Browse entries in the PDBbind-CN Database
HEADER 4TT2_COMPLEX COMPND 4TT2_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 SER A 160 85 ATOM 1 N SER A 979 -22.259 21.566 2.917 1.00100.31 N ATOM 2 CA SER A 979 -21.056 21.511 3.806 1.00 96.14 C ATOM 3 C SER A 979 -19.745 21.375 3.028 1.00 95.56 C ATOM 4 O SER A 979 -18.961 20.449 3.255 1.00 93.04 O ATOM 5 CB SER A 979 -21.184 20.372 4.821 1.00 95.01 C ATOM 6 OG SER A 979 -20.091 20.374 5.718 1.00 90.21 O ATOM 7 HG SER A 979 -19.249 20.257 5.211 1.00 0.00 H ATOM 8 HN3 SER A 979 -22.313 20.693 2.355 1.00 0.00 H ATOM 9 HN2 SER A 979 -22.181 22.385 2.281 1.00 0.00 H ATOM 10 HN1 SER A 979 -23.115 21.658 3.500 1.00 0.00 H ATOM 11 N MET A 980 -19.517 22.311 2.111 1.00 97.77 N ATOM 12 CA MET A 980 -18.215 22.458 1.473 1.00 97.58 C ATOM 13 C MET A 980 -17.231 23.069 2.460 1.00 92.49 C ATOM 14 O MET A 980 -16.027 22.882 2.319 1.00 92.18 O ATOM 15 CB MET A 980 -18.303 23.345 0.230 1.00101.80 C ATOM 16 CG MET A 980 -19.017 22.706 -0.948 1.00107.47 C ATOM 17 SD MET A 980 -17.970 21.621 -1.942 1.00112.00 S ATOM 18 CE MET A 980 -18.134 20.047 -1.100 1.00110.52 C ATOM 19 H MET A 980 -20.288 22.955 1.842 1.00 0.00 H ATOM 20 N GLN A 981 -17.743 23.802 3.451 1.00 90.16 N ATOM 21 CA GLN A 981 -16.899 24.394 4.491 1.00 86.58 C ATOM 22 C GLN A 981 -16.111 23.331 5.259 1.00 81.78 C ATOM 23 O GLN A 981 -14.964 23.567 5.635 1.00 78.96 O ATOM 24 CB GLN A 981 -17.719 25.273 5.453 1.00 87.93 C ATOM 25 CG GLN A 981 -18.721 24.535 6.337 1.00 90.36 C ATOM 26 CD GLN A 981 -19.444 25.455 7.317 1.00 91.80 C ATOM 27 OE1 GLN A 981 -18.834 26.322 7.948 1.00 91.56 O ATOM 28 NE2 GLN A 981 -20.751 25.258 7.457 1.00 93.87 N ATOM 29 HE22 GLN A 981 -21.227 24.516 6.906 1.00 0.00 H ATOM 30 HE21 GLN A 981 -21.298 25.846 8.118 1.00 0.00 H ATOM 31 H GLN A 981 -18.771 23.957 3.486 1.00 0.00 H ATOM 32 N GLU A 982 -16.717 22.166 5.480 1.00 80.21 N ATOM 33 CA GLU A 982 -16.006 21.045 6.096 1.00 77.26 C ATOM 34 C GLU A 982 -14.923 20.489 5.171 1.00 75.48 C ATOM 35 O GLU A 982 -13.834 20.137 5.630 1.00 74.18 O ATOM 36 CB GLU A 982 -16.970 19.933 6.510 1.00 79.16 C ATOM 37 CG GLU A 982 -17.775 20.261 7.759 1.00 79.83 C ATOM 38 CD GLU A 982 -18.649 19.109 8.230 1.00 82.45 C ATOM 39 OE1 GLU A 982 -18.539 17.992 7.677 1.00 84.86 O ATOM 40 OE2 GLU A 982 -19.450 19.322 9.164 1.00 82.40 O ATOM 41 H GLU A 982 -17.715 22.051 5.210 1.00 0.00 H ATOM 42 N GLU A 983 -15.221 20.409 3.875 1.00 75.22 N ATOM 43 CA GLU A 983 -14.222 19.993 2.888 1.00 73.90 C ATOM 44 C GLU A 983 -13.130 21.048 2.684 1.00 70.74 C ATOM 45 O GLU A 983 -11.973 20.699 2.440 1.00 69.12 O ATOM 46 CB GLU A 983 -14.880 19.642 1.550 1.00 77.92 C ATOM 47 CG GLU A 983 -15.586 18.294 1.546 1.00 80.75 C ATOM 48 CD GLU A 983 -14.638 17.117 1.356 1.00 81.28 C ATOM 49 OE1 GLU A 983 -13.563 17.075 1.998 1.00 79.37 O ATOM 50 OE2 GLU A 983 -14.975 16.217 0.560 1.00 84.99 O ATOM 51 H GLU A 983 -16.182 20.647 3.558 1.00 0.00 H ATOM 52 N ASP A 984 -13.498 22.326 2.782 1.00 69.21 N ATOM 53 CA ASP A 984 -12.523 23.423 2.735 1.00 67.17 C ATOM 54 C ASP A 984 -11.629 23.397 3.964 1.00 62.73 C ATOM 55 O ASP A 984 -10.438 23.681 3.871 1.00 61.18 O ATOM 56 CB ASP A 984 -13.216 24.787 2.638 1.00 68.80 C ATOM 57 CG ASP A 984 -13.937 24.994 1.314 1.00 73.06 C ATOM 58 OD1 ASP A 984 -13.733 24.189 0.379 1.00 74.63 O ATOM 59 OD2 ASP A 984 -14.718 25.969 1.211 1.00 74.95 O ATOM 60 H ASP A 984 -14.507 22.553 2.895 1.00 0.00 H ATOM 61 N THR A 985 -12.210 23.059 5.113 1.00 60.71 N ATOM 62 CA THR A 985 -11.444 22.888 6.345 1.00 58.14 C ATOM 63 C THR A 985 -10.437 21.750 6.200 1.00 56.64 C ATOM 64 O THR A 985 -9.273 21.901 6.575 1.00 54.39 O ATOM 65 CB THR A 985 -12.365 22.618 7.555 1.00 57.69 C ATOM 66 OG1 THR A 985 -13.208 23.754 7.770 1.00 58.54 O ATOM 67 CG2 THR A 985 -11.553 22.361 8.822 1.00 55.89 C ATOM 68 HG1 THR A 985 -13.758 23.913 6.963 1.00 0.00 H ATOM 69 H THR A 985 -13.239 22.912 5.134 1.00 0.00 H ATOM 70 N PHE A 986 -10.888 20.623 5.653 1.00 57.63 N ATOM 71 CA PHE A 986 -10.018 19.469 5.443 1.00 56.78 C ATOM 72 C PHE A 986 -8.999 19.702 4.333 1.00 57.81 C ATOM 73 O PHE A 986 -7.894 19.165 4.396 1.00 57.64 O ATOM 74 CB PHE A 986 -10.834 18.208 5.156 1.00 58.21 C ATOM 75 CG PHE A 986 -11.570 17.674 6.353 1.00 58.05 C ATOM 76 CD1 PHE A 986 -10.943 17.579 7.593 1.00 56.58 C ATOM 77 CD2 PHE A 986 -12.882 17.237 6.238 1.00 60.44 C ATOM 78 CE1 PHE A 986 -11.618 17.081 8.695 1.00 56.98 C ATOM 79 CE2 PHE A 986 -13.559 16.734 7.338 1.00 60.76 C ATOM 80 CZ PHE A 986 -12.926 16.656 8.567 1.00 59.06 C ATOM 81 H PHE A 986 -11.886 20.563 5.368 1.00 0.00 H ATOM 82 N ARG A 987 -9.365 20.493 3.324 1.00 60.06 N ATOM 83 CA ARG A 987 -8.408 20.919 2.303 1.00 60.81 C ATOM 84 C ARG A 987 -7.328 21.769 2.951 1.00 58.42 C ATOM 85 O ARG A 987 -6.139 21.522 2.762 1.00 56.87 O ATOM 86 CB ARG A 987 -9.094 21.724 1.191 1.00 64.38 C ATOM 87 CG ARG A 987 -8.130 22.221 0.116 1.00 66.73 C ATOM 88 CD ARG A 987 -8.813 23.009 -0.985 1.00 70.65 C ATOM 89 NE ARG A 987 -9.834 22.211 -1.661 1.00 74.55 N ATOM 90 CZ ARG A 987 -11.153 22.326 -1.486 1.00 76.21 C ATOM 91 NH1 ARG A 987 -11.668 23.228 -0.653 1.00 75.00 N ATOM 92 NH2 ARG A 987 -11.973 21.529 -2.164 1.00 78.99 N ATOM 93 HE ARG A 987 -9.505 21.492 -2.336 1.00 0.00 H ATOM 94 HH12 ARG A 987 -12.699 23.297 -0.534 1.00 0.00 H ATOM 95 HH11 ARG A 987 -11.039 23.863 -0.121 1.00 0.00 H ATOM 96 HH22 ARG A 987 -13.002 21.610 -2.035 1.00 0.00 H ATOM 97 HH21 ARG A 987 -11.586 20.824 -2.823 1.00 0.00 H ATOM 98 H ARG A 987 -10.352 20.814 3.262 1.00 0.00 H ATOM 99 N GLU A 988 -7.765 22.765 3.719 1.00 58.22 N ATOM 100 CA GLU A 988 -6.863 23.699 4.386 1.00 57.77 C ATOM 101 C GLU A 988 -5.924 22.984 5.353 1.00 54.78 C ATOM 102 O GLU A 988 -4.752 23.342 5.459 1.00 54.75 O ATOM 103 CB GLU A 988 -7.657 24.778 5.133 1.00 59.39 C ATOM 104 CG GLU A 988 -6.841 26.021 5.460 1.00 61.78 C ATOM 105 CD GLU A 988 -7.488 26.906 6.511 1.00 63.41 C ATOM 106 OE1 GLU A 988 -8.735 27.032 6.509 1.00 65.77 O ATOM 107 OE2 GLU A 988 -6.741 27.480 7.339 1.00 63.70 O ATOM 108 H GLU A 988 -8.790 22.882 3.849 1.00 0.00 H ATOM 109 N LEU A 989 -6.443 21.980 6.056 1.00 53.11 N ATOM 110 CA LEU A 989 -5.632 21.179 6.971 1.00 50.57 C ATOM 111 C LEU A 989 -4.552 20.409 6.215 1.00 50.71 C ATOM 112 O LEU A 989 -3.384 20.457 6.588 1.00 50.55 O ATOM 113 CB LEU A 989 -6.508 20.205 7.767 1.00 49.91 C ATOM 114 CG LEU A 989 -5.786 19.176 8.650 1.00 48.74 C ATOM 115 CD1 LEU A 989 -4.872 19.852 9.664 1.00 47.40 C ATOM 116 CD2 LEU A 989 -6.788 18.274 9.350 1.00 49.39 C ATOM 117 H LEU A 989 -7.454 21.759 5.951 1.00 0.00 H ATOM 118 N ARG A 990 -4.945 19.697 5.162 1.00 51.90 N ATOM 119 CA ARG A 990 -3.997 18.918 4.364 1.00 52.63 C ATOM 120 C ARG A 990 -2.870 19.787 3.815 1.00 53.91 C ATOM 121 O ARG A 990 -1.696 19.417 3.902 1.00 53.21 O ATOM 122 CB ARG A 990 -4.707 18.217 3.205 1.00 54.81 C ATOM 123 CG ARG A 990 -5.503 16.987 3.608 1.00 54.76 C ATOM 124 CD ARG A 990 -5.882 16.173 2.385 1.00 57.23 C ATOM 125 NE ARG A 990 -6.677 16.945 1.432 1.00 59.24 N ATOM 126 CZ ARG A 990 -7.990 17.139 1.514 1.00 59.44 C ATOM 127 NH1 ARG A 990 -8.695 16.622 2.516 1.00 58.78 N ATOM 128 NH2 ARG A 990 -8.603 17.860 0.583 1.00 61.24 N ATOM 129 HE ARG A 990 -6.177 17.376 0.628 1.00 0.00 H ATOM 130 HH12 ARG A 990 -9.721 16.782 2.567 1.00 0.00 H ATOM 131 HH11 ARG A 990 -8.220 16.057 3.249 1.00 0.00 H ATOM 132 HH22 ARG A 990 -9.630 18.017 0.639 1.00 0.00 H ATOM 133 HH21 ARG A 990 -8.057 18.268 -0.202 1.00 0.00 H ATOM 134 H ARG A 990 -5.951 19.694 4.899 1.00 0.00 H ATOM 135 N ILE A 991 -3.235 20.941 3.259 1.00 55.91 N ATOM 136 CA ILE A 991 -2.262 21.882 2.707 1.00 57.57 C ATOM 137 C ILE A 991 -1.261 22.291 3.786 1.00 57.20 C ATOM 138 O ILE A 991 -0.050 22.281 3.549 1.00 59.48 O ATOM 139 CB ILE A 991 -2.948 23.133 2.108 1.00 59.51 C ATOM 140 CG1 ILE A 991 -3.762 22.748 0.865 1.00 62.11 C ATOM 141 CG2 ILE A 991 -1.917 24.194 1.734 1.00 60.23 C ATOM 142 CD1 ILE A 991 -4.817 23.763 0.480 1.00 63.99 C ATOM 143 H ILE A 991 -4.246 21.181 3.216 1.00 0.00 H ATOM 144 N PHE A 992 -1.766 22.632 4.969 1.00 56.10 N ATOM 145 CA PHE A 992 -0.907 22.962 6.104 1.00 56.74 C ATOM 146 C PHE A 992 0.048 21.812 6.428 1.00 55.92 C ATOM 147 O PHE A 992 1.261 22.011 6.505 1.00 55.93 O ATOM 148 CB PHE A 992 -1.753 23.313 7.335 1.00 57.11 C ATOM 149 CG PHE A 992 -0.941 23.651 8.559 1.00 57.71 C ATOM 150 CD1 PHE A 992 -0.239 24.849 8.636 1.00 58.60 C ATOM 151 CD2 PHE A 992 -0.882 22.772 9.639 1.00 57.42 C ATOM 152 CE1 PHE A 992 0.509 25.161 9.762 1.00 58.88 C ATOM 153 CE2 PHE A 992 -0.135 23.082 10.768 1.00 57.25 C ATOM 154 CZ PHE A 992 0.560 24.278 10.829 1.00 57.85 C ATOM 155 H PHE A 992 -2.799 22.664 5.089 1.00 0.00 H ATOM 156 N LEU A 993 -0.505 20.612 6.591 1.00 55.39 N ATOM 157 CA LEU A 993 0.281 19.431 6.959 1.00 54.69 C ATOM 158 C LEU A 993 1.347 19.078 5.918 1.00 56.98 C ATOM 159 O LEU A 993 2.393 18.530 6.266 1.00 56.24 O ATOM 160 CB LEU A 993 -0.635 18.223 7.181 1.00 54.11 C ATOM 161 CG LEU A 993 -1.652 18.311 8.328 1.00 53.55 C ATOM 162 CD1 LEU A 993 -2.607 17.126 8.269 1.00 54.27 C ATOM 163 CD2 LEU A 993 -0.975 18.397 9.690 1.00 52.01 C ATOM 164 H LEU A 993 -1.531 20.509 6.452 1.00 0.00 H ATOM 165 N ARG A 994 1.075 19.376 4.648 1.00 59.78 N ATOM 166 CA ARG A 994 2.057 19.169 3.579 1.00 61.41 C ATOM 167 C ARG A 994 3.237 20.116 3.732 1.00 61.49 C ATOM 168 O ARG A 994 4.389 19.717 3.554 1.00 61.01 O ATOM 169 CB ARG A 994 1.427 19.377 2.195 1.00 64.01 C ATOM 170 CG ARG A 994 0.625 18.192 1.691 1.00 65.06 C ATOM 171 CD ARG A 994 0.332 18.327 0.208 1.00 68.96 C ATOM 172 NE ARG A 994 -0.781 17.475 -0.211 1.00 70.89 N ATOM 173 CZ ARG A 994 -2.072 17.809 -0.155 1.00 71.32 C ATOM 174 NH1 ARG A 994 -2.461 19.001 0.300 1.00 70.71 N ATOM 175 NH2 ARG A 994 -2.988 16.939 -0.564 1.00 72.54 N ATOM 176 HE ARG A 994 -0.547 16.532 -0.583 1.00 0.00 H ATOM 177 HH12 ARG A 994 -3.473 19.240 0.335 1.00 0.00 H ATOM 178 HH11 ARG A 994 -1.753 19.692 0.620 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.997 17.189 -0.525 1.00 0.00 H ATOM 180 HH21 ARG A 994 -2.697 16.008 -0.924 1.00 0.00 H ATOM 181 H ARG A 994 0.141 19.766 4.409 1.00 0.00 H ATOM 182 N ASN A 995 2.937 21.373 4.046 1.00 62.00 N ATOM 183 CA ASN A 995 3.967 22.381 4.256 1.00 62.81 C ATOM 184 C ASN A 995 4.867 22.032 5.439 1.00 60.86 C ATOM 185 O ASN A 995 6.075 22.254 5.391 1.00 62.52 O ATOM 186 CB ASN A 995 3.328 23.755 4.461 1.00 64.11 C ATOM 187 CG ASN A 995 4.353 24.867 4.536 1.00 66.57 C ATOM 188 OD1 ASN A 995 4.995 25.066 5.568 1.00 66.17 O ATOM 189 ND2 ASN A 995 4.507 25.604 3.442 1.00 69.63 N ATOM 190 HD22 ASN A 995 3.942 25.399 2.593 1.00 0.00 H ATOM 191 HD21 ASN A 995 5.192 26.386 3.434 1.00 0.00 H ATOM 192 H ASN A 995 1.938 21.644 4.144 1.00 0.00 H ATOM 193 N VAL A 996 4.275 21.480 6.496 1.00 58.55 N ATOM 194 CA VAL A 996 5.035 21.076 7.679 1.00 56.58 C ATOM 195 C VAL A 996 5.912 19.872 7.343 1.00 55.06 C ATOM 196 O VAL A 996 7.117 19.889 7.585 1.00 55.32 O ATOM 197 CB VAL A 996 4.110 20.743 8.875 1.00 54.73 C ATOM 198 CG1 VAL A 996 4.910 20.204 10.052 1.00 53.57 C ATOM 199 CG2 VAL A 996 3.328 21.976 9.305 1.00 56.10 C ATOM 200 H VAL A 996 3.246 21.332 6.480 1.00 0.00 H ATOM 201 N THR A 997 5.301 18.839 6.771 1.00 54.47 N ATOM 202 CA THR A 997 6.016 17.618 6.400 1.00 54.81 C ATOM 203 C THR A 997 7.099 17.886 5.352 1.00 56.34 C ATOM 204 O THR A 997 8.149 17.247 5.367 1.00 56.12 O ATOM 205 CB THR A 997 5.050 16.539 5.869 1.00 55.34 C ATOM 206 OG1 THR A 997 3.932 16.410 6.756 1.00 53.72 O ATOM 207 CG2 THR A 997 5.752 15.196 5.755 1.00 55.73 C ATOM 208 HG1 THR A 997 3.456 17.276 6.814 1.00 0.00 H ATOM 209 H THR A 997 4.280 18.901 6.581 1.00 0.00 H ATOM 210 N HIS A 998 6.840 18.828 4.448 1.00 58.75 N ATOM 211 CA HIS A 998 7.843 19.272 3.482 1.00 60.55 C ATOM 212 C HIS A 998 9.053 19.859 4.203 1.00 59.29 C ATOM 213 O HIS A 998 10.182 19.464 3.940 1.00 60.45 O ATOM 214 CB HIS A 998 7.248 20.309 2.524 1.00 63.55 C ATOM 215 CG HIS A 998 8.247 20.915 1.586 1.00 67.12 C ATOM 216 ND1 HIS A 998 8.807 20.214 0.539 1.00 69.39 N ATOM 217 CD2 HIS A 998 8.779 22.159 1.532 1.00 69.20 C ATOM 218 CE1 HIS A 998 9.643 21.000 -0.116 1.00 72.43 C ATOM 219 NE2 HIS A 998 9.644 22.186 0.466 1.00 72.34 N ATOM 220 H HIS A 998 5.895 19.261 4.428 1.00 0.00 H ATOM 221 N ARG A 999 8.806 20.790 5.119 1.00 57.87 N ATOM 222 CA ARG A 999 9.878 21.446 5.871 1.00 58.21 C ATOM 223 C ARG A 999 10.758 20.467 6.647 1.00 56.20 C ATOM 224 O ARG A 999 11.966 20.672 6.769 1.00 57.14 O ATOM 225 CB ARG A 999 9.307 22.494 6.829 1.00 58.62 C ATOM 226 CG ARG A 999 9.188 23.879 6.220 1.00 61.50 C ATOM 227 CD ARG A 999 8.739 24.895 7.253 1.00 62.31 C ATOM 228 NE ARG A 999 7.293 24.867 7.437 1.00 62.87 N ATOM 229 CZ ARG A 999 6.625 25.594 8.333 1.00 63.86 C ATOM 230 NH1 ARG A 999 7.265 26.414 9.162 1.00 64.61 N ATOM 231 NH2 ARG A 999 5.302 25.490 8.399 1.00 63.22 N ATOM 232 HE ARG A 999 6.742 24.233 6.824 1.00 0.00 H ATOM 233 HH12 ARG A 999 6.730 26.974 9.855 1.00 0.00 H ATOM 234 HH11 ARG A 999 8.301 26.495 9.117 1.00 0.00 H ATOM 235 HH22 ARG A 999 4.770 26.052 9.094 1.00 0.00 H ATOM 236 HH21 ARG A 999 4.798 24.846 7.756 1.00 0.00 H ATOM 237 H ARG A 999 7.820 21.061 5.308 1.00 0.00 H ATOM 238 N LEU A1000 10.144 19.410 7.168 1.00 53.43 N ATOM 239 CA LEU A1000 10.872 18.364 7.879 1.00 51.51 C ATOM 240 C LEU A1000 11.680 17.508 6.909 1.00 51.76 C ATOM 241 O LEU A1000 12.824 17.153 7.187 1.00 53.19 O ATOM 242 CB LEU A1000 9.899 17.470 8.652 1.00 49.56 C ATOM 243 CG LEU A1000 9.027 18.156 9.707 1.00 49.32 C ATOM 244 CD1 LEU A1000 8.017 17.171 10.269 1.00 48.05 C ATOM 245 CD2 LEU A1000 9.871 18.765 10.818 1.00 50.32 C ATOM 246 H LEU A1000 9.112 19.326 7.066 1.00 0.00 H ATOM 247 N ALA A1001 11.077 17.186 5.770 1.00 51.64 N ATOM 248 CA ALA A1001 11.687 16.289 4.797 1.00 52.70 C ATOM 249 C ALA A1001 12.877 16.915 4.060 1.00 55.33 C ATOM 250 O ALA A1001 13.790 16.200 3.654 1.00 55.47 O ATOM 251 CB ALA A1001 10.639 15.810 3.805 1.00 53.14 C ATOM 252 H ALA A1001 10.139 17.587 5.566 1.00 0.00 H ATOM 253 N ILE A1002 12.860 18.237 3.883 1.00 57.32 N ATOM 254 CA ILE A1002 13.980 18.952 3.254 1.00 59.98 C ATOM 255 C ILE A1002 15.104 19.274 4.243 1.00 60.51 C ATOM 256 O ILE A1002 16.176 19.727 3.838 1.00 63.11 O ATOM 257 CB ILE A1002 13.535 20.260 2.549 1.00 62.39 C ATOM 258 CG1 ILE A1002 13.089 21.330 3.557 1.00 62.12 C ATOM 259 CG2 ILE A1002 12.434 19.978 1.534 1.00 63.44 C ATOM 260 CD1 ILE A1002 12.677 22.636 2.909 1.00 64.73 C ATOM 261 H ILE A1002 12.030 18.778 4.199 1.00 0.00 H ATOM 262 N ASP A1003 14.856 19.062 5.533 1.00 58.89 N ATOM 263 CA ASP A1003 15.872 19.277 6.553 1.00 59.40 C ATOM 264 C ASP A1003 16.886 18.137 6.517 1.00 60.02 C ATOM 265 O ASP A1003 16.508 16.962 6.524 1.00 58.34 O ATOM 266 CB ASP A1003 15.227 19.366 7.933 1.00 57.43 C ATOM 267 CG ASP A1003 16.175 19.899 8.990 1.00 58.29 C ATOM 268 OD1 ASP A1003 17.377 19.557 8.961 1.00 59.50 O ATOM 269 OD2 ASP A1003 15.714 20.660 9.863 1.00 58.20 O ATOM 270 H ASP A1003 13.912 18.734 5.820 1.00 0.00 H ATOM 271 N LYS A1004 18.169 18.501 6.500 1.00 63.05 N ATOM 272 CA LYS A1004 19.265 17.533 6.360 1.00 63.59 C ATOM 273 C LYS A1004 19.339 16.564 7.539 1.00 59.72 C ATOM 274 O LYS A1004 19.763 15.419 7.379 1.00 58.83 O ATOM 275 CB LYS A1004 20.616 18.248 6.215 1.00 67.78 C ATOM 276 CG LYS A1004 20.878 18.872 4.852 1.00 72.14 C ATOM 277 CD LYS A1004 20.117 20.174 4.649 1.00 74.74 C ATOM 278 CE LYS A1004 20.721 20.998 3.520 1.00 79.37 C ATOM 279 NZ LYS A1004 19.925 22.229 3.253 1.00 81.47 N ATOM 280 HZ1 LYS A1004 18.956 21.962 2.984 1.00 0.00 H ATOM 281 HZ2 LYS A1004 19.899 22.816 4.111 1.00 0.00 H ATOM 282 HZ3 LYS A1004 20.366 22.765 2.478 1.00 0.00 H ATOM 283 H LYS A1004 18.403 19.510 6.589 1.00 0.00 H ATOM 284 N ARG A1005 18.924 17.031 8.714 1.00 57.38 N ATOM 285 CA ARG A1005 18.989 16.238 9.937 1.00 55.09 C ATOM 286 C ARG A1005 18.054 15.039 9.896 1.00 52.29 C ATOM 287 O ARG A1005 18.343 14.001 10.489 1.00 52.29 O ATOM 288 CB ARG A1005 18.610 17.093 11.149 1.00 55.90 C ATOM 289 CG ARG A1005 19.516 18.283 11.417 1.00 58.57 C ATOM 290 CD ARG A1005 18.974 19.113 12.569 1.00 59.43 C ATOM 291 NE ARG A1005 17.685 19.718 12.237 1.00 58.61 N ATOM 292 CZ ARG A1005 16.902 20.364 13.100 1.00 58.91 C ATOM 293 NH1 ARG A1005 17.260 20.510 14.371 1.00 60.51 N ATOM 294 NH2 ARG A1005 15.749 20.871 12.689 1.00 58.36 N ATOM 295 HE ARG A1005 17.355 19.638 11.254 1.00 0.00 H ATOM 296 HH12 ARG A1005 16.637 21.017 15.032 1.00 0.00 H ATOM 297 HH11 ARG A1005 18.163 20.117 14.705 1.00 0.00 H ATOM 298 HH22 ARG A1005 15.135 21.376 13.359 1.00 0.00 H ATOM 299 HH21 ARG A1005 15.458 20.764 11.696 1.00 0.00 H ATOM 300 H ARG A1005 18.539 17.996 8.762 1.00 0.00 H ATOM 301 N PHE A1006 16.926 15.186 9.206 1.00 50.61 N ATOM 302 CA PHE A1006 15.870 14.180 9.256 1.00 48.60 C ATOM 303 C PHE A1006 15.812 13.307 8.002 1.00 48.78 C ATOM 304 O PHE A1006 14.877 12.518 7.846 1.00 48.34 O ATOM 305 CB PHE A1006 14.508 14.855 9.513 1.00 47.18 C ATOM 306 CG PHE A1006 14.536 15.887 10.615 1.00 46.96 C ATOM 307 CD1 PHE A1006 15.168 15.621 11.826 1.00 46.84 C ATOM 308 CD2 PHE A1006 13.926 17.123 10.447 1.00 47.44 C ATOM 309 CE1 PHE A1006 15.200 16.566 12.837 1.00 47.81 C ATOM 310 CE2 PHE A1006 13.951 18.071 11.457 1.00 48.32 C ATOM 311 CZ PHE A1006 14.588 17.793 12.654 1.00 48.72 C ATOM 312 H PHE A1006 16.794 16.035 8.619 1.00 0.00 H ATOM 313 N ARG A1007 16.813 13.421 7.130 1.00 50.69 N ATOM 314 CA ARG A1007 16.887 12.602 5.913 1.00 51.84 C ATOM 315 C ARG A1007 16.711 11.105 6.200 1.00 50.11 C ATOM 316 O ARG A1007 16.055 10.393 5.440 1.00 49.83 O ATOM 317 CB ARG A1007 18.215 12.836 5.189 1.00 54.82 C ATOM 318 CG ARG A1007 18.377 11.997 3.930 1.00 57.36 C ATOM 319 CD ARG A1007 19.765 12.114 3.340 1.00 60.02 C ATOM 320 NE ARG A1007 19.937 13.372 2.624 1.00 63.17 N ATOM 321 CZ ARG A1007 21.001 13.682 1.885 1.00 66.45 C ATOM 322 NH1 ARG A1007 22.012 12.823 1.749 1.00 66.66 N ATOM 323 NH2 ARG A1007 21.051 14.862 1.273 1.00 68.98 N ATOM 324 HE ARG A1007 19.176 14.077 2.695 1.00 0.00 H ATOM 325 HH12 ARG A1007 22.837 13.078 1.169 1.00 0.00 H ATOM 326 HH11 ARG A1007 21.976 11.898 2.223 1.00 0.00 H ATOM 327 HH22 ARG A1007 21.878 15.113 0.694 1.00 0.00 H ATOM 328 HH21 ARG A1007 20.263 15.534 1.374 1.00 0.00 H ATOM 329 H ARG A1007 17.567 14.113 7.317 1.00 0.00 H ATOM 330 N VAL A1008 17.298 10.634 7.296 1.00 48.88 N ATOM 331 CA VAL A1008 17.152 9.237 7.716 1.00 48.21 C ATOM 332 C VAL A1008 15.688 8.826 7.946 1.00 47.92 C ATOM 333 O VAL A1008 15.345 7.649 7.822 1.00 48.60 O ATOM 334 CB VAL A1008 17.992 8.945 8.987 1.00 47.65 C ATOM 335 CG1 VAL A1008 17.441 9.687 10.202 1.00 47.48 C ATOM 336 CG2 VAL A1008 18.073 7.452 9.258 1.00 47.14 C ATOM 337 H VAL A1008 17.878 11.276 7.873 1.00 0.00 H ATOM 338 N PHE A1009 14.831 9.792 8.275 1.00 47.25 N ATOM 339 CA PHE A1009 13.410 9.526 8.494 1.00 46.37 C ATOM 340 C PHE A1009 12.540 9.762 7.255 1.00 47.67 C ATOM 341 O PHE A1009 11.319 9.663 7.342 1.00 48.11 O ATOM 342 CB PHE A1009 12.892 10.375 9.656 1.00 45.09 C ATOM 343 CG PHE A1009 13.719 10.251 10.904 1.00 45.35 C ATOM 344 CD1 PHE A1009 13.751 9.060 11.614 1.00 44.87 C ATOM 345 CD2 PHE A1009 14.478 11.324 11.367 1.00 45.76 C ATOM 346 CE1 PHE A1009 14.518 8.943 12.765 1.00 45.46 C ATOM 347 CE2 PHE A1009 15.242 11.213 12.519 1.00 45.37 C ATOM 348 CZ PHE A1009 15.263 10.022 13.218 1.00 45.20 C ATOM 349 H PHE A1009 15.184 10.765 8.379 1.00 0.00 H ATOM 350 N THR A1010 13.150 10.068 6.112 1.00 49.03 N ATOM 351 CA THR A1010 12.391 10.280 4.877 1.00 51.63 C ATOM 352 C THR A1010 12.122 8.959 4.156 1.00 53.93 C ATOM 353 O THR A1010 11.167 8.852 3.391 1.00 55.34 O ATOM 354 CB THR A1010 13.109 11.241 3.901 1.00 52.79 C ATOM 355 OG1 THR A1010 14.336 10.659 3.451 1.00 54.25 O ATOM 356 CG2 THR A1010 13.399 12.576 4.561 1.00 52.26 C ATOM 357 HG1 THR A1010 14.923 10.487 4.229 1.00 0.00 H ATOM 358 H THR A1010 14.186 10.158 6.095 1.00 0.00 H ATOM 359 N LYS A1011 12.973 7.964 4.398 1.00 56.07 N ATOM 360 CA LYS A1011 12.854 6.658 3.758 1.00 57.55 C ATOM 361 C LYS A1011 12.484 5.613 4.798 1.00 55.37 C ATOM 362 O LYS A1011 12.705 5.820 5.991 1.00 52.47 O ATOM 363 CB LYS A1011 14.184 6.239 3.119 1.00 60.44 C ATOM 364 CG LYS A1011 14.971 7.353 2.443 1.00 63.14 C ATOM 365 CD LYS A1011 16.326 6.858 1.954 1.00 66.00 C ATOM 366 CE LYS A1011 17.326 6.681 3.094 1.00 66.32 C ATOM 367 NZ LYS A1011 17.824 7.977 3.648 1.00 66.45 N ATOM 368 HZ1 LYS A1011 18.298 8.515 2.895 1.00 0.00 H ATOM 369 HZ2 LYS A1011 17.021 8.526 4.016 1.00 0.00 H ATOM 370 HZ3 LYS A1011 18.498 7.788 4.417 1.00 0.00 H ATOM 371 H LYS A1011 13.752 8.124 5.068 1.00 0.00 H ATOM 372 N PRO A1012 11.937 4.474 4.349 1.00 56.98 N ATOM 373 CA PRO A1012 11.827 3.334 5.255 1.00 56.53 C ATOM 374 C PRO A1012 13.209 2.805 5.645 1.00 56.06 C ATOM 375 O PRO A1012 14.209 3.130 4.991 1.00 56.40 O ATOM 376 CB PRO A1012 11.071 2.293 4.421 1.00 58.93 C ATOM 377 CG PRO A1012 11.344 2.666 3.003 1.00 60.66 C ATOM 378 CD PRO A1012 11.403 4.165 3.009 1.00 59.50 C ATOM 379 N VAL A1013 13.257 1.998 6.702 1.00 54.75 N ATOM 380 CA VAL A1013 14.512 1.413 7.165 1.00 53.89 C ATOM 381 C VAL A1013 14.971 0.318 6.203 1.00 55.62 C ATOM 382 O VAL A1013 14.192 -0.553 5.820 1.00 57.79 O ATOM 383 CB VAL A1013 14.385 0.851 8.593 1.00 52.99 C ATOM 384 CG1 VAL A1013 15.639 0.079 8.985 1.00 54.37 C ATOM 385 CG2 VAL A1013 14.124 1.988 9.570 1.00 51.50 C ATOM 386 H VAL A1013 12.377 1.778 7.212 1.00 0.00 H ATOM 387 N ASP A1014 16.243 0.383 5.820 1.00 55.07 N ATOM 388 CA ASP A1014 16.837 -0.559 4.876 1.00 56.46 C ATOM 389 C ASP A1014 16.861 -1.967 5.489 1.00 55.58 C ATOM 390 O ASP A1014 17.573 -2.199 6.464 1.00 54.45 O ATOM 391 CB ASP A1014 18.256 -0.090 4.525 1.00 57.02 C ATOM 392 CG ASP A1014 18.857 -0.833 3.348 1.00 60.00 C ATOM 393 OD1 ASP A1014 18.620 -2.051 3.202 1.00 61.91 O ATOM 394 OD2 ASP A1014 19.602 -0.194 2.576 1.00 61.25 O ATOM 395 H ASP A1014 16.841 1.139 6.210 1.00 0.00 H ATOM 396 N PRO A1015 16.075 -2.907 4.928 1.00 56.07 N ATOM 397 CA PRO A1015 16.070 -4.274 5.459 1.00 57.14 C ATOM 398 C PRO A1015 17.416 -4.980 5.338 1.00 58.41 C ATOM 399 O PRO A1015 17.775 -5.752 6.221 1.00 59.31 O ATOM 400 CB PRO A1015 15.022 -4.993 4.599 1.00 59.45 C ATOM 401 CG PRO A1015 14.215 -3.915 3.970 1.00 58.76 C ATOM 402 CD PRO A1015 15.149 -2.764 3.791 1.00 57.22 C ATOM 403 N ASP A1016 18.147 -4.715 4.257 1.00 59.58 N ATOM 404 CA ASP A1016 19.461 -5.327 4.043 1.00 60.88 C ATOM 405 C ASP A1016 20.532 -4.788 4.995 1.00 60.09 C ATOM 406 O ASP A1016 21.411 -5.537 5.416 1.00 60.74 O ATOM 407 CB ASP A1016 19.915 -5.137 2.594 1.00 62.66 C ATOM 408 CG ASP A1016 19.008 -5.836 1.603 1.00 65.56 C ATOM 409 OD1 ASP A1016 18.786 -7.054 1.753 1.00 68.21 O ATOM 410 OD2 ASP A1016 18.519 -5.174 0.668 1.00 66.58 O ATOM 411 H ASP A1016 17.775 -4.055 3.545 1.00 0.00 H ATOM 412 N GLU A1017 20.459 -3.500 5.331 1.00 59.41 N ATOM 413 CA GLU A1017 21.435 -2.873 6.232 1.00 59.32 C ATOM 414 C GLU A1017 21.082 -3.088 7.700 1.00 57.29 C ATOM 415 O GLU A1017 21.964 -3.286 8.532 1.00 57.01 O ATOM 416 CB GLU A1017 21.545 -1.369 5.960 1.00 60.36 C ATOM 417 CG GLU A1017 21.971 -1.025 4.540 1.00 63.63 C ATOM 418 CD GLU A1017 23.427 -1.349 4.263 1.00 66.07 C ATOM 419 OE1 GLU A1017 24.296 -0.843 5.011 1.00 66.64 O ATOM 420 OE2 GLU A1017 23.699 -2.099 3.294 1.00 66.96 O ATOM 421 H GLU A1017 19.687 -2.921 4.943 1.00 0.00 H ATOM 422 N VAL A1018 19.794 -3.032 8.017 1.00 56.10 N ATOM 423 CA VAL A1018 19.324 -3.233 9.382 1.00 55.26 C ATOM 424 C VAL A1018 18.334 -4.401 9.401 1.00 56.93 C ATOM 425 O VAL A1018 17.123 -4.196 9.476 1.00 57.22 O ATOM 426 CB VAL A1018 18.676 -1.953 9.940 1.00 53.26 C ATOM 427 CG1 VAL A1018 18.516 -2.057 11.443 1.00 52.88 C ATOM 428 CG2 VAL A1018 19.517 -0.736 9.590 1.00 52.31 C ATOM 429 H VAL A1018 19.099 -2.839 7.268 1.00 0.00 H ATOM 430 N PRO A1019 18.852 -5.640 9.332 1.00 59.38 N ATOM 431 CA PRO A1019 17.998 -6.830 9.209 1.00 61.28 C ATOM 432 C PRO A1019 17.136 -7.115 10.436 1.00 61.40 C ATOM 433 O PRO A1019 16.080 -7.739 10.306 1.00 63.20 O ATOM 434 CB PRO A1019 19.005 -7.961 8.990 1.00 63.41 C ATOM 435 CG PRO A1019 20.252 -7.481 9.648 1.00 62.32 C ATOM 436 CD PRO A1019 20.280 -5.997 9.441 1.00 59.62 C ATOM 437 N ASP A1020 17.578 -6.660 11.608 1.00 60.11 N ATOM 438 CA ASP A1020 16.833 -6.872 12.851 1.00 60.51 C ATOM 439 C ASP A1020 15.801 -5.784 13.155 1.00 58.56 C ATOM 440 O ASP A1020 15.091 -5.884 14.158 1.00 59.66 O ATOM 441 CB ASP A1020 17.794 -7.027 14.041 1.00 61.40 C ATOM 442 CG ASP A1020 18.533 -5.742 14.382 1.00 60.10 C ATOM 443 OD1 ASP A1020 18.962 -5.023 13.450 1.00 60.05 O ATOM 444 OD2 ASP A1020 18.697 -5.462 15.590 1.00 60.04 O ATOM 445 H ASP A1020 18.478 -6.139 11.641 1.00 0.00 H ATOM 446 N TYR A1021 15.702 -4.759 12.304 1.00 56.11 N ATOM 447 CA TYR A1021 14.755 -3.665 12.545 1.00 54.52 C ATOM 448 C TYR A1021 13.314 -4.165 12.634 1.00 56.72 C ATOM 449 O TYR A1021 12.583 -3.800 13.555 1.00 56.05 O ATOM 450 CB TYR A1021 14.853 -2.577 11.467 1.00 52.49 C ATOM 451 CG TYR A1021 14.039 -1.337 11.803 1.00 50.46 C ATOM 452 CD1 TYR A1021 14.491 -0.415 12.749 1.00 48.68 C ATOM 453 CD2 TYR A1021 12.810 -1.099 11.194 1.00 50.52 C ATOM 454 CE1 TYR A1021 13.750 0.712 13.070 1.00 47.45 C ATOM 455 CE2 TYR A1021 12.060 0.027 11.509 1.00 49.21 C ATOM 456 CZ TYR A1021 12.534 0.929 12.446 1.00 47.45 C ATOM 457 OH TYR A1021 11.790 2.044 12.757 1.00 45.65 O ATOM 458 HH TYR A1021 12.269 2.579 13.439 1.00 0.00 H ATOM 459 H TYR A1021 16.306 -4.736 11.457 1.00 0.00 H ATOM 460 N VAL A1022 12.916 -5.001 11.676 1.00 59.45 N ATOM 461 CA VAL A1022 11.550 -5.549 11.646 1.00 61.47 C ATOM 462 C VAL A1022 11.197 -6.392 12.877 1.00 63.73 C ATOM 463 O VAL A1022 10.033 -6.445 13.270 1.00 64.88 O ATOM 464 CB VAL A1022 11.268 -6.374 10.364 1.00 63.27 C ATOM 465 CG1 VAL A1022 11.073 -5.448 9.168 1.00 61.62 C ATOM 466 CG2 VAL A1022 12.366 -7.409 10.106 1.00 64.91 C ATOM 467 H VAL A1022 13.588 -5.273 10.930 1.00 0.00 H ATOM 468 N THR A1023 12.192 -7.034 13.490 1.00 64.91 N ATOM 469 CA THR A1023 11.945 -7.861 14.673 1.00 68.02 C ATOM 470 C THR A1023 11.705 -7.005 15.924 1.00 67.19 C ATOM 471 O THR A1023 11.091 -7.473 16.883 1.00 70.41 O ATOM 472 CB THR A1023 13.082 -8.879 14.941 1.00 69.70 C ATOM 473 OG1 THR A1023 14.219 -8.216 15.509 1.00 69.66 O ATOM 474 CG2 THR A1023 13.493 -9.601 13.657 1.00 70.38 C ATOM 475 HG1 THR A1023 14.545 -7.525 14.880 1.00 0.00 H ATOM 476 H THR A1023 13.161 -6.946 13.121 1.00 0.00 H ATOM 477 N VAL A1024 12.180 -5.759 15.909 1.00 63.69 N ATOM 478 CA VAL A1024 11.945 -4.826 17.018 1.00 62.17 C ATOM 479 C VAL A1024 10.688 -3.981 16.796 1.00 60.44 C ATOM 480 O VAL A1024 9.802 -3.943 17.646 1.00 61.16 O ATOM 481 CB VAL A1024 13.152 -3.890 17.224 1.00 59.92 C ATOM 482 CG1 VAL A1024 12.881 -2.898 18.353 1.00 59.67 C ATOM 483 CG2 VAL A1024 14.408 -4.706 17.507 1.00 60.71 C ATOM 484 H VAL A1024 12.733 -5.439 15.088 1.00 0.00 H ATOM 485 N ILE A1025 10.630 -3.312 15.648 1.00 58.67 N ATOM 486 CA ILE A1025 9.551 -2.380 15.308 1.00 57.41 C ATOM 487 C ILE A1025 8.476 -3.071 14.469 1.00 60.01 C ATOM 488 O ILE A1025 8.748 -3.540 13.361 1.00 60.39 O ATOM 489 CB ILE A1025 10.117 -1.170 14.530 1.00 54.23 C ATOM 490 CG1 ILE A1025 11.111 -0.401 15.408 1.00 53.44 C ATOM 491 CG2 ILE A1025 9.004 -0.255 14.034 1.00 53.28 C ATOM 492 CD1 ILE A1025 10.570 -0.003 16.769 1.00 54.30 C ATOM 493 H ILE A1025 11.391 -3.458 14.954 1.00 0.00 H ATOM 494 N LYS A1026 7.256 -3.129 15.001 1.00 61.95 N ATOM 495 CA LYS A1026 6.144 -3.787 14.317 1.00 64.42 C ATOM 496 C LYS A1026 5.305 -2.804 13.505 1.00 63.02 C ATOM 497 O LYS A1026 4.574 -3.210 12.602 1.00 65.20 O ATOM 498 CB LYS A1026 5.246 -4.521 15.324 1.00 67.75 C ATOM 499 CG LYS A1026 5.979 -5.458 16.276 1.00 69.73 C ATOM 500 CD LYS A1026 6.768 -6.533 15.542 1.00 71.00 C ATOM 501 CE LYS A1026 7.488 -7.459 16.510 1.00 73.23 C ATOM 502 NZ LYS A1026 8.235 -8.539 15.805 1.00 74.40 N ATOM 503 HZ1 LYS A1026 7.570 -9.110 15.245 1.00 0.00 H ATOM 504 HZ2 LYS A1026 8.945 -8.114 15.175 1.00 0.00 H ATOM 505 HZ3 LYS A1026 8.709 -9.145 16.505 1.00 0.00 H ATOM 506 H LYS A1026 7.090 -2.693 15.931 1.00 0.00 H ATOM 507 N GLN A1027 5.407 -1.517 13.822 1.00 60.60 N ATOM 508 CA GLN A1027 4.592 -0.502 13.173 1.00 59.72 C ATOM 509 C GLN A1027 5.477 0.637 12.657 1.00 55.97 C ATOM 510 O GLN A1027 5.508 1.717 13.245 1.00 54.25 O ATOM 511 CB GLN A1027 3.531 0.011 14.150 1.00 60.87 C ATOM 512 CG GLN A1027 2.309 0.584 13.455 1.00 62.65 C ATOM 513 CD GLN A1027 1.333 1.245 14.410 1.00 64.15 C ATOM 514 OE1 GLN A1027 1.487 1.174 15.631 1.00 64.95 O ATOM 515 NE2 GLN A1027 0.319 1.896 13.852 1.00 64.67 N ATOM 516 HE22 GLN A1027 0.229 1.929 12.816 1.00 0.00 H ATOM 517 HE21 GLN A1027 -0.385 2.372 14.451 1.00 0.00 H ATOM 518 H GLN A1027 6.088 -1.228 14.553 1.00 0.00 H ATOM 519 N PRO A1028 6.201 0.395 11.546 1.00 54.67 N ATOM 520 CA PRO A1028 7.145 1.386 11.020 1.00 52.24 C ATOM 521 C PRO A1028 6.468 2.647 10.507 1.00 51.23 C ATOM 522 O PRO A1028 5.341 2.588 10.022 1.00 54.09 O ATOM 523 CB PRO A1028 7.827 0.657 9.850 1.00 52.77 C ATOM 524 CG PRO A1028 7.452 -0.778 9.980 1.00 55.29 C ATOM 525 CD PRO A1028 6.136 -0.799 10.687 1.00 56.02 C ATOM 526 N MET A1029 7.161 3.775 10.615 1.00 49.98 N ATOM 527 CA MET A1029 6.673 5.040 10.076 1.00 49.36 C ATOM 528 C MET A1029 7.842 5.881 9.585 1.00 47.61 C ATOM 529 O MET A1029 8.914 5.864 10.182 1.00 46.94 O ATOM 530 CB MET A1029 5.885 5.813 11.144 1.00 49.59 C ATOM 531 CG MET A1029 5.139 7.045 10.629 1.00 49.35 C ATOM 532 SD MET A1029 4.003 6.728 9.263 1.00 51.44 S ATOM 533 CE MET A1029 3.043 5.360 9.907 1.00 52.87 C ATOM 534 H MET A1029 8.081 3.756 11.099 1.00 0.00 H ATOM 535 N ASP A1030 7.625 6.599 8.486 1.00 47.87 N ATOM 536 CA ASP A1030 8.589 7.569 7.969 1.00 46.78 C ATOM 537 C ASP A1030 7.837 8.695 7.256 1.00 46.40 C ATOM 538 O ASP A1030 6.620 8.619 7.074 1.00 47.00 O ATOM 539 CB ASP A1030 9.605 6.893 7.039 1.00 47.77 C ATOM 540 CG ASP A1030 8.971 6.322 5.789 1.00 50.54 C ATOM 541 OD1 ASP A1030 8.534 7.112 4.926 1.00 50.96 O ATOM 542 OD2 ASP A1030 8.926 5.078 5.663 1.00 52.99 O ATOM 543 H ASP A1030 6.731 6.464 7.972 1.00 0.00 H ATOM 544 N LEU A1031 8.561 9.731 6.847 1.00 45.32 N ATOM 545 CA LEU A1031 7.937 10.928 6.283 1.00 45.32 C ATOM 546 C LEU A1031 7.409 10.740 4.850 1.00 46.79 C ATOM 547 O LEU A1031 6.598 11.544 4.392 1.00 46.68 O ATOM 548 CB LEU A1031 8.906 12.113 6.342 1.00 45.13 C ATOM 549 CG LEU A1031 9.448 12.496 7.727 1.00 43.66 C ATOM 550 CD1 LEU A1031 10.681 13.385 7.600 1.00 43.98 C ATOM 551 CD2 LEU A1031 8.375 13.172 8.565 1.00 42.88 C ATOM 552 H LEU A1031 9.597 9.690 6.930 1.00 0.00 H ATOM 553 N SER A1032 7.867 9.704 4.144 1.00 47.45 N ATOM 554 CA SER A1032 7.272 9.349 2.851 1.00 49.57 C ATOM 555 C SER A1032 5.878 8.777 3.074 1.00 50.86 C ATOM 556 O SER A1032 4.945 9.112 2.348 1.00 52.66 O ATOM 557 CB SER A1032 8.131 8.342 2.078 1.00 50.42 C ATOM 558 OG SER A1032 9.289 8.958 1.556 1.00 50.39 O ATOM 559 HG SER A1032 9.827 9.330 2.299 1.00 0.00 H ATOM 560 H SER A1032 8.658 9.140 4.516 1.00 0.00 H ATOM 561 N SER A1033 5.744 7.916 4.084 1.00 51.18 N ATOM 562 CA SER A1033 4.449 7.343 4.452 1.00 52.44 C ATOM 563 C SER A1033 3.473 8.436 4.863 1.00 53.06 C ATOM 564 O SER A1033 2.289 8.366 4.535 1.00 55.74 O ATOM 565 CB SER A1033 4.595 6.339 5.601 1.00 51.80 C ATOM 566 OG SER A1033 5.414 5.239 5.237 1.00 53.23 O ATOM 567 HG SER A1033 5.485 4.614 6.002 1.00 0.00 H ATOM 568 H SER A1033 6.588 7.643 4.628 1.00 0.00 H ATOM 569 N VAL A1034 3.979 9.444 5.574 1.00 51.59 N ATOM 570 CA VAL A1034 3.159 10.544 6.074 1.00 51.44 C ATOM 571 C VAL A1034 2.611 11.395 4.933 1.00 53.13 C ATOM 572 O VAL A1034 1.435 11.743 4.935 1.00 54.28 O ATOM 573 CB VAL A1034 3.947 11.435 7.066 1.00 50.36 C ATOM 574 CG1 VAL A1034 3.150 12.682 7.436 1.00 50.14 C ATOM 575 CG2 VAL A1034 4.313 10.648 8.322 1.00 49.37 C ATOM 576 H VAL A1034 4.998 9.447 5.781 1.00 0.00 H ATOM 577 N ILE A1035 3.461 11.727 3.966 1.00 54.91 N ATOM 578 CA ILE A1035 3.040 12.506 2.792 1.00 58.03 C ATOM 579 C ILE A1035 1.976 11.742 1.997 1.00 60.07 C ATOM 580 O ILE A1035 1.018 12.338 1.495 1.00 62.00 O ATOM 581 CB ILE A1035 4.241 12.855 1.875 1.00 60.25 C ATOM 582 CG1 ILE A1035 5.190 13.824 2.591 1.00 59.59 C ATOM 583 CG2 ILE A1035 3.771 13.472 0.557 1.00 63.01 C ATOM 584 CD1 ILE A1035 6.607 13.818 2.052 1.00 60.78 C ATOM 585 H ILE A1035 4.454 11.427 4.042 1.00 0.00 H ATOM 586 N SER A1036 2.155 10.428 1.886 1.00 59.78 N ATOM 587 CA SER A1036 1.184 9.568 1.221 1.00 61.45 C ATOM 588 C SER A1036 -0.163 9.576 1.947 1.00 60.09 C ATOM 589 O SER A1036 -1.211 9.699 1.315 1.00 62.62 O ATOM 590 CB SER A1036 1.720 8.138 1.122 1.00 62.29 C ATOM 591 OG SER A1036 0.696 7.240 0.736 1.00 65.23 O ATOM 592 HG SER A1036 1.066 6.324 0.679 1.00 0.00 H ATOM 593 H SER A1036 3.015 10.001 2.286 1.00 0.00 H ATOM 594 N LYS A1037 -0.128 9.452 3.269 1.00 56.54 N ATOM 595 CA LYS A1037 -1.353 9.444 4.076 1.00 56.99 C ATOM 596 C LYS A1037 -2.093 10.793 4.073 1.00 55.86 C ATOM 597 O LYS A1037 -3.318 10.828 4.202 1.00 55.87 O ATOM 598 CB LYS A1037 -1.048 9.003 5.510 1.00 55.71 C ATOM 599 CG LYS A1037 -0.714 7.525 5.619 1.00 57.57 C ATOM 600 CD LYS A1037 -0.341 7.121 7.037 1.00 57.59 C ATOM 601 CE LYS A1037 -1.562 7.059 7.944 1.00 59.01 C ATOM 602 NZ LYS A1037 -1.258 6.450 9.270 1.00 59.17 N ATOM 603 HZ1 LYS A1037 -0.911 5.479 9.133 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -0.530 7.015 9.751 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -2.122 6.432 9.848 1.00 0.00 H ATOM 606 H LYS A1037 0.792 9.358 3.745 1.00 0.00 H ATOM 607 N ILE A1038 -1.354 11.891 3.926 1.00 54.09 N ATOM 608 CA ILE A1038 -1.967 13.210 3.774 1.00 53.90 C ATOM 609 C ILE A1038 -2.825 13.246 2.509 1.00 56.60 C ATOM 610 O ILE A1038 -3.954 13.729 2.541 1.00 57.94 O ATOM 611 CB ILE A1038 -0.919 14.347 3.716 1.00 52.78 C ATOM 612 CG1 ILE A1038 -0.235 14.525 5.074 1.00 50.18 C ATOM 613 CG2 ILE A1038 -1.574 15.668 3.315 1.00 53.74 C ATOM 614 CD1 ILE A1038 1.011 15.385 5.024 1.00 49.63 C ATOM 615 H ILE A1038 -0.317 11.809 3.919 1.00 0.00 H ATOM 616 N ASP A1039 -2.287 12.731 1.407 1.00 58.02 N ATOM 617 CA ASP A1039 -2.993 12.732 0.124 1.00 60.86 C ATOM 618 C ASP A1039 -4.139 11.717 0.076 1.00 62.27 C ATOM 619 O ASP A1039 -5.075 11.871 -0.716 1.00 65.00 O ATOM 620 CB ASP A1039 -2.007 12.476 -1.024 1.00 63.10 C ATOM 621 CG ASP A1039 -0.983 13.598 -1.184 1.00 62.41 C ATOM 622 OD1 ASP A1039 -1.176 14.678 -0.581 1.00 60.58 O ATOM 623 OD2 ASP A1039 0.013 13.400 -1.918 1.00 63.50 O ATOM 624 H ASP A1039 -1.335 12.315 1.458 1.00 0.00 H ATOM 625 N LEU A1040 -4.063 10.687 0.919 1.00 60.82 N ATOM 626 CA LEU A1040 -5.121 9.674 1.027 1.00 62.44 C ATOM 627 C LEU A1040 -6.229 10.054 2.020 1.00 61.45 C ATOM 628 O LEU A1040 -7.170 9.284 2.221 1.00 63.14 O ATOM 629 CB LEU A1040 -4.521 8.317 1.422 1.00 62.16 C ATOM 630 CG LEU A1040 -3.625 7.630 0.387 1.00 63.73 C ATOM 631 CD1 LEU A1040 -2.992 6.382 0.987 1.00 63.10 C ATOM 632 CD2 LEU A1040 -4.406 7.292 -0.875 1.00 67.76 C ATOM 633 H LEU A1040 -3.222 10.597 1.524 1.00 0.00 H ATOM 634 N HIS A1041 -6.108 11.230 2.637 1.00 59.45 N ATOM 635 CA HIS A1041 -7.115 11.768 3.561 1.00 59.00 C ATOM 636 C HIS A1041 -7.189 10.972 4.874 1.00 58.22 C ATOM 637 O HIS A1041 -8.255 10.858 5.483 1.00 59.35 O ATOM 638 CB HIS A1041 -8.497 11.865 2.883 1.00 61.38 C ATOM 639 CG HIS A1041 -8.538 12.804 1.713 1.00 63.05 C ATOM 640 ND1 HIS A1041 -9.712 13.353 1.242 1.00 65.01 N ATOM 641 CD2 HIS A1041 -7.551 13.307 0.932 1.00 62.74 C ATOM 642 CE1 HIS A1041 -9.449 14.142 0.216 1.00 66.00 C ATOM 643 NE2 HIS A1041 -8.144 14.133 0.008 1.00 64.92 N ATOM 644 H HIS A1041 -5.255 11.796 2.454 1.00 0.00 H ATOM 645 N LYS A1042 -6.048 10.444 5.314 1.00 56.69 N ATOM 646 CA LYS A1042 -5.970 9.693 6.567 1.00 56.04 C ATOM 647 C LYS A1042 -5.883 10.597 7.799 1.00 54.68 C ATOM 648 O LYS A1042 -6.181 10.149 8.907 1.00 55.12 O ATOM 649 CB LYS A1042 -4.765 8.753 6.555 1.00 55.70 C ATOM 650 CG LYS A1042 -4.775 7.712 5.444 1.00 58.38 C ATOM 651 CD LYS A1042 -5.890 6.697 5.635 1.00 60.97 C ATOM 652 CE LYS A1042 -5.855 5.625 4.558 1.00 64.05 C ATOM 653 NZ LYS A1042 -7.079 4.777 4.584 1.00 67.17 N ATOM 654 HZ1 LYS A1042 -7.156 4.309 5.510 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -7.916 5.374 4.425 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -7.017 4.058 3.835 1.00 0.00 H ATOM 657 H LYS A1042 -5.184 10.570 4.748 1.00 0.00 H ATOM 658 N TYR A1043 -5.463 11.852 7.614 1.00 53.69 N ATOM 659 CA TYR A1043 -5.370 12.818 8.720 1.00 52.39 C ATOM 660 C TYR A1043 -6.512 13.848 8.687 1.00 52.86 C ATOM 661 O TYR A1043 -6.530 14.752 7.845 1.00 52.60 O ATOM 662 CB TYR A1043 -4.023 13.549 8.697 1.00 50.58 C ATOM 663 CG TYR A1043 -2.812 12.644 8.690 1.00 50.16 C ATOM 664 CD1 TYR A1043 -2.648 11.651 9.659 1.00 49.51 C ATOM 665 CD2 TYR A1043 -1.818 12.789 7.719 1.00 49.78 C ATOM 666 CE1 TYR A1043 -1.534 10.825 9.652 1.00 49.11 C ATOM 667 CE2 TYR A1043 -0.704 11.968 7.704 1.00 49.12 C ATOM 668 CZ TYR A1043 -0.564 10.990 8.669 1.00 48.90 C ATOM 669 OH TYR A1043 0.546 10.180 8.642 1.00 48.71 O ATOM 670 HH TYR A1043 0.501 9.535 9.392 1.00 0.00 H ATOM 671 H TYR A1043 -5.193 12.156 6.657 1.00 0.00 H ATOM 672 N LEU A1044 -7.458 13.697 9.611 1.00 53.40 N ATOM 673 CA LEU A1044 -8.575 14.634 9.751 1.00 54.46 C ATOM 674 C LEU A1044 -8.337 15.642 10.879 1.00 53.54 C ATOM 675 O LEU A1044 -9.035 16.652 10.966 1.00 54.48 O ATOM 676 CB LEU A1044 -9.886 13.872 9.986 1.00 56.28 C ATOM 677 CG LEU A1044 -10.640 13.389 8.737 1.00 58.24 C ATOM 678 CD1 LEU A1044 -9.745 12.643 7.761 1.00 58.05 C ATOM 679 CD2 LEU A1044 -11.825 12.525 9.141 1.00 60.71 C ATOM 680 H LEU A1044 -7.402 12.884 10.257 1.00 0.00 H ATOM 681 N THR A1045 -7.359 15.363 11.739 1.00 52.69 N ATOM 682 CA THR A1045 -7.007 16.248 12.843 1.00 52.21 C ATOM 683 C THR A1045 -5.495 16.334 12.987 1.00 51.11 C ATOM 684 O THR A1045 -4.765 15.476 12.492 1.00 51.11 O ATOM 685 CB THR A1045 -7.582 15.733 14.172 1.00 53.74 C ATOM 686 OG1 THR A1045 -7.125 14.396 14.398 1.00 54.70 O ATOM 687 CG2 THR A1045 -9.105 15.746 14.148 1.00 55.25 C ATOM 688 HG1 THR A1045 -7.494 14.062 15.254 1.00 0.00 H ATOM 689 H THR A1045 -6.825 14.479 11.618 1.00 0.00 H ATOM 690 N VAL A1046 -5.030 17.370 13.673 1.00 51.82 N ATOM 691 CA VAL A1046 -3.604 17.543 13.933 1.00 51.66 C ATOM 692 C VAL A1046 -3.098 16.472 14.894 1.00 51.64 C ATOM 693 O VAL A1046 -1.957 16.029 14.776 1.00 50.57 O ATOM 694 CB VAL A1046 -3.298 18.950 14.482 1.00 53.08 C ATOM 695 CG1 VAL A1046 -1.844 19.059 14.932 1.00 53.25 C ATOM 696 CG2 VAL A1046 -3.617 20.000 13.421 1.00 53.52 C ATOM 697 H VAL A1046 -5.700 18.078 14.035 1.00 0.00 H ATOM 698 N LYS A1047 -3.945 16.061 15.838 1.00 52.95 N ATOM 699 CA LYS A1047 -3.641 14.922 16.706 1.00 53.70 C ATOM 700 C LYS A1047 -3.333 13.661 15.899 1.00 52.61 C ATOM 701 O LYS A1047 -2.402 12.933 16.234 1.00 52.33 O ATOM 702 CB LYS A1047 -4.794 14.629 17.671 1.00 56.73 C ATOM 703 CG LYS A1047 -4.782 15.441 18.956 1.00 59.27 C ATOM 704 CD LYS A1047 -5.767 14.864 19.970 1.00 63.12 C ATOM 705 CE LYS A1047 -6.183 15.882 21.027 1.00 65.92 C ATOM 706 NZ LYS A1047 -5.038 16.399 21.834 1.00 66.55 N ATOM 707 HZ1 LYS A1047 -4.577 15.607 22.326 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -4.353 16.864 21.204 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -5.389 17.085 22.532 1.00 0.00 H ATOM 710 H LYS A1047 -4.847 16.564 15.961 1.00 0.00 H ATOM 711 N ASP A1048 -4.117 13.400 14.852 1.00 52.46 N ATOM 712 CA ASP A1048 -3.897 12.223 13.998 1.00 52.41 C ATOM 713 C ASP A1048 -2.534 12.288 13.315 1.00 50.79 C ATOM 714 O ASP A1048 -1.795 11.303 13.285 1.00 50.26 O ATOM 715 CB ASP A1048 -5.005 12.076 12.938 1.00 52.99 C ATOM 716 CG ASP A1048 -6.333 11.582 13.521 1.00 55.65 C ATOM 717 OD1 ASP A1048 -6.358 11.125 14.688 1.00 56.04 O ATOM 718 OD2 ASP A1048 -7.358 11.647 12.799 1.00 55.82 O ATOM 719 H ASP A1048 -4.903 14.045 14.634 1.00 0.00 H ATOM 720 N TYR A1049 -2.211 13.455 12.770 1.00 49.80 N ATOM 721 CA TYR A1049 -0.917 13.681 12.139 1.00 49.90 C ATOM 722 C TYR A1049 0.233 13.502 13.142 1.00 49.57 C ATOM 723 O TYR A1049 1.186 12.767 12.879 1.00 49.61 O ATOM 724 CB TYR A1049 -0.874 15.084 11.523 1.00 49.72 C ATOM 725 CG TYR A1049 0.475 15.487 10.970 1.00 49.16 C ATOM 726 CD1 TYR A1049 0.852 15.132 9.679 1.00 49.54 C ATOM 727 CD2 TYR A1049 1.367 16.238 11.733 1.00 48.82 C ATOM 728 CE1 TYR A1049 2.080 15.503 9.164 1.00 49.40 C ATOM 729 CE2 TYR A1049 2.599 16.615 11.227 1.00 49.08 C ATOM 730 CZ TYR A1049 2.950 16.245 9.942 1.00 49.52 C ATOM 731 OH TYR A1049 4.173 16.617 9.436 1.00 50.29 O ATOM 732 HH TYR A1049 4.265 16.274 8.512 1.00 0.00 H ATOM 733 H TYR A1049 -2.903 14.231 12.794 1.00 0.00 H ATOM 734 N LEU A1050 0.128 14.168 14.288 1.00 48.65 N ATOM 735 CA LEU A1050 1.172 14.111 15.309 1.00 48.56 C ATOM 736 C LEU A1050 1.328 12.740 15.975 1.00 49.36 C ATOM 737 O LEU A1050 2.358 12.475 16.586 1.00 49.44 O ATOM 738 CB LEU A1050 0.932 15.181 16.381 1.00 49.50 C ATOM 739 CG LEU A1050 1.301 16.610 15.977 1.00 48.42 C ATOM 740 CD1 LEU A1050 0.809 17.612 17.012 1.00 49.03 C ATOM 741 CD2 LEU A1050 2.804 16.729 15.781 1.00 48.40 C ATOM 742 H LEU A1050 -0.720 14.745 14.462 1.00 0.00 H ATOM 743 N ARG A1051 0.323 11.875 15.872 1.00 51.02 N ATOM 744 CA ARG A1051 0.457 10.509 16.376 1.00 53.39 C ATOM 745 C ARG A1051 1.476 9.738 15.541 1.00 51.38 C ATOM 746 O ARG A1051 2.222 8.926 16.071 1.00 51.59 O ATOM 747 CB ARG A1051 -0.887 9.770 16.382 1.00 57.16 C ATOM 748 CG ARG A1051 -0.809 8.386 17.021 1.00 61.90 C ATOM 749 CD ARG A1051 -2.144 7.652 17.064 1.00 66.16 C ATOM 750 NE ARG A1051 -3.180 8.428 17.752 1.00 69.78 N ATOM 751 CZ ARG A1051 -4.151 9.128 17.160 1.00 70.63 C ATOM 752 NH1 ARG A1051 -4.266 9.168 15.832 1.00 70.62 N ATOM 753 NH2 ARG A1051 -5.026 9.796 17.908 1.00 71.27 N ATOM 754 HE ARG A1051 -3.157 8.434 18.792 1.00 0.00 H ATOM 755 HH12 ARG A1051 -5.030 9.720 15.393 1.00 0.00 H ATOM 756 HH11 ARG A1051 -3.591 8.647 15.236 1.00 0.00 H ATOM 757 HH22 ARG A1051 -5.785 10.344 17.456 1.00 0.00 H ATOM 758 HH21 ARG A1051 -4.950 9.770 18.945 1.00 0.00 H ATOM 759 H ARG A1051 -0.569 12.174 15.428 1.00 0.00 H ATOM 760 N ASP A1052 1.501 9.995 14.237 1.00 49.80 N ATOM 761 CA ASP A1052 2.467 9.352 13.351 1.00 49.56 C ATOM 762 C ASP A1052 3.854 9.973 13.493 1.00 48.21 C ATOM 763 O ASP A1052 4.862 9.267 13.435 1.00 49.13 O ATOM 764 CB ASP A1052 1.993 9.397 11.889 1.00 50.26 C ATOM 765 CG ASP A1052 1.026 8.262 11.544 1.00 51.94 C ATOM 766 OD1 ASP A1052 0.742 7.418 12.423 1.00 54.06 O ATOM 767 OD2 ASP A1052 0.553 8.208 10.388 1.00 51.79 O ATOM 768 H ASP A1052 0.817 10.670 13.839 1.00 0.00 H ATOM 769 N ILE A1053 3.910 11.285 13.694 1.00 46.87 N ATOM 770 CA ILE A1053 5.177 11.947 13.992 1.00 46.16 C ATOM 771 C ILE A1053 5.775 11.346 15.260 1.00 45.90 C ATOM 772 O ILE A1053 6.966 11.046 15.308 1.00 46.41 O ATOM 773 CB ILE A1053 5.002 13.469 14.183 1.00 46.58 C ATOM 774 CG1 ILE A1053 4.564 14.131 12.870 1.00 46.83 C ATOM 775 CG2 ILE A1053 6.290 14.105 14.703 1.00 46.89 C ATOM 776 CD1 ILE A1053 5.481 13.870 11.693 1.00 46.76 C ATOM 777 H ILE A1053 3.038 11.849 13.638 1.00 0.00 H ATOM 778 N ASP A1054 4.941 11.180 16.282 1.00 46.05 N ATOM 779 CA ASP A1054 5.370 10.560 17.530 1.00 46.78 C ATOM 780 C ASP A1054 5.828 9.132 17.305 1.00 46.41 C ATOM 781 O ASP A1054 6.806 8.694 17.901 1.00 46.68 O ATOM 782 CB ASP A1054 4.244 10.593 18.569 1.00 48.09 C ATOM 783 CG ASP A1054 4.113 11.946 19.245 1.00 48.71 C ATOM 784 OD1 ASP A1054 5.147 12.548 19.599 1.00 49.26 O ATOM 785 OD2 ASP A1054 2.971 12.406 19.439 1.00 50.59 O ATOM 786 H ASP A1054 3.956 11.501 16.189 1.00 0.00 H ATOM 787 N LEU A1055 5.121 8.415 16.439 1.00 47.31 N ATOM 788 CA LEU A1055 5.469 7.038 16.116 1.00 48.22 C ATOM 789 C LEU A1055 6.863 6.945 15.495 1.00 47.08 C ATOM 790 O LEU A1055 7.620 6.030 15.815 1.00 48.45 O ATOM 791 CB LEU A1055 4.424 6.415 15.183 1.00 48.90 C ATOM 792 CG LEU A1055 4.576 4.913 14.907 1.00 50.50 C ATOM 793 CD1 LEU A1055 4.575 4.118 16.206 1.00 51.98 C ATOM 794 CD2 LEU A1055 3.483 4.420 13.968 1.00 51.29 C ATOM 795 H LEU A1055 4.296 8.849 15.979 1.00 0.00 H ATOM 796 N ILE A1056 7.201 7.891 14.622 1.00 45.25 N ATOM 797 CA ILE A1056 8.542 7.952 14.039 1.00 44.45 C ATOM 798 C ILE A1056 9.599 8.108 15.134 1.00 44.87 C ATOM 799 O ILE A1056 10.635 7.442 15.096 1.00 47.05 O ATOM 800 CB ILE A1056 8.680 9.106 13.015 1.00 44.35 C ATOM 801 CG1 ILE A1056 7.843 8.813 11.769 1.00 44.30 C ATOM 802 CG2 ILE A1056 10.143 9.321 12.621 1.00 44.50 C ATOM 803 CD1 ILE A1056 7.893 9.893 10.708 1.00 44.13 C ATOM 804 H ILE A1056 6.495 8.604 14.348 1.00 0.00 H ATOM 805 N CYS A1057 9.336 8.980 16.104 1.00 44.46 N ATOM 806 CA CYS A1057 10.284 9.237 17.184 1.00 44.67 C ATOM 807 C CYS A1057 10.402 8.049 18.138 1.00 46.03 C ATOM 808 O CYS A1057 11.508 7.589 18.418 1.00 47.18 O ATOM 809 CB CYS A1057 9.894 10.504 17.953 1.00 45.64 C ATOM 810 SG CYS A1057 11.003 10.947 19.321 1.00 47.97 S ATOM 811 H CYS A1057 8.431 9.492 16.092 1.00 0.00 H ATOM 812 N SER A1058 9.272 7.547 18.629 1.00 46.52 N ATOM 813 CA SER A1058 9.289 6.429 19.576 1.00 48.31 C ATOM 814 C SER A1058 9.912 5.162 18.972 1.00 48.79 C ATOM 815 O SER A1058 10.596 4.425 19.676 1.00 50.88 O ATOM 816 CB SER A1058 7.884 6.133 20.106 1.00 49.25 C ATOM 817 OG SER A1058 7.056 5.606 19.089 1.00 49.68 O ATOM 818 HG SER A1058 7.450 4.764 18.748 1.00 0.00 H ATOM 819 H SER A1058 8.361 7.955 18.336 1.00 0.00 H ATOM 820 N ASN A1059 9.673 4.910 17.683 1.00 47.63 N ATOM 821 CA ASN A1059 10.335 3.809 16.973 1.00 47.56 C ATOM 822 C ASN A1059 11.858 3.956 17.002 1.00 47.53 C ATOM 823 O ASN A1059 12.576 2.986 17.258 1.00 48.84 O ATOM 824 CB ASN A1059 9.872 3.726 15.509 1.00 46.65 C ATOM 825 CG ASN A1059 8.511 3.064 15.346 1.00 48.07 C ATOM 826 OD1 ASN A1059 7.993 2.419 16.260 1.00 49.89 O ATOM 827 ND2 ASN A1059 7.925 3.219 14.162 1.00 47.42 N ATOM 828 HD22 ASN A1059 8.396 3.771 13.417 1.00 0.00 H ATOM 829 HD21 ASN A1059 6.996 2.788 13.981 1.00 0.00 H ATOM 830 H ASN A1059 8.999 5.511 17.167 1.00 0.00 H ATOM 831 N ALA A1060 12.341 5.168 16.733 1.00 46.00 N ATOM 832 CA ALA A1060 13.774 5.459 16.762 1.00 45.71 C ATOM 833 C ALA A1060 14.370 5.286 18.169 1.00 47.53 C ATOM 834 O ALA A1060 15.449 4.714 18.324 1.00 47.62 O ATOM 835 CB ALA A1060 14.035 6.864 16.238 1.00 44.50 C ATOM 836 H ALA A1060 11.677 5.932 16.495 1.00 0.00 H ATOM 837 N LEU A1061 13.661 5.771 19.185 1.00 48.80 N ATOM 838 CA LEU A1061 14.098 5.614 20.574 1.00 51.76 C ATOM 839 C LEU A1061 13.914 4.183 21.082 1.00 54.08 C ATOM 840 O LEU A1061 14.615 3.757 21.997 1.00 55.88 O ATOM 841 CB LEU A1061 13.352 6.589 21.493 1.00 52.40 C ATOM 842 CG LEU A1061 13.546 8.079 21.202 1.00 51.51 C ATOM 843 CD1 LEU A1061 12.750 8.920 22.185 1.00 52.57 C ATOM 844 CD2 LEU A1061 15.018 8.464 21.248 1.00 52.51 C ATOM 845 H LEU A1061 12.773 6.275 18.988 1.00 0.00 H ATOM 846 N GLU A1062 12.967 3.453 20.498 1.00 54.56 N ATOM 847 CA GLU A1062 12.744 2.050 20.844 1.00 57.76 C ATOM 848 C GLU A1062 13.824 1.159 20.228 1.00 57.33 C ATOM 849 O GLU A1062 14.341 0.264 20.900 1.00 58.77 O ATOM 850 CB GLU A1062 11.347 1.595 20.388 1.00 59.44 C ATOM 851 CG GLU A1062 11.034 0.117 20.601 1.00 63.03 C ATOM 852 CD GLU A1062 11.025 -0.283 22.065 1.00 67.68 C ATOM 853 OE1 GLU A1062 10.278 0.338 22.852 1.00 71.07 O ATOM 854 OE2 GLU A1062 11.755 -1.228 22.432 1.00 70.29 O ATOM 855 H GLU A1062 12.367 3.894 19.773 1.00 0.00 H ATOM 856 N TYR A1063 14.160 1.398 18.960 1.00 54.90 N ATOM 857 CA TYR A1063 15.125 0.547 18.264 1.00 55.38 C ATOM 858 C TYR A1063 16.572 0.822 18.671 1.00 56.42 C ATOM 859 O TYR A1063 17.280 -0.079 19.121 1.00 58.70 O ATOM 860 CB TYR A1063 15.019 0.671 16.740 1.00 53.24 C ATOM 861 CG TYR A1063 16.085 -0.158 16.058 1.00 53.13 C ATOM 862 CD1 TYR A1063 16.003 -1.546 16.047 1.00 54.54 C ATOM 863 CD2 TYR A1063 17.203 0.436 15.476 1.00 52.07 C ATOM 864 CE1 TYR A1063 16.986 -2.320 15.454 1.00 54.60 C ATOM 865 CE2 TYR A1063 18.191 -0.331 14.875 1.00 52.04 C ATOM 866 CZ TYR A1063 18.077 -1.709 14.869 1.00 53.15 C ATOM 867 OH TYR A1063 19.053 -2.487 14.290 1.00 53.08 O ATOM 868 HH TYR A1063 18.807 -3.442 14.378 1.00 0.00 H ATOM 869 H TYR A1063 13.730 2.201 18.459 1.00 0.00 H ATOM 870 N ASN A1064 17.013 2.061 18.484 1.00 54.74 N ATOM 871 CA ASN A1064 18.423 2.394 18.650 1.00 54.55 C ATOM 872 C ASN A1064 18.849 2.380 20.117 1.00 56.94 C ATOM 873 O ASN A1064 18.164 2.951 20.966 1.00 57.13 O ATOM 874 CB ASN A1064 18.719 3.752 18.019 1.00 52.86 C ATOM 875 CG ASN A1064 18.499 3.750 16.518 1.00 51.43 C ATOM 876 OD1 ASN A1064 19.362 3.316 15.757 1.00 51.75 O ATOM 877 ND2 ASN A1064 17.334 4.222 16.085 1.00 50.17 N ATOM 878 HD22 ASN A1064 16.633 4.579 16.765 1.00 0.00 H ATOM 879 HD21 ASN A1064 17.124 4.234 15.067 1.00 0.00 H ATOM 880 H ASN A1064 16.340 2.807 18.214 1.00 0.00 H ATOM 881 N PRO A1065 19.975 1.712 20.425 1.00 59.11 N ATOM 882 CA PRO A1065 20.500 1.744 21.788 1.00 62.09 C ATOM 883 C PRO A1065 21.201 3.072 22.065 1.00 63.72 C ATOM 884 O PRO A1065 21.350 3.881 21.159 1.00 61.74 O ATOM 885 CB PRO A1065 21.483 0.574 21.813 1.00 63.05 C ATOM 886 CG PRO A1065 21.931 0.420 20.402 1.00 60.66 C ATOM 887 CD PRO A1065 20.830 0.925 19.517 1.00 58.39 C ATOM 888 N ASP A1066 21.619 3.296 23.306 1.00 69.14 N ATOM 889 CA ASP A1066 22.227 4.566 23.701 1.00 72.05 C ATOM 890 C ASP A1066 23.724 4.382 23.949 1.00 75.41 C ATOM 891 O ASP A1066 24.263 4.873 24.943 1.00 78.77 O ATOM 892 CB ASP A1066 21.526 5.101 24.959 1.00 75.34 C ATOM 893 CG ASP A1066 21.608 6.616 25.086 1.00 76.86 C ATOM 894 OD1 ASP A1066 21.360 7.316 24.077 1.00 75.86 O ATOM 895 OD2 ASP A1066 21.893 7.107 26.202 1.00 79.31 O ATOM 896 H ASP A1066 21.511 2.546 24.018 1.00 0.00 H ATOM 897 N ARG A1067 24.393 3.686 23.029 1.00 75.40 N ATOM 898 CA ARG A1067 25.801 3.323 23.193 1.00 78.79 C ATOM 899 C ARG A1067 26.711 4.128 22.257 1.00 76.90 C ATOM 900 O ARG A1067 27.295 5.130 22.670 1.00 78.44 O ATOM 901 CB ARG A1067 25.986 1.816 22.970 1.00 80.78 C ATOM 902 CG ARG A1067 25.239 0.941 23.965 1.00 84.14 C ATOM 903 CD ARG A1067 25.429 -0.537 23.656 1.00 86.25 C ATOM 904 NE ARG A1067 24.852 -0.923 22.365 1.00 84.64 N ATOM 905 CZ ARG A1067 24.916 -2.149 21.841 1.00 85.79 C ATOM 906 NH1 ARG A1067 25.536 -3.135 22.489 1.00 88.66 N ATOM 907 NH2 ARG A1067 24.357 -2.395 20.659 1.00 83.69 N ATOM 908 HE ARG A1067 24.358 -0.189 21.818 1.00 0.00 H ATOM 909 HH12 ARG A1067 25.579 -4.086 22.070 1.00 0.00 H ATOM 910 HH11 ARG A1067 25.977 -2.953 23.413 1.00 0.00 H ATOM 911 HH22 ARG A1067 24.406 -3.350 20.249 1.00 0.00 H ATOM 912 HH21 ARG A1067 23.871 -1.633 20.145 1.00 0.00 H ATOM 913 H ARG A1067 23.896 3.391 22.164 1.00 0.00 H ATOM 914 N ASP A1068 26.805 3.702 21.000 1.00 73.92 N ATOM 915 CA ASP A1068 27.696 4.311 20.012 1.00 72.94 C ATOM 916 C ASP A1068 27.275 5.762 19.743 1.00 68.87 C ATOM 917 O ASP A1068 26.109 6.106 19.933 1.00 67.05 O ATOM 918 CB ASP A1068 27.640 3.492 18.710 1.00 73.97 C ATOM 919 CG ASP A1068 28.854 3.695 17.828 1.00 77.08 C ATOM 920 OD1 ASP A1068 29.984 3.420 18.293 1.00 80.59 O ATOM 921 OD2 ASP A1068 28.675 4.117 16.663 1.00 77.39 O ATOM 922 H ASP A1068 26.216 2.897 20.705 1.00 0.00 H ATOM 923 N PRO A1069 28.217 6.627 19.313 1.00 67.00 N ATOM 924 CA PRO A1069 27.816 7.999 18.968 1.00 64.37 C ATOM 925 C PRO A1069 26.843 8.099 17.787 1.00 59.01 C ATOM 926 O PRO A1069 26.073 9.048 17.718 1.00 57.63 O ATOM 927 CB PRO A1069 29.149 8.681 18.629 1.00 66.71 C ATOM 928 CG PRO A1069 30.168 7.899 19.380 1.00 69.26 C ATOM 929 CD PRO A1069 29.686 6.481 19.319 1.00 68.15 C ATOM 930 N GLY A1070 26.884 7.140 16.867 1.00 56.62 N ATOM 931 CA GLY A1070 25.911 7.081 15.772 1.00 53.86 C ATOM 932 C GLY A1070 24.503 6.809 16.280 1.00 52.07 C ATOM 933 O GLY A1070 23.524 7.343 15.756 1.00 48.89 O ATOM 934 H GLY A1070 27.625 6.413 16.926 1.00 0.00 H ATOM 935 N ASP A1071 24.415 5.972 17.310 1.00 53.28 N ATOM 936 CA ASP A1071 23.152 5.690 17.982 1.00 53.35 C ATOM 937 C ASP A1071 22.586 6.955 18.644 1.00 53.44 C ATOM 938 O ASP A1071 21.392 7.224 18.556 1.00 51.67 O ATOM 939 CB ASP A1071 23.332 4.596 19.045 1.00 55.22 C ATOM 940 CG ASP A1071 23.821 3.270 18.468 1.00 55.69 C ATOM 941 OD1 ASP A1071 23.299 2.832 17.420 1.00 54.83 O ATOM 942 OD2 ASP A1071 24.714 2.649 19.085 1.00 57.46 O ATOM 943 H ASP A1071 25.279 5.502 17.648 1.00 0.00 H ATOM 944 N ARG A1072 23.449 7.724 19.303 1.00 54.94 N ATOM 945 CA ARG A1072 23.026 8.940 20.008 1.00 55.48 C ATOM 946 C ARG A1072 22.665 10.074 19.048 1.00 53.54 C ATOM 947 O ARG A1072 21.772 10.882 19.330 1.00 53.36 O ATOM 948 CB ARG A1072 24.112 9.397 20.976 1.00 58.54 C ATOM 949 CG ARG A1072 24.414 8.371 22.051 1.00 61.44 C ATOM 950 CD ARG A1072 25.369 8.912 23.098 1.00 65.93 C ATOM 951 NE ARG A1072 25.749 7.878 24.057 1.00 69.19 N ATOM 952 CZ ARG A1072 26.402 8.097 25.197 1.00 74.53 C ATOM 953 NH1 ARG A1072 26.763 9.328 25.556 1.00 77.44 N ATOM 954 NH2 ARG A1072 26.695 7.074 25.992 1.00 77.00 N ATOM 955 HE ARG A1072 25.490 6.896 23.833 1.00 0.00 H ATOM 956 HH12 ARG A1072 27.272 9.481 26.450 1.00 0.00 H ATOM 957 HH11 ARG A1072 26.535 10.136 24.943 1.00 0.00 H ATOM 958 HH22 ARG A1072 27.205 7.238 26.884 1.00 0.00 H ATOM 959 HH21 ARG A1072 26.415 6.109 25.723 1.00 0.00 H ATOM 960 H ARG A1072 24.454 7.455 19.319 1.00 0.00 H ATOM 961 N LEU A1073 23.359 10.126 17.916 1.00 51.80 N ATOM 962 CA LEU A1073 23.053 11.092 16.873 1.00 50.11 C ATOM 963 C LEU A1073 21.642 10.872 16.336 1.00 48.10 C ATOM 964 O LEU A1073 20.865 11.820 16.239 1.00 47.85 O ATOM 965 CB LEU A1073 24.070 10.992 15.735 1.00 49.65 C ATOM 966 CG LEU A1073 23.872 11.931 14.547 1.00 49.14 C ATOM 967 CD1 LEU A1073 23.841 13.379 15.009 1.00 51.01 C ATOM 968 CD2 LEU A1073 24.972 11.718 13.518 1.00 49.89 C ATOM 969 H LEU A1073 24.143 9.457 17.772 1.00 0.00 H ATOM 970 N ILE A1074 21.312 9.629 15.992 1.00 46.77 N ATOM 971 CA ILE A1074 19.990 9.332 15.428 1.00 45.88 C ATOM 972 C ILE A1074 18.864 9.525 16.453 1.00 45.12 C ATOM 973 O ILE A1074 17.814 10.063 16.117 1.00 43.82 O ATOM 974 CB ILE A1074 19.915 7.929 14.764 1.00 45.89 C ATOM 975 CG1 ILE A1074 18.605 7.777 13.992 1.00 45.66 C ATOM 976 CG2 ILE A1074 20.034 6.799 15.778 1.00 46.79 C ATOM 977 CD1 ILE A1074 18.600 6.604 13.036 1.00 46.72 C ATOM 978 H ILE A1074 21.999 8.859 16.124 1.00 0.00 H ATOM 979 N ARG A1075 19.088 9.106 17.695 1.00 46.11 N ATOM 980 CA ARG A1075 18.096 9.293 18.762 1.00 46.86 C ATOM 981 C ARG A1075 17.795 10.772 18.986 1.00 47.33 C ATOM 982 O ARG A1075 16.645 11.146 19.202 1.00 47.54 O ATOM 983 CB ARG A1075 18.580 8.680 20.080 1.00 48.61 C ATOM 984 CG ARG A1075 18.645 7.163 20.087 1.00 48.46 C ATOM 985 CD ARG A1075 19.396 6.656 21.311 1.00 50.75 C ATOM 986 NE ARG A1075 18.648 6.918 22.538 1.00 52.25 N ATOM 987 CZ ARG A1075 17.600 6.209 22.959 1.00 52.22 C ATOM 988 NH1 ARG A1075 17.150 5.164 22.265 1.00 50.78 N ATOM 989 NH2 ARG A1075 16.993 6.549 24.087 1.00 54.22 N ATOM 990 HE ARG A1075 18.956 7.718 23.128 1.00 0.00 H ATOM 991 HH12 ARG A1075 16.331 4.624 22.611 1.00 0.00 H ATOM 992 HH11 ARG A1075 17.618 4.889 21.378 1.00 0.00 H ATOM 993 HH22 ARG A1075 16.175 6.002 24.423 1.00 0.00 H ATOM 994 HH21 ARG A1075 17.335 7.363 24.636 1.00 0.00 H ATOM 995 H ARG A1075 19.988 8.634 17.916 1.00 0.00 H ATOM 996 N HIS A1076 18.839 11.597 18.947 1.00 48.57 N ATOM 997 CA HIS A1076 18.705 13.040 19.124 1.00 49.57 C ATOM 998 C HIS A1076 17.954 13.679 17.959 1.00 47.57 C ATOM 999 O HIS A1076 17.152 14.592 18.161 1.00 48.75 O ATOM 1000 CB HIS A1076 20.086 13.686 19.270 1.00 52.26 C ATOM 1001 CG HIS A1076 20.043 15.171 19.451 1.00 54.20 C ATOM 1002 ND1 HIS A1076 19.918 16.047 18.394 1.00 53.86 N ATOM 1003 CD2 HIS A1076 20.110 15.935 20.566 1.00 57.03 C ATOM 1004 CE1 HIS A1076 19.907 17.287 18.851 1.00 56.03 C ATOM 1005 NE2 HIS A1076 20.023 17.247 20.166 1.00 57.88 N ATOM 1006 H HIS A1076 19.786 11.199 18.784 1.00 0.00 H ATOM 1007 N ARG A1077 18.224 13.211 16.743 1.00 45.46 N ATOM 1008 CA ARG A1077 17.525 13.705 15.555 1.00 44.14 C ATOM 1009 C ARG A1077 16.035 13.364 15.593 1.00 43.37 C ATOM 1010 O ARG A1077 15.206 14.141 15.117 1.00 43.52 O ATOM 1011 CB ARG A1077 18.161 13.140 14.281 1.00 43.37 C ATOM 1012 CG ARG A1077 19.493 13.777 13.921 1.00 44.21 C ATOM 1013 CD ARG A1077 20.277 12.919 12.940 1.00 43.59 C ATOM 1014 NE ARG A1077 21.408 13.644 12.362 1.00 44.80 N ATOM 1015 CZ ARG A1077 22.276 13.130 11.495 1.00 44.48 C ATOM 1016 NH1 ARG A1077 22.154 11.879 11.084 1.00 43.63 N ATOM 1017 NH2 ARG A1077 23.273 13.874 11.031 1.00 46.37 N ATOM 1018 HE ARG A1077 21.544 14.634 12.650 1.00 0.00 H ATOM 1019 HH12 ARG A1077 22.837 11.485 10.406 1.00 0.00 H ATOM 1020 HH11 ARG A1077 21.375 11.289 11.439 1.00 0.00 H ATOM 1021 HH22 ARG A1077 23.951 13.471 10.353 1.00 0.00 H ATOM 1022 HH21 ARG A1077 23.376 14.860 11.345 1.00 0.00 H ATOM 1023 H ARG A1077 18.951 12.475 16.634 1.00 0.00 H ATOM 1024 N ALA A1078 15.709 12.201 16.159 1.00 43.66 N ATOM 1025 CA ALA A1078 14.323 11.749 16.297 1.00 43.11 C ATOM 1026 C ALA A1078 13.526 12.643 17.250 1.00 44.84 C ATOM 1027 O ALA A1078 12.385 13.003 16.958 1.00 44.18 O ATOM 1028 CB ALA A1078 14.287 10.306 16.777 1.00 42.90 C ATOM 1029 H ALA A1078 16.471 11.590 16.517 1.00 0.00 H ATOM 1030 N CYS A1079 14.124 12.982 18.390 1.00 47.21 N ATOM 1031 CA CYS A1079 13.530 13.947 19.316 1.00 49.59 C ATOM 1032 C CYS A1079 13.424 15.321 18.663 1.00 49.56 C ATOM 1033 O CYS A1079 12.421 16.015 18.823 1.00 49.84 O ATOM 1034 CB CYS A1079 14.358 14.060 20.598 1.00 52.68 C ATOM 1035 SG CYS A1079 14.530 12.522 21.534 1.00 55.38 S ATOM 1036 H CYS A1079 15.039 12.549 18.629 1.00 0.00 H ATOM 1037 N ALA A1080 14.468 15.705 17.931 1.00 49.66 N ATOM 1038 CA ALA A1080 14.486 16.974 17.207 1.00 49.70 C ATOM 1039 C ALA A1080 13.361 17.044 16.181 1.00 48.44 C ATOM 1040 O ALA A1080 12.691 18.070 16.065 1.00 48.43 O ATOM 1041 CB ALA A1080 15.833 17.178 16.531 1.00 50.30 C ATOM 1042 H ALA A1080 15.298 15.081 17.873 1.00 0.00 H ATOM 1043 N LEU A1081 13.162 15.951 15.444 1.00 47.85 N ATOM 1044 CA LEU A1081 12.054 15.838 14.489 1.00 47.44 C ATOM 1045 C LEU A1081 10.708 16.076 15.172 1.00 47.08 C ATOM 1046 O LEU A1081 9.914 16.900 14.717 1.00 47.35 O ATOM 1047 CB LEU A1081 12.049 14.452 13.837 1.00 47.26 C ATOM 1048 CG LEU A1081 10.893 14.144 12.874 1.00 47.00 C ATOM 1049 CD1 LEU A1081 10.951 15.076 11.674 1.00 47.49 C ATOM 1050 CD2 LEU A1081 10.923 12.691 12.426 1.00 46.65 C ATOM 1051 H LEU A1081 13.816 15.149 15.550 1.00 0.00 H ATOM 1052 N ARG A1082 10.465 15.341 16.254 1.00 47.01 N ATOM 1053 CA ARG A1082 9.252 15.489 17.058 1.00 47.96 C ATOM 1054 C ARG A1082 9.104 16.927 17.557 1.00 48.77 C ATOM 1055 O ARG A1082 8.093 17.576 17.298 1.00 48.73 O ATOM 1056 CB ARG A1082 9.288 14.519 18.244 1.00 49.89 C ATOM 1057 CG ARG A1082 8.044 14.500 19.130 1.00 51.65 C ATOM 1058 CD ARG A1082 8.349 13.819 20.455 1.00 54.19 C ATOM 1059 NE ARG A1082 9.325 14.597 21.227 1.00 58.04 N ATOM 1060 CZ ARG A1082 10.230 14.098 22.076 1.00 60.88 C ATOM 1061 NH1 ARG A1082 10.332 12.787 22.299 1.00 61.33 N ATOM 1062 NH2 ARG A1082 11.056 14.925 22.710 1.00 62.39 N ATOM 1063 HE ARG A1082 9.312 15.629 21.103 1.00 0.00 H ATOM 1064 HH12 ARG A1082 11.045 12.427 22.965 1.00 0.00 H ATOM 1065 HH11 ARG A1082 9.698 12.125 21.807 1.00 0.00 H ATOM 1066 HH22 ARG A1082 11.763 14.547 23.372 1.00 0.00 H ATOM 1067 HH21 ARG A1082 10.995 15.950 22.544 1.00 0.00 H ATOM 1068 H ARG A1082 11.168 14.630 16.541 1.00 0.00 H ATOM 1069 N ASP A1083 10.120 17.432 18.248 1.00 49.43 N ATOM 1070 CA ASP A1083 10.052 18.780 18.809 1.00 51.09 C ATOM 1071 C ASP A1083 9.833 19.831 17.728 1.00 50.98 C ATOM 1072 O ASP A1083 9.024 20.741 17.906 1.00 52.92 O ATOM 1073 CB ASP A1083 11.313 19.114 19.603 1.00 52.98 C ATOM 1074 CG ASP A1083 11.537 18.171 20.770 1.00 54.28 C ATOM 1075 OD1 ASP A1083 10.594 17.438 21.140 1.00 53.09 O ATOM 1076 OD2 ASP A1083 12.668 18.158 21.309 1.00 56.15 O ATOM 1077 H ASP A1083 10.976 16.860 18.392 1.00 0.00 H ATOM 1078 N THR A1084 10.541 19.702 16.610 1.00 49.94 N ATOM 1079 CA THR A1084 10.400 20.650 15.506 1.00 49.80 C ATOM 1080 C THR A1084 8.971 20.664 14.969 1.00 48.97 C ATOM 1081 O THR A1084 8.407 21.731 14.737 1.00 49.87 O ATOM 1082 CB THR A1084 11.373 20.338 14.353 1.00 49.12 C ATOM 1083 OG1 THR A1084 12.715 20.333 14.847 1.00 50.64 O ATOM 1084 CG2 THR A1084 11.255 21.375 13.249 1.00 49.37 C ATOM 1085 HG1 THR A1084 12.804 19.642 15.550 1.00 0.00 H ATOM 1086 H THR A1084 11.209 18.910 16.519 1.00 0.00 H ATOM 1087 N ALA A1085 8.391 19.481 14.782 1.00 47.76 N ATOM 1088 CA ALA A1085 7.006 19.364 14.324 1.00 48.22 C ATOM 1089 C ALA A1085 6.032 20.052 15.285 1.00 49.31 C ATOM 1090 O ALA A1085 5.220 20.879 14.866 1.00 49.29 O ATOM 1091 CB ALA A1085 6.627 17.900 14.152 1.00 47.55 C ATOM 1092 H ALA A1085 8.937 18.615 14.966 1.00 0.00 H ATOM 1093 N TYR A1086 6.123 19.711 16.569 1.00 50.05 N ATOM 1094 CA TYR A1086 5.271 20.321 17.597 1.00 51.16 C ATOM 1095 C TYR A1086 5.470 21.829 17.677 1.00 52.93 C ATOM 1096 O TYR A1086 4.513 22.571 17.903 1.00 53.70 O ATOM 1097 CB TYR A1086 5.529 19.699 18.978 1.00 52.11 C ATOM 1098 CG TYR A1086 4.740 18.434 19.248 1.00 51.40 C ATOM 1099 CD1 TYR A1086 5.161 17.207 18.746 1.00 50.39 C ATOM 1100 CD2 TYR A1086 3.573 18.465 20.010 1.00 51.88 C ATOM 1101 CE1 TYR A1086 4.445 16.048 18.988 1.00 50.92 C ATOM 1102 CE2 TYR A1086 2.850 17.311 20.261 1.00 51.95 C ATOM 1103 CZ TYR A1086 3.290 16.105 19.748 1.00 52.03 C ATOM 1104 OH TYR A1086 2.582 14.950 19.986 1.00 52.56 O ATOM 1105 HH TYR A1086 3.038 14.189 19.547 1.00 0.00 H ATOM 1106 H TYR A1086 6.818 18.991 16.852 1.00 0.00 H ATOM 1107 N ALA A1087 6.712 22.274 17.497 1.00 53.92 N ATOM 1108 CA ALA A1087 7.042 23.694 17.584 1.00 56.05 C ATOM 1109 C ALA A1087 6.420 24.468 16.428 1.00 56.10 C ATOM 1110 O ALA A1087 5.815 25.523 16.637 1.00 58.56 O ATOM 1111 CB ALA A1087 8.547 23.892 17.608 1.00 56.66 C ATOM 1112 H ALA A1087 7.468 21.591 17.289 1.00 0.00 H ATOM 1113 N ILE A1088 6.561 23.938 15.216 1.00 54.45 N ATOM 1114 CA ILE A1088 5.985 24.567 14.024 1.00 54.49 C ATOM 1115 C ILE A1088 4.472 24.680 14.158 1.00 54.26 C ATOM 1116 O ILE A1088 3.896 25.734 13.887 1.00 57.05 O ATOM 1117 CB ILE A1088 6.327 23.784 12.737 1.00 53.31 C ATOM 1118 CG1 ILE A1088 7.810 23.954 12.394 1.00 53.92 C ATOM 1119 CG2 ILE A1088 5.468 24.255 11.564 1.00 53.44 C ATOM 1120 CD1 ILE A1088 8.312 22.970 11.358 1.00 53.41 C ATOM 1121 H ILE A1088 7.095 23.052 15.111 1.00 0.00 H ATOM 1122 N ILE A1089 3.839 23.590 14.579 1.00 52.39 N ATOM 1123 CA ILE A1089 2.393 23.554 14.732 1.00 51.91 C ATOM 1124 C ILE A1089 1.945 24.534 15.822 1.00 55.07 C ATOM 1125 O ILE A1089 1.018 25.310 15.609 1.00 55.92 O ATOM 1126 CB ILE A1089 1.894 22.122 15.021 1.00 49.57 C ATOM 1127 CG1 ILE A1089 2.106 21.238 13.789 1.00 47.74 C ATOM 1128 CG2 ILE A1089 0.421 22.119 15.396 1.00 49.39 C ATOM 1129 CD1 ILE A1089 1.956 19.759 14.062 1.00 46.57 C ATOM 1130 H ILE A1089 4.393 22.739 14.805 1.00 0.00 H ATOM 1131 N LYS A1090 2.615 24.518 16.972 1.00 58.18 N ATOM 1132 CA LYS A1090 2.289 25.443 18.065 1.00 61.59 C ATOM 1133 C LYS A1090 2.315 26.900 17.617 1.00 63.23 C ATOM 1134 O LYS A1090 1.460 27.683 18.012 1.00 65.13 O ATOM 1135 CB LYS A1090 3.248 25.264 19.248 1.00 64.40 C ATOM 1136 CG LYS A1090 2.992 26.224 20.409 1.00 68.58 C ATOM 1137 CD LYS A1090 3.956 26.001 21.567 1.00 72.13 C ATOM 1138 CE LYS A1090 3.582 24.783 22.407 1.00 73.21 C ATOM 1139 NZ LYS A1090 2.347 24.983 23.221 1.00 75.09 N ATOM 1140 HZ1 LYS A1090 2.488 25.782 23.872 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 1.546 25.186 22.589 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 2.149 24.120 23.767 1.00 0.00 H ATOM 1143 H LYS A1090 3.388 23.834 17.100 1.00 0.00 H ATOM 1144 N GLU A1091 3.293 27.260 16.794 1.00 64.49 N ATOM 1145 CA GLU A1091 3.491 28.656 16.407 1.00 67.41 C ATOM 1146 C GLU A1091 2.666 29.089 15.189 1.00 65.71 C ATOM 1147 O GLU A1091 2.452 30.281 14.984 1.00 67.69 O ATOM 1148 CB GLU A1091 4.983 28.926 16.180 1.00 70.18 C ATOM 1149 CG GLU A1091 5.789 28.917 17.477 1.00 73.78 C ATOM 1150 CD GLU A1091 7.205 28.391 17.302 1.00 75.44 C ATOM 1151 OE1 GLU A1091 7.937 28.907 16.429 1.00 77.16 O ATOM 1152 OE2 GLU A1091 7.590 27.460 18.045 1.00 75.58 O ATOM 1153 H GLU A1091 3.933 26.532 16.416 1.00 0.00 H ATOM 1154 N GLU A1092 2.190 28.133 14.396 1.00 63.04 N ATOM 1155 CA GLU A1092 1.507 28.452 13.139 1.00 62.40 C ATOM 1156 C GLU A1092 0.054 27.985 13.035 1.00 60.41 C ATOM 1157 O GLU A1092 -0.676 28.434 12.149 1.00 59.90 O ATOM 1158 CB GLU A1092 2.303 27.876 11.978 1.00 62.35 C ATOM 1159 CG GLU A1092 3.724 28.407 11.922 1.00 65.19 C ATOM 1160 CD GLU A1092 4.515 27.830 10.776 1.00 65.98 C ATOM 1161 OE1 GLU A1092 3.970 26.964 10.058 1.00 66.97 O ATOM 1162 OE2 GLU A1092 5.685 28.235 10.593 1.00 67.31 O ATOM 1163 H GLU A1092 2.305 27.137 14.674 1.00 0.00 H ATOM 1164 N LEU A1093 -0.367 27.085 13.918 1.00 58.48 N ATOM 1165 CA LEU A1093 -1.723 26.562 13.869 1.00 57.05 C ATOM 1166 C LEU A1093 -2.620 27.388 14.765 1.00 56.68 C ATOM 1167 O LEU A1093 -2.308 27.605 15.935 1.00 57.70 O ATOM 1168 CB LEU A1093 -1.760 25.109 14.324 1.00 56.63 C ATOM 1169 CG LEU A1093 -3.090 24.392 14.088 1.00 57.05 C ATOM 1170 CD1 LEU A1093 -3.388 24.270 12.598 1.00 56.69 C ATOM 1171 CD2 LEU A1093 -3.047 23.025 14.754 1.00 57.40 C ATOM 1172 H LEU A1093 0.284 26.749 14.656 1.00 0.00 H ATOM 1173 N ASP A1094 -3.735 27.847 14.209 1.00 54.80 N ATOM 1174 CA ASP A1094 -4.726 28.555 14.989 1.00 54.68 C ATOM 1175 C ASP A1094 -5.504 27.523 15.800 1.00 53.54 C ATOM 1176 O ASP A1094 -5.964 26.521 15.252 1.00 51.87 O ATOM 1177 CB ASP A1094 -5.652 29.345 14.069 1.00 54.91 C ATOM 1178 CG ASP A1094 -6.526 30.313 14.824 1.00 56.09 C ATOM 1179 OD1 ASP A1094 -7.328 29.858 15.663 1.00 56.09 O ATOM 1180 OD2 ASP A1094 -6.416 31.530 14.574 1.00 57.67 O ATOM 1181 H ASP A1094 -3.899 27.695 13.193 1.00 0.00 H ATOM 1182 N GLU A1095 -5.635 27.770 17.102 1.00 54.45 N ATOM 1183 CA GLU A1095 -6.317 26.846 18.012 1.00 54.28 C ATOM 1184 C GLU A1095 -7.760 26.564 17.614 1.00 53.23 C ATOM 1185 O GLU A1095 -8.237 25.440 17.770 1.00 52.04 O ATOM 1186 CB GLU A1095 -6.306 27.389 19.439 1.00 57.24 C ATOM 1187 CG GLU A1095 -4.973 27.249 20.151 1.00 59.07 C ATOM 1188 CD GLU A1095 -5.072 27.559 21.638 1.00 62.66 C ATOM 1189 OE1 GLU A1095 -6.038 28.243 22.053 1.00 63.91 O ATOM 1190 OE2 GLU A1095 -4.180 27.116 22.392 1.00 64.63 O ATOM 1191 H GLU A1095 -5.239 28.651 17.487 1.00 0.00 H ATOM 1192 N ASP A1096 -8.453 27.590 17.125 1.00 53.05 N ATOM 1193 CA ASP A1096 -9.852 27.458 16.725 1.00 52.80 C ATOM 1194 C ASP A1096 -10.002 26.646 15.442 1.00 51.20 C ATOM 1195 O ASP A1096 -11.037 26.017 15.226 1.00 51.04 O ATOM 1196 CB ASP A1096 -10.503 28.835 16.551 1.00 54.18 C ATOM 1197 CG ASP A1096 -10.703 29.560 17.869 1.00 55.90 C ATOM 1198 OD1 ASP A1096 -11.041 28.901 18.873 1.00 56.23 O ATOM 1199 OD2 ASP A1096 -10.530 30.794 17.899 1.00 57.47 O ATOM 1200 H ASP A1096 -7.985 28.513 17.025 1.00 0.00 H ATOM 1201 N PHE A1097 -8.977 26.669 14.594 1.00 49.98 N ATOM 1202 CA PHE A1097 -8.958 25.829 13.402 1.00 49.31 C ATOM 1203 C PHE A1097 -8.686 24.362 13.760 1.00 48.98 C ATOM 1204 O PHE A1097 -9.321 23.465 13.210 1.00 49.10 O ATOM 1205 CB PHE A1097 -7.923 26.334 12.393 1.00 49.02 C ATOM 1206 CG PHE A1097 -7.786 25.453 11.191 1.00 48.26 C ATOM 1207 CD1 PHE A1097 -8.676 25.565 10.131 1.00 49.17 C ATOM 1208 CD2 PHE A1097 -6.784 24.491 11.129 1.00 46.82 C ATOM 1209 CE1 PHE A1097 -8.562 24.740 9.023 1.00 49.54 C ATOM 1210 CE2 PHE A1097 -6.666 23.663 10.025 1.00 46.67 C ATOM 1211 CZ PHE A1097 -7.555 23.787 8.969 1.00 48.09 C ATOM 1212 H PHE A1097 -8.172 27.299 14.785 1.00 0.00 H ATOM 1213 N GLU A1098 -7.738 24.122 14.666 1.00 49.16 N ATOM 1214 CA GLU A1098 -7.475 22.772 15.167 1.00 49.63 C ATOM 1215 C GLU A1098 -8.717 22.198 15.834 1.00 49.98 C ATOM 1216 O GLU A1098 -9.063 21.036 15.634 1.00 50.43 O ATOM 1217 CB GLU A1098 -6.335 22.773 16.186 1.00 51.35 C ATOM 1218 CG GLU A1098 -5.878 21.372 16.588 1.00 53.37 C ATOM 1219 CD GLU A1098 -4.894 21.360 17.751 1.00 56.13 C ATOM 1220 OE1 GLU A1098 -4.373 22.438 18.115 1.00 57.77 O ATOM 1221 OE2 GLU A1098 -4.635 20.261 18.301 1.00 57.63 O ATOM 1222 H GLU A1098 -7.170 24.915 15.027 1.00 0.00 H ATOM 1223 N GLN A1099 -9.371 23.028 16.638 1.00 50.13 N ATOM 1224 CA GLN A1099 -10.565 22.636 17.363 1.00 50.51 C ATOM 1225 C GLN A1099 -11.714 22.306 16.417 1.00 51.06 C ATOM 1226 O GLN A1099 -12.484 21.377 16.672 1.00 51.76 O ATOM 1227 CB GLN A1099 -10.971 23.755 18.325 1.00 51.44 C ATOM 1228 CG GLN A1099 -12.191 23.462 19.180 1.00 53.32 C ATOM 1229 CD GLN A1099 -12.095 22.146 19.929 1.00 53.72 C ATOM 1230 OE1 GLN A1099 -11.008 21.673 20.247 1.00 52.88 O ATOM 1231 NE2 GLN A1099 -13.242 21.552 20.217 1.00 55.58 N ATOM 1232 HE22 GLN A1099 -14.141 21.989 19.928 1.00 0.00 H ATOM 1233 HE21 GLN A1099 -13.245 20.649 20.732 1.00 0.00 H ATOM 1234 H GLN A1099 -9.013 23.998 16.753 1.00 0.00 H ATOM 1235 N LEU A1100 -11.823 23.069 15.330 1.00 50.47 N ATOM 1236 CA LEU A1100 -12.846 22.833 14.313 1.00 51.09 C ATOM 1237 C LEU A1100 -12.705 21.439 13.710 1.00 51.93 C ATOM 1238 O LEU A1100 -13.674 20.686 13.638 1.00 52.99 O ATOM 1239 CB LEU A1100 -12.756 23.890 13.209 1.00 50.01 C ATOM 1240 CG LEU A1100 -13.670 23.727 11.995 1.00 50.40 C ATOM 1241 CD1 LEU A1100 -15.124 23.599 12.415 1.00 52.24 C ATOM 1242 CD2 LEU A1100 -13.482 24.902 11.051 1.00 50.45 C ATOM 1243 H LEU A1100 -11.158 23.858 15.201 1.00 0.00 H ATOM 1244 N CYS A1101 -11.490 21.105 13.285 1.00 52.14 N ATOM 1245 CA CYS A1101 -11.205 19.806 12.682 1.00 53.22 C ATOM 1246 C CYS A1101 -11.535 18.651 13.629 1.00 55.60 C ATOM 1247 O CYS A1101 -12.083 17.632 13.208 1.00 56.55 O ATOM 1248 CB CYS A1101 -9.739 19.737 12.256 1.00 51.45 C ATOM 1249 SG CYS A1101 -9.282 20.948 10.992 1.00 51.04 S ATOM 1250 H CYS A1101 -10.716 21.793 13.386 1.00 0.00 H ATOM 1251 N GLU A1102 -11.200 18.824 14.905 1.00 57.56 N ATOM 1252 CA GLU A1102 -11.511 17.838 15.942 1.00 61.20 C ATOM 1253 C GLU A1102 -13.027 17.590 16.048 1.00 63.37 C ATOM 1254 O GLU A1102 -13.463 16.447 16.201 1.00 63.72 O ATOM 1255 CB GLU A1102 -10.948 18.305 17.295 1.00 62.94 C ATOM 1256 CG GLU A1102 -10.836 17.221 18.363 1.00 66.40 C ATOM 1257 CD GLU A1102 -9.506 16.477 18.351 1.00 67.27 C ATOM 1258 OE1 GLU A1102 -8.501 17.021 17.837 1.00 66.53 O ATOM 1259 OE2 GLU A1102 -9.460 15.340 18.875 1.00 69.05 O ATOM 1260 H GLU A1102 -10.698 19.693 15.176 1.00 0.00 H ATOM 1261 N GLU A1103 -13.814 18.662 15.949 1.00 64.41 N ATOM 1262 CA GLU A1103 -15.277 18.590 16.086 1.00 67.55 C ATOM 1263 C GLU A1103 -15.984 18.013 14.858 1.00 68.88 C ATOM 1264 O GLU A1103 -17.028 17.372 14.988 1.00 71.03 O ATOM 1265 CB GLU A1103 -15.860 19.974 16.404 1.00 67.86 C ATOM 1266 CG GLU A1103 -15.570 20.455 17.817 1.00 68.87 C ATOM 1267 CD GLU A1103 -16.174 21.818 18.127 1.00 70.53 C ATOM 1268 OE1 GLU A1103 -16.702 22.480 17.206 1.00 70.74 O ATOM 1269 OE2 GLU A1103 -16.124 22.232 19.306 1.00 71.40 O ATOM 1270 H GLU A1103 -13.375 19.587 15.767 1.00 0.00 H ATOM 1271 N ILE A1104 -15.429 18.255 13.673 1.00 68.71 N ATOM 1272 CA ILE A1104 -15.981 17.693 12.442 1.00 70.97 C ATOM 1273 C ILE A1104 -15.850 16.170 12.437 1.00 73.77 C ATOM 1274 O ILE A1104 -16.806 15.472 12.097 1.00 76.94 O ATOM 1275 CB ILE A1104 -15.305 18.274 11.179 1.00 69.27 C ATOM 1276 CG1 ILE A1104 -15.652 19.757 11.025 1.00 68.30 C ATOM 1277 CG2 ILE A1104 -15.760 17.524 9.930 1.00 70.71 C ATOM 1278 CD1 ILE A1104 -14.737 20.499 10.078 1.00 66.91 C ATOM 1279 H ILE A1104 -14.583 18.858 13.622 1.00 0.00 H ATOM 1280 N GLN A1105 -14.681 15.654 12.817 1.00 74.36 N ATOM 1281 CA GLN A1105 -14.459 14.205 12.784 1.00 78.02 C ATOM 1282 C GLN A1105 -15.291 13.475 13.848 1.00 81.78 C ATOM 1283 O GLN A1105 -15.746 12.352 13.613 1.00 85.79 O ATOM 1284 CB GLN A1105 -12.967 13.845 12.888 1.00 76.20 C ATOM 1285 CG GLN A1105 -12.417 13.682 14.306 1.00 76.55 C ATOM 1286 CD GLN A1105 -11.229 12.734 14.387 1.00 76.16 C ATOM 1287 OE1 GLN A1105 -10.691 12.499 15.468 1.00 76.54 O ATOM 1288 NE2 GLN A1105 -10.824 12.174 13.249 1.00 75.87 N ATOM 1289 HE22 GLN A1105 -11.308 12.401 12.357 1.00 0.00 H ATOM 1290 HE21 GLN A1105 -10.024 11.510 13.252 1.00 0.00 H ATOM 1291 H GLN A1105 -13.920 16.285 13.140 1.00 0.00 H ATOM 1292 N GLU A1106 -15.490 14.110 15.004 1.00 82.01 N ATOM 1293 CA GLU A1106 -16.368 13.558 16.043 1.00 85.23 C ATOM 1294 C GLU A1106 -17.828 13.524 15.592 1.00 86.85 C ATOM 1295 O GLU A1106 -18.560 12.603 15.950 1.00 89.44 O ATOM 1296 CB GLU A1106 -16.254 14.354 17.347 1.00 86.68 C ATOM 1297 CG GLU A1106 -14.950 14.136 18.105 1.00 86.59 C ATOM 1298 CD GLU A1106 -14.767 15.112 19.259 1.00 87.36 C ATOM 1299 OE1 GLU A1106 -15.720 15.853 19.580 1.00 90.66 O ATOM 1300 OE2 GLU A1106 -13.667 15.143 19.849 1.00 86.88 O ATOM 1301 H GLU A1106 -15.012 15.018 15.173 1.00 0.00 H ATOM 1302 N SER A1107 -18.247 14.526 14.816 1.00 85.77 N ATOM 1303 CA SER A1107 -19.620 14.580 14.290 1.00 87.72 C ATOM 1304 C SER A1107 -19.896 13.445 13.302 1.00 90.39 C ATOM 1305 O SER A1107 -21.019 12.952 13.218 1.00 93.31 O ATOM 1306 CB SER A1107 -19.902 15.927 13.612 1.00 85.36 C ATOM 1307 OG SER A1107 -19.369 15.968 12.298 1.00 82.81 O ATOM 1308 HG SER A1107 -18.389 15.835 12.336 1.00 0.00 H ATOM 1309 H SER A1107 -17.584 15.290 14.576 1.00 0.00 H ATOM 1310 N ARG A1108 -18.869 13.046 12.554 1.00 90.29 N ATOM 1311 CA ARG A1108 -18.972 11.927 11.619 1.00 92.82 C ATOM 1312 C ARG A1108 -18.972 10.596 12.360 1.00 94.60 C ATOM 1313 O ARG A1108 -17.937 9.943 12.491 1.00 94.89 O ATOM 1314 CB ARG A1108 -17.818 11.966 10.618 1.00 90.95 C ATOM 1315 CG ARG A1108 -17.887 13.159 9.691 1.00 90.98 C ATOM 1316 CD ARG A1108 -16.746 13.164 8.697 1.00 90.41 C ATOM 1317 NE ARG A1108 -16.978 14.160 7.656 1.00 92.34 N ATOM 1318 CZ ARG A1108 -16.178 14.369 6.613 1.00 92.96 C ATOM 1319 NH1 ARG A1108 -15.064 13.656 6.455 1.00 91.01 N ATOM 1320 NH2 ARG A1108 -16.494 15.308 5.725 1.00 94.10 N ATOM 1321 OXT ARG A1108 -20.005 10.142 12.848 1.00 95.82 O ATOM 1322 HE ARG A1108 -17.831 14.750 7.735 1.00 0.00 H ATOM 1323 HH12 ARG A1108 -14.448 13.829 5.636 1.00 0.00 H ATOM 1324 HH11 ARG A1108 -14.811 12.926 7.151 1.00 0.00 H ATOM 1325 HH22 ARG A1108 -15.875 15.479 4.907 1.00 0.00 H ATOM 1326 HH21 ARG A1108 -17.360 15.871 5.849 1.00 0.00 H ATOM 1327 H ARG A1108 -17.962 13.548 12.638 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -8.320 13.695 16.647 1.00 38.89 O HETATM 1330 O HOH 2 19.804 16.617 15.794 1.00 42.77 O HETATM 1331 O HOH 3 11.536 7.715 0.473 1.00 43.74 O HETATM 1332 O HOH 4 5.428 9.644 -0.455 1.00 50.57 O HETATM 1333 O HOH 5 -2.595 7.984 13.702 1.00 51.71 O HETATM 1334 O HOH 6 15.814 2.352 2.538 1.00 51.18 O HETATM 1335 O HOH 7 -1.695 5.168 13.367 1.00 54.08 O HETATM 1336 O HOH 8 -4.999 13.841 5.361 1.00 38.62 O HETATM 1337 O HOH 9 16.130 5.413 6.671 1.00 40.91 O HETATM 1338 O HOH 10 21.364 1.987 7.197 1.00 44.40 O HETATM 1339 O HOH 11 -3.853 27.532 8.886 1.00 42.64 O HETATM 1340 O HOH 12 21.986 3.270 15.186 1.00 44.95 O HETATM 1341 O HOH 13 -6.113 18.018 16.941 1.00 43.12 O HETATM 1342 O HOH 14 2.633 7.646 18.509 1.00 41.03 O HETATM 1343 O HOH 15 -1.312 31.273 15.293 1.00 50.99 O HETATM 1344 O HOH 16 6.591 -1.638 18.244 1.00 45.53 O HETATM 1345 O HOH 17 14.354 -4.969 8.972 1.00 41.09 O HETATM 1346 O HOH 18 6.229 0.163 16.223 1.00 46.21 O HETATM 1347 O HOH 19 -1.886 20.864 18.714 1.00 44.52 O HETATM 1348 O HOH 20 2.136 27.552 7.981 1.00 42.55 O HETATM 1349 O HOH 21 7.663 25.800 21.192 1.00 46.02 O HETATM 1350 O HOH 22 16.620 22.617 5.737 1.00 51.58 O HETATM 1351 O HOH 23 -8.335 14.987 5.415 1.00 52.60 O HETATM 1352 O HOH 24 7.896 15.106 25.051 1.00 53.19 O HETATM 1353 O HOH 25 7.304 3.006 19.483 1.00 44.74 O HETATM 1354 O HOH 26 5.367 18.200 22.647 1.00 59.16 O HETATM 1355 O HOH 27 13.037 3.915 14.024 1.00 45.74 O HETATM 1356 O HOH 28 25.842 3.746 14.785 1.00 50.63 O HETATM 1357 O HOH 29 29.299 -4.504 12.404 1.00 47.90 O HETATM 1358 N SER A 30 22.092 -8.801 12.174 1.00 0.24 N HETATM 1359 CA SER A 30 22.876 -7.845 13.008 1.00 0.09 C HETATM 1360 C SER A 30 22.225 -7.650 14.373 1.00 0.23 C HETATM 1361 O SER A 30 21.055 -7.987 14.567 1.00 -0.39 O HETATM 1362 N SER A 30 23.002 -7.120 15.315 1.00 -0.26 N HETATM 1363 CA SER A 30 22.476 -6.650 16.594 1.00 0.12 C HETATM 1364 C SER A 30 21.936 -5.241 16.425 1.00 0.20 C HETATM 1365 O SER A 30 22.052 -4.655 15.348 1.00 -0.39 O HETATM 1366 N SER A 30 21.347 -4.687 17.480 1.00 -0.26 N HETATM 1367 CA SER A 30 20.777 -3.346 17.404 1.00 0.13 C HETATM 1368 C SER A 30 21.841 -2.287 17.116 1.00 0.20 C HETATM 1369 O SER A 30 23.003 -2.425 17.501 1.00 -0.39 O HETATM 1370 N SER A 30 21.408 -1.217 16.459 1.00 -0.27 N HETATM 1371 CA SER A 30 22.297 -0.188 15.953 1.00 0.12 C HETATM 1372 C SER A 30 22.393 -0.333 14.451 1.00 0.20 C HETATM 1373 O SER A 30 22.300 -1.443 13.924 1.00 -0.39 O HETATM 1374 N SER A 30 22.573 0.793 13.769 1.00 -0.26 N HETATM 1375 CA SER A 30 22.710 0.822 12.314 1.00 0.13 C HETATM 1376 CB SER A 30 21.810 1.925 11.761 1.00 -0.01 C HETATM 1377 CG SER A 30 20.384 1.839 12.307 1.00 -0.05 C HETATM 1378 CD SER A 30 19.425 2.695 11.484 1.00 -0.03 C HETATM 1379 CE SER A 30 18.071 2.852 12.173 1.00 0.03 C HETATM 1380 NZ SER A 30 17.193 3.789 11.482 1.00 -0.29 N HETATM 1381 CH SER A 30 16.059 4.255 12.025 1.00 0.17 C HETATM 1382 OH SER A 30 15.668 3.937 13.141 1.00 -0.40 O HETATM 1383 CH3 SER A 30 15.281 5.212 11.165 1.00 0.03 C HETATM 1384 H SER A 30 15.807 5.358 10.210 1.00 0.05 H HETATM 1385 H SER A 30 15.188 6.178 11.683 1.00 0.05 H HETATM 1386 H SER A 30 14.279 4.801 10.973 1.00 0.05 H HETATM 1387 H SER A 30 17.447 4.097 10.565 1.00 0.18 H HETATM 1388 H SER A 30 17.578 1.869 12.209 1.00 0.05 H HETATM 1389 H SER A 30 18.238 3.216 13.197 1.00 0.05 H HETATM 1390 H SER A 30 19.870 3.691 11.342 1.00 0.03 H HETATM 1391 H SER A 30 19.273 2.218 10.505 1.00 0.03 H HETATM 1392 H SER A 30 20.049 0.792 12.273 1.00 0.03 H HETATM 1393 H SER A 30 20.377 2.193 13.349 1.00 0.03 H HETATM 1394 H SER A 30 22.236 2.901 12.037 1.00 0.03 H HETATM 1395 H SER A 30 21.775 1.837 10.665 1.00 0.03 H HETATM 1396 C SER A 30 24.148 1.079 11.942 1.00 0.20 C HETATM 1397 O SER A 30 24.993 1.327 12.809 1.00 -0.39 O HETATM 1398 N SER A 30 24.442 1.009 10.645 1.00 -0.27 N HETATM 1399 CA SER A 30 25.782 1.314 10.125 1.00 0.11 C HETATM 1400 C SER A 30 26.854 0.274 10.428 1.00 0.21 C HETATM 1401 O SER A 30 26.650 -0.646 11.228 1.00 -0.41 O HETATM 1402 O1 SER A 30 27.971 0.354 9.851 1.00 -0.41 O HETATM 1403 H SER A 30 26.105 2.271 10.560 1.00 0.07 H HETATM 1404 H SER A 30 25.707 1.415 9.032 1.00 0.07 H HETATM 1405 H SER A 30 23.725 0.739 10.002 1.00 0.19 H HETATM 1406 H SER A 30 22.398 -0.147 11.897 1.00 0.08 H HETATM 1407 H SER A 30 22.616 1.656 14.272 1.00 0.19 H HETATM 1408 H SER A 30 23.294 -0.306 16.402 1.00 0.08 H HETATM 1409 H SER A 30 21.897 0.805 16.205 1.00 0.08 H HETATM 1410 H SER A 30 20.425 -1.116 16.306 1.00 0.19 H HETATM 1411 CB SER A 30 20.046 -2.992 18.687 1.00 -0.01 C HETATM 1412 CG SER A 30 18.749 -3.748 18.888 1.00 -0.02 C HETATM 1413 CD SER A 30 17.759 -2.885 19.646 1.00 0.06 C HETATM 1414 NE SER A 30 17.180 -3.557 20.803 1.00 -0.27 N HETATM 1415 CZ SER A 30 16.697 -2.931 21.876 1.00 0.29 C HETATM 1416 NH1 SER A 30 16.713 -1.602 21.963 1.00 -0.28 N HETATM 1417 H SER A 30 16.335 -1.136 22.800 1.00 0.26 H HETATM 1418 H SER A 30 17.103 -1.040 21.193 1.00 0.26 H HETATM 1419 NH2 SER A 30 16.196 -3.640 22.880 1.00 -0.28 N HETATM 1420 H SER A 30 16.178 -4.668 22.825 1.00 0.26 H HETATM 1421 H SER A 30 15.826 -3.162 23.714 1.00 0.26 H HETATM 1422 H SER A 30 17.142 -4.586 20.790 1.00 0.26 H HETATM 1423 H SER A 30 16.945 -2.603 18.962 1.00 0.07 H HETATM 1424 H SER A 30 18.278 -1.979 19.991 1.00 0.07 H HETATM 1425 H SER A 30 18.947 -4.665 19.462 1.00 0.03 H HETATM 1426 H SER A 30 18.326 -4.013 17.908 1.00 0.03 H HETATM 1427 H SER A 30 19.820 -1.916 18.670 1.00 0.03 H HETATM 1428 H SER A 30 20.710 -3.214 19.535 1.00 0.03 H HETATM 1429 H SER A 30 20.051 -3.335 16.578 1.00 0.08 H HETATM 1430 H SER A 30 21.294 -5.197 18.339 1.00 0.19 H HETATM 1431 H SER A 30 23.280 -6.648 17.344 1.00 0.08 H HETATM 1432 H SER A 30 21.667 -7.317 16.926 1.00 0.08 H HETATM 1433 H SER A 30 23.983 -7.041 15.140 1.00 0.19 H HETATM 1434 CB SER A 30 23.010 -6.491 12.296 1.00 0.10 C HETATM 1435 OG SER A 30 23.902 -6.566 11.193 1.00 -0.39 O HETATM 1436 H SER A 30 23.961 -5.714 10.777 1.00 0.21 H HETATM 1437 H SER A 30 23.390 -5.747 13.012 1.00 0.06 H HETATM 1438 H SER A 30 22.020 -6.179 11.933 1.00 0.06 H HETATM 1439 H SER A 30 23.883 -8.262 13.158 1.00 0.11 H HETATM 1440 H SER A 30 22.542 -8.913 11.279 1.00 0.20 H HETATM 1441 H SER A 30 21.160 -8.443 12.039 1.00 0.20 H HETATM 1442 H SER A 30 22.045 -9.694 12.640 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1358 1359 1440 1441 1442 CONECT 1359 1358 1360 1434 1439 CONECT 1360 1359 1361 1362 CONECT 1361 1360 CONECT 1362 1360 1363 1433 CONECT 1363 1362 1364 1431 1432 CONECT 1364 1363 1365 1366 CONECT 1365 1364 CONECT 1366 1364 1367 1430 CONECT 1367 1366 1368 1411 1429 CONECT 1368 1367 1369 1370 CONECT 1369 1368 CONECT 1370 1368 1371 1410 CONECT 1371 1370 1372 1408 1409 CONECT 1372 1371 1373 1374 CONECT 1373 1372 CONECT 1374 1372 1375 1407 CONECT 1375 1374 1376 1396 1406 CONECT 1376 1375 1377 1394 1395 CONECT 1377 1376 1378 1392 1393 CONECT 1378 1377 1379 1390 1391 CONECT 1379 1378 1380 1388 1389 CONECT 1380 1379 1381 1387 CONECT 1381 1380 1382 1383 CONECT 1382 1381 CONECT 1383 1381 1384 1385 1386 CONECT 1384 1383 CONECT 1385 1383 CONECT 1386 1383 CONECT 1387 1380 CONECT 1388 1379 CONECT 1389 1379 CONECT 1390 1378 CONECT 1391 1378 CONECT 1392 1377 CONECT 1393 1377 CONECT 1394 1376 CONECT 1395 1376 CONECT 1396 1375 1397 1398 CONECT 1397 1396 CONECT 1398 1396 1399 1405 CONECT 1399 1398 1400 1403 1404 CONECT 1400 1399 1401 1402 CONECT 1401 1400 CONECT 1402 1400 CONECT 1403 1399 CONECT 1404 1399 CONECT 1405 1398 CONECT 1406 1375 CONECT 1407 1374 CONECT 1408 1371 CONECT 1409 1371 CONECT 1410 1370 CONECT 1411 1367 1412 1427 1428 CONECT 1412 1411 1413 1425 1426 CONECT 1413 1412 1414 1423 1424 CONECT 1414 1413 1415 1422 CONECT 1415 1414 1416 1419 CONECT 1416 1415 1417 1418 CONECT 1417 1416 CONECT 1418 1416 CONECT 1419 1415 1420 1421 CONECT 1420 1419 CONECT 1421 1419 CONECT 1422 1414 CONECT 1423 1413 CONECT 1424 1413 CONECT 1425 1412 CONECT 1426 1412 CONECT 1427 1411 CONECT 1428 1411 CONECT 1429 1367 CONECT 1430 1366 CONECT 1431 1363 CONECT 1432 1363 CONECT 1433 1362 CONECT 1434 1359 1435 1437 1438 CONECT 1435 1434 1436 CONECT 1436 1435 CONECT 1437 1434 CONECT 1438 1434 CONECT 1439 1359 CONECT 1440 1358 CONECT 1441 1358 CONECT 1442 1358 MASTER 0 0 0 0 0 0 0 0 1441 1 89 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4tt2
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6s57
RCSB PDB
PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
RCSB PDB
PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
RCSB PDB
PDBbind
130aa, >6S55_1|Chain... at 100%
4qsu
RCSB PDB
PDBbind
130aa, >4QSU_1|Chain... *
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
4tte
RCSB PDB
PDBbind
130aa, >4TTE_1|Chain... at 100%
4tu4
RCSB PDB
PDBbind
130aa, >4TU4_1|Chain... at 100%
4tyl
RCSB PDB
PDBbind
130aa, >4TYL_1|Chain... at 100%
4tz2
RCSB PDB
PDBbind
130aa, >4TZ2_1|Chain... at 100%
4tz8
RCSB PDB
PDBbind
130aa, >4TZ8_1|Chain... at 100%
5a5o
RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
5a5r
RCSB PDB
PDBbind
130aa, >5A5R_1|Chain... at 100%
5a81
RCSB PDB
PDBbind
130aa, >5A81_1|Chain... at 100%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
5lj0
RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a7c
RCSB PDB
PDBbind
6-mer
1elr
RCSB PDB
PDBbind
6-mer
1gui
RCSB PDB
PDBbind
6-mer
1gvx
RCSB PDB
PDBbind
6-mer
1gwm
RCSB PDB
PDBbind
6-mer
1k9r
RCSB PDB
PDBbind
6-mer
1lyb
RCSB PDB
PDBbind
6-mer
1njt
RCSB PDB
PDBbind
6-mer
1okv
RCSB PDB
PDBbind
6-mer
1ol1
RCSB PDB
PDBbind
6-mer
1ol2
RCSB PDB
PDBbind
6-mer
1q4k
RCSB PDB
PDBbind
6-mer
1rhk
RCSB PDB
PDBbind
6-mer
1sld
RCSB PDB
PDBbind
6-mer
1sme
RCSB PDB
PDBbind
6-mer
1str
RCSB PDB
PDBbind
6-mer
1urc
RCSB PDB
PDBbind
6-mer
1xt3
RCSB PDB
PDBbind
6-mer
1ym2
RCSB PDB
PDBbind
6-mer
1zfp
RCSB PDB
PDBbind
6-mer
2h65
RCSB PDB
PDBbind
6-mer
2h6t
RCSB PDB
PDBbind
6-mer
2hob
RCSB PDB
PDBbind
6-mer
2itk
RCSB PDB
PDBbind
6-mer
2l65
RCSB PDB
PDBbind
6-mer
2oqs
RCSB PDB
PDBbind
6-mer
2q6f
RCSB PDB
PDBbind
6-mer
2qzx
RCSB PDB
PDBbind
6-mer
2r0z
RCSB PDB
PDBbind
6-mer
2w76
RCSB PDB
PDBbind
6-mer
2x6x
RCSB PDB
PDBbind
6-mer
3avz
RCSB PDB
PDBbind
6-mer
3aw0
RCSB PDB
PDBbind
6-mer
3bv9
RCSB PDB
PDBbind
6-mer
3dri
RCSB PDB
PDBbind
6-mer
3eys
RCSB PDB
PDBbind
6-mer
3fv3
RCSB PDB
PDBbind
6-mer
3fwv
RCSB PDB
PDBbind
6-mer
3h6z
RCSB PDB
PDBbind
6-mer
3hik
RCSB PDB
PDBbind
6-mer
3iqu
RCSB PDB
PDBbind
6-mer
3iqv
RCSB PDB
PDBbind
6-mer
3kd7
RCSB PDB
PDBbind
6-mer
3luo
RCSB PDB
PDBbind
6-mer
3nth
RCSB PDB
PDBbind
6-mer
3old
RCSB PDB
PDBbind
6-mer
3psl
RCSB PDB
PDBbind
6-mer
3q4j
RCSB PDB
PDBbind
6-mer
3q4k
RCSB PDB
PDBbind
6-mer
3q4l
RCSB PDB
PDBbind
6-mer
3r5j
RCSB PDB
PDBbind
6-mer
3r6g
RCSB PDB
PDBbind
6-mer
3rjm
RCSB PDB
PDBbind
6-mer
3sm1
RCSB PDB
PDBbind
6-mer
3sna
RCSB PDB
PDBbind
6-mer
3snb
RCSB PDB
PDBbind
6-mer
3snc
RCSB PDB
PDBbind
6-mer
3snd
RCSB PDB
PDBbind
6-mer
3u51
RCSB PDB
PDBbind
6-mer
3ux0
RCSB PDB
PDBbind
6-mer
3wqw
RCSB PDB
PDBbind
6-mer
3zmt
RCSB PDB
PDBbind
6-mer
3zmu
RCSB PDB
PDBbind
6-mer
3zmv
RCSB PDB
PDBbind
6-mer
3zmz
RCSB PDB
PDBbind
6-mer
3zn0
RCSB PDB
PDBbind
6-mer
3zn1
RCSB PDB
PDBbind
6-mer
4a0j
RCSB PDB
PDBbind
6-mer
4apo
RCSB PDB
PDBbind
6-mer
4b3b
RCSB PDB
PDBbind
6-mer
4b4q
RCSB PDB
PDBbind
6-mer
4b8y
RCSB PDB
PDBbind
6-mer
4c4n
RCSB PDB
PDBbind
6-mer
4dgb
RCSB PDB
PDBbind
6-mer
4er2
RCSB PDB
PDBbind
6-mer
4exh
RCSB PDB
PDBbind
6-mer
4fr3
RCSB PDB
PDBbind
6-mer
4fys
RCSB PDB
PDBbind
6-mer
4fz3
RCSB PDB
PDBbind
6-mer
4gye
RCSB PDB
PDBbind
6-mer
4gzf
RCSB PDB
PDBbind
6-mer
4ifi
RCSB PDB
PDBbind
6-mer
4ikn
RCSB PDB
PDBbind
6-mer
4j09
RCSB PDB
PDBbind
6-mer
4j77
RCSB PDB
PDBbind
6-mer
4j79
RCSB PDB
PDBbind
6-mer
4j86
RCSB PDB
PDBbind
6-mer
4j8b
RCSB PDB
PDBbind
6-mer
4jj7
RCSB PDB
PDBbind
6-mer
4jj8
RCSB PDB
PDBbind
6-mer
4jje
RCSB PDB
PDBbind
6-mer
4jr0
RCSB PDB
PDBbind
6-mer
4k3o
RCSB PDB
PDBbind
6-mer
4k3p
RCSB PDB
PDBbind
6-mer
4k3q
RCSB PDB
PDBbind
6-mer
4k3r
RCSB PDB
PDBbind
6-mer
4ny3
RCSB PDB
PDBbind
6-mer
4o9w
RCSB PDB
PDBbind
6-mer
4ou3
RCSB PDB
PDBbind
6-mer
4tsz
RCSB PDB
PDBbind
6-mer
4wk2
RCSB PDB
PDBbind
6-mer
4wvt
RCSB PDB
PDBbind
6-mer
4x9r
RCSB PDB
PDBbind
6-mer
4x9v
RCSB PDB
PDBbind
6-mer
4ynl
RCSB PDB
PDBbind
6-mer
5a2i
RCSB PDB
PDBbind
6-mer
5a2j
RCSB PDB
PDBbind
6-mer
5a2k
RCSB PDB
PDBbind
6-mer
5e1b
RCSB PDB
PDBbind
6-mer
5e1d
RCSB PDB
PDBbind
6-mer
5e1m
RCSB PDB
PDBbind
6-mer
5e1o
RCSB PDB
PDBbind
6-mer
5epk
RCSB PDB
PDBbind
6-mer
5epl
RCSB PDB
PDBbind
6-mer
5eq0
RCSB PDB
PDBbind
6-mer
5fot
RCSB PDB
PDBbind
6-mer
5fou
RCSB PDB
PDBbind
6-mer
5fov
RCSB PDB
PDBbind
6-mer
5fow
RCSB PDB
PDBbind
6-mer
5fox
RCSB PDB
PDBbind
6-mer
5fpk
RCSB PDB
PDBbind
6-mer
5gwz
RCSB PDB
PDBbind
6-mer
5hvp
RCSB PDB
PDBbind
6-mer
5izf
RCSB PDB
PDBbind
6-mer
5l7k
RCSB PDB
PDBbind
6-mer
5lrg
RCSB PDB
PDBbind
6-mer
5lrj
RCSB PDB
PDBbind
6-mer
5lrk
RCSB PDB
PDBbind
6-mer
5lso
RCSB PDB
PDBbind
6-mer
5tpc
RCSB PDB
PDBbind
6-mer
5w94
RCSB PDB
PDBbind
6-mer
5y24
RCSB PDB
PDBbind
6-mer
6apr
RCSB PDB
PDBbind
6-mer
6asz
RCSB PDB
PDBbind
6-mer
6at0
RCSB PDB
PDBbind
6-mer
6cdg
RCSB PDB
PDBbind
6-mer
6cgt
RCSB PDB
PDBbind
6-mer
6do4
RCSB PDB
PDBbind
6-mer
6do5
RCSB PDB
PDBbind
6-mer
6dub
RCSB PDB
PDBbind
6-mer
6eqx
RCSB PDB
PDBbind
6-mer
7hvp
RCSB PDB
PDBbind
6-mer
6rhe
RCSB PDB
PDBbind
6-mer
6nsx
RCSB PDB
PDBbind
6-mer
6nsv
RCSB PDB
PDBbind
6-mer
6jij
RCSB PDB
PDBbind
6-mer
6im4
RCSB PDB
PDBbind
6-mer
6hzd
RCSB PDB
PDBbind
6-mer
6hzc
RCSB PDB
PDBbind
6-mer
6hp5
RCSB PDB
PDBbind
6-mer
6hmy
RCSB PDB
PDBbind
6-mer
6hle
RCSB PDB
PDBbind
6-mer
6fvo
RCSB PDB
PDBbind
6-mer
6fvn
RCSB PDB
PDBbind
6-mer
6fvm
RCSB PDB
PDBbind
6-mer
6fvl
RCSB PDB
PDBbind
6-mer
6efk
RCSB PDB
PDBbind
6-mer
6a30
RCSB PDB
PDBbind
6-mer
5zw6
RCSB PDB
PDBbind
6-mer
5zvw
RCSB PDB
PDBbind
6-mer
Entry Information
PDB ID
4tt2
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ATPase family AAA domain-containing protein 2 ATAD2A bromodomain
Ligand Name
6-mer
EC.Number
E.C.3.6.1.3
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=22uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Biochem.J.Vol.466: pp.337-346
Ligand Properties
Formula
C
2
3
H
4
4
N
1
0
O
9
Molecular Weight
604.657
Exact Mass
604.329
No. of atoms
86
No. of bonds
85
Polar Surface Area
325.78
LOGP Value
-4.71 (
Computed with XLOGP3
)
-4.82 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 27
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 0
Canonical SMILES
OC[C@@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)O)CCCCNC(=O)C)CCC[NH+]=C(N)N)[NH3+]
InChI String
InChI=1S/C23H42N10O9/c1-13(35)27-7-3-2-5-15(22(42)31-11-19(38)39)32-18(37)10-30-21(41)16(6-4-8-28-23(25)26)33-17(36)9-29-20(40)14(24)12-34/h14-16,34H,2-12,24H2,1H3,(H,27,35)(H,29,40)(H,30,41)(H,31,42)(H,32,37)(H,33,36)(H,38,39)(H4,25,26,28)/p+2/t14-,15-,16-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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