Browse entries in the PDBbind-CN Database
HEADER 4QSV_COMPLEX COMPND 4QSV_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 SER MET GLN GLU GLU ASP THR PHE ARG GLU LEU ARG ILE SEQRES 2 A 130 PHE LEU ARG ASN VAL THR HIS ARG LEU ALA ILE ASP LYS SEQRES 3 A 130 ARG PHE ARG VAL PHE THR LYS PRO VAL ASP PRO ASP GLU SEQRES 4 A 130 VAL PRO ASP TYR VAL THR VAL ILE LYS GLN PRO MET ASP SEQRES 5 A 130 LEU SER SER VAL ILE SER LYS ILE ASP LEU HIS LYS TYR SEQRES 6 A 130 LEU THR VAL LYS ASP TYR LEU ARG ASP ILE ASP LEU ILE SEQRES 7 A 130 CYS SER ASN ALA LEU GLU TYR ASN PRO ASP ARG ASP PRO SEQRES 8 A 130 GLY ASP ARG LEU ILE ARG HIS ARG ALA CYS ALA LEU ARG SEQRES 9 A 130 ASP THR ALA TYR ALA ILE ILE LYS GLU GLU LEU ASP GLU SEQRES 10 A 130 ASP PHE GLU GLN LEU CYS GLU GLU ILE GLN GLU SER ARG HET THM A 337 31 ATOM 1 N SER A 979 -12.742 46.280 3.037 1.00 87.19 N ATOM 2 CA SER A 979 -12.960 45.943 4.475 1.00 85.25 C ATOM 3 C SER A 979 -11.846 46.592 5.364 1.00 87.47 C ATOM 4 O SER A 979 -10.681 46.651 4.965 1.00 76.45 O ATOM 5 CB SER A 979 -13.053 44.407 4.612 1.00 81.61 C ATOM 6 OG SER A 979 -13.248 43.948 5.940 1.00 82.79 O ATOM 7 HG SER A 979 -13.297 42.959 5.942 1.00 0.00 H ATOM 8 HN3 SER A 979 -11.814 45.920 2.735 1.00 0.00 H ATOM 9 HN2 SER A 979 -12.771 47.313 2.916 1.00 0.00 H ATOM 10 HN1 SER A 979 -13.490 45.842 2.462 1.00 0.00 H ATOM 11 N MET A 980 -12.233 47.141 6.527 1.00 95.04 N ATOM 12 CA MET A 980 -11.273 47.513 7.587 1.00 97.18 C ATOM 13 C MET A 980 -10.457 46.276 7.985 1.00 86.67 C ATOM 14 O MET A 980 -9.253 46.379 8.208 1.00 80.90 O ATOM 15 CB MET A 980 -11.985 48.039 8.849 1.00110.62 C ATOM 16 CG MET A 980 -12.528 49.464 8.786 1.00124.98 C ATOM 17 SD MET A 980 -11.500 50.722 9.593 1.00143.28 S ATOM 18 CE MET A 980 -11.582 50.260 11.325 1.00144.94 C ATOM 19 H MET A 980 -13.246 47.311 6.688 1.00 0.00 H ATOM 20 N GLN A 981 -11.127 45.123 8.104 1.00 81.44 N ATOM 21 CA GLN A 981 -10.438 43.856 8.385 1.00 76.41 C ATOM 22 C GLN A 981 -9.488 43.503 7.266 1.00 66.55 C ATOM 23 O GLN A 981 -8.426 42.929 7.535 1.00 64.38 O ATOM 24 CB GLN A 981 -11.393 42.676 8.598 1.00 82.52 C ATOM 25 CG GLN A 981 -12.161 42.680 9.908 1.00 89.05 C ATOM 26 CD GLN A 981 -13.305 43.673 9.892 1.00 93.18 C ATOM 27 OE1 GLN A 981 -13.406 44.507 8.984 1.00 93.66 O ATOM 28 NE2 GLN A 981 -14.168 43.599 10.894 1.00 96.18 N ATOM 29 HE22 GLN A 981 -14.043 42.881 11.636 1.00 0.00 H ATOM 30 HE21 GLN A 981 -14.970 44.259 10.939 1.00 0.00 H ATOM 31 H GLN A 981 -12.161 45.124 7.995 1.00 0.00 H ATOM 32 N GLU A 982 -9.841 43.834 6.024 1.00 58.92 N ATOM 33 CA GLU A 982 -8.906 43.573 4.918 1.00 56.00 C ATOM 34 C GLU A 982 -7.770 44.554 4.950 1.00 52.94 C ATOM 35 O GLU A 982 -6.619 44.179 4.672 1.00 49.57 O ATOM 36 CB GLU A 982 -9.597 43.556 3.559 1.00 57.53 C ATOM 37 CG GLU A 982 -10.514 42.326 3.423 1.00 59.51 C ATOM 38 CD GLU A 982 -11.419 42.353 2.197 1.00 60.60 C ATOM 39 OE1 GLU A 982 -11.437 43.382 1.486 1.00 60.90 O ATOM 40 OE2 GLU A 982 -12.064 41.321 1.923 1.00 59.68 O ATOM 41 H GLU A 982 -10.766 44.271 5.839 1.00 0.00 H ATOM 42 N GLU A 983 -8.057 45.810 5.301 1.00 51.63 N ATOM 43 CA GLU A 983 -6.960 46.764 5.370 1.00 52.82 C ATOM 44 C GLU A 983 -5.947 46.405 6.504 1.00 48.91 C ATOM 45 O GLU A 983 -4.788 46.601 6.334 1.00 48.01 O ATOM 46 CB GLU A 983 -7.479 48.195 5.451 1.00 58.90 C ATOM 47 CG GLU A 983 -8.121 48.698 4.138 1.00 64.89 C ATOM 48 CD GLU A 983 -7.409 48.185 2.856 1.00 68.80 C ATOM 49 OE1 GLU A 983 -8.073 47.515 2.017 1.00 72.40 O ATOM 50 OE2 GLU A 983 -6.181 48.399 2.692 1.00 69.42 O ATOM 51 H GLU A 983 -9.033 46.097 5.518 1.00 0.00 H ATOM 52 N ASP A 984 -6.425 45.908 7.647 1.00 48.14 N ATOM 53 CA ASP A 984 -5.544 45.437 8.700 1.00 49.10 C ATOM 54 C ASP A 984 -4.642 44.263 8.208 1.00 47.41 C ATOM 55 O ASP A 984 -3.476 44.237 8.533 1.00 46.13 O ATOM 56 CB ASP A 984 -6.303 44.989 9.916 1.00 51.87 C ATOM 57 CG ASP A 984 -6.941 46.158 10.715 1.00 56.10 C ATOM 58 OD1 ASP A 984 -6.831 47.399 10.472 1.00 59.01 O ATOM 59 OD2 ASP A 984 -7.545 45.773 11.642 1.00 61.02 O ATOM 60 H ASP A 984 -7.454 45.857 7.786 1.00 0.00 H ATOM 61 N THR A 985 -5.223 43.335 7.434 1.00 22.09 N ATOM 62 CA THR A 985 -4.441 42.300 6.738 1.00 21.17 C ATOM 63 C THR A 985 -3.284 42.896 5.910 1.00 21.52 C ATOM 64 O THR A 985 -2.104 42.519 6.090 1.00 19.43 O ATOM 65 CB THR A 985 -5.346 41.347 5.913 1.00 23.16 C ATOM 66 OG1 THR A 985 -6.338 40.806 6.769 1.00 24.94 O ATOM 67 CG2 THR A 985 -4.561 40.227 5.352 1.00 23.82 C ATOM 68 HG1 THR A 985 -5.901 40.304 7.502 1.00 0.00 H ATOM 69 H THR A 985 -6.257 43.347 7.322 1.00 0.00 H ATOM 70 N PHE A 986 -3.592 43.837 5.035 1.00 21.54 N ATOM 71 CA PHE A 986 -2.537 44.349 4.191 1.00 21.91 C ATOM 72 C PHE A 986 -1.514 45.192 4.967 1.00 20.36 C ATOM 73 O PHE A 986 -0.352 45.231 4.582 1.00 19.54 O ATOM 74 CB PHE A 986 -3.106 45.136 3.012 1.00 23.99 C ATOM 75 CG PHE A 986 -3.860 44.257 2.036 1.00 26.04 C ATOM 76 CD1 PHE A 986 -3.247 43.143 1.487 1.00 26.22 C ATOM 77 CD2 PHE A 986 -5.153 44.522 1.710 1.00 28.03 C ATOM 78 CE1 PHE A 986 -3.919 42.319 0.596 1.00 28.24 C ATOM 79 CE2 PHE A 986 -5.844 43.693 0.819 1.00 29.51 C ATOM 80 CZ PHE A 986 -5.226 42.599 0.270 1.00 28.30 C ATOM 81 H PHE A 986 -4.564 44.198 4.956 1.00 0.00 H ATOM 82 N ARG A 987 -1.940 45.894 6.006 1.00 21.07 N ATOM 83 CA ARG A 987 -0.991 46.675 6.773 1.00 21.40 C ATOM 84 C ARG A 987 0.014 45.709 7.420 1.00 20.19 C ATOM 85 O ARG A 987 1.226 45.986 7.453 1.00 19.36 O ATOM 86 CB ARG A 987 -1.711 47.514 7.815 1.00 24.80 C ATOM 87 CG ARG A 987 -0.868 48.694 8.294 1.00 26.94 C ATOM 88 CD ARG A 987 -1.681 49.668 9.121 1.00 28.43 C ATOM 89 NE ARG A 987 -2.815 50.170 8.386 1.00 29.48 N ATOM 90 CZ ARG A 987 -4.088 49.824 8.615 1.00 29.95 C ATOM 91 NH1 ARG A 987 -4.415 48.934 9.549 1.00 29.38 N ATOM 92 NH2 ARG A 987 -5.028 50.359 7.870 1.00 28.70 N ATOM 93 HE ARG A 987 -2.631 50.851 7.622 1.00 0.00 H ATOM 94 HH12 ARG A 987 -5.413 48.685 9.704 1.00 0.00 H ATOM 95 HH11 ARG A 987 -3.673 48.487 10.124 1.00 0.00 H ATOM 96 HH22 ARG A 987 -6.024 50.106 8.029 1.00 0.00 H ATOM 97 HH21 ARG A 987 -4.776 51.036 7.121 1.00 0.00 H ATOM 98 H ARG A 987 -2.946 45.885 6.269 1.00 0.00 H ATOM 99 N GLU A 988 -0.489 44.585 7.922 1.00 19.05 N ATOM 100 CA GLU A 988 0.381 43.559 8.530 1.00 19.22 C ATOM 101 C GLU A 988 1.329 42.959 7.492 1.00 18.17 C ATOM 102 O GLU A 988 2.539 42.801 7.756 1.00 17.12 O ATOM 103 CB GLU A 988 -0.414 42.478 9.271 1.00 20.22 C ATOM 104 CG GLU A 988 0.482 41.322 9.719 1.00 20.17 C ATOM 105 CD GLU A 988 -0.153 40.371 10.700 1.00 22.71 C ATOM 106 OE1 GLU A 988 -1.314 40.591 11.130 1.00 23.45 O ATOM 107 OE2 GLU A 988 0.479 39.341 11.025 1.00 23.40 O ATOM 108 H GLU A 988 -1.516 44.426 7.886 1.00 0.00 H ATOM 109 N LEU A 989 0.818 42.692 6.287 1.00 18.02 N ATOM 110 CA LEU A 989 1.675 42.264 5.187 1.00 17.65 C ATOM 111 C LEU A 989 2.791 43.234 4.962 1.00 17.36 C ATOM 112 O LEU A 989 3.920 42.843 4.755 1.00 16.54 O ATOM 113 CB LEU A 989 0.885 42.148 3.868 1.00 18.84 C ATOM 114 CG LEU A 989 1.687 41.784 2.600 1.00 19.35 C ATOM 115 CD1 LEU A 989 2.337 40.399 2.672 1.00 19.54 C ATOM 116 CD2 LEU A 989 0.756 41.870 1.387 1.00 21.45 C ATOM 117 H LEU A 989 -0.205 42.791 6.131 1.00 0.00 H ATOM 118 N ARG A 990 2.473 44.520 4.885 1.00 17.67 N ATOM 119 CA ARG A 990 3.532 45.505 4.607 1.00 16.85 C ATOM 120 C ARG A 990 4.578 45.534 5.694 1.00 16.34 C ATOM 121 O ARG A 990 5.793 45.656 5.427 1.00 16.61 O ATOM 122 CB ARG A 990 2.926 46.882 4.352 1.00 17.79 C ATOM 123 CG ARG A 990 2.075 46.891 3.094 1.00 18.49 C ATOM 124 CD ARG A 990 1.671 48.331 2.733 1.00 19.66 C ATOM 125 NE ARG A 990 0.760 48.944 3.720 1.00 20.94 N ATOM 126 CZ ARG A 990 -0.567 48.824 3.674 1.00 22.71 C ATOM 127 NH1 ARG A 990 -1.289 49.459 4.555 1.00 24.28 N ATOM 128 NH2 ARG A 990 -1.152 48.080 2.743 1.00 23.30 N ATOM 129 HE ARG A 990 1.176 49.500 4.494 1.00 0.00 H ATOM 130 HH12 ARG A 990 -2.326 49.377 4.534 1.00 0.00 H ATOM 131 HH11 ARG A 990 -0.828 50.047 5.278 1.00 0.00 H ATOM 132 HH22 ARG A 990 -2.188 47.996 2.720 1.00 0.00 H ATOM 133 HH21 ARG A 990 -0.574 47.581 2.037 1.00 0.00 H ATOM 134 H ARG A 990 1.489 44.828 5.019 1.00 0.00 H ATOM 135 N ILE A 991 4.135 45.402 6.933 1.00 17.15 N ATOM 136 CA ILE A 991 5.057 45.363 8.080 1.00 17.70 C ATOM 137 C ILE A 991 6.017 44.183 7.964 1.00 16.78 C ATOM 138 O ILE A 991 7.254 44.317 8.127 1.00 17.21 O ATOM 139 CB ILE A 991 4.295 45.354 9.407 1.00 18.46 C ATOM 140 CG1 ILE A 991 3.618 46.740 9.626 1.00 20.06 C ATOM 141 CG2 ILE A 991 5.242 45.018 10.557 1.00 19.27 C ATOM 142 CD1 ILE A 991 2.514 46.729 10.673 1.00 21.11 C ATOM 143 H ILE A 991 3.112 45.324 7.101 1.00 0.00 H ATOM 144 N PHE A 992 5.444 43.038 7.676 1.00 16.89 N ATOM 145 CA PHE A 992 6.216 41.826 7.447 1.00 16.94 C ATOM 146 C PHE A 992 7.252 41.981 6.315 1.00 16.54 C ATOM 147 O PHE A 992 8.438 41.665 6.495 1.00 17.70 O ATOM 148 CB PHE A 992 5.267 40.642 7.227 1.00 18.03 C ATOM 149 CG PHE A 992 5.970 39.363 6.847 1.00 18.00 C ATOM 150 CD1 PHE A 992 6.640 38.593 7.805 1.00 21.24 C ATOM 151 CD2 PHE A 992 5.960 38.921 5.552 1.00 19.10 C ATOM 152 CE1 PHE A 992 7.302 37.421 7.458 1.00 20.45 C ATOM 153 CE2 PHE A 992 6.627 37.731 5.212 1.00 19.73 C ATOM 154 CZ PHE A 992 7.273 36.992 6.173 1.00 19.84 C ATOM 155 H PHE A 992 4.407 42.996 7.609 1.00 0.00 H ATOM 156 N LEU A 993 6.832 42.537 5.190 1.00 16.33 N ATOM 157 CA LEU A 993 7.729 42.723 4.052 1.00 16.17 C ATOM 158 C LEU A 993 8.838 43.709 4.299 1.00 15.60 C ATOM 159 O LEU A 993 9.965 43.510 3.806 1.00 15.08 O ATOM 160 CB LEU A 993 6.959 43.092 2.775 1.00 16.41 C ATOM 161 CG LEU A 993 5.925 42.063 2.273 1.00 16.90 C ATOM 162 CD1 LEU A 993 5.217 42.610 1.032 1.00 17.12 C ATOM 163 CD2 LEU A 993 6.560 40.685 2.006 1.00 17.16 C ATOM 164 H LEU A 993 5.843 42.848 5.114 1.00 0.00 H ATOM 165 N ARG A 994 8.541 44.782 5.003 1.00 15.81 N ATOM 166 CA ARG A 994 9.575 45.753 5.348 1.00 16.86 C ATOM 167 C ARG A 994 10.615 45.129 6.247 1.00 16.27 C ATOM 168 O ARG A 994 11.821 45.370 6.102 1.00 17.13 O ATOM 169 CB ARG A 994 8.979 46.936 6.068 1.00 18.09 C ATOM 170 CG ARG A 994 8.254 47.939 5.198 1.00 18.49 C ATOM 171 CD ARG A 994 7.919 49.207 6.014 1.00 20.17 C ATOM 172 NE ARG A 994 6.823 49.859 5.362 1.00 20.76 N ATOM 173 CZ ARG A 994 5.538 49.748 5.670 1.00 21.44 C ATOM 174 NH1 ARG A 994 5.132 49.169 6.781 1.00 21.42 N ATOM 175 NH2 ARG A 994 4.650 50.296 4.855 1.00 22.81 N ATOM 176 HE ARG A 994 7.059 50.484 4.565 1.00 0.00 H ATOM 177 HH12 ARG A 994 4.116 49.100 6.990 1.00 0.00 H ATOM 178 HH11 ARG A 994 5.828 48.781 7.449 1.00 0.00 H ATOM 179 HH22 ARG A 994 3.635 50.226 5.069 1.00 0.00 H ATOM 180 HH21 ARG A 994 4.968 50.796 4.001 1.00 0.00 H ATOM 181 H ARG A 994 7.562 44.939 5.316 1.00 0.00 H ATOM 182 N ASN A 995 10.170 44.313 7.185 1.00 16.05 N ATOM 183 CA ASN A 995 11.079 43.627 8.064 1.00 17.38 C ATOM 184 C ASN A 995 11.995 42.658 7.335 1.00 17.32 C ATOM 185 O ASN A 995 13.210 42.705 7.499 1.00 15.47 O ATOM 186 CB ASN A 995 10.331 42.946 9.178 1.00 19.69 C ATOM 187 CG ASN A 995 11.260 42.156 10.073 1.00 23.87 C ATOM 188 OD1 ASN A 995 11.392 41.003 9.910 1.00 22.00 O ATOM 189 ND2 ASN A 995 11.942 42.842 11.035 1.00 28.95 N ATOM 190 HD22 ASN A 995 11.796 43.866 11.146 1.00 0.00 H ATOM 191 HD21 ASN A 995 12.608 42.341 11.657 1.00 0.00 H ATOM 192 H ASN A 995 9.146 44.164 7.290 1.00 0.00 H ATOM 193 N VAL A 996 11.435 41.798 6.478 1.00 16.61 N ATOM 194 CA VAL A 996 12.255 40.892 5.677 1.00 15.85 C ATOM 195 C VAL A 996 13.230 41.664 4.786 1.00 15.97 C ATOM 196 O VAL A 996 14.436 41.354 4.736 1.00 16.95 O ATOM 197 CB VAL A 996 11.363 39.988 4.776 1.00 15.14 C ATOM 198 CG1 VAL A 996 12.227 39.110 3.880 1.00 16.47 C ATOM 199 CG2 VAL A 996 10.473 39.121 5.653 1.00 15.99 C ATOM 200 H VAL A 996 10.400 41.774 6.380 1.00 0.00 H ATOM 201 N THR A 997 12.741 42.703 4.124 1.00 16.45 N ATOM 202 CA THR A 997 13.552 43.483 3.201 1.00 16.89 C ATOM 203 C THR A 997 14.717 44.184 3.913 1.00 19.35 C ATOM 204 O THR A 997 15.839 44.161 3.391 1.00 19.40 O ATOM 205 CB THR A 997 12.717 44.492 2.408 1.00 17.78 C ATOM 206 OG1 THR A 997 11.632 43.825 1.790 1.00 17.45 O ATOM 207 CG2 THR A 997 13.542 45.133 1.318 1.00 19.46 C ATOM 208 HG1 THR A 997 11.067 43.402 2.485 1.00 0.00 H ATOM 209 H THR A 997 11.746 42.969 4.269 1.00 0.00 H ATOM 210 N HIS A 998 14.464 44.745 5.102 1.00 18.98 N ATOM 211 CA HIS A 998 15.529 45.363 5.929 1.00 21.65 C ATOM 212 C HIS A 998 16.638 44.367 6.285 1.00 20.77 C ATOM 213 O HIS A 998 17.867 44.629 6.254 1.00 20.34 O ATOM 214 CB HIS A 998 14.889 45.923 7.223 1.00 23.78 C ATOM 215 CG HIS A 998 15.896 46.491 8.174 1.00 30.23 C ATOM 216 ND1 HIS A 998 16.565 47.676 7.923 1.00 31.67 N ATOM 217 CD2 HIS A 998 16.419 46.008 9.334 1.00 33.59 C ATOM 218 CE1 HIS A 998 17.442 47.907 8.886 1.00 33.10 C ATOM 219 NE2 HIS A 998 17.358 46.922 9.766 1.00 35.96 N ATOM 220 H HIS A 998 13.487 44.748 5.458 1.00 0.00 H ATOM 221 N ARG A 999 16.223 43.162 6.633 1.00 20.08 N ATOM 222 CA ARG A 999 17.213 42.152 6.975 1.00 18.86 C ATOM 223 C ARG A 999 18.088 41.739 5.808 1.00 18.88 C ATOM 224 O ARG A 999 19.267 41.386 5.995 1.00 19.74 O ATOM 225 CB ARG A 999 16.530 40.955 7.624 1.00 19.38 C ATOM 226 CG ARG A 999 16.035 41.245 9.031 1.00 20.35 C ATOM 227 CD ARG A 999 14.788 40.458 9.446 1.00 19.86 C ATOM 228 NE ARG A 999 15.090 39.060 9.575 1.00 19.31 N ATOM 229 CZ ARG A 999 14.198 38.103 9.781 1.00 19.35 C ATOM 230 NH1 ARG A 999 14.626 36.825 9.943 1.00 19.57 N ATOM 231 NH2 ARG A 999 12.931 38.405 9.880 1.00 19.28 N ATOM 232 HE ARG A 999 16.088 38.777 9.501 1.00 0.00 H ATOM 233 HH12 ARG A 999 13.937 36.063 10.106 1.00 0.00 H ATOM 234 HH11 ARG A 999 15.642 36.608 9.905 1.00 0.00 H ATOM 235 HH22 ARG A 999 12.229 37.655 10.042 1.00 0.00 H ATOM 236 HH21 ARG A 999 12.624 39.395 9.797 1.00 0.00 H ATOM 237 H ARG A 999 15.208 42.939 6.662 1.00 0.00 H ATOM 238 N LEU A1000 17.532 41.739 4.612 1.00 18.32 N ATOM 239 CA LEU A1000 18.292 41.501 3.423 1.00 19.32 C ATOM 240 C LEU A1000 19.193 42.690 3.113 1.00 20.49 C ATOM 241 O LEU A1000 20.356 42.511 2.775 1.00 19.87 O ATOM 242 CB LEU A1000 17.401 41.254 2.222 1.00 19.06 C ATOM 243 CG LEU A1000 16.462 40.087 2.342 1.00 18.58 C ATOM 244 CD1 LEU A1000 15.516 40.079 1.163 1.00 19.30 C ATOM 245 CD2 LEU A1000 17.198 38.767 2.477 1.00 19.43 C ATOM 246 H LEU A1000 16.511 41.917 4.531 1.00 0.00 H ATOM 247 N ALA A1001 18.645 43.881 3.215 1.00 19.46 N ATOM 248 CA ALA A1001 19.345 45.094 2.858 1.00 21.68 C ATOM 249 C ALA A1001 20.562 45.351 3.741 1.00 24.95 C ATOM 250 O ALA A1001 21.502 45.961 3.242 1.00 24.67 O ATOM 251 CB ALA A1001 18.411 46.305 2.901 1.00 22.28 C ATOM 252 H ALA A1001 17.669 43.953 3.567 1.00 0.00 H ATOM 253 N ILE A1002 20.554 44.901 4.999 1.00 25.01 N ATOM 254 CA ILE A1002 21.700 45.140 5.870 1.00 28.74 C ATOM 255 C ILE A1002 22.799 44.113 5.753 1.00 30.32 C ATOM 256 O ILE A1002 23.861 44.305 6.329 1.00 32.43 O ATOM 257 CB ILE A1002 21.344 45.292 7.365 1.00 30.35 C ATOM 258 CG1 ILE A1002 20.819 44.003 7.985 1.00 29.21 C ATOM 259 CG2 ILE A1002 20.425 46.471 7.553 1.00 32.71 C ATOM 260 CD1 ILE A1002 20.129 44.215 9.323 1.00 31.99 C ATOM 261 H ILE A1002 19.729 44.379 5.358 1.00 0.00 H ATOM 262 N ASP A1003 22.565 43.036 5.012 1.00 26.56 N ATOM 263 CA ASP A1003 23.542 41.996 4.865 1.00 28.44 C ATOM 264 C ASP A1003 24.593 42.472 3.873 1.00 29.14 C ATOM 265 O ASP A1003 24.286 42.845 2.731 1.00 27.00 O ATOM 266 CB ASP A1003 22.867 40.722 4.334 1.00 29.01 C ATOM 267 CG ASP A1003 23.774 39.521 4.362 1.00 29.59 C ATOM 268 OD1 ASP A1003 24.906 39.531 3.815 1.00 29.51 O ATOM 269 OD2 ASP A1003 23.309 38.519 4.911 1.00 29.30 O ATOM 270 H ASP A1003 21.650 42.944 4.526 1.00 0.00 H ATOM 271 N LYS A1004 25.851 42.457 4.301 1.00 30.11 N ATOM 272 CA LYS A1004 26.955 42.901 3.440 1.00 32.19 C ATOM 273 C LYS A1004 27.072 42.256 2.077 1.00 29.16 C ATOM 274 O LYS A1004 27.486 42.888 1.118 1.00 27.08 O ATOM 275 CB LYS A1004 28.305 42.698 4.150 1.00 38.50 C ATOM 276 CG LYS A1004 28.648 43.885 4.983 1.00 46.97 C ATOM 277 CD LYS A1004 29.928 43.632 5.791 1.00 56.17 C ATOM 278 CE LYS A1004 30.717 44.927 6.016 1.00 65.67 C ATOM 279 NZ LYS A1004 32.194 44.668 6.056 1.00 69.94 N ATOM 280 HZ1 LYS A1004 32.409 44.011 6.833 1.00 0.00 H ATOM 281 HZ2 LYS A1004 32.496 44.250 5.153 1.00 0.00 H ATOM 282 HZ3 LYS A1004 32.698 45.565 6.210 1.00 0.00 H ATOM 283 H LYS A1004 26.058 42.124 5.264 1.00 0.00 H ATOM 284 N ARG A1005 26.710 40.994 1.998 1.00 27.35 N ATOM 285 CA ARG A1005 26.806 40.294 0.750 1.00 27.00 C ATOM 286 C ARG A1005 25.883 40.934 -0.294 1.00 25.98 C ATOM 287 O ARG A1005 26.159 40.820 -1.485 1.00 28.19 O ATOM 288 CB ARG A1005 26.379 38.860 0.938 1.00 26.18 C ATOM 289 CG ARG A1005 27.304 38.056 1.834 1.00 28.99 C ATOM 290 CD ARG A1005 26.702 36.699 2.052 1.00 28.82 C ATOM 291 NE ARG A1005 25.509 36.768 2.853 1.00 30.31 N ATOM 292 CZ ARG A1005 24.742 35.712 3.083 1.00 31.09 C ATOM 293 NH1 ARG A1005 25.064 34.534 2.524 1.00 32.16 N ATOM 294 NH2 ARG A1005 23.680 35.821 3.866 1.00 30.28 N ATOM 295 HE ARG A1005 25.238 37.682 3.268 1.00 0.00 H ATOM 296 HH12 ARG A1005 24.471 33.697 2.696 1.00 0.00 H ATOM 297 HH11 ARG A1005 25.907 34.459 1.919 1.00 0.00 H ATOM 298 HH22 ARG A1005 23.079 34.991 4.046 1.00 0.00 H ATOM 299 HH21 ARG A1005 23.447 36.736 4.301 1.00 0.00 H ATOM 300 H ARG A1005 26.353 40.503 2.842 1.00 0.00 H ATOM 301 N PHE A1006 24.814 41.608 0.155 1.00 24.97 N ATOM 302 CA PHE A1006 23.729 42.024 -0.737 1.00 22.89 C ATOM 303 C PHE A1006 23.780 43.491 -1.076 1.00 25.50 C ATOM 304 O PHE A1006 22.862 44.039 -1.715 1.00 24.96 O ATOM 305 CB PHE A1006 22.374 41.629 -0.179 1.00 22.01 C ATOM 306 CG PHE A1006 22.263 40.192 0.178 1.00 21.64 C ATOM 307 CD1 PHE A1006 22.961 39.232 -0.516 1.00 21.38 C ATOM 308 CD2 PHE A1006 21.490 39.804 1.251 1.00 21.22 C ATOM 309 CE1 PHE A1006 22.884 37.923 -0.161 1.00 21.77 C ATOM 310 CE2 PHE A1006 21.414 38.503 1.620 1.00 21.30 C ATOM 311 CZ PHE A1006 22.129 37.544 0.917 1.00 21.87 C ATOM 312 H PHE A1006 24.754 41.842 1.166 1.00 0.00 H ATOM 313 N ARG A1007 24.873 44.144 -0.721 1.00 26.93 N ATOM 314 CA ARG A1007 24.998 45.572 -0.929 1.00 30.22 C ATOM 315 C ARG A1007 24.766 46.023 -2.342 1.00 29.39 C ATOM 316 O ARG A1007 24.165 47.067 -2.584 1.00 29.12 O ATOM 317 CB ARG A1007 26.408 46.052 -0.474 1.00 35.06 C ATOM 318 CG ARG A1007 26.616 47.536 -0.581 1.00 42.48 C ATOM 319 CD ARG A1007 27.923 47.967 0.095 1.00 53.57 C ATOM 320 NE ARG A1007 28.046 49.431 0.159 1.00 65.12 N ATOM 321 CZ ARG A1007 27.289 50.240 0.915 1.00 73.19 C ATOM 322 NH1 ARG A1007 27.502 51.557 0.880 1.00 80.11 N ATOM 323 NH2 ARG A1007 26.318 49.760 1.703 1.00 73.21 N ATOM 324 HE ARG A1007 28.779 49.875 -0.430 1.00 0.00 H ATOM 325 HH12 ARG A1007 26.921 52.193 1.462 1.00 0.00 H ATOM 326 HH11 ARG A1007 28.249 51.947 0.271 1.00 0.00 H ATOM 327 HH22 ARG A1007 25.746 50.411 2.279 1.00 0.00 H ATOM 328 HH21 ARG A1007 26.136 48.737 1.739 1.00 0.00 H ATOM 329 H ARG A1007 25.659 43.622 -0.284 1.00 0.00 H ATOM 330 N VAL A1008 25.295 45.256 -3.281 1.00 29.35 N ATOM 331 CA VAL A1008 25.153 45.522 -4.682 1.00 31.07 C ATOM 332 C VAL A1008 23.694 45.499 -5.148 1.00 29.80 C ATOM 333 O VAL A1008 23.366 46.136 -6.142 1.00 29.65 O ATOM 334 CB VAL A1008 26.003 44.522 -5.519 1.00 34.45 C ATOM 335 CG1 VAL A1008 25.486 43.111 -5.413 1.00 32.56 C ATOM 336 CG2 VAL A1008 26.088 44.968 -6.950 1.00 38.33 C ATOM 337 H VAL A1008 25.840 44.420 -2.989 1.00 0.00 H ATOM 338 N PHE A1009 22.835 44.811 -4.403 1.00 27.37 N ATOM 339 CA PHE A1009 21.391 44.779 -4.730 1.00 26.10 C ATOM 340 C PHE A1009 20.558 45.838 -4.013 1.00 25.80 C ATOM 341 O PHE A1009 19.342 45.821 -4.127 1.00 25.32 O ATOM 342 CB PHE A1009 20.836 43.380 -4.441 1.00 23.88 C ATOM 343 CG PHE A1009 21.665 42.271 -5.065 1.00 23.17 C ATOM 344 CD1 PHE A1009 21.856 42.228 -6.428 1.00 23.06 C ATOM 345 CD2 PHE A1009 22.275 41.313 -4.283 1.00 25.43 C ATOM 346 CE1 PHE A1009 22.646 41.259 -7.032 1.00 24.71 C ATOM 347 CE2 PHE A1009 23.076 40.322 -4.874 1.00 24.82 C ATOM 348 CZ PHE A1009 23.255 40.290 -6.251 1.00 23.52 C ATOM 349 H PHE A1009 23.183 44.286 -3.576 1.00 0.00 H ATOM 350 N THR A1010 21.192 46.734 -3.257 1.00 27.24 N ATOM 351 CA THR A1010 20.433 47.681 -2.441 1.00 27.91 C ATOM 352 C THR A1010 19.983 48.900 -3.186 1.00 31.35 C ATOM 353 O THR A1010 19.053 49.581 -2.743 1.00 31.75 O ATOM 354 CB THR A1010 21.178 48.135 -1.196 1.00 28.94 C ATOM 355 OG1 THR A1010 22.469 48.641 -1.547 1.00 28.73 O ATOM 356 CG2 THR A1010 21.317 46.969 -0.325 1.00 29.21 C ATOM 357 HG1 THR A1010 22.991 47.929 -1.995 1.00 0.00 H ATOM 358 H THR A1010 22.232 46.760 -3.247 1.00 0.00 H ATOM 359 N LYS A1011 20.607 49.146 -4.311 1.00 33.04 N ATOM 360 CA LYS A1011 20.362 50.363 -5.076 1.00 39.43 C ATOM 361 C LYS A1011 20.331 50.044 -6.537 1.00 37.92 C ATOM 362 O LYS A1011 20.937 49.065 -6.992 1.00 33.44 O ATOM 363 CB LYS A1011 21.504 51.398 -4.883 1.00 45.05 C ATOM 364 CG LYS A1011 21.654 51.937 -3.476 1.00 53.41 C ATOM 365 CD LYS A1011 20.588 52.968 -3.123 1.00 60.73 C ATOM 366 CE LYS A1011 20.472 53.175 -1.612 1.00 65.96 C ATOM 367 NZ LYS A1011 19.078 53.577 -1.242 1.00 69.64 N ATOM 368 HZ1 LYS A1011 18.835 54.466 -1.725 1.00 0.00 H ATOM 369 HZ2 LYS A1011 18.415 52.831 -1.533 1.00 0.00 H ATOM 370 HZ3 LYS A1011 19.019 53.713 -0.213 1.00 0.00 H ATOM 371 H LYS A1011 21.296 48.454 -4.669 1.00 0.00 H ATOM 372 N PRO A1012 19.668 50.915 -7.300 1.00 42.83 N ATOM 373 CA PRO A1012 19.685 50.747 -8.735 1.00 46.71 C ATOM 374 C PRO A1012 21.076 50.873 -9.270 1.00 49.52 C ATOM 375 O PRO A1012 21.919 51.479 -8.639 1.00 49.14 O ATOM 376 CB PRO A1012 18.792 51.887 -9.265 1.00 47.50 C ATOM 377 CG PRO A1012 18.147 52.518 -8.095 1.00 46.14 C ATOM 378 CD PRO A1012 18.825 52.040 -6.851 1.00 44.31 C ATOM 379 N VAL A1013 21.314 50.289 -10.433 1.00 57.18 N ATOM 380 CA VAL A1013 22.598 50.430 -11.120 1.00 61.27 C ATOM 381 C VAL A1013 22.753 51.851 -11.716 1.00 65.24 C ATOM 382 O VAL A1013 21.837 52.371 -12.376 1.00 66.06 O ATOM 383 CB VAL A1013 22.743 49.383 -12.243 1.00 62.50 C ATOM 384 CG1 VAL A1013 24.091 49.530 -12.940 1.00 65.00 C ATOM 385 CG2 VAL A1013 22.571 47.966 -11.696 1.00 60.61 C ATOM 386 H VAL A1013 20.567 49.713 -10.871 1.00 0.00 H ATOM 387 N ASP A1014 23.913 52.463 -11.481 1.00 70.41 N ATOM 388 CA ASP A1014 24.239 53.812 -12.007 1.00 79.60 C ATOM 389 C ASP A1014 24.539 53.784 -13.522 1.00 78.89 C ATOM 390 O ASP A1014 25.545 53.184 -13.946 1.00 76.71 O ATOM 391 CB ASP A1014 25.449 54.396 -11.250 1.00 85.45 C ATOM 392 CG ASP A1014 25.796 55.830 -11.678 1.00 92.46 C ATOM 393 OD1 ASP A1014 24.872 56.669 -11.797 1.00 92.96 O ATOM 394 OD2 ASP A1014 27.001 56.115 -11.881 1.00 96.89 O ATOM 395 H ASP A1014 24.624 51.972 -10.902 1.00 0.00 H ATOM 396 N PRO A1015 23.678 54.436 -14.335 1.00 80.73 N ATOM 397 CA PRO A1015 23.891 54.532 -15.789 1.00 87.03 C ATOM 398 C PRO A1015 25.347 54.814 -16.199 1.00 89.90 C ATOM 399 O PRO A1015 25.911 54.084 -17.017 1.00 85.19 O ATOM 400 CB PRO A1015 22.994 55.707 -16.195 1.00 86.60 C ATOM 401 CG PRO A1015 21.878 55.670 -15.205 1.00 85.03 C ATOM 402 CD PRO A1015 22.476 55.184 -13.913 1.00 82.54 C ATOM 403 N ASP A1016 25.939 55.852 -15.608 1.00 94.36 N ATOM 404 CA ASP A1016 27.273 56.328 -15.996 1.00101.58 C ATOM 405 C ASP A1016 28.258 55.193 -15.881 1.00100.84 C ATOM 406 O ASP A1016 29.059 54.949 -16.778 1.00102.80 O ATOM 407 CB ASP A1016 27.749 57.476 -15.095 1.00103.81 C ATOM 408 CG ASP A1016 26.657 58.481 -14.798 1.00103.44 C ATOM 409 OD1 ASP A1016 26.149 59.106 -15.753 1.00101.78 O ATOM 410 OD2 ASP A1016 26.301 58.629 -13.607 1.00100.65 O ATOM 411 H ASP A1016 25.436 56.344 -14.842 1.00 0.00 H ATOM 412 N GLU A1017 28.180 54.496 -14.759 1.00 98.98 N ATOM 413 CA GLU A1017 29.072 53.391 -14.506 1.00 99.56 C ATOM 414 C GLU A1017 28.747 52.202 -15.407 1.00 96.04 C ATOM 415 O GLU A1017 29.668 51.517 -15.863 1.00 96.91 O ATOM 416 CB GLU A1017 28.995 52.986 -13.042 1.00103.41 C ATOM 417 CG GLU A1017 29.358 54.108 -12.092 1.00107.01 C ATOM 418 CD GLU A1017 29.304 53.647 -10.664 1.00108.81 C ATOM 419 OE1 GLU A1017 30.260 52.961 -10.252 1.00113.07 O ATOM 420 OE2 GLU A1017 28.311 53.953 -9.971 1.00105.89 O ATOM 421 H GLU A1017 27.464 54.749 -14.048 1.00 0.00 H ATOM 422 N VAL A1018 27.452 51.958 -15.666 1.00 87.14 N ATOM 423 CA VAL A1018 27.025 50.790 -16.470 1.00 77.58 C ATOM 424 C VAL A1018 25.988 51.148 -17.556 1.00 72.45 C ATOM 425 O VAL A1018 24.790 50.889 -17.403 1.00 64.35 O ATOM 426 CB VAL A1018 26.484 49.663 -15.562 1.00 75.84 C ATOM 427 CG1 VAL A1018 26.629 48.312 -16.238 1.00 73.84 C ATOM 428 CG2 VAL A1018 27.220 49.645 -14.233 1.00 77.98 C ATOM 429 H VAL A1018 26.730 52.606 -15.292 1.00 0.00 H ATOM 430 N PRO A1019 26.454 51.717 -18.688 1.00 68.35 N ATOM 431 CA PRO A1019 25.492 52.276 -19.641 1.00 66.21 C ATOM 432 C PRO A1019 24.700 51.205 -20.399 1.00 62.13 C ATOM 433 O PRO A1019 23.585 51.472 -20.822 1.00 61.88 O ATOM 434 CB PRO A1019 26.372 53.115 -20.597 1.00 71.31 C ATOM 435 CG PRO A1019 27.777 52.620 -20.415 1.00 71.88 C ATOM 436 CD PRO A1019 27.829 51.692 -19.220 1.00 69.64 C ATOM 437 N ASP A1020 25.261 50.003 -20.539 1.00 60.86 N ATOM 438 CA ASP A1020 24.600 48.902 -21.259 1.00 61.04 C ATOM 439 C ASP A1020 23.615 48.091 -20.393 1.00 57.17 C ATOM 440 O ASP A1020 22.997 47.137 -20.892 1.00 56.31 O ATOM 441 CB ASP A1020 25.641 47.942 -21.860 1.00 65.50 C ATOM 442 CG ASP A1020 26.459 47.213 -20.795 1.00 68.04 C ATOM 443 OD1 ASP A1020 27.343 47.851 -20.169 1.00 77.03 O ATOM 444 OD2 ASP A1020 26.240 46.000 -20.608 1.00 67.36 O ATOM 445 H ASP A1020 26.200 49.837 -20.124 1.00 0.00 H ATOM 446 N TYR A1021 23.473 48.454 -19.118 1.00 53.21 N ATOM 447 CA TYR A1021 22.674 47.636 -18.201 1.00 50.10 C ATOM 448 C TYR A1021 21.213 47.756 -18.587 1.00 53.80 C ATOM 449 O TYR A1021 20.528 46.765 -18.791 1.00 51.61 O ATOM 450 CB TYR A1021 22.877 48.069 -16.745 1.00 48.01 C ATOM 451 CG TYR A1021 22.171 47.152 -15.777 1.00 41.96 C ATOM 452 CD1 TYR A1021 20.886 47.427 -15.333 1.00 39.76 C ATOM 453 CD2 TYR A1021 22.784 45.969 -15.344 1.00 40.50 C ATOM 454 CE1 TYR A1021 20.228 46.566 -14.445 1.00 38.10 C ATOM 455 CE2 TYR A1021 22.139 45.102 -14.462 1.00 38.07 C ATOM 456 CZ TYR A1021 20.864 45.408 -14.010 1.00 35.36 C ATOM 457 OH TYR A1021 20.218 44.546 -13.188 1.00 31.66 O ATOM 458 HH TYR A1021 19.327 44.913 -12.961 1.00 0.00 H ATOM 459 H TYR A1021 23.931 49.321 -18.773 1.00 0.00 H ATOM 460 N VAL A1022 20.779 49.010 -18.683 1.00 60.40 N ATOM 461 CA VAL A1022 19.453 49.409 -19.137 1.00 64.35 C ATOM 462 C VAL A1022 19.051 48.772 -20.499 1.00 66.74 C ATOM 463 O VAL A1022 17.864 48.553 -20.758 1.00 70.34 O ATOM 464 CB VAL A1022 19.417 50.954 -19.207 1.00 68.44 C ATOM 465 CG1 VAL A1022 19.995 51.466 -20.532 1.00 71.11 C ATOM 466 CG2 VAL A1022 18.022 51.481 -18.947 1.00 70.86 C ATOM 467 H VAL A1022 21.439 49.766 -18.412 1.00 0.00 H ATOM 468 N THR A1023 20.044 48.449 -21.330 1.00 68.03 N ATOM 469 CA THR A1023 19.839 47.805 -22.634 1.00 71.30 C ATOM 470 C THR A1023 19.565 46.330 -22.495 1.00 67.62 C ATOM 471 O THR A1023 18.690 45.778 -23.162 1.00 69.62 O ATOM 472 CB THR A1023 21.104 47.958 -23.510 1.00 78.12 C ATOM 473 OG1 THR A1023 21.265 49.340 -23.819 1.00 82.01 O ATOM 474 CG2 THR A1023 21.039 47.139 -24.814 1.00 80.26 C ATOM 475 HG1 THR A1023 22.071 49.460 -24.381 1.00 0.00 H ATOM 476 H THR A1023 21.018 48.666 -21.038 1.00 0.00 H ATOM 477 N VAL A1024 20.346 45.686 -21.636 1.00 61.73 N ATOM 478 CA VAL A1024 20.251 44.246 -21.447 1.00 54.75 C ATOM 479 C VAL A1024 19.118 43.926 -20.489 1.00 48.88 C ATOM 480 O VAL A1024 18.500 42.864 -20.590 1.00 48.97 O ATOM 481 CB VAL A1024 21.587 43.677 -20.914 1.00 55.22 C ATOM 482 CG1 VAL A1024 21.448 42.220 -20.487 1.00 54.26 C ATOM 483 CG2 VAL A1024 22.680 43.835 -21.974 1.00 58.81 C ATOM 484 H VAL A1024 21.044 46.224 -21.084 1.00 0.00 H ATOM 485 N ILE A1025 18.896 44.807 -19.513 1.00 44.43 N ATOM 486 CA ILE A1025 18.004 44.500 -18.388 1.00 39.27 C ATOM 487 C ILE A1025 16.808 45.438 -18.444 1.00 41.36 C ATOM 488 O ILE A1025 16.885 46.598 -18.039 1.00 42.01 O ATOM 489 CB ILE A1025 18.721 44.599 -17.008 1.00 37.34 C ATOM 490 CG1 ILE A1025 19.837 43.526 -16.890 1.00 36.30 C ATOM 491 CG2 ILE A1025 17.728 44.492 -15.849 1.00 35.31 C ATOM 492 CD1 ILE A1025 19.382 42.076 -16.982 1.00 34.96 C ATOM 493 H ILE A1025 19.366 45.734 -19.550 1.00 0.00 H ATOM 494 N LYS A1026 15.686 44.881 -18.882 1.00 43.34 N ATOM 495 CA LYS A1026 14.476 45.662 -19.167 1.00 44.69 C ATOM 496 C LYS A1026 13.625 45.967 -17.960 1.00 42.77 C ATOM 497 O LYS A1026 12.809 46.899 -18.006 1.00 40.37 O ATOM 498 CB LYS A1026 13.598 44.898 -20.147 1.00 47.11 C ATOM 499 CG LYS A1026 14.286 44.555 -21.442 1.00 49.70 C ATOM 500 CD LYS A1026 14.845 45.784 -22.122 1.00 51.94 C ATOM 501 CE LYS A1026 15.353 45.389 -23.464 1.00 53.61 C ATOM 502 NZ LYS A1026 16.221 46.475 -23.972 1.00 58.72 N ATOM 503 HZ1 LYS A1026 15.669 47.353 -24.044 1.00 0.00 H ATOM 504 HZ2 LYS A1026 17.016 46.617 -23.317 1.00 0.00 H ATOM 505 HZ3 LYS A1026 16.585 46.215 -24.911 1.00 0.00 H ATOM 506 H LYS A1026 15.663 43.852 -19.029 1.00 0.00 H ATOM 507 N GLN A1027 13.766 45.159 -16.908 1.00 40.26 N ATOM 508 CA GLN A1027 13.039 45.373 -15.681 1.00 39.91 C ATOM 509 C GLN A1027 13.985 45.333 -14.522 1.00 35.99 C ATOM 510 O GLN A1027 14.003 44.329 -13.829 1.00 30.09 O ATOM 511 CB GLN A1027 12.050 44.262 -15.430 1.00 43.00 C ATOM 512 CG GLN A1027 10.844 44.233 -16.271 1.00 48.62 C ATOM 513 CD GLN A1027 9.760 43.457 -15.589 1.00 46.34 C ATOM 514 OE1 GLN A1027 9.629 42.269 -15.811 1.00 48.47 O ATOM 515 NE2 GLN A1027 9.000 44.113 -14.749 1.00 49.00 N ATOM 516 HE22 GLN A1027 9.153 45.130 -14.594 1.00 0.00 H ATOM 517 HE21 GLN A1027 8.243 43.617 -14.236 1.00 0.00 H ATOM 518 H GLN A1027 14.419 44.352 -16.975 1.00 0.00 H ATOM 519 N PRO A1028 14.757 46.405 -14.317 1.00 36.49 N ATOM 520 CA PRO A1028 15.671 46.536 -13.185 1.00 34.52 C ATOM 521 C PRO A1028 14.941 46.436 -11.846 1.00 32.44 C ATOM 522 O PRO A1028 13.800 46.910 -11.724 1.00 29.21 O ATOM 523 CB PRO A1028 16.251 47.949 -13.343 1.00 37.26 C ATOM 524 CG PRO A1028 15.640 48.558 -14.554 1.00 40.00 C ATOM 525 CD PRO A1028 14.572 47.658 -15.060 1.00 38.82 C ATOM 526 N MET A1029 15.541 45.780 -10.852 1.00 27.22 N ATOM 527 CA MET A1029 14.911 45.697 -9.563 1.00 26.75 C ATOM 528 C MET A1029 16.027 45.664 -8.537 1.00 27.23 C ATOM 529 O MET A1029 17.109 45.128 -8.829 1.00 25.76 O ATOM 530 CB MET A1029 14.025 44.460 -9.453 1.00 26.48 C ATOM 531 CG MET A1029 13.133 44.429 -8.223 1.00 26.20 C ATOM 532 SD MET A1029 12.128 45.866 -7.832 1.00 28.32 S ATOM 533 CE MET A1029 11.222 46.101 -9.364 1.00 29.35 C ATOM 534 H MET A1029 16.465 45.329 -11.010 1.00 0.00 H ATOM 535 N ASP A1030 15.753 46.275 -7.393 1.00 25.51 N ATOM 536 CA ASP A1030 16.700 46.320 -6.270 1.00 26.31 C ATOM 537 C ASP A1030 15.909 46.518 -4.975 1.00 25.67 C ATOM 538 O ASP A1030 14.691 46.787 -5.014 1.00 26.03 O ATOM 539 CB ASP A1030 17.674 47.480 -6.503 1.00 29.97 C ATOM 540 CG ASP A1030 16.975 48.817 -6.389 1.00 31.97 C ATOM 541 OD1 ASP A1030 16.379 49.282 -7.366 1.00 37.14 O ATOM 542 OD2 ASP A1030 16.942 49.352 -5.290 1.00 34.24 O ATOM 543 H ASP A1030 14.830 46.742 -7.286 1.00 0.00 H ATOM 544 N LEU A1031 16.578 46.389 -3.835 1.00 23.12 N ATOM 545 CA LEU A1031 15.898 46.390 -2.563 1.00 23.30 C ATOM 546 C LEU A1031 15.347 47.749 -2.204 1.00 23.73 C ATOM 547 O LEU A1031 14.324 47.846 -1.517 1.00 24.23 O ATOM 548 CB LEU A1031 16.773 45.815 -1.446 1.00 22.73 C ATOM 549 CG LEU A1031 17.295 44.371 -1.649 1.00 23.09 C ATOM 550 CD1 LEU A1031 18.350 44.053 -0.617 1.00 23.48 C ATOM 551 CD2 LEU A1031 16.165 43.382 -1.609 1.00 22.42 C ATOM 552 H LEU A1031 17.613 46.285 -3.860 1.00 0.00 H ATOM 553 N SER A1032 15.951 48.823 -2.679 1.00 26.19 N ATOM 554 CA SER A1032 15.395 50.153 -2.437 1.00 26.71 C ATOM 555 C SER A1032 14.052 50.315 -3.165 1.00 25.97 C ATOM 556 O SER A1032 13.082 50.857 -2.603 1.00 25.07 O ATOM 557 CB SER A1032 16.363 51.277 -2.873 1.00 28.27 C ATOM 558 OG SER A1032 16.466 51.363 -4.283 1.00 29.31 O ATOM 559 HG SER A1032 16.804 50.504 -4.641 1.00 0.00 H ATOM 560 H SER A1032 16.828 48.722 -3.229 1.00 0.00 H ATOM 561 N SER A1033 14.012 49.831 -4.407 1.00 25.86 N ATOM 562 CA SER A1033 12.780 49.854 -5.187 1.00 27.08 C ATOM 563 C SER A1033 11.713 48.941 -4.569 1.00 24.38 C ATOM 564 O SER A1033 10.538 49.306 -4.561 1.00 24.30 O ATOM 565 CB SER A1033 13.008 49.483 -6.622 1.00 28.67 C ATOM 566 OG SER A1033 13.966 50.383 -7.139 1.00 34.80 O ATOM 567 HG SER A1033 14.806 50.303 -6.621 1.00 0.00 H ATOM 568 H SER A1033 14.875 49.430 -4.827 1.00 0.00 H ATOM 569 N VAL A1034 12.129 47.806 -4.035 1.00 22.91 N ATOM 570 CA VAL A1034 11.200 46.964 -3.269 1.00 21.74 C ATOM 571 C VAL A1034 10.558 47.719 -2.130 1.00 20.52 C ATOM 572 O VAL A1034 9.325 47.628 -1.943 1.00 19.75 O ATOM 573 CB VAL A1034 11.867 45.667 -2.803 1.00 20.25 C ATOM 574 CG1 VAL A1034 11.017 44.882 -1.826 1.00 20.03 C ATOM 575 CG2 VAL A1034 12.229 44.814 -4.017 1.00 20.81 C ATOM 576 H VAL A1034 13.118 47.508 -4.157 1.00 0.00 H ATOM 577 N ILE A1035 11.357 48.467 -1.355 1.00 20.31 N ATOM 578 CA ILE A1035 10.793 49.206 -0.214 1.00 21.91 C ATOM 579 C ILE A1035 9.778 50.228 -0.676 1.00 20.93 C ATOM 580 O ILE A1035 8.721 50.394 -0.057 1.00 20.46 O ATOM 581 CB ILE A1035 11.897 49.926 0.582 1.00 24.81 C ATOM 582 CG1 ILE A1035 12.749 48.897 1.331 1.00 28.59 C ATOM 583 CG2 ILE A1035 11.307 50.944 1.552 1.00 26.72 C ATOM 584 CD1 ILE A1035 11.959 48.255 2.435 1.00 32.39 C ATOM 585 H ILE A1035 12.375 48.525 -1.560 1.00 0.00 H ATOM 586 N SER A1036 10.121 50.957 -1.724 1.00 21.92 N ATOM 587 CA SER A1036 9.208 51.932 -2.293 1.00 22.47 C ATOM 588 C SER A1036 7.881 51.295 -2.708 1.00 22.76 C ATOM 589 O SER A1036 6.804 51.840 -2.413 1.00 22.93 O ATOM 590 CB SER A1036 9.859 52.643 -3.474 1.00 23.70 C ATOM 591 OG SER A1036 10.933 53.421 -3.011 1.00 24.63 O ATOM 592 HG SER A1036 11.358 53.884 -3.776 1.00 0.00 H ATOM 593 H SER A1036 11.062 50.830 -2.149 1.00 0.00 H ATOM 594 N LYS A1037 7.959 50.142 -3.378 1.00 21.99 N ATOM 595 CA LYS A1037 6.771 49.434 -3.770 1.00 22.63 C ATOM 596 C LYS A1037 5.929 48.948 -2.591 1.00 20.74 C ATOM 597 O LYS A1037 4.716 48.978 -2.668 1.00 20.42 O ATOM 598 CB LYS A1037 7.113 48.281 -4.687 1.00 22.70 C ATOM 599 CG LYS A1037 7.536 48.771 -6.040 1.00 25.05 C ATOM 600 CD LYS A1037 7.845 47.634 -6.992 1.00 24.64 C ATOM 601 CE LYS A1037 6.593 46.854 -7.383 1.00 24.09 C ATOM 602 NZ LYS A1037 6.910 45.946 -8.526 1.00 24.47 N ATOM 603 HZ1 LYS A1037 7.235 46.511 -9.336 1.00 0.00 H ATOM 604 HZ2 LYS A1037 7.659 45.282 -8.242 1.00 0.00 H ATOM 605 HZ3 LYS A1037 6.056 45.415 -8.792 1.00 0.00 H ATOM 606 H LYS A1037 8.892 49.751 -3.619 1.00 0.00 H ATOM 607 N ILE A1038 6.567 48.548 -1.503 1.00 20.00 N ATOM 608 CA ILE A1038 5.828 48.114 -0.364 1.00 19.74 C ATOM 609 C ILE A1038 5.023 49.315 0.126 1.00 20.26 C ATOM 610 O ILE A1038 3.840 49.188 0.412 1.00 21.54 O ATOM 611 CB ILE A1038 6.749 47.667 0.788 1.00 18.81 C ATOM 612 CG1 ILE A1038 7.443 46.378 0.453 1.00 17.97 C ATOM 613 CG2 ILE A1038 5.939 47.538 2.075 1.00 19.62 C ATOM 614 CD1 ILE A1038 8.616 46.076 1.417 1.00 18.15 C ATOM 615 H ILE A1038 7.607 48.550 -1.479 1.00 0.00 H ATOM 616 N ASP A1039 5.699 50.472 0.226 1.00 22.15 N ATOM 617 CA ASP A1039 5.075 51.673 0.778 1.00 23.23 C ATOM 618 C ASP A1039 3.983 52.257 -0.124 1.00 24.54 C ATOM 619 O ASP A1039 3.032 52.874 0.381 1.00 25.26 O ATOM 620 CB ASP A1039 6.113 52.740 1.110 1.00 23.85 C ATOM 621 CG ASP A1039 6.977 52.365 2.314 1.00 24.44 C ATOM 622 OD1 ASP A1039 6.616 51.478 3.106 1.00 23.28 O ATOM 623 OD2 ASP A1039 8.047 52.972 2.470 1.00 25.27 O ATOM 624 H ASP A1039 6.687 50.514 -0.096 1.00 0.00 H ATOM 625 N LEU A1040 4.122 52.050 -1.434 1.00 24.53 N ATOM 626 CA LEU A1040 3.077 52.394 -2.408 1.00 25.92 C ATOM 627 C LEU A1040 1.954 51.370 -2.483 1.00 24.99 C ATOM 628 O LEU A1040 1.051 51.451 -3.321 1.00 26.84 O ATOM 629 CB LEU A1040 3.729 52.544 -3.755 1.00 26.08 C ATOM 630 CG LEU A1040 4.548 53.841 -3.850 1.00 28.27 C ATOM 631 CD1 LEU A1040 5.399 53.763 -5.084 1.00 28.69 C ATOM 632 CD2 LEU A1040 3.657 55.066 -3.924 1.00 32.07 C ATOM 633 H LEU A1040 5.007 51.628 -1.781 1.00 0.00 H ATOM 634 N HIS A1041 1.990 50.377 -1.615 1.00 23.56 N ATOM 635 CA HIS A1041 0.943 49.382 -1.548 1.00 23.18 C ATOM 636 C HIS A1041 0.873 48.527 -2.818 1.00 24.52 C ATOM 637 O HIS A1041 -0.193 48.092 -3.239 1.00 24.97 O ATOM 638 CB HIS A1041 -0.443 50.018 -1.226 1.00 24.36 C ATOM 639 CG HIS A1041 -0.518 50.705 0.101 1.00 24.21 C ATOM 640 ND1 HIS A1041 -1.715 51.036 0.692 1.00 25.20 N ATOM 641 CD2 HIS A1041 0.441 51.124 0.957 1.00 24.45 C ATOM 642 CE1 HIS A1041 -1.494 51.671 1.832 1.00 25.15 C ATOM 643 NE2 HIS A1041 -0.188 51.697 2.038 1.00 25.72 N ATOM 644 H HIS A1041 2.795 50.308 -0.960 1.00 0.00 H ATOM 645 N LYS A1042 2.001 48.270 -3.442 1.00 23.51 N ATOM 646 CA LYS A1042 2.004 47.531 -4.669 1.00 24.92 C ATOM 647 C LYS A1042 1.967 46.013 -4.458 1.00 23.89 C ATOM 648 O LYS A1042 1.685 45.300 -5.393 1.00 24.50 O ATOM 649 CB LYS A1042 3.245 47.873 -5.475 1.00 26.59 C ATOM 650 CG LYS A1042 3.386 49.321 -5.944 1.00 30.06 C ATOM 651 CD LYS A1042 2.268 49.764 -6.844 1.00 33.78 C ATOM 652 CE LYS A1042 2.695 50.998 -7.650 1.00 38.39 C ATOM 653 NZ LYS A1042 1.459 51.630 -8.168 1.00 41.41 N ATOM 654 HZ1 LYS A1042 0.953 50.953 -8.774 1.00 0.00 H ATOM 655 HZ2 LYS A1042 0.851 51.905 -7.370 1.00 0.00 H ATOM 656 HZ3 LYS A1042 1.709 52.474 -8.722 1.00 0.00 H ATOM 657 H LYS A1042 2.900 48.606 -3.041 1.00 0.00 H ATOM 658 N TYR A1043 2.327 45.510 -3.276 1.00 22.14 N ATOM 659 CA TYR A1043 2.325 44.097 -3.037 1.00 21.28 C ATOM 660 C TYR A1043 1.098 43.780 -2.231 1.00 22.53 C ATOM 661 O TYR A1043 0.929 44.318 -1.132 1.00 23.87 O ATOM 662 CB TYR A1043 3.540 43.678 -2.226 1.00 19.70 C ATOM 663 CG TYR A1043 4.844 43.982 -2.928 1.00 19.65 C ATOM 664 CD1 TYR A1043 5.145 43.426 -4.179 1.00 21.91 C ATOM 665 CD2 TYR A1043 5.769 44.841 -2.359 1.00 19.70 C ATOM 666 CE1 TYR A1043 6.354 43.713 -4.813 1.00 22.19 C ATOM 667 CE2 TYR A1043 6.972 45.128 -2.968 1.00 20.29 C ATOM 668 CZ TYR A1043 7.287 44.555 -4.166 1.00 20.83 C ATOM 669 OH TYR A1043 8.487 44.864 -4.789 1.00 21.01 O ATOM 670 HH TYR A1043 8.553 44.364 -5.641 1.00 0.00 H ATOM 671 H TYR A1043 2.615 46.156 -2.513 1.00 0.00 H ATOM 672 N LEU A1044 0.239 42.928 -2.756 1.00 24.00 N ATOM 673 CA LEU A1044 -0.903 42.441 -1.958 1.00 26.48 C ATOM 674 C LEU A1044 -0.690 41.042 -1.441 1.00 23.80 C ATOM 675 O LEU A1044 -1.552 40.527 -0.705 1.00 22.53 O ATOM 676 CB LEU A1044 -2.198 42.350 -2.795 1.00 32.43 C ATOM 677 CG LEU A1044 -2.754 43.586 -3.500 1.00 36.59 C ATOM 678 CD1 LEU A1044 -4.270 43.455 -3.603 1.00 40.30 C ATOM 679 CD2 LEU A1044 -2.372 44.864 -2.798 1.00 36.82 C ATOM 680 H LEU A1044 0.367 42.599 -3.734 1.00 0.00 H ATOM 681 N THR A1045 0.361 40.382 -1.910 1.00 21.86 N ATOM 682 CA THR A1045 0.675 39.047 -1.443 1.00 21.25 C ATOM 683 C THR A1045 2.177 38.896 -1.296 1.00 20.67 C ATOM 684 O THR A1045 2.977 39.649 -1.892 1.00 20.19 O ATOM 685 CB THR A1045 0.213 37.939 -2.379 1.00 22.11 C ATOM 686 OG1 THR A1045 0.989 37.940 -3.602 1.00 22.50 O ATOM 687 CG2 THR A1045 -1.271 38.048 -2.670 1.00 23.96 C ATOM 688 HG1 THR A1045 0.671 37.213 -4.194 1.00 0.00 H ATOM 689 H THR A1045 0.969 40.830 -2.625 1.00 0.00 H ATOM 690 N VAL A1046 2.574 37.887 -0.527 1.00 20.74 N ATOM 691 CA VAL A1046 3.999 37.549 -0.459 1.00 20.15 C ATOM 692 C VAL A1046 4.482 36.988 -1.779 1.00 21.36 C ATOM 693 O VAL A1046 5.649 37.201 -2.131 1.00 19.98 O ATOM 694 CB VAL A1046 4.346 36.643 0.733 1.00 19.56 C ATOM 695 CG1 VAL A1046 5.853 36.417 0.839 1.00 19.37 C ATOM 696 CG2 VAL A1046 3.906 37.349 2.012 1.00 20.80 C ATOM 697 H VAL A1046 1.879 37.342 0.022 1.00 0.00 H ATOM 698 N LYS A1047 3.627 36.262 -2.511 1.00 23.05 N ATOM 699 CA LYS A1047 4.004 35.797 -3.828 1.00 25.05 C ATOM 700 C LYS A1047 4.429 36.928 -4.747 1.00 24.53 C ATOM 701 O LYS A1047 5.439 36.824 -5.462 1.00 25.23 O ATOM 702 CB LYS A1047 2.895 34.992 -4.516 1.00 31.16 C ATOM 703 CG LYS A1047 2.898 33.557 -4.089 1.00 37.20 C ATOM 704 CD LYS A1047 1.851 32.685 -4.801 1.00 42.19 C ATOM 705 CE LYS A1047 1.912 31.264 -4.220 1.00 45.48 C ATOM 706 NZ LYS A1047 1.719 31.179 -2.709 1.00 44.15 N ATOM 707 HZ1 LYS A1047 2.463 31.729 -2.234 1.00 0.00 H ATOM 708 HZ2 LYS A1047 0.787 31.566 -2.458 1.00 0.00 H ATOM 709 HZ3 LYS A1047 1.776 30.185 -2.409 1.00 0.00 H ATOM 710 H LYS A1047 2.687 36.031 -2.131 1.00 0.00 H ATOM 711 N ASP A1048 3.711 38.020 -4.699 1.00 23.87 N ATOM 712 CA ASP A1048 4.030 39.163 -5.542 1.00 26.09 C ATOM 713 C ASP A1048 5.379 39.790 -5.165 1.00 24.91 C ATOM 714 O ASP A1048 6.197 40.116 -6.066 1.00 22.88 O ATOM 715 CB ASP A1048 2.941 40.210 -5.515 1.00 28.39 C ATOM 716 CG ASP A1048 1.681 39.786 -6.313 1.00 31.84 C ATOM 717 OD1 ASP A1048 1.715 38.841 -7.117 1.00 36.13 O ATOM 718 OD2 ASP A1048 0.689 40.436 -6.104 1.00 37.27 O ATOM 719 H ASP A1048 2.901 38.073 -4.049 1.00 0.00 H ATOM 720 N TYR A1049 5.623 39.888 -3.857 1.00 22.30 N ATOM 721 CA TYR A1049 6.921 40.347 -3.347 1.00 20.75 C ATOM 722 C TYR A1049 8.046 39.440 -3.854 1.00 20.64 C ATOM 723 O TYR A1049 9.105 39.928 -4.346 1.00 20.38 O ATOM 724 CB TYR A1049 6.888 40.345 -1.835 1.00 19.39 C ATOM 725 CG TYR A1049 8.179 40.599 -1.128 1.00 18.96 C ATOM 726 CD1 TYR A1049 8.614 41.911 -0.856 1.00 18.79 C ATOM 727 CD2 TYR A1049 8.946 39.524 -0.648 1.00 18.66 C ATOM 728 CE1 TYR A1049 9.793 42.129 -0.174 1.00 18.73 C ATOM 729 CE2 TYR A1049 10.133 39.757 0.027 1.00 18.19 C ATOM 730 CZ TYR A1049 10.549 41.040 0.261 1.00 18.97 C ATOM 731 OH TYR A1049 11.737 41.249 0.964 1.00 17.95 O ATOM 732 HH TYR A1049 11.901 42.221 1.051 1.00 0.00 H ATOM 733 H TYR A1049 4.875 39.633 -3.181 1.00 0.00 H ATOM 734 N LEU A1050 7.845 38.135 -3.695 1.00 20.78 N ATOM 735 CA LEU A1050 8.871 37.147 -4.092 1.00 21.99 C ATOM 736 C LEU A1050 9.182 37.161 -5.583 1.00 23.78 C ATOM 737 O LEU A1050 10.322 36.797 -5.978 1.00 22.53 O ATOM 738 CB LEU A1050 8.518 35.767 -3.643 1.00 24.12 C ATOM 739 CG LEU A1050 8.719 35.557 -2.156 1.00 24.74 C ATOM 740 CD1 LEU A1050 8.131 34.209 -1.734 1.00 26.20 C ATOM 741 CD2 LEU A1050 10.195 35.653 -1.776 1.00 26.44 C ATOM 742 H LEU A1050 6.949 37.803 -3.284 1.00 0.00 H ATOM 743 N ARG A1051 8.245 37.614 -6.422 1.00 23.73 N ATOM 744 CA ARG A1051 8.532 37.740 -7.846 1.00 26.79 C ATOM 745 C ARG A1051 9.541 38.841 -8.083 1.00 23.74 C ATOM 746 O ARG A1051 10.342 38.718 -8.989 1.00 22.78 O ATOM 747 CB ARG A1051 7.292 38.024 -8.701 1.00 32.11 C ATOM 748 CG ARG A1051 6.426 36.814 -8.979 1.00 43.92 C ATOM 749 CD ARG A1051 5.544 36.975 -10.237 1.00 56.60 C ATOM 750 NE ARG A1051 4.879 38.273 -10.241 1.00 61.14 N ATOM 751 CZ ARG A1051 3.755 38.544 -9.588 1.00 67.25 C ATOM 752 NH1 ARG A1051 3.251 39.782 -9.635 1.00 65.78 N ATOM 753 NH2 ARG A1051 3.136 37.581 -8.889 1.00 67.73 N ATOM 754 HE ARG A1051 5.315 39.039 -10.793 1.00 0.00 H ATOM 755 HH12 ARG A1051 2.371 40.005 -9.127 1.00 0.00 H ATOM 756 HH11 ARG A1051 3.739 40.522 -10.179 1.00 0.00 H ATOM 757 HH22 ARG A1051 2.256 37.794 -8.378 1.00 0.00 H ATOM 758 HH21 ARG A1051 3.536 36.622 -8.858 1.00 0.00 H ATOM 759 H ARG A1051 7.307 37.878 -6.057 1.00 0.00 H ATOM 760 N ASP A1052 9.482 39.915 -7.294 1.00 22.13 N ATOM 761 CA ASP A1052 10.507 40.971 -7.374 1.00 21.17 C ATOM 762 C ASP A1052 11.890 40.515 -6.808 1.00 20.91 C ATOM 763 O ASP A1052 12.928 40.821 -7.414 1.00 22.38 O ATOM 764 CB ASP A1052 10.038 42.288 -6.754 1.00 22.17 C ATOM 765 CG ASP A1052 9.190 43.100 -7.700 1.00 23.90 C ATOM 766 OD1 ASP A1052 9.176 42.747 -8.923 1.00 25.59 O ATOM 767 OD2 ASP A1052 8.566 44.091 -7.255 1.00 22.58 O ATOM 768 H ASP A1052 8.702 40.008 -6.613 1.00 0.00 H ATOM 769 N ILE A1053 11.912 39.714 -5.758 1.00 19.92 N ATOM 770 CA ILE A1053 13.149 39.140 -5.265 1.00 20.75 C ATOM 771 C ILE A1053 13.759 38.240 -6.379 1.00 21.82 C ATOM 772 O ILE A1053 14.971 38.279 -6.643 1.00 22.17 O ATOM 773 CB ILE A1053 12.938 38.352 -3.953 1.00 20.51 C ATOM 774 CG1 ILE A1053 12.485 39.287 -2.783 1.00 21.85 C ATOM 775 CG2 ILE A1053 14.186 37.579 -3.582 1.00 22.01 C ATOM 776 CD1 ILE A1053 13.412 40.449 -2.449 1.00 22.33 C ATOM 777 H ILE A1053 11.020 39.489 -5.273 1.00 0.00 H ATOM 778 N ASP A1054 12.924 37.410 -7.010 1.00 22.26 N ATOM 779 CA ASP A1054 13.338 36.540 -8.087 1.00 23.72 C ATOM 780 C ASP A1054 13.926 37.324 -9.252 1.00 23.52 C ATOM 781 O ASP A1054 14.885 36.870 -9.893 1.00 22.82 O ATOM 782 CB ASP A1054 12.151 35.731 -8.574 1.00 26.14 C ATOM 783 CG ASP A1054 11.754 34.592 -7.617 1.00 28.61 C ATOM 784 OD1 ASP A1054 12.575 34.041 -6.912 1.00 32.45 O ATOM 785 OD2 ASP A1054 10.627 34.145 -7.769 1.00 36.89 O ATOM 786 H ASP A1054 11.928 37.389 -6.712 1.00 0.00 H ATOM 787 N LEU A1055 13.325 38.484 -9.513 1.00 22.32 N ATOM 788 CA LEU A1055 13.732 39.384 -10.545 1.00 25.29 C ATOM 789 C LEU A1055 15.155 39.953 -10.252 1.00 26.33 C ATOM 790 O LEU A1055 16.031 40.009 -11.143 1.00 25.74 O ATOM 791 CB LEU A1055 12.757 40.521 -10.631 1.00 26.24 C ATOM 792 CG LEU A1055 12.886 41.432 -11.827 1.00 30.65 C ATOM 793 CD1 LEU A1055 13.042 40.729 -13.201 1.00 31.42 C ATOM 794 CD2 LEU A1055 11.705 42.371 -11.843 1.00 31.16 C ATOM 795 H LEU A1055 12.508 38.751 -8.928 1.00 0.00 H ATOM 796 N ILE A1056 15.380 40.355 -9.006 1.00 23.57 N ATOM 797 CA ILE A1056 16.721 40.814 -8.603 1.00 22.64 C ATOM 798 C ILE A1056 17.749 39.759 -8.954 1.00 21.83 C ATOM 799 O ILE A1056 18.824 40.051 -9.527 1.00 24.22 O ATOM 800 CB ILE A1056 16.752 41.155 -7.088 1.00 22.99 C ATOM 801 CG1 ILE A1056 15.823 42.352 -6.812 1.00 21.64 C ATOM 802 CG2 ILE A1056 18.198 41.446 -6.655 1.00 24.38 C ATOM 803 CD1 ILE A1056 15.771 42.793 -5.360 1.00 21.90 C ATOM 804 H ILE A1056 14.606 40.346 -8.312 1.00 0.00 H ATOM 805 N CYS A1057 17.445 38.525 -8.591 1.00 21.14 N ATOM 806 CA CYS A1057 18.336 37.427 -8.824 1.00 22.75 C ATOM 807 C CYS A1057 18.503 37.074 -10.306 1.00 24.31 C ATOM 808 O CYS A1057 19.646 36.958 -10.787 1.00 24.31 O ATOM 809 CB CYS A1057 17.976 36.235 -7.969 1.00 22.94 C ATOM 810 SG CYS A1057 19.060 34.801 -8.182 1.00 30.20 S ATOM 811 H CYS A1057 16.534 38.346 -8.123 1.00 0.00 H ATOM 812 N SER A1058 17.398 36.916 -11.050 1.00 23.89 N ATOM 813 CA SER A1058 17.500 36.561 -12.451 1.00 26.24 C ATOM 814 C SER A1058 18.206 37.651 -13.243 1.00 26.36 C ATOM 815 O SER A1058 19.005 37.358 -14.153 1.00 26.76 O ATOM 816 CB SER A1058 16.140 36.222 -13.031 1.00 29.65 C ATOM 817 OG SER A1058 15.242 37.305 -12.944 1.00 32.39 O ATOM 818 HG SER A1058 15.608 38.077 -13.445 1.00 0.00 H ATOM 819 H SER A1058 16.461 37.049 -10.618 1.00 0.00 H ATOM 820 N ASN A1059 17.949 38.918 -12.899 1.00 24.70 N ATOM 821 CA ASN A1059 18.637 39.979 -13.583 1.00 25.84 C ATOM 822 C ASN A1059 20.154 39.770 -13.440 1.00 26.84 C ATOM 823 O ASN A1059 20.927 39.957 -14.403 1.00 27.96 O ATOM 824 CB ASN A1059 18.195 41.377 -13.105 1.00 26.18 C ATOM 825 CG ASN A1059 16.820 41.786 -13.635 1.00 27.66 C ATOM 826 OD1 ASN A1059 16.273 41.148 -14.525 1.00 28.94 O ATOM 827 ND2 ASN A1059 16.253 42.822 -13.057 1.00 27.10 N ATOM 828 HD22 ASN A1059 16.754 43.336 -12.304 1.00 0.00 H ATOM 829 HD21 ASN A1059 15.304 43.127 -13.353 1.00 0.00 H ATOM 830 H ASN A1059 17.262 39.132 -12.148 1.00 0.00 H ATOM 831 N ALA A1060 20.585 39.475 -12.215 1.00 25.95 N ATOM 832 CA ALA A1060 22.010 39.375 -11.935 1.00 27.02 C ATOM 833 C ALA A1060 22.614 38.194 -12.694 1.00 26.93 C ATOM 834 O ALA A1060 23.724 38.292 -13.188 1.00 29.02 O ATOM 835 CB ALA A1060 22.282 39.278 -10.439 1.00 26.65 C ATOM 836 H ALA A1060 19.897 39.315 -11.451 1.00 0.00 H ATOM 837 N LEU A1061 21.899 37.084 -12.777 1.00 28.58 N ATOM 838 CA LEU A1061 22.422 35.934 -13.517 1.00 30.86 C ATOM 839 C LEU A1061 22.512 36.225 -15.017 1.00 32.35 C ATOM 840 O LEU A1061 23.492 35.846 -15.670 1.00 34.85 O ATOM 841 CB LEU A1061 21.594 34.701 -13.243 1.00 31.47 C ATOM 842 CG LEU A1061 21.333 34.259 -11.807 1.00 33.48 C ATOM 843 CD1 LEU A1061 20.696 32.864 -11.790 1.00 34.84 C ATOM 844 CD2 LEU A1061 22.552 34.267 -10.913 1.00 34.11 C ATOM 845 H LEU A1061 20.968 37.028 -12.318 1.00 0.00 H ATOM 846 N GLU A1062 21.555 36.978 -15.534 1.00 31.96 N ATOM 847 CA GLU A1062 21.517 37.327 -16.957 1.00 34.30 C ATOM 848 C GLU A1062 22.611 38.318 -17.324 1.00 34.52 C ATOM 849 O GLU A1062 23.295 38.147 -18.316 1.00 35.29 O ATOM 850 CB GLU A1062 20.140 37.893 -17.352 1.00 35.17 C ATOM 851 CG GLU A1062 19.041 36.845 -17.373 1.00 35.66 C ATOM 852 CD GLU A1062 17.639 37.432 -17.360 1.00 35.85 C ATOM 853 OE1 GLU A1062 17.471 38.618 -17.712 1.00 39.13 O ATOM 854 OE2 GLU A1062 16.711 36.698 -17.007 1.00 34.46 O ATOM 855 H GLU A1062 20.804 37.335 -14.909 1.00 0.00 H ATOM 856 N TYR A1063 22.763 39.358 -16.519 1.00 32.95 N ATOM 857 CA TYR A1063 23.706 40.407 -16.844 1.00 33.69 C ATOM 858 C TYR A1063 25.204 40.058 -16.560 1.00 33.82 C ATOM 859 O TYR A1063 26.116 40.653 -17.166 1.00 35.34 O ATOM 860 CB TYR A1063 23.324 41.681 -16.085 1.00 34.08 C ATOM 861 CG TYR A1063 24.196 42.839 -16.518 1.00 37.32 C ATOM 862 CD1 TYR A1063 23.994 43.444 -17.743 1.00 40.81 C ATOM 863 CD2 TYR A1063 25.253 43.282 -15.723 1.00 39.48 C ATOM 864 CE1 TYR A1063 24.812 44.474 -18.171 1.00 44.85 C ATOM 865 CE2 TYR A1063 26.080 44.305 -16.129 1.00 45.01 C ATOM 866 CZ TYR A1063 25.854 44.903 -17.360 1.00 48.00 C ATOM 867 OH TYR A1063 26.664 45.936 -17.808 1.00 55.47 O ATOM 868 HH TYR A1063 26.353 46.235 -18.699 1.00 0.00 H ATOM 869 H TYR A1063 22.201 39.422 -15.647 1.00 0.00 H ATOM 870 N ASN A1064 25.442 39.119 -15.643 1.00 32.47 N ATOM 871 CA ASN A1064 26.792 38.693 -15.264 1.00 34.55 C ATOM 872 C ASN A1064 26.967 37.193 -15.486 1.00 35.64 C ATOM 873 O ASN A1064 27.037 36.424 -14.526 1.00 34.33 O ATOM 874 CB ASN A1064 27.050 39.022 -13.789 1.00 34.33 C ATOM 875 CG ASN A1064 26.683 40.453 -13.435 1.00 34.44 C ATOM 876 OD1 ASN A1064 27.468 41.381 -13.608 1.00 35.63 O ATOM 877 ND2 ASN A1064 25.515 40.618 -12.885 1.00 33.96 N ATOM 878 HD22 ASN A1064 24.881 39.804 -12.757 1.00 0.00 H ATOM 879 HD21 ASN A1064 25.216 41.564 -12.573 1.00 0.00 H ATOM 880 H ASN A1064 24.631 38.668 -15.175 1.00 0.00 H ATOM 881 N PRO A1065 27.048 36.755 -16.748 1.00 38.33 N ATOM 882 CA PRO A1065 26.912 35.317 -16.931 1.00 39.60 C ATOM 883 C PRO A1065 28.254 34.596 -17.061 1.00 39.34 C ATOM 884 O PRO A1065 28.263 33.392 -17.273 1.00 44.00 O ATOM 885 CB PRO A1065 26.152 35.232 -18.276 1.00 41.83 C ATOM 886 CG PRO A1065 26.627 36.452 -19.040 1.00 43.21 C ATOM 887 CD PRO A1065 27.212 37.447 -18.048 1.00 43.70 C ATOM 888 N ASP A1066 29.361 35.301 -16.945 1.00 38.95 N ATOM 889 CA ASP A1066 30.657 34.750 -17.434 1.00 41.84 C ATOM 890 C ASP A1066 31.344 33.866 -16.391 1.00 39.86 C ATOM 891 O ASP A1066 30.916 33.806 -15.232 1.00 37.51 O ATOM 892 CB ASP A1066 31.630 35.876 -17.823 1.00 46.93 C ATOM 893 CG ASP A1066 31.318 36.532 -19.195 1.00 55.00 C ATOM 894 OD1 ASP A1066 30.357 36.157 -19.937 1.00 50.87 O ATOM 895 OD2 ASP A1066 32.109 37.448 -19.523 1.00 63.02 O ATOM 896 H ASP A1066 29.331 36.245 -16.511 1.00 0.00 H ATOM 897 N ARG A1067 32.440 33.220 -16.789 1.00 41.05 N ATOM 898 CA ARG A1067 33.219 32.395 -15.827 1.00 41.80 C ATOM 899 C ARG A1067 34.132 33.259 -14.969 1.00 39.63 C ATOM 900 O ARG A1067 34.773 32.743 -14.051 1.00 40.21 O ATOM 901 CB ARG A1067 34.054 31.291 -16.549 1.00 44.12 C ATOM 902 CG ARG A1067 35.183 31.743 -17.485 1.00 45.44 C ATOM 903 CD ARG A1067 36.601 31.492 -16.979 1.00 46.48 C ATOM 904 NE ARG A1067 36.722 30.499 -15.895 1.00 45.91 N ATOM 905 CZ ARG A1067 37.536 30.612 -14.835 1.00 50.59 C ATOM 906 NH1 ARG A1067 38.336 31.680 -14.719 1.00 49.50 N ATOM 907 NH2 ARG A1067 37.576 29.645 -13.868 1.00 47.68 N ATOM 908 HE ARG A1067 36.131 29.646 -15.957 1.00 0.00 H ATOM 909 HH12 ARG A1067 38.968 31.770 -13.898 1.00 0.00 H ATOM 910 HH11 ARG A1067 38.325 32.420 -15.450 1.00 0.00 H ATOM 911 HH22 ARG A1067 38.214 29.750 -13.053 1.00 0.00 H ATOM 912 HH21 ARG A1067 36.969 28.805 -13.948 1.00 0.00 H ATOM 913 H ARG A1067 32.752 33.293 -17.778 1.00 0.00 H ATOM 914 N ASP A1068 34.222 34.553 -15.296 1.00 36.73 N ATOM 915 CA ASP A1068 35.127 35.470 -14.621 1.00 35.95 C ATOM 916 C ASP A1068 34.767 35.541 -13.111 1.00 32.80 C ATOM 917 O ASP A1068 33.600 35.361 -12.746 1.00 30.05 O ATOM 918 CB ASP A1068 35.048 36.835 -15.332 1.00 38.23 C ATOM 919 CG ASP A1068 35.630 36.787 -16.761 1.00 41.73 C ATOM 920 OD1 ASP A1068 36.875 36.797 -16.912 1.00 43.27 O ATOM 921 OD2 ASP A1068 34.850 36.709 -17.728 1.00 45.15 O ATOM 922 H ASP A1068 33.621 34.918 -16.063 1.00 0.00 H ATOM 923 N PRO A1069 35.750 35.770 -12.241 1.00 30.04 N ATOM 924 CA PRO A1069 35.451 35.748 -10.849 1.00 27.92 C ATOM 925 C PRO A1069 34.530 36.858 -10.363 1.00 26.19 C ATOM 926 O PRO A1069 33.786 36.658 -9.404 1.00 24.53 O ATOM 927 CB PRO A1069 36.833 35.809 -10.157 1.00 29.29 C ATOM 928 CG PRO A1069 37.815 35.473 -11.205 1.00 30.14 C ATOM 929 CD PRO A1069 37.220 35.779 -12.505 1.00 31.47 C ATOM 930 N GLY A1070 34.589 38.027 -10.969 1.00 26.37 N ATOM 931 CA GLY A1070 33.653 39.073 -10.575 1.00 27.60 C ATOM 932 C GLY A1070 32.198 38.682 -10.868 1.00 28.58 C ATOM 933 O GLY A1070 31.330 38.900 -10.018 1.00 26.92 O ATOM 934 H GLY A1070 35.292 38.200 -11.716 1.00 0.00 H ATOM 935 N ASP A1071 31.968 38.065 -12.040 1.00 29.07 N ATOM 936 CA ASP A1071 30.651 37.510 -12.391 1.00 30.92 C ATOM 937 C ASP A1071 30.293 36.382 -11.456 1.00 29.30 C ATOM 938 O ASP A1071 29.176 36.366 -10.945 1.00 28.38 O ATOM 939 CB ASP A1071 30.555 37.013 -13.838 1.00 32.53 C ATOM 940 CG ASP A1071 30.414 38.156 -14.842 1.00 36.52 C ATOM 941 OD1 ASP A1071 30.824 39.286 -14.526 1.00 37.38 O ATOM 942 OD2 ASP A1071 29.859 37.923 -15.947 1.00 39.06 O ATOM 943 H ASP A1071 32.748 37.977 -12.722 1.00 0.00 H ATOM 944 N ARG A1072 31.198 35.447 -11.202 1.00 28.30 N ATOM 945 CA ARG A1072 30.831 34.345 -10.337 1.00 29.59 C ATOM 946 C ARG A1072 30.428 34.797 -8.923 1.00 27.97 C ATOM 947 O ARG A1072 29.539 34.209 -8.319 1.00 27.28 O ATOM 948 CB ARG A1072 31.919 33.283 -10.279 1.00 32.32 C ATOM 949 CG ARG A1072 31.847 32.373 -11.482 1.00 35.94 C ATOM 950 CD ARG A1072 32.960 31.351 -11.585 1.00 42.40 C ATOM 951 NE ARG A1072 32.799 30.521 -12.790 1.00 49.59 N ATOM 952 CZ ARG A1072 33.687 29.617 -13.234 1.00 57.74 C ATOM 953 NH1 ARG A1072 34.820 29.386 -12.568 1.00 59.07 N ATOM 954 NH2 ARG A1072 33.431 28.920 -14.352 1.00 58.10 N ATOM 955 HE ARG A1072 31.927 30.645 -13.342 1.00 0.00 H ATOM 956 HH12 ARG A1072 35.498 28.683 -12.924 1.00 0.00 H ATOM 957 HH11 ARG A1072 35.025 29.909 -11.693 1.00 0.00 H ATOM 958 HH22 ARG A1072 34.118 28.220 -14.697 1.00 0.00 H ATOM 959 HH21 ARG A1072 32.546 29.080 -14.873 1.00 0.00 H ATOM 960 H ARG A1072 32.151 35.504 -11.615 1.00 0.00 H ATOM 961 N LEU A1073 31.120 35.815 -8.406 1.00 26.32 N ATOM 962 CA LEU A1073 30.846 36.341 -7.088 1.00 24.54 C ATOM 963 C LEU A1073 29.443 36.959 -7.032 1.00 24.99 C ATOM 964 O LEU A1073 28.687 36.684 -6.107 1.00 23.96 O ATOM 965 CB LEU A1073 31.895 37.372 -6.682 1.00 24.35 C ATOM 966 CG LEU A1073 31.731 38.051 -5.327 1.00 24.29 C ATOM 967 CD1 LEU A1073 31.705 37.096 -4.145 1.00 24.20 C ATOM 968 CD2 LEU A1073 32.841 39.063 -5.107 1.00 26.61 C ATOM 969 H LEU A1073 31.881 36.244 -8.970 1.00 0.00 H ATOM 970 N ILE A1074 29.142 37.851 -7.955 1.00 24.75 N ATOM 971 CA ILE A1074 27.834 38.443 -7.968 1.00 25.82 C ATOM 972 C ILE A1074 26.731 37.389 -8.155 1.00 24.57 C ATOM 973 O ILE A1074 25.686 37.515 -7.506 1.00 23.42 O ATOM 974 CB ILE A1074 27.661 39.585 -8.975 1.00 28.04 C ATOM 975 CG1 ILE A1074 26.331 40.277 -8.722 1.00 29.61 C ATOM 976 CG2 ILE A1074 27.557 39.057 -10.367 1.00 31.89 C ATOM 977 CD1 ILE A1074 26.244 41.672 -9.262 1.00 32.73 C ATOM 978 H ILE A1074 29.847 38.124 -8.669 1.00 0.00 H ATOM 979 N ARG A1075 26.943 36.360 -8.983 1.00 24.19 N ATOM 980 CA ARG A1075 25.919 35.320 -9.140 1.00 25.14 C ATOM 981 C ARG A1075 25.726 34.550 -7.850 1.00 25.19 C ATOM 982 O ARG A1075 24.603 34.219 -7.474 1.00 22.20 O ATOM 983 CB ARG A1075 26.231 34.344 -10.280 1.00 27.86 C ATOM 984 CG ARG A1075 26.207 34.978 -11.656 1.00 30.34 C ATOM 985 CD ARG A1075 25.912 33.962 -12.750 1.00 34.50 C ATOM 986 NE ARG A1075 26.869 32.892 -12.789 1.00 35.44 N ATOM 987 CZ ARG A1075 28.065 32.976 -13.346 1.00 40.39 C ATOM 988 NH1 ARG A1075 28.463 34.104 -13.940 1.00 42.09 N ATOM 989 NH2 ARG A1075 28.885 31.920 -13.323 1.00 44.58 N ATOM 990 HE ARG A1075 26.603 31.988 -12.348 1.00 0.00 H ATOM 991 HH12 ARG A1075 29.406 34.158 -14.375 1.00 0.00 H ATOM 992 HH11 ARG A1075 27.830 34.928 -13.968 1.00 0.00 H ATOM 993 HH22 ARG A1075 29.826 31.983 -13.760 1.00 0.00 H ATOM 994 HH21 ARG A1075 28.581 31.036 -12.868 1.00 0.00 H ATOM 995 H ARG A1075 27.834 36.297 -9.516 1.00 0.00 H ATOM 996 N HIS A1076 26.837 34.221 -7.169 1.00 22.92 N ATOM 997 CA HIS A1076 26.744 33.587 -5.894 1.00 23.19 C ATOM 998 C HIS A1076 25.933 34.416 -4.873 1.00 22.31 C ATOM 999 O HIS A1076 25.097 33.883 -4.103 1.00 22.56 O ATOM 1000 CB HIS A1076 28.138 33.279 -5.348 1.00 23.90 C ATOM 1001 CG HIS A1076 28.139 32.336 -4.208 1.00 24.50 C ATOM 1002 ND1 HIS A1076 28.120 32.757 -2.890 1.00 25.74 N ATOM 1003 CD2 HIS A1076 28.128 30.984 -4.181 1.00 24.77 C ATOM 1004 CE1 HIS A1076 28.118 31.694 -2.104 1.00 25.04 C ATOM 1005 NE2 HIS A1076 28.107 30.616 -2.863 1.00 25.98 N ATOM 1006 H HIS A1076 27.772 34.430 -7.574 1.00 0.00 H ATOM 1007 N ARG A1077 26.199 35.694 -4.839 1.00 21.48 N ATOM 1008 CA ARG A1077 25.517 36.577 -3.953 1.00 21.52 C ATOM 1009 C ARG A1077 24.025 36.707 -4.321 1.00 22.37 C ATOM 1010 O ARG A1077 23.168 36.742 -3.419 1.00 20.67 O ATOM 1011 CB ARG A1077 26.166 37.952 -3.949 1.00 22.49 C ATOM 1012 CG ARG A1077 27.543 37.974 -3.251 1.00 22.53 C ATOM 1013 CD ARG A1077 28.236 39.267 -3.559 1.00 24.27 C ATOM 1014 NE ARG A1077 29.374 39.436 -2.681 1.00 25.47 N ATOM 1015 CZ ARG A1077 30.296 40.377 -2.826 1.00 27.39 C ATOM 1016 NH1 ARG A1077 30.224 41.264 -3.802 1.00 26.83 N ATOM 1017 NH2 ARG A1077 31.326 40.405 -1.975 1.00 28.17 N ATOM 1018 HE ARG A1077 29.475 38.776 -1.884 1.00 0.00 H ATOM 1019 HH12 ARG A1077 30.959 41.994 -3.897 1.00 0.00 H ATOM 1020 HH11 ARG A1077 29.432 41.233 -4.476 1.00 0.00 H ATOM 1021 HH22 ARG A1077 32.060 41.135 -2.071 1.00 0.00 H ATOM 1022 HH21 ARG A1077 31.393 39.697 -1.216 1.00 0.00 H ATOM 1023 H ARG A1077 26.927 36.077 -5.475 1.00 0.00 H ATOM 1024 N ALA A1078 23.735 36.689 -5.616 1.00 22.65 N ATOM 1025 CA ALA A1078 22.325 36.792 -6.081 1.00 23.22 C ATOM 1026 C ALA A1078 21.489 35.578 -5.656 1.00 23.53 C ATOM 1027 O ALA A1078 20.363 35.734 -5.113 1.00 22.33 O ATOM 1028 CB ALA A1078 22.305 36.958 -7.582 1.00 24.72 C ATOM 1029 H ALA A1078 24.501 36.602 -6.314 1.00 0.00 H ATOM 1030 N CYS A1079 22.075 34.393 -5.788 1.00 23.48 N ATOM 1031 CA CYS A1079 21.466 33.171 -5.357 1.00 24.90 C ATOM 1032 C CYS A1079 21.295 33.124 -3.856 1.00 24.88 C ATOM 1033 O CYS A1079 20.290 32.609 -3.352 1.00 22.39 O ATOM 1034 CB CYS A1079 22.262 31.982 -5.850 1.00 27.74 C ATOM 1035 SG CYS A1079 22.200 31.779 -7.672 1.00 36.14 S ATOM 1036 H CYS A1079 23.018 34.351 -6.224 1.00 0.00 H ATOM 1037 N ALA A1080 22.265 33.678 -3.128 1.00 23.13 N ATOM 1038 CA ALA A1080 22.186 33.731 -1.670 1.00 22.42 C ATOM 1039 C ALA A1080 21.075 34.695 -1.227 1.00 22.30 C ATOM 1040 O ALA A1080 20.371 34.391 -0.287 1.00 22.89 O ATOM 1041 CB ALA A1080 23.536 34.109 -1.048 1.00 22.21 C ATOM 1042 H ALA A1080 23.095 34.081 -3.608 1.00 0.00 H ATOM 1043 N LEU A1081 20.918 35.811 -1.902 1.00 21.76 N ATOM 1044 CA LEU A1081 19.832 36.739 -1.624 1.00 22.23 C ATOM 1045 C LEU A1081 18.498 36.026 -1.783 1.00 22.03 C ATOM 1046 O LEU A1081 17.641 36.129 -0.889 1.00 20.66 O ATOM 1047 CB LEU A1081 19.885 37.934 -2.559 1.00 23.99 C ATOM 1048 CG LEU A1081 18.664 38.859 -2.532 1.00 26.71 C ATOM 1049 CD1 LEU A1081 18.665 39.592 -1.248 1.00 27.24 C ATOM 1050 CD2 LEU A1081 18.715 39.834 -3.684 1.00 29.76 C ATOM 1051 H LEU A1081 21.592 36.039 -2.660 1.00 0.00 H ATOM 1052 N ARG A1082 18.307 35.374 -2.925 1.00 23.50 N ATOM 1053 CA ARG A1082 17.074 34.645 -3.193 1.00 24.99 C ATOM 1054 C ARG A1082 16.834 33.544 -2.162 1.00 24.05 C ATOM 1055 O ARG A1082 15.752 33.457 -1.592 1.00 22.05 O ATOM 1056 CB ARG A1082 17.091 34.102 -4.617 1.00 27.11 C ATOM 1057 CG ARG A1082 15.814 33.428 -5.071 1.00 28.61 C ATOM 1058 CD ARG A1082 15.843 33.082 -6.546 1.00 31.66 C ATOM 1059 NE ARG A1082 14.526 32.650 -7.034 1.00 35.03 N ATOM 1060 CZ ARG A1082 14.114 31.389 -6.993 1.00 37.77 C ATOM 1061 NH1 ARG A1082 12.919 31.058 -7.444 1.00 37.31 N ATOM 1062 NH2 ARG A1082 14.915 30.454 -6.496 1.00 40.92 N ATOM 1063 HE ARG A1082 13.886 33.367 -7.431 1.00 0.00 H ATOM 1064 HH12 ARG A1082 12.606 30.067 -7.407 1.00 0.00 H ATOM 1065 HH11 ARG A1082 12.291 31.788 -7.836 1.00 0.00 H ATOM 1066 HH22 ARG A1082 14.599 29.464 -6.461 1.00 0.00 H ATOM 1067 HH21 ARG A1082 15.858 30.712 -6.142 1.00 0.00 H ATOM 1068 H ARG A1082 19.057 35.384 -3.646 1.00 0.00 H ATOM 1069 N ASP A1083 17.829 32.711 -1.904 1.00 24.03 N ATOM 1070 CA ASP A1083 17.691 31.649 -0.926 1.00 24.37 C ATOM 1071 C ASP A1083 17.389 32.147 0.468 1.00 22.13 C ATOM 1072 O ASP A1083 16.548 31.567 1.180 1.00 21.98 O ATOM 1073 CB ASP A1083 18.918 30.741 -0.878 1.00 27.08 C ATOM 1074 CG ASP A1083 19.151 29.994 -2.185 1.00 32.09 C ATOM 1075 OD1 ASP A1083 18.230 29.917 -3.066 1.00 33.70 O ATOM 1076 OD2 ASP A1083 20.312 29.532 -2.342 1.00 32.78 O ATOM 1077 H ASP A1083 18.729 32.820 -2.413 1.00 0.00 H ATOM 1078 N THR A1084 18.001 33.258 0.842 1.00 20.07 N ATOM 1079 CA THR A1084 17.798 33.828 2.139 1.00 19.60 C ATOM 1080 C THR A1084 16.374 34.384 2.333 1.00 19.14 C ATOM 1081 O THR A1084 15.746 34.138 3.351 1.00 18.45 O ATOM 1082 CB THR A1084 18.870 34.913 2.454 1.00 20.58 C ATOM 1083 OG1 THR A1084 20.168 34.293 2.452 1.00 20.86 O ATOM 1084 CG2 THR A1084 18.669 35.503 3.804 1.00 21.73 C ATOM 1085 HG1 THR A1084 20.342 33.896 1.562 1.00 0.00 H ATOM 1086 H THR A1084 18.646 33.730 0.177 1.00 0.00 H ATOM 1087 N ALA A1085 15.880 35.074 1.332 1.00 18.78 N ATOM 1088 CA ALA A1085 14.485 35.604 1.341 1.00 18.34 C ATOM 1089 C ALA A1085 13.508 34.473 1.445 1.00 18.76 C ATOM 1090 O ALA A1085 12.621 34.496 2.306 1.00 17.99 O ATOM 1091 CB ALA A1085 14.247 36.403 0.087 1.00 18.33 C ATOM 1092 H ALA A1085 16.482 35.258 0.504 1.00 0.00 H ATOM 1093 N TYR A1086 13.688 33.443 0.620 1.00 19.21 N ATOM 1094 CA TYR A1086 12.812 32.291 0.689 1.00 20.55 C ATOM 1095 C TYR A1086 12.852 31.574 2.033 1.00 21.16 C ATOM 1096 O TYR A1086 11.794 31.129 2.529 1.00 21.13 O ATOM 1097 CB TYR A1086 13.055 31.352 -0.483 1.00 22.78 C ATOM 1098 CG TYR A1086 12.330 31.732 -1.756 1.00 23.68 C ATOM 1099 CD1 TYR A1086 12.883 32.630 -2.662 1.00 23.89 C ATOM 1100 CD2 TYR A1086 11.086 31.140 -2.095 1.00 26.18 C ATOM 1101 CE1 TYR A1086 12.248 32.955 -3.866 1.00 24.65 C ATOM 1102 CE2 TYR A1086 10.436 31.479 -3.310 1.00 26.11 C ATOM 1103 CZ TYR A1086 11.035 32.379 -4.185 1.00 25.97 C ATOM 1104 OH TYR A1086 10.443 32.737 -5.379 1.00 25.49 O ATOM 1105 HH TYR A1086 11.024 33.383 -5.853 1.00 0.00 H ATOM 1106 H TYR A1086 14.460 33.466 -0.076 1.00 0.00 H ATOM 1107 N ALA A1087 14.029 31.435 2.633 1.00 19.77 N ATOM 1108 CA ALA A1087 14.176 30.738 3.926 1.00 20.95 C ATOM 1109 C ALA A1087 13.512 31.525 5.060 1.00 20.21 C ATOM 1110 O ALA A1087 12.874 30.954 5.942 1.00 19.84 O ATOM 1111 CB ALA A1087 15.648 30.530 4.274 1.00 22.01 C ATOM 1112 H ALA A1087 14.876 31.831 2.176 1.00 0.00 H ATOM 1113 N ILE A1088 13.686 32.839 5.049 1.00 19.41 N ATOM 1114 CA ILE A1088 13.035 33.669 6.063 1.00 19.64 C ATOM 1115 C ILE A1088 11.523 33.518 5.950 1.00 20.04 C ATOM 1116 O ILE A1088 10.820 33.288 6.951 1.00 21.09 O ATOM 1117 CB ILE A1088 13.402 35.156 5.916 1.00 19.19 C ATOM 1118 CG1 ILE A1088 14.874 35.375 6.317 1.00 20.08 C ATOM 1119 CG2 ILE A1088 12.480 36.028 6.794 1.00 19.35 C ATOM 1120 CD1 ILE A1088 15.392 36.751 5.966 1.00 20.51 C ATOM 1121 H ILE A1088 14.284 33.279 4.321 1.00 0.00 H ATOM 1122 N ILE A1089 11.020 33.625 4.732 1.00 20.91 N ATOM 1123 CA ILE A1089 9.582 33.477 4.468 1.00 21.67 C ATOM 1124 C ILE A1089 9.070 32.090 4.828 1.00 22.58 C ATOM 1125 O ILE A1089 8.038 31.933 5.492 1.00 19.75 O ATOM 1126 CB ILE A1089 9.284 33.961 3.041 1.00 24.62 C ATOM 1127 CG1 ILE A1089 9.337 35.516 3.043 1.00 25.03 C ATOM 1128 CG2 ILE A1089 7.949 33.462 2.530 1.00 27.16 C ATOM 1129 CD1 ILE A1089 9.569 36.068 1.681 1.00 29.86 C ATOM 1130 H ILE A1089 11.661 33.820 3.937 1.00 0.00 H ATOM 1131 N LYS A1090 9.822 31.066 4.478 1.00 22.95 N ATOM 1132 CA LYS A1090 9.432 29.739 4.873 1.00 26.13 C ATOM 1133 C LYS A1090 9.250 29.598 6.375 1.00 26.51 C ATOM 1134 O LYS A1090 8.308 28.947 6.815 1.00 25.95 O ATOM 1135 CB LYS A1090 10.433 28.694 4.376 1.00 30.85 C ATOM 1136 CG LYS A1090 10.119 27.295 4.883 1.00 38.74 C ATOM 1137 CD LYS A1090 10.376 26.287 3.779 1.00 48.86 C ATOM 1138 CE LYS A1090 10.254 24.849 4.285 1.00 58.85 C ATOM 1139 NZ LYS A1090 9.353 24.084 3.373 1.00 65.56 N ATOM 1140 HZ1 LYS A1090 8.414 24.531 3.360 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 9.752 24.085 2.413 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 9.267 23.105 3.713 1.00 0.00 H ATOM 1143 H LYS A1090 10.688 31.216 3.922 1.00 0.00 H ATOM 1144 N GLU A1091 10.129 30.193 7.156 1.00 25.48 N ATOM 1145 CA GLU A1091 10.063 30.061 8.572 1.00 27.12 C ATOM 1146 C GLU A1091 9.072 31.016 9.237 1.00 26.43 C ATOM 1147 O GLU A1091 8.571 30.716 10.313 1.00 26.34 O ATOM 1148 CB GLU A1091 11.434 30.298 9.173 1.00 30.19 C ATOM 1149 CG GLU A1091 11.569 29.735 10.560 1.00 34.27 C ATOM 1150 CD GLU A1091 11.746 28.219 10.566 1.00 40.04 C ATOM 1151 OE1 GLU A1091 10.732 27.488 10.660 1.00 42.10 O ATOM 1152 OE2 GLU A1091 12.912 27.759 10.514 1.00 45.25 O ATOM 1153 H GLU A1091 10.884 30.769 6.731 1.00 0.00 H ATOM 1154 N GLU A1092 8.808 32.163 8.623 1.00 21.91 N ATOM 1155 CA GLU A1092 8.115 33.235 9.354 1.00 21.43 C ATOM 1156 C GLU A1092 6.767 33.689 8.799 1.00 20.68 C ATOM 1157 O GLU A1092 6.064 34.449 9.467 1.00 22.56 O ATOM 1158 CB GLU A1092 9.040 34.448 9.499 1.00 20.32 C ATOM 1159 CG GLU A1092 10.319 34.103 10.273 1.00 21.59 C ATOM 1160 CD GLU A1092 11.311 35.230 10.319 1.00 21.62 C ATOM 1161 OE1 GLU A1092 10.910 36.409 10.360 1.00 19.58 O ATOM 1162 OE2 GLU A1092 12.526 34.948 10.317 1.00 19.27 O ATOM 1163 H GLU A1092 9.089 32.303 7.632 1.00 0.00 H ATOM 1164 N LEU A1093 6.448 33.274 7.593 1.00 20.56 N ATOM 1165 CA LEU A1093 5.169 33.601 6.986 1.00 20.73 C ATOM 1166 C LEU A1093 4.143 32.525 7.359 1.00 21.84 C ATOM 1167 O LEU A1093 4.314 31.355 7.069 1.00 21.46 O ATOM 1168 CB LEU A1093 5.281 33.635 5.479 1.00 21.79 C ATOM 1169 CG LEU A1093 3.967 33.815 4.690 1.00 21.97 C ATOM 1170 CD1 LEU A1093 3.247 35.092 5.032 1.00 20.58 C ATOM 1171 CD2 LEU A1093 4.203 33.703 3.190 1.00 23.37 C ATOM 1172 H LEU A1093 7.129 32.697 7.060 1.00 0.00 H ATOM 1173 N ASP A1094 3.070 32.934 8.012 1.00 21.07 N ATOM 1174 CA ASP A1094 1.951 32.008 8.228 1.00 21.74 C ATOM 1175 C ASP A1094 1.239 31.684 6.920 1.00 21.73 C ATOM 1176 O ASP A1094 0.824 32.591 6.194 1.00 20.81 O ATOM 1177 CB ASP A1094 1.016 32.552 9.310 1.00 22.69 C ATOM 1178 CG ASP A1094 -0.090 31.565 9.615 1.00 25.71 C ATOM 1179 OD1 ASP A1094 -0.912 31.309 8.709 1.00 26.58 O ATOM 1180 OD2 ASP A1094 -0.038 30.972 10.687 1.00 24.83 O ATOM 1181 H ASP A1094 3.018 33.908 8.372 1.00 0.00 H ATOM 1182 N GLU A1095 1.136 30.408 6.581 1.00 23.41 N ATOM 1183 CA GLU A1095 0.498 30.020 5.322 1.00 26.14 C ATOM 1184 C GLU A1095 -0.967 30.469 5.190 1.00 24.92 C ATOM 1185 O GLU A1095 -1.404 30.777 4.097 1.00 24.97 O ATOM 1186 CB GLU A1095 0.556 28.523 5.106 1.00 31.32 C ATOM 1187 CG GLU A1095 1.947 28.003 4.848 1.00 38.06 C ATOM 1188 CD GLU A1095 1.989 26.490 4.623 1.00 45.73 C ATOM 1189 OE1 GLU A1095 1.010 25.759 4.948 1.00 53.39 O ATOM 1190 OE2 GLU A1095 3.014 26.042 4.103 1.00 52.97 O ATOM 1191 H GLU A1095 1.512 29.675 7.215 1.00 0.00 H ATOM 1192 N ASP A1096 -1.699 30.498 6.294 1.00 23.84 N ATOM 1193 CA ASP A1096 -3.121 30.940 6.267 1.00 25.16 C ATOM 1194 C ASP A1096 -3.222 32.439 6.068 1.00 23.46 C ATOM 1195 O ASP A1096 -4.164 32.952 5.415 1.00 22.30 O ATOM 1196 CB ASP A1096 -3.853 30.509 7.549 1.00 25.41 C ATOM 1197 CG ASP A1096 -4.046 28.981 7.658 1.00 29.37 C ATOM 1198 OD1 ASP A1096 -4.272 28.274 6.663 1.00 30.19 O ATOM 1199 OD2 ASP A1096 -3.910 28.500 8.782 1.00 32.47 O ATOM 1200 H ASP A1096 -1.272 30.207 7.197 1.00 0.00 H ATOM 1201 N PHE A1097 -2.223 33.157 6.607 1.00 21.89 N ATOM 1202 CA PHE A1097 -2.096 34.577 6.360 1.00 21.00 C ATOM 1203 C PHE A1097 -1.893 34.882 4.873 1.00 21.15 C ATOM 1204 O PHE A1097 -2.584 35.729 4.297 1.00 21.98 O ATOM 1205 CB PHE A1097 -0.978 35.218 7.209 1.00 20.28 C ATOM 1206 CG PHE A1097 -0.845 36.716 6.974 1.00 20.08 C ATOM 1207 CD1 PHE A1097 -1.609 37.611 7.706 1.00 20.99 C ATOM 1208 CD2 PHE A1097 -0.046 37.205 5.955 1.00 20.78 C ATOM 1209 CE1 PHE A1097 -1.539 38.975 7.450 1.00 20.90 C ATOM 1210 CE2 PHE A1097 0.057 38.561 5.702 1.00 20.12 C ATOM 1211 CZ PHE A1097 -0.691 39.456 6.461 1.00 20.77 C ATOM 1212 H PHE A1097 -1.526 32.682 7.215 1.00 0.00 H ATOM 1213 N GLU A1098 -0.944 34.214 4.230 1.00 20.86 N ATOM 1214 CA GLU A1098 -0.773 34.322 2.816 1.00 20.86 C ATOM 1215 C GLU A1098 -2.031 33.924 2.056 1.00 21.29 C ATOM 1216 O GLU A1098 -2.352 34.525 1.024 1.00 20.25 O ATOM 1217 CB GLU A1098 0.372 33.413 2.366 1.00 21.52 C ATOM 1218 CG GLU A1098 0.674 33.427 0.849 1.00 22.09 C ATOM 1219 CD GLU A1098 0.983 34.786 0.197 1.00 22.93 C ATOM 1220 OE1 GLU A1098 1.255 35.786 0.892 1.00 23.79 O ATOM 1221 OE2 GLU A1098 0.971 34.858 -1.045 1.00 23.35 O ATOM 1222 H GLU A1098 -0.307 33.595 4.770 1.00 0.00 H ATOM 1223 N GLN A1099 -2.695 32.844 2.479 1.00 21.91 N ATOM 1224 CA GLN A1099 -3.858 32.386 1.732 1.00 23.71 C ATOM 1225 C GLN A1099 -4.942 33.454 1.730 1.00 22.91 C ATOM 1226 O GLN A1099 -5.615 33.693 0.707 1.00 24.48 O ATOM 1227 CB GLN A1099 -4.391 31.076 2.280 1.00 25.54 C ATOM 1228 CG GLN A1099 -5.571 30.530 1.479 1.00 27.61 C ATOM 1229 CD GLN A1099 -5.192 30.066 0.084 1.00 31.18 C ATOM 1230 OE1 GLN A1099 -4.070 29.685 -0.163 1.00 33.03 O ATOM 1231 NE2 GLN A1099 -6.128 30.138 -0.842 1.00 33.09 N ATOM 1232 HE22 GLN A1099 -7.081 30.470 -0.593 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -5.913 29.862 -1.821 1.00 0.00 H ATOM 1234 H GLN A1099 -2.385 32.336 3.332 1.00 0.00 H ATOM 1235 N LEU A1100 -5.085 34.103 2.864 1.00 22.10 N ATOM 1236 CA LEU A1100 -6.008 35.203 3.025 1.00 22.46 C ATOM 1237 C LEU A1100 -5.702 36.356 2.073 1.00 23.82 C ATOM 1238 O LEU A1100 -6.597 36.880 1.360 1.00 23.61 O ATOM 1239 CB LEU A1100 -6.035 35.658 4.478 1.00 22.86 C ATOM 1240 CG LEU A1100 -6.958 36.836 4.857 1.00 22.81 C ATOM 1241 CD1 LEU A1100 -8.389 36.591 4.318 1.00 25.46 C ATOM 1242 CD2 LEU A1100 -6.941 37.141 6.345 1.00 23.39 C ATOM 1243 H LEU A1100 -4.509 33.812 3.680 1.00 0.00 H ATOM 1244 N CYS A1101 -4.420 36.738 2.021 1.00 22.44 N ATOM 1245 CA CYS A1101 -4.022 37.798 1.128 1.00 22.88 C ATOM 1246 C CYS A1101 -4.394 37.423 -0.289 1.00 22.86 C ATOM 1247 O CYS A1101 -4.914 38.245 -1.018 1.00 23.77 O ATOM 1248 CB CYS A1101 -2.513 38.082 1.273 1.00 22.11 C ATOM 1249 SG CYS A1101 -1.977 38.830 2.820 1.00 22.85 S ATOM 1250 H CYS A1101 -3.712 36.271 2.624 1.00 0.00 H ATOM 1251 N GLU A1102 -4.144 36.172 -0.677 1.00 23.57 N ATOM 1252 CA GLU A1102 -4.344 35.758 -2.041 1.00 26.42 C ATOM 1253 C GLU A1102 -5.839 35.784 -2.354 1.00 27.80 C ATOM 1254 O GLU A1102 -6.236 36.206 -3.436 1.00 27.62 O ATOM 1255 CB GLU A1102 -3.710 34.394 -2.322 1.00 28.09 C ATOM 1256 CG GLU A1102 -2.166 34.453 -2.308 1.00 29.29 C ATOM 1257 CD GLU A1102 -1.467 33.109 -2.510 1.00 32.74 C ATOM 1258 OE1 GLU A1102 -2.149 32.187 -2.982 1.00 34.93 O ATOM 1259 OE2 GLU A1102 -0.224 32.972 -2.246 1.00 31.33 O ATOM 1260 H GLU A1102 -3.798 35.482 0.020 1.00 0.00 H ATOM 1261 N GLU A1103 -6.655 35.391 -1.372 1.00 27.67 N ATOM 1262 CA GLU A1103 -8.110 35.370 -1.556 1.00 28.48 C ATOM 1263 C GLU A1103 -8.675 36.764 -1.701 1.00 28.43 C ATOM 1264 O GLU A1103 -9.493 36.991 -2.609 1.00 30.01 O ATOM 1265 CB GLU A1103 -8.807 34.523 -0.474 1.00 26.75 C ATOM 1266 CG GLU A1103 -8.578 33.049 -0.817 1.00 27.42 C ATOM 1267 CD GLU A1103 -9.259 32.028 0.082 1.00 28.00 C ATOM 1268 OE1 GLU A1103 -10.124 32.426 0.901 1.00 25.47 O ATOM 1269 OE2 GLU A1103 -8.875 30.820 -0.059 1.00 29.41 O ATOM 1270 H GLU A1103 -6.251 35.095 -0.461 1.00 0.00 H ATOM 1271 N ILE A1104 -8.201 37.703 -0.881 1.00 27.94 N ATOM 1272 CA ILE A1104 -8.625 39.082 -1.003 1.00 29.08 C ATOM 1273 C ILE A1104 -8.209 39.600 -2.383 1.00 33.15 C ATOM 1274 O ILE A1104 -9.037 40.087 -3.154 1.00 33.57 O ATOM 1275 CB ILE A1104 -8.075 39.960 0.095 1.00 28.50 C ATOM 1276 CG1 ILE A1104 -8.582 39.521 1.452 1.00 26.98 C ATOM 1277 CG2 ILE A1104 -8.458 41.402 -0.157 1.00 29.42 C ATOM 1278 CD1 ILE A1104 -7.778 40.015 2.594 1.00 25.51 C ATOM 1279 H ILE A1104 -7.517 37.441 -0.143 1.00 0.00 H ATOM 1280 N GLN A1105 -6.943 39.394 -2.759 1.00 33.81 N ATOM 1281 CA GLN A1105 -6.469 39.859 -4.062 1.00 36.80 C ATOM 1282 C GLN A1105 -7.366 39.301 -5.173 1.00 39.36 C ATOM 1283 O GLN A1105 -7.768 40.043 -6.061 1.00 41.68 O ATOM 1284 CB GLN A1105 -5.016 39.433 -4.325 1.00 35.40 C ATOM 1285 CG GLN A1105 -4.463 39.786 -5.703 1.00 37.21 C ATOM 1286 CD GLN A1105 -3.065 39.215 -5.900 1.00 38.43 C ATOM 1287 OE1 GLN A1105 -2.863 38.001 -5.774 1.00 39.24 O ATOM 1288 NE2 GLN A1105 -2.076 40.082 -6.151 1.00 37.88 N ATOM 1289 HE22 GLN A1105 -2.286 41.096 -6.250 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -1.098 39.742 -6.247 1.00 0.00 H ATOM 1291 H GLN A1105 -6.289 38.899 -2.119 1.00 0.00 H ATOM 1292 N GLU A1106 -7.677 38.004 -5.123 1.00 41.92 N ATOM 1293 CA GLU A1106 -8.434 37.341 -6.204 1.00 44.72 C ATOM 1294 C GLU A1106 -9.870 37.826 -6.273 1.00 47.92 C ATOM 1295 O GLU A1106 -10.509 37.673 -7.313 1.00 49.53 O ATOM 1296 CB GLU A1106 -8.480 35.831 -6.031 1.00 50.23 C ATOM 1297 CG GLU A1106 -7.200 35.050 -6.283 1.00 56.34 C ATOM 1298 CD GLU A1106 -7.372 33.559 -5.953 1.00 67.34 C ATOM 1299 OE1 GLU A1106 -7.437 32.747 -6.917 1.00 77.20 O ATOM 1300 OE2 GLU A1106 -7.488 33.191 -4.745 1.00 66.75 O ATOM 1301 H GLU A1106 -7.378 37.444 -4.299 1.00 0.00 H ATOM 1302 N SER A1107 -10.384 38.373 -5.176 1.00 47.85 N ATOM 1303 CA SER A1107 -11.735 38.948 -5.147 1.00 53.16 C ATOM 1304 C SER A1107 -11.786 40.400 -5.630 1.00 58.01 C ATOM 1305 O SER A1107 -12.857 40.978 -5.658 1.00 60.32 O ATOM 1306 CB SER A1107 -12.323 38.905 -3.740 1.00 47.94 C ATOM 1307 OG SER A1107 -11.781 39.962 -2.952 1.00 49.22 O ATOM 1308 HG SER A1107 -12.168 39.925 -2.042 1.00 0.00 H ATOM 1309 H SER A1107 -9.810 38.395 -4.309 1.00 0.00 H ATOM 1310 N ARG A1108 -10.642 41.004 -5.946 1.00 60.77 N ATOM 1311 CA ARG A1108 -10.617 42.373 -6.462 1.00 65.61 C ATOM 1312 C ARG A1108 -10.323 42.374 -7.976 1.00 72.16 C ATOM 1313 O ARG A1108 -10.266 43.435 -8.589 1.00 76.81 O ATOM 1314 CB ARG A1108 -9.594 43.217 -5.687 1.00 64.70 C ATOM 1315 CG ARG A1108 -9.890 43.302 -4.192 1.00 63.67 C ATOM 1316 CD ARG A1108 -8.954 44.239 -3.434 1.00 60.89 C ATOM 1317 NE ARG A1108 -9.408 44.411 -2.048 1.00 57.92 N ATOM 1318 CZ ARG A1108 -8.798 45.153 -1.107 1.00 56.56 C ATOM 1319 NH1 ARG A1108 -7.670 45.830 -1.372 1.00 55.36 N ATOM 1320 NH2 ARG A1108 -9.317 45.206 0.127 1.00 53.42 N ATOM 1321 OXT ARG A1108 -10.133 41.338 -8.638 1.00 70.54 O ATOM 1322 HE ARG A1108 -10.279 43.915 -1.770 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -7.217 46.397 -0.627 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -7.249 45.788 -2.322 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -8.853 45.777 0.862 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -10.184 44.676 0.350 1.00 0.00 H ATOM 1327 H ARG A1108 -9.746 40.491 -5.823 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 15.852 28.998 0.645 1.00 27.25 O HETATM 1330 O HOH 2 -0.175 29.998 1.841 1.00 35.15 O HETATM 1331 O HOH 3 18.222 44.783 -11.539 1.00 25.37 O HETATM 1332 O HOH 4 20.270 38.536 5.431 1.00 45.33 O HETATM 1333 O HOH 5 24.856 31.349 -3.181 1.00 35.23 O HETATM 1334 O HOH 6 6.822 48.556 9.211 1.00 18.15 O HETATM 1335 O HOH 7 -4.516 28.166 3.891 1.00 38.20 O HETATM 1336 O HOH 8 5.680 29.488 5.776 1.00 37.76 O HETATM 1337 O HOH 9 -2.219 29.278 10.886 1.00 35.96 O HETATM 1338 O HOH 10 8.431 46.343 9.481 1.00 15.46 O HETATM 1339 O HOH 11 17.980 38.138 9.808 1.00 37.24 O HETATM 1340 O HOH 12 2.813 46.765 -0.605 1.00 19.15 O HETATM 1341 O HOH 13 11.179 47.229 9.206 1.00 30.44 O HETATM 1342 O HOH 14 2.045 28.283 8.232 1.00 30.17 O HETATM 1343 O HOH 15 2.697 30.483 2.033 1.00 35.12 O HETATM 1344 O HOH 16 -5.468 39.505 8.884 1.00 36.46 O HETATM 1345 O HOH 17 14.709 42.284 -16.609 1.00 30.45 O HETATM 1346 O HOH 18 -0.307 46.629 0.416 1.00 25.07 O HETATM 1347 O HOH 19 20.495 40.515 8.036 1.00 35.63 O HETATM 1348 O HOH 20 -0.285 36.699 -5.613 1.00 31.12 O HETATM 1349 O HOH 21 15.203 34.086 -9.810 1.00 29.79 O HETATM 1350 O HOH 22 36.208 32.291 -11.584 1.00 29.32 O HETATM 1351 O HOH 23 15.340 48.623 5.246 1.00 51.35 O HETATM 1352 O HOH 24 26.422 41.537 7.024 1.00 34.44 O HETATM 1353 O HOH 25 23.930 45.444 2.022 1.00 29.96 O HETATM 1354 O HOH 26 -12.100 34.304 1.373 1.00 26.17 O HETATM 1355 O HOH 27 15.618 38.756 -15.373 1.00 31.68 O HETATM 1356 O HOH 28 25.798 46.793 3.230 1.00 44.23 O HETATM 1357 O HOH 29 18.030 28.001 1.701 1.00 41.41 O HETATM 1358 O HOH 30 9.060 54.500 0.653 1.00 34.14 O HETATM 1359 O HOH 31 6.295 36.436 11.203 1.00 20.77 O HETATM 1360 O HOH 32 12.898 38.747 -16.112 1.00 49.65 O HETATM 1361 O HOH 33 -11.767 43.223 -1.470 1.00 47.81 O HETATM 1362 O HOH 34 21.805 34.007 4.498 1.00 29.47 O HETATM 1363 O HOH 35 13.471 28.183 6.279 1.00 39.69 O HETATM 1364 O HOH 36 26.192 31.786 -16.888 1.00 51.73 O HETATM 1365 O HOH 37 18.430 34.727 -15.261 1.00 35.84 O HETATM 1366 O HOH 38 15.928 42.209 -19.028 1.00 50.17 O HETATM 1367 O HOH 39 8.069 44.215 -10.880 1.00 36.20 O HETATM 1368 O HOH 40 34.656 34.779 -7.656 1.00 25.32 O HETATM 1369 O HOH 41 33.277 42.467 -2.685 1.00 44.12 O HETATM 1370 O HOH 42 8.839 28.198 11.829 1.00 50.86 O HETATM 1371 O HOH 43 -1.066 37.298 11.772 1.00 28.23 O HETATM 1372 O HOH 44 -8.031 41.314 9.570 1.00 48.43 O HETATM 1373 O HOH 45 13.448 52.929 -0.811 1.00 38.58 O HETATM 1374 O HOH 46 -3.797 41.098 10.062 1.00 35.70 O HETATM 1375 O HOH 47 23.237 50.855 -0.308 1.00 47.30 O HETATM 1376 O HOH 48 17.397 32.910 -10.659 1.00 44.53 O HETATM 1377 O HOH 49 9.733 29.891 1.024 1.00 34.05 O HETATM 1378 O HOH 50 -4.047 48.589 4.394 1.00 38.74 O HETATM 1379 O HOH 51 21.669 42.790 -11.970 1.00 30.07 O HETATM 1380 O HOH 52 31.291 40.729 -8.175 1.00 45.24 O HETATM 1381 O HOH 53 27.226 43.058 -2.726 1.00 26.90 O HETATM 1382 O HOH 54 12.636 48.993 -10.297 1.00 41.47 O HETATM 1383 O HOH 55 12.105 41.362 -16.902 1.00 50.62 O HETATM 1384 O HOH 56 0.030 53.003 -5.377 1.00 57.29 O HETATM 1385 O HOH 57 13.096 33.641 -12.216 1.00 46.99 O HETATM 1386 O HOH 58 21.743 28.719 -4.596 1.00 50.10 O HETATM 1387 O HOH 59 18.056 49.325 0.119 1.00 44.40 O HETATM 1388 O HOH 60 -0.256 27.220 8.729 1.00 51.04 O HETATM 1389 O HOH 61 19.714 50.098 1.711 1.00 49.35 O HETATM 1390 O HOH 62 14.996 52.845 -5.931 1.00 53.71 O HETATM 1391 O HOH 63 -3.514 51.301 6.241 1.00 46.40 O HETATM 1392 O HOH 64 27.874 30.251 -10.939 1.00 63.92 O HETATM 1393 O HOH 65 -6.871 27.109 7.457 1.00 52.69 O HETATM 1394 O HOH 66 11.312 27.821 0.414 1.00 43.51 O HETATM 1395 O HOH 67 9.802 52.256 4.466 1.00 40.28 O HETATM 1396 O HOH 68 27.078 33.601 0.766 1.00 33.73 O HETATM 1397 O HOH 69 0.827 54.580 -0.474 1.00 46.48 O HETATM 1398 O HOH 70 0.906 32.325 13.014 1.00 41.96 O HETATM 1399 O HOH 71 30.768 30.264 -14.643 1.00 47.48 O HETATM 1400 O HOH 72 -2.231 47.512 11.563 1.00 35.63 O HETATM 1401 O HOH 73 21.666 48.725 3.547 1.00 42.19 O HETATM 1402 O HOH 74 24.236 48.439 -7.127 1.00 48.00 O HETATM 1403 O HOH 75 7.671 47.463 -10.741 1.00 35.02 O HETATM 1404 O HOH 76 14.636 33.185 -14.171 1.00 50.52 O HETATM 1405 O HOH 77 30.056 39.489 -18.034 1.00 39.79 O HETATM 1406 O HOH 78 11.203 50.106 5.201 1.00 42.98 O HETATM 1407 O HOH 79 9.124 39.963 9.204 1.00 34.32 O HETATM 1408 O HOH 80 23.134 36.061 -20.068 1.00 48.75 O HETATM 1409 O HOH 81 0.057 46.131 -7.431 1.00 45.69 O HETATM 1410 O HOH 82 -9.307 43.540 11.499 1.00 58.59 O HETATM 1411 O HOH 83 -1.147 54.154 -1.758 1.00 51.98 O HETATM 1412 O HOH 84 28.696 41.440 -6.150 1.00 40.62 O HETATM 1413 O HOH 85 -9.198 40.241 6.452 1.00 48.29 O HETATM 1414 O HOH 86 11.565 47.346 -13.413 1.00 53.35 O HETATM 1415 O HOH 87 23.403 41.068 8.587 1.00 57.88 O HETATM 1416 O HOH 88 29.601 44.544 0.794 1.00 56.37 O HETATM 1417 O HOH 89 -0.494 38.921 -9.300 1.00 61.38 O HETATM 1418 O HOH 90 25.207 46.777 6.268 1.00 56.01 O HETATM 1419 O HOH 91 12.652 53.920 -4.875 1.00 43.73 O HETATM 1420 O HOH 92 26.715 38.645 5.720 1.00 61.96 O HETATM 1421 O HOH 93 15.457 27.494 -6.005 1.00 64.60 O HETATM 1422 O HOH 94 8.094 40.893 -10.534 1.00 47.28 O HETATM 1423 O HOH 95 14.252 43.662 10.002 1.00 39.80 O HETATM 1424 O HOH 96 38.511 38.456 -15.152 1.00 59.78 O HETATM 1425 O HOH 97 24.574 30.588 -11.127 1.00 59.15 O HETATM 1426 O HOH 98 24.320 33.117 -15.361 1.00 49.17 O HETATM 1427 O HOH 99 8.916 39.189 -12.800 1.00 46.99 O HETATM 1428 O HOH 100 12.817 47.593 4.853 1.00 41.39 O HETATM 1429 O HOH 101 25.714 41.478 -20.344 1.00 53.60 O HETATM 1430 O HOH 102 15.548 31.841 7.884 1.00 52.37 O HETATM 1431 O HOH 103 15.690 50.834 -11.171 1.00 53.04 O HETATM 1432 O HOH 104 5.112 47.070 -12.106 1.00 60.99 O HETATM 1433 O HOH 105 7.012 40.868 10.711 1.00 20.01 O HETATM 1434 O HOH 106 19.559 30.445 2.732 1.00 43.44 O HETATM 1435 O HOH 107 17.538 32.770 6.579 1.00 53.02 O HETATM 1436 O HOH 108 14.414 26.881 4.118 1.00 36.83 O HETATM 1437 O HOH 109 28.936 42.156 -17.475 1.00 58.96 O HETATM 1438 O HOH 110 25.910 31.317 0.295 1.00 38.04 O HETATM 1439 O HOH 111 29.439 44.516 -2.262 1.00 38.67 O HETATM 1440 O HOH 112 17.233 26.970 4.140 1.00 53.98 O HETATM 1441 O HOH 113 11.512 49.266 -15.937 1.00 46.66 O HETATM 1442 O HOH 114 21.778 31.649 1.372 1.00 51.85 O HETATM 1443 O HOH 115 19.960 42.562 -9.865 1.00 27.24 O HETATM 1444 O HOH 116 19.669 44.608 -8.249 1.00 25.68 O HETATM 1445 O HOH 117 21.002 46.701 -8.498 1.00 35.79 O HETATM 1446 O HOH 118 18.931 47.510 -10.665 1.00 43.07 O HETATM 1447 O HOH 119 16.446 48.795 -9.866 1.00 37.26 O HETATM 1448 O HOH 120 12.747 36.357 -12.283 1.00 28.59 O HETATM 1449 O HOH 121 10.274 37.264 -11.278 1.00 25.65 O HETATM 1450 O HOH 122 6.435 42.469 -14.805 1.00 53.95 O HETATM 1451 O HOH 123 0.445 42.271 -5.306 1.00 35.98 O HETATM 1452 O HOH 124 -6.519 45.242 -5.783 1.00 49.95 O HETATM 1453 O HOH 125 -12.345 39.919 -0.551 1.00 45.41 O HETATM 1454 O HOH 126 -3.946 35.579 -5.675 1.00 48.64 O HETATM 1455 O HOH 127 -1.421 30.594 -0.171 1.00 37.95 O HETATM 1456 O HOH 128 13.626 27.910 1.658 1.00 32.14 O HETATM 1457 O HOH 129 38.947 26.257 -15.619 1.00 29.57 O HETATM 1458 O HOH 130 38.386 33.908 -16.094 1.00 35.07 O HETATM 1459 O HOH 131 35.712 29.437 -19.806 1.00 53.46 O HETATM 1460 O HOH 132 5.160 55.993 -0.423 1.00 35.62 O HETATM 1461 O HOH 133 3.164 57.297 -0.905 1.00 48.92 O HETATM 1462 O HOH 134 7.188 54.608 -1.605 1.00 34.43 O HETATM 1463 O HOH 135 8.161 52.385 -6.902 1.00 38.12 O HETATM 1464 O HOH 136 9.974 51.032 -7.612 1.00 43.50 O HETATM 1465 O HOH 137 12.537 48.715 -19.795 1.00 41.89 O HETATM 1466 O HOH 138 18.767 50.131 -14.648 1.00 52.55 O HETATM 1467 O HOH 139 15.921 49.493 -18.038 1.00 53.49 O HETATM 1468 O HOH 140 27.834 48.090 -3.874 1.00 55.06 O HETATM 1469 O HOH 141 5.026 38.855 11.092 1.00 16.19 O HETATM 1470 O HOH 142 3.293 35.096 11.537 1.00 36.91 O HETATM 1471 O HOH 143 -4.683 36.845 9.074 1.00 28.02 O HETATM 1472 O HOH 144 9.191 34.862 -10.715 1.00 38.12 O HETATM 1473 O HOH 145 5.790 41.353 -8.436 1.00 37.94 O HETATM 1474 O HOH 146 5.916 29.275 8.709 1.00 64.92 O HETATM 1475 O HOH 147 28.875 31.100 -8.197 1.00 47.79 O HETATM 1476 O HOH 148 25.085 27.407 -1.995 1.00 52.18 O HETATM 1477 O HOH 149 19.099 36.977 7.338 1.00 55.22 O HETATM 1478 O HOH 150 17.224 35.885 9.759 1.00 39.51 O HETATM 1479 O HOH 151 13.969 32.867 10.365 1.00 35.76 O HETATM 1480 O HOH 152 15.390 28.895 8.025 1.00 52.62 O HETATM 1481 O HOH 153 8.469 25.982 8.332 1.00 58.95 O HETATM 1482 O HOH 154 5.886 51.362 -8.203 1.00 46.66 O HETATM 1483 O HOH 155 20.388 33.894 -16.994 1.00 50.40 O HETATM 1484 O HOH 156 17.515 32.972 -13.688 1.00 43.12 O HETATM 1485 O HOH 157 9.419 35.165 -15.674 1.00 64.06 O HETATM 1486 O HOH 158 10.902 28.098 -5.350 1.00 69.08 O HETATM 1487 O HOH 159 32.771 32.429 -19.463 1.00 55.56 O HETATM 1488 O HOH 160 25.846 51.342 -10.519 1.00 54.29 O HETATM 1489 O HOH 161 34.548 41.320 -13.581 1.00 54.43 O HETATM 1490 O HOH 162 36.586 39.057 -12.887 1.00 43.31 O HETATM 1491 O HOH 163 29.831 43.846 -6.825 1.00 49.09 O HETATM 1492 O HOH 164 32.176 43.294 -4.955 1.00 58.47 O HETATM 1493 O HOH 165 31.670 42.163 1.566 1.00 48.31 O HETATM 1494 O HOH 166 30.372 40.224 1.862 1.00 43.27 O HETATM 1495 O HOH 167 29.777 36.055 4.086 1.00 47.26 O HETATM 1496 O HOH 168 28.608 33.895 3.289 1.00 35.66 O HETATM 1497 O HOH 169 18.996 30.973 4.936 1.00 45.45 O HETATM 1498 O HOH 170 23.879 31.747 2.477 1.00 42.98 O HETATM 1499 O HOH 171 22.635 30.451 -0.778 1.00 55.21 O HETATM 1500 O HOH 172 5.911 31.452 -3.891 1.00 62.75 O HETATM 1501 O HOH 173 7.263 29.752 1.722 1.00 57.54 O HETATM 1502 O HOH 174 11.321 26.422 8.091 1.00 48.62 O HETATM 1503 O HOH 175 2.549 29.533 11.295 1.00 56.70 O HETATM 1504 O HOH 176 3.039 34.561 15.423 1.00 45.33 O HETATM 1505 O HOH 177 0.774 35.089 11.882 1.00 47.13 O HETATM 1506 O HOH 178 -2.525 26.212 7.118 1.00 65.33 O HETATM 1507 O HOH 179 11.854 27.133 -2.331 1.00 65.88 O HETATM 1508 O HOH 180 -15.662 41.002 7.885 1.00 55.97 O HETATM 1509 O HOH 181 -11.048 48.108 2.198 1.00 59.18 O HETATM 1510 O HOH 182 -4.243 50.487 -1.239 1.00 57.30 O HETATM 1511 O HOH 183 -1.424 50.675 -5.985 1.00 54.77 O HETATM 1512 O HOH 184 -14.977 39.722 5.615 1.00 57.98 O HETATM 1513 O HOH 185 -13.223 41.373 6.618 1.00 60.66 O HETATM 1514 O HOH 186 -8.053 49.485 9.022 1.00 58.94 O HETATM 1515 O HOH 187 -8.223 48.988 12.111 1.00 64.57 O HETATM 1516 O HOH 188 7.091 25.066 4.896 1.00 56.26 O HETATM 1517 O HOH 189 14.010 52.254 4.189 1.00 56.67 O HETATM 1518 O HOH 190 11.457 54.539 0.123 1.00 45.70 O HETATM 1519 O HOH 191 15.746 48.550 1.064 1.00 46.90 O HETATM 1520 O HOH 192 18.150 31.556 11.610 1.00 60.79 O HETATM 1521 O HOH 193 15.171 32.379 12.749 1.00 48.30 O HETATM 1522 O HOH 194 29.950 38.867 4.189 1.00 58.20 O HETATM 1523 O HOH 195 22.396 51.275 -17.867 1.00 50.03 O HETATM 1524 O HOH 196 8.052 41.088 -18.742 1.00 62.66 O HETATM 1525 O HOH 197 8.936 46.122 -13.233 1.00 59.96 O HETATM 1526 O HOH 198 3.592 47.409 -9.684 1.00 53.45 O HETATM 1527 O HOH 199 5.229 49.273 -9.621 1.00 56.53 O HETATM 1528 O HOH 200 19.278 49.342 -12.125 1.00 54.01 O HETATM 1529 O HOH 201 15.309 52.195 1.693 1.00 57.46 O HETATM 1530 O HOH 202 5.243 29.956 3.603 1.00 50.86 O HETATM 1531 O HOH 203 32.955 25.931 -12.677 1.00 52.10 O HETATM 1532 O HOH 204 11.922 25.745 12.276 1.00 61.13 O HETATM 1533 O HOH 205 4.543 27.119 7.794 1.00 56.71 O HETATM 1534 O HOH 206 -8.947 39.106 -10.205 1.00 67.85 O HETATM 1535 O5' THM A 207 25.764 48.860 -9.131 1.00 -0.39 O HETATM 1536 C5' THM A 207 27.005 49.214 -8.507 1.00 0.07 C HETATM 1537 C4' THM A 207 28.145 48.630 -9.328 1.00 0.11 C HETATM 1538 O4' THM A 207 28.066 47.203 -9.247 1.00 -0.34 O HETATM 1539 C1' THM A 207 28.123 46.609 -10.550 1.00 0.18 C HETATM 1540 C2' THM A 207 28.060 47.722 -11.582 1.00 0.03 C HETATM 1541 C3' THM A 207 28.074 49.022 -10.810 1.00 0.09 C HETATM 1542 O3' THM A 207 29.185 49.836 -11.233 1.00 -0.39 O HETATM 1543 H THM A 207 29.201 50.638 -10.723 1.00 0.21 H HETATM 1544 H THM A 207 27.143 49.578 -10.995 1.00 0.06 H HETATM 1545 H THM A 207 28.930 47.669 -12.253 1.00 0.03 H HETATM 1546 H THM A 207 27.136 47.641 -12.173 1.00 0.03 H HETATM 1547 N1 THM A 207 27.014 45.689 -10.858 1.00 -0.17 N HETATM 1548 C2 THM A 207 27.213 44.731 -11.899 1.00 0.33 C HETATM 1549 O2 THM A 207 28.289 44.609 -12.536 1.00 -0.38 O HETATM 1550 N3 THM A 207 26.244 43.887 -12.240 1.00 -0.19 N HETATM 1551 C4 THM A 207 25.059 43.900 -11.629 1.00 0.19 C HETATM 1552 O4 THM A 207 24.267 43.053 -12.016 1.00 -0.41 O HETATM 1553 C5 THM A 207 24.784 44.869 -10.539 1.00 0.02 C HETATM 1554 C5M THM A 207 23.459 44.928 -9.810 1.00 -0.04 C HETATM 1555 H THM A 207 23.494 45.722 -9.049 1.00 0.03 H HETATM 1556 H THM A 207 23.265 43.961 -9.322 1.00 0.03 H HETATM 1557 H THM A 207 22.654 45.144 -10.528 1.00 0.03 H HETATM 1558 C6 THM A 207 25.822 45.759 -10.209 1.00 0.05 C HETATM 1559 H THM A 207 25.670 46.506 -9.431 1.00 0.10 H HETATM 1560 H THM A 207 26.408 43.226 -12.973 1.00 0.23 H HETATM 1561 H THM A 207 29.073 46.062 -10.642 1.00 0.10 H HETATM 1562 H THM A 207 29.101 48.978 -8.911 1.00 0.06 H HETATM 1563 H THM A 207 27.036 48.805 -7.486 1.00 0.06 H HETATM 1564 H THM A 207 27.101 50.309 -8.467 1.00 0.06 H HETATM 1565 H THM A 207 25.044 49.219 -8.627 1.00 0.21 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1535 1536 1565 CONECT 1536 1535 1537 1563 1564 CONECT 1537 1536 1538 1541 1562 CONECT 1538 1537 1539 CONECT 1539 1538 1540 1547 1561 CONECT 1540 1539 1541 1545 1546 CONECT 1541 1537 1540 1542 1544 CONECT 1542 1541 1543 CONECT 1543 1542 CONECT 1544 1541 CONECT 1545 1540 CONECT 1546 1540 CONECT 1547 1539 1548 1558 CONECT 1548 1547 1549 1550 CONECT 1549 1548 CONECT 1550 1548 1551 1560 CONECT 1551 1550 1552 1553 CONECT 1552 1551 CONECT 1553 1551 1554 1558 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1547 1553 1559 CONECT 1559 1558 CONECT 1560 1550 CONECT 1561 1539 CONECT 1562 1537 CONECT 1563 1536 CONECT 1564 1536 CONECT 1565 1535 MASTER 0 0 0 0 0 0 0 0 1564 1 35 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4qsv
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6s57
RCSB PDB
PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
RCSB PDB
PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
RCSB PDB
PDBbind
130aa, >6S55_1|Chain... at 100%
4qsu
RCSB PDB
PDBbind
130aa, >4QSU_1|Chain... *
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
4tt2
RCSB PDB
PDBbind
130aa, >4TT2_1|Chain... at 100%
4tte
RCSB PDB
PDBbind
130aa, >4TTE_1|Chain... at 100%
4tu4
RCSB PDB
PDBbind
130aa, >4TU4_1|Chain... at 100%
4tyl
RCSB PDB
PDBbind
130aa, >4TYL_1|Chain... at 100%
4tz2
RCSB PDB
PDBbind
130aa, >4TZ2_1|Chain... at 100%
4tz8
RCSB PDB
PDBbind
130aa, >4TZ8_1|Chain... at 100%
5a5o
RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
5a5r
RCSB PDB
PDBbind
130aa, >5A5R_1|Chain... at 100%
5a81
RCSB PDB
PDBbind
130aa, >5A81_1|Chain... at 100%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
5lj0
RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1w2g
RCSB PDB
PDBbind
THM
Entry Information
PDB ID
4qsv
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
THM
EC.Number
E.C.3.6.1.3
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=10mM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Med.Chem.Comm. Vol. 5: pp. 1843-1848
Ligand Properties
Formula
C
1
0
H
1
4
N
2
O
5
Molecular Weight
242.229
Exact Mass
242.090
No. of atoms
31
No. of bonds
32
Polar Surface Area
104.55
LOGP Value
-0.95 (
Computed with XLOGP3
)
-1.51 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(=O)[nH]c1=O
InChI String
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/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):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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