Browse entries in the PDBbind-CN Database
HEADER 5A5Q_COMPLEX COMPND 5A5Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 130 SER MET GLN GLU GLU ASP THR PHE ARG GLU LEU ARG ILE SEQRES 2 A 130 PHE LEU ARG ASN VAL THR HIS ARG LEU ALA ILE ASP LYS SEQRES 3 A 130 ARG PHE ARG VAL PHE THR LYS PRO VAL ASP PRO ASP GLU SEQRES 4 A 130 VAL PRO ASP TYR VAL THR VAL ILE LYS GLN PRO MET ASP SEQRES 5 A 130 LEU SER SER VAL ILE SER LYS ILE ASP LEU HIS LYS TYR SEQRES 6 A 130 LEU THR VAL LYS ASP TYR LEU ARG ASP ILE ASP LEU ILE SEQRES 7 A 130 CYS SER ASN ALA LEU GLU TYR ASN PRO ASP ARG ASP PRO SEQRES 8 A 130 GLY ASP ARG LEU ILE ARG HIS ARG ALA CYS ALA LEU ARG SEQRES 9 A 130 ASP THR ALA TYR ALA ILE ILE LYS GLU GLU LEU ASP GLU SEQRES 10 A 130 ASP PHE GLU GLN LEU CYS GLU GLU ILE GLN GLU SER ARG HET UNN A 367 38 ATOM 1 N SER A 979 12.651 46.161 -3.359 1.00 48.52 N ATOM 2 CA SER A 979 13.106 46.288 -4.774 1.00 51.06 C ATOM 3 C SER A 979 11.939 46.602 -5.710 1.00 52.30 C ATOM 4 O SER A 979 10.776 46.531 -5.307 1.00 49.62 O ATOM 5 CB SER A 979 13.792 44.996 -5.228 1.00 51.06 C ATOM 6 OG SER A 979 12.852 43.948 -5.409 1.00 48.19 O ATOM 7 HG SER A 979 13.325 43.129 -5.702 1.00 0.00 H ATOM 8 HN3 SER A 979 11.954 45.392 -3.288 1.00 0.00 H ATOM 9 HN2 SER A 979 12.215 47.055 -3.055 1.00 0.00 H ATOM 10 HN1 SER A 979 13.468 45.948 -2.751 1.00 0.00 H ATOM 11 N MET A 980 12.267 46.943 -6.958 1.00 55.32 N ATOM 12 CA MET A 980 11.264 47.203 -8.002 1.00 55.90 C ATOM 13 C MET A 980 10.365 45.993 -8.233 1.00 50.15 C ATOM 14 O MET A 980 9.154 46.135 -8.395 1.00 48.73 O ATOM 15 CB MET A 980 11.948 47.586 -9.324 1.00 61.99 C ATOM 16 CG MET A 980 11.003 47.752 -10.512 1.00 67.48 C ATOM 17 SD MET A 980 11.832 48.215 -12.052 1.00 80.44 S ATOM 18 CE MET A 980 12.815 46.755 -12.390 1.00 75.94 C ATOM 19 H MET A 980 13.274 47.028 -7.203 1.00 0.00 H ATOM 20 N GLN A 981 10.967 44.807 -8.252 1.00 47.83 N ATOM 21 CA GLN A 981 10.230 43.568 -8.497 1.00 45.72 C ATOM 22 C GLN A 981 9.239 43.285 -7.367 1.00 39.51 C ATOM 23 O GLN A 981 8.135 42.804 -7.614 1.00 37.31 O ATOM 24 CB GLN A 981 11.185 42.378 -8.662 1.00 49.17 C ATOM 25 CG GLN A 981 11.932 42.336 -9.993 1.00 52.87 C ATOM 26 CD GLN A 981 13.067 43.344 -10.094 1.00 58.52 C ATOM 27 OE1 GLN A 981 13.257 43.974 -11.136 1.00 63.78 O ATOM 28 NE2 GLN A 981 13.831 43.499 -9.014 1.00 58.93 N ATOM 29 HE22 GLN A 981 13.635 42.947 -8.155 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.623 44.172 -9.030 1.00 0.00 H ATOM 31 H GLN A 981 11.993 44.759 -8.088 1.00 0.00 H ATOM 32 N GLU A 982 9.638 43.585 -6.132 1.00 35.76 N ATOM 33 CA GLU A 982 8.762 43.383 -4.976 1.00 33.61 C ATOM 34 C GLU A 982 7.624 44.403 -4.951 1.00 30.58 C ATOM 35 O GLU A 982 6.490 44.054 -4.642 1.00 27.06 O ATOM 36 CB GLU A 982 9.570 43.422 -3.675 1.00 34.61 C ATOM 37 CG GLU A 982 10.570 42.275 -3.589 1.00 35.83 C ATOM 38 CD GLU A 982 11.469 42.331 -2.368 1.00 37.47 C ATOM 39 OE1 GLU A 982 11.474 43.362 -1.657 1.00 38.05 O ATOM 40 OE2 GLU A 982 12.172 41.328 -2.125 1.00 36.76 O ATOM 41 H GLU A 982 10.592 43.971 -5.986 1.00 0.00 H ATOM 42 N GLU A 983 7.929 45.657 -5.280 1.00 31.44 N ATOM 43 CA GLU A 983 6.895 46.690 -5.420 1.00 31.73 C ATOM 44 C GLU A 983 5.854 46.302 -6.480 1.00 27.68 C ATOM 45 O GLU A 983 4.653 46.494 -6.275 1.00 26.60 O ATOM 46 CB GLU A 983 7.525 48.046 -5.759 1.00 36.41 C ATOM 47 CG GLU A 983 8.293 48.663 -4.599 1.00 41.99 C ATOM 48 CD GLU A 983 9.249 49.765 -5.023 1.00 47.41 C ATOM 49 OE1 GLU A 983 8.993 50.438 -6.048 1.00 50.63 O ATOM 50 OE2 GLU A 983 10.262 49.963 -4.318 1.00 51.00 O ATOM 51 H GLU A 983 8.924 45.911 -5.442 1.00 0.00 H ATOM 52 N ASP A 984 6.319 45.747 -7.598 1.00 25.52 N ATOM 53 CA ASP A 984 5.430 45.241 -8.644 1.00 24.97 C ATOM 54 C ASP A 984 4.571 44.086 -8.116 1.00 22.67 C ATOM 55 O ASP A 984 3.389 43.987 -8.441 1.00 20.36 O ATOM 56 CB ASP A 984 6.222 44.760 -9.865 1.00 26.48 C ATOM 57 CG ASP A 984 6.858 45.901 -10.659 1.00 28.16 C ATOM 58 OD1 ASP A 984 6.537 47.081 -10.426 1.00 29.15 O ATOM 59 OD2 ASP A 984 7.691 45.603 -11.530 1.00 30.74 O ATOM 60 H ASP A 984 7.348 45.671 -7.732 1.00 0.00 H ATOM 61 N THR A 985 5.170 43.218 -7.301 1.00 21.73 N ATOM 62 CA THR A 985 4.434 42.102 -6.719 1.00 20.74 C ATOM 63 C THR A 985 3.293 42.609 -5.838 1.00 20.00 C ATOM 64 O THR A 985 2.156 42.176 -5.989 1.00 18.16 O ATOM 65 CB THR A 985 5.345 41.157 -5.913 1.00 20.96 C ATOM 66 OG1 THR A 985 6.353 40.617 -6.776 1.00 21.68 O ATOM 67 CG2 THR A 985 4.534 40.017 -5.306 1.00 20.23 C ATOM 68 HG1 THR A 985 5.921 40.114 -7.511 1.00 0.00 H ATOM 69 H THR A 985 6.178 43.339 -7.077 1.00 0.00 H ATOM 70 N PHE A 986 3.596 43.539 -4.935 1.00 20.56 N ATOM 71 CA PHE A 986 2.567 44.085 -4.065 1.00 21.34 C ATOM 72 C PHE A 986 1.512 44.893 -4.824 1.00 20.66 C ATOM 73 O PHE A 986 0.354 44.907 -4.418 1.00 19.48 O ATOM 74 CB PHE A 986 3.174 44.911 -2.931 1.00 22.73 C ATOM 75 CG PHE A 986 3.937 44.088 -1.927 1.00 24.10 C ATOM 76 CD1 PHE A 986 3.378 42.939 -1.374 1.00 24.29 C ATOM 77 CD2 PHE A 986 5.208 44.466 -1.526 1.00 25.72 C ATOM 78 CE1 PHE A 986 4.079 42.184 -0.448 1.00 25.59 C ATOM 79 CE2 PHE A 986 5.910 43.716 -0.595 1.00 26.97 C ATOM 80 CZ PHE A 986 5.346 42.574 -0.057 1.00 26.15 C ATOM 81 H PHE A 986 4.576 43.877 -4.851 1.00 0.00 H ATOM 82 N ARG A 987 1.900 45.551 -5.915 1.00 21.14 N ATOM 83 CA ARG A 987 0.937 46.293 -6.723 1.00 21.31 C ATOM 84 C ARG A 987 -0.055 45.333 -7.372 1.00 20.39 C ATOM 85 O ARG A 987 -1.262 45.604 -7.397 1.00 19.68 O ATOM 86 CB ARG A 987 1.632 47.143 -7.786 1.00 23.01 C ATOM 87 CG ARG A 987 0.720 48.196 -8.391 1.00 23.88 C ATOM 88 CD ARG A 987 1.486 49.253 -9.164 1.00 24.96 C ATOM 89 NE ARG A 987 0.622 50.367 -9.543 1.00 25.63 N ATOM 90 CZ ARG A 987 -0.070 50.430 -10.678 1.00 25.83 C ATOM 91 NH1 ARG A 987 0.003 49.446 -11.563 1.00 25.53 N ATOM 92 NH2 ARG A 987 -0.828 51.487 -10.930 1.00 26.00 N ATOM 93 HE ARG A 987 0.542 51.165 -8.881 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.540 49.501 -12.448 1.00 0.00 H ATOM 95 HH11 ARG A 987 0.604 48.619 -11.372 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.370 51.539 -11.816 1.00 0.00 H ATOM 97 HH21 ARG A 987 -0.881 52.265 -10.242 1.00 0.00 H ATOM 98 H ARG A 987 2.902 45.536 -6.195 1.00 0.00 H ATOM 99 N GLU A 988 0.448 44.206 -7.881 1.00 18.73 N ATOM 100 CA GLU A 988 -0.427 43.184 -8.469 1.00 17.90 C ATOM 101 C GLU A 988 -1.392 42.619 -7.418 1.00 16.77 C ATOM 102 O GLU A 988 -2.574 42.414 -7.701 1.00 15.41 O ATOM 103 CB GLU A 988 0.374 42.058 -9.141 1.00 18.40 C ATOM 104 CG GLU A 988 -0.503 40.889 -9.595 1.00 18.36 C ATOM 105 CD GLU A 988 0.137 39.999 -10.645 1.00 19.09 C ATOM 106 OE1 GLU A 988 1.296 40.247 -11.058 1.00 18.95 O ATOM 107 OE2 GLU A 988 -0.538 39.040 -11.064 1.00 18.36 O ATOM 108 H GLU A 988 1.476 44.049 -7.861 1.00 0.00 H ATOM 109 N LEU A 989 -0.884 42.378 -6.208 1.00 16.26 N ATOM 110 CA LEU A 989 -1.723 41.951 -5.103 1.00 15.60 C ATOM 111 C LEU A 989 -2.874 42.928 -4.870 1.00 15.19 C ATOM 112 O LEU A 989 -4.021 42.512 -4.745 1.00 14.48 O ATOM 113 CB LEU A 989 -0.905 41.787 -3.816 1.00 16.03 C ATOM 114 CG LEU A 989 -1.698 41.430 -2.552 1.00 16.16 C ATOM 115 CD1 LEU A 989 -2.365 40.067 -2.678 1.00 15.67 C ATOM 116 CD2 LEU A 989 -0.806 41.475 -1.321 1.00 16.31 C ATOM 117 H LEU A 989 0.137 42.499 -6.053 1.00 0.00 H ATOM 118 N ARG A 990 -2.566 44.220 -4.827 1.00 15.44 N ATOM 119 CA ARG A 990 -3.591 45.234 -4.563 1.00 15.45 C ATOM 120 C ARG A 990 -4.640 45.261 -5.666 1.00 15.04 C ATOM 121 O ARG A 990 -5.830 45.352 -5.384 1.00 14.75 O ATOM 122 CB ARG A 990 -2.958 46.618 -4.378 1.00 15.94 C ATOM 123 CG ARG A 990 -2.112 46.740 -3.120 1.00 16.24 C ATOM 124 CD ARG A 990 -1.780 48.194 -2.805 1.00 17.02 C ATOM 125 NE ARG A 990 -0.950 48.827 -3.838 1.00 17.45 N ATOM 126 CZ ARG A 990 0.381 48.771 -3.900 1.00 17.88 C ATOM 127 NH1 ARG A 990 1.085 48.090 -3.000 1.00 18.12 N ATOM 128 NH2 ARG A 990 1.019 49.403 -4.884 1.00 18.53 N ATOM 129 HE ARG A 990 -1.440 49.363 -4.582 1.00 0.00 H ATOM 130 HH12 ARG A 990 2.122 48.059 -3.066 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.598 47.589 -2.230 1.00 0.00 H ATOM 132 HH22 ARG A 990 2.057 49.365 -4.940 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.479 49.935 -5.596 1.00 0.00 H ATOM 134 H ARG A 990 -1.581 44.517 -4.983 1.00 0.00 H ATOM 135 N ILE A 991 -4.196 45.146 -6.916 1.00 15.29 N ATOM 136 CA ILE A 991 -5.103 45.090 -8.066 1.00 15.35 C ATOM 137 C ILE A 991 -6.039 43.882 -7.941 1.00 14.92 C ATOM 138 O ILE A 991 -7.256 44.008 -8.081 1.00 14.98 O ATOM 139 CB ILE A 991 -4.321 45.041 -9.400 1.00 16.20 C ATOM 140 CG1 ILE A 991 -3.634 46.387 -9.660 1.00 17.81 C ATOM 141 CG2 ILE A 991 -5.239 44.705 -10.564 1.00 16.13 C ATOM 142 CD1 ILE A 991 -2.539 46.339 -10.706 1.00 17.56 C ATOM 143 H ILE A 991 -3.171 45.094 -7.082 1.00 0.00 H ATOM 144 N PHE A 992 -5.464 42.724 -7.652 1.00 14.68 N ATOM 145 CA PHE A 992 -6.229 41.503 -7.452 1.00 14.82 C ATOM 146 C PHE A 992 -7.263 41.656 -6.320 1.00 14.32 C ATOM 147 O PHE A 992 -8.439 41.320 -6.499 1.00 14.00 O ATOM 148 CB PHE A 992 -5.271 40.336 -7.172 1.00 15.51 C ATOM 149 CG PHE A 992 -5.961 39.063 -6.790 1.00 16.00 C ATOM 150 CD1 PHE A 992 -6.669 38.325 -7.735 1.00 16.72 C ATOM 151 CD2 PHE A 992 -5.916 38.603 -5.485 1.00 16.45 C ATOM 152 CE1 PHE A 992 -7.316 37.153 -7.375 1.00 16.44 C ATOM 153 CE2 PHE A 992 -6.563 37.432 -5.125 1.00 16.75 C ATOM 154 CZ PHE A 992 -7.258 36.706 -6.072 1.00 16.54 C ATOM 155 H PHE A 992 -4.428 42.687 -7.565 1.00 0.00 H ATOM 156 N LEU A 993 -6.832 42.192 -5.179 1.00 14.07 N ATOM 157 CA LEU A 993 -7.718 42.350 -4.020 1.00 14.31 C ATOM 158 C LEU A 993 -8.833 43.366 -4.265 1.00 14.51 C ATOM 159 O LEU A 993 -9.964 43.135 -3.842 1.00 14.07 O ATOM 160 CB LEU A 993 -6.933 42.710 -2.753 1.00 14.42 C ATOM 161 CG LEU A 993 -5.956 41.638 -2.247 1.00 14.67 C ATOM 162 CD1 LEU A 993 -5.234 42.104 -0.987 1.00 15.08 C ATOM 163 CD2 LEU A 993 -6.652 40.310 -2.001 1.00 14.06 C ATOM 164 H LEU A 993 -5.843 42.506 -5.108 1.00 0.00 H ATOM 165 N ARG A 994 -8.531 44.474 -4.948 1.00 14.94 N ATOM 166 CA ARG A 994 -9.583 45.432 -5.331 1.00 15.79 C ATOM 167 C ARG A 994 -10.637 44.774 -6.212 1.00 15.81 C ATOM 168 O ARG A 994 -11.826 45.015 -6.050 1.00 15.90 O ATOM 169 CB ARG A 994 -9.022 46.641 -6.084 1.00 16.79 C ATOM 170 CG ARG A 994 -8.360 47.669 -5.200 1.00 17.63 C ATOM 171 CD ARG A 994 -7.967 48.922 -5.961 1.00 18.41 C ATOM 172 NE ARG A 994 -6.816 49.527 -5.304 1.00 19.09 N ATOM 173 CZ ARG A 994 -5.549 49.417 -5.688 1.00 19.65 C ATOM 174 NH1 ARG A 994 -5.208 48.755 -6.789 1.00 19.45 N ATOM 175 NH2 ARG A 994 -4.605 50.006 -4.960 1.00 21.07 N ATOM 176 HE ARG A 994 -7.004 50.098 -4.455 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.208 48.685 -7.065 1.00 0.00 H ATOM 178 HH11 ARG A 994 -5.941 48.307 -7.374 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.607 49.932 -5.244 1.00 0.00 H ATOM 180 HH21 ARG A 994 -4.864 50.541 -4.107 1.00 0.00 H ATOM 181 H ARG A 994 -7.543 44.662 -5.212 1.00 0.00 H ATOM 182 N ASN A 995 -10.197 43.954 -7.160 1.00 16.26 N ATOM 183 CA ASN A 995 -11.124 43.291 -8.054 1.00 16.67 C ATOM 184 C ASN A 995 -12.019 42.305 -7.312 1.00 15.80 C ATOM 185 O ASN A 995 -13.238 42.342 -7.471 1.00 16.03 O ATOM 186 CB ASN A 995 -10.393 42.591 -9.191 1.00 18.01 C ATOM 187 CG ASN A 995 -11.333 41.793 -10.053 1.00 19.85 C ATOM 188 OD1 ASN A 995 -11.450 40.589 -9.899 1.00 19.22 O ATOM 189 ND2 ASN A 995 -12.053 42.480 -10.947 1.00 21.75 N ATOM 190 HD22 ASN A 995 -11.919 43.507 -11.044 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.746 41.987 -11.545 1.00 0.00 H ATOM 192 H ASN A 995 -9.176 43.786 -7.261 1.00 0.00 H ATOM 193 N VAL A 996 -11.426 41.435 -6.494 1.00 14.97 N ATOM 194 CA VAL A 996 -12.220 40.524 -5.652 1.00 14.55 C ATOM 195 C VAL A 996 -13.208 41.306 -4.777 1.00 14.61 C ATOM 196 O VAL A 996 -14.389 40.952 -4.691 1.00 14.46 O ATOM 197 CB VAL A 996 -11.337 39.633 -4.745 1.00 14.19 C ATOM 198 CG1 VAL A 996 -12.201 38.802 -3.798 1.00 14.20 C ATOM 199 CG2 VAL A 996 -10.436 38.731 -5.583 1.00 14.03 C ATOM 200 H VAL A 996 -10.388 41.399 -6.450 1.00 0.00 H ATOM 201 N THR A 997 -12.730 42.380 -4.153 1.00 15.07 N ATOM 202 CA THR A 997 -13.562 43.164 -3.234 1.00 15.41 C ATOM 203 C THR A 997 -14.732 43.836 -3.962 1.00 16.47 C ATOM 204 O THR A 997 -15.844 43.854 -3.445 1.00 16.46 O ATOM 205 CB THR A 997 -12.725 44.199 -2.451 1.00 15.30 C ATOM 206 OG1 THR A 997 -11.603 43.546 -1.844 1.00 14.94 O ATOM 207 CG2 THR A 997 -13.561 44.867 -1.364 1.00 15.60 C ATOM 208 HG1 THR A 997 -11.043 43.133 -2.548 1.00 0.00 H ATOM 209 H THR A 997 -11.745 42.670 -4.321 1.00 0.00 H ATOM 210 N HIS A 998 -14.489 44.360 -5.165 1.00 18.11 N ATOM 211 CA HIS A 998 -15.558 44.958 -5.977 1.00 19.61 C ATOM 212 C HIS A 998 -16.639 43.960 -6.313 1.00 18.84 C ATOM 213 O HIS A 998 -17.833 44.269 -6.245 1.00 18.80 O ATOM 214 CB HIS A 998 -14.990 45.563 -7.267 1.00 22.45 C ATOM 215 CG HIS A 998 -16.044 46.162 -8.175 1.00 25.27 C ATOM 216 ND1 HIS A 998 -16.688 47.309 -7.880 1.00 26.48 N ATOM 217 CD2 HIS A 998 -16.569 45.720 -9.393 1.00 27.62 C ATOM 218 CE1 HIS A 998 -17.574 47.595 -8.857 1.00 27.58 C ATOM 219 NE2 HIS A 998 -17.501 46.624 -9.784 1.00 27.89 N ATOM 220 H HIS A 998 -13.518 44.345 -5.537 1.00 0.00 H ATOM 221 N ARG A 999 -16.239 42.748 -6.677 1.00 17.77 N ATOM 222 CA ARG A 999 -17.204 41.705 -7.024 1.00 17.50 C ATOM 223 C ARG A 999 -18.069 41.270 -5.828 1.00 17.30 C ATOM 224 O ARG A 999 -19.230 40.895 -6.000 1.00 18.24 O ATOM 225 CB ARG A 999 -16.483 40.511 -7.650 1.00 17.59 C ATOM 226 CG ARG A 999 -16.003 40.816 -9.059 1.00 18.43 C ATOM 227 CD ARG A 999 -14.757 40.039 -9.427 1.00 18.11 C ATOM 228 NE ARG A 999 -15.042 38.620 -9.581 1.00 17.94 N ATOM 229 CZ ARG A 999 -14.112 37.679 -9.713 1.00 17.53 C ATOM 230 NH1 ARG A 999 -12.822 38.001 -9.719 1.00 17.38 N ATOM 231 NH2 ARG A 999 -14.483 36.412 -9.854 1.00 17.56 N ATOM 232 HE ARG A 999 -16.039 38.323 -9.588 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.101 37.259 -9.823 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.534 38.995 -9.620 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.764 35.668 -9.958 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.493 36.163 -9.860 1.00 0.00 H ATOM 237 H ARG A 999 -15.222 42.536 -6.716 1.00 0.00 H ATOM 238 N LEU A1000 -17.513 41.319 -4.622 1.00 16.62 N ATOM 239 CA LEU A1000 -18.307 41.068 -3.415 1.00 16.74 C ATOM 240 C LEU A1000 -19.235 42.251 -3.142 1.00 17.32 C ATOM 241 O LEU A1000 -20.417 42.070 -2.841 1.00 17.66 O ATOM 242 CB LEU A1000 -17.403 40.824 -2.202 1.00 15.99 C ATOM 243 CG LEU A1000 -16.422 39.658 -2.311 1.00 15.72 C ATOM 244 CD1 LEU A1000 -15.434 39.691 -1.149 1.00 16.01 C ATOM 245 CD2 LEU A1000 -17.147 38.328 -2.381 1.00 15.80 C ATOM 246 H LEU A1000 -16.500 41.538 -4.533 1.00 0.00 H ATOM 247 N ALA A1001 -18.696 43.457 -3.280 1.00 17.53 N ATOM 248 CA ALA A1001 -19.414 44.683 -2.943 1.00 18.76 C ATOM 249 C ALA A1001 -20.650 44.953 -3.803 1.00 20.26 C ATOM 250 O ALA A1001 -21.584 45.582 -3.326 1.00 20.83 O ATOM 251 CB ALA A1001 -18.471 45.880 -2.999 1.00 18.84 C ATOM 252 H ALA A1001 -17.724 43.531 -3.642 1.00 0.00 H ATOM 253 N ILE A1002 -20.644 44.506 -5.060 1.00 21.73 N ATOM 254 CA ILE A1002 -21.786 44.718 -5.955 1.00 23.76 C ATOM 255 C ILE A1002 -22.833 43.604 -5.867 1.00 24.43 C ATOM 256 O ILE A1002 -23.906 43.718 -6.452 1.00 25.79 O ATOM 257 CB ILE A1002 -21.357 44.900 -7.430 1.00 24.30 C ATOM 258 CG1 ILE A1002 -20.816 43.591 -8.025 1.00 24.58 C ATOM 259 CG2 ILE A1002 -20.331 46.016 -7.545 1.00 25.33 C ATOM 260 CD1 ILE A1002 -20.241 43.745 -9.420 1.00 25.74 C ATOM 261 H ILE A1002 -19.810 43.995 -5.413 1.00 0.00 H ATOM 262 N ASP A1003 -22.529 42.530 -5.145 1.00 23.49 N ATOM 263 CA ASP A1003 -23.490 41.449 -4.953 1.00 23.51 C ATOM 264 C ASP A1003 -24.565 41.924 -3.975 1.00 24.07 C ATOM 265 O ASP A1003 -24.251 42.324 -2.852 1.00 22.50 O ATOM 266 CB ASP A1003 -22.773 40.207 -4.423 1.00 23.63 C ATOM 267 CG ASP A1003 -23.644 38.966 -4.442 1.00 23.90 C ATOM 268 OD1 ASP A1003 -24.802 39.030 -3.985 1.00 24.04 O ATOM 269 OD2 ASP A1003 -23.152 37.913 -4.896 1.00 24.18 O ATOM 270 H ASP A1003 -21.588 42.459 -4.708 1.00 0.00 H ATOM 271 N LYS A1004 -25.829 41.875 -4.404 1.00 24.90 N ATOM 272 CA LYS A1004 -26.951 42.383 -3.598 1.00 26.71 C ATOM 273 C LYS A1004 -27.043 41.764 -2.204 1.00 24.37 C ATOM 274 O LYS A1004 -27.454 42.427 -1.260 1.00 23.39 O ATOM 275 CB LYS A1004 -28.287 42.165 -4.322 1.00 29.93 C ATOM 276 CG LYS A1004 -28.502 43.060 -5.528 1.00 34.04 C ATOM 277 CD LYS A1004 -29.893 42.852 -6.115 1.00 36.84 C ATOM 278 CE LYS A1004 -30.095 43.646 -7.395 1.00 39.29 C ATOM 279 NZ LYS A1004 -31.432 43.367 -7.996 1.00 41.50 N ATOM 280 HZ1 LYS A1004 -31.506 42.354 -8.218 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -32.177 43.631 -7.320 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.541 43.923 -8.868 1.00 0.00 H ATOM 283 H LYS A1004 -26.027 41.464 -5.339 1.00 0.00 H ATOM 284 N ARG A1005 -26.660 40.497 -2.078 1.00 23.41 N ATOM 285 CA ARG A1005 -26.711 39.808 -0.791 1.00 23.14 C ATOM 286 C ARG A1005 -25.831 40.457 0.268 1.00 22.23 C ATOM 287 O ARG A1005 -26.108 40.321 1.459 1.00 22.11 O ATOM 288 CB ARG A1005 -26.263 38.358 -0.940 1.00 23.77 C ATOM 289 CG ARG A1005 -27.207 37.484 -1.746 1.00 24.52 C ATOM 290 CD ARG A1005 -26.601 36.111 -1.955 1.00 24.71 C ATOM 291 NE ARG A1005 -25.376 36.178 -2.745 1.00 24.78 N ATOM 292 CZ ARG A1005 -24.571 35.142 -2.977 1.00 25.49 C ATOM 293 NH1 ARG A1005 -24.856 33.938 -2.482 1.00 26.18 N ATOM 294 NH2 ARG A1005 -23.479 35.308 -3.717 1.00 25.13 N ATOM 295 HE ARG A1005 -25.113 37.097 -3.155 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.221 33.135 -2.669 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.713 33.801 -1.909 1.00 0.00 H ATOM 298 HH22 ARG A1005 -22.848 34.502 -3.901 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.256 36.244 -4.112 1.00 0.00 H ATOM 300 H ARG A1005 -26.316 39.985 -2.915 1.00 0.00 H ATOM 301 N PHE A1006 -24.776 41.147 -0.167 1.00 21.20 N ATOM 302 CA PHE A1006 -23.743 41.660 0.740 1.00 20.82 C ATOM 303 C PHE A1006 -23.806 43.170 0.984 1.00 21.93 C ATOM 304 O PHE A1006 -22.888 43.746 1.580 1.00 21.98 O ATOM 305 CB PHE A1006 -22.361 41.258 0.215 1.00 19.37 C ATOM 306 CG PHE A1006 -22.241 39.793 -0.128 1.00 18.78 C ATOM 307 CD1 PHE A1006 -22.891 38.823 0.631 1.00 18.46 C ATOM 308 CD2 PHE A1006 -21.459 39.380 -1.200 1.00 18.18 C ATOM 309 CE1 PHE A1006 -22.776 37.483 0.314 1.00 18.55 C ATOM 310 CE2 PHE A1006 -21.336 38.041 -1.515 1.00 18.24 C ATOM 311 CZ PHE A1006 -21.997 37.088 -0.757 1.00 18.69 C ATOM 312 H PHE A1006 -24.682 41.328 -1.187 1.00 0.00 H ATOM 313 N ARG A1007 -24.898 43.802 0.561 1.00 23.25 N ATOM 314 CA ARG A1007 -25.095 45.238 0.770 1.00 24.87 C ATOM 315 C ARG A1007 -24.874 45.628 2.227 1.00 23.70 C ATOM 316 O ARG A1007 -24.216 46.628 2.505 1.00 23.84 O ATOM 317 CB ARG A1007 -26.502 45.660 0.333 1.00 29.12 C ATOM 318 CG ARG A1007 -26.756 47.160 0.373 1.00 33.14 C ATOM 319 CD ARG A1007 -28.140 47.496 -0.165 1.00 38.92 C ATOM 320 NE ARG A1007 -28.277 48.914 -0.508 1.00 43.90 N ATOM 321 CZ ARG A1007 -27.785 49.484 -1.610 1.00 47.57 C ATOM 322 NH1 ARG A1007 -27.096 48.773 -2.502 1.00 48.68 N ATOM 323 NH2 ARG A1007 -27.975 50.782 -1.823 1.00 50.09 N ATOM 324 HE ARG A1007 -28.797 49.522 0.157 1.00 0.00 H ATOM 325 HH12 ARG A1007 -26.720 49.233 -3.355 1.00 0.00 H ATOM 326 HH11 ARG A1007 -26.935 47.758 -2.345 1.00 0.00 H ATOM 327 HH22 ARG A1007 -27.593 51.230 -2.681 1.00 0.00 H ATOM 328 HH21 ARG A1007 -28.506 51.350 -1.132 1.00 0.00 H ATOM 329 H ARG A1007 -25.635 43.259 0.067 1.00 0.00 H ATOM 330 N VAL A1008 -25.411 44.820 3.143 1.00 22.77 N ATOM 331 CA VAL A1008 -25.274 45.052 4.583 1.00 23.39 C ATOM 332 C VAL A1008 -23.805 45.120 5.049 1.00 22.44 C ATOM 333 O VAL A1008 -23.512 45.724 6.077 1.00 23.29 O ATOM 334 CB VAL A1008 -26.058 43.982 5.396 1.00 24.24 C ATOM 335 CG1 VAL A1008 -25.436 42.600 5.241 1.00 23.41 C ATOM 336 CG2 VAL A1008 -26.154 44.368 6.862 1.00 25.47 C ATOM 337 H VAL A1008 -25.950 43.991 2.821 1.00 0.00 H ATOM 338 N PHE A1009 -22.888 44.530 4.283 1.00 21.23 N ATOM 339 CA PHE A1009 -21.459 44.542 4.636 1.00 20.70 C ATOM 340 C PHE A1009 -20.626 45.576 3.860 1.00 20.87 C ATOM 341 O PHE A1009 -19.404 45.614 4.000 1.00 19.79 O ATOM 342 CB PHE A1009 -20.862 43.146 4.436 1.00 19.80 C ATOM 343 CG PHE A1009 -21.671 42.042 5.063 1.00 19.61 C ATOM 344 CD1 PHE A1009 -21.876 42.004 6.435 1.00 20.04 C ATOM 345 CD2 PHE A1009 -22.222 41.036 4.280 1.00 19.76 C ATOM 346 CE1 PHE A1009 -22.620 40.990 7.015 1.00 20.41 C ATOM 347 CE2 PHE A1009 -22.964 40.016 4.854 1.00 20.21 C ATOM 348 CZ PHE A1009 -23.167 39.994 6.221 1.00 20.25 C ATOM 349 H PHE A1009 -23.190 44.048 3.412 1.00 0.00 H ATOM 350 N THR A1010 -21.272 46.421 3.059 1.00 22.07 N ATOM 351 CA THR A1010 -20.536 47.363 2.210 1.00 22.94 C ATOM 352 C THR A1010 -20.077 48.627 2.933 1.00 25.32 C ATOM 353 O THR A1010 -19.100 49.243 2.522 1.00 26.36 O ATOM 354 CB THR A1010 -21.337 47.757 0.957 1.00 23.26 C ATOM 355 OG1 THR A1010 -22.588 48.351 1.334 1.00 24.28 O ATOM 356 CG2 THR A1010 -21.582 46.532 0.089 1.00 21.62 C ATOM 357 HG1 THR A1010 -23.114 47.701 1.864 1.00 0.00 H ATOM 358 H THR A1010 -22.312 46.413 3.035 1.00 0.00 H ATOM 359 N LYS A1011 -20.771 49.015 4.000 1.00 27.17 N ATOM 360 CA LYS A1011 -20.424 50.232 4.738 1.00 29.85 C ATOM 361 C LYS A1011 -20.399 49.957 6.238 1.00 30.28 C ATOM 362 O LYS A1011 -21.002 48.982 6.697 1.00 28.30 O ATOM 363 CB LYS A1011 -21.434 51.349 4.441 1.00 31.92 C ATOM 364 CG LYS A1011 -21.512 51.771 2.979 1.00 33.70 C ATOM 365 CD LYS A1011 -20.277 52.545 2.538 1.00 35.68 C ATOM 366 CE LYS A1011 -20.153 52.603 1.020 1.00 36.62 C ATOM 367 NZ LYS A1011 -18.841 53.173 0.593 1.00 37.15 N ATOM 368 HZ1 LYS A1011 -18.746 54.139 0.966 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -18.070 52.580 0.962 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -18.796 53.196 -0.446 1.00 0.00 H ATOM 371 H LYS A1011 -21.578 48.441 4.317 1.00 0.00 H ATOM 372 N PRO A1012 -19.705 50.818 7.009 1.00 32.31 N ATOM 373 CA PRO A1012 -19.748 50.700 8.464 1.00 35.54 C ATOM 374 C PRO A1012 -21.179 50.746 8.986 1.00 37.80 C ATOM 375 O PRO A1012 -22.034 51.399 8.389 1.00 37.79 O ATOM 376 CB PRO A1012 -18.969 51.932 8.948 1.00 35.82 C ATOM 377 CG PRO A1012 -18.069 52.284 7.818 1.00 35.47 C ATOM 378 CD PRO A1012 -18.813 51.907 6.570 1.00 33.79 C ATOM 379 N VAL A1013 -21.431 50.045 10.085 1.00 42.33 N ATOM 380 CA VAL A1013 -22.755 50.033 10.699 1.00 45.39 C ATOM 381 C VAL A1013 -23.109 51.442 11.178 1.00 48.45 C ATOM 382 O VAL A1013 -22.290 52.110 11.807 1.00 48.46 O ATOM 383 CB VAL A1013 -22.821 49.056 11.891 1.00 45.59 C ATOM 384 CG1 VAL A1013 -24.178 49.134 12.567 1.00 46.57 C ATOM 385 CG2 VAL A1013 -22.537 47.632 11.434 1.00 44.15 C ATOM 386 H VAL A1013 -20.666 49.491 10.519 1.00 0.00 H ATOM 387 N ASP A1014 -24.327 51.882 10.870 1.00 54.62 N ATOM 388 CA ASP A1014 -24.788 53.227 11.215 1.00 61.33 C ATOM 389 C ASP A1014 -24.998 53.360 12.730 1.00 64.66 C ATOM 390 O ASP A1014 -25.811 52.630 13.302 1.00 64.48 O ATOM 391 CB ASP A1014 -26.095 53.532 10.471 1.00 64.37 C ATOM 392 CG ASP A1014 -26.562 54.970 10.652 1.00 67.36 C ATOM 393 OD1 ASP A1014 -25.712 55.870 10.833 1.00 67.49 O ATOM 394 OD2 ASP A1014 -27.790 55.196 10.603 1.00 69.43 O ATOM 395 H ASP A1014 -24.976 51.245 10.365 1.00 0.00 H ATOM 396 N PRO A1015 -24.263 54.285 13.387 1.00 68.74 N ATOM 397 CA PRO A1015 -24.441 54.490 14.833 1.00 72.91 C ATOM 398 C PRO A1015 -25.858 54.917 15.237 1.00 77.36 C ATOM 399 O PRO A1015 -26.294 54.617 16.350 1.00 78.97 O ATOM 400 CB PRO A1015 -23.438 55.604 15.163 1.00 73.30 C ATOM 401 CG PRO A1015 -22.430 55.557 14.069 1.00 71.99 C ATOM 402 CD PRO A1015 -23.189 55.139 12.846 1.00 69.42 C ATOM 403 N ASP A1016 -26.559 55.612 14.341 1.00 80.30 N ATOM 404 CA ASP A1016 -27.932 56.054 14.595 1.00 84.71 C ATOM 405 C ASP A1016 -28.910 54.881 14.547 1.00 84.65 C ATOM 406 O ASP A1016 -29.824 54.797 15.369 1.00 85.52 O ATOM 407 CB ASP A1016 -28.362 57.118 13.577 1.00 85.95 C ATOM 408 CG ASP A1016 -27.482 58.361 13.609 1.00 86.74 C ATOM 409 OD1 ASP A1016 -26.719 58.544 14.583 1.00 85.26 O ATOM 410 OD2 ASP A1016 -27.558 59.159 12.651 1.00 87.36 O ATOM 411 H ASP A1016 -26.116 55.848 13.430 1.00 0.00 H ATOM 412 N GLU A1017 -28.717 53.986 13.579 1.00 83.42 N ATOM 413 CA GLU A1017 -29.575 52.811 13.430 1.00 83.12 C ATOM 414 C GLU A1017 -29.362 51.826 14.580 1.00 82.80 C ATOM 415 O GLU A1017 -30.323 51.252 15.094 1.00 84.59 O ATOM 416 CB GLU A1017 -29.319 52.119 12.089 1.00 83.28 C ATOM 417 CG GLU A1017 -30.416 51.149 11.678 1.00 82.59 C ATOM 418 CD GLU A1017 -30.123 50.470 10.355 1.00 83.15 C ATOM 419 OE1 GLU A1017 -29.142 49.700 10.286 1.00 83.22 O ATOM 420 OE2 GLU A1017 -30.868 50.712 9.382 1.00 84.60 O ATOM 421 H GLU A1017 -27.933 54.127 12.910 1.00 0.00 H ATOM 422 N VAL A1018 -28.103 51.633 14.969 1.00 79.35 N ATOM 423 CA VAL A1018 -27.761 50.805 16.125 1.00 76.41 C ATOM 424 C VAL A1018 -26.627 51.454 16.925 1.00 74.92 C ATOM 425 O VAL A1018 -25.520 51.612 16.409 1.00 73.32 O ATOM 426 CB VAL A1018 -27.352 49.380 15.705 1.00 75.33 C ATOM 427 CG1 VAL A1018 -26.155 49.413 14.772 1.00 74.30 C ATOM 428 CG2 VAL A1018 -27.049 48.536 16.930 1.00 74.88 C ATOM 429 H VAL A1018 -27.337 52.087 14.432 1.00 0.00 H ATOM 430 N PRO A1019 -26.901 51.840 18.187 1.00 71.89 N ATOM 431 CA PRO A1019 -25.890 52.504 19.013 1.00 69.40 C ATOM 432 C PRO A1019 -24.962 51.555 19.780 1.00 64.40 C ATOM 433 O PRO A1019 -23.840 51.940 20.110 1.00 64.99 O ATOM 434 CB PRO A1019 -26.737 53.317 19.993 1.00 72.57 C ATOM 435 CG PRO A1019 -27.976 52.506 20.167 1.00 73.09 C ATOM 436 CD PRO A1019 -28.205 51.767 18.875 1.00 72.06 C ATOM 437 N ASP A1020 -25.421 50.335 20.059 1.00 60.79 N ATOM 438 CA ASP A1020 -24.648 49.383 20.872 1.00 58.76 C ATOM 439 C ASP A1020 -23.657 48.520 20.076 1.00 54.12 C ATOM 440 O ASP A1020 -22.968 47.680 20.662 1.00 54.34 O ATOM 441 CB ASP A1020 -25.589 48.468 21.668 1.00 60.47 C ATOM 442 CG ASP A1020 -26.420 47.563 20.778 1.00 61.71 C ATOM 443 OD1 ASP A1020 -27.292 48.083 20.049 1.00 66.85 O ATOM 444 OD2 ASP A1020 -26.205 46.332 20.812 1.00 59.49 O ATOM 445 H ASP A1020 -26.351 50.048 19.692 1.00 0.00 H ATOM 446 N TYR A1021 -23.578 48.717 18.760 1.00 49.57 N ATOM 447 CA TYR A1021 -22.684 47.908 17.925 1.00 45.17 C ATOM 448 C TYR A1021 -21.219 48.142 18.287 1.00 46.27 C ATOM 449 O TYR A1021 -20.465 47.187 18.480 1.00 44.81 O ATOM 450 CB TYR A1021 -22.908 48.187 16.433 1.00 41.94 C ATOM 451 CG TYR A1021 -22.202 47.198 15.530 1.00 38.18 C ATOM 452 CD1 TYR A1021 -22.781 45.970 15.226 1.00 36.51 C ATOM 453 CD2 TYR A1021 -20.947 47.483 14.993 1.00 36.67 C ATOM 454 CE1 TYR A1021 -22.138 45.056 14.408 1.00 35.18 C ATOM 455 CE2 TYR A1021 -20.296 46.575 14.173 1.00 34.68 C ATOM 456 CZ TYR A1021 -20.896 45.365 13.882 1.00 33.63 C ATOM 457 OH TYR A1021 -20.257 44.455 13.076 1.00 31.39 O ATOM 458 HH TYR A1021 -20.825 43.651 12.974 1.00 0.00 H ATOM 459 H TYR A1021 -24.160 49.457 18.318 1.00 0.00 H ATOM 460 N VAL A1022 -20.829 49.413 18.389 1.00 48.95 N ATOM 461 CA VAL A1022 -19.451 49.787 18.728 1.00 50.39 C ATOM 462 C VAL A1022 -19.007 49.215 20.079 1.00 49.71 C ATOM 463 O VAL A1022 -17.831 48.905 20.264 1.00 49.06 O ATOM 464 CB VAL A1022 -19.259 51.322 18.745 1.00 53.42 C ATOM 465 CG1 VAL A1022 -17.835 51.685 19.141 1.00 54.29 C ATOM 466 CG2 VAL A1022 -19.591 51.922 17.388 1.00 54.29 C ATOM 467 H VAL A1022 -21.526 50.166 18.222 1.00 0.00 H ATOM 468 N THR A1023 -19.943 49.071 21.016 1.00 49.61 N ATOM 469 CA THR A1023 -19.619 48.522 22.336 1.00 50.12 C ATOM 470 C THR A1023 -19.471 46.994 22.312 1.00 47.44 C ATOM 471 O THR A1023 -18.612 46.447 23.010 1.00 49.08 O ATOM 472 CB THR A1023 -20.645 48.953 23.409 1.00 51.02 C ATOM 473 OG1 THR A1023 -21.950 48.466 23.072 1.00 53.46 O ATOM 474 CG2 THR A1023 -20.690 50.468 23.519 1.00 51.23 C ATOM 475 HG1 THR A1023 -22.223 48.836 22.195 1.00 0.00 H ATOM 476 H THR A1023 -20.922 49.353 20.807 1.00 0.00 H ATOM 477 N VAL A1024 -20.286 46.316 21.503 1.00 43.41 N ATOM 478 CA VAL A1024 -20.249 44.850 21.404 1.00 41.24 C ATOM 479 C VAL A1024 -19.151 44.345 20.461 1.00 39.78 C ATOM 480 O VAL A1024 -18.419 43.410 20.797 1.00 41.16 O ATOM 481 CB VAL A1024 -21.604 44.283 20.928 1.00 41.01 C ATOM 482 CG1 VAL A1024 -21.523 42.771 20.751 1.00 40.03 C ATOM 483 CG2 VAL A1024 -22.711 44.651 21.908 1.00 41.74 C ATOM 484 H VAL A1024 -20.970 46.842 20.923 1.00 0.00 H ATOM 485 N ILE A1025 -19.048 44.952 19.281 1.00 36.36 N ATOM 486 CA ILE A1025 -18.077 44.527 18.273 1.00 32.69 C ATOM 487 C ILE A1025 -16.826 45.407 18.336 1.00 32.85 C ATOM 488 O ILE A1025 -16.863 46.583 17.968 1.00 32.19 O ATOM 489 CB ILE A1025 -18.693 44.563 16.856 1.00 30.96 C ATOM 490 CG1 ILE A1025 -19.873 43.587 16.762 1.00 30.37 C ATOM 491 CG2 ILE A1025 -17.651 44.219 15.803 1.00 28.95 C ATOM 492 CD1 ILE A1025 -19.521 42.141 17.045 1.00 30.26 C ATOM 493 H ILE A1025 -19.677 45.753 19.069 1.00 0.00 H ATOM 494 N LYS A1026 -15.720 44.820 18.792 1.00 32.33 N ATOM 495 CA LYS A1026 -14.505 45.578 19.096 1.00 32.97 C ATOM 496 C LYS A1026 -13.682 45.954 17.868 1.00 31.89 C ATOM 497 O LYS A1026 -12.959 46.953 17.904 1.00 31.83 O ATOM 498 CB LYS A1026 -13.628 44.807 20.090 1.00 34.33 C ATOM 499 CG LYS A1026 -14.319 44.467 21.403 1.00 35.69 C ATOM 500 CD LYS A1026 -15.019 45.674 22.009 1.00 36.68 C ATOM 501 CE LYS A1026 -15.451 45.415 23.439 1.00 38.17 C ATOM 502 NZ LYS A1026 -16.034 46.641 24.048 1.00 38.95 N ATOM 503 HZ1 LYS A1026 -15.323 47.400 24.045 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -16.864 46.940 23.496 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.322 46.437 25.026 1.00 0.00 H ATOM 506 H LYS A1026 -15.720 43.790 18.937 1.00 0.00 H ATOM 507 N GLN A1027 -13.775 45.152 16.802 1.00 29.79 N ATOM 508 CA GLN A1027 -13.108 45.478 15.546 1.00 29.06 C ATOM 509 C GLN A1027 -14.103 45.451 14.385 1.00 27.98 C ATOM 510 O GLN A1027 -14.196 44.474 13.643 1.00 26.83 O ATOM 511 CB GLN A1027 -11.920 44.553 15.287 1.00 28.66 C ATOM 512 CG GLN A1027 -11.005 45.092 14.203 1.00 28.11 C ATOM 513 CD GLN A1027 -9.642 44.445 14.203 1.00 27.89 C ATOM 514 OE1 GLN A1027 -8.735 44.900 13.513 1.00 28.04 O ATOM 515 NE2 GLN A1027 -9.490 43.376 14.976 1.00 28.01 N ATOM 516 HE22 GLN A1027 -10.289 43.027 15.544 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.572 42.888 15.014 1.00 0.00 H ATOM 518 H GLN A1027 -14.334 44.278 16.870 1.00 0.00 H ATOM 519 N PRO A1028 -14.864 46.545 14.231 1.00 28.04 N ATOM 520 CA PRO A1028 -15.792 46.584 13.096 1.00 27.40 C ATOM 521 C PRO A1028 -15.035 46.489 11.779 1.00 25.27 C ATOM 522 O PRO A1028 -13.934 47.023 11.663 1.00 23.83 O ATOM 523 CB PRO A1028 -16.469 47.957 13.225 1.00 29.06 C ATOM 524 CG PRO A1028 -16.232 48.393 14.631 1.00 30.81 C ATOM 525 CD PRO A1028 -14.958 47.747 15.078 1.00 29.56 C ATOM 526 N MET A1029 -15.606 45.785 10.808 1.00 23.37 N ATOM 527 CA MET A1029 -14.992 45.677 9.491 1.00 22.70 C ATOM 528 C MET A1029 -16.078 45.598 8.431 1.00 21.60 C ATOM 529 O MET A1029 -17.160 45.067 8.671 1.00 20.91 O ATOM 530 CB MET A1029 -14.064 44.460 9.423 1.00 22.51 C ATOM 531 CG MET A1029 -13.197 44.369 8.171 1.00 22.51 C ATOM 532 SD MET A1029 -12.190 45.825 7.786 1.00 24.45 S ATOM 533 CE MET A1029 -11.299 46.064 9.325 1.00 24.48 C ATOM 534 H MET A1029 -16.508 45.302 10.991 1.00 0.00 H ATOM 535 N ASP A1030 -15.780 46.149 7.265 1.00 21.24 N ATOM 536 CA ASP A1030 -16.740 46.210 6.172 1.00 21.26 C ATOM 537 C ASP A1030 -15.962 46.346 4.872 1.00 20.12 C ATOM 538 O ASP A1030 -14.768 46.632 4.891 1.00 19.66 O ATOM 539 CB ASP A1030 -17.685 47.402 6.364 1.00 22.52 C ATOM 540 CG ASP A1030 -16.980 48.732 6.197 1.00 24.25 C ATOM 541 OD1 ASP A1030 -16.345 49.214 7.157 1.00 26.56 O ATOM 542 OD2 ASP A1030 -17.049 49.297 5.092 1.00 24.51 O ATOM 543 H ASP A1030 -14.831 46.551 7.125 1.00 0.00 H ATOM 544 N LEU A1031 -16.637 46.157 3.747 1.00 19.54 N ATOM 545 CA LEU A1031 -15.952 46.124 2.449 1.00 19.37 C ATOM 546 C LEU A1031 -15.404 47.491 2.006 1.00 20.27 C ATOM 547 O LEU A1031 -14.414 47.537 1.277 1.00 19.66 O ATOM 548 CB LEU A1031 -16.863 45.523 1.369 1.00 18.44 C ATOM 549 CG LEU A1031 -17.333 44.073 1.593 1.00 18.16 C ATOM 550 CD1 LEU A1031 -18.437 43.672 0.609 1.00 17.14 C ATOM 551 CD2 LEU A1031 -16.159 43.103 1.504 1.00 17.46 C ATOM 552 H LEU A1031 -17.669 46.030 3.784 1.00 0.00 H ATOM 553 N SER A1032 -16.021 48.601 2.426 1.00 21.53 N ATOM 554 CA SER A1032 -15.427 49.913 2.126 1.00 22.58 C ATOM 555 C SER A1032 -14.125 50.086 2.906 1.00 22.14 C ATOM 556 O SER A1032 -13.142 50.601 2.374 1.00 22.38 O ATOM 557 CB SER A1032 -16.395 51.064 2.430 1.00 23.83 C ATOM 558 OG SER A1032 -16.707 51.136 3.808 1.00 24.57 O ATOM 559 HG SER A1032 -17.131 50.288 4.094 1.00 0.00 H ATOM 560 H SER A1032 -16.912 48.537 2.959 1.00 0.00 H ATOM 561 N SER A1033 -14.118 49.638 4.160 1.00 21.86 N ATOM 562 CA SER A1033 -12.906 49.671 4.981 1.00 22.22 C ATOM 563 C SER A1033 -11.818 48.763 4.418 1.00 20.77 C ATOM 564 O SER A1033 -10.635 49.102 4.484 1.00 21.25 O ATOM 565 CB SER A1033 -13.213 49.285 6.431 1.00 23.37 C ATOM 566 OG SER A1033 -13.918 50.326 7.082 1.00 25.10 O ATOM 567 HG SER A1033 -14.770 50.494 6.606 1.00 0.00 H ATOM 568 H SER A1033 -14.995 49.255 4.566 1.00 0.00 H ATOM 569 N VAL A1034 -12.211 47.616 3.866 1.00 19.17 N ATOM 570 CA VAL A1034 -11.251 46.728 3.201 1.00 18.73 C ATOM 571 C VAL A1034 -10.595 47.439 2.012 1.00 18.45 C ATOM 572 O VAL A1034 -9.380 47.369 1.850 1.00 18.22 O ATOM 573 CB VAL A1034 -11.907 45.396 2.756 1.00 18.38 C ATOM 574 CG1 VAL A1034 -10.968 44.591 1.866 1.00 17.96 C ATOM 575 CG2 VAL A1034 -12.322 44.569 3.972 1.00 18.19 C ATOM 576 H VAL A1034 -13.214 47.346 3.907 1.00 0.00 H ATOM 577 N ILE A1035 -11.387 48.133 1.191 1.00 18.79 N ATOM 578 CA ILE A1035 -10.838 48.895 0.051 1.00 19.23 C ATOM 579 C ILE A1035 -9.845 49.970 0.511 1.00 19.15 C ATOM 580 O ILE A1035 -8.762 50.111 -0.058 1.00 18.82 O ATOM 581 CB ILE A1035 -11.947 49.579 -0.773 1.00 20.41 C ATOM 582 CG1 ILE A1035 -12.787 48.538 -1.525 1.00 20.96 C ATOM 583 CG2 ILE A1035 -11.350 50.585 -1.751 1.00 21.18 C ATOM 584 CD1 ILE A1035 -12.005 47.756 -2.552 1.00 21.62 C ATOM 585 H ILE A1035 -12.413 48.137 1.358 1.00 0.00 H ATOM 586 N SER A1036 -10.217 50.721 1.544 1.00 19.70 N ATOM 587 CA SER A1036 -9.325 51.725 2.115 1.00 20.40 C ATOM 588 C SER A1036 -7.999 51.105 2.571 1.00 19.52 C ATOM 589 O SER A1036 -6.936 51.662 2.324 1.00 19.69 O ATOM 590 CB SER A1036 -10.001 52.438 3.286 1.00 21.77 C ATOM 591 OG SER A1036 -11.033 53.287 2.812 1.00 23.56 O ATOM 592 HG SER A1036 -11.462 53.742 3.579 1.00 0.00 H ATOM 593 H SER A1036 -11.164 50.590 1.954 1.00 0.00 H ATOM 594 N LYS A1037 -8.076 49.951 3.227 1.00 18.67 N ATOM 595 CA LYS A1037 -6.888 49.251 3.719 1.00 18.70 C ATOM 596 C LYS A1037 -5.998 48.733 2.579 1.00 18.26 C ATOM 597 O LYS A1037 -4.770 48.808 2.664 1.00 18.81 O ATOM 598 CB LYS A1037 -7.290 48.114 4.669 1.00 18.46 C ATOM 599 CG LYS A1037 -7.735 48.613 6.037 1.00 19.48 C ATOM 600 CD LYS A1037 -8.031 47.482 7.013 1.00 19.31 C ATOM 601 CE LYS A1037 -6.758 46.814 7.511 1.00 19.58 C ATOM 602 NZ LYS A1037 -7.036 45.787 8.555 1.00 19.70 N ATOM 603 HZ1 LYS A1037 -7.505 46.238 9.366 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.656 45.051 8.159 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.141 45.358 8.865 1.00 0.00 H ATOM 606 H LYS A1037 -9.012 49.531 3.396 1.00 0.00 H ATOM 607 N ILE A1038 -6.614 48.226 1.513 1.00 17.51 N ATOM 608 CA ILE A1038 -5.867 47.824 0.321 1.00 17.34 C ATOM 609 C ILE A1038 -5.033 49.006 -0.173 1.00 18.29 C ATOM 610 O ILE A1038 -3.826 48.868 -0.398 1.00 18.72 O ATOM 611 CB ILE A1038 -6.785 47.369 -0.839 1.00 16.30 C ATOM 612 CG1 ILE A1038 -7.523 46.072 -0.498 1.00 16.00 C ATOM 613 CG2 ILE A1038 -5.967 47.165 -2.104 1.00 16.27 C ATOM 614 CD1 ILE A1038 -8.664 45.755 -1.449 1.00 15.37 C ATOM 615 H ILE A1038 -7.648 48.113 1.528 1.00 0.00 H ATOM 616 N ASP A1039 -5.681 50.162 -0.321 1.00 19.00 N ATOM 617 CA ASP A1039 -5.031 51.357 -0.862 1.00 20.47 C ATOM 618 C ASP A1039 -3.979 51.936 0.086 1.00 21.27 C ATOM 619 O ASP A1039 -3.072 52.642 -0.355 1.00 22.34 O ATOM 620 CB ASP A1039 -6.059 52.444 -1.202 1.00 21.42 C ATOM 621 CG ASP A1039 -6.990 52.049 -2.335 1.00 21.82 C ATOM 622 OD1 ASP A1039 -6.685 51.094 -3.080 1.00 22.18 O ATOM 623 OD2 ASP A1039 -8.038 52.711 -2.486 1.00 22.86 O ATOM 624 H ASP A1039 -6.682 50.216 -0.043 1.00 0.00 H ATOM 625 N LEU A1040 -4.099 51.635 1.378 1.00 21.12 N ATOM 626 CA LEU A1040 -3.093 52.033 2.366 1.00 21.78 C ATOM 627 C LEU A1040 -1.947 51.024 2.497 1.00 21.89 C ATOM 628 O LEU A1040 -1.081 51.190 3.354 1.00 22.66 O ATOM 629 CB LEU A1040 -3.749 52.244 3.733 1.00 21.82 C ATOM 630 CG LEU A1040 -4.642 53.474 3.860 1.00 22.65 C ATOM 631 CD1 LEU A1040 -5.491 53.392 5.118 1.00 22.46 C ATOM 632 CD2 LEU A1040 -3.790 54.737 3.852 1.00 23.57 C ATOM 633 H LEU A1040 -4.933 51.101 1.695 1.00 0.00 H ATOM 634 N HIS A1041 -1.946 49.982 1.661 1.00 21.06 N ATOM 635 CA HIS A1041 -0.886 48.961 1.646 1.00 21.39 C ATOM 636 C HIS A1041 -0.869 48.156 2.924 1.00 22.13 C ATOM 637 O HIS A1041 0.187 47.718 3.384 1.00 21.95 O ATOM 638 CB HIS A1041 0.496 49.581 1.390 1.00 22.13 C ATOM 639 CG HIS A1041 0.614 50.313 0.072 1.00 22.40 C ATOM 640 ND1 HIS A1041 1.804 50.575 -0.498 1.00 23.36 N ATOM 641 CD2 HIS A1041 -0.353 50.826 -0.787 1.00 22.62 C ATOM 642 CE1 HIS A1041 1.609 51.233 -1.657 1.00 23.23 C ATOM 643 NE2 HIS A1041 0.289 51.382 -1.833 1.00 23.08 N ATOM 644 H HIS A1041 -2.733 49.888 0.988 1.00 0.00 H ATOM 645 N LYS A1042 -2.043 47.948 3.511 1.00 22.47 N ATOM 646 CA LYS A1042 -2.149 47.229 4.782 1.00 23.58 C ATOM 647 C LYS A1042 -2.097 45.718 4.598 1.00 22.73 C ATOM 648 O LYS A1042 -1.800 44.998 5.542 1.00 22.86 O ATOM 649 CB LYS A1042 -3.438 47.609 5.509 1.00 25.03 C ATOM 650 CG LYS A1042 -3.493 49.054 5.990 1.00 27.76 C ATOM 651 CD LYS A1042 -2.459 49.335 7.070 1.00 30.64 C ATOM 652 CE LYS A1042 -2.721 50.667 7.758 1.00 33.39 C ATOM 653 NZ LYS A1042 -1.578 51.070 8.623 1.00 36.83 N ATOM 654 HZ1 LYS A1042 -1.426 50.346 9.354 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -0.721 51.163 8.042 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -1.792 51.982 9.075 1.00 0.00 H ATOM 657 H LYS A1042 -2.908 48.305 3.056 1.00 0.00 H ATOM 658 N TYR A1043 -2.413 45.241 3.394 1.00 21.56 N ATOM 659 CA TYR A1043 -2.357 43.819 3.087 1.00 20.69 C ATOM 660 C TYR A1043 -1.138 43.537 2.219 1.00 21.99 C ATOM 661 O TYR A1043 -1.020 44.081 1.117 1.00 22.89 O ATOM 662 CB TYR A1043 -3.614 43.373 2.348 1.00 18.79 C ATOM 663 CG TYR A1043 -4.917 43.732 3.030 1.00 18.21 C ATOM 664 CD1 TYR A1043 -5.222 43.253 4.301 1.00 18.28 C ATOM 665 CD2 TYR A1043 -5.852 44.541 2.395 1.00 17.75 C ATOM 666 CE1 TYR A1043 -6.421 43.580 4.919 1.00 18.30 C ATOM 667 CE2 TYR A1043 -7.056 44.863 2.998 1.00 17.69 C ATOM 668 CZ TYR A1043 -7.337 44.383 4.259 1.00 17.81 C ATOM 669 OH TYR A1043 -8.531 44.716 4.853 1.00 18.06 O ATOM 670 HH TYR A1043 -8.581 44.297 5.748 1.00 0.00 H ATOM 671 H TYR A1043 -2.709 45.906 2.651 1.00 0.00 H ATOM 672 N LEU A1044 -0.232 42.703 2.722 1.00 22.20 N ATOM 673 CA LEU A1044 0.927 42.257 1.954 1.00 22.85 C ATOM 674 C LEU A1044 0.773 40.810 1.494 1.00 21.57 C ATOM 675 O LEU A1044 1.601 40.315 0.737 1.00 22.34 O ATOM 676 CB LEU A1044 2.218 42.411 2.767 1.00 25.05 C ATOM 677 CG LEU A1044 2.579 43.821 3.260 1.00 27.09 C ATOM 678 CD1 LEU A1044 4.027 43.864 3.733 1.00 28.13 C ATOM 679 CD2 LEU A1044 2.348 44.871 2.177 1.00 28.04 C ATOM 680 H LEU A1044 -0.353 42.357 3.695 1.00 0.00 H ATOM 681 N THR A1045 -0.272 40.135 1.965 1.00 20.73 N ATOM 682 CA THR A1045 -0.606 38.790 1.508 1.00 20.65 C ATOM 683 C THR A1045 -2.124 38.622 1.427 1.00 20.24 C ATOM 684 O THR A1045 -2.880 39.354 2.072 1.00 19.71 O ATOM 685 CB THR A1045 -0.066 37.717 2.463 1.00 20.70 C ATOM 686 OG1 THR A1045 -0.810 37.752 3.683 1.00 20.59 O ATOM 687 CG2 THR A1045 1.428 37.927 2.763 1.00 21.17 C ATOM 688 HG1 THR A1045 -0.463 37.060 4.300 1.00 0.00 H ATOM 689 H THR A1045 -0.873 40.583 2.686 1.00 0.00 H ATOM 690 N VAL A1046 -2.567 37.645 0.645 1.00 20.49 N ATOM 691 CA VAL A1046 -3.994 37.330 0.560 1.00 20.28 C ATOM 692 C VAL A1046 -4.481 36.776 1.902 1.00 21.19 C ATOM 693 O VAL A1046 -5.629 36.982 2.289 1.00 20.62 O ATOM 694 CB VAL A1046 -4.300 36.359 -0.603 1.00 20.08 C ATOM 695 CG1 VAL A1046 -5.790 36.062 -0.690 1.00 20.18 C ATOM 696 CG2 VAL A1046 -3.811 36.953 -1.921 1.00 19.83 C ATOM 697 H VAL A1046 -1.888 37.093 0.083 1.00 0.00 H ATOM 698 N LYS A1047 -3.593 36.096 2.622 1.00 23.47 N ATOM 699 CA LYS A1047 -3.900 35.604 3.965 1.00 24.95 C ATOM 700 C LYS A1047 -4.359 36.737 4.890 1.00 23.79 C ATOM 701 O LYS A1047 -5.339 36.593 5.621 1.00 23.30 O ATOM 702 CB LYS A1047 -2.672 34.911 4.556 1.00 28.02 C ATOM 703 CG LYS A1047 -2.961 33.936 5.677 1.00 31.18 C ATOM 704 CD LYS A1047 -1.737 33.075 5.977 1.00 34.15 C ATOM 705 CE LYS A1047 -1.581 31.951 4.960 1.00 36.25 C ATOM 706 NZ LYS A1047 -0.282 31.232 5.099 1.00 40.79 N ATOM 707 HZ1 LYS A1047 0.501 31.902 4.959 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -0.218 30.816 6.050 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -0.226 30.478 4.385 1.00 0.00 H ATOM 710 H LYS A1047 -2.653 35.909 2.218 1.00 0.00 H ATOM 711 N ASP A1048 -3.651 37.863 4.851 1.00 23.83 N ATOM 712 CA ASP A1048 -3.990 39.008 5.696 1.00 24.04 C ATOM 713 C ASP A1048 -5.322 39.641 5.285 1.00 22.83 C ATOM 714 O ASP A1048 -6.110 40.061 6.139 1.00 22.88 O ATOM 715 CB ASP A1048 -2.862 40.046 5.668 1.00 25.68 C ATOM 716 CG ASP A1048 -1.622 39.591 6.442 1.00 28.09 C ATOM 717 OD1 ASP A1048 -1.717 38.663 7.274 1.00 30.70 O ATOM 718 OD2 ASP A1048 -0.549 40.169 6.225 1.00 30.73 O ATOM 719 H ASP A1048 -2.838 37.931 4.205 1.00 0.00 H ATOM 720 N TYR A1049 -5.564 39.689 3.976 1.00 20.25 N ATOM 721 CA TYR A1049 -6.852 40.113 3.423 1.00 19.03 C ATOM 722 C TYR A1049 -7.993 39.234 3.934 1.00 18.87 C ATOM 723 O TYR A1049 -9.028 39.740 4.374 1.00 18.08 O ATOM 724 CB TYR A1049 -6.784 40.073 1.889 1.00 18.15 C ATOM 725 CG TYR A1049 -8.089 40.284 1.163 1.00 17.34 C ATOM 726 CD1 TYR A1049 -8.538 41.565 0.852 1.00 17.09 C ATOM 727 CD2 TYR A1049 -8.865 39.198 0.755 1.00 16.98 C ATOM 728 CE1 TYR A1049 -9.732 41.761 0.176 1.00 16.51 C ATOM 729 CE2 TYR A1049 -10.058 39.385 0.071 1.00 16.44 C ATOM 730 CZ TYR A1049 -10.489 40.665 -0.217 1.00 16.42 C ATOM 731 OH TYR A1049 -11.675 40.852 -0.905 1.00 16.17 O ATOM 732 HH TYR A1049 -11.835 41.821 -1.027 1.00 0.00 H ATOM 733 H TYR A1049 -4.806 39.414 3.319 1.00 0.00 H ATOM 734 N LEU A1050 -7.795 37.918 3.884 1.00 19.08 N ATOM 735 CA LEU A1050 -8.828 36.978 4.307 1.00 19.85 C ATOM 736 C LEU A1050 -9.135 37.039 5.800 1.00 21.07 C ATOM 737 O LEU A1050 -10.234 36.675 6.214 1.00 21.60 O ATOM 738 CB LEU A1050 -8.476 35.547 3.895 1.00 19.71 C ATOM 739 CG LEU A1050 -8.693 35.291 2.401 1.00 19.70 C ATOM 740 CD1 LEU A1050 -8.140 33.928 2.011 1.00 20.44 C ATOM 741 CD2 LEU A1050 -10.171 35.403 2.030 1.00 19.01 C ATOM 742 H LEU A1050 -6.885 37.553 3.536 1.00 0.00 H ATOM 743 N ARG A1051 -8.180 37.506 6.599 1.00 22.32 N ATOM 744 CA ARG A1051 -8.418 37.713 8.021 1.00 24.45 C ATOM 745 C ARG A1051 -9.517 38.760 8.224 1.00 21.94 C ATOM 746 O ARG A1051 -10.370 38.610 9.099 1.00 20.56 O ATOM 747 CB ARG A1051 -7.126 38.124 8.732 1.00 27.73 C ATOM 748 CG ARG A1051 -7.170 37.935 10.237 1.00 32.95 C ATOM 749 CD ARG A1051 -5.808 38.156 10.893 1.00 36.80 C ATOM 750 NE ARG A1051 -4.764 37.298 10.321 1.00 39.92 N ATOM 751 CZ ARG A1051 -3.705 37.718 9.620 1.00 43.05 C ATOM 752 NH1 ARG A1051 -3.493 39.014 9.380 1.00 43.41 N ATOM 753 NH2 ARG A1051 -2.834 36.825 9.158 1.00 43.35 N ATOM 754 HE ARG A1051 -4.855 36.273 10.474 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.661 39.312 8.832 1.00 0.00 H ATOM 756 HH11 ARG A1051 -4.160 39.726 9.741 1.00 0.00 H ATOM 757 HH22 ARG A1051 -2.007 37.140 8.612 1.00 0.00 H ATOM 758 HH21 ARG A1051 -2.980 35.812 9.343 1.00 0.00 H ATOM 759 H ARG A1051 -7.245 37.728 6.201 1.00 0.00 H ATOM 760 N ASP A1052 -9.518 39.795 7.386 1.00 20.42 N ATOM 761 CA ASP A1052 -10.539 40.839 7.469 1.00 19.87 C ATOM 762 C ASP A1052 -11.888 40.404 6.886 1.00 19.12 C ATOM 763 O ASP A1052 -12.935 40.802 7.401 1.00 19.11 O ATOM 764 CB ASP A1052 -10.048 42.143 6.824 1.00 19.65 C ATOM 765 CG ASP A1052 -9.247 43.008 7.791 1.00 20.98 C ATOM 766 OD1 ASP A1052 -9.267 42.727 9.010 1.00 21.15 O ATOM 767 OD2 ASP A1052 -8.606 43.975 7.337 1.00 21.16 O ATOM 768 H ASP A1052 -8.778 39.862 6.658 1.00 0.00 H ATOM 769 N ILE A1053 -11.873 39.579 5.838 1.00 18.35 N ATOM 770 CA ILE A1053 -13.114 38.993 5.326 1.00 18.39 C ATOM 771 C ILE A1053 -13.732 38.097 6.402 1.00 19.21 C ATOM 772 O ILE A1053 -14.941 38.160 6.666 1.00 18.71 O ATOM 773 CB ILE A1053 -12.890 38.186 4.021 1.00 18.10 C ATOM 774 CG1 ILE A1053 -12.414 39.108 2.888 1.00 17.81 C ATOM 775 CG2 ILE A1053 -14.166 37.458 3.607 1.00 17.68 C ATOM 776 CD1 ILE A1053 -13.381 40.229 2.540 1.00 17.60 C ATOM 777 H ILE A1053 -10.969 39.349 5.379 1.00 0.00 H ATOM 778 N ASP A1054 -12.899 37.271 7.034 1.00 19.80 N ATOM 779 CA ASP A1054 -13.353 36.432 8.138 1.00 20.38 C ATOM 780 C ASP A1054 -13.894 37.272 9.293 1.00 20.66 C ATOM 781 O ASP A1054 -14.865 36.883 9.933 1.00 21.62 O ATOM 782 CB ASP A1054 -12.228 35.520 8.633 1.00 21.58 C ATOM 783 CG ASP A1054 -11.956 34.358 7.694 1.00 22.85 C ATOM 784 OD1 ASP A1054 -12.903 33.817 7.096 1.00 23.25 O ATOM 785 OD2 ASP A1054 -10.786 33.965 7.567 1.00 24.67 O ATOM 786 H ASP A1054 -11.904 37.223 6.734 1.00 0.00 H ATOM 787 N LEU A1055 -13.270 38.424 9.538 1.00 20.36 N ATOM 788 CA LEU A1055 -13.706 39.362 10.570 1.00 20.42 C ATOM 789 C LEU A1055 -15.110 39.923 10.294 1.00 20.46 C ATOM 790 O LEU A1055 -15.941 40.000 11.199 1.00 20.27 O ATOM 791 CB LEU A1055 -12.695 40.505 10.698 1.00 20.93 C ATOM 792 CG LEU A1055 -12.863 41.486 11.855 1.00 21.92 C ATOM 793 CD1 LEU A1055 -12.930 40.773 13.203 1.00 22.14 C ATOM 794 CD2 LEU A1055 -11.716 42.487 11.824 1.00 21.94 C ATOM 795 H LEU A1055 -12.434 38.666 8.968 1.00 0.00 H ATOM 796 N ILE A1056 -15.374 40.311 9.049 1.00 19.74 N ATOM 797 CA ILE A1056 -16.719 40.729 8.652 1.00 19.39 C ATOM 798 C ILE A1056 -17.709 39.609 8.980 1.00 19.48 C ATOM 799 O ILE A1056 -18.761 39.855 9.568 1.00 20.19 O ATOM 800 CB ILE A1056 -16.808 41.063 7.147 1.00 18.88 C ATOM 801 CG1 ILE A1056 -15.965 42.297 6.807 1.00 18.78 C ATOM 802 CG2 ILE A1056 -18.252 41.314 6.739 1.00 18.84 C ATOM 803 CD1 ILE A1056 -15.799 42.528 5.316 1.00 18.41 C ATOM 804 H ILE A1056 -14.609 40.317 8.344 1.00 0.00 H ATOM 805 N CYS A1057 -17.356 38.375 8.635 1.00 20.01 N ATOM 806 CA CYS A1057 -18.244 37.239 8.877 1.00 20.68 C ATOM 807 C CYS A1057 -18.440 36.973 10.373 1.00 20.90 C ATOM 808 O CYS A1057 -19.575 36.932 10.847 1.00 21.71 O ATOM 809 CB CYS A1057 -17.733 35.981 8.170 1.00 21.23 C ATOM 810 SG CYS A1057 -18.833 34.553 8.310 1.00 23.53 S ATOM 811 H CYS A1057 -16.432 38.215 8.185 1.00 0.00 H ATOM 812 N SER A1058 -17.348 36.812 11.116 1.00 20.78 N ATOM 813 CA SER A1058 -17.442 36.498 12.545 1.00 22.11 C ATOM 814 C SER A1058 -18.152 37.588 13.355 1.00 21.91 C ATOM 815 O SER A1058 -18.874 37.274 14.298 1.00 22.39 O ATOM 816 CB SER A1058 -16.059 36.199 13.147 1.00 23.41 C ATOM 817 OG SER A1058 -15.197 37.320 13.050 1.00 25.03 O ATOM 818 HG SER A1058 -14.318 37.094 13.446 1.00 0.00 H ATOM 819 H SER A1058 -16.411 36.911 10.675 1.00 0.00 H ATOM 820 N ASN A1059 -17.946 38.854 12.991 1.00 21.36 N ATOM 821 CA ASN A1059 -18.665 39.970 13.624 1.00 21.48 C ATOM 822 C ASN A1059 -20.177 39.796 13.459 1.00 21.76 C ATOM 823 O ASN A1059 -20.943 39.988 14.409 1.00 22.10 O ATOM 824 CB ASN A1059 -18.239 41.333 13.034 1.00 20.91 C ATOM 825 CG ASN A1059 -16.865 41.802 13.509 1.00 21.36 C ATOM 826 OD1 ASN A1059 -16.272 41.242 14.429 1.00 21.90 O ATOM 827 ND2 ASN A1059 -16.362 42.853 12.878 1.00 20.54 N ATOM 828 HD22 ASN A1059 -16.895 43.299 12.104 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.434 43.232 13.157 1.00 0.00 H ATOM 830 H ASN A1059 -17.258 39.058 12.239 1.00 0.00 H ATOM 831 N ALA A1060 -20.598 39.432 12.245 1.00 21.46 N ATOM 832 CA ALA A1060 -22.014 39.223 11.938 1.00 21.66 C ATOM 833 C ALA A1060 -22.605 38.055 12.726 1.00 22.23 C ATOM 834 O ALA A1060 -23.733 38.149 13.211 1.00 22.71 O ATOM 835 CB ALA A1060 -22.211 39.002 10.437 1.00 20.57 C ATOM 836 H ALA A1060 -19.895 39.292 11.491 1.00 0.00 H ATOM 837 N LEU A1061 -21.851 36.963 12.851 1.00 22.85 N ATOM 838 CA LEU A1061 -22.315 35.787 13.601 1.00 24.63 C ATOM 839 C LEU A1061 -22.408 36.071 15.099 1.00 26.74 C ATOM 840 O LEU A1061 -23.312 35.577 15.780 1.00 27.24 O ATOM 841 CB LEU A1061 -21.408 34.574 13.366 1.00 24.75 C ATOM 842 CG LEU A1061 -21.140 34.122 11.924 1.00 24.49 C ATOM 843 CD1 LEU A1061 -20.423 32.780 11.916 1.00 24.91 C ATOM 844 CD2 LEU A1061 -22.414 34.057 11.096 1.00 23.91 C ATOM 845 H LEU A1061 -20.911 36.942 12.407 1.00 0.00 H ATOM 846 N GLU A1062 -21.481 36.884 15.596 1.00 27.84 N ATOM 847 CA GLU A1062 -21.439 37.251 17.008 1.00 30.28 C ATOM 848 C GLU A1062 -22.565 38.217 17.371 1.00 30.12 C ATOM 849 O GLU A1062 -23.265 38.013 18.365 1.00 30.61 O ATOM 850 CB GLU A1062 -20.079 37.878 17.334 1.00 32.55 C ATOM 851 CG GLU A1062 -19.879 38.269 18.788 1.00 35.56 C ATOM 852 CD GLU A1062 -18.550 38.971 19.031 1.00 38.92 C ATOM 853 OE1 GLU A1062 -17.672 38.952 18.135 1.00 39.67 O ATOM 854 OE2 GLU A1062 -18.390 39.549 20.126 1.00 42.16 O ATOM 855 H GLU A1062 -20.760 37.273 14.955 1.00 0.00 H ATOM 856 N TYR A1063 -22.741 39.258 16.561 1.00 29.44 N ATOM 857 CA TYR A1063 -23.712 40.308 16.863 1.00 29.91 C ATOM 858 C TYR A1063 -25.162 39.902 16.598 1.00 29.26 C ATOM 859 O TYR A1063 -26.081 40.445 17.219 1.00 28.81 O ATOM 860 CB TYR A1063 -23.398 41.587 16.082 1.00 31.21 C ATOM 861 CG TYR A1063 -24.205 42.762 16.570 1.00 33.09 C ATOM 862 CD1 TYR A1063 -23.851 43.428 17.739 1.00 34.88 C ATOM 863 CD2 TYR A1063 -25.350 43.183 15.892 1.00 34.90 C ATOM 864 CE1 TYR A1063 -24.596 44.497 18.207 1.00 36.72 C ATOM 865 CE2 TYR A1063 -26.101 44.250 16.355 1.00 36.58 C ATOM 866 CZ TYR A1063 -25.716 44.903 17.513 1.00 38.56 C ATOM 867 OH TYR A1063 -26.453 45.963 17.987 1.00 44.36 O ATOM 868 HH TYR A1063 -26.038 46.307 18.817 1.00 0.00 H ATOM 869 H TYR A1063 -22.174 39.326 15.692 1.00 0.00 H ATOM 870 N ASN A1064 -25.369 38.956 15.685 1.00 27.40 N ATOM 871 CA ASN A1064 -26.716 38.507 15.321 1.00 26.64 C ATOM 872 C ASN A1064 -26.875 37.005 15.545 1.00 26.14 C ATOM 873 O ASN A1064 -27.048 36.257 14.590 1.00 24.95 O ATOM 874 CB ASN A1064 -26.999 38.849 13.851 1.00 25.97 C ATOM 875 CG ASN A1064 -26.602 40.269 13.492 1.00 25.78 C ATOM 876 OD1 ASN A1064 -27.365 41.210 13.698 1.00 25.62 O ATOM 877 ND2 ASN A1064 -25.397 40.427 12.946 1.00 25.10 N ATOM 878 HD22 ASN A1064 -24.784 39.601 12.790 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.069 41.376 12.676 1.00 0.00 H ATOM 880 H ASN A1064 -24.549 38.522 15.215 1.00 0.00 H ATOM 881 N PRO A1065 -26.837 36.556 16.815 1.00 27.60 N ATOM 882 CA PRO A1065 -26.807 35.123 17.093 1.00 28.39 C ATOM 883 C PRO A1065 -28.185 34.479 17.267 1.00 29.65 C ATOM 884 O PRO A1065 -28.269 33.269 17.486 1.00 30.37 O ATOM 885 CB PRO A1065 -26.062 35.070 18.423 1.00 29.34 C ATOM 886 CG PRO A1065 -26.537 36.297 19.132 1.00 29.51 C ATOM 887 CD PRO A1065 -26.811 37.336 18.067 1.00 28.37 C ATOM 888 N ASP A1066 -29.251 35.268 17.176 1.00 30.17 N ATOM 889 CA ASP A1066 -30.575 34.800 17.581 1.00 31.31 C ATOM 890 C ASP A1066 -31.273 34.007 16.489 1.00 31.15 C ATOM 891 O ASP A1066 -30.856 34.011 15.324 1.00 29.40 O ATOM 892 CB ASP A1066 -31.451 35.974 18.027 1.00 33.06 C ATOM 893 CG ASP A1066 -30.904 36.679 19.268 1.00 35.56 C ATOM 894 OD1 ASP A1066 -29.962 36.157 19.905 1.00 35.27 O ATOM 895 OD2 ASP A1066 -31.424 37.760 19.612 1.00 38.04 O ATOM 896 H ASP A1066 -29.141 36.235 16.810 1.00 0.00 H ATOM 897 N ARG A1067 -32.341 33.322 16.888 1.00 30.94 N ATOM 898 CA ARG A1067 -33.111 32.486 15.979 1.00 31.60 C ATOM 899 C ARG A1067 -34.012 33.285 15.039 1.00 30.99 C ATOM 900 O ARG A1067 -34.530 32.723 14.081 1.00 30.77 O ATOM 901 CB ARG A1067 -33.978 31.494 16.762 1.00 32.91 C ATOM 902 CG ARG A1067 -35.115 32.145 17.539 1.00 33.69 C ATOM 903 CD ARG A1067 -36.388 31.324 17.479 1.00 34.90 C ATOM 904 NE ARG A1067 -36.870 31.119 16.114 1.00 35.01 N ATOM 905 CZ ARG A1067 -37.697 31.937 15.456 1.00 35.90 C ATOM 906 NH1 ARG A1067 -38.163 33.063 16.011 1.00 35.52 N ATOM 907 NH2 ARG A1067 -38.063 31.627 14.218 1.00 34.24 N ATOM 908 HE ARG A1067 -36.543 30.268 15.615 1.00 0.00 H ATOM 909 HH12 ARG A1067 -38.805 33.680 15.474 1.00 0.00 H ATOM 910 HH11 ARG A1067 -37.882 33.320 16.979 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.706 32.254 13.693 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.707 30.757 13.773 1.00 0.00 H ATOM 913 H ARG A1067 -32.636 33.386 17.883 1.00 0.00 H ATOM 914 N ASP A1068 -34.219 34.575 15.307 1.00 31.90 N ATOM 915 CA ASP A1068 -35.170 35.353 14.512 1.00 33.62 C ATOM 916 C ASP A1068 -34.688 35.462 13.065 1.00 31.06 C ATOM 917 O ASP A1068 -33.485 35.428 12.812 1.00 30.19 O ATOM 918 CB ASP A1068 -35.421 36.745 15.108 1.00 37.30 C ATOM 919 CG ASP A1068 -34.305 37.711 14.823 1.00 41.16 C ATOM 920 OD1 ASP A1068 -33.265 37.626 15.508 1.00 46.37 O ATOM 921 OD2 ASP A1068 -34.467 38.559 13.913 1.00 44.40 O ATOM 922 H ASP A1068 -33.702 35.031 16.086 1.00 0.00 H ATOM 923 N PRO A1069 -35.630 35.575 12.115 1.00 29.39 N ATOM 924 CA PRO A1069 -35.283 35.573 10.692 1.00 27.65 C ATOM 925 C PRO A1069 -34.330 36.688 10.257 1.00 25.75 C ATOM 926 O PRO A1069 -33.532 36.477 9.347 1.00 23.63 O ATOM 927 CB PRO A1069 -36.641 35.695 9.984 1.00 28.55 C ATOM 928 CG PRO A1069 -37.627 36.042 11.042 1.00 29.99 C ATOM 929 CD PRO A1069 -37.087 35.526 12.328 1.00 30.23 C ATOM 930 N GLY A1070 -34.411 37.859 10.885 1.00 25.19 N ATOM 931 CA GLY A1070 -33.458 38.931 10.598 1.00 25.06 C ATOM 932 C GLY A1070 -32.028 38.488 10.873 1.00 24.57 C ATOM 933 O GLY A1070 -31.146 38.634 10.020 1.00 23.28 O ATOM 934 H GLY A1070 -35.161 38.014 11.588 1.00 0.00 H ATOM 935 N ASP A1071 -31.808 37.928 12.062 1.00 25.03 N ATOM 936 CA ASP A1071 -30.497 37.389 12.441 1.00 25.29 C ATOM 937 C ASP A1071 -30.067 36.235 11.543 1.00 24.36 C ATOM 938 O ASP A1071 -28.918 36.183 11.116 1.00 24.02 O ATOM 939 CB ASP A1071 -30.488 36.918 13.901 1.00 27.03 C ATOM 940 CG ASP A1071 -30.411 38.068 14.891 1.00 28.48 C ATOM 941 OD1 ASP A1071 -30.956 39.153 14.597 1.00 31.69 O ATOM 942 OD2 ASP A1071 -29.806 37.886 15.965 1.00 27.89 O ATOM 943 H ASP A1071 -32.591 37.871 12.744 1.00 0.00 H ATOM 944 N ARG A1072 -30.976 35.306 11.262 1.00 24.18 N ATOM 945 CA ARG A1072 -30.623 34.150 10.444 1.00 24.46 C ATOM 946 C ARG A1072 -30.289 34.548 9.000 1.00 23.23 C ATOM 947 O ARG A1072 -29.408 33.941 8.381 1.00 22.15 O ATOM 948 CB ARG A1072 -31.715 33.076 10.491 1.00 26.38 C ATOM 949 CG ARG A1072 -31.710 32.288 11.792 1.00 28.33 C ATOM 950 CD ARG A1072 -32.776 31.206 11.831 1.00 30.99 C ATOM 951 NE ARG A1072 -32.650 30.380 13.036 1.00 32.81 N ATOM 952 CZ ARG A1072 -33.619 29.629 13.564 1.00 35.38 C ATOM 953 NH1 ARG A1072 -34.831 29.581 13.019 1.00 36.51 N ATOM 954 NH2 ARG A1072 -33.376 28.923 14.663 1.00 36.90 N ATOM 955 HE ARG A1072 -31.729 30.379 13.519 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.571 28.989 13.448 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.039 30.136 12.164 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.126 28.336 15.080 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.436 28.958 15.106 1.00 0.00 H ATOM 960 H ARG A1072 -31.945 35.404 11.627 1.00 0.00 H ATOM 961 N LEU A1073 -30.969 35.574 8.479 1.00 22.59 N ATOM 962 CA LEU A1073 -30.682 36.086 7.134 1.00 22.12 C ATOM 963 C LEU A1073 -29.270 36.673 7.048 1.00 21.79 C ATOM 964 O LEU A1073 -28.511 36.329 6.140 1.00 20.94 O ATOM 965 CB LEU A1073 -31.720 37.130 6.705 1.00 21.98 C ATOM 966 CG LEU A1073 -31.542 37.791 5.331 1.00 21.61 C ATOM 967 CD1 LEU A1073 -31.564 36.771 4.203 1.00 21.84 C ATOM 968 CD2 LEU A1073 -32.618 38.846 5.115 1.00 22.23 C ATOM 969 H LEU A1073 -31.721 36.021 9.041 1.00 0.00 H ATOM 970 N ILE A1074 -28.920 37.550 7.987 1.00 22.15 N ATOM 971 CA ILE A1074 -27.592 38.175 7.988 1.00 22.22 C ATOM 972 C ILE A1074 -26.472 37.151 8.186 1.00 21.33 C ATOM 973 O ILE A1074 -25.430 37.252 7.535 1.00 20.53 O ATOM 974 CB ILE A1074 -27.467 39.317 9.028 1.00 23.55 C ATOM 975 CG1 ILE A1074 -26.190 40.122 8.780 1.00 24.03 C ATOM 976 CG2 ILE A1074 -27.464 38.779 10.449 1.00 24.67 C ATOM 977 CD1 ILE A1074 -26.147 41.449 9.507 1.00 25.18 C ATOM 978 H ILE A1074 -29.601 37.797 8.734 1.00 0.00 H ATOM 979 N ARG A1075 -26.689 36.159 9.052 1.00 21.13 N ATOM 980 CA ARG A1075 -25.692 35.101 9.265 1.00 20.80 C ATOM 981 C ARG A1075 -25.497 34.272 7.993 1.00 20.17 C ATOM 982 O ARG A1075 -24.370 33.914 7.657 1.00 18.98 O ATOM 983 CB ARG A1075 -26.076 34.183 10.438 1.00 21.73 C ATOM 984 CG ARG A1075 -26.003 34.841 11.810 1.00 22.50 C ATOM 985 CD ARG A1075 -25.693 33.832 12.909 1.00 23.96 C ATOM 986 NE ARG A1075 -26.663 32.743 12.991 1.00 25.09 N ATOM 987 CZ ARG A1075 -27.880 32.835 13.525 1.00 26.21 C ATOM 988 NH1 ARG A1075 -28.324 33.979 14.037 1.00 26.87 N ATOM 989 NH2 ARG A1075 -28.671 31.769 13.541 1.00 27.35 N ATOM 990 HE ARG A1075 -26.381 31.821 12.601 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.278 34.029 14.449 1.00 0.00 H ATOM 992 HH11 ARG A1075 -27.718 34.824 14.025 1.00 0.00 H ATOM 993 HH22 ARG A1075 -29.622 31.834 13.956 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.339 30.869 13.138 1.00 0.00 H ATOM 995 H ARG A1075 -27.581 36.134 9.586 1.00 0.00 H ATOM 996 N HIS A1076 -26.592 33.968 7.293 1.00 19.93 N ATOM 997 CA HIS A1076 -26.509 33.247 6.020 1.00 20.06 C ATOM 998 C HIS A1076 -25.744 34.040 4.987 1.00 19.33 C ATOM 999 O HIS A1076 -24.902 33.491 4.265 1.00 18.20 O ATOM 1000 CB HIS A1076 -27.897 32.895 5.495 1.00 20.80 C ATOM 1001 CG HIS A1076 -27.882 31.943 4.322 1.00 21.74 C ATOM 1002 ND1 HIS A1076 -27.882 32.367 3.041 1.00 21.70 N ATOM 1003 CD2 HIS A1076 -27.857 30.547 4.274 1.00 22.50 C ATOM 1004 CE1 HIS A1076 -27.857 31.298 2.216 1.00 22.39 C ATOM 1005 NE2 HIS A1076 -27.840 30.187 2.973 1.00 22.43 N ATOM 1006 H HIS A1076 -27.524 34.249 7.659 1.00 0.00 H ATOM 1007 N ARG A1077 -26.021 35.340 4.916 1.00 18.85 N ATOM 1008 CA ARG A1077 -25.300 36.237 4.011 1.00 18.37 C ATOM 1009 C ARG A1077 -23.823 36.375 4.369 1.00 17.67 C ATOM 1010 O ARG A1077 -22.977 36.442 3.474 1.00 16.95 O ATOM 1011 CB ARG A1077 -25.952 37.617 3.995 1.00 18.86 C ATOM 1012 CG ARG A1077 -27.296 37.630 3.293 1.00 19.41 C ATOM 1013 CD ARG A1077 -28.069 38.897 3.589 1.00 19.99 C ATOM 1014 NE ARG A1077 -29.168 39.076 2.649 1.00 20.90 N ATOM 1015 CZ ARG A1077 -30.050 40.073 2.695 1.00 21.89 C ATOM 1016 NH1 ARG A1077 -29.980 41.005 3.640 1.00 22.03 N ATOM 1017 NH2 ARG A1077 -31.010 40.133 1.784 1.00 22.78 N ATOM 1018 HE ARG A1077 -29.271 38.375 1.888 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.677 41.777 3.662 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.229 40.962 4.358 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -31.704 40.907 1.810 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.069 39.406 1.043 1.00 0.00 H ATOM 1023 H ARG A1077 -26.772 35.730 5.521 1.00 0.00 H ATOM 1024 N ALA A1078 -23.523 36.410 5.668 1.00 17.93 N ATOM 1025 CA ALA A1078 -22.142 36.514 6.156 1.00 17.94 C ATOM 1026 C ALA A1078 -21.314 35.292 5.762 1.00 18.47 C ATOM 1027 O ALA A1078 -20.182 35.414 5.278 1.00 17.81 O ATOM 1028 CB ALA A1078 -22.135 36.694 7.669 1.00 18.09 C ATOM 1029 H ALA A1078 -24.296 36.362 6.362 1.00 0.00 H ATOM 1030 N CYS A1079 -21.887 34.112 5.972 1.00 19.90 N ATOM 1031 CA CYS A1079 -21.253 32.866 5.559 1.00 21.08 C ATOM 1032 C CYS A1079 -21.097 32.801 4.042 1.00 20.23 C ATOM 1033 O CYS A1079 -20.094 32.295 3.548 1.00 19.51 O ATOM 1034 CB CYS A1079 -22.046 31.661 6.080 1.00 23.40 C ATOM 1035 SG CYS A1079 -21.820 31.397 7.857 1.00 27.15 S ATOM 1036 H CYS A1079 -22.813 34.076 6.444 1.00 0.00 H ATOM 1037 N ALA A1080 -22.081 33.329 3.314 1.00 19.97 N ATOM 1038 CA ALA A1080 -22.023 33.384 1.848 1.00 20.45 C ATOM 1039 C ALA A1080 -20.921 34.327 1.348 1.00 20.04 C ATOM 1040 O ALA A1080 -20.245 34.023 0.366 1.00 19.58 O ATOM 1041 CB ALA A1080 -23.375 33.793 1.275 1.00 20.46 C ATOM 1042 H ALA A1080 -22.916 33.714 3.800 1.00 0.00 H ATOM 1043 N LEU A1081 -20.758 35.469 2.014 1.00 19.69 N ATOM 1044 CA LEU A1081 -19.663 36.400 1.718 1.00 19.37 C ATOM 1045 C LEU A1081 -18.317 35.710 1.910 1.00 19.27 C ATOM 1046 O LEU A1081 -17.454 35.762 1.029 1.00 18.51 O ATOM 1047 CB LEU A1081 -19.745 37.641 2.621 1.00 19.49 C ATOM 1048 CG LEU A1081 -18.593 38.655 2.521 1.00 19.85 C ATOM 1049 CD1 LEU A1081 -18.614 39.375 1.185 1.00 20.37 C ATOM 1050 CD2 LEU A1081 -18.642 39.652 3.671 1.00 20.31 C ATOM 1051 H LEU A1081 -21.430 35.709 2.770 1.00 0.00 H ATOM 1052 N ARG A1082 -18.148 35.082 3.074 1.00 19.79 N ATOM 1053 CA ARG A1082 -16.931 34.344 3.405 1.00 19.70 C ATOM 1054 C ARG A1082 -16.656 33.269 2.356 1.00 20.09 C ATOM 1055 O ARG A1082 -15.581 33.226 1.757 1.00 19.28 O ATOM 1056 CB ARG A1082 -17.078 33.704 4.792 1.00 20.09 C ATOM 1057 CG ARG A1082 -15.953 32.768 5.215 1.00 20.20 C ATOM 1058 CD ARG A1082 -16.426 31.846 6.329 1.00 20.97 C ATOM 1059 NE ARG A1082 -17.452 30.917 5.866 1.00 21.01 N ATOM 1060 CZ ARG A1082 -18.283 30.262 6.667 1.00 21.73 C ATOM 1061 NH1 ARG A1082 -18.224 30.442 7.979 1.00 22.51 N ATOM 1062 NH2 ARG A1082 -19.181 29.436 6.157 1.00 21.98 N ATOM 1063 HE ARG A1082 -17.537 30.758 4.842 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -18.876 29.927 8.604 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -17.525 31.098 8.383 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -19.832 28.923 6.785 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -19.236 29.299 5.128 1.00 0.00 H ATOM 1068 H ARG A1082 -18.915 35.119 3.776 1.00 0.00 H ATOM 1069 N ASP A1083 -17.640 32.400 2.139 1.00 20.63 N ATOM 1070 CA ASP A1083 -17.496 31.298 1.181 1.00 21.38 C ATOM 1071 C ASP A1083 -17.191 31.785 -0.243 1.00 19.91 C ATOM 1072 O ASP A1083 -16.356 31.203 -0.937 1.00 19.62 O ATOM 1073 CB ASP A1083 -18.757 30.428 1.164 1.00 23.24 C ATOM 1074 CG ASP A1083 -18.951 29.641 2.450 1.00 25.63 C ATOM 1075 OD1 ASP A1083 -18.050 29.632 3.314 1.00 27.77 O ATOM 1076 OD2 ASP A1083 -20.026 29.033 2.599 1.00 28.01 O ATOM 1077 H ASP A1083 -18.533 32.504 2.661 1.00 0.00 H ATOM 1078 N THR A1084 -17.860 32.853 -0.666 1.00 18.65 N ATOM 1079 CA THR A1084 -17.664 33.404 -2.003 1.00 18.22 C ATOM 1080 C THR A1084 -16.249 33.951 -2.199 1.00 17.50 C ATOM 1081 O THR A1084 -15.620 33.699 -3.229 1.00 17.37 O ATOM 1082 CB THR A1084 -18.696 34.505 -2.312 1.00 17.85 C ATOM 1083 OG1 THR A1084 -20.013 33.937 -2.291 1.00 17.75 O ATOM 1084 CG2 THR A1084 -18.431 35.130 -3.681 1.00 17.65 C ATOM 1085 HG1 THR A1084 -20.192 33.555 -1.395 1.00 0.00 H ATOM 1086 H THR A1084 -18.542 33.308 -0.026 1.00 0.00 H ATOM 1087 N ALA A1085 -15.749 34.678 -1.205 1.00 16.98 N ATOM 1088 CA ALA A1085 -14.393 35.220 -1.252 1.00 16.69 C ATOM 1089 C ALA A1085 -13.365 34.097 -1.334 1.00 16.90 C ATOM 1090 O ALA A1085 -12.472 34.128 -2.182 1.00 16.28 O ATOM 1091 CB ALA A1085 -14.129 36.101 -0.040 1.00 16.01 C ATOM 1092 H ALA A1085 -16.340 34.866 -0.370 1.00 0.00 H ATOM 1093 N TYR A1086 -13.499 33.097 -0.466 1.00 17.56 N ATOM 1094 CA TYR A1086 -12.575 31.957 -0.477 1.00 18.27 C ATOM 1095 C TYR A1086 -12.605 31.212 -1.817 1.00 17.93 C ATOM 1096 O TYR A1086 -11.562 30.796 -2.318 1.00 17.77 O ATOM 1097 CB TYR A1086 -12.857 30.996 0.692 1.00 19.62 C ATOM 1098 CG TYR A1086 -12.158 31.377 1.983 1.00 20.48 C ATOM 1099 CD1 TYR A1086 -12.700 32.328 2.845 1.00 20.68 C ATOM 1100 CD2 TYR A1086 -10.951 30.784 2.346 1.00 21.74 C ATOM 1101 CE1 TYR A1086 -12.062 32.678 4.026 1.00 20.49 C ATOM 1102 CE2 TYR A1086 -10.310 31.123 3.529 1.00 21.61 C ATOM 1103 CZ TYR A1086 -10.869 32.072 4.364 1.00 21.48 C ATOM 1104 OH TYR A1086 -10.228 32.415 5.537 1.00 22.13 O ATOM 1105 HH TYR A1086 -10.758 33.103 6.013 1.00 0.00 H ATOM 1106 H TYR A1086 -14.271 33.124 0.231 1.00 0.00 H ATOM 1107 N ALA A1087 -13.793 31.073 -2.400 1.00 17.79 N ATOM 1108 CA ALA A1087 -13.967 30.353 -3.658 1.00 18.01 C ATOM 1109 C ALA A1087 -13.333 31.103 -4.832 1.00 17.93 C ATOM 1110 O ALA A1087 -12.684 30.491 -5.679 1.00 18.04 O ATOM 1111 CB ALA A1087 -15.448 30.104 -3.929 1.00 18.15 C ATOM 1112 H ALA A1087 -14.628 31.492 -1.943 1.00 0.00 H ATOM 1113 N ILE A1088 -13.522 32.422 -4.880 1.00 17.67 N ATOM 1114 CA ILE A1088 -12.880 33.242 -5.913 1.00 17.85 C ATOM 1115 C ILE A1088 -11.364 33.109 -5.805 1.00 18.00 C ATOM 1116 O ILE A1088 -10.681 32.881 -6.809 1.00 18.10 O ATOM 1117 CB ILE A1088 -13.282 34.730 -5.806 1.00 17.35 C ATOM 1118 CG1 ILE A1088 -14.750 34.909 -6.205 1.00 17.66 C ATOM 1119 CG2 ILE A1088 -12.379 35.597 -6.684 1.00 17.08 C ATOM 1120 CD1 ILE A1088 -15.337 36.259 -5.836 1.00 17.13 C ATOM 1121 H ILE A1088 -14.135 32.877 -4.173 1.00 0.00 H ATOM 1122 N ILE A1089 -10.855 33.211 -4.578 1.00 18.47 N ATOM 1123 CA ILE A1089 -9.417 33.120 -4.300 1.00 19.16 C ATOM 1124 C ILE A1089 -8.852 31.745 -4.675 1.00 20.74 C ATOM 1125 O ILE A1089 -7.822 31.657 -5.342 1.00 20.69 O ATOM 1126 CB ILE A1089 -9.113 33.462 -2.815 1.00 19.03 C ATOM 1127 CG1 ILE A1089 -9.324 34.959 -2.573 1.00 18.90 C ATOM 1128 CG2 ILE A1089 -7.683 33.102 -2.449 1.00 19.12 C ATOM 1129 CD1 ILE A1089 -9.158 35.381 -1.127 1.00 18.71 C ATOM 1130 H ILE A1089 -11.506 33.362 -3.781 1.00 0.00 H ATOM 1131 N LYS A1090 -9.525 30.677 -4.260 1.00 22.46 N ATOM 1132 CA LYS A1090 -9.085 29.324 -4.612 1.00 24.76 C ATOM 1133 C LYS A1090 -8.942 29.155 -6.126 1.00 24.65 C ATOM 1134 O LYS A1090 -8.017 28.500 -6.602 1.00 24.73 O ATOM 1135 CB LYS A1090 -10.052 28.269 -4.060 1.00 27.28 C ATOM 1136 CG LYS A1090 -9.511 26.848 -4.158 1.00 29.89 C ATOM 1137 CD LYS A1090 -10.531 25.809 -3.720 1.00 32.45 C ATOM 1138 CE LYS A1090 -9.948 24.404 -3.829 1.00 34.50 C ATOM 1139 NZ LYS A1090 -10.924 23.355 -3.417 1.00 36.90 N ATOM 1140 HZ1 LYS A1090 -11.204 23.513 -2.428 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -11.764 23.405 -4.029 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -10.483 22.418 -3.508 1.00 0.00 H ATOM 1143 H LYS A1090 -10.377 30.803 -3.677 1.00 0.00 H ATOM 1144 N GLU A1091 -9.850 29.773 -6.871 1.00 24.64 N ATOM 1145 CA GLU A1091 -9.882 29.651 -8.321 1.00 25.96 C ATOM 1146 C GLU A1091 -8.867 30.560 -9.021 1.00 24.07 C ATOM 1147 O GLU A1091 -8.225 30.143 -9.984 1.00 24.67 O ATOM 1148 CB GLU A1091 -11.296 29.957 -8.821 1.00 29.65 C ATOM 1149 CG GLU A1091 -11.639 29.366 -10.178 1.00 34.83 C ATOM 1150 CD GLU A1091 -13.126 29.067 -10.318 1.00 39.72 C ATOM 1151 OE1 GLU A1091 -13.954 29.911 -9.905 1.00 42.22 O ATOM 1152 OE2 GLU A1091 -13.472 27.982 -10.836 1.00 43.70 O ATOM 1153 H GLU A1091 -10.564 30.366 -6.402 1.00 0.00 H ATOM 1154 N GLU A1092 -8.712 31.786 -8.529 1.00 20.89 N ATOM 1155 CA GLU A1092 -8.036 32.844 -9.288 1.00 20.61 C ATOM 1156 C GLU A1092 -6.702 33.324 -8.704 1.00 20.43 C ATOM 1157 O GLU A1092 -5.953 34.014 -9.387 1.00 21.59 O ATOM 1158 CB GLU A1092 -8.990 34.031 -9.459 1.00 19.57 C ATOM 1159 CG GLU A1092 -10.310 33.654 -10.126 1.00 19.09 C ATOM 1160 CD GLU A1092 -11.278 34.817 -10.244 1.00 18.59 C ATOM 1161 OE1 GLU A1092 -10.836 35.985 -10.262 1.00 18.19 O ATOM 1162 OE2 GLU A1092 -12.500 34.569 -10.308 1.00 17.66 O ATOM 1163 H GLU A1092 -9.080 32.000 -7.580 1.00 0.00 H ATOM 1164 N LEU A1093 -6.402 32.964 -7.459 1.00 20.18 N ATOM 1165 CA LEU A1093 -5.101 33.255 -6.863 1.00 20.51 C ATOM 1166 C LEU A1093 -4.114 32.140 -7.189 1.00 21.89 C ATOM 1167 O LEU A1093 -4.342 30.982 -6.839 1.00 22.82 O ATOM 1168 CB LEU A1093 -5.218 33.389 -5.338 1.00 20.61 C ATOM 1169 CG LEU A1093 -3.912 33.597 -4.556 1.00 20.95 C ATOM 1170 CD1 LEU A1093 -3.197 34.850 -5.022 1.00 20.18 C ATOM 1171 CD2 LEU A1093 -4.164 33.646 -3.055 1.00 21.05 C ATOM 1172 H LEU A1093 -7.115 32.461 -6.894 1.00 0.00 H ATOM 1173 N ASP A1094 -3.015 32.484 -7.847 1.00 21.89 N ATOM 1174 CA ASP A1094 -1.938 31.525 -8.052 1.00 23.26 C ATOM 1175 C ASP A1094 -1.201 31.294 -6.733 1.00 22.50 C ATOM 1176 O ASP A1094 -0.754 32.243 -6.093 1.00 20.53 O ATOM 1177 CB ASP A1094 -0.971 32.017 -9.122 1.00 24.58 C ATOM 1178 CG ASP A1094 0.043 30.971 -9.495 1.00 25.98 C ATOM 1179 OD1 ASP A1094 0.884 30.638 -8.641 1.00 27.19 O ATOM 1180 OD2 ASP A1094 0.006 30.480 -10.640 1.00 27.20 O ATOM 1181 H ASP A1094 -2.921 33.450 -8.221 1.00 0.00 H ATOM 1182 N GLU A1095 -1.087 30.028 -6.335 1.00 23.86 N ATOM 1183 CA GLU A1095 -0.429 29.658 -5.076 1.00 25.51 C ATOM 1184 C GLU A1095 1.017 30.153 -4.990 1.00 23.78 C ATOM 1185 O GLU A1095 1.482 30.528 -3.914 1.00 23.21 O ATOM 1186 CB GLU A1095 -0.454 28.139 -4.881 1.00 29.50 C ATOM 1187 CG GLU A1095 -1.834 27.574 -4.577 1.00 33.32 C ATOM 1188 CD GLU A1095 -1.874 26.052 -4.628 1.00 38.89 C ATOM 1189 OE1 GLU A1095 -0.800 25.416 -4.505 1.00 42.49 O ATOM 1190 OE2 GLU A1095 -2.983 25.492 -4.799 1.00 41.89 O ATOM 1191 H GLU A1095 -1.478 29.275 -6.937 1.00 0.00 H ATOM 1192 N ASP A1096 1.723 30.151 -6.116 1.00 22.85 N ATOM 1193 CA ASP A1096 3.110 30.618 -6.143 1.00 23.00 C ATOM 1194 C ASP A1096 3.205 32.132 -6.014 1.00 21.74 C ATOM 1195 O ASP A1096 4.218 32.653 -5.540 1.00 20.80 O ATOM 1196 CB ASP A1096 3.820 30.155 -7.416 1.00 24.32 C ATOM 1197 CG ASP A1096 4.072 28.663 -7.429 1.00 26.15 C ATOM 1198 OD1 ASP A1096 4.236 28.074 -6.344 1.00 26.81 O ATOM 1199 OD2 ASP A1096 4.108 28.079 -8.527 1.00 27.95 O ATOM 1200 H ASP A1096 1.282 29.811 -6.994 1.00 0.00 H ATOM 1201 N PHE A1097 2.157 32.838 -6.443 1.00 20.77 N ATOM 1202 CA PHE A1097 2.100 34.278 -6.263 1.00 19.95 C ATOM 1203 C PHE A1097 1.940 34.593 -4.776 1.00 19.96 C ATOM 1204 O PHE A1097 2.660 35.434 -4.235 1.00 19.80 O ATOM 1205 CB PHE A1097 0.958 34.904 -7.067 1.00 19.23 C ATOM 1206 CG PHE A1097 0.870 36.389 -6.909 1.00 18.64 C ATOM 1207 CD1 PHE A1097 1.657 37.233 -7.688 1.00 19.01 C ATOM 1208 CD2 PHE A1097 0.038 36.947 -5.950 1.00 18.52 C ATOM 1209 CE1 PHE A1097 1.591 38.606 -7.525 1.00 18.68 C ATOM 1210 CE2 PHE A1097 -0.028 38.317 -5.783 1.00 18.22 C ATOM 1211 CZ PHE A1097 0.745 39.147 -6.569 1.00 17.97 C ATOM 1212 H PHE A1097 1.369 32.349 -6.914 1.00 0.00 H ATOM 1213 N GLU A1098 0.996 33.913 -4.129 1.00 20.19 N ATOM 1214 CA GLU A1098 0.780 34.065 -2.695 1.00 20.57 C ATOM 1215 C GLU A1098 2.029 33.698 -1.904 1.00 21.29 C ATOM 1216 O GLU A1098 2.376 34.386 -0.949 1.00 21.87 O ATOM 1217 CB GLU A1098 -0.401 33.209 -2.227 1.00 20.65 C ATOM 1218 CG GLU A1098 -0.625 33.190 -0.714 1.00 21.04 C ATOM 1219 CD GLU A1098 -0.968 34.549 -0.112 1.00 21.16 C ATOM 1220 OE1 GLU A1098 -1.201 35.520 -0.860 1.00 20.89 O ATOM 1221 OE2 GLU A1098 -1.029 34.644 1.134 1.00 21.96 O ATOM 1222 H GLU A1098 0.394 33.253 -4.662 1.00 0.00 H ATOM 1223 N GLN A1099 2.700 32.618 -2.297 1.00 21.46 N ATOM 1224 CA GLN A1099 3.920 32.202 -1.614 1.00 22.37 C ATOM 1225 C GLN A1099 4.999 33.283 -1.711 1.00 21.86 C ATOM 1226 O GLN A1099 5.680 33.566 -0.724 1.00 22.01 O ATOM 1227 CB GLN A1099 4.429 30.867 -2.171 1.00 23.89 C ATOM 1228 CG GLN A1099 5.604 30.274 -1.397 1.00 25.12 C ATOM 1229 CD GLN A1099 5.262 29.963 0.047 1.00 25.86 C ATOM 1230 OE1 GLN A1099 4.155 29.527 0.350 1.00 26.80 O ATOM 1231 NE2 GLN A1099 6.215 30.183 0.946 1.00 26.71 N ATOM 1232 HE22 GLN A1099 7.139 30.553 0.644 1.00 0.00 H ATOM 1233 HE21 GLN A1099 6.037 29.985 1.951 1.00 0.00 H ATOM 1234 H GLN A1099 2.349 32.062 -3.103 1.00 0.00 H ATOM 1235 N LEU A1100 5.139 33.894 -2.890 1.00 21.21 N ATOM 1236 CA LEU A1100 6.076 35.009 -3.078 1.00 21.13 C ATOM 1237 C LEU A1100 5.764 36.165 -2.123 1.00 21.06 C ATOM 1238 O LEU A1100 6.659 36.687 -1.460 1.00 20.69 O ATOM 1239 CB LEU A1100 6.069 35.503 -4.532 1.00 20.36 C ATOM 1240 CG LEU A1100 6.977 36.693 -4.868 1.00 20.27 C ATOM 1241 CD1 LEU A1100 8.403 36.477 -4.369 1.00 21.18 C ATOM 1242 CD2 LEU A1100 6.975 36.965 -6.364 1.00 20.17 C ATOM 1243 H LEU A1100 4.569 33.571 -3.698 1.00 0.00 H ATOM 1244 N CYS A1101 4.490 36.549 -2.053 1.00 21.25 N ATOM 1245 CA CYS A1101 4.047 37.626 -1.164 1.00 21.58 C ATOM 1246 C CYS A1101 4.420 37.342 0.281 1.00 22.86 C ATOM 1247 O CYS A1101 4.935 38.218 0.979 1.00 23.64 O ATOM 1248 CB CYS A1101 2.532 37.824 -1.264 1.00 20.57 C ATOM 1249 SG CYS A1101 1.987 38.554 -2.821 1.00 19.85 S ATOM 1250 H CYS A1101 3.787 36.068 -2.649 1.00 0.00 H ATOM 1251 N GLU A1102 4.163 36.115 0.722 1.00 24.53 N ATOM 1252 CA GLU A1102 4.451 35.717 2.095 1.00 27.07 C ATOM 1253 C GLU A1102 5.949 35.778 2.390 1.00 28.01 C ATOM 1254 O GLU A1102 6.359 36.217 3.469 1.00 28.97 O ATOM 1255 CB GLU A1102 3.890 34.318 2.380 1.00 28.98 C ATOM 1256 CG GLU A1102 2.365 34.274 2.386 1.00 30.29 C ATOM 1257 CD GLU A1102 1.794 32.897 2.676 1.00 33.15 C ATOM 1258 OE1 GLU A1102 2.567 31.990 3.047 1.00 36.51 O ATOM 1259 OE2 GLU A1102 0.562 32.720 2.532 1.00 33.30 O ATOM 1260 H GLU A1102 3.745 35.420 0.071 1.00 0.00 H ATOM 1261 N GLU A1103 6.765 35.361 1.424 1.00 27.70 N ATOM 1262 CA GLU A1103 8.214 35.360 1.605 1.00 28.61 C ATOM 1263 C GLU A1103 8.798 36.777 1.610 1.00 29.97 C ATOM 1264 O GLU A1103 9.734 37.043 2.357 1.00 33.41 O ATOM 1265 CB GLU A1103 8.900 34.432 0.580 1.00 27.40 C ATOM 1266 CG GLU A1103 8.671 32.961 0.923 1.00 27.64 C ATOM 1267 CD GLU A1103 9.283 31.967 -0.054 1.00 27.69 C ATOM 1268 OE1 GLU A1103 10.149 32.349 -0.866 1.00 26.44 O ATOM 1269 OE2 GLU A1103 8.891 30.779 0.001 1.00 28.01 O ATOM 1270 H GLU A1103 6.363 35.030 0.524 1.00 0.00 H ATOM 1271 N ILE A1104 8.234 37.691 0.824 1.00 29.59 N ATOM 1272 CA ILE A1104 8.657 39.096 0.878 1.00 31.13 C ATOM 1273 C ILE A1104 8.277 39.707 2.233 1.00 34.69 C ATOM 1274 O ILE A1104 9.100 40.366 2.870 1.00 37.40 O ATOM 1275 CB ILE A1104 8.034 39.953 -0.244 1.00 30.13 C ATOM 1276 CG1 ILE A1104 8.451 39.448 -1.628 1.00 29.11 C ATOM 1277 CG2 ILE A1104 8.473 41.408 -0.107 1.00 30.00 C ATOM 1278 CD1 ILE A1104 7.683 40.097 -2.760 1.00 28.22 C ATOM 1279 H ILE A1104 7.484 37.406 0.163 1.00 0.00 H ATOM 1280 N GLN A1105 7.036 39.476 2.666 1.00 36.30 N ATOM 1281 CA GLN A1105 6.536 39.982 3.953 1.00 38.82 C ATOM 1282 C GLN A1105 7.413 39.534 5.121 1.00 41.03 C ATOM 1283 O GLN A1105 7.785 40.341 5.973 1.00 40.95 O ATOM 1284 CB GLN A1105 5.094 39.511 4.196 1.00 38.57 C ATOM 1285 CG GLN A1105 4.465 40.036 5.483 1.00 39.60 C ATOM 1286 CD GLN A1105 3.146 39.362 5.819 1.00 40.74 C ATOM 1287 OE1 GLN A1105 3.035 38.135 5.790 1.00 42.04 O ATOM 1288 NE2 GLN A1105 2.140 40.164 6.159 1.00 39.24 N ATOM 1289 HE22 GLN A1105 2.278 41.195 6.170 1.00 0.00 H ATOM 1290 HE21 GLN A1105 1.216 39.760 6.414 1.00 0.00 H ATOM 1291 H GLN A1105 6.396 38.915 2.068 1.00 0.00 H ATOM 1292 N GLU A1106 7.726 38.243 5.154 1.00 43.19 N ATOM 1293 CA GLU A1106 8.538 37.659 6.222 1.00 46.49 C ATOM 1294 C GLU A1106 9.985 38.160 6.225 1.00 48.05 C ATOM 1295 O GLU A1106 10.626 38.193 7.274 1.00 49.03 O ATOM 1296 CB GLU A1106 8.507 36.131 6.123 1.00 49.26 C ATOM 1297 CG GLU A1106 7.172 35.542 6.553 1.00 52.10 C ATOM 1298 CD GLU A1106 6.983 34.089 6.152 1.00 55.80 C ATOM 1299 OE1 GLU A1106 7.724 33.590 5.278 1.00 57.02 O ATOM 1300 OE2 GLU A1106 6.070 33.446 6.712 1.00 58.27 O ATOM 1301 H GLU A1106 7.381 37.625 4.392 1.00 0.00 H ATOM 1302 N SER A1107 10.489 38.555 5.057 1.00 49.35 N ATOM 1303 CA SER A1107 11.851 39.089 4.942 1.00 52.48 C ATOM 1304 C SER A1107 11.980 40.506 5.507 1.00 54.10 C ATOM 1305 O SER A1107 13.085 40.942 5.825 1.00 57.21 O ATOM 1306 CB SER A1107 12.308 39.091 3.479 1.00 50.41 C ATOM 1307 OG SER A1107 11.679 40.133 2.747 1.00 49.40 O ATOM 1308 HG SER A1107 11.992 40.110 1.808 1.00 0.00 H ATOM 1309 H SER A1107 9.901 38.483 4.202 1.00 0.00 H ATOM 1310 N ARG A1108 10.860 41.219 5.616 1.00 55.62 N ATOM 1311 CA ARG A1108 10.862 42.605 6.092 1.00 58.79 C ATOM 1312 C ARG A1108 10.636 42.694 7.599 1.00 60.59 C ATOM 1313 O ARG A1108 10.109 41.780 8.236 1.00 60.46 O ATOM 1314 CB ARG A1108 9.808 43.426 5.340 1.00 58.69 C ATOM 1315 CG ARG A1108 10.132 43.564 3.861 1.00 59.43 C ATOM 1316 CD ARG A1108 9.134 44.419 3.097 1.00 58.18 C ATOM 1317 NE ARG A1108 9.555 44.584 1.704 1.00 57.09 N ATOM 1318 CZ ARG A1108 8.925 45.328 0.796 1.00 56.68 C ATOM 1319 NH1 ARG A1108 7.820 46.001 1.111 1.00 57.18 N ATOM 1320 NH2 ARG A1108 9.405 45.400 -0.442 1.00 56.25 N ATOM 1321 OXT ARG A1108 10.994 43.693 8.218 1.00 62.49 O ATOM 1322 HE ARG A1108 10.413 44.081 1.400 1.00 0.00 H ATOM 1323 HH12 ARG A1108 7.339 46.578 0.391 1.00 0.00 H ATOM 1324 HH11 ARG A1108 7.438 45.950 2.077 1.00 0.00 H ATOM 1325 HH22 ARG A1108 8.918 45.979 -1.156 1.00 0.00 H ATOM 1326 HH21 ARG A1108 10.267 44.877 -0.697 1.00 0.00 H ATOM 1327 H ARG A1108 9.955 40.778 5.355 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -35.003 32.199 9.108 1.00 22.38 O HETATM 1330 O HOH 2 -42.619 34.705 15.272 1.00 47.95 O HETATM 1331 O HOH 3 14.369 37.993 0.166 1.00 33.73 O HETATM 1332 O HOH 4 4.917 48.472 -1.694 1.00 46.11 O HETATM 1333 O HOH 5 4.645 51.871 -3.551 1.00 45.08 O HETATM 1334 O HOH 6 -7.056 40.553 -10.635 1.00 15.58 O HETATM 1335 O HOH 7 -11.339 49.860 -5.100 1.00 41.85 O HETATM 1336 O HOH 8 -19.019 36.663 -7.256 1.00 38.46 O HETATM 1337 O HOH 9 -18.322 33.945 -7.383 1.00 38.28 O HETATM 1338 O HOH 10 -20.138 49.803 -1.908 1.00 39.72 O HETATM 1339 O HOH 11 -29.466 38.211 -4.619 1.00 40.64 O HETATM 1340 O HOH 12 -20.990 34.594 -6.747 1.00 43.15 O HETATM 1341 O HOH 13 -16.781 51.571 12.306 1.00 53.90 O HETATM 1342 O HOH 14 -18.655 50.263 15.090 1.00 60.34 O HETATM 1343 O HOH 15 -14.212 50.890 16.845 1.00 42.30 O HETATM 1344 O HOH 16 -14.054 40.858 21.125 1.00 55.73 O HETATM 1345 O HOH 17 -9.599 50.127 16.461 1.00 43.58 O HETATM 1346 O HOH 18 -11.546 41.495 19.602 1.00 46.91 O HETATM 1347 O HOH 19 -12.984 38.517 16.460 1.00 46.53 O HETATM 1348 O HOH 20 -15.244 51.638 -1.584 1.00 57.51 O HETATM 1349 O HOH 21 -5.174 55.708 0.456 1.00 28.57 O HETATM 1350 O HOH 22 -4.943 47.901 11.646 1.00 25.68 O HETATM 1351 O HOH 23 -2.824 56.833 1.238 1.00 37.14 O HETATM 1352 O HOH 24 2.963 51.897 3.238 1.00 53.93 O HETATM 1353 O HOH 25 -8.932 34.902 11.023 1.00 31.23 O HETATM 1354 O HOH 26 -8.989 39.274 13.178 1.00 39.44 O HETATM 1355 O HOH 27 -13.063 33.670 12.152 1.00 38.94 O HETATM 1356 O HOH 28 -17.155 33.002 13.674 1.00 43.70 O HETATM 1357 O HOH 29 -23.083 30.822 13.794 1.00 42.65 O HETATM 1358 O HOH 30 -26.384 29.052 15.273 1.00 61.00 O HETATM 1359 O HOH 31 -26.108 30.322 8.447 1.00 43.80 O HETATM 1360 O HOH 32 -28.962 28.007 14.166 1.00 51.99 O HETATM 1361 O HOH 33 -26.707 28.313 12.465 1.00 57.12 O HETATM 1362 O HOH 34 -24.960 29.374 6.012 1.00 42.22 O HETATM 1363 O HOH 35 -28.902 46.723 3.024 1.00 51.21 O HETATM 1364 O HOH 36 -17.807 27.465 -1.493 1.00 39.47 O HETATM 1365 O HOH 37 -18.799 30.408 -4.964 1.00 37.12 O HETATM 1366 O HOH 38 -10.757 27.587 -0.128 1.00 36.29 O HETATM 1367 O HOH 39 -7.293 30.628 0.924 1.00 59.21 O HETATM 1368 O HOH 40 -14.074 26.452 -3.741 1.00 25.42 O HETATM 1369 O HOH 41 -11.184 26.324 -7.541 1.00 41.12 O HETATM 1370 O HOH 42 -6.944 26.407 -1.547 1.00 53.24 O HETATM 1371 O HOH 43 -4.703 31.387 -0.130 1.00 50.94 O HETATM 1372 O HOH 44 -17.772 27.858 -5.955 1.00 47.80 O HETATM 1373 O HOH 45 -2.571 30.012 -2.042 1.00 32.35 O HETATM 1374 O HOH 46 0.540 26.804 -8.375 1.00 49.23 O HETATM 1375 O HOH 47 -31.107 47.165 15.581 1.00 51.53 O HETATM 1376 O HOH 48 -33.078 42.769 -4.246 1.00 49.23 O HETATM 1377 O HOH 49 16.956 45.046 -3.712 1.00 67.77 O HETATM 1378 O HOH 50 -14.122 51.788 -4.359 1.00 42.44 O HETATM 1379 O HOH 51 -20.307 49.933 -8.927 1.00 51.81 O HETATM 1380 O HOH 52 -14.426 33.213 14.715 1.00 49.23 O HETATM 1381 O HOH 53 -8.144 28.288 2.638 1.00 54.93 O HETATM 1382 O HOH 54 -22.563 52.769 -5.125 1.00 60.34 O HETATM 1383 O HOH 55 -16.196 51.969 15.157 1.00 47.85 O HETATM 1384 O HOH 56 -16.616 26.152 -3.886 1.00 39.12 O HETATM 1385 O HOH 57 15.599 47.537 -7.201 1.00 52.52 O HETATM 1386 O HOH 58 7.891 40.882 -9.839 1.00 46.18 O HETATM 1387 O HOH 59 9.021 40.205 -6.414 1.00 35.32 O HETATM 1388 O HOH 60 15.048 45.880 -9.626 1.00 58.28 O HETATM 1389 O HOH 61 11.950 43.044 1.383 1.00 62.49 O HETATM 1390 O HOH 62 12.480 40.120 0.332 1.00 31.03 O HETATM 1391 O HOH 63 15.076 41.896 -2.131 1.00 46.36 O HETATM 1392 O HOH 64 3.901 48.360 -4.270 1.00 40.97 O HETATM 1393 O HOH 65 7.091 43.193 -12.647 1.00 42.26 O HETATM 1394 O HOH 66 5.565 39.288 -9.007 1.00 28.76 O HETATM 1395 O HOH 67 -2.278 48.304 -7.846 1.00 33.75 O HETATM 1396 O HOH 68 0.486 48.257 -12.259 1.00 20.26 O HETATM 1397 O HOH 69 -2.374 51.390 -13.141 1.00 31.72 O HETATM 1398 O HOH 70 2.325 47.129 -11.516 1.00 53.46 O HETATM 1399 O HOH 71 3.499 50.594 -5.874 1.00 48.76 O HETATM 1400 O HOH 72 0.980 36.880 -11.667 1.00 22.99 O HETATM 1401 O HOH 73 -1.441 38.806 -13.789 1.00 15.40 O HETATM 1402 O HOH 74 -2.279 52.034 -3.531 1.00 36.52 O HETATM 1403 O HOH 75 0.475 46.506 -0.444 1.00 20.90 O HETATM 1404 O HOH 76 -8.466 45.975 -9.421 1.00 14.47 O HETATM 1405 O HOH 77 -9.110 39.627 -8.982 1.00 24.92 O HETATM 1406 O HOH 78 -11.166 46.892 -9.106 1.00 27.33 O HETATM 1407 O HOH 79 -12.865 47.297 -5.294 1.00 41.37 O HETATM 1408 O HOH 80 -14.285 43.330 -10.061 1.00 31.51 O HETATM 1409 O HOH 81 -11.619 42.702 -12.912 1.00 37.37 O HETATM 1410 O HOH 82 -15.353 48.284 -5.614 1.00 41.36 O HETATM 1411 O HOH 83 -18.140 48.659 -5.515 1.00 50.24 O HETATM 1412 O HOH 84 -20.876 40.312 -8.069 1.00 29.89 O HETATM 1413 O HOH 85 -20.134 38.098 -5.248 1.00 37.89 O HETATM 1414 O HOH 86 -17.927 37.708 -9.776 1.00 30.01 O HETATM 1415 O HOH 87 -17.005 35.097 -9.605 1.00 45.45 O HETATM 1416 O HOH 88 -23.983 44.948 -2.240 1.00 20.46 O HETATM 1417 O HOH 89 -21.867 48.265 -3.738 1.00 30.19 O HETATM 1418 O HOH 90 -25.398 46.051 -6.312 1.00 38.68 O HETATM 1419 O HOH 91 -26.887 38.090 -5.809 1.00 44.42 O HETATM 1420 O HOH 92 -26.376 40.790 -7.079 1.00 34.21 O HETATM 1421 O HOH 93 -27.333 42.727 2.368 1.00 23.13 O HETATM 1422 O HOH 94 -29.766 43.884 -0.961 1.00 33.18 O HETATM 1423 O HOH 95 -26.805 33.027 -0.748 1.00 27.44 O HETATM 1424 O HOH 96 -23.728 31.177 -2.595 1.00 42.63 O HETATM 1425 O HOH 97 -21.620 33.375 -4.333 1.00 24.58 O HETATM 1426 O HOH 98 -23.850 48.766 4.512 1.00 35.80 O HETATM 1427 O HOH 99 -26.002 46.444 -3.498 1.00 37.85 O HETATM 1428 O HOH 100 -24.402 49.108 -2.461 1.00 53.09 O HETATM 1429 O HOH 101 -21.419 46.482 7.876 1.00 34.09 O HETATM 1430 O HOH 102 -25.006 47.804 7.484 1.00 46.41 O HETATM 1431 O HOH 103 -18.312 48.735 -0.213 1.00 28.10 O HETATM 1432 O HOH 104 -23.389 50.469 -0.058 1.00 44.40 O HETATM 1433 O HOH 105 -22.352 54.016 7.243 1.00 46.19 O HETATM 1434 O HOH 106 -19.101 48.121 10.826 1.00 36.13 O HETATM 1435 O HOH 107 -19.318 50.124 12.514 1.00 47.59 O HETATM 1436 O HOH 108 -26.249 50.029 9.702 1.00 49.24 O HETATM 1437 O HOH 109 -31.440 47.920 8.797 1.00 60.23 O HETATM 1438 O HOH 110 -27.871 48.262 12.642 1.00 65.70 O HETATM 1439 O HOH 111 -22.742 51.554 17.307 1.00 55.96 O HETATM 1440 O HOH 112 -28.639 49.599 23.043 1.00 74.50 O HETATM 1441 O HOH 113 -26.204 43.590 21.521 1.00 57.43 O HETATM 1442 O HOH 114 -21.725 42.532 12.017 1.00 19.56 O HETATM 1443 O HOH 115 -18.246 44.878 11.427 1.00 23.60 O HETATM 1444 O HOH 116 -15.742 49.092 18.458 1.00 31.76 O HETATM 1445 O HOH 117 -15.882 41.895 19.004 1.00 34.24 O HETATM 1446 O HOH 118 -17.471 42.254 23.373 1.00 60.72 O HETATM 1447 O HOH 119 -14.677 42.343 16.493 1.00 20.76 O HETATM 1448 O HOH 120 -13.082 48.807 19.991 1.00 33.19 O HETATM 1449 O HOH 121 -11.947 49.157 16.133 1.00 41.61 O HETATM 1450 O HOH 122 -13.511 47.363 25.058 1.00 42.09 O HETATM 1451 O HOH 123 -8.072 44.367 10.818 1.00 32.24 O HETATM 1452 O HOH 124 -8.852 40.705 18.686 1.00 59.77 O HETATM 1453 O HOH 125 -12.099 41.376 16.855 1.00 37.36 O HETATM 1454 O HOH 126 -7.419 48.653 14.776 1.00 48.18 O HETATM 1455 O HOH 127 -11.984 48.370 13.241 1.00 42.36 O HETATM 1456 O HOH 128 -12.728 49.146 10.204 1.00 51.56 O HETATM 1457 O HOH 129 -16.626 48.683 9.751 1.00 28.37 O HETATM 1458 O HOH 130 -19.806 44.418 8.235 1.00 21.82 O HETATM 1459 O HOH 131 -15.912 48.161 -1.257 1.00 30.81 O HETATM 1460 O HOH 132 -13.501 52.746 0.502 1.00 28.59 O HETATM 1461 O HOH 133 -15.140 52.955 5.693 1.00 46.70 O HETATM 1462 O HOH 134 -10.399 50.417 8.041 1.00 48.50 O HETATM 1463 O HOH 135 -7.319 54.412 1.607 1.00 26.57 O HETATM 1464 O HOH 136 -11.622 54.405 -0.453 1.00 38.08 O HETATM 1465 O HOH 137 -12.881 53.942 4.411 1.00 39.00 O HETATM 1466 O HOH 138 -7.662 47.911 10.544 1.00 36.39 O HETATM 1467 O HOH 139 -2.799 46.358 0.585 1.00 16.75 O HETATM 1468 O HOH 140 -3.294 54.527 -2.622 1.00 40.72 O HETATM 1469 O HOH 141 -1.136 54.523 0.444 1.00 34.26 O HETATM 1470 O HOH 142 -9.791 52.317 -4.541 1.00 36.69 O HETATM 1471 O HOH 143 -8.890 54.432 -0.677 1.00 26.60 O HETATM 1472 O HOH 144 1.019 50.251 5.225 1.00 49.96 O HETATM 1473 O HOH 145 3.066 47.241 0.175 1.00 30.88 O HETATM 1474 O HOH 146 4.364 50.219 1.209 1.00 47.54 O HETATM 1475 O HOH 147 -2.921 43.346 7.640 1.00 37.27 O HETATM 1476 O HOH 148 -0.408 42.329 5.424 1.00 27.94 O HETATM 1477 O HOH 149 -0.779 51.807 11.364 1.00 47.89 O HETATM 1478 O HOH 150 0.385 36.520 5.789 1.00 27.20 O HETATM 1479 O HOH 151 -6.248 34.500 6.888 1.00 30.51 O HETATM 1480 O HOH 152 -5.327 41.735 8.251 1.00 37.30 O HETATM 1481 O HOH 153 -8.516 34.350 8.321 1.00 34.89 O HETATM 1482 O HOH 154 -10.340 37.311 11.427 1.00 19.39 O HETATM 1483 O HOH 155 -4.420 34.416 9.313 1.00 48.50 O HETATM 1484 O HOH 156 -14.982 34.033 9.850 1.00 27.74 O HETATM 1485 O HOH 157 -12.601 36.564 12.648 1.00 23.39 O HETATM 1486 O HOH 158 -20.316 42.089 9.760 1.00 22.13 O HETATM 1487 O HOH 159 -18.199 34.713 15.584 1.00 36.40 O HETATM 1488 O HOH 160 -15.675 38.781 15.450 1.00 27.31 O HETATM 1489 O HOH 161 -23.991 32.960 15.915 1.00 37.42 O HETATM 1490 O HOH 162 -22.213 33.517 18.321 1.00 61.12 O HETATM 1491 O HOH 163 -23.028 35.978 20.358 1.00 38.88 O HETATM 1492 O HOH 164 -16.794 36.324 17.316 1.00 42.26 O HETATM 1493 O HOH 165 -16.319 37.555 21.478 1.00 56.68 O HETATM 1494 O HOH 166 -28.545 41.922 18.024 1.00 47.58 O HETATM 1495 O HOH 167 -26.075 31.446 16.859 1.00 34.98 O HETATM 1496 O HOH 168 -30.048 30.947 17.414 1.00 37.83 O HETATM 1497 O HOH 169 -29.545 33.438 20.720 1.00 46.83 O HETATM 1498 O HOH 170 -28.829 38.523 21.144 1.00 44.98 O HETATM 1499 O HOH 171 -33.318 39.240 17.988 1.00 47.26 O HETATM 1500 O HOH 172 -30.152 39.677 17.889 1.00 36.21 O HETATM 1501 O HOH 173 -36.048 32.273 11.739 1.00 24.31 O HETATM 1502 O HOH 174 -37.488 29.214 13.779 1.00 25.34 O HETATM 1503 O HOH 175 -40.568 33.817 13.520 1.00 53.52 O HETATM 1504 O HOH 176 -32.712 32.722 19.856 1.00 39.14 O HETATM 1505 O HOH 177 -34.977 35.889 18.226 1.00 43.41 O HETATM 1506 O HOH 178 -34.373 34.527 7.649 1.00 21.03 O HETATM 1507 O HOH 179 -31.263 40.860 8.340 1.00 34.15 O HETATM 1508 O HOH 180 -28.940 30.885 8.356 1.00 35.02 O HETATM 1509 O HOH 181 -30.688 29.943 14.939 1.00 31.75 O HETATM 1510 O HOH 182 -24.575 30.911 11.189 1.00 55.45 O HETATM 1511 O HOH 183 -24.494 30.870 3.424 1.00 30.16 O HETATM 1512 O HOH 184 -28.729 41.099 6.141 1.00 35.10 O HETATM 1513 O HOH 185 -29.717 44.139 1.837 1.00 39.07 O HETATM 1514 O HOH 186 -20.987 28.983 10.356 1.00 53.75 O HETATM 1515 O HOH 187 -21.352 31.129 -0.974 1.00 35.76 O HETATM 1516 O HOH 188 -16.838 31.901 9.867 1.00 45.38 O HETATM 1517 O HOH 189 -21.597 28.376 4.773 1.00 45.86 O HETATM 1518 O HOH 190 -13.426 29.021 4.613 1.00 40.94 O HETATM 1519 O HOH 191 -15.533 28.627 -0.354 1.00 23.24 O HETATM 1520 O HOH 192 -19.212 29.781 -2.408 1.00 34.54 O HETATM 1521 O HOH 193 -15.350 28.609 2.599 1.00 43.71 O HETATM 1522 O HOH 194 -22.463 29.871 1.394 1.00 52.04 O HETATM 1523 O HOH 195 -17.131 32.460 -5.476 1.00 35.50 O HETATM 1524 O HOH 196 -9.392 29.972 -0.819 1.00 32.46 O HETATM 1525 O HOH 197 -7.522 32.228 5.599 1.00 36.13 O HETATM 1526 O HOH 198 -13.342 27.565 -1.461 1.00 24.95 O HETATM 1527 O HOH 199 -15.504 31.434 -7.582 1.00 39.05 O HETATM 1528 O HOH 200 -13.188 27.734 -6.061 1.00 33.25 O HETATM 1529 O HOH 201 -6.769 29.815 -2.017 1.00 47.56 O HETATM 1530 O HOH 202 -5.881 27.263 -4.929 1.00 51.29 O HETATM 1531 O HOH 203 -5.584 28.681 -8.346 1.00 45.61 O HETATM 1532 O HOH 204 -8.905 27.804 -11.623 1.00 41.61 O HETATM 1533 O HOH 205 -15.482 28.482 -7.666 1.00 49.20 O HETATM 1534 O HOH 206 -14.170 32.557 -9.741 1.00 30.83 O HETATM 1535 O HOH 207 -6.609 34.042 -12.645 1.00 40.91 O HETATM 1536 O HOH 208 -6.227 36.137 -11.090 1.00 19.79 O HETATM 1537 O HOH 209 -4.905 29.742 -4.213 1.00 42.66 O HETATM 1538 O HOH 210 2.265 28.673 -10.569 1.00 35.76 O HETATM 1539 O HOH 211 -2.507 28.989 -11.283 1.00 51.09 O HETATM 1540 O HOH 212 -0.920 32.134 -12.828 1.00 43.37 O HETATM 1541 O HOH 213 -2.122 27.937 -8.016 1.00 27.15 O HETATM 1542 O HOH 214 0.252 29.624 -1.547 1.00 37.60 O HETATM 1543 O HOH 215 1.784 25.583 -5.971 1.00 54.37 O HETATM 1544 O HOH 216 6.439 26.229 -7.173 1.00 46.73 O HETATM 1545 O HOH 217 4.471 27.935 -3.504 1.00 36.00 O HETATM 1546 O HOH 218 2.372 27.452 -1.560 1.00 52.84 O HETATM 1547 O HOH 219 1.396 30.464 0.695 1.00 44.26 O HETATM 1548 O HOH 220 11.666 35.623 3.338 1.00 32.92 O HETATM 1549 O HOH 221 12.081 34.203 -1.514 1.00 21.27 O HETATM 1550 O HOH 222 9.646 29.283 2.257 1.00 33.80 O HETATM 1551 O HOH 223 2.271 43.016 6.669 1.00 59.71 O HETATM 1552 O HOH 224 5.829 37.778 8.509 1.00 49.99 O HETATM 1553 O HOH 225 9.679 35.813 9.177 1.00 58.73 O HETATM 1554 O HOH 226 10.291 33.532 4.171 1.00 41.36 O HETATM 1555 O HOH 227 6.062 35.192 9.938 1.00 69.77 O HETATM 1556 O HOH 228 7.806 47.586 -1.682 1.00 53.18 O HETATM 1557 O HOH 229 -3.205 35.019 -11.689 1.00 45.22 O HETATM 1558 O HOH 230 -3.354 31.459 -14.441 1.00 44.28 O HETATM 1559 O HOH 231 -5.082 38.533 -11.006 1.00 14.91 O HETATM 1560 O HOH 232 -0.735 34.840 -10.599 1.00 51.47 O HETATM 1561 O HOH 233 -32.764 46.040 13.266 1.00 63.69 O HETATM 1562 O HOH 234 -31.574 41.876 -1.814 1.00 42.21 O HETATM 1563 O HOH 235 14.524 34.181 11.149 1.00 51.79 O HETATM 1564 O HOH 236 -7.482 26.143 9.140 1.00 74.45 O HETATM 1565 C01 UNN A 237 -23.630 44.679 9.880 1.00 -0.02 C HETATM 1566 C05 UNN A 237 -24.982 44.634 10.537 1.00 0.03 C HETATM 1567 C06 UNN A 237 -25.983 45.442 10.151 1.00 -0.04 C HETATM 1568 C08 UNN A 237 -27.281 45.416 10.764 1.00 0.00 C HETATM 1569 C09 UNN A 237 -28.346 46.235 10.392 1.00 -0.06 C HETATM 1570 C11 UNN A 237 -29.540 46.097 11.069 1.00 -0.02 C HETATM 1571 N13 UNN A 237 -29.746 45.221 12.067 1.00 -0.30 N HETATM 1572 C14 UNN A 237 -28.749 44.399 12.461 1.00 0.14 C HETATM 1573 N15 UNN A 237 -29.018 43.544 13.472 1.00 -0.31 N HETATM 1574 C17 UNN A 237 -30.366 43.247 13.954 1.00 0.05 C HETATM 1575 C19 UNN A 237 -30.321 42.785 15.399 1.00 0.01 C HETATM 1576 C22 UNN A 237 -31.704 42.398 15.877 1.00 -0.03 C HETATM 1577 N25 UNN A 237 -32.255 41.345 15.014 1.00 0.23 N HETATM 1578 C27 UNN A 237 -32.388 41.817 13.626 1.00 -0.03 C HETATM 1579 C30 UNN A 237 -31.028 42.199 13.078 1.00 0.01 C HETATM 1580 H17 UNN A 237 -30.390 41.304 13.042 1.00 0.03 H HETATM 1581 H18 UNN A 237 -31.150 42.603 12.062 1.00 0.03 H HETATM 1582 H15 UNN A 237 -33.051 42.695 13.601 1.00 0.08 H HETATM 1583 H16 UNN A 237 -32.818 41.015 13.008 1.00 0.08 H HETATM 1584 H13 UNN A 237 -33.163 41.077 15.360 1.00 0.20 H HETATM 1585 H14 UNN A 237 -31.639 40.547 15.033 1.00 0.20 H HETATM 1586 H11 UNN A 237 -32.362 43.279 15.842 1.00 0.08 H HETATM 1587 H12 UNN A 237 -31.642 42.027 16.911 1.00 0.08 H HETATM 1588 H9 UNN A 237 -29.936 43.601 16.028 1.00 0.03 H HETATM 1589 H10 UNN A 237 -29.654 41.914 15.480 1.00 0.03 H HETATM 1590 H8 UNN A 237 -30.964 44.169 13.903 1.00 0.06 H HETATM 1591 H7 UNN A 237 -28.225 43.073 13.931 1.00 0.18 H HETATM 1592 C33 UNN A 237 -27.494 44.501 11.796 1.00 0.13 C HETATM 1593 N34 UNN A 237 -26.447 43.680 12.173 1.00 -0.23 N HETATM 1594 C36 UNN A 237 -25.208 43.681 11.625 1.00 0.22 C HETATM 1595 O37 UNN A 237 -24.363 42.896 12.049 1.00 -0.40 O HETATM 1596 H19 UNN A 237 -26.619 43.030 12.913 1.00 0.24 H HETATM 1597 H6 UNN A 237 -30.365 46.736 10.777 1.00 0.06 H HETATM 1598 H5 UNN A 237 -28.239 46.960 9.593 1.00 0.05 H HETATM 1599 H4 UNN A 237 -25.803 46.146 9.340 1.00 0.06 H HETATM 1600 H1 UNN A 237 -23.632 45.444 9.089 1.00 0.04 H HETATM 1601 H2 UNN A 237 -23.404 43.697 9.439 1.00 0.04 H HETATM 1602 H3 UNN A 237 -22.866 44.929 10.630 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1565 1566 1600 1601 1602 CONECT 1566 1565 1567 1594 CONECT 1567 1566 1568 1599 CONECT 1568 1567 1569 1592 CONECT 1569 1568 1570 1598 CONECT 1570 1569 1571 1597 CONECT 1571 1570 1572 CONECT 1572 1571 1573 1592 CONECT 1573 1572 1574 1591 CONECT 1574 1573 1575 1579 1590 CONECT 1575 1574 1576 1588 1589 CONECT 1576 1575 1577 1586 1587 CONECT 1577 1576 1578 1584 1585 CONECT 1578 1577 1579 1582 1583 CONECT 1579 1574 1578 1580 1581 CONECT 1580 1579 CONECT 1581 1579 CONECT 1582 1578 CONECT 1583 1578 CONECT 1584 1577 CONECT 1585 1577 CONECT 1586 1576 CONECT 1587 1576 CONECT 1588 1575 CONECT 1589 1575 CONECT 1590 1574 CONECT 1591 1573 CONECT 1592 1568 1572 1593 CONECT 1593 1592 1594 1596 CONECT 1594 1566 1593 1595 CONECT 1595 1594 CONECT 1596 1593 CONECT 1597 1570 CONECT 1598 1569 CONECT 1599 1567 CONECT 1600 1565 CONECT 1601 1565 CONECT 1602 1565 MASTER 0 0 0 0 0 0 0 0 1601 1 42 10 END
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Structure:
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Related entries of code: 5a5q
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Protein Sequence Similarity
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130aa, >4QSX_1|Chain... at 100%
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130aa, >4TT2_1|Chain... at 100%
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130aa, >4TTE_1|Chain... at 100%
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130aa, >4TU4_1|Chain... at 100%
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130aa, >4TYL_1|Chain... at 100%
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130aa, >4TZ2_1|Chain... at 100%
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PDBbind
130aa, >4TZ8_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
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130aa, >5A5R_1|Chain... at 100%
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RCSB PDB
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130aa, >5A81_1|Chain... at 100%
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PDBbind
130aa, >5A82_1|Chain... at 100%
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PDBbind
130aa, >5A83_1|Chain... at 100%
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RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5a5q
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human ATAD2 bromodomain
Ligand Name
6XC
EC.Number
E.C.3.6.1.3
Resolution
1.97(Å)
Affinity (Kd/Ki/IC50)
Kd=21uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 5649-5673
Ligand Properties
Formula
C
1
4
H
1
9
N
4
O
Molecular Weight
259.327
Exact Mass
259.156
No. of atoms
38
No. of bonds
40
Polar Surface Area
74.39
LOGP Value
1.08 (
Computed with XLOGP3
)
2.01 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
O=c1[nH]c2c(nccc2cc1C)NC1CC[NH2+]CC1
InChI String
InChI=1S/C14H18N4O/c1-9-8-10-2-7-16-13(12(10)18-14(9)19)17-11-3-5-15-6-4-11/h2,7-8,11,15H,3-6H2,1H3,(H,16,17)(H,18,19)/p+1
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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