Browse entries in the PDBbind-CN Database
HEADER 4J74_COMPLEX COMPND 4J74_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 86 MET GLU LYS LEU VAL GLN PRO THR PRO LEU LEU LEU SER SEQRES 2 A 86 LEU LEU LYS SER ALA GLY ALA GLN LYS GLU THR PHE THR SEQRES 3 A 86 MET LYS GLU VAL LEU TYR HIS LEU GLY GLN TYR ILE MET SEQRES 4 A 86 ALA LYS GLN LEU TYR ASP GLU LYS GLN GLN HIS ILE VAL SEQRES 5 A 86 HIS CYS SER ASN ASP PRO LEU GLY GLU LEU PHE GLY VAL SEQRES 6 A 86 GLN GLU PHE SER VAL LYS GLU HIS ARG ARG ILE TYR ALA SEQRES 7 A 86 MET ILE SER ARG ASN LEU VAL SER HET I A 18 34 ATOM 1 N MET A 20 9.257 -12.394 -7.786 1.00 26.04 N ATOM 2 CA MET A 20 8.076 -11.526 -8.058 1.00 24.49 C ATOM 3 C MET A 20 6.786 -12.339 -8.005 1.00 21.45 C ATOM 4 O MET A 20 6.755 -13.493 -8.437 1.00 19.86 O ATOM 5 CB MET A 20 8.213 -10.860 -9.433 1.00 27.97 C ATOM 6 CG MET A 20 8.367 -11.834 -10.592 1.00 30.91 C ATOM 7 SD MET A 20 8.607 -11.004 -12.183 1.00 26.53 S ATOM 8 CE MET A 20 9.840 -9.768 -11.738 1.00 36.14 C ATOM 9 HA MET A 20 8.035 -10.755 -7.289 1.00 0.00 H ATOM 10 HB2 MET A 20 7.322 -10.257 -9.610 1.00 0.00 H ATOM 11 HB3 MET A 20 9.090 -10.213 -9.413 1.00 0.00 H ATOM 12 HG2 MET A 20 7.469 -12.448 -10.652 1.00 0.00 H ATOM 13 HG3 MET A 20 9.230 -12.472 -10.398 1.00 0.00 H ATOM 14 HE1 MET A 20 9.437 -9.117 -10.962 1.00 0.00 H ATOM 15 HE2 MET A 20 10.735 -10.267 -11.366 1.00 0.00 H ATOM 16 HE3 MET A 20 10.092 -9.175 -12.617 1.00 0.00 H ATOM 17 HN3 MET A 20 9.304 -13.147 -8.501 1.00 0.00 H ATOM 18 HN2 MET A 20 9.164 -12.817 -6.841 1.00 0.00 H ATOM 19 HN1 MET A 20 10.124 -11.821 -7.827 1.00 0.00 H ATOM 20 N GLU A 21 5.728 -11.736 -7.468 1.00 18.70 N ATOM 21 CA GLU A 21 4.433 -12.405 -7.373 1.00 15.73 C ATOM 22 C GLU A 21 3.839 -12.602 -8.760 1.00 14.31 C ATOM 23 O GLU A 21 3.977 -11.743 -9.632 1.00 13.18 O ATOM 24 CB GLU A 21 3.469 -11.583 -6.510 1.00 15.93 C ATOM 25 CG GLU A 21 2.009 -12.039 -6.559 1.00 14.80 C ATOM 26 CD GLU A 21 1.783 -13.431 -5.983 1.00 15.63 C ATOM 27 OE1 GLU A 21 0.668 -13.692 -5.481 1.00 14.37 O ATOM 28 OE2 GLU A 21 2.706 -14.269 -6.036 1.00 14.87 O ATOM 29 HA GLU A 21 4.582 -13.379 -6.907 1.00 0.00 H ATOM 30 HB2 GLU A 21 3.807 -11.641 -5.475 1.00 0.00 H ATOM 31 HB3 GLU A 21 3.512 -10.547 -6.847 1.00 0.00 H ATOM 32 HG2 GLU A 21 1.407 -11.329 -5.991 1.00 0.00 H ATOM 33 HG3 GLU A 21 1.683 -12.039 -7.599 1.00 0.00 H ATOM 34 H GLU A 21 5.826 -10.765 -7.107 1.00 0.00 H ATOM 35 N LYS A 22 3.180 -13.738 -8.956 1.00 12.45 N ATOM 36 CA LYS A 22 2.581 -14.051 -10.243 1.00 12.41 C ATOM 37 C LYS A 22 1.368 -13.174 -10.507 1.00 11.19 C ATOM 38 O LYS A 22 0.512 -12.988 -9.633 1.00 12.84 O ATOM 39 CB LYS A 22 2.175 -15.523 -10.303 1.00 16.26 C ATOM 40 CG LYS A 22 1.529 -15.914 -11.620 1.00 19.27 C ATOM 41 CD LYS A 22 1.279 -17.407 -11.701 1.00 23.54 C ATOM 42 CE LYS A 22 0.584 -17.763 -13.003 1.00 25.76 C ATOM 43 NZ LYS A 22 0.338 -19.225 -13.127 1.00 27.59 N ATOM 44 HA LYS A 22 3.327 -13.855 -11.013 1.00 0.00 H ATOM 45 HB2 LYS A 22 3.066 -16.134 -10.159 1.00 0.00 H ATOM 46 HB3 LYS A 22 1.467 -15.720 -9.498 1.00 0.00 H ATOM 47 HG2 LYS A 22 0.578 -15.391 -11.716 1.00 0.00 H ATOM 48 HG3 LYS A 22 2.188 -15.621 -12.438 1.00 0.00 H ATOM 49 HD2 LYS A 22 2.232 -17.933 -11.648 1.00 0.00 H ATOM 50 HD3 LYS A 22 0.650 -17.711 -10.864 1.00 0.00 H ATOM 51 HE2 LYS A 22 1.210 -17.440 -13.835 1.00 0.00 H ATOM 52 HE3 LYS A 22 -0.372 -17.241 -13.045 1.00 0.00 H ATOM 53 HZ1 LYS A 22 1.246 -19.732 -13.095 1.00 0.00 H ATOM 54 HZ2 LYS A 22 -0.265 -19.542 -12.341 1.00 0.00 H ATOM 55 HZ3 LYS A 22 -0.138 -19.420 -14.031 1.00 0.00 H ATOM 56 H LYS A 22 3.091 -14.417 -8.173 1.00 0.00 H ATOM 57 N LEU A 23 1.304 -12.628 -11.716 1.00 9.24 N ATOM 58 CA LEU A 23 0.187 -11.791 -12.114 1.00 8.64 C ATOM 59 C LEU A 23 -0.819 -12.624 -12.900 1.00 9.48 C ATOM 60 O LEU A 23 -0.434 -13.490 -13.691 1.00 11.67 O ATOM 61 CB LEU A 23 0.696 -10.622 -12.960 1.00 9.18 C ATOM 62 CG LEU A 23 1.636 -9.665 -12.219 1.00 10.40 C ATOM 63 CD1 LEU A 23 2.302 -8.706 -13.196 1.00 12.31 C ATOM 64 CD2 LEU A 23 0.843 -8.903 -11.167 1.00 11.47 C ATOM 65 HA LEU A 23 -0.306 -11.391 -11.228 1.00 0.00 H ATOM 66 HB2 LEU A 23 1.231 -11.029 -13.818 1.00 0.00 H ATOM 67 HB3 LEU A 23 -0.166 -10.052 -13.308 1.00 0.00 H ATOM 68 HG LEU A 23 2.424 -10.237 -11.729 1.00 0.00 H ATOM 69 HD21 LEU A 23 0.049 -8.335 -11.653 1.00 0.00 H ATOM 70 HD22 LEU A 23 0.406 -9.609 -10.461 1.00 0.00 H ATOM 71 HD23 LEU A 23 1.507 -8.221 -10.637 1.00 0.00 H ATOM 72 HD11 LEU A 23 2.879 -9.275 -13.925 1.00 0.00 H ATOM 73 HD12 LEU A 23 1.537 -8.124 -13.710 1.00 0.00 H ATOM 74 HD13 LEU A 23 2.965 -8.035 -12.650 1.00 0.00 H ATOM 75 H LEU A 23 2.073 -12.804 -12.394 1.00 0.00 H ATOM 76 N VAL A 24 -2.104 -12.372 -12.669 1.00 7.70 N ATOM 77 CA VAL A 24 -3.165 -13.089 -13.367 1.00 8.60 C ATOM 78 C VAL A 24 -3.926 -12.117 -14.262 1.00 8.18 C ATOM 79 O VAL A 24 -3.839 -10.903 -14.087 1.00 8.16 O ATOM 80 CB VAL A 24 -4.142 -13.769 -12.365 1.00 8.81 C ATOM 81 CG1 VAL A 24 -3.378 -14.745 -11.481 1.00 11.68 C ATOM 82 CG2 VAL A 24 -4.844 -12.718 -11.509 1.00 9.22 C ATOM 83 HA VAL A 24 -2.712 -13.873 -13.974 1.00 0.00 H ATOM 84 HB VAL A 24 -4.899 -14.316 -12.927 1.00 0.00 H ATOM 85 HG11 VAL A 24 -2.911 -15.508 -12.104 1.00 0.00 H ATOM 86 HG12 VAL A 24 -2.610 -14.206 -10.927 1.00 0.00 H ATOM 87 HG13 VAL A 24 -4.068 -15.217 -10.782 1.00 0.00 H ATOM 88 HG21 VAL A 24 -4.100 -12.150 -10.950 1.00 0.00 H ATOM 89 HG22 VAL A 24 -5.408 -12.044 -12.154 1.00 0.00 H ATOM 90 HG23 VAL A 24 -5.523 -13.212 -10.814 1.00 0.00 H ATOM 91 H VAL A 24 -2.359 -11.644 -11.972 1.00 0.00 H ATOM 92 N GLN A 25 -4.653 -12.668 -15.230 1.00 8.37 N ATOM 93 CA GLN A 25 -5.286 -11.871 -16.272 1.00 7.59 C ATOM 94 C GLN A 25 -6.775 -12.177 -16.333 1.00 7.29 C ATOM 95 O GLN A 25 -7.185 -13.200 -16.879 1.00 7.83 O ATOM 96 CB GLN A 25 -4.627 -12.188 -17.618 1.00 8.15 C ATOM 97 CG GLN A 25 -5.196 -11.439 -18.800 1.00 8.59 C ATOM 98 CD GLN A 25 -4.547 -11.843 -20.112 1.00 9.62 C ATOM 99 OE1 GLN A 25 -3.642 -12.679 -20.143 1.00 9.45 O ATOM 100 NE2 GLN A 25 -5.006 -11.245 -21.204 1.00 10.48 N ATOM 101 HA GLN A 25 -5.160 -10.812 -16.047 1.00 0.00 H ATOM 102 HB2 GLN A 25 -3.567 -11.945 -17.542 1.00 0.00 H ATOM 103 HB3 GLN A 25 -4.741 -13.255 -17.807 1.00 0.00 H ATOM 104 HG2 GLN A 25 -6.265 -11.642 -18.861 1.00 0.00 H ATOM 105 HG3 GLN A 25 -5.039 -10.371 -18.646 1.00 0.00 H ATOM 106 HE22 GLN A 25 -5.772 -10.545 -21.131 1.00 0.00 H ATOM 107 HE21 GLN A 25 -4.600 -11.476 -22.133 1.00 0.00 H ATOM 108 H GLN A 25 -4.773 -13.701 -15.243 1.00 0.00 H ATOM 109 N PRO A 26 -7.605 -11.291 -15.763 1.00 6.82 N ATOM 110 CA PRO A 26 -9.056 -11.493 -15.815 1.00 7.16 C ATOM 111 C PRO A 26 -9.585 -11.542 -17.239 1.00 7.73 C ATOM 112 O PRO A 26 -9.161 -10.762 -18.093 1.00 8.64 O ATOM 113 CB PRO A 26 -9.609 -10.298 -15.035 1.00 8.45 C ATOM 114 CG PRO A 26 -8.517 -9.971 -14.064 1.00 7.96 C ATOM 115 CD PRO A 26 -7.247 -10.185 -14.857 1.00 7.63 C ATOM 116 HA PRO A 26 -9.359 -12.451 -15.392 1.00 0.00 H ATOM 117 HD3 PRO A 26 -6.979 -9.290 -15.418 1.00 0.00 H ATOM 118 HD2 PRO A 26 -6.420 -10.465 -14.205 1.00 0.00 H ATOM 119 HG3 PRO A 26 -8.553 -10.637 -13.202 1.00 0.00 H ATOM 120 HG2 PRO A 26 -8.594 -8.937 -13.727 1.00 0.00 H ATOM 121 HB2 PRO A 26 -9.803 -9.456 -15.700 1.00 0.00 H ATOM 122 HB3 PRO A 26 -10.527 -10.566 -14.512 1.00 0.00 H ATOM 123 N THR A 27 -10.511 -12.462 -17.488 1.00 7.67 N ATOM 124 CA THR A 27 -11.225 -12.498 -18.752 1.00 8.00 C ATOM 125 C THR A 27 -12.246 -11.357 -18.786 1.00 8.47 C ATOM 126 O THR A 27 -12.428 -10.654 -17.796 1.00 8.68 O ATOM 127 CB THR A 27 -11.898 -13.880 -18.956 1.00 9.05 C ATOM 128 OG1 THR A 27 -12.582 -14.272 -17.761 1.00 11.14 O ATOM 129 CG2 THR A 27 -10.846 -14.930 -19.286 1.00 12.14 C ATOM 130 HA THR A 27 -10.525 -12.358 -19.576 1.00 0.00 H ATOM 131 HB THR A 27 -12.608 -13.801 -19.779 1.00 0.00 H ATOM 132 HG1 THR A 27 -13.276 -13.600 -17.544 1.00 0.00 H ATOM 133 HG23 THR A 27 -10.319 -14.641 -20.195 1.00 0.00 H ATOM 134 HG21 THR A 27 -10.137 -15.004 -18.461 1.00 0.00 H ATOM 135 HG22 THR A 27 -11.332 -15.894 -19.437 1.00 0.00 H ATOM 136 H THR A 27 -10.729 -13.173 -16.761 1.00 0.00 H ATOM 137 N PRO A 28 -12.896 -11.133 -19.940 1.00 8.58 N ATOM 138 CA PRO A 28 -13.622 -9.875 -20.149 1.00 9.08 C ATOM 139 C PRO A 28 -14.660 -9.455 -19.111 1.00 8.46 C ATOM 140 O PRO A 28 -14.705 -8.287 -18.734 1.00 9.47 O ATOM 141 CB PRO A 28 -14.226 -10.045 -21.543 1.00 9.69 C ATOM 142 CG PRO A 28 -13.230 -10.902 -22.245 1.00 10.73 C ATOM 143 CD PRO A 28 -12.777 -11.894 -21.197 1.00 10.04 C ATOM 144 HA PRO A 28 -12.926 -9.043 -20.041 1.00 0.00 H ATOM 145 HD3 PRO A 28 -13.422 -12.773 -21.185 1.00 0.00 H ATOM 146 HD2 PRO A 28 -11.746 -12.204 -21.371 1.00 0.00 H ATOM 147 HG3 PRO A 28 -12.390 -10.305 -22.599 1.00 0.00 H ATOM 148 HG2 PRO A 28 -13.690 -11.416 -23.089 1.00 0.00 H ATOM 149 HB2 PRO A 28 -15.197 -10.537 -21.491 1.00 0.00 H ATOM 150 HB3 PRO A 28 -14.334 -9.082 -22.042 1.00 0.00 H ATOM 151 N LEU A 29 -15.491 -10.380 -18.643 1.00 8.52 N ATOM 152 CA LEU A 29 -16.543 -9.993 -17.704 1.00 9.00 C ATOM 153 C LEU A 29 -15.968 -9.596 -16.348 1.00 9.70 C ATOM 154 O LEU A 29 -16.321 -8.552 -15.805 1.00 9.98 O ATOM 155 CB LEU A 29 -17.560 -11.125 -17.522 1.00 10.62 C ATOM 156 CG LEU A 29 -18.744 -10.788 -16.605 1.00 10.89 C ATOM 157 CD1 LEU A 29 -19.532 -9.617 -17.177 1.00 13.44 C ATOM 158 CD2 LEU A 29 -19.638 -12.010 -16.456 1.00 12.36 C ATOM 159 HA LEU A 29 -17.048 -9.126 -18.130 1.00 0.00 H ATOM 160 HB2 LEU A 29 -17.955 -11.387 -18.504 1.00 0.00 H ATOM 161 HB3 LEU A 29 -17.039 -11.985 -17.101 1.00 0.00 H ATOM 162 HG LEU A 29 -18.369 -10.503 -15.622 1.00 0.00 H ATOM 163 HD21 LEU A 29 -20.011 -12.307 -17.436 1.00 0.00 H ATOM 164 HD22 LEU A 29 -19.064 -12.828 -16.021 1.00 0.00 H ATOM 165 HD23 LEU A 29 -20.477 -11.767 -15.804 1.00 0.00 H ATOM 166 HD11 LEU A 29 -18.881 -8.746 -17.256 1.00 0.00 H ATOM 167 HD12 LEU A 29 -19.908 -9.882 -18.165 1.00 0.00 H ATOM 168 HD13 LEU A 29 -20.369 -9.387 -16.518 1.00 0.00 H ATOM 169 H LEU A 29 -15.394 -11.371 -18.942 1.00 0.00 H ATOM 170 N LEU A 30 -15.079 -10.417 -15.796 1.00 8.88 N ATOM 171 CA LEU A 30 -14.446 -10.048 -14.536 1.00 9.19 C ATOM 172 C LEU A 30 -13.653 -8.751 -14.688 1.00 8.79 C ATOM 173 O LEU A 30 -13.677 -7.894 -13.798 1.00 10.36 O ATOM 174 CB LEU A 30 -13.518 -11.159 -14.041 1.00 9.33 C ATOM 175 CG LEU A 30 -12.695 -10.804 -12.795 1.00 8.95 C ATOM 176 CD1 LEU A 30 -13.615 -10.472 -11.625 1.00 12.49 C ATOM 177 CD2 LEU A 30 -11.776 -11.968 -12.449 1.00 9.34 C ATOM 178 HA LEU A 30 -15.238 -9.899 -13.802 1.00 0.00 H ATOM 179 HB2 LEU A 30 -14.128 -12.032 -13.807 1.00 0.00 H ATOM 180 HB3 LEU A 30 -12.826 -11.406 -14.846 1.00 0.00 H ATOM 181 HG LEU A 30 -12.088 -9.923 -13.002 1.00 0.00 H ATOM 182 HD21 LEU A 30 -12.376 -12.856 -12.250 1.00 0.00 H ATOM 183 HD22 LEU A 30 -11.106 -12.161 -13.286 1.00 0.00 H ATOM 184 HD23 LEU A 30 -11.191 -11.717 -11.564 1.00 0.00 H ATOM 185 HD11 LEU A 30 -14.244 -9.622 -11.889 1.00 0.00 H ATOM 186 HD12 LEU A 30 -14.243 -11.335 -11.402 1.00 0.00 H ATOM 187 HD13 LEU A 30 -13.013 -10.223 -10.751 1.00 0.00 H ATOM 188 H LEU A 30 -14.837 -11.316 -16.260 1.00 0.00 H ATOM 189 N LEU A 31 -12.956 -8.589 -15.810 1.00 8.42 N ATOM 190 CA LEU A 31 -12.171 -7.372 -16.006 1.00 9.33 C ATOM 191 C LEU A 31 -13.080 -6.144 -15.992 1.00 10.65 C ATOM 192 O LEU A 31 -12.736 -5.109 -15.415 1.00 11.48 O ATOM 193 CB LEU A 31 -11.395 -7.423 -17.327 1.00 10.24 C ATOM 194 CG LEU A 31 -10.494 -6.208 -17.583 1.00 11.89 C ATOM 195 CD1 LEU A 31 -9.395 -6.151 -16.525 1.00 14.06 C ATOM 196 CD2 LEU A 31 -9.890 -6.298 -18.975 1.00 13.79 C ATOM 197 HA LEU A 31 -11.457 -7.301 -15.186 1.00 0.00 H ATOM 198 HB2 LEU A 31 -10.770 -8.316 -17.320 1.00 0.00 H ATOM 199 HB3 LEU A 31 -12.115 -7.491 -18.143 1.00 0.00 H ATOM 200 HG LEU A 31 -11.088 -5.296 -17.520 1.00 0.00 H ATOM 201 HD21 LEU A 31 -9.298 -7.210 -19.054 1.00 0.00 H ATOM 202 HD22 LEU A 31 -10.689 -6.317 -19.716 1.00 0.00 H ATOM 203 HD23 LEU A 31 -9.252 -5.432 -19.149 1.00 0.00 H ATOM 204 HD11 LEU A 31 -9.848 -6.065 -15.537 1.00 0.00 H ATOM 205 HD12 LEU A 31 -8.798 -7.061 -16.574 1.00 0.00 H ATOM 206 HD13 LEU A 31 -8.758 -5.286 -16.711 1.00 0.00 H ATOM 207 H LEU A 31 -12.970 -9.325 -16.544 1.00 0.00 H ATOM 208 N SER A 32 -14.244 -6.264 -16.624 1.00 10.67 N ATOM 209 CA SER A 32 -15.206 -5.168 -16.661 1.00 11.43 C ATOM 210 C SER A 32 -15.693 -4.814 -15.260 1.00 11.74 C ATOM 211 O SER A 32 -15.816 -3.638 -14.918 1.00 12.39 O ATOM 212 CB SER A 32 -16.401 -5.534 -17.544 1.00 10.91 C ATOM 213 OG SER A 32 -17.342 -4.472 -17.585 1.00 10.87 O ATOM 214 HA SER A 32 -14.701 -4.299 -17.082 1.00 0.00 H ATOM 215 HB2 SER A 32 -16.884 -6.424 -17.141 1.00 0.00 H ATOM 216 HB3 SER A 32 -16.049 -5.739 -18.555 1.00 0.00 H ATOM 217 HG SER A 32 -18.105 -4.731 -18.161 1.00 0.00 H ATOM 218 H SER A 32 -14.473 -7.159 -17.102 1.00 0.00 H ATOM 219 N LEU A 33 -15.967 -5.829 -14.447 1.00 11.55 N ATOM 220 CA LEU A 33 -16.371 -5.585 -13.063 1.00 12.44 C ATOM 221 C LEU A 33 -15.259 -4.884 -12.293 1.00 12.60 C ATOM 222 O LEU A 33 -15.503 -3.916 -11.577 1.00 13.82 O ATOM 223 CB LEU A 33 -16.725 -6.899 -12.359 1.00 13.04 C ATOM 224 CG LEU A 33 -17.145 -6.808 -10.884 1.00 14.29 C ATOM 225 CD1 LEU A 33 -17.974 -8.022 -10.514 1.00 17.25 C ATOM 226 CD2 LEU A 33 -15.920 -6.703 -9.986 1.00 16.94 C ATOM 227 HA LEU A 33 -17.252 -4.944 -13.084 1.00 0.00 H ATOM 228 HB2 LEU A 33 -17.548 -7.355 -12.908 1.00 0.00 H ATOM 229 HB3 LEU A 33 -15.850 -7.547 -12.413 1.00 0.00 H ATOM 230 HG LEU A 33 -17.747 -5.911 -10.741 1.00 0.00 H ATOM 231 HD21 LEU A 33 -15.294 -7.585 -10.123 1.00 0.00 H ATOM 232 HD22 LEU A 33 -15.354 -5.810 -10.249 1.00 0.00 H ATOM 233 HD23 LEU A 33 -16.238 -6.640 -8.945 1.00 0.00 H ATOM 234 HD11 LEU A 33 -18.864 -8.058 -11.143 1.00 0.00 H ATOM 235 HD12 LEU A 33 -17.383 -8.925 -10.667 1.00 0.00 H ATOM 236 HD13 LEU A 33 -18.270 -7.953 -9.467 1.00 0.00 H ATOM 237 H LEU A 33 -15.893 -6.805 -14.798 1.00 0.00 H ATOM 238 N LEU A 34 -14.035 -5.378 -12.436 1.00 13.08 N ATOM 239 CA LEU A 34 -12.909 -4.821 -11.698 1.00 14.44 C ATOM 240 C LEU A 34 -12.701 -3.353 -12.036 1.00 15.97 C ATOM 241 O LEU A 34 -12.444 -2.533 -11.152 1.00 16.69 O ATOM 242 CB LEU A 34 -11.633 -5.602 -12.009 1.00 13.62 C ATOM 243 CG LEU A 34 -11.596 -7.050 -11.523 1.00 12.71 C ATOM 244 CD1 LEU A 34 -10.330 -7.703 -12.044 1.00 12.37 C ATOM 245 CD2 LEU A 34 -11.646 -7.103 -10.005 1.00 15.57 C ATOM 246 HA LEU A 34 -13.136 -4.903 -10.635 1.00 0.00 H ATOM 247 HB2 LEU A 34 -11.503 -5.610 -13.091 1.00 0.00 H ATOM 248 HB3 LEU A 34 -10.798 -5.074 -11.548 1.00 0.00 H ATOM 249 HG LEU A 34 -12.465 -7.589 -11.900 1.00 0.00 H ATOM 250 HD21 LEU A 34 -10.788 -6.569 -9.596 1.00 0.00 H ATOM 251 HD22 LEU A 34 -12.567 -6.635 -9.657 1.00 0.00 H ATOM 252 HD23 LEU A 34 -11.619 -8.142 -9.678 1.00 0.00 H ATOM 253 HD11 LEU A 34 -10.331 -7.677 -13.134 1.00 0.00 H ATOM 254 HD12 LEU A 34 -9.462 -7.162 -11.667 1.00 0.00 H ATOM 255 HD13 LEU A 34 -10.290 -8.738 -11.704 1.00 0.00 H ATOM 256 H LEU A 34 -13.877 -6.175 -13.085 1.00 0.00 H ATOM 257 N LYS A 35 -12.815 -3.016 -13.315 1.00 16.77 N ATOM 258 CA LYS A 35 -12.612 -1.639 -13.742 1.00 18.48 C ATOM 259 C LYS A 35 -13.768 -0.744 -13.312 1.00 18.96 C ATOM 260 O LYS A 35 -13.572 0.441 -13.047 1.00 20.34 O ATOM 261 CB LYS A 35 -12.426 -1.574 -15.260 1.00 18.64 C ATOM 262 CG LYS A 35 -11.118 -2.187 -15.732 1.00 19.89 C ATOM 263 CD LYS A 35 -10.795 -1.796 -17.163 1.00 21.70 C ATOM 264 CE LYS A 35 -9.366 -2.171 -17.520 1.00 22.44 C ATOM 265 NZ LYS A 35 -9.043 -1.834 -18.933 1.00 23.88 N ATOM 266 HA LYS A 35 -11.708 -1.271 -13.257 1.00 0.00 H ATOM 267 HB2 LYS A 35 -13.250 -2.109 -15.733 1.00 0.00 H ATOM 268 HB3 LYS A 35 -12.449 -0.528 -15.567 1.00 0.00 H ATOM 269 HG2 LYS A 35 -10.313 -1.844 -15.082 1.00 0.00 H ATOM 270 HG3 LYS A 35 -11.195 -3.273 -15.672 1.00 0.00 H ATOM 271 HD2 LYS A 35 -11.478 -2.312 -17.837 1.00 0.00 H ATOM 272 HD3 LYS A 35 -10.920 -0.719 -17.276 1.00 0.00 H ATOM 273 HE2 LYS A 35 -9.235 -3.243 -17.374 1.00 0.00 H ATOM 274 HE3 LYS A 35 -8.684 -1.630 -16.863 1.00 0.00 H ATOM 275 HZ1 LYS A 35 -9.685 -2.351 -19.567 1.00 0.00 H ATOM 276 HZ2 LYS A 35 -9.159 -0.811 -19.079 1.00 0.00 H ATOM 277 HZ3 LYS A 35 -8.060 -2.105 -19.137 1.00 0.00 H ATOM 278 H LYS A 35 -13.052 -3.743 -14.020 1.00 0.00 H ATOM 279 N SER A 36 -14.967 -1.311 -13.230 1.00 17.96 N ATOM 280 CA SER A 36 -16.118 -0.560 -12.741 1.00 17.95 C ATOM 281 C SER A 36 -15.910 -0.232 -11.267 1.00 18.38 C ATOM 282 O SER A 36 -16.505 0.710 -10.740 1.00 19.45 O ATOM 283 CB SER A 36 -17.408 -1.370 -12.912 1.00 17.63 C ATOM 284 OG SER A 36 -17.591 -2.290 -11.848 1.00 18.05 O ATOM 285 HA SER A 36 -16.211 0.360 -13.319 1.00 0.00 H ATOM 286 HB2 SER A 36 -17.359 -1.920 -13.852 1.00 0.00 H ATOM 287 HB3 SER A 36 -18.256 -0.685 -12.938 1.00 0.00 H ATOM 288 HG SER A 36 -16.827 -2.919 -11.822 1.00 0.00 H ATOM 289 H SER A 36 -15.086 -2.303 -13.518 1.00 0.00 H ATOM 290 N ALA A 37 -15.056 -1.012 -10.610 1.00 17.08 N ATOM 291 CA ALA A 37 -14.758 -0.810 -9.199 1.00 18.43 C ATOM 292 C ALA A 37 -13.530 0.077 -9.017 1.00 18.95 C ATOM 293 O ALA A 37 -13.133 0.378 -7.892 1.00 19.21 O ATOM 294 CB ALA A 37 -14.540 -2.155 -8.516 1.00 18.75 C ATOM 295 HA ALA A 37 -15.609 -0.307 -8.739 1.00 0.00 H ATOM 296 HB1 ALA A 37 -15.442 -2.759 -8.610 1.00 0.00 H ATOM 297 HB2 ALA A 37 -13.705 -2.671 -8.990 1.00 0.00 H ATOM 298 HB3 ALA A 37 -14.318 -1.994 -7.461 1.00 0.00 H ATOM 299 H ALA A 37 -14.588 -1.789 -11.119 1.00 0.00 H ATOM 300 N GLY A 38 -12.927 0.491 -10.126 1.00 19.74 N ATOM 301 CA GLY A 38 -11.832 1.441 -10.047 1.00 21.32 C ATOM 302 C GLY A 38 -10.485 0.920 -10.511 1.00 21.51 C ATOM 303 O GLY A 38 -9.512 1.672 -10.547 1.00 22.22 O ATOM 304 HA3 GLY A 38 -11.732 1.754 -9.008 1.00 0.00 H ATOM 305 HA2 GLY A 38 -12.089 2.303 -10.662 1.00 0.00 H ATOM 306 H GLY A 38 -13.240 0.134 -11.052 1.00 0.00 H ATOM 307 N ALA A 39 -10.417 -0.359 -10.868 1.00 21.25 N ATOM 308 CA ALA A 39 -9.173 -0.933 -11.371 1.00 21.08 C ATOM 309 C ALA A 39 -8.791 -0.288 -12.702 1.00 21.30 C ATOM 310 O ALA A 39 -9.658 0.048 -13.511 1.00 20.77 O ATOM 311 CB ALA A 39 -9.325 -2.441 -11.540 1.00 20.51 C ATOM 312 HA ALA A 39 -8.379 -0.737 -10.650 1.00 0.00 H ATOM 313 HB1 ALA A 39 -9.564 -2.891 -10.577 1.00 0.00 H ATOM 314 HB2 ALA A 39 -10.128 -2.647 -12.248 1.00 0.00 H ATOM 315 HB3 ALA A 39 -8.391 -2.859 -11.916 1.00 0.00 H ATOM 316 H ALA A 39 -11.263 -0.959 -10.788 1.00 0.00 H ATOM 317 N GLN A 40 -7.492 -0.115 -12.927 1.00 22.27 N ATOM 318 CA GLN A 40 -7.018 0.622 -14.094 1.00 24.43 C ATOM 319 C GLN A 40 -5.925 -0.105 -14.874 1.00 23.62 C ATOM 320 O GLN A 40 -5.166 0.518 -15.618 1.00 24.52 O ATOM 321 CB GLN A 40 -6.509 2.001 -13.666 1.00 26.56 C ATOM 322 CG GLN A 40 -7.558 2.851 -12.968 1.00 31.26 C ATOM 323 CD GLN A 40 -7.007 4.177 -12.485 1.00 33.37 C ATOM 324 OE1 GLN A 40 -5.871 4.538 -12.793 1.00 34.90 O ATOM 325 NE2 GLN A 40 -7.810 4.910 -11.724 1.00 35.29 N ATOM 326 HA GLN A 40 -7.872 0.717 -14.765 1.00 0.00 H ATOM 327 HB2 GLN A 40 -5.670 1.862 -12.985 1.00 0.00 H ATOM 328 HB3 GLN A 40 -6.170 2.534 -14.554 1.00 0.00 H ATOM 329 HG2 GLN A 40 -8.372 3.045 -13.667 1.00 0.00 H ATOM 330 HG3 GLN A 40 -7.941 2.298 -12.110 1.00 0.00 H ATOM 331 HE22 GLN A 40 -8.762 4.564 -11.489 1.00 0.00 H ATOM 332 HE21 GLN A 40 -7.487 5.830 -11.362 1.00 0.00 H ATOM 333 H GLN A 40 -6.801 -0.512 -12.259 1.00 0.00 H ATOM 334 N LYS A 41 -5.840 -1.420 -14.702 1.00 21.40 N ATOM 335 CA LYS A 41 -4.896 -2.222 -15.471 1.00 19.78 C ATOM 336 C LYS A 41 -5.518 -3.551 -15.888 1.00 17.29 C ATOM 337 O LYS A 41 -6.689 -3.807 -15.607 1.00 16.93 O ATOM 338 CB LYS A 41 -3.620 -2.463 -14.659 1.00 21.34 C ATOM 339 CG LYS A 41 -3.847 -3.077 -13.292 1.00 21.11 C ATOM 340 CD LYS A 41 -2.577 -3.010 -12.460 1.00 23.56 C ATOM 341 CE LYS A 41 -2.759 -3.671 -11.106 1.00 24.28 C ATOM 342 NZ LYS A 41 -1.635 -3.342 -10.187 1.00 25.61 N ATOM 343 HA LYS A 41 -4.640 -1.670 -16.375 1.00 0.00 H ATOM 344 HB2 LYS A 41 -2.975 -3.132 -15.229 1.00 0.00 H ATOM 345 HB3 LYS A 41 -3.118 -1.505 -14.522 1.00 0.00 H ATOM 346 HG2 LYS A 41 -4.640 -2.531 -12.781 1.00 0.00 H ATOM 347 HG3 LYS A 41 -4.143 -4.119 -13.411 1.00 0.00 H ATOM 348 HD2 LYS A 41 -1.775 -3.518 -12.997 1.00 0.00 H ATOM 349 HD3 LYS A 41 -2.307 -1.965 -12.310 1.00 0.00 H ATOM 350 HE2 LYS A 41 -2.803 -4.752 -11.241 1.00 0.00 H ATOM 351 HE3 LYS A 41 -3.693 -3.324 -10.664 1.00 0.00 H ATOM 352 HZ1 LYS A 41 -0.741 -3.676 -10.601 1.00 0.00 H ATOM 353 HZ2 LYS A 41 -1.591 -2.312 -10.049 1.00 0.00 H ATOM 354 HZ3 LYS A 41 -1.790 -3.809 -9.271 1.00 0.00 H ATOM 355 H LYS A 41 -6.458 -1.885 -14.007 1.00 0.00 H ATOM 356 N GLU A 42 -4.734 -4.385 -16.567 1.00 15.86 N ATOM 357 CA GLU A 42 -5.251 -5.628 -17.133 1.00 15.61 C ATOM 358 C GLU A 42 -4.747 -6.892 -16.439 1.00 12.91 C ATOM 359 O GLU A 42 -5.323 -7.964 -16.611 1.00 11.58 O ATOM 360 CB GLU A 42 -4.922 -5.707 -18.627 1.00 19.13 C ATOM 361 CG GLU A 42 -5.817 -4.844 -19.507 1.00 24.06 C ATOM 362 CD GLU A 42 -5.610 -3.362 -19.273 1.00 27.47 C ATOM 363 OE1 GLU A 42 -4.490 -2.971 -18.885 1.00 31.12 O ATOM 364 OE2 GLU A 42 -6.567 -2.587 -19.478 1.00 30.32 O ATOM 365 HA GLU A 42 -6.329 -5.595 -16.973 1.00 0.00 H ATOM 366 HB2 GLU A 42 -3.890 -5.386 -18.768 1.00 0.00 H ATOM 367 HB3 GLU A 42 -5.025 -6.744 -18.946 1.00 0.00 H ATOM 368 HG2 GLU A 42 -5.599 -5.067 -20.552 1.00 0.00 H ATOM 369 HG3 GLU A 42 -6.857 -5.089 -19.294 1.00 0.00 H ATOM 370 H GLU A 42 -3.730 -4.146 -16.697 1.00 0.00 H ATOM 371 N THR A 43 -3.666 -6.775 -15.674 1.00 10.92 N ATOM 372 CA THR A 43 -3.167 -7.898 -14.892 1.00 10.96 C ATOM 373 C THR A 43 -2.971 -7.482 -13.443 1.00 9.83 C ATOM 374 O THR A 43 -2.757 -6.305 -13.147 1.00 11.95 O ATOM 375 CB THR A 43 -1.838 -8.454 -15.468 1.00 11.26 C ATOM 376 OG1 THR A 43 -0.867 -7.404 -15.561 1.00 14.26 O ATOM 377 CG2 THR A 43 -2.073 -9.056 -16.848 1.00 11.90 C ATOM 378 HA THR A 43 -3.911 -8.693 -14.944 1.00 0.00 H ATOM 379 HB THR A 43 -1.466 -9.230 -14.799 1.00 0.00 H ATOM 380 HG1 THR A 43 -0.701 -7.029 -14.660 1.00 0.00 H ATOM 381 HG23 THR A 43 -2.812 -9.854 -16.774 1.00 0.00 H ATOM 382 HG21 THR A 43 -2.439 -8.282 -17.523 1.00 0.00 H ATOM 383 HG22 THR A 43 -1.136 -9.461 -17.231 1.00 0.00 H ATOM 384 H THR A 43 -3.167 -5.864 -15.633 1.00 0.00 H ATOM 385 N PHE A 44 -3.066 -8.457 -12.545 1.00 8.72 N ATOM 386 CA PHE A 44 -3.210 -8.195 -11.115 1.00 9.13 C ATOM 387 C PHE A 44 -2.591 -9.340 -10.333 1.00 8.66 C ATOM 388 O PHE A 44 -2.530 -10.463 -10.819 1.00 9.30 O ATOM 389 CB PHE A 44 -4.690 -8.129 -10.731 1.00 9.83 C ATOM 390 CG PHE A 44 -5.473 -7.088 -11.468 1.00 10.64 C ATOM 391 CD1 PHE A 44 -6.077 -7.381 -12.680 1.00 10.46 C ATOM 392 CD2 PHE A 44 -5.643 -5.827 -10.925 1.00 11.17 C ATOM 393 CE1 PHE A 44 -6.838 -6.434 -13.335 1.00 12.36 C ATOM 394 CE2 PHE A 44 -6.404 -4.874 -11.575 1.00 12.32 C ATOM 395 CZ PHE A 44 -7.003 -5.179 -12.781 1.00 12.92 C ATOM 396 HA PHE A 44 -2.720 -7.248 -10.889 1.00 0.00 H ATOM 397 HB2 PHE A 44 -5.139 -9.101 -10.934 1.00 0.00 H ATOM 398 HB3 PHE A 44 -4.757 -7.915 -9.664 1.00 0.00 H ATOM 399 HD2 PHE A 44 -5.171 -5.582 -9.973 1.00 0.00 H ATOM 400 HE2 PHE A 44 -6.531 -3.884 -11.137 1.00 0.00 H ATOM 401 HZ PHE A 44 -7.605 -4.430 -13.296 1.00 0.00 H ATOM 402 HE1 PHE A 44 -7.308 -6.676 -14.288 1.00 0.00 H ATOM 403 HD1 PHE A 44 -5.950 -8.370 -13.121 1.00 0.00 H ATOM 404 H PHE A 44 -3.037 -9.444 -12.873 1.00 0.00 H ATOM 405 N THR A 45 -2.167 -9.072 -9.104 1.00 8.59 N ATOM 406 CA THR A 45 -1.923 -10.169 -8.181 1.00 8.27 C ATOM 407 C THR A 45 -3.289 -10.666 -7.709 1.00 8.62 C ATOM 408 O THR A 45 -4.288 -9.953 -7.821 1.00 8.43 O ATOM 409 CB THR A 45 -1.121 -9.715 -6.956 1.00 8.74 C ATOM 410 OG1 THR A 45 -1.892 -8.756 -6.222 1.00 9.84 O ATOM 411 CG2 THR A 45 0.205 -9.099 -7.383 1.00 9.70 C ATOM 412 HA THR A 45 -1.348 -10.944 -8.687 1.00 0.00 H ATOM 413 HB THR A 45 -0.909 -10.579 -6.326 1.00 0.00 H ATOM 414 HG1 THR A 45 -1.379 -8.459 -5.429 1.00 0.00 H ATOM 415 HG23 THR A 45 0.784 -9.836 -7.940 1.00 0.00 H ATOM 416 HG21 THR A 45 0.014 -8.231 -8.015 1.00 0.00 H ATOM 417 HG22 THR A 45 0.762 -8.791 -6.499 1.00 0.00 H ATOM 418 H THR A 45 -2.011 -8.088 -8.804 1.00 0.00 H ATOM 419 N MET A 46 -3.345 -11.884 -7.187 1.00 8.58 N ATOM 420 CA MET A 46 -4.602 -12.374 -6.648 1.00 9.47 C ATOM 421 C MET A 46 -5.082 -11.470 -5.521 1.00 9.85 C ATOM 422 O MET A 46 -6.280 -11.235 -5.377 1.00 9.40 O ATOM 423 CB MET A 46 -4.455 -13.810 -6.142 1.00 10.65 C ATOM 424 CG MET A 46 -4.515 -14.869 -7.238 1.00 11.71 C ATOM 425 SD MET A 46 -6.070 -14.863 -8.161 1.00 14.29 S ATOM 426 CE MET A 46 -7.236 -15.254 -6.857 1.00 15.32 C ATOM 427 HA MET A 46 -5.341 -12.365 -7.449 1.00 0.00 H ATOM 428 HB2 MET A 46 -3.494 -13.897 -5.634 1.00 0.00 H ATOM 429 HB3 MET A 46 -5.259 -14.006 -5.432 1.00 0.00 H ATOM 430 HG2 MET A 46 -4.390 -15.849 -6.778 1.00 0.00 H ATOM 431 HG3 MET A 46 -3.698 -14.690 -7.937 1.00 0.00 H ATOM 432 HE1 MET A 46 -6.987 -16.224 -6.427 1.00 0.00 H ATOM 433 HE2 MET A 46 -7.184 -14.488 -6.083 1.00 0.00 H ATOM 434 HE3 MET A 46 -8.244 -15.287 -7.270 1.00 0.00 H ATOM 435 H MET A 46 -2.496 -12.484 -7.164 1.00 0.00 H ATOM 436 N LYS A 47 -4.147 -10.946 -4.735 1.00 10.04 N ATOM 437 CA LYS A 47 -4.511 -10.050 -3.645 1.00 9.72 C ATOM 438 C LYS A 47 -5.243 -8.828 -4.186 1.00 8.83 C ATOM 439 O LYS A 47 -6.222 -8.373 -3.598 1.00 8.87 O ATOM 440 CB LYS A 47 -3.267 -9.602 -2.871 1.00 12.06 C ATOM 441 CG LYS A 47 -3.567 -8.603 -1.760 1.00 13.70 C ATOM 442 CD LYS A 47 -2.319 -8.257 -0.960 1.00 17.95 C ATOM 443 CE LYS A 47 -2.658 -7.380 0.240 1.00 20.19 C ATOM 444 NZ LYS A 47 -1.432 -6.928 0.961 1.00 22.72 N ATOM 445 HA LYS A 47 -5.170 -10.593 -2.968 1.00 0.00 H ATOM 446 HB2 LYS A 47 -2.801 -10.482 -2.427 1.00 0.00 H ATOM 447 HB3 LYS A 47 -2.572 -9.140 -3.572 1.00 0.00 H ATOM 448 HG2 LYS A 47 -3.967 -7.691 -2.203 1.00 0.00 H ATOM 449 HG3 LYS A 47 -4.309 -9.034 -1.088 1.00 0.00 H ATOM 450 HD2 LYS A 47 -1.856 -9.178 -0.608 1.00 0.00 H ATOM 451 HD3 LYS A 47 -1.620 -7.724 -1.604 1.00 0.00 H ATOM 452 HE2 LYS A 47 -3.282 -7.950 0.928 1.00 0.00 H ATOM 453 HE3 LYS A 47 -3.207 -6.504 -0.107 1.00 0.00 H ATOM 454 HZ1 LYS A 47 -0.905 -7.758 1.301 1.00 0.00 H ATOM 455 HZ2 LYS A 47 -0.833 -6.378 0.313 1.00 0.00 H ATOM 456 HZ3 LYS A 47 -1.706 -6.334 1.770 1.00 0.00 H ATOM 457 H LYS A 47 -3.147 -11.178 -4.899 1.00 0.00 H ATOM 458 N GLU A 48 -4.772 -8.299 -5.310 1.00 8.56 N ATOM 459 CA GLU A 48 -5.408 -7.143 -5.928 1.00 8.65 C ATOM 460 C GLU A 48 -6.790 -7.469 -6.481 1.00 8.12 C ATOM 461 O GLU A 48 -7.723 -6.676 -6.340 1.00 8.07 O ATOM 462 CB GLU A 48 -4.522 -6.585 -7.044 1.00 9.85 C ATOM 463 CG GLU A 48 -3.288 -5.865 -6.533 1.00 10.39 C ATOM 464 CD GLU A 48 -2.328 -5.467 -7.639 1.00 13.28 C ATOM 465 OE1 GLU A 48 -2.232 -6.199 -8.647 1.00 11.34 O ATOM 466 OE2 GLU A 48 -1.664 -4.421 -7.495 1.00 17.15 O ATOM 467 HA GLU A 48 -5.535 -6.392 -5.148 1.00 0.00 H ATOM 468 HB2 GLU A 48 -4.202 -7.412 -7.677 1.00 0.00 H ATOM 469 HB3 GLU A 48 -5.111 -5.884 -7.635 1.00 0.00 H ATOM 470 HG2 GLU A 48 -3.605 -4.964 -6.008 1.00 0.00 H ATOM 471 HG3 GLU A 48 -2.765 -6.523 -5.840 1.00 0.00 H ATOM 472 H GLU A 48 -3.932 -8.719 -5.758 1.00 0.00 H ATOM 473 N VAL A 49 -6.928 -8.631 -7.113 1.00 7.54 N ATOM 474 CA VAL A 49 -8.228 -9.022 -7.642 1.00 7.77 C ATOM 475 C VAL A 49 -9.233 -9.119 -6.493 1.00 7.65 C ATOM 476 O VAL A 49 -10.359 -8.628 -6.585 1.00 8.44 O ATOM 477 CB VAL A 49 -8.165 -10.388 -8.352 1.00 8.97 C ATOM 478 CG1 VAL A 49 -9.563 -10.816 -8.773 1.00 8.96 C ATOM 479 CG2 VAL A 49 -7.253 -10.309 -9.561 1.00 9.30 C ATOM 480 HA VAL A 49 -8.534 -8.267 -8.366 1.00 0.00 H ATOM 481 HB VAL A 49 -7.761 -11.128 -7.661 1.00 0.00 H ATOM 482 HG11 VAL A 49 -10.198 -10.897 -7.891 1.00 0.00 H ATOM 483 HG12 VAL A 49 -9.979 -10.074 -9.455 1.00 0.00 H ATOM 484 HG13 VAL A 49 -9.510 -11.782 -9.274 1.00 0.00 H ATOM 485 HG21 VAL A 49 -7.637 -9.563 -10.256 1.00 0.00 H ATOM 486 HG22 VAL A 49 -6.250 -10.027 -9.240 1.00 0.00 H ATOM 487 HG23 VAL A 49 -7.218 -11.281 -10.052 1.00 0.00 H ATOM 488 H VAL A 49 -6.108 -9.260 -7.230 1.00 0.00 H ATOM 489 N LEU A 50 -8.810 -9.749 -5.404 1.00 7.50 N ATOM 490 CA LEU A 50 -9.668 -9.904 -4.236 1.00 8.05 C ATOM 491 C LEU A 50 -10.016 -8.554 -3.624 1.00 8.55 C ATOM 492 O LEU A 50 -11.145 -8.338 -3.181 1.00 9.08 O ATOM 493 CB LEU A 50 -8.982 -10.794 -3.201 1.00 9.12 C ATOM 494 CG LEU A 50 -8.965 -12.266 -3.619 1.00 10.65 C ATOM 495 CD1 LEU A 50 -7.855 -13.010 -2.894 1.00 11.87 C ATOM 496 CD2 LEU A 50 -10.324 -12.892 -3.334 1.00 11.13 C ATOM 497 HA LEU A 50 -10.597 -10.375 -4.555 1.00 0.00 H ATOM 498 HB2 LEU A 50 -7.954 -10.454 -3.072 1.00 0.00 H ATOM 499 HB3 LEU A 50 -9.514 -10.705 -2.254 1.00 0.00 H ATOM 500 HG LEU A 50 -8.767 -12.336 -4.689 1.00 0.00 H ATOM 501 HD21 LEU A 50 -10.540 -12.819 -2.268 1.00 0.00 H ATOM 502 HD22 LEU A 50 -11.092 -12.363 -3.898 1.00 0.00 H ATOM 503 HD23 LEU A 50 -10.310 -13.940 -3.632 1.00 0.00 H ATOM 504 HD11 LEU A 50 -6.894 -12.559 -3.142 1.00 0.00 H ATOM 505 HD12 LEU A 50 -8.020 -12.948 -1.818 1.00 0.00 H ATOM 506 HD13 LEU A 50 -7.858 -14.055 -3.203 1.00 0.00 H ATOM 507 H LEU A 50 -7.847 -10.140 -5.384 1.00 0.00 H ATOM 508 N TYR A 51 -9.059 -7.635 -3.610 1.00 8.38 N ATOM 509 CA TYR A 51 -9.328 -6.319 -3.052 1.00 8.54 C ATOM 510 C TYR A 51 -10.452 -5.632 -3.819 1.00 8.20 C ATOM 511 O TYR A 51 -11.423 -5.164 -3.225 1.00 8.85 O ATOM 512 CB TYR A 51 -8.079 -5.437 -3.096 1.00 9.38 C ATOM 513 CG TYR A 51 -8.356 -4.030 -2.617 1.00 8.93 C ATOM 514 CD1 TYR A 51 -8.506 -3.754 -1.263 1.00 10.79 C ATOM 515 CD2 TYR A 51 -8.533 -2.990 -3.518 1.00 10.02 C ATOM 516 CE1 TYR A 51 -8.833 -2.484 -0.822 1.00 11.45 C ATOM 517 CE2 TYR A 51 -8.859 -1.715 -3.085 1.00 10.73 C ATOM 518 CZ TYR A 51 -9.011 -1.470 -1.737 1.00 10.75 C ATOM 519 OH TYR A 51 -9.366 -0.210 -1.301 1.00 11.97 O ATOM 520 HA TYR A 51 -9.628 -6.458 -2.013 1.00 0.00 H ATOM 521 HB3 TYR A 51 -7.716 -5.393 -4.123 1.00 0.00 H ATOM 522 HB2 TYR A 51 -7.313 -5.880 -2.460 1.00 0.00 H ATOM 523 HD2 TYR A 51 -8.414 -3.179 -4.585 1.00 0.00 H ATOM 524 HE2 TYR A 51 -8.995 -0.910 -3.807 1.00 0.00 H ATOM 525 HE1 TYR A 51 -8.949 -2.287 0.244 1.00 0.00 H ATOM 526 HD1 TYR A 51 -8.363 -4.553 -0.535 1.00 0.00 H ATOM 527 HH TYR A 51 -8.679 0.443 -1.588 1.00 0.00 H ATOM 528 H TYR A 51 -8.119 -7.855 -3.997 1.00 0.00 H ATOM 529 N HIS A 52 -10.319 -5.563 -5.138 1.00 8.61 N ATOM 530 CA HIS A 52 -11.326 -4.898 -5.949 1.00 9.37 C ATOM 531 C HIS A 52 -12.684 -5.591 -5.878 1.00 8.46 C ATOM 532 O HIS A 52 -13.719 -4.933 -5.858 1.00 8.22 O ATOM 533 CB HIS A 52 -10.860 -4.808 -7.402 1.00 10.36 C ATOM 534 CG HIS A 52 -9.686 -3.900 -7.602 1.00 12.71 C ATOM 535 ND1 HIS A 52 -9.721 -2.559 -7.284 1.00 14.07 N ATOM 536 CD2 HIS A 52 -8.441 -4.142 -8.074 1.00 12.75 C ATOM 537 CE1 HIS A 52 -8.547 -2.015 -7.551 1.00 14.74 C ATOM 538 NE2 HIS A 52 -7.752 -2.954 -8.031 1.00 15.57 N ATOM 539 HA HIS A 52 -11.453 -3.895 -5.542 1.00 0.00 H ATOM 540 HB2 HIS A 52 -10.584 -5.808 -7.738 1.00 0.00 H ATOM 541 HB3 HIS A 52 -11.688 -4.439 -8.007 1.00 0.00 H ATOM 542 HD2 HIS A 52 -8.057 -5.100 -8.423 1.00 0.00 H ATOM 543 HE1 HIS A 52 -8.280 -0.969 -7.401 1.00 0.00 H ATOM 544 H HIS A 52 -9.487 -5.988 -5.595 1.00 0.00 H ATOM 545 N LEU A 53 -12.695 -6.918 -5.827 1.00 7.74 N ATOM 546 CA LEU A 53 -13.958 -7.626 -5.654 1.00 9.23 C ATOM 547 C LEU A 53 -14.608 -7.277 -4.317 1.00 7.70 C ATOM 548 O LEU A 53 -15.828 -7.113 -4.228 1.00 8.72 O ATOM 549 CB LEU A 53 -13.738 -9.138 -5.747 1.00 9.03 C ATOM 550 CG LEU A 53 -13.591 -9.706 -7.162 1.00 11.26 C ATOM 551 CD1 LEU A 53 -13.003 -11.102 -7.083 1.00 12.61 C ATOM 552 CD2 LEU A 53 -14.943 -9.729 -7.862 1.00 13.12 C ATOM 553 HA LEU A 53 -14.629 -7.312 -6.453 1.00 0.00 H ATOM 554 HB2 LEU A 53 -12.830 -9.378 -5.194 1.00 0.00 H ATOM 555 HB3 LEU A 53 -14.589 -9.629 -5.276 1.00 0.00 H ATOM 556 HG LEU A 53 -12.921 -9.071 -7.742 1.00 0.00 H ATOM 557 HD21 LEU A 53 -15.633 -10.354 -7.296 1.00 0.00 H ATOM 558 HD22 LEU A 53 -15.336 -8.714 -7.923 1.00 0.00 H ATOM 559 HD23 LEU A 53 -14.824 -10.135 -8.867 1.00 0.00 H ATOM 560 HD11 LEU A 53 -12.025 -11.056 -6.604 1.00 0.00 H ATOM 561 HD12 LEU A 53 -13.665 -11.741 -6.499 1.00 0.00 H ATOM 562 HD13 LEU A 53 -12.898 -11.508 -8.089 1.00 0.00 H ATOM 563 H LEU A 53 -11.806 -7.451 -5.910 1.00 0.00 H ATOM 564 N GLY A 54 -13.793 -7.166 -3.275 1.00 8.34 N ATOM 565 CA GLY A 54 -14.316 -6.764 -1.983 1.00 8.25 C ATOM 566 C GLY A 54 -14.905 -5.364 -2.007 1.00 8.16 C ATOM 567 O GLY A 54 -15.907 -5.091 -1.344 1.00 8.67 O ATOM 568 HA3 GLY A 54 -13.507 -6.791 -1.253 1.00 0.00 H ATOM 569 HA2 GLY A 54 -15.095 -7.467 -1.686 1.00 0.00 H ATOM 570 H GLY A 54 -12.779 -7.367 -3.385 1.00 0.00 H ATOM 571 N GLN A 55 -14.291 -4.472 -2.775 1.00 7.91 N ATOM 572 CA GLN A 55 -14.800 -3.113 -2.905 1.00 9.98 C ATOM 573 C GLN A 55 -16.150 -3.125 -3.613 1.00 8.52 C ATOM 574 O GLN A 55 -17.078 -2.429 -3.211 1.00 9.54 O ATOM 575 CB GLN A 55 -13.803 -2.252 -3.682 1.00 8.59 C ATOM 576 CG GLN A 55 -12.489 -2.025 -2.950 1.00 9.64 C ATOM 577 CD GLN A 55 -12.666 -1.153 -1.726 1.00 8.99 C ATOM 578 OE1 GLN A 55 -12.958 0.037 -1.841 1.00 10.10 O ATOM 579 NE2 GLN A 55 -12.507 -1.742 -0.549 1.00 9.72 N ATOM 580 HA GLN A 55 -14.930 -2.688 -1.910 1.00 0.00 H ATOM 581 HB2 GLN A 55 -13.588 -2.745 -4.630 1.00 0.00 H ATOM 582 HB3 GLN A 55 -14.262 -1.282 -3.874 1.00 0.00 H ATOM 583 HG2 GLN A 55 -12.087 -2.990 -2.640 1.00 0.00 H ATOM 584 HG3 GLN A 55 -11.787 -1.541 -3.629 1.00 0.00 H ATOM 585 HE22 GLN A 55 -12.260 -2.751 -0.502 1.00 0.00 H ATOM 586 HE21 GLN A 55 -12.629 -1.195 0.327 1.00 0.00 H ATOM 587 H GLN A 55 -13.432 -4.748 -3.293 1.00 0.00 H ATOM 588 N TYR A 56 -16.256 -3.929 -4.665 1.00 8.76 N ATOM 589 CA TYR A 56 -17.506 -4.046 -5.409 1.00 8.38 C ATOM 590 C TYR A 56 -18.634 -4.571 -4.522 1.00 8.05 C ATOM 591 O TYR A 56 -19.736 -4.031 -4.518 1.00 7.95 O ATOM 592 CB TYR A 56 -17.308 -4.978 -6.609 1.00 8.45 C ATOM 593 CG TYR A 56 -18.564 -5.270 -7.402 1.00 8.54 C ATOM 594 CD1 TYR A 56 -18.906 -4.502 -8.508 1.00 10.18 C ATOM 595 CD2 TYR A 56 -19.396 -6.328 -7.054 1.00 9.20 C ATOM 596 CE1 TYR A 56 -20.044 -4.782 -9.250 1.00 9.54 C ATOM 597 CE2 TYR A 56 -20.532 -6.615 -7.785 1.00 8.27 C ATOM 598 CZ TYR A 56 -20.851 -5.840 -8.881 1.00 9.20 C ATOM 599 OH TYR A 56 -21.985 -6.119 -9.609 1.00 10.69 O ATOM 600 HA TYR A 56 -17.788 -3.053 -5.759 1.00 0.00 H ATOM 601 HB3 TYR A 56 -16.911 -5.924 -6.241 1.00 0.00 H ATOM 602 HB2 TYR A 56 -16.583 -4.518 -7.280 1.00 0.00 H ATOM 603 HD2 TYR A 56 -19.147 -6.942 -6.189 1.00 0.00 H ATOM 604 HE2 TYR A 56 -21.173 -7.449 -7.498 1.00 0.00 H ATOM 605 HE1 TYR A 56 -20.299 -4.172 -10.117 1.00 0.00 H ATOM 606 HD1 TYR A 56 -18.270 -3.666 -8.797 1.00 0.00 H ATOM 607 HH TYR A 56 -22.779 -6.046 -9.022 1.00 0.00 H ATOM 608 H TYR A 56 -15.431 -4.487 -4.965 1.00 0.00 H ATOM 609 N ILE A 57 -18.346 -5.624 -3.767 1.00 7.94 N ATOM 610 CA ILE A 57 -19.338 -6.251 -2.898 1.00 8.54 C ATOM 611 C ILE A 57 -19.813 -5.280 -1.823 1.00 8.91 C ATOM 612 O ILE A 57 -21.014 -5.162 -1.548 1.00 8.88 O ATOM 613 CB ILE A 57 -18.737 -7.513 -2.250 1.00 9.62 C ATOM 614 CG1 ILE A 57 -18.540 -8.580 -3.329 1.00 9.77 C ATOM 615 CG2 ILE A 57 -19.612 -8.002 -1.103 1.00 10.72 C ATOM 616 CD1 ILE A 57 -17.666 -9.729 -2.898 1.00 12.23 C ATOM 617 HA ILE A 57 -20.201 -6.532 -3.502 1.00 0.00 H ATOM 618 HB ILE A 57 -17.764 -7.281 -1.816 1.00 0.00 H ATOM 619 HG12 ILE A 57 -19.518 -8.976 -3.603 1.00 0.00 H ATOM 620 HG13 ILE A 57 -18.083 -8.108 -4.199 1.00 0.00 H ATOM 621 HD11 ILE A 57 -16.678 -9.353 -2.631 1.00 0.00 H ATOM 622 HD12 ILE A 57 -18.114 -10.221 -2.035 1.00 0.00 H ATOM 623 HD13 ILE A 57 -17.575 -10.442 -3.717 1.00 0.00 H ATOM 624 HG21 ILE A 57 -19.688 -7.221 -0.347 1.00 0.00 H ATOM 625 HG22 ILE A 57 -20.606 -8.240 -1.482 1.00 0.00 H ATOM 626 HG23 ILE A 57 -19.166 -8.894 -0.662 1.00 0.00 H ATOM 627 H ILE A 57 -17.383 -6.015 -3.795 1.00 0.00 H ATOM 628 N MET A 58 -18.867 -4.558 -1.241 1.00 8.99 N ATOM 629 CA MET A 58 -19.188 -3.514 -0.277 1.00 9.07 C ATOM 630 C MET A 58 -20.031 -2.398 -0.882 1.00 8.79 C ATOM 631 O MET A 58 -21.039 -1.987 -0.309 1.00 9.63 O ATOM 632 CB MET A 58 -17.903 -2.916 0.284 1.00 11.47 C ATOM 633 CG MET A 58 -18.082 -1.516 0.842 1.00 18.00 C ATOM 634 SD MET A 58 -16.573 -0.926 1.598 1.00 19.86 S ATOM 635 CE MET A 58 -16.222 -2.270 2.575 1.00 22.81 C ATOM 636 HA MET A 58 -19.773 -3.982 0.515 1.00 0.00 H ATOM 637 HB2 MET A 58 -17.541 -3.563 1.083 1.00 0.00 H ATOM 638 HB3 MET A 58 -17.162 -2.878 -0.515 1.00 0.00 H ATOM 639 HG2 MET A 58 -18.874 -1.530 1.591 1.00 0.00 H ATOM 640 HG3 MET A 58 -18.361 -0.843 0.032 1.00 0.00 H ATOM 641 HE1 MET A 58 -17.042 -2.434 3.274 1.00 0.00 H ATOM 642 HE2 MET A 58 -16.097 -3.152 1.946 1.00 0.00 H ATOM 643 HE3 MET A 58 -15.302 -2.084 3.130 1.00 0.00 H ATOM 644 H MET A 58 -17.871 -4.741 -1.478 1.00 0.00 H ATOM 645 N ALA A 59 -19.609 -1.904 -2.039 1.00 9.80 N ATOM 646 CA ALA A 59 -20.281 -0.785 -2.692 1.00 9.14 C ATOM 647 C ALA A 59 -21.711 -1.131 -3.093 1.00 10.56 C ATOM 648 O ALA A 59 -22.606 -0.287 -3.028 1.00 10.06 O ATOM 649 CB ALA A 59 -19.500 -0.355 -3.914 1.00 10.92 C ATOM 650 HA ALA A 59 -20.326 0.033 -1.973 1.00 0.00 H ATOM 651 HB1 ALA A 59 -18.498 -0.047 -3.614 1.00 0.00 H ATOM 652 HB2 ALA A 59 -19.431 -1.190 -4.612 1.00 0.00 H ATOM 653 HB3 ALA A 59 -20.010 0.480 -4.394 1.00 0.00 H ATOM 654 H ALA A 59 -18.775 -2.327 -2.494 1.00 0.00 H ATOM 655 N LYS A 60 -21.922 -2.372 -3.518 1.00 10.00 N ATOM 656 CA LYS A 60 -23.244 -2.828 -3.935 1.00 11.91 C ATOM 657 C LYS A 60 -24.087 -3.297 -2.751 1.00 10.04 C ATOM 658 O LYS A 60 -25.253 -3.657 -2.920 1.00 12.26 O ATOM 659 CB LYS A 60 -23.118 -3.970 -4.948 1.00 11.82 C ATOM 660 CG LYS A 60 -22.517 -3.574 -6.284 1.00 15.60 C ATOM 661 CD LYS A 60 -23.452 -2.664 -7.052 1.00 20.68 C ATOM 662 CE LYS A 60 -22.857 -2.267 -8.390 1.00 22.34 C ATOM 663 NZ LYS A 60 -23.747 -1.319 -9.116 1.00 26.63 N ATOM 664 HA LYS A 60 -23.746 -1.977 -4.395 1.00 0.00 H ATOM 665 HB2 LYS A 60 -22.489 -4.745 -4.509 1.00 0.00 H ATOM 666 HB3 LYS A 60 -24.114 -4.373 -5.130 1.00 0.00 H ATOM 667 HG2 LYS A 60 -21.575 -3.054 -6.111 1.00 0.00 H ATOM 668 HG3 LYS A 60 -22.331 -4.473 -6.872 1.00 0.00 H ATOM 669 HD2 LYS A 60 -24.394 -3.184 -7.222 1.00 0.00 H ATOM 670 HD3 LYS A 60 -23.636 -1.765 -6.464 1.00 0.00 H ATOM 671 HE2 LYS A 60 -22.719 -3.161 -8.997 1.00 0.00 H ATOM 672 HE3 LYS A 60 -21.891 -1.791 -8.222 1.00 0.00 H ATOM 673 HZ1 LYS A 60 -24.669 -1.770 -9.283 1.00 0.00 H ATOM 674 HZ2 LYS A 60 -23.878 -0.461 -8.543 1.00 0.00 H ATOM 675 HZ3 LYS A 60 -23.313 -1.066 -10.027 1.00 0.00 H ATOM 676 H LYS A 60 -21.123 -3.037 -3.554 1.00 0.00 H ATOM 677 N GLN A 61 -23.494 -3.307 -1.561 1.00 10.22 N ATOM 678 CA GLN A 61 -24.224 -3.659 -0.349 1.00 11.24 C ATOM 679 C GLN A 61 -24.739 -5.100 -0.406 1.00 10.82 C ATOM 680 O GLN A 61 -25.887 -5.377 -0.047 1.00 12.48 O ATOM 681 CB GLN A 61 -25.394 -2.686 -0.163 1.00 16.42 C ATOM 682 CG GLN A 61 -26.051 -2.709 1.204 1.00 22.21 C ATOM 683 CD GLN A 61 -26.997 -1.538 1.402 1.00 24.83 C ATOM 684 OE1 GLN A 61 -28.217 -1.695 1.366 1.00 28.19 O ATOM 685 NE2 GLN A 61 -26.434 -0.353 1.609 1.00 28.75 N ATOM 686 HA GLN A 61 -23.544 -3.585 0.500 1.00 0.00 H ATOM 687 HB2 GLN A 61 -25.023 -1.677 -0.341 1.00 0.00 H ATOM 688 HB3 GLN A 61 -26.154 -2.929 -0.905 1.00 0.00 H ATOM 689 HG2 GLN A 61 -26.613 -3.637 1.309 1.00 0.00 H ATOM 690 HG3 GLN A 61 -25.275 -2.668 1.968 1.00 0.00 H ATOM 691 HE22 GLN A 61 -25.398 -0.266 1.632 1.00 0.00 H ATOM 692 HE21 GLN A 61 -27.029 0.488 1.749 1.00 0.00 H ATOM 693 H GLN A 61 -22.487 -3.058 -1.493 1.00 0.00 H ATOM 694 N LEU A 62 -23.887 -6.020 -0.848 1.00 8.83 N ATOM 695 CA LEU A 62 -24.317 -7.397 -1.069 1.00 8.52 C ATOM 696 C LEU A 62 -24.220 -8.270 0.178 1.00 7.81 C ATOM 697 O LEU A 62 -24.717 -9.399 0.184 1.00 9.06 O ATOM 698 CB LEU A 62 -23.510 -8.037 -2.201 1.00 8.82 C ATOM 699 CG LEU A 62 -23.583 -7.339 -3.562 1.00 8.99 C ATOM 700 CD1 LEU A 62 -22.835 -8.175 -4.583 1.00 9.49 C ATOM 701 CD2 LEU A 62 -25.033 -7.151 -3.996 1.00 9.89 C ATOM 702 HA LEU A 62 -25.371 -7.341 -1.342 1.00 0.00 H ATOM 703 HB2 LEU A 62 -22.464 -8.058 -1.894 1.00 0.00 H ATOM 704 HB3 LEU A 62 -23.870 -9.058 -2.331 1.00 0.00 H ATOM 705 HG LEU A 62 -23.125 -6.353 -3.485 1.00 0.00 H ATOM 706 HD21 LEU A 62 -25.517 -8.125 -4.073 1.00 0.00 H ATOM 707 HD22 LEU A 62 -25.555 -6.541 -3.259 1.00 0.00 H ATOM 708 HD23 LEU A 62 -25.059 -6.653 -4.965 1.00 0.00 H ATOM 709 HD11 LEU A 62 -21.794 -8.276 -4.275 1.00 0.00 H ATOM 710 HD12 LEU A 62 -23.294 -9.162 -4.649 1.00 0.00 H ATOM 711 HD13 LEU A 62 -22.882 -7.686 -5.556 1.00 0.00 H ATOM 712 H LEU A 62 -22.900 -5.755 -1.039 1.00 0.00 H ATOM 713 N TYR A 63 -23.595 -7.767 1.240 1.00 9.30 N ATOM 714 CA TYR A 63 -23.509 -8.549 2.469 1.00 9.02 C ATOM 715 C TYR A 63 -24.870 -8.716 3.133 1.00 9.14 C ATOM 716 O TYR A 63 -25.679 -7.785 3.169 1.00 10.81 O ATOM 717 CB TYR A 63 -22.551 -7.894 3.463 1.00 10.09 C ATOM 718 CG TYR A 63 -21.099 -8.007 3.074 1.00 9.52 C ATOM 719 CD1 TYR A 63 -20.393 -6.894 2.634 1.00 10.14 C ATOM 720 CD2 TYR A 63 -20.435 -9.225 3.137 1.00 10.27 C ATOM 721 CE1 TYR A 63 -19.064 -6.992 2.267 1.00 11.42 C ATOM 722 CE2 TYR A 63 -19.107 -9.333 2.773 1.00 10.08 C ATOM 723 CZ TYR A 63 -18.428 -8.214 2.339 1.00 10.31 C ATOM 724 OH TYR A 63 -17.104 -8.333 1.977 1.00 12.56 O ATOM 725 HA TYR A 63 -23.134 -9.533 2.188 1.00 0.00 H ATOM 726 HB3 TYR A 63 -22.685 -8.370 4.434 1.00 0.00 H ATOM 727 HB2 TYR A 63 -22.805 -6.837 3.540 1.00 0.00 H ATOM 728 HD2 TYR A 63 -20.971 -10.110 3.479 1.00 0.00 H ATOM 729 HE2 TYR A 63 -18.599 -10.296 2.828 1.00 0.00 H ATOM 730 HE1 TYR A 63 -18.523 -6.111 1.923 1.00 0.00 H ATOM 731 HD1 TYR A 63 -20.895 -5.928 2.577 1.00 0.00 H ATOM 732 HH TYR A 63 -16.761 -7.450 1.691 1.00 0.00 H ATOM 733 H TYR A 63 -23.169 -6.819 1.194 1.00 0.00 H ATOM 734 N ASP A 64 -25.114 -9.905 3.669 1.00 9.60 N ATOM 735 CA ASP A 64 -26.305 -10.138 4.470 1.00 9.76 C ATOM 736 C ASP A 64 -26.237 -9.275 5.725 1.00 11.20 C ATOM 737 O ASP A 64 -25.170 -9.097 6.312 1.00 12.39 O ATOM 738 CB ASP A 64 -26.391 -11.608 4.862 1.00 9.86 C ATOM 739 CG ASP A 64 -27.703 -11.949 5.509 1.00 9.97 C ATOM 740 OD1 ASP A 64 -27.781 -11.919 6.755 1.00 11.14 O ATOM 741 OD2 ASP A 64 -28.661 -12.233 4.766 1.00 10.78 O ATOM 742 HA ASP A 64 -27.190 -9.877 3.890 1.00 0.00 H ATOM 743 HB2 ASP A 64 -26.273 -12.218 3.966 1.00 0.00 H ATOM 744 HB3 ASP A 64 -25.586 -11.832 5.562 1.00 0.00 H ATOM 745 H ASP A 64 -24.442 -10.683 3.514 1.00 0.00 H ATOM 746 N GLU A 65 -27.376 -8.739 6.142 1.00 12.69 N ATOM 747 CA GLU A 65 -27.385 -7.784 7.243 1.00 15.29 C ATOM 748 C GLU A 65 -27.112 -8.425 8.603 1.00 16.00 C ATOM 749 O GLU A 65 -26.521 -7.790 9.479 1.00 18.37 O ATOM 750 CB GLU A 65 -28.716 -7.028 7.269 1.00 19.20 C ATOM 751 CG GLU A 65 -28.903 -6.101 6.073 1.00 24.85 C ATOM 752 CD GLU A 65 -30.132 -5.219 6.189 1.00 28.70 C ATOM 753 OE1 GLU A 65 -30.961 -5.465 7.091 1.00 30.76 O ATOM 754 OE2 GLU A 65 -30.264 -4.276 5.379 1.00 30.78 O ATOM 755 HA GLU A 65 -26.565 -7.089 7.062 1.00 0.00 H ATOM 756 HB2 GLU A 65 -29.528 -7.755 7.274 1.00 0.00 H ATOM 757 HB3 GLU A 65 -28.758 -6.431 8.180 1.00 0.00 H ATOM 758 HG2 GLU A 65 -28.024 -5.462 5.988 1.00 0.00 H ATOM 759 HG3 GLU A 65 -28.996 -6.710 5.173 1.00 0.00 H ATOM 760 H GLU A 65 -28.270 -9.002 5.680 1.00 0.00 H ATOM 761 N LYS A 66 -27.522 -9.679 8.780 1.00 16.25 N ATOM 762 CA LYS A 66 -27.368 -10.352 10.070 1.00 17.72 C ATOM 763 C LYS A 66 -26.243 -11.385 10.075 1.00 18.03 C ATOM 764 O LYS A 66 -25.584 -11.590 11.095 1.00 20.82 O ATOM 765 CB LYS A 66 -28.682 -11.027 10.472 1.00 19.60 C ATOM 766 CG LYS A 66 -29.849 -10.066 10.654 1.00 23.34 C ATOM 767 CD LYS A 66 -29.622 -9.122 11.825 1.00 26.55 C ATOM 768 CE LYS A 66 -30.836 -8.235 12.058 1.00 28.65 C ATOM 769 NZ LYS A 66 -30.657 -7.339 13.235 1.00 31.03 N ATOM 770 HA LYS A 66 -27.102 -9.581 10.793 1.00 0.00 H ATOM 771 HB2 LYS A 66 -28.948 -11.745 9.697 1.00 0.00 H ATOM 772 HB3 LYS A 66 -28.522 -11.553 11.413 1.00 0.00 H ATOM 773 HG2 LYS A 66 -29.968 -9.478 9.744 1.00 0.00 H ATOM 774 HG3 LYS A 66 -30.757 -10.642 10.835 1.00 0.00 H ATOM 775 HD2 LYS A 66 -29.432 -9.709 12.724 1.00 0.00 H ATOM 776 HD3 LYS A 66 -28.757 -8.493 11.613 1.00 0.00 H ATOM 777 HE2 LYS A 66 -31.707 -8.868 12.227 1.00 0.00 H ATOM 778 HE3 LYS A 66 -31.000 -7.623 11.171 1.00 0.00 H ATOM 779 HZ1 LYS A 66 -30.507 -7.915 14.088 1.00 0.00 H ATOM 780 HZ2 LYS A 66 -29.832 -6.726 13.080 1.00 0.00 H ATOM 781 HZ3 LYS A 66 -31.508 -6.753 13.356 1.00 0.00 H ATOM 782 H LYS A 66 -27.960 -10.190 7.987 1.00 0.00 H ATOM 783 N GLN A 67 -26.033 -12.043 8.939 1.00 16.26 N ATOM 784 CA GLN A 67 -24.918 -12.973 8.785 1.00 16.82 C ATOM 785 C GLN A 67 -23.886 -12.353 7.849 1.00 15.76 C ATOM 786 O GLN A 67 -23.887 -12.609 6.644 1.00 14.28 O ATOM 787 CB GLN A 67 -25.412 -14.303 8.208 1.00 18.84 C ATOM 788 CG GLN A 67 -26.421 -15.029 9.090 1.00 23.92 C ATOM 789 CD GLN A 67 -25.829 -15.479 10.414 1.00 26.65 C ATOM 790 OE1 GLN A 67 -24.688 -15.936 10.474 1.00 28.28 O ATOM 791 NE2 GLN A 67 -26.607 -15.350 11.484 1.00 28.70 N ATOM 792 HA GLN A 67 -24.468 -13.166 9.759 1.00 0.00 H ATOM 793 HB2 GLN A 67 -25.880 -14.105 7.244 1.00 0.00 H ATOM 794 HB3 GLN A 67 -24.550 -14.955 8.065 1.00 0.00 H ATOM 795 HG2 GLN A 67 -27.255 -14.357 9.292 1.00 0.00 H ATOM 796 HG3 GLN A 67 -26.784 -15.906 8.555 1.00 0.00 H ATOM 797 HE22 GLN A 67 -27.565 -14.958 11.386 1.00 0.00 H ATOM 798 HE21 GLN A 67 -26.257 -15.641 12.419 1.00 0.00 H ATOM 799 H GLN A 67 -26.680 -11.891 8.139 1.00 0.00 H ATOM 800 N GLN A 68 -22.999 -11.537 8.405 1.00 15.90 N ATOM 801 CA GLN A 68 -22.168 -10.673 7.580 1.00 17.43 C ATOM 802 C GLN A 68 -21.060 -11.391 6.816 1.00 15.35 C ATOM 803 O GLN A 68 -20.352 -10.766 6.026 1.00 18.20 O ATOM 804 CB GLN A 68 -21.575 -9.543 8.425 1.00 20.83 C ATOM 805 CG GLN A 68 -22.608 -8.514 8.864 1.00 26.54 C ATOM 806 CD GLN A 68 -21.986 -7.199 9.293 1.00 29.25 C ATOM 807 OE1 GLN A 68 -22.533 -6.489 10.136 1.00 32.36 O ATOM 808 NE2 GLN A 68 -20.840 -6.866 8.710 1.00 31.36 N ATOM 809 HA GLN A 68 -22.837 -10.271 6.819 1.00 0.00 H ATOM 810 HB2 GLN A 68 -21.120 -9.978 9.315 1.00 0.00 H ATOM 811 HB3 GLN A 68 -20.809 -9.036 7.837 1.00 0.00 H ATOM 812 HG2 GLN A 68 -23.285 -8.324 8.031 1.00 0.00 H ATOM 813 HG3 GLN A 68 -23.172 -8.923 9.703 1.00 0.00 H ATOM 814 HE22 GLN A 68 -20.414 -7.498 8.002 1.00 0.00 H ATOM 815 HE21 GLN A 68 -20.369 -5.974 8.961 1.00 0.00 H ATOM 816 H GLN A 68 -22.897 -11.515 9.440 1.00 0.00 H ATOM 817 N HIS A 69 -20.916 -12.696 7.033 1.00 14.02 N ATOM 818 CA HIS A 69 -20.000 -13.493 6.221 1.00 13.13 C ATOM 819 C HIS A 69 -20.616 -13.885 4.884 1.00 12.85 C ATOM 820 O HIS A 69 -19.918 -14.364 3.988 1.00 13.01 O ATOM 821 CB HIS A 69 -19.549 -14.759 6.971 1.00 13.05 C ATOM 822 CG HIS A 69 -20.672 -15.631 7.445 1.00 13.55 C ATOM 823 ND1 HIS A 69 -20.880 -16.909 6.969 1.00 14.42 N ATOM 824 CD2 HIS A 69 -21.627 -15.420 8.381 1.00 12.17 C ATOM 825 CE1 HIS A 69 -21.913 -17.447 7.593 1.00 12.48 C ATOM 826 NE2 HIS A 69 -22.384 -16.564 8.454 1.00 14.73 N ATOM 827 HA HIS A 69 -19.131 -12.864 6.026 1.00 0.00 H ATOM 828 HB2 HIS A 69 -18.920 -15.346 6.302 1.00 0.00 H ATOM 829 HB3 HIS A 69 -18.966 -14.452 7.839 1.00 0.00 H ATOM 830 HD2 HIS A 69 -21.769 -14.512 8.967 1.00 0.00 H ATOM 831 HE1 HIS A 69 -22.309 -18.449 7.425 1.00 0.00 H ATOM 832 H HIS A 69 -21.462 -13.154 7.790 1.00 0.00 H ATOM 833 N ILE A 70 -21.922 -13.680 4.753 1.00 12.07 N ATOM 834 CA ILE A 70 -22.649 -14.106 3.566 1.00 11.00 C ATOM 835 C ILE A 70 -22.787 -12.979 2.547 1.00 9.25 C ATOM 836 O ILE A 70 -23.190 -11.862 2.882 1.00 10.57 O ATOM 837 CB ILE A 70 -24.061 -14.613 3.929 1.00 12.03 C ATOM 838 CG1 ILE A 70 -23.959 -15.802 4.888 1.00 13.89 C ATOM 839 CG2 ILE A 70 -24.816 -15.010 2.665 1.00 13.01 C ATOM 840 CD1 ILE A 70 -23.410 -17.055 4.247 1.00 13.77 C ATOM 841 HA ILE A 70 -22.067 -14.915 3.125 1.00 0.00 H ATOM 842 HB ILE A 70 -24.611 -13.812 4.424 1.00 0.00 H ATOM 843 HG12 ILE A 70 -23.305 -15.523 5.714 1.00 0.00 H ATOM 844 HG13 ILE A 70 -24.955 -16.020 5.273 1.00 0.00 H ATOM 845 HD11 ILE A 70 -24.060 -17.356 3.425 1.00 0.00 H ATOM 846 HD12 ILE A 70 -22.408 -16.858 3.866 1.00 0.00 H ATOM 847 HD13 ILE A 70 -23.368 -17.853 4.989 1.00 0.00 H ATOM 848 HG21 ILE A 70 -24.904 -14.144 2.009 1.00 0.00 H ATOM 849 HG22 ILE A 70 -24.271 -15.803 2.152 1.00 0.00 H ATOM 850 HG23 ILE A 70 -25.811 -15.366 2.934 1.00 0.00 H ATOM 851 H ILE A 70 -22.439 -13.202 5.519 1.00 0.00 H ATOM 852 N VAL A 71 -22.452 -13.293 1.301 1.00 8.19 N ATOM 853 CA VAL A 71 -22.610 -12.368 0.185 1.00 7.69 C ATOM 854 C VAL A 71 -23.764 -12.830 -0.696 1.00 7.77 C ATOM 855 O VAL A 71 -23.743 -13.947 -1.216 1.00 7.94 O ATOM 856 CB VAL A 71 -21.332 -12.325 -0.674 1.00 7.48 C ATOM 857 CG1 VAL A 71 -21.513 -11.364 -1.836 1.00 8.41 C ATOM 858 CG2 VAL A 71 -20.149 -11.920 0.181 1.00 9.22 C ATOM 859 HA VAL A 71 -22.807 -11.375 0.589 1.00 0.00 H ATOM 860 HB VAL A 71 -21.141 -13.318 -1.080 1.00 0.00 H ATOM 861 HG11 VAL A 71 -22.348 -11.696 -2.454 1.00 0.00 H ATOM 862 HG12 VAL A 71 -21.719 -10.365 -1.451 1.00 0.00 H ATOM 863 HG13 VAL A 71 -20.602 -11.344 -2.434 1.00 0.00 H ATOM 864 HG21 VAL A 71 -20.331 -10.933 0.606 1.00 0.00 H ATOM 865 HG22 VAL A 71 -20.018 -12.645 0.985 1.00 0.00 H ATOM 866 HG23 VAL A 71 -19.250 -11.892 -0.435 1.00 0.00 H ATOM 867 H VAL A 71 -22.061 -14.238 1.113 1.00 0.00 H ATOM 868 N HIS A 72 -24.760 -11.966 -0.864 1.00 7.34 N ATOM 869 CA HIS A 72 -25.913 -12.266 -1.707 1.00 7.99 C ATOM 870 C HIS A 72 -25.658 -11.868 -3.157 1.00 8.27 C ATOM 871 O HIS A 72 -25.377 -10.703 -3.446 1.00 9.63 O ATOM 872 CB HIS A 72 -27.144 -11.523 -1.195 1.00 9.45 C ATOM 873 CG HIS A 72 -27.697 -12.078 0.077 1.00 8.88 C ATOM 874 ND1 HIS A 72 -28.469 -13.219 0.115 1.00 9.73 N ATOM 875 CD2 HIS A 72 -27.594 -11.648 1.356 1.00 9.51 C ATOM 876 CE1 HIS A 72 -28.819 -13.467 1.364 1.00 11.27 C ATOM 877 NE2 HIS A 72 -28.301 -12.530 2.137 1.00 9.55 N ATOM 878 HA HIS A 72 -26.083 -13.342 -1.664 1.00 0.00 H ATOM 879 HB2 HIS A 72 -26.871 -10.481 -1.026 1.00 0.00 H ATOM 880 HB3 HIS A 72 -27.920 -11.575 -1.959 1.00 0.00 H ATOM 881 HD2 HIS A 72 -27.052 -10.768 1.702 1.00 0.00 H ATOM 882 HE1 HIS A 72 -29.432 -14.304 1.700 1.00 0.00 H ATOM 883 H HIS A 72 -24.716 -11.047 -0.379 1.00 0.00 H ATOM 884 N CYS A 73 -25.775 -12.837 -4.062 1.00 7.82 N ATOM 885 CA CYS A 73 -25.507 -12.613 -5.483 1.00 9.49 C ATOM 886 C CYS A 73 -26.735 -12.803 -6.373 1.00 9.85 C ATOM 887 O CYS A 73 -26.665 -12.593 -7.585 1.00 10.35 O ATOM 888 CB CYS A 73 -24.403 -13.555 -5.960 1.00 9.11 C ATOM 889 SG CYS A 73 -22.837 -13.358 -5.092 1.00 11.30 S ATOM 890 HA CYS A 73 -25.199 -11.571 -5.572 1.00 0.00 H ATOM 891 HB2 CYS A 73 -24.232 -13.372 -7.021 1.00 0.00 H ATOM 892 HB3 CYS A 73 -24.745 -14.581 -5.821 1.00 0.00 H ATOM 893 HG CYS A 73 -21.916 -14.252 -5.599 1.00 0.00 H ATOM 894 H CYS A 73 -26.067 -13.785 -3.749 1.00 0.00 H ATOM 895 N SER A 74 -27.857 -13.189 -5.774 1.00 10.13 N ATOM 896 CA SER A 74 -29.043 -13.583 -6.534 1.00 9.60 C ATOM 897 C SER A 74 -29.750 -12.425 -7.236 1.00 9.62 C ATOM 898 O SER A 74 -30.601 -12.648 -8.097 1.00 9.96 O ATOM 899 CB SER A 74 -30.037 -14.300 -5.614 1.00 10.77 C ATOM 900 OG SER A 74 -30.440 -13.463 -4.544 1.00 8.44 O ATOM 901 HA SER A 74 -28.685 -14.249 -7.320 1.00 0.00 H ATOM 902 HB2 SER A 74 -29.565 -15.194 -5.208 1.00 0.00 H ATOM 903 HB3 SER A 74 -30.915 -14.586 -6.193 1.00 0.00 H ATOM 904 HG SER A 74 -29.646 -13.204 -4.012 1.00 0.00 H ATOM 905 H SER A 74 -27.893 -13.212 -4.735 1.00 0.00 H ATOM 906 N ASN A 75 -29.408 -11.196 -6.862 1.00 10.26 N ATOM 907 CA ASN A 75 -29.982 -10.014 -7.499 1.00 11.21 C ATOM 908 C ASN A 75 -28.929 -9.226 -8.273 1.00 11.87 C ATOM 909 O ASN A 75 -29.219 -8.156 -8.802 1.00 13.50 O ATOM 910 CB ASN A 75 -30.617 -9.095 -6.448 1.00 14.48 C ATOM 911 CG ASN A 75 -31.691 -9.786 -5.629 1.00 19.65 C ATOM 912 OD1 ASN A 75 -32.326 -10.735 -6.086 1.00 19.94 O ATOM 913 ND2 ASN A 75 -31.900 -9.307 -4.407 1.00 23.67 N ATOM 914 HA ASN A 75 -30.743 -10.362 -8.198 1.00 0.00 H ATOM 915 HB2 ASN A 75 -29.835 -8.746 -5.773 1.00 0.00 H ATOM 916 HB3 ASN A 75 -31.063 -8.241 -6.957 1.00 0.00 H ATOM 917 HD22 ASN A 75 -31.339 -8.502 -4.061 1.00 0.00 H ATOM 918 HD21 ASN A 75 -32.624 -9.737 -3.797 1.00 0.00 H ATOM 919 H ASN A 75 -28.714 -11.073 -6.097 1.00 0.00 H ATOM 920 N ASP A 76 -27.713 -9.756 -8.344 1.00 9.54 N ATOM 921 CA ASP A 76 -26.586 -8.990 -8.868 1.00 9.90 C ATOM 922 C ASP A 76 -25.863 -9.757 -9.963 1.00 9.42 C ATOM 923 O ASP A 76 -25.798 -10.986 -9.939 1.00 9.47 O ATOM 924 CB ASP A 76 -25.600 -8.665 -7.741 1.00 9.89 C ATOM 925 CG ASP A 76 -24.595 -7.593 -8.132 1.00 9.66 C ATOM 926 OD1 ASP A 76 -24.889 -6.401 -7.899 1.00 11.06 O ATOM 927 OD2 ASP A 76 -23.522 -7.939 -8.674 1.00 8.66 O ATOM 928 HA ASP A 76 -26.979 -8.065 -9.291 1.00 0.00 H ATOM 929 HB2 ASP A 76 -26.162 -8.317 -6.875 1.00 0.00 H ATOM 930 HB3 ASP A 76 -25.057 -9.573 -7.479 1.00 0.00 H ATOM 931 H ASP A 76 -27.561 -10.733 -8.021 1.00 0.00 H ATOM 932 N PRO A 77 -25.294 -9.037 -10.940 1.00 9.16 N ATOM 933 CA PRO A 77 -24.531 -9.727 -11.985 1.00 9.97 C ATOM 934 C PRO A 77 -23.382 -10.591 -11.463 1.00 8.64 C ATOM 935 O PRO A 77 -22.918 -11.493 -12.158 1.00 9.78 O ATOM 936 CB PRO A 77 -24.034 -8.589 -12.875 1.00 10.48 C ATOM 937 CG PRO A 77 -25.056 -7.517 -12.694 1.00 12.86 C ATOM 938 CD PRO A 77 -25.452 -7.603 -11.239 1.00 11.27 C ATOM 939 HA PRO A 77 -25.151 -10.453 -12.511 1.00 0.00 H ATOM 940 HD3 PRO A 77 -24.794 -6.997 -10.616 1.00 0.00 H ATOM 941 HD2 PRO A 77 -26.484 -7.283 -11.093 1.00 0.00 H ATOM 942 HG3 PRO A 77 -25.917 -7.695 -13.338 1.00 0.00 H ATOM 943 HG2 PRO A 77 -24.631 -6.539 -12.919 1.00 0.00 H ATOM 944 HB2 PRO A 77 -23.051 -8.246 -12.553 1.00 0.00 H ATOM 945 HB3 PRO A 77 -23.984 -8.905 -13.917 1.00 0.00 H ATOM 946 N LEU A 78 -22.915 -10.320 -10.247 1.00 9.39 N ATOM 947 CA LEU A 78 -21.865 -11.143 -9.653 1.00 8.28 C ATOM 948 C LEU A 78 -22.292 -12.609 -9.588 1.00 8.70 C ATOM 949 O LEU A 78 -21.457 -13.508 -9.672 1.00 9.01 O ATOM 950 CB LEU A 78 -21.521 -10.634 -8.249 1.00 9.91 C ATOM 951 CG LEU A 78 -20.419 -11.379 -7.483 1.00 9.61 C ATOM 952 CD1 LEU A 78 -19.127 -11.392 -8.299 1.00 12.19 C ATOM 953 CD2 LEU A 78 -20.191 -10.701 -6.130 1.00 10.49 C ATOM 954 HA LEU A 78 -20.980 -11.070 -10.284 1.00 0.00 H ATOM 955 HB2 LEU A 78 -21.209 -9.594 -8.344 1.00 0.00 H ATOM 956 HB3 LEU A 78 -22.430 -10.686 -7.649 1.00 0.00 H ATOM 957 HG LEU A 78 -20.729 -12.411 -7.316 1.00 0.00 H ATOM 958 HD21 LEU A 78 -19.887 -9.666 -6.290 1.00 0.00 H ATOM 959 HD22 LEU A 78 -21.115 -10.725 -5.553 1.00 0.00 H ATOM 960 HD23 LEU A 78 -19.408 -11.231 -5.587 1.00 0.00 H ATOM 961 HD11 LEU A 78 -19.304 -11.895 -9.250 1.00 0.00 H ATOM 962 HD12 LEU A 78 -18.805 -10.367 -8.483 1.00 0.00 H ATOM 963 HD13 LEU A 78 -18.354 -11.923 -7.744 1.00 0.00 H ATOM 964 H LEU A 78 -23.301 -9.515 -9.715 1.00 0.00 H ATOM 965 N GLY A 79 -23.593 -12.843 -9.448 1.00 8.79 N ATOM 966 CA GLY A 79 -24.098 -14.203 -9.419 1.00 9.65 C ATOM 967 C GLY A 79 -23.766 -14.993 -10.671 1.00 10.36 C ATOM 968 O GLY A 79 -23.325 -16.137 -10.590 1.00 11.55 O ATOM 969 HA3 GLY A 79 -25.182 -14.168 -9.309 1.00 0.00 H ATOM 970 HA2 GLY A 79 -23.664 -14.716 -8.561 1.00 0.00 H ATOM 971 H GLY A 79 -24.254 -12.045 -9.359 1.00 0.00 H ATOM 972 N GLU A 80 -23.974 -14.387 -11.835 1.00 10.40 N ATOM 973 CA GLU A 80 -23.626 -15.034 -13.093 1.00 11.63 C ATOM 974 C GLU A 80 -22.118 -15.164 -13.248 1.00 12.66 C ATOM 975 O GLU A 80 -21.622 -16.175 -13.744 1.00 13.23 O ATOM 976 CB GLU A 80 -24.187 -14.241 -14.276 1.00 14.37 C ATOM 977 CG GLU A 80 -25.681 -14.384 -14.475 1.00 14.77 C ATOM 978 CD GLU A 80 -26.478 -13.325 -13.739 1.00 16.63 C ATOM 979 OE1 GLU A 80 -26.001 -12.816 -12.703 1.00 17.67 O ATOM 980 OE2 GLU A 80 -27.587 -12.994 -14.203 1.00 16.06 O ATOM 981 HA GLU A 80 -24.065 -16.032 -13.080 1.00 0.00 H ATOM 982 HB2 GLU A 80 -23.964 -13.186 -14.116 1.00 0.00 H ATOM 983 HB3 GLU A 80 -23.688 -14.583 -15.183 1.00 0.00 H ATOM 984 HG2 GLU A 80 -25.899 -14.306 -15.540 1.00 0.00 H ATOM 985 HG3 GLU A 80 -25.988 -15.365 -14.113 1.00 0.00 H ATOM 986 H GLU A 80 -24.392 -13.435 -11.848 1.00 0.00 H ATOM 987 N LEU A 81 -21.387 -14.140 -12.821 1.00 11.32 N ATOM 988 CA LEU A 81 -19.935 -14.153 -12.943 1.00 12.07 C ATOM 989 C LEU A 81 -19.320 -15.307 -12.150 1.00 12.21 C ATOM 990 O LEU A 81 -18.439 -16.010 -12.648 1.00 13.58 O ATOM 991 CB LEU A 81 -19.355 -12.823 -12.457 1.00 12.58 C ATOM 992 CG LEU A 81 -17.827 -12.716 -12.414 1.00 12.92 C ATOM 993 CD1 LEU A 81 -17.251 -12.917 -13.811 1.00 14.77 C ATOM 994 CD2 LEU A 81 -17.426 -11.356 -11.862 1.00 15.17 C ATOM 995 HA LEU A 81 -19.689 -14.294 -13.995 1.00 0.00 H ATOM 996 HB2 LEU A 81 -19.723 -12.040 -13.119 1.00 0.00 H ATOM 997 HB3 LEU A 81 -19.728 -12.648 -11.448 1.00 0.00 H ATOM 998 HG LEU A 81 -17.428 -13.492 -11.761 1.00 0.00 H ATOM 999 HD21 LEU A 81 -17.827 -10.572 -12.505 1.00 0.00 H ATOM 1000 HD22 LEU A 81 -17.826 -11.242 -10.855 1.00 0.00 H ATOM 1001 HD23 LEU A 81 -16.339 -11.283 -11.833 1.00 0.00 H ATOM 1002 HD11 LEU A 81 -17.532 -13.903 -14.180 1.00 0.00 H ATOM 1003 HD12 LEU A 81 -17.646 -12.152 -14.479 1.00 0.00 H ATOM 1004 HD13 LEU A 81 -16.165 -12.839 -13.769 1.00 0.00 H ATOM 1005 H LEU A 81 -21.858 -13.317 -12.393 1.00 0.00 H ATOM 1006 N PHE A 82 -19.790 -15.505 -10.921 1.00 13.61 N ATOM 1007 CA PHE A 82 -19.255 -16.553 -10.055 1.00 12.26 C ATOM 1008 C PHE A 82 -19.988 -17.883 -10.215 1.00 13.57 C ATOM 1009 O PHE A 82 -19.456 -18.932 -9.859 1.00 15.22 O ATOM 1010 CB PHE A 82 -19.332 -16.121 -8.587 1.00 12.94 C ATOM 1011 CG PHE A 82 -18.157 -15.306 -8.119 1.00 13.51 C ATOM 1012 CD1 PHE A 82 -17.172 -14.892 -9.002 1.00 15.47 C ATOM 1013 CD2 PHE A 82 -18.034 -14.969 -6.781 1.00 14.05 C ATOM 1014 CE1 PHE A 82 -16.084 -14.157 -8.554 1.00 15.27 C ATOM 1015 CE2 PHE A 82 -16.954 -14.238 -6.329 1.00 15.89 C ATOM 1016 CZ PHE A 82 -15.978 -13.831 -7.218 1.00 16.45 C ATOM 1017 HA PHE A 82 -18.218 -16.701 -10.356 1.00 0.00 H ATOM 1018 HB2 PHE A 82 -20.236 -15.526 -8.453 1.00 0.00 H ATOM 1019 HB3 PHE A 82 -19.394 -17.017 -7.970 1.00 0.00 H ATOM 1020 HD2 PHE A 82 -18.801 -15.286 -6.075 1.00 0.00 H ATOM 1021 HE2 PHE A 82 -16.871 -13.982 -5.273 1.00 0.00 H ATOM 1022 HZ PHE A 82 -15.125 -13.253 -6.864 1.00 0.00 H ATOM 1023 HE1 PHE A 82 -15.314 -13.838 -9.257 1.00 0.00 H ATOM 1024 HD1 PHE A 82 -17.253 -15.146 -10.059 1.00 0.00 H ATOM 1025 H PHE A 82 -20.558 -14.898 -10.568 1.00 0.00 H ATOM 1026 N GLY A 83 -21.212 -17.835 -10.729 1.00 12.88 N ATOM 1027 CA GLY A 83 -21.998 -19.047 -10.884 1.00 13.98 C ATOM 1028 C GLY A 83 -22.648 -19.535 -9.599 1.00 14.00 C ATOM 1029 O GLY A 83 -22.859 -20.736 -9.426 1.00 15.68 O ATOM 1030 HA3 GLY A 83 -21.343 -19.834 -11.257 1.00 0.00 H ATOM 1031 HA2 GLY A 83 -22.784 -18.854 -11.614 1.00 0.00 H ATOM 1032 H GLY A 83 -21.611 -16.921 -11.023 1.00 0.00 H ATOM 1033 N VAL A 84 -22.965 -18.612 -8.694 1.00 12.47 N ATOM 1034 CA VAL A 84 -23.616 -18.970 -7.433 1.00 13.76 C ATOM 1035 C VAL A 84 -24.670 -17.941 -7.033 1.00 13.06 C ATOM 1036 O VAL A 84 -24.699 -16.825 -7.555 1.00 12.20 O ATOM 1037 CB VAL A 84 -22.600 -19.082 -6.271 1.00 16.04 C ATOM 1038 CG1 VAL A 84 -21.571 -20.157 -6.571 1.00 17.84 C ATOM 1039 CG2 VAL A 84 -21.923 -17.740 -6.044 1.00 15.35 C ATOM 1040 HA VAL A 84 -24.086 -19.938 -7.606 1.00 0.00 H ATOM 1041 HB VAL A 84 -23.131 -19.363 -5.362 1.00 0.00 H ATOM 1042 HG11 VAL A 84 -22.075 -21.115 -6.697 1.00 0.00 H ATOM 1043 HG12 VAL A 84 -21.038 -19.902 -7.487 1.00 0.00 H ATOM 1044 HG13 VAL A 84 -20.864 -20.223 -5.744 1.00 0.00 H ATOM 1045 HG21 VAL A 84 -21.400 -17.440 -6.952 1.00 0.00 H ATOM 1046 HG22 VAL A 84 -22.676 -16.993 -5.793 1.00 0.00 H ATOM 1047 HG23 VAL A 84 -21.210 -17.828 -5.225 1.00 0.00 H ATOM 1048 H VAL A 84 -22.745 -17.614 -8.887 1.00 0.00 H ATOM 1049 N GLN A 85 -25.537 -18.326 -6.102 1.00 12.52 N ATOM 1050 CA GLN A 85 -26.561 -17.424 -5.592 1.00 12.16 C ATOM 1051 C GLN A 85 -26.123 -16.739 -4.298 1.00 10.64 C ATOM 1052 O GLN A 85 -26.386 -15.552 -4.110 1.00 12.04 O ATOM 1053 CB GLN A 85 -27.866 -18.190 -5.365 1.00 14.44 C ATOM 1054 CG GLN A 85 -28.444 -18.788 -6.642 1.00 20.23 C ATOM 1055 CD GLN A 85 -29.713 -19.581 -6.403 1.00 24.19 C ATOM 1056 OE1 GLN A 85 -30.711 -19.399 -7.101 1.00 28.06 O ATOM 1057 NE2 GLN A 85 -29.681 -20.471 -5.416 1.00 25.85 N ATOM 1058 HA GLN A 85 -26.719 -16.646 -6.339 1.00 0.00 H ATOM 1059 HB2 GLN A 85 -27.675 -18.999 -4.660 1.00 0.00 H ATOM 1060 HB3 GLN A 85 -28.600 -17.505 -4.940 1.00 0.00 H ATOM 1061 HG2 GLN A 85 -28.666 -17.977 -7.336 1.00 0.00 H ATOM 1062 HG3 GLN A 85 -27.699 -19.449 -7.084 1.00 0.00 H ATOM 1063 HE22 GLN A 85 -28.816 -20.591 -4.852 1.00 0.00 H ATOM 1064 HE21 GLN A 85 -30.521 -21.047 -5.208 1.00 0.00 H ATOM 1065 H GLN A 85 -25.483 -19.295 -5.728 1.00 0.00 H ATOM 1066 N GLU A 86 -25.476 -17.494 -3.410 1.00 10.66 N ATOM 1067 CA GLU A 86 -24.794 -16.929 -2.244 1.00 10.58 C ATOM 1068 C GLU A 86 -23.444 -17.600 -2.098 1.00 10.94 C ATOM 1069 O GLU A 86 -23.258 -18.734 -2.536 1.00 13.02 O ATOM 1070 CB GLU A 86 -25.571 -17.177 -0.947 1.00 12.36 C ATOM 1071 CG GLU A 86 -26.944 -16.571 -0.891 1.00 14.60 C ATOM 1072 CD GLU A 86 -27.951 -17.395 -1.655 1.00 13.49 C ATOM 1073 OE1 GLU A 86 -28.058 -18.610 -1.381 1.00 18.16 O ATOM 1074 OE2 GLU A 86 -28.626 -16.830 -2.527 1.00 14.60 O ATOM 1075 HA GLU A 86 -24.705 -15.854 -2.403 1.00 0.00 H ATOM 1076 HB2 GLU A 86 -25.673 -18.254 -0.817 1.00 0.00 H ATOM 1077 HB3 GLU A 86 -24.988 -16.767 -0.122 1.00 0.00 H ATOM 1078 HG2 GLU A 86 -27.259 -16.505 0.150 1.00 0.00 H ATOM 1079 HG3 GLU A 86 -26.906 -15.571 -1.322 1.00 0.00 H ATOM 1080 H GLU A 86 -25.455 -18.524 -3.551 1.00 0.00 H ATOM 1081 N PHE A 87 -22.507 -16.904 -1.469 1.00 10.14 N ATOM 1082 CA PHE A 87 -21.307 -17.552 -0.972 1.00 10.27 C ATOM 1083 C PHE A 87 -20.860 -16.915 0.331 1.00 10.06 C ATOM 1084 O PHE A 87 -21.300 -15.817 0.693 1.00 10.67 O ATOM 1085 CB PHE A 87 -20.178 -17.503 -2.014 1.00 11.39 C ATOM 1086 CG PHE A 87 -19.633 -16.124 -2.281 1.00 9.86 C ATOM 1087 CD1 PHE A 87 -18.515 -15.658 -1.602 1.00 10.21 C ATOM 1088 CD2 PHE A 87 -20.199 -15.324 -3.257 1.00 9.32 C ATOM 1089 CE1 PHE A 87 -17.972 -14.418 -1.896 1.00 10.02 C ATOM 1090 CE2 PHE A 87 -19.660 -14.087 -3.555 1.00 10.23 C ATOM 1091 CZ PHE A 87 -18.544 -13.635 -2.874 1.00 10.34 C ATOM 1092 HA PHE A 87 -21.543 -18.599 -0.783 1.00 0.00 H ATOM 1093 HB2 PHE A 87 -19.360 -18.130 -1.660 1.00 0.00 H ATOM 1094 HB3 PHE A 87 -20.562 -17.905 -2.952 1.00 0.00 H ATOM 1095 HD2 PHE A 87 -21.079 -15.673 -3.797 1.00 0.00 H ATOM 1096 HE2 PHE A 87 -20.115 -13.467 -4.327 1.00 0.00 H ATOM 1097 HZ PHE A 87 -18.118 -12.660 -3.111 1.00 0.00 H ATOM 1098 HE1 PHE A 87 -17.095 -14.063 -1.355 1.00 0.00 H ATOM 1099 HD1 PHE A 87 -18.059 -16.276 -0.828 1.00 0.00 H ATOM 1100 H PHE A 87 -22.633 -15.881 -1.330 1.00 0.00 H ATOM 1101 N SER A 88 -19.997 -17.626 1.044 1.00 12.39 N ATOM 1102 CA SER A 88 -19.454 -17.140 2.298 1.00 12.60 C ATOM 1103 C SER A 88 -18.032 -16.628 2.096 1.00 11.27 C ATOM 1104 O SER A 88 -17.229 -17.277 1.433 1.00 11.56 O ATOM 1105 CB SER A 88 -19.451 -18.267 3.329 1.00 14.09 C ATOM 1106 OG SER A 88 -18.718 -17.891 4.477 1.00 14.25 O ATOM 1107 HA SER A 88 -20.077 -16.320 2.656 1.00 0.00 H ATOM 1108 HB2 SER A 88 -18.996 -19.154 2.888 1.00 0.00 H ATOM 1109 HB3 SER A 88 -20.478 -18.491 3.617 1.00 0.00 H ATOM 1110 HG SER A 88 -18.728 -18.634 5.132 1.00 0.00 H ATOM 1111 H SER A 88 -19.701 -18.559 0.694 1.00 0.00 H ATOM 1112 N VAL A 89 -17.718 -15.476 2.678 1.00 11.23 N ATOM 1113 CA VAL A 89 -16.365 -14.934 2.589 1.00 12.58 C ATOM 1114 C VAL A 89 -15.368 -15.800 3.345 1.00 12.53 C ATOM 1115 O VAL A 89 -14.156 -15.602 3.234 1.00 13.31 O ATOM 1116 CB VAL A 89 -16.278 -13.506 3.159 1.00 14.04 C ATOM 1117 CG1 VAL A 89 -17.214 -12.587 2.396 1.00 14.59 C ATOM 1118 CG2 VAL A 89 -16.614 -13.514 4.638 1.00 16.93 C ATOM 1119 HA VAL A 89 -16.119 -14.919 1.527 1.00 0.00 H ATOM 1120 HB VAL A 89 -15.260 -13.134 3.043 1.00 0.00 H ATOM 1121 HG11 VAL A 89 -16.929 -12.573 1.344 1.00 0.00 H ATOM 1122 HG12 VAL A 89 -18.237 -12.951 2.492 1.00 0.00 H ATOM 1123 HG13 VAL A 89 -17.146 -11.579 2.806 1.00 0.00 H ATOM 1124 HG21 VAL A 89 -17.626 -13.894 4.777 1.00 0.00 H ATOM 1125 HG22 VAL A 89 -15.908 -14.154 5.166 1.00 0.00 H ATOM 1126 HG23 VAL A 89 -16.549 -12.499 5.030 1.00 0.00 H ATOM 1127 H VAL A 89 -18.446 -14.953 3.205 1.00 0.00 H ATOM 1128 N LYS A 90 -15.875 -16.757 4.116 1.00 13.24 N ATOM 1129 CA LYS A 90 -15.009 -17.634 4.896 1.00 14.87 C ATOM 1130 C LYS A 90 -14.605 -18.888 4.127 1.00 15.48 C ATOM 1131 O LYS A 90 -13.749 -19.648 4.581 1.00 18.73 O ATOM 1132 CB LYS A 90 -15.693 -18.022 6.211 1.00 14.92 C ATOM 1133 CG LYS A 90 -15.840 -16.858 7.178 1.00 17.68 C ATOM 1134 CD LYS A 90 -16.501 -17.282 8.475 1.00 19.31 C ATOM 1135 CE LYS A 90 -16.577 -16.120 9.451 1.00 21.03 C ATOM 1136 NZ LYS A 90 -15.225 -15.572 9.761 1.00 20.57 N ATOM 1137 HA LYS A 90 -14.097 -17.076 5.108 1.00 0.00 H ATOM 1138 HB2 LYS A 90 -16.686 -18.411 5.984 1.00 0.00 H ATOM 1139 HB3 LYS A 90 -15.101 -18.800 6.693 1.00 0.00 H ATOM 1140 HG2 LYS A 90 -14.851 -16.457 7.400 1.00 0.00 H ATOM 1141 HG3 LYS A 90 -16.447 -16.084 6.709 1.00 0.00 H ATOM 1142 HD2 LYS A 90 -17.510 -17.636 8.262 1.00 0.00 H ATOM 1143 HD3 LYS A 90 -15.921 -18.088 8.924 1.00 0.00 H ATOM 1144 HE2 LYS A 90 -17.040 -16.465 10.376 1.00 0.00 H ATOM 1145 HE3 LYS A 90 -17.187 -15.330 9.013 1.00 0.00 H ATOM 1146 HZ1 LYS A 90 -14.638 -16.319 10.185 1.00 0.00 H ATOM 1147 HZ2 LYS A 90 -14.779 -15.235 8.884 1.00 0.00 H ATOM 1148 HZ3 LYS A 90 -15.318 -14.781 10.430 1.00 0.00 H ATOM 1149 H LYS A 90 -16.906 -16.882 4.164 1.00 0.00 H ATOM 1150 N GLU A 91 -15.212 -19.110 2.966 1.00 13.91 N ATOM 1151 CA GLU A 91 -14.855 -20.263 2.150 1.00 13.79 C ATOM 1152 C GLU A 91 -13.876 -19.838 1.057 1.00 12.35 C ATOM 1153 O GLU A 91 -14.249 -19.599 -0.091 1.00 11.67 O ATOM 1154 CB GLU A 91 -16.123 -20.903 1.566 1.00 16.97 C ATOM 1155 CG GLU A 91 -17.091 -21.380 2.657 1.00 19.79 C ATOM 1156 CD GLU A 91 -18.200 -22.293 2.149 1.00 18.78 C ATOM 1157 OE1 GLU A 91 -18.710 -22.062 1.033 1.00 18.16 O ATOM 1158 OE2 GLU A 91 -18.564 -23.242 2.878 1.00 20.00 O ATOM 1159 HA GLU A 91 -14.361 -21.014 2.766 1.00 0.00 H ATOM 1160 HB2 GLU A 91 -16.632 -20.168 0.943 1.00 0.00 H ATOM 1161 HB3 GLU A 91 -15.835 -21.758 0.955 1.00 0.00 H ATOM 1162 HG2 GLU A 91 -16.519 -21.922 3.410 1.00 0.00 H ATOM 1163 HG3 GLU A 91 -17.551 -20.504 3.114 1.00 0.00 H ATOM 1164 H GLU A 91 -15.949 -18.454 2.637 1.00 0.00 H ATOM 1165 N HIS A 92 -12.607 -19.742 1.439 1.00 11.59 N ATOM 1166 CA HIS A 92 -11.593 -19.134 0.587 1.00 9.76 C ATOM 1167 C HIS A 92 -11.215 -19.968 -0.630 1.00 9.36 C ATOM 1168 O HIS A 92 -10.983 -19.425 -1.709 1.00 10.10 O ATOM 1169 CB HIS A 92 -10.346 -18.824 1.415 1.00 11.91 C ATOM 1170 CG HIS A 92 -10.550 -17.722 2.407 1.00 11.68 C ATOM 1171 ND1 HIS A 92 -9.514 -16.966 2.910 1.00 12.05 N ATOM 1172 CD2 HIS A 92 -11.679 -17.228 2.967 1.00 13.13 C ATOM 1173 CE1 HIS A 92 -9.994 -16.053 3.735 1.00 14.19 C ATOM 1174 NE2 HIS A 92 -11.307 -16.190 3.786 1.00 14.31 N ATOM 1175 HA HIS A 92 -12.035 -18.219 0.194 1.00 0.00 H ATOM 1176 HB2 HIS A 92 -10.056 -19.726 1.955 1.00 0.00 H ATOM 1177 HB3 HIS A 92 -9.544 -18.534 0.737 1.00 0.00 H ATOM 1178 HD2 HIS A 92 -12.694 -17.587 2.799 1.00 0.00 H ATOM 1179 HE1 HIS A 92 -9.407 -15.313 4.280 1.00 0.00 H ATOM 1180 H HIS A 92 -12.330 -20.111 2.371 1.00 0.00 H ATOM 1181 N ARG A 93 -11.151 -21.284 -0.475 1.00 10.03 N ATOM 1182 CA ARG A 93 -10.836 -22.122 -1.622 1.00 11.10 C ATOM 1183 C ARG A 93 -11.928 -21.968 -2.681 1.00 10.41 C ATOM 1184 O ARG A 93 -11.644 -21.896 -3.874 1.00 11.14 O ATOM 1185 CB ARG A 93 -10.708 -23.589 -1.199 1.00 13.58 C ATOM 1186 CG ARG A 93 -9.677 -23.831 -0.098 1.00 19.84 C ATOM 1187 CD ARG A 93 -9.310 -25.306 0.015 1.00 22.36 C ATOM 1188 NE ARG A 93 -8.511 -25.730 -1.129 1.00 24.10 N ATOM 1189 CZ ARG A 93 -7.288 -26.243 -1.048 1.00 22.18 C ATOM 1190 NH1 ARG A 93 -6.701 -26.414 0.131 1.00 22.75 N ATOM 1191 NH2 ARG A 93 -6.642 -26.568 -2.157 1.00 20.72 N ATOM 1192 HA ARG A 93 -9.881 -21.805 -2.041 1.00 0.00 H ATOM 1193 HB2 ARG A 93 -11.680 -23.928 -0.840 1.00 0.00 H ATOM 1194 HB3 ARG A 93 -10.421 -24.174 -2.073 1.00 0.00 H ATOM 1195 HG2 ARG A 93 -8.777 -23.259 -0.324 1.00 0.00 H ATOM 1196 HG3 ARG A 93 -10.090 -23.495 0.853 1.00 0.00 H ATOM 1197 HD2 ARG A 93 -10.223 -25.900 0.053 1.00 0.00 H ATOM 1198 HD3 ARG A 93 -8.737 -25.463 0.929 1.00 0.00 H ATOM 1199 HE ARG A 93 -8.928 -25.623 -2.076 1.00 0.00 H ATOM 1200 HH12 ARG A 93 -5.743 -26.817 0.182 1.00 0.00 H ATOM 1201 HH11 ARG A 93 -7.199 -26.145 1.004 1.00 0.00 H ATOM 1202 HH22 ARG A 93 -5.684 -26.970 -2.102 1.00 0.00 H ATOM 1203 HH21 ARG A 93 -7.092 -26.421 -3.083 1.00 0.00 H ATOM 1204 H ARG A 93 -11.324 -21.712 0.457 1.00 0.00 H ATOM 1205 N ARG A 94 -13.179 -21.906 -2.240 1.00 11.21 N ATOM 1206 CA ARG A 94 -14.298 -21.739 -3.157 1.00 11.14 C ATOM 1207 C ARG A 94 -14.212 -20.415 -3.916 1.00 9.59 C ATOM 1208 O ARG A 94 -14.478 -20.363 -5.116 1.00 9.49 O ATOM 1209 CB ARG A 94 -15.613 -21.798 -2.379 1.00 13.21 C ATOM 1210 CG ARG A 94 -16.857 -21.578 -3.217 1.00 19.06 C ATOM 1211 CD ARG A 94 -18.072 -21.407 -2.318 1.00 22.80 C ATOM 1212 NE ARG A 94 -19.312 -21.257 -3.072 1.00 25.78 N ATOM 1213 CZ ARG A 94 -20.504 -21.080 -2.511 1.00 27.21 C ATOM 1214 NH1 ARG A 94 -21.585 -20.952 -3.267 1.00 27.96 N ATOM 1215 NH2 ARG A 94 -20.615 -21.033 -1.191 1.00 28.65 N ATOM 1216 HA ARG A 94 -14.258 -22.548 -3.886 1.00 0.00 H ATOM 1217 HB2 ARG A 94 -15.687 -22.780 -1.912 1.00 0.00 H ATOM 1218 HB3 ARG A 94 -15.585 -21.031 -1.605 1.00 0.00 H ATOM 1219 HG2 ARG A 94 -16.729 -20.682 -3.824 1.00 0.00 H ATOM 1220 HG3 ARG A 94 -17.009 -22.438 -3.869 1.00 0.00 H ATOM 1221 HD2 ARG A 94 -17.928 -20.519 -1.702 1.00 0.00 H ATOM 1222 HD3 ARG A 94 -18.158 -22.284 -1.676 1.00 0.00 H ATOM 1223 HE ARG A 94 -19.260 -21.291 -4.110 1.00 0.00 H ATOM 1224 HH12 ARG A 94 -22.516 -20.814 -2.824 1.00 0.00 H ATOM 1225 HH11 ARG A 94 -21.502 -20.990 -4.303 1.00 0.00 H ATOM 1226 HH22 ARG A 94 -21.548 -20.895 -0.752 1.00 0.00 H ATOM 1227 HH21 ARG A 94 -19.769 -21.135 -0.594 1.00 0.00 H ATOM 1228 H ARG A 94 -13.363 -21.978 -1.219 1.00 0.00 H ATOM 1229 N ILE A 95 -13.846 -19.349 -3.215 1.00 9.62 N ATOM 1230 CA ILE A 95 -13.720 -18.044 -3.847 1.00 9.59 C ATOM 1231 C ILE A 95 -12.590 -18.013 -4.875 1.00 9.06 C ATOM 1232 O ILE A 95 -12.755 -17.476 -5.976 1.00 9.17 O ATOM 1233 CB ILE A 95 -13.500 -16.944 -2.787 1.00 8.64 C ATOM 1234 CG1 ILE A 95 -14.798 -16.727 -2.004 1.00 10.42 C ATOM 1235 CG2 ILE A 95 -13.034 -15.657 -3.447 1.00 10.17 C ATOM 1236 CD1 ILE A 95 -14.635 -15.883 -0.759 1.00 11.12 C ATOM 1237 HA ILE A 95 -14.655 -17.852 -4.374 1.00 0.00 H ATOM 1238 HB ILE A 95 -12.721 -17.258 -2.092 1.00 0.00 H ATOM 1239 HG12 ILE A 95 -15.516 -16.234 -2.660 1.00 0.00 H ATOM 1240 HG13 ILE A 95 -15.187 -17.702 -1.709 1.00 0.00 H ATOM 1241 HD11 ILE A 95 -13.929 -16.367 -0.084 1.00 0.00 H ATOM 1242 HD12 ILE A 95 -14.258 -14.898 -1.036 1.00 0.00 H ATOM 1243 HD13 ILE A 95 -15.600 -15.778 -0.264 1.00 0.00 H ATOM 1244 HG21 ILE A 95 -12.096 -15.838 -3.971 1.00 0.00 H ATOM 1245 HG22 ILE A 95 -13.789 -15.320 -4.157 1.00 0.00 H ATOM 1246 HG23 ILE A 95 -12.884 -14.893 -2.684 1.00 0.00 H ATOM 1247 H ILE A 95 -13.646 -19.448 -2.199 1.00 0.00 H ATOM 1248 N TYR A 96 -11.449 -18.601 -4.530 1.00 9.38 N ATOM 1249 CA TYR A 96 -10.352 -18.708 -5.490 1.00 8.72 C ATOM 1250 C TYR A 96 -10.796 -19.462 -6.745 1.00 9.84 C ATOM 1251 O TYR A 96 -10.459 -19.069 -7.862 1.00 10.47 O ATOM 1252 CB TYR A 96 -9.141 -19.403 -4.846 1.00 9.70 C ATOM 1253 CG TYR A 96 -8.154 -18.442 -4.220 1.00 9.50 C ATOM 1254 CD1 TYR A 96 -8.482 -17.714 -3.085 1.00 10.49 C ATOM 1255 CD2 TYR A 96 -6.904 -18.229 -4.791 1.00 9.69 C ATOM 1256 CE1 TYR A 96 -7.595 -16.801 -2.540 1.00 11.99 C ATOM 1257 CE2 TYR A 96 -6.016 -17.318 -4.255 1.00 13.54 C ATOM 1258 CZ TYR A 96 -6.364 -16.606 -3.133 1.00 11.71 C ATOM 1259 OH TYR A 96 -5.477 -15.688 -2.613 1.00 15.54 O ATOM 1260 HA TYR A 96 -10.059 -17.700 -5.785 1.00 0.00 H ATOM 1261 HB3 TYR A 96 -8.624 -19.977 -5.615 1.00 0.00 H ATOM 1262 HB2 TYR A 96 -9.503 -20.079 -4.071 1.00 0.00 H ATOM 1263 HD2 TYR A 96 -6.620 -18.793 -5.680 1.00 0.00 H ATOM 1264 HE2 TYR A 96 -5.042 -17.164 -4.720 1.00 0.00 H ATOM 1265 HE1 TYR A 96 -7.868 -16.239 -1.647 1.00 0.00 H ATOM 1266 HD1 TYR A 96 -9.454 -17.863 -2.615 1.00 0.00 H ATOM 1267 HH TYR A 96 -5.875 -15.264 -1.812 1.00 0.00 H ATOM 1268 H TYR A 96 -11.336 -18.987 -3.571 1.00 0.00 H ATOM 1269 N ALA A 97 -11.567 -20.530 -6.570 1.00 10.49 N ATOM 1270 CA ALA A 97 -12.044 -21.319 -7.705 1.00 10.43 C ATOM 1271 C ALA A 97 -12.984 -20.514 -8.601 1.00 10.47 C ATOM 1272 O ALA A 97 -12.919 -20.609 -9.828 1.00 11.51 O ATOM 1273 CB ALA A 97 -12.751 -22.569 -7.207 1.00 11.83 C ATOM 1274 HA ALA A 97 -11.176 -21.600 -8.301 1.00 0.00 H ATOM 1275 HB1 ALA A 97 -12.056 -23.168 -6.619 1.00 0.00 H ATOM 1276 HB2 ALA A 97 -13.600 -22.282 -6.586 1.00 0.00 H ATOM 1277 HB3 ALA A 97 -13.103 -23.150 -8.060 1.00 0.00 H ATOM 1278 H ALA A 97 -11.837 -20.811 -5.606 1.00 0.00 H ATOM 1279 N MET A 98 -13.864 -19.726 -7.991 1.00 10.20 N ATOM 1280 CA MET A 98 -14.805 -18.926 -8.759 1.00 10.07 C ATOM 1281 C MET A 98 -14.080 -17.834 -9.538 1.00 10.40 C ATOM 1282 O MET A 98 -14.472 -17.496 -10.652 1.00 12.29 O ATOM 1283 CB MET A 98 -15.863 -18.315 -7.832 1.00 10.67 C ATOM 1284 CG MET A 98 -16.775 -19.360 -7.190 1.00 13.03 C ATOM 1285 SD MET A 98 -18.165 -18.699 -6.248 1.00 15.41 S ATOM 1286 CE MET A 98 -17.308 -17.840 -4.956 1.00 15.30 C ATOM 1287 HA MET A 98 -15.304 -19.577 -9.476 1.00 0.00 H ATOM 1288 HB2 MET A 98 -15.354 -17.765 -7.040 1.00 0.00 H ATOM 1289 HB3 MET A 98 -16.478 -17.628 -8.413 1.00 0.00 H ATOM 1290 HG2 MET A 98 -16.170 -19.967 -6.516 1.00 0.00 H ATOM 1291 HG3 MET A 98 -17.176 -19.990 -7.984 1.00 0.00 H ATOM 1292 HE1 MET A 98 -16.696 -18.547 -4.396 1.00 0.00 H ATOM 1293 HE2 MET A 98 -16.670 -17.072 -5.393 1.00 0.00 H ATOM 1294 HE3 MET A 98 -18.033 -17.375 -4.287 1.00 0.00 H ATOM 1295 H MET A 98 -13.880 -19.681 -6.952 1.00 0.00 H ATOM 1296 N ILE A 99 -13.015 -17.294 -8.958 1.00 9.15 N ATOM 1297 CA ILE A 99 -12.191 -16.323 -9.657 1.00 9.34 C ATOM 1298 C ILE A 99 -11.386 -16.970 -10.783 1.00 10.10 C ATOM 1299 O ILE A 99 -11.292 -16.417 -11.881 1.00 10.60 O ATOM 1300 CB ILE A 99 -11.242 -15.614 -8.672 1.00 9.06 C ATOM 1301 CG1 ILE A 99 -12.064 -14.709 -7.746 1.00 9.67 C ATOM 1302 CG2 ILE A 99 -10.179 -14.827 -9.431 1.00 10.04 C ATOM 1303 CD1 ILE A 99 -11.302 -14.183 -6.541 1.00 11.63 C ATOM 1304 HA ILE A 99 -12.861 -15.588 -10.103 1.00 0.00 H ATOM 1305 HB ILE A 99 -10.722 -16.353 -8.062 1.00 0.00 H ATOM 1306 HG12 ILE A 99 -12.415 -13.856 -8.327 1.00 0.00 H ATOM 1307 HG13 ILE A 99 -12.921 -15.278 -7.386 1.00 0.00 H ATOM 1308 HD11 ILE A 99 -10.954 -15.022 -5.938 1.00 0.00 H ATOM 1309 HD12 ILE A 99 -10.447 -13.598 -6.880 1.00 0.00 H ATOM 1310 HD13 ILE A 99 -11.961 -13.553 -5.943 1.00 0.00 H ATOM 1311 HG21 ILE A 99 -9.600 -15.509 -10.054 1.00 0.00 H ATOM 1312 HG22 ILE A 99 -10.662 -14.079 -10.060 1.00 0.00 H ATOM 1313 HG23 ILE A 99 -9.518 -14.333 -8.719 1.00 0.00 H ATOM 1314 H ILE A 99 -12.766 -17.571 -7.987 1.00 0.00 H ATOM 1315 N SER A 100 -10.807 -18.137 -10.525 1.00 10.14 N ATOM 1316 CA SER A 100 -9.968 -18.776 -11.530 1.00 9.17 C ATOM 1317 C SER A 100 -10.724 -19.082 -12.817 1.00 9.90 C ATOM 1318 O SER A 100 -10.152 -19.008 -13.903 1.00 10.49 O ATOM 1319 CB SER A 100 -9.356 -20.060 -10.976 1.00 10.10 C ATOM 1320 OG SER A 100 -8.406 -19.757 -9.973 1.00 8.07 O ATOM 1321 HA SER A 100 -9.178 -18.066 -11.775 1.00 0.00 H ATOM 1322 HB2 SER A 100 -8.866 -20.603 -11.784 1.00 0.00 H ATOM 1323 HB3 SER A 100 -10.145 -20.680 -10.549 1.00 0.00 H ATOM 1324 HG SER A 100 -8.850 -19.266 -9.237 1.00 0.00 H ATOM 1325 H SER A 100 -10.953 -18.596 -9.603 1.00 0.00 H ATOM 1326 N ARG A 101 -12.007 -19.418 -12.707 1.00 11.33 N ATOM 1327 CA ARG A 101 -12.790 -19.691 -13.903 1.00 12.47 C ATOM 1328 C ARG A 101 -12.891 -18.436 -14.758 1.00 12.57 C ATOM 1329 O ARG A 101 -13.308 -18.490 -15.914 1.00 13.55 O ATOM 1330 CB ARG A 101 -14.192 -20.183 -13.525 1.00 15.98 C ATOM 1331 CG ARG A 101 -14.198 -21.536 -12.828 1.00 19.10 C ATOM 1332 CD ARG A 101 -15.605 -22.100 -12.692 1.00 23.85 C ATOM 1333 NE ARG A 101 -16.429 -21.323 -11.771 1.00 27.57 N ATOM 1334 CZ ARG A 101 -16.528 -21.565 -10.467 1.00 29.49 C ATOM 1335 NH1 ARG A 101 -15.853 -22.566 -9.919 1.00 29.72 N ATOM 1336 NH2 ARG A 101 -17.307 -20.806 -9.710 1.00 31.28 N ATOM 1337 HA ARG A 101 -12.290 -20.472 -14.475 1.00 0.00 H ATOM 1338 HB2 ARG A 101 -14.646 -19.450 -12.858 1.00 0.00 H ATOM 1339 HB3 ARG A 101 -14.786 -20.262 -14.435 1.00 0.00 H ATOM 1340 HG2 ARG A 101 -13.593 -22.234 -13.407 1.00 0.00 H ATOM 1341 HG3 ARG A 101 -13.766 -21.422 -11.834 1.00 0.00 H ATOM 1342 HD2 ARG A 101 -15.538 -23.124 -12.324 1.00 0.00 H ATOM 1343 HD3 ARG A 101 -16.080 -22.098 -13.673 1.00 0.00 H ATOM 1344 HE ARG A 101 -16.975 -20.528 -12.160 1.00 0.00 H ATOM 1345 HH12 ARG A 101 -15.934 -22.751 -8.899 1.00 0.00 H ATOM 1346 HH11 ARG A 101 -15.243 -23.166 -10.509 1.00 0.00 H ATOM 1347 HH22 ARG A 101 -17.385 -20.995 -8.690 1.00 0.00 H ATOM 1348 HH21 ARG A 101 -17.841 -20.021 -10.136 1.00 0.00 H ATOM 1349 H ARG A 101 -12.449 -19.485 -11.768 1.00 0.00 H ATOM 1350 N ASN A 102 -12.503 -17.305 -14.177 1.00 9.94 N ATOM 1351 CA ASN A 102 -12.550 -16.021 -14.864 1.00 9.42 C ATOM 1352 C ASN A 102 -11.166 -15.407 -15.048 1.00 9.37 C ATOM 1353 O ASN A 102 -11.009 -14.185 -15.084 1.00 9.02 O ATOM 1354 CB ASN A 102 -13.450 -15.061 -14.093 1.00 8.83 C ATOM 1355 CG ASN A 102 -14.904 -15.476 -14.149 1.00 10.22 C ATOM 1356 OD1 ASN A 102 -15.546 -15.354 -15.189 1.00 10.98 O ATOM 1357 ND2 ASN A 102 -15.430 -15.980 -13.034 1.00 10.62 N ATOM 1358 HA ASN A 102 -12.957 -16.196 -15.860 1.00 0.00 H ATOM 1359 HB2 ASN A 102 -13.130 -15.039 -13.051 1.00 0.00 H ATOM 1360 HB3 ASN A 102 -13.352 -14.064 -14.523 1.00 0.00 H ATOM 1361 HD22 ASN A 102 -14.848 -16.064 -12.176 1.00 0.00 H ATOM 1362 HD21 ASN A 102 -16.423 -16.289 -13.021 1.00 0.00 H ATOM 1363 H ASN A 102 -12.154 -17.338 -13.198 1.00 0.00 H ATOM 1364 N LEU A 103 -10.163 -16.271 -15.157 1.00 8.93 N ATOM 1365 CA LEU A 103 -8.801 -15.849 -15.462 1.00 9.65 C ATOM 1366 C LEU A 103 -8.327 -16.583 -16.707 1.00 10.98 C ATOM 1367 O LEU A 103 -8.710 -17.729 -16.946 1.00 12.34 O ATOM 1368 CB LEU A 103 -7.857 -16.176 -14.302 1.00 9.63 C ATOM 1369 CG LEU A 103 -8.165 -15.502 -12.963 1.00 10.66 C ATOM 1370 CD1 LEU A 103 -7.184 -15.995 -11.905 1.00 12.23 C ATOM 1371 CD2 LEU A 103 -8.077 -13.990 -13.112 1.00 10.75 C ATOM 1372 HA LEU A 103 -8.795 -14.771 -15.624 1.00 0.00 H ATOM 1373 HB2 LEU A 103 -7.885 -17.254 -14.145 1.00 0.00 H ATOM 1374 HB3 LEU A 103 -6.851 -15.880 -14.599 1.00 0.00 H ATOM 1375 HG LEU A 103 -9.177 -15.760 -12.650 1.00 0.00 H ATOM 1376 HD21 LEU A 103 -7.071 -13.715 -13.431 1.00 0.00 H ATOM 1377 HD22 LEU A 103 -8.799 -13.657 -13.857 1.00 0.00 H ATOM 1378 HD23 LEU A 103 -8.298 -13.518 -12.154 1.00 0.00 H ATOM 1379 HD11 LEU A 103 -7.280 -17.075 -11.798 1.00 0.00 H ATOM 1380 HD12 LEU A 103 -6.167 -15.748 -12.211 1.00 0.00 H ATOM 1381 HD13 LEU A 103 -7.406 -15.513 -10.953 1.00 0.00 H ATOM 1382 H LEU A 103 -10.356 -17.284 -15.020 1.00 0.00 H ATOM 1383 N VAL A 104 -7.488 -15.926 -17.497 1.00 11.17 N ATOM 1384 CA VAL A 104 -6.896 -16.580 -18.658 1.00 13.27 C ATOM 1385 C VAL A 104 -5.935 -17.687 -18.237 1.00 16.45 C ATOM 1386 O VAL A 104 -5.083 -17.492 -17.368 1.00 16.33 O ATOM 1387 CB VAL A 104 -6.127 -15.576 -19.530 1.00 12.21 C ATOM 1388 CG1 VAL A 104 -5.429 -16.307 -20.671 1.00 14.90 C ATOM 1389 CG2 VAL A 104 -7.082 -14.539 -20.084 1.00 12.97 C ATOM 1390 HA VAL A 104 -7.719 -17.007 -19.231 1.00 0.00 H ATOM 1391 HB VAL A 104 -5.375 -15.075 -18.920 1.00 0.00 H ATOM 1392 HG11 VAL A 104 -4.730 -17.036 -20.260 1.00 0.00 H ATOM 1393 HG12 VAL A 104 -6.173 -16.819 -21.282 1.00 0.00 H ATOM 1394 HG13 VAL A 104 -4.886 -15.587 -21.284 1.00 0.00 H ATOM 1395 HG21 VAL A 104 -7.842 -15.033 -20.689 1.00 0.00 H ATOM 1396 HG22 VAL A 104 -7.559 -14.009 -19.260 1.00 0.00 H ATOM 1397 HG23 VAL A 104 -6.529 -13.831 -20.701 1.00 0.00 H ATOM 1398 H VAL A 104 -7.250 -14.936 -17.286 1.00 0.00 H ATOM 1399 N SER A 105 -6.087 -18.853 -18.857 1.00 19.88 N ATOM 1400 CA SER A 105 -5.144 -19.950 -18.685 1.00 24.79 C ATOM 1401 C SER A 105 -4.085 -19.884 -19.780 1.00 26.38 C ATOM 1402 O SER A 105 -2.889 -19.784 -19.438 1.00 29.06 O ATOM 1403 CB SER A 105 -5.871 -21.296 -18.760 1.00 25.32 C ATOM 1404 OG SER A 105 -6.876 -21.397 -17.768 1.00 29.71 O ATOM 1405 HA SER A 105 -4.672 -19.859 -17.707 1.00 0.00 H ATOM 1406 OXT SER A 105 -4.469 -19.937 -20.969 1.00 28.99 O ATOM 1407 HB2 SER A 105 -5.148 -22.098 -18.615 1.00 0.00 H ATOM 1408 HB3 SER A 105 -6.331 -21.396 -19.743 1.00 0.00 H ATOM 1409 HG SER A 105 -7.539 -20.674 -17.897 1.00 0.00 H ATOM 1410 H SER A 105 -6.905 -18.986 -19.485 1.00 0.00 H TER 1411 SER A 105 HETATM 1412 O HOH 1 -1.117 -13.844 -7.532 1.00 8.92 O HETATM 1413 O HOH 2 -1.378 -12.140 -4.299 1.00 15.10 O HETATM 1414 O HOH 3 0.218 -5.663 -13.668 1.00 28.25 O HETATM 1415 O HOH 4 -1.863 -14.119 -18.524 1.00 12.00 O HETATM 1416 O HOH 5 -4.313 -15.438 -15.579 1.00 12.18 O HETATM 1417 O HOH 6 -7.289 -8.709 -18.402 1.00 11.48 O HETATM 1418 O HOH 7 -11.331 -18.335 -18.640 1.00 29.78 O HETATM 1419 O HOH 8 -6.593 -8.707 -20.979 1.00 21.66 O HETATM 1420 O HOH 9 -13.796 -6.343 -20.473 1.00 16.26 O HETATM 1421 O HOH 10 -12.945 -4.128 -19.265 1.00 18.25 O HETATM 1422 O HOH 11 -14.828 -13.081 -16.786 1.00 9.18 O HETATM 1423 O HOH 12 -16.079 -1.613 -16.549 1.00 27.57 O HETATM 1424 O HOH 13 -11.595 -0.813 -6.093 1.00 18.26 O HETATM 1425 O HOH 14 -9.441 -8.392 0.348 1.00 25.98 O HETATM 1426 O HOH 15 -9.101 1.188 -5.479 1.00 40.53 O HETATM 1427 O HOH 16 -11.796 -4.609 -0.560 1.00 13.49 O HETATM 1428 O HOH 17 -13.549 -7.232 5.307 1.00 35.47 O HETATM 1429 O HOH 18 -5.728 -6.415 -0.088 1.00 30.78 O HETATM 1430 O HOH 19 -7.080 -8.751 -0.971 1.00 13.76 O HETATM 1431 O HOH 20 -6.350 -11.289 0.140 1.00 29.52 O HETATM 1432 O HOH 21 -5.396 -0.589 -10.492 1.00 28.25 O HETATM 1433 O HOH 22 -4.990 -2.608 -8.800 1.00 26.10 O HETATM 1434 O HOH 23 -0.428 -7.631 -4.243 1.00 14.65 O HETATM 1435 O HOH 24 -22.234 -4.764 -12.101 1.00 37.79 O HETATM 1436 O HOH 25 -18.313 2.668 -11.959 1.00 38.51 O HETATM 1437 O HOH 26 -21.728 -2.436 2.283 1.00 13.75 O HETATM 1438 O HOH 27 -26.713 -3.248 -5.303 1.00 27.14 O HETATM 1439 O HOH 28 -27.167 -5.459 -6.781 1.00 14.28 O HETATM 1440 O HOH 29 -28.443 -7.077 -5.022 1.00 24.23 O HETATM 1441 O HOH 30 -27.707 -9.945 -4.844 1.00 11.37 O HETATM 1442 O HOH 31 -17.328 -8.571 8.226 1.00 48.19 O HETATM 1443 O HOH 32 -30.218 -10.610 -2.932 1.00 43.82 O HETATM 1444 O HOH 33 -29.547 -7.936 -2.808 1.00 44.97 O HETATM 1445 O HOH 34 -31.039 -11.081 5.112 1.00 14.35 O HETATM 1446 O HOH 35 -30.129 -12.904 7.971 1.00 41.75 O HETATM 1447 O HOH 36 -28.637 -14.065 -2.728 1.00 11.69 O HETATM 1448 O HOH 37 -27.385 -13.331 -10.338 1.00 12.62 O HETATM 1449 O HOH 38 -17.550 -19.058 -13.940 1.00 41.41 O HETATM 1450 O HOH 39 -17.024 -12.557 7.941 1.00 35.74 O HETATM 1451 O HOH 40 -13.279 -22.176 5.150 1.00 29.72 O HETATM 1452 O HOH 41 -11.367 -12.524 5.605 1.00 42.78 O HETATM 1453 O HOH 42 -2.844 -13.772 -2.549 1.00 37.60 O HETATM 1454 O HOH 43 -5.841 -14.091 -0.575 1.00 20.66 O HETATM 1455 O HOH 44 -15.731 -6.237 1.188 1.00 12.40 O HETATM 1456 O HOH 45 -0.272 -5.764 -10.547 1.00 45.77 O HETATM 1457 O HOH 46 -31.188 -10.294 7.945 1.00 46.99 O HETATM 1458 O HOH 47 -4.351 -17.644 -13.965 1.00 36.04 O HETATM 1459 O HOH 48 -1.596 -15.035 -15.938 1.00 15.82 O HETATM 1460 O HOH 49 0.240 -11.176 -0.808 1.00 44.85 O HETATM 1461 O HOH 50 -11.832 -22.893 -10.954 1.00 19.38 O HETATM 1462 O HOH 51 -12.269 -7.383 -22.493 1.00 23.65 O HETATM 1463 O HOH 52 -19.824 -7.213 -14.484 1.00 40.92 O HETATM 1464 O HOH 53 -29.683 -17.157 -8.955 1.00 43.04 O HETATM 1465 O HOH 54 -11.528 2.033 -14.056 1.00 33.00 O HETATM 1466 O HOH 55 -14.098 -24.507 -10.479 1.00 42.14 O HETATM 1467 O HOH 56 -32.851 -13.077 -3.706 1.00 16.69 O HETATM 1468 O HOH 57 -10.627 -6.340 1.322 1.00 37.70 O HETATM 1469 O HOH 58 -20.365 -9.177 -12.947 1.00 14.31 O HETATM 1470 O HOH 59 -1.159 -3.403 -5.028 1.00 42.52 O HETATM 1471 O HOH 60 -10.869 -3.095 -20.567 1.00 34.69 O HETATM 1472 O HOH 61 0.189 -5.481 -0.946 1.00 44.16 O HETATM 1473 O HOH 62 -15.459 1.186 -15.758 1.00 41.83 O HETATM 1474 O HOH 63 0.273 -10.034 -3.233 1.00 35.79 O HETATM 1475 O HOH 64 -9.158 3.723 -15.847 1.00 40.97 O HETATM 1476 O HOH 65 -12.109 1.109 -4.068 1.00 17.46 O HETATM 1477 O HOH 66 -14.368 -9.398 9.106 1.00 34.25 O HETATM 1478 O HOH 67 -25.469 -5.114 4.024 1.00 20.22 O HETATM 1479 O HOH 68 -13.138 -6.707 1.195 1.00 31.88 O HETATM 1480 O HOH 69 -25.328 -7.185 12.043 1.00 43.83 O HETATM 1481 O HOH 70 -22.584 -11.365 11.349 1.00 37.03 O HETATM 1482 O HOH 71 -21.065 -13.548 10.712 1.00 39.94 O HETATM 1483 O HOH 72 -16.263 -22.466 -6.273 1.00 26.41 O HETATM 1484 O HOH 73 -16.445 -24.214 0.645 1.00 44.86 O HETATM 1485 O HOH 74 -31.512 -6.773 4.209 1.00 47.41 O HETATM 1486 O HOH 75 -17.813 -16.378 -16.154 1.00 20.87 O HETATM 1487 O HOH 76 -18.483 1.956 -14.643 1.00 37.08 O HETATM 1488 O HOH 77 -18.275 -12.595 10.296 1.00 25.98 O HETATM 1489 O HOH 78 -17.639 -10.320 6.122 1.00 19.71 O HETATM 1490 O HOH 79 -9.605 -4.180 2.032 1.00 30.74 O HETATM 1491 O HOH 80 -29.774 -8.749 4.312 1.00 16.03 O HETATM 1492 O HOH 81 -13.407 -26.333 -1.264 1.00 36.72 O HETATM 1493 O HOH 82 -14.627 -2.051 -19.032 1.00 31.44 O HETATM 1494 O HOH 83 -31.166 -6.237 -4.451 1.00 45.95 O HETATM 1495 O HOH 84 -29.163 -4.758 -8.716 1.00 44.92 O HETATM 1496 O HOH 85 -24.914 -3.554 -13.416 1.00 41.18 O HETATM 1497 O HOH 86 -1.920 -4.181 -17.050 1.00 28.02 O HETATM 1498 O HOH 87 -1.569 -5.483 -3.018 1.00 20.97 O HETATM 1499 O HOH 88 -27.975 -4.166 -2.323 1.00 29.95 O HETATM 1500 O HOH 89 -4.333 -4.991 -3.073 1.00 29.64 O HETATM 1501 O HOH 90 -7.957 -19.516 -20.809 1.00 34.26 O HETATM 1502 O HOH 91 -16.871 -18.757 -11.410 1.00 30.09 O HETATM 1503 O HOH 92 -27.187 -15.948 -8.970 1.00 26.10 O HETATM 1504 O HOH 93 -29.999 -14.815 -10.352 1.00 34.32 O HETATM 1505 O HOH 94 -14.030 -16.608 -18.541 1.00 31.44 O HETATM 1506 O HOH 95 -4.757 -2.557 -4.389 1.00 42.11 O HETATM 1507 O HOH 96 -27.159 -4.662 -12.024 1.00 24.57 O HETATM 1508 O HOH 97 -8.195 -20.214 -15.875 1.00 41.85 O HETATM 1509 O HOH 98 -12.566 -14.747 5.909 1.00 30.30 O HETATM 1510 O HOH 99 -14.236 -13.637 7.850 1.00 37.80 O HETATM 1511 O HOH 100 1.009 -4.675 -7.975 1.00 37.08 O HETATM 1512 O HOH 101 -15.200 -24.931 -5.820 1.00 29.19 O HETATM 1513 O HOH 102 -25.668 -20.500 -3.970 1.00 49.27 O HETATM 1514 O HOH 103 -19.734 -21.651 -9.492 1.00 49.35 O HETATM 1515 O HOH 104 -10.795 -22.921 -13.438 1.00 48.19 O HETATM 1516 O HOH 105 -13.280 -25.083 -3.845 1.00 33.20 O HETATM 1517 O HOH 106 -2.740 1.023 -12.039 1.00 45.66 O HETATM 1518 O HOH 107 -6.223 -19.510 -14.120 1.00 37.42 O HETATM 1519 O HOH 108 -2.080 -16.864 -18.178 1.00 29.41 O HETATM 1520 O HOH 109 3.978 -8.756 -9.166 1.00 33.13 O HETATM 1521 O HOH 110 -2.914 0.698 -7.101 1.00 48.18 O HETATM 1522 O HOH 111 -9.032 0.855 -19.248 1.00 44.70 O HETATM 1523 O HOH 112 -10.094 -17.652 -21.232 1.00 39.02 O HETATM 1524 O HOH 113 -9.676 1.758 -2.884 1.00 20.60 O HETATM 1525 O HOH 114 -23.106 -4.851 2.412 1.00 13.95 O HETATM 1526 O HOH 115 -20.371 -16.539 -16.130 1.00 44.73 O HETATM 1527 O HOH 116 -28.304 -20.744 -3.016 1.00 51.14 O HETATM 1528 N1 I A 18 -13.750 -9.508 2.633 1.00 -0.27 N HETATM 1529 C5 I A 18 -12.671 -9.726 1.667 1.00 0.10 C HETATM 1530 C51 I A 18 -13.223 -10.346 0.406 1.00 -0.01 C HETATM 1531 C56 I A 18 -14.475 -10.965 0.435 1.00 -0.06 C HETATM 1532 C55 I A 18 -15.014 -11.513 -0.724 1.00 -0.05 C HETATM 1533 C54 I A 18 -14.291 -11.452 -1.916 1.00 0.03 C HETATM 1534 CL5 I A 18 -14.946 -12.201 -3.355 1.00 -0.08 CL HETATM 1535 C53 I A 18 -13.044 -10.819 -1.961 1.00 -0.05 C HETATM 1536 C52 I A 18 -12.508 -10.273 -0.795 1.00 -0.06 C HETATM 1537 H10 I A 18 -11.537 -9.792 -0.819 1.00 0.06 H HETATM 1538 H9 I A 18 -12.498 -10.754 -2.895 1.00 0.06 H HETATM 1539 H8 I A 18 -15.990 -11.985 -0.702 1.00 0.06 H HETATM 1540 H7 I A 18 -15.029 -11.018 1.365 1.00 0.06 H HETATM 1541 C4 I A 18 -11.703 -10.657 2.454 1.00 0.05 C HETATM 1542 C41 I A 18 -11.380 -11.948 1.748 1.00 -0.03 C HETATM 1543 C42 I A 18 -10.183 -12.066 1.040 1.00 -0.06 C HETATM 1544 C43 I A 18 -9.873 -13.249 0.382 1.00 -0.05 C HETATM 1545 C44 I A 18 -10.772 -14.314 0.422 1.00 0.03 C HETATM 1546 CL4 I A 18 -10.430 -15.761 -0.498 1.00 -0.08 CL HETATM 1547 C45 I A 18 -11.952 -14.222 1.163 1.00 -0.05 C HETATM 1548 C46 I A 18 -12.256 -13.035 1.823 1.00 -0.06 C HETATM 1549 H14 I A 18 -13.173 -12.953 2.396 1.00 0.06 H HETATM 1550 H13 I A 18 -12.626 -15.069 1.224 1.00 0.06 H HETATM 1551 H12 I A 18 -8.938 -13.344 -0.159 1.00 0.06 H HETATM 1552 H11 I A 18 -9.493 -11.231 1.004 1.00 0.06 H HETATM 1553 N3 I A 18 -12.385 -10.909 3.723 1.00 -0.35 N HETATM 1554 C2 I A 18 -13.482 -10.254 3.762 1.00 0.09 C HETATM 1555 C21 I A 18 -14.460 -10.240 4.903 1.00 0.02 C HETATM 1556 H4 I A 18 -14.088 -10.885 5.713 1.00 0.05 H HETATM 1557 H5 I A 18 -15.435 -10.613 4.555 1.00 0.05 H HETATM 1558 H6 I A 18 -14.573 -9.212 5.277 1.00 0.05 H HETATM 1559 H3 I A 18 -10.758 -10.125 2.637 1.00 0.05 H HETATM 1560 H2 I A 18 -12.170 -8.781 1.410 1.00 0.08 H HETATM 1561 H1 I A 18 -14.570 -8.901 2.493 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1528 1529 1554 1561 CONECT 1529 1528 1530 1541 1560 CONECT 1530 1529 1531 1536 CONECT 1531 1530 1532 1540 CONECT 1532 1531 1533 1539 CONECT 1533 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 1536 1538 CONECT 1536 1530 1535 1537 CONECT 1537 1536 CONECT 1538 1535 CONECT 1539 1532 CONECT 1540 1531 CONECT 1541 1529 1542 1553 1559 CONECT 1542 1541 1543 1548 CONECT 1543 1542 1544 1552 CONECT 1544 1543 1545 1551 CONECT 1545 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 1548 1550 CONECT 1548 1542 1547 1549 CONECT 1549 1548 CONECT 1550 1547 CONECT 1551 1544 CONECT 1552 1543 CONECT 1553 1541 1554 CONECT 1554 1528 1553 1555 CONECT 1555 1554 1556 1557 1558 CONECT 1556 1555 CONECT 1557 1555 CONECT 1558 1555 CONECT 1559 1541 CONECT 1560 1529 CONECT 1561 1528 MASTER 0 0 0 0 0 0 0 0 1560 1 38 7 END
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Related entries of code: 4j74
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
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4jrg
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PDBbind
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4jsc
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PDBbind
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RCSB PDB
PDBbind
86aa, >4LWT_1|Chain... at 98%
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PDBbind
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PDBbind
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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
4j74
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
E3 ubiquitin-protein ligase Mdm2 (I50L, P92H, L95I mutation)
Ligand Name
I18
EC.Number
E.C.6.3.2
Resolution
1.2(Å)
Affinity (Kd/Ki/IC50)
Kd=26uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) ACS MED.CHEM.LETT. Vol. 4: pp. 660-665
Ligand Properties
Formula
C
1
6
H
1
4
Cl
2
N
2
Molecular Weight
305.202
Exact Mass
304.053
No. of atoms
34
No. of bonds
36
Polar Surface Area
24.39
LOGP Value
3.70 (
Computed with XLOGP3
)
4.56 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 3
Canonical SMILES
Clc1ccc(cc1)[C@@H]1N=C(N[C@@H]1c1ccc(cc1)Cl)C
InChI String
InChI=1S/C16H14Cl2N2/c1-10-19-15(11-2-6-13(17)7-3-11)16(20-10)12-4-8-14(18)9-5-12/h2-9,15-16H,1H3,(H,19,20)/t15-,16+
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):
P56273
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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