Browse entries in the PDBbind-CN Database
HEADER 4QSW_COMPLEX COMPND 4QSW_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 374 32 ATOM 1 N SER A 979 -12.823 45.967 3.028 1.00 51.66 N ATOM 2 CA SER A 979 -13.047 45.627 4.452 1.00 54.50 C ATOM 3 C SER A 979 -11.949 46.266 5.315 1.00 56.01 C ATOM 4 O SER A 979 -10.771 46.228 4.949 1.00 44.80 O ATOM 5 CB SER A 979 -13.037 44.101 4.601 1.00 53.86 C ATOM 6 OG SER A 979 -12.971 43.681 5.948 1.00 56.18 O ATOM 7 HG SER A 979 -12.967 42.692 5.984 1.00 0.00 H ATOM 8 HN3 SER A 979 -11.895 45.606 2.729 1.00 0.00 H ATOM 9 HN2 SER A 979 -12.849 47.000 2.911 1.00 0.00 H ATOM 10 HN1 SER A 979 -13.569 45.532 2.448 1.00 0.00 H ATOM 11 N MET A 980 -12.337 46.869 6.445 1.00 59.57 N ATOM 12 CA MET A 980 -11.352 47.292 7.460 1.00 61.30 C ATOM 13 C MET A 980 -10.488 46.112 7.895 1.00 52.27 C ATOM 14 O MET A 980 -9.281 46.259 8.116 1.00 44.49 O ATOM 15 CB MET A 980 -12.035 47.883 8.704 1.00 73.07 C ATOM 16 CG MET A 980 -11.639 49.319 9.013 1.00 85.39 C ATOM 17 SD MET A 980 -12.619 50.058 10.342 1.00105.59 S ATOM 18 CE MET A 980 -12.562 48.789 11.613 1.00103.41 C ATOM 19 H MET A 980 -13.349 47.042 6.611 1.00 0.00 H ATOM 20 N GLN A 981 -11.117 44.947 8.039 1.00 48.82 N ATOM 21 CA GLN A 981 -10.375 43.748 8.388 1.00 46.42 C ATOM 22 C GLN A 981 -9.410 43.392 7.270 1.00 38.63 C ATOM 23 O GLN A 981 -8.305 42.938 7.574 1.00 34.61 O ATOM 24 CB GLN A 981 -11.278 42.550 8.690 1.00 52.33 C ATOM 25 CG GLN A 981 -12.171 42.731 9.909 1.00 58.12 C ATOM 26 CD GLN A 981 -13.387 43.615 9.634 1.00 62.93 C ATOM 27 OE1 GLN A 981 -13.726 43.910 8.476 1.00 61.92 O ATOM 28 NE2 GLN A 981 -14.046 44.052 10.707 1.00 66.96 N ATOM 29 HE22 GLN A 981 -13.728 43.780 11.659 1.00 0.00 H ATOM 30 HE21 GLN A 981 -14.879 44.664 10.592 1.00 0.00 H ATOM 31 H GLN A 981 -12.146 44.895 7.901 1.00 0.00 H ATOM 32 N GLU A 982 -9.806 43.589 6.004 1.00 32.08 N ATOM 33 CA GLU A 982 -8.865 43.286 4.915 1.00 29.13 C ATOM 34 C GLU A 982 -7.740 44.281 4.933 1.00 25.69 C ATOM 35 O GLU A 982 -6.609 43.918 4.640 1.00 22.44 O ATOM 36 CB GLU A 982 -9.542 43.270 3.564 1.00 27.57 C ATOM 37 CG GLU A 982 -10.471 42.057 3.406 1.00 28.49 C ATOM 38 CD GLU A 982 -11.370 42.120 2.181 1.00 30.64 C ATOM 39 OE1 GLU A 982 -11.370 43.200 1.536 1.00 32.40 O ATOM 40 OE2 GLU A 982 -12.047 41.099 1.870 1.00 27.32 O ATOM 41 H GLU A 982 -10.759 43.949 5.796 1.00 0.00 H ATOM 42 N GLU A 983 -8.028 45.545 5.234 1.00 26.53 N ATOM 43 CA GLU A 983 -6.936 46.521 5.262 1.00 27.87 C ATOM 44 C GLU A 983 -5.915 46.189 6.378 1.00 24.31 C ATOM 45 O GLU A 983 -4.720 46.444 6.199 1.00 23.06 O ATOM 46 CB GLU A 983 -7.445 47.952 5.375 1.00 33.62 C ATOM 47 CG GLU A 983 -8.118 48.476 4.075 1.00 39.61 C ATOM 48 CD GLU A 983 -7.369 48.058 2.779 1.00 45.71 C ATOM 49 OE1 GLU A 983 -8.013 47.468 1.846 1.00 48.65 O ATOM 50 OE2 GLU A 983 -6.116 48.262 2.715 1.00 43.75 O ATOM 51 H GLU A 983 -9.005 45.833 5.444 1.00 0.00 H ATOM 52 N ASP A 984 -6.390 45.704 7.529 1.00 23.08 N ATOM 53 CA ASP A 984 -5.514 45.243 8.607 1.00 25.33 C ATOM 54 C ASP A 984 -4.604 44.082 8.111 1.00 20.93 C ATOM 55 O ASP A 984 -3.418 44.003 8.493 1.00 20.00 O ATOM 56 CB ASP A 984 -6.320 44.736 9.819 1.00 29.71 C ATOM 57 CG ASP A 984 -6.944 45.856 10.664 1.00 36.06 C ATOM 58 OD1 ASP A 984 -6.498 47.002 10.673 1.00 37.31 O ATOM 59 OD2 ASP A 984 -7.911 45.532 11.348 1.00 42.89 O ATOM 60 H ASP A 984 -7.420 45.652 7.664 1.00 0.00 H ATOM 61 N THR A 985 -5.181 43.191 7.295 1.00 19.22 N ATOM 62 CA THR A 985 -4.421 42.100 6.716 1.00 18.27 C ATOM 63 C THR A 985 -3.246 42.642 5.884 1.00 17.59 C ATOM 64 O THR A 985 -2.100 42.213 6.073 1.00 17.29 O ATOM 65 CB THR A 985 -5.303 41.144 5.890 1.00 18.26 C ATOM 66 OG1 THR A 985 -6.333 40.586 6.748 1.00 20.84 O ATOM 67 CG2 THR A 985 -4.527 40.016 5.402 1.00 19.18 C ATOM 68 HG1 THR A 985 -5.908 40.089 7.491 1.00 0.00 H ATOM 69 H THR A 985 -6.193 43.283 7.072 1.00 0.00 H ATOM 70 N PHE A 986 -3.564 43.538 4.963 1.00 17.74 N ATOM 71 CA PHE A 986 -2.516 44.096 4.108 1.00 18.43 C ATOM 72 C PHE A 986 -1.501 44.892 4.905 1.00 17.27 C ATOM 73 O PHE A 986 -0.349 44.936 4.518 1.00 17.00 O ATOM 74 CB PHE A 986 -3.100 44.856 2.918 1.00 19.68 C ATOM 75 CG PHE A 986 -3.852 43.982 1.980 1.00 21.26 C ATOM 76 CD1 PHE A 986 -3.290 42.804 1.478 1.00 22.05 C ATOM 77 CD2 PHE A 986 -5.114 44.311 1.588 1.00 22.49 C ATOM 78 CE1 PHE A 986 -3.962 42.005 0.604 1.00 23.25 C ATOM 79 CE2 PHE A 986 -5.807 43.490 0.680 1.00 23.91 C ATOM 80 CZ PHE A 986 -5.233 42.340 0.197 1.00 24.56 C ATOM 81 H PHE A 986 -4.552 43.843 4.848 1.00 0.00 H ATOM 82 N ARG A 987 -1.921 45.604 5.959 1.00 17.17 N ATOM 83 CA ARG A 987 -0.981 46.364 6.764 1.00 18.23 C ATOM 84 C ARG A 987 0.000 45.383 7.409 1.00 16.11 C ATOM 85 O ARG A 987 1.209 45.634 7.438 1.00 15.70 O ATOM 86 CB ARG A 987 -1.696 47.204 7.830 1.00 20.95 C ATOM 87 CG ARG A 987 -0.903 48.422 8.279 1.00 24.52 C ATOM 88 CD ARG A 987 -1.775 49.384 9.070 1.00 28.33 C ATOM 89 NE ARG A 987 -2.917 49.857 8.325 1.00 29.49 N ATOM 90 CZ ARG A 987 -4.178 49.488 8.563 1.00 30.94 C ATOM 91 NH1 ARG A 987 -5.143 49.985 7.822 1.00 31.50 N ATOM 92 NH2 ARG A 987 -4.478 48.626 9.530 1.00 31.00 N ATOM 93 HE ARG A 987 -2.746 50.530 7.551 1.00 0.00 H ATOM 94 HH12 ARG A 987 -6.129 49.706 7.997 1.00 0.00 H ATOM 95 HH11 ARG A 987 -4.920 50.658 7.061 1.00 0.00 H ATOM 96 HH22 ARG A 987 -5.468 48.354 9.696 1.00 0.00 H ATOM 97 HH21 ARG A 987 -3.723 48.224 10.121 1.00 0.00 H ATOM 98 H ARG A 987 -2.932 45.613 6.204 1.00 0.00 H ATOM 99 N GLU A 988 -0.505 44.286 7.938 1.00 15.94 N ATOM 100 CA GLU A 988 0.379 43.267 8.516 1.00 15.85 C ATOM 101 C GLU A 988 1.356 42.681 7.459 1.00 15.91 C ATOM 102 O GLU A 988 2.544 42.452 7.770 1.00 14.23 O ATOM 103 CB GLU A 988 -0.413 42.140 9.186 1.00 16.62 C ATOM 104 CG GLU A 988 0.484 41.017 9.688 1.00 17.09 C ATOM 105 CD GLU A 988 -0.140 40.102 10.698 1.00 18.87 C ATOM 106 OE1 GLU A 988 -1.297 40.355 11.149 1.00 19.11 O ATOM 107 OE2 GLU A 988 0.523 39.119 11.117 1.00 19.26 O ATOM 108 H GLU A 988 -1.535 44.142 7.946 1.00 0.00 H ATOM 109 N LEU A 989 0.845 42.439 6.249 1.00 15.91 N ATOM 110 CA LEU A 989 1.698 41.987 5.144 1.00 15.62 C ATOM 111 C LEU A 989 2.835 42.960 4.885 1.00 15.79 C ATOM 112 O LEU A 989 3.989 42.556 4.796 1.00 14.42 O ATOM 113 CB LEU A 989 0.900 41.791 3.855 1.00 16.75 C ATOM 114 CG LEU A 989 1.728 41.467 2.605 1.00 16.81 C ATOM 115 CD1 LEU A 989 2.299 40.079 2.711 1.00 18.32 C ATOM 116 CD2 LEU A 989 0.806 41.611 1.371 1.00 19.18 C ATOM 117 H LEU A 989 -0.174 42.573 6.087 1.00 0.00 H ATOM 118 N ARG A 990 2.512 44.251 4.811 1.00 15.19 N ATOM 119 CA ARG A 990 3.525 45.255 4.651 1.00 15.35 C ATOM 120 C ARG A 990 4.582 45.291 5.720 1.00 14.16 C ATOM 121 O ARG A 990 5.780 45.379 5.387 1.00 12.89 O ATOM 122 CB ARG A 990 2.908 46.635 4.374 1.00 15.93 C ATOM 123 CG ARG A 990 2.108 46.662 3.088 1.00 17.16 C ATOM 124 CD ARG A 990 1.718 48.114 2.780 1.00 17.83 C ATOM 125 NE ARG A 990 0.827 48.746 3.780 1.00 18.86 N ATOM 126 CZ ARG A 990 -0.511 48.673 3.782 1.00 19.81 C ATOM 127 NH1 ARG A 990 -1.186 49.318 4.725 1.00 21.89 N ATOM 128 NH2 ARG A 990 -1.164 47.953 2.875 1.00 20.10 N ATOM 129 HE ARG A 990 1.277 49.291 4.543 1.00 0.00 H ATOM 130 HH12 ARG A 990 -2.225 49.274 4.743 1.00 0.00 H ATOM 131 HH11 ARG A 990 -0.676 49.868 5.446 1.00 0.00 H ATOM 132 HH22 ARG A 990 -2.203 47.910 2.895 1.00 0.00 H ATOM 133 HH21 ARG A 990 -0.636 47.433 2.146 1.00 0.00 H ATOM 134 H ARG A 990 1.513 44.534 4.870 1.00 0.00 H ATOM 135 N ILE A 991 4.182 45.150 6.985 1.00 14.71 N ATOM 136 CA ILE A 991 5.118 45.106 8.116 1.00 15.23 C ATOM 137 C ILE A 991 6.062 43.904 7.956 1.00 14.90 C ATOM 138 O ILE A 991 7.306 44.008 8.134 1.00 15.00 O ATOM 139 CB ILE A 991 4.356 45.087 9.440 1.00 16.04 C ATOM 140 CG1 ILE A 991 3.636 46.474 9.582 1.00 18.53 C ATOM 141 CG2 ILE A 991 5.279 44.736 10.608 1.00 17.25 C ATOM 142 CD1 ILE A 991 2.573 46.523 10.630 1.00 18.96 C ATOM 143 H ILE A 991 3.163 45.068 7.179 1.00 0.00 H ATOM 144 N PHE A 992 5.474 42.750 7.657 1.00 14.27 N ATOM 145 CA PHE A 992 6.251 41.525 7.461 1.00 14.41 C ATOM 146 C PHE A 992 7.249 41.691 6.316 1.00 14.51 C ATOM 147 O PHE A 992 8.451 41.374 6.474 1.00 14.76 O ATOM 148 CB PHE A 992 5.292 40.361 7.182 1.00 15.95 C ATOM 149 CG PHE A 992 5.987 39.091 6.825 1.00 16.09 C ATOM 150 CD1 PHE A 992 6.656 38.353 7.792 1.00 18.72 C ATOM 151 CD2 PHE A 992 5.970 38.645 5.529 1.00 17.05 C ATOM 152 CE1 PHE A 992 7.330 37.191 7.472 1.00 17.96 C ATOM 153 CE2 PHE A 992 6.624 37.450 5.202 1.00 17.04 C ATOM 154 CZ PHE A 992 7.288 36.729 6.188 1.00 17.83 C ATOM 155 H PHE A 992 4.439 42.717 7.560 1.00 0.00 H ATOM 156 N LEU A 993 6.783 42.240 5.192 1.00 14.89 N ATOM 157 CA LEU A 993 7.680 42.418 4.022 1.00 14.66 C ATOM 158 C LEU A 993 8.785 43.429 4.295 1.00 14.38 C ATOM 159 O LEU A 993 9.932 43.214 3.821 1.00 15.00 O ATOM 160 CB LEU A 993 6.896 42.800 2.772 1.00 15.33 C ATOM 161 CG LEU A 993 5.926 41.730 2.241 1.00 15.42 C ATOM 162 CD1 LEU A 993 5.196 42.317 1.054 1.00 16.71 C ATOM 163 CD2 LEU A 993 6.608 40.398 1.983 1.00 15.86 C ATOM 164 H LEU A 993 5.790 42.544 5.136 1.00 0.00 H ATOM 165 N ARG A 994 8.499 44.512 5.024 1.00 14.42 N ATOM 166 CA ARG A 994 9.551 45.474 5.362 1.00 15.59 C ATOM 167 C ARG A 994 10.611 44.842 6.223 1.00 15.44 C ATOM 168 O ARG A 994 11.817 45.105 6.072 1.00 16.58 O ATOM 169 CB ARG A 994 9.042 46.723 6.084 1.00 16.80 C ATOM 170 CG ARG A 994 8.217 47.654 5.290 1.00 18.20 C ATOM 171 CD ARG A 994 7.985 48.961 6.039 1.00 18.58 C ATOM 172 NE ARG A 994 6.867 49.569 5.406 1.00 19.65 N ATOM 173 CZ ARG A 994 5.590 49.431 5.732 1.00 19.61 C ATOM 174 NH1 ARG A 994 5.180 48.856 6.856 1.00 19.60 N ATOM 175 NH2 ARG A 994 4.692 49.969 4.922 1.00 22.19 N ATOM 176 HE ARG A 994 7.074 50.190 4.598 1.00 0.00 H ATOM 177 HH12 ARG A 994 4.163 48.776 7.058 1.00 0.00 H ATOM 178 HH11 ARG A 994 5.876 48.486 7.534 1.00 0.00 H ATOM 179 HH22 ARG A 994 3.679 49.885 5.140 1.00 0.00 H ATOM 180 HH21 ARG A 994 5.000 50.476 4.068 1.00 0.00 H ATOM 181 H ARG A 994 7.525 44.673 5.353 1.00 0.00 H ATOM 182 N ASN A 995 10.187 44.015 7.145 1.00 15.15 N ATOM 183 CA ASN A 995 11.098 43.346 8.055 1.00 15.53 C ATOM 184 C ASN A 995 12.007 42.382 7.324 1.00 14.58 C ATOM 185 O ASN A 995 13.256 42.393 7.530 1.00 13.54 O ATOM 186 CB ASN A 995 10.339 42.676 9.173 1.00 17.40 C ATOM 187 CG ASN A 995 11.262 41.877 10.053 1.00 21.25 C ATOM 188 OD1 ASN A 995 11.450 40.754 9.830 1.00 20.03 O ATOM 189 ND2 ASN A 995 11.961 42.559 10.980 1.00 22.77 N ATOM 190 HD22 ASN A 995 11.759 43.565 11.147 1.00 0.00 H ATOM 191 HD21 ASN A 995 12.703 42.079 11.529 1.00 0.00 H ATOM 192 H ASN A 995 9.167 43.832 7.228 1.00 0.00 H ATOM 193 N VAL A 996 11.425 41.531 6.458 1.00 13.70 N ATOM 194 CA VAL A 996 12.238 40.628 5.627 1.00 14.12 C ATOM 195 C VAL A 996 13.224 41.415 4.748 1.00 13.99 C ATOM 196 O VAL A 996 14.427 41.114 4.723 1.00 15.02 O ATOM 197 CB VAL A 996 11.361 39.729 4.738 1.00 14.31 C ATOM 198 CG1 VAL A 996 12.209 38.891 3.790 1.00 15.06 C ATOM 199 CG2 VAL A 996 10.483 38.857 5.631 1.00 14.50 C ATOM 200 H VAL A 996 10.388 41.511 6.375 1.00 0.00 H ATOM 201 N THR A 997 12.764 42.492 4.124 1.00 13.85 N ATOM 202 CA THR A 997 13.571 43.230 3.167 1.00 14.71 C ATOM 203 C THR A 997 14.743 43.910 3.900 1.00 16.13 C ATOM 204 O THR A 997 15.884 43.939 3.402 1.00 15.73 O ATOM 205 CB THR A 997 12.730 44.260 2.417 1.00 15.50 C ATOM 206 OG1 THR A 997 11.631 43.599 1.770 1.00 16.11 O ATOM 207 CG2 THR A 997 13.536 44.931 1.340 1.00 16.83 C ATOM 208 HG1 THR A 997 11.072 43.148 2.451 1.00 0.00 H ATOM 209 H THR A 997 11.797 42.818 4.326 1.00 0.00 H ATOM 210 N HIS A 998 14.443 44.473 5.065 1.00 16.55 N ATOM 211 CA HIS A 998 15.480 45.069 5.955 1.00 18.84 C ATOM 212 C HIS A 998 16.609 44.110 6.316 1.00 18.20 C ATOM 213 O HIS A 998 17.802 44.434 6.254 1.00 19.44 O ATOM 214 CB HIS A 998 14.849 45.649 7.223 1.00 21.45 C ATOM 215 CG HIS A 998 15.847 46.314 8.120 1.00 26.50 C ATOM 216 ND1 HIS A 998 16.270 45.764 9.316 1.00 31.90 N ATOM 217 CD2 HIS A 998 16.587 47.428 7.941 1.00 26.49 C ATOM 218 CE1 HIS A 998 17.190 46.542 9.860 1.00 29.22 C ATOM 219 NE2 HIS A 998 17.411 47.551 9.040 1.00 29.42 N ATOM 220 H HIS A 998 13.448 44.499 5.367 1.00 0.00 H ATOM 221 N ARG A 999 16.235 42.907 6.690 1.00 17.47 N ATOM 222 CA ARG A 999 17.215 41.908 7.016 1.00 17.42 C ATOM 223 C ARG A 999 18.094 41.498 5.831 1.00 17.65 C ATOM 224 O ARG A 999 19.282 41.202 6.048 1.00 18.55 O ATOM 225 CB ARG A 999 16.541 40.701 7.673 1.00 17.79 C ATOM 226 CG ARG A 999 16.031 41.002 9.089 1.00 19.29 C ATOM 227 CD ARG A 999 14.774 40.218 9.427 1.00 18.81 C ATOM 228 NE ARG A 999 15.082 38.814 9.542 1.00 18.32 N ATOM 229 CZ ARG A 999 14.167 37.856 9.752 1.00 18.20 C ATOM 230 NH1 ARG A 999 14.587 36.590 9.908 1.00 17.91 N ATOM 231 NH2 ARG A 999 12.896 38.142 9.834 1.00 18.36 N ATOM 232 HE ARG A 999 16.078 38.526 9.457 1.00 0.00 H ATOM 233 HH12 ARG A 999 13.897 35.830 10.072 1.00 0.00 H ATOM 234 HH11 ARG A 999 15.603 36.370 9.865 1.00 0.00 H ATOM 235 HH22 ARG A 999 12.202 37.385 9.997 1.00 0.00 H ATOM 236 HH21 ARG A 999 12.577 39.127 9.736 1.00 0.00 H ATOM 237 H ARG A 999 15.223 42.676 6.750 1.00 0.00 H ATOM 238 N LEU A1000 17.528 41.486 4.634 1.00 16.94 N ATOM 239 CA LEU A1000 18.293 41.270 3.389 1.00 17.60 C ATOM 240 C LEU A1000 19.199 42.449 3.099 1.00 17.43 C ATOM 241 O LEU A1000 20.355 42.275 2.747 1.00 18.34 O ATOM 242 CB LEU A1000 17.374 41.055 2.176 1.00 16.98 C ATOM 243 CG LEU A1000 16.485 39.828 2.305 1.00 16.47 C ATOM 244 CD1 LEU A1000 15.479 39.771 1.159 1.00 16.01 C ATOM 245 CD2 LEU A1000 17.237 38.514 2.434 1.00 17.02 C ATOM 246 H LEU A1000 16.501 41.635 4.568 1.00 0.00 H ATOM 247 N ALA A1001 18.663 43.643 3.259 1.00 17.07 N ATOM 248 CA ALA A1001 19.362 44.871 2.891 1.00 18.75 C ATOM 249 C ALA A1001 20.566 45.170 3.768 1.00 20.53 C ATOM 250 O ALA A1001 21.509 45.835 3.303 1.00 20.62 O ATOM 251 CB ALA A1001 18.400 46.038 2.953 1.00 19.29 C ATOM 252 H ALA A1001 17.707 43.713 3.662 1.00 0.00 H ATOM 253 N ILE A1002 20.557 44.696 4.998 1.00 19.87 N ATOM 254 CA ILE A1002 21.673 44.930 5.909 1.00 23.70 C ATOM 255 C ILE A1002 22.770 43.882 5.798 1.00 24.86 C ATOM 256 O ILE A1002 23.809 44.012 6.448 1.00 26.40 O ATOM 257 CB ILE A1002 21.269 45.111 7.376 1.00 24.92 C ATOM 258 CG1 ILE A1002 20.753 43.802 7.998 1.00 25.81 C ATOM 259 CG2 ILE A1002 20.314 46.278 7.475 1.00 27.07 C ATOM 260 CD1 ILE A1002 19.998 43.961 9.306 1.00 28.70 C ATOM 261 H ILE A1002 19.739 44.144 5.326 1.00 0.00 H ATOM 262 N ASP A1003 22.546 42.830 5.021 1.00 22.36 N ATOM 263 CA ASP A1003 23.514 41.761 4.896 1.00 23.20 C ATOM 264 C ASP A1003 24.585 42.235 3.917 1.00 23.16 C ATOM 265 O ASP A1003 24.292 42.694 2.816 1.00 22.91 O ATOM 266 CB ASP A1003 22.839 40.509 4.377 1.00 24.01 C ATOM 267 CG ASP A1003 23.728 39.300 4.424 1.00 25.32 C ATOM 268 OD1 ASP A1003 24.871 39.340 3.912 1.00 24.47 O ATOM 269 OD2 ASP A1003 23.221 38.274 4.935 1.00 25.50 O ATOM 270 H ASP A1003 21.654 42.772 4.489 1.00 0.00 H ATOM 271 N LYS A1004 25.855 42.190 4.328 1.00 24.77 N ATOM 272 CA LYS A1004 26.929 42.750 3.500 1.00 25.85 C ATOM 273 C LYS A1004 27.085 42.082 2.122 1.00 24.49 C ATOM 274 O LYS A1004 27.506 42.716 1.191 1.00 24.94 O ATOM 275 CB LYS A1004 28.283 42.786 4.273 1.00 28.32 C ATOM 276 CG LYS A1004 28.732 41.469 4.883 1.00 30.21 C ATOM 277 CD LYS A1004 30.061 41.609 5.668 1.00 32.92 C ATOM 278 CE LYS A1004 30.617 40.251 6.072 1.00 34.35 C ATOM 279 NZ LYS A1004 31.472 40.237 7.278 1.00 36.91 N ATOM 280 HZ1 LYS A1004 32.295 40.854 7.125 1.00 0.00 H ATOM 281 HZ2 LYS A1004 30.925 40.581 8.093 1.00 0.00 H ATOM 282 HZ3 LYS A1004 31.795 39.266 7.461 1.00 0.00 H ATOM 283 H LYS A1004 26.085 41.754 5.244 1.00 0.00 H ATOM 284 N ARG A1005 26.713 40.820 2.006 1.00 23.41 N ATOM 285 CA ARG A1005 26.784 40.122 0.752 1.00 22.96 C ATOM 286 C ARG A1005 25.871 40.724 -0.265 1.00 22.53 C ATOM 287 O ARG A1005 26.117 40.581 -1.453 1.00 22.20 O ATOM 288 CB ARG A1005 26.346 38.695 0.936 1.00 22.51 C ATOM 289 CG ARG A1005 27.219 37.877 1.840 1.00 24.46 C ATOM 290 CD ARG A1005 26.605 36.519 2.000 1.00 24.89 C ATOM 291 NE ARG A1005 25.413 36.578 2.800 1.00 25.06 N ATOM 292 CZ ARG A1005 24.635 35.538 3.031 1.00 26.20 C ATOM 293 NH1 ARG A1005 24.935 34.349 2.496 1.00 27.23 N ATOM 294 NH2 ARG A1005 23.558 35.670 3.794 1.00 25.66 N ATOM 295 HE ARG A1005 25.149 37.492 3.220 1.00 0.00 H ATOM 296 HH12 ARG A1005 24.323 33.528 2.677 1.00 0.00 H ATOM 297 HH11 ARG A1005 25.780 34.246 1.899 1.00 0.00 H ATOM 298 HH22 ARG A1005 22.945 34.849 3.975 1.00 0.00 H ATOM 299 HH21 ARG A1005 23.326 36.594 4.211 1.00 0.00 H ATOM 300 H ARG A1005 26.359 40.318 2.845 1.00 0.00 H ATOM 301 N PHE A1006 24.784 41.365 0.205 1.00 20.73 N ATOM 302 CA PHE A1006 23.739 41.857 -0.677 1.00 19.41 C ATOM 303 C PHE A1006 23.783 43.333 -0.971 1.00 21.01 C ATOM 304 O PHE A1006 22.872 43.884 -1.610 1.00 21.81 O ATOM 305 CB PHE A1006 22.364 41.418 -0.151 1.00 17.69 C ATOM 306 CG PHE A1006 22.282 39.986 0.193 1.00 18.04 C ATOM 307 CD1 PHE A1006 22.957 39.000 -0.565 1.00 17.65 C ATOM 308 CD2 PHE A1006 21.490 39.580 1.249 1.00 17.81 C ATOM 309 CE1 PHE A1006 22.827 37.697 -0.217 1.00 17.96 C ATOM 310 CE2 PHE A1006 21.389 38.284 1.596 1.00 18.46 C ATOM 311 CZ PHE A1006 22.059 37.335 0.856 1.00 18.77 C ATOM 312 H PHE A1006 24.689 41.512 1.230 1.00 0.00 H ATOM 313 N ARG A1007 24.872 44.016 -0.599 1.00 22.75 N ATOM 314 CA ARG A1007 25.004 45.427 -0.874 1.00 23.80 C ATOM 315 C ARG A1007 24.769 45.823 -2.314 1.00 22.52 C ATOM 316 O ARG A1007 24.152 46.842 -2.570 1.00 23.38 O ATOM 317 CB ARG A1007 26.392 45.935 -0.410 1.00 27.64 C ATOM 318 CG ARG A1007 26.537 47.439 -0.500 1.00 35.69 C ATOM 319 CD ARG A1007 27.920 47.850 0.006 1.00 44.38 C ATOM 320 NE ARG A1007 28.074 49.302 0.108 1.00 56.62 N ATOM 321 CZ ARG A1007 27.476 50.077 1.020 1.00 67.55 C ATOM 322 NH1 ARG A1007 26.639 49.565 1.933 1.00 68.67 N ATOM 323 NH2 ARG A1007 27.707 51.389 1.012 1.00 73.81 N ATOM 324 HE ARG A1007 28.697 49.768 -0.582 1.00 0.00 H ATOM 325 HH12 ARG A1007 26.187 50.189 2.631 1.00 0.00 H ATOM 326 HH11 ARG A1007 26.442 48.544 1.943 1.00 0.00 H ATOM 327 HH22 ARG A1007 27.248 52.002 1.716 1.00 0.00 H ATOM 328 HH21 ARG A1007 28.346 51.800 0.302 1.00 0.00 H ATOM 329 H ARG A1007 25.639 43.520 -0.102 1.00 0.00 H ATOM 330 N VAL A1008 25.281 45.024 -3.259 1.00 22.62 N ATOM 331 CA VAL A1008 25.169 45.318 -4.647 1.00 24.71 C ATOM 332 C VAL A1008 23.685 45.342 -5.090 1.00 23.85 C ATOM 333 O VAL A1008 23.368 45.962 -6.089 1.00 23.80 O ATOM 334 CB VAL A1008 26.026 44.340 -5.520 1.00 27.99 C ATOM 335 CG1 VAL A1008 25.532 42.903 -5.414 1.00 27.13 C ATOM 336 CG2 VAL A1008 26.033 44.766 -6.957 1.00 32.70 C ATOM 337 H VAL A1008 25.778 44.158 -2.968 1.00 0.00 H ATOM 338 N PHE A1009 22.815 44.696 -4.321 1.00 21.74 N ATOM 339 CA PHE A1009 21.395 44.614 -4.685 1.00 21.50 C ATOM 340 C PHE A1009 20.549 45.633 -3.942 1.00 21.37 C ATOM 341 O PHE A1009 19.341 45.613 -4.066 1.00 21.36 O ATOM 342 CB PHE A1009 20.866 43.226 -4.377 1.00 20.63 C ATOM 343 CG PHE A1009 21.671 42.123 -5.010 1.00 20.62 C ATOM 344 CD1 PHE A1009 21.829 42.081 -6.394 1.00 21.46 C ATOM 345 CD2 PHE A1009 22.251 41.161 -4.227 1.00 21.58 C ATOM 346 CE1 PHE A1009 22.576 41.092 -6.997 1.00 21.65 C ATOM 347 CE2 PHE A1009 23.030 40.157 -4.813 1.00 21.81 C ATOM 348 CZ PHE A1009 23.173 40.115 -6.194 1.00 21.12 C ATOM 349 H PHE A1009 23.146 44.241 -3.446 1.00 0.00 H ATOM 350 N THR A1010 21.159 46.521 -3.171 1.00 22.28 N ATOM 351 CA THR A1010 20.379 47.488 -2.403 1.00 22.45 C ATOM 352 C THR A1010 19.972 48.744 -3.154 1.00 26.87 C ATOM 353 O THR A1010 19.069 49.454 -2.701 1.00 29.15 O ATOM 354 CB THR A1010 21.109 47.930 -1.140 1.00 24.05 C ATOM 355 OG1 THR A1010 22.387 48.490 -1.469 1.00 24.33 O ATOM 356 CG2 THR A1010 21.257 46.769 -0.219 1.00 23.49 C ATOM 357 HG1 THR A1010 22.934 47.810 -1.936 1.00 0.00 H ATOM 358 H THR A1010 22.197 46.530 -3.112 1.00 0.00 H ATOM 359 N LYS A1011 20.626 49.013 -4.265 1.00 28.35 N ATOM 360 CA LYS A1011 20.379 50.221 -5.050 1.00 32.46 C ATOM 361 C LYS A1011 20.378 49.863 -6.499 1.00 31.74 C ATOM 362 O LYS A1011 21.021 48.886 -6.900 1.00 28.79 O ATOM 363 CB LYS A1011 21.500 51.248 -4.838 1.00 36.98 C ATOM 364 CG LYS A1011 21.641 51.758 -3.426 1.00 44.24 C ATOM 365 CD LYS A1011 20.436 52.562 -2.969 1.00 50.99 C ATOM 366 CE LYS A1011 20.491 52.858 -1.471 1.00 56.76 C ATOM 367 NZ LYS A1011 19.173 53.391 -1.007 1.00 61.38 N ATOM 368 HZ1 LYS A1011 18.954 54.268 -1.522 1.00 0.00 H ATOM 369 HZ2 LYS A1011 18.431 52.685 -1.190 1.00 0.00 H ATOM 370 HZ3 LYS A1011 19.220 53.589 0.013 1.00 0.00 H ATOM 371 H LYS A1011 21.346 48.340 -4.597 1.00 0.00 H ATOM 372 N PRO A1012 19.749 50.712 -7.326 1.00 35.49 N ATOM 373 CA PRO A1012 19.842 50.566 -8.777 1.00 39.80 C ATOM 374 C PRO A1012 21.274 50.679 -9.240 1.00 39.92 C ATOM 375 O PRO A1012 22.061 51.282 -8.542 1.00 40.37 O ATOM 376 CB PRO A1012 19.066 51.793 -9.315 1.00 41.83 C ATOM 377 CG PRO A1012 18.242 52.287 -8.186 1.00 39.97 C ATOM 378 CD PRO A1012 18.979 51.910 -6.927 1.00 39.12 C ATOM 379 N VAL A1013 21.646 50.099 -10.382 1.00 49.06 N ATOM 380 CA VAL A1013 23.071 50.167 -10.815 1.00 50.50 C ATOM 381 C VAL A1013 23.484 51.583 -11.250 1.00 54.36 C ATOM 382 O VAL A1013 22.636 52.405 -11.548 1.00 54.67 O ATOM 383 CB VAL A1013 23.442 49.171 -11.952 1.00 53.95 C ATOM 384 CG1 VAL A1013 22.841 47.793 -11.688 1.00 53.17 C ATOM 385 CG2 VAL A1013 23.033 49.703 -13.322 1.00 55.87 C ATOM 386 H VAL A1013 20.945 49.602 -10.968 1.00 0.00 H ATOM 387 N ASP A1014 24.786 51.851 -11.306 1.00 60.61 N ATOM 388 CA ASP A1014 25.283 53.167 -11.782 1.00 65.80 C ATOM 389 C ASP A1014 25.398 53.231 -13.328 1.00 64.80 C ATOM 390 O ASP A1014 26.350 52.691 -13.909 1.00 62.45 O ATOM 391 CB ASP A1014 26.629 53.507 -11.118 1.00 69.80 C ATOM 392 CG ASP A1014 27.122 54.907 -11.470 1.00 75.25 C ATOM 393 OD1 ASP A1014 26.317 55.863 -11.336 1.00 77.49 O ATOM 394 OD2 ASP A1014 28.298 55.040 -11.878 1.00 72.06 O ATOM 395 H ASP A1014 25.469 51.125 -11.011 1.00 0.00 H ATOM 396 N PRO A1015 24.450 53.925 -13.995 1.00 67.72 N ATOM 397 CA PRO A1015 24.426 53.904 -15.467 1.00 71.96 C ATOM 398 C PRO A1015 25.739 54.379 -16.104 1.00 75.43 C ATOM 399 O PRO A1015 26.136 53.885 -17.165 1.00 72.95 O ATOM 400 CB PRO A1015 23.275 54.861 -15.818 1.00 74.42 C ATOM 401 CG PRO A1015 23.154 55.773 -14.640 1.00 72.77 C ATOM 402 CD PRO A1015 23.571 54.974 -13.438 1.00 69.05 C ATOM 403 N ASP A1016 26.407 55.321 -15.445 1.00 77.58 N ATOM 404 CA ASP A1016 27.696 55.830 -15.919 1.00 82.22 C ATOM 405 C ASP A1016 28.738 54.723 -15.818 1.00 80.28 C ATOM 406 O ASP A1016 29.673 54.655 -16.615 1.00 79.43 O ATOM 407 CB ASP A1016 28.141 57.056 -15.096 1.00 86.45 C ATOM 408 CG ASP A1016 26.993 58.028 -14.814 1.00 87.26 C ATOM 409 OD1 ASP A1016 26.433 58.584 -15.780 1.00 83.23 O ATOM 410 OD2 ASP A1016 26.642 58.215 -13.624 1.00 87.76 O ATOM 411 H ASP A1016 26.003 55.707 -14.568 1.00 0.00 H ATOM 412 N GLU A1017 28.554 53.846 -14.835 1.00 78.07 N ATOM 413 CA GLU A1017 29.473 52.740 -14.592 1.00 77.32 C ATOM 414 C GLU A1017 29.185 51.550 -15.496 1.00 74.71 C ATOM 415 O GLU A1017 30.112 50.855 -15.926 1.00 74.50 O ATOM 416 CB GLU A1017 29.359 52.290 -13.140 1.00 78.72 C ATOM 417 CG GLU A1017 30.678 52.034 -12.452 1.00 81.85 C ATOM 418 CD GLU A1017 30.515 52.062 -10.951 1.00 84.92 C ATOM 419 OE1 GLU A1017 30.125 51.024 -10.381 1.00 77.64 O ATOM 420 OE2 GLU A1017 30.758 53.136 -10.354 1.00 90.01 O ATOM 421 H GLU A1017 27.724 53.953 -14.217 1.00 0.00 H ATOM 422 N VAL A1018 27.900 51.316 -15.770 1.00 69.89 N ATOM 423 CA VAL A1018 27.464 50.149 -16.541 1.00 62.94 C ATOM 424 C VAL A1018 26.332 50.570 -17.515 1.00 58.47 C ATOM 425 O VAL A1018 25.135 50.321 -17.282 1.00 49.73 O ATOM 426 CB VAL A1018 27.112 49.001 -15.565 1.00 62.29 C ATOM 427 CG1 VAL A1018 26.067 49.439 -14.571 1.00 62.61 C ATOM 428 CG2 VAL A1018 26.726 47.738 -16.299 1.00 62.73 C ATOM 429 H VAL A1018 27.183 51.985 -15.424 1.00 0.00 H ATOM 430 N PRO A1019 26.724 51.238 -18.623 1.00 53.50 N ATOM 431 CA PRO A1019 25.759 51.891 -19.519 1.00 51.26 C ATOM 432 C PRO A1019 24.936 50.926 -20.358 1.00 47.01 C ATOM 433 O PRO A1019 23.857 51.295 -20.806 1.00 45.97 O ATOM 434 CB PRO A1019 26.639 52.783 -20.432 1.00 54.96 C ATOM 435 CG PRO A1019 28.053 52.607 -19.987 1.00 55.84 C ATOM 436 CD PRO A1019 28.120 51.426 -19.063 1.00 54.72 C ATOM 437 N ASP A1020 25.418 49.699 -20.565 1.00 45.31 N ATOM 438 CA ASP A1020 24.608 48.710 -21.291 1.00 46.25 C ATOM 439 C ASP A1020 23.560 48.035 -20.386 1.00 43.67 C ATOM 440 O ASP A1020 22.759 47.223 -20.860 1.00 45.62 O ATOM 441 CB ASP A1020 25.486 47.668 -22.014 1.00 49.79 C ATOM 442 CG ASP A1020 26.112 46.634 -21.066 1.00 53.15 C ATOM 443 OD1 ASP A1020 26.582 47.027 -19.982 1.00 56.12 O ATOM 444 OD2 ASP A1020 26.145 45.425 -21.426 1.00 57.34 O ATOM 445 H ASP A1020 26.363 49.443 -20.214 1.00 0.00 H ATOM 446 N TYR A1021 23.517 48.388 -19.103 1.00 42.65 N ATOM 447 CA TYR A1021 22.637 47.644 -18.188 1.00 40.01 C ATOM 448 C TYR A1021 21.185 47.791 -18.572 1.00 44.31 C ATOM 449 O TYR A1021 20.470 46.795 -18.670 1.00 40.98 O ATOM 450 CB TYR A1021 22.822 48.066 -16.728 1.00 38.41 C ATOM 451 CG TYR A1021 22.145 47.100 -15.761 1.00 33.78 C ATOM 452 CD1 TYR A1021 22.798 45.926 -15.333 1.00 32.13 C ATOM 453 CD2 TYR A1021 20.867 47.333 -15.279 1.00 32.56 C ATOM 454 CE1 TYR A1021 22.191 45.039 -14.462 1.00 30.03 C ATOM 455 CE2 TYR A1021 20.260 46.452 -14.393 1.00 31.03 C ATOM 456 CZ TYR A1021 20.921 45.306 -13.986 1.00 28.99 C ATOM 457 OH TYR A1021 20.299 44.418 -13.164 1.00 27.43 O ATOM 458 HH TYR A1021 20.910 43.662 -12.974 1.00 0.00 H ATOM 459 H TYR A1021 24.096 49.177 -18.753 1.00 0.00 H ATOM 460 N VAL A1022 20.757 49.043 -18.785 1.00 50.45 N ATOM 461 CA VAL A1022 19.366 49.346 -19.167 1.00 54.34 C ATOM 462 C VAL A1022 18.955 48.737 -20.492 1.00 56.11 C ATOM 463 O VAL A1022 17.753 48.584 -20.743 1.00 56.99 O ATOM 464 CB VAL A1022 19.072 50.862 -19.309 1.00 58.25 C ATOM 465 CG1 VAL A1022 19.023 51.530 -17.942 1.00 58.83 C ATOM 466 CG2 VAL A1022 20.074 51.533 -20.250 1.00 58.86 C ATOM 467 H VAL A1022 21.430 49.828 -18.677 1.00 0.00 H ATOM 468 N THR A1023 19.923 48.410 -21.346 1.00 55.59 N ATOM 469 CA THR A1023 19.578 47.808 -22.630 1.00 57.30 C ATOM 470 C THR A1023 19.430 46.307 -22.451 1.00 53.24 C ATOM 471 O THR A1023 18.477 45.719 -22.950 1.00 56.04 O ATOM 472 CB THR A1023 20.530 48.231 -23.786 1.00 59.81 C ATOM 473 OG1 THR A1023 21.748 47.467 -23.785 1.00 63.81 O ATOM 474 CG2 THR A1023 20.846 49.717 -23.665 1.00 61.30 C ATOM 475 HG1 THR A1023 22.222 47.605 -22.927 1.00 0.00 H ATOM 476 H THR A1023 20.919 48.583 -21.100 1.00 0.00 H ATOM 477 N VAL A1024 20.309 45.698 -21.666 1.00 47.84 N ATOM 478 CA VAL A1024 20.222 44.247 -21.419 1.00 44.01 C ATOM 479 C VAL A1024 19.091 43.864 -20.472 1.00 38.85 C ATOM 480 O VAL A1024 18.444 42.839 -20.663 1.00 38.00 O ATOM 481 CB VAL A1024 21.567 43.692 -20.881 1.00 43.51 C ATOM 482 CG1 VAL A1024 21.431 42.233 -20.447 1.00 43.60 C ATOM 483 CG2 VAL A1024 22.651 43.866 -21.937 1.00 47.30 C ATOM 484 H VAL A1024 21.069 46.251 -21.219 1.00 0.00 H ATOM 485 N ILE A1025 18.896 44.665 -19.431 1.00 36.07 N ATOM 486 CA ILE A1025 17.986 44.337 -18.336 1.00 31.10 C ATOM 487 C ILE A1025 16.801 45.304 -18.413 1.00 34.36 C ATOM 488 O ILE A1025 16.903 46.476 -18.047 1.00 35.28 O ATOM 489 CB ILE A1025 18.688 44.445 -16.953 1.00 30.27 C ATOM 490 CG1 ILE A1025 19.828 43.400 -16.835 1.00 29.44 C ATOM 491 CG2 ILE A1025 17.689 44.288 -15.824 1.00 29.46 C ATOM 492 CD1 ILE A1025 19.369 41.956 -16.946 1.00 28.74 C ATOM 493 H ILE A1025 19.414 45.566 -19.393 1.00 0.00 H ATOM 494 N LYS A1026 15.678 44.778 -18.867 1.00 36.25 N ATOM 495 CA LYS A1026 14.480 45.584 -19.161 1.00 37.14 C ATOM 496 C LYS A1026 13.616 45.869 -17.946 1.00 37.18 C ATOM 497 O LYS A1026 12.774 46.761 -18.000 1.00 33.99 O ATOM 498 CB LYS A1026 13.625 44.837 -20.176 1.00 39.02 C ATOM 499 CG LYS A1026 14.332 44.534 -21.486 1.00 40.89 C ATOM 500 CD LYS A1026 14.988 45.765 -22.074 1.00 41.12 C ATOM 501 CE LYS A1026 15.523 45.488 -23.451 1.00 43.51 C ATOM 502 NZ LYS A1026 16.231 46.685 -23.984 1.00 44.89 N ATOM 503 HZ1 LYS A1026 15.568 47.485 -24.032 1.00 0.00 H ATOM 504 HZ2 LYS A1026 17.023 46.927 -23.355 1.00 0.00 H ATOM 505 HZ3 LYS A1026 16.594 46.476 -24.936 1.00 0.00 H ATOM 506 H LYS A1026 15.637 43.751 -19.024 1.00 0.00 H ATOM 507 N GLN A1027 13.785 45.085 -16.878 1.00 33.06 N ATOM 508 CA GLN A1027 13.035 45.255 -15.643 1.00 34.70 C ATOM 509 C GLN A1027 13.986 45.234 -14.457 1.00 31.34 C ATOM 510 O GLN A1027 13.977 44.249 -13.712 1.00 27.67 O ATOM 511 CB GLN A1027 12.057 44.120 -15.423 1.00 38.06 C ATOM 512 CG GLN A1027 10.736 44.274 -16.050 1.00 43.22 C ATOM 513 CD GLN A1027 9.684 43.438 -15.379 1.00 41.07 C ATOM 514 OE1 GLN A1027 8.907 43.938 -14.574 1.00 48.12 O ATOM 515 NE2 GLN A1027 9.649 42.164 -15.708 1.00 41.21 N ATOM 516 HE22 GLN A1027 10.330 41.786 -16.397 1.00 0.00 H ATOM 517 HE21 GLN A1027 8.940 41.535 -15.279 1.00 0.00 H ATOM 518 H GLN A1027 14.485 44.318 -16.932 1.00 0.00 H ATOM 519 N PRO A1028 14.783 46.301 -14.302 1.00 29.72 N ATOM 520 CA PRO A1028 15.690 46.462 -13.166 1.00 28.10 C ATOM 521 C PRO A1028 14.923 46.346 -11.840 1.00 26.69 C ATOM 522 O PRO A1028 13.788 46.809 -11.731 1.00 24.84 O ATOM 523 CB PRO A1028 16.279 47.871 -13.337 1.00 30.53 C ATOM 524 CG PRO A1028 15.613 48.510 -14.500 1.00 33.36 C ATOM 525 CD PRO A1028 14.669 47.515 -15.124 1.00 30.69 C ATOM 526 N MET A1029 15.513 45.663 -10.865 1.00 23.20 N ATOM 527 CA MET A1029 14.910 45.561 -9.565 1.00 24.19 C ATOM 528 C MET A1029 16.027 45.530 -8.514 1.00 23.52 C ATOM 529 O MET A1029 17.103 44.976 -8.743 1.00 22.22 O ATOM 530 CB MET A1029 14.008 44.322 -9.489 1.00 23.41 C ATOM 531 CG MET A1029 13.148 44.277 -8.215 1.00 24.07 C ATOM 532 SD MET A1029 12.120 45.725 -7.873 1.00 24.86 S ATOM 533 CE MET A1029 11.136 45.849 -9.367 1.00 25.69 C ATOM 534 H MET A1029 16.424 45.196 -11.045 1.00 0.00 H ATOM 535 N ASP A1030 15.738 46.122 -7.375 1.00 22.43 N ATOM 536 CA ASP A1030 16.687 46.154 -6.258 1.00 23.57 C ATOM 537 C ASP A1030 15.909 46.336 -4.985 1.00 21.64 C ATOM 538 O ASP A1030 14.697 46.595 -5.026 1.00 20.68 O ATOM 539 CB ASP A1030 17.659 47.333 -6.482 1.00 24.95 C ATOM 540 CG ASP A1030 16.951 48.655 -6.294 1.00 28.44 C ATOM 541 OD1 ASP A1030 16.378 49.187 -7.252 1.00 36.67 O ATOM 542 OD2 ASP A1030 16.878 49.135 -5.174 1.00 30.54 O ATOM 543 H ASP A1030 14.811 46.580 -7.264 1.00 0.00 H ATOM 544 N LEU A1031 16.569 46.190 -3.845 1.00 21.00 N ATOM 545 CA LEU A1031 15.887 46.205 -2.556 1.00 19.96 C ATOM 546 C LEU A1031 15.307 47.555 -2.171 1.00 21.28 C ATOM 547 O LEU A1031 14.309 47.617 -1.458 1.00 19.81 O ATOM 548 CB LEU A1031 16.773 45.648 -1.442 1.00 19.23 C ATOM 549 CG LEU A1031 17.290 44.214 -1.644 1.00 18.19 C ATOM 550 CD1 LEU A1031 18.365 43.852 -0.618 1.00 18.17 C ATOM 551 CD2 LEU A1031 16.150 43.216 -1.636 1.00 19.08 C ATOM 552 H LEU A1031 17.601 46.061 -3.870 1.00 0.00 H ATOM 553 N SER A1032 15.884 48.647 -2.669 1.00 23.08 N ATOM 554 CA SER A1032 15.318 49.960 -2.397 1.00 23.56 C ATOM 555 C SER A1032 13.996 50.133 -3.147 1.00 22.42 C ATOM 556 O SER A1032 13.025 50.687 -2.591 1.00 22.03 O ATOM 557 CB SER A1032 16.303 51.087 -2.741 1.00 24.98 C ATOM 558 OG SER A1032 17.396 51.061 -1.853 1.00 26.32 O ATOM 559 HG SER A1032 17.859 50.189 -1.927 1.00 0.00 H ATOM 560 H SER A1032 16.740 48.561 -3.253 1.00 0.00 H ATOM 561 N SER A1033 13.936 49.601 -4.357 1.00 22.16 N ATOM 562 CA SER A1033 12.718 49.667 -5.152 1.00 23.64 C ATOM 563 C SER A1033 11.658 48.758 -4.539 1.00 20.32 C ATOM 564 O SER A1033 10.477 49.104 -4.533 1.00 18.98 O ATOM 565 CB SER A1033 12.978 49.253 -6.579 1.00 26.01 C ATOM 566 OG SER A1033 13.875 50.219 -7.143 1.00 31.42 O ATOM 567 HG SER A1033 14.717 50.228 -6.623 1.00 0.00 H ATOM 568 H SER A1033 14.775 49.127 -4.748 1.00 0.00 H ATOM 569 N VAL A1034 12.090 47.620 -4.043 1.00 18.29 N ATOM 570 CA VAL A1034 11.134 46.768 -3.274 1.00 17.98 C ATOM 571 C VAL A1034 10.524 47.514 -2.110 1.00 17.43 C ATOM 572 O VAL A1034 9.309 47.435 -1.926 1.00 16.65 O ATOM 573 CB VAL A1034 11.805 45.471 -2.812 1.00 17.65 C ATOM 574 CG1 VAL A1034 10.968 44.685 -1.828 1.00 17.21 C ATOM 575 CG2 VAL A1034 12.173 44.637 -4.006 1.00 18.52 C ATOM 576 H VAL A1034 13.076 47.319 -4.183 1.00 0.00 H ATOM 577 N ILE A1035 11.327 48.204 -1.284 1.00 18.13 N ATOM 578 CA ILE A1035 10.767 48.992 -0.162 1.00 19.24 C ATOM 579 C ILE A1035 9.773 50.036 -0.633 1.00 18.39 C ATOM 580 O ILE A1035 8.700 50.245 0.001 1.00 19.21 O ATOM 581 CB ILE A1035 11.882 49.705 0.651 1.00 21.89 C ATOM 582 CG1 ILE A1035 12.709 48.680 1.408 1.00 25.79 C ATOM 583 CG2 ILE A1035 11.282 50.693 1.674 1.00 24.01 C ATOM 584 CD1 ILE A1035 11.857 47.869 2.331 1.00 29.88 C ATOM 585 H ILE A1035 12.356 48.185 -1.434 1.00 0.00 H ATOM 586 N SER A1036 10.132 50.719 -1.712 1.00 19.73 N ATOM 587 CA SER A1036 9.254 51.733 -2.293 1.00 19.95 C ATOM 588 C SER A1036 7.906 51.078 -2.688 1.00 19.58 C ATOM 589 O SER A1036 6.823 51.593 -2.348 1.00 20.20 O ATOM 590 CB SER A1036 9.976 52.439 -3.454 1.00 21.88 C ATOM 591 OG SER A1036 11.047 53.252 -2.957 1.00 22.12 O ATOM 592 HG SER A1036 11.500 53.698 -3.716 1.00 0.00 H ATOM 593 H SER A1036 11.055 50.530 -2.153 1.00 0.00 H ATOM 594 N LYS A1037 7.976 49.904 -3.328 1.00 18.98 N ATOM 595 CA LYS A1037 6.768 49.202 -3.749 1.00 18.61 C ATOM 596 C LYS A1037 5.925 48.709 -2.557 1.00 17.55 C ATOM 597 O LYS A1037 4.710 48.758 -2.631 1.00 19.24 O ATOM 598 CB LYS A1037 7.072 48.053 -4.690 1.00 19.08 C ATOM 599 CG LYS A1037 7.578 48.535 -6.024 1.00 21.06 C ATOM 600 CD LYS A1037 7.848 47.421 -7.021 1.00 21.78 C ATOM 601 CE LYS A1037 6.611 46.649 -7.436 1.00 22.48 C ATOM 602 NZ LYS A1037 6.898 45.697 -8.549 1.00 23.55 N ATOM 603 HZ1 LYS A1037 7.246 46.225 -9.375 1.00 0.00 H ATOM 604 HZ2 LYS A1037 7.621 45.015 -8.243 1.00 0.00 H ATOM 605 HZ3 LYS A1037 6.027 45.189 -8.803 1.00 0.00 H ATOM 606 H LYS A1037 8.907 49.486 -3.528 1.00 0.00 H ATOM 607 N ILE A1038 6.561 48.264 -1.481 1.00 17.37 N ATOM 608 CA ILE A1038 5.813 47.879 -0.322 1.00 16.91 C ATOM 609 C ILE A1038 4.990 49.082 0.154 1.00 17.15 C ATOM 610 O ILE A1038 3.787 48.959 0.414 1.00 18.07 O ATOM 611 CB ILE A1038 6.737 47.411 0.858 1.00 16.55 C ATOM 612 CG1 ILE A1038 7.478 46.145 0.503 1.00 16.16 C ATOM 613 CG2 ILE A1038 5.903 47.286 2.129 1.00 17.27 C ATOM 614 CD1 ILE A1038 8.593 45.790 1.528 1.00 16.14 C ATOM 615 H ILE A1038 7.599 48.195 -1.479 1.00 0.00 H ATOM 616 N ASP A1039 5.656 50.238 0.267 1.00 18.93 N ATOM 617 CA ASP A1039 5.050 51.454 0.827 1.00 20.48 C ATOM 618 C ASP A1039 3.949 52.013 -0.079 1.00 21.50 C ATOM 619 O ASP A1039 2.981 52.641 0.402 1.00 21.98 O ATOM 620 CB ASP A1039 6.114 52.491 1.125 1.00 21.44 C ATOM 621 CG ASP A1039 6.981 52.114 2.304 1.00 22.71 C ATOM 622 OD1 ASP A1039 6.601 51.195 3.066 1.00 23.23 O ATOM 623 OD2 ASP A1039 8.059 52.738 2.480 1.00 22.63 O ATOM 624 H ASP A1039 6.644 50.277 -0.055 1.00 0.00 H ATOM 625 N LEU A1040 4.100 51.777 -1.374 1.00 20.95 N ATOM 626 CA LEU A1040 3.063 52.122 -2.366 1.00 21.98 C ATOM 627 C LEU A1040 1.924 51.119 -2.456 1.00 21.44 C ATOM 628 O LEU A1040 1.017 51.262 -3.298 1.00 21.28 O ATOM 629 CB LEU A1040 3.720 52.311 -3.695 1.00 22.01 C ATOM 630 CG LEU A1040 4.541 53.607 -3.825 1.00 23.33 C ATOM 631 CD1 LEU A1040 5.410 53.537 -5.060 1.00 24.09 C ATOM 632 CD2 LEU A1040 3.643 54.839 -3.847 1.00 26.36 C ATOM 633 H LEU A1040 4.981 51.333 -1.703 1.00 0.00 H ATOM 634 N HIS A1041 1.920 50.118 -1.583 1.00 20.15 N ATOM 635 CA HIS A1041 0.867 49.111 -1.552 1.00 20.46 C ATOM 636 C HIS A1041 0.789 48.284 -2.826 1.00 21.93 C ATOM 637 O HIS A1041 -0.297 47.834 -3.281 1.00 20.99 O ATOM 638 CB HIS A1041 -0.505 49.764 -1.236 1.00 22.59 C ATOM 639 CG HIS A1041 -0.563 50.438 0.088 1.00 23.13 C ATOM 640 ND1 HIS A1041 -1.756 50.792 0.677 1.00 25.97 N ATOM 641 CD2 HIS A1041 0.402 50.858 0.929 1.00 24.11 C ATOM 642 CE1 HIS A1041 -1.520 51.405 1.823 1.00 25.61 C ATOM 643 NE2 HIS A1041 -0.220 51.452 2.004 1.00 25.83 N ATOM 644 H HIS A1041 2.698 50.050 -0.896 1.00 0.00 H ATOM 645 N LYS A1042 1.932 48.075 -3.437 1.00 20.73 N ATOM 646 CA LYS A1042 1.993 47.308 -4.656 1.00 22.31 C ATOM 647 C LYS A1042 1.950 45.822 -4.458 1.00 21.39 C ATOM 648 O LYS A1042 1.634 45.120 -5.408 1.00 21.93 O ATOM 649 CB LYS A1042 3.232 47.650 -5.463 1.00 23.37 C ATOM 650 CG LYS A1042 3.380 49.089 -5.966 1.00 27.25 C ATOM 651 CD LYS A1042 2.218 49.572 -6.803 1.00 33.29 C ATOM 652 CE LYS A1042 2.570 50.936 -7.422 1.00 37.75 C ATOM 653 NZ LYS A1042 1.441 51.461 -8.202 1.00 42.48 N ATOM 654 HZ1 LYS A1042 1.210 50.795 -8.966 1.00 0.00 H ATOM 655 HZ2 LYS A1042 0.616 51.577 -7.580 1.00 0.00 H ATOM 656 HZ3 LYS A1042 1.701 52.382 -8.610 1.00 0.00 H ATOM 657 H LYS A1042 2.807 48.469 -3.035 1.00 0.00 H ATOM 658 N TYR A1043 2.350 45.328 -3.294 1.00 19.56 N ATOM 659 CA TYR A1043 2.293 43.926 -3.012 1.00 18.72 C ATOM 660 C TYR A1043 1.071 43.596 -2.146 1.00 19.95 C ATOM 661 O TYR A1043 0.922 44.139 -1.054 1.00 21.80 O ATOM 662 CB TYR A1043 3.519 43.481 -2.249 1.00 17.71 C ATOM 663 CG TYR A1043 4.828 43.776 -2.947 1.00 17.83 C ATOM 664 CD1 TYR A1043 5.107 43.254 -4.190 1.00 18.64 C ATOM 665 CD2 TYR A1043 5.772 44.579 -2.350 1.00 17.72 C ATOM 666 CE1 TYR A1043 6.332 43.515 -4.811 1.00 18.59 C ATOM 667 CE2 TYR A1043 6.959 44.872 -2.960 1.00 16.96 C ATOM 668 CZ TYR A1043 7.269 44.316 -4.147 1.00 17.48 C ATOM 669 OH TYR A1043 8.464 44.610 -4.771 1.00 18.74 O ATOM 670 HH TYR A1043 8.519 44.114 -5.626 1.00 0.00 H ATOM 671 H TYR A1043 2.715 45.976 -2.567 1.00 0.00 H ATOM 672 N LEU A1044 0.202 42.731 -2.661 1.00 20.91 N ATOM 673 CA LEU A1044 -0.942 42.243 -1.876 1.00 20.81 C ATOM 674 C LEU A1044 -0.745 40.813 -1.419 1.00 20.22 C ATOM 675 O LEU A1044 -1.597 40.283 -0.675 1.00 19.52 O ATOM 676 CB LEU A1044 -2.258 42.300 -2.671 1.00 22.85 C ATOM 677 CG LEU A1044 -2.679 43.574 -3.401 1.00 23.89 C ATOM 678 CD1 LEU A1044 -4.151 43.422 -3.773 1.00 24.03 C ATOM 679 CD2 LEU A1044 -2.426 44.852 -2.615 1.00 23.37 C ATOM 680 H LEU A1044 0.334 42.394 -3.636 1.00 0.00 H ATOM 681 N THR A1045 0.328 40.173 -1.874 1.00 18.75 N ATOM 682 CA THR A1045 0.664 38.828 -1.426 1.00 18.55 C ATOM 683 C THR A1045 2.176 38.663 -1.322 1.00 18.30 C ATOM 684 O THR A1045 2.969 39.434 -1.938 1.00 18.39 O ATOM 685 CB THR A1045 0.187 37.726 -2.379 1.00 18.95 C ATOM 686 OG1 THR A1045 0.972 37.734 -3.598 1.00 18.41 O ATOM 687 CG2 THR A1045 -1.279 37.836 -2.699 1.00 20.13 C ATOM 688 HG1 THR A1045 0.651 37.017 -4.201 1.00 0.00 H ATOM 689 H THR A1045 0.943 40.645 -2.567 1.00 0.00 H ATOM 690 N VAL A1046 2.585 37.631 -0.582 1.00 18.79 N ATOM 691 CA VAL A1046 4.033 37.317 -0.482 1.00 18.00 C ATOM 692 C VAL A1046 4.508 36.767 -1.800 1.00 19.93 C ATOM 693 O VAL A1046 5.664 37.010 -2.213 1.00 17.78 O ATOM 694 CB VAL A1046 4.378 36.411 0.723 1.00 17.75 C ATOM 695 CG1 VAL A1046 5.871 36.226 0.814 1.00 17.65 C ATOM 696 CG2 VAL A1046 3.907 37.064 2.046 1.00 18.33 C ATOM 697 H VAL A1046 1.890 37.047 -0.075 1.00 0.00 H ATOM 698 N LYS A1047 3.626 36.076 -2.530 1.00 21.59 N ATOM 699 CA LYS A1047 3.979 35.600 -3.862 1.00 22.87 C ATOM 700 C LYS A1047 4.392 36.734 -4.786 1.00 22.80 C ATOM 701 O LYS A1047 5.397 36.618 -5.519 1.00 22.53 O ATOM 702 CB LYS A1047 2.829 34.777 -4.491 1.00 24.44 C ATOM 703 CG LYS A1047 2.960 33.309 -4.196 1.00 26.01 C ATOM 704 CD LYS A1047 1.766 32.456 -4.605 1.00 27.60 C ATOM 705 CE LYS A1047 1.962 31.038 -4.073 1.00 28.43 C ATOM 706 NZ LYS A1047 1.730 30.862 -2.605 1.00 27.05 N ATOM 707 HZ1 LYS A1047 2.389 31.468 -2.076 1.00 0.00 H ATOM 708 HZ2 LYS A1047 0.751 31.129 -2.375 1.00 0.00 H ATOM 709 HZ3 LYS A1047 1.889 29.867 -2.347 1.00 0.00 H ATOM 710 H LYS A1047 2.681 35.877 -2.145 1.00 0.00 H ATOM 711 N ASP A1048 3.655 37.849 -4.758 1.00 22.69 N ATOM 712 CA ASP A1048 4.014 38.969 -5.621 1.00 23.25 C ATOM 713 C ASP A1048 5.348 39.636 -5.220 1.00 22.27 C ATOM 714 O ASP A1048 6.142 40.009 -6.099 1.00 20.22 O ATOM 715 CB ASP A1048 2.915 39.973 -5.674 1.00 25.73 C ATOM 716 CG ASP A1048 1.696 39.435 -6.473 1.00 26.68 C ATOM 717 OD1 ASP A1048 1.792 38.386 -7.128 1.00 32.31 O ATOM 718 OD2 ASP A1048 0.712 40.071 -6.466 1.00 32.93 O ATOM 719 H ASP A1048 2.832 37.917 -4.126 1.00 0.00 H ATOM 720 N TYR A1049 5.596 39.704 -3.912 1.00 20.22 N ATOM 721 CA TYR A1049 6.907 40.115 -3.389 1.00 19.02 C ATOM 722 C TYR A1049 8.042 39.197 -3.879 1.00 19.68 C ATOM 723 O TYR A1049 9.131 39.669 -4.347 1.00 17.67 O ATOM 724 CB TYR A1049 6.833 40.113 -1.878 1.00 17.57 C ATOM 725 CG TYR A1049 8.149 40.341 -1.165 1.00 16.19 C ATOM 726 CD1 TYR A1049 8.622 41.646 -0.922 1.00 16.32 C ATOM 727 CD2 TYR A1049 8.893 39.277 -0.692 1.00 15.93 C ATOM 728 CE1 TYR A1049 9.790 41.854 -0.206 1.00 15.43 C ATOM 729 CE2 TYR A1049 10.069 39.485 0.011 1.00 15.53 C ATOM 730 CZ TYR A1049 10.534 40.769 0.188 1.00 16.21 C ATOM 731 OH TYR A1049 11.702 40.964 0.931 1.00 15.85 O ATOM 732 HH TYR A1049 11.909 41.931 0.971 1.00 0.00 H ATOM 733 H TYR A1049 4.840 39.459 -3.242 1.00 0.00 H ATOM 734 N LEU A1050 7.828 37.887 -3.776 1.00 19.63 N ATOM 735 CA LEU A1050 8.882 36.949 -4.200 1.00 20.19 C ATOM 736 C LEU A1050 9.159 37.020 -5.683 1.00 21.56 C ATOM 737 O LEU A1050 10.284 36.682 -6.097 1.00 19.78 O ATOM 738 CB LEU A1050 8.603 35.534 -3.772 1.00 21.37 C ATOM 739 CG LEU A1050 8.724 35.349 -2.264 1.00 21.74 C ATOM 740 CD1 LEU A1050 8.141 33.988 -1.907 1.00 22.83 C ATOM 741 CD2 LEU A1050 10.168 35.485 -1.783 1.00 21.93 C ATOM 742 H LEU A1050 6.926 37.530 -3.400 1.00 0.00 H ATOM 743 N ARG A1051 8.194 37.426 -6.511 1.00 21.99 N ATOM 744 CA ARG A1051 8.487 37.600 -7.907 1.00 24.18 C ATOM 745 C ARG A1051 9.516 38.679 -8.139 1.00 21.56 C ATOM 746 O ARG A1051 10.340 38.524 -9.019 1.00 21.30 O ATOM 747 CB ARG A1051 7.226 37.934 -8.732 1.00 28.21 C ATOM 748 CG ARG A1051 6.299 36.750 -8.835 1.00 35.74 C ATOM 749 CD ARG A1051 5.576 36.781 -10.191 1.00 46.06 C ATOM 750 NE ARG A1051 4.902 38.058 -10.363 1.00 50.22 N ATOM 751 CZ ARG A1051 3.745 38.356 -9.771 1.00 58.62 C ATOM 752 NH1 ARG A1051 3.192 39.562 -9.948 1.00 58.19 N ATOM 753 NH2 ARG A1051 3.137 37.439 -9.002 1.00 57.23 N ATOM 754 HE ARG A1051 5.343 38.772 -10.977 1.00 0.00 H ATOM 755 HH12 ARG A1051 2.290 39.793 -9.486 1.00 0.00 H ATOM 756 HH11 ARG A1051 3.665 40.268 -10.548 1.00 0.00 H ATOM 757 HH22 ARG A1051 2.234 37.666 -8.538 1.00 0.00 H ATOM 758 HH21 ARG A1051 3.569 36.502 -8.871 1.00 0.00 H ATOM 759 H ARG A1051 7.238 37.615 -6.149 1.00 0.00 H ATOM 760 N ASP A1052 9.482 39.737 -7.325 1.00 19.49 N ATOM 761 CA ASP A1052 10.489 40.782 -7.388 1.00 19.03 C ATOM 762 C ASP A1052 11.854 40.355 -6.815 1.00 18.94 C ATOM 763 O ASP A1052 12.881 40.713 -7.421 1.00 18.79 O ATOM 764 CB ASP A1052 10.000 42.078 -6.785 1.00 19.56 C ATOM 765 CG ASP A1052 9.136 42.888 -7.772 1.00 21.64 C ATOM 766 OD1 ASP A1052 9.129 42.519 -8.984 1.00 22.92 O ATOM 767 OD2 ASP A1052 8.537 43.862 -7.325 1.00 21.29 O ATOM 768 H ASP A1052 8.714 39.815 -6.628 1.00 0.00 H ATOM 769 N ILE A1053 11.872 39.534 -5.770 1.00 18.23 N ATOM 770 CA ILE A1053 13.124 38.968 -5.277 1.00 18.27 C ATOM 771 C ILE A1053 13.724 38.071 -6.403 1.00 18.78 C ATOM 772 O ILE A1053 14.936 38.103 -6.730 1.00 18.17 O ATOM 773 CB ILE A1053 12.903 38.143 -3.976 1.00 18.60 C ATOM 774 CG1 ILE A1053 12.420 39.021 -2.812 1.00 18.59 C ATOM 775 CG2 ILE A1053 14.222 37.494 -3.562 1.00 19.26 C ATOM 776 CD1 ILE A1053 13.261 40.262 -2.453 1.00 18.69 C ATOM 777 H ILE A1053 10.979 39.291 -5.296 1.00 0.00 H ATOM 778 N ASP A1054 12.858 37.262 -7.024 1.00 18.58 N ATOM 779 CA ASP A1054 13.288 36.408 -8.082 1.00 20.02 C ATOM 780 C ASP A1054 13.856 37.226 -9.241 1.00 19.87 C ATOM 781 O ASP A1054 14.793 36.754 -9.886 1.00 21.31 O ATOM 782 CB ASP A1054 12.130 35.581 -8.617 1.00 22.25 C ATOM 783 CG ASP A1054 11.731 34.415 -7.700 1.00 24.66 C ATOM 784 OD1 ASP A1054 12.540 33.917 -6.961 1.00 29.25 O ATOM 785 OD2 ASP A1054 10.614 33.928 -7.923 1.00 31.48 O ATOM 786 H ASP A1054 11.860 37.256 -6.732 1.00 0.00 H ATOM 787 N LEU A1055 13.276 38.396 -9.525 1.00 20.20 N ATOM 788 CA LEU A1055 13.732 39.297 -10.574 1.00 21.61 C ATOM 789 C LEU A1055 15.146 39.873 -10.271 1.00 22.35 C ATOM 790 O LEU A1055 16.011 39.934 -11.149 1.00 22.85 O ATOM 791 CB LEU A1055 12.733 40.433 -10.728 1.00 22.80 C ATOM 792 CG LEU A1055 12.884 41.394 -11.885 1.00 27.47 C ATOM 793 CD1 LEU A1055 13.034 40.665 -13.252 1.00 27.85 C ATOM 794 CD2 LEU A1055 11.676 42.320 -11.857 1.00 28.16 C ATOM 795 H LEU A1055 12.449 38.680 -8.963 1.00 0.00 H ATOM 796 N ILE A1056 15.376 40.253 -9.021 1.00 21.07 N ATOM 797 CA ILE A1056 16.724 40.685 -8.600 1.00 20.53 C ATOM 798 C ILE A1056 17.722 39.614 -8.940 1.00 20.06 C ATOM 799 O ILE A1056 18.787 39.884 -9.568 1.00 21.53 O ATOM 800 CB ILE A1056 16.764 41.054 -7.114 1.00 20.17 C ATOM 801 CG1 ILE A1056 15.841 42.260 -6.852 1.00 19.21 C ATOM 802 CG2 ILE A1056 18.212 41.336 -6.688 1.00 19.89 C ATOM 803 CD1 ILE A1056 15.715 42.602 -5.383 1.00 19.72 C ATOM 804 H ILE A1056 14.599 40.247 -8.330 1.00 0.00 H ATOM 805 N CYS A1057 17.388 38.382 -8.602 1.00 19.67 N ATOM 806 CA CYS A1057 18.294 37.291 -8.818 1.00 20.73 C ATOM 807 C CYS A1057 18.440 36.968 -10.312 1.00 21.66 C ATOM 808 O CYS A1057 19.586 36.895 -10.812 1.00 21.43 O ATOM 809 CB CYS A1057 17.908 36.078 -7.982 1.00 20.86 C ATOM 810 SG CYS A1057 18.945 34.619 -8.223 1.00 25.25 S ATOM 811 H CYS A1057 16.458 38.201 -8.174 1.00 0.00 H ATOM 812 N SER A1058 17.329 36.784 -11.045 1.00 20.81 N ATOM 813 CA SER A1058 17.453 36.443 -12.443 1.00 21.90 C ATOM 814 C SER A1058 18.153 37.528 -13.248 1.00 22.35 C ATOM 815 O SER A1058 18.963 37.195 -14.145 1.00 22.62 O ATOM 816 CB SER A1058 16.095 36.080 -13.063 1.00 23.89 C ATOM 817 OG SER A1058 15.188 37.169 -13.009 1.00 25.28 O ATOM 818 HG SER A1058 15.565 37.936 -13.509 1.00 0.00 H ATOM 819 H SER A1058 16.390 36.886 -10.610 1.00 0.00 H ATOM 820 N ASN A1059 17.918 38.817 -12.929 1.00 21.17 N ATOM 821 CA ASN A1059 18.637 39.856 -13.610 1.00 22.83 C ATOM 822 C ASN A1059 20.164 39.669 -13.441 1.00 22.62 C ATOM 823 O ASN A1059 20.956 39.887 -14.387 1.00 24.42 O ATOM 824 CB ASN A1059 18.222 41.244 -13.121 1.00 22.92 C ATOM 825 CG ASN A1059 16.830 41.674 -13.609 1.00 24.19 C ATOM 826 OD1 ASN A1059 16.229 41.083 -14.541 1.00 26.44 O ATOM 827 ND2 ASN A1059 16.322 42.717 -13.009 1.00 23.02 N ATOM 828 HD22 ASN A1059 16.847 43.182 -12.241 1.00 0.00 H ATOM 829 HD21 ASN A1059 15.393 43.082 -13.299 1.00 0.00 H ATOM 830 H ASN A1059 17.221 39.056 -12.195 1.00 0.00 H ATOM 831 N ALA A1060 20.576 39.372 -12.201 1.00 22.33 N ATOM 832 CA ALA A1060 21.998 39.247 -11.897 1.00 22.12 C ATOM 833 C ALA A1060 22.574 38.049 -12.684 1.00 22.74 C ATOM 834 O ALA A1060 23.688 38.113 -13.181 1.00 23.68 O ATOM 835 CB ALA A1060 22.222 39.116 -10.401 1.00 22.00 C ATOM 836 H ALA A1060 19.875 39.229 -11.447 1.00 0.00 H ATOM 837 N LEU A1061 21.835 36.968 -12.781 1.00 24.20 N ATOM 838 CA LEU A1061 22.338 35.795 -13.523 1.00 26.29 C ATOM 839 C LEU A1061 22.442 36.062 -15.024 1.00 29.68 C ATOM 840 O LEU A1061 23.404 35.659 -15.671 1.00 31.82 O ATOM 841 CB LEU A1061 21.486 34.585 -13.237 1.00 28.67 C ATOM 842 CG LEU A1061 21.293 34.179 -11.786 1.00 28.09 C ATOM 843 CD1 LEU A1061 20.506 32.882 -11.688 1.00 30.07 C ATOM 844 CD2 LEU A1061 22.537 34.096 -10.954 1.00 28.16 C ATOM 845 H LEU A1061 20.896 36.938 -12.335 1.00 0.00 H ATOM 846 N GLU A1062 21.509 36.838 -15.549 1.00 27.17 N ATOM 847 CA GLU A1062 21.472 37.155 -16.984 1.00 29.55 C ATOM 848 C GLU A1062 22.533 38.152 -17.359 1.00 28.98 C ATOM 849 O GLU A1062 23.243 37.988 -18.382 1.00 27.77 O ATOM 850 CB GLU A1062 20.104 37.719 -17.397 1.00 29.94 C ATOM 851 CG GLU A1062 20.050 38.236 -18.835 1.00 31.90 C ATOM 852 CD GLU A1062 18.665 38.735 -19.245 1.00 34.27 C ATOM 853 OE1 GLU A1062 17.828 38.911 -18.359 1.00 32.51 O ATOM 854 OE2 GLU A1062 18.444 38.994 -20.453 1.00 37.27 O ATOM 855 H GLU A1062 20.778 37.237 -14.927 1.00 0.00 H ATOM 856 N TYR A1063 22.689 39.182 -16.529 1.00 27.79 N ATOM 857 CA TYR A1063 23.617 40.255 -16.842 1.00 27.36 C ATOM 858 C TYR A1063 25.105 39.891 -16.579 1.00 27.29 C ATOM 859 O TYR A1063 26.012 40.463 -17.198 1.00 27.86 O ATOM 860 CB TYR A1063 23.258 41.526 -16.061 1.00 27.41 C ATOM 861 CG TYR A1063 24.129 42.659 -16.534 1.00 30.88 C ATOM 862 CD1 TYR A1063 23.882 43.255 -17.769 1.00 33.33 C ATOM 863 CD2 TYR A1063 25.232 43.083 -15.796 1.00 32.93 C ATOM 864 CE1 TYR A1063 24.700 44.272 -18.258 1.00 35.81 C ATOM 865 CE2 TYR A1063 26.069 44.083 -16.275 1.00 36.84 C ATOM 866 CZ TYR A1063 25.799 44.672 -17.499 1.00 38.13 C ATOM 867 OH TYR A1063 26.611 45.665 -17.972 1.00 44.39 O ATOM 868 HH TYR A1063 26.277 45.972 -18.852 1.00 0.00 H ATOM 869 H TYR A1063 22.140 39.219 -15.646 1.00 0.00 H ATOM 870 N ASN A1064 25.341 38.915 -15.701 1.00 25.24 N ATOM 871 CA ASN A1064 26.695 38.504 -15.295 1.00 26.91 C ATOM 872 C ASN A1064 26.894 37.007 -15.478 1.00 27.33 C ATOM 873 O ASN A1064 27.037 36.275 -14.521 1.00 27.22 O ATOM 874 CB ASN A1064 26.952 38.876 -13.837 1.00 26.75 C ATOM 875 CG ASN A1064 26.619 40.333 -13.534 1.00 27.03 C ATOM 876 OD1 ASN A1064 27.414 41.217 -13.751 1.00 27.93 O ATOM 877 ND2 ASN A1064 25.445 40.555 -12.943 1.00 25.95 N ATOM 878 HD22 ASN A1064 24.790 39.765 -12.775 1.00 0.00 H ATOM 879 HD21 ASN A1064 25.184 41.518 -12.650 1.00 0.00 H ATOM 880 H ASN A1064 24.528 38.420 -15.282 1.00 0.00 H ATOM 881 N PRO A1065 26.944 36.547 -16.738 1.00 30.42 N ATOM 882 CA PRO A1065 26.842 35.116 -16.945 1.00 31.15 C ATOM 883 C PRO A1065 28.174 34.414 -17.117 1.00 32.66 C ATOM 884 O PRO A1065 28.178 33.193 -17.296 1.00 36.88 O ATOM 885 CB PRO A1065 26.061 35.030 -18.259 1.00 33.00 C ATOM 886 CG PRO A1065 26.562 36.208 -19.032 1.00 33.30 C ATOM 887 CD PRO A1065 26.855 37.292 -18.008 1.00 32.75 C ATOM 888 N ASP A1066 29.272 35.149 -17.016 1.00 32.31 N ATOM 889 CA ASP A1066 30.579 34.658 -17.491 1.00 34.70 C ATOM 890 C ASP A1066 31.295 33.853 -16.427 1.00 32.18 C ATOM 891 O ASP A1066 30.873 33.810 -15.249 1.00 28.48 O ATOM 892 CB ASP A1066 31.463 35.819 -17.951 1.00 38.04 C ATOM 893 CG ASP A1066 30.949 36.476 -19.268 1.00 45.30 C ATOM 894 OD1 ASP A1066 30.097 35.881 -19.971 1.00 41.95 O ATOM 895 OD2 ASP A1066 31.399 37.599 -19.591 1.00 52.58 O ATOM 896 H ASP A1066 29.210 36.096 -16.591 1.00 0.00 H ATOM 897 N ARG A1067 32.376 33.191 -16.831 1.00 31.11 N ATOM 898 CA ARG A1067 33.083 32.347 -15.852 1.00 29.58 C ATOM 899 C ARG A1067 34.025 33.168 -14.996 1.00 30.05 C ATOM 900 O ARG A1067 34.599 32.629 -14.098 1.00 29.09 O ATOM 901 CB ARG A1067 33.814 31.131 -16.480 1.00 28.98 C ATOM 902 CG ARG A1067 34.979 31.410 -17.420 1.00 29.04 C ATOM 903 CD ARG A1067 36.334 31.391 -16.729 1.00 27.23 C ATOM 904 NE ARG A1067 36.542 30.313 -15.769 1.00 25.77 N ATOM 905 CZ ARG A1067 37.419 30.416 -14.754 1.00 25.47 C ATOM 906 NH1 ARG A1067 38.098 31.558 -14.652 1.00 25.13 N ATOM 907 NH2 ARG A1067 37.602 29.423 -13.845 1.00 23.26 N ATOM 908 HE ARG A1067 35.994 29.435 -15.873 1.00 0.00 H ATOM 909 HH12 ARG A1067 38.788 31.686 -13.884 1.00 0.00 H ATOM 910 HH11 ARG A1067 37.938 32.321 -15.340 1.00 0.00 H ATOM 911 HH22 ARG A1067 38.291 29.543 -13.075 1.00 0.00 H ATOM 912 HH21 ARG A1067 37.053 28.543 -13.919 1.00 0.00 H ATOM 913 H ARG A1067 32.713 33.267 -17.812 1.00 0.00 H ATOM 914 N ASP A1068 34.166 34.468 -15.284 1.00 28.98 N ATOM 915 CA ASP A1068 35.156 35.229 -14.518 1.00 30.58 C ATOM 916 C ASP A1068 34.710 35.420 -13.060 1.00 27.39 C ATOM 917 O ASP A1068 33.518 35.322 -12.735 1.00 25.97 O ATOM 918 CB ASP A1068 35.508 36.566 -15.181 1.00 33.60 C ATOM 919 CG ASP A1068 34.326 37.487 -15.300 1.00 36.37 C ATOM 920 OD1 ASP A1068 33.948 38.117 -14.289 1.00 37.75 O ATOM 921 OD2 ASP A1068 33.788 37.599 -16.426 1.00 43.88 O ATOM 922 H ASP A1068 33.593 34.921 -16.025 1.00 0.00 H ATOM 923 N PRO A1069 35.684 35.627 -12.160 1.00 25.52 N ATOM 924 CA PRO A1069 35.332 35.607 -10.772 1.00 23.97 C ATOM 925 C PRO A1069 34.393 36.714 -10.354 1.00 21.81 C ATOM 926 O PRO A1069 33.647 36.560 -9.377 1.00 20.02 O ATOM 927 CB PRO A1069 36.682 35.704 -10.018 1.00 24.50 C ATOM 928 CG PRO A1069 37.707 35.449 -11.048 1.00 26.59 C ATOM 929 CD PRO A1069 37.161 35.603 -12.383 1.00 27.38 C ATOM 930 N GLY A1070 34.507 37.876 -10.968 1.00 21.77 N ATOM 931 CA GLY A1070 33.573 38.925 -10.598 1.00 22.90 C ATOM 932 C GLY A1070 32.125 38.538 -10.872 1.00 23.68 C ATOM 933 O GLY A1070 31.238 38.778 -10.036 1.00 22.94 O ATOM 934 H GLY A1070 35.238 38.035 -11.690 1.00 0.00 H ATOM 935 N ASP A1071 31.900 37.885 -12.025 1.00 24.48 N ATOM 936 CA ASP A1071 30.563 37.398 -12.385 1.00 25.78 C ATOM 937 C ASP A1071 30.149 36.239 -11.489 1.00 24.79 C ATOM 938 O ASP A1071 29.032 36.189 -11.003 1.00 24.01 O ATOM 939 CB ASP A1071 30.485 36.907 -13.841 1.00 27.01 C ATOM 940 CG ASP A1071 30.327 38.052 -14.844 1.00 31.18 C ATOM 941 OD1 ASP A1071 30.748 39.223 -14.584 1.00 31.70 O ATOM 942 OD2 ASP A1071 29.744 37.761 -15.904 1.00 33.15 O ATOM 943 H ASP A1071 32.693 37.721 -12.678 1.00 0.00 H ATOM 944 N ARG A1072 31.061 35.300 -11.258 1.00 24.18 N ATOM 945 CA ARG A1072 30.711 34.188 -10.381 1.00 24.84 C ATOM 946 C ARG A1072 30.315 34.672 -8.968 1.00 22.87 C ATOM 947 O ARG A1072 29.422 34.103 -8.344 1.00 21.34 O ATOM 948 CB ARG A1072 31.834 33.163 -10.345 1.00 26.96 C ATOM 949 CG ARG A1072 31.748 32.288 -11.565 1.00 30.32 C ATOM 950 CD ARG A1072 32.900 31.355 -11.777 1.00 34.87 C ATOM 951 NE ARG A1072 32.641 30.425 -12.888 1.00 38.35 N ATOM 952 CZ ARG A1072 33.548 29.559 -13.357 1.00 45.35 C ATOM 953 NH1 ARG A1072 34.773 29.529 -12.833 1.00 47.92 N ATOM 954 NH2 ARG A1072 33.247 28.723 -14.361 1.00 48.66 N ATOM 955 HE ARG A1072 31.701 30.441 -13.333 1.00 0.00 H ATOM 956 HH12 ARG A1072 35.478 28.857 -13.197 1.00 0.00 H ATOM 957 HH11 ARG A1072 35.024 30.178 -12.060 1.00 0.00 H ATOM 958 HH22 ARG A1072 33.962 28.056 -14.714 1.00 0.00 H ATOM 959 HH21 ARG A1072 32.298 28.742 -14.786 1.00 0.00 H ATOM 960 H ARG A1072 32.004 35.357 -11.693 1.00 0.00 H ATOM 961 N LEU A1073 31.005 35.704 -8.466 1.00 21.84 N ATOM 962 CA LEU A1073 30.731 36.216 -7.122 1.00 20.31 C ATOM 963 C LEU A1073 29.320 36.809 -7.039 1.00 20.23 C ATOM 964 O LEU A1073 28.531 36.462 -6.123 1.00 18.93 O ATOM 965 CB LEU A1073 31.805 37.218 -6.705 1.00 20.33 C ATOM 966 CG LEU A1073 31.605 37.886 -5.345 1.00 20.50 C ATOM 967 CD1 LEU A1073 31.577 36.905 -4.201 1.00 20.39 C ATOM 968 CD2 LEU A1073 32.691 38.898 -5.111 1.00 21.95 C ATOM 969 H LEU A1073 31.748 36.150 -9.041 1.00 0.00 H ATOM 970 N ILE A1074 29.007 37.679 -7.967 1.00 20.98 N ATOM 971 CA ILE A1074 27.710 38.279 -7.990 1.00 21.39 C ATOM 972 C ILE A1074 26.617 37.235 -8.165 1.00 20.73 C ATOM 973 O ILE A1074 25.584 37.363 -7.489 1.00 19.26 O ATOM 974 CB ILE A1074 27.576 39.449 -8.981 1.00 23.83 C ATOM 975 CG1 ILE A1074 26.258 40.192 -8.725 1.00 24.66 C ATOM 976 CG2 ILE A1074 27.545 38.943 -10.376 1.00 26.14 C ATOM 977 CD1 ILE A1074 26.169 41.577 -9.345 1.00 27.08 C ATOM 978 H ILE A1074 29.707 37.935 -8.692 1.00 0.00 H ATOM 979 N ARG A1075 26.808 36.221 -9.025 1.00 19.63 N ATOM 980 CA ARG A1075 25.792 35.175 -9.191 1.00 20.68 C ATOM 981 C ARG A1075 25.605 34.385 -7.895 1.00 20.70 C ATOM 982 O ARG A1075 24.494 34.024 -7.498 1.00 18.93 O ATOM 983 CB ARG A1075 26.097 34.225 -10.338 1.00 22.97 C ATOM 984 CG ARG A1075 26.135 34.865 -11.691 1.00 24.69 C ATOM 985 CD ARG A1075 25.812 33.802 -12.737 1.00 27.94 C ATOM 986 NE ARG A1075 26.804 32.748 -12.791 1.00 29.63 N ATOM 987 CZ ARG A1075 27.989 32.833 -13.386 1.00 32.10 C ATOM 988 NH1 ARG A1075 28.382 33.942 -14.008 1.00 32.61 N ATOM 989 NH2 ARG A1075 28.815 31.779 -13.371 1.00 34.28 N ATOM 990 HE ARG A1075 26.569 31.849 -12.325 1.00 0.00 H ATOM 991 HH12 ARG A1075 29.316 33.979 -14.465 1.00 0.00 H ATOM 992 HH11 ARG A1075 27.756 34.772 -14.037 1.00 0.00 H ATOM 993 HH22 ARG A1075 29.744 31.840 -13.835 1.00 0.00 H ATOM 994 HH21 ARG A1075 28.528 30.900 -12.895 1.00 0.00 H ATOM 995 H ARG A1075 27.686 36.177 -9.580 1.00 0.00 H ATOM 996 N HIS A1076 26.722 34.110 -7.198 1.00 19.70 N ATOM 997 CA HIS A1076 26.606 33.415 -5.934 1.00 19.44 C ATOM 998 C HIS A1076 25.814 34.221 -4.908 1.00 18.68 C ATOM 999 O HIS A1076 24.958 33.662 -4.167 1.00 19.63 O ATOM 1000 CB HIS A1076 27.991 33.075 -5.368 1.00 19.84 C ATOM 1001 CG HIS A1076 27.960 32.117 -4.225 1.00 20.03 C ATOM 1002 ND1 HIS A1076 27.979 32.509 -2.897 1.00 20.76 N ATOM 1003 CD2 HIS A1076 27.926 30.768 -4.217 1.00 21.63 C ATOM 1004 CE1 HIS A1076 27.954 31.428 -2.129 1.00 21.41 C ATOM 1005 NE2 HIS A1076 27.958 30.361 -2.907 1.00 21.58 N ATOM 1006 H HIS A1076 27.654 34.392 -7.562 1.00 0.00 H ATOM 1007 N ARG A1077 26.100 35.504 -4.859 1.00 17.94 N ATOM 1008 CA ARG A1077 25.408 36.393 -3.970 1.00 18.69 C ATOM 1009 C ARG A1077 23.934 36.540 -4.333 1.00 19.60 C ATOM 1010 O ARG A1077 23.066 36.557 -3.414 1.00 18.14 O ATOM 1011 CB ARG A1077 26.074 37.744 -3.973 1.00 19.47 C ATOM 1012 CG ARG A1077 27.446 37.745 -3.283 1.00 19.40 C ATOM 1013 CD ARG A1077 28.156 39.054 -3.548 1.00 20.72 C ATOM 1014 NE ARG A1077 29.315 39.210 -2.671 1.00 21.44 N ATOM 1015 CZ ARG A1077 30.177 40.214 -2.739 1.00 23.16 C ATOM 1016 NH1 ARG A1077 30.069 41.153 -3.659 1.00 23.01 N ATOM 1017 NH2 ARG A1077 31.167 40.260 -1.863 1.00 24.96 N ATOM 1018 HE ARG A1077 29.474 38.483 -1.944 1.00 0.00 H ATOM 1019 HH12 ARG A1077 30.758 41.931 -3.691 1.00 0.00 H ATOM 1020 HH11 ARG A1077 29.294 41.115 -4.352 1.00 0.00 H ATOM 1021 HH22 ARG A1077 31.856 41.039 -1.897 1.00 0.00 H ATOM 1022 HH21 ARG A1077 31.257 39.518 -1.140 1.00 0.00 H ATOM 1023 H ARG A1077 26.845 35.883 -5.479 1.00 0.00 H ATOM 1024 N ALA A1078 23.657 36.556 -5.624 1.00 20.11 N ATOM 1025 CA ALA A1078 22.231 36.612 -6.090 1.00 21.03 C ATOM 1026 C ALA A1078 21.420 35.395 -5.669 1.00 21.70 C ATOM 1027 O ALA A1078 20.282 35.522 -5.118 1.00 20.50 O ATOM 1028 CB ALA A1078 22.214 36.782 -7.567 1.00 21.75 C ATOM 1029 H ALA A1078 24.429 36.530 -6.320 1.00 0.00 H ATOM 1030 N CYS A1079 21.984 34.209 -5.901 1.00 21.63 N ATOM 1031 CA CYS A1079 21.415 32.971 -5.419 1.00 22.88 C ATOM 1032 C CYS A1079 21.221 32.925 -3.916 1.00 21.66 C ATOM 1033 O CYS A1079 20.195 32.464 -3.421 1.00 19.37 O ATOM 1034 CB CYS A1079 22.225 31.808 -5.901 1.00 25.54 C ATOM 1035 SG CYS A1079 22.033 31.586 -7.697 1.00 30.08 S ATOM 1036 H CYS A1079 22.867 34.174 -6.450 1.00 0.00 H ATOM 1037 N ALA A1080 22.188 33.477 -3.170 1.00 20.13 N ATOM 1038 CA ALA A1080 22.101 33.549 -1.730 1.00 19.75 C ATOM 1039 C ALA A1080 21.012 34.498 -1.294 1.00 19.80 C ATOM 1040 O ALA A1080 20.286 34.191 -0.366 1.00 19.92 O ATOM 1041 CB ALA A1080 23.472 33.954 -1.090 1.00 19.17 C ATOM 1042 H ALA A1080 23.028 33.866 -3.643 1.00 0.00 H ATOM 1043 N LEU A1081 20.843 35.612 -1.984 1.00 18.92 N ATOM 1044 CA LEU A1081 19.750 36.535 -1.646 1.00 19.21 C ATOM 1045 C LEU A1081 18.429 35.815 -1.810 1.00 18.90 C ATOM 1046 O LEU A1081 17.541 35.909 -0.930 1.00 18.28 O ATOM 1047 CB LEU A1081 19.824 37.772 -2.546 1.00 20.43 C ATOM 1048 CG LEU A1081 18.616 38.686 -2.528 1.00 22.36 C ATOM 1049 CD1 LEU A1081 18.684 39.444 -1.254 1.00 22.71 C ATOM 1050 CD2 LEU A1081 18.619 39.606 -3.734 1.00 25.45 C ATOM 1051 H LEU A1081 21.486 35.837 -2.770 1.00 0.00 H ATOM 1052 N ARG A1082 18.255 35.172 -2.961 1.00 20.45 N ATOM 1053 CA ARG A1082 17.018 34.437 -3.270 1.00 21.07 C ATOM 1054 C ARG A1082 16.765 33.368 -2.215 1.00 20.83 C ATOM 1055 O ARG A1082 15.684 33.285 -1.631 1.00 19.46 O ATOM 1056 CB ARG A1082 17.124 33.806 -4.654 1.00 23.09 C ATOM 1057 CG ARG A1082 15.976 32.886 -5.066 1.00 24.35 C ATOM 1058 CD ARG A1082 16.422 31.911 -6.151 1.00 26.93 C ATOM 1059 NE ARG A1082 17.499 31.027 -5.695 1.00 27.41 N ATOM 1060 CZ ARG A1082 18.369 30.431 -6.490 1.00 29.28 C ATOM 1061 NH1 ARG A1082 18.333 30.618 -7.808 1.00 32.00 N ATOM 1062 NH2 ARG A1082 19.282 29.644 -5.974 1.00 30.33 N ATOM 1063 HE ARG A1082 17.584 30.857 -4.672 1.00 0.00 H ATOM 1064 HH12 ARG A1082 19.026 30.141 -8.420 1.00 0.00 H ATOM 1065 HH11 ARG A1082 17.612 31.241 -8.225 1.00 0.00 H ATOM 1066 HH22 ARG A1082 19.971 29.171 -6.593 1.00 0.00 H ATOM 1067 HH21 ARG A1082 19.317 29.493 -4.946 1.00 0.00 H ATOM 1068 H ARG A1082 19.019 35.189 -3.667 1.00 0.00 H ATOM 1069 N ASP A1083 17.765 32.541 -1.956 1.00 20.41 N ATOM 1070 CA ASP A1083 17.612 31.451 -1.001 1.00 20.84 C ATOM 1071 C ASP A1083 17.308 31.937 0.426 1.00 18.75 C ATOM 1072 O ASP A1083 16.495 31.336 1.141 1.00 18.56 O ATOM 1073 CB ASP A1083 18.848 30.578 -0.977 1.00 23.94 C ATOM 1074 CG ASP A1083 19.058 29.802 -2.283 1.00 28.40 C ATOM 1075 OD1 ASP A1083 18.155 29.736 -3.163 1.00 29.68 O ATOM 1076 OD2 ASP A1083 20.173 29.288 -2.402 1.00 29.70 O ATOM 1077 H ASP A1083 18.675 32.671 -2.442 1.00 0.00 H ATOM 1078 N THR A1084 17.926 33.036 0.806 1.00 17.49 N ATOM 1079 CA THR A1084 17.748 33.579 2.126 1.00 17.64 C ATOM 1080 C THR A1084 16.313 34.102 2.283 1.00 16.83 C ATOM 1081 O THR A1084 15.671 33.877 3.314 1.00 17.11 O ATOM 1082 CB THR A1084 18.792 34.671 2.424 1.00 17.80 C ATOM 1083 OG1 THR A1084 20.101 34.076 2.414 1.00 17.84 O ATOM 1084 CG2 THR A1084 18.571 35.295 3.743 1.00 18.30 C ATOM 1085 HG1 THR A1084 20.275 33.679 1.524 1.00 0.00 H ATOM 1086 H THR A1084 18.557 33.522 0.137 1.00 0.00 H ATOM 1087 N ALA A1085 15.851 34.845 1.309 1.00 17.11 N ATOM 1088 CA ALA A1085 14.462 35.362 1.316 1.00 16.44 C ATOM 1089 C ALA A1085 13.504 34.212 1.388 1.00 16.39 C ATOM 1090 O ALA A1085 12.593 34.213 2.251 1.00 16.34 O ATOM 1091 CB ALA A1085 14.205 36.240 0.108 1.00 16.68 C ATOM 1092 H ALA A1085 16.475 35.078 0.510 1.00 0.00 H ATOM 1093 N TYR A1086 13.671 33.190 0.558 1.00 16.88 N ATOM 1094 CA TYR A1086 12.763 32.054 0.632 1.00 18.25 C ATOM 1095 C TYR A1086 12.822 31.322 1.960 1.00 18.36 C ATOM 1096 O TYR A1086 11.788 30.864 2.426 1.00 19.18 O ATOM 1097 CB TYR A1086 12.961 31.087 -0.537 1.00 20.29 C ATOM 1098 CG TYR A1086 12.252 31.476 -1.803 1.00 20.38 C ATOM 1099 CD1 TYR A1086 12.791 32.399 -2.698 1.00 20.12 C ATOM 1100 CD2 TYR A1086 11.030 30.892 -2.148 1.00 23.44 C ATOM 1101 CE1 TYR A1086 12.157 32.725 -3.888 1.00 21.71 C ATOM 1102 CE2 TYR A1086 10.386 31.239 -3.329 1.00 22.98 C ATOM 1103 CZ TYR A1086 10.960 32.144 -4.199 1.00 23.63 C ATOM 1104 OH TYR A1086 10.343 32.464 -5.404 1.00 25.74 O ATOM 1105 HH TYR A1086 10.896 33.124 -5.892 1.00 0.00 H ATOM 1106 H TYR A1086 14.443 33.200 -0.139 1.00 0.00 H ATOM 1107 N ALA A1087 14.000 31.234 2.575 1.00 17.53 N ATOM 1108 CA ALA A1087 14.144 30.483 3.844 1.00 18.87 C ATOM 1109 C ALA A1087 13.473 31.260 4.970 1.00 18.71 C ATOM 1110 O ALA A1087 12.858 30.670 5.850 1.00 18.64 O ATOM 1111 CB ALA A1087 15.608 30.291 4.192 1.00 19.14 C ATOM 1112 H ALA A1087 14.831 31.699 2.158 1.00 0.00 H ATOM 1113 N ILE A1088 13.655 32.587 4.971 1.00 17.63 N ATOM 1114 CA ILE A1088 13.002 33.393 6.012 1.00 18.14 C ATOM 1115 C ILE A1088 11.502 33.241 5.871 1.00 18.12 C ATOM 1116 O ILE A1088 10.808 33.011 6.867 1.00 18.52 O ATOM 1117 CB ILE A1088 13.363 34.879 5.877 1.00 18.28 C ATOM 1118 CG1 ILE A1088 14.818 35.074 6.302 1.00 19.54 C ATOM 1119 CG2 ILE A1088 12.444 35.765 6.758 1.00 17.70 C ATOM 1120 CD1 ILE A1088 15.383 36.419 5.946 1.00 19.92 C ATOM 1121 H ILE A1088 14.249 33.040 4.247 1.00 0.00 H ATOM 1122 N ILE A1089 11.005 33.321 4.641 1.00 18.88 N ATOM 1123 CA ILE A1089 9.558 33.180 4.374 1.00 19.88 C ATOM 1124 C ILE A1089 9.048 31.811 4.778 1.00 20.46 C ATOM 1125 O ILE A1089 8.025 31.676 5.482 1.00 18.14 O ATOM 1126 CB ILE A1089 9.245 33.656 2.953 1.00 22.26 C ATOM 1127 CG1 ILE A1089 9.322 35.196 2.969 1.00 24.24 C ATOM 1128 CG2 ILE A1089 7.917 33.103 2.459 1.00 24.84 C ATOM 1129 CD1 ILE A1089 9.602 35.812 1.613 1.00 26.63 C ATOM 1130 H ILE A1089 11.652 33.487 3.844 1.00 0.00 H ATOM 1131 N LYS A1090 9.797 30.773 4.431 1.00 20.47 N ATOM 1132 CA LYS A1090 9.410 29.419 4.862 1.00 23.26 C ATOM 1133 C LYS A1090 9.230 29.287 6.372 1.00 23.85 C ATOM 1134 O LYS A1090 8.276 28.652 6.831 1.00 24.06 O ATOM 1135 CB LYS A1090 10.428 28.386 4.349 1.00 26.55 C ATOM 1136 CG LYS A1090 10.024 26.931 4.575 1.00 32.51 C ATOM 1137 CD LYS A1090 11.148 25.975 4.201 1.00 38.33 C ATOM 1138 CE LYS A1090 10.771 24.533 4.568 1.00 45.65 C ATOM 1139 NZ LYS A1090 9.562 24.067 3.830 1.00 49.76 N ATOM 1140 HZ1 LYS A1090 8.757 24.683 4.062 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 9.746 24.105 2.807 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 9.343 23.089 4.108 1.00 0.00 H ATOM 1143 H LYS A1090 10.653 30.914 3.858 1.00 0.00 H ATOM 1144 N GLU A1091 10.111 29.903 7.136 1.00 23.06 N ATOM 1145 CA GLU A1091 10.096 29.809 8.558 1.00 24.17 C ATOM 1146 C GLU A1091 9.071 30.730 9.198 1.00 23.97 C ATOM 1147 O GLU A1091 8.546 30.407 10.279 1.00 24.98 O ATOM 1148 CB GLU A1091 11.475 30.160 9.103 1.00 26.67 C ATOM 1149 CG GLU A1091 11.735 29.587 10.474 1.00 29.56 C ATOM 1150 CD GLU A1091 12.092 28.110 10.410 1.00 33.79 C ATOM 1151 OE1 GLU A1091 11.145 27.283 10.367 1.00 33.87 O ATOM 1152 OE2 GLU A1091 13.323 27.786 10.424 1.00 37.02 O ATOM 1153 H GLU A1091 10.847 30.481 6.682 1.00 0.00 H ATOM 1154 N GLU A1092 8.815 31.881 8.570 1.00 19.41 N ATOM 1155 CA GLU A1092 8.109 32.963 9.276 1.00 19.14 C ATOM 1156 C GLU A1092 6.784 33.416 8.701 1.00 17.52 C ATOM 1157 O GLU A1092 6.031 34.098 9.393 1.00 19.42 O ATOM 1158 CB GLU A1092 9.056 34.153 9.434 1.00 18.55 C ATOM 1159 CG GLU A1092 10.304 33.820 10.210 1.00 19.46 C ATOM 1160 CD GLU A1092 11.318 34.955 10.276 1.00 19.69 C ATOM 1161 OE1 GLU A1092 10.912 36.145 10.313 1.00 18.23 O ATOM 1162 OE2 GLU A1092 12.544 34.684 10.337 1.00 19.11 O ATOM 1163 H GLU A1092 9.114 32.013 7.583 1.00 0.00 H ATOM 1164 N LEU A1093 6.466 32.998 7.496 1.00 17.75 N ATOM 1165 CA LEU A1093 5.162 33.292 6.926 1.00 17.79 C ATOM 1166 C LEU A1093 4.162 32.228 7.286 1.00 19.21 C ATOM 1167 O LEU A1093 4.350 31.066 6.929 1.00 19.00 O ATOM 1168 CB LEU A1093 5.262 33.360 5.416 1.00 19.50 C ATOM 1169 CG LEU A1093 3.933 33.525 4.650 1.00 21.05 C ATOM 1170 CD1 LEU A1093 3.268 34.815 5.002 1.00 19.20 C ATOM 1171 CD2 LEU A1093 4.194 33.493 3.155 1.00 21.61 C ATOM 1172 H LEU A1093 7.156 32.450 6.944 1.00 0.00 H ATOM 1173 N ASP A1094 3.059 32.610 7.937 1.00 18.42 N ATOM 1174 CA ASP A1094 1.994 31.657 8.171 1.00 20.12 C ATOM 1175 C ASP A1094 1.261 31.360 6.865 1.00 20.02 C ATOM 1176 O ASP A1094 0.827 32.286 6.163 1.00 18.14 O ATOM 1177 CB ASP A1094 1.055 32.211 9.245 1.00 21.38 C ATOM 1178 CG ASP A1094 -0.004 31.216 9.614 1.00 24.05 C ATOM 1179 OD1 ASP A1094 -0.863 30.950 8.755 1.00 25.16 O ATOM 1180 OD2 ASP A1094 0.062 30.634 10.691 1.00 23.63 O ATOM 1181 H ASP A1094 2.966 33.589 8.275 1.00 0.00 H ATOM 1182 N GLU A1095 1.133 30.087 6.511 1.00 21.03 N ATOM 1183 CA GLU A1095 0.527 29.707 5.210 1.00 23.02 C ATOM 1184 C GLU A1095 -0.929 30.189 5.093 1.00 21.45 C ATOM 1185 O GLU A1095 -1.380 30.511 4.003 1.00 20.53 O ATOM 1186 CB GLU A1095 0.586 28.203 4.953 1.00 27.25 C ATOM 1187 CG GLU A1095 1.979 27.678 4.694 1.00 32.67 C ATOM 1188 CD GLU A1095 2.056 26.153 4.498 1.00 40.75 C ATOM 1189 OE1 GLU A1095 1.023 25.418 4.604 1.00 43.99 O ATOM 1190 OE2 GLU A1095 3.192 25.715 4.228 1.00 48.23 O ATOM 1191 H GLU A1095 1.463 29.342 7.157 1.00 0.00 H ATOM 1192 N ASP A1096 -1.636 30.222 6.212 1.00 20.86 N ATOM 1193 CA ASP A1096 -3.035 30.651 6.210 1.00 21.73 C ATOM 1194 C ASP A1096 -3.154 32.166 6.052 1.00 20.17 C ATOM 1195 O ASP A1096 -4.131 32.659 5.470 1.00 19.48 O ATOM 1196 CB ASP A1096 -3.749 30.204 7.492 1.00 22.27 C ATOM 1197 CG ASP A1096 -3.980 28.698 7.554 1.00 26.42 C ATOM 1198 OD1 ASP A1096 -4.162 28.058 6.519 1.00 28.31 O ATOM 1199 OD2 ASP A1096 -3.907 28.177 8.679 1.00 29.11 O ATOM 1200 H ASP A1096 -1.190 29.938 7.107 1.00 0.00 H ATOM 1201 N PHE A1097 -2.138 32.906 6.528 1.00 19.07 N ATOM 1202 CA PHE A1097 -2.081 34.336 6.307 1.00 18.23 C ATOM 1203 C PHE A1097 -1.866 34.623 4.823 1.00 18.53 C ATOM 1204 O PHE A1097 -2.589 35.438 4.223 1.00 18.16 O ATOM 1205 CB PHE A1097 -0.984 34.981 7.175 1.00 17.22 C ATOM 1206 CG PHE A1097 -0.847 36.448 6.942 1.00 16.88 C ATOM 1207 CD1 PHE A1097 -1.617 37.346 7.699 1.00 17.98 C ATOM 1208 CD2 PHE A1097 -0.028 36.948 5.949 1.00 17.63 C ATOM 1209 CE1 PHE A1097 -1.532 38.720 7.482 1.00 17.80 C ATOM 1210 CE2 PHE A1097 0.057 38.323 5.710 1.00 17.81 C ATOM 1211 CZ PHE A1097 -0.705 39.197 6.455 1.00 16.79 C ATOM 1212 H PHE A1097 -1.378 32.443 7.066 1.00 0.00 H ATOM 1213 N GLU A1098 -0.894 33.959 4.189 1.00 18.14 N ATOM 1214 CA GLU A1098 -0.714 34.100 2.767 1.00 18.39 C ATOM 1215 C GLU A1098 -1.996 33.692 1.995 1.00 19.26 C ATOM 1216 O GLU A1098 -2.348 34.299 0.992 1.00 18.59 O ATOM 1217 CB GLU A1098 0.479 33.236 2.294 1.00 19.10 C ATOM 1218 CG GLU A1098 0.742 33.220 0.797 1.00 19.09 C ATOM 1219 CD GLU A1098 0.983 34.583 0.157 1.00 19.81 C ATOM 1220 OE1 GLU A1098 1.285 35.548 0.887 1.00 19.36 O ATOM 1221 OE2 GLU A1098 0.954 34.650 -1.085 1.00 21.60 O ATOM 1222 H GLU A1098 -0.261 33.334 4.728 1.00 0.00 H ATOM 1223 N GLN A1099 -2.647 32.619 2.445 1.00 19.74 N ATOM 1224 CA GLN A1099 -3.839 32.160 1.738 1.00 21.36 C ATOM 1225 C GLN A1099 -4.929 33.226 1.768 1.00 20.49 C ATOM 1226 O GLN A1099 -5.587 33.485 0.715 1.00 22.46 O ATOM 1227 CB GLN A1099 -4.332 30.836 2.277 1.00 22.28 C ATOM 1228 CG GLN A1099 -5.487 30.260 1.463 1.00 23.59 C ATOM 1229 CD GLN A1099 -5.121 29.839 0.051 1.00 26.02 C ATOM 1230 OE1 GLN A1099 -3.995 29.413 -0.215 1.00 28.46 O ATOM 1231 NE2 GLN A1099 -6.051 29.986 -0.869 1.00 26.61 N ATOM 1232 HE22 GLN A1099 -6.990 30.349 -0.606 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -5.847 29.740 -1.859 1.00 0.00 H ATOM 1234 H GLN A1099 -2.310 32.115 3.290 1.00 0.00 H ATOM 1235 N LEU A1100 -5.077 33.856 2.911 1.00 19.12 N ATOM 1236 CA LEU A1100 -6.015 34.968 3.083 1.00 18.57 C ATOM 1237 C LEU A1100 -5.679 36.088 2.109 1.00 19.52 C ATOM 1238 O LEU A1100 -6.549 36.603 1.373 1.00 19.08 O ATOM 1239 CB LEU A1100 -6.023 35.462 4.509 1.00 18.84 C ATOM 1240 CG LEU A1100 -6.938 36.640 4.910 1.00 18.44 C ATOM 1241 CD1 LEU A1100 -8.361 36.465 4.361 1.00 19.99 C ATOM 1242 CD2 LEU A1100 -6.913 36.976 6.389 1.00 19.18 C ATOM 1243 H LEU A1100 -4.506 33.554 3.726 1.00 0.00 H ATOM 1244 N CYS A1101 -4.406 36.509 2.117 1.00 18.59 N ATOM 1245 CA CYS A1101 -4.016 37.575 1.179 1.00 19.65 C ATOM 1246 C CYS A1101 -4.388 37.252 -0.262 1.00 20.29 C ATOM 1247 O CYS A1101 -4.852 38.122 -1.012 1.00 21.39 O ATOM 1248 CB CYS A1101 -2.525 37.825 1.301 1.00 18.31 C ATOM 1249 SG CYS A1101 -1.961 38.603 2.821 1.00 19.43 S ATOM 1250 H CYS A1101 -3.711 36.093 2.770 1.00 0.00 H ATOM 1251 N GLU A1102 -4.131 36.016 -0.690 1.00 21.02 N ATOM 1252 CA GLU A1102 -4.340 35.587 -2.045 1.00 23.70 C ATOM 1253 C GLU A1102 -5.818 35.625 -2.344 1.00 24.51 C ATOM 1254 O GLU A1102 -6.246 36.035 -3.427 1.00 26.15 O ATOM 1255 CB GLU A1102 -3.721 34.183 -2.295 1.00 24.20 C ATOM 1256 CG GLU A1102 -2.172 34.229 -2.362 1.00 24.63 C ATOM 1257 CD GLU A1102 -1.484 32.897 -2.588 1.00 26.32 C ATOM 1258 OE1 GLU A1102 -2.170 31.973 -3.088 1.00 29.45 O ATOM 1259 OE2 GLU A1102 -0.249 32.755 -2.280 1.00 25.86 O ATOM 1260 H GLU A1102 -3.759 35.326 -0.007 1.00 0.00 H ATOM 1261 N GLU A1103 -6.625 35.238 -1.347 1.00 24.51 N ATOM 1262 CA GLU A1103 -8.065 35.230 -1.562 1.00 24.72 C ATOM 1263 C GLU A1103 -8.659 36.630 -1.662 1.00 24.63 C ATOM 1264 O GLU A1103 -9.535 36.857 -2.528 1.00 26.84 O ATOM 1265 CB GLU A1103 -8.791 34.321 -0.539 1.00 23.38 C ATOM 1266 CG GLU A1103 -8.511 32.868 -0.844 1.00 23.61 C ATOM 1267 CD GLU A1103 -9.154 31.832 0.069 1.00 24.18 C ATOM 1268 OE1 GLU A1103 -9.998 32.174 0.898 1.00 22.35 O ATOM 1269 OE2 GLU A1103 -8.780 30.641 -0.095 1.00 24.77 O ATOM 1270 H GLU A1103 -6.228 34.947 -0.431 1.00 0.00 H ATOM 1271 N ILE A1104 -8.168 37.568 -0.864 1.00 23.83 N ATOM 1272 CA ILE A1104 -8.592 38.936 -0.951 1.00 25.33 C ATOM 1273 C ILE A1104 -8.173 39.459 -2.341 1.00 28.66 C ATOM 1274 O ILE A1104 -9.012 39.971 -3.119 1.00 30.24 O ATOM 1275 CB ILE A1104 -8.010 39.789 0.167 1.00 25.06 C ATOM 1276 CG1 ILE A1104 -8.415 39.280 1.560 1.00 23.38 C ATOM 1277 CG2 ILE A1104 -8.490 41.212 0.021 1.00 26.20 C ATOM 1278 CD1 ILE A1104 -7.593 39.876 2.650 1.00 23.01 C ATOM 1279 H ILE A1104 -7.455 37.305 -0.154 1.00 0.00 H ATOM 1280 N GLN A1105 -6.917 39.231 -2.725 1.00 28.34 N ATOM 1281 CA GLN A1105 -6.441 39.761 -4.014 1.00 31.67 C ATOM 1282 C GLN A1105 -7.334 39.231 -5.141 1.00 33.78 C ATOM 1283 O GLN A1105 -7.712 39.967 -6.044 1.00 34.23 O ATOM 1284 CB GLN A1105 -4.986 39.344 -4.275 1.00 30.25 C ATOM 1285 CG GLN A1105 -4.449 39.679 -5.664 1.00 33.17 C ATOM 1286 CD GLN A1105 -3.063 39.139 -5.866 1.00 33.35 C ATOM 1287 OE1 GLN A1105 -2.841 37.935 -5.707 1.00 34.58 O ATOM 1288 NE2 GLN A1105 -2.101 40.010 -6.182 1.00 34.19 N ATOM 1289 HE22 GLN A1105 -2.331 41.016 -6.307 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -1.122 39.682 -6.303 1.00 0.00 H ATOM 1291 H GLN A1105 -6.276 38.682 -2.117 1.00 0.00 H ATOM 1292 N GLU A1106 -7.666 37.942 -5.082 1.00 36.97 N ATOM 1293 CA GLU A1106 -8.419 37.306 -6.182 1.00 39.48 C ATOM 1294 C GLU A1106 -9.866 37.770 -6.210 1.00 41.83 C ATOM 1295 O GLU A1106 -10.546 37.561 -7.229 1.00 43.37 O ATOM 1296 CB GLU A1106 -8.431 35.793 -6.055 1.00 44.18 C ATOM 1297 CG GLU A1106 -7.146 35.039 -6.341 1.00 50.60 C ATOM 1298 CD GLU A1106 -7.330 33.547 -6.060 1.00 60.35 C ATOM 1299 OE1 GLU A1106 -7.822 32.828 -6.972 1.00 68.36 O ATOM 1300 OE2 GLU A1106 -7.029 33.097 -4.920 1.00 61.26 O ATOM 1301 H GLU A1106 -7.392 37.378 -4.253 1.00 0.00 H ATOM 1302 N SER A1107 -10.355 38.363 -5.115 1.00 40.39 N ATOM 1303 CA SER A1107 -11.718 38.922 -5.073 1.00 44.84 C ATOM 1304 C SER A1107 -11.813 40.355 -5.625 1.00 48.98 C ATOM 1305 O SER A1107 -12.917 40.857 -5.797 1.00 51.07 O ATOM 1306 CB SER A1107 -12.290 38.909 -3.647 1.00 40.59 C ATOM 1307 OG SER A1107 -11.673 39.917 -2.847 1.00 40.55 O ATOM 1308 HG SER A1107 -12.055 39.892 -1.934 1.00 0.00 H ATOM 1309 H SER A1107 -9.755 38.432 -4.268 1.00 0.00 H ATOM 1310 N ARG A1108 -10.682 41.017 -5.856 1.00 50.49 N ATOM 1311 CA ARG A1108 -10.688 42.405 -6.315 1.00 57.34 C ATOM 1312 C ARG A1108 -10.482 42.511 -7.834 1.00 62.89 C ATOM 1313 O ARG A1108 -10.655 43.602 -8.363 1.00 72.11 O ATOM 1314 CB ARG A1108 -9.648 43.240 -5.550 1.00 54.87 C ATOM 1315 CG ARG A1108 -9.844 43.185 -4.032 1.00 55.30 C ATOM 1316 CD ARG A1108 -9.096 44.267 -3.256 1.00 50.98 C ATOM 1317 NE ARG A1108 -9.543 44.331 -1.857 1.00 47.00 N ATOM 1318 CZ ARG A1108 -8.957 45.059 -0.894 1.00 45.30 C ATOM 1319 NH1 ARG A1108 -9.439 45.049 0.340 1.00 41.49 N ATOM 1320 NH2 ARG A1108 -7.883 45.809 -1.153 1.00 46.87 N ATOM 1321 OXT ARG A1108 -10.161 41.561 -8.569 1.00 61.52 O ATOM 1322 HE ARG A1108 -10.377 43.769 -1.593 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -8.980 45.615 1.082 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -10.276 44.475 0.567 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -7.443 46.366 -0.393 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -7.487 45.836 -2.114 1.00 0.00 H ATOM 1327 H ARG A1108 -9.772 40.536 -5.706 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 19.675 44.454 -8.180 1.00 22.29 O HETATM 1330 O HOH 2 15.739 28.723 0.520 1.00 25.25 O HETATM 1331 O HOH 3 -0.119 29.673 1.747 1.00 32.99 O HETATM 1332 O HOH 4 8.477 46.070 9.487 1.00 13.62 O HETATM 1333 O HOH 5 14.705 42.216 -16.539 1.00 27.83 O HETATM 1334 O HOH 6 8.928 45.249 12.057 1.00 15.02 O HETATM 1335 O HOH 7 17.929 38.004 9.738 1.00 29.37 O HETATM 1336 O HOH 8 5.643 29.182 5.573 1.00 42.29 O HETATM 1337 O HOH 9 10.297 37.156 -11.404 1.00 22.79 O HETATM 1338 O HOH 10 6.857 48.248 9.278 1.00 16.97 O HETATM 1339 O HOH 11 12.679 36.236 -12.385 1.00 28.64 O HETATM 1340 O HOH 12 -4.432 27.882 3.826 1.00 34.07 O HETATM 1341 O HOH 13 -2.092 29.019 10.850 1.00 32.51 O HETATM 1342 O HOH 14 2.751 46.425 -0.600 1.00 18.14 O HETATM 1343 O HOH 15 20.272 38.205 5.411 1.00 37.83 O HETATM 1344 O HOH 16 24.704 31.102 -3.207 1.00 30.08 O HETATM 1345 O HOH 17 2.720 30.189 1.931 1.00 32.68 O HETATM 1346 O HOH 18 18.203 44.558 -11.536 1.00 23.97 O HETATM 1347 O HOH 19 -0.388 46.434 0.403 1.00 22.71 O HETATM 1348 O HOH 20 2.073 28.016 8.269 1.00 27.68 O HETATM 1349 O HOH 21 33.119 42.292 -2.548 1.00 36.63 O HETATM 1350 O HOH 22 20.654 40.336 8.135 1.00 33.32 O HETATM 1351 O HOH 23 27.891 34.834 -1.373 1.00 25.55 O HETATM 1352 O HOH 24 36.151 32.225 -11.581 1.00 24.47 O HETATM 1353 O HOH 25 -14.797 41.923 1.646 1.00 39.12 O HETATM 1354 O HOH 26 27.231 42.873 -2.534 1.00 24.13 O HETATM 1355 O HOH 27 15.130 34.007 -9.826 1.00 30.21 O HETATM 1356 O HOH 28 -3.647 40.864 9.999 1.00 36.33 O HETATM 1357 O HOH 29 -0.278 36.577 -5.782 1.00 28.51 O HETATM 1358 O HOH 30 15.379 48.328 5.051 1.00 44.66 O HETATM 1359 O HOH 31 8.949 54.350 0.659 1.00 30.00 O HETATM 1360 O HOH 32 34.481 34.664 -7.687 1.00 20.66 O HETATM 1361 O HOH 33 15.542 38.577 -15.373 1.00 26.95 O HETATM 1362 O HOH 34 6.321 36.127 11.168 1.00 19.62 O HETATM 1363 O HOH 35 7.233 54.405 -1.578 1.00 28.49 O HETATM 1364 O HOH 36 23.901 45.296 2.232 1.00 27.99 O HETATM 1365 O HOH 37 -0.930 36.842 11.667 1.00 23.89 O HETATM 1366 O HOH 38 9.122 34.615 -10.779 1.00 30.59 O HETATM 1367 O HOH 39 35.199 32.366 -9.049 1.00 23.96 O HETATM 1368 O HOH 40 26.374 41.210 7.057 1.00 32.69 O HETATM 1369 O HOH 41 21.770 33.725 4.444 1.00 26.52 O HETATM 1370 O HOH 42 13.429 52.741 -0.774 1.00 32.27 O HETATM 1371 O HOH 43 17.376 32.947 -10.849 1.00 40.67 O HETATM 1372 O HOH 44 -3.702 27.550 -2.479 1.00 51.97 O HETATM 1373 O HOH 45 18.133 27.782 1.747 1.00 38.44 O HETATM 1374 O HOH 46 25.771 46.832 3.127 1.00 41.70 O HETATM 1375 O HOH 47 18.931 47.431 -10.680 1.00 37.27 O HETATM 1376 O HOH 48 21.711 42.649 -12.013 1.00 25.28 O HETATM 1377 O HOH 49 24.079 48.487 -6.843 1.00 35.14 O HETATM 1378 O HOH 50 31.175 40.750 -8.298 1.00 36.92 O HETATM 1379 O HOH 51 11.119 46.907 9.267 1.00 28.09 O HETATM 1380 O HOH 52 8.039 44.030 -10.929 1.00 31.23 O HETATM 1381 O HOH 53 11.980 41.361 -16.836 1.00 42.75 O HETATM 1382 O HOH 54 21.695 28.526 -4.526 1.00 49.25 O HETATM 1383 O HOH 55 9.777 52.057 4.470 1.00 38.32 O HETATM 1384 O HOH 56 12.928 38.593 -16.368 1.00 45.24 O HETATM 1385 O HOH 57 28.865 41.267 -6.285 1.00 35.47 O HETATM 1386 O HOH 58 25.458 49.649 -4.583 1.00 59.24 O HETATM 1387 O HOH 59 -5.479 39.254 8.912 1.00 30.97 O HETATM 1388 O HOH 60 9.624 29.746 0.957 1.00 31.45 O HETATM 1389 O HOH 61 0.928 32.145 12.911 1.00 36.17 O HETATM 1390 O HOH 62 18.348 34.610 -15.335 1.00 38.20 O HETATM 1391 O HOH 63 7.578 47.423 -10.627 1.00 33.65 O HETATM 1392 O HOH 64 0.137 46.022 -7.472 1.00 42.52 O HETATM 1393 O HOH 65 -4.011 48.310 4.281 1.00 31.97 O HETATM 1394 O HOH 66 29.866 43.807 -6.588 1.00 45.21 O HETATM 1395 O HOH 67 25.637 41.301 -20.258 1.00 45.41 O HETATM 1396 O HOH 68 -4.597 31.293 -4.296 1.00 42.05 O HETATM 1397 O HOH 69 0.281 53.059 -5.280 1.00 46.36 O HETATM 1398 O HOH 70 -12.306 39.666 -0.305 1.00 32.39 O HETATM 1399 O HOH 71 -6.523 26.662 7.157 1.00 43.99 O HETATM 1400 O HOH 72 18.073 48.998 0.204 1.00 38.78 O HETATM 1401 O HOH 73 9.027 39.583 9.099 1.00 29.53 O HETATM 1402 O HOH 74 25.921 31.438 -16.795 1.00 44.28 O HETATM 1403 O HOH 75 -2.739 25.924 6.783 1.00 57.87 O HETATM 1404 O HOH 76 21.696 48.529 3.662 1.00 35.17 O HETATM 1405 O HOH 77 12.774 48.924 -10.205 1.00 35.46 O HETATM 1406 O HOH 78 27.025 33.380 0.722 1.00 27.63 O HETATM 1407 O HOH 79 19.683 49.928 1.812 1.00 46.23 O HETATM 1408 O HOH 80 15.463 52.273 -6.430 1.00 52.89 O HETATM 1409 O HOH 81 13.564 27.968 6.192 1.00 34.66 O HETATM 1410 O HOH 82 -0.195 39.616 -9.298 1.00 54.61 O HETATM 1411 O HOH 83 -2.424 47.351 11.536 1.00 35.96 O HETATM 1412 O HOH 84 30.735 30.002 -14.743 1.00 36.95 O HETATM 1413 O HOH 85 17.335 32.964 -13.742 1.00 42.15 O HETATM 1414 O HOH 86 17.235 26.634 4.114 1.00 44.13 O HETATM 1415 O HOH 87 11.717 49.106 7.601 1.00 41.96 O HETATM 1416 O HOH 88 -9.090 39.969 6.336 1.00 34.71 O HETATM 1417 O HOH 89 11.786 25.481 12.341 1.00 55.21 O HETATM 1418 O HOH 90 20.462 33.787 -17.066 1.00 50.42 O HETATM 1419 O HOH 91 -0.172 26.984 8.622 1.00 55.82 O HETATM 1420 O HOH 92 29.889 39.412 -17.872 1.00 35.81 O HETATM 1421 O HOH 93 -9.134 43.015 11.442 1.00 53.37 O HETATM 1422 O HOH 94 -11.049 47.770 2.253 1.00 46.51 O HETATM 1423 O HOH 95 23.801 32.952 -15.858 1.00 41.41 O HETATM 1424 O HOH 96 15.802 48.310 1.135 1.00 40.45 O HETATM 1425 O HOH 97 26.924 38.738 5.532 1.00 50.80 O HETATM 1426 O HOH 98 14.244 43.368 9.923 1.00 37.83 O HETATM 1427 O HOH 99 11.603 47.537 -13.316 1.00 39.36 O HETATM 1428 O HOH 100 11.558 49.053 -16.019 1.00 44.27 O HETATM 1429 O HOH 101 -15.212 47.351 7.188 1.00 52.26 O HETATM 1430 O HOH 102 -2.853 42.793 -6.897 1.00 46.14 O HETATM 1431 O HOH 103 23.025 36.088 -20.256 1.00 38.27 O HETATM 1432 O HOH 104 -15.538 39.431 -5.273 1.00 59.88 O HETATM 1433 O HOH 105 11.236 49.821 5.097 1.00 46.00 O HETATM 1434 O HOH 106 -13.425 36.080 -5.140 1.00 54.88 O HETATM 1435 O HOH 107 23.439 41.051 8.653 1.00 55.00 O HETATM 1436 O HOH 108 10.613 32.560 -11.818 1.00 55.80 O HETATM 1437 O HOH 109 -8.277 48.144 12.590 1.00 53.56 O HETATM 1438 O HOH 110 12.799 47.355 4.908 1.00 40.00 O HETATM 1439 O HOH 111 26.000 28.882 -16.185 1.00 57.32 O HETATM 1440 O HOH 112 18.284 41.993 -23.305 1.00 50.46 O HETATM 1441 O HOH 113 -3.024 47.159 -0.216 1.00 32.50 O HETATM 1442 O HOH 114 29.499 44.181 -2.186 1.00 34.79 O HETATM 1443 O HOH 115 7.029 40.605 10.700 1.00 17.71 O HETATM 1444 O HOH 116 19.472 30.255 2.748 1.00 41.32 O HETATM 1445 O HOH 117 -14.086 37.822 -0.225 1.00 30.79 O HETATM 1446 O HOH 118 14.390 26.580 4.037 1.00 34.28 O HETATM 1447 O HOH 119 28.839 42.046 -17.795 1.00 54.04 O HETATM 1448 O HOH 120 11.201 27.460 0.263 1.00 37.02 O HETATM 1449 O HOH 121 14.511 32.850 -14.151 1.00 47.84 O HETATM 1450 O HOH 122 1.017 34.925 11.599 1.00 48.47 O HETATM 1451 O HOH 123 29.616 38.543 4.423 1.00 45.11 O HETATM 1452 O HOH 124 21.531 31.517 1.418 1.00 38.32 O HETATM 1453 O HOH 125 30.300 39.942 2.049 1.00 39.45 O HETATM 1454 O HOH 126 20.004 42.400 -9.911 1.00 28.00 O HETATM 1455 O HOH 127 20.951 46.484 -8.538 1.00 38.80 O HETATM 1456 O HOH 128 22.654 51.244 -17.751 1.00 44.08 O HETATM 1457 O HOH 129 38.775 26.086 -15.468 1.00 28.35 O HETATM 1458 O HOH 130 35.453 28.667 -19.781 1.00 53.49 O HETATM 1459 O HOH 131 38.333 33.825 -15.842 1.00 31.49 O HETATM 1460 O HOH 132 36.402 39.002 -12.776 1.00 36.05 O HETATM 1461 O HOH 133 13.890 32.545 10.553 1.00 33.77 O HETATM 1462 O HOH 134 15.540 28.786 7.848 1.00 46.88 O HETATM 1463 O HOH 135 19.085 36.744 7.257 1.00 40.06 O HETATM 1464 O HOH 136 18.403 34.289 7.559 1.00 39.69 O HETATM 1465 O HOH 137 19.033 30.749 4.970 1.00 41.98 O HETATM 1466 O HOH 138 4.979 30.453 10.789 1.00 39.92 O HETATM 1467 O HOH 139 5.847 29.052 8.485 1.00 53.02 O HETATM 1468 O HOH 140 4.811 32.414 12.086 1.00 42.17 O HETATM 1469 O HOH 141 -1.364 30.368 -0.159 1.00 41.27 O HETATM 1470 O HOH 142 13.096 33.500 -12.061 1.00 40.47 O HETATM 1471 O HOH 143 -11.897 43.257 -1.214 1.00 45.68 O HETATM 1472 O HOH 144 -6.342 45.213 -5.870 1.00 49.52 O HETATM 1473 O HOH 145 -3.570 50.920 6.072 1.00 48.09 O HETATM 1474 O HOH 146 0.961 54.467 -0.384 1.00 42.00 O HETATM 1475 O HOH 147 -1.006 54.046 -1.932 1.00 48.97 O HETATM 1476 O HOH 148 2.971 56.976 -0.908 1.00 37.76 O HETATM 1477 O HOH 149 5.227 55.714 -0.438 1.00 30.74 O HETATM 1478 O HOH 150 11.533 54.244 0.117 1.00 43.94 O HETATM 1479 O HOH 151 12.897 53.489 -4.952 1.00 44.62 O HETATM 1480 O HOH 152 6.036 51.149 -8.237 1.00 40.96 O HETATM 1481 O HOH 153 3.462 47.270 -9.495 1.00 51.73 O HETATM 1482 O HOH 154 3.386 49.884 -10.859 1.00 59.47 O HETATM 1483 O HOH 155 5.707 41.164 -8.501 1.00 35.03 O HETATM 1484 O HOH 156 0.368 42.135 -5.481 1.00 29.62 O HETATM 1485 O HOH 157 -4.003 35.669 -5.644 1.00 44.30 O HETATM 1486 O HOH 158 -7.210 42.944 12.797 1.00 50.16 O HETATM 1487 O HOH 159 3.249 34.699 11.479 1.00 40.02 O HETATM 1488 O HOH 160 3.512 31.767 14.218 1.00 48.00 O HETATM 1489 O HOH 161 17.889 48.800 5.446 1.00 58.62 O HETATM 1490 O HOH 162 15.242 52.022 1.281 1.00 49.02 O HETATM 1491 O HOH 163 14.038 52.231 4.096 1.00 50.55 O HETATM 1492 O HOH 164 13.094 45.911 10.322 1.00 38.25 O HETATM 1493 O HOH 165 17.316 35.865 9.484 1.00 43.96 O HETATM 1494 O HOH 166 19.789 39.755 10.420 1.00 46.72 O HETATM 1495 O HOH 167 13.587 27.705 1.561 1.00 29.97 O HETATM 1496 O HOH 168 11.753 26.962 -2.231 1.00 52.97 O HETATM 1497 O HOH 169 25.250 46.333 6.418 1.00 50.48 O HETATM 1498 O HOH 170 31.592 42.088 1.809 1.00 43.56 O HETATM 1499 O HOH 171 29.589 44.376 0.919 1.00 49.06 O HETATM 1500 O HOH 172 23.804 31.504 2.495 1.00 41.42 O HETATM 1501 O HOH 173 27.811 48.008 -4.054 1.00 53.38 O HETATM 1502 O HOH 174 23.186 50.711 0.004 1.00 47.09 O HETATM 1503 O HOH 175 16.562 48.614 -9.775 1.00 39.33 O HETATM 1504 O HOH 176 19.304 49.434 -12.060 1.00 47.84 O HETATM 1505 O HOH 177 15.718 49.453 -18.096 1.00 47.18 O HETATM 1506 O HOH 178 12.695 48.554 -19.833 1.00 34.89 O HETATM 1507 O HOH 179 15.774 41.763 -19.011 1.00 40.87 O HETATM 1508 O HOH 180 8.994 45.790 -12.996 1.00 50.56 O HETATM 1509 O HOH 181 6.513 41.945 -15.020 1.00 47.97 O HETATM 1510 O HOH 182 8.078 40.739 -10.616 1.00 47.19 O HETATM 1511 O HOH 183 8.839 39.078 -12.968 1.00 47.51 O HETATM 1512 O HOH 184 9.464 35.196 -15.991 1.00 61.12 O HETATM 1513 O HOH 185 8.280 34.202 -8.160 1.00 44.53 O HETATM 1514 O HOH 186 6.242 34.261 -6.675 1.00 34.76 O HETATM 1515 O HOH 187 7.448 32.421 -5.501 1.00 43.66 O HETATM 1516 O HOH 188 4.223 29.977 -6.540 1.00 54.28 O HETATM 1517 O HOH 189 24.305 30.630 -11.164 1.00 52.76 O HETATM 1518 O HOH 190 24.396 28.152 -8.107 1.00 64.09 O HETATM 1519 O HOH 191 26.556 30.260 -7.980 1.00 51.67 O HETATM 1520 O HOH 192 28.816 30.998 -8.240 1.00 43.92 O HETATM 1521 O HOH 193 29.367 41.461 -15.445 1.00 42.25 O HETATM 1522 O HOH 194 34.495 41.183 -13.652 1.00 49.96 O HETATM 1523 O HOH 195 38.230 38.747 -15.035 1.00 52.05 O HETATM 1524 O HOH 196 32.630 32.551 -19.694 1.00 48.26 O HETATM 1525 O HOH 197 29.908 33.830 -20.879 1.00 52.91 O HETATM 1526 O HOH 198 11.695 26.329 7.770 1.00 48.44 O HETATM 1527 O HOH 199 -2.847 26.969 2.387 1.00 56.06 O HETATM 1528 O HOH 200 -0.965 29.916 -4.280 1.00 49.45 O HETATM 1529 O HOH 201 31.669 41.201 -12.450 1.00 51.23 O HETATM 1530 O HOH 202 -13.442 41.349 5.869 1.00 52.33 O HETATM 1531 O HOH 203 -15.160 40.265 3.826 1.00 54.08 O HETATM 1532 O HOH 204 -14.813 39.284 6.111 1.00 44.21 O HETATM 1533 O HOH 205 -7.849 40.992 9.671 1.00 43.91 O HETATM 1534 O HOH 206 -3.158 51.910 -3.366 1.00 52.98 O HETATM 1535 O HOH 207 -5.620 47.203 -0.608 1.00 56.16 O HETATM 1536 O HOH 208 0.259 54.975 5.412 1.00 53.07 O HETATM 1537 O HOH 209 20.813 34.991 6.748 1.00 52.67 O HETATM 1538 O HOH 210 17.430 32.455 6.293 1.00 49.61 O HETATM 1539 O HOH 211 17.984 27.987 6.039 1.00 47.47 O HETATM 1540 O HOH 212 20.026 47.234 11.380 1.00 42.51 O HETATM 1541 O HOH 213 31.982 43.263 -4.767 1.00 54.77 O HETATM 1542 O HOH 214 15.721 50.825 -11.166 1.00 45.75 O HETATM 1543 O HOH 215 17.400 51.679 -12.775 1.00 53.49 O HETATM 1544 O HOH 216 20.985 52.468 -13.044 1.00 52.21 O HETATM 1545 O HOH 217 13.951 50.754 -16.568 1.00 49.42 O HETATM 1546 O HOH 218 9.449 52.125 -15.521 1.00 49.97 O HETATM 1547 O HOH 219 9.360 49.943 -16.219 1.00 39.29 O HETATM 1548 O HOH 220 28.987 48.045 -19.693 1.00 59.98 O HETATM 1549 O HOH 221 30.146 48.882 -22.168 1.00 63.09 O HETATM 1550 O HOH 222 32.201 43.101 -10.941 1.00 56.10 O HETATM 1551 O HOH 223 28.765 38.056 -21.286 1.00 51.58 O HETATM 1552 O HOH 224 11.041 41.489 -19.489 1.00 50.63 O HETATM 1553 O HOH 225 13.543 37.831 -19.145 1.00 58.99 O HETATM 1554 O HOH 226 14.170 34.870 -16.329 1.00 47.23 O HETATM 1555 O HOH 227 7.243 41.355 -12.669 1.00 63.05 O HETATM 1556 O HOH 228 5.544 43.453 -11.427 1.00 53.23 O HETATM 1557 O HOH 229 -5.580 29.280 -3.685 1.00 45.47 O HETATM 1558 O HOH 230 11.002 27.819 -5.456 1.00 58.21 O HETATM 1559 O HOH 231 7.291 29.211 1.685 1.00 53.24 O HETATM 1560 O HOH 232 29.978 30.886 -17.307 1.00 49.60 O HETATM 1561 O HOH 233 22.561 30.190 -1.345 1.00 45.99 O HETATM 1562 O HOH 234 8.284 25.511 8.089 1.00 59.36 O HETATM 1563 O HOH 235 7.200 24.744 5.208 1.00 60.60 O HETATM 1564 O HOH 236 2.550 29.035 10.993 1.00 59.40 O HETATM 1565 O HOH 237 5.157 29.671 3.429 1.00 53.02 O HETATM 1566 O HOH 238 -4.611 47.449 -5.117 1.00 48.67 O HETATM 1567 O HOH 239 30.031 44.044 -14.952 1.00 50.62 O HETATM 1568 O HOH 240 24.168 49.315 2.498 1.00 53.58 O HETATM 1569 O HOH 241 15.683 27.272 -6.677 1.00 61.39 O HETATM 1570 O HOH 242 8.796 27.850 -2.607 1.00 52.25 O HETATM 1571 O HOH 243 4.422 26.947 7.574 1.00 53.42 O HETATM 1572 OAC UNN A 244 28.334 44.472 -12.704 1.00 -0.39 O HETATM 1573 CAM UNN A 244 27.317 44.579 -12.007 1.00 0.29 C HETATM 1574 NAI UNN A 244 26.294 43.725 -12.328 1.00 -0.18 N HETATM 1575 CAL UNN A 244 25.067 43.731 -11.644 1.00 0.24 C HETATM 1576 OAB UNN A 244 24.275 42.890 -12.040 1.00 -0.37 O HETATM 1577 CAK UNN A 244 24.857 44.622 -10.604 1.00 0.05 C HETATM 1578 CAA UNN A 244 23.652 44.662 -9.846 1.00 -0.09 C HETATM 1579 H UNN A 244 23.541 45.384 -9.038 1.00 0.05 H HETATM 1580 H UNN A 244 22.842 43.971 -10.074 1.00 0.05 H HETATM 1581 CAG UNN A 244 25.916 45.506 -10.286 1.00 0.08 C HETATM 1582 NAR UNN A 244 27.146 45.473 -10.997 1.00 -0.21 N HETATM 1583 C1' UNN A 244 28.249 46.418 -10.673 1.00 0.18 C HETATM 1584 O4' UNN A 244 28.162 46.992 -9.301 1.00 -0.34 O HETATM 1585 C4' UNN A 244 27.887 48.434 -9.448 1.00 0.11 C HETATM 1586 C5' UNN A 244 26.943 48.961 -8.379 1.00 0.07 C HETATM 1587 O5' UNN A 244 25.695 48.338 -8.688 1.00 -0.39 O HETATM 1588 H UNN A 244 25.039 48.617 -8.060 1.00 0.21 H HETATM 1589 H UNN A 244 26.859 50.056 -8.436 1.00 0.06 H HETATM 1590 H UNN A 244 27.287 48.672 -7.375 1.00 0.06 H HETATM 1591 C3' UNN A 244 27.289 48.576 -10.881 1.00 0.11 C HETATM 1592 O3' UNN A 244 27.389 49.956 -11.395 1.00 -0.39 O HETATM 1593 H UNN A 244 28.302 50.214 -11.430 1.00 0.21 H HETATM 1594 C2' UNN A 244 28.185 47.621 -11.654 1.00 0.13 C HETATM 1595 O2' UNN A 244 29.509 48.223 -11.896 1.00 -0.38 O HETATM 1596 H UNN A 244 29.405 49.022 -12.400 1.00 0.21 H HETATM 1597 H UNN A 244 27.735 47.330 -12.615 1.00 0.07 H HETATM 1598 H UNN A 244 26.237 48.255 -10.910 1.00 0.06 H HETATM 1599 H UNN A 244 28.829 48.998 -9.382 1.00 0.06 H HETATM 1600 H UNN A 244 29.208 45.890 -10.783 1.00 0.09 H HETATM 1601 H UNN A 244 26.163 45.328 -9.229 1.00 0.07 H HETATM 1602 H UNN A 244 25.517 46.524 -10.403 1.00 0.07 H HETATM 1603 H UNN A 244 26.426 43.074 -13.076 1.00 0.22 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1572 1573 CONECT 1573 1572 1574 1582 CONECT 1574 1573 1575 1603 CONECT 1575 1574 1576 1577 CONECT 1576 1575 CONECT 1577 1575 1578 1581 CONECT 1578 1577 1579 1580 CONECT 1579 1578 CONECT 1580 1578 CONECT 1581 1577 1582 1601 1602 CONECT 1582 1573 1581 1583 CONECT 1583 1582 1584 1594 1600 CONECT 1584 1583 1585 CONECT 1585 1584 1586 1591 1599 CONECT 1586 1585 1587 1589 1590 CONECT 1587 1586 1588 CONECT 1588 1587 CONECT 1589 1586 CONECT 1590 1586 CONECT 1591 1585 1592 1594 1598 CONECT 1592 1591 1593 CONECT 1593 1592 CONECT 1594 1583 1591 1595 1597 CONECT 1595 1594 1596 CONECT 1596 1595 CONECT 1597 1594 CONECT 1598 1591 CONECT 1599 1585 CONECT 1600 1583 CONECT 1601 1581 CONECT 1602 1581 CONECT 1603 1574 MASTER 0 0 0 0 0 0 0 0 1602 1 36 10 END
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Related entries of code: 4qsw
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130aa, >4TT2_1|Chain... at 100%
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130aa, >4TTE_1|Chain... at 100%
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130aa, >4TU4_1|Chain... at 100%
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130aa, >4TYL_1|Chain... at 100%
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130aa, >4TZ2_1|Chain... at 100%
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PDBbind
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RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
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PDBbind
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130aa, >5A83_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4qsw
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
38T
EC.Number
E.C.3.6.1.3
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=21mM
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
6
Molecular Weight
258.228
Exact Mass
258.085
No. of atoms
32
No. of bonds
33
Polar Surface Area
119.33
LOGP Value
-2.01 (
Computed with XLOGP3
)
-2.20 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 2
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)N1CC(=C)C(=O)NC1=O
InChI String
InChI=1S/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h5-7,9,13-15H,1-3H2,(H,11,16,17)/t5-,6-,7-,9-/m1/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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