23.166 -13.816 -24.769 1.00 0.00 H ATOM 308 HA2 GLY A 42 23.434 -15.299 -23.823 1.00 0.00 H ATOM 309 H GLY A 42 21.086 -15.645 -23.677 1.00 0.00 H ATOM 310 N ALA A 43 22.267 -13.646 -21.666 1.00 36.80 N ATOM 311 CA ALA A 43 22.459 -12.834 -20.463 1.00 39.29 C ATOM 312 C ALA A 43 23.316 -13.604 -19.465 1.00 41.23 C ATOM 313 O ALA A 43 23.184 -14.827 -19.363 1.00 44.82 O ATOM 314 CB ALA A 43 21.135 -12.427 -19.862 1.00 34.93 C ATOM 315 HA ALA A 43 22.978 -11.914 -20.732 1.00 0.00 H ATOM 316 HB1 ALA A 43 20.571 -11.844 -20.590 1.00 0.00 H ATOM 317 HB2 ALA A 43 20.570 -13.319 -19.593 1.00 0.00 H ATOM 318 HB3 ALA A 43 21.312 -11.825 -18.970 1.00 0.00 H ATOM 319 H ALA A 43 21.457 -14.294 -21.735 1.00 0.00 H ATOM 320 N GLN A 44 24.196 -12.892 -18.761 1.00 40.92 N ATOM 321 CA GLN A 44 25.223 -13.527 -17.939 1.00 41.97 C ATOM 322 C GLN A 44 24.964 -13.398 -16.438 1.00 44.62 C ATOM 323 O GLN A 44 25.607 -14.065 -15.626 1.00 51.24 O ATOM 324 CB GLN A 44 26.605 -12.917 -18.201 1.00 41.89 C ATOM 325 CG GLN A 44 26.874 -12.341 -19.573 1.00 43.84 C ATOM 326 CD GLN A 44 27.027 -13.389 -20.659 1.00 46.19 C ATOM 327 OE1 GLN A 44 27.214 -14.586 -20.397 1.00 42.05 O ATOM 328 NE2 GLN A 44 26.917 -12.935 -21.909 1.00 50.49 N ATOM 329 HA GLN A 44 25.190 -14.579 -18.224 1.00 0.00 H ATOM 330 HB2 GLN A 44 26.749 -12.114 -17.478 1.00 0.00 H ATOM 331 HB3 GLN A 44 27.344 -13.699 -18.026 1.00 0.00 H ATOM 332 HG2 GLN A 44 26.044 -11.688 -19.840 1.00 0.00 H ATOM 333 HG3 GLN A 44 27.793 -11.757 -19.527 1.00 0.00 H ATOM 334 HE22 GLN A 44 26.760 -11.922 -22.082 1.00 0.00 H ATOM 335 HE21 GLN A 44 26.988 -13.595 -22.710 1.00 0.00 H ATOM 336 H GLN A 44 24.150 -11.854 -18.798 1.00 0.00 H ATOM 337 N LYS A 45 24.055 -12.517 -16.063 1.00 41.71 N ATOM 338 CA LYS A 45 23.847 -12.215 -14.667 1.00 39.27 C ATOM 339 C LYS A 45 22.613 -12.888 -14.089 1.00 40.79 C ATOM 340 O LYS A 45 22.093 -13.871 -14.624 1.00 42.91 O ATOM 341 CB LYS A 45 23.670 -10.734 -14.537 1.00 39.59 C ATOM 342 CG LYS A 45 24.916 -9.965 -14.844 1.00 39.55 C ATOM 343 CD LYS A 45 24.653 -8.534 -14.453 1.00 40.52 C ATOM 344 CE LYS A 45 23.828 -7.840 -15.508 1.00 36.97 C ATOM 345 NZ LYS A 45 23.916 -6.397 -15.152 1.00 41.12 N ATOM 346 HA LYS A 45 24.712 -12.586 -14.117 1.00 0.00 H ATOM 347 HB2 LYS A 45 22.887 -10.416 -15.226 1.00 0.00 H ATOM 348 HB3 LYS A 45 23.366 -10.509 -13.515 1.00 0.00 H ATOM 349 HG2 LYS A 45 25.753 -10.363 -14.271 1.00 0.00 H ATOM 350 HG3 LYS A 45 25.143 -10.028 -15.908 1.00 0.00 H ATOM 351 HD2 LYS A 45 24.114 -8.514 -13.506 1.00 0.00 H ATOM 352 HD3 LYS A 45 25.603 -8.012 -14.340 1.00 0.00 H ATOM 353 HE2 LYS A 45 22.794 -8.183 -15.478 1.00 0.00 H ATOM 354 HE3 LYS A 45 24.240 -8.019 -16.501 1.00 0.00 H ATOM 355 HZ1 LYS A 45 23.530 -6.253 -14.197 1.00 0.00 H ATOM 356 HZ2 LYS A 45 24.911 -6.096 -15.174 1.00 0.00 H ATOM 357 HZ3 LYS A 45 23.368 -5.838 -15.837 1.00 0.00 H ATOM 358 H LYS A 45 23.481 -12.034 -16.783 1.00 0.00 H ATOM 359 N ASP A 46 22.138 -12.345 -12.984 1.00 37.33 N ATOM 360 CA ASP A 46 20.971 -12.882 -12.337 1.00 39.56 C ATOM 361 C ASP A 46 20.368 -11.757 -11.515 1.00 38.96 C ATOM 362 O ASP A 46 19.349 -11.929 -10.817 1.00 39.58 O ATOM 363 CB ASP A 46 21.325 -14.083 -11.477 1.00 47.63 C ATOM 364 CG ASP A 46 22.714 -13.993 -10.903 1.00 57.92 C ATOM 365 OD1 ASP A 46 23.406 -12.946 -11.107 1.00 63.95 O ATOM 366 OD2 ASP A 46 23.112 -14.995 -10.265 1.00 58.38 O ATOM 367 HA ASP A 46 20.250 -13.243 -13.070 1.00 0.00 H ATOM 368 HB2 ASP A 46 20.611 -14.148 -10.656 1.00 0.00 H ATOM 369 HB3 ASP A 46 21.257 -14.983 -12.088 1.00 0.00 H ATOM 370 H ASP A 46 22.615 -11.516 -12.575 1.00 0.00 H ATOM 371 N THR A 47 20.996 -10.591 -11.600 1.00 33.65 N ATOM 372 CA THR A 47 20.282 -9.377 -11.288 1.00 29.09 C ATOM 373 C THR A 47 20.552 -8.409 -12.421 1.00 30.98 C ATOM 374 O THR A 47 21.533 -8.602 -13.174 1.00 31.82 O ATOM 375 CB THR A 47 20.647 -8.775 -9.925 1.00 26.51 C ATOM 376 OG1 THR A 47 21.949 -8.193 -9.972 1.00 25.21 O ATOM 377 CG2 THR A 47 20.572 -9.809 -8.864 1.00 24.92 C ATOM 378 HA THR A 47 19.218 -9.599 -11.199 1.00 0.00 H ATOM 379 HB THR A 47 19.929 -7.990 -9.688 1.00 0.00 H ATOM 380 HG1 THR A 47 22.170 -7.809 -9.086 1.00 0.00 H ATOM 381 HG23 THR A 47 19.570 -10.238 -8.847 1.00 0.00 H ATOM 382 HG21 THR A 47 21.301 -10.593 -9.070 1.00 0.00 H ATOM 383 HG22 THR A 47 20.790 -9.353 -7.898 1.00 0.00 H ATOM 384 H THR A 47 21.994 -10.553 -11.889 1.00 0.00 H ATOM 385 N TYR A 48 19.698 -7.377 -12.530 1.00 29.05 N ATOM 386 CA TYR A 48 19.586 -6.567 -13.727 1.00 25.84 C ATOM 387 C TYR A 48 18.941 -5.245 -13.399 1.00 24.14 C ATOM 388 O TYR A 48 18.186 -5.172 -12.465 1.00 23.47 O ATOM 389 CB TYR A 48 18.671 -7.308 -14.688 1.00 27.13 C ATOM 390 CG TYR A 48 19.275 -8.555 -15.241 1.00 26.41 C ATOM 391 CD1 TYR A 48 19.032 -9.793 -14.656 1.00 25.37 C ATOM 392 CD2 TYR A 48 20.116 -8.489 -16.356 1.00 26.62 C ATOM 393 CE1 TYR A 48 19.625 -10.945 -15.173 1.00 27.58 C ATOM 394 CE2 TYR A 48 20.706 -9.631 -16.890 1.00 27.98 C ATOM 395 CZ TYR A 48 20.467 -10.858 -16.284 1.00 27.47 C ATOM 396 OH TYR A 48 21.056 -11.959 -16.807 1.00 25.92 O ATOM 397 HA TYR A 48 20.574 -6.392 -14.153 1.00 0.00 H ATOM 398 HB3 TYR A 48 18.430 -6.643 -15.518 1.00 0.00 H ATOM 399 HB2 TYR A 48 17.756 -7.573 -14.159 1.00 0.00 H ATOM 400 HD2 TYR A 48 20.314 -7.522 -16.817 1.00 0.00 H ATOM 401 HE2 TYR A 48 21.346 -9.564 -17.770 1.00 0.00 H ATOM 402 HE1 TYR A 48 19.431 -11.913 -14.710 1.00 0.00 H ATOM 403 HD1 TYR A 48 18.375 -9.864 -13.789 1.00 0.00 H ATOM 404 HH TYR A 48 20.797 -12.754 -16.276 1.00 0.00 H ATOM 405 H TYR A 48 19.089 -7.149 -11.718 1.00 0.00 H ATOM 406 N THR A 49 19.243 -4.192 -14.156 1.00 23.53 N ATOM 407 CA THR A 49 18.405 -2.989 -14.153 1.00 22.74 C ATOM 408 C THR A 49 17.143 -3.323 -14.968 1.00 22.29 C ATOM 409 O THR A 49 17.135 -4.308 -15.728 1.00 21.62 O ATOM 410 CB THR A 49 19.108 -1.714 -14.753 1.00 23.73 C ATOM 411 OG1 THR A 49 19.739 -2.011 -16.010 1.00 23.51 O ATOM 412 CG2 THR A 49 20.118 -1.042 -13.789 1.00 21.37 C ATOM 413 HA THR A 49 18.181 -2.731 -13.118 1.00 0.00 H ATOM 414 HB THR A 49 18.308 -0.991 -14.913 1.00 0.00 H ATOM 415 HG1 THR A 49 20.422 -2.715 -15.877 1.00 0.00 H ATOM 416 HG23 THR A 49 19.624 -0.824 -12.842 1.00 0.00 H ATOM 417 HG21 THR A 49 20.957 -1.716 -13.616 1.00 0.00 H ATOM 418 HG22 THR A 49 20.481 -0.115 -14.233 1.00 0.00 H ATOM 419 H THR A 49 20.089 -4.224 -14.760 1.00 0.00 H ATOM 420 N MET A 50 16.076 -2.531 -14.818 1.00 21.41 N ATOM 421 CA MET A 50 14.872 -2.752 -15.622 1.00 20.47 C ATOM 422 C MET A 50 15.263 -2.740 -17.107 1.00 21.96 C ATOM 423 O MET A 50 14.886 -3.654 -17.842 1.00 20.71 O ATOM 424 CB MET A 50 13.811 -1.708 -15.297 1.00 19.99 C ATOM 425 CG MET A 50 12.361 -2.033 -15.683 1.00 20.36 C ATOM 426 SD MET A 50 11.576 -3.499 -14.931 1.00 19.57 S ATOM 427 CE MET A 50 12.078 -4.561 -16.269 1.00 18.87 C ATOM 428 HA MET A 50 14.435 -3.722 -15.387 1.00 0.00 H ATOM 429 HB2 MET A 50 13.834 -1.542 -14.220 1.00 0.00 H ATOM 430 HB3 MET A 50 14.088 -0.788 -15.811 1.00 0.00 H ATOM 431 HG2 MET A 50 12.337 -2.172 -16.764 1.00 0.00 H ATOM 432 HG3 MET A 50 11.754 -1.168 -15.416 1.00 0.00 H ATOM 433 HE1 MET A 50 11.651 -4.194 -17.202 1.00 0.00 H ATOM 434 HE2 MET A 50 13.166 -4.563 -16.341 1.00 0.00 H ATOM 435 HE3 MET A 50 11.723 -5.574 -16.080 1.00 0.00 H ATOM 436 H MET A 50 16.101 -1.754 -14.127 1.00 0.00 H ATOM 437 N LYS A 51 16.074 -1.747 -17.524 1.00 23.50 N ATOM 438 CA LYS A 51 16.529 -1.646 -18.903 1.00 23.44 C ATOM 439 C LYS A 51 17.077 -2.949 -19.421 1.00 21.82 C ATOM 440 O LYS A 51 16.686 -3.388 -20.508 1.00 22.46 O ATOM 441 CB LYS A 51 17.556 -0.530 -19.118 1.00 27.72 C ATOM 442 CG LYS A 51 16.948 0.778 -19.577 1.00 34.69 C ATOM 443 CD LYS A 51 17.865 1.563 -20.537 1.00 40.25 C ATOM 444 CE LYS A 51 17.284 2.984 -20.775 1.00 46.48 C ATOM 445 NZ LYS A 51 18.302 4.101 -20.705 1.00 42.61 N ATOM 446 HA LYS A 51 15.637 -1.391 -19.475 1.00 0.00 H ATOM 447 HB2 LYS A 51 18.077 -0.356 -18.177 1.00 0.00 H ATOM 448 HB3 LYS A 51 18.271 -0.861 -19.872 1.00 0.00 H ATOM 449 HG2 LYS A 51 16.010 0.565 -20.089 1.00 0.00 H ATOM 450 HG3 LYS A 51 16.750 1.396 -18.701 1.00 0.00 H ATOM 451 HD2 LYS A 51 18.860 1.647 -20.100 1.00 0.00 H ATOM 452 HD3 LYS A 51 17.931 1.035 -21.488 1.00 0.00 H ATOM 453 HE2 LYS A 51 16.521 3.171 -20.019 1.00 0.00 H ATOM 454 HE3 LYS A 51 16.826 3.003 -21.764 1.00 0.00 H ATOM 455 HZ1 LYS A 51 18.742 4.109 -19.763 1.00 0.00 H ATOM 456 HZ2 LYS A 51 19.033 3.948 -21.429 1.00 0.00 H ATOM 457 HZ3 LYS A 51 17.828 5.011 -20.875 1.00 0.00 H ATOM 458 H LYS A 51 16.385 -1.030 -16.838 1.00 0.00 H ATOM 459 N GLU A 52 17.964 -3.597 -18.686 1.00 21.39 N ATOM 460 CA GLU A 52 18.426 -4.874 -19.213 1.00 21.81 C ATOM 461 C GLU A 52 17.274 -5.811 -19.469 1.00 21.39 C ATOM 462 O GLU A 52 17.200 -6.391 -20.551 1.00 22.48 O ATOM 463 CB GLU A 52 19.368 -5.554 -18.298 1.00 23.39 C ATOM 464 CG GLU A 52 20.780 -5.069 -18.462 1.00 27.26 C ATOM 465 CD GLU A 52 21.311 -4.675 -17.128 1.00 30.13 C ATOM 466 OE1 GLU A 52 20.940 -3.577 -16.689 1.00 36.39 O ATOM 467 OE2 GLU A 52 22.021 -5.463 -16.488 1.00 30.83 O ATOM 468 HA GLU A 52 18.938 -4.638 -20.146 1.00 0.00 H ATOM 469 HB2 GLU A 52 19.052 -5.371 -17.271 1.00 0.00 H ATOM 470 HB3 GLU A 52 19.340 -6.625 -18.500 1.00 0.00 H ATOM 471 HG2 GLU A 52 21.395 -5.866 -18.880 1.00 0.00 H ATOM 472 HG3 GLU A 52 20.797 -4.209 -19.132 1.00 0.00 H ATOM 473 H GLU A 52 18.312 -3.217 -17.783 1.00 0.00 H ATOM 474 N VAL A 53 16.374 -5.953 -18.490 1.00 20.04 N ATOM 475 CA VAL A 53 15.230 -6.852 -18.632 1.00 17.98 C ATOM 476 C VAL A 53 14.438 -6.501 -19.879 1.00 16.99 C ATOM 477 O VAL A 53 14.226 -7.356 -20.742 1.00 17.56 O ATOM 478 CB VAL A 53 14.329 -6.820 -17.381 1.00 17.81 C ATOM 479 CG1 VAL A 53 13.229 -7.855 -17.451 1.00 17.70 C ATOM 480 CG2 VAL A 53 15.146 -7.072 -16.135 1.00 18.48 C ATOM 481 HA VAL A 53 15.609 -7.869 -18.734 1.00 0.00 H ATOM 482 HB VAL A 53 13.877 -5.829 -17.343 1.00 0.00 H ATOM 483 HG11 VAL A 53 12.607 -7.664 -18.325 1.00 0.00 H ATOM 484 HG12 VAL A 53 13.671 -8.848 -17.529 1.00 0.00 H ATOM 485 HG13 VAL A 53 12.619 -7.797 -16.550 1.00 0.00 H ATOM 486 HG21 VAL A 53 15.621 -8.050 -16.205 1.00 0.00 H ATOM 487 HG22 VAL A 53 15.911 -6.301 -16.042 1.00 0.00 H ATOM 488 HG23 VAL A 53 14.493 -7.046 -15.263 1.00 0.00 H ATOM 489 H VAL A 53 16.490 -5.412 -17.609 1.00 0.00 H ATOM 490 N LEU A 54 14.038 -5.243 -20.012 1.00 16.05 N ATOM 491 CA LEU A 54 13.298 -4.844 -21.191 1.00 15.62 C ATOM 492 C LEU A 54 14.079 -5.147 -22.453 1.00 15.48 C ATOM 493 O LEU A 54 13.518 -5.484 -23.476 1.00 15.58 O ATOM 494 CB LEU A 54 12.888 -3.371 -21.112 1.00 15.14 C ATOM 495 CG LEU A 54 11.843 -3.139 -20.015 1.00 15.05 C ATOM 496 CD1 LEU A 54 11.754 -1.690 -19.598 1.00 14.06 C ATOM 497 CD2 LEU A 54 10.473 -3.680 -20.457 1.00 14.19 C ATOM 498 HA LEU A 54 12.381 -5.432 -21.230 1.00 0.00 H ATOM 499 HB2 LEU A 54 13.770 -2.768 -20.895 1.00 0.00 H ATOM 500 HB3 LEU A 54 12.469 -3.067 -22.071 1.00 0.00 H ATOM 501 HG LEU A 54 12.168 -3.692 -19.134 1.00 0.00 H ATOM 502 HD21 LEU A 54 10.156 -3.166 -21.364 1.00 0.00 H ATOM 503 HD22 LEU A 54 10.552 -4.749 -20.653 1.00 0.00 H ATOM 504 HD23 LEU A 54 9.743 -3.507 -19.666 1.00 0.00 H ATOM 505 HD11 LEU A 54 12.721 -1.363 -19.216 1.00 0.00 H ATOM 506 HD12 LEU A 54 11.478 -1.082 -20.459 1.00 0.00 H ATOM 507 HD13 LEU A 54 10.999 -1.583 -18.819 1.00 0.00 H ATOM 508 H LEU A 54 14.255 -4.546 -19.272 1.00 0.00 H ATOM 509 N PHE A 55 15.383 -5.026 -22.393 1.00 15.21 N ATOM 510 CA PHE A 55 16.112 -5.207 -23.605 1.00 15.05 C ATOM 511 C PHE A 55 16.169 -6.694 -23.991 1.00 15.40 C ATOM 512 O PHE A 55 16.073 -7.058 -25.153 1.00 15.29 O ATOM 513 CB PHE A 55 17.502 -4.582 -23.454 1.00 14.05 C ATOM 514 CG PHE A 55 18.484 -5.085 -24.461 1.00 13.22 C ATOM 515 CD1 PHE A 55 18.533 -4.510 -25.727 1.00 12.24 C ATOM 516 CD2 PHE A 55 19.315 -6.187 -24.163 1.00 12.59 C ATOM 517 CE1 PHE A 55 19.406 -4.988 -26.669 1.00 11.66 C ATOM 518 CE2 PHE A 55 20.182 -6.676 -25.111 1.00 11.69 C ATOM 519 CZ PHE A 55 20.236 -6.071 -26.357 1.00 11.89 C ATOM 520 HA PHE A 55 15.603 -4.699 -24.424 1.00 0.00 H ATOM 521 HB2 PHE A 55 17.411 -3.502 -23.567 1.00 0.00 H ATOM 522 HB3 PHE A 55 17.879 -4.811 -22.457 1.00 0.00 H ATOM 523 HD2 PHE A 55 19.269 -6.651 -23.178 1.00 0.00 H ATOM 524 HE2 PHE A 55 20.820 -7.530 -24.885 1.00 0.00 H ATOM 525 HZ PHE A 55 20.935 -6.444 -27.105 1.00 0.00 H ATOM 526 HE1 PHE A 55 19.454 -4.527 -27.656 1.00 0.00 H ATOM 527 HD1 PHE A 55 17.875 -3.676 -25.970 1.00 0.00 H ATOM 528 H PHE A 55 15.866 -4.807 -21.498 1.00 0.00 H ATOM 529 N TYR A 56 16.393 -7.546 -23.011 1.00 16.86 N ATOM 530 CA TYR A 56 16.353 -8.979 -23.241 1.00 18.28 C ATOM 531 C TYR A 56 14.979 -9.511 -23.654 1.00 17.85 C ATOM 532 O TYR A 56 14.869 -10.148 -24.707 1.00 18.19 O ATOM 533 CB TYR A 56 16.892 -9.730 -22.048 1.00 19.70 C ATOM 534 CG TYR A 56 18.378 -9.563 -21.913 1.00 21.55 C ATOM 535 CD1 TYR A 56 19.276 -10.125 -22.881 1.00 22.08 C ATOM 536 CD2 TYR A 56 18.909 -8.850 -20.831 1.00 22.27 C ATOM 537 CE1 TYR A 56 20.653 -9.975 -22.752 1.00 23.32 C ATOM 538 CE2 TYR A 56 20.279 -8.689 -20.685 1.00 24.04 C ATOM 539 CZ TYR A 56 21.141 -9.247 -21.639 1.00 25.17 C ATOM 540 OH TYR A 56 22.484 -9.062 -21.446 1.00 26.84 O ATOM 541 HA TYR A 56 17.001 -9.158 -24.099 1.00 0.00 H ATOM 542 HB3 TYR A 56 16.664 -10.790 -22.165 1.00 0.00 H ATOM 543 HB2 TYR A 56 16.410 -9.353 -21.146 1.00 0.00 H ATOM 544 HD2 TYR A 56 18.236 -8.415 -20.092 1.00 0.00 H ATOM 545 HE2 TYR A 56 20.681 -8.134 -19.837 1.00 0.00 H ATOM 546 HE1 TYR A 56 21.336 -10.405 -23.485 1.00 0.00 H ATOM 547 HD1 TYR A 56 18.873 -10.678 -23.730 1.00 0.00 H ATOM 548 HH TYR A 56 22.985 -9.499 -22.180 1.00 0.00 H ATOM 549 H TYR A 56 16.602 -7.186 -22.058 1.00 0.00 H ATOM 550 N LEU A 57 13.938 -9.243 -22.876 1.00 16.44 N ATOM 551 CA LEU A 57 12.579 -9.494 -23.378 1.00 16.06 C ATOM 552 C LEU A 57 12.347 -9.124 -24.857 1.00 16.21 C ATOM 553 O LEU A 57 11.502 -9.711 -25.505 1.00 17.50 O ATOM 554 CB LEU A 57 11.523 -8.795 -22.504 1.00 16.27 C ATOM 555 CG LEU A 57 11.314 -9.482 -21.158 1.00 16.96 C ATOM 556 CD1 LEU A 57 10.803 -8.548 -20.087 1.00 17.19 C ATOM 557 CD2 LEU A 57 10.371 -10.670 -21.294 1.00 18.06 C ATOM 558 HA LEU A 57 12.469 -10.577 -23.316 1.00 0.00 H ATOM 559 HB2 LEU A 57 11.844 -7.769 -22.325 1.00 0.00 H ATOM 560 HB3 LEU A 57 10.575 -8.789 -23.042 1.00 0.00 H ATOM 561 HG LEU A 57 12.298 -9.828 -20.843 1.00 0.00 H ATOM 562 HD21 LEU A 57 9.406 -10.326 -21.666 1.00 0.00 H ATOM 563 HD22 LEU A 57 10.795 -11.391 -21.993 1.00 0.00 H ATOM 564 HD23 LEU A 57 10.240 -11.141 -20.320 1.00 0.00 H ATOM 565 HD11 LEU A 57 11.520 -7.741 -19.938 1.00 0.00 H ATOM 566 HD12 LEU A 57 9.845 -8.131 -20.397 1.00 0.00 H ATOM 567 HD13 LEU A 57 10.676 -9.100 -19.156 1.00 0.00 H ATOM 568 H LEU A 57 14.082 -8.859 -21.920 1.00 0.00 H ATOM 569 N GLY A 58 13.088 -8.160 -25.386 1.00 15.81 N ATOM 570 CA GLY A 58 12.914 -7.677 -26.735 1.00 15.57 C ATOM 571 C GLY A 58 13.733 -8.561 -27.641 1.00 16.39 C ATOM 572 O GLY A 58 13.270 -8.906 -28.734 1.00 17.42 O ATOM 573 HA3 GLY A 58 13.259 -6.646 -26.809 1.00 0.00 H ATOM 574 HA2 GLY A 58 11.862 -7.728 -27.016 1.00 0.00 H ATOM 575 H GLY A 58 13.832 -7.730 -24.800 1.00 0.00 H ATOM 576 N GLN A 59 14.941 -8.954 -27.220 1.00 16.36 N ATOM 577 CA GLN A 59 15.680 -9.999 -27.958 1.00 16.47 C ATOM 578 C GLN A 59 14.683 -11.069 -28.289 1.00 17.10 C ATOM 579 O GLN A 59 14.369 -11.335 -29.459 1.00 17.56 O ATOM 580 CB GLN A 59 16.777 -10.670 -27.108 1.00 16.88 C ATOM 581 CG GLN A 59 18.073 -9.868 -26.831 1.00 17.98 C ATOM 582 CD GLN A 59 18.795 -9.334 -28.073 1.00 16.15 C ATOM 583 OE1 GLN A 59 18.262 -8.499 -28.787 1.00 15.96 O ATOM 584 NE2 GLN A 59 20.010 -9.786 -28.297 1.00 14.90 N ATOM 585 HA GLN A 59 16.153 -9.538 -28.825 1.00 0.00 H ATOM 586 HB2 GLN A 59 16.335 -10.916 -26.143 1.00 0.00 H ATOM 587 HB3 GLN A 59 17.067 -11.589 -27.618 1.00 0.00 H ATOM 588 HG2 GLN A 59 17.814 -9.017 -26.201 1.00 0.00 H ATOM 589 HG3 GLN A 59 18.763 -10.519 -26.295 1.00 0.00 H ATOM 590 HE22 GLN A 59 20.425 -10.498 -27.663 1.00 0.00 H ATOM 591 HE21 GLN A 59 20.555 -9.432 -29.109 1.00 0.00 H ATOM 592 H GLN A 59 15.360 -8.523 -26.372 1.00 0.00 H ATOM 593 N TYR A 60 14.171 -11.663 -27.218 1.00 16.96 N ATOM 594 CA TYR A 60 13.288 -12.753 -27.285 1.00 16.91 C ATOM 595 C TYR A 60 12.243 -12.498 -28.327 1.00 17.96 C ATOM 596 O TYR A 60 12.139 -13.252 -29.307 1.00 19.02 O ATOM 597 CB TYR A 60 12.619 -12.861 -25.967 1.00 18.40 C ATOM 598 CG TYR A 60 12.143 -14.235 -25.704 1.00 20.72 C ATOM 599 CD1 TYR A 60 13.058 -15.257 -25.424 1.00 20.28 C ATOM 600 CD2 TYR A 60 10.770 -14.534 -25.734 1.00 21.52 C ATOM 601 CE1 TYR A 60 12.636 -16.542 -25.185 1.00 22.35 C ATOM 602 CE2 TYR A 60 10.325 -15.833 -25.477 1.00 23.14 C ATOM 603 CZ TYR A 60 11.267 -16.833 -25.223 1.00 23.56 C ATOM 604 OH TYR A 60 10.860 -18.113 -24.983 1.00 23.65 O ATOM 605 HA TYR A 60 13.831 -13.664 -27.537 1.00 0.00 H ATOM 606 HB3 TYR A 60 11.766 -12.182 -25.947 1.00 0.00 H ATOM 607 HB2 TYR A 60 13.326 -12.577 -25.188 1.00 0.00 H ATOM 608 HD2 TYR A 60 10.049 -13.748 -25.959 1.00 0.00 H ATOM 609 HE2 TYR A 60 9.259 -16.063 -25.475 1.00 0.00 H ATOM 610 HE1 TYR A 60 13.360 -17.328 -24.968 1.00 0.00 H ATOM 611 HD1 TYR A 60 14.123 -15.029 -25.395 1.00 0.00 H ATOM 612 HH TYR A 60 10.359 -18.451 -25.767 1.00 0.00 H ATOM 613 H TYR A 60 14.438 -11.302 -26.280 1.00 0.00 H ATOM 614 N ILE A 61 11.470 -11.432 -28.160 1.00 16.85 N ATOM 615 CA ILE A 61 10.310 -11.271 -29.015 1.00 16.48 C ATOM 616 C ILE A 61 10.726 -11.225 -30.471 1.00 16.95 C ATOM 617 O ILE A 61 10.149 -11.895 -31.310 1.00 18.07 O ATOM 618 CB ILE A 61 9.532 -10.017 -28.657 1.00 16.53 C ATOM 619 CG1 ILE A 61 8.898 -10.155 -27.284 1.00 16.36 C ATOM 620 CG2 ILE A 61 8.524 -9.650 -29.744 1.00 16.67 C ATOM 621 CD1 ILE A 61 8.364 -8.818 -26.787 1.00 17.11 C ATOM 622 HA ILE A 61 9.660 -12.132 -28.858 1.00 0.00 H ATOM 623 HB ILE A 61 10.230 -9.182 -28.603 1.00 0.00 H ATOM 624 HG12 ILE A 61 8.075 -10.867 -27.342 1.00 0.00 H ATOM 625 HG13 ILE A 61 9.646 -10.523 -26.582 1.00 0.00 H ATOM 626 HD11 ILE A 61 9.184 -8.102 -26.722 1.00 0.00 H ATOM 627 HD12 ILE A 61 7.611 -8.448 -27.483 1.00 0.00 H ATOM 628 HD13 ILE A 61 7.916 -8.950 -25.802 1.00 0.00 H ATOM 629 HG21 ILE A 61 9.051 -9.472 -30.681 1.00 0.00 H ATOM 630 HG22 ILE A 61 7.816 -10.469 -29.873 1.00 0.00 H ATOM 631 HG23 ILE A 61 7.988 -8.748 -29.451 1.00 0.00 H ATOM 632 H ILE A 61 11.692 -10.726 -27.430 1.00 0.00 H ATOM 633 N MET A 62 11.733 -10.428 -30.770 1.00 16.94 N ATOM 634 CA MET A 62 12.302 -10.387 -32.102 1.00 16.77 C ATOM 635 C MET A 62 13.094 -11.652 -32.573 1.00 16.53 C ATOM 636 O MET A 62 13.006 -12.004 -33.741 1.00 16.49 O ATOM 637 CB MET A 62 13.146 -9.127 -32.172 1.00 17.34 C ATOM 638 CG MET A 62 12.420 -7.970 -31.539 1.00 17.00 C ATOM 639 SD MET A 62 11.010 -7.533 -32.585 1.00 19.03 S ATOM 640 CE MET A 62 11.826 -6.976 -34.078 1.00 18.47 C ATOM 641 HA MET A 62 11.474 -10.379 -32.810 1.00 0.00 H ATOM 642 HB2 MET A 62 14.085 -9.294 -31.644 1.00 0.00 H ATOM 643 HB3 MET A 62 13.355 -8.892 -33.216 1.00 0.00 H ATOM 644 HG2 MET A 62 13.093 -7.117 -31.453 1.00 0.00 H ATOM 645 HG3 MET A 62 12.068 -8.255 -30.548 1.00 0.00 H ATOM 646 HE1 MET A 62 12.468 -6.127 -33.844 1.00 0.00 H ATOM 647 HE2 MET A 62 12.429 -7.788 -34.485 1.00 0.00 H ATOM 648 HE3 MET A 62 11.076 -6.676 -34.810 1.00 0.00 H ATOM 649 H MET A 62 12.129 -9.813 -30.031 1.00 0.00 H ATOM 650 N THR A 63 13.867 -12.319 -31.712 1.00 16.12 N ATOM 651 CA THR A 63 14.465 -13.573 -32.145 1.00 17.36 C ATOM 652 C THR A 63 13.479 -14.753 -32.362 1.00 19.50 C ATOM 653 O THR A 63 13.600 -15.514 -33.343 1.00 19.72 O ATOM 654 CB THR A 63 15.667 -14.074 -31.311 1.00 16.94 C ATOM 655 OG1 THR A 63 15.732 -13.449 -30.038 1.00 17.08 O ATOM 656 CG2 THR A 63 16.895 -13.726 -32.004 1.00 18.34 C ATOM 657 HA THR A 63 14.841 -13.262 -33.120 1.00 0.00 H ATOM 658 HB THR A 63 15.545 -15.150 -31.183 1.00 0.00 H ATOM 659 HG1 THR A 63 15.825 -12.471 -30.156 1.00 0.00 H ATOM 660 HG23 THR A 63 16.895 -14.184 -32.993 1.00 0.00 H ATOM 661 HG21 THR A 63 16.960 -12.643 -32.104 1.00 0.00 H ATOM 662 HG22 THR A 63 17.749 -14.091 -31.433 1.00 0.00 H ATOM 663 H THR A 63 14.038 -11.951 -30.754 1.00 0.00 H ATOM 664 N LYS A 64 12.550 -14.953 -31.430 1.00 20.52 N ATOM 665 CA LYS A 64 11.688 -16.115 -31.492 1.00 21.45 C ATOM 666 C LYS A 64 10.490 -15.759 -32.380 1.00 23.24 C ATOM 667 O LYS A 64 9.575 -16.562 -32.590 1.00 23.13 O ATOM 668 CB LYS A 64 11.284 -16.538 -30.083 1.00 21.84 C ATOM 669 CG LYS A 64 12.009 -17.741 -29.502 1.00 22.24 C ATOM 670 CD LYS A 64 11.257 -19.028 -29.869 1.00 26.07 C ATOM 671 CE LYS A 64 11.057 -20.046 -28.732 1.00 25.69 C ATOM 672 NZ LYS A 64 12.292 -20.212 -27.922 1.00 28.10 N ATOM 673 HA LYS A 64 12.199 -16.972 -31.930 1.00 0.00 H ATOM 674 HB2 LYS A 64 11.461 -15.692 -29.419 1.00 0.00 H ATOM 675 HB3 LYS A 64 10.219 -16.769 -30.099 1.00 0.00 H ATOM 676 HG2 LYS A 64 13.020 -17.785 -29.906 1.00 0.00 H ATOM 677 HG3 LYS A 64 12.057 -17.646 -28.417 1.00 0.00 H ATOM 678 HD2 LYS A 64 10.272 -18.744 -30.239 1.00 0.00 H ATOM 679 HD3 LYS A 64 11.813 -19.523 -30.665 1.00 0.00 H ATOM 680 HE2 LYS A 64 10.784 -21.009 -29.163 1.00 0.00 H ATOM 681 HE3 LYS A 64 10.252 -19.699 -28.084 1.00 0.00 H ATOM 682 HZ1 LYS A 64 13.063 -20.549 -28.533 1.00 0.00 H ATOM 683 HZ2 LYS A 64 12.555 -19.298 -27.502 1.00 0.00 H ATOM 684 HZ3 LYS A 64 12.119 -20.905 -27.166 1.00 0.00 H ATOM 685 H LYS A 64 12.443 -14.271 -30.653 1.00 0.00 H ATOM 686 N ARG A 65 10.516 -14.543 -32.919 1.00 24.63 N ATOM 687 CA ARG A 65 9.517 -14.071 -33.899 1.00 25.14 C ATOM 688 C ARG A 65 8.017 -14.072 -33.459 1.00 22.13 C ATOM 689 O ARG A 65 7.092 -14.238 -34.263 1.00 21.73 O ATOM 690 CB ARG A 65 9.754 -14.779 -35.237 1.00 29.12 C ATOM 691 CG ARG A 65 10.312 -13.882 -36.348 1.00 31.65 C ATOM 692 CD ARG A 65 10.862 -14.716 -37.510 1.00 33.63 C ATOM 693 NE ARG A 65 12.241 -15.150 -37.254 1.00 35.22 N ATOM 694 CZ ARG A 65 12.645 -16.406 -37.134 1.00 35.14 C ATOM 695 NH1 ARG A 65 11.784 -17.389 -37.263 1.00 38.44 N ATOM 696 NH2 ARG A 65 13.927 -16.673 -36.906 1.00 40.10 N ATOM 697 HA ARG A 65 9.693 -13.000 -33.997 1.00 0.00 H ATOM 698 HB2 ARG A 65 10.460 -15.592 -35.070 1.00 0.00 H ATOM 699 HB3 ARG A 65 8.803 -15.189 -35.577 1.00 0.00 H ATOM 700 HG2 ARG A 65 9.515 -13.237 -36.719 1.00 0.00 H ATOM 701 HG3 ARG A 65 11.115 -13.268 -35.940 1.00 0.00 H ATOM 702 HD2 ARG A 65 10.842 -14.114 -38.419 1.00 0.00 H ATOM 703 HD3 ARG A 65 10.232 -15.596 -37.644 1.00 0.00 H ATOM 704 HE ARG A 65 12.963 -14.407 -37.159 1.00 0.00 H ATOM 705 HH12 ARG A 65 12.102 -18.375 -37.169 1.00 0.00 H ATOM 706 HH11 ARG A 65 10.784 -17.182 -37.460 1.00 0.00 H ATOM 707 HH22 ARG A 65 14.244 -17.659 -36.812 1.00 0.00 H ATOM 708 HH21 ARG A 65 14.613 -15.896 -36.822 1.00 0.00 H ATOM 709 H ARG A 65 11.277 -13.893 -32.636 1.00 0.00 H ATOM 710 N LEU A 66 7.809 -13.797 -32.189 1.00 19.92 N ATOM 711 CA LEU A 66 6.502 -13.795 -31.571 1.00 19.76 C ATOM 712 C LEU A 66 5.532 -12.711 -31.982 1.00 21.32 C ATOM 713 O LEU A 66 4.847 -12.208 -31.109 1.00 22.43 O ATOM 714 CB LEU A 66 6.684 -13.661 -30.069 1.00 17.68 C ATOM 715 CG LEU A 66 7.718 -14.666 -29.590 1.00 17.02 C ATOM 716 CD1 LEU A 66 7.686 -14.718 -28.090 1.00 17.12 C ATOM 717 CD2 LEU A 66 7.391 -16.011 -30.123 1.00 16.80 C ATOM 718 HA LEU A 66 6.057 -14.731 -31.908 1.00 0.00 H ATOM 719 HB2 LEU A 66 7.022 -12.652 -29.833 1.00 0.00 H ATOM 720 HB3 LEU A 66 5.734 -13.851 -29.570 1.00 0.00 H ATOM 721 HG LEU A 66 8.706 -14.366 -29.938 1.00 0.00 H ATOM 722 HD21 LEU A 66 6.404 -16.310 -29.770 1.00 0.00 H ATOM 723 HD22 LEU A 66 7.394 -15.979 -31.213 1.00 0.00 H ATOM 724 HD23 LEU A 66 8.135 -16.728 -29.777 1.00 0.00 H ATOM 725 HD11 LEU A 66 7.916 -13.731 -27.689 1.00 0.00 H ATOM 726 HD12 LEU A 66 6.693 -15.023 -27.759 1.00 0.00 H ATOM 727 HD13 LEU A 66 8.425 -15.437 -27.737 1.00 0.00 H ATOM 728 H LEU A 66 8.632 -13.568 -31.596 1.00 0.00 H ATOM 729 N TYR A 67 5.459 -12.329 -33.251 1.00 21.90 N ATOM 730 CA TYR A 67 4.490 -11.309 -33.636 1.00 25.97 C ATOM 731 C TYR A 67 3.872 -11.442 -35.039 1.00 31.77 C ATOM 732 O TYR A 67 4.384 -12.103 -35.943 1.00 30.01 O ATOM 733 CB TYR A 67 5.082 -9.891 -33.492 1.00 26.33 C ATOM 734 CG TYR A 67 6.390 -9.730 -34.245 1.00 26.06 C ATOM 735 CD1 TYR A 67 6.443 -9.124 -35.512 1.00 23.87 C ATOM 736 CD2 TYR A 67 7.592 -10.230 -33.689 1.00 25.16 C ATOM 737 CE1 TYR A 67 7.657 -9.001 -36.188 1.00 23.43 C ATOM 738 CE2 TYR A 67 8.794 -10.114 -34.356 1.00 24.24 C ATOM 739 CZ TYR A 67 8.838 -9.495 -35.594 1.00 24.67 C ATOM 740 OH TYR A 67 10.094 -9.422 -36.206 1.00 26.64 O ATOM 741 HA TYR A 67 3.673 -11.477 -32.935 1.00 0.00 H ATOM 742 HB3 TYR A 67 5.259 -9.691 -32.435 1.00 0.00 H ATOM 743 HB2 TYR A 67 4.363 -9.170 -33.881 1.00 0.00 H ATOM 744 HD2 TYR A 67 7.567 -10.717 -32.714 1.00 0.00 H ATOM 745 HE2 TYR A 67 9.707 -10.509 -33.910 1.00 0.00 H ATOM 746 HE1 TYR A 67 7.693 -8.526 -37.169 1.00 0.00 H ATOM 747 HD1 TYR A 67 5.528 -8.747 -35.970 1.00 0.00 H ATOM 748 HH TYR A 67 10.008 -8.963 -37.079 1.00 0.00 H ATOM 749 H TYR A 67 6.087 -12.753 -33.964 1.00 0.00 H ATOM 750 N ASP A 68 2.770 -10.718 -35.184 1.00 41.93 N ATOM 751 CA ASP A 68 1.926 -10.668 -36.369 1.00 50.05 C ATOM 752 C ASP A 68 2.516 -9.786 -37.483 1.00 50.04 C ATOM 753 O ASP A 68 2.969 -8.677 -37.227 1.00 50.19 O ATOM 754 CB ASP A 68 0.589 -10.047 -35.911 1.00 55.32 C ATOM 755 CG ASP A 68 -0.623 -10.731 -36.514 1.00 56.59 C ATOM 756 OD1 ASP A 68 -1.751 -10.200 -36.348 1.00 53.09 O ATOM 757 OD2 ASP A 68 -0.440 -11.801 -37.142 1.00 60.35 O ATOM 758 HA ASP A 68 1.822 -11.672 -36.781 1.00 0.00 H ATOM 759 HB2 ASP A 68 0.525 -10.122 -34.825 1.00 0.00 H ATOM 760 HB3 ASP A 68 0.576 -8.997 -36.203 1.00 0.00 H ATOM 761 H ASP A 68 2.482 -10.131 -34.375 1.00 0.00 H ATOM 762 N GLU A 69 2.489 -10.246 -38.724 1.00 54.49 N ATOM 763 CA GLU A 69 2.908 -9.370 -39.824 1.00 60.39 C ATOM 764 C GLU A 69 1.825 -8.271 -40.032 1.00 56.01 C ATOM 765 O GLU A 69 2.113 -7.159 -40.476 1.00 51.25 O ATOM 766 CB GLU A 69 3.207 -10.193 -41.108 1.00 70.67 C ATOM 767 CG GLU A 69 4.148 -9.547 -42.159 1.00 82.60 C ATOM 768 CD GLU A 69 5.646 -9.880 -41.992 1.00 87.05 C ATOM 769 OE1 GLU A 69 6.446 -9.575 -42.929 1.00 76.76 O ATOM 770 OE2 GLU A 69 6.030 -10.442 -40.928 1.00 86.20 O ATOM 771 HA GLU A 69 3.844 -8.871 -39.575 1.00 0.00 H ATOM 772 HB2 GLU A 69 3.659 -11.135 -40.797 1.00 0.00 H ATOM 773 HB3 GLU A 69 2.255 -10.394 -41.599 1.00 0.00 H ATOM 774 HG2 GLU A 69 3.835 -9.886 -43.146 1.00 0.00 H ATOM 775 HG3 GLU A 69 4.034 -8.465 -42.095 1.00 0.00 H ATOM 776 H GLU A 69 2.174 -11.218 -38.917 1.00 0.00 H ATOM 777 N LYS A 70 0.591 -8.586 -39.646 1.00 57.31 N ATOM 778 CA LYS A 70 -0.597 -7.741 -39.884 1.00 62.76 C ATOM 779 C LYS A 70 -0.650 -6.552 -38.893 1.00 61.97 C ATOM 780 O LYS A 70 -0.666 -5.387 -39.316 1.00 62.91 O ATOM 781 CB LYS A 70 -1.875 -8.637 -39.836 1.00 64.05 C ATOM 782 CG LYS A 70 -3.247 -8.036 -40.187 1.00 66.02 C ATOM 783 CD LYS A 70 -4.143 -7.895 -38.942 1.00 67.98 C ATOM 784 CE LYS A 70 -5.646 -8.011 -39.192 1.00 66.86 C ATOM 785 NZ LYS A 70 -6.171 -7.106 -40.248 1.00 64.08 N ATOM 786 HA LYS A 70 -0.539 -7.291 -40.875 1.00 0.00 H ATOM 787 HB2 LYS A 70 -1.707 -9.463 -40.526 1.00 0.00 H ATOM 788 HB3 LYS A 70 -1.951 -9.024 -38.820 1.00 0.00 H ATOM 789 HG2 LYS A 70 -3.099 -7.051 -40.629 1.00 0.00 H ATOM 790 HG3 LYS A 70 -3.743 -8.685 -40.908 1.00 0.00 H ATOM 791 HD2 LYS A 70 -3.860 -8.674 -38.235 1.00 0.00 H ATOM 792 HD3 LYS A 70 -3.951 -6.917 -38.500 1.00 0.00 H ATOM 793 HE2 LYS A 70 -6.164 -7.783 -38.261 1.00 0.00 H ATOM 794 HE3 LYS A 70 -5.864 -9.038 -39.485 1.00 0.00 H ATOM 795 HZ1 LYS A 70 -5.985 -6.118 -39.980 1.00 0.00 H ATOM 796 HZ2 LYS A 70 -5.698 -7.317 -41.150 1.00 0.00 H ATOM 797 HZ3 LYS A 70 -7.196 -7.252 -40.350 1.00 0.00 H ATOM 798 H LYS A 70 0.454 -9.486 -39.144 1.00 0.00 H ATOM 799 N GLN A 71 -0.684 -6.856 -37.591 1.00 58.04 N ATOM 800 CA GLN A 71 -0.636 -5.850 -36.532 1.00 55.26 C ATOM 801 C GLN A 71 0.588 -6.130 -35.639 1.00 51.51 C ATOM 802 O GLN A 71 0.629 -7.148 -34.893 1.00 46.41 O ATOM 803 CB GLN A 71 -1.938 -5.862 -35.722 1.00 61.68 C ATOM 804 CG GLN A 71 -3.217 -5.554 -36.503 1.00 65.15 C ATOM 805 CD GLN A 71 -3.095 -4.357 -37.453 1.00 73.06 C ATOM 806 OE1 GLN A 71 -2.337 -3.411 -37.199 1.00 76.01 O ATOM 807 NE2 GLN A 71 -3.855 -4.393 -38.556 1.00 68.76 N ATOM 808 HA GLN A 71 -0.537 -4.855 -36.966 1.00 0.00 H ATOM 809 HB2 GLN A 71 -2.047 -6.852 -35.280 1.00 0.00 H ATOM 810 HB3 GLN A 71 -1.844 -5.120 -34.929 1.00 0.00 H ATOM 811 HG2 GLN A 71 -3.480 -6.433 -37.091 1.00 0.00 H ATOM 812 HG3 GLN A 71 -4.013 -5.345 -35.789 1.00 0.00 H ATOM 813 HE22 GLN A 71 -4.478 -5.207 -38.732 1.00 0.00 H ATOM 814 HE21 GLN A 71 -3.822 -3.607 -39.236 1.00 0.00 H ATOM 815 H GLN A 71 -0.748 -7.858 -37.319 1.00 0.00 H ATOM 816 N GLN A 72 1.603 -5.260 -35.738 1.00 45.14 N ATOM 817 CA GLN A 72 2.911 -5.605 -35.151 1.00 39.91 C ATOM 818 C GLN A 72 3.044 -5.110 -33.711 1.00 37.23 C ATOM 819 O GLN A 72 4.042 -5.360 -33.037 1.00 39.72 O ATOM 820 CB GLN A 72 4.093 -5.104 -35.977 1.00 39.00 C ATOM 821 CG GLN A 72 3.937 -5.146 -37.480 1.00 43.25 C ATOM 822 CD GLN A 72 5.023 -4.339 -38.203 1.00 45.37 C ATOM 823 OE1 GLN A 72 5.801 -4.890 -38.996 1.00 46.13 O ATOM 824 NE2 GLN A 72 5.085 -3.031 -37.926 1.00 43.60 N ATOM 825 HA GLN A 72 2.943 -6.695 -35.155 1.00 0.00 H ATOM 826 HB2 GLN A 72 4.280 -4.068 -35.693 1.00 0.00 H ATOM 827 HB3 GLN A 72 4.959 -5.712 -35.717 1.00 0.00 H ATOM 828 HG2 GLN A 72 3.994 -6.184 -37.809 1.00 0.00 H ATOM 829 HG3 GLN A 72 2.962 -4.735 -37.743 1.00 0.00 H ATOM 830 HE22 GLN A 72 4.412 -2.609 -37.254 1.00 0.00 H ATOM 831 HE21 GLN A 72 5.806 -2.436 -38.383 1.00 0.00 H ATOM 832 H GLN A 72 1.469 -4.350 -36.224 1.00 0.00 H ATOM 833 N HIS A 73 2.038 -4.412 -33.223 1.00 33.40 N ATOM 834 CA HIS A 73 2.078 -3.993 -31.850 1.00 29.03 C ATOM 835 C HIS A 73 1.563 -5.082 -30.933 1.00 25.45 C ATOM 836 O HIS A 73 1.833 -5.050 -29.738 1.00 23.42 O ATOM 837 CB HIS A 73 1.355 -2.657 -31.682 1.00 31.17 C ATOM 838 CG HIS A 73 -0.062 -2.691 -32.146 1.00 35.86 C ATOM 839 ND1 HIS A 73 -0.399 -2.557 -33.451 1.00 40.41 N ATOM 840 CD2 HIS A 73 -1.250 -2.904 -31.446 1.00 35.96 C ATOM 841 CE1 HIS A 73 -1.742 -2.651 -33.575 1.00 39.85 C ATOM 842 NE2 HIS A 73 -2.260 -2.873 -32.347 1.00 37.99 N ATOM 843 HA HIS A 73 3.113 -3.824 -31.554 1.00 0.00 H ATOM 844 HB2 HIS A 73 1.367 -2.387 -30.626 1.00 0.00 H ATOM 845 HB3 HIS A 73 1.889 -1.900 -32.256 1.00 0.00 H ATOM 846 HD2 HIS A 73 -1.347 -3.065 -30.372 1.00 0.00 H ATOM 847 HE1 HIS A 73 -2.308 -2.563 -34.503 1.00 0.00 H ATOM 848 H HIS A 73 1.226 -4.168 -33.825 1.00 0.00 H ATOM 849 N ILE A 74 0.857 -6.083 -31.471 1.00 23.47 N ATOM 850 CA ILE A 74 0.528 -7.272 -30.680 1.00 20.73 C ATOM 851 C ILE A 74 1.593 -8.348 -30.780 1.00 19.78 C ATOM 852 O ILE A 74 2.031 -8.734 -31.865 1.00 22.72 O ATOM 853 CB ILE A 74 -0.873 -7.885 -30.982 1.00 20.77 C ATOM 854 CG1 ILE A 74 -2.004 -6.948 -30.604 1.00 20.31 C ATOM 855 CG2 ILE A 74 -1.108 -9.175 -30.200 1.00 20.99 C ATOM 856 CD1 ILE A 74 -2.676 -6.344 -31.822 1.00 22.60 C ATOM 857 HA ILE A 74 0.493 -6.899 -29.656 1.00 0.00 H ATOM 858 HB ILE A 74 -0.872 -8.072 -32.056 1.00 0.00 H ATOM 859 HG12 ILE A 74 -2.746 -7.505 -30.033 1.00 0.00 H ATOM 860 HG13 ILE A 74 -1.603 -6.143 -29.988 1.00 0.00 H ATOM 861 HD11 ILE A 74 -1.943 -5.778 -32.396 1.00 0.00 H ATOM 862 HD12 ILE A 74 -3.087 -7.141 -32.441 1.00 0.00 H ATOM 863 HD13 ILE A 74 -3.479 -5.681 -31.501 1.00 0.00 H ATOM 864 HG21 ILE A 74 -0.348 -9.907 -30.472 1.00 0.00 H ATOM 865 HG22 ILE A 74 -1.048 -8.967 -29.132 1.00 0.00 H ATOM 866 HG23 ILE A 74 -2.096 -9.569 -30.440 1.00 0.00 H ATOM 867 H ILE A 74 0.539 -6.017 -32.459 1.00 0.00 H ATOM 868 N VAL A 75 1.971 -8.839 -29.619 1.00 18.55 N ATOM 869 CA VAL A 75 2.878 -9.927 -29.463 1.00 18.21 C ATOM 870 C VAL A 75 1.967 -11.078 -29.131 1.00 18.95 C ATOM 871 O VAL A 75 1.200 -10.983 -28.175 1.00 18.72 O ATOM 872 CB VAL A 75 3.788 -9.710 -28.215 1.00 17.23 C ATOM 873 CG1 VAL A 75 4.638 -10.930 -27.923 1.00 16.77 C ATOM 874 CG2 VAL A 75 4.682 -8.500 -28.386 1.00 16.83 C ATOM 875 HA VAL A 75 3.512 -10.060 -30.340 1.00 0.00 H ATOM 876 HB VAL A 75 3.121 -9.540 -27.370 1.00 0.00 H ATOM 877 HG11 VAL A 75 3.990 -11.785 -27.732 1.00 0.00 H ATOM 878 HG12 VAL A 75 5.276 -11.141 -28.781 1.00 0.00 H ATOM 879 HG13 VAL A 75 5.257 -10.738 -27.047 1.00 0.00 H ATOM 880 HG21 VAL A 75 5.319 -8.641 -29.259 1.00 0.00 H ATOM 881 HG22 VAL A 75 4.066 -7.611 -28.524 1.00 0.00 H ATOM 882 HG23 VAL A 75 5.302 -8.379 -27.498 1.00 0.00 H ATOM 883 H VAL A 75 1.582 -8.404 -28.758 1.00 0.00 H ATOM 884 N TYR A 76 2.079 -12.175 -29.885 1.00 19.93 N ATOM 885 CA TYR A 76 1.478 -13.476 -29.506 1.00 19.24 C ATOM 886 C TYR A 76 2.489 -14.418 -28.857 1.00 19.17 C ATOM 887 O TYR A 76 3.379 -14.940 -29.536 1.00 19.44 O ATOM 888 CB TYR A 76 0.800 -14.147 -30.722 1.00 19.19 C ATOM 889 CG TYR A 76 -0.264 -13.287 -31.349 1.00 19.39 C ATOM 890 CD1 TYR A 76 -1.556 -13.251 -30.827 1.00 20.37 C ATOM 891 CD2 TYR A 76 0.028 -12.468 -32.427 1.00 20.46 C ATOM 892 CE1 TYR A 76 -2.541 -12.430 -31.356 1.00 20.31 C ATOM 893 CE2 TYR A 76 -0.944 -11.646 -32.980 1.00 22.35 C ATOM 894 CZ TYR A 76 -2.228 -11.625 -32.444 1.00 21.69 C ATOM 895 OH TYR A 76 -3.179 -10.784 -33.010 1.00 21.22 O ATOM 896 HA TYR A 76 0.715 -13.265 -28.757 1.00 0.00 H ATOM 897 HB3 TYR A 76 0.344 -15.081 -30.394 1.00 0.00 H ATOM 898 HB2 TYR A 76 1.562 -14.360 -31.472 1.00 0.00 H ATOM 899 HD2 TYR A 76 1.034 -12.469 -32.846 1.00 0.00 H ATOM 900 HE2 TYR A 76 -0.701 -11.016 -33.836 1.00 0.00 H ATOM 901 HE1 TYR A 76 -3.542 -12.417 -30.926 1.00 0.00 H ATOM 902 HD1 TYR A 76 -1.800 -13.888 -29.977 1.00 0.00 H ATOM 903 HH TYR A 76 -4.035 -10.881 -32.523 1.00 0.00 H ATOM 904 H TYR A 76 2.611 -12.114 -30.777 1.00 0.00 H ATOM 905 N CYS A 77 2.323 -14.655 -27.558 1.00 19.43 N ATOM 906 CA CYS A 77 3.126 -15.635 -26.790 1.00 20.94 C ATOM 907 C CYS A 77 2.418 -16.986 -26.386 1.00 23.46 C ATOM 908 O CYS A 77 2.937 -17.738 -25.514 1.00 22.62 O ATOM 909 CB CYS A 77 3.643 -14.962 -25.532 1.00 20.67 C ATOM 910 SG CYS A 77 2.532 -13.657 -24.943 1.00 21.69 S ATOM 911 HA CYS A 77 3.915 -15.937 -27.478 1.00 0.00 H ATOM 912 HB2 CYS A 77 4.618 -14.523 -25.744 1.00 0.00 H ATOM 913 HB3 CYS A 77 3.747 -15.714 -24.750 1.00 0.00 H ATOM 914 HG CYS A 77 3.058 -13.088 -23.801 1.00 0.00 H ATOM 915 H CYS A 77 1.587 -14.121 -27.053 1.00 0.00 H ATOM 916 N SER A 78 1.291 -17.293 -27.050 1.00 24.09 N ATOM 917 CA SER A 78 0.394 -18.410 -26.741 1.00 25.88 C ATOM 918 C SER A 78 1.019 -19.782 -26.441 1.00 27.70 C ATOM 919 O SER A 78 0.562 -20.474 -25.531 1.00 29.28 O ATOM 920 CB SER A 78 -0.653 -18.592 -27.852 1.00 27.66 C ATOM 921 OG SER A 78 -1.747 -17.681 -27.756 1.00 30.54 O ATOM 922 HA SER A 78 -0.039 -18.091 -25.793 1.00 0.00 H ATOM 923 HB2 SER A 78 -1.043 -19.608 -27.796 1.00 0.00 H ATOM 924 HB3 SER A 78 -0.164 -18.445 -28.815 1.00 0.00 H ATOM 925 HG SER A 78 -1.408 -16.753 -27.816 1.00 0.00 H ATOM 926 H SER A 78 1.033 -16.685 -27.853 1.00 0.00 H ATOM 927 N ASN A 79 2.000 -20.235 -27.206 1.00 26.61 N ATOM 928 CA ASN A 79 2.441 -21.603 -26.943 1.00 25.84 C ATOM 929 C ASN A 79 3.917 -21.518 -26.637 1.00 27.19 C ATOM 930 O ASN A 79 4.738 -22.234 -27.204 1.00 26.92 O ATOM 931 CB ASN A 79 2.130 -22.542 -28.135 1.00 25.25 C ATOM 932 CG ASN A 79 0.656 -22.564 -28.506 1.00 23.86 C ATOM 933 OD1 ASN A 79 -0.127 -23.168 -27.825 1.00 24.61 O ATOM 934 ND2 ASN A 79 0.286 -21.913 -29.600 1.00 23.84 N ATOM 935 HA ASN A 79 1.905 -22.039 -26.100 1.00 0.00 H ATOM 936 HB2 ASN A 79 2.701 -22.206 -29.000 1.00 0.00 H ATOM 937 HB3 ASN A 79 2.437 -23.554 -27.870 1.00 0.00 H ATOM 938 HD22 ASN A 79 0.993 -21.401 -30.165 1.00 0.00 H ATOM 939 HD21 ASN A 79 -0.712 -21.915 -29.894 1.00 0.00 H ATOM 940 H ASN A 79 2.432 -19.651 -27.951 1.00 0.00 H ATOM 941 N ASP A 80 4.254 -20.603 -25.740 1.00 27.13 N ATOM 942 CA ASP A 80 5.629 -20.237 -25.540 1.00 26.17 C ATOM 943 C ASP A 80 5.868 -19.900 -24.088 1.00 26.61 C ATOM 944 O ASP A 80 4.969 -19.330 -23.396 1.00 24.84 O ATOM 945 CB ASP A 80 5.960 -19.021 -26.414 1.00 27.65 C ATOM 946 CG ASP A 80 7.411 -18.573 -26.277 1.00 30.08 C ATOM 947 OD1 ASP A 80 8.056 -18.288 -27.328 1.00 30.66 O ATOM 948 OD2 ASP A 80 7.925 -18.545 -25.123 1.00 30.47 O ATOM 949 HA ASP A 80 6.270 -21.074 -25.818 1.00 0.00 H ATOM 950 HB2 ASP A 80 5.772 -19.279 -27.456 1.00 0.00 H ATOM 951 HB3 ASP A 80 5.311 -18.195 -26.123 1.00 0.00 H ATOM 952 H ASP A 80 3.513 -20.143 -25.173 1.00 0.00 H ATOM 953 N LEU A 81 7.102 -20.209 -23.661 1.00 25.60 N ATOM 954 CA LEU A 81 7.588 -19.872 -22.323 1.00 24.11 C ATOM 955 C LEU A 81 7.267 -18.437 -21.916 1.00 23.90 C ATOM 956 O LEU A 81 7.006 -18.178 -20.752 1.00 25.47 O ATOM 957 CB LEU A 81 9.102 -20.106 -22.181 1.00 22.30 C ATOM 958 CG LEU A 81 9.603 -19.623 -20.804 1.00 20.62 C ATOM 959 CD1 LEU A 81 8.964 -20.382 -19.655 1.00 20.87 C ATOM 960 CD2 LEU A 81 11.105 -19.674 -20.690 1.00 20.58 C ATOM 961 HA LEU A 81 7.055 -20.546 -21.652 1.00 0.00 H ATOM 962 HB2 LEU A 81 9.311 -21.171 -22.284 1.00 0.00 H ATOM 963 HB3 LEU A 81 9.624 -19.557 -22.965 1.00 0.00 H ATOM 964 HG LEU A 81 9.294 -18.580 -20.730 1.00 0.00 H ATOM 965 HD21 LEU A 81 11.444 -20.700 -20.832 1.00 0.00 H ATOM 966 HD22 LEU A 81 11.548 -19.035 -21.454 1.00 0.00 H ATOM 967 HD23 LEU A 81 11.405 -19.324 -19.702 1.00 0.00 H ATOM 968 HD11 LEU A 81 7.883 -20.245 -19.687 1.00 0.00 H ATOM 969 HD12 LEU A 81 9.200 -21.442 -19.746 1.00 0.00 H ATOM 970 HD13 LEU A 81 9.352 -20.002 -18.710 1.00 0.00 H ATOM 971 H LEU A 81 7.741 -20.710 -24.310 1.00 0.00 H ATOM 972 N LEU A 82 7.321 -17.492 -22.846 1.00 22.43 N ATOM 973 CA LEU A 82 6.987 -16.102 -22.483 1.00 21.56 C ATOM 974 C LEU A 82 5.556 -16.007 -21.959 1.00 21.90 C ATOM 975 O LEU A 82 5.374 -15.641 -20.799 1.00 20.97 O ATOM 976 CB LEU A 82 7.198 -15.120 -23.647 1.00 20.82 C ATOM 977 CG LEU A 82 6.925 -13.673 -23.249 1.00 20.16 C ATOM 978 CD1 LEU A 82 7.895 -13.193 -22.155 1.00 19.84 C ATOM 979 CD2 LEU A 82 6.871 -12.736 -24.458 1.00 19.16 C ATOM 980 HA LEU A 82 7.676 -15.812 -21.690 1.00 0.00 H ATOM 981 HB2 LEU A 82 8.230 -15.200 -23.989 1.00 0.00 H ATOM 982 HB3 LEU A 82 6.525 -15.392 -24.460 1.00 0.00 H ATOM 983 HG LEU A 82 5.927 -13.641 -22.811 1.00 0.00 H ATOM 984 HD21 LEU A 82 7.826 -12.767 -24.983 1.00 0.00 H ATOM 985 HD22 LEU A 82 6.075 -13.057 -25.130 1.00 0.00 H ATOM 986 HD23 LEU A 82 6.674 -11.719 -24.119 1.00 0.00 H ATOM 987 HD11 LEU A 82 7.783 -13.820 -21.271 1.00 0.00 H ATOM 988 HD12 LEU A 82 8.919 -13.262 -22.523 1.00 0.00 H ATOM 989 HD13 LEU A 82 7.668 -12.158 -21.899 1.00 0.00 H ATOM 990 H LEU A 82 7.596 -17.729 -23.821 1.00 0.00 H ATOM 991 N GLY A 83 4.564 -16.349 -22.807 1.00 21.81 N ATOM 992 CA GLY A 83 3.169 -16.590 -22.365 1.00 22.03 C ATOM 993 C GLY A 83 2.967 -17.309 -21.020 1.00 21.75 C ATOM 994 O GLY A 83 2.140 -16.881 -20.199 1.00 20.45 O ATOM 995 HA3 GLY A 83 2.681 -17.190 -23.133 1.00 0.00 H ATOM 996 HA2 GLY A 83 2.676 -15.621 -22.295 1.00 0.00 H ATOM 997 H GLY A 83 4.788 -16.448 -23.818 1.00 0.00 H ATOM 998 N ASP A 84 3.731 -18.382 -20.790 1.00 21.51 N ATOM 999 CA ASP A 84 3.705 -19.058 -19.508 1.00 22.26 C ATOM 1000 C ASP A 84 3.918 -18.082 -18.388 1.00 23.28 C ATOM 1001 O ASP A 84 3.028 -17.872 -17.574 1.00 26.06 O ATOM 1002 CB ASP A 84 4.716 -20.183 -19.452 1.00 22.92 C ATOM 1003 CG ASP A 84 4.376 -21.307 -20.426 1.00 25.87 C ATOM 1004 OD1 ASP A 84 3.214 -21.375 -20.886 1.00 26.10 O ATOM 1005 OD2 ASP A 84 5.269 -22.124 -20.770 1.00 28.34 O ATOM 1006 HA ASP A 84 2.718 -19.503 -19.387 1.00 0.00 H ATOM 1007 HB2 ASP A 84 5.699 -19.785 -19.703 1.00 0.00 H ATOM 1008 HB3 ASP A 84 4.736 -20.588 -18.440 1.00 0.00 H ATOM 1009 H ASP A 84 4.354 -18.737 -21.543 1.00 0.00 H ATOM 1010 N LEU A 85 5.068 -17.429 -18.422 1.00 23.66 N ATOM 1011 CA LEU A 85 5.536 -16.457 -17.424 1.00 22.84 C ATOM 1012 C LEU A 85 4.649 -15.270 -17.166 1.00 21.33 C ATOM 1013 O LEU A 85 4.588 -14.779 -16.060 1.00 20.96 O ATOM 1014 CB LEU A 85 6.843 -15.876 -17.928 1.00 23.25 C ATOM 1015 CG LEU A 85 7.984 -16.738 -17.511 1.00 24.02 C ATOM 1016 CD1 LEU A 85 8.987 -16.653 -18.631 1.00 25.54 C ATOM 1017 CD2 LEU A 85 8.501 -16.191 -16.198 1.00 25.04 C ATOM 1018 HA LEU A 85 5.587 -17.023 -16.494 1.00 0.00 H ATOM 1019 HB2 LEU A 85 6.815 -15.817 -19.016 1.00 0.00 H ATOM 1020 HB3 LEU A 85 6.976 -14.877 -17.514 1.00 0.00 H ATOM 1021 HG LEU A 85 7.730 -17.785 -17.347 1.00 0.00 H ATOM 1022 HD21 LEU A 85 8.829 -15.161 -16.339 1.00 0.00 H ATOM 1023 HD22 LEU A 85 7.705 -16.222 -15.454 1.00 0.00 H ATOM 1024 HD23 LEU A 85 9.340 -16.798 -15.858 1.00 0.00 H ATOM 1025 HD11 LEU A 85 8.532 -17.015 -19.553 1.00 0.00 H ATOM 1026 HD12 LEU A 85 9.298 -15.616 -18.760 1.00 0.00 H ATOM 1027 HD13 LEU A 85 9.854 -17.267 -18.388 1.00 0.00 H ATOM 1028 H LEU A 85 5.697 -17.621 -19.227 1.00 0.00 H ATOM 1029 N PHE A 86 4.041 -14.766 -18.219 1.00 20.72 N ATOM 1030 CA PHE A 86 3.256 -13.586 -18.126 1.00 22.04 C ATOM 1031 C PHE A 86 1.843 -13.993 -17.885 1.00 25.36 C ATOM 1032 O PHE A 86 1.011 -13.125 -17.643 1.00 30.22 O ATOM 1033 CB PHE A 86 3.327 -12.808 -19.431 1.00 20.08 C ATOM 1034 CG PHE A 86 4.513 -11.906 -19.512 1.00 19.75 C ATOM 1035 CD1 PHE A 86 5.629 -12.115 -18.666 1.00 18.41 C ATOM 1036 CD2 PHE A 86 4.547 -10.846 -20.429 1.00 18.89 C ATOM 1037 CE1 PHE A 86 6.722 -11.279 -18.727 1.00 17.59 C ATOM 1038 CE2 PHE A 86 5.661 -10.012 -20.489 1.00 17.86 C ATOM 1039 CZ PHE A 86 6.739 -10.238 -19.635 1.00 17.46 C ATOM 1040 HA PHE A 86 3.627 -12.957 -17.317 1.00 0.00 H ATOM 1041 HB2 PHE A 86 3.374 -13.518 -20.256 1.00 0.00 H ATOM 1042 HB3 PHE A 86 2.425 -12.204 -19.524 1.00 0.00 H ATOM 1043 HD2 PHE A 86 3.701 -10.674 -21.095 1.00 0.00 H ATOM 1044 HE2 PHE A 86 5.690 -9.187 -21.200 1.00 0.00 H ATOM 1045 HZ PHE A 86 7.609 -9.583 -19.684 1.00 0.00 H ATOM 1046 HE1 PHE A 86 7.570 -11.438 -18.061 1.00 0.00 H ATOM 1047 HD1 PHE A 86 5.623 -12.945 -17.960 1.00 0.00 H ATOM 1048 H PHE A 86 4.137 -15.242 -19.139 1.00 0.00 H ATOM 1049 N GLY A 87 1.554 -15.295 -17.971 1.00 25.13 N ATOM 1050 CA GLY A 87 0.162 -15.778 -17.881 1.00 24.15 C ATOM 1051 C GLY A 87 -0.834 -15.189 -18.898 1.00 23.69 C ATOM 1052 O GLY A 87 -1.973 -14.898 -18.544 1.00 23.48 O ATOM 1053 HA3 GLY A 87 -0.206 -15.545 -16.882 1.00 0.00 H ATOM 1054 HA2 GLY A 87 0.176 -16.859 -18.018 1.00 0.00 H ATOM 1055 H GLY A 87 2.324 -15.981 -18.104 1.00 0.00 H ATOM 1056 N VAL A 88 -0.419 -14.984 -20.149 1.00 22.45 N ATOM 1057 CA VAL A 88 -1.372 -14.591 -21.187 1.00 21.30 C ATOM 1058 C VAL A 88 -1.081 -15.258 -22.517 1.00 21.77 C ATOM 1059 O VAL A 88 0.034 -15.835 -22.719 1.00 19.90 O ATOM 1060 CB VAL A 88 -1.461 -13.056 -21.424 1.00 21.80 C ATOM 1061 CG1 VAL A 88 -1.690 -12.317 -20.104 1.00 21.36 C ATOM 1062 CG2 VAL A 88 -0.227 -12.505 -22.159 1.00 21.30 C ATOM 1063 HA VAL A 88 -2.331 -14.930 -20.796 1.00 0.00 H ATOM 1064 HB VAL A 88 -2.319 -12.880 -22.073 1.00 0.00 H ATOM 1065 HG11 VAL A 88 -2.622 -12.659 -19.654 1.00 0.00 H ATOM 1066 HG12 VAL A 88 -0.862 -12.522 -19.426 1.00 0.00 H ATOM 1067 HG13 VAL A 88 -1.749 -11.245 -20.294 1.00 0.00 H ATOM 1068 HG21 VAL A 88 0.666 -12.704 -21.567 1.00 0.00 H ATOM 1069 HG22 VAL A 88 -0.137 -12.992 -23.130 1.00 0.00 H ATOM 1070 HG23 VAL A 88 -0.339 -11.430 -22.299 1.00 0.00 H ATOM 1071 H VAL A 88 0.586 -15.104 -20.387 1.00 0.00 H ATOM 1072 N PRO A 89 -2.085 -15.179 -23.437 1.00 22.05 N ATOM 1073 CA PRO A 89 -1.865 -15.542 -24.821 1.00 21.65 C ATOM 1074 C PRO A 89 -1.276 -14.402 -25.672 1.00 20.38 C ATOM 1075 O PRO A 89 -0.730 -14.657 -26.730 1.00 21.89 O ATOM 1076 CB PRO A 89 -3.287 -15.919 -25.300 1.00 21.23 C ATOM 1077 CG PRO A 89 -4.188 -15.028 -24.567 1.00 20.84 C ATOM 1078 CD PRO A 89 -3.527 -14.919 -23.194 1.00 22.92 C ATOM 1079 HA PRO A 89 -1.130 -16.340 -24.921 1.00 0.00 H ATOM 1080 HD3 PRO A 89 -3.672 -13.922 -22.777 1.00 0.00 H ATOM 1081 HD2 PRO A 89 -3.940 -15.661 -22.510 1.00 0.00 H ATOM 1082 HG3 PRO A 89 -5.186 -15.459 -24.488 1.00 0.00 H ATOM 1083 HG2 PRO A 89 -4.252 -14.053 -25.049 1.00 0.00 H ATOM 1084 HB2 PRO A 89 -3.383 -15.761 -26.374 1.00 0.00 H ATOM 1085 HB3 PRO A 89 -3.506 -16.961 -25.066 1.00 0.00 H ATOM 1086 N SER A 90 -1.404 -13.159 -25.242 1.00 18.49 N ATOM 1087 CA SER A 90 -1.041 -12.098 -26.113 1.00 17.51 C ATOM 1088 C SER A 90 -1.250 -10.775 -25.426 1.00 18.05 C ATOM 1089 O SER A 90 -1.984 -10.680 -24.446 1.00 19.52 O ATOM 1090 CB SER A 90 -1.863 -12.192 -27.399 1.00 17.75 C ATOM 1091 OG SER A 90 -3.151 -11.623 -27.284 1.00 17.46 O ATOM 1092 HA SER A 90 0.015 -12.177 -26.372 1.00 0.00 H ATOM 1093 HB2 SER A 90 -1.972 -13.244 -27.664 1.00 0.00 H ATOM 1094 HB3 SER A 90 -1.325 -11.673 -28.192 1.00 0.00 H ATOM 1095 HG SER A 90 -3.630 -11.716 -28.146 1.00 0.00 H ATOM 1096 H SER A 90 -1.763 -12.962 -24.286 1.00 0.00 H ATOM 1097 N PHE A 91 -0.591 -9.742 -25.939 1.00 17.70 N ATOM 1098 CA PHE A 91 -0.599 -8.451 -25.314 1.00 17.09 C ATOM 1099 C PHE A 91 0.023 -7.434 -26.196 1.00 17.15 C ATOM 1100 O PHE A 91 0.815 -7.745 -27.026 1.00 18.43 O ATOM 1101 CB PHE A 91 0.167 -8.498 -24.028 1.00 17.45 C ATOM 1102 CG PHE A 91 1.630 -8.707 -24.190 1.00 17.93 C ATOM 1103 CD1 PHE A 91 2.493 -7.617 -24.287 1.00 18.20 C ATOM 1104 CD2 PHE A 91 2.170 -9.984 -24.157 1.00 18.94 C ATOM 1105 CE1 PHE A 91 3.869 -7.795 -24.393 1.00 17.98 C ATOM 1106 CE2 PHE A 91 3.558 -10.168 -24.259 1.00 20.00 C ATOM 1107 CZ PHE A 91 4.411 -9.066 -24.376 1.00 18.25 C ATOM 1108 HA PHE A 91 -1.637 -8.179 -25.124 1.00 0.00 H ATOM 1109 HB2 PHE A 91 0.013 -7.554 -23.505 1.00 0.00 H ATOM 1110 HB3 PHE A 91 -0.229 -9.315 -23.425 1.00 0.00 H ATOM 1111 HD2 PHE A 91 1.514 -10.848 -24.051 1.00 0.00 H ATOM 1112 HE2 PHE A 91 3.973 -11.176 -24.247 1.00 0.00 H ATOM 1113 HZ PHE A 91 5.489 -9.208 -24.453 1.00 0.00 H ATOM 1114 HE1 PHE A 91 4.522 -6.928 -24.490 1.00 0.00 H ATOM 1115 HD1 PHE A 91 2.083 -6.607 -24.280 1.00 0.00 H ATOM 1116 H PHE A 91 -0.053 -9.873 -26.820 1.00 0.00 H ATOM 1117 N SER A 92 -0.342 -6.198 -25.990 1.00 17.05 N ATOM 1118 CA SER A 92 0.064 -5.144 -26.843 1.00 17.56 C ATOM 1119 C SER A 92 1.199 -4.368 -26.163 1.00 18.97 C ATOM 1120 O SER A 92 1.124 -4.028 -24.953 1.00 18.52 O ATOM 1121 CB SER A 92 -1.132 -4.218 -27.095 1.00 17.40 C ATOM 1122 OG SER A 92 -0.732 -2.971 -27.661 1.00 17.93 O ATOM 1123 HA SER A 92 0.417 -5.539 -27.796 1.00 0.00 H ATOM 1124 HB2 SER A 92 -1.637 -4.029 -26.148 1.00 0.00 H ATOM 1125 HB3 SER A 92 -1.821 -4.711 -27.781 1.00 0.00 H ATOM 1126 HG SER A 92 -1.531 -2.405 -27.807 1.00 0.00 H ATOM 1127 H SER A 92 -0.950 -5.981 -25.174 1.00 0.00 H ATOM 1128 N VAL A 93 2.230 -4.069 -26.962 1.00 19.74 N ATOM 1129 CA VAL A 93 3.375 -3.276 -26.532 1.00 19.23 C ATOM 1130 C VAL A 93 2.985 -1.858 -26.159 1.00 19.81 C ATOM 1131 O VAL A 93 3.764 -1.158 -25.550 1.00 20.16 O ATOM 1132 CB VAL A 93 4.531 -3.262 -27.571 1.00 18.93 C ATOM 1133 CG1 VAL A 93 5.089 -4.657 -27.794 1.00 19.19 C ATOM 1134 CG2 VAL A 93 4.111 -2.631 -28.881 1.00 18.77 C ATOM 1135 HA VAL A 93 3.748 -3.774 -25.637 1.00 0.00 H ATOM 1136 HB VAL A 93 5.325 -2.642 -27.154 1.00 0.00 H ATOM 1137 HG11 VAL A 93 5.473 -5.048 -26.852 1.00 0.00 H ATOM 1138 HG12 VAL A 93 4.297 -5.309 -28.164 1.00 0.00 H ATOM 1139 HG13 VAL A 93 5.895 -4.612 -28.526 1.00 0.00 H ATOM 1140 HG21 VAL A 93 3.280 -3.195 -29.304 1.00 0.00 H ATOM 1141 HG22 VAL A 93 3.800 -1.601 -28.704 1.00 0.00 H ATOM 1142 HG23 VAL A 93 4.951 -2.644 -29.575 1.00 0.00 H ATOM 1143 H VAL A 93 2.213 -4.421 -27.941 1.00 0.00 H ATOM 1144 N LYS A 94 1.784 -1.420 -26.513 1.00 21.75 N ATOM 1145 CA LYS A 94 1.348 -0.064 -26.147 1.00 22.54 C ATOM 1146 C LYS A 94 0.794 -0.030 -24.718 1.00 22.21 C ATOM 1147 O LYS A 94 0.194 0.934 -24.300 1.00 24.00 O ATOM 1148 CB LYS A 94 0.286 0.429 -27.140 1.00 25.90 C ATOM 1149 CG LYS A 94 0.759 0.819 -28.553 1.00 29.39 C ATOM 1150 CD LYS A 94 -0.476 1.177 -29.387 1.00 34.28 C ATOM 1151 CE LYS A 94 -0.172 2.149 -30.528 1.00 38.61 C ATOM 1152 NZ LYS A 94 0.658 1.478 -31.565 1.00 38.71 N ATOM 1153 HA LYS A 94 2.213 0.598 -26.189 1.00 0.00 H ATOM 1154 HB2 LYS A 94 -0.452 -0.366 -27.250 1.00 0.00 H ATOM 1155 HB3 LYS A 94 -0.189 1.306 -26.701 1.00 0.00 H ATOM 1156 HG2 LYS A 94 1.428 1.678 -28.495 1.00 0.00 H ATOM 1157 HG3 LYS A 94 1.284 -0.019 -29.011 1.00 0.00 H ATOM 1158 HD2 LYS A 94 -0.885 0.260 -29.812 1.00 0.00 H ATOM 1159 HD3 LYS A 94 -1.217 1.634 -28.731 1.00 0.00 H ATOM 1160 HE2 LYS A 94 0.369 3.010 -30.134 1.00 0.00 H ATOM 1161 HE3 LYS A 94 -1.108 2.483 -30.976 1.00 0.00 H ATOM 1162 HZ1 LYS A 94 1.552 1.160 -31.139 1.00 0.00 H ATOM 1163 HZ2 LYS A 94 0.142 0.658 -31.943 1.00 0.00 H ATOM 1164 HZ3 LYS A 94 0.858 2.148 -32.335 1.00 0.00 H ATOM 1165 H LYS A 94 1.147 -2.040 -27.053 1.00 0.00 H ATOM 1166 N GLU A 95 1.010 -1.079 -23.947 1.00 22.18 N ATOM 1167 CA GLU A 95 0.285 -1.250 -22.702 1.00 21.16 C ATOM 1168 C GLU A 95 1.196 -1.486 -21.504 1.00 17.93 C ATOM 1169 O GLU A 95 1.244 -2.567 -20.955 1.00 16.05 O ATOM 1170 CB GLU A 95 -0.678 -2.401 -22.872 1.00 24.78 C ATOM 1171 CG GLU A 95 -2.029 -1.952 -23.376 1.00 29.64 C ATOM 1172 CD GLU A 95 -3.100 -2.996 -23.093 1.00 36.69 C ATOM 1173 OE1 GLU A 95 -4.246 -2.554 -22.748 1.00 37.45 O ATOM 1174 OE2 GLU A 95 -2.781 -4.240 -23.190 1.00 36.73 O ATOM 1175 HA GLU A 95 -0.248 -0.324 -22.488 1.00 0.00 H ATOM 1176 HB2 GLU A 95 -0.256 -3.109 -23.585 1.00 0.00 H ATOM 1177 HB3 GLU A 95 -0.809 -2.893 -21.908 1.00 0.00 H ATOM 1178 HG2 GLU A 95 -2.301 -1.020 -22.880 1.00 0.00 H ATOM 1179 HG3 GLU A 95 -1.970 -1.786 -24.452 1.00 0.00 H ATOM 1180 H GLU A 95 1.709 -1.793 -24.236 1.00 0.00 H ATOM 1181 N HIS A 96 1.876 -0.428 -21.095 1.00 16.76 N ATOM 1182 CA HIS A 96 3.029 -0.520 -20.232 1.00 15.48 C ATOM 1183 C HIS A 96 2.682 -1.002 -18.836 1.00 14.83 C ATOM 1184 O HIS A 96 3.276 -1.966 -18.323 1.00 14.62 O ATOM 1185 CB HIS A 96 3.726 0.832 -20.230 1.00 15.69 C ATOM 1186 CG HIS A 96 4.264 1.273 -21.592 1.00 16.20 C ATOM 1187 ND1 HIS A 96 5.194 2.257 -21.724 1.00 16.71 N ATOM 1188 CD2 HIS A 96 3.993 0.836 -22.879 1.00 16.66 C ATOM 1189 CE1 HIS A 96 5.487 2.450 -23.021 1.00 15.72 C ATOM 1190 NE2 HIS A 96 4.753 1.595 -23.735 1.00 16.53 N ATOM 1191 HA HIS A 96 3.710 -1.279 -20.619 1.00 0.00 H ATOM 1192 HB2 HIS A 96 3.013 1.582 -19.887 1.00 0.00 H ATOM 1193 HB3 HIS A 96 4.563 0.782 -19.533 1.00 0.00 H ATOM 1194 HD2 HIS A 96 3.305 0.039 -23.160 1.00 0.00 H ATOM 1195 HE1 HIS A 96 6.197 3.175 -23.419 1.00 0.00 H ATOM 1196 H HIS A 96 1.566 0.513 -21.410 1.00 0.00 H ATOM 1197 N ARG A 97 1.709 -0.362 -18.204 1.00 14.33 N ATOM 1198 CA ARG A 97 1.294 -0.737 -16.881 1.00 14.30 C ATOM 1199 C ARG A 97 1.113 -2.233 -16.872 1.00 15.11 C ATOM 1200 O ARG A 97 1.672 -2.940 -16.032 1.00 15.71 O ATOM 1201 CB ARG A 97 -0.019 -0.051 -16.498 1.00 14.48 C ATOM 1202 CG ARG A 97 0.002 1.459 -16.434 1.00 15.58 C ATOM 1203 CD ARG A 97 -1.128 1.941 -15.565 1.00 17.76 C ATOM 1204 NE ARG A 97 -2.394 1.878 -16.292 1.00 21.85 N ATOM 1205 CZ ARG A 97 -2.859 2.857 -17.071 1.00 24.37 C ATOM 1206 NH1 ARG A 97 -2.152 4.008 -17.172 1.00 26.99 N ATOM 1207 NH2 ARG A 97 -4.022 2.710 -17.730 1.00 21.94 N ATOM 1208 HA ARG A 97 2.046 -0.428 -16.155 1.00 0.00 H ATOM 1209 HB2 ARG A 97 -0.771 -0.341 -17.232 1.00 0.00 H ATOM 1210 HB3 ARG A 97 -0.311 -0.420 -15.515 1.00 0.00 H ATOM 1211 HG2 ARG A 97 0.951 1.792 -16.014 1.00 0.00 H ATOM 1212 HG3 ARG A 97 -0.112 1.867 -17.438 1.00 0.00 H ATOM 1213 HD2 ARG A 97 -0.937 2.971 -15.266 1.00 0.00 H ATOM 1214 HD3 ARG A 97 -1.192 1.312 -14.677 1.00 0.00 H ATOM 1215 HE ARG A 97 -2.969 1.016 -16.196 1.00 0.00 H ATOM 1216 HH12 ARG A 97 -2.500 4.781 -17.775 1.00 0.00 H ATOM 1217 HH11 ARG A 97 -1.261 4.119 -16.647 1.00 0.00 H ATOM 1218 HH22 ARG A 97 -4.377 3.478 -18.335 1.00 0.00 H ATOM 1219 HH21 ARG A 97 -4.566 1.829 -17.635 1.00 0.00 H ATOM 1220 H ARG A 97 1.234 0.432 -18.678 1.00 0.00 H ATOM 1221 N LYS A 98 0.326 -2.723 -17.817 1.00 16.48 N ATOM 1222 CA LYS A 98 0.003 -4.139 -17.899 1.00 17.70 C ATOM 1223 C LYS A 98 1.273 -5.016 -18.070 1.00 16.94 C ATOM 1224 O LYS A 98 1.378 -6.108 -17.490 1.00 16.99 O ATOM 1225 CB LYS A 98 -0.992 -4.324 -19.039 1.00 20.86 C ATOM 1226 CG LYS A 98 -1.894 -5.520 -18.880 1.00 25.89 C ATOM 1227 CD LYS A 98 -1.466 -6.659 -19.825 1.00 30.39 C ATOM 1228 CE LYS A 98 -2.668 -7.395 -20.452 1.00 34.12 C ATOM 1229 NZ LYS A 98 -2.599 -7.367 -21.947 1.00 33.67 N ATOM 1230 HA LYS A 98 -0.448 -4.474 -16.965 1.00 0.00 H ATOM 1231 HB2 LYS A 98 -1.614 -3.431 -19.099 1.00 0.00 H ATOM 1232 HB3 LYS A 98 -0.432 -4.438 -19.967 1.00 0.00 H ATOM 1233 HG2 LYS A 98 -1.843 -5.872 -17.850 1.00 0.00 H ATOM 1234 HG3 LYS A 98 -2.918 -5.229 -19.112 1.00 0.00 H ATOM 1235 HD2 LYS A 98 -0.858 -6.238 -20.626 1.00 0.00 H ATOM 1236 HD3 LYS A 98 -0.873 -7.378 -19.259 1.00 0.00 H ATOM 1237 HE2 LYS A 98 -3.590 -6.911 -20.129 1.00 0.00 H ATOM 1238 HE3 LYS A 98 -2.666 -8.432 -20.115 1.00 0.00 H ATOM 1239 HZ1 LYS A 98 -2.606 -6.380 -22.275 1.00 0.00 H ATOM 1240 HZ2 LYS A 98 -1.723 -7.832 -22.261 1.00 0.00 H ATOM 1241 HZ3 LYS A 98 -3.420 -7.870 -22.340 1.00 0.00 H ATOM 1242 H LYS A 98 -0.075 -2.074 -18.524 1.00 0.00 H ATOM 1243 N ILE A 99 2.243 -4.509 -18.842 1.00 15.07 N ATOM 1244 CA ILE A 99 3.556 -5.126 -18.999 1.00 13.94 C ATOM 1245 C ILE A 99 4.318 -5.167 -17.707 1.00 13.85 C ATOM 1246 O ILE A 99 4.869 -6.181 -17.351 1.00 13.97 O ATOM 1247 CB ILE A 99 4.407 -4.395 -20.069 1.00 13.29 C ATOM 1248 CG1 ILE A 99 3.690 -4.565 -21.416 1.00 12.83 C ATOM 1249 CG2 ILE A 99 5.867 -4.844 -20.057 1.00 12.03 C ATOM 1250 CD1 ILE A 99 4.526 -5.012 -22.563 1.00 12.12 C ATOM 1251 HA ILE A 99 3.371 -6.149 -19.327 1.00 0.00 H ATOM 1252 HB ILE A 99 4.480 -3.330 -19.851 1.00 0.00 H ATOM 1253 HG12 ILE A 99 2.897 -5.300 -21.278 1.00 0.00 H ATOM 1254 HG13 ILE A 99 3.251 -3.603 -21.681 1.00 0.00 H ATOM 1255 HD11 ILE A 99 5.320 -4.285 -22.738 1.00 0.00 H ATOM 1256 HD12 ILE A 99 4.965 -5.983 -22.334 1.00 0.00 H ATOM 1257 HD13 ILE A 99 3.904 -5.094 -23.454 1.00 0.00 H ATOM 1258 HG21 ILE A 99 6.302 -4.635 -19.080 1.00 0.00 H ATOM 1259 HG22 ILE A 99 5.918 -5.914 -20.258 1.00 0.00 H ATOM 1260 HG23 ILE A 99 6.419 -4.302 -20.825 1.00 0.00 H ATOM 1261 H ILE A 99 2.050 -3.627 -19.358 1.00 0.00 H ATOM 1262 N TYR A 100 4.397 -4.059 -17.008 1.00 13.78 N ATOM 1263 CA TYR A 100 5.192 -4.072 -15.806 1.00 13.73 C ATOM 1264 C TYR A 100 4.600 -4.942 -14.743 1.00 14.44 C ATOM 1265 O TYR A 100 5.328 -5.543 -13.952 1.00 15.60 O ATOM 1266 CB TYR A 100 5.322 -2.692 -15.307 1.00 13.80 C ATOM 1267 CG TYR A 100 6.298 -1.924 -16.103 1.00 14.06 C ATOM 1268 CD1 TYR A 100 5.939 -0.732 -16.751 1.00 14.53 C ATOM 1269 CD2 TYR A 100 7.598 -2.373 -16.204 1.00 13.83 C ATOM 1270 CE1 TYR A 100 6.882 -0.009 -17.483 1.00 15.00 C ATOM 1271 CE2 TYR A 100 8.546 -1.670 -16.910 1.00 14.31 C ATOM 1272 CZ TYR A 100 8.199 -0.498 -17.551 1.00 14.76 C ATOM 1273 OH TYR A 100 9.203 0.153 -18.221 1.00 14.84 O ATOM 1274 HA TYR A 100 6.170 -4.486 -16.051 1.00 0.00 H ATOM 1275 HB3 TYR A 100 5.653 -2.719 -14.269 1.00 0.00 H ATOM 1276 HB2 TYR A 100 4.351 -2.200 -15.365 1.00 0.00 H ATOM 1277 HD2 TYR A 100 7.880 -3.305 -15.714 1.00 0.00 H ATOM 1278 HE2 TYR A 100 9.571 -2.038 -16.963 1.00 0.00 H ATOM 1279 HE1 TYR A 100 6.604 0.914 -17.991 1.00 0.00 H ATOM 1280 HD1 TYR A 100 4.914 -0.367 -16.682 1.00 0.00 H ATOM 1281 HH TYR A 100 8.841 0.974 -18.639 1.00 0.00 H ATOM 1282 H TYR A 100 3.901 -3.197 -17.312 1.00 0.00 H ATOM 1283 N THR A 101 3.278 -5.031 -14.720 1.00 14.41 N ATOM 1284 CA THR A 101 2.611 -5.971 -13.822 1.00 14.32 C ATOM 1285 C THR A 101 3.087 -7.384 -14.179 1.00 14.05 C ATOM 1286 O THR A 101 3.529 -8.139 -13.317 1.00 14.60 O ATOM 1287 CB THR A 101 1.067 -5.835 -13.912 1.00 13.55 C ATOM 1288 OG1 THR A 101 0.741 -4.448 -13.917 1.00 13.01 O ATOM 1289 CG2 THR A 101 0.400 -6.467 -12.753 1.00 13.10 C ATOM 1290 HA THR A 101 2.871 -5.753 -12.786 1.00 0.00 H ATOM 1291 HB THR A 101 0.726 -6.332 -14.820 1.00 0.00 H ATOM 1292 HG1 THR A 101 1.167 -4.013 -14.697 1.00 0.00 H ATOM 1293 HG23 THR A 101 0.639 -7.530 -12.733 1.00 0.00 H ATOM 1294 HG21 THR A 101 0.750 -5.998 -11.834 1.00 0.00 H ATOM 1295 HG22 THR A 101 -0.679 -6.337 -12.841 1.00 0.00 H ATOM 1296 H THR A 101 2.710 -4.426 -15.347 1.00 0.00 H ATOM 1297 N MET A 102 3.049 -7.720 -15.453 1.00 13.63 N ATOM 1298 CA MET A 102 3.493 -9.041 -15.829 1.00 13.85 C ATOM 1299 C MET A 102 4.936 -9.325 -15.484 1.00 13.51 C ATOM 1300 O MET A 102 5.222 -10.361 -14.890 1.00 13.41 O ATOM 1301 CB MET A 102 3.210 -9.297 -17.276 1.00 14.59 C ATOM 1302 CG MET A 102 1.734 -9.574 -17.501 1.00 15.54 C ATOM 1303 SD MET A 102 1.236 -9.710 -19.217 1.00 15.13 S ATOM 1304 CE MET A 102 2.072 -8.280 -19.880 1.00 15.92 C ATOM 1305 HA MET A 102 2.915 -9.742 -15.227 1.00 0.00 H ATOM 1306 HB2 MET A 102 3.501 -8.422 -17.857 1.00 0.00 H ATOM 1307 HB3 MET A 102 3.789 -10.160 -17.606 1.00 0.00 H ATOM 1308 HG2 MET A 102 1.165 -8.762 -17.048 1.00 0.00 H ATOM 1309 HG3 MET A 102 1.487 -10.511 -17.003 1.00 0.00 H ATOM 1310 HE1 MET A 102 1.708 -7.383 -19.378 1.00 0.00 H ATOM 1311 HE2 MET A 102 3.145 -8.380 -19.716 1.00 0.00 H ATOM 1312 HE3 MET A 102 1.871 -8.207 -20.949 1.00 0.00 H ATOM 1313 H MET A 102 2.707 -7.049 -16.170 1.00 0.00 H ATOM 1314 N ILE A 103 5.833 -8.391 -15.794 1.00 13.39 N ATOM 1315 CA ILE A 103 7.242 -8.491 -15.376 1.00 13.41 C ATOM 1316 C ILE A 103 7.408 -8.661 -13.848 1.00 13.94 C ATOM 1317 O ILE A 103 8.181 -9.493 -13.410 1.00 13.46 O ATOM 1318 CB ILE A 103 8.050 -7.280 -15.870 1.00 13.13 C ATOM 1319 CG1 ILE A 103 8.140 -7.287 -17.389 1.00 13.15 C ATOM 1320 CG2 ILE A 103 9.445 -7.237 -15.262 1.00 12.55 C ATOM 1321 CD1 ILE A 103 8.740 -6.028 -17.967 1.00 13.11 C ATOM 1322 HA ILE A 103 7.634 -9.396 -15.841 1.00 0.00 H ATOM 1323 HB ILE A 103 7.522 -6.384 -15.544 1.00 0.00 H ATOM 1324 HG12 ILE A 103 8.756 -8.133 -17.694 1.00 0.00 H ATOM 1325 HG13 ILE A 103 7.135 -7.406 -17.793 1.00 0.00 H ATOM 1326 HD11 ILE A 103 8.129 -5.172 -17.681 1.00 0.00 H ATOM 1327 HD12 ILE A 103 9.752 -5.899 -17.582 1.00 0.00 H ATOM 1328 HD13 ILE A 103 8.771 -6.107 -19.054 1.00 0.00 H ATOM 1329 HG21 ILE A 103 9.365 -7.173 -14.177 1.00 0.00 H ATOM 1330 HG22 ILE A 103 9.987 -8.142 -15.535 1.00 0.00 H ATOM 1331 HG23 ILE A 103 9.978 -6.365 -15.640 1.00 0.00 H ATOM 1332 H ILE A 103 5.529 -7.565 -16.348 1.00 0.00 H ATOM 1333 N TYR A 104 6.674 -7.897 -13.038 1.00 14.68 N ATOM 1334 CA TYR A 104 6.915 -7.909 -11.568 1.00 16.12 C ATOM 1335 C TYR A 104 6.470 -9.149 -10.835 1.00 16.92 C ATOM 1336 O TYR A 104 7.092 -9.563 -9.859 1.00 16.88 O ATOM 1337 CB TYR A 104 6.248 -6.745 -10.903 1.00 15.99 C ATOM 1338 CG TYR A 104 7.178 -5.615 -10.739 1.00 16.90 C ATOM 1339 CD1 TYR A 104 8.066 -5.573 -9.650 1.00 16.94 C ATOM 1340 CD2 TYR A 104 7.204 -4.580 -11.651 1.00 16.03 C ATOM 1341 CE1 TYR A 104 8.935 -4.521 -9.484 1.00 15.29 C ATOM 1342 CE2 TYR A 104 8.085 -3.539 -11.482 1.00 15.83 C ATOM 1343 CZ TYR A 104 8.932 -3.522 -10.398 1.00 15.29 C ATOM 1344 OH TYR A 104 9.778 -2.448 -10.223 1.00 16.73 O ATOM 1345 HA TYR A 104 8.002 -7.864 -11.500 1.00 0.00 H ATOM 1346 HB3 TYR A 104 5.889 -7.055 -9.921 1.00 0.00 H ATOM 1347 HB2 TYR A 104 5.403 -6.424 -11.513 1.00 0.00 H ATOM 1348 HD2 TYR A 104 6.526 -4.588 -12.505 1.00 0.00 H ATOM 1349 HE2 TYR A 104 8.113 -2.726 -12.207 1.00 0.00 H ATOM 1350 HE1 TYR A 104 9.614 -4.492 -8.632 1.00 0.00 H ATOM 1351 HD1 TYR A 104 8.065 -6.388 -8.926 1.00 0.00 H ATOM 1352 HH TYR A 104 10.318 -2.585 -9.405 1.00 0.00 H ATOM 1353 H TYR A 104 5.929 -7.289 -13.435 1.00 0.00 H ATOM 1354 N ARG A 105 5.383 -9.729 -11.324 1.00 17.71 N ATOM 1355 CA ARG A 105 4.944 -11.040 -10.940 1.00 18.87 C ATOM 1356 C ARG A 105 6.082 -12.038 -11.081 1.00 18.09 C ATOM 1357 O ARG A 105 6.030 -13.105 -10.512 1.00 18.56 O ATOM 1358 CB ARG A 105 3.846 -11.418 -11.893 1.00 22.38 C ATOM 1359 CG ARG A 105 2.626 -12.071 -11.305 1.00 26.94 C ATOM 1360 CD ARG A 105 1.608 -12.183 -12.439 1.00 35.56 C ATOM 1361 NE ARG A 105 0.622 -11.083 -12.397 1.00 45.35 N ATOM 1362 CZ ARG A 105 -0.008 -10.546 -13.456 1.00 45.93 C ATOM 1363 NH1 ARG A 105 0.229 -10.964 -14.702 1.00 44.96 N ATOM 1364 NH2 ARG A 105 -0.880 -9.562 -13.266 1.00 46.02 N ATOM 1365 HA ARG A 105 4.607 -11.046 -9.903 1.00 0.00 H ATOM 1366 HB2 ARG A 105 3.521 -10.508 -12.398 1.00 0.00 H ATOM 1367 HB3 ARG A 105 4.268 -12.107 -12.624 1.00 0.00 H ATOM 1368 HG2 ARG A 105 2.875 -13.061 -10.922 1.00 0.00 H ATOM 1369 HG3 ARG A 105 2.224 -11.461 -10.496 1.00 0.00 H ATOM 1370 HD2 ARG A 105 1.082 -13.133 -12.350 1.00 0.00 H ATOM 1371 HD3 ARG A 105 2.135 -12.149 -13.392 1.00 0.00 H ATOM 1372 HE ARG A 105 0.395 -10.688 -11.462 1.00 0.00 H ATOM 1373 HH12 ARG A 105 -0.274 -10.529 -15.501 1.00 0.00 H ATOM 1374 HH11 ARG A 105 0.917 -11.725 -14.873 1.00 0.00 H ATOM 1375 HH22 ARG A 105 -1.373 -9.140 -14.079 1.00 0.00 H ATOM 1376 HH21 ARG A 105 -1.070 -9.214 -12.305 1.00 0.00 H ATOM 1377 H ARG A 105 4.818 -9.206 -12.023 1.00 0.00 H ATOM 1378 N ASN A 106 7.111 -11.697 -11.849 1.00 18.07 N ATOM 1379 CA ASN A 106 8.275 -12.569 -12.036 1.00 17.33 C ATOM 1380 C ASN A 106 9.534 -12.062 -11.415 1.00 18.27 C ATOM 1381 O ASN A 106 10.637 -12.515 -11.803 1.00 17.51 O ATOM 1382 CB ASN A 106 8.549 -12.742 -13.480 1.00 16.48 C ATOM 1383 CG ASN A 106 7.527 -13.584 -14.115 1.00 18.43 C ATOM 1384 OD1 ASN A 106 7.490 -14.781 -13.870 1.00 20.23 O ATOM 1385 ND2 ASN A 106 6.640 -12.977 -14.902 1.00 18.44 N ATOM 1386 HA ASN A 106 8.007 -13.503 -11.542 1.00 0.00 H ATOM 1387 HB2 ASN A 106 8.554 -11.764 -13.961 1.00 0.00 H ATOM 1388 HB3 ASN A 106 9.525 -13.212 -13.604 1.00 0.00 H ATOM 1389 HD22 ASN A 106 6.716 -11.955 -15.079 1.00 0.00 H ATOM 1390 HD21 ASN A 106 5.872 -13.525 -15.339 1.00 0.00 H ATOM 1391 H ASN A 106 7.090 -10.778 -12.335 1.00 0.00 H ATOM 1392 N LEU A 107 9.389 -11.127 -10.478 1.00 17.73 N ATOM 1393 CA LEU A 107 10.562 -10.608 -9.816 1.00 19.76 C ATOM 1394 C LEU A 107 10.621 -11.044 -8.380 1.00 21.42 C ATOM 1395 O LEU A 107 9.653 -10.840 -7.645 1.00 23.15 O ATOM 1396 CB LEU A 107 10.633 -9.078 -9.896 1.00 19.06 C ATOM 1397 CG LEU A 107 11.063 -8.518 -11.248 1.00 18.24 C ATOM 1398 CD1 LEU A 107 11.013 -7.008 -11.182 1.00 17.68 C ATOM 1399 CD2 LEU A 107 12.429 -9.028 -11.717 1.00 17.33 C ATOM 1400 HA LEU A 107 11.423 -11.020 -10.343 1.00 0.00 H ATOM 1401 HB2 LEU A 107 9.644 -8.682 -9.666 1.00 0.00 H ATOM 1402 HB3 LEU A 107 11.345 -8.733 -9.146 1.00 0.00 H ATOM 1403 HG LEU A 107 10.365 -8.879 -12.003 1.00 0.00 H ATOM 1404 HD21 LEU A 107 13.190 -8.745 -10.990 1.00 0.00 H ATOM 1405 HD22 LEU A 107 12.398 -10.114 -11.809 1.00 0.00 H ATOM 1406 HD23 LEU A 107 12.667 -8.587 -12.685 1.00 0.00 H ATOM 1407 HD11 LEU A 107 9.996 -6.689 -10.954 1.00 0.00 H ATOM 1408 HD12 LEU A 107 11.689 -6.657 -10.402 1.00 0.00 H ATOM 1409 HD13 LEU A 107 11.318 -6.593 -12.143 1.00 0.00 H ATOM 1410 H LEU A 107 8.443 -10.775 -10.226 1.00 0.00 H ATOM 1411 N VAL A 108 11.767 -11.608 -7.977 1.00 23.31 N ATOM 1412 CA VAL A 108 11.981 -12.041 -6.591 1.00 25.68 C ATOM 1413 C VAL A 108 11.908 -10.826 -5.681 1.00 29.64 C ATOM 1414 O VAL A 108 12.652 -9.842 -5.831 1.00 29.36 O ATOM 1415 CB VAL A 108 13.270 -12.876 -6.327 1.00 24.89 C ATOM 1416 CG1 VAL A 108 13.216 -13.472 -4.928 1.00 23.95 C ATOM 1417 CG2 VAL A 108 13.411 -14.026 -7.318 1.00 26.05 C ATOM 1418 HA VAL A 108 11.181 -12.747 -6.368 1.00 0.00 H ATOM 1419 HB VAL A 108 14.120 -12.203 -6.437 1.00 0.00 H ATOM 1420 HG11 VAL A 108 13.148 -12.669 -4.195 1.00 0.00 H ATOM 1421 HG12 VAL A 108 12.342 -14.118 -4.843 1.00 0.00 H ATOM 1422 HG13 VAL A 108 14.119 -14.055 -4.748 1.00 0.00 H ATOM 1423 HG21 VAL A 108 12.549 -14.688 -7.230 1.00 0.00 H ATOM 1424 HG22 VAL A 108 13.462 -13.627 -8.331 1.00 0.00 H ATOM 1425 HG23 VAL A 108 14.322 -14.583 -7.099 1.00 0.00 H ATOM 1426 H VAL A 108 12.531 -11.744 -8.669 1.00 0.00 H ATOM 1427 N VAL A 109 10.973 -10.933 -4.746 1.00 33.68 N ATOM 1428 CA VAL A 109 10.528 -9.841 -3.876 1.00 37.57 C ATOM 1429 C VAL A 109 11.491 -9.562 -2.691 1.00 40.65 C ATOM 1430 O VAL A 109 11.930 -10.467 -1.948 1.00 39.90 O ATOM 1431 CB VAL A 109 9.045 -10.076 -3.448 1.00 37.03 C ATOM 1432 CG1 VAL A 109 8.122 -9.811 -4.642 1.00 37.03 C ATOM 1433 CG2 VAL A 109 8.850 -11.517 -2.951 1.00 36.87 C ATOM 1434 HA VAL A 109 10.561 -8.915 -4.450 1.00 0.00 H ATOM 1435 OXT VAL A 109 11.884 -8.403 -2.489 1.00 39.68 O ATOM 1436 HB VAL A 109 8.799 -9.392 -2.635 1.00 0.00 H ATOM 1437 HG11 VAL A 109 8.246 -8.780 -4.974 1.00 0.00 H ATOM 1438 HG12 VAL A 109 8.378 -10.490 -5.455 1.00 0.00 H ATOM 1439 HG13 VAL A 109 7.087 -9.975 -4.343 1.00 0.00 H ATOM 1440 HG21 VAL A 109 9.103 -12.213 -3.751 1.00 0.00 H ATOM 1441 HG22 VAL A 109 9.499 -11.695 -2.094 1.00 0.00 H ATOM 1442 HG23 VAL A 109 7.810 -11.661 -2.657 1.00 0.00 H ATOM 1443 H VAL A 109 10.522 -11.862 -4.621 1.00 0.00 H TER 1444 VAL A 109 HETATM 1445 O43 VZV A 1 10.151 -3.554 -32.201 1.00 -0.40 O HETATM 1446 C42 VZV A 1 9.208 -3.950 -31.502 1.00 0.20 C HETATM 1447 N5 VZV A 1 8.235 -4.792 -31.998 1.00 -0.25 N HETATM 1448 C4 VZV A 1 8.177 -5.234 -33.398 1.00 0.13 C HETATM 1449 C6 VZV A 1 7.787 -3.940 -34.239 1.00 0.20 C HETATM 1450 O10 VZV A 1 7.982 -4.004 -35.473 1.00 -0.39 O HETATM 1451 N7 VZV A 1 7.271 -2.716 -33.698 1.00 -0.28 N HETATM 1452 C9 VZV A 1 5.907 -2.537 -33.019 1.00 0.02 C HETATM 1453 H2 VZV A 1 5.788 -1.489 -32.706 1.00 0.05 H HETATM 1454 H3 VZV A 1 5.848 -3.192 -32.137 1.00 0.05 H HETATM 1455 H4 VZV A 1 5.107 -2.801 -33.727 1.00 0.05 H HETATM 1456 C8 VZV A 1 8.105 -1.456 -33.804 1.00 0.02 C HETATM 1457 H5 VZV A 1 9.058 -1.688 -34.302 1.00 0.05 H HETATM 1458 H6 VZV A 1 8.305 -1.062 -32.796 1.00 0.05 H HETATM 1459 H7 VZV A 1 7.558 -0.703 -34.390 1.00 0.05 H HETATM 1460 C3 VZV A 1 7.085 -6.289 -33.344 1.00 -0.01 C HETATM 1461 C2 VZV A 1 6.833 -6.603 -31.858 1.00 -0.03 C HETATM 1462 C1 VZV A 1 7.054 -5.250 -31.218 1.00 0.04 C HETATM 1463 H12 VZV A 1 6.189 -4.585 -31.357 1.00 0.05 H HETATM 1464 H13 VZV A 1 7.281 -5.337 -30.145 1.00 0.05 H HETATM 1465 H10 VZV A 1 7.548 -7.348 -31.479 1.00 0.03 H HETATM 1466 H11 VZV A 1 5.807 -6.962 -31.692 1.00 0.03 H HETATM 1467 H8 VZV A 1 7.411 -7.197 -33.872 1.00 0.03 H HETATM 1468 H9 VZV A 1 6.165 -5.905 -33.810 1.00 0.03 H HETATM 1469 H1 VZV A 1 9.126 -5.658 -33.757 1.00 0.08 H HETATM 1470 C37 VZV A 1 9.152 -3.352 -30.105 1.00 0.14 C HETATM 1471 C38 VZV A 1 10.261 -3.498 -29.045 1.00 0.09 C HETATM 1472 C39 VZV A 1 10.965 -4.837 -28.652 1.00 -0.02 C HETATM 1473 C41 VZV A 1 10.510 -6.186 -29.205 1.00 -0.06 C HETATM 1474 H17 VZV A 1 11.146 -6.984 -28.794 1.00 0.02 H HETATM 1475 H18 VZV A 1 10.592 -6.179 -30.302 1.00 0.02 H HETATM 1476 H19 VZV A 1 9.464 -6.366 -28.917 1.00 0.02 H HETATM 1477 C40 VZV A 1 12.481 -4.653 -28.821 1.00 -0.06 C HETATM 1478 H20 VZV A 1 12.779 -3.675 -28.415 1.00 0.02 H HETATM 1479 H21 VZV A 1 12.739 -4.700 -29.889 1.00 0.02 H HETATM 1480 H22 VZV A 1 13.010 -5.452 -28.280 1.00 0.02 H HETATM 1481 H16 VZV A 1 10.784 -4.927 -27.571 1.00 0.03 H HETATM 1482 N35 VZV A 1 9.508 -2.942 -27.898 1.00 -0.25 N HETATM 1483 C31 VZV A 1 9.903 -2.780 -26.539 1.00 0.07 C HETATM 1484 C24 VZV A 1 9.354 -3.914 -25.691 1.00 -0.02 C HETATM 1485 C23 VZV A 1 10.178 -4.357 -24.670 1.00 -0.06 C HETATM 1486 C22 VZV A 1 9.702 -5.356 -23.872 1.00 -0.05 C HETATM 1487 C21 VZV A 1 8.441 -5.920 -24.103 1.00 0.03 C HETATM 1488 C26 VZV A 1 7.622 -5.506 -25.140 1.00 -0.05 C HETATM 1489 C25 VZV A 1 8.094 -4.482 -25.954 1.00 -0.06 C HETATM 1490 H26 VZV A 1 7.496 -4.124 -26.784 1.00 0.06 H HETATM 1491 H27 VZV A 1 6.653 -5.961 -25.310 1.00 0.06 H HETATM 1492 CL2 VZV A 1 7.961 -7.187 -22.974 1.00 -0.08 CL HETATM 1493 H25 VZV A 1 10.307 -5.718 -23.049 1.00 0.06 H HETATM 1494 H24 VZV A 1 11.161 -3.928 -24.511 1.00 0.06 H HETATM 1495 C32 VZV A 1 9.390 -1.349 -26.178 1.00 0.02 C HETATM 1496 N33 VZV A 1 8.537 -1.018 -27.351 1.00 -0.39 N HETATM 1497 C34 VZV A 1 8.684 -1.904 -28.197 1.00 0.16 C HETATM 1498 S36 VZV A 1 8.075 -2.126 -29.781 1.00 -0.00 S HETATM 1499 C44 VZV A 1 10.590 -0.380 -26.102 1.00 -0.08 C HETATM 1500 H28 VZV A 1 10.231 0.628 -25.848 1.00 0.01 H HETATM 1501 H29 VZV A 1 11.102 -0.353 -27.075 1.00 0.01 H HETATM 1502 H30 VZV A 1 11.292 -0.725 -25.328 1.00 0.01 H HETATM 1503 C15 VZV A 1 8.636 -1.326 -24.803 1.00 -0.04 C HETATM 1504 C16 VZV A 1 9.435 -1.280 -23.651 1.00 -0.04 C HETATM 1505 C11 VZV A 1 8.880 -1.284 -22.389 1.00 -0.02 C HETATM 1506 C12 VZV A 1 7.513 -1.342 -22.276 1.00 0.07 C HETATM 1507 C13 VZV A 1 6.691 -1.396 -23.405 1.00 -0.02 C HETATM 1508 C14 VZV A 1 7.235 -1.390 -24.672 1.00 -0.04 C HETATM 1509 H33 VZV A 1 6.598 -1.434 -25.548 1.00 0.08 H HETATM 1510 H34 VZV A 1 5.615 -1.443 -23.283 1.00 0.07 H HETATM 1511 CL1 VZV A 1 6.851 -1.315 -20.641 1.00 -0.04 CL HETATM 1512 H32 VZV A 1 9.508 -1.242 -21.507 1.00 0.07 H HETATM 1513 H31 VZV A 1 10.513 -1.240 -23.755 1.00 0.08 H HETATM 1514 H23 VZV A 1 11.000 -2.800 -26.457 1.00 0.06 H HETATM 1515 H15 VZV A 1 11.079 -2.821 -29.332 1.00 0.06 H HETATM 1516 H14 VZV A 1 8.528 -4.163 -29.702 1.00 0.07 H CONECT 1 2 15 16 17 CONECT 15 1 CONECT 16 1 CONECT 17 1 CONECT 1445 1446 CONECT 1446 1445 1447 1470 CONECT 1447 1446 1448 1462 CONECT 1448 1447 1449 1460 1469 CONECT 1449 1448 1450 1451 CONECT 1450 1449 CONECT 1451 1449 1452 1456 CONECT 1452 1451 1453 1454 1455 CONECT 1453 1452 CONECT 1454 1452 CONECT 1455 1452 CONECT 1456 1451 1457 1458 1459 CONECT 1457 1456 CONECT 1458 1456 CONECT 1459 1456 CONECT 1460 1448 1461 1467 1468 CONECT 1461 1460 1462 1465 1466 CONECT 1462 1447 1461 1463 1464 CONECT 1463 1462 CONECT 1464 1462 CONECT 1465 1461 CONECT 1466 1461 CONECT 1467 1460 CONECT 1468 1460 CONECT 1469 1448 CONECT 1470 1446 1471 1498 1516 CONECT 1471 1470 1472 1482 1515 CONECT 1472 1471 1473 1477 1481 CONECT 1473 1472 1474 1475 1476 CONECT 1474 1473 CONECT 1475 1473 CONECT 1476 1473 CONECT 1477 1472 1478 1479 1480 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1477 CONECT 1481 1472 CONECT 1482 1471 1483 1497 CONECT 1483 1482 1484 1495 1514 CONECT 1484 1483 1485 1489 CONECT 1485 1484 1486 1494 CONECT 1486 1485 1487 1493 CONECT 1487 1486 1488 1492 CONECT 1488 1487 1489 1491 CONECT 1489 1484 1488 1490 CONECT 1490 1489 CONECT 1491 1488 CONECT 1492 1487 CONECT 1493 1486 CONECT 1494 1485 CONECT 1495 1483 1496 1499 1503 CONECT 1496 1495 1497 CONECT 1497 1482 1496 1498 CONECT 1498 1470 1497 CONECT 1499 1495 1500 1501 1502 CONECT 1500 1499 CONECT 1501 1499 CONECT 1502 1499 CONECT 1503 1495 1504 1508 CONECT 1504 1503 1505 1513 CONECT 1505 1504 1506 1512 CONECT 1506 1505 1507 1511 CONECT 1507 1506 1508 1510 CONECT 1508 1503 1507 1509 CONECT 1509 1508 CONECT 1510 1507 CONECT 1511 1506 CONECT 1512 1505 CONECT 1513 1504 CONECT 1514 1483 CONECT 1515 1471 CONECT 1516 1470 MASTER 0 0 0 0 0 0 0 0 1515 1 76 7 END
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Protein Sequence Similarity
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PDBbind
87aa, >3W69_1|Chains... at 96%
4dij
RCSB PDB
PDBbind
96aa, >4DIJ_1|Chains... at 97%
4ere
RCSB PDB
PDBbind
96aa, >4ERE_1|Chains... at 98%
4erf
RCSB PDB
PDBbind
96aa, >4ERF_1|Chains... at 98%
4hbm
RCSB PDB
PDBbind
120aa, >4HBM_1|Chains... at 100%
4hg7
RCSB PDB
PDBbind
97aa, >4HG7_1|Chain... at 93%
4jv7
RCSB PDB
PDBbind
96aa, >4JV7_1|Chain... at 97%
4jv9
RCSB PDB
PDBbind
96aa, >4JV9_1|Chain... at 97%
4jve
RCSB PDB
PDBbind
96aa, >4JVE_1|Chain... at 97%
4jwr
RCSB PDB
PDBbind
95aa, >4JWR_1|Chains... at 100%
4mdn
RCSB PDB
PDBbind
94aa, >4MDN_1|Chain... at 98%
4mdq
RCSB PDB
PDBbind
86aa, >4MDQ_1|Chain... at 100%
4oas
RCSB PDB
PDBbind
96aa, >4OAS_1|Chains... at 98%
4oba
RCSB PDB
PDBbind
96aa, >4OBA_1|Chains... at 98%
4occ
RCSB PDB
PDBbind
96aa, >4OCC_1|Chains... at 98%
4ode
RCSB PDB
PDBbind
105aa, >4ODE_1|Chain... at 100%
4odf
RCSB PDB
PDBbind
105aa, >4ODF_1|Chain... at 100%
4ogn
RCSB PDB
PDBbind
105aa, >4OGN_1|Chain... at 100%
4ogt
RCSB PDB
PDBbind
105aa, >4OGT_1|Chain... at 100%
4ogv
RCSB PDB
PDBbind
95aa, >4OGV_1|Chains... at 100%
4oq3
RCSB PDB
PDBbind
96aa, >4OQ3_1|Chains... at 97%
4qo4
RCSB PDB
PDBbind
96aa, >4QO4_1|Chain... at 98%
4qoc
RCSB PDB
PDBbind
96aa, >4QOC_1|Chains... at 98%
4wt2
RCSB PDB
PDBbind
105aa, >4WT2_1|Chain... at 100%
4zfi
RCSB PDB
PDBbind
97aa, >4ZFI_1|Chains... at 98%
4zgk
RCSB PDB
PDBbind
98aa, >4ZGK_1|Chains... at 98%
4zyc
RCSB PDB
PDBbind
96aa, >4ZYC_1|Chains... at 97%
4zyf
RCSB PDB
PDBbind
96aa, >4ZYF_1|Chain... at 98%
4zyi
RCSB PDB
PDBbind
96aa, >4ZYI_1|Chain... at 98%
5hmh
RCSB PDB
PDBbind
101aa, >5HMH_1|Chains... at 93%
5hmi
RCSB PDB
PDBbind
104aa, >5HMI_1|Chains... at 93%
5hmk
RCSB PDB
PDBbind
109aa, >5HMK_1|Chains... at 98%
5j7f
RCSB PDB
PDBbind
125aa, >5J7F_1|Chains... at 100%
5j7g
RCSB PDB
PDBbind
109aa, >5J7G_1|Chains... at 99%
5lav
RCSB PDB
PDBbind
93aa, >5LAV_1|Chain... at 100%
5law
RCSB PDB
PDBbind
94aa, >5LAW_1|Chain... at 100%
5lay
RCSB PDB
PDBbind
95aa, >5LAY_1|Chains... at 100%
5laz
RCSB PDB
PDBbind
94aa, >5LAZ_1|Chain... at 100%
5trf
RCSB PDB
PDBbind
109aa, >5TRF_1|Chains... at 100%
6ggn
RCSB PDB
PDBbind
96aa, >6GGN_1|Chain... at 98%
6i3s
RCSB PDB
PDBbind
94aa, >6I3S_1|Chain... at 100%
6q9o
RCSB PDB
PDBbind
96aa, >6Q9O_1|Chains... at 98%
6q9l
RCSB PDB
PDBbind
96aa, >6Q9L_1|Chains... at 98%
6q9h
RCSB PDB
PDBbind
96aa, >6Q9H_1|Chain... at 98%
6q96
RCSB PDB
PDBbind
96aa, >6Q96_1|Chains... at 98%
6im9
RCSB PDB
PDBbind
122aa, >6IM9_2|Chain... at 98%
5oai
RCSB PDB
PDBbind
97aa, >5OAI_1|Chain... at 98%
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
3vzv
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2
Ligand Name
VZV
EC.Number
E.C.6.3.2
Resolution
2.8(Å)
Affinity (Kd/Ki/IC50)
IC50=9.2nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) Bioorg.Med.Chem.Lett. Vol. 23: pp. 728-732
Ligand Properties
Formula
C
2
9
H
3
4
Cl
2
N
4
O
2
S
Molecular Weight
573.577
Exact Mass
572.178
No. of atoms
72
No. of bonds
76
Polar Surface Area
81.52
LOGP Value
5.80 (
Computed with XLOGP3
)
5.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 5
Canonical SMILES
CC([C@H]1[C@@H](SC2=N[C@@]([C@H](N12)c1ccc(cc1)Cl)(C)c1ccc(cc1)Cl)C(=O)N1CCC[C@H]1C(=O)N(C)C)C
InChI String
InChI=1S/C29H34Cl2N4O2S/c1-17(2)23-24(27(37)34-16-6-7-22(34)26(36)33(4)5)38-28-32-29(3,19-10-14-21(31)15-11-19)25(35(23)28)18-8-12-20(30)13-9-18/h8-15,17,22-25H,6-7,16H2,1-5H3/t22-,23-,24+,25+,29-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q00987
Entrez Gene ID
NCBI Entrez Gene ID:
4193
ASD
Information of known allosteric effects of PDB entries
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