Browse entries in the PDBbind-CN Database
HEADER 2L75_COMPLEX COMPND 2L75_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 56 ASP HIS HIS MET GLU PHE CYS ARG VAL CYS LYS ASP GLY SEQRES 2 A 56 GLY GLU LEU LEU CYS CYS ASP THR CYS PRO SER SER TYR SEQRES 3 A 56 HIS ILE HIS CYS LEU ASN PRO PRO LEU PRO GLU ILE PRO SEQRES 4 A 56 ASN GLY GLU TRP LEU CYS PRO ARG CYS THR CYS PRO ALA SEQRES 5 A 56 LEU LYS GLY LYS HET ZN A 1 1 HET ZN A 2 1 HET ALA A 59 194 ATOM 1 N ASP A 87 -11.885 6.360 11.011 1.00 0.00 N ATOM 2 CA ASP A 87 -11.337 5.985 9.714 1.00 0.00 C ATOM 3 C ASP A 87 -11.464 4.481 9.492 1.00 0.00 C ATOM 4 O ASP A 87 -11.599 3.719 10.447 1.00 0.00 O ATOM 5 CB ASP A 87 -9.872 6.421 9.619 1.00 0.00 C ATOM 6 CG ASP A 87 -9.185 5.864 8.395 1.00 0.00 C ATOM 7 OD1 ASP A 87 -9.536 6.271 7.274 1.00 0.00 O ATOM 8 OD2 ASP A 87 -8.299 5.002 8.548 1.00 0.00 O ATOM 9 HA ASP A 87 -11.905 6.492 8.934 1.00 0.00 H ATOM 10 HB2 ASP A 87 -9.832 7.510 9.579 1.00 0.00 H ATOM 11 HB3 ASP A 87 -9.344 6.072 10.507 1.00 0.00 H ATOM 12 HN3 ASP A 87 -11.365 5.863 11.762 1.00 0.00 H ATOM 13 HN2 ASP A 87 -12.890 6.097 11.050 1.00 0.00 H ATOM 14 HN1 ASP A 87 -11.789 7.387 11.143 1.00 0.00 H ATOM 15 N HIS A 88 -11.424 4.049 8.234 1.00 0.00 N ATOM 16 CA HIS A 88 -11.603 2.638 7.919 1.00 0.00 C ATOM 17 C HIS A 88 -10.461 2.097 7.048 1.00 0.00 C ATOM 18 O HIS A 88 -10.691 1.500 5.997 1.00 0.00 O ATOM 19 CB HIS A 88 -12.960 2.417 7.235 1.00 0.00 C ATOM 20 CG HIS A 88 -13.320 0.970 7.063 1.00 0.00 C ATOM 21 ND1 HIS A 88 -13.338 0.337 5.839 1.00 0.00 N ATOM 22 CD2 HIS A 88 -13.659 0.030 7.973 1.00 0.00 C ATOM 23 CE1 HIS A 88 -13.667 -0.927 6.003 1.00 0.00 C ATOM 24 NE2 HIS A 88 -13.866 -1.140 7.290 1.00 0.00 N ATOM 25 HA HIS A 88 -11.583 2.082 8.857 1.00 0.00 H ATOM 26 HB2 HIS A 88 -13.732 2.895 7.839 1.00 0.00 H ATOM 27 HB3 HIS A 88 -12.930 2.884 6.250 1.00 0.00 H ATOM 28 HD2 HIS A 88 -13.751 0.175 9.049 1.00 0.00 H ATOM 29 HE1 HIS A 88 -13.759 -1.670 5.211 1.00 0.00 H ATOM 30 H HIS A 88 -11.262 4.729 7.464 1.00 0.00 H ATOM 31 N HIS A 89 -9.227 2.321 7.481 1.00 0.00 N ATOM 32 CA HIS A 89 -8.081 1.638 6.891 1.00 0.00 C ATOM 33 C HIS A 89 -6.887 1.725 7.836 1.00 0.00 C ATOM 34 O HIS A 89 -6.939 2.477 8.810 1.00 0.00 O ATOM 35 CB HIS A 89 -7.756 2.154 5.466 1.00 0.00 C ATOM 36 CG HIS A 89 -7.109 3.504 5.353 1.00 0.00 C ATOM 37 ND1 HIS A 89 -7.478 4.606 6.093 1.00 0.00 N ATOM 38 CD2 HIS A 89 -6.116 3.927 4.537 1.00 0.00 C ATOM 39 CE1 HIS A 89 -6.744 5.640 5.739 1.00 0.00 C ATOM 40 NE2 HIS A 89 -5.907 5.256 4.796 1.00 0.00 N ATOM 41 HA HIS A 89 -8.335 0.586 6.763 1.00 0.00 H ATOM 42 HB2 HIS A 89 -7.087 1.430 5.000 1.00 0.00 H ATOM 43 HB3 HIS A 89 -8.693 2.192 4.910 1.00 0.00 H ATOM 44 HD2 HIS A 89 -5.580 3.321 3.807 1.00 0.00 H ATOM 45 HE1 HIS A 89 -6.816 6.645 6.156 1.00 0.00 H ATOM 46 H HIS A 89 -9.074 2.997 8.256 1.00 0.00 H ATOM 47 N MET A 90 -5.835 0.950 7.570 1.00 0.00 N ATOM 48 CA MET A 90 -4.693 0.851 8.489 1.00 0.00 C ATOM 49 C MET A 90 -4.136 2.224 8.851 1.00 0.00 C ATOM 50 O MET A 90 -4.302 3.201 8.117 1.00 0.00 O ATOM 51 CB MET A 90 -3.573 -0.009 7.898 1.00 0.00 C ATOM 52 CG MET A 90 -3.991 -1.424 7.537 1.00 0.00 C ATOM 53 SD MET A 90 -2.752 -2.658 7.994 1.00 0.00 S ATOM 54 CE MET A 90 -1.274 -1.967 7.257 1.00 0.00 C ATOM 55 HA MET A 90 -5.067 0.376 9.396 1.00 0.00 H ATOM 56 HB2 MET A 90 -3.208 0.480 6.995 1.00 0.00 H ATOM 57 HB3 MET A 90 -2.766 -0.068 8.629 1.00 0.00 H ATOM 58 HG2 MET A 90 -4.154 -1.476 6.460 1.00 0.00 H ATOM 59 HG3 MET A 90 -4.921 -1.656 8.055 1.00 0.00 H ATOM 60 HE1 MET A 90 -1.415 -1.875 6.180 1.00 0.00 H ATOM 61 HE2 MET A 90 -1.082 -0.983 7.685 1.00 0.00 H ATOM 62 HE3 MET A 90 -0.428 -2.624 7.459 1.00 0.00 H ATOM 63 H MET A 90 -5.823 0.400 6.687 1.00 0.00 H ATOM 64 N GLU A 91 -3.475 2.294 9.992 1.00 0.00 N ATOM 65 CA GLU A 91 -2.941 3.552 10.493 1.00 0.00 C ATOM 66 C GLU A 91 -1.434 3.627 10.256 1.00 0.00 C ATOM 67 O GLU A 91 -0.711 4.298 10.994 1.00 0.00 O ATOM 68 CB GLU A 91 -3.260 3.696 11.983 1.00 0.00 C ATOM 69 CG GLU A 91 -2.654 2.600 12.848 1.00 0.00 C ATOM 70 CD GLU A 91 -3.279 2.531 14.226 1.00 0.00 C ATOM 71 OE1 GLU A 91 -3.532 3.594 14.826 1.00 0.00 O ATOM 72 OE2 GLU A 91 -3.542 1.411 14.707 1.00 0.00 O ATOM 73 HA GLU A 91 -3.410 4.374 9.952 1.00 0.00 H ATOM 74 HB2 GLU A 91 -2.876 4.657 12.326 1.00 0.00 H ATOM 75 HB3 GLU A 91 -4.343 3.673 12.107 1.00 0.00 H ATOM 76 HG2 GLU A 91 -2.800 1.641 12.350 1.00 0.00 H ATOM 77 HG3 GLU A 91 -1.587 2.792 12.958 1.00 0.00 H ATOM 78 H GLU A 91 -3.332 1.427 10.548 1.00 0.00 H ATOM 79 N PHE A 92 -0.971 2.902 9.244 1.00 0.00 N ATOM 80 CA PHE A 92 0.415 2.960 8.802 1.00 0.00 C ATOM 81 C PHE A 92 0.595 2.176 7.504 1.00 0.00 C ATOM 82 O PHE A 92 -0.154 1.242 7.212 1.00 0.00 O ATOM 83 CB PHE A 92 1.384 2.451 9.881 1.00 0.00 C ATOM 84 CG PHE A 92 0.987 1.178 10.571 1.00 0.00 C ATOM 85 CD1 PHE A 92 0.213 1.204 11.717 1.00 0.00 C ATOM 86 CD2 PHE A 92 1.423 -0.041 10.096 1.00 0.00 C ATOM 87 CE1 PHE A 92 -0.128 0.036 12.369 1.00 0.00 C ATOM 88 CE2 PHE A 92 1.093 -1.209 10.744 1.00 0.00 C ATOM 89 CZ PHE A 92 0.315 -1.174 11.881 1.00 0.00 C ATOM 90 HA PHE A 92 0.656 4.007 8.618 1.00 0.00 H ATOM 91 HB2 PHE A 92 2.353 2.288 9.410 1.00 0.00 H ATOM 92 HB3 PHE A 92 1.477 3.228 10.640 1.00 0.00 H ATOM 93 HD2 PHE A 92 2.037 -0.080 9.196 1.00 0.00 H ATOM 94 HE2 PHE A 92 1.448 -2.164 10.357 1.00 0.00 H ATOM 95 HZ PHE A 92 0.051 -2.100 12.392 1.00 0.00 H ATOM 96 HE1 PHE A 92 -0.745 0.071 13.267 1.00 0.00 H ATOM 97 HD1 PHE A 92 -0.132 2.160 12.111 1.00 0.00 H ATOM 98 H PHE A 92 -1.626 2.266 8.746 1.00 0.00 H ATOM 99 N CYS A 93 1.574 2.610 6.725 1.00 0.00 N ATOM 100 CA CYS A 93 1.942 1.991 5.459 1.00 0.00 C ATOM 101 C CYS A 93 2.277 0.526 5.665 1.00 0.00 C ATOM 102 O CYS A 93 3.199 0.199 6.390 1.00 0.00 O ATOM 103 CB CYS A 93 3.151 2.755 4.904 1.00 0.00 C ATOM 104 SG CYS A 93 4.018 2.021 3.490 1.00 0.00 S ATOM 105 HA CYS A 93 1.112 2.038 4.753 1.00 0.00 H ATOM 106 HB2 CYS A 93 3.873 2.859 5.714 1.00 0.00 H ATOM 107 HB3 CYS A 93 2.804 3.742 4.599 1.00 0.00 H ATOM 108 HG CYS A 93 5.071 2.835 3.125 1.00 0.00 H ATOM 109 H CYS A 93 2.113 3.443 7.036 1.00 0.00 H ATOM 110 N ARG A 94 1.520 -0.343 5.016 1.00 0.00 N ATOM 111 CA ARG A 94 1.709 -1.783 5.126 1.00 0.00 C ATOM 112 C ARG A 94 3.151 -2.177 4.815 1.00 0.00 C ATOM 113 O ARG A 94 3.656 -3.172 5.326 1.00 0.00 O ATOM 114 CB ARG A 94 0.744 -2.474 4.169 1.00 0.00 C ATOM 115 CG ARG A 94 0.801 -3.987 4.193 1.00 0.00 C ATOM 116 CD ARG A 94 -0.154 -4.559 3.168 1.00 0.00 C ATOM 117 NE ARG A 94 -0.072 -6.012 3.083 1.00 0.00 N ATOM 118 CZ ARG A 94 -1.132 -6.821 3.070 1.00 0.00 C ATOM 119 NH1 ARG A 94 -2.363 -6.316 3.121 1.00 0.00 N ATOM 120 NH2 ARG A 94 -0.966 -8.135 3.012 1.00 0.00 N ATOM 121 HA ARG A 94 1.504 -2.096 6.150 1.00 0.00 H ATOM 122 HB2 ARG A 94 -0.269 -2.168 4.429 1.00 0.00 H ATOM 123 HB3 ARG A 94 0.974 -2.142 3.157 1.00 0.00 H ATOM 124 HG2 ARG A 94 1.815 -4.314 3.963 1.00 0.00 H ATOM 125 HG3 ARG A 94 0.522 -4.343 5.185 1.00 0.00 H ATOM 126 HD2 ARG A 94 0.085 -4.137 2.192 1.00 0.00 H ATOM 127 HD3 ARG A 94 -1.171 -4.281 3.443 1.00 0.00 H ATOM 128 HE ARG A 94 0.872 -6.445 3.029 1.00 0.00 H ATOM 129 HH12 ARG A 94 -3.186 -6.951 3.111 1.00 0.00 H ATOM 130 HH11 ARG A 94 -2.501 -5.286 3.171 1.00 0.00 H ATOM 131 HH22 ARG A 94 -1.794 -8.764 3.002 1.00 0.00 H ATOM 132 HH21 ARG A 94 -0.007 -8.537 2.977 1.00 0.00 H ATOM 133 H ARG A 94 0.760 0.016 4.403 1.00 0.00 H ATOM 134 N VAL A 95 3.802 -1.385 3.977 1.00 0.00 N ATOM 135 CA VAL A 95 5.198 -1.611 3.630 1.00 0.00 C ATOM 136 C VAL A 95 6.132 -1.220 4.782 1.00 0.00 C ATOM 137 O VAL A 95 6.957 -2.019 5.224 1.00 0.00 O ATOM 138 CB VAL A 95 5.595 -0.813 2.366 1.00 0.00 C ATOM 139 CG1 VAL A 95 7.017 -1.136 1.940 1.00 0.00 C ATOM 140 CG2 VAL A 95 4.623 -1.097 1.244 1.00 0.00 C ATOM 141 HA VAL A 95 5.305 -2.677 3.432 1.00 0.00 H ATOM 142 HB VAL A 95 5.553 0.250 2.604 1.00 0.00 H ATOM 143 HG11 VAL A 95 7.704 -0.878 2.746 1.00 0.00 H ATOM 144 HG12 VAL A 95 7.096 -2.201 1.720 1.00 0.00 H ATOM 145 HG13 VAL A 95 7.268 -0.560 1.049 1.00 0.00 H ATOM 146 HG21 VAL A 95 4.637 -2.162 1.014 1.00 0.00 H ATOM 147 HG22 VAL A 95 3.619 -0.804 1.552 1.00 0.00 H ATOM 148 HG23 VAL A 95 4.914 -0.529 0.360 1.00 0.00 H ATOM 149 H VAL A 95 3.301 -0.577 3.554 1.00 0.00 H ATOM 150 N CYS A 96 5.978 0.003 5.274 1.00 0.00 N ATOM 151 CA CYS A 96 6.923 0.558 6.248 1.00 0.00 C ATOM 152 C CYS A 96 6.500 0.354 7.703 1.00 0.00 C ATOM 153 O CYS A 96 7.335 0.381 8.602 1.00 0.00 O ATOM 154 CB CYS A 96 7.099 2.054 6.016 1.00 0.00 C ATOM 155 SG CYS A 96 7.656 2.490 4.364 1.00 0.00 S ATOM 156 HA CYS A 96 7.855 0.015 6.092 1.00 0.00 H ATOM 157 HB2 CYS A 96 7.832 2.426 6.732 1.00 0.00 H ATOM 158 HB3 CYS A 96 6.140 2.542 6.192 1.00 0.00 H ATOM 159 HG CYS A 96 7.780 3.861 4.269 1.00 0.00 H ATOM 160 H CYS A 96 5.170 0.579 4.962 1.00 0.00 H ATOM 161 N LYS A 97 5.202 0.159 7.913 1.00 0.00 N ATOM 162 CA LYS A 97 4.582 0.219 9.237 1.00 0.00 C ATOM 163 C LYS A 97 4.677 1.644 9.791 1.00 0.00 C ATOM 164 O LYS A 97 4.501 1.891 10.979 1.00 0.00 O ATOM 165 CB LYS A 97 5.207 -0.809 10.181 1.00 0.00 C ATOM 166 CG LYS A 97 5.163 -2.218 9.616 1.00 0.00 C ATOM 167 CD LYS A 97 3.752 -2.779 9.605 1.00 0.00 C ATOM 168 CE LYS A 97 3.700 -4.170 8.990 1.00 0.00 C ATOM 169 NZ LYS A 97 4.427 -5.179 9.809 1.00 0.00 N ATOM 170 HA LYS A 97 3.526 -0.037 9.150 1.00 0.00 H ATOM 171 HB2 LYS A 97 6.247 -0.535 10.358 1.00 0.00 H ATOM 172 HB3 LYS A 97 4.663 -0.793 11.125 1.00 0.00 H ATOM 173 HG2 LYS A 97 5.544 -2.201 8.595 1.00 0.00 H ATOM 174 HG3 LYS A 97 5.794 -2.863 10.227 1.00 0.00 H ATOM 175 HD2 LYS A 97 3.386 -2.833 10.630 1.00 0.00 H ATOM 176 HD3 LYS A 97 3.112 -2.113 9.026 1.00 0.00 H ATOM 177 HE2 LYS A 97 4.151 -4.132 7.999 1.00 0.00 H ATOM 178 HE3 LYS A 97 2.657 -4.476 8.902 1.00 0.00 H ATOM 179 HZ1 LYS A 97 5.426 -4.901 9.893 1.00 0.00 H ATOM 180 HZ2 LYS A 97 3.999 -5.229 10.755 1.00 0.00 H ATOM 181 HZ3 LYS A 97 4.362 -6.109 9.348 1.00 0.00 H ATOM 182 H LYS A 97 4.596 -0.047 7.094 1.00 0.00 H ATOM 183 N ASP A 98 4.916 2.567 8.871 1.00 0.00 N ATOM 184 CA ASP A 98 5.058 3.995 9.147 1.00 0.00 C ATOM 185 C ASP A 98 3.732 4.697 8.857 1.00 0.00 C ATOM 186 O ASP A 98 3.118 4.431 7.825 1.00 0.00 O ATOM 187 CB ASP A 98 6.162 4.541 8.238 1.00 0.00 C ATOM 188 CG ASP A 98 6.318 6.044 8.287 1.00 0.00 C ATOM 189 OD1 ASP A 98 5.483 6.753 7.691 1.00 0.00 O ATOM 190 OD2 ASP A 98 7.298 6.517 8.892 1.00 0.00 O ATOM 191 HA ASP A 98 5.320 4.168 10.191 1.00 0.00 H ATOM 192 HB2 ASP A 98 7.107 4.089 8.538 1.00 0.00 H ATOM 193 HB3 ASP A 98 5.933 4.254 7.212 1.00 0.00 H ATOM 194 H ASP A 98 5.009 2.253 7.884 1.00 0.00 H ATOM 195 N GLY A 99 3.302 5.618 9.717 1.00 0.00 N ATOM 196 CA GLY A 99 1.952 6.118 9.621 1.00 0.00 C ATOM 197 C GLY A 99 1.925 7.485 9.010 1.00 0.00 C ATOM 198 O GLY A 99 1.308 8.406 9.541 1.00 0.00 O ATOM 199 HA3 GLY A 99 1.518 6.166 10.620 1.00 0.00 H ATOM 200 HA2 GLY A 99 1.364 5.440 9.003 1.00 0.00 H ATOM 201 H GLY A 99 3.939 5.977 10.457 1.00 0.00 H ATOM 202 N GLY A 100 2.628 7.627 7.909 1.00 0.00 N ATOM 203 CA GLY A 100 2.686 8.900 7.239 1.00 0.00 C ATOM 204 C GLY A 100 1.428 9.186 6.471 1.00 0.00 C ATOM 205 O GLY A 100 0.330 8.810 6.885 1.00 0.00 O ATOM 206 HA3 GLY A 100 3.528 8.897 6.547 1.00 0.00 H ATOM 207 HA2 GLY A 100 2.831 9.684 7.983 1.00 0.00 H ATOM 208 H GLY A 100 3.146 6.814 7.519 1.00 0.00 H ATOM 209 N GLU A 101 1.586 9.872 5.369 1.00 0.00 N ATOM 210 CA GLU A 101 0.484 10.089 4.459 1.00 0.00 C ATOM 211 C GLU A 101 0.212 8.806 3.681 1.00 0.00 C ATOM 212 O GLU A 101 0.979 8.413 2.800 1.00 0.00 O ATOM 213 CB GLU A 101 0.780 11.255 3.526 1.00 0.00 C ATOM 214 CG GLU A 101 -0.461 11.799 2.844 1.00 0.00 C ATOM 215 CD GLU A 101 -0.219 13.117 2.142 1.00 0.00 C ATOM 216 OE1 GLU A 101 0.955 13.503 1.981 1.00 0.00 O ATOM 217 OE2 GLU A 101 -1.208 13.782 1.768 1.00 0.00 O ATOM 218 HA GLU A 101 -0.410 10.348 5.026 1.00 0.00 H ATOM 219 HB2 GLU A 101 1.238 12.057 4.106 1.00 0.00 H ATOM 220 HB3 GLU A 101 1.478 10.918 2.760 1.00 0.00 H ATOM 221 HG2 GLU A 101 -0.801 11.070 2.108 1.00 0.00 H ATOM 222 HG3 GLU A 101 -1.236 11.943 3.596 1.00 0.00 H ATOM 223 H GLU A 101 2.521 10.268 5.143 1.00 0.00 H ATOM 224 N LEU A 102 -0.880 8.151 4.038 1.00 0.00 N ATOM 225 CA LEU A 102 -1.183 6.827 3.527 1.00 0.00 C ATOM 226 C LEU A 102 -2.323 6.866 2.542 1.00 0.00 C ATOM 227 O LEU A 102 -3.428 7.311 2.864 1.00 0.00 O ATOM 228 CB LEU A 102 -1.556 5.896 4.665 1.00 0.00 C ATOM 229 CG LEU A 102 -0.720 6.080 5.919 1.00 0.00 C ATOM 230 CD1 LEU A 102 -1.407 5.445 7.114 1.00 0.00 C ATOM 231 CD2 LEU A 102 0.669 5.501 5.697 1.00 0.00 C ATOM 232 HA LEU A 102 -0.289 6.461 3.021 1.00 0.00 H ATOM 233 HB2 LEU A 102 -2.601 6.071 4.922 1.00 0.00 H ATOM 234 HB3 LEU A 102 -1.435 4.869 4.321 1.00 0.00 H ATOM 235 HG LEU A 102 -0.616 7.144 6.132 1.00 0.00 H ATOM 236 HD21 LEU A 102 0.586 4.438 5.469 1.00 0.00 H ATOM 237 HD22 LEU A 102 1.147 6.016 4.864 1.00 0.00 H ATOM 238 HD23 LEU A 102 1.266 5.635 6.599 1.00 0.00 H ATOM 239 HD11 LEU A 102 -2.379 5.914 7.264 1.00 0.00 H ATOM 240 HD12 LEU A 102 -1.541 4.379 6.930 1.00 0.00 H ATOM 241 HD13 LEU A 102 -0.792 5.587 8.003 1.00 0.00 H ATOM 242 H LEU A 102 -1.541 8.598 4.705 1.00 0.00 H ATOM 243 N LEU A 103 -2.052 6.343 1.371 1.00 0.00 N ATOM 244 CA LEU A 103 -2.985 6.327 0.284 1.00 0.00 C ATOM 245 C LEU A 103 -4.116 5.373 0.614 1.00 0.00 C ATOM 246 O LEU A 103 -3.923 4.157 0.676 1.00 0.00 O ATOM 247 CB LEU A 103 -2.236 5.893 -0.972 1.00 0.00 C ATOM 248 CG LEU A 103 -2.838 6.326 -2.300 1.00 0.00 C ATOM 249 CD1 LEU A 103 -3.666 7.581 -2.139 1.00 0.00 C ATOM 250 CD2 LEU A 103 -1.723 6.557 -3.302 1.00 0.00 C ATOM 251 HA LEU A 103 -3.418 7.313 0.117 1.00 0.00 H ATOM 252 HB2 LEU A 103 -1.227 6.302 -0.915 1.00 0.00 H ATOM 253 HB3 LEU A 103 -2.186 4.804 -0.969 1.00 0.00 H ATOM 254 HG LEU A 103 -3.498 5.537 -2.661 1.00 0.00 H ATOM 255 HD21 LEU A 103 -1.058 7.336 -2.930 1.00 0.00 H ATOM 256 HD22 LEU A 103 -1.162 5.633 -3.438 1.00 0.00 H ATOM 257 HD23 LEU A 103 -2.151 6.868 -4.255 1.00 0.00 H ATOM 258 HD11 LEU A 103 -4.475 7.393 -1.434 1.00 0.00 H ATOM 259 HD12 LEU A 103 -3.034 8.386 -1.763 1.00 0.00 H ATOM 260 HD13 LEU A 103 -4.083 7.866 -3.105 1.00 0.00 H ATOM 261 H LEU A 103 -1.114 5.919 1.224 1.00 0.00 H ATOM 262 N CYS A 104 -5.282 5.934 0.869 1.00 0.00 N ATOM 263 CA CYS A 104 -6.423 5.141 1.267 1.00 0.00 C ATOM 264 C CYS A 104 -7.018 4.457 0.054 1.00 0.00 C ATOM 265 O CYS A 104 -7.753 5.078 -0.716 1.00 0.00 O ATOM 266 CB CYS A 104 -7.471 6.012 1.957 1.00 0.00 C ATOM 267 SG CYS A 104 -8.819 5.082 2.723 1.00 0.00 S ATOM 268 HA CYS A 104 -6.094 4.382 1.977 1.00 0.00 H ATOM 269 HB2 CYS A 104 -7.899 6.686 1.214 1.00 0.00 H ATOM 270 HB3 CYS A 104 -6.974 6.596 2.732 1.00 0.00 H ATOM 271 HG CYS A 104 -8.303 4.232 3.680 1.00 0.00 H ATOM 272 H CYS A 104 -5.382 6.966 0.782 1.00 0.00 H ATOM 273 N CYS A 105 -6.650 3.195 -0.130 1.00 0.00 N ATOM 274 CA CYS A 105 -7.188 2.394 -1.219 1.00 0.00 C ATOM 275 C CYS A 105 -8.708 2.512 -1.256 1.00 0.00 C ATOM 276 O CYS A 105 -9.387 2.272 -0.260 1.00 0.00 O ATOM 277 CB CYS A 105 -6.781 0.926 -1.076 1.00 0.00 C ATOM 278 SG CYS A 105 -7.258 -0.089 -2.497 1.00 0.00 S ATOM 279 HA CYS A 105 -6.775 2.773 -2.154 1.00 0.00 H ATOM 280 HB2 CYS A 105 -7.258 0.519 -0.184 1.00 0.00 H ATOM 281 HB3 CYS A 105 -5.698 0.876 -0.962 1.00 0.00 H ATOM 282 HG CYS A 105 -8.629 -0.049 -2.649 1.00 0.00 H ATOM 283 H CYS A 105 -5.960 2.768 0.520 1.00 0.00 H ATOM 284 N ASP A 106 -9.227 2.893 -2.414 1.00 0.00 N ATOM 285 CA ASP A 106 -10.649 3.190 -2.567 1.00 0.00 C ATOM 286 C ASP A 106 -11.522 1.950 -2.361 1.00 0.00 C ATOM 287 O ASP A 106 -12.686 2.063 -1.986 1.00 0.00 O ATOM 288 CB ASP A 106 -10.914 3.809 -3.949 1.00 0.00 C ATOM 289 CG ASP A 106 -12.355 4.246 -4.132 1.00 0.00 C ATOM 290 OD1 ASP A 106 -12.688 5.377 -3.721 1.00 0.00 O ATOM 291 OD2 ASP A 106 -13.157 3.469 -4.693 1.00 0.00 O ATOM 292 HA ASP A 106 -10.920 3.907 -1.792 1.00 0.00 H ATOM 293 HB2 ASP A 106 -10.268 4.679 -4.071 1.00 0.00 H ATOM 294 HB3 ASP A 106 -10.674 3.070 -4.713 1.00 0.00 H ATOM 295 H ASP A 106 -8.602 2.983 -3.240 1.00 0.00 H ATOM 296 N THR A 107 -10.960 0.766 -2.574 1.00 0.00 N ATOM 297 CA THR A 107 -11.749 -0.460 -2.503 1.00 0.00 C ATOM 298 C THR A 107 -11.486 -1.280 -1.238 1.00 0.00 C ATOM 299 O THR A 107 -12.262 -2.181 -0.919 1.00 0.00 O ATOM 300 CB THR A 107 -11.503 -1.352 -3.731 1.00 0.00 C ATOM 301 OG1 THR A 107 -10.095 -1.541 -3.919 1.00 0.00 O ATOM 302 CG2 THR A 107 -12.115 -0.741 -4.982 1.00 0.00 C ATOM 303 HA THR A 107 -12.788 -0.131 -2.478 1.00 0.00 H ATOM 304 HB THR A 107 -11.980 -2.316 -3.555 1.00 0.00 H ATOM 305 HG1 THR A 107 -9.711 -1.975 -3.116 1.00 0.00 H ATOM 306 HG23 THR A 107 -13.185 -0.601 -4.830 1.00 0.00 H ATOM 307 HG21 THR A 107 -11.646 0.222 -5.181 1.00 0.00 H ATOM 308 HG22 THR A 107 -11.951 -1.408 -5.828 1.00 0.00 H ATOM 309 H THR A 107 -9.945 0.711 -2.794 1.00 0.00 H ATOM 310 N CYS A 108 -10.415 -0.986 -0.508 1.00 0.00 N ATOM 311 CA CYS A 108 -10.060 -1.810 0.644 1.00 0.00 C ATOM 312 C CYS A 108 -9.249 -1.010 1.661 1.00 0.00 C ATOM 313 O CYS A 108 -8.619 -0.011 1.313 1.00 0.00 O ATOM 314 CB CYS A 108 -9.263 -3.037 0.192 1.00 0.00 C ATOM 315 SG CYS A 108 -7.483 -2.770 0.107 1.00 0.00 S ATOM 316 HA CYS A 108 -10.983 -2.138 1.122 1.00 0.00 H ATOM 317 HB2 CYS A 108 -9.613 -3.327 -0.799 1.00 0.00 H ATOM 318 HB3 CYS A 108 -9.454 -3.848 0.895 1.00 0.00 H ATOM 319 HG CYS A 108 -7.012 -2.417 1.355 1.00 0.00 H ATOM 320 H CYS A 108 -9.827 -0.165 -0.758 1.00 0.00 H ATOM 321 N PRO A 109 -9.237 -1.456 2.931 1.00 0.00 N ATOM 322 CA PRO A 109 -8.568 -0.739 4.022 1.00 0.00 C ATOM 323 C PRO A 109 -7.042 -0.911 4.052 1.00 0.00 C ATOM 324 O PRO A 109 -6.443 -1.028 5.125 1.00 0.00 O ATOM 325 CB PRO A 109 -9.200 -1.355 5.271 1.00 0.00 C ATOM 326 CG PRO A 109 -9.549 -2.746 4.870 1.00 0.00 C ATOM 327 CD PRO A 109 -9.903 -2.685 3.408 1.00 0.00 C ATOM 328 HA PRO A 109 -8.701 0.338 3.923 1.00 0.00 H ATOM 329 HD3 PRO A 109 -9.525 -3.561 2.880 1.00 0.00 H ATOM 330 HD2 PRO A 109 -10.983 -2.619 3.273 1.00 0.00 H ATOM 331 HG3 PRO A 109 -10.399 -3.105 5.450 1.00 0.00 H ATOM 332 HG2 PRO A 109 -8.698 -3.409 5.026 1.00 0.00 H ATOM 333 HB2 PRO A 109 -8.491 -1.360 6.099 1.00 0.00 H ATOM 334 HB3 PRO A 109 -10.093 -0.803 5.563 1.00 0.00 H ATOM 335 N SER A 110 -6.413 -0.899 2.886 1.00 0.00 N ATOM 336 CA SER A 110 -4.960 -0.980 2.805 1.00 0.00 C ATOM 337 C SER A 110 -4.355 0.417 2.799 1.00 0.00 C ATOM 338 O SER A 110 -4.930 1.352 2.240 1.00 0.00 O ATOM 339 CB SER A 110 -4.530 -1.755 1.559 1.00 0.00 C ATOM 340 OG SER A 110 -5.002 -3.090 1.602 1.00 0.00 O ATOM 341 HA SER A 110 -4.595 -1.515 3.681 1.00 0.00 H ATOM 342 HB2 SER A 110 -3.442 -1.763 1.502 1.00 0.00 H ATOM 343 HB3 SER A 110 -4.935 -1.262 0.675 1.00 0.00 H ATOM 344 HG SER A 110 -5.991 -3.088 1.649 1.00 0.00 H ATOM 345 H SER A 110 -6.968 -0.830 2.009 1.00 0.00 H ATOM 346 N SER A 111 -3.203 0.556 3.439 1.00 0.00 N ATOM 347 CA SER A 111 -2.543 1.843 3.564 1.00 0.00 C ATOM 348 C SER A 111 -1.098 1.755 3.102 1.00 0.00 C ATOM 349 O SER A 111 -0.348 0.878 3.531 1.00 0.00 O ATOM 350 CB SER A 111 -2.608 2.305 5.009 1.00 0.00 C ATOM 351 OG SER A 111 -3.929 2.175 5.496 1.00 0.00 O ATOM 352 HA SER A 111 -3.055 2.566 2.930 1.00 0.00 H ATOM 353 HB2 SER A 111 -2.301 3.349 5.069 1.00 0.00 H ATOM 354 HB3 SER A 111 -1.937 1.695 5.614 1.00 0.00 H ATOM 355 HG SER A 111 -3.964 2.478 6.438 1.00 0.00 H ATOM 356 H SER A 111 -2.758 -0.282 3.865 1.00 0.00 H ATOM 357 N TYR A 112 -0.723 2.665 2.222 1.00 0.00 N ATOM 358 CA TYR A 112 0.616 2.685 1.637 1.00 0.00 C ATOM 359 C TYR A 112 1.099 4.123 1.502 1.00 0.00 C ATOM 360 O TYR A 112 0.293 5.045 1.483 1.00 0.00 O ATOM 361 CB TYR A 112 0.601 2.053 0.234 1.00 0.00 C ATOM 362 CG TYR A 112 0.630 0.536 0.180 1.00 0.00 C ATOM 363 CD1 TYR A 112 -0.416 -0.231 0.675 1.00 0.00 C ATOM 364 CD2 TYR A 112 1.699 -0.124 -0.410 1.00 0.00 C ATOM 365 CE1 TYR A 112 -0.394 -1.611 0.589 1.00 0.00 C ATOM 366 CE2 TYR A 112 1.728 -1.502 -0.497 1.00 0.00 C ATOM 367 CZ TYR A 112 0.680 -2.240 0.005 1.00 0.00 C ATOM 368 OH TYR A 112 0.703 -3.611 -0.085 1.00 0.00 O ATOM 369 HA TYR A 112 1.279 2.119 2.291 1.00 0.00 H ATOM 370 HB3 TYR A 112 1.473 2.422 -0.306 1.00 0.00 H ATOM 371 HB2 TYR A 112 -0.305 2.386 -0.271 1.00 0.00 H ATOM 372 HD2 TYR A 112 2.530 0.455 -0.812 1.00 0.00 H ATOM 373 HE2 TYR A 112 2.577 -2.003 -0.961 1.00 0.00 H ATOM 374 HE1 TYR A 112 -1.224 -2.197 0.982 1.00 0.00 H ATOM 375 HD1 TYR A 112 -1.269 0.263 1.139 1.00 0.00 H ATOM 376 HH TYR A 112 -0.120 -3.981 0.321 1.00 0.00 H ATOM 377 H TYR A 112 -1.406 3.395 1.934 1.00 0.00 H ATOM 378 N HIS A 113 2.409 4.313 1.408 1.00 0.00 N ATOM 379 CA HIS A 113 2.943 5.609 1.007 1.00 0.00 C ATOM 380 C HIS A 113 2.989 5.620 -0.512 1.00 0.00 C ATOM 381 O HIS A 113 3.209 4.577 -1.124 1.00 0.00 O ATOM 382 CB HIS A 113 4.365 5.859 1.532 1.00 0.00 C ATOM 383 CG HIS A 113 4.509 5.948 3.021 1.00 0.00 C ATOM 384 ND1 HIS A 113 5.432 5.180 3.680 1.00 0.00 N ATOM 385 CD2 HIS A 113 3.869 6.739 3.914 1.00 0.00 C ATOM 386 CE1 HIS A 113 5.342 5.513 4.949 1.00 0.00 C ATOM 387 NE2 HIS A 113 4.407 6.459 5.148 1.00 0.00 N ATOM 388 HA HIS A 113 2.304 6.388 1.422 1.00 0.00 H ATOM 389 HB2 HIS A 113 4.998 5.043 1.184 1.00 0.00 H ATOM 390 HB3 HIS A 113 4.718 6.798 1.106 1.00 0.00 H ATOM 391 HD2 HIS A 113 3.080 7.459 3.697 1.00 0.00 H ATOM 392 HE1 HIS A 113 5.950 5.076 5.741 1.00 0.00 H ATOM 393 H HIS A 113 3.060 3.531 1.622 1.00 0.00 H ATOM 394 N ILE A 114 2.791 6.784 -1.114 1.00 0.00 N ATOM 395 CA ILE A 114 2.839 6.921 -2.571 1.00 0.00 C ATOM 396 C ILE A 114 4.184 6.494 -3.165 1.00 0.00 C ATOM 397 O ILE A 114 4.303 6.316 -4.374 1.00 0.00 O ATOM 398 CB ILE A 114 2.550 8.372 -2.991 1.00 0.00 C ATOM 399 CG1 ILE A 114 3.377 9.344 -2.139 1.00 0.00 C ATOM 400 CG2 ILE A 114 1.064 8.665 -2.877 1.00 0.00 C ATOM 401 CD1 ILE A 114 3.084 10.804 -2.405 1.00 0.00 C ATOM 402 HA ILE A 114 2.070 6.254 -2.961 1.00 0.00 H ATOM 403 HB ILE A 114 2.840 8.507 -4.033 1.00 0.00 H ATOM 404 HG12 ILE A 114 3.170 9.139 -1.089 1.00 0.00 H ATOM 405 HG13 ILE A 114 4.433 9.164 -2.342 1.00 0.00 H ATOM 406 HD11 ILE A 114 3.297 11.032 -3.449 1.00 0.00 H ATOM 407 HD12 ILE A 114 2.034 11.007 -2.195 1.00 0.00 H ATOM 408 HD13 ILE A 114 3.711 11.422 -1.762 1.00 0.00 H ATOM 409 HG21 ILE A 114 0.510 7.988 -3.527 1.00 0.00 H ATOM 410 HG22 ILE A 114 0.745 8.521 -1.845 1.00 0.00 H ATOM 411 HG23 ILE A 114 0.874 9.695 -3.177 1.00 0.00 H ATOM 412 H ILE A 114 2.596 7.625 -0.534 1.00 0.00 H ATOM 413 N HIS A 115 5.197 6.353 -2.320 1.00 0.00 N ATOM 414 CA HIS A 115 6.516 5.915 -2.768 1.00 0.00 C ATOM 415 C HIS A 115 6.753 4.436 -2.476 1.00 0.00 C ATOM 416 O HIS A 115 7.794 3.891 -2.834 1.00 0.00 O ATOM 417 CB HIS A 115 7.609 6.750 -2.107 1.00 0.00 C ATOM 418 CG HIS A 115 7.895 8.045 -2.810 1.00 0.00 C ATOM 419 ND1 HIS A 115 9.167 8.519 -3.022 1.00 0.00 N ATOM 420 CD2 HIS A 115 7.064 8.956 -3.364 1.00 0.00 C ATOM 421 CE1 HIS A 115 9.109 9.662 -3.673 1.00 0.00 C ATOM 422 NE2 HIS A 115 7.842 9.954 -3.898 1.00 0.00 N ATOM 423 HA HIS A 115 6.553 6.057 -3.848 1.00 0.00 H ATOM 424 HB2 HIS A 115 7.300 6.974 -1.086 1.00 0.00 H ATOM 425 HB3 HIS A 115 8.526 6.161 -2.086 1.00 0.00 H ATOM 426 HD2 HIS A 115 5.975 8.907 -3.383 1.00 0.00 H ATOM 427 HE1 HIS A 115 9.964 10.266 -3.975 1.00 0.00 H ATOM 428 H HIS A 115 5.048 6.560 -1.312 1.00 0.00 H ATOM 429 N CYS A 116 5.795 3.785 -1.833 1.00 0.00 N ATOM 430 CA CYS A 116 5.938 2.371 -1.503 1.00 0.00 C ATOM 431 C CYS A 116 5.027 1.553 -2.387 1.00 0.00 C ATOM 432 O CYS A 116 4.610 0.448 -2.050 1.00 0.00 O ATOM 433 CB CYS A 116 5.661 2.151 -0.021 1.00 0.00 C ATOM 434 SG CYS A 116 6.532 3.372 0.962 1.00 0.00 S ATOM 435 HA CYS A 116 6.961 2.043 -1.690 1.00 0.00 H ATOM 436 HB2 CYS A 116 5.996 1.154 0.264 1.00 0.00 H ATOM 437 HB3 CYS A 116 4.590 2.239 0.162 1.00 0.00 H ATOM 438 HG CYS A 116 6.269 3.156 2.299 1.00 0.00 H ATOM 439 H CYS A 116 4.928 4.290 -1.559 1.00 0.00 H ATOM 440 N LEU A 117 4.710 2.151 -3.519 1.00 0.00 N ATOM 441 CA LEU A 117 3.959 1.494 -4.562 1.00 0.00 C ATOM 442 C LEU A 117 4.901 1.012 -5.656 1.00 0.00 C ATOM 443 O LEU A 117 6.112 0.968 -5.455 1.00 0.00 O ATOM 444 CB LEU A 117 2.930 2.463 -5.122 1.00 0.00 C ATOM 445 CG LEU A 117 1.878 2.885 -4.108 1.00 0.00 C ATOM 446 CD1 LEU A 117 0.948 3.925 -4.698 1.00 0.00 C ATOM 447 CD2 LEU A 117 1.108 1.669 -3.635 1.00 0.00 C ATOM 448 HA LEU A 117 3.442 0.626 -4.154 1.00 0.00 H ATOM 449 HB2 LEU A 117 3.450 3.355 -5.471 1.00 0.00 H ATOM 450 HB3 LEU A 117 2.427 1.985 -5.962 1.00 0.00 H ATOM 451 HG LEU A 117 2.374 3.339 -3.250 1.00 0.00 H ATOM 452 HD21 LEU A 117 0.620 1.195 -4.487 1.00 0.00 H ATOM 453 HD22 LEU A 117 1.796 0.963 -3.170 1.00 0.00 H ATOM 454 HD23 LEU A 117 0.356 1.977 -2.909 1.00 0.00 H ATOM 455 HD11 LEU A 117 1.525 4.802 -4.992 1.00 0.00 H ATOM 456 HD12 LEU A 117 0.447 3.509 -5.572 1.00 0.00 H ATOM 457 HD13 LEU A 117 0.205 4.210 -3.953 1.00 0.00 H ATOM 458 H LEU A 117 5.013 3.135 -3.666 1.00 0.00 H ATOM 459 N ASN A 118 4.354 0.647 -6.802 1.00 0.00 N ATOM 460 CA ASN A 118 5.181 0.233 -7.924 1.00 0.00 C ATOM 461 C ASN A 118 5.696 1.449 -8.674 1.00 0.00 C ATOM 462 O ASN A 118 6.910 1.618 -8.822 1.00 0.00 O ATOM 463 CB ASN A 118 4.428 -0.737 -8.844 1.00 0.00 C ATOM 464 CG ASN A 118 4.093 -2.053 -8.162 1.00 0.00 C ATOM 465 OD1 ASN A 118 4.868 -3.009 -8.214 1.00 0.00 O ATOM 466 ND2 ASN A 118 2.936 -2.115 -7.513 1.00 0.00 N ATOM 467 HA ASN A 118 6.044 -0.310 -7.539 1.00 0.00 H ATOM 468 HB2 ASN A 118 3.500 -0.264 -9.165 1.00 0.00 H ATOM 469 HB3 ASN A 118 5.049 -0.944 -9.716 1.00 0.00 H ATOM 470 HD22 ASN A 118 2.307 -1.287 -7.491 1.00 0.00 H ATOM 471 HD21 ASN A 118 2.659 -2.992 -7.027 1.00 0.00 H ATOM 472 H ASN A 118 3.319 0.656 -6.903 1.00 0.00 H ATOM 473 N PRO A 119 4.804 2.316 -9.163 1.00 0.00 N ATOM 474 CA PRO A 119 5.183 3.607 -9.689 1.00 0.00 C ATOM 475 C PRO A 119 5.056 4.691 -8.617 1.00 0.00 C ATOM 476 O PRO A 119 3.945 5.103 -8.277 1.00 0.00 O ATOM 477 CB PRO A 119 4.155 3.835 -10.799 1.00 0.00 C ATOM 478 CG PRO A 119 3.132 2.745 -10.665 1.00 0.00 C ATOM 479 CD PRO A 119 3.365 2.120 -9.322 1.00 0.00 C ATOM 480 HA PRO A 119 6.216 3.644 -10.034 1.00 0.00 H ATOM 481 HD3 PRO A 119 2.803 2.631 -8.540 1.00 0.00 H ATOM 482 HD2 PRO A 119 3.103 1.062 -9.323 1.00 0.00 H ATOM 483 HG3 PRO A 119 3.261 2.005 -11.455 1.00 0.00 H ATOM 484 HG2 PRO A 119 2.126 3.161 -10.720 1.00 0.00 H ATOM 485 HB2 PRO A 119 3.683 4.811 -10.681 1.00 0.00 H ATOM 486 HB3 PRO A 119 4.637 3.781 -11.775 1.00 0.00 H ATOM 487 N PRO A 120 6.183 5.153 -8.054 1.00 0.00 N ATOM 488 CA PRO A 120 6.174 6.154 -6.985 1.00 0.00 C ATOM 489 C PRO A 120 5.543 7.467 -7.428 1.00 0.00 C ATOM 490 O PRO A 120 5.856 8.001 -8.491 1.00 0.00 O ATOM 491 CB PRO A 120 7.658 6.353 -6.649 1.00 0.00 C ATOM 492 CG PRO A 120 8.346 5.155 -7.205 1.00 0.00 C ATOM 493 CD PRO A 120 7.549 4.746 -8.412 1.00 0.00 C ATOM 494 HA PRO A 120 5.580 5.826 -6.132 1.00 0.00 H ATOM 495 HD3 PRO A 120 7.893 5.268 -9.305 1.00 0.00 H ATOM 496 HD2 PRO A 120 7.608 3.670 -8.576 1.00 0.00 H ATOM 497 HG3 PRO A 120 8.361 4.351 -6.470 1.00 0.00 H ATOM 498 HG2 PRO A 120 9.368 5.403 -7.491 1.00 0.00 H ATOM 499 HB2 PRO A 120 8.037 7.263 -7.114 1.00 0.00 H ATOM 500 HB3 PRO A 120 7.802 6.411 -5.570 1.00 0.00 H ATOM 501 N LEU A 121 4.649 7.969 -6.600 1.00 0.00 N ATOM 502 CA LEU A 121 3.914 9.190 -6.889 1.00 0.00 C ATOM 503 C LEU A 121 4.494 10.366 -6.119 1.00 0.00 C ATOM 504 O LEU A 121 4.857 10.229 -4.952 1.00 0.00 O ATOM 505 CB LEU A 121 2.449 8.990 -6.506 1.00 0.00 C ATOM 506 CG LEU A 121 1.696 7.985 -7.374 1.00 0.00 C ATOM 507 CD1 LEU A 121 0.850 7.070 -6.508 1.00 0.00 C ATOM 508 CD2 LEU A 121 0.831 8.707 -8.398 1.00 0.00 C ATOM 509 HA LEU A 121 3.995 9.410 -7.954 1.00 0.00 H ATOM 510 HB2 LEU A 121 2.412 8.643 -5.473 1.00 0.00 H ATOM 511 HB3 LEU A 121 1.943 9.952 -6.583 1.00 0.00 H ATOM 512 HG LEU A 121 2.423 7.376 -7.911 1.00 0.00 H ATOM 513 HD21 LEU A 121 0.109 9.340 -7.881 1.00 0.00 H ATOM 514 HD22 LEU A 121 1.464 9.323 -9.037 1.00 0.00 H ATOM 515 HD23 LEU A 121 0.302 7.974 -9.007 1.00 0.00 H ATOM 516 HD11 LEU A 121 1.495 6.529 -5.815 1.00 0.00 H ATOM 517 HD12 LEU A 121 0.130 7.666 -5.947 1.00 0.00 H ATOM 518 HD13 LEU A 121 0.320 6.360 -7.142 1.00 0.00 H ATOM 519 H LEU A 121 4.462 7.473 -5.705 1.00 0.00 H ATOM 520 N PRO A 122 4.605 11.534 -6.768 1.00 0.00 N ATOM 521 CA PRO A 122 5.076 12.763 -6.124 1.00 0.00 C ATOM 522 C PRO A 122 4.010 13.357 -5.210 1.00 0.00 C ATOM 523 O PRO A 122 4.293 14.213 -4.373 1.00 0.00 O ATOM 524 CB PRO A 122 5.356 13.716 -7.298 1.00 0.00 C ATOM 525 CG PRO A 122 5.213 12.891 -8.537 1.00 0.00 C ATOM 526 CD PRO A 122 4.297 11.757 -8.182 1.00 0.00 C ATOM 527 HA PRO A 122 5.949 12.585 -5.496 1.00 0.00 H ATOM 528 HD3 PRO A 122 3.252 12.036 -8.319 1.00 0.00 H ATOM 529 HD2 PRO A 122 4.516 10.871 -8.778 1.00 0.00 H ATOM 530 HG3 PRO A 122 6.184 12.508 -8.851 1.00 0.00 H ATOM 531 HG2 PRO A 122 4.782 13.488 -9.341 1.00 0.00 H ATOM 532 HB2 PRO A 122 4.637 14.535 -7.302 1.00 0.00 H ATOM 533 HB3 PRO A 122 6.365 14.121 -7.226 1.00 0.00 H ATOM 534 N GLU A 123 2.786 12.885 -5.378 1.00 0.00 N ATOM 535 CA GLU A 123 1.659 13.351 -4.592 1.00 0.00 C ATOM 536 C GLU A 123 0.511 12.360 -4.725 1.00 0.00 C ATOM 537 O GLU A 123 0.496 11.539 -5.642 1.00 0.00 O ATOM 538 CB GLU A 123 1.207 14.735 -5.064 1.00 0.00 C ATOM 539 CG GLU A 123 0.272 15.450 -4.103 1.00 0.00 C ATOM 540 CD GLU A 123 -0.293 16.724 -4.693 1.00 0.00 C ATOM 541 OE1 GLU A 123 -1.081 16.633 -5.657 1.00 0.00 O ATOM 542 OE2 GLU A 123 0.049 17.821 -4.205 1.00 0.00 O ATOM 543 HA GLU A 123 1.963 13.427 -3.548 1.00 0.00 H ATOM 544 HB2 GLU A 123 2.093 15.355 -5.203 1.00 0.00 H ATOM 545 HB3 GLU A 123 0.693 14.619 -6.018 1.00 0.00 H ATOM 546 HG2 GLU A 123 -0.553 14.782 -3.854 1.00 0.00 H ATOM 547 HG3 GLU A 123 0.823 15.698 -3.196 1.00 0.00 H ATOM 548 H GLU A 123 2.626 12.153 -6.100 1.00 0.00 H ATOM 549 N ILE A 124 -0.426 12.442 -3.800 1.00 0.00 N ATOM 550 CA ILE A 124 -1.591 11.579 -3.767 1.00 0.00 C ATOM 551 C ILE A 124 -2.420 11.711 -5.053 1.00 0.00 C ATOM 552 O ILE A 124 -2.706 12.822 -5.504 1.00 0.00 O ATOM 553 CB ILE A 124 -2.439 11.940 -2.531 1.00 0.00 C ATOM 554 CG1 ILE A 124 -1.521 12.203 -1.323 1.00 0.00 C ATOM 555 CG2 ILE A 124 -3.443 10.850 -2.227 1.00 0.00 C ATOM 556 CD1 ILE A 124 -0.452 11.151 -1.096 1.00 0.00 C ATOM 557 HA ILE A 124 -1.266 10.541 -3.701 1.00 0.00 H ATOM 558 HB ILE A 124 -2.999 12.850 -2.744 1.00 0.00 H ATOM 559 HG12 ILE A 124 -1.026 13.162 -1.475 1.00 0.00 H ATOM 560 HG13 ILE A 124 -2.143 12.254 -0.429 1.00 0.00 H ATOM 561 HD11 ILE A 124 -0.926 10.184 -0.927 1.00 0.00 H ATOM 562 HD12 ILE A 124 0.191 11.093 -1.974 1.00 0.00 H ATOM 563 HD13 ILE A 124 0.144 11.422 -0.225 1.00 0.00 H ATOM 564 HG21 ILE A 124 -4.107 10.720 -3.082 1.00 0.00 H ATOM 565 HG22 ILE A 124 -2.916 9.917 -2.030 1.00 0.00 H ATOM 566 HG23 ILE A 124 -4.028 11.130 -1.351 1.00 0.00 H ATOM 567 H ILE A 124 -0.324 13.162 -3.057 1.00 0.00 H ATOM 568 N PRO A 125 -2.796 10.564 -5.661 1.00 0.00 N ATOM 569 CA PRO A 125 -3.469 10.522 -6.968 1.00 0.00 C ATOM 570 C PRO A 125 -4.851 11.168 -6.988 1.00 0.00 C ATOM 571 O PRO A 125 -5.532 11.274 -5.965 1.00 0.00 O ATOM 572 CB PRO A 125 -3.596 9.025 -7.278 1.00 0.00 C ATOM 573 CG PRO A 125 -2.690 8.331 -6.327 1.00 0.00 C ATOM 574 CD PRO A 125 -2.589 9.215 -5.120 1.00 0.00 C ATOM 575 HA PRO A 125 -2.893 11.090 -7.698 1.00 0.00 H ATOM 576 HD3 PRO A 125 -3.359 8.966 -4.390 1.00 0.00 H ATOM 577 HD2 PRO A 125 -1.607 9.128 -4.655 1.00 0.00 H ATOM 578 HG3 PRO A 125 -1.707 8.191 -6.776 1.00 0.00 H ATOM 579 HG2 PRO A 125 -3.103 7.361 -6.051 1.00 0.00 H ATOM 580 HB2 PRO A 125 -4.624 8.694 -7.132 1.00 0.00 H ATOM 581 HB3 PRO A 125 -3.293 8.824 -8.306 1.00 0.00 H ATOM 582 N ASN A 126 -5.255 11.583 -8.177 1.00 0.00 N ATOM 583 CA ASN A 126 -6.577 12.143 -8.399 1.00 0.00 C ATOM 584 C ASN A 126 -7.492 11.060 -8.960 1.00 0.00 C ATOM 585 O ASN A 126 -7.207 10.486 -10.013 1.00 0.00 O ATOM 586 CB ASN A 126 -6.489 13.322 -9.378 1.00 0.00 C ATOM 587 CG ASN A 126 -7.803 14.069 -9.551 1.00 0.00 C ATOM 588 OD1 ASN A 126 -8.890 13.510 -9.398 1.00 0.00 O ATOM 589 ND2 ASN A 126 -7.708 15.346 -9.889 1.00 0.00 N ATOM 590 HA ASN A 126 -6.983 12.506 -7.455 1.00 0.00 H ATOM 591 HB2 ASN A 126 -5.740 14.022 -9.008 1.00 0.00 H ATOM 592 HB3 ASN A 126 -6.179 12.940 -10.351 1.00 0.00 H ATOM 593 HD22 ASN A 126 -6.772 15.784 -10.009 1.00 0.00 H ATOM 594 HD21 ASN A 126 -8.569 15.911 -10.034 1.00 0.00 H ATOM 595 H ASN A 126 -4.602 11.506 -8.983 1.00 0.00 H ATOM 596 N GLY A 127 -8.577 10.778 -8.259 1.00 0.00 N ATOM 597 CA GLY A 127 -9.501 9.758 -8.711 1.00 0.00 C ATOM 598 C GLY A 127 -9.435 8.492 -7.879 1.00 0.00 C ATOM 599 O GLY A 127 -9.038 8.520 -6.715 1.00 0.00 O ATOM 600 HA3 GLY A 127 -9.265 9.508 -9.745 1.00 0.00 H ATOM 601 HA2 GLY A 127 -10.514 10.157 -8.658 1.00 0.00 H ATOM 602 H GLY A 127 -8.769 11.293 -7.376 1.00 0.00 H ATOM 603 N GLU A 128 -9.803 7.385 -8.500 1.00 0.00 N ATOM 604 CA GLU A 128 -9.912 6.098 -7.836 1.00 0.00 C ATOM 605 C GLU A 128 -8.563 5.400 -7.822 1.00 0.00 C ATOM 606 O GLU A 128 -8.125 4.862 -8.842 1.00 0.00 O ATOM 607 CB GLU A 128 -10.924 5.238 -8.589 1.00 0.00 C ATOM 608 CG GLU A 128 -11.338 3.980 -7.856 1.00 0.00 C ATOM 609 CD GLU A 128 -12.289 3.127 -8.671 1.00 0.00 C ATOM 610 OE1 GLU A 128 -13.495 3.447 -8.717 1.00 0.00 O ATOM 611 OE2 GLU A 128 -11.836 2.138 -9.280 1.00 0.00 O ATOM 612 HA GLU A 128 -10.240 6.247 -6.807 1.00 0.00 H ATOM 613 HB2 GLU A 128 -11.816 5.838 -8.769 1.00 0.00 H ATOM 614 HB3 GLU A 128 -10.484 4.949 -9.543 1.00 0.00 H ATOM 615 HG2 GLU A 128 -10.446 3.395 -7.632 1.00 0.00 H ATOM 616 HG3 GLU A 128 -11.830 4.262 -6.925 1.00 0.00 H ATOM 617 H GLU A 128 -10.026 7.438 -9.515 1.00 0.00 H ATOM 618 N TRP A 129 -7.900 5.422 -6.681 1.00 0.00 N ATOM 619 CA TRP A 129 -6.628 4.740 -6.548 1.00 0.00 C ATOM 620 C TRP A 129 -6.820 3.401 -5.863 1.00 0.00 C ATOM 621 O TRP A 129 -7.514 3.300 -4.846 1.00 0.00 O ATOM 622 CB TRP A 129 -5.619 5.581 -5.774 1.00 0.00 C ATOM 623 CG TRP A 129 -4.308 4.894 -5.580 1.00 0.00 C ATOM 624 CD1 TRP A 129 -3.244 4.917 -6.430 1.00 0.00 C ATOM 625 CD2 TRP A 129 -3.925 4.075 -4.471 1.00 0.00 C ATOM 626 NE1 TRP A 129 -2.221 4.158 -5.922 1.00 0.00 N ATOM 627 CE2 TRP A 129 -2.618 3.623 -4.719 1.00 0.00 C ATOM 628 CE3 TRP A 129 -4.564 3.675 -3.295 1.00 0.00 C ATOM 629 CZ2 TRP A 129 -1.940 2.793 -3.828 1.00 0.00 C ATOM 630 CZ3 TRP A 129 -3.887 2.856 -2.416 1.00 0.00 C ATOM 631 CH2 TRP A 129 -2.588 2.421 -2.687 1.00 0.00 C ATOM 632 HA TRP A 129 -6.232 4.579 -7.551 1.00 0.00 H ATOM 633 HB2 TRP A 129 -5.447 6.508 -6.321 1.00 0.00 H ATOM 634 HB3 TRP A 129 -6.038 5.811 -4.795 1.00 0.00 H ATOM 635 HE1 TRP A 129 -1.296 4.011 -6.373 1.00 0.00 H ATOM 636 HD1 TRP A 129 -3.211 5.459 -7.375 1.00 0.00 H ATOM 637 HZ2 TRP A 129 -0.926 2.453 -4.036 1.00 0.00 H ATOM 638 HH2 TRP A 129 -2.082 1.771 -1.973 1.00 0.00 H ATOM 639 HZ3 TRP A 129 -4.375 2.543 -1.493 1.00 0.00 H ATOM 640 HE3 TRP A 129 -5.580 4.004 -3.076 1.00 0.00 H ATOM 641 H TRP A 129 -8.295 5.935 -5.867 1.00 0.00 H ATOM 642 N LEU A 130 -6.204 2.382 -6.425 1.00 0.00 N ATOM 643 CA LEU A 130 -6.250 1.054 -5.844 1.00 0.00 C ATOM 644 C LEU A 130 -4.861 0.605 -5.440 1.00 0.00 C ATOM 645 O LEU A 130 -3.873 0.910 -6.109 1.00 0.00 O ATOM 646 CB LEU A 130 -6.859 0.027 -6.804 1.00 0.00 C ATOM 647 CG LEU A 130 -8.374 0.112 -7.007 1.00 0.00 C ATOM 648 CD1 LEU A 130 -9.059 0.705 -5.787 1.00 0.00 C ATOM 649 CD2 LEU A 130 -8.714 0.900 -8.257 1.00 0.00 C ATOM 650 HA LEU A 130 -6.889 1.113 -4.963 1.00 0.00 H ATOM 651 HB2 LEU A 130 -6.384 0.157 -7.777 1.00 0.00 H ATOM 652 HB3 LEU A 130 -6.629 -0.967 -6.419 1.00 0.00 H ATOM 653 HG LEU A 130 -8.748 -0.903 -7.139 1.00 0.00 H ATOM 654 HD21 LEU A 130 -8.316 1.911 -8.167 1.00 0.00 H ATOM 655 HD22 LEU A 130 -8.272 0.410 -9.125 1.00 0.00 H ATOM 656 HD23 LEU A 130 -9.797 0.943 -8.374 1.00 0.00 H ATOM 657 HD11 LEU A 130 -8.858 0.078 -4.918 1.00 0.00 H ATOM 658 HD12 LEU A 130 -8.674 1.709 -5.608 1.00 0.00 H ATOM 659 HD13 LEU A 130 -10.134 0.752 -5.962 1.00 0.00 H ATOM 660 H LEU A 130 -5.672 2.533 -7.306 1.00 0.00 H ATOM 661 N CYS A 131 -4.797 -0.113 -4.336 1.00 0.00 N ATOM 662 CA CYS A 131 -3.540 -0.649 -3.850 1.00 0.00 C ATOM 663 C CYS A 131 -3.090 -1.794 -4.762 1.00 0.00 C ATOM 664 O CYS A 131 -3.914 -2.329 -5.504 1.00 0.00 O ATOM 665 CB CYS A 131 -3.700 -1.159 -2.418 1.00 0.00 C ATOM 666 SG CYS A 131 -4.609 -2.715 -2.289 1.00 0.00 S ATOM 667 HA CYS A 131 -2.788 0.140 -3.857 1.00 0.00 H ATOM 668 HB2 CYS A 131 -4.232 -0.402 -1.842 1.00 0.00 H ATOM 669 HB3 CYS A 131 -2.707 -1.306 -1.993 1.00 0.00 H ATOM 670 HG CYS A 131 -5.877 -2.549 -2.807 1.00 0.00 H ATOM 671 H CYS A 131 -5.669 -0.300 -3.801 1.00 0.00 H ATOM 672 N PRO A 132 -1.808 -2.207 -4.715 1.00 0.00 N ATOM 673 CA PRO A 132 -1.303 -3.311 -5.551 1.00 0.00 C ATOM 674 C PRO A 132 -2.142 -4.588 -5.414 1.00 0.00 C ATOM 675 O PRO A 132 -2.264 -5.373 -6.354 1.00 0.00 O ATOM 676 CB PRO A 132 0.113 -3.541 -5.015 1.00 0.00 C ATOM 677 CG PRO A 132 0.509 -2.233 -4.426 1.00 0.00 C ATOM 678 CD PRO A 132 -0.750 -1.637 -3.860 1.00 0.00 C ATOM 679 HA PRO A 132 -1.340 -3.065 -6.612 1.00 0.00 H ATOM 680 HD3 PRO A 132 -0.888 -1.930 -2.819 1.00 0.00 H ATOM 681 HD2 PRO A 132 -0.734 -0.549 -3.931 1.00 0.00 H ATOM 682 HG3 PRO A 132 0.925 -1.581 -5.194 1.00 0.00 H ATOM 683 HG2 PRO A 132 1.247 -2.380 -3.637 1.00 0.00 H ATOM 684 HB2 PRO A 132 0.115 -4.322 -4.255 1.00 0.00 H ATOM 685 HB3 PRO A 132 0.790 -3.820 -5.823 1.00 0.00 H ATOM 686 N ARG A 133 -2.742 -4.766 -4.246 1.00 0.00 N ATOM 687 CA ARG A 133 -3.548 -5.941 -3.955 1.00 0.00 C ATOM 688 C ARG A 133 -4.830 -5.929 -4.784 1.00 0.00 C ATOM 689 O ARG A 133 -5.328 -6.972 -5.199 1.00 0.00 O ATOM 690 CB ARG A 133 -3.894 -5.957 -2.468 1.00 0.00 C ATOM 691 CG ARG A 133 -4.207 -7.332 -1.906 1.00 0.00 C ATOM 692 CD ARG A 133 -2.968 -8.207 -1.899 1.00 0.00 C ATOM 693 NE ARG A 133 -2.698 -8.796 -3.209 1.00 0.00 N ATOM 694 CZ ARG A 133 -1.478 -8.968 -3.713 1.00 0.00 C ATOM 695 NH1 ARG A 133 -0.413 -8.594 -3.015 1.00 0.00 N ATOM 696 NH2 ARG A 133 -1.329 -9.516 -4.913 1.00 0.00 N ATOM 697 HA ARG A 133 -2.980 -6.835 -4.211 1.00 0.00 H ATOM 698 HB2 ARG A 133 -3.046 -5.549 -1.917 1.00 0.00 H ATOM 699 HB3 ARG A 133 -4.765 -5.320 -2.315 1.00 0.00 H ATOM 700 HG2 ARG A 133 -4.575 -7.226 -0.886 1.00 0.00 H ATOM 701 HG3 ARG A 133 -4.974 -7.803 -2.521 1.00 0.00 H ATOM 702 HD2 ARG A 133 -3.110 -9.010 -1.176 1.00 0.00 H ATOM 703 HD3 ARG A 133 -2.112 -7.601 -1.604 1.00 0.00 H ATOM 704 HE ARG A 133 -3.510 -9.100 -3.783 1.00 0.00 H ATOM 705 HH12 ARG A 133 0.540 -8.728 -3.409 1.00 0.00 H ATOM 706 HH11 ARG A 133 -0.532 -8.167 -2.074 1.00 0.00 H ATOM 707 HH22 ARG A 133 -0.377 -9.651 -5.308 1.00 0.00 H ATOM 708 HH21 ARG A 133 -2.165 -9.810 -5.458 1.00 0.00 H ATOM 709 H ARG A 133 -2.633 -4.039 -3.511 1.00 0.00 H ATOM 710 N CYS A 134 -5.353 -4.734 -5.009 1.00 0.00 N ATOM 711 CA CYS A 134 -6.594 -4.558 -5.749 1.00 0.00 C ATOM 712 C CYS A 134 -6.354 -4.421 -7.252 1.00 0.00 C ATOM 713 O CYS A 134 -7.281 -4.560 -8.046 1.00 0.00 O ATOM 714 CB CYS A 134 -7.344 -3.339 -5.216 1.00 0.00 C ATOM 715 SG CYS A 134 -8.036 -3.573 -3.561 1.00 0.00 S ATOM 716 HA CYS A 134 -7.199 -5.453 -5.602 1.00 0.00 H ATOM 717 HB2 CYS A 134 -8.161 -3.111 -5.901 1.00 0.00 H ATOM 718 HB3 CYS A 134 -6.653 -2.497 -5.184 1.00 0.00 H ATOM 719 HG CYS A 134 -8.690 -2.422 -3.171 1.00 0.00 H ATOM 720 H CYS A 134 -4.861 -3.893 -4.645 1.00 0.00 H ATOM 721 N THR A 135 -5.111 -4.160 -7.646 1.00 0.00 N ATOM 722 CA THR A 135 -4.814 -3.856 -9.041 1.00 0.00 C ATOM 723 C THR A 135 -4.538 -5.105 -9.878 1.00 0.00 C ATOM 724 O THR A 135 -4.082 -5.001 -11.016 1.00 0.00 O ATOM 725 CB THR A 135 -3.622 -2.890 -9.158 1.00 0.00 C ATOM 726 OG1 THR A 135 -2.518 -3.366 -8.380 1.00 0.00 O ATOM 727 CG2 THR A 135 -4.008 -1.499 -8.686 1.00 0.00 C ATOM 728 HA THR A 135 -5.711 -3.381 -9.438 1.00 0.00 H ATOM 729 HB THR A 135 -3.331 -2.840 -10.207 1.00 0.00 H ATOM 730 HG1 THR A 135 -2.789 -3.432 -7.430 1.00 0.00 H ATOM 731 HG23 THR A 135 -4.848 -1.136 -9.278 1.00 0.00 H ATOM 732 HG21 THR A 135 -4.293 -1.539 -7.635 1.00 0.00 H ATOM 733 HG22 THR A 135 -3.159 -0.827 -8.808 1.00 0.00 H ATOM 734 H THR A 135 -4.339 -4.173 -6.949 1.00 0.00 H ATOM 735 N CYS A 136 -4.811 -6.280 -9.327 1.00 0.00 N ATOM 736 CA CYS A 136 -4.638 -7.519 -10.070 1.00 0.00 C ATOM 737 C CYS A 136 -5.963 -7.940 -10.704 1.00 0.00 C ATOM 738 O CYS A 136 -6.876 -8.396 -10.012 1.00 0.00 O ATOM 739 CB CYS A 136 -4.097 -8.626 -9.157 1.00 0.00 C ATOM 740 SG CYS A 136 -5.098 -8.927 -7.681 1.00 0.00 S ATOM 741 HA CYS A 136 -3.910 -7.351 -10.864 1.00 0.00 H ATOM 742 HB2 CYS A 136 -3.093 -8.346 -8.838 1.00 0.00 H ATOM 743 HB3 CYS A 136 -4.049 -9.551 -9.732 1.00 0.00 H ATOM 744 HG CYS A 136 -5.160 -7.773 -6.926 1.00 0.00 H ATOM 745 H CYS A 136 -5.155 -6.317 -8.346 1.00 0.00 H ATOM 746 N PRO A 137 -6.093 -7.777 -12.029 1.00 0.00 N ATOM 747 CA PRO A 137 -7.325 -8.107 -12.742 1.00 0.00 C ATOM 748 C PRO A 137 -7.478 -9.607 -12.971 1.00 0.00 C ATOM 749 O PRO A 137 -8.593 -10.130 -13.037 1.00 0.00 O ATOM 750 CB PRO A 137 -7.162 -7.372 -14.069 1.00 0.00 C ATOM 751 CG PRO A 137 -5.688 -7.313 -14.297 1.00 0.00 C ATOM 752 CD PRO A 137 -5.048 -7.256 -12.933 1.00 0.00 C ATOM 753 HA PRO A 137 -8.216 -7.818 -12.184 1.00 0.00 H ATOM 754 HD3 PRO A 137 -4.156 -7.881 -12.896 1.00 0.00 H ATOM 755 HD2 PRO A 137 -4.783 -6.232 -12.671 1.00 0.00 H ATOM 756 HG3 PRO A 137 -5.430 -6.424 -14.872 1.00 0.00 H ATOM 757 HG2 PRO A 137 -5.353 -8.201 -14.834 1.00 0.00 H ATOM 758 HB2 PRO A 137 -7.653 -7.919 -14.874 1.00 0.00 H ATOM 759 HB3 PRO A 137 -7.581 -6.368 -14.006 1.00 0.00 H ATOM 760 N ALA A 138 -6.354 -10.296 -13.088 1.00 0.00 N ATOM 761 CA ALA A 138 -6.361 -11.725 -13.332 1.00 0.00 C ATOM 762 C ALA A 138 -6.138 -12.487 -12.034 1.00 0.00 C ATOM 763 O ALA A 138 -5.017 -12.552 -11.528 1.00 0.00 O ATOM 764 CB ALA A 138 -5.295 -12.092 -14.354 1.00 0.00 C ATOM 765 HA ALA A 138 -7.336 -12.004 -13.732 1.00 0.00 H ATOM 766 HB1 ALA A 138 -5.495 -11.570 -15.290 1.00 0.00 H ATOM 767 HB2 ALA A 138 -4.315 -11.800 -13.976 1.00 0.00 H ATOM 768 HB3 ALA A 138 -5.313 -13.168 -14.526 1.00 0.00 H ATOM 769 H ALA A 138 -5.444 -9.800 -13.003 1.00 0.00 H ATOM 770 N LEU A 139 -7.211 -13.041 -11.486 1.00 0.00 N ATOM 771 CA LEU A 139 -7.113 -13.838 -10.275 1.00 0.00 C ATOM 772 C LEU A 139 -6.421 -15.155 -10.588 1.00 0.00 C ATOM 773 O LEU A 139 -6.960 -16.002 -11.306 1.00 0.00 O ATOM 774 CB LEU A 139 -8.499 -14.091 -9.672 1.00 0.00 C ATOM 775 CG LEU A 139 -8.495 -14.814 -8.322 1.00 0.00 C ATOM 776 CD1 LEU A 139 -7.758 -13.995 -7.276 1.00 0.00 C ATOM 777 CD2 LEU A 139 -9.915 -15.102 -7.865 1.00 0.00 C ATOM 778 HA LEU A 139 -6.525 -13.288 -9.540 1.00 0.00 H ATOM 779 HB2 LEU A 139 -8.991 -13.128 -9.539 1.00 0.00 H ATOM 780 HB3 LEU A 139 -9.070 -14.695 -10.378 1.00 0.00 H ATOM 781 HG LEU A 139 -7.973 -15.763 -8.446 1.00 0.00 H ATOM 782 HD21 LEU A 139 -10.460 -14.163 -7.762 1.00 0.00 H ATOM 783 HD22 LEU A 139 -10.412 -15.733 -8.602 1.00 0.00 H ATOM 784 HD23 LEU A 139 -9.889 -15.616 -6.904 1.00 0.00 H ATOM 785 HD11 LEU A 139 -6.728 -13.841 -7.597 1.00 0.00 H ATOM 786 HD12 LEU A 139 -8.251 -13.030 -7.158 1.00 0.00 H ATOM 787 HD13 LEU A 139 -7.768 -14.528 -6.325 1.00 0.00 H ATOM 788 H LEU A 139 -8.140 -12.902 -11.932 1.00 0.00 H ATOM 789 N LYS A 140 -5.224 -15.314 -10.055 1.00 0.00 N ATOM 790 CA LYS A 140 -4.397 -16.473 -10.348 1.00 0.00 C ATOM 791 C LYS A 140 -4.868 -17.686 -9.548 1.00 0.00 C ATOM 792 O LYS A 140 -4.202 -18.129 -8.614 1.00 0.00 O ATOM 793 CB LYS A 140 -2.935 -16.149 -10.033 1.00 0.00 C ATOM 794 CG LYS A 140 -1.927 -17.047 -10.735 1.00 0.00 C ATOM 795 CD LYS A 140 -2.066 -16.974 -12.249 1.00 0.00 C ATOM 796 CE LYS A 140 -0.838 -17.528 -12.959 1.00 0.00 C ATOM 797 NZ LYS A 140 -0.481 -18.895 -12.493 1.00 0.00 N ATOM 798 HA LYS A 140 -4.486 -16.717 -11.407 1.00 0.00 H ATOM 799 HB2 LYS A 140 -2.741 -15.119 -10.333 1.00 0.00 H ATOM 800 HB3 LYS A 140 -2.788 -16.247 -8.957 1.00 0.00 H ATOM 801 HG2 LYS A 140 -0.921 -16.734 -10.457 1.00 0.00 H ATOM 802 HG3 LYS A 140 -2.087 -18.076 -10.415 1.00 0.00 H ATOM 803 HD2 LYS A 140 -2.939 -17.552 -12.551 1.00 0.00 H ATOM 804 HD3 LYS A 140 -2.202 -15.933 -12.541 1.00 0.00 H ATOM 805 HE2 LYS A 140 0.005 -16.863 -12.771 1.00 0.00 H ATOM 806 HE3 LYS A 140 -1.039 -17.564 -14.030 1.00 0.00 H ATOM 807 HZ1 LYS A 140 -0.279 -18.871 -11.473 1.00 0.00 H ATOM 808 HZ2 LYS A 140 -1.276 -19.541 -12.675 1.00 0.00 H ATOM 809 HZ3 LYS A 140 0.361 -19.226 -13.007 1.00 0.00 H ATOM 810 H LYS A 140 -4.861 -14.588 -9.405 1.00 0.00 H ATOM 811 N GLY A 141 -6.029 -18.210 -9.923 1.00 0.00 N ATOM 812 CA GLY A 141 -6.577 -19.380 -9.263 1.00 0.00 C ATOM 813 C GLY A 141 -5.766 -20.629 -9.540 1.00 0.00 C ATOM 814 O GLY A 141 -5.851 -21.614 -8.806 1.00 0.00 O ATOM 815 HA3 GLY A 141 -7.596 -19.538 -9.617 1.00 0.00 H ATOM 816 HA2 GLY A 141 -6.591 -19.202 -8.188 1.00 0.00 H ATOM 817 H GLY A 141 -6.556 -17.773 -10.706 1.00 0.00 H ATOM 818 N LYS A 142 -4.994 -20.590 -10.612 1.00 0.00 N ATOM 819 CA LYS A 142 -4.094 -21.675 -10.955 1.00 0.00 C ATOM 820 C LYS A 142 -2.699 -21.119 -11.197 1.00 0.00 C ATOM 821 O LYS A 142 -1.869 -21.168 -10.266 1.00 0.00 O ATOM 822 CB LYS A 142 -4.589 -22.421 -12.196 1.00 0.00 C ATOM 823 CG LYS A 142 -5.911 -23.145 -11.986 1.00 0.00 C ATOM 824 CD LYS A 142 -6.316 -23.950 -13.210 1.00 0.00 C ATOM 825 CE LYS A 142 -5.294 -25.026 -13.540 1.00 0.00 C ATOM 826 NZ LYS A 142 -5.735 -25.881 -14.673 1.00 0.00 N ATOM 827 HA LYS A 142 -4.064 -22.382 -10.126 1.00 0.00 H ATOM 828 OXT LYS A 142 -2.449 -20.599 -12.299 1.00 0.00 O ATOM 829 HB2 LYS A 142 -4.715 -21.700 -13.004 1.00 0.00 H ATOM 830 HB3 LYS A 142 -3.835 -23.155 -12.480 1.00 0.00 H ATOM 831 HG2 LYS A 142 -5.812 -23.820 -11.136 1.00 0.00 H ATOM 832 HG3 LYS A 142 -6.687 -22.409 -11.775 1.00 0.00 H ATOM 833 HD2 LYS A 142 -7.279 -24.424 -13.019 1.00 0.00 H ATOM 834 HD3 LYS A 142 -6.407 -23.276 -14.062 1.00 0.00 H ATOM 835 HE2 LYS A 142 -5.147 -25.654 -12.661 1.00 0.00 H ATOM 836 HE3 LYS A 142 -4.351 -24.547 -13.805 1.00 0.00 H ATOM 837 HZ1 LYS A 142 -6.631 -26.347 -14.426 1.00 0.00 H ATOM 838 HZ2 LYS A 142 -5.872 -25.291 -15.518 1.00 0.00 H ATOM 839 HZ3 LYS A 142 -5.010 -26.601 -14.865 1.00 0.00 H ATOM 840 H LYS A 142 -5.033 -19.754 -11.230 1.00 0.00 H TER 841 LYS A 142 HETATM 842 ZN ZN A 1 5.894 3.316 3.153 1.00 0.00 ZN HETATM 843 ZN ZN A 2 -6.854 -2.304 -2.052 1.00 0.00 ZN HETATM 844 N ALA A 3 -8.038 10.255 -4.938 1.00 0.24 N HETATM 845 CA ALA A 3 -7.505 9.178 -4.081 1.00 0.06 C HETATM 846 C ALA A 3 -7.213 9.734 -2.689 1.00 0.23 C HETATM 847 O ALA A 3 -6.608 10.797 -2.551 1.00 -0.39 O HETATM 848 N ALA A 3 -7.678 9.024 -1.667 1.00 -0.26 N HETATM 849 CA ALA A 3 -7.642 9.517 -0.289 1.00 0.13 C HETATM 850 C ALA A 3 -6.290 9.263 0.366 1.00 0.20 C HETATM 851 O ALA A 3 -5.560 8.377 -0.048 1.00 -0.39 O HETATM 852 N ALA A 3 -5.977 10.026 1.399 1.00 -0.26 N HETATM 853 CA ALA A 3 -4.764 9.816 2.175 1.00 0.16 C HETATM 854 C ALA A 3 -5.006 10.090 3.663 1.00 0.21 C HETATM 855 O ALA A 3 -5.755 10.999 4.025 1.00 -0.39 O HETATM 856 N ALA A 3 -4.402 9.274 4.523 1.00 -0.26 N HETATM 857 CA ALA A 3 -4.430 9.529 5.960 1.00 0.13 C HETATM 858 C ALA A 3 -3.070 10.012 6.404 1.00 0.20 C HETATM 859 O ALA A 3 -2.089 9.839 5.701 1.00 -0.39 O HETATM 860 N ALA A 3 -3.030 10.609 7.566 1.00 -0.26 N HETATM 861 CA ALA A 3 -1.781 11.005 8.195 1.00 0.13 C HETATM 862 C ALA A 3 -1.884 10.716 9.683 1.00 0.20 C HETATM 863 O ALA A 3 -2.702 11.313 10.380 1.00 -0.39 O HETATM 864 N ALA A 3 -1.086 9.781 10.164 1.00 -0.26 N HETATM 865 CA ALA A 3 -1.267 9.273 11.512 1.00 0.16 C HETATM 866 C ALA A 3 0.041 9.290 12.327 1.00 0.21 C HETATM 867 O ALA A 3 0.414 10.331 12.871 1.00 -0.39 O HETATM 868 N ALA A 3 0.750 8.170 12.387 1.00 -0.26 N HETATM 869 CA ALA A 3 1.957 8.076 13.196 1.00 0.13 C HETATM 870 C ALA A 3 3.136 7.568 12.379 1.00 0.20 C HETATM 871 O ALA A 3 3.503 6.396 12.456 1.00 -0.39 O HETATM 872 N ALA A 3 3.726 8.447 11.590 1.00 -0.26 N HETATM 873 CA ALA A 3 4.896 8.086 10.811 1.00 0.13 C HETATM 874 C ALA A 3 6.135 8.152 11.696 1.00 0.20 C HETATM 875 O ALA A 3 6.192 8.935 12.651 1.00 -0.39 O HETATM 876 N ALA A 3 7.117 7.337 11.357 1.00 -0.26 N HETATM 877 CA ALA A 3 8.265 7.063 12.217 1.00 0.13 C HETATM 878 CB ALA A 3 8.880 5.715 11.821 1.00 -0.01 C HETATM 879 CG ALA A 3 8.099 4.502 12.315 1.00 -0.04 C HETATM 880 CD ALA A 3 8.259 3.319 11.373 1.00 -0.01 C HETATM 881 CE ALA A 3 8.218 1.981 12.103 1.00 -0.03 C HETATM 882 NZ ALA A 3 6.971 1.749 12.848 1.00 0.24 N HETATM 883 CM1 ALA A 3 5.828 1.769 11.913 1.00 -0.04 C HETATM 884 H ALA A 3 5.782 2.739 11.419 1.00 0.08 H HETATM 885 H ALA A 3 5.957 0.985 11.166 1.00 0.08 H HETATM 886 H ALA A 3 4.905 1.597 12.466 1.00 0.08 H HETATM 887 CM2 ALA A 3 6.793 2.801 13.875 1.00 -0.04 C HETATM 888 H ALA A 3 7.635 2.778 14.567 1.00 0.08 H HETATM 889 H ALA A 3 6.746 3.776 13.390 1.00 0.08 H HETATM 890 H ALA A 3 5.867 2.621 14.421 1.00 0.08 H HETATM 891 CM3 ALA A 3 7.044 0.429 13.502 1.00 -0.04 C HETATM 892 H ALA A 3 7.170 -0.344 12.744 1.00 0.08 H HETATM 893 H ALA A 3 7.892 0.411 14.187 1.00 0.08 H HETATM 894 H ALA A 3 6.123 0.248 14.057 1.00 0.08 H HETATM 895 H ALA A 3 9.034 1.980 12.826 1.00 0.08 H HETATM 896 H ALA A 3 8.297 1.197 11.350 1.00 0.08 H HETATM 897 H ALA A 3 9.230 3.406 10.886 1.00 0.03 H HETATM 898 H ALA A 3 7.432 3.340 10.663 1.00 0.03 H HETATM 899 H ALA A 3 7.043 4.766 12.363 1.00 0.03 H HETATM 900 H ALA A 3 8.482 4.219 13.295 1.00 0.03 H HETATM 901 H ALA A 3 9.870 5.667 12.276 1.00 0.03 H HETATM 902 H ALA A 3 8.886 5.672 10.732 1.00 0.03 H HETATM 903 C ALA A 3 9.320 8.168 12.151 1.00 0.20 C HETATM 904 O ALA A 3 10.497 7.909 11.887 1.00 -0.39 O HETATM 905 N ALA A 3 8.895 9.395 12.393 1.00 -0.26 N HETATM 906 CA ALA A 3 9.814 10.513 12.494 1.00 0.15 C HETATM 907 C ALA A 3 10.326 10.623 13.925 1.00 0.21 C HETATM 908 O ALA A 3 11.490 10.950 14.164 1.00 -0.39 O HETATM 909 N ALA A 3 9.445 10.329 14.869 1.00 -0.27 N HETATM 910 CA ALA A 3 9.788 10.327 16.279 1.00 0.12 C HETATM 911 C ALA A 3 9.797 8.900 16.818 1.00 0.06 C HETATM 912 O ALA A 3 8.805 8.143 16.647 1.00 -0.57 O HETATM 913 O ALA A 3 10.807 8.474 17.440 1.00 -0.57 O HETATM 914 CB ALA A 3 8.790 11.184 17.079 1.00 0.09 C HETATM 915 OG1 ALA A 3 7.457 10.947 16.600 1.00 -0.39 O HETATM 916 H ALA A 3 7.239 10.018 16.709 1.00 0.21 H HETATM 917 CG2 ALA A 3 9.127 12.663 16.959 1.00 -0.04 C HETATM 918 H ALA A 3 10.130 12.838 17.347 1.00 0.03 H HETATM 919 H ALA A 3 9.084 12.960 15.911 1.00 0.03 H HETATM 920 H ALA A 3 8.407 13.246 17.533 1.00 0.03 H HETATM 921 H ALA A 3 8.856 10.902 18.130 1.00 0.06 H HETATM 922 H ALA A 3 10.784 10.755 16.391 1.00 0.08 H HETATM 923 H ALA A 3 8.491 10.095 14.595 1.00 0.19 H HETATM 924 CB ALA A 3 9.116 11.808 12.073 1.00 0.08 C HETATM 925 OG ALA A 3 8.547 11.678 10.779 1.00 -0.39 O HETATM 926 H ALA A 3 8.116 12.501 10.536 1.00 0.21 H HETATM 927 H ALA A 3 9.851 12.613 12.054 1.00 0.06 H HETATM 928 H ALA A 3 8.321 12.026 12.786 1.00 0.06 H HETATM 929 H ALA A 3 10.660 10.347 11.827 1.00 0.08 H HETATM 930 H ALA A 3 7.896 9.561 12.512 1.00 0.19 H HETATM 931 H ALA A 3 7.912 7.027 13.248 1.00 0.08 H HETATM 932 H ALA A 3 7.071 6.875 10.448 1.00 0.19 H HETATM 933 CB ALA A 3 5.054 8.958 9.548 1.00 -0.01 C HETATM 934 CG ALA A 3 4.943 10.440 9.780 1.00 -0.02 C HETATM 935 CD ALA A 3 3.495 10.874 9.886 1.00 0.06 C HETATM 936 NE ALA A 3 3.354 12.325 9.786 1.00 -0.27 N HETATM 937 CZ ALA A 3 2.669 13.085 10.643 1.00 0.29 C HETATM 938 NH1 ALA A 3 2.098 12.545 11.717 1.00 -0.28 N HETATM 939 H ALA A 3 2.182 11.543 11.890 1.00 0.26 H HETATM 940 H ALA A 3 1.576 13.133 12.367 1.00 0.26 H HETATM 941 NH2 ALA A 3 2.563 14.388 10.427 1.00 -0.28 N HETATM 942 H ALA A 3 3.004 14.807 9.608 1.00 0.26 H HETATM 943 H ALA A 3 2.040 14.972 11.080 1.00 0.26 H HETATM 944 H ALA A 3 3.813 12.791 9.004 1.00 0.26 H HETATM 945 H ALA A 3 3.113 10.559 10.857 1.00 0.07 H HETATM 946 H ALA A 3 2.940 10.419 9.066 1.00 0.07 H HETATM 947 H ALA A 3 5.400 10.958 8.937 1.00 0.03 H HETATM 948 H ALA A 3 5.447 10.684 10.715 1.00 0.03 H HETATM 949 H ALA A 3 4.243 8.684 8.873 1.00 0.03 H HETATM 950 H ALA A 3 6.057 8.774 9.162 1.00 0.03 H HETATM 951 H ALA A 3 4.766 7.064 10.455 1.00 0.08 H HETATM 952 H ALA A 3 3.354 9.395 11.527 1.00 0.19 H HETATM 953 CB ALA A 3 1.719 7.168 14.391 1.00 -0.02 C HETATM 954 H ALA A 3 0.912 7.575 15.000 1.00 0.03 H HETATM 955 H ALA A 3 1.445 6.173 14.041 1.00 0.03 H HETATM 956 H ALA A 3 2.630 7.107 14.987 1.00 0.03 H HETATM 957 H ALA A 3 2.201 9.078 13.550 1.00 0.08 H HETATM 958 H ALA A 3 0.443 7.356 11.854 1.00 0.19 H HETATM 959 CB ALA A 3 -1.918 7.861 11.463 1.00 0.09 C HETATM 960 OG1 ALA A 3 -1.778 7.166 12.708 1.00 -0.39 O HETATM 961 H ALA A 3 -2.191 6.302 12.639 1.00 0.21 H HETATM 962 CG2 ALA A 3 -1.346 7.030 10.324 1.00 -0.03 C HETATM 963 H ALA A 3 -1.537 7.534 9.377 1.00 0.03 H HETATM 964 H ALA A 3 -0.272 6.913 10.465 1.00 0.03 H HETATM 965 H ALA A 3 -1.821 6.049 10.317 1.00 0.03 H HETATM 966 H ALA A 3 -2.983 8.008 11.282 1.00 0.06 H HETATM 967 H ALA A 3 -1.946 9.942 12.040 1.00 0.08 H HETATM 968 H ALA A 3 -0.334 9.411 9.582 1.00 0.19 H HETATM 969 CB ALA A 3 -1.465 12.478 7.953 1.00 0.00 C HETATM 970 CG ALA A 3 -1.155 12.786 6.499 1.00 0.04 C HETATM 971 CD ALA A 3 -0.229 13.972 6.331 1.00 0.17 C HETATM 972 OE1 ALA A 3 -0.234 14.901 7.138 1.00 -0.40 O HETATM 973 NE2 ALA A 3 0.578 13.940 5.283 1.00 -0.30 N HETATM 974 H ALA A 3 1.231 14.706 5.118 1.00 0.18 H HETATM 975 H ALA A 3 0.547 13.149 4.640 1.00 0.18 H HETATM 976 H ALA A 3 -2.095 13.025 6.002 1.00 0.05 H HETATM 977 H ALA A 3 -0.659 11.914 6.073 1.00 0.05 H HETATM 978 H ALA A 3 -0.583 12.730 8.542 1.00 0.03 H HETATM 979 H ALA A 3 -2.344 13.057 8.235 1.00 0.03 H HETATM 980 H ALA A 3 -0.964 10.434 7.755 1.00 0.08 H HETATM 981 H ALA A 3 -3.907 10.804 8.049 1.00 0.19 H HETATM 982 CB ALA A 3 -4.800 8.273 6.770 1.00 -0.01 C HETATM 983 CG ALA A 3 -4.991 8.528 8.260 1.00 -0.04 C HETATM 984 CD ALA A 3 -5.794 7.426 8.938 1.00 -0.01 C HETATM 985 CE ALA A 3 -5.076 6.087 8.921 1.00 -0.04 C HETATM 986 NZ ALA A 3 -5.886 5.020 9.571 1.00 0.22 N HETATM 987 H ALA A 3 -5.373 4.139 9.540 1.00 0.20 H HETATM 988 H ALA A 3 -6.067 5.276 10.542 1.00 0.20 H HETATM 989 H ALA A 3 -6.771 4.917 9.075 1.00 0.20 H HETATM 990 H ALA A 3 -4.141 6.192 9.471 1.00 0.08 H HETATM 991 H ALA A 3 -4.903 5.803 7.883 1.00 0.08 H HETATM 992 H ALA A 3 -6.732 7.311 8.395 1.00 0.03 H HETATM 993 H ALA A 3 -5.946 7.713 9.979 1.00 0.03 H HETATM 994 H ALA A 3 -5.538 9.464 8.375 1.00 0.03 H HETATM 995 H ALA A 3 -4.006 8.563 8.726 1.00 0.03 H HETATM 996 H ALA A 3 -3.975 7.568 6.667 1.00 0.03 H HETATM 997 H ALA A 3 -5.750 7.907 6.381 1.00 0.03 H HETATM 998 H ALA A 3 -5.195 10.284 6.145 1.00 0.08 H HETATM 999 H ALA A 3 -3.909 8.453 4.171 1.00 0.19 H HETATM 1000 CB ALA A 3 -3.625 10.718 1.669 1.00 0.09 C HETATM 1001 OG1 ALA A 3 -4.143 11.746 0.810 1.00 -0.39 O HETATM 1002 H ALA A 3 -3.421 12.299 0.503 1.00 0.21 H HETATM 1003 CG2 ALA A 3 -2.572 9.904 0.939 1.00 -0.03 C HETATM 1004 H ALA A 3 -2.155 9.160 1.617 1.00 0.03 H HETATM 1005 H ALA A 3 -3.029 9.404 0.085 1.00 0.03 H HETATM 1006 H ALA A 3 -1.779 10.566 0.592 1.00 0.03 H HETATM 1007 H ALA A 3 -3.155 11.187 2.534 1.00 0.06 H HETATM 1008 H ALA A 3 -4.476 8.772 2.050 1.00 0.08 H HETATM 1009 H ALA A 3 -6.605 10.786 1.660 1.00 0.19 H HETATM 1010 CB ALA A 3 -8.718 8.811 0.528 1.00 -0.01 C HETATM 1011 CG ALA A 3 -8.976 9.450 1.883 1.00 -0.02 C HETATM 1012 CD ALA A 3 -9.909 8.610 2.728 1.00 0.06 C HETATM 1013 NE ALA A 3 -10.023 9.128 4.093 1.00 -0.27 N HETATM 1014 CZ ALA A 3 -10.642 8.490 5.088 1.00 0.29 C HETATM 1015 NH1 ALA A 3 -11.264 7.336 4.861 1.00 -0.28 N HETATM 1016 H ALA A 3 -11.269 6.935 3.923 1.00 0.26 H HETATM 1017 H ALA A 3 -11.736 6.852 5.625 1.00 0.26 H HETATM 1018 NH2 ALA A 3 -10.659 9.018 6.307 1.00 -0.28 N HETATM 1019 H ALA A 3 -10.199 9.911 6.482 1.00 0.26 H HETATM 1020 H ALA A 3 -11.132 8.530 7.067 1.00 0.26 H HETATM 1021 H ALA A 3 -9.602 10.035 4.296 1.00 0.26 H HETATM 1022 H ALA A 3 -9.507 7.598 2.779 1.00 0.07 H HETATM 1023 H ALA A 3 -10.898 8.631 2.270 1.00 0.07 H HETATM 1024 H ALA A 3 -9.440 10.423 1.722 1.00 0.03 H HETATM 1025 H ALA A 3 -8.025 9.540 2.407 1.00 0.03 H HETATM 1026 H ALA A 3 -8.374 7.793 0.709 1.00 0.03 H HETATM 1027 H ALA A 3 -9.647 8.866 -0.040 1.00 0.03 H HETATM 1028 H ALA A 3 -7.817 10.593 -0.316 1.00 0.08 H HETATM 1029 H ALA A 3 -8.075 8.102 -1.849 1.00 0.19 H HETATM 1030 CB ALA A 3 -6.267 8.563 -4.731 1.00 -0.00 C HETATM 1031 H ALA A 3 -5.492 9.324 -4.826 1.00 0.03 H HETATM 1032 H ALA A 3 -5.901 7.745 -4.110 1.00 0.03 H HETATM 1033 H ALA A 3 -6.528 8.182 -5.718 1.00 0.03 H HETATM 1034 H ALA A 3 -8.242 8.383 -3.972 1.00 0.11 H HETATM 1035 H ALA A 3 -8.864 10.661 -4.498 1.00 0.20 H HETATM 1036 H ALA A 3 -7.327 10.976 -5.058 1.00 0.20 H HETATM 1037 H ALA A 3 -8.291 9.870 -5.848 1.00 0.20 H CONECT 1 2 12 13 14 CONECT 12 1 CONECT 13 1 CONECT 14 1 CONECT 104 103 108 842 CONECT 155 154 159 842 CONECT 278 277 282 843 CONECT 315 314 319 843 CONECT 384 383 386 842 CONECT 434 433 438 842 CONECT 666 665 670 843 CONECT 715 714 719 843 CONECT 842 104 155 384 434 CONECT 843 278 315 666 715 CONECT 844 845 1035 1036 1037 CONECT 845 844 846 1030 1034 CONECT 846 845 847 848 CONECT 847 846 CONECT 848 846 849 1029 CONECT 849 848 850 1010 1028 CONECT 850 849 851 852 CONECT 851 850 CONECT 852 850 853 1009 CONECT 853 852 854 1000 1008 CONECT 854 853 855 856 CONECT 855 854 CONECT 856 854 857 999 CONECT 857 856 858 982 998 CONECT 858 857 859 860 CONECT 859 858 CONECT 860 858 861 981 CONECT 861 860 862 969 980 CONECT 862 861 863 864 CONECT 863 862 CONECT 864 862 865 968 CONECT 865 864 866 959 967 CONECT 866 865 867 868 CONECT 867 866 CONECT 868 866 869 958 CONECT 869 868 870 953 957 CONECT 870 869 871 872 CONECT 871 870 CONECT 872 870 873 952 CONECT 873 872 874 933 951 CONECT 874 873 875 876 CONECT 875 874 CONECT 876 874 877 932 CONECT 877 876 878 903 931 CONECT 878 877 879 901 902 CONECT 879 878 880 899 900 CONECT 880 879 881 897 898 CONECT 881 880 882 895 896 CONECT 882 881 883 887 891 CONECT 883 882 884 885 886 CONECT 884 883 CONECT 885 883 CONECT 886 883 CONECT 887 882 888 889 890 CONECT 888 887 CONECT 889 887 CONECT 890 887 CONECT 891 882 892 893 894 CONECT 892 891 CONECT 893 891 CONECT 894 891 CONECT 895 881 CONECT 896 881 CONECT 897 880 CONECT 898 880 CONECT 899 879 CONECT 900 879 CONECT 901 878 CONECT 902 878 CONECT 903 877 904 905 CONECT 904 903 CONECT 905 903 906 930 CONECT 906 905 907 924 929 CONECT 907 906 908 909 CONECT 908 907 CONECT 909 907 910 923 CONECT 910 909 911 914 922 CONECT 911 910 912 913 CONECT 912 911 CONECT 913 911 CONECT 914 910 915 917 921 CONECT 915 914 916 CONECT 916 915 CONECT 917 914 918 919 920 CONECT 918 917 CONECT 919 917 CONECT 920 917 CONECT 921 914 CONECT 922 910 CONECT 923 909 CONECT 924 906 925 927 928 CONECT 925 924 926 CONECT 926 925 CONECT 927 924 CONECT 928 924 CONECT 929 906 CONECT 930 905 CONECT 931 877 CONECT 932 876 CONECT 933 873 934 949 950 CONECT 934 933 935 947 948 CONECT 935 934 936 945 946 CONECT 936 935 937 944 CONECT 937 936 938 941 CONECT 938 937 939 940 CONECT 939 938 CONECT 940 938 CONECT 941 937 942 943 CONECT 942 941 CONECT 943 941 CONECT 944 936 CONECT 945 935 CONECT 946 935 CONECT 947 934 CONECT 948 934 CONECT 949 933 CONECT 950 933 CONECT 951 873 CONECT 952 872 CONECT 953 869 954 955 956 CONECT 954 953 CONECT 955 953 CONECT 956 953 CONECT 957 869 CONECT 958 868 CONECT 959 865 960 962 966 CONECT 960 959 961 CONECT 961 960 CONECT 962 959 963 964 965 CONECT 963 962 CONECT 964 962 CONECT 965 962 CONECT 966 959 CONECT 967 865 CONECT 968 864 CONECT 969 861 970 978 979 CONECT 970 969 971 976 977 CONECT 971 970 972 973 CONECT 972 971 CONECT 973 971 974 975 CONECT 974 973 CONECT 975 973 CONECT 976 970 CONECT 977 970 CONECT 978 969 CONECT 979 969 CONECT 980 861 CONECT 981 860 CONECT 982 857 983 996 997 CONECT 983 982 984 994 995 CONECT 984 983 985 992 993 CONECT 985 984 986 990 991 CONECT 986 985 987 988 989 CONECT 987 986 CONECT 988 986 CONECT 989 986 CONECT 990 985 CONECT 991 985 CONECT 992 984 CONECT 993 984 CONECT 994 983 CONECT 995 983 CONECT 996 982 CONECT 997 982 CONECT 998 857 CONECT 999 856 CONECT 1000 853 1001 1003 1007 CONECT 1001 1000 1002 CONECT 1002 1001 CONECT 1003 1000 1004 1005 1006 CONECT 1004 1003 CONECT 1005 1003 CONECT 1006 1003 CONECT 1007 1000 CONECT 1008 853 CONECT 1009 852 CONECT 1010 849 1011 1026 1027 CONECT 1011 1010 1012 1024 1025 CONECT 1012 1011 1013 1022 1023 CONECT 1013 1012 1014 1021 CONECT 1014 1013 1015 1018 CONECT 1015 1014 1016 1017 CONECT 1016 1015 CONECT 1017 1015 CONECT 1018 1014 1019 1020 CONECT 1019 1018 CONECT 1020 1018 CONECT 1021 1013 CONECT 1022 1012 CONECT 1023 1012 CONECT 1024 1011 CONECT 1025 1011 CONECT 1026 1010 CONECT 1027 1010 CONECT 1028 849 CONECT 1029 848 CONECT 1030 845 1031 1032 1033 CONECT 1031 1030 CONECT 1032 1030 CONECT 1033 1030 CONECT 1034 845 CONECT 1035 844 CONECT 1036 844 CONECT 1037 844 MASTER 0 0 0 0 0 0 0 0 1036 1 208 5 END
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Entry Information
PDB ID
2l75
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Chromodomain-helicase-DNA-binding protein 4(CHD4-PHD2)
Ligand Name
14-mer
EC.Number
E.C.3.6.4.12
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=0.9uM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2011) J.Biol.Chem. Vol. 286: pp. 11779-11791
Ligand Properties
Formula
C
5
3
H
1
0
5
N
2
0
O
1
7
Molecular Weight
1294.520
Exact Mass
1293.800
No. of atoms
195
No. of bonds
194
Polar Surface Area
639.61
LOGP Value
-6.38 (
Computed with XLOGP3
)
-8.06 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
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)O)[C@H](O)C)CO)CCCC[N+](C)(C)C)CCC[NH+]=C(N)N)C)[C@H](O)C)CCC(=O)N)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@@H]([NH3+])C)CCC[NH+]=C(N)N
InChI String
InChI=1S/C53H100N20O17/c1-26(55)41(79)64-34(18-14-23-62-53(59)60)46(84)71-39(29(4)76)50(88)68-32(15-9-11-21-54)43(81)67-35(19-20-37(56)78)47(85)70-38(28(3)75)49(87)63-27(2)42(80)65-33(17-13-22-61-52(57)58)44(82)66-31(16-10-12-24-73(6,7)8)45(83)69-36(25-74)48(86)72-40(30(5)77)51(89)90/h26-36,38-40,74-77H,9-25,54-55H2,1-8H3,(H20-,56,57,58,59,60,61,62,63,64,65,66,67,68,69,70,71,72,78,79,80,81,82,83,84,85,86,87,88,89,90)/p+5/t26-,27-,28+,29+,30+,31-,32-,33-,34-,35-,36-,38-,39-,40-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q14839
P68431
Entrez Gene ID
NCBI Entrez Gene ID:
1108
8350
8351
8352
8353
8354
8355
8356
8357
8358
8968
ASD
Information of known allosteric effects of PDB entries
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