Browse entries in the PDBbind-CN Database
HEADER 4TU4_COMPLEX COMPND 4TU4_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 277 41 ATOM 1 N SER A 979 -52.453 23.194 -3.300 1.00 64.61 N ATOM 2 CA SER A 979 -52.840 22.831 -4.700 1.00 63.52 C ATOM 3 C SER A 979 -51.644 22.288 -5.484 1.00 65.73 C ATOM 4 O SER A 979 -50.515 22.278 -4.991 1.00 62.43 O ATOM 5 CB SER A 979 -53.418 24.056 -5.423 1.00 63.83 C ATOM 6 OG SER A 979 -52.458 25.100 -5.513 1.00 60.60 O ATOM 7 HG SER A 979 -52.858 25.875 -5.983 1.00 0.00 H ATOM 8 HN3 SER A 979 -51.713 23.925 -3.324 1.00 0.00 H ATOM 9 HN2 SER A 979 -52.092 22.350 -2.811 1.00 0.00 H ATOM 10 HN1 SER A 979 -53.286 23.559 -2.795 1.00 0.00 H ATOM 11 N MET A 980 -51.905 21.835 -6.707 1.00 67.46 N ATOM 12 CA MET A 980 -50.851 21.486 -7.661 1.00 65.22 C ATOM 13 C MET A 980 -49.984 22.719 -8.001 1.00 60.48 C ATOM 14 O MET A 980 -48.771 22.601 -8.161 1.00 60.37 O ATOM 15 CB MET A 980 -51.487 20.893 -8.929 1.00 64.94 C ATOM 16 CG MET A 980 -50.527 20.612 -10.068 1.00 66.67 C ATOM 17 SD MET A 980 -49.163 19.526 -9.611 1.00 70.31 S ATOM 18 CE MET A 980 -48.194 19.666 -11.110 1.00 70.30 C ATOM 19 H MET A 980 -52.898 21.724 -6.997 1.00 0.00 H ATOM 20 N GLN A 981 -50.602 23.896 -8.099 1.00 59.56 N ATOM 21 CA GLN A 981 -49.868 25.141 -8.385 1.00 60.11 C ATOM 22 C GLN A 981 -48.883 25.503 -7.271 1.00 52.13 C ATOM 23 O GLN A 981 -47.750 25.900 -7.539 1.00 45.69 O ATOM 24 CB GLN A 981 -50.823 26.323 -8.606 1.00 65.45 C ATOM 25 CG GLN A 981 -51.496 26.335 -9.977 1.00 73.73 C ATOM 26 CD GLN A 981 -52.690 25.385 -10.094 1.00 79.19 C ATOM 27 OE1 GLN A 981 -52.994 24.600 -9.184 1.00 79.02 O ATOM 28 NE2 GLN A 981 -53.375 25.457 -11.229 1.00 82.71 N ATOM 29 HE22 GLN A 981 -53.087 26.130 -11.968 1.00 0.00 H ATOM 30 HE21 GLN A 981 -54.199 24.841 -11.379 1.00 0.00 H ATOM 31 H GLN A 981 -51.633 23.937 -7.970 1.00 0.00 H ATOM 32 N GLU A 982 -49.328 25.384 -6.025 1.00 44.27 N ATOM 33 CA GLU A 982 -48.454 25.658 -4.885 1.00 40.46 C ATOM 34 C GLU A 982 -47.310 24.653 -4.818 1.00 39.62 C ATOM 35 O GLU A 982 -46.173 25.043 -4.531 1.00 33.53 O ATOM 36 CB GLU A 982 -49.239 25.699 -3.578 1.00 41.24 C ATOM 37 CG GLU A 982 -50.235 26.851 -3.550 1.00 42.75 C ATOM 38 CD GLU A 982 -51.082 26.889 -2.296 1.00 46.33 C ATOM 39 OE1 GLU A 982 -51.236 25.845 -1.627 1.00 46.55 O ATOM 40 OE2 GLU A 982 -51.584 27.980 -1.967 1.00 42.86 O ATOM 41 H GLU A 982 -50.312 25.092 -5.858 1.00 0.00 H ATOM 42 N GLU A 983 -47.586 23.378 -5.087 1.00 34.99 N ATOM 43 CA GLU A 983 -46.520 22.373 -5.137 1.00 38.81 C ATOM 44 C GLU A 983 -45.509 22.708 -6.254 1.00 33.17 C ATOM 45 O GLU A 983 -44.297 22.504 -6.071 1.00 31.68 O ATOM 46 CB GLU A 983 -47.079 20.960 -5.350 1.00 45.52 C ATOM 47 CG GLU A 983 -47.885 20.413 -4.171 1.00 56.08 C ATOM 48 CD GLU A 983 -48.857 19.285 -4.560 1.00 66.52 C ATOM 49 OE1 GLU A 983 -49.595 18.806 -3.660 1.00 73.89 O ATOM 50 OE2 GLU A 983 -48.902 18.874 -5.751 1.00 66.72 O ATOM 51 H GLU A 983 -48.570 23.092 -5.264 1.00 0.00 H ATOM 52 N ASP A 984 -46.001 23.199 -7.398 1.00 30.56 N ATOM 53 CA ASP A 984 -45.141 23.669 -8.483 1.00 32.50 C ATOM 54 C ASP A 984 -44.202 24.815 -8.038 1.00 30.14 C ATOM 55 O ASP A 984 -43.043 24.856 -8.467 1.00 29.12 O ATOM 56 CB ASP A 984 -45.946 24.176 -9.689 1.00 36.71 C ATOM 57 CG ASP A 984 -46.619 23.051 -10.489 1.00 42.64 C ATOM 58 OD1 ASP A 984 -46.221 21.867 -10.397 1.00 42.53 O ATOM 59 OD2 ASP A 984 -47.539 23.394 -11.259 1.00 52.47 O ATOM 60 H ASP A 984 -47.033 23.248 -7.519 1.00 0.00 H ATOM 61 N THR A 985 -44.734 25.736 -7.242 1.00 27.78 N ATOM 62 CA THR A 985 -43.972 26.868 -6.692 1.00 27.05 C ATOM 63 C THR A 985 -42.845 26.362 -5.800 1.00 25.01 C ATOM 64 O THR A 985 -41.686 26.757 -5.964 1.00 23.14 O ATOM 65 CB THR A 985 -44.888 27.835 -5.929 1.00 28.03 C ATOM 66 OG1 THR A 985 -45.852 28.372 -6.842 1.00 29.15 O ATOM 67 CG2 THR A 985 -44.124 28.988 -5.355 1.00 27.51 C ATOM 68 HG1 THR A 985 -46.388 27.634 -7.227 1.00 0.00 H ATOM 69 H THR A 985 -45.741 25.653 -6.995 1.00 0.00 H ATOM 70 N PHE A 986 -43.171 25.476 -4.866 1.00 23.77 N ATOM 71 CA PHE A 986 -42.129 24.943 -3.988 1.00 24.81 C ATOM 72 C PHE A 986 -41.121 24.132 -4.754 1.00 23.55 C ATOM 73 O PHE A 986 -39.943 24.135 -4.386 1.00 24.94 O ATOM 74 CB PHE A 986 -42.702 24.143 -2.806 1.00 26.17 C ATOM 75 CG PHE A 986 -43.442 24.992 -1.806 1.00 28.33 C ATOM 76 CD1 PHE A 986 -42.941 26.207 -1.388 1.00 29.23 C ATOM 77 CD2 PHE A 986 -44.668 24.576 -1.301 1.00 30.31 C ATOM 78 CE1 PHE A 986 -43.624 26.996 -0.468 1.00 30.48 C ATOM 79 CE2 PHE A 986 -45.350 25.351 -0.380 1.00 29.12 C ATOM 80 CZ PHE A 986 -44.841 26.562 0.034 1.00 31.18 C ATOM 81 H PHE A 986 -44.157 25.164 -4.760 1.00 0.00 H ATOM 82 N ARG A 987 -41.522 23.414 -5.798 1.00 24.06 N ATOM 83 CA ARG A 987 -40.564 22.644 -6.571 1.00 25.25 C ATOM 84 C ARG A 987 -39.578 23.596 -7.291 1.00 22.53 C ATOM 85 O ARG A 987 -38.366 23.353 -7.314 1.00 21.27 O ATOM 86 CB ARG A 987 -41.269 21.752 -7.578 1.00 27.38 C ATOM 87 CG ARG A 987 -40.309 20.927 -8.378 1.00 30.57 C ATOM 88 CD ARG A 987 -40.950 19.700 -8.997 1.00 33.73 C ATOM 89 NE ARG A 987 -39.902 18.934 -9.652 1.00 36.26 N ATOM 90 CZ ARG A 987 -39.549 19.022 -10.940 1.00 37.08 C ATOM 91 NH1 ARG A 987 -40.161 19.865 -11.804 1.00 38.77 N ATOM 92 NH2 ARG A 987 -38.555 18.246 -11.374 1.00 39.08 N ATOM 93 HE ARG A 987 -39.378 18.254 -9.065 1.00 0.00 H ATOM 94 HH12 ARG A 987 -39.856 19.903 -12.798 1.00 0.00 H ATOM 95 HH11 ARG A 987 -40.936 20.475 -11.474 1.00 0.00 H ATOM 96 HH22 ARG A 987 -38.257 18.291 -12.369 1.00 0.00 H ATOM 97 HH21 ARG A 987 -38.078 17.596 -10.717 1.00 0.00 H ATOM 98 H ARG A 987 -42.528 23.404 -6.063 1.00 0.00 H ATOM 99 N GLU A 988 -40.115 24.678 -7.844 1.00 21.86 N ATOM 100 CA GLU A 988 -39.281 25.696 -8.444 1.00 21.76 C ATOM 101 C GLU A 988 -38.284 26.281 -7.421 1.00 20.62 C ATOM 102 O GLU A 988 -37.097 26.489 -7.760 1.00 21.22 O ATOM 103 CB GLU A 988 -40.118 26.784 -9.091 1.00 23.40 C ATOM 104 CG GLU A 988 -39.275 27.876 -9.689 1.00 25.43 C ATOM 105 CD GLU A 988 -39.972 28.770 -10.698 1.00 31.05 C ATOM 106 OE1 GLU A 988 -41.200 28.659 -10.901 1.00 31.45 O ATOM 107 OE2 GLU A 988 -39.257 29.632 -11.264 1.00 29.72 O ATOM 108 H GLU A 988 -41.148 24.795 -7.845 1.00 0.00 H ATOM 109 N LEU A 989 -38.736 26.549 -6.206 1.00 20.00 N ATOM 110 CA LEU A 989 -37.848 27.041 -5.158 1.00 21.86 C ATOM 111 C LEU A 989 -36.739 26.007 -4.903 1.00 21.48 C ATOM 112 O LEU A 989 -35.558 26.365 -4.827 1.00 19.99 O ATOM 113 CB LEU A 989 -38.615 27.357 -3.870 1.00 22.93 C ATOM 114 CG LEU A 989 -37.763 27.694 -2.652 1.00 23.53 C ATOM 115 CD1 LEU A 989 -36.988 28.980 -2.872 1.00 24.45 C ATOM 116 CD2 LEU A 989 -38.544 27.765 -1.357 1.00 27.39 C ATOM 117 H LEU A 989 -39.744 26.406 -5.994 1.00 0.00 H ATOM 118 N ARG A 990 -37.090 24.721 -4.763 1.00 20.95 N ATOM 119 CA ARG A 990 -36.044 23.685 -4.574 1.00 21.36 C ATOM 120 C ARG A 990 -34.997 23.666 -5.681 1.00 19.74 C ATOM 121 O ARG A 990 -33.779 23.552 -5.402 1.00 20.26 O ATOM 122 CB ARG A 990 -36.661 22.273 -4.401 1.00 22.09 C ATOM 123 CG ARG A 990 -37.528 22.185 -3.160 1.00 22.92 C ATOM 124 CD ARG A 990 -37.857 20.750 -2.793 1.00 24.87 C ATOM 125 NE ARG A 990 -38.631 20.078 -3.825 1.00 25.86 N ATOM 126 CZ ARG A 990 -39.967 20.104 -3.917 1.00 26.78 C ATOM 127 NH1 ARG A 990 -40.694 20.787 -3.069 1.00 27.11 N ATOM 128 NH2 ARG A 990 -40.567 19.437 -4.892 1.00 29.76 N ATOM 129 HE ARG A 990 -38.109 19.538 -4.544 1.00 0.00 H ATOM 130 HH12 ARG A 990 -41.730 20.793 -3.159 1.00 0.00 H ATOM 131 HH11 ARG A 990 -40.235 21.323 -2.305 1.00 0.00 H ATOM 132 HH22 ARG A 990 -41.604 19.452 -4.971 1.00 0.00 H ATOM 133 HH21 ARG A 990 -40.001 18.899 -5.579 1.00 0.00 H ATOM 134 H ARG A 990 -38.094 24.450 -4.787 1.00 0.00 H ATOM 135 N ILE A 991 -35.431 23.735 -6.936 1.00 19.38 N ATOM 136 CA ILE A 991 -34.557 23.732 -8.104 1.00 20.27 C ATOM 137 C ILE A 991 -33.571 24.940 -8.012 1.00 20.56 C ATOM 138 O ILE A 991 -32.336 24.772 -8.203 1.00 20.10 O ATOM 139 CB ILE A 991 -35.367 23.707 -9.434 1.00 20.72 C ATOM 140 CG1 ILE A 991 -36.040 22.329 -9.566 1.00 22.73 C ATOM 141 CG2 ILE A 991 -34.474 23.978 -10.634 1.00 21.44 C ATOM 142 CD1 ILE A 991 -37.141 22.296 -10.585 1.00 23.60 C ATOM 143 H ILE A 991 -36.457 23.795 -7.095 1.00 0.00 H ATOM 144 N PHE A 992 -34.114 26.098 -7.746 1.00 19.39 N ATOM 145 CA PHE A 992 -33.325 27.338 -7.579 1.00 21.55 C ATOM 146 C PHE A 992 -32.320 27.159 -6.445 1.00 21.40 C ATOM 147 O PHE A 992 -31.121 27.459 -6.616 1.00 21.37 O ATOM 148 CB PHE A 992 -34.224 28.521 -7.300 1.00 22.12 C ATOM 149 CG PHE A 992 -33.479 29.783 -6.992 1.00 23.79 C ATOM 150 CD1 PHE A 992 -32.826 30.481 -7.991 1.00 26.43 C ATOM 151 CD2 PHE A 992 -33.415 30.243 -5.717 1.00 25.52 C ATOM 152 CE1 PHE A 992 -32.109 31.633 -7.701 1.00 27.57 C ATOM 153 CE2 PHE A 992 -32.727 31.408 -5.428 1.00 26.03 C ATOM 154 CZ PHE A 992 -32.089 32.099 -6.430 1.00 24.98 C ATOM 155 H PHE A 992 -35.148 26.150 -7.647 1.00 0.00 H ATOM 156 N LEU A 993 -32.762 26.631 -5.306 1.00 20.46 N ATOM 157 CA LEU A 993 -31.863 26.481 -4.152 1.00 20.47 C ATOM 158 C LEU A 993 -30.788 25.449 -4.391 1.00 20.53 C ATOM 159 O LEU A 993 -29.640 25.628 -3.955 1.00 20.32 O ATOM 160 CB LEU A 993 -32.613 26.172 -2.856 1.00 21.46 C ATOM 161 CG LEU A 993 -33.592 27.229 -2.312 1.00 22.48 C ATOM 162 CD1 LEU A 993 -34.298 26.771 -1.050 1.00 24.52 C ATOM 163 CD2 LEU A 993 -32.886 28.542 -2.066 1.00 22.78 C ATOM 164 H LEU A 993 -33.752 26.322 -5.231 1.00 0.00 H ATOM 165 N ARG A 994 -31.126 24.355 -5.084 1.00 20.08 N ATOM 166 CA ARG A 994 -30.091 23.376 -5.435 1.00 22.52 C ATOM 167 C ARG A 994 -29.014 23.975 -6.318 1.00 22.15 C ATOM 168 O ARG A 994 -27.823 23.699 -6.134 1.00 22.46 O ATOM 169 CB ARG A 994 -30.651 22.185 -6.188 1.00 24.42 C ATOM 170 CG ARG A 994 -31.244 21.170 -5.305 1.00 27.23 C ATOM 171 CD ARG A 994 -31.523 19.857 -6.053 1.00 27.79 C ATOM 172 NE ARG A 994 -32.639 19.250 -5.366 1.00 28.15 N ATOM 173 CZ ARG A 994 -33.927 19.378 -5.675 1.00 28.00 C ATOM 174 NH1 ARG A 994 -34.321 20.012 -6.766 1.00 26.48 N ATOM 175 NH2 ARG A 994 -34.833 18.829 -4.875 1.00 29.26 N ATOM 176 HE ARG A 994 -32.413 18.652 -4.546 1.00 0.00 H ATOM 177 HH12 ARG A 994 -35.335 20.096 -6.981 1.00 0.00 H ATOM 178 HH11 ARG A 994 -33.617 20.427 -7.409 1.00 0.00 H ATOM 179 HH22 ARG A 994 -35.845 18.917 -5.098 1.00 0.00 H ATOM 180 HH21 ARG A 994 -34.531 18.311 -4.025 1.00 0.00 H ATOM 181 H ARG A 994 -32.114 24.200 -5.371 1.00 0.00 H ATOM 182 N ASN A 995 -29.422 24.777 -7.292 1.00 21.77 N ATOM 183 CA ASN A 995 -28.473 25.450 -8.205 1.00 24.08 C ATOM 184 C ASN A 995 -27.568 26.394 -7.468 1.00 22.74 C ATOM 185 O ASN A 995 -26.350 26.364 -7.719 1.00 23.57 O ATOM 186 CB ASN A 995 -29.187 26.200 -9.352 1.00 25.60 C ATOM 187 CG ASN A 995 -28.213 27.053 -10.228 1.00 29.66 C ATOM 188 OD1 ASN A 995 -28.096 28.274 -10.057 1.00 26.95 O ATOM 189 ND2 ASN A 995 -27.519 26.391 -11.179 1.00 34.85 N ATOM 190 HD22 ASN A 995 -27.643 25.365 -11.294 1.00 0.00 H ATOM 191 HD21 ASN A 995 -26.861 26.907 -11.797 1.00 0.00 H ATOM 192 H ASN A 995 -30.442 24.938 -7.418 1.00 0.00 H ATOM 193 N VAL A 996 -28.118 27.243 -6.588 1.00 20.80 N ATOM 194 CA VAL A 996 -27.296 28.166 -5.773 1.00 21.57 C ATOM 195 C VAL A 996 -26.286 27.363 -4.924 1.00 21.70 C ATOM 196 O VAL A 996 -25.085 27.639 -4.896 1.00 21.04 O ATOM 197 CB VAL A 996 -28.135 29.053 -4.856 1.00 22.76 C ATOM 198 CG1 VAL A 996 -27.283 29.923 -3.953 1.00 23.70 C ATOM 199 CG2 VAL A 996 -29.058 29.891 -5.696 1.00 23.52 C ATOM 200 H VAL A 996 -29.152 27.253 -6.475 1.00 0.00 H ATOM 201 N THR A 997 -26.773 26.326 -4.261 1.00 19.22 N ATOM 202 CA THR A 997 -25.940 25.560 -3.343 1.00 19.87 C ATOM 203 C THR A 997 -24.801 24.839 -4.097 1.00 20.37 C ATOM 204 O THR A 997 -23.656 24.813 -3.608 1.00 20.32 O ATOM 205 CB THR A 997 -26.789 24.536 -2.566 1.00 20.23 C ATOM 206 OG1 THR A 997 -27.892 25.197 -1.952 1.00 19.75 O ATOM 207 CG2 THR A 997 -25.979 23.864 -1.488 1.00 22.36 C ATOM 208 HG1 THR A 997 -28.449 25.625 -2.650 1.00 0.00 H ATOM 209 H THR A 997 -27.767 26.053 -4.398 1.00 0.00 H ATOM 210 N HIS A 998 -25.115 24.273 -5.258 1.00 21.21 N ATOM 211 CA HIS A 998 -24.119 23.584 -6.068 1.00 22.99 C ATOM 212 C HIS A 998 -22.999 24.536 -6.471 1.00 21.95 C ATOM 213 O HIS A 998 -21.823 24.172 -6.452 1.00 21.43 O ATOM 214 CB HIS A 998 -24.767 22.975 -7.313 1.00 25.30 C ATOM 215 CG HIS A 998 -23.786 22.390 -8.280 1.00 29.38 C ATOM 216 ND1 HIS A 998 -23.480 22.988 -9.484 1.00 34.40 N ATOM 217 CD2 HIS A 998 -23.042 21.260 -8.221 1.00 28.96 C ATOM 218 CE1 HIS A 998 -22.590 22.252 -10.125 1.00 32.70 C ATOM 219 NE2 HIS A 998 -22.307 21.198 -9.380 1.00 34.72 N ATOM 220 H HIS A 998 -26.097 24.323 -5.597 1.00 0.00 H ATOM 221 N ARG A 999 -23.373 25.759 -6.835 1.00 21.24 N ATOM 222 CA ARG A 999 -22.401 26.772 -7.224 1.00 21.73 C ATOM 223 C ARG A 999 -21.453 27.082 -6.071 1.00 22.36 C ATOM 224 O ARG A 999 -20.243 27.201 -6.263 1.00 23.58 O ATOM 225 CB ARG A 999 -23.110 28.049 -7.680 1.00 22.00 C ATOM 226 CG ARG A 999 -23.521 28.042 -9.143 1.00 23.54 C ATOM 227 CD ARG A 999 -24.799 28.835 -9.362 1.00 26.31 C ATOM 228 NE ARG A 999 -24.534 30.258 -9.552 1.00 25.72 N ATOM 229 CZ ARG A 999 -25.478 31.177 -9.728 1.00 24.34 C ATOM 230 NH1 ARG A 999 -26.756 30.824 -9.737 1.00 24.94 N ATOM 231 NH2 ARG A 999 -25.144 32.450 -9.894 1.00 24.65 N ATOM 232 HE ARG A 999 -23.543 30.573 -9.549 1.00 0.00 H ATOM 233 HH12 ARG A 999 -27.493 31.544 -9.875 1.00 0.00 H ATOM 234 HH11 ARG A 999 -27.021 29.827 -9.606 1.00 0.00 H ATOM 235 HH22 ARG A 999 -25.884 33.168 -10.032 1.00 0.00 H ATOM 236 HH21 ARG A 999 -24.142 32.730 -9.887 1.00 0.00 H ATOM 237 H ARG A 999 -24.385 25.998 -6.842 1.00 0.00 H ATOM 238 N LEU A1000 -22.012 27.209 -4.872 1.00 20.44 N ATOM 239 CA LEU A1000 -21.217 27.484 -3.682 1.00 21.90 C ATOM 240 C LEU A1000 -20.326 26.295 -3.343 1.00 23.80 C ATOM 241 O LEU A1000 -19.194 26.464 -2.891 1.00 23.81 O ATOM 242 CB LEU A1000 -22.124 27.818 -2.496 1.00 22.07 C ATOM 243 CG LEU A1000 -23.013 29.054 -2.650 1.00 22.30 C ATOM 244 CD1 LEU A1000 -24.067 29.098 -1.554 1.00 23.68 C ATOM 245 CD2 LEU A1000 -22.175 30.323 -2.644 1.00 23.30 C ATOM 246 H LEU A1000 -23.043 27.110 -4.781 1.00 0.00 H ATOM 247 N ALA A1001 -20.846 25.092 -3.565 1.00 21.87 N ATOM 248 CA ALA A1001 -20.083 23.855 -3.298 1.00 23.64 C ATOM 249 C ALA A1001 -18.917 23.615 -4.228 1.00 24.71 C ATOM 250 O ALA A1001 -17.958 22.934 -3.814 1.00 26.88 O ATOM 251 CB ALA A1001 -20.969 22.623 -3.292 1.00 24.23 C ATOM 252 H ALA A1001 -21.815 25.019 -3.936 1.00 0.00 H ATOM 253 N ILE A1002 -18.988 24.095 -5.453 1.00 24.87 N ATOM 254 CA ILE A1002 -17.871 23.900 -6.406 1.00 28.02 C ATOM 255 C ILE A1002 -16.811 24.997 -6.287 1.00 29.53 C ATOM 256 O ILE A1002 -15.783 24.925 -6.972 1.00 31.50 O ATOM 257 CB ILE A1002 -18.326 23.747 -7.875 1.00 28.48 C ATOM 258 CG1 ILE A1002 -18.917 25.055 -8.406 1.00 28.18 C ATOM 259 CG2 ILE A1002 -19.283 22.570 -8.021 1.00 30.08 C ATOM 260 CD1 ILE A1002 -19.378 25.032 -9.859 1.00 32.73 C ATOM 261 H ILE A1002 -19.837 24.616 -5.754 1.00 0.00 H ATOM 262 N ASP A1003 -17.047 26.013 -5.452 1.00 26.79 N ATOM 263 CA ASP A1003 -16.100 27.087 -5.243 1.00 26.93 C ATOM 264 C ASP A1003 -14.994 26.594 -4.317 1.00 26.70 C ATOM 265 O ASP A1003 -15.246 26.179 -3.191 1.00 25.61 O ATOM 266 CB ASP A1003 -16.794 28.313 -4.652 1.00 27.66 C ATOM 267 CG ASP A1003 -15.915 29.557 -4.671 1.00 30.17 C ATOM 268 OD1 ASP A1003 -14.752 29.465 -4.236 1.00 32.26 O ATOM 269 OD2 ASP A1003 -16.413 30.632 -5.074 1.00 31.35 O ATOM 270 H ASP A1003 -17.947 26.033 -4.932 1.00 0.00 H ATOM 271 N LYS A1004 -13.742 26.665 -4.778 1.00 30.21 N ATOM 272 CA LYS A1004 -12.627 26.108 -3.983 1.00 31.70 C ATOM 273 C LYS A1004 -12.453 26.727 -2.604 1.00 29.74 C ATOM 274 O LYS A1004 -12.023 26.028 -1.689 1.00 30.76 O ATOM 275 CB LYS A1004 -11.304 26.171 -4.790 1.00 36.39 C ATOM 276 CG LYS A1004 -11.415 25.357 -6.084 1.00 43.74 C ATOM 277 CD LYS A1004 -10.153 24.590 -6.444 1.00 54.71 C ATOM 278 CE LYS A1004 -8.978 25.544 -6.622 1.00 63.07 C ATOM 279 NZ LYS A1004 -7.855 24.929 -7.394 1.00 71.87 N ATOM 280 HZ1 LYS A1004 -7.511 24.086 -6.891 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -8.194 24.657 -8.339 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -7.082 25.618 -7.487 1.00 0.00 H ATOM 283 H LYS A1004 -13.552 27.113 -5.697 1.00 0.00 H ATOM 284 N ARG A1005 -12.824 27.997 -2.439 1.00 29.50 N ATOM 285 CA ARG A1005 -12.749 28.678 -1.129 1.00 29.65 C ATOM 286 C ARG A1005 -13.632 28.036 -0.080 1.00 29.42 C ATOM 287 O ARG A1005 -13.379 28.183 1.114 1.00 27.07 O ATOM 288 CB ARG A1005 -13.187 30.130 -1.211 1.00 30.72 C ATOM 289 CG ARG A1005 -12.332 31.033 -2.072 1.00 32.77 C ATOM 290 CD ARG A1005 -12.986 32.400 -2.209 1.00 33.94 C ATOM 291 NE ARG A1005 -14.209 32.342 -3.007 1.00 32.90 N ATOM 292 CZ ARG A1005 -15.058 33.352 -3.161 1.00 33.81 C ATOM 293 NH1 ARG A1005 -14.814 34.525 -2.592 1.00 33.76 N ATOM 294 NH2 ARG A1005 -16.153 33.196 -3.904 1.00 33.74 N ATOM 295 HE ARG A1005 -14.430 31.447 -3.488 1.00 0.00 H ATOM 296 HH12 ARG A1005 -15.482 35.312 -2.716 1.00 0.00 H ATOM 297 HH11 ARG A1005 -13.954 34.658 -2.022 1.00 0.00 H ATOM 298 HH22 ARG A1005 -16.817 33.987 -4.024 1.00 0.00 H ATOM 299 HH21 ARG A1005 -16.344 32.283 -4.364 1.00 0.00 H ATOM 300 H ARG A1005 -13.179 28.527 -3.261 1.00 0.00 H ATOM 301 N PHE A1006 -14.691 27.356 -0.531 1.00 25.94 N ATOM 302 CA PHE A1006 -15.726 26.849 0.362 1.00 26.09 C ATOM 303 C PHE A1006 -15.653 25.351 0.588 1.00 28.25 C ATOM 304 O PHE A1006 -16.537 24.766 1.223 1.00 25.76 O ATOM 305 CB PHE A1006 -17.111 27.292 -0.156 1.00 22.58 C ATOM 306 CG PHE A1006 -17.216 28.753 -0.432 1.00 23.71 C ATOM 307 CD1 PHE A1006 -16.534 29.707 0.345 1.00 24.21 C ATOM 308 CD2 PHE A1006 -18.014 29.220 -1.475 1.00 22.93 C ATOM 309 CE1 PHE A1006 -16.634 31.051 0.047 1.00 23.94 C ATOM 310 CE2 PHE A1006 -18.119 30.549 -1.752 1.00 23.62 C ATOM 311 CZ PHE A1006 -17.436 31.481 -0.987 1.00 23.42 C ATOM 312 H PHE A1006 -14.779 27.183 -1.553 1.00 0.00 H ATOM 313 N ARG A1007 -14.548 24.734 0.168 1.00 29.97 N ATOM 314 CA ARG A1007 -14.379 23.283 0.342 1.00 30.83 C ATOM 315 C ARG A1007 -14.608 22.799 1.783 1.00 27.99 C ATOM 316 O ARG A1007 -15.232 21.764 1.990 1.00 28.40 O ATOM 317 CB ARG A1007 -12.994 22.834 -0.135 1.00 35.76 C ATOM 318 CG ARG A1007 -12.879 21.326 -0.325 1.00 43.22 C ATOM 319 CD ARG A1007 -11.420 20.902 -0.516 1.00 51.55 C ATOM 320 NE ARG A1007 -10.565 21.430 0.563 1.00 57.58 N ATOM 321 CZ ARG A1007 -10.332 20.837 1.735 1.00 57.51 C ATOM 322 NH1 ARG A1007 -10.856 19.653 2.033 1.00 60.04 N ATOM 323 NH2 ARG A1007 -9.553 21.439 2.621 1.00 57.84 N ATOM 324 HE ARG A1007 -10.102 22.346 0.395 1.00 0.00 H ATOM 325 HH12 ARG A1007 -10.658 19.214 2.955 1.00 0.00 H ATOM 326 HH11 ARG A1007 -11.465 19.166 1.345 1.00 0.00 H ATOM 327 HH22 ARG A1007 -9.363 20.987 3.538 1.00 0.00 H ATOM 328 HH21 ARG A1007 -9.131 22.363 2.399 1.00 0.00 H ATOM 329 H ARG A1007 -13.795 25.287 -0.289 1.00 0.00 H ATOM 330 N VAL A1008 -14.147 23.558 2.776 1.00 28.17 N ATOM 331 CA VAL A1008 -14.249 23.132 4.150 1.00 29.79 C ATOM 332 C VAL A1008 -15.699 23.102 4.647 1.00 28.81 C ATOM 333 O VAL A1008 -15.975 22.524 5.683 1.00 27.77 O ATOM 334 CB VAL A1008 -13.367 23.944 5.131 1.00 31.51 C ATOM 335 CG1 VAL A1008 -11.906 23.740 4.760 1.00 36.77 C ATOM 336 CG2 VAL A1008 -13.749 25.408 5.203 1.00 30.83 C ATOM 337 H VAL A1008 -13.706 24.474 2.557 1.00 0.00 H ATOM 338 N PHE A1009 -16.592 23.736 3.889 1.00 26.20 N ATOM 339 CA PHE A1009 -18.009 23.797 4.270 1.00 26.24 C ATOM 340 C PHE A1009 -18.852 22.791 3.505 1.00 26.20 C ATOM 341 O PHE A1009 -20.082 22.807 3.634 1.00 28.76 O ATOM 342 CB PHE A1009 -18.553 25.209 4.060 1.00 25.28 C ATOM 343 CG PHE A1009 -17.747 26.276 4.757 1.00 26.35 C ATOM 344 CD1 PHE A1009 -17.541 26.233 6.123 1.00 26.82 C ATOM 345 CD2 PHE A1009 -17.161 27.299 4.028 1.00 28.99 C ATOM 346 CE1 PHE A1009 -16.789 27.199 6.767 1.00 28.24 C ATOM 347 CE2 PHE A1009 -16.413 28.280 4.665 1.00 30.29 C ATOM 348 CZ PHE A1009 -16.226 28.222 6.042 1.00 30.29 C ATOM 349 H PHE A1009 -16.280 24.197 3.010 1.00 0.00 H ATOM 350 N THR A1010 -18.238 21.930 2.703 1.00 29.02 N ATOM 351 CA THR A1010 -18.998 21.081 1.771 1.00 27.58 C ATOM 352 C THR A1010 -19.521 19.793 2.420 1.00 32.50 C ATOM 353 O THR A1010 -20.406 19.149 1.865 1.00 34.55 O ATOM 354 CB THR A1010 -18.214 20.672 0.523 1.00 30.29 C ATOM 355 OG1 THR A1010 -16.956 20.101 0.895 1.00 32.46 O ATOM 356 CG2 THR A1010 -17.975 21.844 -0.392 1.00 29.58 C ATOM 357 HG1 THR A1010 -16.430 20.767 1.405 1.00 0.00 H ATOM 358 H THR A1010 -17.201 21.854 2.734 1.00 0.00 H ATOM 359 N LYS A1011 -18.965 19.422 3.570 1.00 33.35 N ATOM 360 CA LYS A1011 -19.317 18.170 4.257 1.00 34.27 C ATOM 361 C LYS A1011 -19.366 18.457 5.746 1.00 32.37 C ATOM 362 O LYS A1011 -18.765 19.425 6.209 1.00 31.00 O ATOM 363 CB LYS A1011 -18.255 17.087 3.989 1.00 40.12 C ATOM 364 CG LYS A1011 -18.140 16.626 2.539 1.00 43.42 C ATOM 365 CD LYS A1011 -19.335 15.778 2.118 1.00 48.49 C ATOM 366 CE LYS A1011 -19.417 15.626 0.605 1.00 52.33 C ATOM 367 NZ LYS A1011 -20.653 14.896 0.203 1.00 58.27 N ATOM 368 HZ1 LYS A1011 -20.650 13.949 0.633 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -21.488 15.424 0.530 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -20.681 14.808 -0.833 1.00 0.00 H ATOM 371 H LYS A1011 -18.251 20.043 4.002 1.00 0.00 H ATOM 372 N PRO A1012 -20.080 17.623 6.517 1.00 32.97 N ATOM 373 CA PRO A1012 -20.048 17.849 7.952 1.00 34.76 C ATOM 374 C PRO A1012 -18.621 17.701 8.531 1.00 36.63 C ATOM 375 O PRO A1012 -17.807 16.955 8.001 1.00 35.18 O ATOM 376 CB PRO A1012 -20.998 16.777 8.519 1.00 35.37 C ATOM 377 CG PRO A1012 -21.771 16.252 7.365 1.00 35.29 C ATOM 378 CD PRO A1012 -20.916 16.469 6.141 1.00 36.57 C ATOM 379 N VAL A1013 -18.334 18.472 9.568 1.00 40.00 N ATOM 380 CA VAL A1013 -17.051 18.412 10.262 1.00 45.77 C ATOM 381 C VAL A1013 -16.858 16.986 10.792 1.00 48.46 C ATOM 382 O VAL A1013 -17.745 16.449 11.454 1.00 50.00 O ATOM 383 CB VAL A1013 -16.981 19.439 11.418 1.00 44.24 C ATOM 384 CG1 VAL A1013 -15.724 19.228 12.260 1.00 47.08 C ATOM 385 CG2 VAL A1013 -17.017 20.856 10.865 1.00 45.26 C ATOM 386 H VAL A1013 -19.051 19.147 9.902 1.00 0.00 H ATOM 387 N ASP A1014 -15.725 16.375 10.457 1.00 52.42 N ATOM 388 CA ASP A1014 -15.425 14.988 10.842 1.00 60.87 C ATOM 389 C ASP A1014 -14.916 14.947 12.300 1.00 62.40 C ATOM 390 O ASP A1014 -13.963 15.664 12.623 1.00 59.97 O ATOM 391 CB ASP A1014 -14.364 14.417 9.895 1.00 60.57 C ATOM 392 CG ASP A1014 -14.209 12.915 10.021 1.00 63.70 C ATOM 393 OD1 ASP A1014 -14.366 12.382 11.139 1.00 64.58 O ATOM 394 OD2 ASP A1014 -13.921 12.270 8.993 1.00 64.42 O ATOM 395 H ASP A1014 -15.022 16.900 9.899 1.00 0.00 H ATOM 396 N PRO A1015 -15.551 14.128 13.181 1.00 67.88 N ATOM 397 CA PRO A1015 -15.112 14.034 14.597 1.00 71.83 C ATOM 398 C PRO A1015 -13.722 13.416 14.790 1.00 72.09 C ATOM 399 O PRO A1015 -13.078 13.679 15.804 1.00 73.40 O ATOM 400 CB PRO A1015 -16.178 13.141 15.252 1.00 71.58 C ATOM 401 CG PRO A1015 -17.352 13.199 14.332 1.00 70.40 C ATOM 402 CD PRO A1015 -16.779 13.342 12.952 1.00 66.72 C ATOM 403 N ASP A1016 -13.275 12.603 13.833 1.00 72.60 N ATOM 404 CA ASP A1016 -11.891 12.131 13.812 1.00 77.37 C ATOM 405 C ASP A1016 -10.962 13.328 13.715 1.00 77.40 C ATOM 406 O ASP A1016 -9.977 13.424 14.451 1.00 81.16 O ATOM 407 CB ASP A1016 -11.629 11.191 12.628 1.00 79.76 C ATOM 408 CG ASP A1016 -12.419 9.892 12.719 1.00 82.56 C ATOM 409 OD1 ASP A1016 -12.957 9.582 13.804 1.00 82.73 O ATOM 410 OD2 ASP A1016 -12.506 9.183 11.694 1.00 85.66 O ATOM 411 H ASP A1016 -13.927 12.297 13.083 1.00 0.00 H ATOM 412 N GLU A1017 -11.293 14.249 12.817 1.00 70.00 N ATOM 413 CA GLU A1017 -10.458 15.420 12.580 1.00 68.92 C ATOM 414 C GLU A1017 -10.625 16.521 13.632 1.00 63.86 C ATOM 415 O GLU A1017 -9.672 17.244 13.906 1.00 65.05 O ATOM 416 CB GLU A1017 -10.735 15.997 11.188 1.00 73.56 C ATOM 417 CG GLU A1017 -10.445 15.042 10.043 1.00 78.46 C ATOM 418 CD GLU A1017 -9.021 14.525 10.070 1.00 82.88 C ATOM 419 OE1 GLU A1017 -8.109 15.302 10.422 1.00 84.80 O ATOM 420 OE2 GLU A1017 -8.817 13.337 9.746 1.00 88.84 O ATOM 421 H GLU A1017 -12.169 14.132 12.270 1.00 0.00 H ATOM 422 N VAL A1018 -11.827 16.665 14.195 1.00 58.57 N ATOM 423 CA VAL A1018 -12.141 17.770 15.118 1.00 56.66 C ATOM 424 C VAL A1018 -13.068 17.205 16.204 1.00 62.08 C ATOM 425 O VAL A1018 -14.281 17.463 16.210 1.00 54.11 O ATOM 426 CB VAL A1018 -12.797 18.986 14.384 1.00 56.17 C ATOM 427 CG1 VAL A1018 -12.790 20.230 15.266 1.00 53.52 C ATOM 428 CG2 VAL A1018 -12.103 19.292 13.059 1.00 53.09 C ATOM 429 H VAL A1018 -12.570 15.971 13.974 1.00 0.00 H ATOM 430 N PRO A1019 -12.496 16.417 17.137 1.00 68.19 N ATOM 431 CA PRO A1019 -13.300 15.612 18.067 1.00 65.01 C ATOM 432 C PRO A1019 -14.181 16.401 19.028 1.00 60.21 C ATOM 433 O PRO A1019 -15.239 15.907 19.415 1.00 64.82 O ATOM 434 CB PRO A1019 -12.246 14.794 18.831 1.00 68.16 C ATOM 435 CG PRO A1019 -10.993 15.593 18.731 1.00 69.47 C ATOM 436 CD PRO A1019 -11.048 16.278 17.395 1.00 70.71 C ATOM 437 N ASP A1020 -13.780 17.612 19.398 1.00 55.48 N ATOM 438 CA ASP A1020 -14.613 18.431 20.292 1.00 60.58 C ATOM 439 C ASP A1020 -15.669 19.311 19.561 1.00 56.75 C ATOM 440 O ASP A1020 -16.367 20.109 20.201 1.00 55.46 O ATOM 441 CB ASP A1020 -13.728 19.310 21.178 1.00 66.39 C ATOM 442 CG ASP A1020 -12.958 20.356 20.387 1.00 72.17 C ATOM 443 OD1 ASP A1020 -12.406 19.996 19.319 1.00 80.25 O ATOM 444 OD2 ASP A1020 -12.906 21.529 20.833 1.00 75.04 O ATOM 445 H ASP A1020 -12.872 17.983 19.054 1.00 0.00 H ATOM 446 N TYR A1021 -15.793 19.172 18.240 1.00 51.70 N ATOM 447 CA TYR A1021 -16.669 20.085 17.475 1.00 48.71 C ATOM 448 C TYR A1021 -18.100 20.042 17.998 1.00 49.45 C ATOM 449 O TYR A1021 -18.663 21.077 18.370 1.00 47.05 O ATOM 450 CB TYR A1021 -16.660 19.763 15.971 1.00 46.73 C ATOM 451 CG TYR A1021 -17.314 20.851 15.144 1.00 42.91 C ATOM 452 CD1 TYR A1021 -16.645 22.054 14.890 1.00 40.80 C ATOM 453 CD2 TYR A1021 -18.613 20.701 14.649 1.00 42.59 C ATOM 454 CE1 TYR A1021 -17.234 23.066 14.145 1.00 37.96 C ATOM 455 CE2 TYR A1021 -19.212 21.705 13.893 1.00 37.66 C ATOM 456 CZ TYR A1021 -18.522 22.879 13.646 1.00 37.87 C ATOM 457 OH TYR A1021 -19.121 23.890 12.925 1.00 33.87 O ATOM 458 HH TYR A1021 -18.493 24.651 12.842 1.00 0.00 H ATOM 459 H TYR A1021 -15.272 18.419 17.747 1.00 0.00 H ATOM 460 N VAL A1022 -18.651 18.828 18.055 1.00 54.82 N ATOM 461 CA VAL A1022 -20.062 18.602 18.421 1.00 58.74 C ATOM 462 C VAL A1022 -20.414 19.011 19.856 1.00 57.25 C ATOM 463 O VAL A1022 -21.591 19.163 20.172 1.00 58.78 O ATOM 464 CB VAL A1022 -20.515 17.136 18.162 1.00 62.03 C ATOM 465 CG1 VAL A1022 -20.488 16.819 16.671 1.00 62.20 C ATOM 466 CG2 VAL A1022 -19.668 16.133 18.935 1.00 65.90 C ATOM 467 H VAL A1022 -18.058 18.003 17.831 1.00 0.00 H ATOM 468 N THR A1023 -19.409 19.216 20.704 1.00 57.27 N ATOM 469 CA THR A1023 -19.624 19.696 22.078 1.00 59.83 C ATOM 470 C THR A1023 -19.721 21.228 22.141 1.00 58.05 C ATOM 471 O THR A1023 -20.503 21.781 22.929 1.00 61.95 O ATOM 472 CB THR A1023 -18.509 19.204 23.044 1.00 64.37 C ATOM 473 OG1 THR A1023 -17.247 19.808 22.717 1.00 68.31 O ATOM 474 CG2 THR A1023 -18.368 17.680 22.980 1.00 65.59 C ATOM 475 HG1 THR A1023 -16.997 19.566 21.790 1.00 0.00 H ATOM 476 H THR A1023 -18.437 19.030 20.384 1.00 0.00 H ATOM 477 N VAL A1024 -18.939 21.905 21.298 1.00 52.34 N ATOM 478 CA VAL A1024 -18.949 23.374 21.214 1.00 47.59 C ATOM 479 C VAL A1024 -20.094 23.890 20.319 1.00 44.17 C ATOM 480 O VAL A1024 -20.777 24.868 20.646 1.00 45.22 O ATOM 481 CB VAL A1024 -17.608 23.895 20.651 1.00 49.91 C ATOM 482 CG1 VAL A1024 -17.555 25.420 20.687 1.00 52.22 C ATOM 483 CG2 VAL A1024 -16.434 23.282 21.414 1.00 52.76 C ATOM 484 H VAL A1024 -18.297 21.373 20.676 1.00 0.00 H ATOM 485 N ILE A1025 -20.272 23.248 19.173 1.00 40.05 N ATOM 486 CA ILE A1025 -21.251 23.703 18.176 1.00 35.45 C ATOM 487 C ILE A1025 -22.534 22.861 18.254 1.00 36.78 C ATOM 488 O ILE A1025 -22.532 21.651 17.954 1.00 34.88 O ATOM 489 CB ILE A1025 -20.633 23.622 16.759 1.00 33.75 C ATOM 490 CG1 ILE A1025 -19.438 24.569 16.648 1.00 31.09 C ATOM 491 CG2 ILE A1025 -21.674 23.950 15.694 1.00 33.10 C ATOM 492 CD1 ILE A1025 -19.764 26.037 16.832 1.00 31.35 C ATOM 493 H ILE A1025 -19.704 22.400 18.974 1.00 0.00 H ATOM 494 N LYS A1026 -23.623 23.520 18.630 1.00 37.94 N ATOM 495 CA LYS A1026 -24.885 22.824 18.936 1.00 42.78 C ATOM 496 C LYS A1026 -25.706 22.469 17.699 1.00 42.89 C ATOM 497 O LYS A1026 -26.445 21.488 17.710 1.00 39.68 O ATOM 498 CB LYS A1026 -25.735 23.691 19.873 1.00 48.36 C ATOM 499 CG LYS A1026 -25.035 24.070 21.166 1.00 52.70 C ATOM 500 CD LYS A1026 -24.389 22.846 21.796 1.00 58.16 C ATOM 501 CE LYS A1026 -23.837 23.120 23.181 1.00 59.94 C ATOM 502 NZ LYS A1026 -23.116 21.897 23.644 1.00 63.30 N ATOM 503 HZ1 LYS A1026 -23.779 21.096 23.674 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -22.341 21.683 22.985 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -22.728 22.064 24.595 1.00 0.00 H ATOM 506 H LYS A1026 -23.584 24.556 18.711 1.00 0.00 H ATOM 507 N GLN A1027 -25.584 23.260 16.635 1.00 38.59 N ATOM 508 CA GLN A1027 -26.297 22.975 15.385 1.00 37.26 C ATOM 509 C GLN A1027 -25.327 23.007 14.225 1.00 32.62 C ATOM 510 O GLN A1027 -25.268 24.008 13.529 1.00 30.77 O ATOM 511 CB GLN A1027 -27.336 24.045 15.087 1.00 39.38 C ATOM 512 CG GLN A1027 -28.522 24.114 15.993 1.00 43.32 C ATOM 513 CD GLN A1027 -29.580 25.033 15.429 1.00 42.32 C ATOM 514 OE1 GLN A1027 -29.638 26.211 15.774 1.00 42.08 O ATOM 515 NE2 GLN A1027 -30.388 24.508 14.524 1.00 45.73 N ATOM 516 HE22 GLN A1027 -30.298 23.504 14.266 1.00 0.00 H ATOM 517 HE21 GLN A1027 -31.113 25.099 14.070 1.00 0.00 H ATOM 518 H GLN A1027 -24.970 24.098 16.691 1.00 0.00 H ATOM 519 N PRO A1028 -24.601 21.919 14.012 1.00 32.96 N ATOM 520 CA PRO A1028 -23.703 21.818 12.875 1.00 32.52 C ATOM 521 C PRO A1028 -24.461 21.972 11.571 1.00 31.75 C ATOM 522 O PRO A1028 -25.610 21.508 11.440 1.00 30.08 O ATOM 523 CB PRO A1028 -23.143 20.401 12.988 1.00 33.03 C ATOM 524 CG PRO A1028 -23.320 20.027 14.418 1.00 35.31 C ATOM 525 CD PRO A1028 -24.567 20.715 14.857 1.00 33.38 C ATOM 526 N MET A1029 -23.840 22.627 10.604 1.00 27.92 N ATOM 527 CA MET A1029 -24.468 22.777 9.284 1.00 28.16 C ATOM 528 C MET A1029 -23.365 22.850 8.246 1.00 27.41 C ATOM 529 O MET A1029 -22.279 23.320 8.550 1.00 28.87 O ATOM 530 CB MET A1029 -25.352 24.023 9.265 1.00 29.48 C ATOM 531 CG MET A1029 -26.262 24.191 8.033 1.00 29.32 C ATOM 532 SD MET A1029 -27.246 22.749 7.595 1.00 30.89 S ATOM 533 CE MET A1029 -28.224 22.676 9.092 1.00 33.18 C ATOM 534 H MET A1029 -22.901 23.039 10.779 1.00 0.00 H ATOM 535 N ASP A1030 -23.647 22.326 7.063 1.00 28.39 N ATOM 536 CA ASP A1030 -22.721 22.276 5.955 1.00 28.78 C ATOM 537 C ASP A1030 -23.530 22.178 4.659 1.00 28.52 C ATOM 538 O ASP A1030 -24.740 21.896 4.679 1.00 26.38 O ATOM 539 CB ASP A1030 -21.822 21.058 6.078 1.00 28.91 C ATOM 540 CG ASP A1030 -22.573 19.779 5.850 1.00 31.07 C ATOM 541 OD1 ASP A1030 -23.222 19.285 6.800 1.00 36.55 O ATOM 542 OD2 ASP A1030 -22.570 19.285 4.708 1.00 35.45 O ATOM 543 H ASP A1030 -24.596 21.925 6.922 1.00 0.00 H ATOM 544 N LEU A1031 -22.861 22.398 3.533 1.00 26.43 N ATOM 545 CA LEU A1031 -23.552 22.425 2.256 1.00 25.71 C ATOM 546 C LEU A1031 -24.171 21.092 1.813 1.00 26.60 C ATOM 547 O LEU A1031 -25.189 21.102 1.098 1.00 26.25 O ATOM 548 CB LEU A1031 -22.648 22.976 1.164 1.00 24.51 C ATOM 549 CG LEU A1031 -22.205 24.425 1.400 1.00 24.31 C ATOM 550 CD1 LEU A1031 -21.182 24.817 0.335 1.00 24.95 C ATOM 551 CD2 LEU A1031 -23.379 25.388 1.366 1.00 24.75 C ATOM 552 H LEU A1031 -21.833 22.552 3.566 1.00 0.00 H ATOM 553 N SER A1032 -23.593 19.945 2.195 1.00 26.36 N ATOM 554 CA SER A1032 -24.206 18.655 1.860 1.00 27.77 C ATOM 555 C SER A1032 -25.517 18.486 2.627 1.00 27.41 C ATOM 556 O SER A1032 -26.487 17.952 2.086 1.00 28.40 O ATOM 557 CB SER A1032 -23.265 17.460 2.131 1.00 27.63 C ATOM 558 OG SER A1032 -22.872 17.418 3.489 1.00 29.78 O ATOM 559 HG SER A1032 -22.396 18.255 3.720 1.00 0.00 H ATOM 560 H SER A1032 -22.703 19.969 2.733 1.00 0.00 H ATOM 561 N SER A1033 -25.542 18.946 3.865 1.00 26.92 N ATOM 562 CA SER A1033 -26.738 18.864 4.694 1.00 30.17 C ATOM 563 C SER A1033 -27.803 19.805 4.183 1.00 27.69 C ATOM 564 O SER A1033 -28.992 19.516 4.265 1.00 25.46 O ATOM 565 CB SER A1033 -26.441 19.168 6.163 1.00 31.53 C ATOM 566 OG SER A1033 -25.548 18.179 6.680 1.00 33.16 O ATOM 567 HG SER A1033 -24.705 18.194 6.161 1.00 0.00 H ATOM 568 H SER A1033 -24.683 19.379 4.260 1.00 0.00 H ATOM 569 N VAL A1034 -27.373 20.958 3.675 1.00 25.25 N ATOM 570 CA VAL A1034 -28.325 21.865 3.028 1.00 24.58 C ATOM 571 C VAL A1034 -28.994 21.186 1.836 1.00 23.01 C ATOM 572 O VAL A1034 -30.236 21.256 1.712 1.00 24.97 O ATOM 573 CB VAL A1034 -27.652 23.206 2.658 1.00 23.32 C ATOM 574 CG1 VAL A1034 -28.522 24.058 1.744 1.00 23.62 C ATOM 575 CG2 VAL A1034 -27.316 23.971 3.908 1.00 24.48 C ATOM 576 H VAL A1034 -26.367 21.214 3.737 1.00 0.00 H ATOM 577 N ILE A1035 -28.231 20.503 0.977 1.00 23.87 N ATOM 578 CA ILE A1035 -28.784 19.782 -0.173 1.00 24.24 C ATOM 579 C ILE A1035 -29.782 18.733 0.314 1.00 25.94 C ATOM 580 O ILE A1035 -30.877 18.634 -0.209 1.00 24.61 O ATOM 581 CB ILE A1035 -27.699 19.119 -1.036 1.00 28.02 C ATOM 582 CG1 ILE A1035 -26.851 20.193 -1.727 1.00 31.45 C ATOM 583 CG2 ILE A1035 -28.316 18.178 -2.066 1.00 29.10 C ATOM 584 CD1 ILE A1035 -27.568 20.881 -2.864 1.00 36.15 C ATOM 585 H ILE A1035 -27.203 20.482 1.131 1.00 0.00 H ATOM 586 N SER A1036 -29.404 17.990 1.342 1.00 27.26 N ATOM 587 CA SER A1036 -30.327 17.016 1.982 1.00 27.47 C ATOM 588 C SER A1036 -31.628 17.639 2.430 1.00 26.27 C ATOM 589 O SER A1036 -32.711 17.099 2.156 1.00 27.22 O ATOM 590 CB SER A1036 -29.643 16.363 3.193 1.00 30.24 C ATOM 591 OG SER A1036 -28.594 15.571 2.708 1.00 36.19 O ATOM 592 HG SER A1036 -27.953 16.141 2.214 1.00 0.00 H ATOM 593 H SER A1036 -28.437 18.090 1.711 1.00 0.00 H ATOM 594 N LYS A1037 -31.533 18.779 3.106 1.00 24.23 N ATOM 595 CA LYS A1037 -32.699 19.481 3.574 1.00 25.63 C ATOM 596 C LYS A1037 -33.572 20.020 2.437 1.00 25.68 C ATOM 597 O LYS A1037 -34.800 20.008 2.535 1.00 25.92 O ATOM 598 CB LYS A1037 -32.312 20.568 4.560 1.00 25.64 C ATOM 599 CG LYS A1037 -31.906 20.029 5.929 1.00 25.99 C ATOM 600 CD LYS A1037 -31.538 21.124 6.903 1.00 26.02 C ATOM 601 CE LYS A1037 -32.770 21.904 7.345 1.00 29.45 C ATOM 602 NZ LYS A1037 -32.478 22.822 8.459 1.00 31.75 N ATOM 603 HZ1 LYS A1037 -32.131 22.277 9.274 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -31.752 23.505 8.163 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -33.346 23.330 8.725 1.00 0.00 H ATOM 606 H LYS A1037 -30.591 19.174 3.302 1.00 0.00 H ATOM 607 N ILE A1038 -32.961 20.456 1.330 1.00 23.72 N ATOM 608 CA ILE A1038 -33.752 20.870 0.169 1.00 24.31 C ATOM 609 C ILE A1038 -34.595 19.678 -0.304 1.00 24.58 C ATOM 610 O ILE A1038 -35.829 19.816 -0.522 1.00 24.40 O ATOM 611 CB ILE A1038 -32.888 21.398 -1.003 1.00 23.66 C ATOM 612 CG1 ILE A1038 -32.150 22.684 -0.611 1.00 23.23 C ATOM 613 CG2 ILE A1038 -33.776 21.610 -2.225 1.00 24.20 C ATOM 614 CD1 ILE A1038 -31.018 23.027 -1.574 1.00 22.85 C ATOM 615 H ILE A1038 -31.923 20.501 1.294 1.00 0.00 H ATOM 616 N ASP A1039 -33.924 18.533 -0.417 1.00 24.45 N ATOM 617 CA ASP A1039 -34.516 17.311 -0.978 1.00 27.18 C ATOM 618 C ASP A1039 -35.602 16.756 -0.055 1.00 29.92 C ATOM 619 O ASP A1039 -36.552 16.122 -0.546 1.00 30.19 O ATOM 620 CB ASP A1039 -33.446 16.262 -1.241 1.00 28.52 C ATOM 621 CG ASP A1039 -32.521 16.629 -2.406 1.00 30.67 C ATOM 622 OD1 ASP A1039 -32.803 17.606 -3.117 1.00 30.61 O ATOM 623 OD2 ASP A1039 -31.478 15.946 -2.616 1.00 33.49 O ATOM 624 H ASP A1039 -32.936 18.503 -0.093 1.00 0.00 H ATOM 625 N LEU A1040 -35.480 17.029 1.248 1.00 28.62 N ATOM 626 CA LEU A1040 -36.492 16.652 2.258 1.00 28.65 C ATOM 627 C LEU A1040 -37.606 17.668 2.376 1.00 30.23 C ATOM 628 O LEU A1040 -38.438 17.562 3.267 1.00 31.27 O ATOM 629 CB LEU A1040 -35.841 16.448 3.629 1.00 28.96 C ATOM 630 CG LEU A1040 -34.880 15.264 3.699 1.00 29.70 C ATOM 631 CD1 LEU A1040 -34.028 15.315 4.958 1.00 31.34 C ATOM 632 CD2 LEU A1040 -35.637 13.940 3.649 1.00 30.66 C ATOM 633 H LEU A1040 -34.628 17.533 1.568 1.00 0.00 H ATOM 634 N HIS A1041 -37.634 18.681 1.499 1.00 28.55 N ATOM 635 CA HIS A1041 -38.671 19.708 1.517 1.00 27.20 C ATOM 636 C HIS A1041 -38.721 20.526 2.818 1.00 30.56 C ATOM 637 O HIS A1041 -39.762 21.034 3.238 1.00 31.29 O ATOM 638 CB HIS A1041 -40.066 19.115 1.170 1.00 29.12 C ATOM 639 CG HIS A1041 -40.133 18.400 -0.136 1.00 30.74 C ATOM 640 ND1 HIS A1041 -41.334 18.075 -0.731 1.00 34.00 N ATOM 641 CD2 HIS A1041 -39.168 17.949 -0.975 1.00 32.92 C ATOM 642 CE1 HIS A1041 -41.106 17.451 -1.871 1.00 31.71 C ATOM 643 NE2 HIS A1041 -39.802 17.350 -2.039 1.00 35.57 N ATOM 644 H HIS A1041 -36.887 18.738 0.777 1.00 0.00 H ATOM 645 N LYS A1042 -37.563 20.764 3.413 1.00 28.78 N ATOM 646 CA LYS A1042 -37.495 21.519 4.637 1.00 27.75 C ATOM 647 C LYS A1042 -37.473 23.015 4.405 1.00 29.11 C ATOM 648 O LYS A1042 -37.719 23.760 5.329 1.00 30.08 O ATOM 649 CB LYS A1042 -36.254 21.131 5.453 1.00 31.51 C ATOM 650 CG LYS A1042 -36.173 19.665 5.836 1.00 35.51 C ATOM 651 CD LYS A1042 -37.150 19.351 6.942 1.00 41.11 C ATOM 652 CE LYS A1042 -37.083 17.882 7.377 1.00 45.28 C ATOM 653 NZ LYS A1042 -36.076 17.671 8.447 1.00 47.28 N ATOM 654 HZ1 LYS A1042 -35.137 17.953 8.099 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -36.327 18.247 9.276 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -36.061 16.666 8.714 1.00 0.00 H ATOM 657 H LYS A1042 -36.686 20.399 2.989 1.00 0.00 H ATOM 658 N TYR A1043 -37.158 23.487 3.198 1.00 26.19 N ATOM 659 CA TYR A1043 -37.149 24.920 2.967 1.00 24.61 C ATOM 660 C TYR A1043 -38.342 25.311 2.107 1.00 25.28 C ATOM 661 O TYR A1043 -38.426 24.893 0.961 1.00 29.84 O ATOM 662 CB TYR A1043 -35.886 25.365 2.249 1.00 24.08 C ATOM 663 CG TYR A1043 -34.591 25.002 2.944 1.00 23.28 C ATOM 664 CD1 TYR A1043 -34.286 25.462 4.208 1.00 24.50 C ATOM 665 CD2 TYR A1043 -33.653 24.176 2.298 1.00 23.18 C ATOM 666 CE1 TYR A1043 -33.076 25.109 4.827 1.00 25.03 C ATOM 667 CE2 TYR A1043 -32.450 23.839 2.911 1.00 22.73 C ATOM 668 CZ TYR A1043 -32.169 24.303 4.172 1.00 23.96 C ATOM 669 OH TYR A1043 -30.948 23.939 4.776 1.00 24.49 O ATOM 670 HH TYR A1043 -30.892 24.348 5.676 1.00 0.00 H ATOM 671 H TYR A1043 -36.920 22.832 2.426 1.00 0.00 H ATOM 672 N LEU A1044 -39.235 26.117 2.666 1.00 25.01 N ATOM 673 CA LEU A1044 -40.403 26.611 1.913 1.00 27.47 C ATOM 674 C LEU A1044 -40.224 28.057 1.525 1.00 27.34 C ATOM 675 O LEU A1044 -41.034 28.583 0.770 1.00 25.39 O ATOM 676 CB LEU A1044 -41.688 26.448 2.746 1.00 29.47 C ATOM 677 CG LEU A1044 -42.038 25.044 3.250 1.00 34.56 C ATOM 678 CD1 LEU A1044 -43.446 25.038 3.855 1.00 36.28 C ATOM 679 CD2 LEU A1044 -41.938 24.013 2.156 1.00 34.92 C ATOM 680 H LEU A1044 -39.109 26.407 3.657 1.00 0.00 H ATOM 681 N THR A1045 -39.142 28.713 1.996 1.00 24.61 N ATOM 682 CA THR A1045 -38.853 30.071 1.575 1.00 23.63 C ATOM 683 C THR A1045 -37.340 30.232 1.478 1.00 24.04 C ATOM 684 O THR A1045 -36.600 29.414 2.053 1.00 23.20 O ATOM 685 CB THR A1045 -39.367 31.123 2.559 1.00 26.16 C ATOM 686 OG1 THR A1045 -38.610 31.082 3.772 1.00 28.03 O ATOM 687 CG2 THR A1045 -40.861 30.896 2.897 1.00 27.93 C ATOM 688 HG1 THR A1045 -38.954 31.768 4.398 1.00 0.00 H ATOM 689 H THR A1045 -38.507 28.239 2.670 1.00 0.00 H ATOM 690 N VAL A1046 -36.915 31.256 0.757 1.00 24.45 N ATOM 691 CA VAL A1046 -35.483 31.538 0.652 1.00 25.26 C ATOM 692 C VAL A1046 -34.951 32.005 2.015 1.00 26.66 C ATOM 693 O VAL A1046 -33.777 31.735 2.365 1.00 26.22 O ATOM 694 CB VAL A1046 -35.167 32.563 -0.446 1.00 25.67 C ATOM 695 CG1 VAL A1046 -33.672 32.845 -0.462 1.00 25.81 C ATOM 696 CG2 VAL A1046 -35.608 32.047 -1.816 1.00 25.86 C ATOM 697 H VAL A1046 -37.601 31.863 0.263 1.00 0.00 H ATOM 698 N LYS A1047 -35.779 32.695 2.809 1.00 28.00 N ATOM 699 CA LYS A1047 -35.368 33.063 4.168 1.00 31.21 C ATOM 700 C LYS A1047 -34.995 31.885 5.023 1.00 29.91 C ATOM 701 O LYS A1047 -34.008 31.954 5.783 1.00 31.37 O ATOM 702 CB LYS A1047 -36.423 33.912 4.906 1.00 37.59 C ATOM 703 CG LYS A1047 -36.471 35.326 4.396 1.00 47.24 C ATOM 704 CD LYS A1047 -37.385 36.255 5.198 1.00 56.93 C ATOM 705 CE LYS A1047 -37.343 37.659 4.590 1.00 62.86 C ATOM 706 NZ LYS A1047 -37.903 38.711 5.485 1.00 71.34 N ATOM 707 HZ1 LYS A1047 -38.898 38.492 5.696 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -37.358 38.738 6.370 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -37.843 39.635 5.012 1.00 0.00 H ATOM 710 H LYS A1047 -36.719 32.972 2.460 1.00 0.00 H ATOM 711 N ASP A1048 -35.740 30.788 4.917 1.00 27.84 N ATOM 712 CA ASP A1048 -35.405 29.606 5.696 1.00 28.49 C ATOM 713 C ASP A1048 -34.042 28.983 5.235 1.00 26.65 C ATOM 714 O ASP A1048 -33.263 28.532 6.040 1.00 26.88 O ATOM 715 CB ASP A1048 -36.515 28.583 5.644 1.00 32.91 C ATOM 716 CG ASP A1048 -37.768 29.043 6.419 1.00 37.71 C ATOM 717 OD1 ASP A1048 -37.698 30.014 7.200 1.00 44.74 O ATOM 718 OD2 ASP A1048 -38.821 28.451 6.188 1.00 48.24 O ATOM 719 H ASP A1048 -36.561 30.775 4.278 1.00 0.00 H ATOM 720 N TYR A1049 -33.799 28.976 3.931 1.00 24.20 N ATOM 721 CA TYR A1049 -32.498 28.558 3.393 1.00 23.48 C ATOM 722 C TYR A1049 -31.342 29.450 3.908 1.00 23.43 C ATOM 723 O TYR A1049 -30.294 28.942 4.359 1.00 23.73 O ATOM 724 CB TYR A1049 -32.596 28.599 1.873 1.00 21.61 C ATOM 725 CG TYR A1049 -31.331 28.384 1.138 1.00 21.13 C ATOM 726 CD1 TYR A1049 -30.892 27.121 0.850 1.00 20.21 C ATOM 727 CD2 TYR A1049 -30.580 29.468 0.708 1.00 21.41 C ATOM 728 CE1 TYR A1049 -29.726 26.914 0.130 1.00 20.55 C ATOM 729 CE2 TYR A1049 -29.411 29.289 -0.019 1.00 20.90 C ATOM 730 CZ TYR A1049 -28.975 28.010 -0.282 1.00 21.96 C ATOM 731 OH TYR A1049 -27.835 27.783 -1.029 1.00 22.09 O ATOM 732 HH TYR A1049 -27.684 26.808 -1.110 1.00 0.00 H ATOM 733 H TYR A1049 -34.548 29.274 3.274 1.00 0.00 H ATOM 734 N LEU A1050 -31.521 30.769 3.824 1.00 23.78 N ATOM 735 CA LEU A1050 -30.463 31.704 4.241 1.00 25.41 C ATOM 736 C LEU A1050 -30.183 31.600 5.723 1.00 28.06 C ATOM 737 O LEU A1050 -29.047 31.852 6.165 1.00 27.01 O ATOM 738 CB LEU A1050 -30.761 33.131 3.845 1.00 25.61 C ATOM 739 CG LEU A1050 -30.724 33.405 2.352 1.00 26.89 C ATOM 740 CD1 LEU A1050 -31.297 34.784 2.086 1.00 30.44 C ATOM 741 CD2 LEU A1050 -29.316 33.251 1.781 1.00 27.21 C ATOM 742 H LEU A1050 -32.420 31.142 3.459 1.00 0.00 H ATOM 743 N ARG A1051 -31.160 31.149 6.507 1.00 26.92 N ATOM 744 CA ARG A1051 -30.894 30.916 7.919 1.00 28.49 C ATOM 745 C ARG A1051 -29.871 29.818 8.140 1.00 26.06 C ATOM 746 O ARG A1051 -29.056 29.915 9.052 1.00 28.67 O ATOM 747 CB ARG A1051 -32.188 30.604 8.700 1.00 34.75 C ATOM 748 CG ARG A1051 -32.866 31.840 9.241 1.00 42.70 C ATOM 749 CD ARG A1051 -33.893 31.486 10.332 1.00 50.17 C ATOM 750 NE ARG A1051 -35.219 31.345 9.744 1.00 59.90 N ATOM 751 CZ ARG A1051 -35.996 32.365 9.371 1.00 63.37 C ATOM 752 NH1 ARG A1051 -35.595 33.625 9.537 1.00 64.96 N ATOM 753 NH2 ARG A1051 -37.180 32.122 8.822 1.00 67.08 N ATOM 754 HE ARG A1051 -35.586 30.382 9.605 1.00 0.00 H ATOM 755 HH12 ARG A1051 -36.210 34.410 9.242 1.00 0.00 H ATOM 756 HH11 ARG A1051 -34.667 33.824 9.962 1.00 0.00 H ATOM 757 HH22 ARG A1051 -37.790 32.912 8.529 1.00 0.00 H ATOM 758 HH21 ARG A1051 -37.498 31.141 8.684 1.00 0.00 H ATOM 759 H ARG A1051 -32.105 30.965 6.114 1.00 0.00 H ATOM 760 N ASP A1052 -29.882 28.794 7.289 1.00 24.97 N ATOM 761 CA ASP A1052 -28.913 27.725 7.360 1.00 23.73 C ATOM 762 C ASP A1052 -27.559 28.173 6.781 1.00 24.10 C ATOM 763 O ASP A1052 -26.510 27.801 7.332 1.00 23.61 O ATOM 764 CB ASP A1052 -29.428 26.458 6.710 1.00 25.68 C ATOM 765 CG ASP A1052 -30.311 25.619 7.656 1.00 29.47 C ATOM 766 OD1 ASP A1052 -30.362 25.991 8.861 1.00 29.48 O ATOM 767 OD2 ASP A1052 -30.868 24.574 7.193 1.00 28.51 O ATOM 768 H ASP A1052 -30.612 28.763 6.549 1.00 0.00 H ATOM 769 N ILE A1053 -27.570 28.989 5.731 1.00 22.98 N ATOM 770 CA ILE A1053 -26.279 29.572 5.247 1.00 23.51 C ATOM 771 C ILE A1053 -25.653 30.404 6.384 1.00 24.30 C ATOM 772 O ILE A1053 -24.441 30.296 6.670 1.00 24.88 O ATOM 773 CB ILE A1053 -26.476 30.449 3.982 1.00 24.61 C ATOM 774 CG1 ILE A1053 -27.016 29.624 2.809 1.00 24.32 C ATOM 775 CG2 ILE A1053 -25.152 31.107 3.584 1.00 25.14 C ATOM 776 CD1 ILE A1053 -26.198 28.414 2.402 1.00 26.53 C ATOM 777 H ILE A1053 -28.464 29.219 5.252 1.00 0.00 H ATOM 778 N ASP A1054 -26.466 31.249 7.023 1.00 24.22 N ATOM 779 CA ASP A1054 -26.045 32.038 8.169 1.00 26.90 C ATOM 780 C ASP A1054 -25.441 31.168 9.272 1.00 25.75 C ATOM 781 O ASP A1054 -24.462 31.602 9.906 1.00 26.61 O ATOM 782 CB ASP A1054 -27.176 32.856 8.789 1.00 29.65 C ATOM 783 CG ASP A1054 -27.638 34.014 7.927 1.00 35.47 C ATOM 784 OD1 ASP A1054 -26.895 34.503 7.077 1.00 38.59 O ATOM 785 OD2 ASP A1054 -28.774 34.479 8.143 1.00 42.70 O ATOM 786 H ASP A1054 -27.445 31.347 6.685 1.00 0.00 H ATOM 787 N LEU A1055 -26.013 29.983 9.525 1.00 25.06 N ATOM 788 CA LEU A1055 -25.555 29.086 10.567 1.00 25.78 C ATOM 789 C LEU A1055 -24.186 28.479 10.203 1.00 25.84 C ATOM 790 O LEU A1055 -23.288 28.337 11.058 1.00 26.01 O ATOM 791 CB LEU A1055 -26.605 27.965 10.753 1.00 28.47 C ATOM 792 CG LEU A1055 -26.378 26.915 11.806 1.00 31.35 C ATOM 793 CD1 LEU A1055 -26.266 27.594 13.165 1.00 32.09 C ATOM 794 CD2 LEU A1055 -27.527 25.907 11.731 1.00 30.85 C ATOM 795 H LEU A1055 -26.826 29.693 8.945 1.00 0.00 H ATOM 796 N ILE A1056 -23.993 28.141 8.934 1.00 26.05 N ATOM 797 CA ILE A1056 -22.667 27.685 8.489 1.00 24.80 C ATOM 798 C ILE A1056 -21.644 28.773 8.860 1.00 25.24 C ATOM 799 O ILE A1056 -20.582 28.480 9.458 1.00 26.42 O ATOM 800 CB ILE A1056 -22.613 27.386 6.971 1.00 25.37 C ATOM 801 CG1 ILE A1056 -23.508 26.188 6.599 1.00 24.78 C ATOM 802 CG2 ILE A1056 -21.171 27.125 6.550 1.00 27.26 C ATOM 803 CD1 ILE A1056 -23.638 25.922 5.107 1.00 24.90 C ATOM 804 H ILE A1056 -24.779 28.198 8.255 1.00 0.00 H ATOM 805 N CYS A1057 -21.963 30.020 8.552 1.00 24.54 N ATOM 806 CA CYS A1057 -21.073 31.132 8.829 1.00 28.09 C ATOM 807 C CYS A1057 -20.880 31.388 10.332 1.00 29.19 C ATOM 808 O CYS A1057 -19.734 31.463 10.818 1.00 26.17 O ATOM 809 CB CYS A1057 -21.577 32.398 8.157 1.00 28.02 C ATOM 810 SG CYS A1057 -20.506 33.842 8.337 1.00 30.80 S ATOM 811 H CYS A1057 -22.879 30.209 8.098 1.00 0.00 H ATOM 812 N SER A1058 -21.976 31.547 11.081 1.00 26.47 N ATOM 813 CA SER A1058 -21.845 31.762 12.532 1.00 27.47 C ATOM 814 C SER A1058 -21.113 30.629 13.282 1.00 26.07 C ATOM 815 O SER A1058 -20.356 30.910 14.227 1.00 28.48 O ATOM 816 CB SER A1058 -23.210 32.070 13.170 1.00 29.32 C ATOM 817 OG SER A1058 -24.082 30.995 12.947 1.00 36.56 O ATOM 818 HG SER A1058 -23.704 30.175 13.353 1.00 0.00 H ATOM 819 H SER A1058 -22.918 31.519 10.641 1.00 0.00 H ATOM 820 N ASN A1059 -21.312 29.372 12.887 1.00 25.01 N ATOM 821 CA ASN A1059 -20.641 28.242 13.525 1.00 25.61 C ATOM 822 C ASN A1059 -19.106 28.370 13.310 1.00 27.11 C ATOM 823 O ASN A1059 -18.313 28.109 14.213 1.00 26.93 O ATOM 824 CB ASN A1059 -21.069 26.900 12.952 1.00 26.29 C ATOM 825 CG ASN A1059 -22.472 26.460 13.403 1.00 26.18 C ATOM 826 OD1 ASN A1059 -23.061 27.047 14.299 1.00 28.99 O ATOM 827 ND2 ASN A1059 -22.974 25.405 12.791 1.00 26.84 N ATOM 828 HD22 ASN A1059 -22.436 24.938 12.034 1.00 0.00 H ATOM 829 HD21 ASN A1059 -23.908 25.040 13.066 1.00 0.00 H ATOM 830 H ASN A1059 -21.966 29.190 12.099 1.00 0.00 H ATOM 831 N ALA A1060 -18.717 28.772 12.101 1.00 26.27 N ATOM 832 CA ALA A1060 -17.277 28.919 11.797 1.00 26.35 C ATOM 833 C ALA A1060 -16.671 30.061 12.624 1.00 27.12 C ATOM 834 O ALA A1060 -15.549 29.923 13.143 1.00 29.64 O ATOM 835 CB ALA A1060 -17.078 29.163 10.315 1.00 27.36 C ATOM 836 H ALA A1060 -19.426 28.983 11.370 1.00 0.00 H ATOM 837 N LEU A1061 -17.393 31.171 12.747 1.00 27.67 N ATOM 838 CA LEU A1061 -16.946 32.307 13.555 1.00 31.90 C ATOM 839 C LEU A1061 -16.849 31.943 15.036 1.00 36.09 C ATOM 840 O LEU A1061 -15.941 32.383 15.734 1.00 34.90 O ATOM 841 CB LEU A1061 -17.867 33.510 13.383 1.00 33.05 C ATOM 842 CG LEU A1061 -17.585 34.459 12.207 1.00 38.27 C ATOM 843 CD1 LEU A1061 -17.011 33.793 10.967 1.00 38.95 C ATOM 844 CD2 LEU A1061 -18.839 35.211 11.846 1.00 39.92 C ATOM 845 H LEU A1061 -18.306 31.234 12.253 1.00 0.00 H ATOM 846 N GLU A1062 -17.789 31.134 15.510 1.00 34.33 N ATOM 847 CA GLU A1062 -17.808 30.746 16.916 1.00 35.04 C ATOM 848 C GLU A1062 -16.722 29.739 17.218 1.00 33.15 C ATOM 849 O GLU A1062 -16.045 29.859 18.230 1.00 36.17 O ATOM 850 CB GLU A1062 -19.183 30.174 17.312 1.00 40.33 C ATOM 851 CG GLU A1062 -19.294 29.743 18.772 1.00 47.33 C ATOM 852 CD GLU A1062 -20.646 29.108 19.112 1.00 58.39 C ATOM 853 OE1 GLU A1062 -21.639 29.384 18.388 1.00 58.69 O ATOM 854 OE2 GLU A1062 -20.711 28.330 20.101 1.00 63.62 O ATOM 855 H GLU A1062 -18.523 30.771 14.869 1.00 0.00 H ATOM 856 N TYR A1063 -16.536 28.756 16.364 1.00 30.86 N ATOM 857 CA TYR A1063 -15.555 27.734 16.626 1.00 32.17 C ATOM 858 C TYR A1063 -14.104 28.199 16.378 1.00 34.13 C ATOM 859 O TYR A1063 -13.173 27.598 16.913 1.00 35.94 O ATOM 860 CB TYR A1063 -15.821 26.474 15.821 1.00 35.44 C ATOM 861 CG TYR A1063 -15.017 25.311 16.320 1.00 39.13 C ATOM 862 CD1 TYR A1063 -15.408 24.627 17.475 1.00 41.76 C ATOM 863 CD2 TYR A1063 -13.832 24.921 15.693 1.00 40.01 C ATOM 864 CE1 TYR A1063 -14.668 23.568 17.958 1.00 43.08 C ATOM 865 CE2 TYR A1063 -13.097 23.853 16.171 1.00 42.84 C ATOM 866 CZ TYR A1063 -13.525 23.188 17.306 1.00 44.26 C ATOM 867 OH TYR A1063 -12.817 22.132 17.813 1.00 53.21 O ATOM 868 HH TYR A1063 -13.274 21.787 18.621 1.00 0.00 H ATOM 869 H TYR A1063 -17.102 28.716 15.492 1.00 0.00 H ATOM 870 N ASN A1064 -13.925 29.260 15.591 1.00 32.75 N ATOM 871 CA ASN A1064 -12.583 29.693 15.161 1.00 32.13 C ATOM 872 C ASN A1064 -12.435 31.175 15.405 1.00 29.49 C ATOM 873 O ASN A1064 -12.291 31.945 14.484 1.00 32.18 O ATOM 874 CB ASN A1064 -12.370 29.362 13.667 1.00 31.07 C ATOM 875 CG ASN A1064 -12.610 27.906 13.339 1.00 33.39 C ATOM 876 OD1 ASN A1064 -11.741 27.055 13.521 1.00 32.18 O ATOM 877 ND2 ASN A1064 -13.805 27.598 12.829 1.00 33.33 N ATOM 878 HD22 ASN A1064 -14.518 28.342 12.688 1.00 0.00 H ATOM 879 HD21 ASN A1064 -14.023 26.614 12.573 1.00 0.00 H ATOM 880 H ASN A1064 -14.756 29.798 15.271 1.00 0.00 H ATOM 881 N PRO A1065 -12.447 31.600 16.669 1.00 31.62 N ATOM 882 CA PRO A1065 -12.498 33.027 17.019 1.00 31.94 C ATOM 883 C PRO A1065 -11.140 33.721 17.198 1.00 33.34 C ATOM 884 O PRO A1065 -11.115 34.923 17.419 1.00 35.79 O ATOM 885 CB PRO A1065 -13.200 33.000 18.384 1.00 33.73 C ATOM 886 CG PRO A1065 -12.728 31.727 18.980 1.00 32.40 C ATOM 887 CD PRO A1065 -12.596 30.739 17.867 1.00 34.13 C ATOM 888 N ASP A1066 -10.048 32.978 17.088 1.00 34.61 N ATOM 889 CA ASP A1066 -8.730 33.518 17.483 1.00 35.75 C ATOM 890 C ASP A1066 -8.074 34.343 16.396 1.00 36.02 C ATOM 891 O ASP A1066 -8.554 34.391 15.257 1.00 30.36 O ATOM 892 CB ASP A1066 -7.828 32.392 17.965 1.00 36.85 C ATOM 893 CG ASP A1066 -8.388 31.707 19.218 1.00 41.99 C ATOM 894 OD1 ASP A1066 -9.163 32.349 19.969 1.00 44.23 O ATOM 895 OD2 ASP A1066 -8.067 30.527 19.447 1.00 47.54 O ATOM 896 H ASP A1066 -10.119 32.008 16.721 1.00 0.00 H ATOM 897 N ARG A1067 -6.978 35.019 16.770 1.00 33.26 N ATOM 898 CA ARG A1067 -6.247 35.933 15.898 1.00 32.24 C ATOM 899 C ARG A1067 -5.350 35.218 14.902 1.00 30.49 C ATOM 900 O ARG A1067 -4.865 35.821 13.933 1.00 30.79 O ATOM 901 CB ARG A1067 -5.354 36.811 16.761 1.00 32.84 C ATOM 902 CG ARG A1067 -4.343 36.000 17.562 1.00 31.30 C ATOM 903 CD ARG A1067 -2.980 36.656 17.532 1.00 31.32 C ATOM 904 NE ARG A1067 -2.478 36.893 16.177 1.00 31.00 N ATOM 905 CZ ARG A1067 -1.698 36.058 15.487 1.00 30.96 C ATOM 906 NH1 ARG A1067 -1.301 34.871 15.980 1.00 25.46 N ATOM 907 NH2 ARG A1067 -1.325 36.412 14.265 1.00 32.24 N ATOM 908 HE ARG A1067 -2.751 37.784 15.715 1.00 0.00 H ATOM 909 HH12 ARG A1067 -0.693 34.249 15.410 1.00 0.00 H ATOM 910 HH11 ARG A1067 -1.602 34.576 16.931 1.00 0.00 H ATOM 911 HH22 ARG A1067 -0.717 35.782 13.704 1.00 0.00 H ATOM 912 HH21 ARG A1067 -1.640 37.320 13.868 1.00 0.00 H ATOM 913 H ARG A1067 -6.628 34.884 17.740 1.00 0.00 H ATOM 914 N ASP A1068 -5.115 33.940 15.150 1.00 29.13 N ATOM 915 CA ASP A1068 -4.153 33.204 14.371 1.00 34.09 C ATOM 916 C ASP A1068 -4.633 33.031 12.929 1.00 34.98 C ATOM 917 O ASP A1068 -5.862 33.064 12.657 1.00 28.17 O ATOM 918 CB ASP A1068 -3.816 31.870 15.006 1.00 40.85 C ATOM 919 CG ASP A1068 -4.933 30.892 14.923 1.00 46.64 C ATOM 920 OD1 ASP A1068 -5.830 30.969 15.790 1.00 61.30 O ATOM 921 OD2 ASP A1068 -4.909 30.034 14.004 1.00 54.49 O ATOM 922 H ASP A1068 -5.631 33.462 15.916 1.00 0.00 H ATOM 923 N PRO A1069 -3.674 32.875 12.005 1.00 31.05 N ATOM 924 CA PRO A1069 -4.040 32.874 10.593 1.00 29.67 C ATOM 925 C PRO A1069 -5.001 31.756 10.154 1.00 27.13 C ATOM 926 O PRO A1069 -5.800 31.981 9.225 1.00 27.73 O ATOM 927 CB PRO A1069 -2.695 32.707 9.864 1.00 31.12 C ATOM 928 CG PRO A1069 -1.647 33.051 10.864 1.00 32.49 C ATOM 929 CD PRO A1069 -2.203 32.746 12.209 1.00 32.86 C ATOM 930 N GLY A1070 -4.908 30.576 10.751 1.00 27.88 N ATOM 931 CA GLY A1070 -5.818 29.475 10.416 1.00 29.70 C ATOM 932 C GLY A1070 -7.265 29.855 10.719 1.00 30.19 C ATOM 933 O GLY A1070 -8.155 29.597 9.901 1.00 29.23 O ATOM 934 H GLY A1070 -4.174 30.427 11.473 1.00 0.00 H ATOM 935 N ASP A1071 -7.491 30.475 11.875 1.00 29.51 N ATOM 936 CA ASP A1071 -8.825 30.936 12.265 1.00 31.82 C ATOM 937 C ASP A1071 -9.281 32.091 11.387 1.00 29.91 C ATOM 938 O ASP A1071 -10.432 32.127 10.939 1.00 29.51 O ATOM 939 CB ASP A1071 -8.873 31.369 13.747 1.00 32.28 C ATOM 940 CG ASP A1071 -8.926 30.187 14.738 1.00 36.08 C ATOM 941 OD1 ASP A1071 -8.499 29.048 14.424 1.00 38.69 O ATOM 942 OD2 ASP A1071 -9.446 30.407 15.864 1.00 36.75 O ATOM 943 H ASP A1071 -6.694 30.637 12.523 1.00 0.00 H ATOM 944 N ARG A1072 -8.386 33.026 11.104 1.00 27.12 N ATOM 945 CA ARG A1072 -8.750 34.182 10.313 1.00 28.86 C ATOM 946 C ARG A1072 -9.155 33.754 8.883 1.00 26.67 C ATOM 947 O ARG A1072 -10.075 34.334 8.314 1.00 27.50 O ATOM 948 CB ARG A1072 -7.649 35.237 10.318 1.00 30.87 C ATOM 949 CG ARG A1072 -7.665 36.067 11.602 1.00 34.07 C ATOM 950 CD ARG A1072 -6.621 37.179 11.678 1.00 39.24 C ATOM 951 NE ARG A1072 -6.857 38.031 12.860 1.00 38.91 N ATOM 952 CZ ARG A1072 -6.000 38.930 13.353 1.00 42.05 C ATOM 953 NH1 ARG A1072 -4.819 39.115 12.792 1.00 42.42 N ATOM 954 NH2 ARG A1072 -6.328 39.653 14.425 1.00 42.45 N ATOM 955 HE ARG A1072 -7.767 37.922 13.351 1.00 0.00 H ATOM 956 HH12 ARG A1072 -4.161 39.818 13.185 1.00 0.00 H ATOM 957 HH11 ARG A1072 -4.547 38.558 11.957 1.00 0.00 H ATOM 958 HH22 ARG A1072 -5.658 40.352 14.806 1.00 0.00 H ATOM 959 HH21 ARG A1072 -7.253 39.518 14.880 1.00 0.00 H ATOM 960 H ARG A1072 -7.412 32.928 11.454 1.00 0.00 H ATOM 961 N LEU A1073 -8.451 32.764 8.340 1.00 25.66 N ATOM 962 CA LEU A1073 -8.695 32.273 6.995 1.00 24.94 C ATOM 963 C LEU A1073 -10.102 31.629 6.944 1.00 27.27 C ATOM 964 O LEU A1073 -10.905 31.950 6.048 1.00 25.43 O ATOM 965 CB LEU A1073 -7.658 31.259 6.568 1.00 25.00 C ATOM 966 CG LEU A1073 -7.837 30.637 5.181 1.00 24.38 C ATOM 967 CD1 LEU A1073 -7.903 31.690 4.092 1.00 25.11 C ATOM 968 CD2 LEU A1073 -6.757 29.600 4.912 1.00 27.51 C ATOM 969 H LEU A1073 -7.695 32.324 8.902 1.00 0.00 H ATOM 970 N ILE A1074 -10.400 30.752 7.900 1.00 27.30 N ATOM 971 CA ILE A1074 -11.714 30.106 7.866 1.00 26.33 C ATOM 972 C ILE A1074 -12.832 31.130 8.112 1.00 27.38 C ATOM 973 O ILE A1074 -13.911 31.056 7.436 1.00 27.26 O ATOM 974 CB ILE A1074 -11.779 28.839 8.749 1.00 24.68 C ATOM 975 CG1 ILE A1074 -13.032 28.030 8.411 1.00 24.10 C ATOM 976 CG2 ILE A1074 -11.717 29.168 10.231 1.00 23.90 C ATOM 977 CD1 ILE A1074 -13.007 26.631 8.941 1.00 22.36 C ATOM 978 H ILE A1074 -9.717 30.531 8.652 1.00 0.00 H ATOM 979 N ARG A1075 -12.622 32.099 8.998 1.00 26.98 N ATOM 980 CA ARG A1075 -13.633 33.169 9.169 1.00 29.91 C ATOM 981 C ARG A1075 -13.849 33.974 7.887 1.00 30.94 C ATOM 982 O ARG A1075 -14.980 34.330 7.548 1.00 26.27 O ATOM 983 CB ARG A1075 -13.297 34.136 10.302 1.00 29.88 C ATOM 984 CG ARG A1075 -13.290 33.489 11.680 1.00 30.50 C ATOM 985 CD ARG A1075 -13.517 34.536 12.755 1.00 32.91 C ATOM 986 NE ARG A1075 -12.491 35.573 12.798 1.00 34.66 N ATOM 987 CZ ARG A1075 -11.304 35.453 13.390 1.00 34.59 C ATOM 988 NH1 ARG A1075 -10.945 34.324 13.958 1.00 34.80 N ATOM 989 NH2 ARG A1075 -10.462 36.485 13.382 1.00 37.79 N ATOM 990 HE ARG A1075 -12.703 36.477 12.329 1.00 0.00 H ATOM 991 HH12 ARG A1075 -10.015 34.245 14.416 1.00 0.00 H ATOM 992 HH11 ARG A1075 -11.591 33.509 13.949 1.00 0.00 H ATOM 993 HH22 ARG A1075 -9.533 36.402 13.841 1.00 0.00 H ATOM 994 HH21 ARG A1075 -10.734 37.374 12.916 1.00 0.00 H ATOM 995 H ARG A1075 -11.752 32.106 9.568 1.00 0.00 H ATOM 996 N HIS A1076 -12.756 34.306 7.184 1.00 26.18 N ATOM 997 CA HIS A1076 -12.896 35.067 5.950 1.00 26.75 C ATOM 998 C HIS A1076 -13.720 34.261 4.927 1.00 23.30 C ATOM 999 O HIS A1076 -14.555 34.841 4.223 1.00 25.95 O ATOM 1000 CB HIS A1076 -11.521 35.408 5.359 1.00 25.97 C ATOM 1001 CG HIS A1076 -11.574 36.385 4.228 1.00 27.33 C ATOM 1002 ND1 HIS A1076 -11.608 35.984 2.909 1.00 30.05 N ATOM 1003 CD2 HIS A1076 -11.598 37.739 4.213 1.00 31.64 C ATOM 1004 CE1 HIS A1076 -11.662 37.051 2.128 1.00 30.74 C ATOM 1005 NE2 HIS A1076 -11.646 38.131 2.894 1.00 31.06 N ATOM 1006 H HIS A1076 -11.813 34.021 7.518 1.00 0.00 H ATOM 1007 N ARG A1077 -13.441 32.968 4.848 1.00 22.43 N ATOM 1008 CA ARG A1077 -14.090 32.075 3.879 1.00 22.99 C ATOM 1009 C ARG A1077 -15.566 31.912 4.251 1.00 25.20 C ATOM 1010 O ARG A1077 -16.422 31.910 3.373 1.00 24.20 O ATOM 1011 CB ARG A1077 -13.435 30.723 3.854 1.00 22.74 C ATOM 1012 CG ARG A1077 -12.079 30.712 3.163 1.00 23.61 C ATOM 1013 CD ARG A1077 -11.337 29.427 3.399 1.00 25.42 C ATOM 1014 NE ARG A1077 -10.216 29.336 2.480 1.00 27.51 N ATOM 1015 CZ ARG A1077 -9.340 28.349 2.436 1.00 28.84 C ATOM 1016 NH1 ARG A1077 -9.396 27.368 3.312 1.00 30.70 N ATOM 1017 NH2 ARG A1077 -8.382 28.376 1.505 1.00 34.11 N ATOM 1018 HE ARG A1077 -10.093 30.113 1.800 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -8.703 26.594 3.271 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -10.134 27.367 4.045 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -7.683 27.607 1.455 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -8.335 29.166 0.830 1.00 0.00 H ATOM 1023 H ARG A1077 -12.734 32.569 5.498 1.00 0.00 H ATOM 1024 N ALA A1078 -15.828 31.811 5.535 1.00 24.71 N ATOM 1025 CA ALA A1078 -17.221 31.717 6.057 1.00 26.24 C ATOM 1026 C ALA A1078 -18.017 32.939 5.675 1.00 26.65 C ATOM 1027 O ALA A1078 -19.172 32.813 5.212 1.00 27.40 O ATOM 1028 CB ALA A1078 -17.209 31.543 7.577 1.00 28.45 C ATOM 1029 H ALA A1078 -15.037 31.796 6.210 1.00 0.00 H ATOM 1030 N CYS A1079 -17.438 34.113 5.877 1.00 26.77 N ATOM 1031 CA CYS A1079 -18.076 35.359 5.551 1.00 27.57 C ATOM 1032 C CYS A1079 -18.255 35.505 4.046 1.00 25.99 C ATOM 1033 O CYS A1079 -19.266 36.041 3.590 1.00 25.83 O ATOM 1034 CB CYS A1079 -17.301 36.548 6.104 1.00 31.03 C ATOM 1035 SG CYS A1079 -17.456 36.660 7.908 1.00 39.53 S ATOM 1036 H CYS A1079 -16.483 34.134 6.288 1.00 0.00 H ATOM 1037 N ALA A1080 -17.289 35.004 3.282 1.00 24.32 N ATOM 1038 CA ALA A1080 -17.376 35.041 1.821 1.00 24.11 C ATOM 1039 C ALA A1080 -18.483 34.107 1.327 1.00 24.28 C ATOM 1040 O ALA A1080 -19.182 34.446 0.395 1.00 23.20 O ATOM 1041 CB ALA A1080 -16.056 34.656 1.171 1.00 25.02 C ATOM 1042 H ALA A1080 -16.454 34.577 3.732 1.00 0.00 H ATOM 1043 N LEU A1081 -18.605 32.949 1.935 1.00 23.92 N ATOM 1044 CA LEU A1081 -19.709 32.018 1.615 1.00 24.39 C ATOM 1045 C LEU A1081 -21.055 32.708 1.787 1.00 24.26 C ATOM 1046 O LEU A1081 -21.933 32.671 0.873 1.00 22.61 O ATOM 1047 CB LEU A1081 -19.644 30.785 2.520 1.00 24.44 C ATOM 1048 CG LEU A1081 -20.793 29.781 2.396 1.00 23.61 C ATOM 1049 CD1 LEU A1081 -20.751 29.116 1.036 1.00 23.39 C ATOM 1050 CD2 LEU A1081 -20.741 28.762 3.532 1.00 23.56 C ATOM 1051 H LEU A1081 -17.908 32.680 2.659 1.00 0.00 H ATOM 1052 N ARG A1082 -21.238 33.322 2.954 1.00 24.70 N ATOM 1053 CA ARG A1082 -22.484 34.024 3.287 1.00 28.10 C ATOM 1054 C ARG A1082 -22.738 35.183 2.340 1.00 27.82 C ATOM 1055 O ARG A1082 -23.814 35.301 1.751 1.00 24.46 O ATOM 1056 CB ARG A1082 -22.423 34.532 4.712 1.00 29.83 C ATOM 1057 CG ARG A1082 -23.693 35.210 5.166 1.00 34.72 C ATOM 1058 CD ARG A1082 -23.689 35.405 6.666 1.00 42.47 C ATOM 1059 NE ARG A1082 -24.921 36.068 7.091 1.00 49.05 N ATOM 1060 CZ ARG A1082 -25.097 37.386 7.176 1.00 57.06 C ATOM 1061 NH1 ARG A1082 -24.105 38.236 6.891 1.00 60.15 N ATOM 1062 NH2 ARG A1082 -26.284 37.852 7.559 1.00 58.19 N ATOM 1063 HE ARG A1082 -25.726 35.461 7.348 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -24.262 39.262 6.963 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -23.176 37.872 6.597 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -26.441 38.877 7.632 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -27.054 37.191 7.786 1.00 0.00 H ATOM 1068 H ARG A1082 -20.470 33.304 3.655 1.00 0.00 H ATOM 1069 N ASP A1083 -21.718 36.012 2.116 1.00 24.70 N ATOM 1070 CA ASP A1083 -21.842 37.120 1.180 1.00 25.06 C ATOM 1071 C ASP A1083 -22.164 36.675 -0.241 1.00 22.47 C ATOM 1072 O ASP A1083 -22.971 37.333 -0.916 1.00 24.12 O ATOM 1073 CB ASP A1083 -20.575 37.965 1.151 1.00 28.12 C ATOM 1074 CG ASP A1083 -20.352 38.759 2.441 1.00 34.28 C ATOM 1075 OD1 ASP A1083 -21.286 38.925 3.280 1.00 36.09 O ATOM 1076 OD2 ASP A1083 -19.186 39.187 2.621 1.00 35.72 O ATOM 1077 H ASP A1083 -20.819 35.865 2.618 1.00 0.00 H ATOM 1078 N THR A1084 -21.575 35.555 -0.668 1.00 22.32 N ATOM 1079 CA THR A1084 -21.783 35.056 -2.017 1.00 22.99 C ATOM 1080 C THR A1084 -23.228 34.565 -2.177 1.00 22.81 C ATOM 1081 O THR A1084 -23.876 34.878 -3.206 1.00 20.92 O ATOM 1082 CB THR A1084 -20.804 33.965 -2.398 1.00 24.59 C ATOM 1083 OG1 THR A1084 -19.466 34.524 -2.357 1.00 24.31 O ATOM 1084 CG2 THR A1084 -21.072 33.442 -3.781 1.00 25.52 C ATOM 1085 HG1 THR A1084 -19.274 34.851 -1.442 1.00 0.00 H ATOM 1086 H THR A1084 -20.954 35.028 -0.021 1.00 0.00 H ATOM 1087 N ALA A1085 -23.688 33.791 -1.202 1.00 22.27 N ATOM 1088 CA ALA A1085 -25.083 33.304 -1.252 1.00 22.33 C ATOM 1089 C ALA A1085 -26.065 34.475 -1.308 1.00 21.78 C ATOM 1090 O ALA A1085 -26.973 34.488 -2.152 1.00 21.18 O ATOM 1091 CB ALA A1085 -25.395 32.419 -0.075 1.00 21.66 C ATOM 1092 H ALA A1085 -23.071 33.529 -0.407 1.00 0.00 H ATOM 1093 N TYR A1086 -25.897 35.457 -0.424 1.00 21.31 N ATOM 1094 CA TYR A1086 -26.760 36.632 -0.444 1.00 23.47 C ATOM 1095 C TYR A1086 -26.698 37.423 -1.746 1.00 22.92 C ATOM 1096 O TYR A1086 -27.732 37.916 -2.213 1.00 23.34 O ATOM 1097 CB TYR A1086 -26.492 37.554 0.756 1.00 24.07 C ATOM 1098 CG TYR A1086 -27.197 37.134 2.043 1.00 25.43 C ATOM 1099 CD1 TYR A1086 -26.676 36.157 2.876 1.00 26.54 C ATOM 1100 CD2 TYR A1086 -28.378 37.767 2.458 1.00 29.43 C ATOM 1101 CE1 TYR A1086 -27.278 35.807 4.068 1.00 27.25 C ATOM 1102 CE2 TYR A1086 -28.985 37.414 3.654 1.00 29.27 C ATOM 1103 CZ TYR A1086 -28.445 36.433 4.451 1.00 27.49 C ATOM 1104 OH TYR A1086 -29.049 36.070 5.653 1.00 29.43 O ATOM 1105 HH TYR A1086 -28.520 35.353 6.084 1.00 0.00 H ATOM 1106 H TYR A1086 -25.142 35.385 0.288 1.00 0.00 H ATOM 1107 N ALA A1087 -25.503 37.551 -2.333 1.00 22.79 N ATOM 1108 CA ALA A1087 -25.338 38.270 -3.586 1.00 25.07 C ATOM 1109 C ALA A1087 -26.013 37.534 -4.753 1.00 23.37 C ATOM 1110 O ALA A1087 -26.668 38.170 -5.594 1.00 23.98 O ATOM 1111 CB ALA A1087 -23.872 38.510 -3.905 1.00 27.48 C ATOM 1112 H ALA A1087 -24.669 37.125 -1.881 1.00 0.00 H ATOM 1113 N ILE A1088 -25.903 36.210 -4.786 1.00 21.83 N ATOM 1114 CA ILE A1088 -26.563 35.434 -5.824 1.00 21.40 C ATOM 1115 C ILE A1088 -28.077 35.652 -5.712 1.00 21.89 C ATOM 1116 O ILE A1088 -28.755 35.901 -6.719 1.00 23.38 O ATOM 1117 CB ILE A1088 -26.196 33.920 -5.770 1.00 22.49 C ATOM 1118 CG1 ILE A1088 -24.745 33.727 -6.210 1.00 23.93 C ATOM 1119 CG2 ILE A1088 -27.123 33.093 -6.632 1.00 23.00 C ATOM 1120 CD1 ILE A1088 -24.194 32.368 -5.956 1.00 24.41 C ATOM 1121 H ILE A1088 -25.338 35.723 -4.061 1.00 0.00 H ATOM 1122 N ILE A1089 -28.606 35.529 -4.507 1.00 22.81 N ATOM 1123 CA ILE A1089 -30.046 35.670 -4.272 1.00 24.56 C ATOM 1124 C ILE A1089 -30.504 37.074 -4.626 1.00 25.34 C ATOM 1125 O ILE A1089 -31.510 37.263 -5.288 1.00 25.68 O ATOM 1126 CB ILE A1089 -30.414 35.243 -2.824 1.00 24.74 C ATOM 1127 CG1 ILE A1089 -30.625 33.732 -2.819 1.00 25.19 C ATOM 1128 CG2 ILE A1089 -31.636 36.001 -2.267 1.00 24.50 C ATOM 1129 CD1 ILE A1089 -30.187 33.027 -1.559 1.00 27.40 C ATOM 1130 H ILE A1089 -27.981 35.326 -3.701 1.00 0.00 H ATOM 1131 N LYS A1090 -29.733 38.072 -4.226 1.00 26.00 N ATOM 1132 CA LYS A1090 -30.097 39.451 -4.568 1.00 28.45 C ATOM 1133 C LYS A1090 -30.183 39.681 -6.088 1.00 27.40 C ATOM 1134 O LYS A1090 -31.125 40.336 -6.577 1.00 29.64 O ATOM 1135 CB LYS A1090 -29.109 40.442 -3.949 1.00 32.69 C ATOM 1136 CG LYS A1090 -29.402 41.889 -4.333 1.00 39.02 C ATOM 1137 CD LYS A1090 -28.444 42.846 -3.665 1.00 46.51 C ATOM 1138 CE LYS A1090 -28.786 44.287 -4.015 1.00 53.82 C ATOM 1139 NZ LYS A1090 -27.688 45.166 -3.526 1.00 60.80 N ATOM 1140 HZ1 LYS A1090 -27.596 45.063 -2.495 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -26.796 44.891 -3.984 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -27.908 46.156 -3.758 1.00 0.00 H ATOM 1143 H LYS A1090 -28.874 37.880 -3.672 1.00 0.00 H ATOM 1144 N GLU A1091 -29.232 39.154 -6.847 1.00 25.50 N ATOM 1145 CA GLU A1091 -29.231 39.308 -8.295 1.00 26.29 C ATOM 1146 C GLU A1091 -30.218 38.424 -9.036 1.00 25.66 C ATOM 1147 O GLU A1091 -30.673 38.797 -10.131 1.00 27.21 O ATOM 1148 CB GLU A1091 -27.867 39.007 -8.892 1.00 29.94 C ATOM 1149 CG GLU A1091 -26.771 39.984 -8.520 1.00 34.33 C ATOM 1150 CD GLU A1091 -25.394 39.424 -8.834 1.00 38.26 C ATOM 1151 OE1 GLU A1091 -25.190 38.933 -9.965 1.00 39.44 O ATOM 1152 OE2 GLU A1091 -24.516 39.480 -7.953 1.00 42.71 O ATOM 1153 H GLU A1091 -28.465 38.616 -6.395 1.00 0.00 H ATOM 1154 N GLU A1092 -30.536 37.257 -8.497 1.00 23.56 N ATOM 1155 CA GLU A1092 -31.248 36.253 -9.292 1.00 22.18 C ATOM 1156 C GLU A1092 -32.641 35.820 -8.780 1.00 23.93 C ATOM 1157 O GLU A1092 -33.357 35.185 -9.519 1.00 25.70 O ATOM 1158 CB GLU A1092 -30.379 34.992 -9.455 1.00 23.89 C ATOM 1159 CG GLU A1092 -29.005 35.310 -10.028 1.00 24.11 C ATOM 1160 CD GLU A1092 -28.080 34.107 -10.118 1.00 26.34 C ATOM 1161 OE1 GLU A1092 -28.562 32.963 -10.144 1.00 25.74 O ATOM 1162 OE2 GLU A1092 -26.850 34.316 -10.170 1.00 27.25 O ATOM 1163 H GLU A1092 -30.280 37.053 -7.510 1.00 0.00 H ATOM 1164 N LEU A1093 -32.993 36.125 -7.545 1.00 24.57 N ATOM 1165 CA LEU A1093 -34.314 35.754 -7.009 1.00 26.47 C ATOM 1166 C LEU A1093 -35.271 36.923 -7.201 1.00 26.89 C ATOM 1167 O LEU A1093 -35.036 38.009 -6.703 1.00 29.29 O ATOM 1168 CB LEU A1093 -34.201 35.439 -5.530 1.00 28.10 C ATOM 1169 CG LEU A1093 -35.532 35.211 -4.791 1.00 31.11 C ATOM 1170 CD1 LEU A1093 -36.031 33.877 -5.240 1.00 30.97 C ATOM 1171 CD2 LEU A1093 -35.300 35.279 -3.297 1.00 33.57 C ATOM 1172 H LEU A1093 -32.323 36.638 -6.937 1.00 0.00 H ATOM 1173 N ASP A1094 -36.368 36.700 -7.918 1.00 27.14 N ATOM 1174 CA ASP A1094 -37.423 37.717 -7.993 1.00 27.35 C ATOM 1175 C ASP A1094 -38.133 37.865 -6.659 1.00 25.62 C ATOM 1176 O ASP A1094 -38.563 36.886 -6.079 1.00 25.46 O ATOM 1177 CB ASP A1094 -38.399 37.304 -9.075 1.00 28.86 C ATOM 1178 CG ASP A1094 -39.319 38.415 -9.455 1.00 32.80 C ATOM 1179 OD1 ASP A1094 -39.929 39.052 -8.569 1.00 35.75 O ATOM 1180 OD2 ASP A1094 -39.439 38.652 -10.663 1.00 35.21 O ATOM 1181 H ASP A1094 -36.479 35.801 -8.428 1.00 0.00 H ATOM 1182 N GLU A1095 -38.221 39.091 -6.158 1.00 26.28 N ATOM 1183 CA GLU A1095 -38.836 39.364 -4.852 1.00 29.14 C ATOM 1184 C GLU A1095 -40.299 38.899 -4.767 1.00 25.07 C ATOM 1185 O GLU A1095 -40.747 38.481 -3.706 1.00 26.02 O ATOM 1186 CB GLU A1095 -38.718 40.851 -4.477 1.00 32.41 C ATOM 1187 CG GLU A1095 -39.424 41.820 -5.400 1.00 36.10 C ATOM 1188 CD GLU A1095 -39.210 43.277 -5.019 1.00 41.68 C ATOM 1189 OE1 GLU A1095 -38.619 43.560 -3.950 1.00 45.14 O ATOM 1190 OE2 GLU A1095 -39.644 44.144 -5.802 1.00 45.17 O ATOM 1191 H GLU A1095 -37.841 39.887 -6.710 1.00 0.00 H ATOM 1192 N ASP A1096 -41.000 38.937 -5.891 1.00 27.42 N ATOM 1193 CA ASP A1096 -42.392 38.457 -5.943 1.00 26.63 C ATOM 1194 C ASP A1096 -42.462 36.959 -5.837 1.00 24.76 C ATOM 1195 O ASP A1096 -43.433 36.421 -5.349 1.00 24.25 O ATOM 1196 CB ASP A1096 -43.112 38.917 -7.218 1.00 28.82 C ATOM 1197 CG ASP A1096 -43.298 40.424 -7.283 1.00 32.70 C ATOM 1198 OD1 ASP A1096 -43.322 41.082 -6.234 1.00 35.34 O ATOM 1199 OD2 ASP A1096 -43.368 40.940 -8.408 1.00 37.57 O ATOM 1200 H ASP A1096 -40.558 39.313 -6.754 1.00 0.00 H ATOM 1201 N PHE A1097 -41.421 36.254 -6.285 1.00 22.69 N ATOM 1202 CA PHE A1097 -41.390 34.812 -6.130 1.00 23.08 C ATOM 1203 C PHE A1097 -41.206 34.464 -4.658 1.00 23.37 C ATOM 1204 O PHE A1097 -41.911 33.570 -4.126 1.00 24.23 O ATOM 1205 CB PHE A1097 -40.282 34.174 -7.001 1.00 22.07 C ATOM 1206 CG PHE A1097 -40.244 32.667 -6.905 1.00 22.45 C ATOM 1207 CD1 PHE A1097 -41.109 31.885 -7.650 1.00 24.32 C ATOM 1208 CD2 PHE A1097 -39.421 32.046 -5.980 1.00 22.87 C ATOM 1209 CE1 PHE A1097 -41.113 30.509 -7.510 1.00 25.25 C ATOM 1210 CE2 PHE A1097 -39.429 30.673 -5.824 1.00 22.85 C ATOM 1211 CZ PHE A1097 -40.265 29.902 -6.596 1.00 24.36 C ATOM 1212 H PHE A1097 -40.627 36.741 -6.748 1.00 0.00 H ATOM 1213 N GLU A1098 -40.264 35.134 -3.997 1.00 23.75 N ATOM 1214 CA GLU A1098 -40.061 34.914 -2.581 1.00 25.98 C ATOM 1215 C GLU A1098 -41.330 35.262 -1.797 1.00 26.59 C ATOM 1216 O GLU A1098 -41.691 34.541 -0.889 1.00 26.57 O ATOM 1217 CB GLU A1098 -38.879 35.706 -2.062 1.00 29.45 C ATOM 1218 CG GLU A1098 -38.664 35.698 -0.562 1.00 29.67 C ATOM 1219 CD GLU A1098 -38.439 34.329 0.091 1.00 33.01 C ATOM 1220 OE1 GLU A1098 -38.365 33.289 -0.627 1.00 33.77 O ATOM 1221 OE2 GLU A1098 -38.309 34.299 1.372 1.00 35.81 O ATOM 1222 H GLU A1098 -39.669 35.821 -4.503 1.00 0.00 H ATOM 1223 N GLN A1099 -41.983 36.361 -2.168 1.00 26.02 N ATOM 1224 CA GLN A1099 -43.202 36.800 -1.463 1.00 27.65 C ATOM 1225 C GLN A1099 -44.298 35.736 -1.608 1.00 26.61 C ATOM 1226 O GLN A1099 -44.981 35.423 -0.638 1.00 27.27 O ATOM 1227 CB GLN A1099 -43.665 38.160 -1.983 1.00 28.36 C ATOM 1228 CG GLN A1099 -44.854 38.750 -1.225 1.00 31.70 C ATOM 1229 CD GLN A1099 -44.512 39.060 0.211 1.00 36.37 C ATOM 1230 OE1 GLN A1099 -43.410 39.510 0.502 1.00 40.56 O ATOM 1231 NE2 GLN A1099 -45.440 38.819 1.113 1.00 36.02 N ATOM 1232 HE22 GLN A1099 -46.362 38.437 0.821 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -45.251 39.011 2.118 1.00 0.00 H ATOM 1234 H GLN A1099 -41.627 36.920 -2.969 1.00 0.00 H ATOM 1235 N LEU A1100 -44.457 35.154 -2.801 1.00 24.60 N ATOM 1236 CA LEU A1100 -45.409 34.048 -3.003 1.00 26.41 C ATOM 1237 C LEU A1100 -45.121 32.837 -2.116 1.00 28.79 C ATOM 1238 O LEU A1100 -46.023 32.234 -1.501 1.00 25.67 O ATOM 1239 CB LEU A1100 -45.481 33.641 -4.478 1.00 24.95 C ATOM 1240 CG LEU A1100 -46.327 32.436 -4.868 1.00 27.93 C ATOM 1241 CD1 LEU A1100 -47.775 32.658 -4.431 1.00 30.57 C ATOM 1242 CD2 LEU A1100 -46.213 32.164 -6.346 1.00 29.18 C ATOM 1243 H LEU A1100 -43.894 35.491 -3.608 1.00 0.00 H ATOM 1244 N CYS A1101 -43.855 32.419 -2.070 1.00 26.45 N ATOM 1245 CA CYS A1101 -43.480 31.311 -1.206 1.00 26.78 C ATOM 1246 C CYS A1101 -43.860 31.582 0.260 1.00 25.97 C ATOM 1247 O CYS A1101 -44.394 30.697 0.936 1.00 29.04 O ATOM 1248 CB CYS A1101 -41.966 31.018 -1.323 1.00 25.50 C ATOM 1249 SG CYS A1101 -41.438 30.286 -2.860 1.00 25.03 S ATOM 1250 H CYS A1101 -43.133 32.887 -2.654 1.00 0.00 H ATOM 1251 N GLU A1102 -43.633 32.804 0.721 1.00 26.74 N ATOM 1252 CA GLU A1102 -43.869 33.196 2.095 1.00 30.82 C ATOM 1253 C GLU A1102 -45.377 33.156 2.380 1.00 33.72 C ATOM 1254 O GLU A1102 -45.836 32.620 3.410 1.00 36.56 O ATOM 1255 CB GLU A1102 -43.284 34.586 2.358 1.00 30.56 C ATOM 1256 CG GLU A1102 -41.743 34.571 2.442 1.00 37.56 C ATOM 1257 CD GLU A1102 -41.083 35.896 2.795 1.00 45.21 C ATOM 1258 OE1 GLU A1102 -41.805 36.813 3.245 1.00 50.95 O ATOM 1259 OE2 GLU A1102 -39.816 36.024 2.637 1.00 44.95 O ATOM 1260 H GLU A1102 -43.266 33.519 0.061 1.00 0.00 H ATOM 1261 N GLU A1103 -46.151 33.661 1.431 1.00 33.34 N ATOM 1262 CA GLU A1103 -47.612 33.607 1.573 1.00 33.58 C ATOM 1263 C GLU A1103 -48.185 32.180 1.523 1.00 34.61 C ATOM 1264 O GLU A1103 -49.072 31.867 2.314 1.00 38.60 O ATOM 1265 CB GLU A1103 -48.286 34.614 0.610 1.00 32.21 C ATOM 1266 CG GLU A1103 -47.968 36.051 1.013 1.00 31.35 C ATOM 1267 CD GLU A1103 -48.566 37.146 0.127 1.00 31.85 C ATOM 1268 OE1 GLU A1103 -49.398 36.850 -0.748 1.00 32.32 O ATOM 1269 OE2 GLU A1103 -48.188 38.331 0.299 1.00 33.14 O ATOM 1270 H GLU A1103 -45.725 34.095 0.587 1.00 0.00 H ATOM 1271 N ILE A1104 -47.666 31.280 0.695 1.00 33.04 N ATOM 1272 CA ILE A1104 -48.095 29.898 0.759 1.00 35.46 C ATOM 1273 C ILE A1104 -47.734 29.297 2.128 1.00 40.05 C ATOM 1274 O ILE A1104 -48.595 28.725 2.803 1.00 40.64 O ATOM 1275 CB ILE A1104 -47.525 29.048 -0.378 1.00 35.38 C ATOM 1276 CG1 ILE A1104 -47.910 29.643 -1.747 1.00 33.19 C ATOM 1277 CG2 ILE A1104 -48.021 27.608 -0.276 1.00 35.12 C ATOM 1278 CD1 ILE A1104 -47.127 29.066 -2.892 1.00 33.79 C ATOM 1279 H ILE A1104 -46.949 31.569 -0.001 1.00 0.00 H ATOM 1280 N GLN A1105 -46.477 29.460 2.551 1.00 39.27 N ATOM 1281 CA GLN A1105 -45.999 28.942 3.849 1.00 43.31 C ATOM 1282 C GLN A1105 -46.902 29.400 5.005 1.00 43.16 C ATOM 1283 O GLN A1105 -47.327 28.573 5.812 1.00 44.39 O ATOM 1284 CB GLN A1105 -44.536 29.347 4.137 1.00 41.45 C ATOM 1285 CG GLN A1105 -43.974 28.823 5.477 1.00 44.88 C ATOM 1286 CD GLN A1105 -42.596 29.395 5.826 1.00 51.31 C ATOM 1287 OE1 GLN A1105 -42.401 30.614 5.837 1.00 59.74 O ATOM 1288 NE2 GLN A1105 -41.629 28.515 6.124 1.00 52.76 N ATOM 1289 HE22 GLN A1105 -41.830 27.495 6.104 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -40.678 28.853 6.375 1.00 0.00 H ATOM 1291 H GLN A1105 -45.808 29.972 1.941 1.00 0.00 H ATOM 1292 N GLU A1106 -47.169 30.701 5.079 1.00 44.88 N ATOM 1293 CA GLU A1106 -47.986 31.290 6.155 1.00 51.90 C ATOM 1294 C GLU A1106 -49.427 30.776 6.182 1.00 53.14 C ATOM 1295 O GLU A1106 -50.062 30.808 7.230 1.00 57.95 O ATOM 1296 CB GLU A1106 -48.044 32.812 6.036 1.00 55.64 C ATOM 1297 CG GLU A1106 -46.770 33.553 6.401 1.00 64.30 C ATOM 1298 CD GLU A1106 -46.829 35.025 6.008 1.00 71.12 C ATOM 1299 OE1 GLU A1106 -47.880 35.656 6.238 1.00 78.16 O ATOM 1300 OE2 GLU A1106 -45.832 35.561 5.474 1.00 77.51 O ATOM 1301 H GLU A1106 -46.784 31.330 4.346 1.00 0.00 H ATOM 1302 N SER A1107 -49.944 30.337 5.037 1.00 55.67 N ATOM 1303 CA SER A1107 -51.301 29.775 4.943 1.00 59.18 C ATOM 1304 C SER A1107 -51.361 28.278 5.315 1.00 64.26 C ATOM 1305 O SER A1107 -52.448 27.713 5.389 1.00 67.57 O ATOM 1306 CB SER A1107 -51.845 29.938 3.517 1.00 57.97 C ATOM 1307 OG SER A1107 -51.468 28.824 2.706 1.00 53.08 O ATOM 1308 HG SER A1107 -51.827 28.946 1.792 1.00 0.00 H ATOM 1309 H SER A1107 -49.366 30.393 4.174 1.00 0.00 H ATOM 1310 N ARG A1108 -50.206 27.639 5.507 1.00 65.87 N ATOM 1311 CA ARG A1108 -50.141 26.216 5.879 1.00 72.28 C ATOM 1312 C ARG A1108 -50.507 26.024 7.355 1.00 80.94 C ATOM 1313 O ARG A1108 -50.166 26.848 8.216 1.00 81.85 O ATOM 1314 CB ARG A1108 -48.733 25.651 5.638 1.00 71.99 C ATOM 1315 CG ARG A1108 -48.246 25.758 4.199 1.00 71.94 C ATOM 1316 CD ARG A1108 -48.338 24.450 3.436 1.00 72.02 C ATOM 1317 NE ARG A1108 -48.863 24.633 2.079 1.00 70.29 N ATOM 1318 CZ ARG A1108 -48.570 23.860 1.030 1.00 69.12 C ATOM 1319 NH1 ARG A1108 -47.726 22.836 1.140 1.00 73.27 N ATOM 1320 NH2 ARG A1108 -49.116 24.114 -0.154 1.00 65.80 N ATOM 1321 OXT ARG A1108 -51.145 25.033 7.726 1.00 82.55 O ATOM 1322 HE ARG A1108 -49.515 25.428 1.921 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -47.512 22.247 0.310 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -47.281 22.625 2.056 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -48.888 23.513 -0.971 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -49.771 24.914 -0.264 1.00 0.00 H ATOM 1327 H ARG A1108 -49.317 28.166 5.389 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -43.272 28.073 -9.916 1.00 56.97 O HETATM 1330 O HOH 2 -51.943 29.007 0.370 1.00 58.24 O HETATM 1331 O HOH 3 -0.948 34.124 18.253 1.00 46.79 O HETATM 1332 O HOH 4 -3.011 29.473 12.558 1.00 43.38 O HETATM 1333 O HOH 5 -25.353 36.459 -10.218 1.00 38.72 O HETATM 1334 O HOH 6 -44.409 20.344 -9.401 1.00 55.93 O HETATM 1335 O HOH 7 -9.486 28.565 17.662 1.00 53.72 O HETATM 1336 O HOH 8 -50.926 33.357 3.311 1.00 39.61 O HETATM 1337 O HOH 9 -4.930 33.766 7.559 1.00 38.18 O HETATM 1338 O HOH 10 -25.338 25.360 -10.217 1.00 44.88 O HETATM 1339 O HOH 11 -30.790 14.285 -0.725 1.00 47.13 O HETATM 1340 O HOH 12 -48.921 39.785 2.382 1.00 51.85 O HETATM 1341 O HOH 13 -30.468 29.102 -9.227 1.00 44.61 O HETATM 1342 O HOH 14 -31.162 24.444 10.883 1.00 42.53 O HETATM 1343 O HOH 15 -40.457 32.116 -11.402 1.00 31.52 O HETATM 1344 O HOH 16 -49.724 35.421 4.315 1.00 47.25 O HETATM 1345 O HOH 17 -8.168 27.647 8.060 1.00 45.63 O HETATM 1346 O HOH 18 -14.893 37.377 3.411 1.00 40.21 O HETATM 1347 O HOH 19 -30.553 41.267 -11.199 1.00 46.89 O HETATM 1348 O HOH 20 -26.675 19.901 19.887 1.00 49.60 O HETATM 1349 O HOH 21 -41.717 40.514 -10.527 1.00 47.17 O HETATM 1350 O HOH 22 -30.150 22.572 12.628 1.00 56.36 O HETATM 1351 O HOH 23 -19.229 28.621 -8.355 1.00 40.60 O HETATM 1352 O HOH 24 -11.848 33.776 1.327 1.00 32.72 O HETATM 1353 O HOH 25 -43.654 41.273 -3.514 1.00 43.83 O HETATM 1354 O HOH 26 -32.947 33.912 -11.930 1.00 43.92 O HETATM 1355 O HOH 27 -8.798 38.490 14.877 1.00 52.31 O HETATM 1356 O HOH 28 -38.048 30.018 -13.731 1.00 26.84 O HETATM 1357 O HOH 29 -9.792 25.215 -0.253 1.00 54.27 O HETATM 1358 O HOH 30 -12.790 30.521 -5.916 1.00 56.66 O HETATM 1359 O HOH 31 -31.034 22.747 -9.634 1.00 30.94 O HETATM 1360 O HOH 32 -34.181 29.939 -11.391 1.00 45.29 O HETATM 1361 O HOH 33 -16.742 38.423 1.435 1.00 55.33 O HETATM 1362 O HOH 34 -10.637 37.124 8.371 1.00 46.47 O HETATM 1363 O HOH 35 -3.445 36.207 11.494 1.00 34.20 O HETATM 1364 O HOH 36 -21.239 25.615 23.420 1.00 61.98 O HETATM 1365 O HOH 37 -31.524 20.951 10.542 1.00 41.57 O HETATM 1366 O HOH 38 -22.215 32.723 -9.561 1.00 47.71 O HETATM 1367 O HOH 39 -21.600 30.657 -9.862 1.00 45.45 O HETATM 1368 O HOH 40 -12.591 35.388 -0.777 1.00 38.91 O HETATM 1369 O HOH 41 -36.355 14.265 -2.895 1.00 46.37 O HETATM 1370 O HOH 42 -37.348 16.667 -3.685 1.00 48.79 O HETATM 1371 O HOH 43 -32.251 14.166 1.468 1.00 42.76 O HETATM 1372 O HOH 44 -8.030 24.801 4.397 1.00 63.52 O HETATM 1373 O HOH 45 -6.628 25.918 6.567 1.00 62.94 O HETATM 1374 O HOH 46 -12.775 26.377 19.840 1.00 59.09 O HETATM 1375 O HOH 47 -6.670 35.631 19.903 1.00 42.63 O HETATM 1376 O HOH 48 -10.682 39.446 11.916 1.00 62.00 O HETATM 1377 O HOH 49 -35.148 36.538 -11.976 1.00 52.59 O HETATM 1378 O HOH 50 -24.309 36.965 -12.500 1.00 65.20 O HETATM 1379 O HOH 51 -28.386 19.374 15.939 1.00 52.68 O HETATM 1380 O HOH 52 -47.531 29.502 -9.575 1.00 55.66 O HETATM 1381 O HOH 53 -28.410 22.159 -9.366 1.00 36.29 O HETATM 1382 O HOH 54 -23.402 19.685 -12.469 1.00 49.40 O HETATM 1383 O HOH 55 -26.339 21.549 25.373 1.00 67.78 O HETATM 1384 O HOH 56 -8.301 26.634 -2.025 1.00 57.39 O HETATM 1385 O HOH 57 -34.499 13.012 0.372 1.00 51.16 O HETATM 1386 O HOH 58 -14.199 37.535 -0.257 1.00 43.21 O HETATM 1387 O HOH 59 -16.435 28.463 -8.814 1.00 69.40 O HETATM 1388 O HOH 60 -4.544 36.185 9.045 1.00 41.68 O HETATM 1389 O HOH 61 -36.882 22.358 0.492 1.00 26.47 O HETATM 1390 O HOH 62 -43.156 18.114 -5.963 1.00 47.07 O HETATM 1391 O HOH 63 -21.328 37.715 5.896 1.00 49.99 O HETATM 1392 O HOH 64 -28.294 41.078 0.085 1.00 52.27 O HETATM 1393 O HOH 65 -20.424 18.317 12.424 1.00 50.39 O HETATM 1394 O HOH 66 -10.250 27.027 6.005 1.00 51.54 O HETATM 1395 O HOH 67 -13.522 21.938 -3.931 1.00 49.77 O HETATM 1396 O HOH 68 -24.655 16.890 -1.516 1.00 58.79 O HETATM 1397 O HOH 69 -27.215 27.080 16.828 1.00 50.58 O HETATM 1398 O HOH 70 -24.834 42.213 -3.524 1.00 55.49 O HETATM 1399 O HOH 71 -25.871 40.893 -5.738 1.00 51.87 O HETATM 1400 O HOH 72 -23.735 20.341 -1.625 1.00 48.99 O HETATM 1401 O HOH 73 -15.491 35.022 15.997 1.00 47.37 O HETATM 1402 O HOH 74 -19.218 26.124 9.636 1.00 30.07 O HETATM 1403 O HOH 75 -15.493 23.587 -2.713 1.00 31.57 O HETATM 1404 O HOH 76 -17.573 25.649 11.754 1.00 29.10 O HETATM 1405 O HOH 77 -39.988 22.202 -0.584 1.00 30.99 O HETATM 1406 O HOH 78 -29.062 31.180 11.490 1.00 33.60 O HETATM 1407 O HOH 79 -18.047 21.764 7.391 1.00 33.62 O HETATM 1408 O HOH 80 -12.242 25.745 2.174 1.00 31.64 O HETATM 1409 O HOH 81 -23.611 29.413 15.352 1.00 34.17 O HETATM 1410 O HOH 82 -19.687 23.832 8.129 1.00 35.77 O HETATM 1411 O HOH 83 -24.568 25.992 16.384 1.00 31.29 O HETATM 1412 O HOH 84 -21.029 23.364 11.124 1.00 31.40 O HETATM 1413 O HOH 85 -23.696 39.952 -0.244 1.00 33.05 O HETATM 1414 O HOH 86 -22.952 19.621 9.518 1.00 36.41 O HETATM 1415 O HOH 87 -19.395 30.621 -5.548 1.00 37.78 O HETATM 1416 O HOH 88 -13.189 27.576 -7.450 1.00 39.93 O HETATM 1417 O HOH 89 -26.775 32.066 12.449 1.00 38.77 O HETATM 1418 O HOH 90 -29.995 38.832 -0.589 1.00 41.07 O HETATM 1419 O HOH 91 -20.538 20.386 10.480 1.00 38.06 O HETATM 1420 O HOH 92 -42.682 21.436 -0.027 1.00 41.54 O HETATM 1421 O HOH 93 -43.496 20.548 -4.184 1.00 40.21 O HETATM 1422 O HOH 94 -17.920 35.185 -4.429 1.00 41.56 O HETATM 1423 O HOH 95 -25.826 41.050 -1.321 1.00 41.85 O HETATM 1424 O HOH 96 -37.133 41.298 -7.732 1.00 43.86 O HETATM 1425 O HOH 97 -33.898 27.008 8.228 1.00 41.76 O HETATM 1426 O HOH 98 -39.726 32.454 5.913 1.00 43.56 O HETATM 1427 O HOH 99 -21.298 19.831 -0.748 1.00 42.43 O HETATM 1428 O HOH 100 -23.387 26.394 18.965 1.00 46.57 O HETATM 1429 O HOH 101 -27.707 21.001 13.001 1.00 44.76 O HETATM 1430 O HOH 102 -26.246 15.722 0.434 1.00 44.51 O HETATM 1431 O HOH 103 -32.850 34.428 7.017 1.00 50.06 O HETATM 1432 O HOH 104 -20.775 32.988 15.647 1.00 52.06 O HETATM 1433 O HOH 105 -30.021 33.686 11.012 1.00 49.07 O HETATM 1434 O HOH 106 -16.285 31.799 20.320 1.00 49.97 O HETATM 1435 O HOH 107 -19.638 18.753 -2.511 1.00 52.89 O HETATM 1436 O HOH 108 -32.057 36.199 5.610 1.00 53.23 O HETATM 1437 O HOH 109 -17.666 20.155 -3.982 1.00 49.13 O HETATM 1438 O HOH 110 -39.843 39.441 -1.293 1.00 50.80 O HETATM 1439 O HOH 111 -19.912 38.531 -2.932 1.00 50.79 O HETATM 1440 O HOH 112 -34.126 42.617 -4.514 1.00 68.91 O HETATM 1441 O HOH 113 -21.198 40.572 -1.612 1.00 59.80 O HETATM 1442 O HOH 114 -33.590 39.831 -5.329 1.00 49.75 O HETATM 1443 O HOH 115 -39.820 24.613 -1.359 1.00 50.68 O HETATM 1444 O HOH 116 -28.257 14.753 -0.593 1.00 63.06 O HETATM 1445 O HOH 117 -43.889 32.592 5.517 1.00 59.09 O HETATM 1446 O HOH 118 -24.162 20.705 -4.612 1.00 50.57 O HETATM 1447 O HOH 119 -32.972 37.898 4.049 1.00 70.21 O HETATM 1448 O HOH 120 -40.863 38.199 0.812 1.00 54.34 O HETATM 1449 O HOH 121 -36.003 28.854 9.340 1.00 67.18 O HETATM 1450 O HOH 122 -20.077 37.082 8.470 1.00 72.37 O HETATM 1451 O HOH 123 -17.260 14.699 7.133 1.00 53.27 O HETATM 1452 O HOH 124 -28.064 42.234 -10.595 1.00 76.23 O HETATM 1453 O HOH 125 -31.479 27.612 10.774 1.00 59.34 O HETATM 1454 O HOH 126 -41.784 25.865 6.841 1.00 65.62 O HETATM 1455 O HOH 127 -10.605 26.296 17.659 1.00 63.21 O HETATM 1456 O HOH 128 -41.654 41.729 -2.235 1.00 63.21 O HETATM 1457 O HOH 129 -26.663 18.903 9.883 1.00 64.78 O HETATM 1458 O HOH 130 -9.735 24.200 1.885 1.00 51.17 O HETATM 1459 O HOH 131 -24.551 15.280 4.992 1.00 53.66 O HETATM 1460 O HOH 132 -9.900 26.843 15.381 1.00 60.69 O HETATM 1461 O HOH 133 -20.487 32.224 -7.354 1.00 49.05 O HETATM 1462 O HOH 134 -28.218 27.224 19.364 1.00 56.14 O HETATM 1463 O HOH 135 -14.215 22.417 -6.556 1.00 66.29 O HETATM 1464 O HOH 136 -22.411 16.860 12.873 1.00 60.05 O HETATM 1465 O HOH 137 -13.317 37.917 8.141 1.00 58.99 O HETATM 1466 O HOH 138 -40.139 41.942 -8.599 1.00 64.90 O HETATM 1467 O HOH 139 -16.837 16.188 16.745 1.00 60.57 O HETATM 1468 O HOH 140 -40.442 18.470 5.814 1.00 63.39 O HETATM 1469 O HOH 141 -24.094 34.420 9.949 1.00 44.32 O HETATM 1470 O HOH 142 -22.300 36.031 10.527 1.00 62.30 O HETATM 1471 O HOH 143 -35.106 24.403 8.219 1.00 53.26 O HETATM 1472 O HOH 144 -21.922 19.693 -5.677 1.00 64.90 O HETATM 1473 O HOH 145 -36.920 38.986 -1.925 1.00 52.24 O HETATM 1474 O HOH 146 -24.290 17.469 10.599 1.00 58.86 O HETATM 1475 CAP UNN A 147 -11.922 23.662 12.564 1.00 0.01 C HETATM 1476 CAK UNN A 147 -13.159 23.881 11.707 1.00 0.15 C HETATM 1477 CAJ UNN A 147 -13.361 23.360 10.396 1.00 0.02 C HETATM 1478 CAB UNN A 147 -12.420 22.513 9.578 1.00 -0.05 C HETATM 1479 CAC UNN A 147 -12.525 21.127 9.497 1.00 -0.05 C HETATM 1480 CAD UNN A 147 -11.617 20.410 8.708 1.00 0.06 C HETATM 1481 NAQ UNN A 147 -11.666 18.993 8.590 1.00 -0.19 N HETATM 1482 SAR UNN A 147 -13.034 18.151 8.180 1.00 0.09 S HETATM 1483 CAS UNN A 147 -13.554 18.506 6.512 1.00 0.11 C HETATM 1484 CAT UNN A 147 -12.708 18.205 5.441 1.00 -0.03 C HETATM 1485 CAU UNN A 147 -13.101 18.469 4.130 1.00 -0.06 C HETATM 1486 CAV UNN A 147 -14.342 19.033 3.885 1.00 -0.06 C HETATM 1487 CAW UNN A 147 -15.193 19.338 4.952 1.00 -0.06 C HETATM 1488 CAX UNN A 147 -14.804 19.074 6.264 1.00 -0.03 C HETATM 1489 H UNN A 147 -15.469 19.309 7.087 1.00 0.06 H HETATM 1490 H UNN A 147 -16.162 19.783 4.757 1.00 0.06 H HETATM 1491 H UNN A 147 -14.653 19.238 2.867 1.00 0.06 H HETATM 1492 H UNN A 147 -12.438 18.234 3.305 1.00 0.06 H HETATM 1493 H UNN A 147 -11.737 17.762 5.632 1.00 0.06 H HETATM 1494 OAY UNN A 147 -14.087 18.358 9.136 1.00 -0.14 O HETATM 1495 OAZ UNN A 147 -12.828 16.734 8.364 1.00 -0.14 O HETATM 1496 H UNN A 147 -10.828 18.476 8.764 1.00 0.22 H HETATM 1497 CAE UNN A 147 -10.621 21.084 8.018 1.00 -0.04 C HETATM 1498 CAF UNN A 147 -10.518 22.469 8.109 1.00 -0.01 C HETATM 1499 CAG UNN A 147 -9.454 23.203 7.339 1.00 0.06 C HETATM 1500 OAH UNN A 147 -9.311 24.455 7.406 1.00 -0.56 O HETATM 1501 OAI UNN A 147 -8.736 22.540 6.564 1.00 -0.56 O HETATM 1502 CAA UNN A 147 -11.416 23.177 8.884 1.00 -0.07 C HETATM 1503 H UNN A 147 -11.337 24.256 8.951 1.00 0.04 H HETATM 1504 H UNN A 147 -9.919 20.530 7.405 1.00 0.05 H HETATM 1505 H UNN A 147 -13.305 20.606 10.041 1.00 0.04 H HETATM 1506 CAN UNN A 147 -14.663 23.884 10.034 1.00 0.02 C HETATM 1507 CAO UNN A 147 -15.403 23.659 8.735 1.00 -0.03 C HETATM 1508 H UNN A 147 -16.366 24.189 8.765 1.00 0.04 H HETATM 1509 H UNN A 147 -15.581 22.582 8.596 1.00 0.04 H HETATM 1510 H UNN A 147 -14.800 24.042 7.898 1.00 0.04 H HETATM 1511 NAM UNN A 147 -15.102 24.609 11.047 1.00 -0.17 N HETATM 1512 OAL UNN A 147 -14.233 24.602 12.025 1.00 -0.17 O HETATM 1513 H UNN A 147 -12.046 24.182 13.526 1.00 0.05 H HETATM 1514 H UNN A 147 -11.039 24.061 12.043 1.00 0.05 H HETATM 1515 H UNN A 147 -11.787 22.585 12.744 1.00 0.05 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1475 1476 1513 1514 1515 CONECT 1476 1475 1477 1512 CONECT 1477 1476 1478 1506 CONECT 1478 1477 1479 1502 CONECT 1479 1478 1480 1505 CONECT 1480 1479 1481 1497 CONECT 1481 1480 1482 1496 CONECT 1482 1481 1483 1494 1495 CONECT 1483 1482 1484 1488 CONECT 1484 1483 1485 1493 CONECT 1485 1484 1486 1492 CONECT 1486 1485 1487 1491 CONECT 1487 1486 1488 1490 CONECT 1488 1483 1487 1489 CONECT 1489 1488 CONECT 1490 1487 CONECT 1491 1486 CONECT 1492 1485 CONECT 1493 1484 CONECT 1494 1482 CONECT 1495 1482 CONECT 1496 1481 CONECT 1497 1480 1498 1504 CONECT 1498 1497 1499 1502 CONECT 1499 1498 1500 1501 CONECT 1500 1499 CONECT 1501 1499 CONECT 1502 1478 1498 1503 CONECT 1503 1502 CONECT 1504 1497 CONECT 1505 1479 CONECT 1506 1477 1507 1511 CONECT 1507 1506 1508 1509 1510 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1507 CONECT 1511 1506 1512 CONECT 1512 1476 1511 CONECT 1513 1475 CONECT 1514 1475 CONECT 1515 1475 MASTER 0 0 0 0 0 0 0 0 1514 1 45 10 END
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Pocket-Ligand
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Related entries of code: 4tu4
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6s57
RCSB PDB
PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
RCSB PDB
PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
RCSB PDB
PDBbind
130aa, >6S55_1|Chain... at 100%
4qsu
RCSB PDB
PDBbind
130aa, >4QSU_1|Chain... *
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
4tt2
RCSB PDB
PDBbind
130aa, >4TT2_1|Chain... at 100%
4tte
RCSB PDB
PDBbind
130aa, >4TTE_1|Chain... at 100%
4tyl
RCSB PDB
PDBbind
130aa, >4TYL_1|Chain... at 100%
4tz2
RCSB PDB
PDBbind
130aa, >4TZ2_1|Chain... at 100%
4tz8
RCSB PDB
PDBbind
130aa, >4TZ8_1|Chain... at 100%
5a5o
RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
5a5r
RCSB PDB
PDBbind
130aa, >5A5R_1|Chain... at 100%
5a81
RCSB PDB
PDBbind
130aa, >5A81_1|Chain... at 100%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
5lj0
RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4tu4
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2A bromodomain
Ligand Name
37N
EC.Number
E.C.3.6.1.3
Resolution
1.73(Å)
Affinity (Kd/Ki/IC50)
Kd=175uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochem.J.Vol.466: pp.337-346
Ligand Properties
Formula
C
1
8
H
1
6
N
2
O
5
S
Molecular Weight
372.395
Exact Mass
372.078
No. of atoms
42
No. of bonds
44
Polar Surface Area
117.88
LOGP Value
3.93 (
Computed with XLOGP3
)
4.61 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 4
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 3
Canonical SMILES
OC(=O)c1cc(cc(c1)c1c(C)noc1C)NS(=O)(=O)c1ccccc1
InChI String
InChI=1S/C18H16N2O5S/c1-11-17(12(2)25-19-11)13-8-14(18(21)22)10-15(9-13)20-26(23,24)16-6-4-3-5-7-16/h3-10,20H,1-2H3,(H,21,22)
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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