Browse entries in the PDBbind-CN Database
HEADER 4QSX_COMPLEX COMPND 4QSX_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 UNN A 332 30 ATOM 1 N SER A 979 -12.659 45.404 3.031 1.00 65.44 N ATOM 2 CA SER A 979 -13.081 45.728 4.425 1.00 69.89 C ATOM 3 C SER A 979 -11.908 46.208 5.322 1.00 74.13 C ATOM 4 O SER A 979 -10.734 46.124 4.926 1.00 62.17 O ATOM 5 CB SER A 979 -13.798 44.518 5.051 1.00 72.19 C ATOM 6 OG SER A 979 -12.925 43.419 5.253 1.00 64.59 O ATOM 7 HG SER A 979 -13.429 42.668 5.656 1.00 0.00 H ATOM 8 HN3 SER A 979 -11.948 44.645 3.053 1.00 0.00 H ATOM 9 HN2 SER A 979 -12.250 46.251 2.588 1.00 0.00 H ATOM 10 HN1 SER A 979 -13.486 45.090 2.484 1.00 0.00 H ATOM 11 N MET A 980 -12.256 46.751 6.503 1.00 82.51 N ATOM 12 CA MET A 980 -11.277 47.097 7.561 1.00 84.43 C ATOM 13 C MET A 980 -10.418 45.881 7.921 1.00 73.43 C ATOM 14 O MET A 980 -9.209 46.015 8.067 1.00 68.36 O ATOM 15 CB MET A 980 -11.962 47.637 8.843 1.00 99.41 C ATOM 16 CG MET A 980 -11.916 49.157 9.045 1.00114.61 C ATOM 17 SD MET A 980 -10.372 49.807 9.762 1.00134.06 S ATOM 18 CE MET A 980 -10.485 49.383 11.499 1.00133.68 C ATOM 19 H MET A 980 -13.263 46.937 6.683 1.00 0.00 H ATOM 20 N GLN A 981 -11.039 44.703 8.061 1.00 66.01 N ATOM 21 CA GLN A 981 -10.279 43.496 8.375 1.00 61.70 C ATOM 22 C GLN A 981 -9.303 43.175 7.252 1.00 51.22 C ATOM 23 O GLN A 981 -8.159 42.769 7.539 1.00 46.98 O ATOM 24 CB GLN A 981 -11.149 42.252 8.631 1.00 66.82 C ATOM 25 CG GLN A 981 -12.137 42.346 9.785 1.00 75.82 C ATOM 26 CD GLN A 981 -13.419 43.063 9.389 1.00 82.32 C ATOM 27 OE1 GLN A 981 -13.613 43.422 8.222 1.00 79.00 O ATOM 28 NE2 GLN A 981 -14.293 43.292 10.362 1.00 91.02 N ATOM 29 HE22 GLN A 981 -14.089 42.972 11.330 1.00 0.00 H ATOM 30 HE21 GLN A 981 -15.182 43.791 10.156 1.00 0.00 H ATOM 31 H GLN A 981 -12.071 44.647 7.945 1.00 0.00 H ATOM 32 N GLU A 982 -9.749 43.307 5.991 1.00 43.24 N ATOM 33 CA GLU A 982 -8.840 43.022 4.871 1.00 37.85 C ATOM 34 C GLU A 982 -7.716 44.012 4.877 1.00 35.01 C ATOM 35 O GLU A 982 -6.594 43.628 4.614 1.00 34.27 O ATOM 36 CB GLU A 982 -9.532 43.002 3.520 1.00 37.05 C ATOM 37 CG GLU A 982 -10.335 41.715 3.308 1.00 38.71 C ATOM 38 CD GLU A 982 -11.310 41.787 2.116 1.00 40.90 C ATOM 39 OE1 GLU A 982 -11.334 42.837 1.416 1.00 41.04 O ATOM 40 OE2 GLU A 982 -12.059 40.800 1.903 1.00 39.79 O ATOM 41 H GLU A 982 -10.728 43.608 5.809 1.00 0.00 H ATOM 42 N GLU A 983 -8.005 45.275 5.165 1.00 35.33 N ATOM 43 CA GLU A 983 -6.920 46.247 5.234 1.00 40.41 C ATOM 44 C GLU A 983 -5.876 45.915 6.333 1.00 36.84 C ATOM 45 O GLU A 983 -4.694 46.189 6.145 1.00 37.11 O ATOM 46 CB GLU A 983 -7.420 47.677 5.333 1.00 48.42 C ATOM 47 CG GLU A 983 -8.023 48.245 4.017 1.00 57.20 C ATOM 48 CD GLU A 983 -7.289 47.766 2.732 1.00 63.16 C ATOM 49 OE1 GLU A 983 -6.046 47.993 2.599 1.00 66.03 O ATOM 50 OE2 GLU A 983 -7.959 47.142 1.854 1.00 63.22 O ATOM 51 H GLU A 983 -8.988 45.566 5.338 1.00 0.00 H ATOM 52 N ASP A 984 -6.333 45.369 7.456 1.00 33.67 N ATOM 53 CA ASP A 984 -5.427 44.926 8.528 1.00 34.60 C ATOM 54 C ASP A 984 -4.544 43.768 8.060 1.00 31.92 C ATOM 55 O ASP A 984 -3.365 43.684 8.418 1.00 32.28 O ATOM 56 CB ASP A 984 -6.177 44.462 9.762 1.00 36.06 C ATOM 57 CG ASP A 984 -6.865 45.614 10.530 1.00 42.40 C ATOM 58 OD1 ASP A 984 -6.592 46.819 10.348 1.00 45.28 O ATOM 59 OD2 ASP A 984 -7.737 45.255 11.321 1.00 47.43 O ATOM 60 H ASP A 984 -7.359 45.252 7.580 1.00 0.00 H ATOM 61 N THR A 985 -5.150 42.858 7.296 1.00 20.30 N ATOM 62 CA THR A 985 -4.397 41.806 6.646 1.00 19.99 C ATOM 63 C THR A 985 -3.254 42.354 5.818 1.00 19.56 C ATOM 64 O THR A 985 -2.107 41.939 5.990 1.00 19.07 O ATOM 65 CB THR A 985 -5.282 40.866 5.812 1.00 20.68 C ATOM 66 OG1 THR A 985 -6.255 40.296 6.671 1.00 21.70 O ATOM 67 CG2 THR A 985 -4.478 39.749 5.198 1.00 21.37 C ATOM 68 HG1 THR A 985 -6.836 39.686 6.151 1.00 0.00 H ATOM 69 H THR A 985 -6.181 42.905 7.165 1.00 0.00 H ATOM 70 N PHE A 986 -3.573 43.251 4.896 1.00 20.24 N ATOM 71 CA PHE A 986 -2.551 43.808 4.052 1.00 20.66 C ATOM 72 C PHE A 986 -1.521 44.611 4.817 1.00 19.98 C ATOM 73 O PHE A 986 -0.368 44.595 4.435 1.00 19.18 O ATOM 74 CB PHE A 986 -3.160 44.574 2.913 1.00 21.67 C ATOM 75 CG PHE A 986 -3.892 43.688 1.943 1.00 24.00 C ATOM 76 CD1 PHE A 986 -3.287 42.552 1.426 1.00 24.17 C ATOM 77 CD2 PHE A 986 -5.161 43.979 1.556 1.00 26.29 C ATOM 78 CE1 PHE A 986 -3.937 41.740 0.506 1.00 26.51 C ATOM 79 CE2 PHE A 986 -5.831 43.186 0.623 1.00 26.63 C ATOM 80 CZ PHE A 986 -5.228 42.062 0.108 1.00 27.75 C ATOM 81 H PHE A 986 -4.562 43.552 4.783 1.00 0.00 H ATOM 82 N ARG A 987 -1.928 45.301 5.888 1.00 20.59 N ATOM 83 CA ARG A 987 -0.988 46.073 6.688 1.00 20.93 C ATOM 84 C ARG A 987 -0.006 45.103 7.334 1.00 19.77 C ATOM 85 O ARG A 987 1.193 45.376 7.372 1.00 19.19 O ATOM 86 CB ARG A 987 -1.698 46.891 7.766 1.00 23.24 C ATOM 87 CG ARG A 987 -0.839 48.033 8.332 1.00 24.98 C ATOM 88 CD ARG A 987 -1.697 48.974 9.188 1.00 26.41 C ATOM 89 NE ARG A 987 -2.790 49.523 8.411 1.00 26.93 N ATOM 90 CZ ARG A 987 -4.075 49.224 8.600 1.00 27.62 C ATOM 91 NH1 ARG A 987 -4.453 48.348 9.528 1.00 28.68 N ATOM 92 NH2 ARG A 987 -4.977 49.770 7.826 1.00 26.50 N ATOM 93 HE ARG A 987 -2.556 50.196 7.654 1.00 0.00 H ATOM 94 HH12 ARG A 987 -5.462 48.130 9.657 1.00 0.00 H ATOM 95 HH11 ARG A 987 -3.740 47.881 10.124 1.00 0.00 H ATOM 96 HH22 ARG A 987 -5.983 49.546 7.962 1.00 0.00 H ATOM 97 HH21 ARG A 987 -4.688 50.428 7.075 1.00 0.00 H ATOM 98 H ARG A 987 -2.933 45.286 6.154 1.00 0.00 H ATOM 99 N GLU A 988 -0.515 43.986 7.835 1.00 18.24 N ATOM 100 CA GLU A 988 0.345 42.943 8.413 1.00 17.91 C ATOM 101 C GLU A 988 1.316 42.392 7.368 1.00 17.81 C ATOM 102 O GLU A 988 2.534 42.278 7.649 1.00 16.82 O ATOM 103 CB GLU A 988 -0.420 41.830 9.142 1.00 18.24 C ATOM 104 CG GLU A 988 0.489 40.691 9.573 1.00 18.28 C ATOM 105 CD GLU A 988 -0.106 39.824 10.635 1.00 19.56 C ATOM 106 OE1 GLU A 988 0.556 38.852 11.037 1.00 21.34 O ATOM 107 OE2 GLU A 988 -1.248 40.077 11.054 1.00 20.70 O ATOM 108 H GLU A 988 -1.545 43.844 7.819 1.00 0.00 H ATOM 109 N LEU A 989 0.813 42.109 6.161 1.00 17.54 N ATOM 110 CA LEU A 989 1.663 41.690 5.053 1.00 17.77 C ATOM 111 C LEU A 989 2.840 42.660 4.826 1.00 17.27 C ATOM 112 O LEU A 989 3.985 42.270 4.711 1.00 16.27 O ATOM 113 CB LEU A 989 0.849 41.551 3.745 1.00 18.18 C ATOM 114 CG LEU A 989 1.637 41.196 2.481 1.00 18.43 C ATOM 115 CD1 LEU A 989 2.290 39.824 2.602 1.00 19.82 C ATOM 116 CD2 LEU A 989 0.755 41.285 1.236 1.00 19.95 C ATOM 117 H LEU A 989 -0.213 42.190 6.009 1.00 0.00 H ATOM 118 N ARG A 990 2.540 43.943 4.722 1.00 17.16 N ATOM 119 CA ARG A 990 3.561 44.926 4.485 1.00 16.68 C ATOM 120 C ARG A 990 4.594 44.991 5.599 1.00 15.69 C ATOM 121 O ARG A 990 5.774 45.091 5.334 1.00 15.48 O ATOM 122 CB ARG A 990 2.903 46.309 4.189 1.00 17.47 C ATOM 123 CG ARG A 990 2.001 46.305 2.957 1.00 17.90 C ATOM 124 CD ARG A 990 1.616 47.767 2.585 1.00 18.99 C ATOM 125 NE ARG A 990 0.738 48.386 3.585 1.00 20.14 N ATOM 126 CZ ARG A 990 -0.599 48.271 3.609 1.00 20.69 C ATOM 127 NH1 ARG A 990 -1.303 48.878 4.548 1.00 21.72 N ATOM 128 NH2 ARG A 990 -1.231 47.530 2.716 1.00 22.31 N ATOM 129 HE ARG A 990 1.185 48.956 4.331 1.00 0.00 H ATOM 130 HH12 ARG A 990 -2.339 48.786 4.563 1.00 0.00 H ATOM 131 HH11 ARG A 990 -0.821 49.448 5.273 1.00 0.00 H ATOM 132 HH22 ARG A 990 -2.267 47.450 2.747 1.00 0.00 H ATOM 133 HH21 ARG A 990 -0.692 47.027 1.983 1.00 0.00 H ATOM 134 H ARG A 990 1.549 44.246 4.813 1.00 0.00 H ATOM 135 N ILE A 991 4.160 44.879 6.846 1.00 15.78 N ATOM 136 CA ILE A 991 5.069 44.797 7.963 1.00 15.84 C ATOM 137 C ILE A 991 6.011 43.587 7.865 1.00 15.53 C ATOM 138 O ILE A 991 7.265 43.711 8.015 1.00 15.06 O ATOM 139 CB ILE A 991 4.311 44.812 9.316 1.00 16.67 C ATOM 140 CG1 ILE A 991 3.598 46.170 9.497 1.00 18.44 C ATOM 141 CG2 ILE A 991 5.248 44.469 10.445 1.00 18.40 C ATOM 142 CD1 ILE A 991 2.535 46.162 10.560 1.00 18.86 C ATOM 143 H ILE A 991 3.136 44.849 7.024 1.00 0.00 H ATOM 144 N PHE A 992 5.439 42.445 7.526 1.00 15.44 N ATOM 145 CA PHE A 992 6.235 41.242 7.305 1.00 15.19 C ATOM 146 C PHE A 992 7.238 41.410 6.180 1.00 15.28 C ATOM 147 O PHE A 992 8.458 41.095 6.346 1.00 14.58 O ATOM 148 CB PHE A 992 5.301 40.049 7.074 1.00 16.39 C ATOM 149 CG PHE A 992 6.016 38.797 6.713 1.00 16.84 C ATOM 150 CD1 PHE A 992 6.677 38.040 7.690 1.00 17.68 C ATOM 151 CD2 PHE A 992 6.026 38.355 5.404 1.00 18.27 C ATOM 152 CE1 PHE A 992 7.406 36.913 7.339 1.00 17.86 C ATOM 153 CE2 PHE A 992 6.725 37.197 5.074 1.00 18.83 C ATOM 154 CZ PHE A 992 7.370 36.455 6.076 1.00 18.24 C ATOM 155 H PHE A 992 4.406 42.403 7.415 1.00 0.00 H ATOM 156 N LEU A 993 6.787 41.964 5.053 1.00 15.66 N ATOM 157 CA LEU A 993 7.678 42.156 3.931 1.00 15.98 C ATOM 158 C LEU A 993 8.796 43.171 4.143 1.00 16.14 C ATOM 159 O LEU A 993 9.924 42.970 3.639 1.00 14.71 O ATOM 160 CB LEU A 993 6.896 42.498 2.663 1.00 16.71 C ATOM 161 CG LEU A 993 5.865 41.470 2.192 1.00 16.95 C ATOM 162 CD1 LEU A 993 5.121 42.045 0.993 1.00 17.88 C ATOM 163 CD2 LEU A 993 6.482 40.140 1.891 1.00 16.92 C ATOM 164 H LEU A 993 5.792 42.258 4.982 1.00 0.00 H ATOM 165 N ARG A 994 8.500 44.259 4.860 1.00 16.17 N ATOM 166 CA ARG A 994 9.554 45.221 5.210 1.00 16.96 C ATOM 167 C ARG A 994 10.605 44.567 6.084 1.00 16.88 C ATOM 168 O ARG A 994 11.798 44.812 5.948 1.00 17.57 O ATOM 169 CB ARG A 994 9.013 46.459 5.928 1.00 18.16 C ATOM 170 CG ARG A 994 8.290 47.448 5.044 1.00 18.36 C ATOM 171 CD ARG A 994 7.947 48.721 5.839 1.00 19.15 C ATOM 172 NE ARG A 994 6.808 49.305 5.194 1.00 19.28 N ATOM 173 CZ ARG A 994 5.547 49.143 5.491 1.00 20.27 C ATOM 174 NH1 ARG A 994 5.159 48.560 6.626 1.00 20.91 N ATOM 175 NH2 ARG A 994 4.661 49.681 4.669 1.00 21.18 N ATOM 176 HE ARG A 994 7.011 49.935 4.391 1.00 0.00 H ATOM 177 HH12 ARG A 994 4.146 48.446 6.832 1.00 0.00 H ATOM 178 HH11 ARG A 994 5.869 48.219 7.305 1.00 0.00 H ATOM 179 HH22 ARG A 994 3.644 49.580 4.862 1.00 0.00 H ATOM 180 HH21 ARG A 994 4.981 50.205 3.830 1.00 0.00 H ATOM 181 H ARG A 994 7.522 44.425 5.171 1.00 0.00 H ATOM 182 N ASN A 995 10.171 43.730 7.007 1.00 17.00 N ATOM 183 CA ASN A 995 11.092 43.071 7.928 1.00 17.58 C ATOM 184 C ASN A 995 12.012 42.122 7.193 1.00 16.88 C ATOM 185 O ASN A 995 13.226 42.167 7.363 1.00 15.00 O ATOM 186 CB ASN A 995 10.335 42.373 9.037 1.00 19.63 C ATOM 187 CG ASN A 995 11.255 41.569 9.948 1.00 22.93 C ATOM 188 OD1 ASN A 995 11.416 40.409 9.741 1.00 21.13 O ATOM 189 ND2 ASN A 995 11.939 42.245 10.915 1.00 25.49 N ATOM 190 HD22 ASN A 995 11.766 43.260 11.061 1.00 0.00 H ATOM 191 HD21 ASN A 995 12.634 41.745 11.506 1.00 0.00 H ATOM 192 H ASN A 995 9.152 43.536 7.080 1.00 0.00 H ATOM 193 N VAL A 996 11.440 41.283 6.333 1.00 16.17 N ATOM 194 CA VAL A 996 12.250 40.381 5.502 1.00 16.25 C ATOM 195 C VAL A 996 13.241 41.184 4.646 1.00 15.74 C ATOM 196 O VAL A 996 14.450 40.827 4.554 1.00 16.08 O ATOM 197 CB VAL A 996 11.368 39.471 4.592 1.00 16.03 C ATOM 198 CG1 VAL A 996 12.214 38.635 3.648 1.00 16.77 C ATOM 199 CG2 VAL A 996 10.462 38.567 5.448 1.00 16.56 C ATOM 200 H VAL A 996 10.404 41.265 6.248 1.00 0.00 H ATOM 201 N THR A 997 12.746 42.232 4.020 1.00 16.71 N ATOM 202 CA THR A 997 13.534 43.000 3.060 1.00 16.74 C ATOM 203 C THR A 997 14.674 43.706 3.786 1.00 18.25 C ATOM 204 O THR A 997 15.805 43.686 3.295 1.00 17.57 O ATOM 205 CB THR A 997 12.662 43.986 2.307 1.00 17.39 C ATOM 206 OG1 THR A 997 11.579 43.274 1.689 1.00 17.04 O ATOM 207 CG2 THR A 997 13.510 44.746 1.246 1.00 18.33 C ATOM 208 HG1 THR A 997 11.044 42.819 2.387 1.00 0.00 H ATOM 209 H THR A 997 11.766 42.521 4.215 1.00 0.00 H ATOM 210 N HIS A 998 14.395 44.273 4.968 1.00 18.47 N ATOM 211 CA HIS A 998 15.442 44.864 5.817 1.00 20.12 C ATOM 212 C HIS A 998 16.549 43.882 6.200 1.00 18.51 C ATOM 213 O HIS A 998 17.759 44.202 6.133 1.00 18.56 O ATOM 214 CB HIS A 998 14.805 45.458 7.089 1.00 22.33 C ATOM 215 CG HIS A 998 15.794 46.061 8.043 1.00 27.18 C ATOM 216 ND1 HIS A 998 16.444 47.254 7.798 1.00 30.51 N ATOM 217 CD2 HIS A 998 16.259 45.628 9.237 1.00 32.06 C ATOM 218 CE1 HIS A 998 17.285 47.516 8.782 1.00 32.49 C ATOM 219 NE2 HIS A 998 17.178 46.554 9.680 1.00 34.09 N ATOM 220 H HIS A 998 13.408 44.296 5.295 1.00 0.00 H ATOM 221 N ARG A 999 16.169 42.658 6.542 1.00 17.76 N ATOM 222 CA ARG A 999 17.143 41.664 6.888 1.00 17.90 C ATOM 223 C ARG A 999 18.034 41.268 5.731 1.00 17.93 C ATOM 224 O ARG A 999 19.217 40.943 5.943 1.00 19.75 O ATOM 225 CB ARG A 999 16.463 40.456 7.505 1.00 18.63 C ATOM 226 CG ARG A 999 15.971 40.743 8.895 1.00 19.99 C ATOM 227 CD ARG A 999 14.738 39.899 9.209 1.00 19.50 C ATOM 228 NE ARG A 999 15.073 38.506 9.411 1.00 19.26 N ATOM 229 CZ ARG A 999 14.182 37.556 9.627 1.00 18.84 C ATOM 230 NH1 ARG A 999 12.912 37.862 9.668 1.00 18.30 N ATOM 231 NH2 ARG A 999 14.591 36.305 9.824 1.00 19.21 N ATOM 232 HE ARG A 999 16.077 38.237 9.384 1.00 0.00 H ATOM 233 HH12 ARG A 999 12.203 37.120 9.838 1.00 0.00 H ATOM 234 HH11 ARG A 999 12.610 38.848 9.531 1.00 0.00 H ATOM 235 HH22 ARG A 999 13.895 35.551 9.995 1.00 0.00 H ATOM 236 HH21 ARG A 999 15.606 36.081 9.807 1.00 0.00 H ATOM 237 H ARG A 999 15.157 42.417 6.559 1.00 0.00 H ATOM 238 N LEU A1000 17.502 41.313 4.523 1.00 17.31 N ATOM 239 CA LEU A1000 18.304 41.076 3.330 1.00 18.21 C ATOM 240 C LEU A1000 19.215 42.262 3.052 1.00 20.05 C ATOM 241 O LEU A1000 20.380 42.072 2.754 1.00 18.67 O ATOM 242 CB LEU A1000 17.430 40.837 2.098 1.00 17.90 C ATOM 243 CG LEU A1000 16.517 39.598 2.206 1.00 17.80 C ATOM 244 CD1 LEU A1000 15.608 39.598 1.002 1.00 17.93 C ATOM 245 CD2 LEU A1000 17.264 38.289 2.336 1.00 18.20 C ATOM 246 H LEU A1000 16.488 41.522 4.421 1.00 0.00 H ATOM 247 N ALA A1001 18.655 43.462 3.142 1.00 19.93 N ATOM 248 CA ALA A1001 19.385 44.670 2.824 1.00 21.85 C ATOM 249 C ALA A1001 20.573 44.943 3.739 1.00 23.45 C ATOM 250 O ALA A1001 21.498 45.584 3.300 1.00 24.35 O ATOM 251 CB ALA A1001 18.421 45.875 2.817 1.00 22.19 C ATOM 252 H ALA A1001 17.664 43.536 3.450 1.00 0.00 H ATOM 253 N ILE A1002 20.535 44.507 4.993 1.00 24.15 N ATOM 254 CA ILE A1002 21.614 44.752 5.875 1.00 26.63 C ATOM 255 C ILE A1002 22.690 43.696 5.769 1.00 27.13 C ATOM 256 O ILE A1002 23.718 43.837 6.410 1.00 27.23 O ATOM 257 CB ILE A1002 21.193 44.895 7.353 1.00 28.53 C ATOM 258 CG1 ILE A1002 20.717 43.555 7.929 1.00 29.23 C ATOM 259 CG2 ILE A1002 20.173 45.998 7.491 1.00 29.69 C ATOM 260 CD1 ILE A1002 20.033 43.670 9.278 1.00 30.81 C ATOM 261 H ILE A1002 19.704 43.980 5.330 1.00 0.00 H ATOM 262 N ASP A1003 22.481 42.656 4.967 1.00 24.45 N ATOM 263 CA ASP A1003 23.464 41.613 4.829 1.00 24.74 C ATOM 264 C ASP A1003 24.534 42.118 3.897 1.00 26.90 C ATOM 265 O ASP A1003 24.260 42.535 2.766 1.00 24.76 O ATOM 266 CB ASP A1003 22.827 40.341 4.273 1.00 24.80 C ATOM 267 CG ASP A1003 23.746 39.140 4.349 1.00 25.52 C ATOM 268 OD1 ASP A1003 24.893 39.188 3.857 1.00 25.16 O ATOM 269 OD2 ASP A1003 23.268 38.101 4.863 1.00 24.85 O ATOM 270 H ASP A1003 21.592 42.595 4.430 1.00 0.00 H ATOM 271 N LYS A1004 25.788 42.099 4.356 1.00 29.02 N ATOM 272 CA LYS A1004 26.902 42.617 3.539 1.00 28.95 C ATOM 273 C LYS A1004 27.025 41.936 2.168 1.00 27.18 C ATOM 274 O LYS A1004 27.402 42.557 1.202 1.00 26.88 O ATOM 275 CB LYS A1004 28.235 42.521 4.314 1.00 31.10 C ATOM 276 CG LYS A1004 28.427 43.634 5.337 1.00 33.71 C ATOM 277 CD LYS A1004 29.781 43.538 6.026 1.00 35.83 C ATOM 278 CE LYS A1004 30.825 43.088 5.015 1.00 37.12 C ATOM 279 NZ LYS A1004 32.214 43.184 5.513 1.00 38.88 N ATOM 280 HZ1 LYS A1004 32.425 44.172 5.759 1.00 0.00 H ATOM 281 HZ2 LYS A1004 32.321 42.585 6.357 1.00 0.00 H ATOM 282 HZ3 LYS A1004 32.869 42.862 4.773 1.00 0.00 H ATOM 283 H LYS A1004 25.982 41.714 5.302 1.00 0.00 H ATOM 284 N ARG A1005 26.678 40.662 2.072 1.00 26.92 N ATOM 285 CA ARG A1005 26.720 39.989 0.783 1.00 25.48 C ATOM 286 C ARG A1005 25.816 40.614 -0.252 1.00 25.55 C ATOM 287 O ARG A1005 26.085 40.483 -1.453 1.00 26.52 O ATOM 288 CB ARG A1005 26.309 38.547 0.920 1.00 25.44 C ATOM 289 CG ARG A1005 27.241 37.728 1.778 1.00 26.67 C ATOM 290 CD ARG A1005 26.610 36.376 1.945 1.00 27.07 C ATOM 291 NE ARG A1005 25.433 36.423 2.754 1.00 26.29 N ATOM 292 CZ ARG A1005 24.642 35.375 2.954 1.00 29.17 C ATOM 293 NH1 ARG A1005 24.919 34.212 2.386 1.00 31.65 N ATOM 294 NH2 ARG A1005 23.575 35.481 3.744 1.00 28.17 N ATOM 295 HE ARG A1005 25.183 37.324 3.209 1.00 0.00 H ATOM 296 HH12 ARG A1005 24.297 33.394 2.545 1.00 0.00 H ATOM 297 HH11 ARG A1005 25.759 34.116 1.780 1.00 0.00 H ATOM 298 HH22 ARG A1005 22.958 34.658 3.898 1.00 0.00 H ATOM 299 HH21 ARG A1005 23.359 36.387 4.207 1.00 0.00 H ATOM 300 H ARG A1005 26.375 40.141 2.920 1.00 0.00 H ATOM 301 N PHE A1006 24.750 41.299 0.191 1.00 23.12 N ATOM 302 CA PHE A1006 23.698 41.708 -0.716 1.00 22.59 C ATOM 303 C PHE A1006 23.725 43.181 -1.038 1.00 23.22 C ATOM 304 O PHE A1006 22.805 43.741 -1.670 1.00 23.49 O ATOM 305 CB PHE A1006 22.350 41.272 -0.158 1.00 21.25 C ATOM 306 CG PHE A1006 22.269 39.826 0.151 1.00 21.96 C ATOM 307 CD1 PHE A1006 22.935 38.857 -0.618 1.00 22.27 C ATOM 308 CD2 PHE A1006 21.489 39.397 1.203 1.00 20.54 C ATOM 309 CE1 PHE A1006 22.836 37.529 -0.285 1.00 22.49 C ATOM 310 CE2 PHE A1006 21.395 38.080 1.525 1.00 20.61 C ATOM 311 CZ PHE A1006 22.078 37.134 0.798 1.00 22.37 C ATOM 312 H PHE A1006 24.679 41.539 1.200 1.00 0.00 H ATOM 313 N ARG A1007 24.822 43.830 -0.684 1.00 25.26 N ATOM 314 CA ARG A1007 24.932 45.267 -0.829 1.00 27.77 C ATOM 315 C ARG A1007 24.705 45.697 -2.241 1.00 26.29 C ATOM 316 O ARG A1007 24.071 46.737 -2.508 1.00 26.50 O ATOM 317 CB ARG A1007 26.316 45.748 -0.371 1.00 32.08 C ATOM 318 CG ARG A1007 26.589 47.192 -0.670 1.00 39.82 C ATOM 319 CD ARG A1007 27.943 47.571 -0.049 1.00 50.02 C ATOM 320 NE ARG A1007 28.128 49.017 0.020 1.00 61.08 N ATOM 321 CZ ARG A1007 27.421 49.833 0.807 1.00 70.22 C ATOM 322 NH1 ARG A1007 27.666 51.142 0.783 1.00 77.84 N ATOM 323 NH2 ARG A1007 26.465 49.360 1.614 1.00 71.29 N ATOM 324 HE ARG A1007 28.860 49.441 -0.585 1.00 0.00 H ATOM 325 HH12 ARG A1007 27.120 51.784 1.392 1.00 0.00 H ATOM 326 HH11 ARG A1007 28.403 51.522 0.155 1.00 0.00 H ATOM 327 HH22 ARG A1007 25.926 50.012 2.219 1.00 0.00 H ATOM 328 HH21 ARG A1007 26.261 48.340 1.636 1.00 0.00 H ATOM 329 H ARG A1007 25.624 43.296 -0.293 1.00 0.00 H ATOM 330 N VAL A1008 25.210 44.894 -3.153 1.00 26.22 N ATOM 331 CA VAL A1008 25.098 45.208 -4.546 1.00 27.93 C ATOM 332 C VAL A1008 23.638 45.208 -5.038 1.00 27.22 C ATOM 333 O VAL A1008 23.320 45.860 -6.030 1.00 28.47 O ATOM 334 CB VAL A1008 25.925 44.207 -5.384 1.00 30.19 C ATOM 335 CG1 VAL A1008 25.332 42.815 -5.380 1.00 29.71 C ATOM 336 CG2 VAL A1008 26.101 44.721 -6.795 1.00 34.15 C ATOM 337 H VAL A1008 25.695 44.022 -2.859 1.00 0.00 H ATOM 338 N PHE A1009 22.764 44.498 -4.337 1.00 25.41 N ATOM 339 CA PHE A1009 21.340 44.480 -4.698 1.00 24.86 C ATOM 340 C PHE A1009 20.514 45.554 -3.989 1.00 25.44 C ATOM 341 O PHE A1009 19.281 45.563 -4.128 1.00 23.98 O ATOM 342 CB PHE A1009 20.774 43.082 -4.410 1.00 24.10 C ATOM 343 CG PHE A1009 21.554 41.974 -5.061 1.00 23.61 C ATOM 344 CD1 PHE A1009 21.758 41.981 -6.440 1.00 24.79 C ATOM 345 CD2 PHE A1009 22.148 40.996 -4.302 1.00 24.21 C ATOM 346 CE1 PHE A1009 22.543 41.008 -7.052 1.00 25.02 C ATOM 347 CE2 PHE A1009 22.943 40.010 -4.898 1.00 24.43 C ATOM 348 CZ PHE A1009 23.126 40.011 -6.270 1.00 24.40 C ATOM 349 H PHE A1009 23.092 43.946 -3.519 1.00 0.00 H ATOM 350 N THR A1010 21.152 46.435 -3.206 1.00 26.53 N ATOM 351 CA THR A1010 20.399 47.331 -2.364 1.00 27.36 C ATOM 352 C THR A1010 19.942 48.591 -3.059 1.00 31.43 C ATOM 353 O THR A1010 18.992 49.213 -2.588 1.00 33.61 O ATOM 354 CB THR A1010 21.093 47.719 -1.058 1.00 27.06 C ATOM 355 OG1 THR A1010 22.368 48.336 -1.305 1.00 27.76 O ATOM 356 CG2 THR A1010 21.238 46.530 -0.215 1.00 26.11 C ATOM 357 HG1 THR A1010 22.950 47.703 -1.795 1.00 0.00 H ATOM 358 H THR A1010 22.191 46.472 -3.206 1.00 0.00 H ATOM 359 N LYS A1011 20.539 48.906 -4.197 1.00 32.94 N ATOM 360 CA LYS A1011 20.220 50.119 -4.944 1.00 38.00 C ATOM 361 C LYS A1011 20.183 49.795 -6.399 1.00 36.16 C ATOM 362 O LYS A1011 20.818 48.823 -6.833 1.00 31.96 O ATOM 363 CB LYS A1011 21.295 51.188 -4.763 1.00 43.95 C ATOM 364 CG LYS A1011 21.453 51.719 -3.355 1.00 51.85 C ATOM 365 CD LYS A1011 20.240 52.510 -2.871 1.00 59.73 C ATOM 366 CE LYS A1011 20.173 52.556 -1.344 1.00 62.87 C ATOM 367 NZ LYS A1011 18.872 53.116 -0.865 1.00 68.30 N ATOM 368 HZ1 LYS A1011 18.758 54.084 -1.228 1.00 0.00 H ATOM 369 HZ2 LYS A1011 18.092 52.521 -1.210 1.00 0.00 H ATOM 370 HZ3 LYS A1011 18.864 53.131 0.175 1.00 0.00 H ATOM 371 H LYS A1011 21.265 48.264 -4.574 1.00 0.00 H ATOM 372 N PRO A1012 19.455 50.608 -7.169 1.00 36.89 N ATOM 373 CA PRO A1012 19.496 50.449 -8.613 1.00 42.00 C ATOM 374 C PRO A1012 20.893 50.694 -9.189 1.00 43.85 C ATOM 375 O PRO A1012 21.714 51.337 -8.557 1.00 43.22 O ATOM 376 CB PRO A1012 18.496 51.519 -9.145 1.00 42.04 C ATOM 377 CG PRO A1012 17.850 52.128 -7.959 1.00 41.29 C ATOM 378 CD PRO A1012 18.658 51.777 -6.746 1.00 39.39 C ATOM 379 N VAL A1013 21.161 50.146 -10.363 1.00 51.50 N ATOM 380 CA VAL A1013 22.481 50.313 -11.028 1.00 56.61 C ATOM 381 C VAL A1013 22.568 51.695 -11.678 1.00 62.21 C ATOM 382 O VAL A1013 21.698 52.055 -12.475 1.00 61.96 O ATOM 383 CB VAL A1013 22.715 49.235 -12.114 1.00 56.09 C ATOM 384 CG1 VAL A1013 24.083 49.396 -12.770 1.00 58.77 C ATOM 385 CG2 VAL A1013 22.584 47.841 -11.525 1.00 54.46 C ATOM 386 H VAL A1013 20.426 49.581 -10.835 1.00 0.00 H ATOM 387 N ASP A1014 23.621 52.445 -11.345 1.00 72.16 N ATOM 388 CA ASP A1014 23.816 53.849 -11.798 1.00 80.47 C ATOM 389 C ASP A1014 23.647 54.097 -13.318 1.00 83.47 C ATOM 390 O ASP A1014 24.347 53.486 -14.131 1.00 75.99 O ATOM 391 CB ASP A1014 25.191 54.342 -11.363 1.00 82.29 C ATOM 392 CG ASP A1014 25.344 55.843 -11.519 1.00 89.93 C ATOM 393 OD1 ASP A1014 25.542 56.326 -12.660 1.00 90.49 O ATOM 394 OD2 ASP A1014 25.259 56.538 -10.488 1.00 93.11 O ATOM 395 H ASP A1014 24.348 52.023 -10.733 1.00 0.00 H ATOM 396 N PRO A1015 22.743 55.027 -13.694 1.00 95.67 N ATOM 397 CA PRO A1015 22.315 55.137 -15.100 1.00101.81 C ATOM 398 C PRO A1015 23.492 55.241 -16.072 1.00107.14 C ATOM 399 O PRO A1015 23.587 54.470 -17.033 1.00106.34 O ATOM 400 CB PRO A1015 21.452 56.416 -15.122 1.00105.00 C ATOM 401 CG PRO A1015 21.726 57.129 -13.835 1.00105.05 C ATOM 402 CD PRO A1015 22.145 56.083 -12.849 1.00101.10 C ATOM 403 N ASP A1016 24.391 56.177 -15.800 1.00109.66 N ATOM 404 CA ASP A1016 25.562 56.363 -16.644 1.00112.26 C ATOM 405 C ASP A1016 26.651 55.332 -16.337 1.00107.83 C ATOM 406 O ASP A1016 27.227 54.757 -17.260 1.00107.65 O ATOM 407 CB ASP A1016 26.111 57.799 -16.542 1.00113.76 C ATOM 408 CG ASP A1016 26.391 58.233 -15.109 1.00112.66 C ATOM 409 OD1 ASP A1016 27.280 57.643 -14.449 1.00113.02 O ATOM 410 OD2 ASP A1016 25.720 59.179 -14.650 1.00109.44 O ATOM 411 H ASP A1016 24.257 56.789 -14.970 1.00 0.00 H ATOM 412 N GLU A1017 26.921 55.089 -15.056 1.00 98.66 N ATOM 413 CA GLU A1017 28.114 54.319 -14.673 1.00 95.80 C ATOM 414 C GLU A1017 28.088 52.848 -15.129 1.00 91.05 C ATOM 415 O GLU A1017 29.138 52.199 -15.154 1.00 95.67 O ATOM 416 CB GLU A1017 28.382 54.432 -13.164 1.00 95.91 C ATOM 417 CG GLU A1017 28.938 53.173 -12.510 1.00 95.50 C ATOM 418 CD GLU A1017 28.900 53.213 -10.997 1.00 99.14 C ATOM 419 OE1 GLU A1017 28.159 54.041 -10.425 1.00103.52 O ATOM 420 OE2 GLU A1017 29.600 52.387 -10.378 1.00100.48 O ATOM 421 H GLU A1017 26.281 55.448 -14.318 1.00 0.00 H ATOM 422 N VAL A1018 26.908 52.323 -15.470 1.00 81.11 N ATOM 423 CA VAL A1018 26.805 51.028 -16.164 1.00 73.35 C ATOM 424 C VAL A1018 25.790 51.187 -17.300 1.00 70.43 C ATOM 425 O VAL A1018 24.672 50.670 -17.221 1.00 65.52 O ATOM 426 CB VAL A1018 26.384 49.881 -15.218 1.00 72.21 C ATOM 427 CG1 VAL A1018 26.528 48.525 -15.894 1.00 70.01 C ATOM 428 CG2 VAL A1018 27.210 49.898 -13.938 1.00 73.99 C ATOM 429 H VAL A1018 26.038 52.843 -15.239 1.00 0.00 H ATOM 430 N PRO A1019 26.187 51.897 -18.379 1.00 70.28 N ATOM 431 CA PRO A1019 25.229 52.406 -19.368 1.00 66.79 C ATOM 432 C PRO A1019 24.509 51.301 -20.145 1.00 63.57 C ATOM 433 O PRO A1019 23.358 51.468 -20.550 1.00 64.51 O ATOM 434 CB PRO A1019 26.102 53.291 -20.304 1.00 74.00 C ATOM 435 CG PRO A1019 27.517 52.824 -20.110 1.00 74.34 C ATOM 436 CD PRO A1019 27.590 51.980 -18.849 1.00 71.94 C ATOM 437 N ASP A1020 25.169 50.163 -20.321 1.00 62.64 N ATOM 438 CA ASP A1020 24.552 49.014 -20.999 1.00 64.08 C ATOM 439 C ASP A1020 23.540 48.205 -20.145 1.00 61.51 C ATOM 440 O ASP A1020 22.855 47.318 -20.685 1.00 63.91 O ATOM 441 CB ASP A1020 25.646 48.085 -21.550 1.00 66.27 C ATOM 442 CG ASP A1020 26.559 47.538 -20.462 1.00 66.18 C ATOM 443 OD1 ASP A1020 27.569 48.205 -20.111 1.00 74.41 O ATOM 444 OD2 ASP A1020 26.288 46.423 -19.990 1.00 63.57 O ATOM 445 H ASP A1020 26.145 50.082 -19.971 1.00 0.00 H ATOM 446 N TYR A1021 23.418 48.508 -18.844 1.00 57.28 N ATOM 447 CA TYR A1021 22.572 47.682 -17.950 1.00 53.22 C ATOM 448 C TYR A1021 21.118 47.727 -18.411 1.00 57.42 C ATOM 449 O TYR A1021 20.520 46.691 -18.734 1.00 53.71 O ATOM 450 CB TYR A1021 22.675 48.134 -16.471 1.00 50.48 C ATOM 451 CG TYR A1021 22.024 47.160 -15.513 1.00 44.82 C ATOM 452 CD1 TYR A1021 20.741 47.397 -14.993 1.00 43.48 C ATOM 453 CD2 TYR A1021 22.664 45.971 -15.164 1.00 42.60 C ATOM 454 CE1 TYR A1021 20.142 46.489 -14.134 1.00 40.85 C ATOM 455 CE2 TYR A1021 22.068 45.051 -14.310 1.00 41.04 C ATOM 456 CZ TYR A1021 20.805 45.308 -13.806 1.00 39.05 C ATOM 457 OH TYR A1021 20.216 44.406 -12.981 1.00 36.23 O ATOM 458 HH TYR A1021 19.323 44.740 -12.713 1.00 0.00 H ATOM 459 H TYR A1021 23.923 49.332 -18.458 1.00 0.00 H ATOM 460 N VAL A1022 20.570 48.944 -18.459 1.00 62.33 N ATOM 461 CA VAL A1022 19.181 49.159 -18.880 1.00 68.85 C ATOM 462 C VAL A1022 18.856 48.656 -20.305 1.00 70.31 C ATOM 463 O VAL A1022 17.686 48.480 -20.625 1.00 76.07 O ATOM 464 CB VAL A1022 18.737 50.633 -18.701 1.00 70.89 C ATOM 465 CG1 VAL A1022 18.718 51.001 -17.215 1.00 71.81 C ATOM 466 CG2 VAL A1022 19.630 51.578 -19.498 1.00 76.88 C ATOM 467 H VAL A1022 21.147 49.766 -18.189 1.00 0.00 H ATOM 468 N THR A1023 19.864 48.363 -21.127 1.00 69.49 N ATOM 469 CA THR A1023 19.610 47.780 -22.455 1.00 72.54 C ATOM 470 C THR A1023 19.630 46.235 -22.475 1.00 71.54 C ATOM 471 O THR A1023 18.977 45.604 -23.318 1.00 73.89 O ATOM 472 CB THR A1023 20.534 48.396 -23.554 1.00 73.86 C ATOM 473 OG1 THR A1023 21.790 47.699 -23.645 1.00 69.27 O ATOM 474 CG2 THR A1023 20.756 49.912 -23.279 1.00 74.72 C ATOM 475 HG1 THR A1023 22.260 47.753 -22.775 1.00 0.00 H ATOM 476 H THR A1023 20.842 48.549 -20.826 1.00 0.00 H ATOM 477 N VAL A1024 20.359 45.621 -21.548 1.00 64.24 N ATOM 478 CA VAL A1024 20.288 44.165 -21.391 1.00 60.40 C ATOM 479 C VAL A1024 19.150 43.796 -20.444 1.00 52.77 C ATOM 480 O VAL A1024 18.495 42.771 -20.625 1.00 51.13 O ATOM 481 CB VAL A1024 21.620 43.569 -20.857 1.00 61.00 C ATOM 482 CG1 VAL A1024 21.506 42.053 -20.694 1.00 60.57 C ATOM 483 CG2 VAL A1024 22.781 43.942 -21.782 1.00 65.97 C ATOM 484 H VAL A1024 20.984 46.177 -20.930 1.00 0.00 H ATOM 485 N ILE A1025 18.956 44.622 -19.415 1.00 46.18 N ATOM 486 CA ILE A1025 18.007 44.315 -18.320 1.00 41.26 C ATOM 487 C ILE A1025 16.784 45.233 -18.412 1.00 43.70 C ATOM 488 O ILE A1025 16.847 46.414 -18.048 1.00 44.84 O ATOM 489 CB ILE A1025 18.676 44.453 -16.930 1.00 37.47 C ATOM 490 CG1 ILE A1025 19.836 43.450 -16.809 1.00 37.89 C ATOM 491 CG2 ILE A1025 17.661 44.293 -15.811 1.00 34.63 C ATOM 492 CD1 ILE A1025 19.431 41.999 -17.024 1.00 37.33 C ATOM 493 H ILE A1025 19.490 45.514 -19.380 1.00 0.00 H ATOM 494 N LYS A1026 15.684 44.658 -18.860 1.00 44.56 N ATOM 495 CA LYS A1026 14.458 45.419 -19.175 1.00 47.45 C ATOM 496 C LYS A1026 13.595 45.720 -17.981 1.00 46.19 C ATOM 497 O LYS A1026 12.698 46.589 -18.041 1.00 48.32 O ATOM 498 CB LYS A1026 13.616 44.617 -20.159 1.00 49.42 C ATOM 499 CG LYS A1026 14.362 44.313 -21.435 1.00 53.84 C ATOM 500 CD LYS A1026 15.121 45.538 -21.925 1.00 55.92 C ATOM 501 CE LYS A1026 15.584 45.346 -23.327 1.00 59.34 C ATOM 502 NZ LYS A1026 16.322 46.546 -23.801 1.00 62.30 N ATOM 503 HZ1 LYS A1026 15.695 47.375 -23.762 1.00 0.00 H ATOM 504 HZ2 LYS A1026 17.149 46.707 -23.191 1.00 0.00 H ATOM 505 HZ3 LYS A1026 16.637 46.393 -24.780 1.00 0.00 H ATOM 506 H LYS A1026 15.680 43.627 -18.997 1.00 0.00 H ATOM 507 N GLN A1027 13.803 44.970 -16.908 1.00 43.08 N ATOM 508 CA GLN A1027 13.022 45.178 -15.718 1.00 40.59 C ATOM 509 C GLN A1027 13.941 45.159 -14.495 1.00 38.73 C ATOM 510 O GLN A1027 13.955 44.208 -13.726 1.00 36.75 O ATOM 511 CB GLN A1027 11.915 44.135 -15.643 1.00 41.89 C ATOM 512 CG GLN A1027 10.848 44.537 -14.678 1.00 42.71 C ATOM 513 CD GLN A1027 9.644 43.611 -14.692 1.00 44.58 C ATOM 514 OE1 GLN A1027 9.605 42.561 -15.360 1.00 48.20 O ATOM 515 NE2 GLN A1027 8.654 44.001 -13.934 1.00 43.74 N ATOM 516 HE22 GLN A1027 8.731 44.886 -13.393 1.00 0.00 H ATOM 517 HE21 GLN A1027 7.789 43.426 -13.871 1.00 0.00 H ATOM 518 H GLN A1027 14.533 44.229 -16.927 1.00 0.00 H ATOM 519 N PRO A1028 14.682 46.248 -14.304 1.00 36.67 N ATOM 520 CA PRO A1028 15.599 46.333 -13.208 1.00 35.01 C ATOM 521 C PRO A1028 14.873 46.233 -11.880 1.00 33.47 C ATOM 522 O PRO A1028 13.756 46.715 -11.732 1.00 31.61 O ATOM 523 CB PRO A1028 16.259 47.725 -13.388 1.00 36.98 C ATOM 524 CG PRO A1028 15.844 48.218 -14.759 1.00 37.85 C ATOM 525 CD PRO A1028 14.558 47.525 -15.028 1.00 38.19 C ATOM 526 N MET A1029 15.476 45.560 -10.911 1.00 29.15 N ATOM 527 CA MET A1029 14.848 45.446 -9.611 1.00 27.92 C ATOM 528 C MET A1029 15.946 45.387 -8.559 1.00 27.46 C ATOM 529 O MET A1029 17.032 44.901 -8.844 1.00 24.21 O ATOM 530 CB MET A1029 13.955 44.209 -9.560 1.00 27.28 C ATOM 531 CG MET A1029 13.036 44.143 -8.335 1.00 26.95 C ATOM 532 SD MET A1029 12.027 45.589 -7.900 1.00 29.43 S ATOM 533 CE MET A1029 11.132 45.651 -9.443 1.00 30.26 C ATOM 534 H MET A1029 16.399 45.114 -11.084 1.00 0.00 H ATOM 535 N ASP A1030 15.656 45.915 -7.380 1.00 26.59 N ATOM 536 CA ASP A1030 16.642 45.983 -6.284 1.00 27.52 C ATOM 537 C ASP A1030 15.851 46.151 -5.001 1.00 26.11 C ATOM 538 O ASP A1030 14.652 46.408 -5.055 1.00 26.64 O ATOM 539 CB ASP A1030 17.573 47.195 -6.481 1.00 29.07 C ATOM 540 CG ASP A1030 16.832 48.503 -6.340 1.00 30.45 C ATOM 541 OD1 ASP A1030 16.243 49.026 -7.311 1.00 33.67 O ATOM 542 OD2 ASP A1030 16.817 49.045 -5.248 1.00 33.47 O ATOM 543 H ASP A1030 14.701 46.295 -7.221 1.00 0.00 H ATOM 544 N LEU A1031 16.510 46.036 -3.855 1.00 23.57 N ATOM 545 CA LEU A1031 15.789 46.010 -2.576 1.00 23.29 C ATOM 546 C LEU A1031 15.209 47.358 -2.184 1.00 24.06 C ATOM 547 O LEU A1031 14.193 47.408 -1.498 1.00 23.55 O ATOM 548 CB LEU A1031 16.658 45.460 -1.441 1.00 22.49 C ATOM 549 CG LEU A1031 17.270 44.079 -1.686 1.00 22.22 C ATOM 550 CD1 LEU A1031 18.333 43.753 -0.647 1.00 21.70 C ATOM 551 CD2 LEU A1031 16.162 43.026 -1.716 1.00 21.20 C ATOM 552 H LEU A1031 17.547 45.964 -3.863 1.00 0.00 H ATOM 553 N SER A1032 15.817 48.466 -2.623 1.00 26.68 N ATOM 554 CA SER A1032 15.215 49.747 -2.313 1.00 28.43 C ATOM 555 C SER A1032 13.904 49.902 -3.105 1.00 26.90 C ATOM 556 O SER A1032 12.925 50.417 -2.594 1.00 27.42 O ATOM 557 CB SER A1032 16.213 50.898 -2.547 1.00 32.10 C ATOM 558 OG SER A1032 16.437 51.010 -3.932 1.00 36.24 O ATOM 559 HG SER A1032 16.811 50.160 -4.274 1.00 0.00 H ATOM 560 H SER A1032 16.698 48.409 -3.172 1.00 0.00 H ATOM 561 N SER A1033 13.896 49.461 -4.361 1.00 26.55 N ATOM 562 CA SER A1033 12.682 49.459 -5.176 1.00 27.20 C ATOM 563 C SER A1033 11.608 48.533 -4.615 1.00 24.46 C ATOM 564 O SER A1033 10.419 48.887 -4.641 1.00 24.12 O ATOM 565 CB SER A1033 13.016 49.124 -6.602 1.00 29.09 C ATOM 566 OG SER A1033 13.925 50.123 -7.073 1.00 32.54 O ATOM 567 HG SER A1033 14.742 50.115 -6.513 1.00 0.00 H ATOM 568 H SER A1033 14.781 49.107 -4.776 1.00 0.00 H ATOM 569 N VAL A1034 12.031 47.407 -4.057 1.00 22.39 N ATOM 570 CA VAL A1034 11.106 46.527 -3.318 1.00 21.56 C ATOM 571 C VAL A1034 10.459 47.268 -2.154 1.00 21.80 C ATOM 572 O VAL A1034 9.233 47.187 -1.976 1.00 20.00 O ATOM 573 CB VAL A1034 11.769 45.220 -2.894 1.00 20.19 C ATOM 574 CG1 VAL A1034 10.918 44.377 -1.956 1.00 19.48 C ATOM 575 CG2 VAL A1034 12.112 44.391 -4.139 1.00 21.51 C ATOM 576 H VAL A1034 13.032 47.140 -4.142 1.00 0.00 H ATOM 577 N ILE A1035 11.258 47.961 -1.345 1.00 22.15 N ATOM 578 CA ILE A1035 10.732 48.745 -0.218 1.00 22.58 C ATOM 579 C ILE A1035 9.706 49.760 -0.701 1.00 22.67 C ATOM 580 O ILE A1035 8.648 49.890 -0.133 1.00 22.56 O ATOM 581 CB ILE A1035 11.846 49.517 0.526 1.00 23.99 C ATOM 582 CG1 ILE A1035 12.590 48.611 1.528 1.00 23.38 C ATOM 583 CG2 ILE A1035 11.296 50.773 1.229 1.00 24.55 C ATOM 584 CD1 ILE A1035 11.726 47.858 2.528 1.00 23.39 C ATOM 585 H ILE A1035 12.284 47.947 -1.515 1.00 0.00 H ATOM 586 N SER A1036 10.039 50.515 -1.758 1.00 23.86 N ATOM 587 CA SER A1036 9.084 51.493 -2.281 1.00 24.46 C ATOM 588 C SER A1036 7.780 50.814 -2.729 1.00 22.82 C ATOM 589 O SER A1036 6.716 51.325 -2.459 1.00 22.25 O ATOM 590 CB SER A1036 9.624 52.250 -3.483 1.00 27.48 C ATOM 591 OG SER A1036 10.839 52.869 -3.142 1.00 33.16 O ATOM 592 HG SER A1036 11.189 53.361 -3.926 1.00 0.00 H ATOM 593 H SER A1036 10.972 50.406 -2.204 1.00 0.00 H ATOM 594 N LYS A1037 7.881 49.683 -3.440 1.00 21.71 N ATOM 595 CA LYS A1037 6.704 48.948 -3.839 1.00 21.48 C ATOM 596 C LYS A1037 5.866 48.451 -2.668 1.00 20.68 C ATOM 597 O LYS A1037 4.633 48.524 -2.681 1.00 19.96 O ATOM 598 CB LYS A1037 7.066 47.818 -4.780 1.00 21.32 C ATOM 599 CG LYS A1037 7.512 48.355 -6.119 1.00 23.13 C ATOM 600 CD LYS A1037 7.866 47.239 -7.095 1.00 23.16 C ATOM 601 CE LYS A1037 6.619 46.469 -7.497 1.00 23.13 C ATOM 602 NZ LYS A1037 6.828 45.522 -8.613 1.00 23.66 N ATOM 603 HZ1 LYS A1037 7.150 46.044 -9.453 1.00 0.00 H ATOM 604 HZ2 LYS A1037 7.547 44.821 -8.341 1.00 0.00 H ATOM 605 HZ3 LYS A1037 5.933 45.037 -8.827 1.00 0.00 H ATOM 606 H LYS A1037 8.821 49.329 -3.709 1.00 0.00 H ATOM 607 N ILE A1038 6.513 47.974 -1.619 1.00 20.27 N ATOM 608 CA ILE A1038 5.755 47.634 -0.440 1.00 19.81 C ATOM 609 C ILE A1038 4.923 48.796 0.048 1.00 20.37 C ATOM 610 O ILE A1038 3.697 48.657 0.291 1.00 21.09 O ATOM 611 CB ILE A1038 6.669 47.147 0.696 1.00 19.73 C ATOM 612 CG1 ILE A1038 7.309 45.803 0.327 1.00 19.07 C ATOM 613 CG2 ILE A1038 5.883 47.064 1.996 1.00 19.69 C ATOM 614 CD1 ILE A1038 8.486 45.465 1.225 1.00 19.37 C ATOM 615 H ILE A1038 7.545 47.847 -1.643 1.00 0.00 H ATOM 616 N ASP A1039 5.592 49.939 0.212 1.00 22.52 N ATOM 617 CA ASP A1039 4.967 51.159 0.735 1.00 23.81 C ATOM 618 C ASP A1039 3.890 51.708 -0.194 1.00 23.88 C ATOM 619 O ASP A1039 2.940 52.304 0.272 1.00 24.35 O ATOM 620 CB ASP A1039 6.034 52.215 1.029 1.00 25.09 C ATOM 621 CG ASP A1039 6.910 51.842 2.218 1.00 25.54 C ATOM 622 OD1 ASP A1039 6.558 50.910 2.946 1.00 25.48 O ATOM 623 OD2 ASP A1039 7.958 52.477 2.409 1.00 25.96 O ATOM 624 H ASP A1039 6.600 49.966 -0.042 1.00 0.00 H ATOM 625 N LEU A1040 3.994 51.436 -1.494 1.00 24.25 N ATOM 626 CA LEU A1040 2.972 51.853 -2.468 1.00 25.16 C ATOM 627 C LEU A1040 1.850 50.831 -2.542 1.00 24.98 C ATOM 628 O LEU A1040 0.959 50.953 -3.347 1.00 26.17 O ATOM 629 CB LEU A1040 3.589 52.040 -3.830 1.00 25.79 C ATOM 630 CG LEU A1040 4.437 53.319 -3.983 1.00 27.79 C ATOM 631 CD1 LEU A1040 5.276 53.249 -5.238 1.00 28.33 C ATOM 632 CD2 LEU A1040 3.546 54.549 -4.002 1.00 29.66 C ATOM 633 H LEU A1040 4.826 50.911 -1.832 1.00 0.00 H ATOM 634 N HIS A1041 1.849 49.837 -1.659 1.00 23.40 N ATOM 635 CA HIS A1041 0.836 48.809 -1.625 1.00 23.19 C ATOM 636 C HIS A1041 0.764 47.975 -2.912 1.00 25.52 C ATOM 637 O HIS A1041 -0.300 47.539 -3.322 1.00 26.41 O ATOM 638 CB HIS A1041 -0.567 49.403 -1.296 1.00 25.15 C ATOM 639 CG HIS A1041 -0.639 50.120 0.005 1.00 24.68 C ATOM 640 ND1 HIS A1041 -1.830 50.420 0.610 1.00 27.19 N ATOM 641 CD2 HIS A1041 0.324 50.529 0.862 1.00 24.92 C ATOM 642 CE1 HIS A1041 -1.605 51.049 1.747 1.00 25.23 C ATOM 643 NE2 HIS A1041 -0.306 51.131 1.919 1.00 25.69 N ATOM 644 H HIS A1041 2.616 49.798 -0.958 1.00 0.00 H ATOM 645 N LYS A1042 1.896 47.725 -3.538 1.00 25.13 N ATOM 646 CA LYS A1042 1.932 46.974 -4.757 1.00 25.90 C ATOM 647 C LYS A1042 1.919 45.503 -4.538 1.00 24.58 C ATOM 648 O LYS A1042 1.693 44.803 -5.470 1.00 23.22 O ATOM 649 CB LYS A1042 3.191 47.282 -5.561 1.00 27.34 C ATOM 650 CG LYS A1042 3.382 48.736 -5.941 1.00 31.76 C ATOM 651 CD LYS A1042 2.334 49.174 -6.908 1.00 35.82 C ATOM 652 CE LYS A1042 2.783 50.453 -7.608 1.00 40.93 C ATOM 653 NZ LYS A1042 1.601 51.056 -8.235 1.00 41.99 N ATOM 654 HZ1 LYS A1042 1.197 50.389 -8.923 1.00 0.00 H ATOM 655 HZ2 LYS A1042 0.894 51.272 -7.503 1.00 0.00 H ATOM 656 HZ3 LYS A1042 1.877 51.933 -8.721 1.00 0.00 H ATOM 657 H LYS A1042 2.786 48.082 -3.137 1.00 0.00 H ATOM 658 N TYR A1043 2.262 45.023 -3.339 1.00 23.00 N ATOM 659 CA TYR A1043 2.288 43.604 -3.089 1.00 22.92 C ATOM 660 C TYR A1043 1.066 43.290 -2.233 1.00 23.78 C ATOM 661 O TYR A1043 0.905 43.828 -1.141 1.00 24.47 O ATOM 662 CB TYR A1043 3.550 43.172 -2.329 1.00 21.48 C ATOM 663 CG TYR A1043 4.855 43.480 -3.048 1.00 20.93 C ATOM 664 CD1 TYR A1043 5.109 43.004 -4.339 1.00 22.21 C ATOM 665 CD2 TYR A1043 5.826 44.300 -2.453 1.00 21.05 C ATOM 666 CE1 TYR A1043 6.311 43.295 -4.992 1.00 22.10 C ATOM 667 CE2 TYR A1043 7.022 44.589 -3.084 1.00 20.83 C ATOM 668 CZ TYR A1043 7.279 44.067 -4.333 1.00 21.67 C ATOM 669 OH TYR A1043 8.440 44.393 -4.948 1.00 21.78 O ATOM 670 HH TYR A1043 8.482 43.946 -5.830 1.00 0.00 H ATOM 671 H TYR A1043 2.514 45.683 -2.576 1.00 0.00 H ATOM 672 N LEU A1044 0.217 42.419 -2.758 1.00 23.86 N ATOM 673 CA LEU A1044 -0.954 41.924 -2.028 1.00 24.21 C ATOM 674 C LEU A1044 -0.744 40.501 -1.549 1.00 22.99 C ATOM 675 O LEU A1044 -1.560 39.996 -0.788 1.00 21.69 O ATOM 676 CB LEU A1044 -2.225 41.949 -2.900 1.00 26.30 C ATOM 677 CG LEU A1044 -2.771 43.274 -3.445 1.00 26.94 C ATOM 678 CD1 LEU A1044 -4.274 43.173 -3.675 1.00 26.86 C ATOM 679 CD2 LEU A1044 -2.413 44.448 -2.542 1.00 26.19 C ATOM 680 H LEU A1044 0.388 42.074 -3.724 1.00 0.00 H ATOM 681 N THR A1045 0.334 39.856 -1.986 1.00 21.50 N ATOM 682 CA THR A1045 0.639 38.516 -1.514 1.00 21.30 C ATOM 683 C THR A1045 2.176 38.365 -1.424 1.00 20.26 C ATOM 684 O THR A1045 2.926 39.157 -2.021 1.00 19.38 O ATOM 685 CB THR A1045 0.160 37.424 -2.466 1.00 21.70 C ATOM 686 OG1 THR A1045 0.980 37.445 -3.657 1.00 23.42 O ATOM 687 CG2 THR A1045 -1.342 37.540 -2.787 1.00 22.97 C ATOM 688 HG1 THR A1045 0.674 36.738 -4.279 1.00 0.00 H ATOM 689 H THR A1045 0.965 40.316 -2.673 1.00 0.00 H ATOM 690 N VAL A1046 2.609 37.349 -0.687 1.00 19.90 N ATOM 691 CA VAL A1046 4.052 37.021 -0.599 1.00 19.86 C ATOM 692 C VAL A1046 4.537 36.495 -1.915 1.00 20.74 C ATOM 693 O VAL A1046 5.697 36.696 -2.280 1.00 19.68 O ATOM 694 CB VAL A1046 4.372 36.091 0.590 1.00 19.37 C ATOM 695 CG1 VAL A1046 5.874 35.870 0.688 1.00 19.65 C ATOM 696 CG2 VAL A1046 3.917 36.775 1.892 1.00 19.51 C ATOM 697 H VAL A1046 1.922 36.772 -0.161 1.00 0.00 H ATOM 698 N LYS A1047 3.651 35.812 -2.638 1.00 23.26 N ATOM 699 CA LYS A1047 3.992 35.320 -3.956 1.00 24.11 C ATOM 700 C LYS A1047 4.383 36.463 -4.887 1.00 24.44 C ATOM 701 O LYS A1047 5.386 36.372 -5.622 1.00 24.84 O ATOM 702 CB LYS A1047 2.870 34.454 -4.566 1.00 25.40 C ATOM 703 CG LYS A1047 2.975 33.016 -4.125 1.00 26.46 C ATOM 704 CD LYS A1047 1.852 32.139 -4.623 1.00 28.34 C ATOM 705 CE LYS A1047 2.046 30.722 -4.129 1.00 29.62 C ATOM 706 NZ LYS A1047 1.815 30.553 -2.664 1.00 29.20 N ATOM 707 HZ1 LYS A1047 2.479 31.156 -2.138 1.00 0.00 H ATOM 708 HZ2 LYS A1047 0.839 30.828 -2.434 1.00 0.00 H ATOM 709 HZ3 LYS A1047 1.967 29.558 -2.403 1.00 0.00 H ATOM 710 H LYS A1047 2.703 35.630 -2.251 1.00 0.00 H ATOM 711 N ASP A1048 3.647 37.539 -4.856 1.00 24.30 N ATOM 712 CA ASP A1048 3.989 38.672 -5.682 1.00 26.64 C ATOM 713 C ASP A1048 5.366 39.301 -5.292 1.00 25.93 C ATOM 714 O ASP A1048 6.123 39.713 -6.154 1.00 23.90 O ATOM 715 CB ASP A1048 2.926 39.732 -5.529 1.00 28.06 C ATOM 716 CG ASP A1048 1.596 39.374 -6.261 1.00 30.78 C ATOM 717 OD1 ASP A1048 1.536 38.487 -7.104 1.00 32.76 O ATOM 718 OD2 ASP A1048 0.649 40.041 -5.939 1.00 35.01 O ATOM 719 H ASP A1048 2.813 37.581 -4.236 1.00 0.00 H ATOM 720 N TYR A1049 5.625 39.389 -3.978 1.00 22.54 N ATOM 721 CA TYR A1049 6.906 39.895 -3.482 1.00 21.80 C ATOM 722 C TYR A1049 8.043 39.012 -3.999 1.00 21.56 C ATOM 723 O TYR A1049 9.079 39.494 -4.500 1.00 21.77 O ATOM 724 CB TYR A1049 6.830 39.895 -1.948 1.00 19.46 C ATOM 725 CG TYR A1049 8.113 40.124 -1.225 1.00 18.16 C ATOM 726 CD1 TYR A1049 8.587 41.423 -0.996 1.00 18.26 C ATOM 727 CD2 TYR A1049 8.868 39.044 -0.758 1.00 17.41 C ATOM 728 CE1 TYR A1049 9.772 41.628 -0.315 1.00 17.29 C ATOM 729 CE2 TYR A1049 10.072 39.250 -0.088 1.00 17.14 C ATOM 730 CZ TYR A1049 10.521 40.528 0.134 1.00 17.03 C ATOM 731 OH TYR A1049 11.712 40.751 0.844 1.00 16.42 O ATOM 732 HH TYR A1049 11.879 41.725 0.908 1.00 0.00 H ATOM 733 H TYR A1049 4.899 39.091 -3.296 1.00 0.00 H ATOM 734 N LEU A1050 7.850 37.711 -3.877 1.00 21.16 N ATOM 735 CA LEU A1050 8.861 36.753 -4.284 1.00 22.44 C ATOM 736 C LEU A1050 9.142 36.766 -5.769 1.00 24.69 C ATOM 737 O LEU A1050 10.286 36.431 -6.143 1.00 23.70 O ATOM 738 CB LEU A1050 8.550 35.335 -3.826 1.00 22.75 C ATOM 739 CG LEU A1050 8.750 35.123 -2.337 1.00 23.51 C ATOM 740 CD1 LEU A1050 8.161 33.779 -1.984 1.00 24.84 C ATOM 741 CD2 LEU A1050 10.229 35.174 -1.915 1.00 24.77 C ATOM 742 H LEU A1050 6.953 37.365 -3.480 1.00 0.00 H ATOM 743 N ARG A1051 8.187 37.194 -6.598 1.00 24.38 N ATOM 744 CA ARG A1051 8.478 37.360 -8.016 1.00 28.28 C ATOM 745 C ARG A1051 9.514 38.446 -8.237 1.00 24.47 C ATOM 746 O ARG A1051 10.342 38.325 -9.126 1.00 21.85 O ATOM 747 CB ARG A1051 7.233 37.744 -8.832 1.00 33.21 C ATOM 748 CG ARG A1051 6.393 36.568 -9.235 1.00 42.88 C ATOM 749 CD ARG A1051 5.623 36.892 -10.539 1.00 54.82 C ATOM 750 NE ARG A1051 4.865 38.139 -10.420 1.00 59.54 N ATOM 751 CZ ARG A1051 3.756 38.282 -9.688 1.00 62.94 C ATOM 752 NH1 ARG A1051 3.151 39.474 -9.631 1.00 60.21 N ATOM 753 NH2 ARG A1051 3.243 37.244 -9.010 1.00 63.86 N ATOM 754 HE ARG A1051 5.213 38.970 -10.940 1.00 0.00 H ATOM 755 HH12 ARG A1051 2.288 39.592 -9.063 1.00 0.00 H ATOM 756 HH11 ARG A1051 3.544 40.282 -10.154 1.00 0.00 H ATOM 757 HH22 ARG A1051 2.379 37.368 -8.444 1.00 0.00 H ATOM 758 HH21 ARG A1051 3.709 36.315 -9.050 1.00 0.00 H ATOM 759 H ARG A1051 7.237 37.408 -6.232 1.00 0.00 H ATOM 760 N ASP A1052 9.447 39.493 -7.421 1.00 22.31 N ATOM 761 CA ASP A1052 10.428 40.569 -7.475 1.00 22.48 C ATOM 762 C ASP A1052 11.814 40.151 -6.880 1.00 21.38 C ATOM 763 O ASP A1052 12.878 40.471 -7.460 1.00 20.75 O ATOM 764 CB ASP A1052 9.909 41.840 -6.829 1.00 23.73 C ATOM 765 CG ASP A1052 9.080 42.684 -7.785 1.00 25.33 C ATOM 766 OD1 ASP A1052 9.091 42.369 -8.980 1.00 25.49 O ATOM 767 OD2 ASP A1052 8.450 43.666 -7.342 1.00 25.01 O ATOM 768 H ASP A1052 8.675 39.546 -6.726 1.00 0.00 H ATOM 769 N ILE A1053 11.818 39.397 -5.801 1.00 19.44 N ATOM 770 CA ILE A1053 13.069 38.784 -5.341 1.00 19.86 C ATOM 771 C ILE A1053 13.657 37.873 -6.464 1.00 21.59 C ATOM 772 O ILE A1053 14.877 37.920 -6.749 1.00 20.68 O ATOM 773 CB ILE A1053 12.881 37.981 -4.039 1.00 19.94 C ATOM 774 CG1 ILE A1053 12.364 38.893 -2.896 1.00 19.85 C ATOM 775 CG2 ILE A1053 14.157 37.293 -3.671 1.00 20.82 C ATOM 776 CD1 ILE A1053 13.285 40.060 -2.560 1.00 20.91 C ATOM 777 H ILE A1053 10.935 39.236 -5.275 1.00 0.00 H ATOM 778 N ASP A1054 12.820 37.049 -7.097 1.00 21.30 N ATOM 779 CA ASP A1054 13.270 36.204 -8.166 1.00 24.01 C ATOM 780 C ASP A1054 13.841 37.018 -9.324 1.00 24.80 C ATOM 781 O ASP A1054 14.797 36.567 -9.966 1.00 25.49 O ATOM 782 CB ASP A1054 12.139 35.318 -8.692 1.00 28.63 C ATOM 783 CG ASP A1054 11.827 34.157 -7.787 1.00 30.99 C ATOM 784 OD1 ASP A1054 12.637 33.758 -6.951 1.00 32.76 O ATOM 785 OD2 ASP A1054 10.758 33.597 -7.964 1.00 37.66 O ATOM 786 H ASP A1054 11.821 37.018 -6.810 1.00 0.00 H ATOM 787 N LEU A1055 13.223 38.184 -9.602 1.00 25.25 N ATOM 788 CA LEU A1055 13.691 39.114 -10.608 1.00 27.69 C ATOM 789 C LEU A1055 15.110 39.674 -10.321 1.00 27.93 C ATOM 790 O LEU A1055 15.975 39.719 -11.211 1.00 26.29 O ATOM 791 CB LEU A1055 12.697 40.231 -10.769 1.00 28.30 C ATOM 792 CG LEU A1055 12.839 41.163 -11.939 1.00 32.92 C ATOM 793 CD1 LEU A1055 12.934 40.440 -13.294 1.00 34.11 C ATOM 794 CD2 LEU A1055 11.645 42.099 -11.908 1.00 34.31 C ATOM 795 H LEU A1055 12.366 38.428 -9.066 1.00 0.00 H ATOM 796 N ILE A1056 15.345 40.108 -9.082 1.00 23.99 N ATOM 797 CA ILE A1056 16.683 40.526 -8.663 1.00 24.60 C ATOM 798 C ILE A1056 17.690 39.453 -8.988 1.00 23.54 C ATOM 799 O ILE A1056 18.738 39.737 -9.594 1.00 26.05 O ATOM 800 CB ILE A1056 16.751 40.871 -7.153 1.00 22.89 C ATOM 801 CG1 ILE A1056 15.833 42.079 -6.843 1.00 21.45 C ATOM 802 CG2 ILE A1056 18.196 41.134 -6.760 1.00 23.94 C ATOM 803 CD1 ILE A1056 15.660 42.414 -5.361 1.00 21.14 C ATOM 804 H ILE A1056 14.561 40.150 -8.400 1.00 0.00 H ATOM 805 N CYS A1057 17.376 38.215 -8.627 1.00 22.86 N ATOM 806 CA CYS A1057 18.239 37.107 -8.939 1.00 24.08 C ATOM 807 C CYS A1057 18.411 36.837 -10.440 1.00 25.14 C ATOM 808 O CYS A1057 19.537 36.736 -10.936 1.00 23.86 O ATOM 809 CB CYS A1057 17.805 35.870 -8.159 1.00 24.66 C ATOM 810 SG CYS A1057 18.899 34.449 -8.312 1.00 28.45 S ATOM 811 H CYS A1057 16.490 38.043 -8.109 1.00 0.00 H ATOM 812 N SER A1058 17.318 36.723 -11.181 1.00 25.01 N ATOM 813 CA SER A1058 17.437 36.321 -12.561 1.00 26.17 C ATOM 814 C SER A1058 18.148 37.405 -13.347 1.00 27.41 C ATOM 815 O SER A1058 18.971 37.105 -14.231 1.00 28.00 O ATOM 816 CB SER A1058 16.063 35.957 -13.153 1.00 27.77 C ATOM 817 OG SER A1058 15.152 37.025 -12.999 1.00 29.29 O ATOM 818 HG SER A1058 14.277 36.769 -13.386 1.00 0.00 H ATOM 819 H SER A1058 16.383 36.922 -10.771 1.00 0.00 H ATOM 820 N ASN A1059 17.875 38.663 -13.004 1.00 26.85 N ATOM 821 CA ASN A1059 18.600 39.767 -13.597 1.00 28.45 C ATOM 822 C ASN A1059 20.123 39.620 -13.420 1.00 27.50 C ATOM 823 O ASN A1059 20.881 39.857 -14.351 1.00 28.04 O ATOM 824 CB ASN A1059 18.135 41.132 -13.056 1.00 28.12 C ATOM 825 CG ASN A1059 16.789 41.566 -13.609 1.00 31.36 C ATOM 826 OD1 ASN A1059 16.242 40.943 -14.522 1.00 31.04 O ATOM 827 ND2 ASN A1059 16.227 42.597 -13.016 1.00 30.45 N ATOM 828 HD22 ASN A1059 16.727 43.092 -12.250 1.00 0.00 H ATOM 829 HD21 ASN A1059 15.283 42.917 -13.313 1.00 0.00 H ATOM 830 H ASN A1059 17.132 38.854 -12.302 1.00 0.00 H ATOM 831 N ALA A1060 20.556 39.240 -12.215 1.00 27.04 N ATOM 832 CA ALA A1060 21.976 39.159 -11.931 1.00 27.67 C ATOM 833 C ALA A1060 22.556 38.002 -12.744 1.00 28.40 C ATOM 834 O ALA A1060 23.650 38.105 -13.229 1.00 29.17 O ATOM 835 CB ALA A1060 22.232 38.960 -10.431 1.00 25.92 C ATOM 836 H ALA A1060 19.868 39.000 -11.473 1.00 0.00 H ATOM 837 N LEU A1061 21.827 36.892 -12.865 1.00 29.88 N ATOM 838 CA LEU A1061 22.378 35.738 -13.594 1.00 32.55 C ATOM 839 C LEU A1061 22.435 35.984 -15.078 1.00 33.81 C ATOM 840 O LEU A1061 23.311 35.481 -15.791 1.00 34.94 O ATOM 841 CB LEU A1061 21.567 34.501 -13.353 1.00 32.84 C ATOM 842 CG LEU A1061 21.223 34.063 -11.932 1.00 33.63 C ATOM 843 CD1 LEU A1061 20.596 32.672 -12.045 1.00 35.34 C ATOM 844 CD2 LEU A1061 22.409 34.030 -11.014 1.00 33.92 C ATOM 845 H LEU A1061 20.876 36.842 -12.447 1.00 0.00 H ATOM 846 N GLU A1062 21.521 36.802 -15.538 1.00 34.90 N ATOM 847 CA GLU A1062 21.458 37.141 -16.950 1.00 39.44 C ATOM 848 C GLU A1062 22.540 38.144 -17.324 1.00 37.60 C ATOM 849 O GLU A1062 23.240 37.990 -18.323 1.00 38.03 O ATOM 850 CB GLU A1062 20.044 37.666 -17.255 1.00 41.55 C ATOM 851 CG GLU A1062 19.893 38.400 -18.561 1.00 51.18 C ATOM 852 CD GLU A1062 18.456 38.845 -18.824 1.00 54.83 C ATOM 853 OE1 GLU A1062 17.572 38.650 -17.942 1.00 53.06 O ATOM 854 OE2 GLU A1062 18.254 39.396 -19.933 1.00 65.03 O ATOM 855 H GLU A1062 20.829 37.216 -14.882 1.00 0.00 H ATOM 856 N TYR A1063 22.677 39.190 -16.527 1.00 36.49 N ATOM 857 CA TYR A1063 23.629 40.246 -16.838 1.00 35.07 C ATOM 858 C TYR A1063 25.089 39.872 -16.541 1.00 35.15 C ATOM 859 O TYR A1063 26.014 40.462 -17.115 1.00 35.86 O ATOM 860 CB TYR A1063 23.294 41.478 -16.023 1.00 35.68 C ATOM 861 CG TYR A1063 24.133 42.658 -16.397 1.00 37.59 C ATOM 862 CD1 TYR A1063 23.934 43.314 -17.616 1.00 41.55 C ATOM 863 CD2 TYR A1063 25.149 43.105 -15.557 1.00 40.21 C ATOM 864 CE1 TYR A1063 24.724 44.403 -17.988 1.00 45.09 C ATOM 865 CE2 TYR A1063 25.964 44.164 -15.916 1.00 43.69 C ATOM 866 CZ TYR A1063 25.751 44.809 -17.123 1.00 46.21 C ATOM 867 OH TYR A1063 26.534 45.865 -17.450 1.00 52.99 O ATOM 868 HH TYR A1063 26.261 46.215 -18.335 1.00 0.00 H ATOM 869 H TYR A1063 22.097 39.259 -15.667 1.00 0.00 H ATOM 870 N ASN A1064 25.315 38.938 -15.617 1.00 33.11 N ATOM 871 CA ASN A1064 26.698 38.543 -15.236 1.00 33.16 C ATOM 872 C ASN A1064 26.848 37.055 -15.468 1.00 33.30 C ATOM 873 O ASN A1064 26.914 36.275 -14.530 1.00 30.93 O ATOM 874 CB ASN A1064 27.021 38.888 -13.770 1.00 31.87 C ATOM 875 CG ASN A1064 26.567 40.273 -13.382 1.00 33.02 C ATOM 876 OD1 ASN A1064 27.311 41.229 -13.477 1.00 34.62 O ATOM 877 ND2 ASN A1064 25.352 40.372 -12.889 1.00 33.24 N ATOM 878 HD22 ASN A1064 24.747 39.529 -12.825 1.00 0.00 H ATOM 879 HD21 ASN A1064 24.997 41.293 -12.563 1.00 0.00 H ATOM 880 H ASN A1064 24.507 38.476 -15.153 1.00 0.00 H ATOM 881 N PRO A1065 26.943 36.652 -16.742 1.00 36.42 N ATOM 882 CA PRO A1065 26.860 35.233 -16.994 1.00 38.49 C ATOM 883 C PRO A1065 28.242 34.549 -17.102 1.00 40.65 C ATOM 884 O PRO A1065 28.282 33.337 -17.201 1.00 47.00 O ATOM 885 CB PRO A1065 26.125 35.208 -18.339 1.00 40.90 C ATOM 886 CG PRO A1065 26.729 36.390 -19.076 1.00 42.23 C ATOM 887 CD PRO A1065 27.059 37.417 -18.002 1.00 39.59 C ATOM 888 N ASP A1066 29.333 35.305 -17.032 1.00 39.45 N ATOM 889 CA ASP A1066 30.707 34.809 -17.430 1.00 40.98 C ATOM 890 C ASP A1066 31.326 33.864 -16.418 1.00 39.49 C ATOM 891 O ASP A1066 30.828 33.754 -15.304 1.00 36.46 O ATOM 892 CB ASP A1066 31.666 35.971 -17.543 1.00 44.86 C ATOM 893 CG ASP A1066 31.529 36.754 -18.853 1.00 53.21 C ATOM 894 OD1 ASP A1066 30.485 36.661 -19.579 1.00 52.82 O ATOM 895 OD2 ASP A1066 32.514 37.476 -19.128 1.00 61.42 O ATOM 896 H ASP A1066 29.239 36.282 -16.688 1.00 0.00 H ATOM 897 N ARG A1067 32.426 33.199 -16.760 1.00 39.61 N ATOM 898 CA ARG A1067 33.051 32.287 -15.768 1.00 39.47 C ATOM 899 C ARG A1067 33.987 33.068 -14.858 1.00 37.10 C ATOM 900 O ARG A1067 34.560 32.508 -13.922 1.00 37.20 O ATOM 901 CB ARG A1067 33.827 31.132 -16.458 1.00 41.01 C ATOM 902 CG ARG A1067 34.991 31.510 -17.413 1.00 40.67 C ATOM 903 CD ARG A1067 36.386 31.362 -16.830 1.00 41.15 C ATOM 904 NE ARG A1067 36.512 30.322 -15.810 1.00 38.76 N ATOM 905 CZ ARG A1067 37.272 30.423 -14.704 1.00 42.89 C ATOM 906 NH1 ARG A1067 37.318 29.407 -13.791 1.00 38.65 N ATOM 907 NH2 ARG A1067 38.015 31.526 -14.508 1.00 41.32 N ATOM 908 HE ARG A1067 35.976 29.442 -15.949 1.00 0.00 H ATOM 909 HH12 ARG A1067 37.910 29.498 -12.941 1.00 0.00 H ATOM 910 HH11 ARG A1067 36.761 28.542 -13.947 1.00 0.00 H ATOM 911 HH22 ARG A1067 38.605 31.611 -13.656 1.00 0.00 H ATOM 912 HH21 ARG A1067 38.000 32.294 -15.209 1.00 0.00 H ATOM 913 H ARG A1067 32.842 33.316 -17.706 1.00 0.00 H ATOM 914 N ASP A1068 34.178 34.347 -15.176 1.00 35.76 N ATOM 915 CA ASP A1068 35.123 35.216 -14.509 1.00 35.32 C ATOM 916 C ASP A1068 34.712 35.344 -13.030 1.00 32.65 C ATOM 917 O ASP A1068 33.510 35.288 -12.737 1.00 31.93 O ATOM 918 CB ASP A1068 35.123 36.565 -15.275 1.00 37.38 C ATOM 919 CG ASP A1068 35.619 36.416 -16.748 1.00 39.96 C ATOM 920 OD1 ASP A1068 34.902 35.858 -17.611 1.00 41.16 O ATOM 921 OD2 ASP A1068 36.755 36.838 -17.048 1.00 44.89 O ATOM 922 H ASP A1068 33.613 34.746 -15.952 1.00 0.00 H ATOM 923 N PRO A1069 35.674 35.513 -12.112 1.00 28.92 N ATOM 924 CA PRO A1069 35.302 35.538 -10.713 1.00 26.82 C ATOM 925 C PRO A1069 34.379 36.666 -10.301 1.00 24.46 C ATOM 926 O PRO A1069 33.602 36.481 -9.371 1.00 23.61 O ATOM 927 CB PRO A1069 36.641 35.673 -9.979 1.00 26.54 C ATOM 928 CG PRO A1069 37.667 35.237 -10.931 1.00 27.45 C ATOM 929 CD PRO A1069 37.153 35.523 -12.294 1.00 29.19 C ATOM 930 N GLY A1070 34.501 37.822 -10.919 1.00 24.11 N ATOM 931 CA GLY A1070 33.560 38.913 -10.669 1.00 26.58 C ATOM 932 C GLY A1070 32.092 38.540 -10.890 1.00 27.09 C ATOM 933 O GLY A1070 31.243 38.753 -10.001 1.00 26.04 O ATOM 934 H GLY A1070 35.279 37.961 -11.595 1.00 0.00 H ATOM 935 N ASP A1071 31.826 37.948 -12.059 1.00 27.54 N ATOM 936 CA ASP A1071 30.529 37.392 -12.391 1.00 29.78 C ATOM 937 C ASP A1071 30.119 36.244 -11.486 1.00 29.00 C ATOM 938 O ASP A1071 28.966 36.180 -11.052 1.00 27.71 O ATOM 939 CB ASP A1071 30.492 36.900 -13.837 1.00 32.06 C ATOM 940 CG ASP A1071 30.379 38.037 -14.827 1.00 35.04 C ATOM 941 OD1 ASP A1071 30.737 39.178 -14.465 1.00 37.77 O ATOM 942 OD2 ASP A1071 29.874 37.788 -15.944 1.00 37.93 O ATOM 943 H ASP A1071 32.587 37.883 -12.765 1.00 0.00 H ATOM 944 N ARG A1072 31.031 35.337 -11.191 1.00 27.23 N ATOM 945 CA ARG A1072 30.673 34.205 -10.391 1.00 28.89 C ATOM 946 C ARG A1072 30.293 34.650 -8.961 1.00 27.34 C ATOM 947 O ARG A1072 29.410 34.037 -8.331 1.00 26.93 O ATOM 948 CB ARG A1072 31.758 33.132 -10.348 1.00 30.91 C ATOM 949 CG ARG A1072 31.717 32.270 -11.590 1.00 37.42 C ATOM 950 CD ARG A1072 32.734 31.149 -11.582 1.00 43.04 C ATOM 951 NE ARG A1072 32.606 30.305 -12.781 1.00 49.45 N ATOM 952 CZ ARG A1072 33.513 29.397 -13.171 1.00 58.71 C ATOM 953 NH1 ARG A1072 34.631 29.188 -12.469 1.00 59.56 N ATOM 954 NH2 ARG A1072 33.297 28.675 -14.273 1.00 62.84 N ATOM 955 HE ARG A1072 31.754 30.421 -13.366 1.00 0.00 H ATOM 956 HH12 ARG A1072 35.321 28.479 -12.789 1.00 0.00 H ATOM 957 HH11 ARG A1072 34.811 29.734 -11.603 1.00 0.00 H ATOM 958 HH22 ARG A1072 33.998 27.970 -14.579 1.00 0.00 H ATOM 959 HH21 ARG A1072 32.428 28.817 -14.826 1.00 0.00 H ATOM 960 H ARG A1072 32.005 35.444 -11.538 1.00 0.00 H ATOM 961 N LEU A1073 30.959 35.694 -8.462 1.00 24.15 N ATOM 962 CA LEU A1073 30.679 36.172 -7.111 1.00 23.05 C ATOM 963 C LEU A1073 29.251 36.773 -7.018 1.00 23.83 C ATOM 964 O LEU A1073 28.489 36.441 -6.084 1.00 22.36 O ATOM 965 CB LEU A1073 31.687 37.205 -6.694 1.00 22.48 C ATOM 966 CG LEU A1073 31.493 37.872 -5.351 1.00 20.98 C ATOM 967 CD1 LEU A1073 31.474 36.881 -4.238 1.00 20.68 C ATOM 968 CD2 LEU A1073 32.579 38.904 -5.130 1.00 22.34 C ATOM 969 H LEU A1073 31.682 36.170 -9.039 1.00 0.00 H ATOM 970 N ILE A1074 28.913 37.637 -7.962 1.00 24.14 N ATOM 971 CA ILE A1074 27.589 38.242 -7.975 1.00 25.94 C ATOM 972 C ILE A1074 26.494 37.201 -8.206 1.00 25.05 C ATOM 973 O ILE A1074 25.451 37.293 -7.556 1.00 24.98 O ATOM 974 CB ILE A1074 27.469 39.426 -8.954 1.00 28.21 C ATOM 975 CG1 ILE A1074 26.141 40.120 -8.770 1.00 30.57 C ATOM 976 CG2 ILE A1074 27.536 38.958 -10.390 1.00 31.91 C ATOM 977 CD1 ILE A1074 26.097 41.549 -9.244 1.00 33.80 C ATOM 978 H ILE A1074 29.600 37.886 -8.702 1.00 0.00 H ATOM 979 N ARG A1075 26.718 36.210 -9.073 1.00 24.81 N ATOM 980 CA ARG A1075 25.753 35.134 -9.262 1.00 26.09 C ATOM 981 C ARG A1075 25.547 34.350 -7.978 1.00 25.22 C ATOM 982 O ARG A1075 24.429 34.025 -7.610 1.00 22.56 O ATOM 983 CB ARG A1075 26.161 34.170 -10.379 1.00 28.52 C ATOM 984 CG ARG A1075 26.177 34.780 -11.763 1.00 30.91 C ATOM 985 CD ARG A1075 25.916 33.713 -12.830 1.00 35.40 C ATOM 986 NE ARG A1075 26.941 32.675 -12.859 1.00 37.16 N ATOM 987 CZ ARG A1075 28.118 32.797 -13.444 1.00 41.61 C ATOM 988 NH1 ARG A1075 28.992 31.781 -13.403 1.00 44.38 N ATOM 989 NH2 ARG A1075 28.432 33.928 -14.079 1.00 42.61 N ATOM 990 HE ARG A1075 26.729 31.774 -12.385 1.00 0.00 H ATOM 991 HH12 ARG A1075 29.920 31.874 -13.863 1.00 0.00 H ATOM 992 HH11 ARG A1075 28.742 30.899 -12.911 1.00 0.00 H ATOM 993 HH22 ARG A1075 29.359 34.025 -14.540 1.00 0.00 H ATOM 994 HH21 ARG A1075 27.750 34.712 -14.113 1.00 0.00 H ATOM 995 H ARG A1075 27.599 36.206 -9.625 1.00 0.00 H ATOM 996 N HIS A1076 26.641 34.026 -7.300 1.00 23.29 N ATOM 997 CA HIS A1076 26.552 33.359 -6.023 1.00 23.12 C ATOM 998 C HIS A1076 25.759 34.141 -4.981 1.00 22.44 C ATOM 999 O HIS A1076 24.919 33.552 -4.248 1.00 22.47 O ATOM 1000 CB HIS A1076 27.939 33.005 -5.449 1.00 23.21 C ATOM 1001 CG HIS A1076 27.881 32.045 -4.305 1.00 23.61 C ATOM 1002 ND1 HIS A1076 27.870 32.442 -2.978 1.00 24.99 N ATOM 1003 CD2 HIS A1076 27.837 30.691 -4.295 1.00 24.68 C ATOM 1004 CE1 HIS A1076 27.800 31.365 -2.199 1.00 24.34 C ATOM 1005 NE2 HIS A1076 27.808 30.292 -2.977 1.00 24.53 N ATOM 1006 H HIS A1076 27.575 34.256 -7.694 1.00 0.00 H ATOM 1007 N ARG A1077 26.046 35.429 -4.900 1.00 21.23 N ATOM 1008 CA ARG A1077 25.375 36.306 -4.014 1.00 20.91 C ATOM 1009 C ARG A1077 23.872 36.454 -4.376 1.00 21.12 C ATOM 1010 O ARG A1077 23.043 36.479 -3.472 1.00 19.50 O ATOM 1011 CB ARG A1077 26.017 37.676 -4.042 1.00 21.70 C ATOM 1012 CG ARG A1077 27.380 37.716 -3.329 1.00 21.44 C ATOM 1013 CD ARG A1077 28.032 39.031 -3.597 1.00 22.58 C ATOM 1014 NE ARG A1077 29.162 39.186 -2.719 1.00 23.77 N ATOM 1015 CZ ARG A1077 30.059 40.164 -2.759 1.00 25.15 C ATOM 1016 NH1 ARG A1077 29.977 41.137 -3.642 1.00 26.15 N ATOM 1017 NH2 ARG A1077 31.050 40.141 -1.872 1.00 26.32 N ATOM 1018 HE ARG A1077 29.288 38.462 -1.983 1.00 0.00 H ATOM 1019 HH12 ARG A1077 30.693 41.891 -3.652 1.00 0.00 H ATOM 1020 HH11 ARG A1077 29.197 41.151 -4.329 1.00 0.00 H ATOM 1021 HH22 ARG A1077 31.769 40.892 -1.876 1.00 0.00 H ATOM 1022 HH21 ARG A1077 31.106 39.372 -1.174 1.00 0.00 H ATOM 1023 H ARG A1077 26.794 35.813 -5.511 1.00 0.00 H ATOM 1024 N ALA A1078 23.552 36.533 -5.672 1.00 21.74 N ATOM 1025 CA ALA A1078 22.149 36.526 -6.138 1.00 22.84 C ATOM 1026 C ALA A1078 21.355 35.298 -5.711 1.00 23.14 C ATOM 1027 O ALA A1078 20.220 35.404 -5.146 1.00 21.63 O ATOM 1028 CB ALA A1078 22.129 36.658 -7.642 1.00 24.44 C ATOM 1029 H ALA A1078 24.315 36.602 -6.375 1.00 0.00 H ATOM 1030 N CYS A1079 21.974 34.144 -5.899 1.00 23.20 N ATOM 1031 CA CYS A1079 21.386 32.907 -5.507 1.00 24.08 C ATOM 1032 C CYS A1079 21.226 32.843 -4.010 1.00 23.20 C ATOM 1033 O CYS A1079 20.230 32.312 -3.513 1.00 20.88 O ATOM 1034 CB CYS A1079 22.191 31.713 -6.037 1.00 26.50 C ATOM 1035 SG CYS A1079 21.912 31.486 -7.806 1.00 35.12 S ATOM 1036 H CYS A1079 22.914 34.140 -6.344 1.00 0.00 H ATOM 1037 N ALA A1080 22.193 33.397 -3.278 1.00 21.10 N ATOM 1038 CA ALA A1080 22.115 33.415 -1.821 1.00 20.55 C ATOM 1039 C ALA A1080 20.988 34.338 -1.309 1.00 20.46 C ATOM 1040 O ALA A1080 20.288 34.002 -0.351 1.00 20.11 O ATOM 1041 CB ALA A1080 23.470 33.763 -1.216 1.00 20.12 C ATOM 1042 H ALA A1080 23.015 33.823 -3.752 1.00 0.00 H ATOM 1043 N LEU A1081 20.785 35.458 -1.973 1.00 20.43 N ATOM 1044 CA LEU A1081 19.698 36.354 -1.695 1.00 21.16 C ATOM 1045 C LEU A1081 18.371 35.653 -1.877 1.00 21.30 C ATOM 1046 O LEU A1081 17.527 35.794 -1.025 1.00 19.87 O ATOM 1047 CB LEU A1081 19.746 37.608 -2.600 1.00 23.07 C ATOM 1048 CG LEU A1081 18.521 38.537 -2.527 1.00 25.75 C ATOM 1049 CD1 LEU A1081 18.771 39.446 -1.372 1.00 27.31 C ATOM 1050 CD2 LEU A1081 18.373 39.397 -3.761 1.00 29.19 C ATOM 1051 H LEU A1081 21.446 35.705 -2.737 1.00 0.00 H ATOM 1052 N ARG A1082 18.178 35.016 -3.036 1.00 21.71 N ATOM 1053 CA ARG A1082 16.965 34.252 -3.327 1.00 23.02 C ATOM 1054 C ARG A1082 16.732 33.173 -2.289 1.00 22.20 C ATOM 1055 O ARG A1082 15.643 33.071 -1.744 1.00 20.61 O ATOM 1056 CB ARG A1082 17.015 33.597 -4.711 1.00 24.78 C ATOM 1057 CG ARG A1082 15.924 32.562 -4.985 1.00 25.52 C ATOM 1058 CD ARG A1082 16.318 31.622 -6.111 1.00 28.80 C ATOM 1059 NE ARG A1082 17.387 30.713 -5.677 1.00 29.80 N ATOM 1060 CZ ARG A1082 18.291 30.183 -6.469 1.00 31.43 C ATOM 1061 NH1 ARG A1082 18.311 30.469 -7.758 1.00 33.58 N ATOM 1062 NH2 ARG A1082 19.192 29.379 -5.961 1.00 31.88 N ATOM 1063 HE ARG A1082 17.432 30.471 -4.667 1.00 0.00 H ATOM 1064 HH12 ARG A1082 19.032 30.043 -8.374 1.00 0.00 H ATOM 1065 HH11 ARG A1082 17.606 31.121 -8.157 1.00 0.00 H ATOM 1066 HH22 ARG A1082 19.914 28.952 -6.576 1.00 0.00 H ATOM 1067 HH21 ARG A1082 19.185 29.168 -4.943 1.00 0.00 H ATOM 1068 H ARG A1082 18.922 35.066 -3.761 1.00 0.00 H ATOM 1069 N ASP A1083 17.736 32.349 -2.061 1.00 22.09 N ATOM 1070 CA ASP A1083 17.643 31.275 -1.095 1.00 22.84 C ATOM 1071 C ASP A1083 17.356 31.735 0.332 1.00 20.77 C ATOM 1072 O ASP A1083 16.543 31.131 1.050 1.00 20.38 O ATOM 1073 CB ASP A1083 18.909 30.479 -1.074 1.00 26.43 C ATOM 1074 CG ASP A1083 19.123 29.665 -2.360 1.00 30.66 C ATOM 1075 OD1 ASP A1083 18.243 29.620 -3.268 1.00 34.52 O ATOM 1076 OD2 ASP A1083 20.231 29.099 -2.435 1.00 32.60 O ATOM 1077 H ASP A1083 18.622 32.475 -2.591 1.00 0.00 H ATOM 1078 N THR A1084 17.959 32.831 0.716 1.00 19.23 N ATOM 1079 CA THR A1084 17.722 33.411 2.043 1.00 18.43 C ATOM 1080 C THR A1084 16.284 33.925 2.208 1.00 17.81 C ATOM 1081 O THR A1084 15.680 33.761 3.260 1.00 18.33 O ATOM 1082 CB THR A1084 18.741 34.533 2.349 1.00 18.87 C ATOM 1083 OG1 THR A1084 20.062 33.960 2.344 1.00 19.07 O ATOM 1084 CG2 THR A1084 18.521 35.147 3.714 1.00 19.89 C ATOM 1085 HG1 THR A1084 20.247 33.567 1.454 1.00 0.00 H ATOM 1086 H THR A1084 18.621 33.301 0.066 1.00 0.00 H ATOM 1087 N ALA A1085 15.783 34.590 1.198 1.00 17.80 N ATOM 1088 CA ALA A1085 14.415 35.130 1.246 1.00 17.98 C ATOM 1089 C ALA A1085 13.424 33.980 1.324 1.00 17.55 C ATOM 1090 O ALA A1085 12.532 34.023 2.152 1.00 18.04 O ATOM 1091 CB ALA A1085 14.146 36.018 0.036 1.00 17.58 C ATOM 1092 H ALA A1085 16.362 34.739 0.347 1.00 0.00 H ATOM 1093 N TYR A1086 13.608 32.944 0.510 1.00 18.32 N ATOM 1094 CA TYR A1086 12.736 31.794 0.535 1.00 19.23 C ATOM 1095 C TYR A1086 12.834 31.072 1.862 1.00 19.68 C ATOM 1096 O TYR A1086 11.828 30.620 2.376 1.00 20.19 O ATOM 1097 CB TYR A1086 13.014 30.844 -0.599 1.00 21.38 C ATOM 1098 CG TYR A1086 12.322 31.196 -1.855 1.00 21.61 C ATOM 1099 CD1 TYR A1086 12.850 32.138 -2.718 1.00 22.44 C ATOM 1100 CD2 TYR A1086 11.076 30.638 -2.168 1.00 23.90 C ATOM 1101 CE1 TYR A1086 12.225 32.485 -3.912 1.00 22.61 C ATOM 1102 CE2 TYR A1086 10.430 30.976 -3.380 1.00 24.33 C ATOM 1103 CZ TYR A1086 11.012 31.918 -4.225 1.00 24.36 C ATOM 1104 OH TYR A1086 10.400 32.251 -5.405 1.00 26.20 O ATOM 1105 HH TYR A1086 10.945 32.929 -5.878 1.00 0.00 H ATOM 1106 H TYR A1086 14.401 32.963 -0.162 1.00 0.00 H ATOM 1107 N ALA A1087 14.012 30.975 2.433 1.00 18.62 N ATOM 1108 CA ALA A1087 14.176 30.270 3.721 1.00 19.43 C ATOM 1109 C ALA A1087 13.519 31.021 4.887 1.00 19.24 C ATOM 1110 O ALA A1087 12.896 30.399 5.800 1.00 18.91 O ATOM 1111 CB ALA A1087 15.648 30.070 4.012 1.00 20.86 C ATOM 1112 H ALA A1087 14.842 31.400 1.972 1.00 0.00 H ATOM 1113 N ILE A1088 13.671 32.350 4.896 1.00 18.58 N ATOM 1114 CA ILE A1088 13.023 33.155 5.898 1.00 18.14 C ATOM 1115 C ILE A1088 11.521 33.004 5.780 1.00 18.24 C ATOM 1116 O ILE A1088 10.803 32.792 6.775 1.00 17.99 O ATOM 1117 CB ILE A1088 13.390 34.652 5.772 1.00 18.10 C ATOM 1118 CG1 ILE A1088 14.839 34.841 6.223 1.00 19.11 C ATOM 1119 CG2 ILE A1088 12.468 35.542 6.625 1.00 17.99 C ATOM 1120 CD1 ILE A1088 15.444 36.181 5.881 1.00 18.87 C ATOM 1121 H ILE A1088 14.263 32.806 4.172 1.00 0.00 H ATOM 1122 N ILE A1089 11.025 33.070 4.565 1.00 18.97 N ATOM 1123 CA ILE A1089 9.604 32.949 4.355 1.00 19.82 C ATOM 1124 C ILE A1089 9.087 31.539 4.744 1.00 20.93 C ATOM 1125 O ILE A1089 8.042 31.380 5.393 1.00 18.85 O ATOM 1126 CB ILE A1089 9.273 33.391 2.923 1.00 22.02 C ATOM 1127 CG1 ILE A1089 9.289 34.940 2.886 1.00 23.82 C ATOM 1128 CG2 ILE A1089 7.967 32.765 2.445 1.00 23.09 C ATOM 1129 CD1 ILE A1089 9.465 35.503 1.515 1.00 27.26 C ATOM 1130 H ILE A1089 11.659 33.210 3.753 1.00 0.00 H ATOM 1131 N LYS A1090 9.841 30.510 4.419 1.00 22.61 N ATOM 1132 CA LYS A1090 9.415 29.170 4.785 1.00 25.48 C ATOM 1133 C LYS A1090 9.303 29.002 6.296 1.00 25.14 C ATOM 1134 O LYS A1090 8.425 28.322 6.768 1.00 24.14 O ATOM 1135 CB LYS A1090 10.358 28.117 4.219 1.00 31.01 C ATOM 1136 CG LYS A1090 10.016 26.680 4.633 1.00 36.64 C ATOM 1137 CD LYS A1090 11.100 25.734 4.101 1.00 44.90 C ATOM 1138 CE LYS A1090 10.697 24.250 4.201 1.00 52.29 C ATOM 1139 NZ LYS A1090 9.503 23.958 3.351 1.00 56.25 N ATOM 1140 HZ1 LYS A1090 8.703 24.542 3.667 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 9.724 24.177 2.359 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 9.255 22.952 3.438 1.00 0.00 H ATOM 1143 H LYS A1090 10.733 30.655 3.905 1.00 0.00 H ATOM 1144 N GLU A1091 10.180 29.626 7.047 1.00 24.23 N ATOM 1145 CA GLU A1091 10.175 29.504 8.476 1.00 24.69 C ATOM 1146 C GLU A1091 9.154 30.412 9.147 1.00 24.94 C ATOM 1147 O GLU A1091 8.680 30.088 10.244 1.00 25.55 O ATOM 1148 CB GLU A1091 11.537 29.851 9.078 1.00 26.08 C ATOM 1149 CG GLU A1091 12.665 28.876 8.825 1.00 27.85 C ATOM 1150 CD GLU A1091 13.775 29.010 9.873 1.00 31.00 C ATOM 1151 OE1 GLU A1091 14.511 30.027 9.840 1.00 31.28 O ATOM 1152 OE2 GLU A1091 13.918 28.083 10.732 1.00 34.97 O ATOM 1153 H GLU A1091 10.899 30.226 6.593 1.00 0.00 H ATOM 1154 N GLU A1092 8.850 31.562 8.537 1.00 21.06 N ATOM 1155 CA GLU A1092 8.164 32.633 9.282 1.00 20.34 C ATOM 1156 C GLU A1092 6.812 33.094 8.744 1.00 19.58 C ATOM 1157 O GLU A1092 6.110 33.795 9.460 1.00 20.29 O ATOM 1158 CB GLU A1092 9.092 33.872 9.453 1.00 19.00 C ATOM 1159 CG GLU A1092 10.447 33.510 10.058 1.00 19.81 C ATOM 1160 CD GLU A1092 11.414 34.673 10.171 1.00 18.98 C ATOM 1161 OE1 GLU A1092 10.990 35.843 10.223 1.00 18.94 O ATOM 1162 OE2 GLU A1092 12.605 34.406 10.236 1.00 17.64 O ATOM 1163 H GLU A1092 9.098 31.701 7.537 1.00 0.00 H ATOM 1164 N LEU A1093 6.520 32.793 7.487 1.00 20.22 N ATOM 1165 CA LEU A1093 5.239 33.064 6.874 1.00 20.91 C ATOM 1166 C LEU A1093 4.238 31.930 7.217 1.00 22.17 C ATOM 1167 O LEU A1093 4.422 30.784 6.851 1.00 23.07 O ATOM 1168 CB LEU A1093 5.357 33.120 5.367 1.00 22.26 C ATOM 1169 CG LEU A1093 4.024 33.249 4.596 1.00 22.69 C ATOM 1170 CD1 LEU A1093 3.325 34.524 4.908 1.00 23.07 C ATOM 1171 CD2 LEU A1093 4.273 33.171 3.112 1.00 23.82 C ATOM 1172 H LEU A1093 7.254 32.336 6.909 1.00 0.00 H ATOM 1173 N ASP A1094 3.178 32.273 7.927 1.00 22.05 N ATOM 1174 CA ASP A1094 2.055 31.337 8.111 1.00 21.55 C ATOM 1175 C ASP A1094 1.355 31.058 6.806 1.00 21.29 C ATOM 1176 O ASP A1094 0.915 31.973 6.107 1.00 19.04 O ATOM 1177 CB ASP A1094 1.114 31.879 9.202 1.00 22.66 C ATOM 1178 CG ASP A1094 0.043 30.849 9.579 1.00 24.30 C ATOM 1179 OD1 ASP A1094 -0.778 30.495 8.722 1.00 26.06 O ATOM 1180 OD2 ASP A1094 0.097 30.353 10.692 1.00 24.26 O ATOM 1181 H ASP A1094 3.136 33.217 8.362 1.00 0.00 H ATOM 1182 N GLU A1095 1.263 29.790 6.444 1.00 21.92 N ATOM 1183 CA GLU A1095 0.660 29.409 5.165 1.00 23.99 C ATOM 1184 C GLU A1095 -0.828 29.848 5.065 1.00 22.41 C ATOM 1185 O GLU A1095 -1.277 30.149 3.987 1.00 21.25 O ATOM 1186 CB GLU A1095 0.755 27.901 4.922 1.00 29.38 C ATOM 1187 CG GLU A1095 2.162 27.417 4.576 1.00 35.66 C ATOM 1188 CD GLU A1095 2.216 25.912 4.276 1.00 45.56 C ATOM 1189 OE1 GLU A1095 1.207 25.356 3.775 1.00 52.33 O ATOM 1190 OE2 GLU A1095 3.268 25.278 4.563 1.00 55.08 O ATOM 1191 H GLU A1095 1.625 29.050 7.079 1.00 0.00 H ATOM 1192 N ASP A1096 -1.521 29.941 6.196 1.00 21.44 N ATOM 1193 CA ASP A1096 -2.946 30.333 6.196 1.00 22.05 C ATOM 1194 C ASP A1096 -3.064 31.843 6.019 1.00 20.96 C ATOM 1195 O ASP A1096 -4.051 32.342 5.509 1.00 21.25 O ATOM 1196 CB ASP A1096 -3.636 29.918 7.484 1.00 22.05 C ATOM 1197 CG ASP A1096 -3.848 28.398 7.602 1.00 25.85 C ATOM 1198 OD1 ASP A1096 -4.053 27.722 6.599 1.00 25.69 O ATOM 1199 OD2 ASP A1096 -3.785 27.908 8.755 1.00 29.82 O ATOM 1200 H ASP A1096 -1.050 29.733 7.100 1.00 0.00 H ATOM 1201 N PHE A1097 -2.033 32.582 6.453 1.00 20.29 N ATOM 1202 CA PHE A1097 -1.976 34.010 6.248 1.00 19.16 C ATOM 1203 C PHE A1097 -1.786 34.305 4.736 1.00 19.29 C ATOM 1204 O PHE A1097 -2.512 35.126 4.116 1.00 18.09 O ATOM 1205 CB PHE A1097 -0.882 34.647 7.118 1.00 18.54 C ATOM 1206 CG PHE A1097 -0.770 36.135 6.915 1.00 18.80 C ATOM 1207 CD1 PHE A1097 -1.608 37.010 7.603 1.00 19.88 C ATOM 1208 CD2 PHE A1097 0.067 36.646 5.919 1.00 19.56 C ATOM 1209 CE1 PHE A1097 -1.545 38.379 7.370 1.00 19.39 C ATOM 1210 CE2 PHE A1097 0.138 38.002 5.680 1.00 19.66 C ATOM 1211 CZ PHE A1097 -0.679 38.869 6.410 1.00 19.34 C ATOM 1212 H PHE A1097 -1.251 32.113 6.952 1.00 0.00 H ATOM 1213 N GLU A1098 -0.847 33.617 4.122 1.00 19.16 N ATOM 1214 CA GLU A1098 -0.696 33.752 2.688 1.00 19.66 C ATOM 1215 C GLU A1098 -1.940 33.348 1.912 1.00 20.54 C ATOM 1216 O GLU A1098 -2.299 33.993 0.941 1.00 20.19 O ATOM 1217 CB GLU A1098 0.491 32.925 2.214 1.00 20.31 C ATOM 1218 CG GLU A1098 0.758 32.933 0.718 1.00 20.79 C ATOM 1219 CD GLU A1098 1.030 34.295 0.067 1.00 21.34 C ATOM 1220 OE1 GLU A1098 1.261 35.267 0.776 1.00 21.65 O ATOM 1221 OE2 GLU A1098 1.013 34.403 -1.203 1.00 23.31 O ATOM 1222 H GLU A1098 -0.221 32.984 4.660 1.00 0.00 H ATOM 1223 N GLN A1099 -2.575 32.248 2.315 1.00 21.60 N ATOM 1224 CA GLN A1099 -3.777 31.801 1.633 1.00 22.96 C ATOM 1225 C GLN A1099 -4.872 32.865 1.693 1.00 21.94 C ATOM 1226 O GLN A1099 -5.501 33.154 0.697 1.00 23.16 O ATOM 1227 CB GLN A1099 -4.272 30.462 2.189 1.00 23.99 C ATOM 1228 CG GLN A1099 -5.454 29.904 1.403 1.00 26.63 C ATOM 1229 CD GLN A1099 -5.083 29.507 0.003 1.00 28.92 C ATOM 1230 OE1 GLN A1099 -3.979 29.071 -0.209 1.00 31.71 O ATOM 1231 NE2 GLN A1099 -5.993 29.645 -0.953 1.00 30.62 N ATOM 1232 HE22 GLN A1099 -6.933 30.026 -0.725 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -5.766 29.372 -1.931 1.00 0.00 H ATOM 1234 H GLN A1099 -2.208 31.706 3.123 1.00 0.00 H ATOM 1235 N LEU A1100 -5.033 33.501 2.830 1.00 21.08 N ATOM 1236 CA LEU A1100 -5.971 34.598 2.978 1.00 21.35 C ATOM 1237 C LEU A1100 -5.664 35.729 2.002 1.00 22.05 C ATOM 1238 O LEU A1100 -6.560 36.287 1.308 1.00 22.44 O ATOM 1239 CB LEU A1100 -5.955 35.128 4.409 1.00 21.32 C ATOM 1240 CG LEU A1100 -6.867 36.309 4.776 1.00 22.01 C ATOM 1241 CD1 LEU A1100 -8.311 35.975 4.361 1.00 23.95 C ATOM 1242 CD2 LEU A1100 -6.822 36.680 6.244 1.00 22.42 C ATOM 1243 H LEU A1100 -4.469 33.208 3.653 1.00 0.00 H ATOM 1244 N CYS A1101 -4.394 36.110 1.961 1.00 21.41 N ATOM 1245 CA CYS A1101 -3.974 37.219 1.114 1.00 21.75 C ATOM 1246 C CYS A1101 -4.325 36.884 -0.295 1.00 22.34 C ATOM 1247 O CYS A1101 -4.816 37.738 -1.023 1.00 23.86 O ATOM 1248 CB CYS A1101 -2.451 37.493 1.216 1.00 20.99 C ATOM 1249 SG CYS A1101 -1.954 38.276 2.753 1.00 20.31 S ATOM 1250 H CYS A1101 -3.689 35.611 2.541 1.00 0.00 H ATOM 1251 N GLU A1102 -4.065 35.650 -0.689 1.00 23.68 N ATOM 1252 CA GLU A1102 -4.279 35.266 -2.074 1.00 25.87 C ATOM 1253 C GLU A1102 -5.783 35.285 -2.397 1.00 28.20 C ATOM 1254 O GLU A1102 -6.194 35.617 -3.526 1.00 27.48 O ATOM 1255 CB GLU A1102 -3.668 33.899 -2.367 1.00 27.83 C ATOM 1256 CG GLU A1102 -2.132 33.893 -2.182 1.00 28.69 C ATOM 1257 CD GLU A1102 -1.425 32.619 -2.562 1.00 30.40 C ATOM 1258 OE1 GLU A1102 -2.115 31.808 -3.170 1.00 33.24 O ATOM 1259 OE2 GLU A1102 -0.168 32.463 -2.319 1.00 30.88 O ATOM 1260 H GLU A1102 -3.706 34.952 -0.006 1.00 0.00 H ATOM 1261 N GLU A1103 -6.613 34.936 -1.406 1.00 27.21 N ATOM 1262 CA GLU A1103 -8.056 34.855 -1.650 1.00 28.14 C ATOM 1263 C GLU A1103 -8.634 36.259 -1.738 1.00 28.69 C ATOM 1264 O GLU A1103 -9.485 36.498 -2.567 1.00 30.38 O ATOM 1265 CB GLU A1103 -8.756 33.963 -0.575 1.00 26.86 C ATOM 1266 CG GLU A1103 -8.471 32.486 -0.829 1.00 27.44 C ATOM 1267 CD GLU A1103 -9.086 31.485 0.148 1.00 27.64 C ATOM 1268 OE1 GLU A1103 -9.912 31.888 1.002 1.00 25.15 O ATOM 1269 OE2 GLU A1103 -8.713 30.270 0.029 1.00 28.37 O ATOM 1270 H GLU A1103 -6.233 34.722 -0.462 1.00 0.00 H ATOM 1271 N ILE A1104 -8.169 37.193 -0.909 1.00 27.23 N ATOM 1272 CA ILE A1104 -8.590 38.572 -1.013 1.00 28.77 C ATOM 1273 C ILE A1104 -8.181 39.131 -2.396 1.00 33.57 C ATOM 1274 O ILE A1104 -9.019 39.662 -3.137 1.00 34.68 O ATOM 1275 CB ILE A1104 -8.024 39.437 0.098 1.00 28.44 C ATOM 1276 CG1 ILE A1104 -8.467 38.955 1.475 1.00 26.00 C ATOM 1277 CG2 ILE A1104 -8.449 40.889 -0.106 1.00 30.63 C ATOM 1278 CD1 ILE A1104 -7.626 39.530 2.586 1.00 24.81 C ATOM 1279 H ILE A1104 -7.488 36.924 -0.171 1.00 0.00 H ATOM 1280 N GLN A1105 -6.925 38.919 -2.793 1.00 34.10 N ATOM 1281 CA GLN A1105 -6.458 39.385 -4.109 1.00 38.23 C ATOM 1282 C GLN A1105 -7.312 38.817 -5.244 1.00 41.48 C ATOM 1283 O GLN A1105 -7.718 39.553 -6.126 1.00 41.92 O ATOM 1284 CB GLN A1105 -4.967 39.041 -4.352 1.00 36.57 C ATOM 1285 CG GLN A1105 -4.473 39.218 -5.787 1.00 38.80 C ATOM 1286 CD GLN A1105 -3.051 38.743 -5.950 1.00 39.51 C ATOM 1287 OE1 GLN A1105 -2.770 37.555 -5.794 1.00 40.78 O ATOM 1288 NE2 GLN A1105 -2.127 39.668 -6.258 1.00 39.47 N ATOM 1289 HE22 GLN A1105 -2.407 40.662 -6.381 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -1.131 39.390 -6.373 1.00 0.00 H ATOM 1291 H GLN A1105 -6.266 38.417 -2.164 1.00 0.00 H ATOM 1292 N GLU A1106 -7.532 37.502 -5.245 1.00 47.18 N ATOM 1293 CA GLU A1106 -8.373 36.851 -6.252 1.00 50.76 C ATOM 1294 C GLU A1106 -9.821 37.385 -6.272 1.00 55.22 C ATOM 1295 O GLU A1106 -10.491 37.292 -7.313 1.00 55.73 O ATOM 1296 CB GLU A1106 -8.415 35.346 -6.042 1.00 55.11 C ATOM 1297 CG GLU A1106 -7.204 34.585 -6.552 1.00 61.41 C ATOM 1298 CD GLU A1106 -7.313 33.096 -6.246 1.00 68.71 C ATOM 1299 OE1 GLU A1106 -7.118 32.714 -5.073 1.00 70.96 O ATOM 1300 OE2 GLU A1106 -7.614 32.303 -7.177 1.00 77.74 O ATOM 1301 H GLU A1106 -7.091 36.919 -4.505 1.00 0.00 H ATOM 1302 N SER A1107 -10.291 37.944 -5.151 1.00 52.87 N ATOM 1303 CA SER A1107 -11.630 38.559 -5.091 1.00 56.72 C ATOM 1304 C SER A1107 -11.725 39.990 -5.648 1.00 59.27 C ATOM 1305 O SER A1107 -12.813 40.560 -5.666 1.00 59.16 O ATOM 1306 CB SER A1107 -12.198 38.544 -3.657 1.00 51.07 C ATOM 1307 OG SER A1107 -11.718 39.639 -2.873 1.00 49.53 O ATOM 1308 HG SER A1107 -12.107 39.588 -1.964 1.00 0.00 H ATOM 1309 H SER A1107 -9.696 37.945 -4.298 1.00 0.00 H ATOM 1310 N ARG A1108 -10.612 40.568 -6.080 1.00 61.61 N ATOM 1311 CA ARG A1108 -10.619 41.935 -6.604 1.00 67.76 C ATOM 1312 C ARG A1108 -10.313 41.983 -8.105 1.00 69.86 C ATOM 1313 O ARG A1108 -10.480 43.048 -8.679 1.00 74.63 O ATOM 1314 CB ARG A1108 -9.632 42.812 -5.821 1.00 66.50 C ATOM 1315 CG ARG A1108 -9.919 42.821 -4.327 1.00 66.86 C ATOM 1316 CD ARG A1108 -8.959 43.702 -3.541 1.00 63.68 C ATOM 1317 NE ARG A1108 -9.464 43.900 -2.183 1.00 62.07 N ATOM 1318 CZ ARG A1108 -8.838 44.591 -1.227 1.00 59.50 C ATOM 1319 NH1 ARG A1108 -7.662 45.175 -1.485 1.00 62.90 N ATOM 1320 NH2 ARG A1108 -9.379 44.698 -0.009 1.00 50.56 N ATOM 1321 OXT ARG A1108 -9.902 41.019 -8.777 1.00 68.59 O ATOM 1322 HE ARG A1108 -10.380 43.470 -1.944 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -7.174 45.713 -0.741 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -7.236 45.091 -2.430 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -8.888 45.237 0.733 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -10.291 44.242 0.197 1.00 0.00 H ATOM 1327 H ARG A1108 -9.717 40.040 -6.046 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 6.308 33.953 -6.775 1.00 36.33 O HETATM 1330 O HOH 2 19.665 44.365 -8.235 1.00 29.24 O HETATM 1331 O HOH 3 1.479 38.657 13.731 1.00 16.78 O HETATM 1332 O HOH 4 2.158 27.722 8.264 1.00 30.31 O HETATM 1333 O HOH 5 23.926 45.109 2.218 1.00 27.00 O HETATM 1334 O HOH 6 -0.135 29.351 1.652 1.00 34.88 O HETATM 1335 O HOH 7 2.735 46.133 -0.668 1.00 16.42 O HETATM 1336 O HOH 8 10.286 36.985 -11.324 1.00 27.76 O HETATM 1337 O HOH 9 12.760 36.029 -12.411 1.00 33.57 O HETATM 1338 O HOH 10 17.952 37.907 9.666 1.00 34.85 O HETATM 1339 O HOH 11 27.805 34.785 -1.471 1.00 26.66 O HETATM 1340 O HOH 12 -11.442 35.133 -3.213 1.00 43.64 O HETATM 1341 O HOH 13 -4.350 27.497 3.930 1.00 36.95 O HETATM 1342 O HOH 14 14.669 42.022 -16.645 1.00 30.62 O HETATM 1343 O HOH 15 -0.469 46.159 0.358 1.00 25.91 O HETATM 1344 O HOH 16 18.072 44.514 -11.453 1.00 25.66 O HETATM 1345 O HOH 17 27.230 42.792 -2.545 1.00 27.93 O HETATM 1346 O HOH 18 24.654 31.140 -3.322 1.00 33.56 O HETATM 1347 O HOH 19 26.311 41.180 7.088 1.00 31.86 O HETATM 1348 O HOH 20 -2.168 28.775 10.779 1.00 42.99 O HETATM 1349 O HOH 21 35.994 32.097 -11.449 1.00 27.13 O HETATM 1350 O HOH 22 38.178 33.669 -15.802 1.00 31.69 O HETATM 1351 O HOH 23 5.644 28.911 5.569 1.00 42.34 O HETATM 1352 O HOH 24 20.325 40.108 8.016 1.00 37.53 O HETATM 1353 O HOH 25 29.020 42.024 -16.782 1.00 56.96 O HETATM 1354 O HOH 26 29.544 44.247 0.848 1.00 42.27 O HETATM 1355 O HOH 27 2.759 29.885 1.884 1.00 33.76 O HETATM 1356 O HOH 28 11.688 45.159 11.797 1.00 20.23 O HETATM 1357 O HOH 29 34.975 32.287 -9.077 1.00 24.16 O HETATM 1358 O HOH 30 -0.298 36.169 -5.844 1.00 33.73 O HETATM 1359 O HOH 31 18.034 48.803 0.035 1.00 41.69 O HETATM 1360 O HOH 32 13.325 52.667 -0.753 1.00 41.33 O HETATM 1361 O HOH 33 14.116 32.312 10.120 1.00 34.76 O HETATM 1362 O HOH 34 15.124 33.798 -9.880 1.00 32.87 O HETATM 1363 O HOH 35 -4.079 48.079 4.321 1.00 36.99 O HETATM 1364 O HOH 36 -5.264 33.918 7.582 1.00 27.01 O HETATM 1365 O HOH 37 15.026 52.465 -6.041 1.00 46.73 O HETATM 1366 O HOH 38 -0.846 36.626 11.536 1.00 27.43 O HETATM 1367 O HOH 39 11.221 46.543 9.056 1.00 33.03 O HETATM 1368 O HOH 40 -14.779 41.521 1.800 1.00 49.87 O HETATM 1369 O HOH 41 15.890 41.940 -19.019 1.00 38.66 O HETATM 1370 O HOH 42 20.225 38.056 5.253 1.00 34.58 O HETATM 1371 O HOH 43 5.589 40.977 -8.385 1.00 39.31 O HETATM 1372 O HOH 44 -11.640 42.454 -1.544 1.00 50.82 O HETATM 1373 O HOH 45 21.742 33.611 4.481 1.00 29.75 O HETATM 1374 O HOH 46 -6.458 26.234 7.334 1.00 48.89 O HETATM 1375 O HOH 47 32.909 42.343 -2.694 1.00 41.83 O HETATM 1376 O HOH 48 9.083 34.797 -10.944 1.00 38.80 O HETATM 1377 O HOH 49 1.106 32.006 12.679 1.00 34.54 O HETATM 1378 O HOH 50 8.010 43.888 -10.924 1.00 46.50 O HETATM 1379 O HOH 51 18.991 36.638 7.182 1.00 45.47 O HETATM 1380 O HOH 52 -4.505 31.045 -4.387 1.00 44.14 O HETATM 1381 O HOH 53 7.951 40.617 -10.742 1.00 56.38 O HETATM 1382 O HOH 54 9.624 29.458 0.904 1.00 34.22 O HETATM 1383 O HOH 55 9.619 51.828 4.448 1.00 41.10 O HETATM 1384 O HOH 56 16.457 48.515 -9.665 1.00 33.49 O HETATM 1385 O HOH 57 17.286 32.655 -10.780 1.00 49.73 O HETATM 1386 O HOH 58 7.470 47.285 -10.730 1.00 41.15 O HETATM 1387 O HOH 59 21.616 42.539 -11.998 1.00 28.78 O HETATM 1388 O HOH 60 18.360 34.705 -15.482 1.00 39.13 O HETATM 1389 O HOH 61 12.308 48.372 7.586 1.00 50.95 O HETATM 1390 O HOH 62 7.142 54.284 -1.735 1.00 36.05 O HETATM 1391 O HOH 63 8.974 54.026 0.444 1.00 35.70 O HETATM 1392 O HOH 64 28.780 41.164 -6.447 1.00 42.21 O HETATM 1393 O HOH 65 21.665 48.329 3.557 1.00 43.05 O HETATM 1394 O HOH 66 0.230 52.483 -5.526 1.00 60.56 O HETATM 1395 O HOH 67 3.384 43.118 -7.735 1.00 56.37 O HETATM 1396 O HOH 68 31.161 40.605 -8.310 1.00 43.34 O HETATM 1397 O HOH 69 13.570 27.762 6.028 1.00 37.59 O HETATM 1398 O HOH 70 14.116 43.137 9.923 1.00 36.75 O HETATM 1399 O HOH 71 -3.501 50.673 6.114 1.00 49.43 O HETATM 1400 O HOH 72 19.838 49.747 2.027 1.00 49.70 O HETATM 1401 O HOH 73 23.064 50.419 -0.341 1.00 48.89 O HETATM 1402 O HOH 74 29.706 44.024 -6.556 1.00 49.21 O HETATM 1403 O HOH 75 23.767 40.855 8.757 1.00 61.65 O HETATM 1404 O HOH 76 17.241 32.993 -13.769 1.00 46.13 O HETATM 1405 O HOH 77 11.738 25.640 7.703 1.00 57.91 O HETATM 1406 O HOH 78 25.012 29.474 -6.514 1.00 46.74 O HETATM 1407 O HOH 79 21.536 28.586 -4.876 1.00 51.98 O HETATM 1408 O HOH 80 -7.788 40.765 9.794 1.00 61.94 O HETATM 1409 O HOH 81 26.921 38.469 5.627 1.00 57.24 O HETATM 1410 O HOH 82 25.257 46.216 6.115 1.00 58.74 O HETATM 1411 O HOH 83 30.515 29.997 -14.887 1.00 43.85 O HETATM 1412 O HOH 84 -13.165 36.102 -4.993 1.00 48.81 O HETATM 1413 O HOH 85 25.722 51.286 -10.082 1.00 48.00 O HETATM 1414 O HOH 86 0.254 45.778 -7.656 1.00 49.11 O HETATM 1415 O HOH 87 -0.388 39.177 -9.653 1.00 60.38 O HETATM 1416 O HOH 88 -7.139 42.917 12.831 1.00 46.95 O HETATM 1417 O HOH 89 -3.061 46.784 -0.303 1.00 36.49 O HETATM 1418 O HOH 90 1.452 34.389 11.461 1.00 51.40 O HETATM 1419 O HOH 91 11.155 27.370 -0.038 1.00 45.94 O HETATM 1420 O HOH 92 20.415 33.405 -16.845 1.00 51.49 O HETATM 1421 O HOH 93 -9.539 42.879 11.574 1.00 60.73 O HETATM 1422 O HOH 94 23.240 48.120 7.886 1.00 55.71 O HETATM 1423 O HOH 95 -4.297 49.926 -1.280 1.00 52.70 O HETATM 1424 O HOH 96 38.502 26.003 -15.408 1.00 27.56 O HETATM 1425 O HOH 97 35.074 29.042 -19.755 1.00 48.31 O HETATM 1426 O HOH 98 32.790 32.004 -19.671 1.00 52.55 O HETATM 1427 O HOH 99 29.774 34.246 -20.709 1.00 54.57 O HETATM 1428 O HOH 100 28.757 30.791 -8.197 1.00 44.17 O HETATM 1429 O HOH 101 33.963 29.642 -8.797 1.00 38.65 O HETATM 1430 O HOH 102 25.737 31.084 0.411 1.00 36.04 O HETATM 1431 O HOH 103 26.933 33.158 0.632 1.00 28.88 O HETATM 1432 O HOH 104 15.426 47.926 4.736 1.00 47.21 O HETATM 1433 O HOH 105 13.813 51.639 4.314 1.00 53.30 O HETATM 1434 O HOH 106 15.171 51.645 1.174 1.00 52.39 O HETATM 1435 O HOH 107 9.865 50.554 -7.972 1.00 47.41 O HETATM 1436 O HOH 108 15.598 38.705 -15.349 1.00 30.30 O HETATM 1437 O HOH 109 12.980 37.966 -16.353 1.00 46.36 O HETATM 1438 O HOH 110 13.069 33.483 -12.163 1.00 44.95 O HETATM 1439 O HOH 111 16.811 36.212 -17.283 1.00 44.77 O HETATM 1440 O HOH 112 13.952 50.652 -16.624 1.00 51.62 O HETATM 1441 O HOH 113 8.950 44.987 11.822 1.00 16.53 O HETATM 1442 O HOH 114 8.457 45.726 9.306 1.00 13.59 O HETATM 1443 O HOH 115 8.227 42.305 12.297 1.00 17.83 O HETATM 1444 O HOH 116 9.173 39.464 9.256 1.00 37.79 O HETATM 1445 O HOH 117 8.905 27.445 11.307 1.00 47.97 O HETATM 1446 O HOH 118 15.824 28.625 0.379 1.00 25.25 O HETATM 1447 O HOH 119 13.584 27.474 1.379 1.00 33.22 O HETATM 1448 O HOH 120 14.367 26.424 3.732 1.00 43.10 O HETATM 1449 O HOH 121 16.880 26.388 3.967 1.00 49.50 O HETATM 1450 O HOH 122 18.145 27.732 1.594 1.00 45.86 O HETATM 1451 O HOH 123 21.943 31.209 1.067 1.00 43.94 O HETATM 1452 O HOH 124 19.002 30.374 4.549 1.00 46.89 O HETATM 1453 O HOH 125 15.838 28.697 7.733 1.00 55.47 O HETATM 1454 O HOH 126 20.060 42.290 -9.747 1.00 27.23 O HETATM 1455 O HOH 127 20.955 46.409 -8.202 1.00 35.18 O HETATM 1456 O HOH 128 18.908 47.933 -10.761 1.00 52.01 O HETATM 1457 O HOH 129 18.926 49.836 -13.050 1.00 50.70 O HETATM 1458 O HOH 130 11.543 48.883 -15.952 1.00 41.14 O HETATM 1459 O HOH 131 4.248 44.898 -9.461 1.00 54.06 O HETATM 1460 O HOH 132 5.703 49.920 -9.062 1.00 63.14 O HETATM 1461 O HOH 133 -1.227 53.650 -1.949 1.00 53.02 O HETATM 1462 O HOH 134 5.042 55.390 -0.569 1.00 37.65 O HETATM 1463 O HOH 135 3.109 57.068 -1.237 1.00 47.43 O HETATM 1464 O HOH 136 -6.696 44.497 -5.793 1.00 49.03 O HETATM 1465 O HOH 137 0.351 41.905 -5.419 1.00 31.06 O HETATM 1466 O HOH 138 8.509 34.023 -8.265 1.00 44.32 O HETATM 1467 O HOH 139 6.458 31.695 -4.963 1.00 60.22 O HETATM 1468 O HOH 140 8.317 27.846 -2.282 1.00 54.50 O HETATM 1469 O HOH 141 5.178 29.520 3.344 1.00 51.88 O HETATM 1470 O HOH 142 -1.233 29.907 -0.271 1.00 40.71 O HETATM 1471 O HOH 143 -9.299 28.626 -2.331 1.00 42.10 O HETATM 1472 O HOH 144 -8.180 26.372 -1.728 1.00 45.23 O HETATM 1473 O HOH 145 -0.127 26.710 8.421 1.00 50.88 O HETATM 1474 O HOH 146 2.343 28.525 11.243 1.00 57.08 O HETATM 1475 O HOH 147 3.446 31.308 14.044 1.00 47.86 O HETATM 1476 O HOH 148 6.003 28.861 8.407 1.00 48.44 O HETATM 1477 O HOH 149 18.218 33.606 7.435 1.00 48.45 O HETATM 1478 O HOH 150 16.101 31.354 7.467 1.00 49.91 O HETATM 1479 O HOH 151 24.309 33.055 -15.472 1.00 53.74 O HETATM 1480 O HOH 152 23.104 35.963 -20.183 1.00 44.39 O HETATM 1481 O HOH 153 -2.475 47.137 11.406 1.00 52.33 O HETATM 1482 O HOH 154 25.508 50.144 -3.399 1.00 48.35 O HETATM 1483 O HOH 155 28.375 47.196 -3.584 1.00 56.16 O HETATM 1484 O HOH 156 29.486 44.343 -2.172 1.00 46.26 O HETATM 1485 O HOH 157 31.898 43.309 -4.660 1.00 51.15 O HETATM 1486 O HOH 158 32.021 42.053 -11.800 1.00 57.82 O HETATM 1487 O HOH 159 26.195 44.262 -21.577 1.00 60.30 O HETATM 1488 O HOH 160 24.216 39.195 -20.855 1.00 60.83 O HETATM 1489 O HOH 161 25.638 41.229 -20.025 1.00 57.09 O HETATM 1490 O HOH 162 28.748 51.273 -6.326 1.00 58.05 O HETATM 1491 O HOH 163 25.818 46.443 3.468 1.00 43.91 O HETATM 1492 O HOH 164 28.636 46.004 3.016 1.00 55.11 O HETATM 1493 O HOH 165 17.317 35.787 9.492 1.00 40.44 O HETATM 1494 O HOH 166 14.605 24.643 -0.809 1.00 60.81 O HETATM 1495 O HOH 167 0.480 51.744 -11.053 1.00 64.78 O HETATM 1496 O HOH 168 9.739 34.555 -15.757 1.00 56.66 O HETATM 1497 O HOH 169 19.696 54.106 -11.447 1.00 51.86 O HETATM 1498 O HOH 170 17.700 48.775 5.392 1.00 57.21 O HETATM 1499 O HOH 171 11.514 49.918 5.266 1.00 47.65 O HETATM 1500 O HOH 172 2.820 51.612 12.778 1.00 36.29 O HETATM 1501 O HOH 173 -13.316 41.220 6.418 1.00 61.67 O HETATM 1502 O HOH 174 -8.728 38.699 -10.231 1.00 70.95 O HETATM 1503 O HOH 175 -12.365 39.569 -0.378 1.00 41.44 O HETATM 1504 O HOH 176 -10.333 33.226 -4.181 1.00 51.10 O HETATM 1505 O HOH 177 -5.971 28.977 -3.897 1.00 46.81 O HETATM 1506 O HOH 178 11.037 27.797 -5.948 1.00 62.56 O HETATM 1507 O HOH 179 12.542 48.835 -10.413 1.00 53.69 O HETATM 1508 O HOH 180 -9.041 39.848 6.277 1.00 44.59 O HETATM 1509 O HOH 181 16.147 41.332 -23.370 1.00 53.90 O HETATM 1510 O HOH 182 11.499 54.125 0.692 1.00 48.07 O HETATM 1511 O HOH 183 13.000 53.380 -4.917 1.00 49.65 O HETATM 1512 O HOH 184 -0.637 55.192 -4.234 1.00 61.54 O HETATM 1513 O HOH 185 0.361 54.022 -0.546 1.00 56.26 O HETATM 1514 O HOH 186 3.874 29.825 -7.327 1.00 60.42 O HETATM 1515 O HOH 187 8.872 39.007 -12.863 1.00 45.29 O HETATM 1516 O HOH 188 14.147 34.736 -16.482 1.00 51.13 O HETATM 1517 O HOH 189 26.075 31.457 -16.683 1.00 52.12 O HETATM 1518 O HOH 190 36.437 38.738 -12.736 1.00 43.13 O HETATM 1519 O HOH 191 38.192 38.304 -15.154 1.00 56.21 O HETATM 1520 O HOH 192 26.571 29.966 -8.350 1.00 61.63 O HETATM 1521 O HOH 193 22.584 29.923 -0.601 1.00 48.17 O HETATM 1522 O HOH 194 23.514 31.651 2.796 1.00 47.16 O HETATM 1523 O HOH 195 19.437 30.069 2.447 1.00 51.79 O HETATM 1524 O HOH 196 18.256 27.938 5.791 1.00 48.52 O HETATM 1525 O HOH 197 -2.364 25.638 6.950 1.00 62.86 O HETATM 1526 O HOH 198 22.199 51.057 -17.717 1.00 54.91 O HETATM 1527 O HOH 199 8.913 45.917 -12.944 1.00 48.65 O HETATM 1528 O HOH 200 11.970 41.486 -16.844 1.00 45.93 O HETATM 1529 O HOH 201 32.447 43.398 -18.614 1.00 56.75 O HETATM 1530 OAC UNN A 202 28.418 44.278 -12.359 1.00 -0.39 O HETATM 1531 CAM UNN A 202 27.317 44.444 -11.839 1.00 0.29 C HETATM 1532 NAI UNN A 202 26.326 43.547 -12.169 1.00 -0.18 N HETATM 1533 CAL UNN A 202 25.040 43.654 -11.627 1.00 0.24 C HETATM 1534 OAB UNN A 202 24.258 42.790 -11.984 1.00 -0.37 O HETATM 1535 CAK UNN A 202 24.745 44.654 -10.710 1.00 0.05 C HETATM 1536 CAA UNN A 202 23.474 44.801 -10.119 1.00 -0.09 C HETATM 1537 H UNN A 202 23.295 45.603 -9.405 1.00 0.05 H HETATM 1538 H UNN A 202 22.671 44.112 -10.377 1.00 0.05 H HETATM 1539 CAE UNN A 202 25.766 45.551 -10.380 1.00 0.08 C HETATM 1540 NAP UNN A 202 27.056 45.428 -10.961 1.00 -0.22 N HETATM 1541 CAO UNN A 202 28.112 46.396 -10.595 1.00 0.15 C HETATM 1542 OAJ UNN A 202 28.100 46.576 -9.175 1.00 -0.35 O HETATM 1543 CAN UNN A 202 28.465 47.944 -8.945 1.00 0.08 C HETATM 1544 CAG UNN A 202 28.576 48.590 -10.348 1.00 -0.02 C HETATM 1545 CAH UNN A 202 27.750 47.700 -11.186 1.00 -0.00 C HETATM 1546 H UNN A 202 26.677 47.915 -11.078 1.00 0.03 H HETATM 1547 H UNN A 202 28.031 47.761 -12.248 1.00 0.03 H HETATM 1548 H UNN A 202 28.176 49.615 -10.345 1.00 0.03 H HETATM 1549 H UNN A 202 29.620 48.605 -10.695 1.00 0.03 H HETATM 1550 CAF UNN A 202 27.449 48.646 -8.034 1.00 0.07 C HETATM 1551 OAD UNN A 202 26.235 48.774 -8.813 1.00 -0.39 O HETATM 1552 H UNN A 202 26.412 49.289 -9.591 1.00 0.21 H HETATM 1553 H UNN A 202 27.821 49.639 -7.740 1.00 0.06 H HETATM 1554 H UNN A 202 27.263 48.043 -7.133 1.00 0.06 H HETATM 1555 H UNN A 202 29.448 47.984 -8.452 1.00 0.06 H HETATM 1556 H UNN A 202 29.098 46.055 -10.945 1.00 0.09 H HETATM 1557 H UNN A 202 25.904 45.483 -9.291 1.00 0.07 H HETATM 1558 H UNN A 202 25.399 46.555 -10.641 1.00 0.07 H HETATM 1559 H UNN A 202 26.529 42.805 -12.808 1.00 0.22 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1530 1531 CONECT 1531 1530 1532 1540 CONECT 1532 1531 1533 1559 CONECT 1533 1532 1534 1535 CONECT 1534 1533 CONECT 1535 1533 1536 1539 CONECT 1536 1535 1537 1538 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1535 1540 1557 1558 CONECT 1540 1531 1539 1541 CONECT 1541 1540 1542 1545 1556 CONECT 1542 1541 1543 CONECT 1543 1542 1544 1550 1555 CONECT 1544 1543 1545 1548 1549 CONECT 1545 1541 1544 1546 1547 CONECT 1546 1545 CONECT 1547 1545 CONECT 1548 1544 CONECT 1549 1544 CONECT 1550 1543 1551 1553 1554 CONECT 1551 1550 1552 CONECT 1552 1551 CONECT 1553 1550 CONECT 1554 1550 CONECT 1555 1543 CONECT 1556 1541 CONECT 1557 1539 CONECT 1558 1539 CONECT 1559 1532 MASTER 0 0 0 0 0 0 0 0 1558 1 34 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4qsx
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... *
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_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
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4qsx
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
38S
EC.Number
E.C.3.6.1.3
Resolution
1.93(Å)
Affinity (Kd/Ki/IC50)
Kd=18mM
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
4
Molecular Weight
226.229
Exact Mass
226.095
No. of atoms
30
No. of bonds
31
Polar Surface Area
78.87
LOGP Value
-0.61 (
Computed with XLOGP3
)
-0.14 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 2
Canonical SMILES
OC[C@@H]1CC[C@@H](O1)N1CC(=C)C(=O)NC1=O
InChI String
InChI=1S/C10H14N2O4/c1-6-4-12(10(15)11-9(6)14)8-3-2-7(5-13)16-8/h7-8,13H,1-5H2,(H,11,14,15)/t7-,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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