Browse entries in the PDBbind-CN Database
HEADER 2LSR_COMPLEX COMPND 2LSR_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 80 MET ASP ARG LYS VAL ALA ARG GLU PHE ARG HIS LYS VAL SEQRES 2 A 80 ASP PHE LEU ILE GLU ASN ASP ALA GLU LYS ASP TYR LEU SEQRES 3 A 80 TYR ASP VAL LEU ARG MET TYR HIS GLN THR MET ASP VAL SEQRES 4 A 80 ALA VAL LEU VAL GLY ASP LEU LYS LEU VAL ILE ASN GLU SEQRES 5 A 80 PRO SER ARG LEU PRO LEU PHE ASP ALA ILE ARG PRO LEU SEQRES 6 A 80 ILE PRO LEU LYS HIS GLN VAL GLU TYR ASP GLN LEU THR SEQRES 7 A 80 PRO ARG HET GLY A 81 285 ATOM 1 N MET A 1 -17.402 4.542 9.934 1.00 0.00 N ATOM 2 CA MET A 1 -18.312 5.267 9.008 1.00 0.00 C ATOM 3 C MET A 1 -17.860 5.117 7.560 1.00 0.00 C ATOM 4 O MET A 1 -18.679 5.108 6.640 1.00 0.00 O ATOM 5 CB MET A 1 -18.335 6.745 9.405 1.00 0.00 C ATOM 6 CG MET A 1 -16.995 7.442 9.235 1.00 0.00 C ATOM 7 SD MET A 1 -17.125 9.236 9.361 1.00 0.00 S ATOM 8 CE MET A 1 -16.539 9.501 11.034 1.00 0.00 C ATOM 9 HA MET A 1 -19.313 4.842 9.084 1.00 0.00 H ATOM 10 HB2 MET A 1 -19.071 7.257 8.785 1.00 0.00 H ATOM 11 HB3 MET A 1 -18.630 6.816 10.452 1.00 0.00 H ATOM 12 HG2 MET A 1 -16.592 7.189 8.255 1.00 0.00 H ATOM 13 HG3 MET A 1 -16.315 7.086 10.009 1.00 0.00 H ATOM 14 HE1 MET A 1 -17.183 8.967 11.732 1.00 0.00 H ATOM 15 HE2 MET A 1 -15.518 9.130 11.123 1.00 0.00 H ATOM 16 HE3 MET A 1 -16.561 10.567 11.261 1.00 0.00 H ATOM 17 HN3 MET A 1 -16.440 4.927 9.845 1.00 0.00 H ATOM 18 HN2 MET A 1 -17.396 3.531 9.691 1.00 0.00 H ATOM 19 HN1 MET A 1 -17.736 4.663 10.912 1.00 0.00 H ATOM 20 N ASP A 2 -16.551 4.999 7.364 1.00 0.00 N ATOM 21 CA ASP A 2 -15.988 4.848 6.028 1.00 0.00 C ATOM 22 C ASP A 2 -15.008 3.681 5.980 1.00 0.00 C ATOM 23 O ASP A 2 -14.008 3.727 5.262 1.00 0.00 O ATOM 24 CB ASP A 2 -15.287 6.139 5.599 1.00 0.00 C ATOM 25 CG ASP A 2 -15.515 6.463 4.136 1.00 0.00 C ATOM 26 OD1 ASP A 2 -16.688 6.500 3.711 1.00 0.00 O ATOM 27 OD2 ASP A 2 -14.518 6.679 3.414 1.00 0.00 O ATOM 28 HA ASP A 2 -16.805 4.640 5.337 1.00 0.00 H ATOM 29 HB2 ASP A 2 -15.668 6.962 6.203 1.00 0.00 H ATOM 30 HB3 ASP A 2 -14.216 6.030 5.771 1.00 0.00 H ATOM 31 H ASP A 2 -15.912 5.015 8.184 1.00 0.00 H ATOM 32 N ARG A 3 -15.299 2.638 6.749 1.00 0.00 N ATOM 33 CA ARG A 3 -14.442 1.458 6.793 1.00 0.00 C ATOM 34 C ARG A 3 -14.743 0.521 5.628 1.00 0.00 C ATOM 35 O ARG A 3 -13.847 -0.137 5.099 1.00 0.00 O ATOM 36 CB ARG A 3 -14.627 0.717 8.119 1.00 0.00 C ATOM 37 CG ARG A 3 -13.572 -0.348 8.373 1.00 0.00 C ATOM 38 CD ARG A 3 -12.660 0.030 9.529 1.00 0.00 C ATOM 39 NE ARG A 3 -13.415 0.386 10.727 1.00 0.00 N ATOM 40 CZ ARG A 3 -14.006 -0.502 11.524 1.00 0.00 C ATOM 41 NH1 ARG A 3 -13.930 -1.800 11.252 1.00 0.00 N ATOM 42 NH2 ARG A 3 -14.673 -0.094 12.594 1.00 0.00 N ATOM 43 HA ARG A 3 -13.407 1.789 6.710 1.00 0.00 H ATOM 44 HB2 ARG A 3 -14.585 1.445 8.930 1.00 0.00 H ATOM 45 HB3 ARG A 3 -15.606 0.238 8.113 1.00 0.00 H ATOM 46 HG2 ARG A 3 -14.069 -1.289 8.608 1.00 0.00 H ATOM 47 HG3 ARG A 3 -12.970 -0.471 7.473 1.00 0.00 H ATOM 48 HD2 ARG A 3 -12.049 0.882 9.232 1.00 0.00 H ATOM 49 HD3 ARG A 3 -12.013 -0.817 9.759 1.00 0.00 H ATOM 50 HE ARG A 3 -13.496 1.393 10.972 1.00 0.00 H ATOM 51 HH12 ARG A 3 -14.393 -2.490 11.877 1.00 0.00 H ATOM 52 HH11 ARG A 3 -13.407 -2.126 10.414 1.00 0.00 H ATOM 53 HH22 ARG A 3 -15.134 -0.789 13.216 1.00 0.00 H ATOM 54 HH21 ARG A 3 -14.735 0.921 12.812 1.00 0.00 H ATOM 55 H ARG A 3 -16.159 2.663 7.334 1.00 0.00 H ATOM 56 N LYS A 4 -16.011 0.465 5.232 1.00 0.00 N ATOM 57 CA LYS A 4 -16.431 -0.391 4.130 1.00 0.00 C ATOM 58 C LYS A 4 -15.727 0.005 2.836 1.00 0.00 C ATOM 59 O LYS A 4 -15.425 -0.844 1.998 1.00 0.00 O ATOM 60 CB LYS A 4 -17.948 -0.312 3.944 1.00 0.00 C ATOM 61 CG LYS A 4 -18.735 -0.799 5.151 1.00 0.00 C ATOM 62 CD LYS A 4 -20.009 0.007 5.348 1.00 0.00 C ATOM 63 CE LYS A 4 -21.236 -0.768 4.893 1.00 0.00 C ATOM 64 NZ LYS A 4 -21.166 -1.120 3.447 1.00 0.00 N ATOM 65 HA LYS A 4 -16.155 -1.417 4.374 1.00 0.00 H ATOM 66 HB2 LYS A 4 -18.218 0.726 3.752 1.00 0.00 H ATOM 67 HB3 LYS A 4 -18.222 -0.923 3.084 1.00 0.00 H ATOM 68 HG2 LYS A 4 -18.998 -1.847 5.004 1.00 0.00 H ATOM 69 HG3 LYS A 4 -18.114 -0.703 6.041 1.00 0.00 H ATOM 70 HD2 LYS A 4 -20.115 0.249 6.405 1.00 0.00 H ATOM 71 HD3 LYS A 4 -19.938 0.929 4.771 1.00 0.00 H ATOM 72 HE2 LYS A 4 -22.123 -0.158 5.065 1.00 0.00 H ATOM 73 HE3 LYS A 4 -21.310 -1.686 5.476 1.00 0.00 H ATOM 74 HZ1 LYS A 4 -21.102 -0.249 2.882 1.00 0.00 H ATOM 75 HZ2 LYS A 4 -20.326 -1.709 3.275 1.00 0.00 H ATOM 76 HZ3 LYS A 4 -22.021 -1.647 3.178 1.00 0.00 H ATOM 77 H LYS A 4 -16.721 1.047 5.721 1.00 0.00 H ATOM 78 N VAL A 5 -15.468 1.299 2.681 1.00 0.00 N ATOM 79 CA VAL A 5 -14.799 1.806 1.490 1.00 0.00 C ATOM 80 C VAL A 5 -13.379 1.263 1.387 1.00 0.00 C ATOM 81 O VAL A 5 -12.885 0.993 0.291 1.00 0.00 O ATOM 82 CB VAL A 5 -14.749 3.347 1.486 1.00 0.00 C ATOM 83 CG1 VAL A 5 -14.160 3.862 0.181 1.00 0.00 C ATOM 84 CG2 VAL A 5 -16.135 3.926 1.719 1.00 0.00 C ATOM 85 HA VAL A 5 -15.379 1.467 0.632 1.00 0.00 H ATOM 86 HB VAL A 5 -14.102 3.672 2.301 1.00 0.00 H ATOM 87 HG11 VAL A 5 -13.148 3.476 0.063 1.00 0.00 H ATOM 88 HG12 VAL A 5 -14.778 3.527 -0.652 1.00 0.00 H ATOM 89 HG13 VAL A 5 -14.134 4.952 0.200 1.00 0.00 H ATOM 90 HG21 VAL A 5 -16.805 3.591 0.927 1.00 0.00 H ATOM 91 HG22 VAL A 5 -16.512 3.586 2.684 1.00 0.00 H ATOM 92 HG23 VAL A 5 -16.078 5.015 1.713 1.00 0.00 H ATOM 93 H VAL A 5 -15.750 1.966 3.428 1.00 0.00 H ATOM 94 N ALA A 6 -12.729 1.103 2.533 1.00 0.00 N ATOM 95 CA ALA A 6 -11.367 0.590 2.571 1.00 0.00 C ATOM 96 C ALA A 6 -11.328 -0.880 2.188 1.00 0.00 C ATOM 97 O ALA A 6 -10.560 -1.287 1.317 1.00 0.00 O ATOM 98 CB ALA A 6 -10.760 0.798 3.949 1.00 0.00 C ATOM 99 HA ALA A 6 -10.775 1.144 1.843 1.00 0.00 H ATOM 100 HB1 ALA A 6 -10.745 1.863 4.181 1.00 0.00 H ATOM 101 HB2 ALA A 6 -11.359 0.271 4.692 1.00 0.00 H ATOM 102 HB3 ALA A 6 -9.742 0.409 3.959 1.00 0.00 H ATOM 103 H ALA A 6 -13.204 1.350 3.425 1.00 0.00 H ATOM 104 N ARG A 7 -12.169 -1.670 2.836 1.00 0.00 N ATOM 105 CA ARG A 7 -12.242 -3.096 2.553 1.00 0.00 C ATOM 106 C ARG A 7 -12.748 -3.326 1.137 1.00 0.00 C ATOM 107 O ARG A 7 -12.440 -4.341 0.512 1.00 0.00 O ATOM 108 CB ARG A 7 -13.153 -3.798 3.560 1.00 0.00 C ATOM 109 CG ARG A 7 -12.740 -5.232 3.859 1.00 0.00 C ATOM 110 CD ARG A 7 -12.441 -5.430 5.338 1.00 0.00 C ATOM 111 NE ARG A 7 -13.611 -5.901 6.074 1.00 0.00 N ATOM 112 CZ ARG A 7 -14.055 -7.155 6.040 1.00 0.00 C ATOM 113 NH1 ARG A 7 -13.431 -8.067 5.305 1.00 0.00 N ATOM 114 NH2 ARG A 7 -15.127 -7.497 6.740 1.00 0.00 N ATOM 115 HA ARG A 7 -11.240 -3.517 2.642 1.00 0.00 H ATOM 116 HB2 ARG A 7 -13.137 -3.233 4.492 1.00 0.00 H ATOM 117 HB3 ARG A 7 -14.167 -3.807 3.160 1.00 0.00 H ATOM 118 HG2 ARG A 7 -13.549 -5.902 3.568 1.00 0.00 H ATOM 119 HG3 ARG A 7 -11.847 -5.471 3.282 1.00 0.00 H ATOM 120 HD2 ARG A 7 -12.117 -4.480 5.762 1.00 0.00 H ATOM 121 HD3 ARG A 7 -11.641 -6.164 5.441 1.00 0.00 H ATOM 122 HE ARG A 7 -14.128 -5.215 6.660 1.00 0.00 H ATOM 123 HH12 ARG A 7 -13.782 -9.046 5.282 1.00 0.00 H ATOM 124 HH11 ARG A 7 -12.591 -7.803 4.752 1.00 0.00 H ATOM 125 HH22 ARG A 7 -15.474 -8.477 6.714 1.00 0.00 H ATOM 126 HH21 ARG A 7 -15.621 -6.785 7.316 1.00 0.00 H ATOM 127 H ARG A 7 -12.791 -1.263 3.563 1.00 0.00 H ATOM 128 N GLU A 8 -13.524 -2.371 0.630 1.00 0.00 N ATOM 129 CA GLU A 8 -14.064 -2.475 -0.716 1.00 0.00 C ATOM 130 C GLU A 8 -12.961 -2.301 -1.746 1.00 0.00 C ATOM 131 O GLU A 8 -12.841 -3.097 -2.677 1.00 0.00 O ATOM 132 CB GLU A 8 -15.169 -1.440 -0.936 1.00 0.00 C ATOM 133 CG GLU A 8 -16.566 -1.978 -0.678 1.00 0.00 C ATOM 134 CD GLU A 8 -16.897 -3.179 -1.542 1.00 0.00 C ATOM 135 OE1 GLU A 8 -16.978 -3.018 -2.779 1.00 0.00 O ATOM 136 OE2 GLU A 8 -17.075 -4.283 -0.983 1.00 0.00 O ATOM 137 HA GLU A 8 -14.496 -3.468 -0.836 1.00 0.00 H ATOM 138 HB2 GLU A 8 -14.993 -0.600 -0.264 1.00 0.00 H ATOM 139 HB3 GLU A 8 -15.118 -1.095 -1.969 1.00 0.00 H ATOM 140 HG2 GLU A 8 -16.640 -2.270 0.370 1.00 0.00 H ATOM 141 HG3 GLU A 8 -17.288 -1.189 -0.886 1.00 0.00 H ATOM 142 H GLU A 8 -13.748 -1.535 1.207 1.00 0.00 H ATOM 143 N PHE A 9 -12.144 -1.273 -1.568 1.00 0.00 N ATOM 144 CA PHE A 9 -11.042 -1.036 -2.484 1.00 0.00 C ATOM 145 C PHE A 9 -9.987 -2.114 -2.281 1.00 0.00 C ATOM 146 O PHE A 9 -9.477 -2.691 -3.242 1.00 0.00 O ATOM 147 CB PHE A 9 -10.469 0.381 -2.297 1.00 0.00 C ATOM 148 CG PHE A 9 -9.195 0.466 -1.501 1.00 0.00 C ATOM 149 CD1 PHE A 9 -8.024 -0.116 -1.963 1.00 0.00 C ATOM 150 CD2 PHE A 9 -9.168 1.147 -0.295 1.00 0.00 C ATOM 151 CE1 PHE A 9 -6.854 -0.024 -1.237 1.00 0.00 C ATOM 152 CE2 PHE A 9 -8.001 1.244 0.433 1.00 0.00 C ATOM 153 CZ PHE A 9 -6.844 0.658 -0.037 1.00 0.00 C ATOM 154 HA PHE A 9 -11.398 -1.093 -3.513 1.00 0.00 H ATOM 155 HB2 PHE A 9 -10.276 0.798 -3.285 1.00 0.00 H ATOM 156 HB3 PHE A 9 -11.223 0.984 -1.790 1.00 0.00 H ATOM 157 HD2 PHE A 9 -10.079 1.611 0.083 1.00 0.00 H ATOM 158 HE2 PHE A 9 -7.993 1.784 1.380 1.00 0.00 H ATOM 159 HZ PHE A 9 -5.922 0.734 0.539 1.00 0.00 H ATOM 160 HE1 PHE A 9 -5.941 -0.488 -1.610 1.00 0.00 H ATOM 161 HD1 PHE A 9 -8.028 -0.653 -2.912 1.00 0.00 H ATOM 162 H PHE A 9 -12.293 -0.630 -0.765 1.00 0.00 H ATOM 163 N ARG A 10 -9.688 -2.403 -1.016 1.00 0.00 N ATOM 164 CA ARG A 10 -8.722 -3.437 -0.679 1.00 0.00 C ATOM 165 C ARG A 10 -9.136 -4.757 -1.320 1.00 0.00 C ATOM 166 O ARG A 10 -8.308 -5.467 -1.897 1.00 0.00 O ATOM 167 CB ARG A 10 -8.623 -3.601 0.839 1.00 0.00 C ATOM 168 CG ARG A 10 -7.506 -4.535 1.279 1.00 0.00 C ATOM 169 CD ARG A 10 -8.018 -5.625 2.206 1.00 0.00 C ATOM 170 NE ARG A 10 -7.273 -6.872 2.047 1.00 0.00 N ATOM 171 CZ ARG A 10 -7.494 -7.750 1.071 1.00 0.00 C ATOM 172 NH1 ARG A 10 -8.444 -7.527 0.171 1.00 0.00 N ATOM 173 NH2 ARG A 10 -6.765 -8.855 0.996 1.00 0.00 N ATOM 174 HA ARG A 10 -7.744 -3.143 -1.061 1.00 0.00 H ATOM 175 HB2 ARG A 10 -8.447 -2.620 1.281 1.00 0.00 H ATOM 176 HB3 ARG A 10 -9.569 -3.999 1.205 1.00 0.00 H ATOM 177 HG2 ARG A 10 -7.065 -4.999 0.397 1.00 0.00 H ATOM 178 HG3 ARG A 10 -6.745 -3.955 1.801 1.00 0.00 H ATOM 179 HD2 ARG A 10 -9.069 -5.812 1.984 1.00 0.00 H ATOM 180 HD3 ARG A 10 -7.920 -5.285 3.237 1.00 0.00 H ATOM 181 HE ARG A 10 -6.525 -7.086 2.738 1.00 0.00 H ATOM 182 HH12 ARG A 10 -8.612 -8.216 -0.589 1.00 0.00 H ATOM 183 HH11 ARG A 10 -9.020 -6.663 0.226 1.00 0.00 H ATOM 184 HH22 ARG A 10 -6.937 -9.541 0.234 1.00 0.00 H ATOM 185 HH21 ARG A 10 -6.021 -9.036 1.700 1.00 0.00 H ATOM 186 H ARG A 10 -10.156 -1.877 -0.251 1.00 0.00 H ATOM 187 N HIS A 11 -10.428 -5.073 -1.233 1.00 0.00 N ATOM 188 CA HIS A 11 -10.950 -6.299 -1.826 1.00 0.00 C ATOM 189 C HIS A 11 -10.702 -6.296 -3.329 1.00 0.00 C ATOM 190 O HIS A 11 -10.324 -7.312 -3.913 1.00 0.00 O ATOM 191 CB HIS A 11 -12.445 -6.440 -1.539 1.00 0.00 C ATOM 192 CG HIS A 11 -12.742 -7.032 -0.197 1.00 0.00 C ATOM 193 ND1 HIS A 11 -13.886 -7.752 0.073 1.00 0.00 N ATOM 194 CD2 HIS A 11 -12.033 -7.009 0.956 1.00 0.00 C ATOM 195 CE1 HIS A 11 -13.868 -8.146 1.335 1.00 0.00 C ATOM 196 NE2 HIS A 11 -12.754 -7.708 1.892 1.00 0.00 N ATOM 197 HA HIS A 11 -10.432 -7.149 -1.382 1.00 0.00 H ATOM 198 HB2 HIS A 11 -12.901 -5.451 -1.589 1.00 0.00 H ATOM 199 HB3 HIS A 11 -12.885 -7.080 -2.304 1.00 0.00 H ATOM 200 HD2 HIS A 11 -11.069 -6.525 1.112 1.00 0.00 H ATOM 201 HE1 HIS A 11 -14.641 -8.733 1.831 1.00 0.00 H ATOM 202 H HIS A 11 -11.077 -4.433 -0.732 1.00 0.00 H ATOM 203 N LYS A 12 -10.907 -5.138 -3.944 1.00 0.00 N ATOM 204 CA LYS A 12 -10.695 -4.983 -5.378 1.00 0.00 C ATOM 205 C LYS A 12 -9.240 -5.265 -5.726 1.00 0.00 C ATOM 206 O LYS A 12 -8.941 -5.862 -6.760 1.00 0.00 O ATOM 207 CB LYS A 12 -11.079 -3.573 -5.828 1.00 0.00 C ATOM 208 CG LYS A 12 -12.579 -3.329 -5.859 1.00 0.00 C ATOM 209 CD LYS A 12 -12.901 -1.888 -6.221 1.00 0.00 C ATOM 210 CE LYS A 12 -13.196 -1.737 -7.705 1.00 0.00 C ATOM 211 NZ LYS A 12 -12.503 -0.557 -8.293 1.00 0.00 N ATOM 212 HA LYS A 12 -11.330 -5.699 -5.901 1.00 0.00 H ATOM 213 HB2 LYS A 12 -10.628 -2.857 -5.141 1.00 0.00 H ATOM 214 HB3 LYS A 12 -10.683 -3.412 -6.831 1.00 0.00 H ATOM 215 HG2 LYS A 12 -13.031 -3.990 -6.599 1.00 0.00 H ATOM 216 HG3 LYS A 12 -12.994 -3.549 -4.876 1.00 0.00 H ATOM 217 HD2 LYS A 12 -13.773 -1.566 -5.652 1.00 0.00 H ATOM 218 HD3 LYS A 12 -12.049 -1.259 -5.964 1.00 0.00 H ATOM 219 HE2 LYS A 12 -14.271 -1.618 -7.840 1.00 0.00 H ATOM 220 HE3 LYS A 12 -12.863 -2.636 -8.224 1.00 0.00 H ATOM 221 HZ1 LYS A 12 -12.820 0.307 -7.808 1.00 0.00 H ATOM 222 HZ2 LYS A 12 -11.475 -0.665 -8.174 1.00 0.00 H ATOM 223 HZ3 LYS A 12 -12.731 -0.491 -9.306 1.00 0.00 H ATOM 224 H LYS A 12 -11.227 -4.319 -3.388 1.00 0.00 H ATOM 225 N VAL A 13 -8.338 -4.841 -4.846 1.00 0.00 N ATOM 226 CA VAL A 13 -6.912 -5.056 -5.049 1.00 0.00 C ATOM 227 C VAL A 13 -6.608 -6.544 -5.141 1.00 0.00 C ATOM 228 O VAL A 13 -5.927 -6.994 -6.062 1.00 0.00 O ATOM 229 CB VAL A 13 -6.080 -4.436 -3.910 1.00 0.00 C ATOM 230 CG1 VAL A 13 -4.591 -4.602 -4.179 1.00 0.00 C ATOM 231 CG2 VAL A 13 -6.437 -2.969 -3.727 1.00 0.00 C ATOM 232 HA VAL A 13 -6.638 -4.567 -5.984 1.00 0.00 H ATOM 233 HB VAL A 13 -6.316 -4.963 -2.985 1.00 0.00 H ATOM 234 HG11 VAL A 13 -4.353 -5.663 -4.253 1.00 0.00 H ATOM 235 HG12 VAL A 13 -4.334 -4.105 -5.114 1.00 0.00 H ATOM 236 HG13 VAL A 13 -4.024 -4.157 -3.362 1.00 0.00 H ATOM 237 HG21 VAL A 13 -6.232 -2.428 -4.651 1.00 0.00 H ATOM 238 HG22 VAL A 13 -7.495 -2.882 -3.481 1.00 0.00 H ATOM 239 HG23 VAL A 13 -5.839 -2.549 -2.918 1.00 0.00 H ATOM 240 H VAL A 13 -8.659 -4.343 -3.991 1.00 0.00 H ATOM 241 N ASP A 14 -7.127 -7.308 -4.183 1.00 0.00 N ATOM 242 CA ASP A 14 -6.917 -8.751 -4.169 1.00 0.00 C ATOM 243 C ASP A 14 -7.424 -9.368 -5.465 1.00 0.00 C ATOM 244 O ASP A 14 -6.817 -10.293 -6.006 1.00 0.00 O ATOM 245 CB ASP A 14 -7.629 -9.382 -2.971 1.00 0.00 C ATOM 246 CG ASP A 14 -7.404 -10.879 -2.887 1.00 0.00 C ATOM 247 OD1 ASP A 14 -6.334 -11.344 -3.331 1.00 0.00 O ATOM 248 OD2 ASP A 14 -8.299 -11.586 -2.377 1.00 0.00 O ATOM 249 HA ASP A 14 -5.848 -8.946 -4.081 1.00 0.00 H ATOM 250 HB2 ASP A 14 -7.254 -8.920 -2.058 1.00 0.00 H ATOM 251 HB3 ASP A 14 -8.699 -9.193 -3.060 1.00 0.00 H ATOM 252 H ASP A 14 -7.693 -6.868 -3.430 1.00 0.00 H ATOM 253 N PHE A 15 -8.535 -8.837 -5.963 1.00 0.00 N ATOM 254 CA PHE A 15 -9.126 -9.319 -7.205 1.00 0.00 C ATOM 255 C PHE A 15 -8.239 -8.967 -8.397 1.00 0.00 C ATOM 256 O PHE A 15 -8.115 -9.744 -9.342 1.00 0.00 O ATOM 257 CB PHE A 15 -10.523 -8.719 -7.391 1.00 0.00 C ATOM 258 CG PHE A 15 -11.149 -9.037 -8.721 1.00 0.00 C ATOM 259 CD1 PHE A 15 -11.669 -10.296 -8.975 1.00 0.00 C ATOM 260 CD2 PHE A 15 -11.218 -8.074 -9.715 1.00 0.00 C ATOM 261 CE1 PHE A 15 -12.244 -10.589 -10.197 1.00 0.00 C ATOM 262 CE2 PHE A 15 -11.792 -8.362 -10.938 1.00 0.00 C ATOM 263 CZ PHE A 15 -12.306 -9.620 -11.179 1.00 0.00 C ATOM 264 HA PHE A 15 -9.211 -10.404 -7.148 1.00 0.00 H ATOM 265 HB2 PHE A 15 -11.171 -9.106 -6.605 1.00 0.00 H ATOM 266 HB3 PHE A 15 -10.447 -7.636 -7.297 1.00 0.00 H ATOM 267 HD2 PHE A 15 -10.815 -7.078 -9.530 1.00 0.00 H ATOM 268 HE2 PHE A 15 -11.839 -7.596 -11.712 1.00 0.00 H ATOM 269 HZ PHE A 15 -12.760 -9.848 -12.143 1.00 0.00 H ATOM 270 HE1 PHE A 15 -12.648 -11.584 -10.386 1.00 0.00 H ATOM 271 HD1 PHE A 15 -11.624 -11.064 -8.203 1.00 0.00 H ATOM 272 H PHE A 15 -8.996 -8.056 -5.453 1.00 0.00 H ATOM 273 N LEU A 16 -7.628 -7.788 -8.343 1.00 0.00 N ATOM 274 CA LEU A 16 -6.755 -7.328 -9.418 1.00 0.00 C ATOM 275 C LEU A 16 -5.284 -7.590 -9.097 1.00 0.00 C ATOM 276 O LEU A 16 -4.395 -7.124 -9.810 1.00 0.00 O ATOM 277 CB LEU A 16 -6.971 -5.836 -9.674 1.00 0.00 C ATOM 278 CG LEU A 16 -8.432 -5.385 -9.695 1.00 0.00 C ATOM 279 CD1 LEU A 16 -8.547 -3.928 -9.274 1.00 0.00 C ATOM 280 CD2 LEU A 16 -9.033 -5.594 -11.078 1.00 0.00 C ATOM 281 HA LEU A 16 -7.012 -7.891 -10.315 1.00 0.00 H ATOM 282 HB2 LEU A 16 -6.457 -5.281 -8.889 1.00 0.00 H ATOM 283 HB3 LEU A 16 -6.528 -5.591 -10.639 1.00 0.00 H ATOM 284 HG LEU A 16 -8.991 -5.991 -8.982 1.00 0.00 H ATOM 285 HD21 LEU A 16 -8.471 -5.012 -11.809 1.00 0.00 H ATOM 286 HD22 LEU A 16 -8.984 -6.651 -11.338 1.00 0.00 H ATOM 287 HD23 LEU A 16 -10.073 -5.268 -11.074 1.00 0.00 H ATOM 288 HD11 LEU A 16 -8.155 -3.811 -8.264 1.00 0.00 H ATOM 289 HD12 LEU A 16 -7.974 -3.306 -9.962 1.00 0.00 H ATOM 290 HD13 LEU A 16 -9.594 -3.626 -9.296 1.00 0.00 H ATOM 291 H LEU A 16 -7.776 -7.178 -7.514 1.00 0.00 H ATOM 292 N ILE A 17 -5.027 -8.336 -8.025 1.00 0.00 N ATOM 293 CA ILE A 17 -3.682 -8.656 -7.622 1.00 0.00 C ATOM 294 C ILE A 17 -3.652 -10.011 -6.926 1.00 0.00 C ATOM 295 O ILE A 17 -3.435 -10.114 -5.719 1.00 0.00 O ATOM 296 CB ILE A 17 -3.107 -7.595 -6.680 1.00 0.00 C ATOM 297 CG1 ILE A 17 -2.974 -6.248 -7.397 1.00 0.00 C ATOM 298 CG2 ILE A 17 -1.767 -8.068 -6.171 1.00 0.00 C ATOM 299 CD1 ILE A 17 -1.979 -6.263 -8.536 1.00 0.00 C ATOM 300 HA ILE A 17 -3.069 -8.685 -8.523 1.00 0.00 H ATOM 301 HB ILE A 17 -3.783 -7.452 -5.837 1.00 0.00 H ATOM 302 HG12 ILE A 17 -3.950 -5.972 -7.796 1.00 0.00 H ATOM 303 HG13 ILE A 17 -2.655 -5.501 -6.670 1.00 0.00 H ATOM 304 HD11 ILE A 17 -0.993 -6.527 -8.152 1.00 0.00 H ATOM 305 HD12 ILE A 17 -2.290 -6.998 -9.279 1.00 0.00 H ATOM 306 HD13 ILE A 17 -1.939 -5.275 -8.995 1.00 0.00 H ATOM 307 HG21 ILE A 17 -1.895 -9.008 -5.634 1.00 0.00 H ATOM 308 HG22 ILE A 17 -1.092 -8.218 -7.014 1.00 0.00 H ATOM 309 HG23 ILE A 17 -1.350 -7.318 -5.499 1.00 0.00 H ATOM 310 H ILE A 17 -5.822 -8.699 -7.461 1.00 0.00 H ATOM 311 N GLU A 18 -3.880 -11.043 -7.710 1.00 0.00 N ATOM 312 CA GLU A 18 -3.891 -12.413 -7.208 1.00 0.00 C ATOM 313 C GLU A 18 -2.556 -12.763 -6.560 1.00 0.00 C ATOM 314 O GLU A 18 -2.507 -13.482 -5.561 1.00 0.00 O ATOM 315 CB GLU A 18 -4.194 -13.393 -8.342 1.00 0.00 C ATOM 316 CG GLU A 18 -4.268 -14.842 -7.892 1.00 0.00 C ATOM 317 CD GLU A 18 -5.430 -15.589 -8.517 1.00 0.00 C ATOM 318 OE1 GLU A 18 -5.263 -16.120 -9.634 1.00 0.00 O ATOM 319 OE2 GLU A 18 -6.508 -15.644 -7.887 1.00 0.00 O ATOM 320 HA GLU A 18 -4.674 -12.491 -6.453 1.00 0.00 H ATOM 321 HB2 GLU A 18 -5.151 -13.121 -8.786 1.00 0.00 H ATOM 322 HB3 GLU A 18 -3.409 -13.305 -9.093 1.00 0.00 H ATOM 323 HG2 GLU A 18 -3.341 -15.342 -8.171 1.00 0.00 H ATOM 324 HG3 GLU A 18 -4.380 -14.866 -6.808 1.00 0.00 H ATOM 325 H GLU A 18 -4.058 -10.877 -8.721 1.00 0.00 H ATOM 326 N ASN A 19 -1.475 -12.247 -7.134 1.00 0.00 N ATOM 327 CA ASN A 19 -0.139 -12.501 -6.611 1.00 0.00 C ATOM 328 C ASN A 19 0.013 -11.915 -5.211 1.00 0.00 C ATOM 329 O ASN A 19 -0.755 -11.041 -4.808 1.00 0.00 O ATOM 330 CB ASN A 19 0.920 -11.908 -7.547 1.00 0.00 C ATOM 331 CG ASN A 19 1.699 -12.976 -8.290 1.00 0.00 C ATOM 332 OD1 ASN A 19 1.135 -13.736 -9.077 1.00 0.00 O ATOM 333 ND2 ASN A 19 3.002 -13.038 -8.043 1.00 0.00 N ATOM 334 HA ASN A 19 0.005 -13.580 -6.552 1.00 0.00 H ATOM 335 HB2 ASN A 19 0.424 -11.266 -8.275 1.00 0.00 H ATOM 336 HB3 ASN A 19 1.617 -11.314 -6.956 1.00 0.00 H ATOM 337 HD22 ASN A 19 3.436 -12.375 -7.370 1.00 0.00 H ATOM 338 HD21 ASN A 19 3.589 -13.750 -8.523 1.00 0.00 H ATOM 339 H ASN A 19 -1.585 -11.647 -7.977 1.00 0.00 H ATOM 340 N ASP A 20 1.005 -12.400 -4.475 1.00 0.00 N ATOM 341 CA ASP A 20 1.253 -11.922 -3.120 1.00 0.00 C ATOM 342 C ASP A 20 2.323 -10.834 -3.112 1.00 0.00 C ATOM 343 O ASP A 20 2.318 -9.952 -2.253 1.00 0.00 O ATOM 344 CB ASP A 20 1.680 -13.082 -2.218 1.00 0.00 C ATOM 345 CG ASP A 20 1.033 -13.017 -0.848 1.00 0.00 C ATOM 346 OD1 ASP A 20 -0.182 -13.290 -0.752 1.00 0.00 O ATOM 347 OD2 ASP A 20 1.740 -12.691 0.128 1.00 0.00 O ATOM 348 HA ASP A 20 0.326 -11.495 -2.737 1.00 0.00 H ATOM 349 HB2 ASP A 20 1.396 -14.020 -2.695 1.00 0.00 H ATOM 350 HB3 ASP A 20 2.763 -13.051 -2.096 1.00 0.00 H ATOM 351 H ASP A 20 1.620 -13.138 -4.874 1.00 0.00 H ATOM 352 N ALA A 21 3.240 -10.903 -4.072 1.00 0.00 N ATOM 353 CA ALA A 21 4.314 -9.922 -4.169 1.00 0.00 C ATOM 354 C ALA A 21 3.758 -8.526 -4.381 1.00 0.00 C ATOM 355 O ALA A 21 4.067 -7.602 -3.627 1.00 0.00 O ATOM 356 CB ALA A 21 5.269 -10.290 -5.291 1.00 0.00 C ATOM 357 HA ALA A 21 4.864 -9.927 -3.228 1.00 0.00 H ATOM 358 HB1 ALA A 21 5.701 -11.271 -5.092 1.00 0.00 H ATOM 359 HB2 ALA A 21 4.725 -10.316 -6.235 1.00 0.00 H ATOM 360 HB3 ALA A 21 6.064 -9.546 -5.348 1.00 0.00 H ATOM 361 H ALA A 21 3.190 -11.673 -4.769 1.00 0.00 H ATOM 362 N GLU A 22 2.922 -8.377 -5.398 1.00 0.00 N ATOM 363 CA GLU A 22 2.308 -7.091 -5.689 1.00 0.00 C ATOM 364 C GLU A 22 1.676 -6.536 -4.422 1.00 0.00 C ATOM 365 O GLU A 22 1.688 -5.330 -4.175 1.00 0.00 O ATOM 366 CB GLU A 22 1.255 -7.233 -6.789 1.00 0.00 C ATOM 367 CG GLU A 22 1.846 -7.267 -8.188 1.00 0.00 C ATOM 368 CD GLU A 22 1.101 -8.211 -9.113 1.00 0.00 C ATOM 369 OE1 GLU A 22 -0.134 -8.325 -8.975 1.00 0.00 O ATOM 370 OE2 GLU A 22 1.754 -8.836 -9.975 1.00 0.00 O ATOM 371 HA GLU A 22 3.075 -6.402 -6.042 1.00 0.00 H ATOM 372 HB2 GLU A 22 0.704 -8.159 -6.623 1.00 0.00 H ATOM 373 HB3 GLU A 22 0.570 -6.388 -6.723 1.00 0.00 H ATOM 374 HG2 GLU A 22 1.807 -6.262 -8.609 1.00 0.00 H ATOM 375 HG3 GLU A 22 2.885 -7.591 -8.121 1.00 0.00 H ATOM 376 H GLU A 22 2.700 -9.196 -6.000 1.00 0.00 H ATOM 377 N LYS A 23 1.148 -7.444 -3.606 1.00 0.00 N ATOM 378 CA LYS A 23 0.535 -7.071 -2.342 1.00 0.00 C ATOM 379 C LYS A 23 1.613 -6.687 -1.336 1.00 0.00 C ATOM 380 O LYS A 23 1.421 -5.789 -0.517 1.00 0.00 O ATOM 381 CB LYS A 23 -0.310 -8.224 -1.798 1.00 0.00 C ATOM 382 CG LYS A 23 -1.303 -8.777 -2.806 1.00 0.00 C ATOM 383 CD LYS A 23 -2.080 -9.951 -2.235 1.00 0.00 C ATOM 384 CE LYS A 23 -3.527 -9.940 -2.699 1.00 0.00 C ATOM 385 NZ LYS A 23 -4.454 -9.513 -1.614 1.00 0.00 N ATOM 386 HA LYS A 23 -0.117 -6.213 -2.507 1.00 0.00 H ATOM 387 HB2 LYS A 23 0.359 -9.029 -1.495 1.00 0.00 H ATOM 388 HB3 LYS A 23 -0.863 -7.867 -0.929 1.00 0.00 H ATOM 389 HG2 LYS A 23 -2.004 -7.989 -3.083 1.00 0.00 H ATOM 390 HG3 LYS A 23 -0.762 -9.108 -3.692 1.00 0.00 H ATOM 391 HD2 LYS A 23 -1.610 -10.879 -2.561 1.00 0.00 H ATOM 392 HD3 LYS A 23 -2.056 -9.896 -1.147 1.00 0.00 H ATOM 393 HE2 LYS A 23 -3.801 -10.944 -3.023 1.00 0.00 H ATOM 394 HE3 LYS A 23 -3.623 -9.250 -3.537 1.00 0.00 H ATOM 395 HZ1 LYS A 23 -4.373 -10.170 -0.812 1.00 0.00 H ATOM 396 HZ2 LYS A 23 -4.203 -8.553 -1.303 1.00 0.00 H ATOM 397 HZ3 LYS A 23 -5.431 -9.519 -1.972 1.00 0.00 H ATOM 398 H LYS A 23 1.174 -8.447 -3.880 1.00 0.00 H ATOM 399 N ASP A 24 2.757 -7.367 -1.414 1.00 0.00 N ATOM 400 CA ASP A 24 3.871 -7.084 -0.519 1.00 0.00 C ATOM 401 C ASP A 24 4.412 -5.685 -0.781 1.00 0.00 C ATOM 402 O ASP A 24 4.682 -4.925 0.151 1.00 0.00 O ATOM 403 CB ASP A 24 4.980 -8.121 -0.703 1.00 0.00 C ATOM 404 CG ASP A 24 5.934 -8.164 0.475 1.00 0.00 C ATOM 405 OD1 ASP A 24 6.722 -7.208 0.638 1.00 0.00 O ATOM 406 OD2 ASP A 24 5.894 -9.155 1.235 1.00 0.00 O ATOM 407 HA ASP A 24 3.513 -7.137 0.509 1.00 0.00 H ATOM 408 HB2 ASP A 24 4.524 -9.104 -0.820 1.00 0.00 H ATOM 409 HB3 ASP A 24 5.545 -7.874 -1.602 1.00 0.00 H ATOM 410 H ASP A 24 2.856 -8.116 -2.129 1.00 0.00 H ATOM 411 N TYR A 25 4.556 -5.345 -2.060 1.00 0.00 N ATOM 412 CA TYR A 25 5.050 -4.031 -2.446 1.00 0.00 C ATOM 413 C TYR A 25 4.071 -2.951 -2.006 1.00 0.00 C ATOM 414 O TYR A 25 4.472 -1.896 -1.515 1.00 0.00 O ATOM 415 CB TYR A 25 5.261 -3.965 -3.959 1.00 0.00 C ATOM 416 CG TYR A 25 6.218 -2.877 -4.393 1.00 0.00 C ATOM 417 CD1 TYR A 25 5.850 -1.540 -4.337 1.00 0.00 C ATOM 418 CD2 TYR A 25 7.489 -3.190 -4.859 1.00 0.00 C ATOM 419 CE1 TYR A 25 6.722 -0.543 -4.733 1.00 0.00 C ATOM 420 CE2 TYR A 25 8.366 -2.199 -5.257 1.00 0.00 C ATOM 421 CZ TYR A 25 7.978 -0.877 -5.193 1.00 0.00 C ATOM 422 OH TYR A 25 8.848 0.111 -5.587 1.00 0.00 O ATOM 423 HA TYR A 25 6.007 -3.861 -1.953 1.00 0.00 H ATOM 424 HB3 TYR A 25 4.296 -3.785 -4.434 1.00 0.00 H ATOM 425 HB2 TYR A 25 5.656 -4.924 -4.294 1.00 0.00 H ATOM 426 HD2 TYR A 25 7.799 -4.234 -4.911 1.00 0.00 H ATOM 427 HE2 TYR A 25 9.360 -2.461 -5.620 1.00 0.00 H ATOM 428 HE1 TYR A 25 6.418 0.502 -4.682 1.00 0.00 H ATOM 429 HD1 TYR A 25 4.858 -1.272 -3.975 1.00 0.00 H ATOM 430 HH TYR A 25 8.414 0.994 -5.478 1.00 0.00 H ATOM 431 H TYR A 25 4.310 -6.033 -2.800 1.00 0.00 H ATOM 432 N LEU A 26 2.783 -3.229 -2.179 1.00 0.00 N ATOM 433 CA LEU A 26 1.737 -2.290 -1.794 1.00 0.00 C ATOM 434 C LEU A 26 1.759 -2.060 -0.286 1.00 0.00 C ATOM 435 O LEU A 26 1.579 -0.936 0.183 1.00 0.00 O ATOM 436 CB LEU A 26 0.366 -2.813 -2.228 1.00 0.00 C ATOM 437 CG LEU A 26 -0.565 -1.762 -2.833 1.00 0.00 C ATOM 438 CD1 LEU A 26 -1.814 -2.419 -3.403 1.00 0.00 C ATOM 439 CD2 LEU A 26 -0.939 -0.718 -1.790 1.00 0.00 C ATOM 440 HA LEU A 26 1.923 -1.340 -2.295 1.00 0.00 H ATOM 441 HB2 LEU A 26 0.522 -3.595 -2.971 1.00 0.00 H ATOM 442 HB3 LEU A 26 -0.126 -3.238 -1.353 1.00 0.00 H ATOM 443 HG LEU A 26 -0.038 -1.263 -3.646 1.00 0.00 H ATOM 444 HD21 LEU A 26 -1.447 -1.204 -0.957 1.00 0.00 H ATOM 445 HD22 LEU A 26 -0.035 -0.226 -1.430 1.00 0.00 H ATOM 446 HD23 LEU A 26 -1.602 0.021 -2.239 1.00 0.00 H ATOM 447 HD11 LEU A 26 -1.528 -3.128 -4.180 1.00 0.00 H ATOM 448 HD12 LEU A 26 -2.342 -2.944 -2.607 1.00 0.00 H ATOM 449 HD13 LEU A 26 -2.463 -1.654 -3.829 1.00 0.00 H ATOM 450 H LEU A 26 2.514 -4.141 -2.600 1.00 0.00 H ATOM 451 N TYR A 27 1.987 -3.133 0.467 1.00 0.00 N ATOM 452 CA TYR A 27 2.040 -3.046 1.921 1.00 0.00 C ATOM 453 C TYR A 27 3.150 -2.102 2.358 1.00 0.00 C ATOM 454 O TYR A 27 2.963 -1.274 3.250 1.00 0.00 O ATOM 455 CB TYR A 27 2.260 -4.433 2.533 1.00 0.00 C ATOM 456 CG TYR A 27 1.182 -5.437 2.187 1.00 0.00 C ATOM 457 CD1 TYR A 27 -0.135 -5.036 1.989 1.00 0.00 C ATOM 458 CD2 TYR A 27 1.482 -6.787 2.063 1.00 0.00 C ATOM 459 CE1 TYR A 27 -1.119 -5.954 1.675 1.00 0.00 C ATOM 460 CE2 TYR A 27 0.502 -7.710 1.749 1.00 0.00 C ATOM 461 CZ TYR A 27 -0.797 -7.289 1.557 1.00 0.00 C ATOM 462 OH TYR A 27 -1.776 -8.205 1.245 1.00 0.00 O ATOM 463 HA TYR A 27 1.087 -2.654 2.275 1.00 0.00 H ATOM 464 HB3 TYR A 27 2.295 -4.328 3.617 1.00 0.00 H ATOM 465 HB2 TYR A 27 3.215 -4.818 2.175 1.00 0.00 H ATOM 466 HD2 TYR A 27 2.507 -7.125 2.216 1.00 0.00 H ATOM 467 HE2 TYR A 27 0.755 -8.766 1.654 1.00 0.00 H ATOM 468 HE1 TYR A 27 -2.146 -5.624 1.521 1.00 0.00 H ATOM 469 HD1 TYR A 27 -0.395 -3.982 2.083 1.00 0.00 H ATOM 470 HH TYR A 27 -2.643 -7.738 1.142 1.00 0.00 H ATOM 471 H TYR A 27 2.131 -4.055 0.008 1.00 0.00 H ATOM 472 N ASP A 28 4.306 -2.229 1.719 1.00 0.00 N ATOM 473 CA ASP A 28 5.450 -1.383 2.035 1.00 0.00 C ATOM 474 C ASP A 28 5.147 0.072 1.698 1.00 0.00 C ATOM 475 O ASP A 28 5.597 0.988 2.386 1.00 0.00 O ATOM 476 CB ASP A 28 6.686 -1.851 1.265 1.00 0.00 C ATOM 477 CG ASP A 28 7.417 -2.975 1.973 1.00 0.00 C ATOM 478 OD1 ASP A 28 7.925 -2.741 3.090 1.00 0.00 O ATOM 479 OD2 ASP A 28 7.482 -4.088 1.411 1.00 0.00 O ATOM 480 HA ASP A 28 5.649 -1.461 3.104 1.00 0.00 H ATOM 481 HB2 ASP A 28 6.374 -2.201 0.281 1.00 0.00 H ATOM 482 HB3 ASP A 28 7.367 -1.008 1.150 1.00 0.00 H ATOM 483 H ASP A 28 4.398 -2.950 0.975 1.00 0.00 H ATOM 484 N VAL A 29 4.374 0.278 0.636 1.00 0.00 N ATOM 485 CA VAL A 29 4.003 1.621 0.209 1.00 0.00 C ATOM 486 C VAL A 29 3.079 2.275 1.226 1.00 0.00 C ATOM 487 O VAL A 29 3.241 3.447 1.569 1.00 0.00 O ATOM 488 CB VAL A 29 3.304 1.604 -1.164 1.00 0.00 C ATOM 489 CG1 VAL A 29 3.137 3.018 -1.698 1.00 0.00 C ATOM 490 CG2 VAL A 29 4.077 0.741 -2.152 1.00 0.00 C ATOM 491 HA VAL A 29 4.925 2.196 0.129 1.00 0.00 H ATOM 492 HB VAL A 29 2.313 1.169 -1.037 1.00 0.00 H ATOM 493 HG11 VAL A 29 2.533 3.599 -1.001 1.00 0.00 H ATOM 494 HG12 VAL A 29 4.117 3.482 -1.806 1.00 0.00 H ATOM 495 HG13 VAL A 29 2.641 2.982 -2.668 1.00 0.00 H ATOM 496 HG21 VAL A 29 5.083 1.142 -2.274 1.00 0.00 H ATOM 497 HG22 VAL A 29 4.135 -0.279 -1.773 1.00 0.00 H ATOM 498 HG23 VAL A 29 3.564 0.744 -3.114 1.00 0.00 H ATOM 499 H VAL A 29 4.025 -0.540 0.096 1.00 0.00 H ATOM 500 N LEU A 30 2.113 1.506 1.710 1.00 0.00 N ATOM 501 CA LEU A 30 1.161 2.001 2.696 1.00 0.00 C ATOM 502 C LEU A 30 1.863 2.308 4.013 1.00 0.00 C ATOM 503 O LEU A 30 1.600 3.330 4.647 1.00 0.00 O ATOM 504 CB LEU A 30 0.047 0.978 2.924 1.00 0.00 C ATOM 505 CG LEU A 30 -0.985 0.882 1.801 1.00 0.00 C ATOM 506 CD1 LEU A 30 -1.630 -0.494 1.785 1.00 0.00 C ATOM 507 CD2 LEU A 30 -2.042 1.967 1.957 1.00 0.00 C ATOM 508 HA LEU A 30 0.721 2.921 2.312 1.00 0.00 H ATOM 509 HB2 LEU A 30 0.508 -0.002 3.044 1.00 0.00 H ATOM 510 HB3 LEU A 30 -0.476 1.247 3.842 1.00 0.00 H ATOM 511 HG LEU A 30 -0.475 1.032 0.849 1.00 0.00 H ATOM 512 HD21 LEU A 30 -2.547 1.845 2.915 1.00 0.00 H ATOM 513 HD22 LEU A 30 -1.564 2.946 1.918 1.00 0.00 H ATOM 514 HD23 LEU A 30 -2.769 1.884 1.149 1.00 0.00 H ATOM 515 HD11 LEU A 30 -0.863 -1.252 1.627 1.00 0.00 H ATOM 516 HD12 LEU A 30 -2.127 -0.672 2.739 1.00 0.00 H ATOM 517 HD13 LEU A 30 -2.362 -0.542 0.978 1.00 0.00 H ATOM 518 H LEU A 30 2.033 0.524 1.377 1.00 0.00 H ATOM 519 N ARG A 31 2.763 1.418 4.416 1.00 0.00 N ATOM 520 CA ARG A 31 3.509 1.596 5.654 1.00 0.00 C ATOM 521 C ARG A 31 4.402 2.827 5.570 1.00 0.00 C ATOM 522 O ARG A 31 4.632 3.511 6.567 1.00 0.00 O ATOM 523 CB ARG A 31 4.353 0.355 5.952 1.00 0.00 C ATOM 524 CG ARG A 31 4.671 0.175 7.428 1.00 0.00 C ATOM 525 CD ARG A 31 4.485 -1.269 7.872 1.00 0.00 C ATOM 526 NE ARG A 31 5.756 -1.906 8.205 1.00 0.00 N ATOM 527 CZ ARG A 31 5.923 -3.224 8.297 1.00 0.00 C ATOM 528 NH1 ARG A 31 4.903 -4.046 8.079 1.00 0.00 N ATOM 529 NH2 ARG A 31 7.112 -3.720 8.607 1.00 0.00 N ATOM 530 HA ARG A 31 2.795 1.739 6.465 1.00 0.00 H ATOM 531 HB2 ARG A 31 3.808 -0.524 5.607 1.00 0.00 H ATOM 532 HB3 ARG A 31 5.292 0.437 5.404 1.00 0.00 H ATOM 533 HG2 ARG A 31 5.706 0.469 7.605 1.00 0.00 H ATOM 534 HG3 ARG A 31 4.008 0.813 8.013 1.00 0.00 H ATOM 535 HD2 ARG A 31 4.012 -1.828 7.065 1.00 0.00 H ATOM 536 HD3 ARG A 31 3.841 -1.287 8.751 1.00 0.00 H ATOM 537 HE ARG A 31 6.579 -1.295 8.381 1.00 0.00 H ATOM 538 HH12 ARG A 31 5.039 -5.074 8.152 1.00 0.00 H ATOM 539 HH11 ARG A 31 3.968 -3.661 7.835 1.00 0.00 H ATOM 540 HH22 ARG A 31 7.243 -4.749 8.679 1.00 0.00 H ATOM 541 HH21 ARG A 31 7.914 -3.080 8.778 1.00 0.00 H ATOM 542 H ARG A 31 2.939 0.574 3.834 1.00 0.00 H ATOM 543 N MET A 32 4.898 3.107 4.368 1.00 0.00 N ATOM 544 CA MET A 32 5.758 4.261 4.150 1.00 0.00 C ATOM 545 C MET A 32 4.979 5.555 4.354 1.00 0.00 C ATOM 546 O MET A 32 5.438 6.466 5.037 1.00 0.00 O ATOM 547 CB MET A 32 6.353 4.225 2.741 1.00 0.00 C ATOM 548 CG MET A 32 7.565 3.314 2.614 1.00 0.00 C ATOM 549 SD MET A 32 9.010 3.958 3.479 1.00 0.00 S ATOM 550 CE MET A 32 9.489 5.295 2.388 1.00 0.00 C ATOM 551 HA MET A 32 6.570 4.224 4.876 1.00 0.00 H ATOM 552 HB2 MET A 32 5.585 3.875 2.051 1.00 0.00 H ATOM 553 HB3 MET A 32 6.652 5.237 2.467 1.00 0.00 H ATOM 554 HG2 MET A 32 7.810 3.204 1.558 1.00 0.00 H ATOM 555 HG3 MET A 32 7.314 2.339 3.031 1.00 0.00 H ATOM 556 HE1 MET A 32 9.715 4.893 1.400 1.00 0.00 H ATOM 557 HE2 MET A 32 8.671 6.011 2.312 1.00 0.00 H ATOM 558 HE3 MET A 32 10.372 5.792 2.790 1.00 0.00 H ATOM 559 H MET A 32 4.666 2.487 3.566 1.00 0.00 H ATOM 560 N TYR A 33 3.793 5.625 3.757 1.00 0.00 N ATOM 561 CA TYR A 33 2.947 6.805 3.879 1.00 0.00 C ATOM 562 C TYR A 33 2.601 7.082 5.338 1.00 0.00 C ATOM 563 O TYR A 33 2.586 8.229 5.774 1.00 0.00 O ATOM 564 CB TYR A 33 1.664 6.619 3.069 1.00 0.00 C ATOM 565 CG TYR A 33 0.729 7.808 3.127 1.00 0.00 C ATOM 566 CD1 TYR A 33 1.220 9.105 3.068 1.00 0.00 C ATOM 567 CD2 TYR A 33 -0.646 7.631 3.244 1.00 0.00 C ATOM 568 CE1 TYR A 33 0.370 10.194 3.125 1.00 0.00 C ATOM 569 CE2 TYR A 33 -1.501 8.714 3.299 1.00 0.00 C ATOM 570 CZ TYR A 33 -0.988 9.992 3.239 1.00 0.00 C ATOM 571 OH TYR A 33 -1.838 11.073 3.294 1.00 0.00 O ATOM 572 HA TYR A 33 3.500 7.659 3.488 1.00 0.00 H ATOM 573 HB3 TYR A 33 1.136 5.747 3.455 1.00 0.00 H ATOM 574 HB2 TYR A 33 1.936 6.446 2.028 1.00 0.00 H ATOM 575 HD2 TYR A 33 -1.055 6.622 3.293 1.00 0.00 H ATOM 576 HE2 TYR A 33 -2.576 8.559 3.389 1.00 0.00 H ATOM 577 HE1 TYR A 33 0.772 11.206 3.080 1.00 0.00 H ATOM 578 HD1 TYR A 33 2.294 9.268 2.975 1.00 0.00 H ATOM 579 HH TYR A 33 -1.311 11.909 3.239 1.00 0.00 H ATOM 580 H TYR A 33 3.461 4.819 3.190 1.00 0.00 H ATOM 581 N HIS A 34 2.316 6.021 6.085 1.00 0.00 N ATOM 582 CA HIS A 34 1.963 6.157 7.494 1.00 0.00 C ATOM 583 C HIS A 34 3.153 6.630 8.321 1.00 0.00 C ATOM 584 O HIS A 34 3.015 7.491 9.189 1.00 0.00 O ATOM 585 CB HIS A 34 1.446 4.825 8.040 1.00 0.00 C ATOM 586 CG HIS A 34 0.434 4.977 9.133 1.00 0.00 C ATOM 587 ND1 HIS A 34 0.745 4.858 10.471 1.00 0.00 N ATOM 588 CD2 HIS A 34 -0.894 5.242 9.079 1.00 0.00 C ATOM 589 CE1 HIS A 34 -0.346 5.040 11.193 1.00 0.00 C ATOM 590 NE2 HIS A 34 -1.354 5.277 10.372 1.00 0.00 N ATOM 591 HA HIS A 34 1.177 6.908 7.570 1.00 0.00 H ATOM 592 HB2 HIS A 34 0.988 4.271 7.221 1.00 0.00 H ATOM 593 HB3 HIS A 34 2.293 4.260 8.430 1.00 0.00 H ATOM 594 HD2 HIS A 34 -1.486 5.398 8.177 1.00 0.00 H ATOM 595 HE1 HIS A 34 -0.405 5.001 12.281 1.00 0.00 H ATOM 596 H HIS A 34 2.345 5.074 5.656 1.00 0.00 H ATOM 597 N GLN A 35 4.317 6.054 8.056 1.00 0.00 N ATOM 598 CA GLN A 35 5.531 6.408 8.785 1.00 0.00 C ATOM 599 C GLN A 35 6.117 7.737 8.306 1.00 0.00 C ATOM 600 O GLN A 35 6.429 8.613 9.113 1.00 0.00 O ATOM 601 CB GLN A 35 6.576 5.299 8.644 1.00 0.00 C ATOM 602 CG GLN A 35 7.092 5.122 7.227 1.00 0.00 C ATOM 603 CD GLN A 35 7.934 3.872 7.064 1.00 0.00 C ATOM 604 OE1 GLN A 35 7.430 2.817 6.679 1.00 0.00 O ATOM 605 NE2 GLN A 35 9.225 3.983 7.358 1.00 0.00 N ATOM 606 HA GLN A 35 5.259 6.522 9.834 1.00 0.00 H ATOM 607 HB2 GLN A 35 7.420 5.537 9.291 1.00 0.00 H ATOM 608 HB3 GLN A 35 6.127 4.360 8.967 1.00 0.00 H ATOM 609 HG2 GLN A 35 6.240 5.060 6.550 1.00 0.00 H ATOM 610 HG3 GLN A 35 7.699 5.989 6.966 1.00 0.00 H ATOM 611 HE22 GLN A 35 9.608 4.895 7.680 1.00 0.00 H ATOM 612 HE21 GLN A 35 9.852 3.158 7.266 1.00 0.00 H ATOM 613 H GLN A 35 4.367 5.331 7.310 1.00 0.00 H ATOM 614 N THR A 36 6.278 7.877 6.993 1.00 0.00 N ATOM 615 CA THR A 36 6.843 9.085 6.412 1.00 0.00 C ATOM 616 C THR A 36 5.823 10.219 6.355 1.00 0.00 C ATOM 617 O THR A 36 6.187 11.393 6.432 1.00 0.00 O ATOM 618 CB THR A 36 7.361 8.786 5.008 1.00 0.00 C ATOM 619 OG1 THR A 36 6.287 8.606 4.102 1.00 0.00 O ATOM 620 CG2 THR A 36 8.230 7.549 4.941 1.00 0.00 C ATOM 621 HA THR A 36 7.664 9.410 7.051 1.00 0.00 H ATOM 622 HB THR A 36 7.966 9.651 4.735 1.00 0.00 H ATOM 623 HG1 THR A 36 5.726 7.848 4.403 1.00 0.00 H ATOM 624 HG23 THR A 36 9.068 7.658 5.629 1.00 0.00 H ATOM 625 HG21 THR A 36 7.640 6.676 5.220 1.00 0.00 H ATOM 626 HG22 THR A 36 8.606 7.425 3.925 1.00 0.00 H ATOM 627 H THR A 36 5.992 7.100 6.364 1.00 0.00 H ATOM 628 N MET A 37 4.550 9.868 6.210 1.00 0.00 N ATOM 629 CA MET A 37 3.491 10.868 6.132 1.00 0.00 C ATOM 630 C MET A 37 3.677 11.757 4.905 1.00 0.00 C ATOM 631 O MET A 37 3.277 12.920 4.900 1.00 0.00 O ATOM 632 CB MET A 37 3.472 11.727 7.401 1.00 0.00 C ATOM 633 CG MET A 37 2.592 11.160 8.503 1.00 0.00 C ATOM 634 SD MET A 37 0.843 11.510 8.243 1.00 0.00 S ATOM 635 CE MET A 37 0.095 10.388 9.421 1.00 0.00 C ATOM 636 HA MET A 37 2.538 10.346 6.043 1.00 0.00 H ATOM 637 HB2 MET A 37 4.491 11.807 7.779 1.00 0.00 H ATOM 638 HB3 MET A 37 3.104 12.719 7.141 1.00 0.00 H ATOM 639 HG2 MET A 37 2.898 11.596 9.454 1.00 0.00 H ATOM 640 HG3 MET A 37 2.730 10.079 8.539 1.00 0.00 H ATOM 641 HE1 MET A 37 0.377 9.364 9.175 1.00 0.00 H ATOM 642 HE2 MET A 37 0.444 10.631 10.425 1.00 0.00 H ATOM 643 HE3 MET A 37 -0.990 10.488 9.378 1.00 0.00 H ATOM 644 H MET A 37 4.303 8.859 6.151 1.00 0.00 H ATOM 645 N ASP A 38 4.291 11.197 3.865 1.00 0.00 N ATOM 646 CA ASP A 38 4.535 11.935 2.630 1.00 0.00 C ATOM 647 C ASP A 38 3.840 11.266 1.448 1.00 0.00 C ATOM 648 O ASP A 38 4.080 10.094 1.155 1.00 0.00 O ATOM 649 CB ASP A 38 6.037 12.038 2.362 1.00 0.00 C ATOM 650 CG ASP A 38 6.736 12.958 3.343 1.00 0.00 C ATOM 651 OD1 ASP A 38 6.161 14.013 3.680 1.00 0.00 O ATOM 652 OD2 ASP A 38 7.860 12.622 3.773 1.00 0.00 O ATOM 653 HA ASP A 38 4.124 12.938 2.749 1.00 0.00 H ATOM 654 HB2 ASP A 38 6.476 11.043 2.440 1.00 0.00 H ATOM 655 HB3 ASP A 38 6.188 12.422 1.353 1.00 0.00 H ATOM 656 H ASP A 38 4.605 10.208 3.935 1.00 0.00 H ATOM 657 N VAL A 39 2.975 12.019 0.776 1.00 0.00 N ATOM 658 CA VAL A 39 2.241 11.503 -0.374 1.00 0.00 C ATOM 659 C VAL A 39 3.110 11.481 -1.630 1.00 0.00 C ATOM 660 O VAL A 39 2.703 10.948 -2.662 1.00 0.00 O ATOM 661 CB VAL A 39 0.978 12.341 -0.658 1.00 0.00 C ATOM 662 CG1 VAL A 39 0.094 11.646 -1.683 1.00 0.00 C ATOM 663 CG2 VAL A 39 0.208 12.612 0.628 1.00 0.00 C ATOM 664 HA VAL A 39 1.949 10.484 -0.122 1.00 0.00 H ATOM 665 HB VAL A 39 1.290 13.300 -1.072 1.00 0.00 H ATOM 666 HG11 VAL A 39 0.649 11.517 -2.612 1.00 0.00 H ATOM 667 HG12 VAL A 39 -0.207 10.671 -1.300 1.00 0.00 H ATOM 668 HG13 VAL A 39 -0.791 12.254 -1.869 1.00 0.00 H ATOM 669 HG21 VAL A 39 -0.092 11.665 1.077 1.00 0.00 H ATOM 670 HG22 VAL A 39 0.845 13.160 1.323 1.00 0.00 H ATOM 671 HG23 VAL A 39 -0.678 13.205 0.401 1.00 0.00 H ATOM 672 H VAL A 39 2.817 13.002 1.078 1.00 0.00 H ATOM 673 N ALA A 40 4.308 12.053 -1.541 1.00 0.00 N ATOM 674 CA ALA A 40 5.218 12.083 -2.677 1.00 0.00 C ATOM 675 C ALA A 40 5.858 10.722 -2.872 1.00 0.00 C ATOM 676 O ALA A 40 6.067 10.274 -3.998 1.00 0.00 O ATOM 677 CB ALA A 40 6.279 13.154 -2.482 1.00 0.00 C ATOM 678 HA ALA A 40 4.649 12.328 -3.574 1.00 0.00 H ATOM 679 HB1 ALA A 40 5.798 14.127 -2.388 1.00 0.00 H ATOM 680 HB2 ALA A 40 6.848 12.939 -1.578 1.00 0.00 H ATOM 681 HB3 ALA A 40 6.949 13.160 -3.342 1.00 0.00 H ATOM 682 H ALA A 40 4.600 12.487 -0.642 1.00 0.00 H ATOM 683 N VAL A 41 6.152 10.060 -1.760 1.00 0.00 N ATOM 684 CA VAL A 41 6.749 8.740 -1.807 1.00 0.00 C ATOM 685 C VAL A 41 5.719 7.720 -2.273 1.00 0.00 C ATOM 686 O VAL A 41 6.045 6.757 -2.967 1.00 0.00 O ATOM 687 CB VAL A 41 7.299 8.315 -0.432 1.00 0.00 C ATOM 688 CG1 VAL A 41 8.091 7.022 -0.550 1.00 0.00 C ATOM 689 CG2 VAL A 41 8.156 9.421 0.165 1.00 0.00 C ATOM 690 HA VAL A 41 7.581 8.780 -2.511 1.00 0.00 H ATOM 691 HB VAL A 41 6.457 8.138 0.237 1.00 0.00 H ATOM 692 HG11 VAL A 41 7.442 6.233 -0.931 1.00 0.00 H ATOM 693 HG12 VAL A 41 8.926 7.170 -1.235 1.00 0.00 H ATOM 694 HG13 VAL A 41 8.471 6.739 0.432 1.00 0.00 H ATOM 695 HG21 VAL A 41 8.992 9.631 -0.502 1.00 0.00 H ATOM 696 HG22 VAL A 41 7.553 10.321 0.287 1.00 0.00 H ATOM 697 HG23 VAL A 41 8.535 9.101 1.136 1.00 0.00 H ATOM 698 H VAL A 41 5.950 10.496 -0.838 1.00 0.00 H ATOM 699 N LEU A 42 4.469 7.953 -1.887 1.00 0.00 N ATOM 700 CA LEU A 42 3.368 7.076 -2.257 1.00 0.00 C ATOM 701 C LEU A 42 3.133 7.106 -3.764 1.00 0.00 C ATOM 702 O LEU A 42 2.973 6.063 -4.395 1.00 0.00 O ATOM 703 CB LEU A 42 2.096 7.497 -1.520 1.00 0.00 C ATOM 704 CG LEU A 42 1.555 6.477 -0.525 1.00 0.00 C ATOM 705 CD1 LEU A 42 0.383 7.059 0.250 1.00 0.00 C ATOM 706 CD2 LEU A 42 1.141 5.202 -1.244 1.00 0.00 C ATOM 707 HA LEU A 42 3.628 6.057 -1.971 1.00 0.00 H ATOM 708 HB2 LEU A 42 2.310 8.418 -0.977 1.00 0.00 H ATOM 709 HB3 LEU A 42 1.322 7.686 -2.264 1.00 0.00 H ATOM 710 HG LEU A 42 2.346 6.231 0.183 1.00 0.00 H ATOM 711 HD21 LEU A 42 0.365 5.433 -1.973 1.00 0.00 H ATOM 712 HD22 LEU A 42 2.005 4.777 -1.754 1.00 0.00 H ATOM 713 HD23 LEU A 42 0.757 4.485 -0.518 1.00 0.00 H ATOM 714 HD11 LEU A 42 0.712 7.945 0.793 1.00 0.00 H ATOM 715 HD12 LEU A 42 -0.411 7.332 -0.445 1.00 0.00 H ATOM 716 HD13 LEU A 42 0.011 6.316 0.955 1.00 0.00 H ATOM 717 H LEU A 42 4.271 8.789 -1.301 1.00 0.00 H ATOM 718 N VAL A 43 3.106 8.308 -4.334 1.00 0.00 N ATOM 719 CA VAL A 43 2.883 8.465 -5.769 1.00 0.00 C ATOM 720 C VAL A 43 3.927 7.704 -6.582 1.00 0.00 C ATOM 721 O VAL A 43 3.595 7.011 -7.544 1.00 0.00 O ATOM 722 CB VAL A 43 2.906 9.949 -6.181 1.00 0.00 C ATOM 723 CG1 VAL A 43 2.529 10.106 -7.648 1.00 0.00 C ATOM 724 CG2 VAL A 43 1.976 10.766 -5.295 1.00 0.00 C ATOM 725 HA VAL A 43 1.897 8.051 -5.980 1.00 0.00 H ATOM 726 HB VAL A 43 3.921 10.325 -6.049 1.00 0.00 H ATOM 727 HG11 VAL A 43 3.240 9.557 -8.265 1.00 0.00 H ATOM 728 HG12 VAL A 43 1.526 9.711 -7.808 1.00 0.00 H ATOM 729 HG13 VAL A 43 2.552 11.162 -7.917 1.00 0.00 H ATOM 730 HG21 VAL A 43 0.958 10.388 -5.392 1.00 0.00 H ATOM 731 HG22 VAL A 43 2.298 10.682 -4.257 1.00 0.00 H ATOM 732 HG23 VAL A 43 2.008 11.811 -5.603 1.00 0.00 H ATOM 733 H VAL A 43 3.247 9.154 -3.745 1.00 0.00 H ATOM 734 N GLY A 44 5.190 7.843 -6.193 1.00 0.00 N ATOM 735 CA GLY A 44 6.264 7.169 -6.900 1.00 0.00 C ATOM 736 C GLY A 44 6.125 5.659 -6.877 1.00 0.00 C ATOM 737 O GLY A 44 6.065 5.019 -7.927 1.00 0.00 O ATOM 738 HA3 GLY A 44 7.212 7.439 -6.434 1.00 0.00 H ATOM 739 HA2 GLY A 44 6.262 7.504 -7.937 1.00 0.00 H ATOM 740 H GLY A 44 5.412 8.442 -5.372 1.00 0.00 H ATOM 741 N ASP A 45 6.079 5.087 -5.680 1.00 0.00 N ATOM 742 CA ASP A 45 5.953 3.640 -5.525 1.00 0.00 C ATOM 743 C ASP A 45 4.616 3.144 -6.068 1.00 0.00 C ATOM 744 O ASP A 45 4.530 2.058 -6.645 1.00 0.00 O ATOM 745 CB ASP A 45 6.097 3.252 -4.054 1.00 0.00 C ATOM 746 CG ASP A 45 7.520 3.395 -3.554 1.00 0.00 C ATOM 747 OD1 ASP A 45 7.897 4.515 -3.148 1.00 0.00 O ATOM 748 OD2 ASP A 45 8.259 2.389 -3.570 1.00 0.00 O ATOM 749 HA ASP A 45 6.751 3.168 -6.099 1.00 0.00 H ATOM 750 HB2 ASP A 45 5.450 3.895 -3.457 1.00 0.00 H ATOM 751 HB3 ASP A 45 5.786 2.214 -3.934 1.00 0.00 H ATOM 752 H ASP A 45 6.134 5.685 -4.831 1.00 0.00 H ATOM 753 N LEU A 46 3.572 3.948 -5.881 1.00 0.00 N ATOM 754 CA LEU A 46 2.239 3.588 -6.352 1.00 0.00 C ATOM 755 C LEU A 46 2.267 3.224 -7.831 1.00 0.00 C ATOM 756 O LEU A 46 1.839 2.140 -8.222 1.00 0.00 O ATOM 757 CB LEU A 46 1.259 4.739 -6.115 1.00 0.00 C ATOM 758 CG LEU A 46 0.601 4.755 -4.732 1.00 0.00 C ATOM 759 CD1 LEU A 46 -0.040 6.106 -4.459 1.00 0.00 C ATOM 760 CD2 LEU A 46 -0.427 3.639 -4.619 1.00 0.00 C ATOM 761 HA LEU A 46 1.905 2.718 -5.787 1.00 0.00 H ATOM 762 HB2 LEU A 46 1.801 5.676 -6.243 1.00 0.00 H ATOM 763 HB3 LEU A 46 0.470 4.671 -6.864 1.00 0.00 H ATOM 764 HG LEU A 46 1.373 4.587 -3.981 1.00 0.00 H ATOM 765 HD21 LEU A 46 -1.196 3.776 -5.379 1.00 0.00 H ATOM 766 HD22 LEU A 46 0.065 2.678 -4.767 1.00 0.00 H ATOM 767 HD23 LEU A 46 -0.884 3.666 -3.630 1.00 0.00 H ATOM 768 HD11 LEU A 46 0.723 6.883 -4.496 1.00 0.00 H ATOM 769 HD12 LEU A 46 -0.800 6.305 -5.214 1.00 0.00 H ATOM 770 HD13 LEU A 46 -0.501 6.095 -3.471 1.00 0.00 H ATOM 771 H LEU A 46 3.710 4.853 -5.388 1.00 0.00 H ATOM 772 N LYS A 47 2.781 4.137 -8.644 1.00 0.00 N ATOM 773 CA LYS A 47 2.876 3.917 -10.084 1.00 0.00 C ATOM 774 C LYS A 47 3.620 2.620 -10.385 1.00 0.00 C ATOM 775 O LYS A 47 3.209 1.836 -11.243 1.00 0.00 O ATOM 776 CB LYS A 47 3.577 5.098 -10.758 1.00 0.00 C ATOM 777 CG LYS A 47 2.629 6.019 -11.509 1.00 0.00 C ATOM 778 CD LYS A 47 2.440 7.344 -10.785 1.00 0.00 C ATOM 779 CE LYS A 47 2.944 8.514 -11.617 1.00 0.00 C ATOM 780 NZ LYS A 47 3.253 9.702 -10.774 1.00 0.00 N ATOM 781 HA LYS A 47 1.865 3.834 -10.484 1.00 0.00 H ATOM 782 HB2 LYS A 47 4.088 5.680 -9.991 1.00 0.00 H ATOM 783 HB3 LYS A 47 4.310 4.707 -11.464 1.00 0.00 H ATOM 784 HG2 LYS A 47 3.037 6.213 -12.501 1.00 0.00 H ATOM 785 HG3 LYS A 47 1.661 5.528 -11.605 1.00 0.00 H ATOM 786 HD2 LYS A 47 1.379 7.487 -10.579 1.00 0.00 H ATOM 787 HD3 LYS A 47 2.990 7.315 -9.845 1.00 0.00 H ATOM 788 HE2 LYS A 47 2.178 8.786 -12.343 1.00 0.00 H ATOM 789 HE3 LYS A 47 3.849 8.209 -12.142 1.00 0.00 H ATOM 790 HZ1 LYS A 47 2.393 10.004 -10.274 1.00 0.00 H ATOM 791 HZ2 LYS A 47 3.988 9.453 -10.082 1.00 0.00 H ATOM 792 HZ3 LYS A 47 3.593 10.476 -11.379 1.00 0.00 H ATOM 793 H LYS A 47 3.126 5.034 -8.245 1.00 0.00 H ATOM 794 N LEU A 48 4.714 2.396 -9.664 1.00 0.00 N ATOM 795 CA LEU A 48 5.517 1.192 -9.842 1.00 0.00 C ATOM 796 C LEU A 48 4.641 -0.057 -9.784 1.00 0.00 C ATOM 797 O LEU A 48 4.761 -0.950 -10.620 1.00 0.00 O ATOM 798 CB LEU A 48 6.610 1.120 -8.772 1.00 0.00 C ATOM 799 CG LEU A 48 8.001 1.560 -9.238 1.00 0.00 C ATOM 800 CD1 LEU A 48 8.663 2.443 -8.191 1.00 0.00 C ATOM 801 CD2 LEU A 48 8.870 0.348 -9.545 1.00 0.00 C ATOM 802 HA LEU A 48 5.987 1.237 -10.825 1.00 0.00 H ATOM 803 HB2 LEU A 48 6.313 1.760 -7.941 1.00 0.00 H ATOM 804 HB3 LEU A 48 6.679 0.088 -8.427 1.00 0.00 H ATOM 805 HG LEU A 48 7.888 2.142 -10.153 1.00 0.00 H ATOM 806 HD21 LEU A 48 8.973 -0.260 -8.646 1.00 0.00 H ATOM 807 HD22 LEU A 48 8.403 -0.242 -10.333 1.00 0.00 H ATOM 808 HD23 LEU A 48 9.854 0.682 -9.874 1.00 0.00 H ATOM 809 HD11 LEU A 48 8.050 3.329 -8.024 1.00 0.00 H ATOM 810 HD12 LEU A 48 8.762 1.887 -7.259 1.00 0.00 H ATOM 811 HD13 LEU A 48 9.650 2.744 -8.543 1.00 0.00 H ATOM 812 H LEU A 48 5.005 3.098 -8.954 1.00 0.00 H ATOM 813 N VAL A 49 3.752 -0.106 -8.795 1.00 0.00 N ATOM 814 CA VAL A 49 2.850 -1.240 -8.641 1.00 0.00 C ATOM 815 C VAL A 49 1.454 -0.918 -9.178 1.00 0.00 C ATOM 816 O VAL A 49 0.515 -1.692 -8.995 1.00 0.00 O ATOM 817 CB VAL A 49 2.740 -1.680 -7.165 1.00 0.00 C ATOM 818 CG1 VAL A 49 2.093 -0.591 -6.321 1.00 0.00 C ATOM 819 CG2 VAL A 49 1.962 -2.983 -7.055 1.00 0.00 C ATOM 820 HA VAL A 49 3.274 -2.059 -9.222 1.00 0.00 H ATOM 821 HB VAL A 49 3.747 -1.848 -6.782 1.00 0.00 H ATOM 822 HG11 VAL A 49 2.697 0.315 -6.373 1.00 0.00 H ATOM 823 HG12 VAL A 49 1.093 -0.384 -6.701 1.00 0.00 H ATOM 824 HG13 VAL A 49 2.027 -0.926 -5.286 1.00 0.00 H ATOM 825 HG21 VAL A 49 0.960 -2.841 -7.459 1.00 0.00 H ATOM 826 HG22 VAL A 49 2.476 -3.761 -7.620 1.00 0.00 H ATOM 827 HG23 VAL A 49 1.895 -3.277 -6.008 1.00 0.00 H ATOM 828 H VAL A 49 3.700 0.682 -8.118 1.00 0.00 H ATOM 829 N ILE A 50 1.325 0.231 -9.839 1.00 0.00 N ATOM 830 CA ILE A 50 0.050 0.657 -10.401 1.00 0.00 C ATOM 831 C ILE A 50 0.239 1.267 -11.790 1.00 0.00 C ATOM 832 O ILE A 50 -0.547 2.102 -12.234 1.00 0.00 O ATOM 833 CB ILE A 50 -0.661 1.670 -9.473 1.00 0.00 C ATOM 834 CG1 ILE A 50 -0.952 1.028 -8.117 1.00 0.00 C ATOM 835 CG2 ILE A 50 -1.951 2.171 -10.099 1.00 0.00 C ATOM 836 CD1 ILE A 50 -1.212 2.033 -7.017 1.00 0.00 C ATOM 837 HA ILE A 50 -0.578 -0.230 -10.491 1.00 0.00 H ATOM 838 HB ILE A 50 0.003 2.523 -9.330 1.00 0.00 H ATOM 839 HG12 ILE A 50 -1.831 0.391 -8.218 1.00 0.00 H ATOM 840 HG13 ILE A 50 -0.094 0.419 -7.832 1.00 0.00 H ATOM 841 HD11 ILE A 50 -0.337 2.671 -6.895 1.00 0.00 H ATOM 842 HD12 ILE A 50 -2.075 2.644 -7.281 1.00 0.00 H ATOM 843 HD13 ILE A 50 -1.411 1.505 -6.084 1.00 0.00 H ATOM 844 HG21 ILE A 50 -1.727 2.662 -11.046 1.00 0.00 H ATOM 845 HG22 ILE A 50 -2.620 1.328 -10.274 1.00 0.00 H ATOM 846 HG23 ILE A 50 -2.429 2.881 -9.424 1.00 0.00 H ATOM 847 H ILE A 50 2.158 0.842 -9.957 1.00 0.00 H ATOM 848 N ASN A 51 1.289 0.839 -12.472 1.00 0.00 N ATOM 849 CA ASN A 51 1.582 1.341 -13.808 1.00 0.00 C ATOM 850 C ASN A 51 0.825 0.563 -14.886 1.00 0.00 C ATOM 851 O ASN A 51 1.160 0.655 -16.067 1.00 0.00 O ATOM 852 CB ASN A 51 3.087 1.280 -14.081 1.00 0.00 C ATOM 853 CG ASN A 51 3.686 -0.072 -13.744 1.00 0.00 C ATOM 854 OD1 ASN A 51 3.142 -1.114 -14.105 1.00 0.00 O ATOM 855 ND2 ASN A 51 4.816 -0.058 -13.045 1.00 0.00 N ATOM 856 HA ASN A 51 1.248 2.378 -13.847 1.00 0.00 H ATOM 857 HB2 ASN A 51 3.259 1.485 -15.138 1.00 0.00 H ATOM 858 HB3 ASN A 51 3.583 2.042 -13.479 1.00 0.00 H ATOM 859 HD22 ASN A 51 5.241 0.848 -12.761 1.00 0.00 H ATOM 860 HD21 ASN A 51 5.276 -0.953 -12.782 1.00 0.00 H ATOM 861 H ASN A 51 1.918 0.129 -12.045 1.00 0.00 H ATOM 862 N GLU A 52 -0.201 -0.197 -14.491 1.00 0.00 N ATOM 863 CA GLU A 52 -0.982 -0.963 -15.455 1.00 0.00 C ATOM 864 C GLU A 52 -2.468 -0.668 -15.290 1.00 0.00 C ATOM 865 O GLU A 52 -2.946 -0.474 -14.173 1.00 0.00 O ATOM 866 CB GLU A 52 -0.726 -2.461 -15.286 1.00 0.00 C ATOM 867 CG GLU A 52 0.741 -2.811 -15.094 1.00 0.00 C ATOM 868 CD GLU A 52 1.528 -2.761 -16.389 1.00 0.00 C ATOM 869 OE1 GLU A 52 1.277 -3.611 -17.269 1.00 0.00 O ATOM 870 OE2 GLU A 52 2.395 -1.873 -16.523 1.00 0.00 O ATOM 871 HA GLU A 52 -0.672 -0.666 -16.457 1.00 0.00 H ATOM 872 HB2 GLU A 52 -1.280 -2.809 -14.415 1.00 0.00 H ATOM 873 HB3 GLU A 52 -1.090 -2.975 -16.176 1.00 0.00 H ATOM 874 HG2 GLU A 52 1.180 -2.103 -14.391 1.00 0.00 H ATOM 875 HG3 GLU A 52 0.809 -3.818 -14.683 1.00 0.00 H ATOM 876 H GLU A 52 -0.446 -0.243 -13.481 1.00 0.00 H ATOM 877 N PRO A 53 -3.227 -0.637 -16.399 1.00 0.00 N ATOM 878 CA PRO A 53 -4.664 -0.374 -16.356 1.00 0.00 C ATOM 879 C PRO A 53 -5.358 -1.235 -15.310 1.00 0.00 C ATOM 880 O PRO A 53 -6.270 -0.784 -14.618 1.00 0.00 O ATOM 881 CB PRO A 53 -5.152 -0.734 -17.770 1.00 0.00 C ATOM 882 CG PRO A 53 -3.990 -1.389 -18.448 1.00 0.00 C ATOM 883 CD PRO A 53 -2.758 -0.867 -17.768 1.00 0.00 C ATOM 884 HA PRO A 53 -4.885 0.657 -16.081 1.00 0.00 H ATOM 885 HD3 PRO A 53 -1.953 -1.602 -17.791 1.00 0.00 H ATOM 886 HD2 PRO A 53 -2.416 0.060 -18.229 1.00 0.00 H ATOM 887 HG3 PRO A 53 -3.975 -1.131 -19.507 1.00 0.00 H ATOM 888 HG2 PRO A 53 -4.051 -2.472 -18.340 1.00 0.00 H ATOM 889 HB2 PRO A 53 -5.997 -1.420 -17.717 1.00 0.00 H ATOM 890 HB3 PRO A 53 -5.449 0.165 -18.310 1.00 0.00 H ATOM 891 N SER A 54 -4.903 -2.479 -15.194 1.00 0.00 N ATOM 892 CA SER A 54 -5.461 -3.411 -14.225 1.00 0.00 C ATOM 893 C SER A 54 -5.098 -2.991 -12.804 1.00 0.00 C ATOM 894 O SER A 54 -5.875 -3.187 -11.871 1.00 0.00 O ATOM 895 CB SER A 54 -4.955 -4.828 -14.499 1.00 0.00 C ATOM 896 OG SER A 54 -4.788 -5.051 -15.890 1.00 0.00 O ATOM 897 HA SER A 54 -6.546 -3.399 -14.324 1.00 0.00 H ATOM 898 HB2 SER A 54 -5.676 -5.546 -14.107 1.00 0.00 H ATOM 899 HB3 SER A 54 -3.997 -4.967 -13.998 1.00 0.00 H ATOM 900 HG SER A 54 -4.461 -5.973 -16.038 1.00 0.00 H ATOM 901 H SER A 54 -4.128 -2.794 -15.812 1.00 0.00 H ATOM 902 N ARG A 55 -3.907 -2.419 -12.650 1.00 0.00 N ATOM 903 CA ARG A 55 -3.435 -1.979 -11.343 1.00 0.00 C ATOM 904 C ARG A 55 -3.826 -0.528 -11.057 1.00 0.00 C ATOM 905 O ARG A 55 -3.721 -0.061 -9.923 1.00 0.00 O ATOM 906 CB ARG A 55 -1.919 -2.145 -11.241 1.00 0.00 C ATOM 907 CG ARG A 55 -1.469 -3.598 -11.267 1.00 0.00 C ATOM 908 CD ARG A 55 -0.296 -3.809 -12.211 1.00 0.00 C ATOM 909 NE ARG A 55 -0.525 -4.929 -13.122 1.00 0.00 N ATOM 910 CZ ARG A 55 -0.368 -6.206 -12.781 1.00 0.00 C ATOM 911 NH1 ARG A 55 0.009 -6.530 -11.549 1.00 0.00 N ATOM 912 NH2 ARG A 55 -0.592 -7.162 -13.672 1.00 0.00 N ATOM 913 HA ARG A 55 -3.916 -2.607 -10.593 1.00 0.00 H ATOM 914 HB2 ARG A 55 -1.457 -1.624 -12.080 1.00 0.00 H ATOM 915 HB3 ARG A 55 -1.584 -1.695 -10.306 1.00 0.00 H ATOM 916 HG2 ARG A 55 -1.170 -3.893 -10.261 1.00 0.00 H ATOM 917 HG3 ARG A 55 -2.302 -4.220 -11.594 1.00 0.00 H ATOM 918 HD2 ARG A 55 0.599 -4.010 -11.622 1.00 0.00 H ATOM 919 HD3 ARG A 55 -0.147 -2.902 -12.797 1.00 0.00 H ATOM 920 HE ARG A 55 -0.828 -4.716 -14.094 1.00 0.00 H ATOM 921 HH12 ARG A 55 0.130 -7.529 -11.288 1.00 0.00 H ATOM 922 HH11 ARG A 55 0.183 -5.784 -10.845 1.00 0.00 H ATOM 923 HH22 ARG A 55 -0.469 -8.160 -13.406 1.00 0.00 H ATOM 924 HH21 ARG A 55 -0.890 -6.914 -14.637 1.00 0.00 H ATOM 925 H ARG A 55 -3.298 -2.282 -13.482 1.00 0.00 H ATOM 926 N LEU A 56 -4.283 0.179 -12.089 1.00 0.00 N ATOM 927 CA LEU A 56 -4.691 1.575 -11.947 1.00 0.00 C ATOM 928 C LEU A 56 -5.702 1.762 -10.812 1.00 0.00 C ATOM 929 O LEU A 56 -5.575 2.686 -10.008 1.00 0.00 O ATOM 930 CB LEU A 56 -5.285 2.084 -13.262 1.00 0.00 C ATOM 931 CG LEU A 56 -4.263 2.602 -14.275 1.00 0.00 C ATOM 932 CD1 LEU A 56 -4.964 3.146 -15.511 1.00 0.00 C ATOM 933 CD2 LEU A 56 -3.382 3.672 -13.646 1.00 0.00 C ATOM 934 HA LEU A 56 -3.802 2.154 -11.698 1.00 0.00 H ATOM 935 HB2 LEU A 56 -5.835 1.264 -13.725 1.00 0.00 H ATOM 936 HB3 LEU A 56 -5.974 2.897 -13.030 1.00 0.00 H ATOM 937 HG LEU A 56 -3.628 1.769 -14.579 1.00 0.00 H ATOM 938 HD21 LEU A 56 -4.004 4.503 -13.313 1.00 0.00 H ATOM 939 HD22 LEU A 56 -2.852 3.249 -12.793 1.00 0.00 H ATOM 940 HD23 LEU A 56 -2.662 4.027 -14.383 1.00 0.00 H ATOM 941 HD11 LEU A 56 -5.550 2.352 -15.974 1.00 0.00 H ATOM 942 HD12 LEU A 56 -5.623 3.965 -15.223 1.00 0.00 H ATOM 943 HD13 LEU A 56 -4.219 3.509 -16.219 1.00 0.00 H ATOM 944 H LEU A 56 -4.351 -0.275 -13.022 1.00 0.00 H ATOM 945 N PRO A 57 -6.728 0.895 -10.735 1.00 0.00 N ATOM 946 CA PRO A 57 -7.766 0.982 -9.698 1.00 0.00 C ATOM 947 C PRO A 57 -7.208 1.180 -8.289 1.00 0.00 C ATOM 948 O PRO A 57 -7.904 1.688 -7.410 1.00 0.00 O ATOM 949 CB PRO A 57 -8.477 -0.365 -9.804 1.00 0.00 C ATOM 950 CG PRO A 57 -8.316 -0.759 -11.230 1.00 0.00 C ATOM 951 CD PRO A 57 -6.973 -0.233 -11.658 1.00 0.00 C ATOM 952 HA PRO A 57 -8.411 1.847 -9.855 1.00 0.00 H ATOM 953 HD3 PRO A 57 -6.204 -0.998 -11.551 1.00 0.00 H ATOM 954 HD2 PRO A 57 -7.001 0.110 -12.692 1.00 0.00 H ATOM 955 HG3 PRO A 57 -9.107 -0.317 -11.837 1.00 0.00 H ATOM 956 HG2 PRO A 57 -8.347 -1.844 -11.329 1.00 0.00 H ATOM 957 HB2 PRO A 57 -8.012 -1.099 -9.146 1.00 0.00 H ATOM 958 HB3 PRO A 57 -9.532 -0.266 -9.548 1.00 0.00 H ATOM 959 N LEU A 58 -5.959 0.774 -8.066 1.00 0.00 N ATOM 960 CA LEU A 58 -5.343 0.913 -6.750 1.00 0.00 C ATOM 961 C LEU A 58 -4.980 2.366 -6.458 1.00 0.00 C ATOM 962 O LEU A 58 -5.110 2.832 -5.325 1.00 0.00 O ATOM 963 CB LEU A 58 -4.096 0.032 -6.650 1.00 0.00 C ATOM 964 CG LEU A 58 -4.250 -1.381 -7.218 1.00 0.00 C ATOM 965 CD1 LEU A 58 -2.891 -2.046 -7.371 1.00 0.00 C ATOM 966 CD2 LEU A 58 -5.157 -2.217 -6.329 1.00 0.00 C ATOM 967 HA LEU A 58 -6.071 0.589 -6.006 1.00 0.00 H ATOM 968 HB2 LEU A 58 -3.289 0.527 -7.190 1.00 0.00 H ATOM 969 HB3 LEU A 58 -3.827 -0.055 -5.597 1.00 0.00 H ATOM 970 HG LEU A 58 -4.709 -1.307 -8.204 1.00 0.00 H ATOM 971 HD21 LEU A 58 -4.725 -2.282 -5.330 1.00 0.00 H ATOM 972 HD22 LEU A 58 -6.140 -1.749 -6.272 1.00 0.00 H ATOM 973 HD23 LEU A 58 -5.254 -3.218 -6.750 1.00 0.00 H ATOM 974 HD11 LEU A 58 -2.274 -1.457 -8.049 1.00 0.00 H ATOM 975 HD12 LEU A 58 -2.406 -2.107 -6.397 1.00 0.00 H ATOM 976 HD13 LEU A 58 -3.022 -3.049 -7.776 1.00 0.00 H ATOM 977 H LEU A 58 -5.413 0.350 -8.843 1.00 0.00 H ATOM 978 N PHE A 59 -4.523 3.080 -7.482 1.00 0.00 N ATOM 979 CA PHE A 59 -4.142 4.480 -7.326 1.00 0.00 C ATOM 980 C PHE A 59 -5.324 5.322 -6.853 1.00 0.00 C ATOM 981 O PHE A 59 -5.208 6.098 -5.906 1.00 0.00 O ATOM 982 CB PHE A 59 -3.602 5.034 -8.648 1.00 0.00 C ATOM 983 CG PHE A 59 -2.320 5.802 -8.497 1.00 0.00 C ATOM 984 CD1 PHE A 59 -2.258 6.921 -7.685 1.00 0.00 C ATOM 985 CD2 PHE A 59 -1.175 5.401 -9.167 1.00 0.00 C ATOM 986 CE1 PHE A 59 -1.079 7.627 -7.545 1.00 0.00 C ATOM 987 CE2 PHE A 59 0.005 6.101 -9.030 1.00 0.00 C ATOM 988 CZ PHE A 59 0.054 7.216 -8.218 1.00 0.00 C ATOM 989 HA PHE A 59 -3.359 4.533 -6.569 1.00 0.00 H ATOM 990 HB2 PHE A 59 -3.426 4.199 -9.326 1.00 0.00 H ATOM 991 HB3 PHE A 59 -4.353 5.697 -9.077 1.00 0.00 H ATOM 992 HD2 PHE A 59 -1.208 4.522 -9.810 1.00 0.00 H ATOM 993 HE2 PHE A 59 0.898 5.774 -9.562 1.00 0.00 H ATOM 994 HZ PHE A 59 0.986 7.771 -8.108 1.00 0.00 H ATOM 995 HE1 PHE A 59 -1.043 8.508 -6.904 1.00 0.00 H ATOM 996 HD1 PHE A 59 -3.149 7.249 -7.150 1.00 0.00 H ATOM 997 H PHE A 59 -4.435 2.631 -8.416 1.00 0.00 H ATOM 998 N ASP A 60 -6.459 5.160 -7.523 1.00 0.00 N ATOM 999 CA ASP A 60 -7.666 5.900 -7.177 1.00 0.00 C ATOM 1000 C ASP A 60 -8.307 5.339 -5.913 1.00 0.00 C ATOM 1001 O ASP A 60 -8.947 6.063 -5.153 1.00 0.00 O ATOM 1002 CB ASP A 60 -8.667 5.854 -8.336 1.00 0.00 C ATOM 1003 CG ASP A 60 -8.631 7.110 -9.182 1.00 0.00 C ATOM 1004 OD1 ASP A 60 -9.017 8.181 -8.669 1.00 0.00 O ATOM 1005 OD2 ASP A 60 -8.218 7.023 -10.357 1.00 0.00 O ATOM 1006 HA ASP A 60 -7.385 6.936 -6.989 1.00 0.00 H ATOM 1007 HB2 ASP A 60 -8.431 4.999 -8.969 1.00 0.00 H ATOM 1008 HB3 ASP A 60 -9.671 5.736 -7.927 1.00 0.00 H ATOM 1009 H ASP A 60 -6.487 4.487 -8.316 1.00 0.00 H ATOM 1010 N ALA A 61 -8.141 4.038 -5.711 1.00 0.00 N ATOM 1011 CA ALA A 61 -8.708 3.352 -4.556 1.00 0.00 C ATOM 1012 C ALA A 61 -8.122 3.857 -3.236 1.00 0.00 C ATOM 1013 O ALA A 61 -8.851 4.321 -2.361 1.00 0.00 O ATOM 1014 CB ALA A 61 -8.487 1.859 -4.697 1.00 0.00 C ATOM 1015 HA ALA A 61 -9.776 3.567 -4.530 1.00 0.00 H ATOM 1016 HB1 ALA A 61 -8.974 1.505 -5.606 1.00 0.00 H ATOM 1017 HB2 ALA A 61 -7.418 1.655 -4.753 1.00 0.00 H ATOM 1018 HB3 ALA A 61 -8.911 1.347 -3.833 1.00 0.00 H ATOM 1019 H ALA A 61 -7.588 3.489 -6.400 1.00 0.00 H ATOM 1020 N ILE A 62 -6.805 3.741 -3.090 1.00 0.00 N ATOM 1021 CA ILE A 62 -6.120 4.168 -1.873 1.00 0.00 C ATOM 1022 C ILE A 62 -6.321 5.660 -1.595 1.00 0.00 C ATOM 1023 O ILE A 62 -6.379 6.081 -0.441 1.00 0.00 O ATOM 1024 CB ILE A 62 -4.607 3.852 -1.960 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -4.119 3.217 -0.656 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -3.792 5.098 -2.289 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -3.117 2.103 -0.866 1.00 0.00 C ATOM 1028 HA ILE A 62 -6.560 3.610 -1.047 1.00 0.00 H ATOM 1029 HB ILE A 62 -4.462 3.140 -2.773 1.00 0.00 H ATOM 1030 HG12 ILE A 62 -3.652 3.992 -0.048 1.00 0.00 H ATOM 1031 HG13 ILE A 62 -4.981 2.811 -0.126 1.00 0.00 H ATOM 1032 HD11 ILE A 62 -3.573 1.314 -1.464 1.00 0.00 H ATOM 1033 HD12 ILE A 62 -2.243 2.495 -1.386 1.00 0.00 H ATOM 1034 HD13 ILE A 62 -2.816 1.700 0.101 1.00 0.00 H ATOM 1035 HG21 ILE A 62 -4.116 5.500 -3.249 1.00 0.00 H ATOM 1036 HG22 ILE A 62 -3.944 5.846 -1.511 1.00 0.00 H ATOM 1037 HG23 ILE A 62 -2.735 4.836 -2.342 1.00 0.00 H ATOM 1038 H ILE A 62 -6.246 3.334 -3.867 1.00 0.00 H ATOM 1039 N ARG A 63 -6.400 6.452 -2.660 1.00 0.00 N ATOM 1040 CA ARG A 63 -6.570 7.905 -2.538 1.00 0.00 C ATOM 1041 C ARG A 63 -7.578 8.274 -1.438 1.00 0.00 C ATOM 1042 O ARG A 63 -7.212 8.924 -0.459 1.00 0.00 O ATOM 1043 CB ARG A 63 -6.983 8.508 -3.888 1.00 0.00 C ATOM 1044 CG ARG A 63 -7.344 9.987 -3.824 1.00 0.00 C ATOM 1045 CD ARG A 63 -8.585 10.299 -4.649 1.00 0.00 C ATOM 1046 NE ARG A 63 -8.279 11.144 -5.802 1.00 0.00 N ATOM 1047 CZ ARG A 63 -7.718 10.693 -6.922 1.00 0.00 C ATOM 1048 NH1 ARG A 63 -7.406 9.409 -7.046 1.00 0.00 N ATOM 1049 NH2 ARG A 63 -7.469 11.528 -7.922 1.00 0.00 N ATOM 1050 HA ARG A 63 -5.609 8.329 -2.245 1.00 0.00 H ATOM 1051 HB2 ARG A 63 -6.154 8.388 -4.585 1.00 0.00 H ATOM 1052 HB3 ARG A 63 -7.849 7.959 -4.258 1.00 0.00 H ATOM 1053 HG2 ARG A 63 -7.531 10.261 -2.786 1.00 0.00 H ATOM 1054 HG3 ARG A 63 -6.508 10.572 -4.207 1.00 0.00 H ATOM 1055 HD2 ARG A 63 -9.308 10.815 -4.017 1.00 0.00 H ATOM 1056 HD3 ARG A 63 -9.017 9.363 -5.003 1.00 0.00 H ATOM 1057 HE ARG A 63 -8.513 12.156 -5.744 1.00 0.00 H ATOM 1058 HH12 ARG A 63 -6.968 9.063 -7.923 1.00 0.00 H ATOM 1059 HH11 ARG A 63 -7.600 8.749 -6.266 1.00 0.00 H ATOM 1060 HH22 ARG A 63 -7.031 11.176 -8.797 1.00 0.00 H ATOM 1061 HH21 ARG A 63 -7.712 12.535 -7.831 1.00 0.00 H ATOM 1062 H ARG A 63 -6.340 6.029 -3.608 1.00 0.00 H ATOM 1063 N PRO A 64 -8.859 7.873 -1.585 1.00 0.00 N ATOM 1064 CA PRO A 64 -9.910 8.163 -0.608 1.00 0.00 C ATOM 1065 C PRO A 64 -9.411 8.186 0.837 1.00 0.00 C ATOM 1066 O PRO A 64 -9.903 8.958 1.660 1.00 0.00 O ATOM 1067 CB PRO A 64 -10.881 7.002 -0.807 1.00 0.00 C ATOM 1068 CG PRO A 64 -10.723 6.586 -2.235 1.00 0.00 C ATOM 1069 CD PRO A 64 -9.389 7.108 -2.721 1.00 0.00 C ATOM 1070 HA PRO A 64 -10.338 9.153 -0.763 1.00 0.00 H ATOM 1071 HD3 PRO A 64 -8.722 6.284 -2.976 1.00 0.00 H ATOM 1072 HD2 PRO A 64 -9.520 7.751 -3.591 1.00 0.00 H ATOM 1073 HG3 PRO A 64 -11.528 7.008 -2.836 1.00 0.00 H ATOM 1074 HG2 PRO A 64 -10.746 5.499 -2.310 1.00 0.00 H ATOM 1075 HB2 PRO A 64 -10.630 6.177 -0.140 1.00 0.00 H ATOM 1076 HB3 PRO A 64 -11.904 7.324 -0.615 1.00 0.00 H ATOM 1077 N LEU A 65 -8.430 7.340 1.138 1.00 0.00 N ATOM 1078 CA LEU A 65 -7.865 7.271 2.481 1.00 0.00 C ATOM 1079 C LEU A 65 -7.172 8.582 2.815 1.00 0.00 C ATOM 1080 O LEU A 65 -7.458 9.217 3.829 1.00 0.00 O ATOM 1081 CB LEU A 65 -6.870 6.113 2.590 1.00 0.00 C ATOM 1082 CG LEU A 65 -7.326 4.799 1.954 1.00 0.00 C ATOM 1083 CD1 LEU A 65 -6.152 3.841 1.823 1.00 0.00 C ATOM 1084 CD2 LEU A 65 -8.443 4.171 2.773 1.00 0.00 C ATOM 1085 HA LEU A 65 -8.674 7.098 3.190 1.00 0.00 H ATOM 1086 HB2 LEU A 65 -5.943 6.418 2.105 1.00 0.00 H ATOM 1087 HB3 LEU A 65 -6.682 5.928 3.648 1.00 0.00 H ATOM 1088 HG LEU A 65 -7.712 5.010 0.957 1.00 0.00 H ATOM 1089 HD21 LEU A 65 -8.083 3.971 3.782 1.00 0.00 H ATOM 1090 HD22 LEU A 65 -9.289 4.857 2.817 1.00 0.00 H ATOM 1091 HD23 LEU A 65 -8.754 3.237 2.305 1.00 0.00 H ATOM 1092 HD11 LEU A 65 -5.384 4.293 1.196 1.00 0.00 H ATOM 1093 HD12 LEU A 65 -5.741 3.635 2.811 1.00 0.00 H ATOM 1094 HD13 LEU A 65 -6.493 2.911 1.369 1.00 0.00 H ATOM 1095 H LEU A 65 -8.057 6.712 0.398 1.00 0.00 H ATOM 1096 N ILE A 66 -6.263 8.976 1.933 1.00 0.00 N ATOM 1097 CA ILE A 66 -5.508 10.209 2.082 1.00 0.00 C ATOM 1098 C ILE A 66 -6.417 11.364 2.530 1.00 0.00 C ATOM 1099 O ILE A 66 -7.488 11.574 1.962 1.00 0.00 O ATOM 1100 CB ILE A 66 -4.817 10.559 0.742 1.00 0.00 C ATOM 1101 CG1 ILE A 66 -3.438 9.898 0.670 1.00 0.00 C ATOM 1102 CG2 ILE A 66 -4.702 12.061 0.545 1.00 0.00 C ATOM 1103 CD1 ILE A 66 -3.422 8.623 -0.145 1.00 0.00 C ATOM 1104 HA ILE A 66 -4.751 10.062 2.853 1.00 0.00 H ATOM 1105 HB ILE A 66 -5.438 10.171 -0.066 1.00 0.00 H ATOM 1106 HG12 ILE A 66 -2.740 10.604 0.221 1.00 0.00 H ATOM 1107 HG13 ILE A 66 -3.114 9.664 1.684 1.00 0.00 H ATOM 1108 HD11 ILE A 66 -4.108 7.901 0.298 1.00 0.00 H ATOM 1109 HD12 ILE A 66 -3.733 8.842 -1.166 1.00 0.00 H ATOM 1110 HD13 ILE A 66 -2.413 8.210 -0.152 1.00 0.00 H ATOM 1111 HG21 ILE A 66 -5.698 12.503 0.544 1.00 0.00 H ATOM 1112 HG22 ILE A 66 -4.114 12.489 1.357 1.00 0.00 H ATOM 1113 HG23 ILE A 66 -4.212 12.265 -0.407 1.00 0.00 H ATOM 1114 H ILE A 66 -6.083 8.378 1.101 1.00 0.00 H ATOM 1115 N PRO A 67 -5.997 12.130 3.556 1.00 0.00 N ATOM 1116 CA PRO A 67 -6.778 13.262 4.070 1.00 0.00 C ATOM 1117 C PRO A 67 -7.023 14.319 3.001 1.00 0.00 C ATOM 1118 O PRO A 67 -6.383 14.311 1.950 1.00 0.00 O ATOM 1119 CB PRO A 67 -5.914 13.828 5.204 1.00 0.00 C ATOM 1120 CG PRO A 67 -4.545 13.289 4.964 1.00 0.00 C ATOM 1121 CD PRO A 67 -4.734 11.958 4.293 1.00 0.00 C ATOM 1122 HA PRO A 67 -7.769 12.952 4.402 1.00 0.00 H ATOM 1123 HD3 PRO A 67 -3.910 11.742 3.613 1.00 0.00 H ATOM 1124 HD2 PRO A 67 -4.816 11.157 5.028 1.00 0.00 H ATOM 1125 HG3 PRO A 67 -4.016 13.165 5.909 1.00 0.00 H ATOM 1126 HG2 PRO A 67 -3.981 13.962 4.318 1.00 0.00 H ATOM 1127 HB2 PRO A 67 -5.907 14.917 5.171 1.00 0.00 H ATOM 1128 HB3 PRO A 67 -6.290 13.497 6.172 1.00 0.00 H ATOM 1129 N LEU A 68 -7.958 15.227 3.271 1.00 0.00 N ATOM 1130 CA LEU A 68 -8.294 16.290 2.329 1.00 0.00 C ATOM 1131 C LEU A 68 -7.046 17.045 1.880 1.00 0.00 C ATOM 1132 O LEU A 68 -6.809 17.213 0.683 1.00 0.00 O ATOM 1133 CB LEU A 68 -9.294 17.262 2.955 1.00 0.00 C ATOM 1134 CG LEU A 68 -10.246 17.938 1.966 1.00 0.00 C ATOM 1135 CD1 LEU A 68 -11.490 18.439 2.682 1.00 0.00 C ATOM 1136 CD2 LEU A 68 -9.542 19.080 1.250 1.00 0.00 C ATOM 1137 HA LEU A 68 -8.748 15.827 1.453 1.00 0.00 H ATOM 1138 HB2 LEU A 68 -9.894 16.710 3.679 1.00 0.00 H ATOM 1139 HB3 LEU A 68 -8.732 18.041 3.470 1.00 0.00 H ATOM 1140 HG LEU A 68 -10.553 17.203 1.222 1.00 0.00 H ATOM 1141 HD21 LEU A 68 -9.208 19.815 1.982 1.00 0.00 H ATOM 1142 HD22 LEU A 68 -8.681 18.691 0.706 1.00 0.00 H ATOM 1143 HD23 LEU A 68 -10.233 19.550 0.550 1.00 0.00 H ATOM 1144 HD11 LEU A 68 -12.002 17.598 3.149 1.00 0.00 H ATOM 1145 HD12 LEU A 68 -11.202 19.160 3.447 1.00 0.00 H ATOM 1146 HD13 LEU A 68 -12.155 18.917 1.962 1.00 0.00 H ATOM 1147 H LEU A 68 -8.463 15.178 4.179 1.00 0.00 H ATOM 1148 N LYS A 69 -6.250 17.492 2.844 1.00 0.00 N ATOM 1149 CA LYS A 69 -5.024 18.226 2.541 1.00 0.00 C ATOM 1150 C LYS A 69 -4.121 17.405 1.627 1.00 0.00 C ATOM 1151 O LYS A 69 -3.815 17.809 0.502 1.00 0.00 O ATOM 1152 CB LYS A 69 -4.281 18.576 3.832 1.00 0.00 C ATOM 1153 CG LYS A 69 -3.377 19.790 3.702 1.00 0.00 C ATOM 1154 CD LYS A 69 -1.993 19.402 3.207 1.00 0.00 C ATOM 1155 CE LYS A 69 -1.304 20.564 2.510 1.00 0.00 C ATOM 1156 NZ LYS A 69 -0.281 21.206 3.382 1.00 0.00 N ATOM 1157 HA LYS A 69 -5.295 19.149 2.028 1.00 0.00 H ATOM 1158 HB2 LYS A 69 -5.017 18.776 4.611 1.00 0.00 H ATOM 1159 HB3 LYS A 69 -3.671 17.721 4.122 1.00 0.00 H ATOM 1160 HG2 LYS A 69 -3.823 20.490 2.996 1.00 0.00 H ATOM 1161 HG3 LYS A 69 -3.284 20.269 4.677 1.00 0.00 H ATOM 1162 HD2 LYS A 69 -1.387 19.089 4.057 1.00 0.00 H ATOM 1163 HD3 LYS A 69 -2.087 18.573 2.505 1.00 0.00 H ATOM 1164 HE2 LYS A 69 -2.054 21.308 2.239 1.00 0.00 H ATOM 1165 HE3 LYS A 69 -0.817 20.195 1.607 1.00 0.00 H ATOM 1166 HZ1 LYS A 69 -0.739 21.567 4.243 1.00 0.00 H ATOM 1167 HZ2 LYS A 69 0.442 20.505 3.640 1.00 0.00 H ATOM 1168 HZ3 LYS A 69 0.165 21.993 2.869 1.00 0.00 H ATOM 1169 H LYS A 69 -6.505 17.316 3.837 1.00 0.00 H ATOM 1170 N HIS A 70 -3.706 16.240 2.115 1.00 0.00 N ATOM 1171 CA HIS A 70 -2.849 15.355 1.341 1.00 0.00 C ATOM 1172 C HIS A 70 -3.529 14.958 0.034 1.00 0.00 C ATOM 1173 O HIS A 70 -2.863 14.608 -0.940 1.00 0.00 O ATOM 1174 CB HIS A 70 -2.497 14.107 2.155 1.00 0.00 C ATOM 1175 CG HIS A 70 -1.634 14.395 3.343 1.00 0.00 C ATOM 1176 ND1 HIS A 70 -1.095 13.407 4.139 1.00 0.00 N ATOM 1177 CD2 HIS A 70 -1.217 15.570 3.873 1.00 0.00 C ATOM 1178 CE1 HIS A 70 -0.385 13.960 5.107 1.00 0.00 C ATOM 1179 NE2 HIS A 70 -0.443 15.272 4.966 1.00 0.00 N ATOM 1180 HA HIS A 70 -1.929 15.889 1.104 1.00 0.00 H ATOM 1181 HB2 HIS A 70 -3.423 13.649 2.503 1.00 0.00 H ATOM 1182 HB3 HIS A 70 -1.969 13.408 1.506 1.00 0.00 H ATOM 1183 HD2 HIS A 70 -1.453 16.567 3.500 1.00 0.00 H ATOM 1184 HE1 HIS A 70 0.156 13.425 5.888 1.00 0.00 H ATOM 1185 H HIS A 70 -4.000 15.955 3.071 1.00 0.00 H ATOM 1186 N GLN A 71 -4.861 15.028 0.013 1.00 0.00 N ATOM 1187 CA GLN A 71 -5.621 14.691 -1.183 1.00 0.00 C ATOM 1188 C GLN A 71 -5.332 15.695 -2.288 1.00 0.00 C ATOM 1189 O GLN A 71 -5.131 15.327 -3.445 1.00 0.00 O ATOM 1190 CB GLN A 71 -7.122 14.664 -0.877 1.00 0.00 C ATOM 1191 CG GLN A 71 -7.720 13.266 -0.884 1.00 0.00 C ATOM 1192 CD GLN A 71 -9.200 13.267 -1.208 1.00 0.00 C ATOM 1193 OE1 GLN A 71 -9.648 13.962 -2.121 1.00 0.00 O ATOM 1194 NE2 GLN A 71 -9.971 12.485 -0.460 1.00 0.00 N ATOM 1195 HA GLN A 71 -5.317 13.699 -1.517 1.00 0.00 H ATOM 1196 HB2 GLN A 71 -7.281 15.102 0.108 1.00 0.00 H ATOM 1197 HB3 GLN A 71 -7.638 15.263 -1.627 1.00 0.00 H ATOM 1198 HG2 GLN A 71 -7.199 12.667 -1.631 1.00 0.00 H ATOM 1199 HG3 GLN A 71 -7.578 12.820 0.101 1.00 0.00 H ATOM 1200 HE22 GLN A 71 -9.550 11.915 0.301 1.00 0.00 H ATOM 1201 HE21 GLN A 71 -10.995 12.443 -0.636 1.00 0.00 H ATOM 1202 H GLN A 71 -5.368 15.330 0.869 1.00 0.00 H ATOM 1203 N VAL A 72 -5.301 16.970 -1.916 1.00 0.00 N ATOM 1204 CA VAL A 72 -5.022 18.035 -2.868 1.00 0.00 C ATOM 1205 C VAL A 72 -3.605 17.908 -3.404 1.00 0.00 C ATOM 1206 O VAL A 72 -3.370 18.007 -4.608 1.00 0.00 O ATOM 1207 CB VAL A 72 -5.197 19.427 -2.228 1.00 0.00 C ATOM 1208 CG1 VAL A 72 -5.056 20.519 -3.277 1.00 0.00 C ATOM 1209 CG2 VAL A 72 -6.540 19.526 -1.521 1.00 0.00 C ATOM 1210 HA VAL A 72 -5.737 17.935 -3.685 1.00 0.00 H ATOM 1211 HB VAL A 72 -4.411 19.566 -1.485 1.00 0.00 H ATOM 1212 HG11 VAL A 72 -4.067 20.460 -3.731 1.00 0.00 H ATOM 1213 HG12 VAL A 72 -5.818 20.384 -4.045 1.00 0.00 H ATOM 1214 HG13 VAL A 72 -5.183 21.493 -2.805 1.00 0.00 H ATOM 1215 HG21 VAL A 72 -7.341 19.365 -2.242 1.00 0.00 H ATOM 1216 HG22 VAL A 72 -6.595 18.768 -0.740 1.00 0.00 H ATOM 1217 HG23 VAL A 72 -6.643 20.516 -1.077 1.00 0.00 H ATOM 1218 H VAL A 72 -5.480 17.213 -0.921 1.00 0.00 H ATOM 1219 N GLU A 73 -2.663 17.673 -2.499 1.00 0.00 N ATOM 1220 CA GLU A 73 -1.264 17.517 -2.874 1.00 0.00 C ATOM 1221 C GLU A 73 -1.054 16.200 -3.617 1.00 0.00 C ATOM 1222 O GLU A 73 -0.212 16.103 -4.510 1.00 0.00 O ATOM 1223 CB GLU A 73 -0.369 17.566 -1.634 1.00 0.00 C ATOM 1224 CG GLU A 73 1.079 17.911 -1.941 1.00 0.00 C ATOM 1225 CD GLU A 73 1.507 19.234 -1.337 1.00 0.00 C ATOM 1226 OE1 GLU A 73 1.167 20.288 -1.914 1.00 0.00 O ATOM 1227 OE2 GLU A 73 2.180 19.216 -0.285 1.00 0.00 O ATOM 1228 HA GLU A 73 -0.993 18.340 -3.535 1.00 0.00 H ATOM 1229 HB2 GLU A 73 -0.766 18.318 -0.952 1.00 0.00 H ATOM 1230 HB3 GLU A 73 -0.396 16.589 -1.151 1.00 0.00 H ATOM 1231 HG2 GLU A 73 1.717 17.123 -1.542 1.00 0.00 H ATOM 1232 HG3 GLU A 73 1.203 17.965 -3.023 1.00 0.00 H ATOM 1233 H GLU A 73 -2.930 17.598 -1.497 1.00 0.00 H ATOM 1234 N TYR A 74 -1.833 15.192 -3.240 1.00 0.00 N ATOM 1235 CA TYR A 74 -1.748 13.878 -3.865 1.00 0.00 C ATOM 1236 C TYR A 74 -2.276 13.930 -5.291 1.00 0.00 C ATOM 1237 O TYR A 74 -1.647 13.421 -6.218 1.00 0.00 O ATOM 1238 CB TYR A 74 -2.539 12.855 -3.043 1.00 0.00 C ATOM 1239 CG TYR A 74 -2.479 11.441 -3.581 1.00 0.00 C ATOM 1240 CD1 TYR A 74 -1.344 10.963 -4.224 1.00 0.00 C ATOM 1241 CD2 TYR A 74 -3.561 10.581 -3.435 1.00 0.00 C ATOM 1242 CE1 TYR A 74 -1.289 9.668 -4.709 1.00 0.00 C ATOM 1243 CE2 TYR A 74 -3.514 9.288 -3.915 1.00 0.00 C ATOM 1244 CZ TYR A 74 -2.378 8.834 -4.550 1.00 0.00 C ATOM 1245 OH TYR A 74 -2.328 7.544 -5.029 1.00 0.00 O ATOM 1246 HA TYR A 74 -0.702 13.574 -3.897 1.00 0.00 H ATOM 1247 HB3 TYR A 74 -3.583 13.168 -3.021 1.00 0.00 H ATOM 1248 HB2 TYR A 74 -2.141 12.851 -2.028 1.00 0.00 H ATOM 1249 HD2 TYR A 74 -4.462 10.934 -2.933 1.00 0.00 H ATOM 1250 HE2 TYR A 74 -4.373 8.628 -3.792 1.00 0.00 H ATOM 1251 HE1 TYR A 74 -0.392 9.309 -5.213 1.00 0.00 H ATOM 1252 HD1 TYR A 74 -0.482 11.619 -4.349 1.00 0.00 H ATOM 1253 HH TYR A 74 -3.046 7.414 -5.698 1.00 0.00 H ATOM 1254 H TYR A 74 -2.523 15.345 -2.477 1.00 0.00 H ATOM 1255 N ASP A 75 -3.433 14.558 -5.458 1.00 0.00 N ATOM 1256 CA ASP A 75 -4.047 14.691 -6.773 1.00 0.00 C ATOM 1257 C ASP A 75 -3.147 15.488 -7.707 1.00 0.00 C ATOM 1258 O ASP A 75 -3.048 15.188 -8.899 1.00 0.00 O ATOM 1259 CB ASP A 75 -5.413 15.369 -6.656 1.00 0.00 C ATOM 1260 CG ASP A 75 -6.438 14.777 -7.602 1.00 0.00 C ATOM 1261 OD1 ASP A 75 -6.030 14.152 -8.603 1.00 0.00 O ATOM 1262 OD2 ASP A 75 -7.649 14.936 -7.343 1.00 0.00 O ATOM 1263 HA ASP A 75 -4.183 13.693 -7.189 1.00 0.00 H ATOM 1264 HB2 ASP A 75 -5.774 15.255 -5.634 1.00 0.00 H ATOM 1265 HB3 ASP A 75 -5.298 16.429 -6.883 1.00 0.00 H ATOM 1266 H ASP A 75 -3.913 14.965 -4.630 1.00 0.00 H ATOM 1267 N GLN A 76 -2.486 16.504 -7.159 1.00 0.00 N ATOM 1268 CA GLN A 76 -1.588 17.344 -7.943 1.00 0.00 C ATOM 1269 C GLN A 76 -0.410 16.530 -8.469 1.00 0.00 C ATOM 1270 O GLN A 76 -0.041 16.639 -9.639 1.00 0.00 O ATOM 1271 CB GLN A 76 -1.079 18.512 -7.097 1.00 0.00 C ATOM 1272 CG GLN A 76 -2.085 19.642 -6.949 1.00 0.00 C ATOM 1273 CD GLN A 76 -1.451 21.011 -7.101 1.00 0.00 C ATOM 1274 OE1 GLN A 76 -1.020 21.392 -8.188 1.00 0.00 O ATOM 1275 NE2 GLN A 76 -1.391 21.759 -6.004 1.00 0.00 N ATOM 1276 HA GLN A 76 -2.145 17.738 -8.793 1.00 0.00 H ATOM 1277 HB2 GLN A 76 -0.834 18.137 -6.103 1.00 0.00 H ATOM 1278 HB3 GLN A 76 -0.179 18.911 -7.566 1.00 0.00 H ATOM 1279 HG2 GLN A 76 -2.855 19.527 -7.712 1.00 0.00 H ATOM 1280 HG3 GLN A 76 -2.542 19.576 -5.961 1.00 0.00 H ATOM 1281 HE22 GLN A 76 -1.768 21.396 -5.106 1.00 0.00 H ATOM 1282 HE21 GLN A 76 -0.967 22.708 -6.044 1.00 0.00 H ATOM 1283 H GLN A 76 -2.613 16.704 -6.146 1.00 0.00 H ATOM 1284 N LEU A 77 0.174 15.714 -7.596 1.00 0.00 N ATOM 1285 CA LEU A 77 1.308 14.879 -7.975 1.00 0.00 C ATOM 1286 C LEU A 77 0.897 13.843 -9.016 1.00 0.00 C ATOM 1287 O LEU A 77 1.677 13.496 -9.904 1.00 0.00 O ATOM 1288 CB LEU A 77 1.889 14.178 -6.744 1.00 0.00 C ATOM 1289 CG LEU A 77 2.388 15.113 -5.642 1.00 0.00 C ATOM 1290 CD1 LEU A 77 2.325 14.420 -4.289 1.00 0.00 C ATOM 1291 CD2 LEU A 77 3.806 15.576 -5.939 1.00 0.00 C ATOM 1292 HA LEU A 77 2.071 15.524 -8.411 1.00 0.00 H ATOM 1293 HB2 LEU A 77 1.113 13.540 -6.321 1.00 0.00 H ATOM 1294 HB3 LEU A 77 2.727 13.562 -7.070 1.00 0.00 H ATOM 1295 HG LEU A 77 1.740 15.989 -5.611 1.00 0.00 H ATOM 1296 HD21 LEU A 77 4.465 14.710 -5.995 1.00 0.00 H ATOM 1297 HD22 LEU A 77 3.821 16.108 -6.890 1.00 0.00 H ATOM 1298 HD23 LEU A 77 4.144 16.240 -5.144 1.00 0.00 H ATOM 1299 HD11 LEU A 77 1.294 14.137 -4.075 1.00 0.00 H ATOM 1300 HD12 LEU A 77 2.952 13.528 -4.309 1.00 0.00 H ATOM 1301 HD13 LEU A 77 2.684 15.100 -3.517 1.00 0.00 H ATOM 1302 H LEU A 77 -0.186 15.670 -6.621 1.00 0.00 H ATOM 1303 N THR A 78 -0.332 13.354 -8.900 1.00 0.00 N ATOM 1304 CA THR A 78 -0.851 12.357 -9.830 1.00 0.00 C ATOM 1305 C THR A 78 -1.252 13.001 -11.155 1.00 0.00 C ATOM 1306 O THR A 78 -1.576 14.189 -11.204 1.00 0.00 O ATOM 1307 CB THR A 78 -2.053 11.633 -9.220 1.00 0.00 C ATOM 1308 OG1 THR A 78 -3.205 12.454 -9.260 1.00 0.00 O ATOM 1309 CG2 THR A 78 -1.835 11.218 -7.782 1.00 0.00 C ATOM 1310 HA THR A 78 -0.059 11.634 -10.023 1.00 0.00 H ATOM 1311 HB THR A 78 -2.186 10.735 -9.824 1.00 0.00 H ATOM 1312 HG1 THR A 78 -3.036 13.283 -8.746 1.00 0.00 H ATOM 1313 HG23 THR A 78 -0.952 10.583 -7.718 1.00 0.00 H ATOM 1314 HG21 THR A 78 -1.690 12.106 -7.167 1.00 0.00 H ATOM 1315 HG22 THR A 78 -2.707 10.667 -7.428 1.00 0.00 H ATOM 1316 H THR A 78 -0.940 13.690 -8.126 1.00 0.00 H ATOM 1317 N PRO A 79 -1.236 12.225 -12.251 1.00 0.00 N ATOM 1318 CA PRO A 79 -1.601 12.724 -13.581 1.00 0.00 C ATOM 1319 C PRO A 79 -3.090 13.032 -13.695 1.00 0.00 C ATOM 1320 O PRO A 79 -3.841 12.290 -14.327 1.00 0.00 O ATOM 1321 CB PRO A 79 -1.218 11.571 -14.511 1.00 0.00 C ATOM 1322 CG PRO A 79 -1.281 10.356 -13.655 1.00 0.00 C ATOM 1323 CD PRO A 79 -0.862 10.798 -12.280 1.00 0.00 C ATOM 1324 HA PRO A 79 -1.099 13.662 -13.817 1.00 0.00 H ATOM 1325 HD3 PRO A 79 -1.395 10.239 -11.511 1.00 0.00 H ATOM 1326 HD2 PRO A 79 0.212 10.673 -12.140 1.00 0.00 H ATOM 1327 HG3 PRO A 79 -0.602 9.591 -14.031 1.00 0.00 H ATOM 1328 HG2 PRO A 79 -2.296 9.959 -13.633 1.00 0.00 H ATOM 1329 HB2 PRO A 79 -1.923 11.495 -15.339 1.00 0.00 H ATOM 1330 HB3 PRO A 79 -0.211 11.712 -14.904 1.00 0.00 H ATOM 1331 N ARG A 80 -3.510 14.133 -13.082 1.00 0.00 N ATOM 1332 CA ARG A 80 -4.911 14.540 -13.115 1.00 0.00 C ATOM 1333 C ARG A 80 -5.099 15.896 -12.444 1.00 0.00 C ATOM 1334 O ARG A 80 -4.367 16.249 -11.519 1.00 0.00 O ATOM 1335 CB ARG A 80 -5.785 13.489 -12.429 1.00 0.00 C ATOM 1336 CG ARG A 80 -7.137 13.292 -13.098 1.00 0.00 C ATOM 1337 CD ARG A 80 -7.809 12.012 -12.629 1.00 0.00 C ATOM 1338 NE ARG A 80 -7.484 10.875 -13.488 1.00 0.00 N ATOM 1339 CZ ARG A 80 -7.898 10.756 -14.746 1.00 0.00 C ATOM 1340 NH1 ARG A 80 -8.651 11.699 -15.298 1.00 0.00 N ATOM 1341 NH2 ARG A 80 -7.558 9.689 -15.457 1.00 0.00 N ATOM 1342 HA ARG A 80 -5.215 14.628 -14.158 1.00 0.00 H ATOM 1343 HB2 ARG A 80 -5.253 12.538 -12.439 1.00 0.00 H ATOM 1344 HB3 ARG A 80 -5.952 13.799 -11.398 1.00 0.00 H ATOM 1345 HG2 ARG A 80 -7.779 14.139 -12.856 1.00 0.00 H ATOM 1346 HG3 ARG A 80 -6.995 13.243 -14.178 1.00 0.00 H ATOM 1347 HD2 ARG A 80 -8.889 12.159 -12.634 1.00 0.00 H ATOM 1348 HD3 ARG A 80 -7.478 11.792 -11.614 1.00 0.00 H ATOM 1349 HE ARG A 80 -6.895 10.115 -13.092 1.00 0.00 H ATOM 1350 HH12 ARG A 80 -8.971 11.599 -16.282 1.00 0.00 H ATOM 1351 HH11 ARG A 80 -8.921 12.538 -14.746 1.00 0.00 H ATOM 1352 HH22 ARG A 80 -7.881 9.595 -16.441 1.00 0.00 H ATOM 1353 HH21 ARG A 80 -6.968 8.946 -15.030 1.00 0.00 H ATOM 1354 H ARG A 80 -2.823 14.719 -12.566 1.00 0.00 H TER 1355 ARG A 80 HETATM 1356 N GLY A 1 -10.376 9.695 11.086 1.00 0.24 N HETATM 1357 CA GLY A 1 -10.321 8.394 11.728 1.00 0.05 C HETATM 1358 C GLY A 1 -9.220 7.510 11.171 1.00 0.22 C HETATM 1359 O GLY A 1 -9.217 6.300 11.393 1.00 -0.39 O HETATM 1360 N GLY A 1 -8.283 8.115 10.445 1.00 -0.26 N HETATM 1361 CA GLY A 1 -7.173 7.371 9.857 1.00 0.15 C HETATM 1362 C GLY A 1 -7.679 6.241 8.968 1.00 0.21 C HETATM 1363 O GLY A 1 -7.772 5.092 9.402 1.00 -0.39 O HETATM 1364 N GLY A 1 -8.002 6.572 7.723 1.00 -0.26 N HETATM 1365 CA GLY A 1 -8.496 5.582 6.772 1.00 0.13 C HETATM 1366 C GLY A 1 -7.372 4.654 6.322 1.00 0.20 C HETATM 1367 O GLY A 1 -7.561 3.443 6.194 1.00 -0.39 O HETATM 1368 N GLY A 1 -6.196 5.228 6.088 1.00 -0.26 N HETATM 1369 CA GLY A 1 -5.040 4.449 5.658 1.00 0.13 C HETATM 1370 C GLY A 1 -4.759 3.320 6.641 1.00 0.20 C HETATM 1371 O GLY A 1 -4.655 2.156 6.252 1.00 -0.39 O HETATM 1372 N GLY A 1 -4.643 3.673 7.918 1.00 -0.26 N HETATM 1373 CA GLY A 1 -4.378 2.694 8.967 1.00 0.13 C HETATM 1374 C GLY A 1 -5.441 1.599 8.978 1.00 0.20 C HETATM 1375 O GLY A 1 -5.151 0.444 9.288 1.00 -0.39 O HETATM 1376 N GLY A 1 -6.671 1.969 8.639 1.00 -0.26 N HETATM 1377 CA GLY A 1 -7.775 1.015 8.613 1.00 0.13 C HETATM 1378 C GLY A 1 -7.547 -0.057 7.555 1.00 0.20 C HETATM 1379 O GLY A 1 -7.807 -1.237 7.786 1.00 -0.39 O HETATM 1380 N GLY A 1 -7.066 0.361 6.390 1.00 -0.26 N HETATM 1381 CA GLY A 1 -6.814 -0.570 5.296 1.00 0.13 C HETATM 1382 C GLY A 1 -5.648 -1.501 5.619 1.00 0.20 C HETATM 1383 O GLY A 1 -5.670 -2.681 5.264 1.00 -0.39 O HETATM 1384 N GLY A 1 -4.635 -0.974 6.303 1.00 -0.26 N HETATM 1385 CA GLY A 1 -3.475 -1.782 6.675 1.00 0.13 C HETATM 1386 C GLY A 1 -3.892 -2.901 7.622 1.00 0.20 C HETATM 1387 O GLY A 1 -3.496 -4.054 7.454 1.00 -0.39 O HETATM 1388 N GLY A 1 -4.700 -2.548 8.616 1.00 -0.26 N HETATM 1389 CA GLY A 1 -5.181 -3.518 9.592 1.00 0.13 C HETATM 1390 C GLY A 1 -6.090 -4.544 8.926 1.00 0.20 C HETATM 1391 O GLY A 1 -6.085 -5.720 9.287 1.00 -0.39 O HETATM 1392 N GLY A 1 -6.867 -4.089 7.950 1.00 -0.26 N HETATM 1393 CA GLY A 1 -7.780 -4.967 7.228 1.00 0.14 C HETATM 1394 C GLY A 1 -7.009 -6.077 6.526 1.00 0.21 C HETATM 1395 O GLY A 1 -7.427 -7.235 6.521 1.00 -0.39 O HETATM 1396 N GLY A 1 -5.877 -5.714 5.936 1.00 -0.26 N HETATM 1397 CA GLY A 1 -5.036 -6.674 5.233 1.00 0.14 C HETATM 1398 C GLY A 1 -4.407 -7.658 6.212 1.00 0.21 C HETATM 1399 O GLY A 1 -4.527 -8.876 6.057 1.00 -0.39 O HETATM 1400 N GLY A 1 -3.741 -7.118 7.226 1.00 -0.26 N HETATM 1401 CA GLY A 1 -3.089 -7.937 8.241 1.00 0.13 C HETATM 1402 C GLY A 1 -4.055 -8.971 8.808 1.00 0.20 C HETATM 1403 O GLY A 1 -3.671 -10.105 9.090 1.00 -0.39 O HETATM 1404 N GLY A 1 -5.313 -8.573 8.960 1.00 -0.26 N HETATM 1405 CA GLY A 1 -6.333 -9.472 9.480 1.00 0.13 C HETATM 1406 C GLY A 1 -6.772 -10.453 8.405 1.00 0.20 C HETATM 1407 O GLY A 1 -7.027 -11.624 8.684 1.00 -0.39 O HETATM 1408 N GLY A 1 -6.834 -9.971 7.171 1.00 -0.26 N HETATM 1409 CA GLY A 1 -7.218 -10.812 6.050 1.00 0.13 C HETATM 1410 C GLY A 1 -6.134 -11.852 5.773 1.00 0.20 C HETATM 1411 O GLY A 1 -6.352 -12.804 5.021 1.00 -0.39 O HETATM 1412 N GLY A 1 -4.964 -11.667 6.386 1.00 -0.26 N HETATM 1413 CA GLY A 1 -3.852 -12.595 6.205 1.00 0.13 C HETATM 1414 C GLY A 1 -4.045 -13.844 7.058 1.00 0.20 C HETATM 1415 O GLY A 1 -4.420 -14.903 6.554 1.00 -0.39 O HETATM 1416 N GLY A 1 -3.785 -13.710 8.352 1.00 -0.27 N HETATM 1417 CA GLY A 1 -3.928 -14.824 9.283 1.00 0.09 C HETATM 1418 C GLY A 1 -3.032 -15.992 8.878 1.00 0.06 C HETATM 1419 O GLY A 1 -2.340 -15.873 7.844 1.00 -0.57 O HETATM 1420 OXT GLY A 1 -3.031 -17.013 9.596 1.00 -0.57 O HETATM 1421 CB GLY A 1 -5.388 -15.278 9.348 1.00 -0.02 C HETATM 1422 CG GLY A 1 -6.066 -14.958 10.670 1.00 -0.04 C HETATM 1423 CD GLY A 1 -7.401 -15.672 10.799 1.00 -0.01 C HETATM 1424 CE GLY A 1 -8.406 -14.839 11.579 1.00 -0.04 C HETATM 1425 NZ GLY A 1 -8.826 -13.627 10.824 1.00 0.22 N HETATM 1426 H GLY A 1 -9.498 -13.098 11.380 1.00 0.20 H HETATM 1427 H GLY A 1 -8.009 -13.047 10.633 1.00 0.20 H HETATM 1428 H GLY A 1 -9.258 -13.909 9.944 1.00 0.20 H HETATM 1429 H GLY A 1 -7.936 -14.517 12.508 1.00 0.08 H HETATM 1430 H GLY A 1 -9.289 -15.451 11.762 1.00 0.08 H HETATM 1431 H GLY A 1 -7.241 -16.609 11.333 1.00 0.03 H HETATM 1432 H GLY A 1 -7.798 -15.845 9.799 1.00 0.03 H HETATM 1433 H GLY A 1 -6.244 -13.883 10.716 1.00 0.03 H HETATM 1434 H GLY A 1 -5.417 -15.291 11.480 1.00 0.03 H HETATM 1435 H GLY A 1 -5.399 -16.361 9.229 1.00 0.03 H HETATM 1436 H GLY A 1 -5.931 -14.748 8.566 1.00 0.03 H HETATM 1437 H GLY A 1 -3.619 -14.482 10.271 1.00 0.07 H HETATM 1438 H GLY A 1 -3.477 -12.804 8.705 1.00 0.19 H HETATM 1439 CB GLY A 1 -2.526 -11.919 6.562 1.00 -0.01 C HETATM 1440 CG GLY A 1 -2.071 -10.877 5.549 1.00 -0.04 C HETATM 1441 CD GLY A 1 -2.155 -11.400 4.124 1.00 -0.01 C HETATM 1442 CE GLY A 1 -1.073 -10.794 3.242 1.00 -0.04 C HETATM 1443 NZ GLY A 1 -0.988 -11.474 1.921 1.00 0.22 N HETATM 1444 H GLY A 1 -0.254 -11.039 1.363 1.00 0.20 H HETATM 1445 H GLY A 1 -0.771 -12.461 2.061 1.00 0.20 H HETATM 1446 H GLY A 1 -1.881 -11.387 1.437 1.00 0.20 H HETATM 1447 H GLY A 1 -0.115 -10.910 3.748 1.00 0.08 H HETATM 1448 H GLY A 1 -1.319 -9.746 3.071 1.00 0.08 H HETATM 1449 H GLY A 1 -3.127 -11.128 3.713 1.00 0.03 H HETATM 1450 H GLY A 1 -2.018 -12.481 4.145 1.00 0.03 H HETATM 1451 H GLY A 1 -1.032 -10.625 5.761 1.00 0.03 H HETATM 1452 H GLY A 1 -2.724 -10.008 5.634 1.00 0.03 H HETATM 1453 H GLY A 1 -1.763 -12.697 6.591 1.00 0.03 H HETATM 1454 H GLY A 1 -2.670 -11.405 7.513 1.00 0.03 H HETATM 1455 H GLY A 1 -3.827 -12.890 5.156 1.00 0.08 H HETATM 1456 H GLY A 1 -4.843 -10.858 6.995 1.00 0.19 H HETATM 1457 CB GLY A 1 -7.465 -9.960 4.801 1.00 -0.01 C HETATM 1458 CG GLY A 1 -8.924 -9.891 4.345 1.00 -0.04 C HETATM 1459 CD1 GLY A 1 -9.610 -8.668 4.932 1.00 -0.06 C HETATM 1460 H GLY A 1 -9.582 -8.724 6.020 1.00 0.02 H HETATM 1461 H GLY A 1 -9.092 -7.768 4.600 1.00 0.02 H HETATM 1462 H GLY A 1 -10.646 -8.638 4.596 1.00 0.02 H HETATM 1463 CD2 GLY A 1 -9.009 -9.877 2.825 1.00 -0.06 C HETATM 1464 H GLY A 1 -8.476 -9.007 2.441 1.00 0.02 H HETATM 1465 H GLY A 1 -8.557 -10.786 2.429 1.00 0.02 H HETATM 1466 H GLY A 1 -10.055 -9.828 2.521 1.00 0.02 H HETATM 1467 H GLY A 1 -9.440 -10.780 4.708 1.00 0.03 H HETATM 1468 H GLY A 1 -6.902 -10.421 3.989 1.00 0.03 H HETATM 1469 H GLY A 1 -7.164 -8.942 5.049 1.00 0.03 H HETATM 1470 H GLY A 1 -8.143 -11.329 6.306 1.00 0.08 H HETATM 1471 H GLY A 1 -6.608 -8.990 7.005 1.00 0.19 H HETATM 1472 CB GLY A 1 -7.536 -8.681 9.999 1.00 -0.01 C HETATM 1473 CG GLY A 1 -7.421 -8.285 11.461 1.00 -0.02 C HETATM 1474 CD GLY A 1 -7.463 -9.501 12.372 1.00 0.06 C HETATM 1475 NE GLY A 1 -7.557 -9.127 13.783 1.00 -0.27 N HETATM 1476 CZ GLY A 1 -8.687 -8.742 14.374 1.00 0.29 C HETATM 1477 NH1 GLY A 1 -9.818 -8.685 13.683 1.00 -0.28 N HETATM 1478 H GLY A 1 -9.825 -8.937 12.694 1.00 0.26 H HETATM 1479 H GLY A 1 -10.681 -8.390 14.140 1.00 0.26 H HETATM 1480 NH2 GLY A 1 -8.684 -8.418 15.659 1.00 -0.28 N HETATM 1481 H GLY A 1 -7.817 -8.464 16.194 1.00 0.26 H HETATM 1482 H GLY A 1 -9.549 -8.123 16.113 1.00 0.26 H HETATM 1483 H GLY A 1 -6.708 -9.163 14.347 1.00 0.26 H HETATM 1484 H GLY A 1 -6.541 -10.065 12.230 1.00 0.07 H HETATM 1485 H GLY A 1 -8.345 -10.088 12.116 1.00 0.07 H HETATM 1486 H GLY A 1 -8.261 -7.637 11.711 1.00 0.03 H HETATM 1487 H GLY A 1 -6.468 -7.777 11.607 1.00 0.03 H HETATM 1488 H GLY A 1 -8.413 -9.321 9.902 1.00 0.03 H HETATM 1489 H GLY A 1 -7.598 -7.762 9.416 1.00 0.03 H HETATM 1490 H GLY A 1 -5.904 -10.032 10.311 1.00 0.08 H HETATM 1491 H GLY A 1 -5.569 -7.619 8.707 1.00 0.19 H HETATM 1492 CB GLY A 1 -2.545 -7.057 9.368 1.00 -0.01 C HETATM 1493 CG GLY A 1 -1.219 -6.359 9.060 1.00 -0.04 C HETATM 1494 CD1 GLY A 1 -1.042 -5.136 9.947 1.00 -0.06 C HETATM 1495 H GLY A 1 -1.860 -4.438 9.769 1.00 0.02 H HETATM 1496 H GLY A 1 -1.046 -5.444 10.993 1.00 0.02 H HETATM 1497 H GLY A 1 -0.093 -4.653 9.713 1.00 0.02 H HETATM 1498 CD2 GLY A 1 -0.057 -7.324 9.240 1.00 -0.06 C HETATM 1499 H GLY A 1 -0.040 -7.682 10.270 1.00 0.02 H HETATM 1500 H GLY A 1 -0.180 -8.169 8.562 1.00 0.02 H HETATM 1501 H GLY A 1 0.878 -6.810 9.017 1.00 0.02 H HETATM 1502 H GLY A 1 -1.234 -6.029 8.021 1.00 0.03 H HETATM 1503 H GLY A 1 -2.365 -7.712 10.220 1.00 0.03 H HETATM 1504 H GLY A 1 -3.282 -6.272 9.538 1.00 0.03 H HETATM 1505 H GLY A 1 -2.259 -8.462 7.769 1.00 0.08 H HETATM 1506 H GLY A 1 -3.684 -6.102 7.297 1.00 0.19 H HETATM 1507 CB GLY A 1 -3.942 -5.945 4.448 1.00 0.02 C HETATM 1508 CG GLY A 1 -4.148 -5.972 2.951 1.00 -0.05 C HETATM 1509 CD1 GLY A 1 -4.118 -7.169 2.248 1.00 -0.07 C HETATM 1510 CE1 GLY A 1 -4.305 -7.198 0.879 1.00 -0.04 C HETATM 1511 CZ GLY A 1 -4.527 -6.020 0.195 1.00 0.08 C HETATM 1512 CE2 GLY A 1 -4.563 -4.819 0.872 1.00 -0.04 C HETATM 1513 CD2 GLY A 1 -4.374 -4.799 2.240 1.00 -0.07 C HETATM 1514 H GLY A 1 -4.402 -3.848 2.771 1.00 0.05 H HETATM 1515 H GLY A 1 -4.740 -3.890 0.330 1.00 0.05 H HETATM 1516 OH GLY A 1 -4.714 -6.044 -1.168 1.00 -0.34 O HETATM 1517 H GLY A 1 -4.659 -6.950 -1.482 1.00 0.25 H HETATM 1518 H GLY A 1 -4.277 -8.146 0.342 1.00 0.05 H HETATM 1519 H GLY A 1 -3.944 -8.101 2.785 1.00 0.05 H HETATM 1520 H GLY A 1 -2.999 -6.451 4.657 1.00 0.05 H HETATM 1521 H GLY A 1 -3.957 -4.901 4.760 1.00 0.05 H HETATM 1522 H GLY A 1 -5.662 -7.231 4.536 1.00 0.08 H HETATM 1523 H GLY A 1 -5.588 -4.737 5.976 1.00 0.19 H HETATM 1524 CB GLY A 1 -8.593 -4.168 6.207 1.00 0.04 C HETATM 1525 CG GLY A 1 -9.872 -3.607 6.797 1.00 0.04 C HETATM 1526 OD1 GLY A 1 -10.434 -4.246 7.711 1.00 -0.57 O HETATM 1527 OD2 GLY A 1 -10.312 -2.530 6.344 1.00 -0.57 O HETATM 1528 H GLY A 1 -8.864 -4.840 5.392 1.00 0.05 H HETATM 1529 H GLY A 1 -7.982 -3.331 5.870 1.00 0.05 H HETATM 1530 H GLY A 1 -8.464 -5.417 7.948 1.00 0.08 H HETATM 1531 H GLY A 1 -6.824 -3.101 7.699 1.00 0.19 H HETATM 1532 CB GLY A 1 -5.929 -2.810 10.723 1.00 -0.00 C HETATM 1533 CG GLY A 1 -6.090 -3.664 11.971 1.00 0.00 C HETATM 1534 CD GLY A 1 -4.933 -3.507 12.938 1.00 0.04 C HETATM 1535 OE1 GLY A 1 -3.861 -4.096 12.682 1.00 -0.57 O HETATM 1536 OE2 GLY A 1 -5.099 -2.797 13.952 1.00 -0.57 O HETATM 1537 H GLY A 1 -6.128 -4.708 11.660 1.00 0.04 H HETATM 1538 H GLY A 1 -6.999 -3.345 12.481 1.00 0.04 H HETATM 1539 H GLY A 1 -6.928 -2.573 10.357 1.00 0.03 H HETATM 1540 H GLY A 1 -5.348 -1.931 11.000 1.00 0.03 H HETATM 1541 H GLY A 1 -4.319 -4.037 10.011 1.00 0.08 H HETATM 1542 H GLY A 1 -4.991 -1.574 8.698 1.00 0.19 H HETATM 1543 CB GLY A 1 -2.386 -0.929 7.340 1.00 -0.01 C HETATM 1544 CG GLY A 1 -2.319 0.532 6.892 1.00 -0.04 C HETATM 1545 CD1 GLY A 1 -1.083 1.209 7.467 1.00 -0.06 C HETATM 1546 H GLY A 1 -1.124 1.173 8.556 1.00 0.02 H HETATM 1547 H GLY A 1 -0.190 0.690 7.118 1.00 0.02 H HETATM 1548 H GLY A 1 -1.053 2.248 7.137 1.00 0.02 H HETATM 1549 CD2 GLY A 1 -2.324 0.630 5.373 1.00 -0.06 C HETATM 1550 H GLY A 1 -1.461 0.098 4.973 1.00 0.02 H HETATM 1551 H GLY A 1 -3.239 0.183 4.984 1.00 0.02 H HETATM 1552 H GLY A 1 -2.276 1.678 5.078 1.00 0.02 H HETATM 1553 H GLY A 1 -3.202 1.047 7.270 1.00 0.03 H HETATM 1554 H GLY A 1 -1.432 -1.379 7.066 1.00 0.03 H HETATM 1555 H GLY A 1 -2.614 -0.914 8.406 1.00 0.03 H HETATM 1556 H GLY A 1 -3.066 -2.210 5.760 1.00 0.08 H HETATM 1557 H GLY A 1 -4.669 0.009 6.572 1.00 0.19 H HETATM 1558 CB GLY A 1 -6.535 0.164 3.969 1.00 -0.01 C HETATM 1559 CG1 GLY A 1 -6.455 -0.827 2.818 1.00 -0.06 C HETATM 1560 H GLY A 1 -5.649 -1.537 3.007 1.00 0.02 H HETATM 1561 H GLY A 1 -7.401 -1.363 2.735 1.00 0.02 H HETATM 1562 H GLY A 1 -6.258 -0.289 1.891 1.00 0.02 H HETATM 1563 CG2 GLY A 1 -7.608 1.208 3.705 1.00 -0.06 C HETATM 1564 H GLY A 1 -8.581 0.720 3.644 1.00 0.02 H HETATM 1565 H GLY A 1 -7.615 1.934 4.518 1.00 0.02 H HETATM 1566 H GLY A 1 -7.395 1.716 2.764 1.00 0.02 H HETATM 1567 H GLY A 1 -5.574 0.672 4.049 1.00 0.03 H HETATM 1568 H GLY A 1 -7.721 -1.163 5.177 1.00 0.08 H HETATM 1569 H GLY A 1 -6.869 1.353 6.258 1.00 0.19 H HETATM 1570 CB GLY A 1 -9.100 1.733 8.350 1.00 -0.00 C HETATM 1571 CG GLY A 1 -9.644 2.472 9.562 1.00 0.00 C HETATM 1572 CD GLY A 1 -9.873 1.556 10.749 1.00 0.04 C HETATM 1573 OE1 GLY A 1 -9.989 0.330 10.539 1.00 -0.57 O HETATM 1574 OE2 GLY A 1 -9.936 2.064 11.888 1.00 -0.57 O HETATM 1575 H GLY A 1 -10.603 2.909 9.286 1.00 0.04 H HETATM 1576 H GLY A 1 -8.910 3.223 9.854 1.00 0.04 H HETATM 1577 H GLY A 1 -9.833 0.975 8.074 1.00 0.03 H HETATM 1578 H GLY A 1 -8.921 2.473 7.570 1.00 0.03 H HETATM 1579 H GLY A 1 -7.821 0.533 9.589 1.00 0.08 H HETATM 1580 H GLY A 1 -6.848 2.942 8.391 1.00 0.19 H HETATM 1581 CB GLY A 1 -4.329 3.383 10.333 1.00 -0.01 C HETATM 1582 CG GLY A 1 -3.689 2.535 11.419 1.00 -0.04 C HETATM 1583 CD GLY A 1 -4.734 1.940 12.351 1.00 -0.01 C HETATM 1584 CE GLY A 1 -5.279 2.982 13.313 1.00 -0.04 C HETATM 1585 NZ GLY A 1 -4.491 3.039 14.576 1.00 0.22 N HETATM 1586 H GLY A 1 -4.889 3.748 15.192 1.00 0.20 H HETATM 1587 H GLY A 1 -4.524 2.130 15.037 1.00 0.20 H HETATM 1588 H GLY A 1 -3.523 3.278 14.361 1.00 0.20 H HETATM 1589 H GLY A 1 -6.305 2.713 13.563 1.00 0.08 H HETATM 1590 H GLY A 1 -5.220 3.957 12.829 1.00 0.08 H HETATM 1591 H GLY A 1 -4.266 1.145 12.932 1.00 0.03 H HETATM 1592 H GLY A 1 -5.559 1.561 11.748 1.00 0.03 H HETATM 1593 H GLY A 1 -3.025 3.170 12.006 1.00 0.03 H HETATM 1594 H GLY A 1 -3.146 1.718 10.944 1.00 0.03 H HETATM 1595 H GLY A 1 -5.357 3.581 10.636 1.00 0.03 H HETATM 1596 H GLY A 1 -3.725 4.284 10.223 1.00 0.03 H HETATM 1597 H GLY A 1 -3.412 2.233 8.761 1.00 0.08 H HETATM 1598 H GLY A 1 -4.742 4.656 8.171 1.00 0.19 H HETATM 1599 CB GLY A 1 -3.810 5.350 5.531 1.00 -0.01 C HETATM 1600 CG GLY A 1 -2.551 4.656 5.006 1.00 -0.04 C HETATM 1601 CD1 GLY A 1 -2.549 4.638 3.485 1.00 -0.06 C HETATM 1602 H GLY A 1 -3.427 4.099 3.128 1.00 0.02 H HETATM 1603 H GLY A 1 -2.573 5.662 3.111 1.00 0.02 H HETATM 1604 H GLY A 1 -1.646 4.141 3.130 1.00 0.02 H HETATM 1605 CD2 GLY A 1 -1.301 5.346 5.535 1.00 -0.06 C HETATM 1606 H GLY A 1 -1.295 6.386 5.208 1.00 0.02 H HETATM 1607 H GLY A 1 -1.299 5.307 6.624 1.00 0.02 H HETATM 1608 H GLY A 1 -0.417 4.838 5.151 1.00 0.02 H HETATM 1609 H GLY A 1 -2.551 3.626 5.362 1.00 0.03 H HETATM 1610 H GLY A 1 -3.577 5.708 6.534 1.00 0.03 H HETATM 1611 H GLY A 1 -4.063 6.129 4.811 1.00 0.03 H HETATM 1612 H GLY A 1 -5.263 4.015 4.683 1.00 0.08 H HETATM 1613 H GLY A 1 -6.100 6.236 6.212 1.00 0.19 H HETATM 1614 CB GLY A 1 -9.119 6.277 5.560 1.00 -0.01 C HETATM 1615 CG GLY A 1 -10.611 6.584 5.689 1.00 -0.04 C HETATM 1616 CD1 GLY A 1 -11.040 7.600 4.643 1.00 -0.06 C HETATM 1617 H GLY A 1 -10.476 8.522 4.781 1.00 0.02 H HETATM 1618 H GLY A 1 -10.846 7.199 3.648 1.00 0.02 H HETATM 1619 H GLY A 1 -12.105 7.804 4.752 1.00 0.02 H HETATM 1620 CD2 GLY A 1 -11.430 5.307 5.561 1.00 -0.06 C HETATM 1621 H GLY A 1 -11.244 4.853 4.588 1.00 0.02 H HETATM 1622 H GLY A 1 -11.141 4.611 6.349 1.00 0.02 H HETATM 1623 H GLY A 1 -12.489 5.545 5.655 1.00 0.02 H HETATM 1624 H GLY A 1 -10.790 7.011 6.676 1.00 0.03 H HETATM 1625 H GLY A 1 -9.009 5.596 4.716 1.00 0.03 H HETATM 1626 H GLY A 1 -8.609 7.234 5.449 1.00 0.03 H HETATM 1627 H GLY A 1 -9.259 4.983 7.269 1.00 0.08 H HETATM 1628 H GLY A 1 -7.902 7.542 7.424 1.00 0.19 H HETATM 1629 CB GLY A 1 -6.273 6.807 10.957 1.00 0.08 C HETATM 1630 OG GLY A 1 -4.907 6.868 10.581 1.00 -0.39 O HETATM 1631 H GLY A 1 -4.365 6.509 11.287 1.00 0.21 H HETATM 1632 H GLY A 1 -6.542 5.764 11.127 1.00 0.06 H HETATM 1633 H GLY A 1 -6.413 7.401 11.860 1.00 0.06 H HETATM 1634 H GLY A 1 -6.596 8.059 9.239 1.00 0.08 H HETATM 1635 H GLY A 1 -8.342 9.122 10.296 1.00 0.19 H HETATM 1636 H GLY A 1 -11.273 7.894 11.551 1.00 0.11 H HETATM 1637 H GLY A 1 -10.118 8.553 12.787 1.00 0.11 H HETATM 1638 H GLY A 1 -11.130 10.244 11.498 1.00 0.20 H HETATM 1639 H GLY A 1 -9.488 10.178 11.223 1.00 0.20 H HETATM 1640 H GLY A 1 -10.548 9.573 10.088 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1356 1357 1638 1639 1640 CONECT 1357 1356 1358 1636 1637 CONECT 1358 1357 1359 1360 CONECT 1359 1358 CONECT 1360 1358 1361 1635 CONECT 1361 1360 1362 1629 1634 CONECT 1362 1361 1363 1364 CONECT 1363 1362 CONECT 1364 1362 1365 1628 CONECT 1365 1364 1366 1614 1627 CONECT 1366 1365 1367 1368 CONECT 1367 1366 CONECT 1368 1366 1369 1613 CONECT 1369 1368 1370 1599 1612 CONECT 1370 1369 1371 1372 CONECT 1371 1370 CONECT 1372 1370 1373 1598 CONECT 1373 1372 1374 1581 1597 CONECT 1374 1373 1375 1376 CONECT 1375 1374 CONECT 1376 1374 1377 1580 CONECT 1377 1376 1378 1570 1579 CONECT 1378 1377 1379 1380 CONECT 1379 1378 CONECT 1380 1378 1381 1569 CONECT 1381 1380 1382 1558 1568 CONECT 1382 1381 1383 1384 CONECT 1383 1382 CONECT 1384 1382 1385 1557 CONECT 1385 1384 1386 1543 1556 CONECT 1386 1385 1387 1388 CONECT 1387 1386 CONECT 1388 1386 1389 1542 CONECT 1389 1388 1390 1532 1541 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1531 CONECT 1393 1392 1394 1524 1530 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1523 CONECT 1397 1396 1398 1507 1522 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1506 CONECT 1401 1400 1402 1492 1505 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1491 CONECT 1405 1404 1406 1472 1490 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1471 CONECT 1409 1408 1410 1457 1470 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1456 CONECT 1413 1412 1414 1439 1455 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 1417 1438 CONECT 1417 1416 1418 1421 1437 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 CONECT 1421 1417 1422 1435 1436 CONECT 1422 1421 1423 1433 1434 CONECT 1423 1422 1424 1431 1432 CONECT 1424 1423 1425 1429 1430 CONECT 1425 1424 1426 1427 1428 CONECT 1426 1425 CONECT 1427 1425 CONECT 1428 1425 CONECT 1429 1424 CONECT 1430 1424 CONECT 1431 1423 CONECT 1432 1423 CONECT 1433 1422 CONECT 1434 1422 CONECT 1435 1421 CONECT 1436 1421 CONECT 1437 1417 CONECT 1438 1416 CONECT 1439 1413 1440 1453 1454 CONECT 1440 1439 1441 1451 1452 CONECT 1441 1440 1442 1449 1450 CONECT 1442 1441 1443 1447 1448 CONECT 1443 1442 1444 1445 1446 CONECT 1444 1443 CONECT 1445 1443 CONECT 1446 1443 CONECT 1447 1442 CONECT 1448 1442 CONECT 1449 1441 CONECT 1450 1441 CONECT 1451 1440 CONECT 1452 1440 CONECT 1453 1439 CONECT 1454 1439 CONECT 1455 1413 CONECT 1456 1412 CONECT 1457 1409 1458 1468 1469 CONECT 1458 1457 1459 1463 1467 CONECT 1459 1458 1460 1461 1462 CONECT 1460 1459 CONECT 1461 1459 CONECT 1462 1459 CONECT 1463 1458 1464 1465 1466 CONECT 1464 1463 CONECT 1465 1463 CONECT 1466 1463 CONECT 1467 1458 CONECT 1468 1457 CONECT 1469 1457 CONECT 1470 1409 CONECT 1471 1408 CONECT 1472 1405 1473 1488 1489 CONECT 1473 1472 1474 1486 1487 CONECT 1474 1473 1475 1484 1485 CONECT 1475 1474 1476 1483 CONECT 1476 1475 1477 1480 CONECT 1477 1476 1478 1479 CONECT 1478 1477 CONECT 1479 1477 CONECT 1480 1476 1481 1482 CONECT 1481 1480 CONECT 1482 1480 CONECT 1483 1475 CONECT 1484 1474 CONECT 1485 1474 CONECT 1486 1473 CONECT 1487 1473 CONECT 1488 1472 CONECT 1489 1472 CONECT 1490 1405 CONECT 1491 1404 CONECT 1492 1401 1493 1503 1504 CONECT 1493 1492 1494 1498 1502 CONECT 1494 1493 1495 1496 1497 CONECT 1495 1494 CONECT 1496 1494 CONECT 1497 1494 CONECT 1498 1493 1499 1500 1501 CONECT 1499 1498 CONECT 1500 1498 CONECT 1501 1498 CONECT 1502 1493 CONECT 1503 1492 CONECT 1504 1492 CONECT 1505 1401 CONECT 1506 1400 CONECT 1507 1397 1508 1520 1521 CONECT 1508 1507 1509 1513 CONECT 1509 1508 1510 1519 CONECT 1510 1509 1511 1518 CONECT 1511 1510 1512 1516 CONECT 1512 1511 1513 1515 CONECT 1513 1508 1512 1514 CONECT 1514 1513 CONECT 1515 1512 CONECT 1516 1511 1517 CONECT 1517 1516 CONECT 1518 1510 CONECT 1519 1509 CONECT 1520 1507 CONECT 1521 1507 CONECT 1522 1397 CONECT 1523 1396 CONECT 1524 1393 1525 1528 1529 CONECT 1525 1524 1526 1527 CONECT 1526 1525 CONECT 1527 1525 CONECT 1528 1524 CONECT 1529 1524 CONECT 1530 1393 CONECT 1531 1392 CONECT 1532 1389 1533 1539 1540 CONECT 1533 1532 1534 1537 1538 CONECT 1534 1533 1535 1536 CONECT 1535 1534 CONECT 1536 1534 CONECT 1537 1533 CONECT 1538 1533 CONECT 1539 1532 CONECT 1540 1532 CONECT 1541 1389 CONECT 1542 1388 CONECT 1543 1385 1544 1554 1555 CONECT 1544 1543 1545 1549 1553 CONECT 1545 1544 1546 1547 1548 CONECT 1546 1545 CONECT 1547 1545 CONECT 1548 1545 CONECT 1549 1544 1550 1551 1552 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1549 CONECT 1553 1544 CONECT 1554 1543 CONECT 1555 1543 CONECT 1556 1385 CONECT 1557 1384 CONECT 1558 1381 1559 1563 1567 CONECT 1559 1558 1560 1561 1562 CONECT 1560 1559 CONECT 1561 1559 CONECT 1562 1559 CONECT 1563 1558 1564 1565 1566 CONECT 1564 1563 CONECT 1565 1563 CONECT 1566 1563 CONECT 1567 1558 CONECT 1568 1381 CONECT 1569 1380 CONECT 1570 1377 1571 1577 1578 CONECT 1571 1570 1572 1575 1576 CONECT 1572 1571 1573 1574 CONECT 1573 1572 CONECT 1574 1572 CONECT 1575 1571 CONECT 1576 1571 CONECT 1577 1570 CONECT 1578 1570 CONECT 1579 1377 CONECT 1580 1376 CONECT 1581 1373 1582 1595 1596 CONECT 1582 1581 1583 1593 1594 CONECT 1583 1582 1584 1591 1592 CONECT 1584 1583 1585 1589 1590 CONECT 1585 1584 1586 1587 1588 CONECT 1586 1585 CONECT 1587 1585 CONECT 1588 1585 CONECT 1589 1584 CONECT 1590 1584 CONECT 1591 1583 CONECT 1592 1583 CONECT 1593 1582 CONECT 1594 1582 CONECT 1595 1581 CONECT 1596 1581 CONECT 1597 1373 CONECT 1598 1372 CONECT 1599 1369 1600 1610 1611 CONECT 1600 1599 1601 1605 1609 CONECT 1601 1600 1602 1603 1604 CONECT 1602 1601 CONECT 1603 1601 CONECT 1604 1601 CONECT 1605 1600 1606 1607 1608 CONECT 1606 1605 CONECT 1607 1605 CONECT 1608 1605 CONECT 1609 1600 CONECT 1610 1599 CONECT 1611 1599 CONECT 1612 1369 CONECT 1613 1368 CONECT 1614 1365 1615 1625 1626 CONECT 1615 1614 1616 1620 1624 CONECT 1616 1615 1617 1618 1619 CONECT 1617 1616 CONECT 1618 1616 CONECT 1619 1616 CONECT 1620 1615 1621 1622 1623 CONECT 1621 1620 CONECT 1622 1620 CONECT 1623 1620 CONECT 1624 1615 CONECT 1625 1614 CONECT 1626 1614 CONECT 1627 1365 CONECT 1628 1364 CONECT 1629 1361 1630 1632 1633 CONECT 1630 1629 1631 CONECT 1631 1630 CONECT 1632 1629 CONECT 1633 1629 CONECT 1634 1361 CONECT 1635 1360 CONECT 1636 1357 CONECT 1637 1357 CONECT 1638 1356 CONECT 1639 1356 CONECT 1640 1356 MASTER 0 0 0 0 0 0 0 0 1639 1 289 7 END
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Entry Information
PDB ID
2lsr
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Harmonin N terminal domain
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=5.7uM
Release Year
2012
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) J.Biol.Chem.Vol.287: pp. 33460-33471.
Ligand Properties
Formula
C
8
7
H
1
5
5
N
2
2
O
2
5
Molecular Weight
1909.290
Exact Mass
1908.150
No. of atoms
289
No. of bonds
289
Polar Surface Area
802.73
LOGP Value
-2.77 (
Computed with XLOGP3
)
-1.75 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 21
No. of Hydrogen Bond Acceptors: 25
No. of Rotatable Bonds: 82
No. of Nitrogen and Oxygen Atoms: 47
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCCC[NH3+])CCCC[NH3+])CC(C)C)CCC[NH+]=C(N)N)CC(C)C)Cc1ccc(cc1)O)CC(=O)O)CCC(=O)O)CC(C)C)C(C)C)CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C[NH3+])CO)CC(C)C)CC(C)C
InChI String
InChI=1S/C87H150N22O25/c1-45(2)36-59(77(124)97-54(21-14-17-33-89)73(120)101-58(86(133)134)22-15-18-34-90)102-74(121)55(23-19-35-94-87(92)93)98-79(126)61(38-47(5)6)104-82(129)64(41-51-24-26-52(111)27-25-51)106-83(130)65(42-70(117)118)107-75(122)56(28-30-68(113)114)100-80(127)63(40-49(9)10)108-85(132)71(50(11)12)109-76(123)57(29-31-69(115)116)99-72(119)53(20-13-16-32-88)96-78(125)60(37-46(3)4)103-81(128)62(39-48(7)8)105-84(131)66(44-110)95-67(112)43-91/h24-27,45-50,53-66,71,110-111H,13-23,28-44,88-91H2,1-12H3,(H,95,112)(H,96,125)(H,97,124)(H,98,126)(H,99,119)(H,100,127)(H,101,120)(H,102,121)(H,103,128)(H,104,129)(H,105,131)(H,106,130)(H,107,122)(H,108,132)(H,109,123)(H,113,114)(H,115,116)(H,117,118)(H,133,134)(H4,92,93,94)/p+5/t53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,71-/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):
Q9H251
Q9Y6N9
Entrez Gene ID
NCBI Entrez Gene ID:
64072
10083
ASD
Information of known allosteric effects of PDB entries
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