Browse entries in the PDBbind-CN Database
HEADER 4TYL_COMPLEX COMPND 4TYL_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 382 27 ATOM 1 N SER A 979 52.361 -22.804 -3.045 1.00 53.78 N ATOM 2 CA SER A 979 52.786 -22.661 -4.431 1.00 57.66 C ATOM 3 C SER A 979 51.609 -22.244 -5.336 1.00 57.60 C ATOM 4 O SER A 979 50.438 -22.297 -4.909 1.00 49.97 O ATOM 5 CB SER A 979 53.396 -23.967 -4.926 1.00 57.26 C ATOM 6 OG SER A 979 52.377 -24.928 -5.111 1.00 53.55 O ATOM 7 HG SER A 979 52.778 -25.774 -5.432 1.00 0.00 H ATOM 8 HN3 SER A 979 51.621 -23.532 -2.984 1.00 0.00 H ATOM 9 HN2 SER A 979 51.985 -21.896 -2.704 1.00 0.00 H ATOM 10 HN1 SER A 979 53.175 -23.085 -2.461 1.00 0.00 H ATOM 11 N MET A 980 51.909 -21.821 -6.574 1.00 61.45 N ATOM 12 CA MET A 980 50.830 -21.500 -7.532 1.00 59.07 C ATOM 13 C MET A 980 50.074 -22.754 -7.932 1.00 52.31 C ATOM 14 O MET A 980 48.864 -22.695 -8.115 1.00 52.12 O ATOM 15 CB MET A 980 51.356 -20.808 -8.795 1.00 62.36 C ATOM 16 H MET A 980 52.904 -21.719 -6.860 1.00 0.00 H ATOM 17 N GLN A 981 50.762 -23.886 -8.071 1.00 48.00 N ATOM 18 CA GLN A 981 50.058 -25.143 -8.330 1.00 47.46 C ATOM 19 C GLN A 981 49.056 -25.452 -7.196 1.00 41.35 C ATOM 20 O GLN A 981 47.962 -25.988 -7.444 1.00 38.42 O ATOM 21 CB GLN A 981 51.037 -26.311 -8.498 1.00 53.58 C ATOM 22 CG GLN A 981 52.138 -26.080 -9.551 1.00 58.94 C ATOM 23 H GLN A 981 51.799 -23.877 -7.996 1.00 0.00 H ATOM 24 N GLU A 982 49.425 -25.129 -5.952 1.00 34.83 N ATOM 25 CA GLU A 982 48.525 -25.450 -4.835 1.00 31.77 C ATOM 26 C GLU A 982 47.354 -24.470 -4.795 1.00 29.17 C ATOM 27 O GLU A 982 46.216 -24.843 -4.508 1.00 26.63 O ATOM 28 CB GLU A 982 49.297 -25.466 -3.501 1.00 34.16 C ATOM 29 CG GLU A 982 50.209 -26.697 -3.413 1.00 37.11 C ATOM 30 CD GLU A 982 51.171 -26.670 -2.223 1.00 44.60 C ATOM 31 OE1 GLU A 982 51.265 -25.590 -1.586 1.00 47.77 O ATOM 32 OE2 GLU A 982 51.816 -27.733 -1.950 1.00 42.34 O ATOM 33 H GLU A 982 50.335 -24.658 -5.777 1.00 0.00 H ATOM 34 N GLU A 983 47.627 -23.194 -5.063 1.00 30.65 N ATOM 35 CA GLU A 983 46.515 -22.245 -5.113 1.00 31.66 C ATOM 36 C GLU A 983 45.543 -22.622 -6.253 1.00 27.57 C ATOM 37 O GLU A 983 44.337 -22.442 -6.093 1.00 26.63 O ATOM 38 CB GLU A 983 47.033 -20.809 -5.273 1.00 39.36 C ATOM 39 CG GLU A 983 47.727 -20.269 -4.004 1.00 44.29 C ATOM 40 H GLU A 983 48.604 -22.881 -5.232 1.00 0.00 H ATOM 41 N ASP A 984 46.050 -23.154 -7.372 1.00 26.74 N ATOM 42 CA ASP A 984 45.148 -23.583 -8.447 1.00 28.58 C ATOM 43 C ASP A 984 44.270 -24.747 -7.959 1.00 25.44 C ATOM 44 O ASP A 984 43.096 -24.909 -8.379 1.00 24.26 O ATOM 45 CB ASP A 984 45.903 -24.054 -9.695 1.00 33.13 C ATOM 46 CG ASP A 984 46.568 -22.941 -10.450 1.00 40.11 C ATOM 47 OD1 ASP A 984 46.282 -21.765 -10.178 1.00 41.40 O ATOM 48 OD2 ASP A 984 47.377 -23.272 -11.334 1.00 46.01 O ATOM 49 H ASP A 984 47.079 -23.263 -7.479 1.00 0.00 H ATOM 50 N THR A 985 44.856 -25.613 -7.135 1.00 25.85 N ATOM 51 CA THR A 985 44.100 -26.736 -6.604 1.00 23.95 C ATOM 52 C THR A 985 42.968 -26.250 -5.715 1.00 21.35 C ATOM 53 O THR A 985 41.808 -26.684 -5.837 1.00 20.63 O ATOM 54 CB THR A 985 45.006 -27.712 -5.790 1.00 23.14 C ATOM 55 OG1 THR A 985 46.007 -28.247 -6.649 1.00 25.87 O ATOM 56 CG2 THR A 985 44.175 -28.883 -5.197 1.00 21.62 C ATOM 57 HG1 THR A 985 45.575 -28.736 -7.393 1.00 0.00 H ATOM 58 H THR A 985 45.854 -25.486 -6.871 1.00 0.00 H ATOM 59 N PHE A 986 43.269 -25.364 -4.765 1.00 21.41 N ATOM 60 CA PHE A 986 42.158 -24.895 -3.940 1.00 20.25 C ATOM 61 C PHE A 986 41.137 -24.075 -4.737 1.00 20.00 C ATOM 62 O PHE A 986 39.943 -24.114 -4.437 1.00 21.05 O ATOM 63 CB PHE A 986 42.697 -24.069 -2.770 1.00 24.60 C ATOM 64 CG PHE A 986 43.492 -24.907 -1.776 1.00 27.30 C ATOM 65 CD1 PHE A 986 42.989 -26.121 -1.315 1.00 27.79 C ATOM 66 CD2 PHE A 986 44.690 -24.495 -1.345 1.00 28.73 C ATOM 67 CE1 PHE A 986 43.719 -26.899 -0.392 1.00 26.84 C ATOM 68 CE2 PHE A 986 45.433 -25.253 -0.413 1.00 32.91 C ATOM 69 CZ PHE A 986 44.950 -26.446 0.042 1.00 29.90 C ATOM 70 H PHE A 986 44.241 -25.025 -4.619 1.00 0.00 H ATOM 71 N ARG A 987 41.584 -23.329 -5.741 1.00 20.77 N ATOM 72 CA ARG A 987 40.586 -22.607 -6.562 1.00 21.08 C ATOM 73 C ARG A 987 39.638 -23.578 -7.259 1.00 21.41 C ATOM 74 O ARG A 987 38.416 -23.313 -7.370 1.00 17.88 O ATOM 75 CB ARG A 987 41.289 -21.744 -7.598 1.00 22.27 C ATOM 76 CG ARG A 987 40.345 -20.890 -8.409 1.00 25.69 C ATOM 77 CD ARG A 987 41.064 -19.733 -9.078 1.00 32.24 C ATOM 78 NE ARG A 987 40.001 -18.962 -9.717 1.00 39.43 N ATOM 79 CZ ARG A 987 39.606 -19.086 -10.998 1.00 43.26 C ATOM 80 NH1 ARG A 987 40.209 -19.949 -11.854 1.00 38.09 N ATOM 81 NH2 ARG A 987 38.611 -18.312 -11.431 1.00 41.94 N ATOM 82 HE ARG A 987 39.507 -18.257 -9.133 1.00 0.00 H ATOM 83 HH12 ARG A 987 39.880 -20.021 -12.838 1.00 0.00 H ATOM 84 HH11 ARG A 987 41.001 -20.539 -11.526 1.00 0.00 H ATOM 85 HH22 ARG A 987 38.285 -18.386 -12.416 1.00 0.00 H ATOM 86 HH21 ARG A 987 38.160 -17.634 -10.784 1.00 0.00 H ATOM 87 H ARG A 987 42.601 -23.255 -5.944 1.00 0.00 H ATOM 88 N GLU A 988 40.205 -24.655 -7.818 1.00 19.16 N ATOM 89 CA GLU A 988 39.333 -25.694 -8.455 1.00 16.44 C ATOM 90 C GLU A 988 38.350 -26.296 -7.437 1.00 20.82 C ATOM 91 O GLU A 988 37.119 -26.479 -7.724 1.00 19.39 O ATOM 92 CB GLU A 988 40.222 -26.780 -9.102 1.00 20.09 C ATOM 93 CG GLU A 988 39.346 -27.883 -9.708 1.00 20.92 C ATOM 94 CD GLU A 988 40.144 -28.797 -10.627 1.00 28.69 C ATOM 95 OE1 GLU A 988 39.545 -29.762 -11.120 1.00 31.90 O ATOM 96 OE2 GLU A 988 41.341 -28.548 -10.811 1.00 27.43 O ATOM 97 H GLU A 988 41.239 -24.769 -7.810 1.00 0.00 H ATOM 98 N LEU A 989 38.845 -26.575 -6.224 1.00 19.47 N ATOM 99 CA LEU A 989 37.942 -26.997 -5.161 1.00 19.31 C ATOM 100 C LEU A 989 36.802 -25.993 -4.909 1.00 19.68 C ATOM 101 O LEU A 989 35.623 -26.390 -4.854 1.00 18.76 O ATOM 102 CB LEU A 989 38.725 -27.255 -3.841 1.00 17.85 C ATOM 103 CG LEU A 989 37.818 -27.655 -2.652 1.00 18.82 C ATOM 104 CD1 LEU A 989 37.127 -28.998 -2.882 1.00 21.05 C ATOM 105 CD2 LEU A 989 38.618 -27.689 -1.344 1.00 22.52 C ATOM 106 H LEU A 989 39.866 -26.491 -6.042 1.00 0.00 H ATOM 107 N ARG A 990 37.112 -24.702 -4.787 1.00 18.80 N ATOM 108 CA ARG A 990 36.048 -23.706 -4.564 1.00 18.22 C ATOM 109 C ARG A 990 35.034 -23.685 -5.693 1.00 17.99 C ATOM 110 O ARG A 990 33.813 -23.627 -5.454 1.00 18.05 O ATOM 111 CB ARG A 990 36.646 -22.303 -4.362 1.00 18.57 C ATOM 112 CG ARG A 990 37.464 -22.223 -3.061 1.00 17.65 C ATOM 113 CD ARG A 990 37.822 -20.709 -2.827 1.00 20.73 C ATOM 114 NE ARG A 990 38.681 -20.117 -3.884 1.00 20.32 N ATOM 115 CZ ARG A 990 40.017 -20.128 -3.873 1.00 22.50 C ATOM 116 NH1 ARG A 990 40.683 -20.721 -2.903 1.00 22.53 N ATOM 117 NH2 ARG A 990 40.726 -19.532 -4.842 1.00 25.64 N ATOM 118 HE ARG A 990 38.209 -19.661 -4.691 1.00 0.00 H ATOM 119 HH12 ARG A 990 41.723 -20.720 -2.910 1.00 0.00 H ATOM 120 HH11 ARG A 990 40.169 -21.190 -2.130 1.00 0.00 H ATOM 121 HH22 ARG A 990 41.765 -19.553 -4.814 1.00 0.00 H ATOM 122 HH21 ARG A 990 40.237 -19.049 -5.622 1.00 0.00 H ATOM 123 H ARG A 990 38.104 -24.397 -4.849 1.00 0.00 H ATOM 124 N ILE A 991 35.513 -23.752 -6.933 1.00 18.28 N ATOM 125 CA ILE A 991 34.614 -23.794 -8.116 1.00 17.11 C ATOM 126 C ILE A 991 33.687 -24.977 -8.002 1.00 19.41 C ATOM 127 O ILE A 991 32.434 -24.853 -8.212 1.00 18.85 O ATOM 128 CB ILE A 991 35.437 -23.811 -9.416 1.00 17.81 C ATOM 129 CG1 ILE A 991 36.157 -22.440 -9.516 1.00 20.19 C ATOM 130 CG2 ILE A 991 34.562 -24.045 -10.635 1.00 18.29 C ATOM 131 CD1 ILE A 991 37.278 -22.353 -10.527 1.00 21.69 C ATOM 132 H ILE A 991 36.543 -23.776 -7.078 1.00 0.00 H ATOM 133 N PHE A 992 34.254 -26.124 -7.678 1.00 17.03 N ATOM 134 CA PHE A 992 33.416 -27.321 -7.539 1.00 19.38 C ATOM 135 C PHE A 992 32.408 -27.160 -6.403 1.00 19.31 C ATOM 136 O PHE A 992 31.204 -27.461 -6.577 1.00 18.20 O ATOM 137 CB PHE A 992 34.303 -28.532 -7.274 1.00 19.56 C ATOM 138 CG PHE A 992 33.537 -29.785 -6.959 1.00 20.94 C ATOM 139 CD1 PHE A 992 32.820 -30.459 -7.961 1.00 22.82 C ATOM 140 CD2 PHE A 992 33.570 -30.304 -5.691 1.00 23.41 C ATOM 141 CE1 PHE A 992 32.093 -31.667 -7.640 1.00 24.54 C ATOM 142 CE2 PHE A 992 32.871 -31.526 -5.379 1.00 25.92 C ATOM 143 CZ PHE A 992 32.147 -32.174 -6.362 1.00 22.38 C ATOM 144 H PHE A 992 35.281 -26.179 -7.523 1.00 0.00 H ATOM 145 N LEU A 993 32.856 -26.663 -5.258 1.00 18.03 N ATOM 146 CA LEU A 993 31.946 -26.499 -4.122 1.00 17.35 C ATOM 147 C LEU A 993 30.823 -25.478 -4.398 1.00 18.54 C ATOM 148 O LEU A 993 29.700 -25.667 -3.932 1.00 19.08 O ATOM 149 CB LEU A 993 32.677 -26.064 -2.854 1.00 15.50 C ATOM 150 CG LEU A 993 33.677 -27.127 -2.368 1.00 17.18 C ATOM 151 CD1 LEU A 993 34.373 -26.662 -1.094 1.00 18.31 C ATOM 152 CD2 LEU A 993 32.982 -28.478 -2.101 1.00 18.59 C ATOM 153 H LEU A 993 33.855 -26.389 -5.167 1.00 0.00 H ATOM 154 N ARG A 994 31.123 -24.406 -5.114 1.00 16.67 N ATOM 155 CA ARG A 994 30.070 -23.440 -5.491 1.00 18.16 C ATOM 156 C ARG A 994 29.019 -24.097 -6.353 1.00 19.71 C ATOM 157 O ARG A 994 27.806 -23.822 -6.247 1.00 18.87 O ATOM 158 CB ARG A 994 30.625 -22.224 -6.255 1.00 17.54 C ATOM 159 CG ARG A 994 31.441 -21.294 -5.392 1.00 19.00 C ATOM 160 CD ARG A 994 31.702 -19.951 -6.133 1.00 19.66 C ATOM 161 NE ARG A 994 32.799 -19.321 -5.434 1.00 21.69 N ATOM 162 CZ ARG A 994 34.085 -19.479 -5.707 1.00 22.24 C ATOM 163 NH1 ARG A 994 34.486 -20.130 -6.819 1.00 20.70 N ATOM 164 NH2 ARG A 994 34.974 -18.890 -4.895 1.00 22.84 N ATOM 165 HE ARG A 994 32.557 -18.687 -4.646 1.00 0.00 H ATOM 166 HH12 ARG A 994 35.500 -20.245 -7.017 1.00 0.00 H ATOM 167 HH11 ARG A 994 33.781 -20.517 -7.478 1.00 0.00 H ATOM 168 HH22 ARG A 994 35.993 -18.992 -5.078 1.00 0.00 H ATOM 169 HH21 ARG A 994 34.645 -18.331 -4.082 1.00 0.00 H ATOM 170 H ARG A 994 32.106 -24.242 -5.413 1.00 0.00 H ATOM 171 N ASN A 995 29.474 -24.966 -7.232 1.00 18.72 N ATOM 172 CA ASN A 995 28.537 -25.605 -8.154 1.00 20.97 C ATOM 173 C ASN A 995 27.613 -26.554 -7.405 1.00 21.52 C ATOM 174 O ASN A 995 26.374 -26.520 -7.599 1.00 19.45 O ATOM 175 CB ASN A 995 29.326 -26.314 -9.269 1.00 22.13 C ATOM 176 CG ASN A 995 28.410 -27.061 -10.225 1.00 28.98 C ATOM 177 OD1 ASN A 995 28.056 -28.158 -9.943 1.00 23.16 O ATOM 178 ND2 ASN A 995 27.992 -26.420 -11.350 1.00 35.90 N ATOM 179 HD22 ASN A 995 28.329 -25.458 -11.556 1.00 0.00 H ATOM 180 HD21 ASN A 995 27.335 -26.892 -12.004 1.00 0.00 H ATOM 181 H ASN A 995 30.488 -25.195 -7.270 1.00 0.00 H ATOM 182 N VAL A 996 28.189 -27.391 -6.542 1.00 17.74 N ATOM 183 CA VAL A 996 27.375 -28.319 -5.729 1.00 18.32 C ATOM 184 C VAL A 996 26.389 -27.500 -4.867 1.00 18.17 C ATOM 185 O VAL A 996 25.194 -27.812 -4.781 1.00 20.04 O ATOM 186 CB VAL A 996 28.251 -29.175 -4.797 1.00 18.30 C ATOM 187 CG1 VAL A 996 27.413 -29.982 -3.791 1.00 20.19 C ATOM 188 CG2 VAL A 996 29.200 -30.129 -5.662 1.00 18.19 C ATOM 189 H VAL A 996 29.224 -27.391 -6.439 1.00 0.00 H ATOM 190 N THR A 997 26.882 -26.426 -4.271 1.00 16.61 N ATOM 191 CA THR A 997 26.035 -25.654 -3.321 1.00 19.03 C ATOM 192 C THR A 997 24.893 -24.990 -4.061 1.00 21.64 C ATOM 193 O THR A 997 23.744 -24.929 -3.566 1.00 21.76 O ATOM 194 CB THR A 997 26.865 -24.602 -2.557 1.00 19.94 C ATOM 195 OG1 THR A 997 27.988 -25.251 -1.938 1.00 18.90 O ATOM 196 CG2 THR A 997 26.003 -23.951 -1.409 1.00 19.68 C ATOM 197 HG1 THR A 997 28.548 -25.676 -2.635 1.00 0.00 H ATOM 198 H THR A 997 27.858 -26.123 -4.466 1.00 0.00 H ATOM 199 N HIS A 998 25.183 -24.482 -5.254 1.00 18.87 N ATOM 200 CA HIS A 998 24.113 -23.868 -6.053 1.00 21.18 C ATOM 201 C HIS A 998 23.041 -24.892 -6.416 1.00 21.86 C ATOM 202 O HIS A 998 21.836 -24.599 -6.363 1.00 20.83 O ATOM 203 CB HIS A 998 24.676 -23.132 -7.247 1.00 21.73 C ATOM 204 CG HIS A 998 25.036 -21.718 -6.916 1.00 22.51 C ATOM 205 ND1 HIS A 998 24.444 -21.010 -5.877 1.00 21.71 N ATOM 206 CD2 HIS A 998 25.972 -20.899 -7.442 1.00 26.16 C ATOM 207 CE1 HIS A 998 24.981 -19.810 -5.810 1.00 25.23 C ATOM 208 NE2 HIS A 998 25.912 -19.716 -6.744 1.00 28.67 N ATOM 209 H HIS A 998 26.156 -24.518 -5.618 1.00 0.00 H ATOM 210 N ARG A 999 23.462 -26.113 -6.761 1.00 19.18 N ATOM 211 CA ARG A 999 22.460 -27.139 -7.097 1.00 21.49 C ATOM 212 C ARG A 999 21.622 -27.532 -5.889 1.00 23.26 C ATOM 213 O ARG A 999 20.417 -27.835 -6.048 1.00 21.53 O ATOM 214 CB ARG A 999 23.113 -28.370 -7.697 1.00 21.66 C ATOM 215 CG ARG A 999 23.553 -28.129 -9.164 1.00 22.15 C ATOM 216 CD ARG A 999 24.927 -28.838 -9.478 1.00 28.24 C ATOM 217 NE ARG A 999 24.693 -30.234 -9.549 1.00 28.00 N ATOM 218 CZ ARG A 999 25.633 -31.174 -9.651 1.00 26.78 C ATOM 219 NH1 ARG A 999 26.935 -30.865 -9.687 1.00 24.72 N ATOM 220 NH2 ARG A 999 25.245 -32.415 -9.693 1.00 22.46 N ATOM 221 HE ARG A 999 23.703 -30.552 -9.519 1.00 0.00 H ATOM 222 HH12 ARG A 999 27.646 -31.619 -9.767 1.00 0.00 H ATOM 223 HH11 ARG A 999 27.235 -29.871 -9.635 1.00 0.00 H ATOM 224 HH22 ARG A 999 25.948 -33.177 -9.772 1.00 0.00 H ATOM 225 HH21 ARG A 999 24.232 -32.645 -9.647 1.00 0.00 H ATOM 226 H ARG A 999 24.478 -26.334 -6.792 1.00 0.00 H ATOM 227 N LEU A1000 22.204 -27.491 -4.701 1.00 21.41 N ATOM 228 CA LEU A1000 21.389 -27.700 -3.472 1.00 20.48 C ATOM 229 C LEU A1000 20.454 -26.523 -3.284 1.00 22.66 C ATOM 230 O LEU A1000 19.258 -26.684 -2.953 1.00 23.15 O ATOM 231 CB LEU A1000 22.292 -27.848 -2.238 1.00 19.61 C ATOM 232 CG LEU A1000 23.284 -29.029 -2.301 1.00 19.55 C ATOM 233 CD1 LEU A1000 24.209 -29.080 -1.087 1.00 19.57 C ATOM 234 CD2 LEU A1000 22.530 -30.412 -2.361 1.00 22.54 C ATOM 235 H LEU A1000 23.226 -27.314 -4.626 1.00 0.00 H ATOM 236 N ALA A1001 20.982 -25.322 -3.499 1.00 19.94 N ATOM 237 CA ALA A1001 20.229 -24.123 -3.111 1.00 23.17 C ATOM 238 C ALA A1001 19.022 -23.881 -4.013 1.00 25.75 C ATOM 239 O ALA A1001 18.063 -23.158 -3.593 1.00 25.59 O ATOM 240 CB ALA A1001 21.131 -22.899 -3.101 1.00 24.47 C ATOM 241 H ALA A1001 21.920 -25.233 -3.938 1.00 0.00 H ATOM 242 N ILE A1002 19.054 -24.422 -5.229 1.00 26.50 N ATOM 243 CA ILE A1002 17.944 -24.139 -6.130 1.00 29.86 C ATOM 244 C ILE A1002 16.881 -25.255 -6.043 1.00 32.37 C ATOM 245 O ILE A1002 15.820 -25.151 -6.649 1.00 32.58 O ATOM 246 CB ILE A1002 18.388 -23.968 -7.584 1.00 32.35 C ATOM 247 CG1 ILE A1002 18.925 -25.289 -8.135 1.00 29.81 C ATOM 248 CG2 ILE A1002 19.399 -22.827 -7.714 1.00 35.52 C ATOM 249 CD1 ILE A1002 19.360 -25.210 -9.603 1.00 37.84 C ATOM 250 H ILE A1002 19.846 -25.027 -5.526 1.00 0.00 H ATOM 251 N ASP A1003 17.150 -26.294 -5.262 1.00 27.35 N ATOM 252 CA ASP A1003 16.203 -27.383 -5.040 1.00 28.85 C ATOM 253 C ASP A1003 15.073 -26.907 -4.113 1.00 29.58 C ATOM 254 O ASP A1003 15.350 -26.488 -2.979 1.00 27.27 O ATOM 255 CB ASP A1003 16.919 -28.581 -4.424 1.00 29.38 C ATOM 256 CG ASP A1003 16.081 -29.852 -4.456 1.00 33.34 C ATOM 257 OD1 ASP A1003 14.918 -29.853 -3.995 1.00 31.48 O ATOM 258 OD2 ASP A1003 16.608 -30.871 -4.909 1.00 34.25 O ATOM 259 H ASP A1003 18.075 -26.334 -4.788 1.00 0.00 H ATOM 260 N LYS A1004 13.821 -26.944 -4.597 1.00 30.19 N ATOM 261 CA LYS A1004 12.657 -26.443 -3.810 1.00 33.43 C ATOM 262 C LYS A1004 12.563 -27.080 -2.418 1.00 31.16 C ATOM 263 O LYS A1004 12.122 -26.449 -1.459 1.00 30.08 O ATOM 264 CB LYS A1004 11.332 -26.676 -4.573 1.00 34.94 C ATOM 265 CG LYS A1004 11.199 -25.836 -5.813 1.00 44.13 C ATOM 266 H LYS A1004 13.658 -27.333 -5.548 1.00 0.00 H ATOM 267 N ARG A1005 13.015 -28.318 -2.277 1.00 30.55 N ATOM 268 CA ARG A1005 12.943 -28.981 -0.971 1.00 29.46 C ATOM 269 C ARG A1005 13.797 -28.341 0.095 1.00 30.04 C ATOM 270 O ARG A1005 13.546 -28.528 1.275 1.00 29.69 O ATOM 271 CB ARG A1005 13.384 -30.437 -1.069 1.00 30.51 C ATOM 272 CG ARG A1005 12.445 -31.296 -1.917 1.00 33.74 C ATOM 273 CD ARG A1005 13.061 -32.683 -2.086 1.00 33.49 C ATOM 274 NE ARG A1005 14.291 -32.599 -2.856 1.00 33.70 N ATOM 275 CZ ARG A1005 15.128 -33.613 -3.015 1.00 34.33 C ATOM 276 NH1 ARG A1005 14.847 -34.780 -2.439 1.00 34.99 N ATOM 277 NH2 ARG A1005 16.224 -33.466 -3.748 1.00 31.45 N ATOM 278 HE ARG A1005 14.527 -31.692 -3.307 1.00 0.00 H ATOM 279 HH12 ARG A1005 15.494 -35.586 -2.554 1.00 0.00 H ATOM 280 HH11 ARG A1005 13.980 -34.886 -1.874 1.00 0.00 H ATOM 281 HH22 ARG A1005 16.879 -34.265 -3.870 1.00 0.00 H ATOM 282 HH21 ARG A1005 16.428 -32.552 -4.200 1.00 0.00 H ATOM 283 H ARG A1005 13.421 -28.819 -3.093 1.00 0.00 H ATOM 284 N PHE A1006 14.822 -27.617 -0.333 1.00 24.50 N ATOM 285 CA PHE A1006 15.888 -27.146 0.565 1.00 23.26 C ATOM 286 C PHE A1006 15.787 -25.642 0.754 1.00 26.27 C ATOM 287 O PHE A1006 16.667 -25.008 1.339 1.00 27.07 O ATOM 288 CB PHE A1006 17.284 -27.536 0.007 1.00 22.27 C ATOM 289 CG PHE A1006 17.419 -29.017 -0.294 1.00 24.36 C ATOM 290 CD1 PHE A1006 16.741 -29.968 0.476 1.00 24.42 C ATOM 291 CD2 PHE A1006 18.233 -29.467 -1.330 1.00 23.18 C ATOM 292 CE1 PHE A1006 16.854 -31.302 0.193 1.00 25.73 C ATOM 293 CE2 PHE A1006 18.345 -30.809 -1.607 1.00 23.47 C ATOM 294 CZ PHE A1006 17.651 -31.732 -0.866 1.00 26.01 C ATOM 295 H PHE A1006 14.874 -27.373 -1.343 1.00 0.00 H ATOM 296 N ARG A1007 14.645 -25.071 0.355 1.00 27.72 N ATOM 297 CA ARG A1007 14.482 -23.632 0.459 1.00 29.36 C ATOM 298 C ARG A1007 14.668 -23.174 1.901 1.00 29.39 C ATOM 299 O ARG A1007 15.259 -22.135 2.170 1.00 32.49 O ATOM 300 CB ARG A1007 13.108 -23.220 -0.063 1.00 32.18 C ATOM 301 CG ARG A1007 12.855 -21.761 0.088 1.00 43.62 C ATOM 302 CD ARG A1007 11.510 -21.427 -0.531 1.00 55.23 C ATOM 303 NE ARG A1007 11.172 -20.021 -0.347 1.00 69.58 N ATOM 304 CZ ARG A1007 11.360 -19.069 -1.265 1.00 79.71 C ATOM 305 NH1 ARG A1007 11.898 -19.368 -2.450 1.00 81.33 N ATOM 306 NH2 ARG A1007 11.003 -17.811 -0.998 1.00 84.70 N ATOM 307 HE ARG A1007 10.755 -19.739 0.563 1.00 0.00 H ATOM 308 HH12 ARG A1007 12.041 -18.621 -3.159 1.00 0.00 H ATOM 309 HH11 ARG A1007 12.174 -20.348 -2.664 1.00 0.00 H ATOM 310 HH22 ARG A1007 11.148 -17.067 -1.710 1.00 0.00 H ATOM 311 HH21 ARG A1007 10.580 -17.575 -0.078 1.00 0.00 H ATOM 312 H ARG A1007 13.876 -25.656 -0.029 1.00 0.00 H ATOM 313 N VAL A1008 14.183 -23.987 2.828 1.00 29.94 N ATOM 314 CA VAL A1008 14.247 -23.670 4.245 1.00 33.35 C ATOM 315 C VAL A1008 15.710 -23.590 4.753 1.00 29.25 C ATOM 316 O VAL A1008 15.987 -22.985 5.799 1.00 32.37 O ATOM 317 CB VAL A1008 13.456 -24.722 5.063 1.00 38.42 C ATOM 318 CG1 VAL A1008 14.108 -26.100 5.000 1.00 32.40 C ATOM 319 CG2 VAL A1008 13.253 -24.279 6.473 1.00 42.17 C ATOM 320 H VAL A1008 13.742 -24.881 2.532 1.00 0.00 H ATOM 321 N PHE A1009 16.622 -24.160 3.989 1.00 25.19 N ATOM 322 CA PHE A1009 18.036 -24.174 4.402 1.00 25.73 C ATOM 323 C PHE A1009 18.855 -23.107 3.660 1.00 26.37 C ATOM 324 O PHE A1009 20.082 -23.094 3.773 1.00 28.36 O ATOM 325 CB PHE A1009 18.670 -25.553 4.175 1.00 25.50 C ATOM 326 CG PHE A1009 17.902 -26.683 4.851 1.00 24.17 C ATOM 327 CD1 PHE A1009 17.709 -26.672 6.235 1.00 23.71 C ATOM 328 CD2 PHE A1009 17.388 -27.734 4.086 1.00 25.68 C ATOM 329 CE1 PHE A1009 16.959 -27.686 6.875 1.00 25.59 C ATOM 330 CE2 PHE A1009 16.620 -28.761 4.686 1.00 25.52 C ATOM 331 CZ PHE A1009 16.424 -28.750 6.096 1.00 25.52 C ATOM 332 H PHE A1009 16.341 -24.602 3.090 1.00 0.00 H ATOM 333 N THR A1010 18.207 -22.241 2.878 1.00 31.52 N ATOM 334 CA THR A1010 18.981 -21.342 2.012 1.00 29.96 C ATOM 335 C THR A1010 19.442 -20.036 2.674 1.00 34.66 C ATOM 336 O THR A1010 20.388 -19.397 2.202 1.00 37.22 O ATOM 337 CB THR A1010 18.213 -20.974 0.728 1.00 32.06 C ATOM 338 OG1 THR A1010 16.944 -20.408 1.058 1.00 31.95 O ATOM 339 CG2 THR A1010 18.018 -22.260 -0.111 1.00 31.45 C ATOM 340 HG1 THR A1010 16.415 -21.066 1.576 1.00 0.00 H ATOM 341 H THR A1010 17.168 -22.203 2.882 1.00 0.00 H ATOM 342 N LYS A1011 18.817 -19.683 3.783 1.00 28.71 N ATOM 343 CA LYS A1011 19.082 -18.414 4.487 1.00 32.56 C ATOM 344 C LYS A1011 19.252 -18.744 5.983 1.00 32.54 C ATOM 345 O LYS A1011 18.735 -19.754 6.432 1.00 32.34 O ATOM 346 CB LYS A1011 17.921 -17.432 4.280 1.00 34.79 C ATOM 347 CG LYS A1011 17.847 -16.835 2.867 1.00 38.89 C ATOM 348 CD LYS A1011 16.603 -15.986 2.650 1.00 45.92 C ATOM 349 H LYS A1011 18.105 -20.330 4.178 1.00 0.00 H ATOM 350 N PRO A1012 19.970 -17.903 6.749 1.00 36.84 N ATOM 351 CA PRO A1012 19.990 -18.142 8.190 1.00 38.90 C ATOM 352 C PRO A1012 18.561 -18.099 8.745 1.00 40.04 C ATOM 353 O PRO A1012 17.682 -17.410 8.190 1.00 37.69 O ATOM 354 CB PRO A1012 20.804 -16.968 8.743 1.00 44.46 C ATOM 355 CG PRO A1012 21.572 -16.469 7.625 1.00 45.19 C ATOM 356 CD PRO A1012 20.774 -16.729 6.381 1.00 42.15 C ATOM 357 N VAL A1013 18.328 -18.845 9.814 1.00 40.88 N ATOM 358 CA VAL A1013 17.070 -18.749 10.543 1.00 43.38 C ATOM 359 C VAL A1013 16.928 -17.339 11.137 1.00 48.29 C ATOM 360 O VAL A1013 17.783 -16.886 11.895 1.00 52.67 O ATOM 361 CB VAL A1013 16.991 -19.835 11.658 1.00 37.45 C ATOM 362 CG1 VAL A1013 15.715 -19.682 12.492 1.00 41.84 C ATOM 363 CG2 VAL A1013 17.079 -21.230 11.052 1.00 34.77 C ATOM 364 H VAL A1013 19.057 -19.512 10.139 1.00 0.00 H ATOM 365 N ASP A1014 15.833 -16.665 10.789 1.00 49.87 N ATOM 366 CA ASP A1014 15.554 -15.276 11.188 1.00 58.26 C ATOM 367 C ASP A1014 15.146 -15.169 12.660 1.00 63.30 C ATOM 368 O ASP A1014 14.159 -15.778 13.065 1.00 63.75 O ATOM 369 CB ASP A1014 14.454 -14.727 10.270 1.00 61.99 C ATOM 370 CG ASP A1014 14.017 -13.319 10.613 1.00 70.17 C ATOM 371 OD1 ASP A1014 14.750 -12.562 11.286 1.00 73.77 O ATOM 372 OD2 ASP A1014 12.908 -12.968 10.178 1.00 73.22 O ATOM 373 H ASP A1014 15.130 -17.152 10.197 1.00 0.00 H ATOM 374 N PRO A1015 15.910 -14.411 13.474 1.00 68.31 N ATOM 375 CA PRO A1015 15.642 -14.370 14.924 1.00 72.99 C ATOM 376 C PRO A1015 14.319 -13.700 15.281 1.00 77.91 C ATOM 377 O PRO A1015 13.904 -13.717 16.439 1.00 80.49 O ATOM 378 CB PRO A1015 16.822 -13.564 15.480 1.00 74.67 C ATOM 379 CG PRO A1015 17.303 -12.765 14.328 1.00 74.68 C ATOM 380 CD PRO A1015 17.112 -13.638 13.121 1.00 69.43 C ATOM 381 N ASP A1016 13.658 -13.119 14.289 1.00 80.01 N ATOM 382 CA ASP A1016 12.369 -12.491 14.520 1.00 83.85 C ATOM 383 C ASP A1016 11.249 -13.491 14.285 1.00 79.52 C ATOM 384 O ASP A1016 10.212 -13.412 14.929 1.00 82.37 O ATOM 385 CB ASP A1016 12.201 -11.263 13.628 1.00 89.03 C ATOM 386 CG ASP A1016 13.275 -10.217 13.878 1.00 92.68 C ATOM 387 OD1 ASP A1016 13.552 -9.909 15.059 1.00 93.43 O ATOM 388 OD2 ASP A1016 13.858 -9.724 12.888 1.00 94.65 O ATOM 389 H ASP A1016 14.068 -13.113 13.333 1.00 0.00 H ATOM 390 N GLU A1017 11.452 -14.431 13.367 1.00 71.79 N ATOM 391 CA GLU A1017 10.502 -15.527 13.220 1.00 67.47 C ATOM 392 C GLU A1017 10.737 -16.579 14.329 1.00 64.27 C ATOM 393 O GLU A1017 9.781 -17.084 14.925 1.00 66.66 O ATOM 394 CB GLU A1017 10.593 -16.152 11.821 1.00 64.03 C ATOM 395 H GLU A1017 12.290 -14.384 12.753 1.00 0.00 H ATOM 396 N VAL A1018 12.004 -16.875 14.635 1.00 57.01 N ATOM 397 CA VAL A1018 12.351 -17.909 15.612 1.00 52.37 C ATOM 398 C VAL A1018 13.331 -17.380 16.659 1.00 55.50 C ATOM 399 O VAL A1018 14.539 -17.580 16.549 1.00 53.63 O ATOM 400 CB VAL A1018 12.975 -19.134 14.916 1.00 48.82 C ATOM 401 CG1 VAL A1018 12.981 -20.344 15.844 1.00 45.16 C ATOM 402 CG2 VAL A1018 12.234 -19.449 13.606 1.00 48.87 C ATOM 403 H VAL A1018 12.770 -16.353 14.163 1.00 0.00 H ATOM 404 N PRO A1019 12.818 -16.694 17.690 1.00 61.90 N ATOM 405 CA PRO A1019 13.722 -16.011 18.625 1.00 64.03 C ATOM 406 C PRO A1019 14.611 -16.927 19.475 1.00 62.19 C ATOM 407 O PRO A1019 15.719 -16.521 19.782 1.00 65.69 O ATOM 408 CB PRO A1019 12.760 -15.210 19.515 1.00 68.06 C ATOM 409 CG PRO A1019 11.462 -15.930 19.420 1.00 67.54 C ATOM 410 CD PRO A1019 11.397 -16.481 18.023 1.00 64.03 C ATOM 411 N ASP A1020 14.167 -18.120 19.846 1.00 60.26 N ATOM 412 CA ASP A1020 15.004 -18.994 20.677 1.00 62.39 C ATOM 413 C ASP A1020 15.980 -19.860 19.861 1.00 55.44 C ATOM 414 O ASP A1020 16.667 -20.726 20.408 1.00 54.69 O ATOM 415 CB ASP A1020 14.137 -19.908 21.519 1.00 71.50 C ATOM 416 CG ASP A1020 13.218 -20.743 20.675 1.00 78.85 C ATOM 417 OD1 ASP A1020 12.264 -20.170 20.080 1.00 83.32 O ATOM 418 OD2 ASP A1020 13.467 -21.966 20.588 1.00 79.08 O ATOM 419 H ASP A1020 13.223 -18.438 19.547 1.00 0.00 H ATOM 420 N TYR A1021 16.047 -19.641 18.562 1.00 47.82 N ATOM 421 CA TYR A1021 16.891 -20.538 17.776 1.00 43.47 C ATOM 422 C TYR A1021 18.362 -20.348 18.130 1.00 47.65 C ATOM 423 O TYR A1021 19.087 -21.331 18.376 1.00 45.81 O ATOM 424 CB TYR A1021 16.674 -20.320 16.295 1.00 39.94 C ATOM 425 CG TYR A1021 17.394 -21.339 15.427 1.00 36.33 C ATOM 426 CD1 TYR A1021 16.808 -22.560 15.145 1.00 34.95 C ATOM 427 CD2 TYR A1021 18.667 -21.088 14.909 1.00 35.60 C ATOM 428 CE1 TYR A1021 17.447 -23.502 14.358 1.00 32.23 C ATOM 429 CE2 TYR A1021 19.329 -22.057 14.095 1.00 32.33 C ATOM 430 CZ TYR A1021 18.681 -23.241 13.830 1.00 30.08 C ATOM 431 OH TYR A1021 19.284 -24.220 13.065 1.00 28.15 O ATOM 432 HH TYR A1021 18.673 -24.995 12.981 1.00 0.00 H ATOM 433 H TYR A1021 15.521 -18.862 18.116 1.00 0.00 H ATOM 434 N VAL A1022 18.794 -19.088 18.175 1.00 52.76 N ATOM 435 CA VAL A1022 20.207 -18.768 18.361 1.00 53.44 C ATOM 436 C VAL A1022 20.647 -19.221 19.759 1.00 55.41 C ATOM 437 O VAL A1022 21.822 -19.536 19.968 1.00 55.60 O ATOM 438 CB VAL A1022 20.477 -17.249 18.119 1.00 78.90 C ATOM 439 CG1 VAL A1022 21.902 -16.858 18.486 1.00 80.63 C ATOM 440 CG2 VAL A1022 20.233 -16.908 16.660 1.00 77.34 C ATOM 441 H VAL A1022 18.108 -18.313 18.075 1.00 0.00 H ATOM 442 N THR A1023 19.711 -19.320 20.700 1.00 55.10 N ATOM 443 CA THR A1023 20.058 -19.856 22.020 1.00 57.81 C ATOM 444 C THR A1023 20.145 -21.391 22.069 1.00 54.25 C ATOM 445 O THR A1023 20.916 -21.943 22.851 1.00 58.46 O ATOM 446 CB THR A1023 19.069 -19.401 23.115 1.00 64.89 C ATOM 447 OG1 THR A1023 17.863 -20.179 23.044 1.00 66.94 O ATOM 448 CG2 THR A1023 18.748 -17.922 22.969 1.00 67.40 C ATOM 449 HG1 THR A1023 17.444 -20.056 22.155 1.00 0.00 H ATOM 450 H THR A1023 18.736 -19.018 20.500 1.00 0.00 H ATOM 451 N VAL A1024 19.370 -22.089 21.246 1.00 45.84 N ATOM 452 CA VAL A1024 19.366 -23.555 21.279 1.00 42.47 C ATOM 453 C VAL A1024 20.424 -24.172 20.353 1.00 39.97 C ATOM 454 O VAL A1024 21.080 -25.150 20.689 1.00 38.85 O ATOM 455 CB VAL A1024 17.959 -24.100 20.897 1.00 46.54 C ATOM 456 CG1 VAL A1024 17.993 -25.601 20.619 1.00 43.71 C ATOM 457 CG2 VAL A1024 16.988 -23.757 21.989 1.00 49.06 C ATOM 458 H VAL A1024 18.758 -21.589 20.570 1.00 0.00 H ATOM 459 N ILE A1025 20.598 -23.591 19.181 1.00 35.82 N ATOM 460 CA ILE A1025 21.505 -24.147 18.202 1.00 33.61 C ATOM 461 C ILE A1025 22.800 -23.324 18.252 1.00 38.18 C ATOM 462 O ILE A1025 22.814 -22.146 17.888 1.00 38.16 O ATOM 463 CB ILE A1025 20.891 -24.103 16.793 1.00 31.84 C ATOM 464 CG1 ILE A1025 19.687 -25.067 16.734 1.00 31.34 C ATOM 465 CG2 ILE A1025 21.932 -24.416 15.712 1.00 30.01 C ATOM 466 CD1 ILE A1025 20.074 -26.496 16.992 1.00 29.36 C ATOM 467 H ILE A1025 20.075 -22.720 18.958 1.00 0.00 H ATOM 468 N LYS A1026 23.880 -23.942 18.693 1.00 34.91 N ATOM 469 CA LYS A1026 25.105 -23.169 18.964 1.00 36.48 C ATOM 470 C LYS A1026 25.900 -22.800 17.731 1.00 37.50 C ATOM 471 O LYS A1026 26.676 -21.848 17.786 1.00 37.63 O ATOM 472 CB LYS A1026 25.994 -23.944 19.905 1.00 37.18 C ATOM 473 CG LYS A1026 25.299 -24.248 21.202 1.00 39.55 C ATOM 474 CD LYS A1026 24.694 -22.997 21.811 1.00 44.27 C ATOM 475 CE LYS A1026 23.941 -23.333 23.071 1.00 46.48 C ATOM 476 NZ LYS A1026 23.585 -22.101 23.824 1.00 47.59 N ATOM 477 HZ1 LYS A1026 24.454 -21.590 24.080 1.00 0.00 H ATOM 478 HZ2 LYS A1026 22.986 -21.493 23.229 1.00 0.00 H ATOM 479 HZ3 LYS A1026 23.067 -22.361 24.687 1.00 0.00 H ATOM 480 H LYS A1026 23.866 -24.970 18.849 1.00 0.00 H ATOM 481 N GLN A1027 25.745 -23.562 16.653 1.00 32.90 N ATOM 482 CA GLN A1027 26.463 -23.281 15.397 1.00 38.75 C ATOM 483 C GLN A1027 25.514 -23.274 14.236 1.00 30.89 C ATOM 484 O GLN A1027 25.448 -24.257 13.500 1.00 28.78 O ATOM 485 CB GLN A1027 27.521 -24.336 15.068 1.00 41.92 C ATOM 486 CG GLN A1027 28.717 -24.338 15.863 1.00 45.86 C ATOM 487 CD GLN A1027 29.760 -25.249 15.243 1.00 44.22 C ATOM 488 OE1 GLN A1027 29.771 -26.448 15.502 1.00 44.38 O ATOM 489 NE2 GLN A1027 30.619 -24.682 14.403 1.00 41.35 N ATOM 490 HE22 GLN A1027 30.567 -23.660 14.217 1.00 0.00 H ATOM 491 HE21 GLN A1027 31.343 -25.260 13.931 1.00 0.00 H ATOM 492 H GLN A1027 25.101 -24.377 16.697 1.00 0.00 H ATOM 493 N PRO A1028 24.750 -22.198 14.088 1.00 31.39 N ATOM 494 CA PRO A1028 23.788 -22.117 12.987 1.00 30.67 C ATOM 495 C PRO A1028 24.525 -22.281 11.663 1.00 29.30 C ATOM 496 O PRO A1028 25.659 -21.797 11.569 1.00 29.56 O ATOM 497 CB PRO A1028 23.204 -20.709 13.132 1.00 32.88 C ATOM 498 CG PRO A1028 23.441 -20.339 14.569 1.00 35.11 C ATOM 499 CD PRO A1028 24.759 -20.987 14.911 1.00 34.21 C ATOM 500 N MET A1029 23.934 -22.961 10.691 1.00 26.76 N ATOM 501 CA MET A1029 24.586 -23.035 9.375 1.00 26.93 C ATOM 502 C MET A1029 23.488 -23.095 8.319 1.00 25.09 C ATOM 503 O MET A1029 22.408 -23.625 8.568 1.00 27.65 O ATOM 504 CB MET A1029 25.494 -24.263 9.312 1.00 24.66 C ATOM 505 CG MET A1029 26.364 -24.370 8.028 1.00 23.27 C ATOM 506 SD MET A1029 27.358 -22.907 7.710 1.00 29.64 S ATOM 507 CE MET A1029 28.356 -22.808 9.219 1.00 28.55 C ATOM 508 H MET A1029 23.023 -23.435 10.856 1.00 0.00 H ATOM 509 N ASP A1030 23.754 -22.556 7.144 1.00 25.04 N ATOM 510 CA ASP A1030 22.765 -22.553 6.062 1.00 25.32 C ATOM 511 C ASP A1030 23.546 -22.399 4.759 1.00 25.68 C ATOM 512 O ASP A1030 24.752 -22.098 4.767 1.00 24.37 O ATOM 513 CB ASP A1030 21.774 -21.370 6.211 1.00 26.00 C ATOM 514 CG ASP A1030 22.493 -20.063 6.047 1.00 31.15 C ATOM 515 OD1 ASP A1030 23.153 -19.594 6.995 1.00 35.95 O ATOM 516 OD2 ASP A1030 22.471 -19.525 4.944 1.00 34.21 O ATOM 517 H ASP A1030 24.686 -22.124 6.982 1.00 0.00 H ATOM 518 N LEU A1031 22.865 -22.576 3.635 1.00 23.16 N ATOM 519 CA LEU A1031 23.611 -22.627 2.376 1.00 25.20 C ATOM 520 C LEU A1031 24.164 -21.271 1.954 1.00 26.35 C ATOM 521 O LEU A1031 25.214 -21.213 1.269 1.00 24.74 O ATOM 522 CB LEU A1031 22.727 -23.212 1.273 1.00 24.85 C ATOM 523 CG LEU A1031 22.285 -24.644 1.523 1.00 24.58 C ATOM 524 CD1 LEU A1031 21.169 -25.065 0.511 1.00 26.14 C ATOM 525 CD2 LEU A1031 23.448 -25.663 1.484 1.00 21.05 C ATOM 526 H LEU A1031 21.830 -22.676 3.647 1.00 0.00 H ATOM 527 N SER A1032 23.546 -20.173 2.378 1.00 27.64 N ATOM 528 CA SER A1032 24.128 -18.869 1.989 1.00 28.10 C ATOM 529 C SER A1032 25.448 -18.654 2.753 1.00 27.55 C ATOM 530 O SER A1032 26.396 -18.075 2.234 1.00 28.40 O ATOM 531 CB SER A1032 23.165 -17.708 2.257 1.00 29.13 C ATOM 532 OG SER A1032 22.970 -17.520 3.644 1.00 31.37 O ATOM 533 HG SER A1032 22.590 -18.345 4.037 1.00 0.00 H ATOM 534 H SER A1032 22.686 -20.228 2.961 1.00 0.00 H ATOM 535 N SER A1033 25.492 -19.131 3.984 1.00 25.39 N ATOM 536 CA SER A1033 26.687 -19.015 4.803 1.00 26.78 C ATOM 537 C SER A1033 27.757 -19.913 4.223 1.00 24.43 C ATOM 538 O SER A1033 28.929 -19.589 4.265 1.00 23.21 O ATOM 539 CB SER A1033 26.380 -19.377 6.260 1.00 27.09 C ATOM 540 OG SER A1033 25.493 -18.384 6.815 1.00 31.88 O ATOM 541 HG SER A1033 24.653 -18.364 6.292 1.00 0.00 H ATOM 542 H SER A1033 24.651 -19.601 4.377 1.00 0.00 H ATOM 543 N VAL A1034 27.343 -21.053 3.700 1.00 22.13 N ATOM 544 CA VAL A1034 28.313 -21.965 3.093 1.00 21.34 C ATOM 545 C VAL A1034 28.974 -21.300 1.906 1.00 22.17 C ATOM 546 O VAL A1034 30.183 -21.405 1.744 1.00 20.98 O ATOM 547 CB VAL A1034 27.641 -23.297 2.701 1.00 19.68 C ATOM 548 CG1 VAL A1034 28.506 -24.123 1.705 1.00 19.98 C ATOM 549 CG2 VAL A1034 27.303 -24.133 4.000 1.00 20.40 C ATOM 550 H VAL A1034 26.333 -21.301 3.720 1.00 0.00 H ATOM 551 N ILE A1035 28.184 -20.622 1.073 1.00 21.27 N ATOM 552 CA ILE A1035 28.734 -19.864 -0.066 1.00 21.06 C ATOM 553 C ILE A1035 29.710 -18.814 0.438 1.00 21.77 C ATOM 554 O ILE A1035 30.817 -18.684 -0.112 1.00 21.45 O ATOM 555 CB ILE A1035 27.604 -19.152 -0.860 1.00 26.59 C ATOM 556 CG1 ILE A1035 26.664 -20.164 -1.521 1.00 26.99 C ATOM 557 CG2 ILE A1035 28.200 -18.221 -1.903 1.00 27.79 C ATOM 558 CD1 ILE A1035 27.438 -21.043 -2.359 1.00 34.19 C ATOM 559 H ILE A1035 27.156 -20.628 1.230 1.00 0.00 H ATOM 560 N SER A1036 29.301 -18.022 1.445 1.00 24.06 N ATOM 561 CA SER A1036 30.232 -17.043 2.026 1.00 25.44 C ATOM 562 C SER A1036 31.548 -17.694 2.467 1.00 24.74 C ATOM 563 O SER A1036 32.624 -17.151 2.232 1.00 22.21 O ATOM 564 CB SER A1036 29.614 -16.316 3.238 1.00 28.58 C ATOM 565 OG SER A1036 28.532 -15.523 2.764 1.00 35.24 O ATOM 566 HG SER A1036 28.117 -15.045 3.525 1.00 0.00 H ATOM 567 H SER A1036 28.331 -18.101 1.811 1.00 0.00 H ATOM 568 N LYS A1037 31.459 -18.844 3.128 1.00 22.88 N ATOM 569 CA LYS A1037 32.692 -19.507 3.599 1.00 22.36 C ATOM 570 C LYS A1037 33.575 -20.053 2.459 1.00 20.66 C ATOM 571 O LYS A1037 34.811 -20.010 2.545 1.00 20.88 O ATOM 572 CB LYS A1037 32.328 -20.642 4.562 1.00 19.87 C ATOM 573 CG LYS A1037 31.841 -20.069 5.914 1.00 23.19 C ATOM 574 CD LYS A1037 31.545 -21.206 6.939 1.00 25.44 C ATOM 575 CE LYS A1037 32.804 -21.977 7.283 1.00 29.84 C ATOM 576 NZ LYS A1037 32.594 -22.815 8.488 1.00 30.29 N ATOM 577 HZ1 LYS A1037 32.342 -22.206 9.293 1.00 0.00 H ATOM 578 HZ2 LYS A1037 31.824 -23.491 8.309 1.00 0.00 H ATOM 579 HZ3 LYS A1037 33.469 -23.334 8.705 1.00 0.00 H ATOM 580 H LYS A1037 30.530 -19.273 3.312 1.00 0.00 H ATOM 581 N ILE A1038 32.936 -20.518 1.379 1.00 21.41 N ATOM 582 CA ILE A1038 33.734 -20.910 0.213 1.00 21.02 C ATOM 583 C ILE A1038 34.587 -19.730 -0.230 1.00 19.77 C ATOM 584 O ILE A1038 35.822 -19.823 -0.483 1.00 22.31 O ATOM 585 CB ILE A1038 32.841 -21.350 -0.964 1.00 17.36 C ATOM 586 CG1 ILE A1038 32.082 -22.651 -0.618 1.00 19.38 C ATOM 587 CG2 ILE A1038 33.706 -21.532 -2.244 1.00 19.80 C ATOM 588 CD1 ILE A1038 30.963 -23.002 -1.670 1.00 21.36 C ATOM 589 H ILE A1038 31.899 -20.599 1.367 1.00 0.00 H ATOM 590 N ASP A1039 33.906 -18.611 -0.384 1.00 19.81 N ATOM 591 CA ASP A1039 34.545 -17.417 -0.868 1.00 22.44 C ATOM 592 C ASP A1039 35.592 -16.851 0.084 1.00 25.11 C ATOM 593 O ASP A1039 36.526 -16.160 -0.361 1.00 25.45 O ATOM 594 CB ASP A1039 33.490 -16.344 -1.173 1.00 24.50 C ATOM 595 CG ASP A1039 32.635 -16.701 -2.410 1.00 27.88 C ATOM 596 OD1 ASP A1039 33.041 -17.604 -3.164 1.00 27.56 O ATOM 597 OD2 ASP A1039 31.547 -16.099 -2.619 1.00 28.39 O ATOM 598 H ASP A1039 32.892 -18.592 -0.152 1.00 0.00 H ATOM 599 N LEU A1040 35.438 -17.119 1.374 1.00 24.28 N ATOM 600 CA LEU A1040 36.459 -16.729 2.377 1.00 24.59 C ATOM 601 C LEU A1040 37.577 -17.744 2.479 1.00 26.10 C ATOM 602 O LEU A1040 38.452 -17.614 3.349 1.00 27.19 O ATOM 603 CB LEU A1040 35.817 -16.567 3.772 1.00 23.31 C ATOM 604 CG LEU A1040 34.926 -15.340 3.847 1.00 25.57 C ATOM 605 CD1 LEU A1040 34.045 -15.457 5.103 1.00 27.94 C ATOM 606 CD2 LEU A1040 35.788 -14.120 3.902 1.00 29.40 C ATOM 607 H LEU A1040 34.580 -17.615 1.690 1.00 0.00 H ATOM 608 N HIS A1041 37.580 -18.722 1.577 1.00 22.26 N ATOM 609 CA HIS A1041 38.612 -19.774 1.529 1.00 22.35 C ATOM 610 C HIS A1041 38.667 -20.604 2.815 1.00 27.58 C ATOM 611 O HIS A1041 39.742 -20.961 3.274 1.00 27.00 O ATOM 612 CB HIS A1041 40.010 -19.171 1.247 1.00 24.86 C ATOM 613 CG HIS A1041 40.084 -18.433 -0.050 1.00 27.65 C ATOM 614 ND1 HIS A1041 41.276 -18.033 -0.613 1.00 29.49 N ATOM 615 CD2 HIS A1041 39.117 -18.084 -0.934 1.00 28.94 C ATOM 616 CE1 HIS A1041 41.035 -17.418 -1.754 1.00 32.45 C ATOM 617 NE2 HIS A1041 39.736 -17.435 -1.984 1.00 31.37 N ATOM 618 H HIS A1041 36.817 -18.746 0.871 1.00 0.00 H ATOM 619 N LYS A1042 37.513 -20.876 3.403 1.00 24.48 N ATOM 620 CA LYS A1042 37.441 -21.588 4.678 1.00 25.10 C ATOM 621 C LYS A1042 37.459 -23.087 4.464 1.00 27.23 C ATOM 622 O LYS A1042 37.695 -23.815 5.406 1.00 29.08 O ATOM 623 CB LYS A1042 36.150 -21.209 5.433 1.00 25.52 C ATOM 624 CG LYS A1042 36.118 -19.743 5.852 1.00 30.15 C ATOM 625 CD LYS A1042 37.111 -19.458 6.907 1.00 34.42 C ATOM 626 CE LYS A1042 36.789 -18.085 7.551 1.00 45.77 C ATOM 627 NZ LYS A1042 37.846 -17.736 8.519 1.00 47.45 N ATOM 628 HZ1 LYS A1042 37.891 -18.465 9.259 1.00 0.00 H ATOM 629 HZ2 LYS A1042 38.761 -17.683 8.027 1.00 0.00 H ATOM 630 HZ3 LYS A1042 37.629 -16.815 8.950 1.00 0.00 H ATOM 631 H LYS A1042 36.630 -20.574 2.944 1.00 0.00 H ATOM 632 N TYR A1043 37.171 -23.552 3.245 1.00 22.89 N ATOM 633 CA TYR A1043 37.172 -24.981 2.954 1.00 22.41 C ATOM 634 C TYR A1043 38.380 -25.345 2.124 1.00 27.28 C ATOM 635 O TYR A1043 38.467 -24.937 0.948 1.00 28.24 O ATOM 636 CB TYR A1043 35.943 -25.389 2.192 1.00 19.49 C ATOM 637 CG TYR A1043 34.650 -25.012 2.897 1.00 21.80 C ATOM 638 CD1 TYR A1043 34.385 -25.439 4.213 1.00 21.60 C ATOM 639 CD2 TYR A1043 33.679 -24.260 2.230 1.00 21.57 C ATOM 640 CE1 TYR A1043 33.135 -25.087 4.850 1.00 21.26 C ATOM 641 CE2 TYR A1043 32.466 -23.914 2.859 1.00 22.58 C ATOM 642 CZ TYR A1043 32.208 -24.343 4.145 1.00 20.97 C ATOM 643 OH TYR A1043 31.027 -23.986 4.749 1.00 20.72 O ATOM 644 HH TYR A1043 30.995 -24.370 5.661 1.00 0.00 H ATOM 645 H TYR A1043 36.941 -22.879 2.486 1.00 0.00 H ATOM 646 N LEU A1044 39.289 -26.120 2.699 1.00 22.48 N ATOM 647 CA LEU A1044 40.460 -26.540 1.925 1.00 22.40 C ATOM 648 C LEU A1044 40.314 -27.970 1.463 1.00 24.64 C ATOM 649 O LEU A1044 41.166 -28.470 0.755 1.00 24.31 O ATOM 650 CB LEU A1044 41.743 -26.423 2.753 1.00 25.74 C ATOM 651 CG LEU A1044 42.154 -25.031 3.254 1.00 33.21 C ATOM 652 CD1 LEU A1044 43.635 -25.072 3.692 1.00 34.41 C ATOM 653 CD2 LEU A1044 41.908 -23.926 2.268 1.00 32.86 C ATOM 654 H LEU A1044 39.172 -26.426 3.686 1.00 0.00 H ATOM 655 N THR A1045 39.290 -28.652 1.953 1.00 23.10 N ATOM 656 CA THR A1045 39.016 -30.006 1.521 1.00 22.38 C ATOM 657 C THR A1045 37.526 -30.229 1.430 1.00 23.25 C ATOM 658 O THR A1045 36.713 -29.447 2.007 1.00 22.89 O ATOM 659 CB THR A1045 39.585 -31.079 2.478 1.00 24.47 C ATOM 660 OG1 THR A1045 38.827 -31.077 3.694 1.00 25.12 O ATOM 661 CG2 THR A1045 41.010 -30.843 2.804 1.00 23.36 C ATOM 662 HG1 THR A1045 39.189 -31.763 4.309 1.00 0.00 H ATOM 663 H THR A1045 38.672 -28.207 2.661 1.00 0.00 H ATOM 664 N VAL A1046 37.103 -31.275 0.727 1.00 22.30 N ATOM 665 CA VAL A1046 35.665 -31.547 0.663 1.00 24.94 C ATOM 666 C VAL A1046 35.164 -31.995 2.042 1.00 22.23 C ATOM 667 O VAL A1046 34.009 -31.786 2.431 1.00 21.75 O ATOM 668 CB VAL A1046 35.341 -32.593 -0.415 1.00 27.74 C ATOM 669 CG1 VAL A1046 33.889 -33.043 -0.331 1.00 24.11 C ATOM 670 CG2 VAL A1046 35.629 -32.004 -1.782 1.00 27.17 C ATOM 671 H VAL A1046 37.781 -31.889 0.232 1.00 0.00 H ATOM 672 N LYS A1047 36.052 -32.580 2.824 1.00 27.47 N ATOM 673 CA LYS A1047 35.658 -32.934 4.205 1.00 30.44 C ATOM 674 C LYS A1047 35.231 -31.733 5.054 1.00 30.01 C ATOM 675 O LYS A1047 34.252 -31.809 5.819 1.00 29.17 O ATOM 676 CB LYS A1047 36.819 -33.631 4.942 1.00 35.99 C ATOM 677 CG LYS A1047 36.829 -35.102 4.856 1.00 40.58 C ATOM 678 CD LYS A1047 37.922 -35.688 5.796 1.00 41.83 C ATOM 679 H LYS A1047 37.010 -32.788 2.476 1.00 0.00 H ATOM 680 N ASP A1048 35.977 -30.639 4.934 1.00 28.56 N ATOM 681 CA ASP A1048 35.664 -29.410 5.662 1.00 28.65 C ATOM 682 C ASP A1048 34.242 -28.933 5.248 1.00 26.70 C ATOM 683 O ASP A1048 33.426 -28.450 6.053 1.00 24.38 O ATOM 684 CB ASP A1048 36.672 -28.277 5.305 1.00 29.48 C ATOM 685 CG ASP A1048 38.095 -28.474 5.835 1.00 39.88 C ATOM 686 OD1 ASP A1048 38.298 -29.323 6.733 1.00 41.49 O ATOM 687 OD2 ASP A1048 38.993 -27.682 5.335 1.00 37.10 O ATOM 688 H ASP A1048 36.805 -30.658 4.305 1.00 0.00 H ATOM 689 N TYR A1049 34.002 -29.007 3.939 1.00 22.29 N ATOM 690 CA TYR A1049 32.693 -28.616 3.370 1.00 21.53 C ATOM 691 C TYR A1049 31.565 -29.494 3.895 1.00 22.93 C ATOM 692 O TYR A1049 30.529 -28.999 4.369 1.00 21.68 O ATOM 693 CB TYR A1049 32.778 -28.717 1.841 1.00 22.82 C ATOM 694 CG TYR A1049 31.471 -28.469 1.120 1.00 19.04 C ATOM 695 CD1 TYR A1049 31.048 -27.159 0.852 1.00 19.74 C ATOM 696 CD2 TYR A1049 30.703 -29.554 0.655 1.00 20.71 C ATOM 697 CE1 TYR A1049 29.831 -26.934 0.134 1.00 18.48 C ATOM 698 CE2 TYR A1049 29.487 -29.349 -0.007 1.00 19.61 C ATOM 699 CZ TYR A1049 29.092 -28.063 -0.291 1.00 20.72 C ATOM 700 OH TYR A1049 27.906 -27.872 -0.997 1.00 20.06 O ATOM 701 HH TYR A1049 27.753 -26.903 -1.126 1.00 0.00 H ATOM 702 H TYR A1049 34.751 -29.347 3.303 1.00 0.00 H ATOM 703 N LEU A1050 31.759 -30.805 3.823 1.00 23.02 N ATOM 704 CA LEU A1050 30.697 -31.710 4.278 1.00 22.93 C ATOM 705 C LEU A1050 30.424 -31.577 5.769 1.00 24.12 C ATOM 706 O LEU A1050 29.302 -31.863 6.206 1.00 24.16 O ATOM 707 CB LEU A1050 31.025 -33.167 3.929 1.00 23.40 C ATOM 708 CG LEU A1050 30.881 -33.370 2.419 1.00 23.49 C ATOM 709 CD1 LEU A1050 31.454 -34.739 2.111 1.00 28.92 C ATOM 710 CD2 LEU A1050 29.403 -33.250 1.991 1.00 25.81 C ATOM 711 H LEU A1050 32.652 -31.186 3.449 1.00 0.00 H ATOM 712 N ARG A1051 31.425 -31.164 6.546 1.00 22.90 N ATOM 713 CA ARG A1051 31.173 -30.889 7.961 1.00 25.76 C ATOM 714 C ARG A1051 30.074 -29.839 8.126 1.00 25.03 C ATOM 715 O ARG A1051 29.192 -29.955 9.005 1.00 24.39 O ATOM 716 CB ARG A1051 32.474 -30.452 8.652 1.00 29.12 C ATOM 717 CG ARG A1051 32.355 -30.265 10.115 1.00 37.08 C ATOM 718 CD ARG A1051 33.806 -30.047 10.681 1.00 56.95 C ATOM 719 NE ARG A1051 34.707 -31.111 10.218 1.00 60.46 N ATOM 720 CZ ARG A1051 35.795 -30.942 9.461 1.00 63.24 C ATOM 721 NH1 ARG A1051 36.173 -29.713 9.066 1.00 64.80 N ATOM 722 NH2 ARG A1051 36.520 -32.015 9.114 1.00 62.10 N ATOM 723 HE ARG A1051 34.477 -32.084 10.505 1.00 0.00 H ATOM 724 HH12 ARG A1051 37.022 -29.594 8.477 1.00 0.00 H ATOM 725 HH11 ARG A1051 35.616 -28.882 9.350 1.00 0.00 H ATOM 726 HH22 ARG A1051 37.370 -31.900 8.525 1.00 0.00 H ATOM 727 HH21 ARG A1051 36.233 -32.962 9.434 1.00 0.00 H ATOM 728 H ARG A1051 32.378 -31.038 6.150 1.00 0.00 H ATOM 729 N ASP A1052 30.043 -28.849 7.243 1.00 23.12 N ATOM 730 CA ASP A1052 29.022 -27.788 7.386 1.00 21.78 C ATOM 731 C ASP A1052 27.686 -28.235 6.809 1.00 22.02 C ATOM 732 O ASP A1052 26.615 -27.913 7.352 1.00 23.26 O ATOM 733 CB ASP A1052 29.527 -26.464 6.723 1.00 21.39 C ATOM 734 CG ASP A1052 30.353 -25.618 7.660 1.00 27.06 C ATOM 735 OD1 ASP A1052 30.336 -25.882 8.885 1.00 28.07 O ATOM 736 OD2 ASP A1052 31.015 -24.644 7.209 1.00 26.54 O ATOM 737 H ASP A1052 30.728 -28.819 6.461 1.00 0.00 H ATOM 738 N ILE A1053 27.718 -29.023 5.736 1.00 19.87 N ATOM 739 CA ILE A1053 26.465 -29.620 5.247 1.00 19.87 C ATOM 740 C ILE A1053 25.854 -30.491 6.344 1.00 21.01 C ATOM 741 O ILE A1053 24.665 -30.433 6.660 1.00 22.55 O ATOM 742 CB ILE A1053 26.721 -30.496 3.963 1.00 20.79 C ATOM 743 CG1 ILE A1053 27.202 -29.617 2.807 1.00 20.27 C ATOM 744 CG2 ILE A1053 25.415 -31.242 3.588 1.00 22.48 C ATOM 745 CD1 ILE A1053 26.318 -28.338 2.495 1.00 21.39 C ATOM 746 H ILE A1053 28.617 -29.214 5.250 1.00 0.00 H ATOM 747 N ASP A1054 26.691 -31.307 6.974 1.00 20.30 N ATOM 748 CA ASP A1054 26.193 -32.128 8.053 1.00 21.08 C ATOM 749 C ASP A1054 25.620 -31.310 9.202 1.00 25.07 C ATOM 750 O ASP A1054 24.699 -31.758 9.896 1.00 24.28 O ATOM 751 CB ASP A1054 27.326 -33.026 8.562 1.00 23.82 C ATOM 752 CG ASP A1054 27.534 -34.272 7.673 1.00 29.42 C ATOM 753 OD1 ASP A1054 26.553 -34.853 7.177 1.00 31.63 O ATOM 754 OD2 ASP A1054 28.660 -34.733 7.562 1.00 31.84 O ATOM 755 H ASP A1054 27.692 -31.354 6.694 1.00 0.00 H ATOM 756 N LEU A1055 26.216 -30.149 9.453 1.00 20.49 N ATOM 757 CA LEU A1055 25.766 -29.282 10.524 1.00 21.32 C ATOM 758 C LEU A1055 24.371 -28.704 10.197 1.00 23.61 C ATOM 759 O LEU A1055 23.489 -28.603 11.069 1.00 24.91 O ATOM 760 CB LEU A1055 26.808 -28.174 10.701 1.00 25.63 C ATOM 761 CG LEU A1055 26.680 -27.209 11.841 1.00 31.69 C ATOM 762 CD1 LEU A1055 26.561 -27.924 13.242 1.00 30.06 C ATOM 763 CD2 LEU A1055 27.908 -26.255 11.807 1.00 30.51 C ATOM 764 H LEU A1055 27.024 -29.856 8.867 1.00 0.00 H ATOM 765 N ILE A1056 24.164 -28.357 8.926 1.00 24.02 N ATOM 766 CA ILE A1056 22.816 -27.937 8.512 1.00 23.61 C ATOM 767 C ILE A1056 21.810 -29.000 8.873 1.00 24.03 C ATOM 768 O ILE A1056 20.736 -28.716 9.472 1.00 22.46 O ATOM 769 CB ILE A1056 22.749 -27.619 7.018 1.00 23.61 C ATOM 770 CG1 ILE A1056 23.620 -26.377 6.735 1.00 22.84 C ATOM 771 CG2 ILE A1056 21.264 -27.356 6.617 1.00 24.27 C ATOM 772 CD1 ILE A1056 23.737 -26.019 5.180 1.00 24.64 C ATOM 773 H ILE A1056 24.943 -28.383 8.238 1.00 0.00 H ATOM 774 N CYS A1057 22.152 -30.244 8.549 1.00 22.41 N ATOM 775 CA CYS A1057 21.252 -31.355 8.799 1.00 21.61 C ATOM 776 C CYS A1057 21.100 -31.648 10.289 1.00 24.03 C ATOM 777 O CYS A1057 19.980 -31.757 10.776 1.00 24.18 O ATOM 778 CB CYS A1057 21.721 -32.614 8.048 1.00 19.87 C ATOM 779 SG CYS A1057 20.709 -34.072 8.318 1.00 26.82 S ATOM 780 H CYS A1057 23.078 -30.423 8.110 1.00 0.00 H ATOM 781 N SER A1058 22.204 -31.782 11.022 1.00 20.77 N ATOM 782 CA SER A1058 22.044 -32.140 12.417 1.00 23.03 C ATOM 783 C SER A1058 21.335 -31.010 13.193 1.00 25.45 C ATOM 784 O SER A1058 20.579 -31.297 14.105 1.00 24.61 O ATOM 785 CB SER A1058 23.417 -32.482 13.040 1.00 27.80 C ATOM 786 OG SER A1058 24.278 -31.363 12.968 1.00 33.32 O ATOM 787 HG SER A1058 23.876 -30.606 13.464 1.00 0.00 H ATOM 788 H SER A1058 23.147 -31.635 10.608 1.00 0.00 H ATOM 789 N ASN A1059 21.588 -29.737 12.858 1.00 23.91 N ATOM 790 CA ASN A1059 20.889 -28.640 13.531 1.00 25.51 C ATOM 791 C ASN A1059 19.370 -28.817 13.355 1.00 24.20 C ATOM 792 O ASN A1059 18.586 -28.626 14.279 1.00 25.37 O ATOM 793 CB ASN A1059 21.288 -27.277 12.949 1.00 24.78 C ATOM 794 CG ASN A1059 22.657 -26.817 13.404 1.00 27.78 C ATOM 795 OD1 ASN A1059 23.235 -27.318 14.377 1.00 27.66 O ATOM 796 ND2 ASN A1059 23.154 -25.804 12.728 1.00 27.29 N ATOM 797 HD22 ASN A1059 22.633 -25.415 11.916 1.00 0.00 H ATOM 798 HD21 ASN A1059 24.068 -25.392 13.005 1.00 0.00 H ATOM 799 H ASN A1059 22.285 -29.527 12.115 1.00 0.00 H ATOM 800 N ALA A1060 18.968 -29.189 12.150 1.00 22.14 N ATOM 801 CA ALA A1060 17.522 -29.333 11.890 1.00 22.18 C ATOM 802 C ALA A1060 16.959 -30.512 12.674 1.00 24.45 C ATOM 803 O ALA A1060 15.827 -30.453 13.183 1.00 24.52 O ATOM 804 CB ALA A1060 17.273 -29.479 10.358 1.00 20.61 C ATOM 805 H ALA A1060 19.661 -29.377 11.397 1.00 0.00 H ATOM 806 N LEU A1061 17.719 -31.595 12.777 1.00 25.37 N ATOM 807 CA LEU A1061 17.214 -32.745 13.529 1.00 26.75 C ATOM 808 C LEU A1061 17.109 -32.419 15.005 1.00 29.33 C ATOM 809 O LEU A1061 16.206 -32.899 15.686 1.00 29.96 O ATOM 810 CB LEU A1061 18.107 -33.966 13.347 1.00 30.38 C ATOM 811 CG LEU A1061 18.371 -34.468 11.907 1.00 32.78 C ATOM 812 CD1 LEU A1061 19.105 -35.805 11.904 1.00 37.22 C ATOM 813 CD2 LEU A1061 17.127 -34.571 11.049 1.00 30.30 C ATOM 814 H LEU A1061 18.658 -31.626 12.331 1.00 0.00 H ATOM 815 N GLU A1062 18.082 -31.660 15.506 1.00 26.26 N ATOM 816 CA GLU A1062 18.120 -31.323 16.931 1.00 29.59 C ATOM 817 C GLU A1062 17.024 -30.321 17.279 1.00 28.49 C ATOM 818 O GLU A1062 16.318 -30.460 18.291 1.00 28.28 O ATOM 819 CB GLU A1062 19.528 -30.780 17.284 1.00 29.19 C ATOM 820 CG GLU A1062 19.645 -30.185 18.695 1.00 41.00 C ATOM 821 CD GLU A1062 21.032 -29.529 18.890 1.00 49.74 C ATOM 822 OE1 GLU A1062 21.211 -28.788 19.893 1.00 57.45 O ATOM 823 OE2 GLU A1062 21.907 -29.749 18.000 1.00 52.03 O ATOM 824 H GLU A1062 18.827 -31.301 14.875 1.00 0.00 H ATOM 825 N TYR A1063 16.830 -29.324 16.427 1.00 27.54 N ATOM 826 CA TYR A1063 15.889 -28.259 16.780 1.00 28.32 C ATOM 827 C TYR A1063 14.423 -28.714 16.578 1.00 28.38 C ATOM 828 O TYR A1063 13.492 -28.164 17.198 1.00 27.65 O ATOM 829 CB TYR A1063 16.149 -27.006 15.936 1.00 29.71 C ATOM 830 CG TYR A1063 15.354 -25.839 16.444 1.00 33.67 C ATOM 831 CD1 TYR A1063 15.753 -25.147 17.586 1.00 37.35 C ATOM 832 CD2 TYR A1063 14.148 -25.477 15.831 1.00 36.37 C ATOM 833 CE1 TYR A1063 14.984 -24.091 18.093 1.00 39.68 C ATOM 834 CE2 TYR A1063 13.383 -24.426 16.329 1.00 39.66 C ATOM 835 CZ TYR A1063 13.808 -23.751 17.453 1.00 42.45 C ATOM 836 OH TYR A1063 13.069 -22.720 17.943 1.00 47.08 O ATOM 837 HH TYR A1063 13.513 -22.350 18.746 1.00 0.00 H ATOM 838 H TYR A1063 17.339 -29.299 15.520 1.00 0.00 H ATOM 839 N ASN A1064 14.233 -29.688 15.698 1.00 27.14 N ATOM 840 CA ASN A1064 12.853 -30.119 15.323 1.00 28.60 C ATOM 841 C ASN A1064 12.647 -31.600 15.524 1.00 26.73 C ATOM 842 O ASN A1064 12.508 -32.323 14.549 1.00 26.64 O ATOM 843 CB ASN A1064 12.560 -29.797 13.846 1.00 28.21 C ATOM 844 CG ASN A1064 12.898 -28.355 13.479 1.00 31.43 C ATOM 845 OD1 ASN A1064 12.101 -27.429 13.716 1.00 29.27 O ATOM 846 ND2 ASN A1064 14.097 -28.148 12.898 1.00 28.11 N ATOM 847 HD22 ASN A1064 14.733 -28.951 12.718 1.00 0.00 H ATOM 848 HD21 ASN A1064 14.386 -27.185 12.630 1.00 0.00 H ATOM 849 H ASN A1064 15.054 -30.157 15.264 1.00 0.00 H ATOM 850 N PRO A1065 12.650 -32.066 16.776 1.00 27.64 N ATOM 851 CA PRO A1065 12.735 -33.500 17.033 1.00 30.42 C ATOM 852 C PRO A1065 11.391 -34.179 17.178 1.00 32.74 C ATOM 853 O PRO A1065 11.398 -35.385 17.431 1.00 35.30 O ATOM 854 CB PRO A1065 13.463 -33.543 18.399 1.00 29.07 C ATOM 855 CG PRO A1065 12.880 -32.379 19.108 1.00 34.72 C ATOM 856 CD PRO A1065 12.821 -31.302 18.027 1.00 29.00 C ATOM 857 N ASP A1066 10.291 -33.433 17.063 1.00 31.18 N ATOM 858 CA ASP A1066 8.981 -33.929 17.507 1.00 34.07 C ATOM 859 C ASP A1066 8.282 -34.784 16.446 1.00 33.17 C ATOM 860 O ASP A1066 8.716 -34.788 15.279 1.00 27.53 O ATOM 861 CB ASP A1066 8.088 -32.746 17.897 1.00 34.67 C ATOM 862 CG ASP A1066 8.584 -32.020 19.159 1.00 43.12 C ATOM 863 OD1 ASP A1066 9.418 -32.598 19.876 1.00 39.05 O ATOM 864 OD2 ASP A1066 8.106 -30.900 19.440 1.00 49.18 O ATOM 865 H ASP A1066 10.362 -32.481 16.651 1.00 0.00 H ATOM 866 N ARG A1067 7.201 -35.486 16.820 1.00 31.21 N ATOM 867 CA ARG A1067 6.529 -36.349 15.833 1.00 29.32 C ATOM 868 C ARG A1067 5.581 -35.561 14.929 1.00 31.92 C ATOM 869 O ARG A1067 5.023 -36.114 13.943 1.00 27.99 O ATOM 870 CB ARG A1067 5.711 -37.476 16.528 1.00 29.32 C ATOM 871 CG ARG A1067 4.486 -36.954 17.370 1.00 30.52 C ATOM 872 CD ARG A1067 3.078 -37.091 16.723 1.00 30.55 C ATOM 873 NE ARG A1067 2.928 -38.135 15.705 1.00 29.88 N ATOM 874 CZ ARG A1067 2.172 -38.029 14.593 1.00 33.56 C ATOM 875 NH1 ARG A1067 1.532 -36.890 14.322 1.00 29.76 N ATOM 876 NH2 ARG A1067 2.080 -39.067 13.720 1.00 29.62 N ATOM 877 HE ARG A1067 3.444 -39.026 15.851 1.00 0.00 H ATOM 878 HH12 ARG A1067 0.950 -36.812 13.464 1.00 0.00 H ATOM 879 HH11 ARG A1067 1.615 -36.080 14.969 1.00 0.00 H ATOM 880 HH22 ARG A1067 1.495 -38.977 12.865 1.00 0.00 H ATOM 881 HH21 ARG A1067 2.595 -39.951 13.907 1.00 0.00 H ATOM 882 H ARG A1067 6.842 -35.422 17.794 1.00 0.00 H ATOM 883 N ASP A1068 5.389 -34.274 15.220 1.00 28.94 N ATOM 884 CA ASP A1068 4.400 -33.532 14.419 1.00 34.07 C ATOM 885 C ASP A1068 4.861 -33.364 12.952 1.00 28.39 C ATOM 886 O ASP A1068 6.056 -33.444 12.656 1.00 27.60 O ATOM 887 CB ASP A1068 4.074 -32.179 15.027 1.00 38.21 C ATOM 888 CG ASP A1068 5.203 -31.259 14.980 1.00 47.77 C ATOM 889 OD1 ASP A1068 5.981 -31.272 15.945 1.00 54.80 O ATOM 890 OD2 ASP A1068 5.331 -30.521 13.984 1.00 52.69 O ATOM 891 H ASP A1068 5.919 -33.810 15.985 1.00 0.00 H ATOM 892 N PRO A1069 3.896 -33.182 12.033 1.00 26.23 N ATOM 893 CA PRO A1069 4.283 -33.231 10.613 1.00 23.65 C ATOM 894 C PRO A1069 5.182 -32.082 10.198 1.00 22.44 C ATOM 895 O PRO A1069 6.018 -32.270 9.280 1.00 22.61 O ATOM 896 CB PRO A1069 2.948 -33.147 9.853 1.00 26.36 C ATOM 897 CG PRO A1069 1.906 -32.984 10.849 1.00 26.23 C ATOM 898 CD PRO A1069 2.439 -33.232 12.237 1.00 25.38 C ATOM 899 N GLY A1070 5.083 -30.925 10.860 1.00 22.92 N ATOM 900 CA GLY A1070 6.033 -29.864 10.506 1.00 26.91 C ATOM 901 C GLY A1070 7.488 -30.221 10.797 1.00 27.62 C ATOM 902 O GLY A1070 8.428 -29.967 9.979 1.00 23.28 O ATOM 903 H GLY A1070 4.362 -30.783 11.596 1.00 0.00 H ATOM 904 N ASP A1071 7.693 -30.833 11.964 1.00 26.15 N ATOM 905 CA ASP A1071 9.023 -31.332 12.349 1.00 26.20 C ATOM 906 C ASP A1071 9.448 -32.482 11.449 1.00 25.31 C ATOM 907 O ASP A1071 10.611 -32.561 11.008 1.00 24.48 O ATOM 908 CB ASP A1071 9.050 -31.805 13.828 1.00 26.59 C ATOM 909 CG ASP A1071 9.191 -30.646 14.826 1.00 32.72 C ATOM 910 OD1 ASP A1071 8.782 -29.498 14.471 1.00 36.59 O ATOM 911 OD2 ASP A1071 9.736 -30.890 15.942 1.00 31.52 O ATOM 912 H ASP A1071 6.894 -30.961 12.618 1.00 0.00 H ATOM 913 N ARG A1072 8.543 -33.400 11.174 1.00 23.25 N ATOM 914 CA ARG A1072 8.946 -34.549 10.368 1.00 23.33 C ATOM 915 C ARG A1072 9.292 -34.132 8.948 1.00 25.14 C ATOM 916 O ARG A1072 10.220 -34.702 8.348 1.00 23.47 O ATOM 917 CB ARG A1072 7.870 -35.652 10.395 1.00 25.51 C ATOM 918 CG ARG A1072 7.927 -36.431 11.726 1.00 26.97 C ATOM 919 CD ARG A1072 6.904 -37.629 11.770 1.00 32.86 C ATOM 920 NE ARG A1072 7.246 -38.518 12.899 1.00 42.72 N ATOM 921 CZ ARG A1072 6.395 -39.354 13.502 1.00 51.39 C ATOM 922 NH1 ARG A1072 5.135 -39.419 13.103 1.00 50.25 N ATOM 923 NH2 ARG A1072 6.795 -40.115 14.525 1.00 57.13 N ATOM 924 HE ARG A1072 8.224 -38.491 13.252 1.00 0.00 H ATOM 925 HH12 ARG A1072 4.474 -40.070 13.573 1.00 0.00 H ATOM 926 HH11 ARG A1072 4.806 -38.819 12.320 1.00 0.00 H ATOM 927 HH22 ARG A1072 6.123 -40.762 14.986 1.00 0.00 H ATOM 928 HH21 ARG A1072 7.778 -40.061 14.860 1.00 0.00 H ATOM 929 H ARG A1072 7.567 -33.308 11.522 1.00 0.00 H ATOM 930 N LEU A1073 8.579 -33.134 8.420 1.00 24.63 N ATOM 931 CA LEU A1073 8.895 -32.642 7.077 1.00 23.17 C ATOM 932 C LEU A1073 10.290 -32.003 7.032 1.00 24.21 C ATOM 933 O LEU A1073 11.078 -32.301 6.124 1.00 20.70 O ATOM 934 CB LEU A1073 7.841 -31.651 6.613 1.00 20.04 C ATOM 935 CG LEU A1073 8.107 -30.972 5.274 1.00 21.82 C ATOM 936 CD1 LEU A1073 8.170 -32.022 4.175 1.00 21.21 C ATOM 937 CD2 LEU A1073 6.939 -29.978 5.009 1.00 22.95 C ATOM 938 H LEU A1073 7.801 -32.707 8.961 1.00 0.00 H ATOM 939 N ILE A1074 10.598 -31.127 7.974 1.00 22.34 N ATOM 940 CA ILE A1074 11.929 -30.516 7.902 1.00 22.74 C ATOM 941 C ILE A1074 13.031 -31.555 8.153 1.00 24.34 C ATOM 942 O ILE A1074 14.110 -31.487 7.531 1.00 23.58 O ATOM 943 CB ILE A1074 12.040 -29.298 8.844 1.00 21.76 C ATOM 944 CG1 ILE A1074 13.353 -28.545 8.563 1.00 24.20 C ATOM 945 CG2 ILE A1074 12.023 -29.715 10.317 1.00 24.87 C ATOM 946 CD1 ILE A1074 13.400 -27.161 9.211 1.00 28.80 C ATOM 947 H ILE A1074 9.927 -30.883 8.730 1.00 0.00 H ATOM 948 N ARG A1075 12.808 -32.536 9.030 1.00 21.21 N ATOM 949 CA ARG A1075 13.875 -33.565 9.198 1.00 22.28 C ATOM 950 C ARG A1075 14.071 -34.351 7.927 1.00 23.27 C ATOM 951 O ARG A1075 15.183 -34.722 7.539 1.00 22.63 O ATOM 952 CB ARG A1075 13.508 -34.520 10.359 1.00 23.17 C ATOM 953 CG ARG A1075 13.599 -33.804 11.737 1.00 23.14 C ATOM 954 CD ARG A1075 13.800 -34.819 12.878 1.00 29.20 C ATOM 955 NE ARG A1075 12.843 -35.931 12.889 1.00 31.38 N ATOM 956 CZ ARG A1075 11.652 -35.897 13.471 1.00 31.59 C ATOM 957 NH1 ARG A1075 11.268 -34.795 14.080 1.00 30.53 N ATOM 958 NH2 ARG A1075 10.840 -36.964 13.466 1.00 34.28 N ATOM 959 HE ARG A1075 13.119 -36.809 12.405 1.00 0.00 H ATOM 960 HH12 ARG A1075 10.337 -34.753 14.541 1.00 0.00 H ATOM 961 HH11 ARG A1075 11.896 -33.966 14.100 1.00 0.00 H ATOM 962 HH22 ARG A1075 9.910 -36.912 13.930 1.00 0.00 H ATOM 963 HH21 ARG A1075 11.140 -37.843 12.999 1.00 0.00 H ATOM 964 H ARG A1075 11.924 -32.581 9.576 1.00 0.00 H ATOM 965 N HIS A1076 12.961 -34.677 7.280 1.00 22.21 N ATOM 966 CA HIS A1076 13.095 -35.433 6.028 1.00 22.02 C ATOM 967 C HIS A1076 13.863 -34.616 4.995 1.00 22.35 C ATOM 968 O HIS A1076 14.731 -35.161 4.257 1.00 23.33 O ATOM 969 CB HIS A1076 11.693 -35.837 5.509 1.00 22.42 C ATOM 970 CG HIS A1076 11.724 -36.802 4.354 1.00 24.44 C ATOM 971 ND1 HIS A1076 11.737 -36.399 3.042 1.00 24.24 N ATOM 972 CD2 HIS A1076 11.756 -38.152 4.331 1.00 26.93 C ATOM 973 CE1 HIS A1076 11.795 -37.458 2.248 1.00 25.95 C ATOM 974 NE2 HIS A1076 11.782 -38.542 3.015 1.00 26.86 N ATOM 975 H HIS A1076 12.026 -34.406 7.647 1.00 0.00 H ATOM 976 N ARG A1077 13.592 -33.318 4.957 1.00 19.94 N ATOM 977 CA ARG A1077 14.287 -32.449 3.996 1.00 20.11 C ATOM 978 C ARG A1077 15.741 -32.301 4.354 1.00 22.15 C ATOM 979 O ARG A1077 16.609 -32.216 3.476 1.00 21.55 O ATOM 980 CB ARG A1077 13.639 -31.079 3.964 1.00 18.42 C ATOM 981 CG ARG A1077 12.259 -31.150 3.271 1.00 19.36 C ATOM 982 CD ARG A1077 11.534 -29.823 3.436 1.00 21.49 C ATOM 983 NE ARG A1077 10.392 -29.690 2.498 1.00 23.74 N ATOM 984 CZ ARG A1077 9.521 -28.692 2.524 1.00 24.99 C ATOM 985 NH1 ARG A1077 9.591 -27.763 3.454 1.00 23.53 N ATOM 986 NH2 ARG A1077 8.549 -28.656 1.626 1.00 23.06 N ATOM 987 HE ARG A1077 10.267 -30.427 1.775 1.00 0.00 H ATOM 988 HH12 ARG A1077 8.902 -26.984 3.464 1.00 0.00 H ATOM 989 HH11 ARG A1077 10.336 -27.808 4.179 1.00 0.00 H ATOM 990 HH22 ARG A1077 7.860 -27.877 1.637 1.00 0.00 H ATOM 991 HH21 ARG A1077 8.475 -29.406 0.910 1.00 0.00 H ATOM 992 H ARG A1077 12.888 -32.915 5.607 1.00 0.00 H ATOM 993 N ALA A1078 15.999 -32.236 5.649 1.00 22.25 N ATOM 994 CA ALA A1078 17.388 -32.110 6.132 1.00 22.43 C ATOM 995 C ALA A1078 18.219 -33.315 5.759 1.00 23.27 C ATOM 996 O ALA A1078 19.383 -33.173 5.303 1.00 24.01 O ATOM 997 CB ALA A1078 17.384 -31.914 7.674 1.00 22.15 C ATOM 998 H ALA A1078 15.217 -32.274 6.333 1.00 0.00 H ATOM 999 N CYS A1079 17.643 -34.506 5.946 1.00 23.00 N ATOM 1000 CA CYS A1079 18.320 -35.744 5.618 1.00 23.75 C ATOM 1001 C CYS A1079 18.502 -35.822 4.109 1.00 23.40 C ATOM 1002 O CYS A1079 19.504 -36.356 3.635 1.00 23.30 O ATOM 1003 CB CYS A1079 17.516 -36.954 6.103 1.00 27.79 C ATOM 1004 SG CYS A1079 17.632 -37.149 7.927 1.00 32.75 S ATOM 1005 H CYS A1079 16.681 -34.545 6.338 1.00 0.00 H ATOM 1006 N ALA A1080 17.500 -35.354 3.356 1.00 20.80 N ATOM 1007 CA ALA A1080 17.620 -35.344 1.882 1.00 20.42 C ATOM 1008 C ALA A1080 18.735 -34.401 1.428 1.00 23.60 C ATOM 1009 O ALA A1080 19.453 -34.684 0.468 1.00 23.43 O ATOM 1010 CB ALA A1080 16.247 -34.940 1.194 1.00 20.67 C ATOM 1011 H ALA A1080 16.635 -34.996 3.808 1.00 0.00 H ATOM 1012 N LEU A1081 18.880 -33.281 2.114 1.00 22.93 N ATOM 1013 CA LEU A1081 19.920 -32.310 1.742 1.00 20.55 C ATOM 1014 C LEU A1081 21.257 -32.968 1.912 1.00 22.20 C ATOM 1015 O LEU A1081 22.147 -32.919 1.007 1.00 19.93 O ATOM 1016 CB LEU A1081 19.826 -31.057 2.609 1.00 20.43 C ATOM 1017 CG LEU A1081 21.028 -30.084 2.461 1.00 26.92 C ATOM 1018 CD1 LEU A1081 20.850 -29.277 1.215 1.00 28.32 C ATOM 1019 CD2 LEU A1081 21.180 -29.160 3.662 1.00 30.96 C ATOM 1020 H LEU A1081 18.255 -33.085 2.922 1.00 0.00 H ATOM 1021 N ARG A1082 21.401 -33.605 3.068 1.00 20.64 N ATOM 1022 CA ARG A1082 22.658 -34.282 3.426 1.00 20.19 C ATOM 1023 C ARG A1082 22.964 -35.421 2.427 1.00 20.76 C ATOM 1024 O ARG A1082 24.073 -35.508 1.859 1.00 21.48 O ATOM 1025 CB ARG A1082 22.531 -34.844 4.833 1.00 23.05 C ATOM 1026 CG ARG A1082 23.766 -35.644 5.335 1.00 25.22 C ATOM 1027 CD ARG A1082 23.307 -36.599 6.519 1.00 34.74 C ATOM 1028 NE ARG A1082 22.272 -37.564 6.048 1.00 38.64 N ATOM 1029 CZ ARG A1082 21.388 -38.210 6.819 1.00 42.65 C ATOM 1030 NH1 ARG A1082 21.329 -38.001 8.145 1.00 43.42 N ATOM 1031 NH2 ARG A1082 20.529 -39.064 6.258 1.00 41.81 N ATOM 1032 HE ARG A1082 22.233 -37.753 5.026 1.00 0.00 H ATOM 1033 HH12 ARG A1082 20.633 -38.515 8.722 1.00 0.00 H ATOM 1034 HH11 ARG A1082 21.979 -37.325 8.594 1.00 0.00 H ATOM 1035 HH22 ARG A1082 19.839 -39.570 6.848 1.00 0.00 H ATOM 1036 HH21 ARG A1082 20.550 -39.223 5.230 1.00 0.00 H ATOM 1037 H ARG A1082 20.605 -33.626 3.738 1.00 0.00 H ATOM 1038 N ASP A1083 21.986 -36.301 2.213 1.00 23.19 N ATOM 1039 CA ASP A1083 22.161 -37.416 1.270 1.00 21.94 C ATOM 1040 C ASP A1083 22.453 -36.947 -0.143 1.00 22.58 C ATOM 1041 O ASP A1083 23.341 -37.536 -0.823 1.00 23.97 O ATOM 1042 CB ASP A1083 20.927 -38.301 1.243 1.00 24.37 C ATOM 1043 CG ASP A1083 20.711 -39.031 2.563 1.00 32.52 C ATOM 1044 OD1 ASP A1083 21.604 -38.983 3.439 1.00 30.55 O ATOM 1045 OD2 ASP A1083 19.628 -39.634 2.715 1.00 33.41 O ATOM 1046 H ASP A1083 21.085 -36.197 2.721 1.00 0.00 H ATOM 1047 N THR A1084 21.753 -35.889 -0.571 1.00 20.53 N ATOM 1048 CA THR A1084 21.952 -35.376 -1.902 1.00 20.96 C ATOM 1049 C THR A1084 23.382 -34.842 -2.078 1.00 22.53 C ATOM 1050 O THR A1084 24.028 -35.086 -3.108 1.00 22.52 O ATOM 1051 CB THR A1084 20.940 -34.243 -2.239 1.00 19.82 C ATOM 1052 OG1 THR A1084 19.626 -34.817 -2.271 1.00 22.07 O ATOM 1053 CG2 THR A1084 21.224 -33.684 -3.620 1.00 22.21 C ATOM 1054 HG1 THR A1084 19.417 -35.210 -1.387 1.00 0.00 H ATOM 1055 H THR A1084 21.062 -35.435 0.061 1.00 0.00 H ATOM 1056 N ALA A1085 23.850 -34.084 -1.099 1.00 19.68 N ATOM 1057 CA ALA A1085 25.184 -33.526 -1.189 1.00 19.46 C ATOM 1058 C ALA A1085 26.214 -34.662 -1.207 1.00 20.48 C ATOM 1059 O ALA A1085 27.192 -34.638 -2.014 1.00 19.58 O ATOM 1060 CB ALA A1085 25.441 -32.548 0.010 1.00 20.52 C ATOM 1061 H ALA A1085 23.260 -33.889 -0.265 1.00 0.00 H ATOM 1062 N TYR A1086 26.051 -35.656 -0.310 1.00 18.81 N ATOM 1063 CA TYR A1086 27.009 -36.739 -0.325 1.00 21.13 C ATOM 1064 C TYR A1086 26.986 -37.512 -1.636 1.00 20.39 C ATOM 1065 O TYR A1086 28.048 -37.961 -2.123 1.00 21.65 O ATOM 1066 CB TYR A1086 26.748 -37.711 0.838 1.00 23.60 C ATOM 1067 CG TYR A1086 27.438 -37.303 2.115 1.00 23.30 C ATOM 1068 CD1 TYR A1086 26.896 -36.312 2.958 1.00 23.76 C ATOM 1069 CD2 TYR A1086 28.637 -37.902 2.477 1.00 27.15 C ATOM 1070 CE1 TYR A1086 27.537 -35.954 4.165 1.00 24.69 C ATOM 1071 CE2 TYR A1086 29.274 -37.570 3.664 1.00 29.09 C ATOM 1072 CZ TYR A1086 28.729 -36.593 4.495 1.00 26.52 C ATOM 1073 OH TYR A1086 29.409 -36.324 5.661 1.00 28.02 O ATOM 1074 HH TYR A1086 28.931 -35.619 6.165 1.00 0.00 H ATOM 1075 H TYR A1086 25.263 -35.644 0.369 1.00 0.00 H ATOM 1076 N ALA A1087 25.806 -37.677 -2.204 1.00 20.22 N ATOM 1077 CA ALA A1087 25.719 -38.447 -3.462 1.00 21.25 C ATOM 1078 C ALA A1087 26.355 -37.701 -4.645 1.00 20.83 C ATOM 1079 O ALA A1087 26.995 -38.322 -5.529 1.00 20.78 O ATOM 1080 CB ALA A1087 24.279 -38.773 -3.779 1.00 22.94 C ATOM 1081 H ALA A1087 24.951 -37.271 -1.773 1.00 0.00 H ATOM 1082 N ILE A1088 26.161 -36.382 -4.698 1.00 19.56 N ATOM 1083 CA ILE A1088 26.832 -35.601 -5.758 1.00 20.33 C ATOM 1084 C ILE A1088 28.335 -35.745 -5.616 1.00 21.25 C ATOM 1085 O ILE A1088 29.062 -35.934 -6.614 1.00 21.79 O ATOM 1086 CB ILE A1088 26.434 -34.110 -5.696 1.00 20.73 C ATOM 1087 CG1 ILE A1088 24.975 -33.932 -6.119 1.00 20.45 C ATOM 1088 CG2 ILE A1088 27.342 -33.245 -6.559 1.00 18.57 C ATOM 1089 CD1 ILE A1088 24.412 -32.558 -5.874 1.00 20.05 C ATOM 1090 H ILE A1088 25.547 -35.911 -4.004 1.00 0.00 H ATOM 1091 N ILE A1089 28.822 -35.647 -4.391 1.00 21.08 N ATOM 1092 CA ILE A1089 30.264 -35.723 -4.174 1.00 20.30 C ATOM 1093 C ILE A1089 30.764 -37.128 -4.500 1.00 24.23 C ATOM 1094 O ILE A1089 31.822 -37.288 -5.131 1.00 25.65 O ATOM 1095 CB ILE A1089 30.629 -35.314 -2.700 1.00 18.59 C ATOM 1096 CG1 ILE A1089 30.865 -33.799 -2.668 1.00 20.83 C ATOM 1097 CG2 ILE A1089 31.904 -36.100 -2.164 1.00 18.82 C ATOM 1098 CD1 ILE A1089 30.253 -32.993 -1.436 1.00 20.58 C ATOM 1099 H ILE A1089 28.180 -35.516 -3.584 1.00 0.00 H ATOM 1100 N LYS A1090 30.004 -38.150 -4.118 1.00 22.26 N ATOM 1101 CA LYS A1090 30.471 -39.527 -4.434 1.00 23.55 C ATOM 1102 C LYS A1090 30.637 -39.709 -5.950 1.00 26.07 C ATOM 1103 O LYS A1090 31.620 -40.353 -6.411 1.00 27.69 O ATOM 1104 CB LYS A1090 29.488 -40.578 -3.886 1.00 24.72 C ATOM 1105 CG LYS A1090 29.993 -42.016 -4.153 1.00 31.68 C ATOM 1106 CD LYS A1090 29.293 -43.018 -3.271 1.00 39.03 C ATOM 1107 CE LYS A1090 29.844 -44.418 -3.524 1.00 43.80 C ATOM 1108 NZ LYS A1090 28.946 -45.414 -2.852 1.00 48.78 N ATOM 1109 HZ1 LYS A1090 28.921 -45.222 -1.830 1.00 0.00 H ATOM 1110 HZ2 LYS A1090 27.986 -45.334 -3.245 1.00 0.00 H ATOM 1111 HZ3 LYS A1090 29.311 -46.374 -3.017 1.00 0.00 H ATOM 1112 H LYS A1090 29.109 -37.991 -3.613 1.00 0.00 H ATOM 1113 N GLU A1091 29.718 -39.132 -6.732 1.00 25.41 N ATOM 1114 CA GLU A1091 29.740 -39.317 -8.200 1.00 27.15 C ATOM 1115 C GLU A1091 30.727 -38.418 -8.903 1.00 26.13 C ATOM 1116 O GLU A1091 31.275 -38.806 -9.952 1.00 28.29 O ATOM 1117 CB GLU A1091 28.374 -39.059 -8.854 1.00 29.94 C ATOM 1118 CG GLU A1091 27.414 -40.236 -8.776 1.00 48.82 C ATOM 1119 CD GLU A1091 26.404 -40.219 -9.923 1.00 62.72 C ATOM 1120 OE1 GLU A1091 26.134 -39.111 -10.455 1.00 67.44 O ATOM 1121 OE2 GLU A1091 25.894 -41.302 -10.298 1.00 66.39 O ATOM 1122 H GLU A1091 28.976 -38.544 -6.301 1.00 0.00 H ATOM 1123 N GLU A1092 30.923 -37.206 -8.378 1.00 21.04 N ATOM 1124 CA GLU A1092 31.563 -36.176 -9.196 1.00 19.57 C ATOM 1125 C GLU A1092 32.928 -35.700 -8.686 1.00 24.19 C ATOM 1126 O GLU A1092 33.644 -35.012 -9.402 1.00 24.80 O ATOM 1127 CB GLU A1092 30.657 -34.946 -9.317 1.00 19.35 C ATOM 1128 CG GLU A1092 29.264 -35.333 -9.903 1.00 22.90 C ATOM 1129 CD GLU A1092 28.344 -34.139 -10.100 1.00 23.49 C ATOM 1130 OE1 GLU A1092 28.833 -32.985 -10.205 1.00 22.74 O ATOM 1131 OE2 GLU A1092 27.095 -34.352 -10.106 1.00 23.34 O ATOM 1132 H GLU A1092 30.625 -36.998 -7.403 1.00 0.00 H ATOM 1133 N LEU A1093 33.232 -36.002 -7.435 1.00 24.11 N ATOM 1134 CA LEU A1093 34.534 -35.634 -6.871 1.00 22.38 C ATOM 1135 C LEU A1093 35.525 -36.762 -7.105 1.00 25.31 C ATOM 1136 O LEU A1093 35.284 -37.868 -6.684 1.00 26.66 O ATOM 1137 CB LEU A1093 34.392 -35.355 -5.373 1.00 23.44 C ATOM 1138 CG LEU A1093 35.749 -35.127 -4.663 1.00 28.89 C ATOM 1139 CD1 LEU A1093 36.301 -33.827 -5.116 1.00 27.17 C ATOM 1140 CD2 LEU A1093 35.523 -35.148 -3.115 1.00 31.65 C ATOM 1141 H LEU A1093 32.540 -36.506 -6.845 1.00 0.00 H ATOM 1142 N ASP A1094 36.617 -36.491 -7.796 1.00 21.37 N ATOM 1143 CA ASP A1094 37.634 -37.507 -7.997 1.00 24.64 C ATOM 1144 C ASP A1094 38.386 -37.756 -6.685 1.00 20.84 C ATOM 1145 O ASP A1094 38.821 -36.797 -6.055 1.00 22.01 O ATOM 1146 CB ASP A1094 38.594 -37.025 -9.062 1.00 26.26 C ATOM 1147 CG ASP A1094 39.570 -38.097 -9.433 1.00 31.60 C ATOM 1148 OD1 ASP A1094 40.354 -38.569 -8.584 1.00 34.76 O ATOM 1149 OD2 ASP A1094 39.517 -38.563 -10.581 1.00 32.79 O ATOM 1150 H ASP A1094 36.750 -35.542 -8.200 1.00 0.00 H ATOM 1151 N GLU A1095 38.528 -39.009 -6.257 1.00 22.57 N ATOM 1152 CA GLU A1095 39.132 -39.254 -4.932 1.00 26.58 C ATOM 1153 C GLU A1095 40.569 -38.775 -4.872 1.00 24.91 C ATOM 1154 O GLU A1095 41.093 -38.435 -3.796 1.00 22.90 O ATOM 1155 CB GLU A1095 39.090 -40.745 -4.588 1.00 34.95 C ATOM 1156 CG GLU A1095 37.659 -41.213 -4.382 1.00 49.61 C ATOM 1157 CD GLU A1095 37.562 -42.704 -4.042 1.00 63.22 C ATOM 1158 OE1 GLU A1095 38.585 -43.434 -4.209 1.00 64.98 O ATOM 1159 OE2 GLU A1095 36.460 -43.125 -3.600 1.00 71.14 O ATOM 1160 H GLU A1095 38.217 -39.806 -6.849 1.00 0.00 H ATOM 1161 N ASP A1096 41.260 -38.807 -6.011 1.00 21.33 N ATOM 1162 CA ASP A1096 42.652 -38.327 -6.004 1.00 21.66 C ATOM 1163 C ASP A1096 42.753 -36.821 -5.896 1.00 19.64 C ATOM 1164 O ASP A1096 43.774 -36.265 -5.416 1.00 21.33 O ATOM 1165 CB ASP A1096 43.411 -38.782 -7.285 1.00 20.95 C ATOM 1166 CG ASP A1096 43.665 -40.280 -7.308 1.00 27.59 C ATOM 1167 OD1 ASP A1096 43.788 -40.909 -6.246 1.00 28.88 O ATOM 1168 OD2 ASP A1096 43.764 -40.833 -8.400 1.00 32.54 O ATOM 1169 H ASP A1096 40.825 -39.163 -6.886 1.00 0.00 H ATOM 1170 N PHE A1097 41.723 -36.120 -6.378 1.00 20.26 N ATOM 1171 CA PHE A1097 41.719 -34.687 -6.242 1.00 19.43 C ATOM 1172 C PHE A1097 41.521 -34.353 -4.743 1.00 19.50 C ATOM 1173 O PHE A1097 42.218 -33.479 -4.187 1.00 20.95 O ATOM 1174 CB PHE A1097 40.609 -34.039 -7.114 1.00 18.24 C ATOM 1175 CG PHE A1097 40.508 -32.543 -6.920 1.00 20.71 C ATOM 1176 CD1 PHE A1097 41.288 -31.669 -7.718 1.00 21.96 C ATOM 1177 CD2 PHE A1097 39.668 -32.018 -5.949 1.00 21.43 C ATOM 1178 CE1 PHE A1097 41.250 -30.296 -7.503 1.00 22.52 C ATOM 1179 CE2 PHE A1097 39.599 -30.648 -5.736 1.00 22.11 C ATOM 1180 CZ PHE A1097 40.390 -29.782 -6.508 1.00 21.38 C ATOM 1181 H PHE A1097 40.932 -36.605 -6.847 1.00 0.00 H ATOM 1182 N GLU A1098 40.574 -35.019 -4.090 1.00 19.38 N ATOM 1183 CA GLU A1098 40.378 -34.803 -2.663 1.00 22.86 C ATOM 1184 C GLU A1098 41.632 -35.151 -1.896 1.00 22.11 C ATOM 1185 O GLU A1098 41.982 -34.474 -0.939 1.00 22.35 O ATOM 1186 CB GLU A1098 39.186 -35.623 -2.146 1.00 22.37 C ATOM 1187 CG GLU A1098 38.973 -35.648 -0.641 1.00 24.60 C ATOM 1188 CD GLU A1098 38.706 -34.269 0.017 1.00 30.19 C ATOM 1189 OE1 GLU A1098 38.470 -33.296 -0.689 1.00 25.10 O ATOM 1190 OE2 GLU A1098 38.713 -34.161 1.267 1.00 34.33 O ATOM 1191 H GLU A1098 39.971 -35.696 -4.599 1.00 0.00 H ATOM 1192 N GLN A1099 42.307 -36.230 -2.301 1.00 21.53 N ATOM 1193 CA GLN A1099 43.497 -36.665 -1.574 1.00 22.71 C ATOM 1194 C GLN A1099 44.561 -35.582 -1.695 1.00 24.45 C ATOM 1195 O GLN A1099 45.251 -35.240 -0.731 1.00 23.55 O ATOM 1196 CB GLN A1099 44.012 -38.010 -2.112 1.00 23.44 C ATOM 1197 CG GLN A1099 45.254 -38.509 -1.341 1.00 25.22 C ATOM 1198 CD GLN A1099 44.911 -38.857 0.082 1.00 30.27 C ATOM 1199 OE1 GLN A1099 43.771 -39.270 0.383 1.00 33.29 O ATOM 1200 NE2 GLN A1099 45.874 -38.684 0.983 1.00 30.91 N ATOM 1201 HE22 GLN A1099 46.808 -38.338 0.685 1.00 0.00 H ATOM 1202 HE21 GLN A1099 45.693 -38.895 1.985 1.00 0.00 H ATOM 1203 H GLN A1099 41.985 -36.761 -3.135 1.00 0.00 H ATOM 1204 N LEU A1100 44.712 -35.024 -2.893 1.00 20.58 N ATOM 1205 CA LEU A1100 45.666 -33.911 -3.047 1.00 21.84 C ATOM 1206 C LEU A1100 45.329 -32.719 -2.132 1.00 22.26 C ATOM 1207 O LEU A1100 46.220 -32.162 -1.483 1.00 24.75 O ATOM 1208 CB LEU A1100 45.711 -33.455 -4.515 1.00 20.66 C ATOM 1209 CG LEU A1100 46.596 -32.266 -4.828 1.00 21.64 C ATOM 1210 CD1 LEU A1100 48.056 -32.562 -4.427 1.00 23.57 C ATOM 1211 CD2 LEU A1100 46.504 -32.007 -6.344 1.00 23.95 C ATOM 1212 H LEU A1100 44.165 -35.368 -3.708 1.00 0.00 H ATOM 1213 N CYS A1101 44.052 -32.333 -2.083 1.00 21.03 N ATOM 1214 CA CYS A1101 43.629 -31.230 -1.190 1.00 22.25 C ATOM 1215 C CYS A1101 44.022 -31.523 0.247 1.00 27.00 C ATOM 1216 O CYS A1101 44.522 -30.641 0.944 1.00 25.89 O ATOM 1217 CB CYS A1101 42.111 -30.996 -1.257 1.00 22.20 C ATOM 1218 SG CYS A1101 41.588 -30.289 -2.841 1.00 22.79 S ATOM 1219 H CYS A1101 43.347 -32.812 -2.678 1.00 0.00 H ATOM 1220 N GLU A1102 43.787 -32.754 0.696 1.00 24.59 N ATOM 1221 CA GLU A1102 44.114 -33.128 2.068 1.00 27.17 C ATOM 1222 C GLU A1102 45.609 -33.058 2.322 1.00 27.81 C ATOM 1223 O GLU A1102 46.063 -32.601 3.382 1.00 30.09 O ATOM 1224 CB GLU A1102 43.539 -34.518 2.385 1.00 28.07 C ATOM 1225 CG GLU A1102 41.978 -34.549 2.252 1.00 35.23 C ATOM 1226 CD GLU A1102 41.317 -35.883 2.626 1.00 39.35 C ATOM 1227 OE1 GLU A1102 42.075 -36.766 3.080 1.00 43.83 O ATOM 1228 OE2 GLU A1102 40.045 -36.047 2.489 1.00 36.28 O ATOM 1229 H GLU A1102 43.364 -33.459 0.060 1.00 0.00 H ATOM 1230 N GLU A1103 46.409 -33.490 1.352 1.00 26.49 N ATOM 1231 CA GLU A1103 47.842 -33.494 1.591 1.00 29.30 C ATOM 1232 C GLU A1103 48.385 -32.084 1.568 1.00 30.50 C ATOM 1233 O GLU A1103 49.270 -31.798 2.345 1.00 33.63 O ATOM 1234 CB GLU A1103 48.579 -34.404 0.578 1.00 27.24 C ATOM 1235 CG GLU A1103 48.215 -35.862 0.908 1.00 29.79 C ATOM 1236 CD GLU A1103 48.870 -36.941 0.002 1.00 29.87 C ATOM 1237 OE1 GLU A1103 49.748 -36.611 -0.823 1.00 27.41 O ATOM 1238 OE2 GLU A1103 48.493 -38.137 0.172 1.00 30.78 O ATOM 1239 H GLU A1103 46.019 -33.817 0.445 1.00 0.00 H ATOM 1240 N ILE A1104 47.855 -31.191 0.721 1.00 27.07 N ATOM 1241 CA ILE A1104 48.315 -29.810 0.791 1.00 30.44 C ATOM 1242 C ILE A1104 47.924 -29.218 2.131 1.00 32.81 C ATOM 1243 O ILE A1104 48.730 -28.628 2.842 1.00 37.30 O ATOM 1244 CB ILE A1104 47.735 -28.934 -0.322 1.00 27.23 C ATOM 1245 CG1 ILE A1104 48.105 -29.518 -1.695 1.00 25.66 C ATOM 1246 CG2 ILE A1104 48.222 -27.476 -0.148 1.00 29.65 C ATOM 1247 CD1 ILE A1104 47.268 -28.952 -2.875 1.00 28.11 C ATOM 1248 H ILE A1104 47.132 -31.477 0.030 1.00 0.00 H ATOM 1249 N GLN A1105 46.675 -29.447 2.514 1.00 33.08 N ATOM 1250 CA GLN A1105 46.167 -28.901 3.773 1.00 35.20 C ATOM 1251 C GLN A1105 46.970 -29.388 5.000 1.00 38.09 C ATOM 1252 O GLN A1105 47.253 -28.611 5.941 1.00 41.04 O ATOM 1253 CB GLN A1105 44.680 -29.271 3.917 1.00 35.86 C ATOM 1254 CG GLN A1105 43.992 -28.506 4.985 1.00 46.34 C ATOM 1255 CD GLN A1105 43.267 -29.425 5.912 1.00 56.90 C ATOM 1256 OE1 GLN A1105 42.020 -29.436 5.997 1.00 56.26 O ATOM 1257 NE2 GLN A1105 44.046 -30.202 6.650 1.00 63.93 N ATOM 1258 HE22 GLN A1105 45.079 -30.155 6.542 1.00 0.00 H ATOM 1259 HE21 GLN A1105 43.624 -30.858 7.338 1.00 0.00 H ATOM 1260 H GLN A1105 46.050 -30.021 1.913 1.00 0.00 H ATOM 1261 N GLU A1106 47.342 -30.663 5.006 1.00 37.67 N ATOM 1262 CA GLU A1106 48.157 -31.222 6.096 1.00 45.35 C ATOM 1263 C GLU A1106 49.604 -30.687 6.128 1.00 48.53 C ATOM 1264 O GLU A1106 50.247 -30.679 7.178 1.00 52.22 O ATOM 1265 CB GLU A1106 48.181 -32.755 6.010 1.00 49.58 C ATOM 1266 CG GLU A1106 46.869 -33.408 6.399 1.00 58.29 C ATOM 1267 CD GLU A1106 46.636 -34.776 5.756 1.00 65.14 C ATOM 1268 OE1 GLU A1106 47.532 -35.297 5.057 1.00 66.96 O ATOM 1269 OE2 GLU A1106 45.527 -35.327 5.942 1.00 68.41 O ATOM 1270 H GLU A1106 47.050 -31.281 4.222 1.00 0.00 H ATOM 1271 N SER A1107 50.117 -30.239 4.988 1.00 49.02 N ATOM 1272 CA SER A1107 51.494 -29.723 4.922 1.00 55.16 C ATOM 1273 C SER A1107 51.580 -28.292 5.418 1.00 62.43 C ATOM 1274 O SER A1107 52.666 -27.714 5.451 1.00 65.86 O ATOM 1275 CB SER A1107 52.044 -29.770 3.498 1.00 52.97 C ATOM 1276 OG SER A1107 51.393 -28.778 2.686 1.00 51.88 O ATOM 1277 HG SER A1107 51.756 -28.816 1.766 1.00 0.00 H ATOM 1278 H SER A1107 49.535 -30.253 4.126 1.00 0.00 H ATOM 1279 N ARG A1108 50.438 -27.712 5.773 1.00 66.22 N ATOM 1280 CA ARG A1108 50.405 -26.330 6.247 1.00 75.47 C ATOM 1281 C ARG A1108 50.362 -26.271 7.781 1.00 83.14 C ATOM 1282 O ARG A1108 49.967 -27.230 8.458 1.00 84.53 O ATOM 1283 CB ARG A1108 49.218 -25.577 5.623 1.00 75.34 C ATOM 1284 CG ARG A1108 49.326 -25.530 4.095 1.00 74.52 C ATOM 1285 CD ARG A1108 48.493 -24.449 3.401 1.00 74.83 C ATOM 1286 NE ARG A1108 48.951 -24.307 2.017 1.00 73.32 N ATOM 1287 CZ ARG A1108 48.334 -23.603 1.072 1.00 73.75 C ATOM 1288 NH1 ARG A1108 48.847 -23.559 -0.163 1.00 71.98 N ATOM 1289 NH2 ARG A1108 47.205 -22.953 1.355 1.00 75.82 N ATOM 1290 OXT ARG A1108 50.753 -25.266 8.381 1.00 88.04 O ATOM 1291 HE ARG A1108 49.830 -24.796 1.752 1.00 0.00 H ATOM 1292 HH12 ARG A1108 48.369 -23.010 -0.906 1.00 0.00 H ATOM 1293 HH11 ARG A1108 49.724 -24.074 -0.380 1.00 0.00 H ATOM 1294 HH22 ARG A1108 46.723 -22.403 0.616 1.00 0.00 H ATOM 1295 HH21 ARG A1108 46.807 -22.996 2.315 1.00 0.00 H ATOM 1296 H ARG A1108 49.551 -28.252 5.712 1.00 0.00 H TER 1297 ARG A1108 HETATM 1298 O HOH 1 8.021 -41.787 20.929 1.00 65.07 O HETATM 1299 O HOH 2 4.101 -40.804 19.243 1.00 60.90 O HETATM 1300 O HOH 3 30.425 -22.751 13.045 1.00 49.91 O HETATM 1301 O HOH 4 49.797 -35.362 4.357 1.00 46.51 O HETATM 1302 O HOH 5 10.123 -34.670 20.828 1.00 50.27 O HETATM 1303 O HOH 6 21.143 -26.349 22.923 1.00 60.14 O HETATM 1304 O HOH 7 52.178 -29.030 0.269 1.00 43.37 O HETATM 1305 O HOH 8 30.066 -16.375 -4.696 1.00 55.16 O HETATM 1306 O HOH 9 3.260 -29.724 12.678 1.00 42.58 O HETATM 1307 O HOH 10 31.296 -24.598 10.912 1.00 44.54 O HETATM 1308 O HOH 11 49.146 -39.660 2.159 1.00 38.85 O HETATM 1309 O HOH 12 51.243 -33.198 3.268 1.00 39.51 O HETATM 1310 O HOH 13 25.484 -36.334 -9.592 1.00 35.49 O HETATM 1311 O HOH 14 30.699 -14.395 -0.821 1.00 29.11 O HETATM 1312 O HOH 15 13.151 -24.418 21.458 1.00 64.59 O HETATM 1313 O HOH 16 5.246 -34.131 7.603 1.00 32.73 O HETATM 1314 O HOH 17 9.597 -29.134 17.885 1.00 43.29 O HETATM 1315 O HOH 18 4.008 -39.063 10.735 1.00 46.61 O HETATM 1316 O HOH 19 44.290 -20.254 -9.290 1.00 50.52 O HETATM 1317 O HOH 20 19.278 -28.854 -8.234 1.00 35.75 O HETATM 1318 O HOH 21 40.687 -32.170 -11.378 1.00 24.83 O HETATM 1319 O HOH 22 8.525 -27.989 8.165 1.00 32.08 O HETATM 1320 O HOH 23 31.084 -41.031 -11.460 1.00 62.65 O HETATM 1321 O HOH 24 51.640 -34.772 -1.429 1.00 28.27 O HETATM 1322 O HOH 25 23.960 -19.533 18.300 1.00 39.74 O HETATM 1323 O HOH 26 22.626 -33.150 -9.472 1.00 45.59 O HETATM 1324 O HOH 27 9.090 -38.790 15.185 1.00 41.57 O HETATM 1325 O HOH 28 31.285 -22.945 -9.793 1.00 21.72 O HETATM 1326 O HOH 29 44.037 -40.990 -3.525 1.00 34.44 O HETATM 1327 O HOH 30 16.277 -37.102 -2.109 1.00 70.71 O HETATM 1328 O HOH 31 15.135 -37.806 3.579 1.00 29.84 O HETATM 1329 O HOH 32 35.139 -23.681 9.117 1.00 59.18 O HETATM 1330 O HOH 33 38.234 -30.130 -13.539 1.00 23.98 O HETATM 1331 O HOH 34 54.522 -27.079 -2.155 1.00 57.11 O HETATM 1332 O HOH 35 38.585 -14.425 0.425 1.00 40.27 O HETATM 1333 O HOH 36 1.155 -34.502 15.760 1.00 29.89 O HETATM 1334 O HOH 37 45.268 -29.751 -8.910 1.00 41.49 O HETATM 1335 O HOH 38 26.734 -20.040 19.945 1.00 45.06 O HETATM 1336 O HOH 39 25.328 -25.421 -9.992 1.00 34.75 O HETATM 1337 O HOH 40 25.658 -19.169 -9.522 1.00 56.71 O HETATM 1338 O HOH 41 28.451 -19.810 -8.035 1.00 61.41 O HETATM 1339 O HOH 42 3.671 -36.394 11.443 1.00 24.26 O HETATM 1340 O HOH 43 10.716 -30.324 21.029 1.00 44.74 O HETATM 1341 O HOH 44 43.422 -18.818 -5.499 1.00 55.72 O HETATM 1342 O HOH 45 36.459 -14.380 -2.611 1.00 32.28 O HETATM 1343 O HOH 46 42.780 -21.196 -11.459 1.00 39.03 O HETATM 1344 O HOH 47 32.227 -14.362 1.571 1.00 31.81 O HETATM 1345 O HOH 48 41.957 -40.193 -10.581 1.00 39.05 O HETATM 1346 O HOH 49 32.876 -34.177 -12.093 1.00 33.27 O HETATM 1347 O HOH 50 48.888 -28.800 -6.409 1.00 40.45 O HETATM 1348 O HOH 51 46.243 -42.377 -6.984 1.00 43.51 O HETATM 1349 O HOH 52 6.680 -26.583 0.611 1.00 50.89 O HETATM 1350 O HOH 53 31.622 -20.884 10.537 1.00 41.06 O HETATM 1351 O HOH 54 26.213 -21.297 24.977 1.00 46.88 O HETATM 1352 O HOH 55 -1.171 -35.980 13.408 1.00 51.17 O HETATM 1353 O HOH 56 12.587 -35.733 -0.717 1.00 28.74 O HETATM 1354 O HOH 57 27.989 -19.504 16.313 1.00 52.98 O HETATM 1355 O HOH 58 4.632 -32.991 18.094 1.00 51.90 O HETATM 1356 O HOH 59 35.186 -36.606 -11.555 1.00 51.64 O HETATM 1357 O HOH 60 21.733 -31.148 -9.530 1.00 39.88 O HETATM 1358 O HOH 61 55.424 -29.153 4.998 1.00 73.98 O HETATM 1359 O HOH 62 6.699 -35.818 19.917 1.00 33.38 O HETATM 1360 O HOH 63 38.561 -36.303 -12.574 1.00 44.75 O HETATM 1361 O HOH 64 39.134 -15.990 6.028 1.00 58.39 O HETATM 1362 O HOH 65 7.598 -25.410 4.513 1.00 59.08 O HETATM 1363 O HOH 66 35.363 -32.280 -10.347 1.00 62.61 O HETATM 1364 O HOH 67 24.481 -37.011 -12.509 1.00 53.30 O HETATM 1365 O HOH 68 34.587 -38.543 -10.595 1.00 49.04 O HETATM 1366 O HOH 69 16.755 -22.291 25.528 1.00 70.84 O HETATM 1367 O HOH 70 28.644 -22.316 -9.389 1.00 23.72 O HETATM 1368 O HOH 71 7.458 -45.313 18.138 1.00 54.48 O HETATM 1369 O HOH 72 34.540 -13.168 0.398 1.00 32.50 O HETATM 1370 O HOH 73 13.101 -36.024 -5.421 1.00 54.28 O HETATM 1371 O HOH 74 -0.923 -34.083 14.167 1.00 46.82 O HETATM 1372 O HOH 75 15.255 -39.021 1.636 1.00 49.91 O HETATM 1373 O HOH 76 31.111 -24.387 -11.956 1.00 37.25 O HETATM 1374 O HOH 77 16.004 -38.118 -3.777 1.00 59.39 O HETATM 1375 O HOH 78 23.319 -27.111 23.033 1.00 60.20 O HETATM 1376 O HOH 79 49.902 -38.246 4.633 1.00 46.81 O HETATM 1377 O HOH 80 22.882 -34.888 -11.369 1.00 66.68 O HETATM 1378 O HOH 81 47.982 -41.719 1.941 1.00 53.54 O HETATM 1379 O HOH 82 54.531 -31.174 5.650 1.00 72.80 O HETATM 1380 O HOH 83 31.853 -26.489 -12.125 1.00 36.49 O HETATM 1381 O HOH 84 14.168 -38.052 -0.343 1.00 39.98 O HETATM 1382 O HOH 85 44.199 -18.823 -7.819 1.00 46.62 O HETATM 1383 O HOH 86 30.567 -16.968 6.884 1.00 55.73 O HETATM 1384 O HOH 87 36.315 -22.001 9.876 1.00 66.60 O HETATM 1385 O HOH 88 1.320 -30.079 14.704 1.00 51.43 O HETATM 1386 O HOH 89 8.641 -36.707 20.543 1.00 61.07 O HETATM 1387 O HOH 90 38.806 -33.964 -10.882 1.00 33.63 O HETATM 1388 O HOH 91 27.851 -16.076 -7.880 1.00 60.45 O HETATM 1389 O HOH 92 27.950 -12.890 6.100 1.00 42.71 O HETATM 1390 O HOH 93 4.665 -36.436 9.037 1.00 38.48 O HETATM 1391 O HOH 94 14.694 -39.220 6.390 1.00 45.34 O HETATM 1392 O HOH 95 33.811 -19.521 11.459 1.00 64.18 O HETATM 1393 O HOH 96 28.162 -27.226 19.482 1.00 47.46 O HETATM 1394 O HOH 97 57.817 -28.148 3.411 1.00 62.42 O HETATM 1395 O HOH 98 36.781 -22.405 0.518 1.00 23.32 O HETATM 1396 O HOH 99 29.233 -31.291 11.372 1.00 24.53 O HETATM 1397 O HOH 100 24.023 -40.071 -0.121 1.00 26.35 O HETATM 1398 O HOH 101 21.170 -23.740 11.277 1.00 30.72 O HETATM 1399 O HOH 102 19.796 -24.117 8.294 1.00 27.72 O HETATM 1400 O HOH 103 19.227 -26.444 9.735 1.00 26.47 O HETATM 1401 O HOH 104 39.949 -22.295 -0.490 1.00 26.96 O HETATM 1402 O HOH 105 24.925 -26.422 16.328 1.00 27.26 O HETATM 1403 O HOH 106 42.513 -21.470 0.010 1.00 30.82 O HETATM 1404 O HOH 107 17.842 -25.985 12.046 1.00 28.27 O HETATM 1405 O HOH 108 30.983 -34.376 8.527 1.00 32.81 O HETATM 1406 O HOH 109 26.180 -41.263 -1.221 1.00 28.88 O HETATM 1407 O HOH 110 37.481 -41.049 -7.738 1.00 34.84 O HETATM 1408 O HOH 111 15.531 -23.793 -2.622 1.00 29.66 O HETATM 1409 O HOH 112 24.430 -34.606 9.674 1.00 30.30 O HETATM 1410 O HOH 113 17.993 -22.220 7.520 1.00 34.72 O HETATM 1411 O HOH 114 22.921 -20.004 9.450 1.00 36.83 O HETATM 1412 O HOH 115 12.278 -26.001 2.247 1.00 30.86 O HETATM 1413 O HOH 116 25.520 -42.284 -3.617 1.00 34.25 O HETATM 1414 O HOH 117 28.818 -41.111 0.209 1.00 41.68 O HETATM 1415 O HOH 118 20.806 -38.155 -4.843 1.00 34.34 O HETATM 1416 O HOH 119 26.082 -15.999 0.478 1.00 34.62 O HETATM 1417 O HOH 120 10.890 -37.404 8.679 1.00 35.38 O HETATM 1418 O HOH 121 22.526 -36.358 -5.399 1.00 34.48 O HETATM 1419 O HOH 122 40.099 -32.094 5.836 1.00 32.89 O HETATM 1420 O HOH 123 19.468 -30.662 -5.247 1.00 34.28 O HETATM 1421 O HOH 124 24.604 -15.797 5.383 1.00 42.78 O HETATM 1422 O HOH 125 32.463 -36.048 5.525 1.00 33.95 O HETATM 1423 O HOH 126 26.938 -32.178 12.512 1.00 27.98 O HETATM 1424 O HOH 127 30.249 -38.836 -0.617 1.00 28.00 O HETATM 1425 O HOH 128 21.446 -34.797 -7.161 1.00 35.48 O HETATM 1426 O HOH 129 10.703 -27.446 6.124 1.00 30.82 O HETATM 1427 O HOH 130 9.961 -24.980 -1.053 1.00 39.61 O HETATM 1428 O HOH 131 34.004 -26.963 8.217 1.00 39.69 O HETATM 1429 O HOH 132 40.159 -39.213 -1.389 1.00 34.09 O HETATM 1430 O HOH 133 23.670 -26.886 18.824 1.00 36.32 O HETATM 1431 O HOH 134 18.135 -35.454 -4.419 1.00 32.45 O HETATM 1432 O HOH 135 28.240 -19.255 -5.307 1.00 36.31 O HETATM 1433 O HOH 136 27.334 -27.143 17.014 1.00 38.00 O HETATM 1434 O HOH 137 26.529 -35.014 11.960 1.00 46.50 O HETATM 1435 O HOH 138 33.242 -34.217 6.924 1.00 29.31 O HETATM 1436 O HOH 139 21.346 -19.920 -0.527 1.00 36.74 O HETATM 1437 O HOH 140 13.753 -22.312 -3.755 1.00 41.49 O HETATM 1438 O HOH 141 20.261 -38.845 -2.295 1.00 39.83 O HETATM 1439 O HOH 142 26.657 -37.681 7.428 1.00 45.63 O HETATM 1440 O HOH 143 16.609 -32.258 20.102 1.00 42.01 O HETATM 1441 O HOH 144 22.760 -32.510 17.092 1.00 46.39 O HETATM 1442 O HOH 145 13.406 -27.920 -7.293 1.00 39.44 O HETATM 1443 O HOH 146 20.540 -20.633 10.647 1.00 35.74 O HETATM 1444 O HOH 147 30.569 -33.696 11.055 1.00 34.08 O HETATM 1445 O HOH 148 20.389 -18.602 12.464 1.00 40.14 O HETATM 1446 O HOH 149 21.773 -41.051 -1.376 1.00 39.85 O HETATM 1447 O HOH 150 13.659 -17.898 9.463 1.00 50.18 O HETATM 1448 O HOH 151 43.475 -20.496 -4.070 1.00 44.21 O HETATM 1449 O HOH 152 26.616 -40.967 -5.736 1.00 38.36 O HETATM 1450 O HOH 153 30.577 -29.720 13.078 1.00 46.86 O HETATM 1451 O HOH 154 22.712 -42.325 -3.645 1.00 47.52 O HETATM 1452 O HOH 155 26.507 -29.700 16.456 1.00 43.83 O HETATM 1453 O HOH 156 36.526 -25.147 7.469 1.00 46.00 O HETATM 1454 O HOH 157 21.777 -41.025 -5.481 1.00 46.97 O HETATM 1455 O HOH 158 36.846 -12.066 1.134 1.00 37.52 O HETATM 1456 O HOH 159 15.559 -19.211 6.912 1.00 50.18 O HETATM 1457 O HOH 160 24.152 -37.599 -7.352 1.00 34.81 O HETATM 1458 O HOH 161 18.017 -20.521 -3.700 1.00 42.13 O HETATM 1459 O HOH 162 37.181 -38.832 -1.758 1.00 49.63 O HETATM 1460 O HOH 163 45.007 -20.768 -1.749 1.00 57.86 O HETATM 1461 O HOH 164 22.449 -35.639 13.689 1.00 46.23 O HETATM 1462 O HOH 165 15.685 -35.532 16.009 1.00 38.62 O HETATM 1463 O HOH 166 28.314 -42.735 -7.168 1.00 43.19 O HETATM 1464 O HOH 167 18.187 -37.514 -1.016 1.00 36.68 O HETATM 1465 O HOH 168 26.524 -14.859 4.339 1.00 43.87 O HETATM 1466 O HOH 169 13.567 -38.183 8.217 1.00 49.73 O HETATM 1467 O HOH 170 19.760 -19.087 -2.327 1.00 46.49 O HETATM 1468 O HOH 171 25.281 -27.796 20.608 1.00 57.01 O HETATM 1469 O HOH 172 12.938 -30.620 -5.757 1.00 46.03 O HETATM 1470 O HOH 173 21.153 -33.827 15.436 1.00 38.35 O HETATM 1471 O HOH 174 35.281 -35.007 8.816 1.00 57.70 O HETATM 1472 O HOH 175 42.293 -41.569 -1.669 1.00 50.73 O HETATM 1473 O HOH 176 9.735 -37.621 17.442 1.00 50.49 O HETATM 1474 O HOH 177 44.058 -37.296 4.484 1.00 47.63 O HETATM 1475 O HOH 178 15.801 -20.299 4.646 1.00 48.37 O HETATM 1476 O HOH 179 10.030 -27.000 15.074 1.00 46.62 O HETATM 1477 O HOH 180 24.567 -39.713 3.254 1.00 50.51 O HETATM 1478 O HOH 181 32.761 -39.359 -1.877 1.00 56.87 O HETATM 1479 O HOH 182 13.505 -36.993 16.597 1.00 51.39 O HETATM 1480 O HOH 183 41.205 -38.313 0.551 1.00 52.53 O HETATM 1481 O HOH 184 17.408 -14.885 7.258 1.00 47.34 O HETATM 1482 O HOH 185 17.516 -38.788 1.266 1.00 49.76 O HETATM 1483 O HOH 186 33.938 -37.024 3.112 1.00 48.36 O HETATM 1484 O HOH 187 23.769 -16.795 14.792 1.00 55.09 O HETATM 1485 O HOH 188 25.042 -35.409 14.529 1.00 53.01 O HETATM 1486 O HOH 189 26.024 -39.534 5.052 1.00 55.57 O HETATM 1487 O HOH 190 14.206 -22.807 -6.472 1.00 60.89 O HETATM 1488 O HOH 191 24.196 -40.359 -7.519 1.00 53.09 O HETATM 1489 O HOH 192 39.102 -32.830 8.066 1.00 60.51 O HETATM 1490 O HOH 193 20.545 -38.722 12.869 1.00 52.08 O HETATM 1491 O HOH 194 35.751 -42.791 -6.621 1.00 56.64 O HETATM 1492 O HOH 195 26.646 -19.516 9.912 1.00 45.00 O HETATM 1493 O HOH 196 19.656 -39.469 10.351 1.00 70.57 O HETATM 1494 O HOH 197 29.151 -17.922 8.392 1.00 60.11 O HETATM 1495 O HOH 198 24.982 -38.626 9.552 1.00 56.75 O HETATM 1496 O HOH 199 24.317 -18.002 10.219 1.00 59.61 O HETATM 1497 O HOH 200 25.182 -33.487 16.553 1.00 64.52 O HETATM 1498 O HOH 201 13.707 -19.305 3.134 1.00 59.42 O HETATM 1499 O HOH 202 26.950 -21.714 -5.023 1.00 58.62 O HETATM 1500 O HOH 203 22.609 -17.190 12.018 1.00 62.69 O HETATM 1501 O HOH 204 17.056 -17.008 17.210 1.00 57.77 O HETATM 1502 O HOH 205 15.150 -37.864 11.139 1.00 49.03 O HETATM 1503 O HOH 206 55.902 -20.874 -4.267 1.00 61.81 O HETATM 1504 O HOH 207 16.993 -39.124 10.693 1.00 59.47 O HETATM 1505 O HOH 208 40.218 -41.852 -8.473 1.00 60.39 O HETATM 1506 O HOH 209 24.855 -16.115 8.666 1.00 61.32 O HETATM 1507 O HOH 210 55.187 -20.840 -7.000 1.00 66.27 O HETATM 1508 O HOH 211 17.950 -37.741 -5.455 1.00 59.76 O HETATM 1509 O HOH 212 37.914 -26.732 9.050 1.00 57.57 O HETATM 1510 O HOH 213 23.868 -29.739 15.321 1.00 27.70 O HETATM 1511 O HOH 214 13.215 -39.305 15.836 1.00 60.77 O HETATM 1512 O HOH 215 29.110 -29.997 15.390 1.00 60.97 O HETATM 1513 O HOH 216 24.175 -17.093 -1.303 1.00 53.78 O HETATM 1514 O HOH 217 50.154 -24.439 -11.549 1.00 67.40 O HETATM 1515 O HOH 218 20.862 -41.627 9.319 1.00 62.35 O HETATM 1516 O HOH 219 23.078 -36.579 10.083 1.00 45.89 O HETATM 1517 O HOH 220 26.756 -17.371 9.413 1.00 69.86 O HETATM 1518 O HOH 221 9.692 -24.599 5.770 1.00 44.17 O HETATM 1519 O HOH 222 10.917 -27.027 17.366 1.00 58.17 O HETATM 1520 O HOH 223 32.850 -42.162 -1.622 1.00 63.29 O HETATM 1521 O HOH 224 14.923 -28.937 20.889 1.00 58.09 O HETATM 1522 O HOH 225 13.587 -27.261 20.186 1.00 60.52 O HETATM 1523 O HOH 226 39.817 -34.401 9.365 1.00 64.76 O HETATM 1524 O HOH 227 24.900 -16.819 -3.846 1.00 55.24 O HETATM 1525 O HOH 228 24.054 -40.760 7.457 1.00 56.91 O HETATM 1526 O HOH 229 27.812 -14.946 -4.032 1.00 54.10 O HETATM 1527 O HOH 230 9.967 -24.451 2.042 1.00 47.61 O HETATM 1528 O HOH 231 26.584 -17.231 -5.248 1.00 53.66 O HETATM 1529 O HOH 232 20.525 -32.505 -7.190 1.00 42.61 O HETATM 1530 O HOH 233 27.837 -14.546 -0.857 1.00 41.71 O HETATM 1531 O HOH 234 39.677 -24.443 -1.386 1.00 52.44 O HETATM 1532 O HOH 235 30.574 -43.516 -0.194 1.00 62.83 O HETATM 1533 O HOH 236 16.628 -37.643 13.962 1.00 54.00 O HETATM 1534 O HOH 237 46.054 -38.268 4.137 1.00 57.18 O HETATM 1535 O HOH 238 53.588 -23.427 -8.499 1.00 66.97 O HETATM 1536 O HOH 239 20.515 -14.849 11.872 1.00 59.52 O HETATM 1537 O HOH 240 34.036 -39.863 -8.112 1.00 50.99 O HETATM 1538 O HOH 241 34.593 -38.994 -4.258 1.00 54.77 O HETATM 1539 O HOH 242 33.876 -41.870 -4.991 1.00 59.01 O HETATM 1540 O HOH 243 40.721 -43.486 -3.884 1.00 60.85 O HETATM 1541 O HOH 244 50.953 -21.139 -2.203 1.00 65.14 O HETATM 1542 O HOH 245 19.784 -43.473 10.967 1.00 81.31 O HETATM 1543 O HOH 246 55.433 -22.270 -1.459 1.00 64.28 O HETATM 1544 O HOH 247 10.955 -21.755 3.147 1.00 55.73 O HETATM 1545 O HOH 248 45.896 -25.254 6.643 1.00 57.44 O HETATM 1546 O HOH 249 10.035 -25.994 10.753 1.00 51.36 O HETATM 1547 O HOH 250 27.854 -21.166 13.348 1.00 62.26 O HETATM 1548 O HOH 251 26.681 -42.771 6.675 1.00 72.20 O HETATM 1549 CAA UNN A 252 10.970 -20.043 9.544 1.00 -0.04 C HETATM 1550 CAH UNN A 252 12.083 -21.062 9.606 1.00 -0.05 C HETATM 1551 CAF UNN A 252 12.157 -21.949 10.686 1.00 -0.06 C HETATM 1552 CAK UNN A 252 13.218 -22.929 10.771 1.00 0.08 C HETATM 1553 NAM UNN A 252 13.531 -23.901 11.707 1.00 -0.22 N HETATM 1554 CAB UNN A 252 12.768 -24.177 12.915 1.00 0.04 C HETATM 1555 H UNN A 252 11.927 -23.471 12.987 1.00 0.05 H HETATM 1556 H UNN A 252 13.419 -24.062 13.794 1.00 0.05 H HETATM 1557 H UNN A 252 12.381 -25.206 12.877 1.00 0.05 H HETATM 1558 CAJ UNN A 252 14.640 -24.567 11.282 1.00 0.31 C HETATM 1559 OAE UNN A 252 15.149 -25.475 11.865 1.00 -0.40 O HETATM 1560 NAN UNN A 252 15.054 -24.043 10.137 1.00 -0.22 N HETATM 1561 CAC UNN A 252 16.209 -24.459 9.366 1.00 0.04 C HETATM 1562 H UNN A 252 16.716 -25.288 9.883 1.00 0.05 H HETATM 1563 H UNN A 252 16.904 -23.613 9.261 1.00 0.05 H HETATM 1564 H UNN A 252 15.884 -24.792 8.369 1.00 0.05 H HETATM 1565 CAL UNN A 252 14.165 -23.015 9.794 1.00 0.08 C HETATM 1566 CAG UNN A 252 14.095 -22.095 8.691 1.00 -0.04 C HETATM 1567 CAI UNN A 252 13.065 -21.140 8.599 1.00 0.01 C HETATM 1568 NAD UNN A 252 13.033 -20.251 7.459 1.00 -0.35 N HETATM 1569 H UNN A 252 12.286 -19.546 7.376 1.00 0.17 H HETATM 1570 H UNN A 252 13.757 -20.322 6.730 1.00 0.17 H HETATM 1571 H UNN A 252 14.851 -22.138 7.915 1.00 0.03 H HETATM 1572 H UNN A 252 11.409 -21.901 11.469 1.00 0.04 H HETATM 1573 H UNN A 252 10.320 -20.156 10.424 1.00 0.03 H HETATM 1574 H UNN A 252 10.380 -20.200 8.629 1.00 0.03 H HETATM 1575 H UNN A 252 11.400 -19.031 9.534 1.00 0.03 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1549 1550 1573 1574 1575 CONECT 1550 1549 1551 1567 CONECT 1551 1550 1552 1572 CONECT 1552 1551 1553 1565 CONECT 1553 1552 1554 1558 CONECT 1554 1553 1555 1556 1557 CONECT 1555 1554 CONECT 1556 1554 CONECT 1557 1554 CONECT 1558 1553 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1565 CONECT 1561 1560 1562 1563 1564 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 CONECT 1565 1552 1560 1566 CONECT 1566 1565 1567 1571 CONECT 1567 1550 1566 1568 CONECT 1568 1567 1569 1570 CONECT 1569 1568 CONECT 1570 1568 CONECT 1571 1566 CONECT 1572 1551 CONECT 1573 1549 CONECT 1574 1549 CONECT 1575 1549 MASTER 0 0 0 0 0 0 0 0 1574 1 31 10 END
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Structure:
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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
4tyl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2
Ligand Name
39O
EC.Number
E.C.3.6.1.3
Resolution
1.85(Å)
Affinity (Kd/Ki/IC50)
Kd=600uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) J.Med.Chem. Vol. 57: pp. 9687-9692
Ligand Properties
Formula
C
1
0
H
1
3
N
3
O
Molecular Weight
191.230
Exact Mass
191.106
No. of atoms
27
No. of bonds
28
Polar Surface Area
52.95
LOGP Value
0.61 (
Computed with XLOGP3
)
1.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 4
No. of Rings: 2
Canonical SMILES
Cc1cc2c(cc1N)n(c(=O)n2C)C
InChI String
InChI=1S/C10H13N3O/c1-6-4-8-9(5-7(6)11)13(3)10(14)12(8)2/h4-5H,11H2,1-3H3
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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