Browse entries in the PDBbind-CN Database
HEADER 5A5O_COMPLEX COMPND 5A5O_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 J A 5I 21 ATOM 1 N SER A 979 12.782 45.718 -3.250 1.00 53.89 N ATOM 2 CA SER A 979 13.160 45.976 -4.667 1.00 55.48 C ATOM 3 C SER A 979 11.950 46.413 -5.488 1.00 58.27 C ATOM 4 O SER A 979 10.813 46.334 -5.023 1.00 56.54 O ATOM 5 CB SER A 979 13.762 44.715 -5.287 1.00 54.64 C ATOM 6 OG SER A 979 12.782 43.698 -5.411 1.00 52.46 O ATOM 7 HG SER A 979 13.193 42.893 -5.814 1.00 0.00 H ATOM 8 HN3 SER A 979 12.066 44.964 -3.215 1.00 0.00 H ATOM 9 HN2 SER A 979 12.393 46.587 -2.833 1.00 0.00 H ATOM 10 HN1 SER A 979 13.624 45.423 -2.716 1.00 0.00 H ATOM 11 N MET A 980 12.207 46.866 -6.714 1.00 61.94 N ATOM 12 CA MET A 980 11.141 47.253 -7.643 1.00 64.17 C ATOM 13 C MET A 980 10.257 46.056 -8.001 1.00 56.84 C ATOM 14 O MET A 980 9.043 46.197 -8.136 1.00 54.88 O ATOM 15 CB MET A 980 11.737 47.869 -8.918 1.00 71.79 C ATOM 16 CG MET A 980 10.715 48.329 -9.955 1.00 78.76 C ATOM 17 SD MET A 980 9.620 49.643 -9.375 1.00 88.91 S ATOM 18 CE MET A 980 10.764 51.021 -9.279 1.00 87.96 C ATOM 19 H MET A 980 13.197 46.948 -7.022 1.00 0.00 H ATOM 20 N GLN A 981 10.871 44.884 -8.146 1.00 53.43 N ATOM 21 CA GLN A 981 10.141 43.654 -8.459 1.00 53.43 C ATOM 22 C GLN A 981 9.155 43.288 -7.344 1.00 46.52 C ATOM 23 O GLN A 981 8.051 42.809 -7.614 1.00 45.04 O ATOM 24 CB GLN A 981 11.108 42.484 -8.690 1.00 58.34 C ATOM 25 CG GLN A 981 12.014 42.619 -9.913 1.00 63.23 C ATOM 26 CD GLN A 981 13.249 43.481 -9.674 1.00 67.86 C ATOM 27 OE1 GLN A 981 13.604 44.314 -10.510 1.00 73.53 O ATOM 28 NE2 GLN A 981 13.905 43.288 -8.532 1.00 67.69 N ATOM 29 HE22 GLN A 981 13.570 42.574 -7.854 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.752 43.851 -8.317 1.00 0.00 H ATOM 31 H GLN A 981 11.904 44.840 -8.033 1.00 0.00 H ATOM 32 N GLU A 982 9.564 43.509 -6.097 1.00 43.20 N ATOM 33 CA GLU A 982 8.705 43.255 -4.937 1.00 41.92 C ATOM 34 C GLU A 982 7.584 44.285 -4.842 1.00 40.03 C ATOM 35 O GLU A 982 6.456 43.942 -4.496 1.00 36.50 O ATOM 36 CB GLU A 982 9.527 43.238 -3.647 1.00 41.90 C ATOM 37 CG GLU A 982 10.472 42.049 -3.562 1.00 43.88 C ATOM 38 CD GLU A 982 11.443 42.131 -2.398 1.00 45.41 C ATOM 39 OE1 GLU A 982 11.605 43.224 -1.811 1.00 46.48 O ATOM 40 OE2 GLU A 982 12.054 41.091 -2.078 1.00 43.21 O ATOM 41 H GLU A 982 10.525 43.874 -5.940 1.00 0.00 H ATOM 42 N GLU A 983 7.896 45.542 -5.151 1.00 40.30 N ATOM 43 CA GLU A 983 6.872 46.584 -5.230 1.00 42.10 C ATOM 44 C GLU A 983 5.829 46.248 -6.300 1.00 38.37 C ATOM 45 O GLU A 983 4.635 46.471 -6.095 1.00 35.38 O ATOM 46 CB GLU A 983 7.497 47.949 -5.527 1.00 48.84 C ATOM 47 CG GLU A 983 8.290 48.534 -4.368 1.00 55.24 C ATOM 48 CD GLU A 983 9.053 49.790 -4.753 1.00 63.73 C ATOM 49 OE1 GLU A 983 8.599 50.516 -5.667 1.00 68.11 O ATOM 50 OE2 GLU A 983 10.110 50.054 -4.136 1.00 69.28 O ATOM 51 H GLU A 983 8.889 45.788 -5.340 1.00 0.00 H ATOM 52 N ASP A 984 6.287 45.717 -7.433 1.00 36.47 N ATOM 53 CA ASP A 984 5.387 45.247 -8.487 1.00 36.88 C ATOM 54 C ASP A 984 4.503 44.082 -8.013 1.00 33.37 C ATOM 55 O ASP A 984 3.333 44.007 -8.384 1.00 31.32 O ATOM 56 CB ASP A 984 6.170 44.834 -9.738 1.00 39.12 C ATOM 57 CG ASP A 984 6.735 46.029 -10.510 1.00 42.25 C ATOM 58 OD1 ASP A 984 6.572 47.186 -10.071 1.00 42.96 O ATOM 59 OD2 ASP A 984 7.350 45.802 -11.566 1.00 45.98 O ATOM 60 H ASP A 984 7.314 45.634 -7.572 1.00 0.00 H ATOM 61 N THR A 985 5.069 43.181 -7.206 1.00 31.76 N ATOM 62 CA THR A 985 4.316 42.060 -6.638 1.00 30.25 C ATOM 63 C THR A 985 3.168 42.547 -5.754 1.00 29.48 C ATOM 64 O THR A 985 2.032 42.110 -5.916 1.00 27.70 O ATOM 65 CB THR A 985 5.216 41.111 -5.811 1.00 30.57 C ATOM 66 OG1 THR A 985 6.254 40.587 -6.644 1.00 31.48 O ATOM 67 CG2 THR A 985 4.398 39.942 -5.232 1.00 29.40 C ATOM 68 HG1 THR A 985 5.850 40.086 -7.396 1.00 0.00 H ATOM 69 H THR A 985 6.078 43.278 -6.973 1.00 0.00 H ATOM 70 N PHE A 986 3.467 43.447 -4.821 1.00 29.92 N ATOM 71 CA PHE A 986 2.430 43.979 -3.938 1.00 32.58 C ATOM 72 C PHE A 986 1.392 44.815 -4.697 1.00 32.03 C ATOM 73 O PHE A 986 0.225 44.850 -4.307 1.00 31.86 O ATOM 74 CB PHE A 986 3.038 44.788 -2.788 1.00 33.63 C ATOM 75 CG PHE A 986 3.814 43.957 -1.800 1.00 34.53 C ATOM 76 CD1 PHE A 986 3.280 42.782 -1.277 1.00 34.59 C ATOM 77 CD2 PHE A 986 5.068 44.363 -1.371 1.00 35.22 C ATOM 78 CE1 PHE A 986 3.989 42.025 -0.361 1.00 34.96 C ATOM 79 CE2 PHE A 986 5.778 43.613 -0.450 1.00 36.03 C ATOM 80 CZ PHE A 986 5.240 42.442 0.054 1.00 35.94 C ATOM 81 H PHE A 986 4.448 43.776 -4.719 1.00 0.00 H ATOM 82 N ARG A 987 1.814 45.480 -5.769 1.00 32.53 N ATOM 83 CA ARG A 987 0.879 46.222 -6.606 1.00 33.26 C ATOM 84 C ARG A 987 -0.106 45.281 -7.288 1.00 31.22 C ATOM 85 O ARG A 987 -1.305 45.560 -7.326 1.00 29.96 O ATOM 86 CB ARG A 987 1.615 47.050 -7.651 1.00 35.57 C ATOM 87 CG ARG A 987 0.673 47.849 -8.531 1.00 37.00 C ATOM 88 CD ARG A 987 1.337 49.107 -9.054 1.00 38.50 C ATOM 89 NE ARG A 987 0.354 50.036 -9.593 1.00 39.23 N ATOM 90 CZ ARG A 987 -0.119 49.987 -10.833 1.00 39.40 C ATOM 91 NH1 ARG A 987 0.303 49.053 -11.680 1.00 38.05 N ATOM 92 NH2 ARG A 987 -1.010 50.882 -11.224 1.00 40.00 N ATOM 93 HE ARG A 987 -0.001 50.786 -8.966 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.073 49.022 -12.649 1.00 0.00 H ATOM 95 HH11 ARG A 987 1.009 48.353 -11.373 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.386 50.852 -12.193 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.334 51.616 -10.563 1.00 0.00 H ATOM 98 H ARG A 987 2.825 45.470 -6.013 1.00 0.00 H ATOM 99 N GLU A 988 0.397 44.167 -7.818 1.00 30.30 N ATOM 100 CA GLU A 988 -0.477 43.141 -8.405 1.00 29.80 C ATOM 101 C GLU A 988 -1.435 42.586 -7.351 1.00 28.91 C ATOM 102 O GLU A 988 -2.627 42.419 -7.620 1.00 28.26 O ATOM 103 CB GLU A 988 0.318 42.005 -9.066 1.00 29.72 C ATOM 104 CG GLU A 988 -0.575 40.855 -9.535 1.00 29.33 C ATOM 105 CD GLU A 988 0.066 39.948 -10.567 1.00 31.21 C ATOM 106 OE1 GLU A 988 1.208 40.212 -11.000 1.00 31.97 O ATOM 107 OE2 GLU A 988 -0.590 38.959 -10.957 1.00 31.02 O ATOM 108 H GLU A 988 1.427 44.021 -7.816 1.00 0.00 H ATOM 109 N LEU A 989 -0.918 42.328 -6.147 1.00 29.20 N ATOM 110 CA LEU A 989 -1.758 41.901 -5.028 1.00 28.02 C ATOM 111 C LEU A 989 -2.903 42.886 -4.795 1.00 27.43 C ATOM 112 O LEU A 989 -4.058 42.484 -4.692 1.00 25.20 O ATOM 113 CB LEU A 989 -0.932 41.741 -3.740 1.00 28.98 C ATOM 114 CG LEU A 989 -1.722 41.393 -2.471 1.00 29.59 C ATOM 115 CD1 LEU A 989 -2.369 40.021 -2.595 1.00 29.00 C ATOM 116 CD2 LEU A 989 -0.838 41.475 -1.235 1.00 28.99 C ATOM 117 H LEU A 989 0.106 42.433 -6.001 1.00 0.00 H ATOM 118 N ARG A 990 -2.584 44.177 -4.715 1.00 27.46 N ATOM 119 CA ARG A 990 -3.609 45.195 -4.472 1.00 27.07 C ATOM 120 C ARG A 990 -4.661 45.209 -5.576 1.00 26.34 C ATOM 121 O ARG A 990 -5.854 45.286 -5.295 1.00 27.18 O ATOM 122 CB ARG A 990 -2.979 46.582 -4.295 1.00 27.96 C ATOM 123 CG ARG A 990 -2.140 46.703 -3.031 1.00 28.87 C ATOM 124 CD ARG A 990 -1.768 48.147 -2.728 1.00 29.96 C ATOM 125 NE ARG A 990 -0.923 48.761 -3.754 1.00 30.23 N ATOM 126 CZ ARG A 990 0.409 48.693 -3.802 1.00 31.63 C ATOM 127 NH1 ARG A 990 1.100 48.009 -2.895 1.00 32.38 N ATOM 128 NH2 ARG A 990 1.061 49.313 -4.777 1.00 32.32 N ATOM 129 HE ARG A 990 -1.401 49.295 -4.508 1.00 0.00 H ATOM 130 HH12 ARG A 990 2.138 47.970 -2.953 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.603 47.513 -2.128 1.00 0.00 H ATOM 132 HH22 ARG A 990 2.099 49.265 -4.821 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.534 49.847 -5.497 1.00 0.00 H ATOM 134 H ARG A 990 -1.591 44.467 -4.827 1.00 0.00 H ATOM 135 N ILE A 991 -4.217 45.094 -6.825 1.00 26.91 N ATOM 136 CA ILE A 991 -5.126 45.031 -7.977 1.00 26.97 C ATOM 137 C ILE A 991 -6.069 43.825 -7.869 1.00 25.64 C ATOM 138 O ILE A 991 -7.290 43.957 -8.033 1.00 25.81 O ATOM 139 CB ILE A 991 -4.339 45.001 -9.312 1.00 27.58 C ATOM 140 CG1 ILE A 991 -3.630 46.343 -9.546 1.00 30.13 C ATOM 141 CG2 ILE A 991 -5.267 44.701 -10.480 1.00 27.68 C ATOM 142 CD1 ILE A 991 -2.515 46.277 -10.568 1.00 30.81 C ATOM 143 H ILE A 991 -3.191 45.047 -6.991 1.00 0.00 H ATOM 144 N PHE A 992 -5.504 42.661 -7.562 1.00 24.85 N ATOM 145 CA PHE A 992 -6.290 41.437 -7.342 1.00 25.35 C ATOM 146 C PHE A 992 -7.322 41.601 -6.214 1.00 25.11 C ATOM 147 O PHE A 992 -8.503 41.252 -6.374 1.00 25.28 O ATOM 148 CB PHE A 992 -5.345 40.251 -7.056 1.00 25.83 C ATOM 149 CG PHE A 992 -6.053 38.976 -6.673 1.00 26.54 C ATOM 150 CD1 PHE A 992 -6.714 38.216 -7.628 1.00 27.73 C ATOM 151 CD2 PHE A 992 -6.055 38.535 -5.353 1.00 27.24 C ATOM 152 CE1 PHE A 992 -7.376 37.048 -7.275 1.00 28.14 C ATOM 153 CE2 PHE A 992 -6.712 37.368 -4.996 1.00 28.06 C ATOM 154 CZ PHE A 992 -7.368 36.621 -5.961 1.00 27.74 C ATOM 155 H PHE A 992 -4.469 42.614 -7.474 1.00 0.00 H ATOM 156 N LEU A 993 -6.882 42.144 -5.081 1.00 25.51 N ATOM 157 CA LEU A 993 -7.758 42.308 -3.916 1.00 25.34 C ATOM 158 C LEU A 993 -8.893 43.307 -4.151 1.00 25.73 C ATOM 159 O LEU A 993 -10.013 43.074 -3.708 1.00 25.37 O ATOM 160 CB LEU A 993 -6.949 42.701 -2.675 1.00 26.64 C ATOM 161 CG LEU A 993 -5.959 41.651 -2.159 1.00 27.23 C ATOM 162 CD1 LEU A 993 -5.202 42.181 -0.949 1.00 27.67 C ATOM 163 CD2 LEU A 993 -6.662 40.339 -1.826 1.00 26.31 C ATOM 164 H LEU A 993 -5.893 42.460 -5.020 1.00 0.00 H ATOM 165 N ARG A 994 -8.606 44.407 -4.848 1.00 26.68 N ATOM 166 CA ARG A 994 -9.640 45.383 -5.219 1.00 27.86 C ATOM 167 C ARG A 994 -10.705 44.766 -6.108 1.00 26.80 C ATOM 168 O ARG A 994 -11.891 45.062 -5.964 1.00 26.67 O ATOM 169 CB ARG A 994 -9.043 46.581 -5.965 1.00 29.52 C ATOM 170 CG ARG A 994 -8.327 47.579 -5.086 1.00 31.67 C ATOM 171 CD ARG A 994 -7.973 48.850 -5.842 1.00 32.36 C ATOM 172 NE ARG A 994 -6.831 49.484 -5.203 1.00 32.89 N ATOM 173 CZ ARG A 994 -5.566 49.399 -5.602 1.00 33.16 C ATOM 174 NH1 ARG A 994 -5.224 48.735 -6.707 1.00 32.81 N ATOM 175 NH2 ARG A 994 -4.627 50.011 -4.886 1.00 35.59 N ATOM 176 HE ARG A 994 -7.022 50.057 -4.356 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.226 48.685 -6.996 1.00 0.00 H ATOM 178 HH11 ARG A 994 -5.955 48.267 -7.280 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.631 49.957 -5.180 1.00 0.00 H ATOM 180 HH21 ARG A 994 -4.889 50.543 -4.032 1.00 0.00 H ATOM 181 H ARG A 994 -7.622 44.579 -5.137 1.00 0.00 H ATOM 182 N ASN A 995 -10.275 43.928 -7.046 1.00 27.09 N ATOM 183 CA ASN A 995 -11.198 43.282 -7.971 1.00 27.33 C ATOM 184 C ASN A 995 -12.123 42.310 -7.237 1.00 26.28 C ATOM 185 O ASN A 995 -13.339 42.365 -7.411 1.00 25.60 O ATOM 186 CB ASN A 995 -10.434 42.584 -9.097 1.00 29.74 C ATOM 187 CG ASN A 995 -11.344 41.807 -10.024 1.00 31.79 C ATOM 188 OD1 ASN A 995 -11.515 40.610 -9.855 1.00 30.46 O ATOM 189 ND2 ASN A 995 -11.942 42.493 -11.006 1.00 35.01 N ATOM 190 HD22 ASN A 995 -11.765 43.513 -11.110 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.583 42.006 -11.664 1.00 0.00 H ATOM 192 H ASN A 995 -9.257 43.729 -7.122 1.00 0.00 H ATOM 193 N VAL A 996 -11.549 41.441 -6.403 1.00 25.63 N ATOM 194 CA VAL A 996 -12.345 40.533 -5.567 1.00 24.70 C ATOM 195 C VAL A 996 -13.330 41.320 -4.690 1.00 25.16 C ATOM 196 O VAL A 996 -14.517 40.990 -4.623 1.00 24.95 O ATOM 197 CB VAL A 996 -11.462 39.651 -4.656 1.00 24.92 C ATOM 198 CG1 VAL A 996 -12.329 38.785 -3.741 1.00 25.50 C ATOM 199 CG2 VAL A 996 -10.522 38.786 -5.485 1.00 24.34 C ATOM 200 H VAL A 996 -10.511 41.406 -6.343 1.00 0.00 H ATOM 201 N THR A 997 -12.837 42.370 -4.039 1.00 25.82 N ATOM 202 CA THR A 997 -13.658 43.161 -3.115 1.00 26.40 C ATOM 203 C THR A 997 -14.809 43.864 -3.842 1.00 27.73 C ATOM 204 O THR A 997 -15.935 43.884 -3.343 1.00 27.87 O ATOM 205 CB THR A 997 -12.805 44.185 -2.341 1.00 26.49 C ATOM 206 OG1 THR A 997 -11.660 43.529 -1.777 1.00 25.51 O ATOM 207 CG2 THR A 997 -13.619 44.839 -1.226 1.00 26.90 C ATOM 208 HG1 THR A 997 -11.118 43.131 -2.504 1.00 0.00 H ATOM 209 H THR A 997 -11.843 42.637 -4.189 1.00 0.00 H ATOM 210 N HIS A 998 -14.532 44.409 -5.027 1.00 28.66 N ATOM 211 CA HIS A 998 -15.574 45.021 -5.861 1.00 30.74 C ATOM 212 C HIS A 998 -16.649 44.036 -6.246 1.00 29.04 C ATOM 213 O HIS A 998 -17.836 44.366 -6.232 1.00 29.46 O ATOM 214 CB HIS A 998 -14.961 45.653 -7.113 1.00 34.19 C ATOM 215 CG HIS A 998 -15.981 46.203 -8.084 1.00 38.61 C ATOM 216 ND1 HIS A 998 -16.587 47.392 -7.903 1.00 42.37 N ATOM 217 CD2 HIS A 998 -16.493 45.678 -9.272 1.00 42.03 C ATOM 218 CE1 HIS A 998 -17.443 47.618 -8.918 1.00 43.19 C ATOM 219 NE2 HIS A 998 -17.383 46.569 -9.756 1.00 42.96 N ATOM 220 H HIS A 998 -13.550 44.400 -5.370 1.00 0.00 H ATOM 221 N ARG A 999 -16.252 42.812 -6.584 1.00 28.18 N ATOM 222 CA ARG A 999 -17.218 41.775 -6.965 1.00 27.98 C ATOM 223 C ARG A 999 -18.109 41.350 -5.800 1.00 27.49 C ATOM 224 O ARG A 999 -19.289 41.052 -5.990 1.00 28.76 O ATOM 225 CB ARG A 999 -16.501 40.574 -7.574 1.00 28.62 C ATOM 226 CG ARG A 999 -16.045 40.853 -8.992 1.00 30.36 C ATOM 227 CD ARG A 999 -14.808 40.062 -9.359 1.00 29.66 C ATOM 228 NE ARG A 999 -15.099 38.644 -9.498 1.00 28.77 N ATOM 229 CZ ARG A 999 -14.175 37.702 -9.648 1.00 29.01 C ATOM 230 NH1 ARG A 999 -12.887 38.023 -9.686 1.00 28.59 N ATOM 231 NH2 ARG A 999 -14.546 36.433 -9.766 1.00 29.45 N ATOM 232 HE ARG A 999 -16.096 38.348 -9.479 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.169 37.280 -9.804 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.596 39.018 -9.598 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.828 35.690 -9.884 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.555 36.182 -9.741 1.00 0.00 H ATOM 237 H ARG A 999 -15.237 42.586 -6.578 1.00 0.00 H ATOM 238 N LEU A1000 -17.552 41.345 -4.593 1.00 26.50 N ATOM 239 CA LEU A1000 -18.349 41.113 -3.395 1.00 26.63 C ATOM 240 C LEU A1000 -19.278 42.305 -3.142 1.00 27.76 C ATOM 241 O LEU A1000 -20.469 42.119 -2.884 1.00 27.47 O ATOM 242 CB LEU A1000 -17.450 40.862 -2.176 1.00 25.40 C ATOM 243 CG LEU A1000 -16.543 39.630 -2.274 1.00 25.65 C ATOM 244 CD1 LEU A1000 -15.592 39.574 -1.090 1.00 25.81 C ATOM 245 CD2 LEU A1000 -17.365 38.349 -2.386 1.00 25.87 C ATOM 246 H LEU A1000 -16.529 41.510 -4.502 1.00 0.00 H ATOM 247 N ALA A1001 -18.736 43.518 -3.248 1.00 28.22 N ATOM 248 CA ALA A1001 -19.476 44.738 -2.904 1.00 29.39 C ATOM 249 C ALA A1001 -20.667 45.039 -3.817 1.00 31.27 C ATOM 250 O ALA A1001 -21.616 45.679 -3.381 1.00 32.18 O ATOM 251 CB ALA A1001 -18.538 45.943 -2.855 1.00 28.87 C ATOM 252 H ALA A1001 -17.756 43.603 -3.586 1.00 0.00 H ATOM 253 N ILE A1002 -20.622 44.587 -5.068 1.00 32.49 N ATOM 254 CA ILE A1002 -21.731 44.816 -5.997 1.00 34.85 C ATOM 255 C ILE A1002 -22.812 43.730 -5.911 1.00 35.85 C ATOM 256 O ILE A1002 -23.847 43.841 -6.558 1.00 36.97 O ATOM 257 CB ILE A1002 -21.254 44.968 -7.463 1.00 35.83 C ATOM 258 CG1 ILE A1002 -20.685 43.651 -8.015 1.00 36.33 C ATOM 259 CG2 ILE A1002 -20.244 46.102 -7.569 1.00 36.67 C ATOM 260 CD1 ILE A1002 -20.120 43.763 -9.417 1.00 37.96 C ATOM 261 H ILE A1002 -19.785 44.062 -5.392 1.00 0.00 H ATOM 262 N ASP A1003 -22.569 42.683 -5.126 1.00 34.72 N ATOM 263 CA ASP A1003 -23.555 41.624 -4.939 1.00 34.45 C ATOM 264 C ASP A1003 -24.623 42.106 -3.956 1.00 35.79 C ATOM 265 O ASP A1003 -24.310 42.453 -2.816 1.00 32.93 O ATOM 266 CB ASP A1003 -22.871 40.357 -4.419 1.00 34.49 C ATOM 267 CG ASP A1003 -23.767 39.138 -4.481 1.00 34.24 C ATOM 268 OD1 ASP A1003 -24.924 39.222 -4.029 1.00 34.79 O ATOM 269 OD2 ASP A1003 -23.305 38.086 -4.971 1.00 35.19 O ATOM 270 H ASP A1003 -21.655 42.618 -4.634 1.00 0.00 H ATOM 271 N LYS A1004 -25.880 42.113 -4.400 1.00 37.73 N ATOM 272 CA LYS A1004 -26.996 42.635 -3.602 1.00 39.32 C ATOM 273 C LYS A1004 -27.115 42.011 -2.210 1.00 35.28 C ATOM 274 O LYS A1004 -27.456 42.700 -1.262 1.00 34.86 O ATOM 275 CB LYS A1004 -28.323 42.473 -4.354 1.00 44.59 C ATOM 276 CG LYS A1004 -28.517 43.481 -5.474 1.00 50.68 C ATOM 277 CD LYS A1004 -29.837 43.263 -6.204 1.00 55.50 C ATOM 278 CE LYS A1004 -30.012 44.261 -7.341 1.00 59.24 C ATOM 279 NZ LYS A1004 -31.244 44.001 -8.140 1.00 63.10 N ATOM 280 HZ1 LYS A1004 -31.193 43.048 -8.553 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -32.077 44.068 -7.522 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.318 44.706 -8.901 1.00 0.00 H ATOM 283 H LYS A1004 -26.078 41.734 -5.348 1.00 0.00 H ATOM 284 N ARG A1005 -26.819 40.718 -2.095 1.00 34.42 N ATOM 285 CA ARG A1005 -26.856 40.012 -0.806 1.00 33.61 C ATOM 286 C ARG A1005 -25.955 40.636 0.254 1.00 33.76 C ATOM 287 O ARG A1005 -26.233 40.527 1.446 1.00 34.71 O ATOM 288 CB ARG A1005 -26.413 38.558 -0.977 1.00 34.01 C ATOM 289 CG ARG A1005 -27.332 37.700 -1.830 1.00 34.86 C ATOM 290 CD ARG A1005 -26.734 36.320 -2.023 1.00 34.25 C ATOM 291 NE ARG A1005 -25.504 36.363 -2.807 1.00 34.83 N ATOM 292 CZ ARG A1005 -24.679 35.331 -2.981 1.00 36.03 C ATOM 293 NH1 ARG A1005 -24.939 34.152 -2.426 1.00 37.04 N ATOM 294 NH2 ARG A1005 -23.579 35.478 -3.714 1.00 36.31 N ATOM 295 HE ARG A1005 -25.253 37.264 -3.263 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.287 33.355 -2.570 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.794 34.027 -1.848 1.00 0.00 H ATOM 298 HH22 ARG A1005 -22.934 34.674 -3.851 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.364 36.397 -4.150 1.00 0.00 H ATOM 300 H ARG A1005 -26.552 40.188 -2.949 1.00 0.00 H ATOM 301 N PHE A1006 -24.869 41.267 -0.185 1.00 32.26 N ATOM 302 CA PHE A1006 -23.830 41.750 0.717 1.00 32.66 C ATOM 303 C PHE A1006 -23.872 43.261 0.952 1.00 33.84 C ATOM 304 O PHE A1006 -22.923 43.830 1.502 1.00 32.61 O ATOM 305 CB PHE A1006 -22.458 41.325 0.179 1.00 30.51 C ATOM 306 CG PHE A1006 -22.364 39.855 -0.163 1.00 31.08 C ATOM 307 CD1 PHE A1006 -23.050 38.896 0.582 1.00 30.21 C ATOM 308 CD2 PHE A1006 -21.568 39.426 -1.217 1.00 30.56 C ATOM 309 CE1 PHE A1006 -22.956 37.553 0.261 1.00 30.71 C ATOM 310 CE2 PHE A1006 -21.467 38.087 -1.537 1.00 30.89 C ATOM 311 CZ PHE A1006 -22.161 37.147 -0.796 1.00 31.08 C ATOM 312 H PHE A1006 -24.757 41.421 -1.207 1.00 0.00 H ATOM 313 N ARG A1007 -24.973 43.903 0.565 1.00 35.65 N ATOM 314 CA ARG A1007 -25.125 45.353 0.727 1.00 37.82 C ATOM 315 C ARG A1007 -24.883 45.795 2.170 1.00 36.20 C ATOM 316 O ARG A1007 -24.217 46.802 2.406 1.00 35.49 O ATOM 317 CB ARG A1007 -26.518 45.807 0.270 1.00 43.58 C ATOM 318 CG ARG A1007 -26.707 47.321 0.234 1.00 49.34 C ATOM 319 CD ARG A1007 -28.161 47.732 0.431 1.00 57.31 C ATOM 320 NE ARG A1007 -28.761 47.102 1.612 1.00 65.71 N ATOM 321 CZ ARG A1007 -28.528 47.450 2.881 1.00 69.17 C ATOM 322 NH1 ARG A1007 -27.699 48.449 3.186 1.00 69.36 N ATOM 323 NH2 ARG A1007 -29.133 46.788 3.862 1.00 69.13 N ATOM 324 HE ARG A1007 -29.424 46.318 1.448 1.00 0.00 H ATOM 325 HH12 ARG A1007 -27.533 48.702 4.181 1.00 0.00 H ATOM 326 HH11 ARG A1007 -27.218 48.975 2.429 1.00 0.00 H ATOM 327 HH22 ARG A1007 -28.958 47.052 4.853 1.00 0.00 H ATOM 328 HH21 ARG A1007 -29.782 46.006 3.639 1.00 0.00 H ATOM 329 H ARG A1007 -25.749 43.360 0.135 1.00 0.00 H ATOM 330 N VAL A1008 -25.410 45.030 3.124 1.00 35.40 N ATOM 331 CA VAL A1008 -25.261 45.339 4.550 1.00 36.36 C ATOM 332 C VAL A1008 -23.792 45.371 5.010 1.00 35.75 C ATOM 333 O VAL A1008 -23.472 46.022 6.002 1.00 36.52 O ATOM 334 CB VAL A1008 -26.078 44.352 5.428 1.00 38.30 C ATOM 335 CG1 VAL A1008 -25.529 42.935 5.321 1.00 38.78 C ATOM 336 CG2 VAL A1008 -26.113 44.805 6.880 1.00 40.85 C ATOM 337 H VAL A1008 -25.947 44.183 2.848 1.00 0.00 H ATOM 338 N PHE A1009 -22.908 44.684 4.285 1.00 34.21 N ATOM 339 CA PHE A1009 -21.481 44.645 4.627 1.00 33.56 C ATOM 340 C PHE A1009 -20.630 45.670 3.859 1.00 32.81 C ATOM 341 O PHE A1009 -19.411 45.687 4.011 1.00 31.73 O ATOM 342 CB PHE A1009 -20.917 43.236 4.392 1.00 33.64 C ATOM 343 CG PHE A1009 -21.742 42.135 5.011 1.00 33.94 C ATOM 344 CD1 PHE A1009 -21.929 42.076 6.386 1.00 33.66 C ATOM 345 CD2 PHE A1009 -22.331 41.156 4.215 1.00 34.21 C ATOM 346 CE1 PHE A1009 -22.698 41.071 6.955 1.00 33.92 C ATOM 347 CE2 PHE A1009 -23.093 40.145 4.781 1.00 34.29 C ATOM 348 CZ PHE A1009 -23.276 40.103 6.152 1.00 34.85 C ATOM 349 H PHE A1009 -23.240 44.159 3.451 1.00 0.00 H ATOM 350 N THR A1010 -21.256 46.525 3.049 1.00 34.19 N ATOM 351 CA THR A1010 -20.502 47.430 2.174 1.00 36.03 C ATOM 352 C THR A1010 -20.044 48.721 2.854 1.00 39.76 C ATOM 353 O THR A1010 -19.092 49.347 2.397 1.00 41.38 O ATOM 354 CB THR A1010 -21.295 47.803 0.910 1.00 35.92 C ATOM 355 OG1 THR A1010 -22.540 48.410 1.283 1.00 35.24 O ATOM 356 CG2 THR A1010 -21.548 46.564 0.053 1.00 35.61 C ATOM 357 HG1 THR A1010 -23.067 47.772 1.826 1.00 0.00 H ATOM 358 H THR A1010 -22.296 46.551 3.037 1.00 0.00 H ATOM 359 N LYS A1011 -20.719 49.117 3.928 1.00 42.96 N ATOM 360 CA LYS A1011 -20.391 50.350 4.645 1.00 46.75 C ATOM 361 C LYS A1011 -20.368 50.064 6.144 1.00 45.71 C ATOM 362 O LYS A1011 -21.003 49.114 6.599 1.00 41.39 O ATOM 363 CB LYS A1011 -21.428 51.444 4.350 1.00 51.34 C ATOM 364 CG LYS A1011 -21.695 51.711 2.874 1.00 57.21 C ATOM 365 CD LYS A1011 -20.553 52.450 2.184 1.00 61.67 C ATOM 366 CE LYS A1011 -20.758 53.958 2.194 1.00 66.40 C ATOM 367 NZ LYS A1011 -19.769 54.654 1.323 1.00 68.80 N ATOM 368 HZ1 LYS A1011 -18.807 54.451 1.662 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -19.871 54.315 0.345 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -19.941 55.679 1.356 1.00 0.00 H ATOM 371 H LYS A1011 -21.507 48.531 4.271 1.00 0.00 H ATOM 372 N PRO A1012 -19.643 50.890 6.922 1.00 48.94 N ATOM 373 CA PRO A1012 -19.690 50.706 8.375 1.00 52.19 C ATOM 374 C PRO A1012 -21.100 50.927 8.930 1.00 53.42 C ATOM 375 O PRO A1012 -21.907 51.624 8.310 1.00 51.78 O ATOM 376 CB PRO A1012 -18.705 51.760 8.910 1.00 53.82 C ATOM 377 CG PRO A1012 -18.517 52.741 7.804 1.00 53.38 C ATOM 378 CD PRO A1012 -18.745 51.991 6.524 1.00 51.37 C ATOM 379 N VAL A1013 -21.390 50.321 10.078 1.00 57.92 N ATOM 380 CA VAL A1013 -22.706 50.444 10.710 1.00 63.27 C ATOM 381 C VAL A1013 -22.905 51.868 11.238 1.00 69.18 C ATOM 382 O VAL A1013 -22.032 52.411 11.917 1.00 72.75 O ATOM 383 CB VAL A1013 -22.884 49.433 11.866 1.00 61.47 C ATOM 384 CG1 VAL A1013 -24.273 49.553 12.474 1.00 60.72 C ATOM 385 CG2 VAL A1013 -22.646 48.011 11.378 1.00 59.45 C ATOM 386 H VAL A1013 -20.660 49.742 10.541 1.00 0.00 H ATOM 387 N ASP A1014 -24.053 52.462 10.917 1.00 76.26 N ATOM 388 CA ASP A1014 -24.370 53.835 11.319 1.00 83.63 C ATOM 389 C ASP A1014 -24.667 53.892 12.824 1.00 85.56 C ATOM 390 O ASP A1014 -25.592 53.220 13.290 1.00 82.96 O ATOM 391 CB ASP A1014 -25.579 54.340 10.516 1.00 87.69 C ATOM 392 CG ASP A1014 -25.853 55.830 10.710 1.00 92.33 C ATOM 393 OD1 ASP A1014 -25.053 56.531 11.366 1.00 92.76 O ATOM 394 OD2 ASP A1014 -26.885 56.306 10.191 1.00 94.71 O ATOM 395 H ASP A1014 -24.752 51.931 10.359 1.00 0.00 H ATOM 396 N PRO A1015 -23.889 54.692 13.590 1.00 89.64 N ATOM 397 CA PRO A1015 -24.115 54.767 15.042 1.00 93.11 C ATOM 398 C PRO A1015 -25.513 55.252 15.444 1.00 95.47 C ATOM 399 O PRO A1015 -25.997 54.900 16.519 1.00 96.00 O ATOM 400 CB PRO A1015 -23.043 55.761 15.521 1.00 93.42 C ATOM 401 CG PRO A1015 -22.624 56.507 14.303 1.00 92.38 C ATOM 402 CD PRO A1015 -22.736 55.517 13.185 1.00 90.41 C ATOM 403 N ASP A1016 -26.150 56.047 14.589 1.00 97.69 N ATOM 404 CA ASP A1016 -27.506 56.533 14.851 1.00100.28 C ATOM 405 C ASP A1016 -28.528 55.413 14.675 1.00 98.86 C ATOM 406 O ASP A1016 -29.481 55.307 15.448 1.00 99.54 O ATOM 407 CB ASP A1016 -27.847 57.705 13.925 1.00101.91 C ATOM 408 CG ASP A1016 -26.833 58.836 14.009 1.00102.13 C ATOM 409 OD1 ASP A1016 -26.233 59.033 15.088 1.00100.66 O ATOM 410 OD2 ASP A1016 -26.634 59.527 12.989 1.00102.84 O ATOM 411 H ASP A1016 -25.672 56.331 13.710 1.00 0.00 H ATOM 412 N GLU A1017 -28.320 54.579 13.659 1.00 96.45 N ATOM 413 CA GLU A1017 -29.199 53.441 13.396 1.00 95.65 C ATOM 414 C GLU A1017 -28.988 52.339 14.433 1.00 91.97 C ATOM 415 O GLU A1017 -29.953 51.806 14.984 1.00 91.39 O ATOM 416 CB GLU A1017 -28.955 52.878 11.993 1.00 98.18 C ATOM 417 CG GLU A1017 -29.180 53.868 10.856 1.00100.59 C ATOM 418 CD GLU A1017 -30.610 54.366 10.766 1.00104.69 C ATOM 419 OE1 GLU A1017 -31.544 53.560 10.967 1.00107.30 O ATOM 420 OE2 GLU A1017 -30.803 55.567 10.484 1.00107.28 O ATOM 421 H GLU A1017 -27.506 54.742 13.032 1.00 0.00 H ATOM 422 N VAL A1018 -27.723 52.004 14.685 1.00 86.79 N ATOM 423 CA VAL A1018 -27.359 50.968 15.652 1.00 81.63 C ATOM 424 C VAL A1018 -26.347 51.534 16.659 1.00 79.84 C ATOM 425 O VAL A1018 -25.138 51.476 16.427 1.00 75.75 O ATOM 426 CB VAL A1018 -26.769 49.731 14.944 1.00 79.90 C ATOM 427 CG1 VAL A1018 -26.657 48.571 15.916 1.00 78.97 C ATOM 428 CG2 VAL A1018 -27.626 49.333 13.750 1.00 79.22 C ATOM 429 H VAL A1018 -26.964 52.499 14.174 1.00 0.00 H ATOM 430 N PRO A1019 -26.841 52.089 17.785 1.00 79.62 N ATOM 431 CA PRO A1019 -25.962 52.761 18.751 1.00 77.37 C ATOM 432 C PRO A1019 -25.084 51.832 19.590 1.00 72.51 C ATOM 433 O PRO A1019 -23.988 52.231 19.983 1.00 71.30 O ATOM 434 CB PRO A1019 -26.944 53.526 19.645 1.00 81.12 C ATOM 435 CG PRO A1019 -28.208 52.742 19.576 1.00 81.49 C ATOM 436 CD PRO A1019 -28.256 52.129 18.205 1.00 80.18 C ATOM 437 N ASP A1020 -25.552 50.614 19.858 1.00 69.46 N ATOM 438 CA ASP A1020 -24.787 49.664 20.673 1.00 69.90 C ATOM 439 C ASP A1020 -23.824 48.775 19.867 1.00 66.09 C ATOM 440 O ASP A1020 -23.207 47.874 20.438 1.00 64.60 O ATOM 441 CB ASP A1020 -25.729 48.785 21.511 1.00 72.16 C ATOM 442 CG ASP A1020 -26.422 47.712 20.690 1.00 73.99 C ATOM 443 OD1 ASP A1020 -26.947 48.038 19.606 1.00 78.40 O ATOM 444 OD2 ASP A1020 -26.447 46.544 21.135 1.00 73.60 O ATOM 445 H ASP A1020 -26.479 50.331 19.482 1.00 0.00 H ATOM 446 N TYR A1021 -23.689 49.016 18.561 1.00 62.70 N ATOM 447 CA TYR A1021 -22.794 48.199 17.731 1.00 59.78 C ATOM 448 C TYR A1021 -21.337 48.420 18.122 1.00 59.74 C ATOM 449 O TYR A1021 -20.618 47.460 18.397 1.00 56.12 O ATOM 450 CB TYR A1021 -22.977 48.482 16.233 1.00 56.57 C ATOM 451 CG TYR A1021 -22.272 47.464 15.358 1.00 52.10 C ATOM 452 CD1 TYR A1021 -22.895 46.269 15.011 1.00 50.58 C ATOM 453 CD2 TYR A1021 -20.974 47.684 14.903 1.00 50.80 C ATOM 454 CE1 TYR A1021 -22.254 45.326 14.224 1.00 49.33 C ATOM 455 CE2 TYR A1021 -20.321 46.747 14.113 1.00 48.45 C ATOM 456 CZ TYR A1021 -20.965 45.570 13.777 1.00 46.84 C ATOM 457 OH TYR A1021 -20.329 44.630 13.002 1.00 43.45 O ATOM 458 HH TYR A1021 -20.932 43.858 12.861 1.00 0.00 H ATOM 459 H TYR A1021 -24.225 49.793 18.125 1.00 0.00 H ATOM 460 N VAL A1022 -20.923 49.687 18.153 1.00 65.02 N ATOM 461 CA VAL A1022 -19.550 50.073 18.518 1.00 69.05 C ATOM 462 C VAL A1022 -19.106 49.519 19.880 1.00 69.26 C ATOM 463 O VAL A1022 -17.927 49.216 20.069 1.00 69.70 O ATOM 464 CB VAL A1022 -19.373 51.615 18.492 1.00 73.33 C ATOM 465 CG1 VAL A1022 -18.193 52.058 19.347 1.00 76.09 C ATOM 466 CG2 VAL A1022 -19.197 52.101 17.061 1.00 73.80 C ATOM 467 H VAL A1022 -21.601 50.437 17.908 1.00 0.00 H ATOM 468 N THR A1023 -20.043 49.379 20.816 1.00 70.09 N ATOM 469 CA THR A1023 -19.733 48.812 22.133 1.00 70.35 C ATOM 470 C THR A1023 -19.679 47.275 22.126 1.00 64.72 C ATOM 471 O THR A1023 -18.870 46.687 22.843 1.00 64.59 O ATOM 472 CB THR A1023 -20.714 49.311 23.221 1.00 73.51 C ATOM 473 OG1 THR A1023 -22.062 49.248 22.738 1.00 75.17 O ATOM 474 CG2 THR A1023 -20.391 50.748 23.613 1.00 75.87 C ATOM 475 HG1 THR A1023 -22.284 48.312 22.505 1.00 0.00 H ATOM 476 H THR A1023 -21.017 49.679 20.608 1.00 0.00 H ATOM 477 N VAL A1024 -20.519 46.630 21.317 1.00 59.43 N ATOM 478 CA VAL A1024 -20.538 45.160 21.241 1.00 56.81 C ATOM 479 C VAL A1024 -19.401 44.600 20.376 1.00 54.28 C ATOM 480 O VAL A1024 -18.695 43.676 20.786 1.00 56.15 O ATOM 481 CB VAL A1024 -21.886 44.634 20.704 1.00 55.73 C ATOM 482 CG1 VAL A1024 -21.837 43.123 20.514 1.00 53.72 C ATOM 483 CG2 VAL A1024 -23.018 45.017 21.648 1.00 56.96 C ATOM 484 H VAL A1024 -21.176 47.178 20.726 1.00 0.00 H ATOM 485 N ILE A1025 -19.237 45.152 19.177 1.00 50.13 N ATOM 486 CA ILE A1025 -18.210 44.688 18.244 1.00 47.55 C ATOM 487 C ILE A1025 -16.963 45.564 18.366 1.00 47.59 C ATOM 488 O ILE A1025 -16.999 46.754 18.050 1.00 47.83 O ATOM 489 CB ILE A1025 -18.733 44.696 16.793 1.00 45.04 C ATOM 490 CG1 ILE A1025 -19.910 43.721 16.647 1.00 44.39 C ATOM 491 CG2 ILE A1025 -17.624 44.335 15.818 1.00 42.54 C ATOM 492 CD1 ILE A1025 -19.584 42.286 17.012 1.00 42.57 C ATOM 493 H ILE A1025 -19.858 45.937 18.894 1.00 0.00 H ATOM 494 N LYS A1026 -15.865 44.963 18.824 1.00 48.25 N ATOM 495 CA LYS A1026 -14.645 45.709 19.160 1.00 49.76 C ATOM 496 C LYS A1026 -13.792 46.075 17.951 1.00 48.69 C ATOM 497 O LYS A1026 -13.029 47.044 18.000 1.00 49.14 O ATOM 498 CB LYS A1026 -13.800 44.919 20.165 1.00 51.07 C ATOM 499 CG LYS A1026 -14.523 44.603 21.466 1.00 52.67 C ATOM 500 CD LYS A1026 -15.076 45.862 22.114 1.00 54.35 C ATOM 501 CE LYS A1026 -15.753 45.568 23.435 1.00 55.09 C ATOM 502 NZ LYS A1026 -16.500 46.764 23.910 1.00 55.71 N ATOM 503 HZ1 LYS A1026 -15.839 47.557 24.036 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -17.222 47.022 23.208 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.959 46.547 24.817 1.00 0.00 H ATOM 506 H LYS A1026 -15.872 43.930 18.948 1.00 0.00 H ATOM 507 N GLN A1027 -13.909 45.303 16.874 1.00 46.61 N ATOM 508 CA GLN A1027 -13.214 45.629 15.639 1.00 46.46 C ATOM 509 C GLN A1027 -14.162 45.548 14.444 1.00 45.06 C ATOM 510 O GLN A1027 -14.178 44.550 13.717 1.00 42.78 O ATOM 511 CB GLN A1027 -11.991 44.731 15.446 1.00 46.82 C ATOM 512 CG GLN A1027 -11.121 45.193 14.294 1.00 46.37 C ATOM 513 CD GLN A1027 -9.735 44.590 14.294 1.00 47.20 C ATOM 514 OE1 GLN A1027 -8.842 45.099 13.620 1.00 45.95 O ATOM 515 NE2 GLN A1027 -9.545 43.503 15.041 1.00 46.96 N ATOM 516 HE22 GLN A1027 -10.332 43.108 15.595 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.610 43.049 15.070 1.00 0.00 H ATOM 518 H GLN A1027 -14.507 44.453 16.916 1.00 0.00 H ATOM 519 N PRO A1028 -14.962 46.607 14.239 1.00 44.83 N ATOM 520 CA PRO A1028 -15.860 46.648 13.091 1.00 42.41 C ATOM 521 C PRO A1028 -15.075 46.553 11.791 1.00 39.97 C ATOM 522 O PRO A1028 -13.962 47.076 11.698 1.00 36.76 O ATOM 523 CB PRO A1028 -16.538 48.021 13.211 1.00 44.63 C ATOM 524 CG PRO A1028 -16.358 48.426 14.634 1.00 47.33 C ATOM 525 CD PRO A1028 -15.048 47.834 15.048 1.00 47.14 C ATOM 526 N MET A1029 -15.642 45.868 10.808 1.00 36.21 N ATOM 527 CA MET A1029 -15.017 45.765 9.495 1.00 35.04 C ATOM 528 C MET A1029 -16.100 45.696 8.433 1.00 33.18 C ATOM 529 O MET A1029 -17.183 45.185 8.679 1.00 33.72 O ATOM 530 CB MET A1029 -14.106 44.534 9.420 1.00 34.47 C ATOM 531 CG MET A1029 -13.234 44.456 8.169 1.00 34.04 C ATOM 532 SD MET A1029 -12.208 45.912 7.848 1.00 35.42 S ATOM 533 CE MET A1029 -11.254 45.991 9.366 1.00 37.27 C ATOM 534 H MET A1029 -16.552 45.394 10.977 1.00 0.00 H ATOM 535 N ASP A1030 -15.802 46.240 7.262 1.00 33.96 N ATOM 536 CA ASP A1030 -16.747 46.264 6.148 1.00 34.72 C ATOM 537 C ASP A1030 -15.958 46.399 4.853 1.00 33.67 C ATOM 538 O ASP A1030 -14.754 46.673 4.881 1.00 33.61 O ATOM 539 CB ASP A1030 -17.717 47.436 6.301 1.00 36.17 C ATOM 540 CG ASP A1030 -17.027 48.776 6.177 1.00 37.93 C ATOM 541 OD1 ASP A1030 -16.431 49.247 7.169 1.00 41.50 O ATOM 542 OD2 ASP A1030 -17.076 49.358 5.080 1.00 38.14 O ATOM 543 H ASP A1030 -14.862 46.665 7.131 1.00 0.00 H ATOM 544 N LEU A1031 -16.634 46.229 3.723 1.00 31.11 N ATOM 545 CA LEU A1031 -15.947 46.195 2.431 1.00 30.93 C ATOM 546 C LEU A1031 -15.377 47.551 1.985 1.00 32.51 C ATOM 547 O LEU A1031 -14.381 47.578 1.265 1.00 31.80 O ATOM 548 CB LEU A1031 -16.855 45.604 1.347 1.00 29.26 C ATOM 549 CG LEU A1031 -17.301 44.155 1.592 1.00 29.67 C ATOM 550 CD1 LEU A1031 -18.375 43.738 0.590 1.00 28.53 C ATOM 551 CD2 LEU A1031 -16.108 43.205 1.539 1.00 28.27 C ATOM 552 H LEU A1031 -17.668 46.118 3.756 1.00 0.00 H ATOM 553 N SER A1032 -15.983 48.668 2.397 1.00 34.83 N ATOM 554 CA SER A1032 -15.394 49.980 2.079 1.00 36.24 C ATOM 555 C SER A1032 -14.105 50.184 2.871 1.00 35.74 C ATOM 556 O SER A1032 -13.138 50.739 2.355 1.00 35.83 O ATOM 557 CB SER A1032 -16.378 51.129 2.342 1.00 38.23 C ATOM 558 OG SER A1032 -16.678 51.261 3.720 1.00 39.88 O ATOM 559 HG SER A1032 -17.085 50.421 4.050 1.00 0.00 H ATOM 560 H SER A1032 -16.868 48.611 2.941 1.00 0.00 H ATOM 561 N SER A1033 -14.096 49.727 4.120 1.00 35.34 N ATOM 562 CA SER A1033 -12.892 49.781 4.946 1.00 36.14 C ATOM 563 C SER A1033 -11.801 48.886 4.374 1.00 34.13 C ATOM 564 O SER A1033 -10.628 49.259 4.380 1.00 34.25 O ATOM 565 CB SER A1033 -13.193 49.385 6.391 1.00 36.32 C ATOM 566 OG SER A1033 -14.047 50.338 6.994 1.00 39.30 O ATOM 567 HG SER A1033 -14.896 50.385 6.488 1.00 0.00 H ATOM 568 H SER A1033 -14.967 49.321 4.518 1.00 0.00 H ATOM 569 N VAL A1034 -12.189 47.716 3.876 1.00 32.22 N ATOM 570 CA VAL A1034 -11.237 46.814 3.228 1.00 31.31 C ATOM 571 C VAL A1034 -10.584 47.495 2.027 1.00 29.69 C ATOM 572 O VAL A1034 -9.367 47.403 1.859 1.00 29.64 O ATOM 573 CB VAL A1034 -11.890 45.472 2.826 1.00 31.52 C ATOM 574 CG1 VAL A1034 -10.962 44.654 1.938 1.00 30.56 C ATOM 575 CG2 VAL A1034 -12.255 44.677 4.071 1.00 31.12 C ATOM 576 H VAL A1034 -13.188 47.437 3.948 1.00 0.00 H ATOM 577 N ILE A1035 -11.377 48.187 1.206 1.00 30.75 N ATOM 578 CA ILE A1035 -10.830 48.915 0.058 1.00 31.62 C ATOM 579 C ILE A1035 -9.843 49.988 0.515 1.00 31.19 C ATOM 580 O ILE A1035 -8.764 50.117 -0.054 1.00 30.23 O ATOM 581 CB ILE A1035 -11.937 49.538 -0.816 1.00 33.19 C ATOM 582 CG1 ILE A1035 -12.678 48.437 -1.577 1.00 34.01 C ATOM 583 CG2 ILE A1035 -11.352 50.533 -1.808 1.00 33.76 C ATOM 584 CD1 ILE A1035 -13.524 48.953 -2.716 1.00 36.15 C ATOM 585 H ILE A1035 -12.401 48.210 1.384 1.00 0.00 H ATOM 586 N SER A1036 -10.201 50.745 1.554 1.00 32.23 N ATOM 587 CA SER A1036 -9.290 51.757 2.102 1.00 33.18 C ATOM 588 C SER A1036 -7.974 51.121 2.555 1.00 32.50 C ATOM 589 O SER A1036 -6.898 51.654 2.288 1.00 33.64 O ATOM 590 CB SER A1036 -9.928 52.504 3.275 1.00 35.65 C ATOM 591 OG SER A1036 -11.047 53.256 2.848 1.00 38.48 O ATOM 592 HG SER A1036 -11.441 53.729 3.624 1.00 0.00 H ATOM 593 H SER A1036 -11.140 50.616 1.982 1.00 0.00 H ATOM 594 N LYS A1037 -8.070 49.974 3.225 1.00 31.65 N ATOM 595 CA LYS A1037 -6.892 49.264 3.720 1.00 31.15 C ATOM 596 C LYS A1037 -5.999 48.740 2.588 1.00 30.41 C ATOM 597 O LYS A1037 -4.771 48.803 2.681 1.00 28.46 O ATOM 598 CB LYS A1037 -7.309 48.134 4.668 1.00 31.40 C ATOM 599 CG LYS A1037 -7.790 48.643 6.023 1.00 32.69 C ATOM 600 CD LYS A1037 -8.108 47.515 6.993 1.00 32.95 C ATOM 601 CE LYS A1037 -6.846 46.820 7.485 1.00 33.59 C ATOM 602 NZ LYS A1037 -7.118 45.896 8.614 1.00 32.68 N ATOM 603 HZ1 LYS A1037 -7.523 46.431 9.408 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.791 45.165 8.308 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.229 45.447 8.914 1.00 0.00 H ATOM 606 H LYS A1037 -9.012 49.571 3.402 1.00 0.00 H ATOM 607 N ILE A1038 -6.611 48.245 1.514 1.00 29.99 N ATOM 608 CA ILE A1038 -5.851 47.843 0.332 1.00 28.67 C ATOM 609 C ILE A1038 -5.028 49.032 -0.155 1.00 29.34 C ATOM 610 O ILE A1038 -3.814 48.923 -0.354 1.00 29.05 O ATOM 611 CB ILE A1038 -6.763 47.347 -0.814 1.00 27.78 C ATOM 612 CG1 ILE A1038 -7.430 46.021 -0.442 1.00 27.96 C ATOM 613 CG2 ILE A1038 -5.958 47.161 -2.094 1.00 26.86 C ATOM 614 CD1 ILE A1038 -8.540 45.606 -1.389 1.00 27.59 C ATOM 615 H ILE A1038 -7.646 48.143 1.516 1.00 0.00 H ATOM 616 N ASP A1039 -5.701 50.172 -0.304 1.00 30.63 N ATOM 617 CA ASP A1039 -5.088 51.391 -0.832 1.00 32.82 C ATOM 618 C ASP A1039 -4.026 51.971 0.093 1.00 33.24 C ATOM 619 O ASP A1039 -3.112 52.640 -0.376 1.00 34.03 O ATOM 620 CB ASP A1039 -6.161 52.446 -1.138 1.00 34.44 C ATOM 621 CG ASP A1039 -7.063 52.047 -2.306 1.00 36.38 C ATOM 622 OD1 ASP A1039 -6.719 51.091 -3.032 1.00 35.69 O ATOM 623 OD2 ASP A1039 -8.116 52.690 -2.503 1.00 35.27 O ATOM 624 H ASP A1039 -6.705 50.196 -0.033 1.00 0.00 H ATOM 625 N LEU A1040 -4.141 51.702 1.396 1.00 33.17 N ATOM 626 CA LEU A1040 -3.130 52.119 2.377 1.00 34.07 C ATOM 627 C LEU A1040 -1.986 51.100 2.509 1.00 34.48 C ATOM 628 O LEU A1040 -1.135 51.244 3.382 1.00 34.90 O ATOM 629 CB LEU A1040 -3.783 52.353 3.750 1.00 33.75 C ATOM 630 CG LEU A1040 -4.658 53.602 3.879 1.00 34.98 C ATOM 631 CD1 LEU A1040 -5.542 53.521 5.116 1.00 35.01 C ATOM 632 CD2 LEU A1040 -3.786 54.853 3.907 1.00 35.95 C ATOM 633 H LEU A1040 -4.976 51.179 1.728 1.00 0.00 H ATOM 634 N HIS A1041 -1.974 50.078 1.650 1.00 33.22 N ATOM 635 CA HIS A1041 -0.942 49.025 1.642 1.00 32.54 C ATOM 636 C HIS A1041 -0.927 48.207 2.919 1.00 33.14 C ATOM 637 O HIS A1041 0.128 47.745 3.356 1.00 32.94 O ATOM 638 CB HIS A1041 0.460 49.600 1.371 1.00 33.73 C ATOM 639 CG HIS A1041 0.595 50.325 0.050 1.00 34.55 C ATOM 640 ND1 HIS A1041 1.792 50.632 -0.477 1.00 36.54 N ATOM 641 CD2 HIS A1041 -0.360 50.790 -0.854 1.00 35.41 C ATOM 642 CE1 HIS A1041 1.617 51.271 -1.647 1.00 36.28 C ATOM 643 NE2 HIS A1041 0.300 51.366 -1.877 1.00 36.27 N ATOM 644 H HIS A1041 -2.737 50.021 0.946 1.00 0.00 H ATOM 645 N LYS A1042 -2.095 48.003 3.518 1.00 33.28 N ATOM 646 CA LYS A1042 -2.199 47.267 4.780 1.00 34.63 C ATOM 647 C LYS A1042 -2.126 45.754 4.590 1.00 33.35 C ATOM 648 O LYS A1042 -1.843 45.032 5.542 1.00 33.32 O ATOM 649 CB LYS A1042 -3.503 47.612 5.503 1.00 36.20 C ATOM 650 CG LYS A1042 -3.630 49.064 5.937 1.00 40.32 C ATOM 651 CD LYS A1042 -2.603 49.422 6.993 1.00 43.46 C ATOM 652 CE LYS A1042 -2.967 50.709 7.715 1.00 48.00 C ATOM 653 NZ LYS A1042 -1.842 51.158 8.581 1.00 51.92 N ATOM 654 HZ1 LYS A1042 -1.634 50.422 9.286 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -1.000 51.326 7.994 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -2.109 52.038 9.066 1.00 0.00 H ATOM 657 H LYS A1042 -2.960 48.377 3.078 1.00 0.00 H ATOM 658 N TYR A1043 -2.414 45.275 3.380 1.00 31.01 N ATOM 659 CA TYR A1043 -2.365 43.846 3.085 1.00 30.84 C ATOM 660 C TYR A1043 -1.145 43.546 2.235 1.00 33.50 C ATOM 661 O TYR A1043 -1.027 44.051 1.117 1.00 35.35 O ATOM 662 CB TYR A1043 -3.624 43.384 2.340 1.00 30.08 C ATOM 663 CG TYR A1043 -4.918 43.727 3.034 1.00 28.68 C ATOM 664 CD1 TYR A1043 -5.202 43.245 4.309 1.00 30.39 C ATOM 665 CD2 TYR A1043 -5.867 44.528 2.413 1.00 28.72 C ATOM 666 CE1 TYR A1043 -6.391 43.569 4.948 1.00 30.15 C ATOM 667 CE2 TYR A1043 -7.059 44.848 3.036 1.00 28.90 C ATOM 668 CZ TYR A1043 -7.322 44.369 4.298 1.00 30.16 C ATOM 669 OH TYR A1043 -8.518 44.704 4.898 1.00 28.91 O ATOM 670 HH TYR A1043 -8.563 44.289 5.796 1.00 0.00 H ATOM 671 H TYR A1043 -2.681 45.938 2.625 1.00 0.00 H ATOM 672 N LEU A1044 -0.236 42.741 2.779 1.00 32.77 N ATOM 673 CA LEU A1044 0.909 42.243 2.028 1.00 33.53 C ATOM 674 C LEU A1044 0.693 40.808 1.561 1.00 31.54 C ATOM 675 O LEU A1044 1.497 40.286 0.801 1.00 29.97 O ATOM 676 CB LEU A1044 2.189 42.319 2.869 1.00 35.97 C ATOM 677 CG LEU A1044 2.658 43.700 3.335 1.00 38.10 C ATOM 678 CD1 LEU A1044 4.104 43.617 3.810 1.00 38.79 C ATOM 679 CD2 LEU A1044 2.520 44.733 2.230 1.00 39.17 C ATOM 680 H LEU A1044 -0.346 42.458 3.774 1.00 0.00 H ATOM 681 N THR A1045 -0.383 40.171 2.017 1.00 30.54 N ATOM 682 CA THR A1045 -0.724 38.825 1.571 1.00 30.96 C ATOM 683 C THR A1045 -2.240 38.663 1.483 1.00 30.48 C ATOM 684 O THR A1045 -2.991 39.413 2.111 1.00 30.79 O ATOM 685 CB THR A1045 -0.180 37.753 2.534 1.00 31.01 C ATOM 686 OG1 THR A1045 -0.939 37.772 3.747 1.00 31.99 O ATOM 687 CG2 THR A1045 1.294 37.978 2.849 1.00 30.64 C ATOM 688 HG1 THR A1045 -0.588 37.083 4.365 1.00 0.00 H ATOM 689 H THR A1045 -0.997 40.646 2.710 1.00 0.00 H ATOM 690 N VAL A1046 -2.685 37.679 0.710 1.00 29.96 N ATOM 691 CA VAL A1046 -4.113 37.360 0.625 1.00 30.46 C ATOM 692 C VAL A1046 -4.593 36.750 1.947 1.00 31.87 C ATOM 693 O VAL A1046 -5.751 36.912 2.333 1.00 30.83 O ATOM 694 CB VAL A1046 -4.435 36.426 -0.565 1.00 29.83 C ATOM 695 CG1 VAL A1046 -5.925 36.103 -0.615 1.00 29.58 C ATOM 696 CG2 VAL A1046 -3.996 37.067 -1.878 1.00 28.62 C ATOM 697 H VAL A1046 -2.005 37.123 0.153 1.00 0.00 H ATOM 698 N LYS A1047 -3.696 36.066 2.648 1.00 34.11 N ATOM 699 CA LYS A1047 -4.006 35.533 3.975 1.00 36.61 C ATOM 700 C LYS A1047 -4.448 36.646 4.941 1.00 35.15 C ATOM 701 O LYS A1047 -5.411 36.479 5.684 1.00 36.72 O ATOM 702 CB LYS A1047 -2.800 34.776 4.540 1.00 40.35 C ATOM 703 CG LYS A1047 -3.119 33.851 5.703 1.00 45.50 C ATOM 704 CD LYS A1047 -1.864 33.172 6.242 1.00 50.03 C ATOM 705 CE LYS A1047 -1.398 32.025 5.353 1.00 53.34 C ATOM 706 NZ LYS A1047 -2.193 30.781 5.562 1.00 58.81 N ATOM 707 HZ1 LYS A1047 -2.103 30.476 6.552 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -3.193 30.969 5.345 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -1.836 30.033 4.934 1.00 0.00 H ATOM 710 H LYS A1047 -2.751 35.905 2.244 1.00 0.00 H ATOM 711 N ASP A1048 -3.755 37.780 4.919 1.00 34.49 N ATOM 712 CA ASP A1048 -4.110 38.903 5.788 1.00 35.39 C ATOM 713 C ASP A1048 -5.428 39.564 5.367 1.00 33.62 C ATOM 714 O ASP A1048 -6.203 40.001 6.214 1.00 31.55 O ATOM 715 CB ASP A1048 -2.975 39.932 5.830 1.00 37.47 C ATOM 716 CG ASP A1048 -1.751 39.428 6.595 1.00 40.26 C ATOM 717 OD1 ASP A1048 -1.850 38.407 7.309 1.00 44.20 O ATOM 718 OD2 ASP A1048 -0.689 40.056 6.492 1.00 39.72 O ATOM 719 H ASP A1048 -2.946 37.871 4.272 1.00 0.00 H ATOM 720 N TYR A1049 -5.666 39.631 4.057 1.00 31.70 N ATOM 721 CA TYR A1049 -6.944 40.095 3.507 1.00 29.75 C ATOM 722 C TYR A1049 -8.096 39.228 3.997 1.00 30.56 C ATOM 723 O TYR A1049 -9.140 39.740 4.417 1.00 29.21 O ATOM 724 CB TYR A1049 -6.878 40.067 1.971 1.00 28.86 C ATOM 725 CG TYR A1049 -8.184 40.290 1.249 1.00 27.53 C ATOM 726 CD1 TYR A1049 -8.645 41.577 0.991 1.00 27.46 C ATOM 727 CD2 TYR A1049 -8.943 39.216 0.791 1.00 27.46 C ATOM 728 CE1 TYR A1049 -9.830 41.789 0.307 1.00 27.21 C ATOM 729 CE2 TYR A1049 -10.136 39.419 0.110 1.00 27.57 C ATOM 730 CZ TYR A1049 -10.574 40.707 -0.131 1.00 26.69 C ATOM 731 OH TYR A1049 -11.750 40.920 -0.813 1.00 26.36 O ATOM 732 HH TYR A1049 -11.910 41.893 -0.896 1.00 0.00 H ATOM 733 H TYR A1049 -4.915 39.342 3.398 1.00 0.00 H ATOM 734 N LEU A1050 -7.904 37.913 3.939 1.00 30.83 N ATOM 735 CA LEU A1050 -8.946 36.972 4.350 1.00 31.83 C ATOM 736 C LEU A1050 -9.274 37.045 5.850 1.00 33.75 C ATOM 737 O LEU A1050 -10.383 36.698 6.245 1.00 33.78 O ATOM 738 CB LEU A1050 -8.591 35.538 3.933 1.00 31.84 C ATOM 739 CG LEU A1050 -8.769 35.256 2.434 1.00 32.31 C ATOM 740 CD1 LEU A1050 -8.215 33.890 2.068 1.00 34.58 C ATOM 741 CD2 LEU A1050 -10.233 35.364 2.015 1.00 31.98 C ATOM 742 H LEU A1050 -6.994 37.546 3.594 1.00 0.00 H ATOM 743 N ARG A1051 -8.333 37.510 6.672 1.00 35.64 N ATOM 744 CA ARG A1051 -8.614 37.744 8.091 1.00 37.97 C ATOM 745 C ARG A1051 -9.650 38.839 8.284 1.00 34.25 C ATOM 746 O ARG A1051 -10.491 38.734 9.164 1.00 32.44 O ATOM 747 CB ARG A1051 -7.348 38.097 8.875 1.00 42.55 C ATOM 748 CG ARG A1051 -6.377 36.942 9.022 1.00 49.14 C ATOM 749 CD ARG A1051 -5.601 37.021 10.326 1.00 57.03 C ATOM 750 NE ARG A1051 -4.388 36.209 10.263 1.00 62.82 N ATOM 751 CZ ARG A1051 -3.217 36.625 9.785 1.00 67.09 C ATOM 752 NH1 ARG A1051 -3.070 37.864 9.322 1.00 68.81 N ATOM 753 NH2 ARG A1051 -2.178 35.796 9.774 1.00 68.69 N ATOM 754 HE ARG A1051 -4.443 35.233 10.618 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.149 38.175 8.952 1.00 0.00 H ATOM 756 HH11 ARG A1051 -3.876 38.521 9.331 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.261 36.116 9.402 1.00 0.00 H ATOM 758 HH21 ARG A1051 -2.282 34.827 10.138 1.00 0.00 H ATOM 759 H ARG A1051 -7.383 37.710 6.300 1.00 0.00 H ATOM 760 N ASP A1052 -9.591 39.883 7.460 1.00 33.22 N ATOM 761 CA ASP A1052 -10.609 40.934 7.497 1.00 31.86 C ATOM 762 C ASP A1052 -11.952 40.488 6.900 1.00 31.81 C ATOM 763 O ASP A1052 -13.005 40.913 7.383 1.00 31.23 O ATOM 764 CB ASP A1052 -10.105 42.222 6.837 1.00 32.06 C ATOM 765 CG ASP A1052 -9.245 43.059 7.776 1.00 33.39 C ATOM 766 OD1 ASP A1052 -9.215 42.756 8.988 1.00 34.26 O ATOM 767 OD2 ASP A1052 -8.607 44.022 7.309 1.00 33.62 O ATOM 768 H ASP A1052 -8.808 39.953 6.779 1.00 0.00 H ATOM 769 N ILE A1053 -11.928 39.628 5.881 1.00 30.27 N ATOM 770 CA ILE A1053 -13.176 39.042 5.362 1.00 29.51 C ATOM 771 C ILE A1053 -13.815 38.164 6.445 1.00 29.64 C ATOM 772 O ILE A1053 -15.019 38.258 6.709 1.00 29.30 O ATOM 773 CB ILE A1053 -12.956 38.202 4.082 1.00 29.34 C ATOM 774 CG1 ILE A1053 -12.437 39.072 2.925 1.00 29.32 C ATOM 775 CG2 ILE A1053 -14.245 37.488 3.682 1.00 28.91 C ATOM 776 CD1 ILE A1053 -13.316 40.252 2.551 1.00 29.81 C ATOM 777 H ILE A1053 -11.019 39.368 5.448 1.00 0.00 H ATOM 778 N ASP A1054 -13.004 37.317 7.076 1.00 30.54 N ATOM 779 CA ASP A1054 -13.468 36.496 8.197 1.00 32.79 C ATOM 780 C ASP A1054 -13.996 37.338 9.363 1.00 33.03 C ATOM 781 O ASP A1054 -14.955 36.945 10.034 1.00 33.95 O ATOM 782 CB ASP A1054 -12.353 35.565 8.677 1.00 36.46 C ATOM 783 CG ASP A1054 -12.101 34.414 7.718 1.00 38.85 C ATOM 784 OD1 ASP A1054 -13.038 33.993 7.016 1.00 41.79 O ATOM 785 OD2 ASP A1054 -10.973 33.906 7.679 1.00 40.07 O ATOM 786 H ASP A1054 -12.015 37.236 6.765 1.00 0.00 H ATOM 787 N LEU A1055 -13.376 38.494 9.593 1.00 31.99 N ATOM 788 CA LEU A1055 -13.821 39.422 10.626 1.00 33.64 C ATOM 789 C LEU A1055 -15.215 39.995 10.314 1.00 33.17 C ATOM 790 O LEU A1055 -16.069 40.076 11.195 1.00 32.15 O ATOM 791 CB LEU A1055 -12.792 40.542 10.791 1.00 35.76 C ATOM 792 CG LEU A1055 -12.988 41.567 11.902 1.00 38.51 C ATOM 793 CD1 LEU A1055 -13.119 40.908 13.271 1.00 38.82 C ATOM 794 CD2 LEU A1055 -11.813 42.539 11.873 1.00 37.96 C ATOM 795 H LEU A1055 -12.547 38.743 9.017 1.00 0.00 H ATOM 796 N ILE A1056 -15.445 40.379 9.059 1.00 32.31 N ATOM 797 CA ILE A1056 -16.769 40.832 8.623 1.00 31.63 C ATOM 798 C ILE A1056 -17.806 39.757 8.948 1.00 31.52 C ATOM 799 O ILE A1056 -18.868 40.049 9.507 1.00 32.69 O ATOM 800 CB ILE A1056 -16.811 41.136 7.106 1.00 30.96 C ATOM 801 CG1 ILE A1056 -15.970 42.371 6.769 1.00 30.15 C ATOM 802 CG2 ILE A1056 -18.249 41.353 6.642 1.00 30.84 C ATOM 803 CD1 ILE A1056 -15.874 42.669 5.282 1.00 29.13 C ATOM 804 H ILE A1056 -14.665 40.357 8.371 1.00 0.00 H ATOM 805 N CYS A1057 -17.481 38.512 8.616 1.00 30.33 N ATOM 806 CA CYS A1057 -18.388 37.392 8.854 1.00 31.67 C ATOM 807 C CYS A1057 -18.599 37.102 10.348 1.00 32.90 C ATOM 808 O CYS A1057 -19.741 37.011 10.803 1.00 32.65 O ATOM 809 CB CYS A1057 -17.893 36.138 8.134 1.00 31.60 C ATOM 810 SG CYS A1057 -19.003 34.725 8.299 1.00 34.64 S ATOM 811 H CYS A1057 -16.557 38.330 8.175 1.00 0.00 H ATOM 812 N SER A1058 -17.514 36.965 11.108 1.00 33.16 N ATOM 813 CA SER A1058 -17.633 36.643 12.539 1.00 34.54 C ATOM 814 C SER A1058 -18.339 37.751 13.332 1.00 34.73 C ATOM 815 O SER A1058 -19.130 37.460 14.225 1.00 35.76 O ATOM 816 CB SER A1058 -16.265 36.306 13.160 1.00 36.72 C ATOM 817 OG SER A1058 -15.320 37.339 12.945 1.00 38.50 O ATOM 818 HG SER A1058 -14.456 37.086 13.358 1.00 0.00 H ATOM 819 H SER A1058 -16.572 37.087 10.685 1.00 0.00 H ATOM 820 N ASN A1059 -18.061 39.011 13.000 1.00 33.61 N ATOM 821 CA ASN A1059 -18.785 40.142 13.587 1.00 33.66 C ATOM 822 C ASN A1059 -20.299 40.002 13.397 1.00 33.44 C ATOM 823 O ASN A1059 -21.064 40.221 14.332 1.00 31.80 O ATOM 824 CB ASN A1059 -18.327 41.480 12.983 1.00 33.52 C ATOM 825 CG ASN A1059 -16.974 41.939 13.502 1.00 34.88 C ATOM 826 OD1 ASN A1059 -16.437 41.386 14.459 1.00 34.82 O ATOM 827 ND2 ASN A1059 -16.420 42.962 12.865 1.00 34.41 N ATOM 828 HD22 ASN A1059 -16.910 43.400 12.059 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.495 43.326 13.171 1.00 0.00 H ATOM 830 H ASN A1059 -17.310 39.197 12.305 1.00 0.00 H ATOM 831 N ALA A1060 -20.717 39.643 12.183 1.00 32.57 N ATOM 832 CA ALA A1060 -22.138 39.468 11.871 1.00 33.39 C ATOM 833 C ALA A1060 -22.757 38.310 12.652 1.00 33.27 C ATOM 834 O ALA A1060 -23.880 38.427 13.141 1.00 34.19 O ATOM 835 CB ALA A1060 -22.346 39.263 10.369 1.00 32.43 C ATOM 836 H ALA A1060 -20.013 39.482 11.435 1.00 0.00 H ATOM 837 N LEU A1061 -22.033 37.199 12.763 1.00 34.14 N ATOM 838 CA LEU A1061 -22.526 36.038 13.502 1.00 37.93 C ATOM 839 C LEU A1061 -22.613 36.346 14.995 1.00 39.89 C ATOM 840 O LEU A1061 -23.529 35.881 15.676 1.00 39.92 O ATOM 841 CB LEU A1061 -21.639 34.806 13.266 1.00 39.65 C ATOM 842 CG LEU A1061 -21.451 34.305 11.826 1.00 40.49 C ATOM 843 CD1 LEU A1061 -20.820 32.920 11.815 1.00 42.24 C ATOM 844 CD2 LEU A1061 -22.758 34.292 11.057 1.00 38.75 C ATOM 845 H LEU A1061 -21.096 37.156 12.314 1.00 0.00 H ATOM 846 N GLU A1062 -21.666 37.141 15.490 1.00 41.53 N ATOM 847 CA GLU A1062 -21.629 37.532 16.897 1.00 43.76 C ATOM 848 C GLU A1062 -22.734 38.530 17.230 1.00 42.13 C ATOM 849 O GLU A1062 -23.443 38.364 18.218 1.00 42.85 O ATOM 850 CB GLU A1062 -20.261 38.135 17.250 1.00 46.10 C ATOM 851 CG GLU A1062 -20.127 38.619 18.692 1.00 50.24 C ATOM 852 CD GLU A1062 -18.797 39.305 18.979 1.00 54.35 C ATOM 853 OE1 GLU A1062 -17.873 39.228 18.137 1.00 54.67 O ATOM 854 OE2 GLU A1062 -18.679 39.928 20.057 1.00 59.01 O ATOM 855 H GLU A1062 -20.926 37.496 14.852 1.00 0.00 H ATOM 856 N TYR A1063 -22.870 39.571 16.414 1.00 41.29 N ATOM 857 CA TYR A1063 -23.841 40.626 16.697 1.00 42.20 C ATOM 858 C TYR A1063 -25.296 40.218 16.417 1.00 41.20 C ATOM 859 O TYR A1063 -26.216 40.790 16.999 1.00 41.48 O ATOM 860 CB TYR A1063 -23.501 41.907 15.928 1.00 44.50 C ATOM 861 CG TYR A1063 -24.344 43.079 16.373 1.00 47.11 C ATOM 862 CD1 TYR A1063 -24.069 43.742 17.566 1.00 49.00 C ATOM 863 CD2 TYR A1063 -25.442 43.497 15.627 1.00 49.31 C ATOM 864 CE1 TYR A1063 -24.849 44.806 17.990 1.00 51.04 C ATOM 865 CE2 TYR A1063 -26.229 44.558 16.044 1.00 51.77 C ATOM 866 CZ TYR A1063 -25.928 45.207 17.226 1.00 52.57 C ATOM 867 OH TYR A1063 -26.705 46.259 17.646 1.00 58.75 O ATOM 868 HH TYR A1063 -26.353 46.606 18.504 1.00 0.00 H ATOM 869 H TYR A1063 -22.277 39.635 15.562 1.00 0.00 H ATOM 870 N ASN A1064 -25.500 39.233 15.542 1.00 39.30 N ATOM 871 CA ASN A1064 -26.848 38.796 15.151 1.00 39.44 C ATOM 872 C ASN A1064 -27.021 37.294 15.378 1.00 38.85 C ATOM 873 O ASN A1064 -27.150 36.536 14.418 1.00 37.84 O ATOM 874 CB ASN A1064 -27.104 39.134 13.674 1.00 38.16 C ATOM 875 CG ASN A1064 -26.684 40.548 13.313 1.00 38.67 C ATOM 876 OD1 ASN A1064 -27.444 41.497 13.479 1.00 38.90 O ATOM 877 ND2 ASN A1064 -25.463 40.690 12.807 1.00 38.99 N ATOM 878 HD22 ASN A1064 -24.851 39.858 12.683 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.119 41.633 12.535 1.00 0.00 H ATOM 880 H ASN A1064 -24.677 38.757 15.121 1.00 0.00 H ATOM 881 N PRO A1065 -27.028 36.856 16.651 1.00 40.07 N ATOM 882 CA PRO A1065 -27.002 35.431 16.964 1.00 41.89 C ATOM 883 C PRO A1065 -28.377 34.775 17.130 1.00 43.04 C ATOM 884 O PRO A1065 -28.441 33.566 17.346 1.00 43.20 O ATOM 885 CB PRO A1065 -26.282 35.416 18.309 1.00 43.13 C ATOM 886 CG PRO A1065 -26.798 36.648 18.981 1.00 44.10 C ATOM 887 CD PRO A1065 -27.042 37.663 17.886 1.00 42.26 C ATOM 888 N ASP A1066 -29.456 35.555 17.037 1.00 44.45 N ATOM 889 CA ASP A1066 -30.797 35.068 17.386 1.00 46.50 C ATOM 890 C ASP A1066 -31.413 34.159 16.330 1.00 45.73 C ATOM 891 O ASP A1066 -30.926 34.067 15.200 1.00 44.27 O ATOM 892 CB ASP A1066 -31.748 36.242 17.657 1.00 48.33 C ATOM 893 CG ASP A1066 -31.348 37.062 18.880 1.00 53.69 C ATOM 894 OD1 ASP A1066 -30.375 36.697 19.577 1.00 51.99 O ATOM 895 OD2 ASP A1066 -32.023 38.079 19.149 1.00 59.95 O ATOM 896 H ASP A1066 -29.344 36.535 16.708 1.00 0.00 H ATOM 897 N ARG A1067 -32.500 33.495 16.718 1.00 45.68 N ATOM 898 CA ARG A1067 -33.217 32.572 15.839 1.00 45.73 C ATOM 899 C ARG A1067 -34.188 33.271 14.887 1.00 44.03 C ATOM 900 O ARG A1067 -34.719 32.634 13.979 1.00 42.53 O ATOM 901 CB ARG A1067 -34.006 31.558 16.668 1.00 48.04 C ATOM 902 CG ARG A1067 -35.147 32.179 17.470 1.00 49.72 C ATOM 903 CD ARG A1067 -36.433 31.380 17.365 1.00 51.55 C ATOM 904 NE ARG A1067 -36.899 31.176 15.992 1.00 51.85 N ATOM 905 CZ ARG A1067 -37.699 32.004 15.309 1.00 52.70 C ATOM 906 NH1 ARG A1067 -38.142 33.149 15.834 1.00 51.56 N ATOM 907 NH2 ARG A1067 -38.055 31.685 14.071 1.00 49.85 N ATOM 908 HE ARG A1067 -36.581 30.314 15.505 1.00 0.00 H ATOM 909 HH12 ARG A1067 -38.763 33.771 15.277 1.00 0.00 H ATOM 910 HH11 ARG A1067 -37.867 33.419 16.800 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.676 32.319 13.529 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.713 30.801 13.643 1.00 0.00 H ATOM 913 H ARG A1067 -32.853 33.639 17.685 1.00 0.00 H ATOM 914 N ASP A1068 -34.457 34.556 15.111 1.00 44.36 N ATOM 915 CA ASP A1068 -35.445 35.265 14.294 1.00 45.28 C ATOM 916 C ASP A1068 -34.950 35.418 12.850 1.00 42.15 C ATOM 917 O ASP A1068 -33.741 35.363 12.602 1.00 40.45 O ATOM 918 CB ASP A1068 -35.811 36.625 14.899 1.00 49.10 C ATOM 919 CG ASP A1068 -34.616 37.533 15.070 1.00 52.98 C ATOM 920 OD1 ASP A1068 -34.100 38.049 14.057 1.00 58.46 O ATOM 921 OD2 ASP A1068 -34.200 37.740 16.226 1.00 60.43 O ATOM 922 H ASP A1068 -33.961 35.061 15.873 1.00 0.00 H ATOM 923 N PRO A1069 -35.885 35.592 11.896 1.00 40.59 N ATOM 924 CA PRO A1069 -35.527 35.650 10.477 1.00 38.71 C ATOM 925 C PRO A1069 -34.530 36.750 10.113 1.00 35.41 C ATOM 926 O PRO A1069 -33.679 36.533 9.261 1.00 33.62 O ATOM 927 CB PRO A1069 -36.872 35.889 9.788 1.00 39.33 C ATOM 928 CG PRO A1069 -37.872 35.307 10.720 1.00 41.47 C ATOM 929 CD PRO A1069 -37.349 35.624 12.084 1.00 41.90 C ATOM 930 N GLY A1070 -34.633 37.913 10.749 1.00 35.46 N ATOM 931 CA GLY A1070 -33.695 39.008 10.499 1.00 36.41 C ATOM 932 C GLY A1070 -32.257 38.594 10.757 1.00 35.87 C ATOM 933 O GLY A1070 -31.382 38.810 9.921 1.00 35.98 O ATOM 934 H GLY A1070 -35.398 38.048 11.440 1.00 0.00 H ATOM 935 N ASP A1071 -32.022 37.978 11.913 1.00 36.45 N ATOM 936 CA ASP A1071 -30.687 37.524 12.292 1.00 37.04 C ATOM 937 C ASP A1071 -30.211 36.357 11.435 1.00 36.27 C ATOM 938 O ASP A1071 -29.046 36.319 11.034 1.00 36.37 O ATOM 939 CB ASP A1071 -30.641 37.126 13.771 1.00 39.31 C ATOM 940 CG ASP A1071 -30.568 38.327 14.698 1.00 40.80 C ATOM 941 OD1 ASP A1071 -31.017 39.426 14.308 1.00 43.69 O ATOM 942 OD2 ASP A1071 -30.049 38.166 15.819 1.00 39.88 O ATOM 943 H ASP A1071 -32.814 37.815 12.567 1.00 0.00 H ATOM 944 N ARG A1072 -31.101 35.408 11.158 1.00 35.29 N ATOM 945 CA ARG A1072 -30.734 34.258 10.332 1.00 36.83 C ATOM 946 C ARG A1072 -30.386 34.659 8.894 1.00 33.85 C ATOM 947 O ARG A1072 -29.493 34.070 8.298 1.00 32.23 O ATOM 948 CB ARG A1072 -31.827 33.188 10.352 1.00 40.03 C ATOM 949 CG ARG A1072 -31.794 32.344 11.616 1.00 44.02 C ATOM 950 CD ARG A1072 -32.882 31.289 11.641 1.00 47.74 C ATOM 951 NE ARG A1072 -32.752 30.416 12.812 1.00 51.72 N ATOM 952 CZ ARG A1072 -33.710 29.619 13.289 1.00 54.88 C ATOM 953 NH1 ARG A1072 -34.909 29.564 12.714 1.00 57.00 N ATOM 954 NH2 ARG A1072 -33.469 28.872 14.361 1.00 55.97 N ATOM 955 HE ARG A1072 -31.840 30.418 13.311 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.643 28.937 13.101 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.112 30.149 11.878 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.211 28.249 14.738 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.538 28.911 14.823 1.00 0.00 H ATOM 960 H ARG A1072 -32.068 35.485 11.533 1.00 0.00 H ATOM 961 N LEU A1073 -31.090 35.653 8.351 1.00 32.86 N ATOM 962 CA LEU A1073 -30.805 36.162 7.006 1.00 32.45 C ATOM 963 C LEU A1073 -29.408 36.781 6.945 1.00 33.09 C ATOM 964 O LEU A1073 -28.616 36.442 6.064 1.00 32.15 O ATOM 965 CB LEU A1073 -31.859 37.190 6.572 1.00 31.94 C ATOM 966 CG LEU A1073 -31.670 37.842 5.193 1.00 30.82 C ATOM 967 CD1 LEU A1073 -31.591 36.793 4.092 1.00 29.83 C ATOM 968 CD2 LEU A1073 -32.789 38.841 4.921 1.00 32.50 C ATOM 969 H LEU A1073 -31.865 36.080 8.898 1.00 0.00 H ATOM 970 N ILE A1074 -29.100 37.667 7.890 1.00 34.08 N ATOM 971 CA ILE A1074 -27.784 38.316 7.908 1.00 34.79 C ATOM 972 C ILE A1074 -26.658 37.302 8.142 1.00 33.65 C ATOM 973 O ILE A1074 -25.613 37.405 7.512 1.00 33.29 O ATOM 974 CB ILE A1074 -27.697 39.493 8.914 1.00 36.37 C ATOM 975 CG1 ILE A1074 -26.412 40.297 8.679 1.00 38.14 C ATOM 976 CG2 ILE A1074 -27.739 39.000 10.350 1.00 38.21 C ATOM 977 CD1 ILE A1074 -26.366 41.618 9.419 1.00 39.98 C ATOM 978 H ILE A1074 -29.799 37.902 8.623 1.00 0.00 H ATOM 979 N ARG A1075 -26.873 36.316 9.015 1.00 33.61 N ATOM 980 CA ARG A1075 -25.874 35.252 9.212 1.00 33.76 C ATOM 981 C ARG A1075 -25.662 34.432 7.935 1.00 33.12 C ATOM 982 O ARG A1075 -24.530 34.071 7.604 1.00 31.42 O ATOM 983 CB ARG A1075 -26.253 34.320 10.375 1.00 34.69 C ATOM 984 CG ARG A1075 -26.128 34.957 11.753 1.00 35.90 C ATOM 985 CD ARG A1075 -25.901 33.921 12.844 1.00 38.24 C ATOM 986 NE ARG A1075 -26.943 32.892 12.915 1.00 39.46 N ATOM 987 CZ ARG A1075 -28.154 33.058 13.449 1.00 41.28 C ATOM 988 NH1 ARG A1075 -28.526 34.229 13.955 1.00 41.12 N ATOM 989 NH2 ARG A1075 -29.010 32.042 13.473 1.00 42.92 N ATOM 990 HE ARG A1075 -26.720 31.957 12.517 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.474 34.340 14.367 1.00 0.00 H ATOM 992 HH11 ARG A1075 -27.869 35.035 13.939 1.00 0.00 H ATOM 993 HH22 ARG A1075 -29.955 32.168 13.889 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.735 31.121 13.076 1.00 0.00 H ATOM 995 H ARG A1075 -27.757 36.299 9.563 1.00 0.00 H ATOM 996 N HIS A1076 -26.751 34.129 7.230 1.00 33.09 N ATOM 997 CA HIS A1076 -26.657 33.382 5.978 1.00 32.07 C ATOM 998 C HIS A1076 -25.889 34.154 4.940 1.00 30.84 C ATOM 999 O HIS A1076 -25.055 33.585 4.233 1.00 29.53 O ATOM 1000 CB HIS A1076 -28.040 33.009 5.452 1.00 33.58 C ATOM 1001 CG HIS A1076 -28.004 32.076 4.267 1.00 34.16 C ATOM 1002 ND1 HIS A1076 -28.036 32.519 2.995 1.00 35.34 N ATOM 1003 CD2 HIS A1076 -27.932 30.684 4.197 1.00 35.56 C ATOM 1004 CE1 HIS A1076 -27.987 31.466 2.152 1.00 36.13 C ATOM 1005 NE2 HIS A1076 -27.922 30.346 2.888 1.00 35.34 N ATOM 1006 H HIS A1076 -27.684 34.429 7.577 1.00 0.00 H ATOM 1007 N ARG A1077 -26.151 35.457 4.855 1.00 30.28 N ATOM 1008 CA ARG A1077 -25.419 36.348 3.952 1.00 30.44 C ATOM 1009 C ARG A1077 -23.947 36.511 4.341 1.00 30.13 C ATOM 1010 O ARG A1077 -23.078 36.580 3.469 1.00 29.30 O ATOM 1011 CB ARG A1077 -26.094 37.719 3.905 1.00 31.02 C ATOM 1012 CG ARG A1077 -27.421 37.705 3.164 1.00 31.06 C ATOM 1013 CD ARG A1077 -28.244 38.944 3.454 1.00 31.71 C ATOM 1014 NE ARG A1077 -29.342 39.087 2.497 1.00 32.42 N ATOM 1015 CZ ARG A1077 -30.236 40.074 2.507 1.00 32.51 C ATOM 1016 NH1 ARG A1077 -30.178 41.026 3.428 1.00 33.15 N ATOM 1017 NH2 ARG A1077 -31.197 40.106 1.589 1.00 33.05 N ATOM 1018 HE ARG A1077 -29.431 38.364 1.754 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.880 41.793 3.428 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.430 41.006 4.150 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -31.896 40.876 1.595 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.250 39.361 0.865 1.00 0.00 H ATOM 1023 H ARG A1077 -26.903 35.857 5.452 1.00 0.00 H ATOM 1024 N ALA A1078 -23.679 36.582 5.644 1.00 29.57 N ATOM 1025 CA ALA A1078 -22.314 36.689 6.154 1.00 30.04 C ATOM 1026 C ALA A1078 -21.483 35.476 5.742 1.00 29.93 C ATOM 1027 O ALA A1078 -20.343 35.614 5.285 1.00 29.75 O ATOM 1028 CB ALA A1078 -22.327 36.836 7.672 1.00 30.97 C ATOM 1029 H ALA A1078 -24.468 36.561 6.321 1.00 0.00 H ATOM 1030 N CYS A1079 -22.071 34.294 5.902 1.00 30.75 N ATOM 1031 CA CYS A1079 -21.427 33.043 5.532 1.00 31.53 C ATOM 1032 C CYS A1079 -21.234 32.939 4.018 1.00 30.88 C ATOM 1033 O CYS A1079 -20.218 32.415 3.565 1.00 29.70 O ATOM 1034 CB CYS A1079 -22.234 31.847 6.057 1.00 34.42 C ATOM 1035 SG CYS A1079 -22.133 31.624 7.853 1.00 38.59 S ATOM 1036 H CYS A1079 -23.028 34.263 6.307 1.00 0.00 H ATOM 1037 N ALA A1080 -22.200 33.446 3.250 1.00 29.39 N ATOM 1038 CA ALA A1080 -22.098 33.488 1.784 1.00 30.21 C ATOM 1039 C ALA A1080 -20.988 34.433 1.310 1.00 30.56 C ATOM 1040 O ALA A1080 -20.271 34.119 0.355 1.00 30.35 O ATOM 1041 CB ALA A1080 -23.436 33.883 1.167 1.00 30.27 C ATOM 1042 H ALA A1080 -23.055 33.825 3.704 1.00 0.00 H ATOM 1043 N LEU A1081 -20.844 35.581 1.974 1.00 30.26 N ATOM 1044 CA LEU A1081 -19.740 36.515 1.685 1.00 30.28 C ATOM 1045 C LEU A1081 -18.388 35.837 1.873 1.00 30.30 C ATOM 1046 O LEU A1081 -17.511 35.916 1.004 1.00 28.13 O ATOM 1047 CB LEU A1081 -19.813 37.755 2.585 1.00 31.99 C ATOM 1048 CG LEU A1081 -18.686 38.792 2.415 1.00 34.76 C ATOM 1049 CD1 LEU A1081 -18.850 39.545 1.109 1.00 35.01 C ATOM 1050 CD2 LEU A1081 -18.649 39.766 3.581 1.00 37.16 C ATOM 1051 H LEU A1081 -21.530 35.824 2.717 1.00 0.00 H ATOM 1052 N ARG A1082 -18.233 35.196 3.030 1.00 31.01 N ATOM 1053 CA ARG A1082 -17.017 34.460 3.379 1.00 31.05 C ATOM 1054 C ARG A1082 -16.743 33.359 2.360 1.00 30.72 C ATOM 1055 O ARG A1082 -15.663 33.293 1.774 1.00 29.67 O ATOM 1056 CB ARG A1082 -17.167 33.848 4.778 1.00 32.02 C ATOM 1057 CG ARG A1082 -16.023 32.948 5.234 1.00 32.96 C ATOM 1058 CD ARG A1082 -16.485 32.039 6.363 1.00 34.14 C ATOM 1059 NE ARG A1082 -17.522 31.106 5.923 1.00 33.82 N ATOM 1060 CZ ARG A1082 -18.378 30.504 6.740 1.00 34.83 C ATOM 1061 NH1 ARG A1082 -18.337 30.746 8.043 1.00 36.10 N ATOM 1062 NH2 ARG A1082 -19.282 29.668 6.254 1.00 35.47 N ATOM 1063 HE ARG A1082 -17.593 30.901 4.906 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -19.009 30.273 8.681 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -17.633 31.409 8.427 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -19.952 29.197 6.895 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -19.322 29.482 5.231 1.00 0.00 H ATOM 1068 H ARG A1082 -19.013 35.220 3.718 1.00 0.00 H ATOM 1069 N ASP A1083 -17.730 32.491 2.157 1.00 31.01 N ATOM 1070 CA ASP A1083 -17.592 31.377 1.216 1.00 31.45 C ATOM 1071 C ASP A1083 -17.293 31.849 -0.209 1.00 30.00 C ATOM 1072 O ASP A1083 -16.476 31.246 -0.900 1.00 29.03 O ATOM 1073 CB ASP A1083 -18.851 30.509 1.196 1.00 33.38 C ATOM 1074 CG ASP A1083 -19.102 29.793 2.515 1.00 35.75 C ATOM 1075 OD1 ASP A1083 -18.200 29.751 3.380 1.00 37.46 O ATOM 1076 OD2 ASP A1083 -20.221 29.276 2.677 1.00 36.36 O ATOM 1077 H ASP A1083 -18.622 32.606 2.679 1.00 0.00 H ATOM 1078 N THR A1084 -17.951 32.922 -0.641 1.00 28.18 N ATOM 1079 CA THR A1084 -17.727 33.461 -1.984 1.00 28.34 C ATOM 1080 C THR A1084 -16.314 34.021 -2.135 1.00 27.54 C ATOM 1081 O THR A1084 -15.663 33.779 -3.145 1.00 28.61 O ATOM 1082 CB THR A1084 -18.758 34.547 -2.346 1.00 27.96 C ATOM 1083 OG1 THR A1084 -20.072 33.984 -2.282 1.00 28.42 O ATOM 1084 CG2 THR A1084 -18.506 35.089 -3.758 1.00 27.57 C ATOM 1085 HG1 THR A1084 -20.244 33.653 -1.365 1.00 0.00 H ATOM 1086 H THR A1084 -18.637 33.387 -0.013 1.00 0.00 H ATOM 1087 N ALA A1085 -15.845 34.760 -1.131 1.00 26.80 N ATOM 1088 CA ALA A1085 -14.492 35.318 -1.149 1.00 26.70 C ATOM 1089 C ALA A1085 -13.457 34.201 -1.240 1.00 26.59 C ATOM 1090 O ALA A1085 -12.547 34.261 -2.066 1.00 27.46 O ATOM 1091 CB ALA A1085 -14.242 36.171 0.086 1.00 26.09 C ATOM 1092 H ALA A1085 -16.457 34.946 -0.311 1.00 0.00 H ATOM 1093 N TYR A1086 -13.608 33.181 -0.399 1.00 27.35 N ATOM 1094 CA TYR A1086 -12.714 32.026 -0.422 1.00 28.88 C ATOM 1095 C TYR A1086 -12.770 31.264 -1.753 1.00 29.92 C ATOM 1096 O TYR A1086 -11.739 30.812 -2.241 1.00 30.65 O ATOM 1097 CB TYR A1086 -13.010 31.073 0.741 1.00 31.05 C ATOM 1098 CG TYR A1086 -12.306 31.437 2.032 1.00 32.12 C ATOM 1099 CD1 TYR A1086 -12.858 32.359 2.914 1.00 32.97 C ATOM 1100 CD2 TYR A1086 -11.092 30.844 2.381 1.00 34.28 C ATOM 1101 CE1 TYR A1086 -12.227 32.688 4.103 1.00 32.19 C ATOM 1102 CE2 TYR A1086 -10.452 31.163 3.573 1.00 34.41 C ATOM 1103 CZ TYR A1086 -11.027 32.090 4.428 1.00 33.33 C ATOM 1104 OH TYR A1086 -10.404 32.421 5.609 1.00 34.41 O ATOM 1105 HH TYR A1086 -10.949 33.092 6.092 1.00 0.00 H ATOM 1106 H TYR A1086 -14.384 33.207 0.293 1.00 0.00 H ATOM 1107 N ALA A1087 -13.961 31.127 -2.334 1.00 30.03 N ATOM 1108 CA ALA A1087 -14.122 30.400 -3.600 1.00 30.38 C ATOM 1109 C ALA A1087 -13.502 31.158 -4.785 1.00 29.99 C ATOM 1110 O ALA A1087 -12.877 30.554 -5.660 1.00 29.99 O ATOM 1111 CB ALA A1087 -15.595 30.102 -3.862 1.00 31.29 C ATOM 1112 H ALA A1087 -14.798 31.545 -1.880 1.00 0.00 H ATOM 1113 N ILE A1088 -13.669 32.478 -4.813 1.00 29.14 N ATOM 1114 CA ILE A1088 -13.019 33.303 -5.833 1.00 27.77 C ATOM 1115 C ILE A1088 -11.498 33.156 -5.723 1.00 28.03 C ATOM 1116 O ILE A1088 -10.813 32.926 -6.723 1.00 27.38 O ATOM 1117 CB ILE A1088 -13.411 34.794 -5.710 1.00 27.28 C ATOM 1118 CG1 ILE A1088 -14.872 34.996 -6.124 1.00 27.73 C ATOM 1119 CG2 ILE A1088 -12.497 35.663 -6.566 1.00 25.45 C ATOM 1120 CD1 ILE A1088 -15.421 36.373 -5.812 1.00 26.91 C ATOM 1121 H ILE A1088 -14.272 32.932 -4.097 1.00 0.00 H ATOM 1122 N ILE A1089 -10.983 33.264 -4.502 1.00 28.86 N ATOM 1123 CA ILE A1089 -9.546 33.147 -4.256 1.00 29.73 C ATOM 1124 C ILE A1089 -9.031 31.751 -4.636 1.00 31.16 C ATOM 1125 O ILE A1089 -7.983 31.629 -5.274 1.00 32.11 O ATOM 1126 CB ILE A1089 -9.178 33.542 -2.798 1.00 29.39 C ATOM 1127 CG1 ILE A1089 -9.170 35.068 -2.663 1.00 30.12 C ATOM 1128 CG2 ILE A1089 -7.819 32.990 -2.402 1.00 29.97 C ATOM 1129 CD1 ILE A1089 -9.385 35.562 -1.248 1.00 30.32 C ATOM 1130 H ILE A1089 -11.620 33.437 -3.699 1.00 0.00 H ATOM 1131 N LYS A1090 -9.773 30.707 -4.278 1.00 33.57 N ATOM 1132 CA LYS A1090 -9.388 29.342 -4.651 1.00 36.24 C ATOM 1133 C LYS A1090 -9.223 29.181 -6.165 1.00 34.85 C ATOM 1134 O LYS A1090 -8.290 28.520 -6.618 1.00 34.01 O ATOM 1135 CB LYS A1090 -10.406 28.320 -4.132 1.00 39.61 C ATOM 1136 CG LYS A1090 -9.965 26.873 -4.306 1.00 43.72 C ATOM 1137 CD LYS A1090 -11.028 25.893 -3.838 1.00 47.38 C ATOM 1138 CE LYS A1090 -10.489 24.470 -3.813 1.00 52.26 C ATOM 1139 NZ LYS A1090 -11.489 23.513 -3.264 1.00 56.87 N ATOM 1140 HZ1 LYS A1090 -11.733 23.789 -2.291 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.344 23.530 -3.856 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.086 22.554 -3.263 1.00 0.00 H ATOM 1143 H LYS A1090 -10.640 30.861 -3.725 1.00 0.00 H ATOM 1144 N GLU A1091 -10.120 29.787 -6.939 1.00 34.84 N ATOM 1145 CA GLU A1091 -10.078 29.679 -8.399 1.00 37.75 C ATOM 1146 C GLU A1091 -9.085 30.619 -9.076 1.00 35.88 C ATOM 1147 O GLU A1091 -8.586 30.300 -10.154 1.00 38.83 O ATOM 1148 CB GLU A1091 -11.466 29.917 -9.007 1.00 43.24 C ATOM 1149 CG GLU A1091 -12.395 28.721 -8.907 1.00 51.03 C ATOM 1150 CD GLU A1091 -13.683 28.901 -9.692 1.00 58.55 C ATOM 1151 OE1 GLU A1091 -14.319 29.972 -9.564 1.00 61.63 O ATOM 1152 OE2 GLU A1091 -14.063 27.965 -10.433 1.00 61.94 O ATOM 1153 H GLU A1091 -10.871 30.353 -6.495 1.00 0.00 H ATOM 1154 N GLU A1092 -8.806 31.770 -8.467 1.00 32.02 N ATOM 1155 CA GLU A1092 -8.111 32.853 -9.181 1.00 30.94 C ATOM 1156 C GLU A1092 -6.769 33.310 -8.591 1.00 29.77 C ATOM 1157 O GLU A1092 -6.009 33.996 -9.272 1.00 30.49 O ATOM 1158 CB GLU A1092 -9.054 34.046 -9.339 1.00 29.70 C ATOM 1159 CG GLU A1092 -10.387 33.674 -9.985 1.00 29.63 C ATOM 1160 CD GLU A1092 -11.326 34.853 -10.140 1.00 28.96 C ATOM 1161 OE1 GLU A1092 -10.861 36.007 -10.158 1.00 28.95 O ATOM 1162 OE2 GLU A1092 -12.543 34.631 -10.243 1.00 29.09 O ATOM 1163 H GLU A1092 -9.083 31.905 -7.474 1.00 0.00 H ATOM 1164 N LEU A1093 -6.482 32.947 -7.343 1.00 30.01 N ATOM 1165 CA LEU A1093 -5.185 33.234 -6.734 1.00 30.76 C ATOM 1166 C LEU A1093 -4.221 32.091 -7.045 1.00 33.55 C ATOM 1167 O LEU A1093 -4.480 30.941 -6.697 1.00 33.99 O ATOM 1168 CB LEU A1093 -5.311 33.398 -5.216 1.00 30.62 C ATOM 1169 CG LEU A1093 -4.011 33.561 -4.414 1.00 30.93 C ATOM 1170 CD1 LEU A1093 -3.242 34.800 -4.841 1.00 29.38 C ATOM 1171 CD2 LEU A1093 -4.314 33.601 -2.925 1.00 30.46 C ATOM 1172 H LEU A1093 -7.202 32.445 -6.785 1.00 0.00 H ATOM 1173 N ASP A1094 -3.111 32.409 -7.701 1.00 33.57 N ATOM 1174 CA ASP A1094 -2.049 31.433 -7.910 1.00 33.75 C ATOM 1175 C ASP A1094 -1.318 31.217 -6.587 1.00 32.79 C ATOM 1176 O ASP A1094 -0.865 32.174 -5.964 1.00 29.46 O ATOM 1177 CB ASP A1094 -1.085 31.915 -8.989 1.00 35.05 C ATOM 1178 CG ASP A1094 -0.076 30.848 -9.388 1.00 37.86 C ATOM 1179 OD1 ASP A1094 0.720 30.428 -8.528 1.00 37.93 O ATOM 1180 OD2 ASP A1094 -0.075 30.438 -10.563 1.00 38.46 O ATOM 1181 H ASP A1094 -2.997 33.374 -8.073 1.00 0.00 H ATOM 1182 N GLU A1095 -1.218 29.959 -6.162 1.00 34.10 N ATOM 1183 CA GLU A1095 -0.569 29.610 -4.891 1.00 36.55 C ATOM 1184 C GLU A1095 0.876 30.103 -4.804 1.00 32.73 C ATOM 1185 O GLU A1095 1.330 30.480 -3.732 1.00 31.12 O ATOM 1186 CB GLU A1095 -0.593 28.097 -4.664 1.00 42.37 C ATOM 1187 CG GLU A1095 -1.966 27.543 -4.323 1.00 48.89 C ATOM 1188 CD GLU A1095 -1.999 26.022 -4.282 1.00 56.44 C ATOM 1189 OE1 GLU A1095 -0.923 25.391 -4.157 1.00 59.24 O ATOM 1190 OE2 GLU A1095 -3.110 25.454 -4.374 1.00 63.84 O ATOM 1191 H GLU A1095 -1.613 29.197 -6.750 1.00 0.00 H ATOM 1192 N ASP A1096 1.590 30.083 -5.927 1.00 32.02 N ATOM 1193 CA ASP A1096 2.977 30.562 -5.970 1.00 32.12 C ATOM 1194 C ASP A1096 3.079 32.082 -5.860 1.00 30.93 C ATOM 1195 O ASP A1096 4.106 32.609 -5.413 1.00 30.23 O ATOM 1196 CB ASP A1096 3.679 30.100 -7.246 1.00 33.47 C ATOM 1197 CG ASP A1096 3.891 28.596 -7.288 1.00 36.09 C ATOM 1198 OD1 ASP A1096 3.941 27.952 -6.220 1.00 36.86 O ATOM 1199 OD2 ASP A1096 4.012 28.061 -8.401 1.00 39.44 O ATOM 1200 H ASP A1096 1.154 29.718 -6.798 1.00 0.00 H ATOM 1201 N PHE A1097 2.030 32.785 -6.282 1.00 29.66 N ATOM 1202 CA PHE A1097 1.977 34.230 -6.114 1.00 29.88 C ATOM 1203 C PHE A1097 1.802 34.556 -4.631 1.00 29.33 C ATOM 1204 O PHE A1097 2.513 35.403 -4.089 1.00 30.10 O ATOM 1205 CB PHE A1097 0.847 34.860 -6.936 1.00 29.69 C ATOM 1206 CG PHE A1097 0.759 36.345 -6.770 1.00 29.43 C ATOM 1207 CD1 PHE A1097 1.568 37.188 -7.524 1.00 30.38 C ATOM 1208 CD2 PHE A1097 -0.099 36.903 -5.828 1.00 29.55 C ATOM 1209 CE1 PHE A1097 1.511 38.560 -7.351 1.00 30.27 C ATOM 1210 CE2 PHE A1097 -0.164 38.273 -5.658 1.00 29.47 C ATOM 1211 CZ PHE A1097 0.644 39.102 -6.419 1.00 29.94 C ATOM 1212 H PHE A1097 1.235 32.294 -6.739 1.00 0.00 H ATOM 1213 N GLU A1098 0.859 33.877 -3.983 1.00 29.29 N ATOM 1214 CA GLU A1098 0.654 34.041 -2.546 1.00 30.39 C ATOM 1215 C GLU A1098 1.918 33.692 -1.762 1.00 31.14 C ATOM 1216 O GLU A1098 2.280 34.405 -0.836 1.00 31.58 O ATOM 1217 CB GLU A1098 -0.524 33.184 -2.066 1.00 30.80 C ATOM 1218 CG GLU A1098 -0.770 33.188 -0.558 1.00 31.20 C ATOM 1219 CD GLU A1098 -1.045 34.570 0.036 1.00 31.00 C ATOM 1220 OE1 GLU A1098 -1.309 35.529 -0.712 1.00 30.23 O ATOM 1221 OE2 GLU A1098 -1.003 34.699 1.279 1.00 32.61 O ATOM 1222 H GLU A1098 0.255 33.215 -4.511 1.00 0.00 H ATOM 1223 N GLN A1099 2.582 32.599 -2.136 1.00 31.53 N ATOM 1224 CA GLN A1099 3.810 32.179 -1.459 1.00 33.60 C ATOM 1225 C GLN A1099 4.907 33.242 -1.580 1.00 32.61 C ATOM 1226 O GLN A1099 5.601 33.532 -0.605 1.00 32.19 O ATOM 1227 CB GLN A1099 4.301 30.837 -2.016 1.00 35.88 C ATOM 1228 CG GLN A1099 5.479 30.231 -1.261 1.00 37.48 C ATOM 1229 CD GLN A1099 5.136 29.872 0.171 1.00 38.82 C ATOM 1230 OE1 GLN A1099 4.026 29.435 0.456 1.00 39.92 O ATOM 1231 NE2 GLN A1099 6.093 30.056 1.080 1.00 38.94 N ATOM 1232 HE22 GLN A1099 7.020 30.429 0.791 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.913 29.826 2.078 1.00 0.00 H ATOM 1234 H GLN A1099 2.219 32.031 -2.928 1.00 0.00 H ATOM 1235 N LEU A1100 5.055 33.823 -2.771 1.00 31.20 N ATOM 1236 CA LEU A1100 5.990 34.936 -2.974 1.00 31.01 C ATOM 1237 C LEU A1100 5.678 36.112 -2.036 1.00 31.63 C ATOM 1238 O LEU A1100 6.585 36.657 -1.398 1.00 29.89 O ATOM 1239 CB LEU A1100 5.979 35.412 -4.436 1.00 30.64 C ATOM 1240 CG LEU A1100 6.910 36.587 -4.771 1.00 30.36 C ATOM 1241 CD1 LEU A1100 8.348 36.259 -4.392 1.00 31.10 C ATOM 1242 CD2 LEU A1100 6.811 36.979 -6.240 1.00 30.13 C ATOM 1243 H LEU A1100 4.494 33.479 -3.576 1.00 0.00 H ATOM 1244 N CYS A1101 4.401 36.497 -1.963 1.00 30.35 N ATOM 1245 CA CYS A1101 3.963 37.596 -1.095 1.00 30.86 C ATOM 1246 C CYS A1101 4.335 37.324 0.360 1.00 31.54 C ATOM 1247 O CYS A1101 4.860 38.200 1.044 1.00 32.90 O ATOM 1248 CB CYS A1101 2.448 37.818 -1.200 1.00 29.93 C ATOM 1249 SG CYS A1101 1.903 38.576 -2.746 1.00 29.13 S ATOM 1250 H CYS A1101 3.693 36.001 -2.541 1.00 0.00 H ATOM 1251 N GLU A1102 4.066 36.106 0.817 1.00 32.26 N ATOM 1252 CA GLU A1102 4.347 35.716 2.192 1.00 34.20 C ATOM 1253 C GLU A1102 5.844 35.751 2.483 1.00 35.09 C ATOM 1254 O GLU A1102 6.266 36.197 3.557 1.00 34.27 O ATOM 1255 CB GLU A1102 3.760 34.330 2.488 1.00 36.58 C ATOM 1256 CG GLU A1102 2.236 34.331 2.553 1.00 37.29 C ATOM 1257 CD GLU A1102 1.628 32.956 2.785 1.00 39.95 C ATOM 1258 OE1 GLU A1102 2.378 32.016 3.105 1.00 43.46 O ATOM 1259 OE2 GLU A1102 0.389 32.817 2.649 1.00 38.80 O ATOM 1260 H GLU A1102 3.641 35.409 0.173 1.00 0.00 H ATOM 1261 N GLU A1103 6.647 35.308 1.517 1.00 34.37 N ATOM 1262 CA GLU A1103 8.096 35.302 1.684 1.00 35.60 C ATOM 1263 C GLU A1103 8.671 36.724 1.660 1.00 37.15 C ATOM 1264 O GLU A1103 9.587 37.016 2.416 1.00 41.02 O ATOM 1265 CB GLU A1103 8.766 34.349 0.677 1.00 34.77 C ATOM 1266 CG GLU A1103 8.495 32.886 1.038 1.00 34.69 C ATOM 1267 CD GLU A1103 9.101 31.860 0.092 1.00 34.78 C ATOM 1268 OE1 GLU A1103 9.903 32.220 -0.793 1.00 33.65 O ATOM 1269 OE2 GLU A1103 8.762 30.663 0.238 1.00 35.30 O ATOM 1270 H GLU A1103 6.234 34.960 0.628 1.00 0.00 H ATOM 1271 N ILE A1104 8.114 37.621 0.847 1.00 35.80 N ATOM 1272 CA ILE A1104 8.530 39.023 0.904 1.00 37.21 C ATOM 1273 C ILE A1104 8.149 39.603 2.272 1.00 41.51 C ATOM 1274 O ILE A1104 8.981 40.222 2.935 1.00 42.46 O ATOM 1275 CB ILE A1104 7.920 39.896 -0.211 1.00 35.95 C ATOM 1276 CG1 ILE A1104 8.330 39.398 -1.602 1.00 34.49 C ATOM 1277 CG2 ILE A1104 8.387 41.339 -0.062 1.00 36.01 C ATOM 1278 CD1 ILE A1104 7.498 39.992 -2.718 1.00 32.23 C ATOM 1279 H ILE A1104 7.382 37.324 0.170 1.00 0.00 H ATOM 1280 N GLN A1105 6.905 39.375 2.699 1.00 42.53 N ATOM 1281 CA GLN A1105 6.425 39.855 4.007 1.00 44.31 C ATOM 1282 C GLN A1105 7.338 39.384 5.144 1.00 46.71 C ATOM 1283 O GLN A1105 7.778 40.188 5.966 1.00 46.77 O ATOM 1284 CB GLN A1105 4.990 39.381 4.268 1.00 42.94 C ATOM 1285 CG GLN A1105 4.315 40.032 5.471 1.00 43.34 C ATOM 1286 CD GLN A1105 2.980 39.392 5.815 1.00 44.71 C ATOM 1287 OE1 GLN A1105 2.842 38.167 5.790 1.00 44.98 O ATOM 1288 NE2 GLN A1105 1.989 40.218 6.146 1.00 42.13 N ATOM 1289 HE22 GLN A1105 2.149 41.246 6.154 1.00 0.00 H ATOM 1290 HE21 GLN A1105 1.055 39.835 6.396 1.00 0.00 H ATOM 1291 H GLN A1105 6.253 38.841 2.089 1.00 0.00 H ATOM 1292 N GLU A1106 7.619 38.083 5.176 1.00 49.19 N ATOM 1293 CA GLU A1106 8.472 37.481 6.209 1.00 52.69 C ATOM 1294 C GLU A1106 9.899 38.043 6.232 1.00 54.44 C ATOM 1295 O GLU A1106 10.543 38.055 7.283 1.00 56.50 O ATOM 1296 CB GLU A1106 8.520 35.956 6.035 1.00 55.72 C ATOM 1297 CG GLU A1106 7.327 35.234 6.643 1.00 60.43 C ATOM 1298 CD GLU A1106 6.956 33.938 5.934 1.00 65.76 C ATOM 1299 OE1 GLU A1106 7.746 33.431 5.109 1.00 65.54 O ATOM 1300 OE2 GLU A1106 5.853 33.416 6.207 1.00 70.67 O ATOM 1301 H GLU A1106 7.218 37.468 4.439 1.00 0.00 H ATOM 1302 N SER A1107 10.389 38.498 5.080 1.00 54.65 N ATOM 1303 CA SER A1107 11.740 39.062 4.979 1.00 58.77 C ATOM 1304 C SER A1107 11.846 40.480 5.547 1.00 60.20 C ATOM 1305 O SER A1107 12.946 40.936 5.854 1.00 62.37 O ATOM 1306 CB SER A1107 12.214 39.072 3.520 1.00 56.40 C ATOM 1307 OG SER A1107 11.610 40.129 2.788 1.00 54.04 O ATOM 1308 HG SER A1107 11.935 40.109 1.853 1.00 0.00 H ATOM 1309 H SER A1107 9.796 38.452 4.227 1.00 0.00 H ATOM 1310 N ARG A1108 10.716 41.174 5.671 1.00 60.81 N ATOM 1311 CA ARG A1108 10.714 42.572 6.108 1.00 65.30 C ATOM 1312 C ARG A1108 10.653 42.680 7.629 1.00 67.71 C ATOM 1313 O ARG A1108 10.057 41.848 8.316 1.00 67.51 O ATOM 1314 CB ARG A1108 9.551 43.337 5.463 1.00 66.55 C ATOM 1315 CG ARG A1108 9.488 43.142 3.955 1.00 67.59 C ATOM 1316 CD ARG A1108 8.871 44.308 3.201 1.00 68.81 C ATOM 1317 NE ARG A1108 9.332 44.344 1.810 1.00 69.09 N ATOM 1318 CZ ARG A1108 8.892 45.191 0.881 1.00 69.57 C ATOM 1319 NH1 ARG A1108 7.957 46.093 1.169 1.00 73.86 N ATOM 1320 NH2 ARG A1108 9.385 45.132 -0.353 1.00 67.52 N ATOM 1321 OXT ARG A1108 11.218 43.608 8.205 1.00 70.13 O ATOM 1322 HE ARG A1108 10.058 43.656 1.527 1.00 0.00 H ATOM 1323 HH12 ARG A1108 7.623 46.748 0.434 1.00 0.00 H ATOM 1324 HH11 ARG A1108 7.561 46.143 2.129 1.00 0.00 H ATOM 1325 HH22 ARG A1108 9.044 45.792 -1.081 1.00 0.00 H ATOM 1326 HH21 ARG A1108 10.111 44.426 -0.590 1.00 0.00 H ATOM 1327 H ARG A1108 9.811 40.711 5.452 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -35.058 32.235 9.018 1.00 37.49 O HETATM 1330 O HOH 2 13.460 38.219 -8.056 1.00 53.93 O HETATM 1331 O HOH 3 15.159 39.483 -5.250 1.00 67.12 O HETATM 1332 O HOH 4 14.100 37.719 0.298 1.00 46.00 O HETATM 1333 O HOH 5 4.893 48.273 -1.714 1.00 52.37 O HETATM 1334 O HOH 6 4.571 51.922 -3.667 1.00 66.78 O HETATM 1335 O HOH 7 4.155 48.012 2.432 1.00 69.87 O HETATM 1336 O HOH 8 -7.107 40.462 -10.560 1.00 29.16 O HETATM 1337 O HOH 9 -13.594 48.736 -5.889 1.00 56.43 O HETATM 1338 O HOH 10 -23.492 40.735 -8.786 1.00 63.41 O HETATM 1339 O HOH 11 -19.001 36.576 -7.350 1.00 58.34 O HETATM 1340 O HOH 12 -26.153 46.471 -3.689 1.00 51.56 O HETATM 1341 O HOH 13 -20.460 50.295 -1.571 1.00 73.58 O HETATM 1342 O HOH 14 -31.712 42.025 -1.510 1.00 60.79 O HETATM 1343 O HOH 15 -20.683 34.301 -6.794 1.00 66.18 O HETATM 1344 O HOH 16 -25.019 49.456 -2.092 1.00 69.07 O HETATM 1345 O HOH 17 -18.752 50.333 13.935 1.00 63.13 O HETATM 1346 O HOH 18 -29.704 50.324 10.124 1.00 80.03 O HETATM 1347 O HOH 19 -16.259 41.212 23.646 1.00 55.51 O HETATM 1348 O HOH 20 -9.861 51.468 15.455 1.00 57.47 O HETATM 1349 O HOH 21 -8.551 40.868 18.646 1.00 58.68 O HETATM 1350 O HOH 22 -11.463 41.344 19.217 1.00 60.85 O HETATM 1351 O HOH 23 -15.816 51.170 11.114 1.00 61.69 O HETATM 1352 O HOH 24 -15.318 51.646 -1.492 1.00 55.08 O HETATM 1353 O HOH 25 -11.565 54.274 -0.633 1.00 55.75 O HETATM 1354 O HOH 26 -5.085 55.662 0.437 1.00 48.99 O HETATM 1355 O HOH 27 -3.045 47.395 9.937 1.00 72.00 O HETATM 1356 O HOH 28 -11.311 50.169 -5.051 1.00 71.19 O HETATM 1357 O HOH 29 -12.001 53.753 -3.461 1.00 78.68 O HETATM 1358 O HOH 30 -9.158 34.909 11.098 1.00 47.84 O HETATM 1359 O HOH 31 -9.011 39.256 13.038 1.00 54.59 O HETATM 1360 O HOH 32 -13.206 33.723 12.218 1.00 55.70 O HETATM 1361 O HOH 33 -12.467 35.856 15.406 1.00 68.86 O HETATM 1362 O HOH 34 -17.602 33.050 13.815 1.00 54.97 O HETATM 1363 O HOH 35 -13.096 38.645 16.321 1.00 59.83 O HETATM 1364 O HOH 36 -23.322 30.911 14.011 1.00 62.66 O HETATM 1365 O HOH 37 -38.210 39.027 14.990 1.00 57.18 O HETATM 1366 O HOH 38 -30.003 43.625 6.505 1.00 62.52 O HETATM 1367 O HOH 39 -27.903 28.497 12.789 1.00 68.41 O HETATM 1368 O HOH 40 -18.120 27.717 -1.439 1.00 50.56 O HETATM 1369 O HOH 41 -18.783 30.812 -5.056 1.00 61.00 O HETATM 1370 O HOH 42 -11.089 27.359 0.039 1.00 48.32 O HETATM 1371 O HOH 43 -7.016 29.663 -2.053 1.00 61.34 O HETATM 1372 O HOH 44 -6.150 31.108 3.544 1.00 58.94 O HETATM 1373 O HOH 45 -14.295 26.425 -3.934 1.00 45.58 O HETATM 1374 O HOH 46 -18.014 33.069 -6.830 1.00 61.46 O HETATM 1375 O HOH 47 -11.383 26.195 -7.335 1.00 60.71 O HETATM 1376 O HOH 48 -2.601 30.081 -1.930 1.00 42.47 O HETATM 1377 O HOH 49 -18.269 27.995 -6.036 1.00 65.32 O HETATM 1378 O HOH 50 1.988 27.135 -2.249 1.00 71.36 O HETATM 1379 O HOH 51 6.280 44.148 6.375 1.00 67.69 O HETATM 1380 O HOH 52 -14.045 51.695 -4.214 1.00 62.32 O HETATM 1381 O HOH 53 -3.225 57.365 1.335 1.00 58.26 O HETATM 1382 O HOH 54 -8.441 28.312 3.025 1.00 70.53 O HETATM 1383 O HOH 55 -17.042 26.674 -3.939 1.00 56.36 O HETATM 1384 O HOH 56 11.198 47.768 -2.394 1.00 64.50 O HETATM 1385 O HOH 57 13.354 41.231 -6.179 1.00 55.32 O HETATM 1386 O HOH 58 15.316 48.113 -7.011 1.00 65.37 O HETATM 1387 O HOH 59 7.709 40.735 -9.789 1.00 55.02 O HETATM 1388 O HOH 60 8.957 40.041 -6.137 1.00 49.90 O HETATM 1389 O HOH 61 15.239 46.001 -8.763 1.00 64.44 O HETATM 1390 O HOH 62 11.917 43.102 1.378 1.00 65.39 O HETATM 1391 O HOH 63 14.841 41.833 -1.919 1.00 55.57 O HETATM 1392 O HOH 64 12.350 39.867 0.311 1.00 44.42 O HETATM 1393 O HOH 65 3.878 48.361 -4.246 1.00 40.70 O HETATM 1394 O HOH 66 7.074 43.036 -12.349 1.00 64.03 O HETATM 1395 O HOH 67 5.549 39.148 -8.792 1.00 40.84 O HETATM 1396 O HOH 68 2.773 47.465 -11.433 1.00 58.38 O HETATM 1397 O HOH 69 -2.601 51.533 -12.990 1.00 41.50 O HETATM 1398 O HOH 70 3.343 50.692 -5.889 1.00 58.26 O HETATM 1399 O HOH 71 0.798 36.695 -11.465 1.00 30.87 O HETATM 1400 O HOH 72 -1.447 38.770 -13.729 1.00 26.89 O HETATM 1401 O HOH 73 -2.270 51.962 -3.423 1.00 58.51 O HETATM 1402 O HOH 74 2.954 47.263 0.110 1.00 40.10 O HETATM 1403 O HOH 75 0.363 46.580 -0.392 1.00 33.35 O HETATM 1404 O HOH 76 -8.478 45.913 -9.404 1.00 26.60 O HETATM 1405 O HOH 77 -9.183 39.399 -9.086 1.00 45.07 O HETATM 1406 O HOH 78 -11.189 46.695 -8.988 1.00 43.14 O HETATM 1407 O HOH 79 -14.263 43.278 -10.092 1.00 52.66 O HETATM 1408 O HOH 80 -15.922 48.147 -4.387 1.00 58.45 O HETATM 1409 O HOH 81 -18.263 48.677 -5.871 1.00 64.00 O HETATM 1410 O HOH 82 -20.670 40.303 -8.094 1.00 41.95 O HETATM 1411 O HOH 83 -20.315 38.039 -5.527 1.00 51.89 O HETATM 1412 O HOH 84 -17.844 38.016 -9.732 1.00 46.22 O HETATM 1413 O HOH 85 -17.130 35.489 -9.510 1.00 50.10 O HETATM 1414 O HOH 86 -24.029 45.233 -2.299 1.00 34.91 O HETATM 1415 O HOH 87 -21.702 48.429 -3.577 1.00 49.63 O HETATM 1416 O HOH 88 -25.333 46.261 -6.354 1.00 59.06 O HETATM 1417 O HOH 89 -26.997 38.295 -5.730 1.00 56.49 O HETATM 1418 O HOH 90 -26.470 41.002 -7.130 1.00 41.99 O HETATM 1419 O HOH 91 -29.746 44.146 -0.800 1.00 51.52 O HETATM 1420 O HOH 92 -27.309 42.858 2.519 1.00 36.27 O HETATM 1421 O HOH 93 -27.063 33.246 -0.757 1.00 40.71 O HETATM 1422 O HOH 94 -23.780 31.452 -2.573 1.00 49.02 O HETATM 1423 O HOH 95 -21.775 33.489 -4.342 1.00 37.04 O HETATM 1424 O HOH 96 -29.850 44.339 2.072 1.00 53.36 O HETATM 1425 O HOH 97 -25.415 50.345 3.429 1.00 66.54 O HETATM 1426 O HOH 98 -29.443 45.738 8.249 1.00 62.91 O HETATM 1427 O HOH 99 -21.250 46.764 7.979 1.00 45.68 O HETATM 1428 O HOH 100 -24.356 48.217 7.726 1.00 71.52 O HETATM 1429 O HOH 101 -18.234 48.950 -0.379 1.00 44.63 O HETATM 1430 O HOH 102 -23.023 50.884 -0.087 1.00 62.79 O HETATM 1431 O HOH 103 -22.302 54.295 6.930 1.00 64.23 O HETATM 1432 O HOH 104 -19.211 49.393 11.282 1.00 61.39 O HETATM 1433 O HOH 105 -26.124 50.775 10.028 1.00 71.31 O HETATM 1434 O HOH 106 -22.327 52.117 17.117 1.00 60.15 O HETATM 1435 O HOH 107 -29.440 46.301 20.880 1.00 68.92 O HETATM 1436 O HOH 108 -26.598 43.711 20.979 1.00 74.79 O HETATM 1437 O HOH 109 -21.795 42.850 11.798 1.00 37.90 O HETATM 1438 O HOH 110 -19.440 46.963 10.358 1.00 65.59 O HETATM 1439 O HOH 111 -18.262 44.829 11.300 1.00 36.92 O HETATM 1440 O HOH 112 -22.831 47.180 24.203 1.00 67.94 O HETATM 1441 O HOH 113 -15.981 42.119 19.129 1.00 46.91 O HETATM 1442 O HOH 114 -18.963 41.604 22.718 1.00 75.97 O HETATM 1443 O HOH 115 -14.735 42.448 16.501 1.00 37.29 O HETATM 1444 O HOH 116 -13.261 48.966 20.074 1.00 56.23 O HETATM 1445 O HOH 117 -11.629 49.293 15.869 1.00 53.26 O HETATM 1446 O HOH 118 -13.695 47.438 24.973 1.00 58.24 O HETATM 1447 O HOH 119 -8.265 44.474 10.851 1.00 46.41 O HETATM 1448 O HOH 120 -10.744 41.893 16.341 1.00 58.10 O HETATM 1449 O HOH 121 -11.941 48.277 13.126 1.00 51.28 O HETATM 1450 O HOH 122 -12.909 49.295 10.051 1.00 69.97 O HETATM 1451 O HOH 123 -16.675 48.782 9.808 1.00 41.33 O HETATM 1452 O HOH 124 -19.785 44.594 8.140 1.00 38.29 O HETATM 1453 O HOH 125 -16.036 48.060 -1.327 1.00 50.85 O HETATM 1454 O HOH 126 -13.521 52.823 0.552 1.00 44.27 O HETATM 1455 O HOH 127 -15.427 53.071 5.352 1.00 59.53 O HETATM 1456 O HOH 128 -7.300 54.496 1.604 1.00 42.85 O HETATM 1457 O HOH 129 -12.981 53.706 4.612 1.00 56.62 O HETATM 1458 O HOH 130 -4.567 45.223 9.098 1.00 61.21 O HETATM 1459 O HOH 131 -7.615 47.887 10.514 1.00 43.44 O HETATM 1460 O HOH 132 -2.802 46.380 0.602 1.00 26.94 O HETATM 1461 O HOH 133 -3.466 54.571 -2.703 1.00 56.91 O HETATM 1462 O HOH 134 -0.588 54.207 0.711 1.00 57.87 O HETATM 1463 O HOH 135 -9.630 52.634 -4.794 1.00 54.58 O HETATM 1464 O HOH 136 -8.932 54.458 -0.685 1.00 44.36 O HETATM 1465 O HOH 137 0.942 50.357 5.459 1.00 70.38 O HETATM 1466 O HOH 138 -0.617 52.792 5.870 1.00 66.02 O HETATM 1467 O HOH 139 4.250 50.531 1.269 1.00 59.96 O HETATM 1468 O HOH 140 1.945 53.158 -4.413 1.00 68.51 O HETATM 1469 O HOH 141 -3.272 43.249 7.511 1.00 59.69 O HETATM 1470 O HOH 142 -0.685 46.324 8.009 1.00 63.86 O HETATM 1471 O HOH 143 -0.527 42.304 5.489 1.00 35.86 O HETATM 1472 O HOH 144 -3.898 49.671 11.145 1.00 62.01 O HETATM 1473 O HOH 145 0.276 36.562 5.796 1.00 38.49 O HETATM 1474 O HOH 146 -6.468 34.410 7.049 1.00 48.26 O HETATM 1475 O HOH 147 -4.346 32.483 1.595 1.00 52.46 O HETATM 1476 O HOH 148 -5.478 41.551 8.445 1.00 52.96 O HETATM 1477 O HOH 149 -8.763 34.397 8.432 1.00 44.94 O HETATM 1478 O HOH 150 -10.471 37.429 11.413 1.00 36.62 O HETATM 1479 O HOH 151 -7.981 40.875 10.792 1.00 60.51 O HETATM 1480 O HOH 152 -15.268 34.119 9.761 1.00 42.04 O HETATM 1481 O HOH 153 -12.869 36.489 12.544 1.00 40.43 O HETATM 1482 O HOH 154 -20.017 42.520 9.784 1.00 34.35 O HETATM 1483 O HOH 155 -17.590 32.896 10.789 1.00 59.06 O HETATM 1484 O HOH 156 -18.705 34.994 15.405 1.00 53.80 O HETATM 1485 O HOH 157 -17.002 36.664 17.027 1.00 62.69 O HETATM 1486 O HOH 158 -15.884 38.896 15.355 1.00 37.71 O HETATM 1487 O HOH 159 -14.669 33.091 14.663 1.00 57.04 O HETATM 1488 O HOH 160 -23.955 33.170 15.809 1.00 47.58 O HETATM 1489 O HOH 161 -23.378 36.466 20.164 1.00 50.03 O HETATM 1490 O HOH 162 -25.836 41.126 20.133 1.00 63.76 O HETATM 1491 O HOH 163 -28.435 42.407 17.913 1.00 61.64 O HETATM 1492 O HOH 164 -29.468 41.684 15.365 1.00 60.38 O HETATM 1493 O HOH 165 -26.307 31.767 16.439 1.00 60.07 O HETATM 1494 O HOH 166 -30.148 30.925 17.384 1.00 58.23 O HETATM 1495 O HOH 167 -29.903 33.988 20.577 1.00 59.66 O HETATM 1496 O HOH 168 -30.064 39.904 17.863 1.00 58.44 O HETATM 1497 O HOH 169 -28.793 38.315 21.374 1.00 56.49 O HETATM 1498 O HOH 170 -32.769 40.239 16.508 1.00 71.51 O HETATM 1499 O HOH 171 -37.564 29.253 13.618 1.00 37.13 O HETATM 1500 O HOH 172 -40.560 34.222 14.035 1.00 59.56 O HETATM 1501 O HOH 173 -36.183 32.386 11.525 1.00 35.65 O HETATM 1502 O HOH 174 -32.947 33.135 19.877 1.00 51.92 O HETATM 1503 O HOH 175 -35.211 35.587 18.026 1.00 62.31 O HETATM 1504 O HOH 176 -36.607 39.011 12.457 1.00 55.16 O HETATM 1505 O HOH 177 -34.676 41.240 13.250 1.00 60.45 O HETATM 1506 O HOH 178 -34.498 34.626 7.514 1.00 31.68 O HETATM 1507 O HOH 179 -31.784 41.625 12.078 1.00 56.86 O HETATM 1508 O HOH 180 -31.349 40.813 8.039 1.00 47.39 O HETATM 1509 O HOH 181 -29.011 31.317 8.478 1.00 47.48 O HETATM 1510 O HOH 182 -30.589 30.133 14.704 1.00 46.41 O HETATM 1511 O HOH 183 -25.366 30.913 11.899 1.00 65.37 O HETATM 1512 O HOH 184 -24.693 31.060 3.254 1.00 38.19 O HETATM 1513 O HOH 185 -33.118 42.599 2.165 1.00 49.22 O HETATM 1514 O HOH 186 -28.707 41.194 5.980 1.00 47.72 O HETATM 1515 O HOH 187 -23.992 29.922 9.853 1.00 73.96 O HETATM 1516 O HOH 188 -21.471 31.336 -1.013 1.00 53.82 O HETATM 1517 O HOH 189 -21.556 28.435 5.072 1.00 67.37 O HETATM 1518 O HOH 190 -13.507 28.810 4.717 1.00 68.26 O HETATM 1519 O HOH 191 -15.793 28.773 -0.232 1.00 33.92 O HETATM 1520 O HOH 192 -19.415 29.984 -2.480 1.00 46.62 O HETATM 1521 O HOH 193 -15.252 28.537 2.696 1.00 53.93 O HETATM 1522 O HOH 194 -22.586 30.075 1.364 1.00 51.75 O HETATM 1523 O HOH 195 -9.604 29.650 -0.756 1.00 43.56 O HETATM 1524 O HOH 196 -7.494 32.334 5.709 1.00 52.58 O HETATM 1525 O HOH 197 -13.577 27.649 -1.524 1.00 41.96 O HETATM 1526 O HOH 198 -15.656 31.562 -7.353 1.00 65.80 O HETATM 1527 O HOH 199 -13.494 27.900 -5.925 1.00 47.22 O HETATM 1528 O HOH 200 -5.216 29.499 -4.243 1.00 63.75 O HETATM 1529 O HOH 201 -9.086 27.598 -11.301 1.00 58.64 O HETATM 1530 O HOH 202 -15.845 28.565 -7.539 1.00 67.80 O HETATM 1531 O HOH 203 -13.695 32.437 -10.527 1.00 48.15 O HETATM 1532 O HOH 204 -6.641 34.077 -12.722 1.00 71.03 O HETATM 1533 O HOH 205 -6.420 36.035 -11.069 1.00 35.93 O HETATM 1534 O HOH 206 2.043 28.414 -10.256 1.00 51.55 O HETATM 1535 O HOH 207 0.409 26.807 -8.326 1.00 55.77 O HETATM 1536 O HOH 208 -2.207 28.309 -10.901 1.00 77.10 O HETATM 1537 O HOH 209 -1.100 32.174 -12.645 1.00 49.12 O HETATM 1538 O HOH 210 -2.244 27.777 -7.847 1.00 40.07 O HETATM 1539 O HOH 211 0.329 29.768 -1.196 1.00 49.16 O HETATM 1540 O HOH 212 1.419 25.473 -5.915 1.00 74.60 O HETATM 1541 O HOH 213 6.461 26.244 -6.676 1.00 56.05 O HETATM 1542 O HOH 214 4.427 27.766 -3.420 1.00 45.38 O HETATM 1543 O HOH 215 4.249 35.889 5.589 1.00 58.64 O HETATM 1544 O HOH 216 11.455 35.573 3.281 1.00 42.55 O HETATM 1545 O HOH 217 11.806 34.064 -1.384 1.00 31.39 O HETATM 1546 O HOH 218 9.506 28.975 2.304 1.00 46.90 O HETATM 1547 O HOH 219 5.339 37.954 8.728 1.00 74.19 O HETATM 1548 O HOH 220 9.596 35.798 9.019 1.00 62.85 O HETATM 1549 O HOH 221 9.158 38.861 9.744 1.00 77.59 O HETATM 1550 O HOH 222 10.261 33.324 4.283 1.00 55.60 O HETATM 1551 O HOH 223 6.718 46.226 4.443 1.00 64.62 O HETATM 1552 O HOH 224 -16.245 51.931 14.405 1.00 69.07 O HETATM 1553 O HOH 225 -5.164 38.509 -10.885 1.00 26.08 O HETATM 1554 O HOH 226 -1.456 34.773 -11.175 1.00 49.96 O HETATM 1555 O HOH 227 -6.892 26.607 9.470 1.00 80.54 O HETATM 1556 C01 J A 5 -23.652 44.888 9.764 1.00 -0.02 C HETATM 1557 C05 J A 5 -24.958 44.975 10.508 1.00 0.03 C HETATM 1558 C06 J A 5 -25.837 45.954 10.241 1.00 -0.05 C HETATM 1559 C08 J A 5 -27.090 46.064 10.935 1.00 -0.00 C HETATM 1560 C09 J A 5 -28.031 47.069 10.686 1.00 -0.07 C HETATM 1561 C11 J A 5 -29.221 47.113 11.393 1.00 -0.08 C HETATM 1562 C13 J A 5 -29.493 46.164 12.356 1.00 -0.07 C HETATM 1563 C15 J A 5 -28.580 45.154 12.625 1.00 -0.04 C HETATM 1564 C17 J A 5 -27.378 45.104 11.917 1.00 0.08 C HETATM 1565 N18 J A 5 -26.446 44.102 12.170 1.00 -0.23 N HETATM 1566 C20 J A 5 -25.253 43.972 11.532 1.00 0.22 C HETATM 1567 O21 J A 5 -24.504 43.045 11.836 1.00 -0.40 O HETATM 1568 H9 J A 5 -26.671 43.428 12.873 1.00 0.24 H HETATM 1569 H8 J A 5 -28.799 44.408 13.381 1.00 0.05 H HETATM 1570 H7 J A 5 -30.426 46.207 12.906 1.00 0.06 H HETATM 1571 H6 J A 5 -29.942 47.897 11.189 1.00 0.05 H HETATM 1572 H5 J A 5 -27.827 47.821 9.932 1.00 0.06 H HETATM 1573 H4 J A 5 -25.593 46.688 9.474 1.00 0.06 H HETATM 1574 H1 J A 5 -23.589 45.711 9.036 1.00 0.04 H HETATM 1575 H2 J A 5 -23.595 43.925 9.235 1.00 0.04 H HETATM 1576 H3 J A 5 -22.818 44.965 10.477 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1556 1557 1574 1575 1576 CONECT 1557 1556 1558 1566 CONECT 1558 1557 1559 1573 CONECT 1559 1558 1560 1564 CONECT 1560 1559 1561 1572 CONECT 1561 1560 1562 1571 CONECT 1562 1561 1563 1570 CONECT 1563 1562 1564 1569 CONECT 1564 1559 1563 1565 CONECT 1565 1564 1566 1568 CONECT 1566 1557 1565 1567 CONECT 1567 1566 CONECT 1568 1565 CONECT 1569 1563 CONECT 1570 1562 CONECT 1571 1561 CONECT 1572 1560 CONECT 1573 1558 CONECT 1574 1556 CONECT 1575 1556 CONECT 1576 1556 MASTER 0 0 0 0 0 0 0 0 1575 1 25 10 END
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Related entries of code: 5a5o
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RCSB PDB
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RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
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130aa, >5A83_1|Chain... at 100%
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130aa, >5LJ0_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5a5o
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human ATAD2 bromodomain
Ligand Name
J5I
EC.Number
E.C.3.6.1.3
Resolution
2.04(Å)
Affinity (Kd/Ki/IC50)
IC50>1mM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 5649
Ligand Properties
Formula
C
1
0
H
9
NO
Molecular Weight
159.185
Exact Mass
159.068
No. of atoms
21
No. of bonds
22
Polar Surface Area
32.86
LOGP Value
1.71 (
Computed with XLOGP3
)
1.84 (
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: 2
No. of Rings: 2
Canonical SMILES
O=c1[nH]c2ccccc2cc1C
InChI String
InChI=1S/C10H9NO/c1-7-6-8-4-2-3-5-9(8)11-10(7)12/h2-6H,1H3,(H,11,12)
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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