Browse entries in the PDBbind-CN Database
HEADER 5LJ0_COMPLEX COMPND 5LJ0_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 380 74 ATOM 1 N SER A 979 12.535 45.663 -3.162 1.00 62.38 N ATOM 2 CA SER A 979 13.010 45.811 -4.573 1.00 62.40 C ATOM 3 C SER A 979 11.864 46.140 -5.531 1.00 63.66 C ATOM 4 O SER A 979 10.698 46.171 -5.137 1.00 59.62 O ATOM 5 CB SER A 979 13.715 44.532 -5.039 1.00 62.48 C ATOM 6 OG SER A 979 12.787 43.480 -5.245 1.00 59.79 O ATOM 7 HG SER A 979 13.270 42.669 -5.545 1.00 0.00 H ATOM 8 HN3 SER A 979 11.837 44.894 -3.111 1.00 0.00 H ATOM 9 HN2 SER A 979 12.095 46.552 -2.850 1.00 0.00 H ATOM 10 HN1 SER A 979 13.344 45.440 -2.547 1.00 0.00 H ATOM 11 N MET A 980 12.218 46.379 -6.793 1.00 64.96 N ATOM 12 CA MET A 980 11.246 46.637 -7.857 1.00 64.93 C ATOM 13 C MET A 980 10.359 45.417 -8.109 1.00 57.94 C ATOM 14 O MET A 980 9.150 45.558 -8.306 1.00 55.49 O ATOM 15 CB MET A 980 11.979 47.026 -9.148 1.00 71.04 C ATOM 16 CG MET A 980 11.089 47.532 -10.276 1.00 76.04 C ATOM 17 SD MET A 980 10.479 49.213 -10.027 1.00 84.19 S ATOM 18 CE MET A 980 12.004 50.156 -10.046 1.00 82.23 C ATOM 19 H MET A 980 13.230 46.382 -7.033 1.00 0.00 H ATOM 20 N GLN A 981 10.965 44.228 -8.110 1.00 53.98 N ATOM 21 CA GLN A 981 10.226 42.969 -8.260 1.00 52.59 C ATOM 22 C GLN A 981 9.165 42.819 -7.166 1.00 46.26 C ATOM 23 O GLN A 981 8.027 42.431 -7.439 1.00 42.66 O ATOM 24 CB GLN A 981 11.187 41.765 -8.223 1.00 57.44 C ATOM 25 CG GLN A 981 10.530 40.421 -8.541 1.00 62.04 C ATOM 26 CD GLN A 981 11.444 39.220 -8.319 1.00 66.59 C ATOM 27 OE1 GLN A 981 12.616 39.364 -7.958 1.00 69.64 O ATOM 28 NE2 GLN A 981 10.905 38.019 -8.540 1.00 65.38 N ATOM 29 HE22 GLN A 981 9.913 37.942 -8.843 1.00 0.00 H ATOM 30 HE21 GLN A 981 11.477 37.160 -8.409 1.00 0.00 H ATOM 31 H GLN A 981 11.999 44.192 -8.000 1.00 0.00 H ATOM 32 N GLU A 982 9.543 43.136 -5.931 1.00 41.49 N ATOM 33 CA GLU A 982 8.653 42.963 -4.785 1.00 38.78 C ATOM 34 C GLU A 982 7.539 44.002 -4.750 1.00 37.03 C ATOM 35 O GLU A 982 6.406 43.685 -4.390 1.00 32.57 O ATOM 36 CB GLU A 982 9.452 42.993 -3.486 1.00 40.06 C ATOM 37 CG GLU A 982 10.404 41.812 -3.372 1.00 40.70 C ATOM 38 CD GLU A 982 11.278 41.861 -2.137 1.00 41.45 C ATOM 39 OE1 GLU A 982 11.306 42.905 -1.448 1.00 41.27 O ATOM 40 OE2 GLU A 982 11.943 40.840 -1.865 1.00 39.45 O ATOM 41 H GLU A 982 10.498 43.517 -5.777 1.00 0.00 H ATOM 42 N GLU A 983 7.851 45.238 -5.125 1.00 36.75 N ATOM 43 CA GLU A 983 6.821 46.269 -5.196 1.00 39.32 C ATOM 44 C GLU A 983 5.808 45.948 -6.299 1.00 34.32 C ATOM 45 O GLU A 983 4.612 46.150 -6.113 1.00 33.15 O ATOM 46 CB GLU A 983 7.440 47.658 -5.382 1.00 45.10 C ATOM 47 CG GLU A 983 8.250 48.125 -4.176 1.00 50.46 C ATOM 48 CD GLU A 983 7.435 48.157 -2.894 1.00 57.01 C ATOM 49 OE1 GLU A 983 6.387 48.836 -2.878 1.00 61.39 O ATOM 50 OE2 GLU A 983 7.837 47.503 -1.905 1.00 60.95 O ATOM 51 H GLU A 983 8.835 45.472 -5.369 1.00 0.00 H ATOM 52 N ASP A 984 6.287 45.425 -7.428 1.00 31.99 N ATOM 53 CA ASP A 984 5.400 44.933 -8.486 1.00 32.04 C ATOM 54 C ASP A 984 4.498 43.796 -7.986 1.00 28.50 C ATOM 55 O ASP A 984 3.321 43.726 -8.344 1.00 26.45 O ATOM 56 CB ASP A 984 6.206 44.451 -9.695 1.00 34.72 C ATOM 57 CG ASP A 984 6.776 45.596 -10.523 1.00 38.11 C ATOM 58 OD1 ASP A 984 6.513 46.776 -10.204 1.00 39.66 O ATOM 59 OD2 ASP A 984 7.491 45.306 -11.503 1.00 41.81 O ATOM 60 H ASP A 984 7.317 45.365 -7.561 1.00 0.00 H ATOM 61 N THR A 985 5.061 42.907 -7.173 1.00 26.24 N ATOM 62 CA THR A 985 4.304 41.797 -6.592 1.00 25.57 C ATOM 63 C THR A 985 3.165 42.320 -5.723 1.00 24.17 C ATOM 64 O THR A 985 2.014 41.889 -5.866 1.00 22.85 O ATOM 65 CB THR A 985 5.215 40.873 -5.758 1.00 26.00 C ATOM 66 OG1 THR A 985 6.253 40.353 -6.598 1.00 27.68 O ATOM 67 CG2 THR A 985 4.428 39.708 -5.149 1.00 25.64 C ATOM 68 HG1 THR A 985 5.848 39.839 -7.341 1.00 0.00 H ATOM 69 H THR A 985 6.071 43.003 -6.943 1.00 0.00 H ATOM 70 N PHE A 986 3.476 43.246 -4.821 1.00 23.93 N ATOM 71 CA PHE A 986 2.447 43.761 -3.924 1.00 24.61 C ATOM 72 C PHE A 986 1.412 44.593 -4.664 1.00 24.44 C ATOM 73 O PHE A 986 0.248 44.606 -4.272 1.00 23.36 O ATOM 74 CB PHE A 986 3.049 44.540 -2.756 1.00 26.43 C ATOM 75 CG PHE A 986 3.769 43.674 -1.760 1.00 27.55 C ATOM 76 CD1 PHE A 986 3.196 42.496 -1.291 1.00 28.39 C ATOM 77 CD2 PHE A 986 5.018 44.039 -1.282 1.00 30.01 C ATOM 78 CE1 PHE A 986 3.859 41.700 -0.371 1.00 29.67 C ATOM 79 CE2 PHE A 986 5.680 43.251 -0.356 1.00 31.11 C ATOM 80 CZ PHE A 986 5.102 42.082 0.101 1.00 30.83 C ATOM 81 H PHE A 986 4.451 43.602 -4.755 1.00 0.00 H ATOM 82 N ARG A 987 1.819 45.279 -5.730 1.00 24.91 N ATOM 83 CA ARG A 987 0.868 46.017 -6.549 1.00 26.04 C ATOM 84 C ARG A 987 -0.121 45.050 -7.198 1.00 24.13 C ATOM 85 O ARG A 987 -1.327 45.301 -7.220 1.00 23.01 O ATOM 86 CB ARG A 987 1.583 46.848 -7.613 1.00 28.83 C ATOM 87 CG ARG A 987 0.626 47.678 -8.447 1.00 31.46 C ATOM 88 CD ARG A 987 1.263 48.942 -8.991 1.00 33.86 C ATOM 89 NE ARG A 987 0.250 49.786 -9.619 1.00 35.35 N ATOM 90 CZ ARG A 987 -0.245 49.608 -10.844 1.00 35.33 C ATOM 91 NH1 ARG A 987 0.174 48.612 -11.623 1.00 34.27 N ATOM 92 NH2 ARG A 987 -1.169 50.444 -11.295 1.00 36.92 N ATOM 93 HE ARG A 987 -0.114 50.589 -9.067 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.227 48.493 -12.575 1.00 0.00 H ATOM 95 HH11 ARG A 987 0.902 47.954 -11.279 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.564 50.317 -12.249 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.499 51.227 -10.695 1.00 0.00 H ATOM 98 H ARG A 987 2.828 45.288 -5.981 1.00 0.00 H ATOM 99 N GLU A 988 0.390 43.934 -7.711 1.00 22.43 N ATOM 100 CA GLU A 988 -0.487 42.922 -8.300 1.00 22.03 C ATOM 101 C GLU A 988 -1.439 42.339 -7.251 1.00 20.60 C ATOM 102 O GLU A 988 -2.619 42.103 -7.536 1.00 19.51 O ATOM 103 CB GLU A 988 0.314 41.801 -8.965 1.00 23.67 C ATOM 104 CG GLU A 988 -0.563 40.645 -9.415 1.00 24.54 C ATOM 105 CD GLU A 988 0.101 39.726 -10.415 1.00 27.50 C ATOM 106 OE1 GLU A 988 1.295 39.914 -10.723 1.00 28.71 O ATOM 107 OE2 GLU A 988 -0.594 38.809 -10.891 1.00 28.41 O ATOM 108 H GLU A 988 1.418 43.780 -7.693 1.00 0.00 H ATOM 109 N LEU A 989 -0.925 42.100 -6.047 1.00 20.06 N ATOM 110 CA LEU A 989 -1.758 41.626 -4.946 1.00 19.94 C ATOM 111 C LEU A 989 -2.914 42.593 -4.695 1.00 19.48 C ATOM 112 O LEU A 989 -4.056 42.173 -4.591 1.00 18.36 O ATOM 113 CB LEU A 989 -0.936 41.447 -3.667 1.00 21.08 C ATOM 114 CG LEU A 989 -1.737 41.139 -2.398 1.00 21.54 C ATOM 115 CD1 LEU A 989 -2.462 39.804 -2.513 1.00 22.37 C ATOM 116 CD2 LEU A 989 -0.835 41.163 -1.179 1.00 22.64 C ATOM 117 H LEU A 989 0.091 42.254 -5.887 1.00 0.00 H ATOM 118 N ARG A 990 -2.612 43.885 -4.615 1.00 19.06 N ATOM 119 CA ARG A 990 -3.644 44.898 -4.373 1.00 19.32 C ATOM 120 C ARG A 990 -4.697 44.937 -5.483 1.00 18.97 C ATOM 121 O ARG A 990 -5.889 45.048 -5.204 1.00 18.65 O ATOM 122 CB ARG A 990 -3.008 46.280 -4.169 1.00 20.33 C ATOM 123 CG ARG A 990 -2.184 46.378 -2.891 1.00 21.34 C ATOM 124 CD ARG A 990 -1.809 47.815 -2.559 1.00 22.50 C ATOM 125 NE ARG A 990 -0.957 48.438 -3.575 1.00 23.96 N ATOM 126 CZ ARG A 990 0.375 48.370 -3.621 1.00 24.98 C ATOM 127 NH1 ARG A 990 1.066 47.684 -2.717 1.00 24.83 N ATOM 128 NH2 ARG A 990 1.029 48.994 -4.597 1.00 25.71 N ATOM 129 HE ARG A 990 -1.431 48.980 -4.325 1.00 0.00 H ATOM 130 HH12 ARG A 990 2.104 47.646 -2.775 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.569 47.185 -1.952 1.00 0.00 H ATOM 132 HH22 ARG A 990 2.067 48.946 -4.641 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.502 49.529 -5.316 1.00 0.00 H ATOM 134 H ARG A 990 -1.622 44.184 -4.726 1.00 0.00 H ATOM 135 N ILE A 991 -4.259 44.826 -6.735 1.00 19.25 N ATOM 136 CA ILE A 991 -5.182 44.795 -7.877 1.00 19.48 C ATOM 137 C ILE A 991 -6.121 43.598 -7.753 1.00 19.01 C ATOM 138 O ILE A 991 -7.342 43.727 -7.904 1.00 19.17 O ATOM 139 CB ILE A 991 -4.423 44.751 -9.227 1.00 20.94 C ATOM 140 CG1 ILE A 991 -3.709 46.084 -9.460 1.00 22.97 C ATOM 141 CG2 ILE A 991 -5.375 44.487 -10.384 1.00 21.41 C ATOM 142 CD1 ILE A 991 -2.603 46.045 -10.493 1.00 23.57 C ATOM 143 H ILE A 991 -3.236 44.759 -6.909 1.00 0.00 H ATOM 144 N PHE A 992 -5.544 42.441 -7.456 1.00 18.70 N ATOM 145 CA PHE A 992 -6.320 41.219 -7.260 1.00 19.22 C ATOM 146 C PHE A 992 -7.329 41.373 -6.118 1.00 18.04 C ATOM 147 O PHE A 992 -8.506 41.051 -6.279 1.00 17.80 O ATOM 148 CB PHE A 992 -5.374 40.047 -6.998 1.00 20.27 C ATOM 149 CG PHE A 992 -6.076 38.764 -6.677 1.00 21.38 C ATOM 150 CD1 PHE A 992 -6.769 38.075 -7.658 1.00 23.14 C ATOM 151 CD2 PHE A 992 -6.040 38.248 -5.395 1.00 22.58 C ATOM 152 CE1 PHE A 992 -7.423 36.891 -7.367 1.00 23.65 C ATOM 153 CE2 PHE A 992 -6.683 37.064 -5.097 1.00 23.36 C ATOM 154 CZ PHE A 992 -7.378 36.384 -6.085 1.00 23.12 C ATOM 155 H PHE A 992 -4.509 42.403 -7.360 1.00 0.00 H ATOM 156 N LEU A 993 -6.875 41.892 -4.980 1.00 18.05 N ATOM 157 CA LEU A 993 -7.751 42.064 -3.816 1.00 17.49 C ATOM 158 C LEU A 993 -8.869 43.078 -4.043 1.00 17.49 C ATOM 159 O LEU A 993 -9.990 42.877 -3.570 1.00 16.87 O ATOM 160 CB LEU A 993 -6.945 42.436 -2.568 1.00 17.92 C ATOM 161 CG LEU A 993 -5.949 41.392 -2.052 1.00 18.11 C ATOM 162 CD1 LEU A 993 -5.279 41.904 -0.788 1.00 18.87 C ATOM 163 CD2 LEU A 993 -6.621 40.050 -1.810 1.00 18.63 C ATOM 164 H LEU A 993 -5.878 42.182 -4.914 1.00 0.00 H ATOM 165 N ARG A 994 -8.579 44.159 -4.762 1.00 17.98 N ATOM 166 CA ARG A 994 -9.617 45.133 -5.107 1.00 19.25 C ATOM 167 C ARG A 994 -10.679 44.503 -5.992 1.00 18.67 C ATOM 168 O ARG A 994 -11.866 44.753 -5.817 1.00 18.63 O ATOM 169 CB ARG A 994 -9.039 46.353 -5.820 1.00 21.35 C ATOM 170 CG ARG A 994 -8.371 47.351 -4.900 1.00 23.79 C ATOM 171 CD ARG A 994 -7.935 48.591 -5.662 1.00 25.87 C ATOM 172 NE ARG A 994 -6.805 49.222 -4.998 1.00 28.12 N ATOM 173 CZ ARG A 994 -5.534 49.158 -5.388 1.00 28.17 C ATOM 174 NH1 ARG A 994 -5.167 48.516 -6.497 1.00 28.06 N ATOM 175 NH2 ARG A 994 -4.616 49.774 -4.660 1.00 30.50 N ATOM 176 HE ARG A 994 -7.009 49.774 -4.140 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.165 48.485 -6.773 1.00 0.00 H ATOM 178 HH11 ARG A 994 -5.883 48.046 -7.087 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.616 49.738 -4.945 1.00 0.00 H ATOM 180 HH21 ARG A 994 -4.894 50.294 -3.803 1.00 0.00 H ATOM 181 H ARG A 994 -7.602 44.315 -5.083 1.00 0.00 H ATOM 182 N ASN A 995 -10.244 43.692 -6.949 1.00 18.74 N ATOM 183 CA ASN A 995 -11.175 43.020 -7.849 1.00 19.79 C ATOM 184 C ASN A 995 -12.104 42.062 -7.106 1.00 18.54 C ATOM 185 O ASN A 995 -13.314 42.089 -7.313 1.00 18.82 O ATOM 186 CB ASN A 995 -10.435 42.275 -8.953 1.00 21.13 C ATOM 187 CG ASN A 995 -11.378 41.510 -9.860 1.00 23.99 C ATOM 188 OD1 ASN A 995 -11.602 40.328 -9.662 1.00 25.13 O ATOM 189 ND2 ASN A 995 -11.968 42.199 -10.834 1.00 28.02 N ATOM 190 HD22 ASN A 995 -11.746 43.206 -10.966 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.651 41.730 -11.463 1.00 0.00 H ATOM 192 H ASN A 995 -9.222 43.533 -7.059 1.00 0.00 H ATOM 193 N VAL A 996 -11.538 41.228 -6.238 1.00 17.91 N ATOM 194 CA VAL A 996 -12.337 40.298 -5.441 1.00 17.71 C ATOM 195 C VAL A 996 -13.332 41.088 -4.581 1.00 17.54 C ATOM 196 O VAL A 996 -14.528 40.781 -4.552 1.00 18.27 O ATOM 197 CB VAL A 996 -11.454 39.413 -4.533 1.00 18.24 C ATOM 198 CG1 VAL A 996 -12.311 38.544 -3.619 1.00 18.74 C ATOM 199 CG2 VAL A 996 -10.526 38.543 -5.370 1.00 18.91 C ATOM 200 H VAL A 996 -10.504 41.238 -6.124 1.00 0.00 H ATOM 201 N THR A 997 -12.835 42.120 -3.909 1.00 17.20 N ATOM 202 CA THR A 997 -13.656 42.910 -2.996 1.00 17.74 C ATOM 203 C THR A 997 -14.792 43.624 -3.733 1.00 18.31 C ATOM 204 O THR A 997 -15.922 43.658 -3.245 1.00 19.01 O ATOM 205 CB THR A 997 -12.807 43.933 -2.219 1.00 18.85 C ATOM 206 OG1 THR A 997 -11.702 43.263 -1.600 1.00 18.40 O ATOM 207 CG2 THR A 997 -13.636 44.625 -1.141 1.00 19.80 C ATOM 208 HG1 THR A 997 -11.146 42.833 -2.297 1.00 0.00 H ATOM 209 H THR A 997 -11.834 42.372 -4.036 1.00 0.00 H ATOM 210 N HIS A 998 -14.494 44.181 -4.904 1.00 18.97 N ATOM 211 CA HIS A 998 -15.523 44.813 -5.727 1.00 21.38 C ATOM 212 C HIS A 998 -16.628 43.823 -6.101 1.00 20.21 C ATOM 213 O HIS A 998 -17.811 44.149 -6.044 1.00 19.69 O ATOM 214 CB HIS A 998 -14.910 45.417 -6.998 1.00 24.23 C ATOM 215 CG HIS A 998 -15.904 46.130 -7.858 1.00 28.60 C ATOM 216 ND1 HIS A 998 -16.357 45.619 -9.056 1.00 33.02 N ATOM 217 CD2 HIS A 998 -16.556 47.302 -7.679 1.00 31.38 C ATOM 218 CE1 HIS A 998 -17.235 46.454 -9.582 1.00 32.97 C ATOM 219 NE2 HIS A 998 -17.375 47.482 -8.765 1.00 34.04 N ATOM 220 H HIS A 998 -13.510 44.166 -5.240 1.00 0.00 H ATOM 221 N ARG A 999 -16.240 42.610 -6.476 1.00 20.01 N ATOM 222 CA ARG A 999 -17.220 41.594 -6.845 1.00 20.61 C ATOM 223 C ARG A 999 -18.122 41.199 -5.682 1.00 20.08 C ATOM 224 O ARG A 999 -19.303 40.921 -5.886 1.00 20.75 O ATOM 225 CB ARG A 999 -16.528 40.380 -7.448 1.00 22.11 C ATOM 226 CG ARG A 999 -16.028 40.676 -8.851 1.00 23.54 C ATOM 227 CD ARG A 999 -14.800 39.862 -9.201 1.00 23.94 C ATOM 228 NE ARG A 999 -15.125 38.455 -9.347 1.00 23.83 N ATOM 229 CZ ARG A 999 -14.227 37.497 -9.543 1.00 23.79 C ATOM 230 NH1 ARG A 999 -12.931 37.790 -9.625 1.00 23.80 N ATOM 231 NH2 ARG A 999 -14.635 36.241 -9.666 1.00 24.20 N ATOM 232 HE ARG A 999 -16.126 38.179 -9.295 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.235 37.032 -9.779 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.614 38.777 -9.535 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.941 35.482 -9.820 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.649 36.016 -9.609 1.00 0.00 H ATOM 237 H ARG A 999 -15.226 42.381 -6.507 1.00 0.00 H ATOM 238 N LEU A1000 -17.574 41.189 -4.470 1.00 18.87 N ATOM 239 CA LEU A1000 -18.386 40.978 -3.276 1.00 18.93 C ATOM 240 C LEU A1000 -19.300 42.180 -3.039 1.00 19.95 C ATOM 241 O LEU A1000 -20.485 42.019 -2.749 1.00 20.53 O ATOM 242 CB LEU A1000 -17.498 40.744 -2.048 1.00 18.63 C ATOM 243 CG LEU A1000 -16.568 39.530 -2.119 1.00 18.75 C ATOM 244 CD1 LEU A1000 -15.616 39.507 -0.933 1.00 18.89 C ATOM 245 CD2 LEU A1000 -17.363 38.238 -2.204 1.00 19.18 C ATOM 246 H LEU A1000 -16.549 41.334 -4.372 1.00 0.00 H ATOM 247 N ALA A1001 -18.748 43.383 -3.181 1.00 20.44 N ATOM 248 CA ALA A1001 -19.472 44.611 -2.851 1.00 21.59 C ATOM 249 C ALA A1001 -20.669 44.890 -3.762 1.00 23.22 C ATOM 250 O ALA A1001 -21.633 45.514 -3.319 1.00 23.94 O ATOM 251 CB ALA A1001 -18.526 45.801 -2.864 1.00 22.25 C ATOM 252 H ALA A1001 -17.773 43.452 -3.537 1.00 0.00 H ATOM 253 N ILE A1002 -20.607 44.447 -5.018 1.00 23.72 N ATOM 254 CA ILE A1002 -21.711 44.668 -5.970 1.00 25.92 C ATOM 255 C ILE A1002 -22.813 43.609 -5.873 1.00 26.65 C ATOM 256 O ILE A1002 -23.872 43.761 -6.478 1.00 27.47 O ATOM 257 CB ILE A1002 -21.228 44.775 -7.439 1.00 27.15 C ATOM 258 CG1 ILE A1002 -20.656 43.442 -7.955 1.00 27.27 C ATOM 259 CG2 ILE A1002 -20.230 45.914 -7.583 1.00 28.57 C ATOM 260 CD1 ILE A1002 -20.163 43.487 -9.389 1.00 29.42 C ATOM 261 H ILE A1002 -19.760 43.933 -5.334 1.00 0.00 H ATOM 262 N ASP A1003 -22.561 42.538 -5.128 1.00 24.84 N ATOM 263 CA ASP A1003 -23.554 41.491 -4.911 1.00 25.11 C ATOM 264 C ASP A1003 -24.615 41.998 -3.935 1.00 24.90 C ATOM 265 O ASP A1003 -24.294 42.357 -2.802 1.00 22.98 O ATOM 266 CB ASP A1003 -22.858 40.245 -4.363 1.00 25.72 C ATOM 267 CG ASP A1003 -23.729 39.013 -4.399 1.00 27.33 C ATOM 268 OD1 ASP A1003 -24.878 39.069 -3.917 1.00 28.30 O ATOM 269 OD2 ASP A1003 -23.248 37.972 -4.892 1.00 29.11 O ATOM 270 H ASP A1003 -21.625 42.443 -4.685 1.00 0.00 H ATOM 271 N LYS A1004 -25.877 42.017 -4.373 1.00 26.29 N ATOM 272 CA LYS A1004 -26.979 42.569 -3.567 1.00 27.80 C ATOM 273 C LYS A1004 -27.110 41.922 -2.188 1.00 25.21 C ATOM 274 O LYS A1004 -27.486 42.584 -1.221 1.00 25.25 O ATOM 275 CB LYS A1004 -28.318 42.437 -4.305 1.00 31.97 C ATOM 276 CG LYS A1004 -28.452 43.307 -5.543 1.00 37.36 C ATOM 277 CD LYS A1004 -29.850 43.198 -6.136 1.00 41.98 C ATOM 278 CE LYS A1004 -29.866 43.576 -7.609 1.00 46.32 C ATOM 279 NZ LYS A1004 -31.234 43.489 -8.194 1.00 49.14 N ATOM 280 HZ1 LYS A1004 -31.587 42.515 -8.105 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -31.869 44.137 -7.685 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.198 43.755 -9.199 1.00 0.00 H ATOM 283 H LYS A1004 -26.088 41.629 -5.315 1.00 0.00 H ATOM 284 N ARG A1005 -26.791 40.635 -2.098 1.00 24.22 N ATOM 285 CA ARG A1005 -26.850 39.912 -0.824 1.00 23.88 C ATOM 286 C ARG A1005 -25.956 40.527 0.244 1.00 22.74 C ATOM 287 O ARG A1005 -26.245 40.412 1.430 1.00 23.42 O ATOM 288 CB ARG A1005 -26.409 38.463 -1.004 1.00 25.21 C ATOM 289 CG ARG A1005 -27.323 37.618 -1.866 1.00 26.89 C ATOM 290 CD ARG A1005 -26.732 36.232 -2.043 1.00 27.91 C ATOM 291 NE ARG A1005 -25.475 36.267 -2.788 1.00 28.62 N ATOM 292 CZ ARG A1005 -24.654 35.230 -2.936 1.00 29.94 C ATOM 293 NH1 ARG A1005 -24.940 34.052 -2.387 1.00 30.84 N ATOM 294 NH2 ARG A1005 -23.534 35.369 -3.637 1.00 30.95 N ATOM 295 HE ARG A1005 -25.203 37.166 -3.234 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.290 33.249 -2.510 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.813 33.934 -1.835 1.00 0.00 H ATOM 298 HH22 ARG A1005 -22.890 34.561 -3.754 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.301 36.286 -4.068 1.00 0.00 H ATOM 300 H ARG A1005 -26.491 40.127 -2.955 1.00 0.00 H ATOM 301 N PHE A1006 -24.861 41.155 -0.177 1.00 21.37 N ATOM 302 CA PHE A1006 -23.834 41.616 0.758 1.00 20.66 C ATOM 303 C PHE A1006 -23.874 43.125 1.016 1.00 20.84 C ATOM 304 O PHE A1006 -22.952 43.674 1.619 1.00 20.05 O ATOM 305 CB PHE A1006 -22.451 41.183 0.264 1.00 19.87 C ATOM 306 CG PHE A1006 -22.357 39.715 -0.083 1.00 20.15 C ATOM 307 CD1 PHE A1006 -23.013 38.752 0.681 1.00 20.26 C ATOM 308 CD2 PHE A1006 -21.609 39.293 -1.172 1.00 20.03 C ATOM 309 CE1 PHE A1006 -22.928 37.408 0.350 1.00 20.66 C ATOM 310 CE2 PHE A1006 -21.520 37.953 -1.503 1.00 20.02 C ATOM 311 CZ PHE A1006 -22.180 37.008 -0.741 1.00 20.69 C ATOM 312 H PHE A1006 -24.732 41.322 -1.195 1.00 0.00 H ATOM 313 N ARG A1007 -24.958 43.784 0.611 1.00 22.20 N ATOM 314 CA ARG A1007 -25.111 45.224 0.837 1.00 24.81 C ATOM 315 C ARG A1007 -24.898 45.611 2.303 1.00 23.24 C ATOM 316 O ARG A1007 -24.258 46.619 2.591 1.00 24.70 O ATOM 317 CB ARG A1007 -26.490 45.702 0.366 1.00 28.80 C ATOM 318 CG ARG A1007 -26.703 47.201 0.509 1.00 34.36 C ATOM 319 CD ARG A1007 -27.997 47.644 -0.155 1.00 41.43 C ATOM 320 NE ARG A1007 -28.191 49.091 -0.059 1.00 47.72 N ATOM 321 CZ ARG A1007 -27.575 49.999 -0.817 1.00 51.59 C ATOM 322 NH1 ARG A1007 -26.698 49.636 -1.752 1.00 53.86 N ATOM 323 NH2 ARG A1007 -27.835 51.290 -0.635 1.00 54.71 N ATOM 324 HE ARG A1007 -28.861 49.439 0.656 1.00 0.00 H ATOM 325 HH12 ARG A1007 -26.228 50.359 -2.333 1.00 0.00 H ATOM 326 HH11 ARG A1007 -26.483 48.629 -1.901 1.00 0.00 H ATOM 327 HH22 ARG A1007 -27.359 52.004 -1.222 1.00 0.00 H ATOM 328 HH21 ARG A1007 -28.515 51.586 0.094 1.00 0.00 H ATOM 329 H ARG A1007 -25.715 43.264 0.122 1.00 0.00 H ATOM 330 N VAL A1008 -25.424 44.803 3.222 1.00 22.76 N ATOM 331 CA VAL A1008 -25.288 45.060 4.658 1.00 23.47 C ATOM 332 C VAL A1008 -23.823 45.133 5.117 1.00 22.77 C ATOM 333 O VAL A1008 -23.517 45.798 6.107 1.00 23.13 O ATOM 334 CB VAL A1008 -26.066 44.013 5.501 1.00 24.26 C ATOM 335 CG1 VAL A1008 -25.485 42.616 5.332 1.00 24.30 C ATOM 336 CG2 VAL A1008 -26.105 44.407 6.971 1.00 25.83 C ATOM 337 H VAL A1008 -25.949 43.961 2.910 1.00 0.00 H ATOM 338 N PHE A1009 -22.927 44.462 4.396 1.00 21.07 N ATOM 339 CA PHE A1009 -21.503 44.445 4.738 1.00 20.78 C ATOM 340 C PHE A1009 -20.656 45.463 3.964 1.00 21.03 C ATOM 341 O PHE A1009 -19.443 45.490 4.139 1.00 21.44 O ATOM 342 CB PHE A1009 -20.924 43.042 4.501 1.00 20.28 C ATOM 343 CG PHE A1009 -21.729 41.935 5.133 1.00 20.37 C ATOM 344 CD1 PHE A1009 -21.930 41.901 6.504 1.00 20.76 C ATOM 345 CD2 PHE A1009 -22.277 40.924 4.356 1.00 20.89 C ATOM 346 CE1 PHE A1009 -22.673 40.889 7.089 1.00 21.18 C ATOM 347 CE2 PHE A1009 -23.021 39.907 4.935 1.00 21.06 C ATOM 348 CZ PHE A1009 -23.219 39.888 6.302 1.00 21.40 C ATOM 349 H PHE A1009 -23.249 43.932 3.561 1.00 0.00 H ATOM 350 N THR A1010 -21.269 46.292 3.120 1.00 21.81 N ATOM 351 CA THR A1010 -20.497 47.186 2.245 1.00 22.95 C ATOM 352 C THR A1010 -19.924 48.402 2.971 1.00 24.74 C ATOM 353 O THR A1010 -18.855 48.880 2.603 1.00 25.68 O ATOM 354 CB THR A1010 -21.307 47.670 1.021 1.00 23.82 C ATOM 355 OG1 THR A1010 -22.541 48.263 1.445 1.00 25.32 O ATOM 356 CG2 THR A1010 -21.589 46.513 0.079 1.00 24.11 C ATOM 357 HG1 THR A1010 -23.074 47.593 1.942 1.00 0.00 H ATOM 358 H THR A1010 -22.308 46.307 3.080 1.00 0.00 H ATOM 359 N LYS A1011 -20.627 48.892 3.991 1.00 25.81 N ATOM 360 CA LYS A1011 -20.219 50.096 4.722 1.00 28.39 C ATOM 361 C LYS A1011 -20.227 49.831 6.224 1.00 28.02 C ATOM 362 O LYS A1011 -20.857 48.880 6.679 1.00 26.65 O ATOM 363 CB LYS A1011 -21.188 51.251 4.431 1.00 31.44 C ATOM 364 CG LYS A1011 -21.343 51.630 2.967 1.00 34.19 C ATOM 365 CD LYS A1011 -20.029 52.094 2.371 1.00 37.33 C ATOM 366 CE LYS A1011 -20.223 52.922 1.110 1.00 41.72 C ATOM 367 NZ LYS A1011 -18.913 53.334 0.530 1.00 44.42 N ATOM 368 HZ1 LYS A1011 -18.391 53.905 1.226 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -18.360 52.487 0.290 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -19.077 53.897 -0.329 1.00 0.00 H ATOM 371 H LYS A1011 -21.498 48.402 4.280 1.00 0.00 H ATOM 372 N PRO A1012 -19.549 50.689 7.008 1.00 28.95 N ATOM 373 CA PRO A1012 -19.687 50.576 8.462 1.00 29.65 C ATOM 374 C PRO A1012 -21.150 50.711 8.878 1.00 29.86 C ATOM 375 O PRO A1012 -21.925 51.370 8.188 1.00 30.35 O ATOM 376 CB PRO A1012 -18.862 51.757 8.992 1.00 31.06 C ATOM 377 CG PRO A1012 -17.910 52.091 7.897 1.00 31.00 C ATOM 378 CD PRO A1012 -18.632 51.777 6.621 1.00 30.14 C ATOM 379 N VAL A1013 -21.531 50.075 9.980 1.00 30.77 N ATOM 380 CA VAL A1013 -22.914 50.156 10.450 1.00 32.08 C ATOM 381 C VAL A1013 -23.327 51.599 10.729 1.00 34.42 C ATOM 382 O VAL A1013 -22.495 52.439 11.070 1.00 34.83 O ATOM 383 CB VAL A1013 -23.170 49.318 11.726 1.00 33.10 C ATOM 384 CG1 VAL A1013 -22.991 47.839 11.436 1.00 32.74 C ATOM 385 CG2 VAL A1013 -22.281 49.757 12.885 1.00 34.33 C ATOM 386 H VAL A1013 -20.838 49.513 10.515 1.00 0.00 H ATOM 387 N ASP A1014 -24.614 51.870 10.548 1.00 36.25 N ATOM 388 CA ASP A1014 -25.230 53.114 10.983 1.00 38.47 C ATOM 389 C ASP A1014 -25.459 52.997 12.490 1.00 39.90 C ATOM 390 O ASP A1014 -26.257 52.165 12.926 1.00 38.40 O ATOM 391 CB ASP A1014 -26.558 53.318 10.243 1.00 39.46 C ATOM 392 CG ASP A1014 -27.213 54.662 10.543 1.00 41.82 C ATOM 393 OD1 ASP A1014 -26.743 55.391 11.440 1.00 43.43 O ATOM 394 OD2 ASP A1014 -28.216 54.983 9.874 1.00 43.77 O ATOM 395 H ASP A1014 -25.209 51.161 10.074 1.00 0.00 H ATOM 396 N PRO A1015 -24.758 53.820 13.296 1.00 43.36 N ATOM 397 CA PRO A1015 -24.946 53.714 14.747 1.00 46.04 C ATOM 398 C PRO A1015 -26.372 54.041 15.210 1.00 47.44 C ATOM 399 O PRO A1015 -26.791 53.562 16.258 1.00 47.84 O ATOM 400 CB PRO A1015 -23.932 54.713 15.320 1.00 47.53 C ATOM 401 CG PRO A1015 -23.612 55.641 14.202 1.00 47.13 C ATOM 402 CD PRO A1015 -23.765 54.848 12.940 1.00 44.39 C ATOM 403 N ASP A1016 -27.108 54.836 14.434 1.00 49.80 N ATOM 404 CA ASP A1016 -28.519 55.111 14.734 1.00 51.02 C ATOM 405 C ASP A1016 -29.385 53.855 14.591 1.00 49.99 C ATOM 406 O ASP A1016 -30.388 53.706 15.291 1.00 48.93 O ATOM 407 CB ASP A1016 -29.067 56.221 13.829 1.00 53.57 C ATOM 408 CG ASP A1016 -28.396 57.566 14.069 1.00 56.66 C ATOM 409 OD1 ASP A1016 -27.656 57.714 15.067 1.00 58.96 O ATOM 410 OD2 ASP A1016 -28.614 58.483 13.249 1.00 59.38 O ATOM 411 H ASP A1016 -26.673 55.272 13.596 1.00 0.00 H ATOM 412 N GLU A1017 -29.001 52.963 13.679 1.00 47.61 N ATOM 413 CA GLU A1017 -29.696 51.687 13.496 1.00 47.52 C ATOM 414 C GLU A1017 -29.295 50.659 14.553 1.00 44.43 C ATOM 415 O GLU A1017 -30.131 49.880 15.005 1.00 45.10 O ATOM 416 CB GLU A1017 -29.424 51.117 12.100 1.00 48.95 C ATOM 417 CG GLU A1017 -30.051 51.909 10.962 1.00 52.91 C ATOM 418 CD GLU A1017 -31.481 51.491 10.664 1.00 56.02 C ATOM 419 OE1 GLU A1017 -32.252 51.244 11.616 1.00 57.14 O ATOM 420 OE2 GLU A1017 -31.836 51.412 9.469 1.00 59.84 O ATOM 421 H GLU A1017 -28.181 53.180 13.077 1.00 0.00 H ATOM 422 N VAL A1018 -28.019 50.651 14.934 1.00 42.14 N ATOM 423 CA VAL A1018 -27.503 49.695 15.921 1.00 40.61 C ATOM 424 C VAL A1018 -26.595 50.403 16.935 1.00 40.86 C ATOM 425 O VAL A1018 -25.373 50.283 16.876 1.00 38.80 O ATOM 426 CB VAL A1018 -26.763 48.510 15.246 1.00 40.14 C ATOM 427 CG1 VAL A1018 -27.760 47.572 14.577 1.00 40.77 C ATOM 428 CG2 VAL A1018 -25.738 48.993 14.228 1.00 39.55 C ATOM 429 H VAL A1018 -27.366 51.346 14.518 1.00 0.00 H ATOM 430 N PRO A1019 -27.196 51.144 17.885 1.00 42.35 N ATOM 431 CA PRO A1019 -26.391 51.949 18.816 1.00 43.53 C ATOM 432 C PRO A1019 -25.411 51.169 19.700 1.00 42.29 C ATOM 433 O PRO A1019 -24.379 51.718 20.083 1.00 43.92 O ATOM 434 CB PRO A1019 -27.444 52.675 19.673 1.00 44.84 C ATOM 435 CG PRO A1019 -28.715 51.932 19.471 1.00 44.85 C ATOM 436 CD PRO A1019 -28.643 51.322 18.104 1.00 43.66 C ATOM 437 N ASP A1020 -25.718 49.908 20.005 1.00 40.90 N ATOM 438 CA ASP A1020 -24.846 49.087 20.856 1.00 41.27 C ATOM 439 C ASP A1020 -23.747 48.327 20.093 1.00 40.90 C ATOM 440 O ASP A1020 -22.967 47.596 20.705 1.00 40.02 O ATOM 441 CB ASP A1020 -25.680 48.097 21.681 1.00 42.44 C ATOM 442 CG ASP A1020 -26.223 46.941 20.850 1.00 42.20 C ATOM 443 OD1 ASP A1020 -26.394 47.104 19.628 1.00 43.09 O ATOM 444 OD2 ASP A1020 -26.492 45.870 21.431 1.00 51.31 O ATOM 445 H ASP A1020 -26.596 49.495 19.631 1.00 0.00 H ATOM 446 N TYR A1021 -23.680 48.494 18.773 1.00 40.10 N ATOM 447 CA TYR A1021 -22.714 47.746 17.962 1.00 39.33 C ATOM 448 C TYR A1021 -21.265 48.018 18.380 1.00 42.88 C ATOM 449 O TYR A1021 -20.461 47.087 18.492 1.00 41.59 O ATOM 450 CB TYR A1021 -22.898 48.056 16.475 1.00 37.49 C ATOM 451 CG TYR A1021 -22.222 47.048 15.576 1.00 34.56 C ATOM 452 CD1 TYR A1021 -22.896 45.904 15.155 1.00 32.82 C ATOM 453 CD2 TYR A1021 -20.905 47.228 15.161 1.00 34.04 C ATOM 454 CE1 TYR A1021 -22.279 44.972 14.339 1.00 31.20 C ATOM 455 CE2 TYR A1021 -20.281 46.303 14.343 1.00 32.66 C ATOM 456 CZ TYR A1021 -20.973 45.180 13.934 1.00 31.32 C ATOM 457 OH TYR A1021 -20.354 44.257 13.130 1.00 30.52 O ATOM 458 HH TYR A1021 -20.075 44.691 12.285 1.00 0.00 H ATOM 459 H TYR A1021 -24.324 49.167 18.310 1.00 0.00 H ATOM 460 N VAL A1022 -20.948 49.290 18.620 1.00 47.42 N ATOM 461 CA VAL A1022 -19.603 49.706 19.046 1.00 51.35 C ATOM 462 C VAL A1022 -19.197 49.025 20.357 1.00 51.52 C ATOM 463 O VAL A1022 -18.023 48.707 20.562 1.00 52.55 O ATOM 464 CB VAL A1022 -19.510 51.244 19.213 1.00 55.24 C ATOM 465 CG1 VAL A1022 -18.198 51.656 19.870 1.00 57.21 C ATOM 466 CG2 VAL A1022 -19.649 51.938 17.866 1.00 56.00 C ATOM 467 H VAL A1022 -21.681 50.018 18.501 1.00 0.00 H ATOM 468 N THR A1023 -20.167 48.802 21.238 1.00 52.05 N ATOM 469 CA THR A1023 -19.899 48.156 22.521 1.00 53.08 C ATOM 470 C THR A1023 -19.769 46.640 22.372 1.00 50.20 C ATOM 471 O THR A1023 -18.895 46.038 22.985 1.00 50.54 O ATOM 472 CB THR A1023 -20.973 48.497 23.579 1.00 55.20 C ATOM 473 OG1 THR A1023 -22.234 47.929 23.208 1.00 58.61 O ATOM 474 CG2 THR A1023 -21.123 50.005 23.728 1.00 56.54 C ATOM 475 HG1 THR A1023 -22.515 48.295 22.332 1.00 0.00 H ATOM 476 H THR A1023 -21.139 49.094 21.009 1.00 0.00 H ATOM 477 N VAL A1024 -20.619 46.032 21.544 1.00 47.26 N ATOM 478 CA VAL A1024 -20.654 44.570 21.406 1.00 44.92 C ATOM 479 C VAL A1024 -19.516 44.027 20.537 1.00 44.07 C ATOM 480 O VAL A1024 -18.916 43.002 20.865 1.00 43.90 O ATOM 481 CB VAL A1024 -22.004 44.085 20.828 1.00 44.70 C ATOM 482 CG1 VAL A1024 -21.991 42.577 20.608 1.00 44.25 C ATOM 483 CG2 VAL A1024 -23.152 44.463 21.753 1.00 46.24 C ATOM 484 H VAL A1024 -21.275 46.609 20.980 1.00 0.00 H ATOM 485 N ILE A1025 -19.235 44.701 19.424 1.00 40.63 N ATOM 486 CA ILE A1025 -18.250 44.207 18.462 1.00 39.17 C ATOM 487 C ILE A1025 -16.906 44.912 18.632 1.00 40.12 C ATOM 488 O ILE A1025 -16.779 46.111 18.384 1.00 41.73 O ATOM 489 CB ILE A1025 -18.773 44.328 17.014 1.00 35.59 C ATOM 490 CG1 ILE A1025 -19.984 43.406 16.816 1.00 34.75 C ATOM 491 CG2 ILE A1025 -17.683 43.987 16.002 1.00 34.87 C ATOM 492 CD1 ILE A1025 -19.696 41.921 16.963 1.00 34.35 C ATOM 493 H ILE A1025 -19.726 45.598 19.234 1.00 0.00 H ATOM 494 N LYS A1026 -15.915 44.122 19.035 1.00 41.32 N ATOM 495 CA LYS A1026 -14.567 44.584 19.370 1.00 44.78 C ATOM 496 C LYS A1026 -13.864 45.308 18.214 1.00 42.11 C ATOM 497 O LYS A1026 -13.305 46.392 18.400 1.00 41.38 O ATOM 498 CB LYS A1026 -13.739 43.367 19.799 1.00 49.46 C ATOM 499 CG LYS A1026 -12.507 43.668 20.631 1.00 54.54 C ATOM 500 CD LYS A1026 -11.835 42.386 21.116 1.00 57.67 C ATOM 501 CE LYS A1026 -11.447 41.460 19.968 1.00 58.81 C ATOM 502 NZ LYS A1026 -10.609 40.312 20.415 1.00 62.96 N ATOM 503 HZ1 LYS A1026 -9.733 40.671 20.846 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -11.136 39.751 21.114 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -10.375 39.716 19.596 1.00 0.00 H ATOM 506 H LYS A1026 -16.112 43.104 19.118 1.00 0.00 H ATOM 507 N GLN A1027 -13.888 44.698 17.028 1.00 37.91 N ATOM 508 CA GLN A1027 -13.259 45.259 15.837 1.00 36.38 C ATOM 509 C GLN A1027 -14.214 45.192 14.639 1.00 34.89 C ATOM 510 O GLN A1027 -14.238 44.178 13.939 1.00 31.85 O ATOM 511 CB GLN A1027 -11.988 44.458 15.536 1.00 36.52 C ATOM 512 CG GLN A1027 -11.157 44.981 14.374 1.00 35.59 C ATOM 513 CD GLN A1027 -9.844 44.238 14.173 1.00 36.65 C ATOM 514 OE1 GLN A1027 -8.938 44.756 13.523 1.00 36.18 O ATOM 515 NE2 GLN A1027 -9.731 43.027 14.722 1.00 37.11 N ATOM 516 HE22 GLN A1027 -10.523 42.626 15.264 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.851 42.484 14.607 1.00 0.00 H ATOM 518 H GLN A1027 -14.376 43.783 16.949 1.00 0.00 H ATOM 519 N PRO A1028 -15.009 46.254 14.404 1.00 34.39 N ATOM 520 CA PRO A1028 -15.898 46.237 13.251 1.00 32.68 C ATOM 521 C PRO A1028 -15.115 46.152 11.950 1.00 30.59 C ATOM 522 O PRO A1028 -13.986 46.638 11.864 1.00 30.06 O ATOM 523 CB PRO A1028 -16.636 47.578 13.346 1.00 33.94 C ATOM 524 CG PRO A1028 -16.533 47.975 14.777 1.00 36.22 C ATOM 525 CD PRO A1028 -15.197 47.468 15.224 1.00 35.55 C ATOM 526 N MET A1029 -15.714 45.523 10.949 1.00 27.60 N ATOM 527 CA MET A1029 -15.091 45.420 9.641 1.00 25.97 C ATOM 528 C MET A1029 -16.188 45.379 8.591 1.00 24.45 C ATOM 529 O MET A1029 -17.278 44.862 8.840 1.00 23.20 O ATOM 530 CB MET A1029 -14.211 44.168 9.564 1.00 25.79 C ATOM 531 CG MET A1029 -13.338 44.066 8.315 1.00 25.89 C ATOM 532 SD MET A1029 -12.268 45.487 8.006 1.00 27.67 S ATOM 533 CE MET A1029 -11.326 45.561 9.529 1.00 28.54 C ATOM 534 H MET A1029 -16.649 45.095 11.103 1.00 0.00 H ATOM 535 N ASP A1030 -15.890 45.957 7.436 1.00 23.87 N ATOM 536 CA ASP A1030 -16.827 46.043 6.326 1.00 24.40 C ATOM 537 C ASP A1030 -16.019 46.174 5.048 1.00 23.11 C ATOM 538 O ASP A1030 -14.820 46.443 5.095 1.00 22.55 O ATOM 539 CB ASP A1030 -17.737 47.257 6.501 1.00 26.18 C ATOM 540 CG ASP A1030 -16.980 48.563 6.401 1.00 28.59 C ATOM 541 OD1 ASP A1030 -16.485 49.051 7.435 1.00 31.56 O ATOM 542 OD2 ASP A1030 -16.846 49.091 5.281 1.00 29.39 O ATOM 543 H ASP A1030 -14.942 46.368 7.318 1.00 0.00 H ATOM 544 N LEU A1031 -16.677 45.999 3.907 1.00 22.03 N ATOM 545 CA LEU A1031 -15.967 45.940 2.634 1.00 21.76 C ATOM 546 C LEU A1031 -15.337 47.274 2.211 1.00 22.17 C ATOM 547 O LEU A1031 -14.300 47.273 1.552 1.00 22.60 O ATOM 548 CB LEU A1031 -16.881 45.395 1.533 1.00 21.66 C ATOM 549 CG LEU A1031 -17.370 43.958 1.734 1.00 21.49 C ATOM 550 CD1 LEU A1031 -18.424 43.611 0.694 1.00 21.48 C ATOM 551 CD2 LEU A1031 -16.217 42.965 1.677 1.00 21.49 C ATOM 552 H LEU A1031 -17.712 45.903 3.922 1.00 0.00 H ATOM 553 N SER A1032 -15.932 48.405 2.586 1.00 23.74 N ATOM 554 CA SER A1032 -15.309 49.699 2.266 1.00 25.12 C ATOM 555 C SER A1032 -14.024 49.892 3.062 1.00 24.86 C ATOM 556 O SER A1032 -13.041 50.405 2.535 1.00 25.54 O ATOM 557 CB SER A1032 -16.265 50.869 2.526 1.00 26.54 C ATOM 558 OG SER A1032 -16.474 51.070 3.911 1.00 27.72 O ATOM 559 HG SER A1032 -16.865 50.251 4.307 1.00 0.00 H ATOM 560 H SER A1032 -16.834 48.374 3.103 1.00 0.00 H ATOM 561 N SER A1033 -14.039 49.470 4.324 1.00 24.75 N ATOM 562 CA SER A1033 -12.846 49.503 5.165 1.00 26.17 C ATOM 563 C SER A1033 -11.764 48.585 4.606 1.00 23.83 C ATOM 564 O SER A1033 -10.585 48.927 4.631 1.00 23.19 O ATOM 565 CB SER A1033 -13.180 49.106 6.602 1.00 27.48 C ATOM 566 OG SER A1033 -14.026 50.071 7.199 1.00 29.69 O ATOM 567 HG SER A1033 -14.866 50.138 6.680 1.00 0.00 H ATOM 568 H SER A1033 -14.927 49.106 4.723 1.00 0.00 H ATOM 569 N VAL A1034 -12.168 47.426 4.091 1.00 22.15 N ATOM 570 CA VAL A1034 -11.224 46.513 3.445 1.00 21.36 C ATOM 571 C VAL A1034 -10.540 47.195 2.253 1.00 21.17 C ATOM 572 O VAL A1034 -9.328 47.093 2.104 1.00 20.77 O ATOM 573 CB VAL A1034 -11.911 45.195 3.022 1.00 20.95 C ATOM 574 CG1 VAL A1034 -11.024 44.376 2.095 1.00 20.52 C ATOM 575 CG2 VAL A1034 -12.286 44.380 4.257 1.00 21.41 C ATOM 576 H VAL A1034 -13.173 47.164 4.149 1.00 0.00 H ATOM 577 N ILE A1035 -11.308 47.897 1.419 1.00 21.89 N ATOM 578 CA ILE A1035 -10.736 48.629 0.287 1.00 23.08 C ATOM 579 C ILE A1035 -9.727 49.662 0.774 1.00 23.18 C ATOM 580 O ILE A1035 -8.640 49.786 0.214 1.00 22.73 O ATOM 581 CB ILE A1035 -11.823 49.321 -0.561 1.00 24.61 C ATOM 582 CG1 ILE A1035 -12.611 48.278 -1.347 1.00 25.72 C ATOM 583 CG2 ILE A1035 -11.217 50.317 -1.542 1.00 25.21 C ATOM 584 CD1 ILE A1035 -13.344 48.859 -2.532 1.00 27.37 C ATOM 585 H ILE A1035 -12.336 47.925 1.576 1.00 0.00 H ATOM 586 N SER A1036 -10.090 50.407 1.813 1.00 24.99 N ATOM 587 CA SER A1036 -9.176 51.401 2.377 1.00 26.18 C ATOM 588 C SER A1036 -7.873 50.745 2.831 1.00 25.00 C ATOM 589 O SER A1036 -6.792 51.262 2.568 1.00 25.43 O ATOM 590 CB SER A1036 -9.825 52.147 3.541 1.00 28.58 C ATOM 591 OG SER A1036 -10.956 52.872 3.100 1.00 31.25 O ATOM 592 HG SER A1036 -11.362 53.348 3.868 1.00 0.00 H ATOM 593 H SER A1036 -11.035 50.282 2.230 1.00 0.00 H ATOM 594 N LYS A1037 -7.985 49.597 3.495 1.00 23.93 N ATOM 595 CA LYS A1037 -6.813 48.863 3.963 1.00 23.57 C ATOM 596 C LYS A1037 -5.947 48.347 2.809 1.00 22.63 C ATOM 597 O LYS A1037 -4.722 48.391 2.888 1.00 22.54 O ATOM 598 CB LYS A1037 -7.227 47.724 4.892 1.00 23.88 C ATOM 599 CG LYS A1037 -7.748 48.213 6.236 1.00 25.78 C ATOM 600 CD LYS A1037 -8.059 47.069 7.186 1.00 26.67 C ATOM 601 CE LYS A1037 -6.793 46.381 7.666 1.00 27.63 C ATOM 602 NZ LYS A1037 -7.059 45.436 8.783 1.00 29.14 N ATOM 603 HZ1 LYS A1037 -7.470 45.956 9.585 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.726 44.704 8.465 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.167 44.990 9.078 1.00 0.00 H ATOM 606 H LYS A1037 -8.932 49.213 3.685 1.00 0.00 H ATOM 607 N ILE A1038 -6.574 47.882 1.731 1.00 22.02 N ATOM 608 CA ILE A1038 -5.820 47.504 0.541 1.00 21.24 C ATOM 609 C ILE A1038 -5.006 48.708 0.058 1.00 21.58 C ATOM 610 O ILE A1038 -3.802 48.601 -0.184 1.00 21.25 O ATOM 611 CB ILE A1038 -6.723 47.005 -0.616 1.00 20.83 C ATOM 612 CG1 ILE A1038 -7.415 45.688 -0.239 1.00 20.57 C ATOM 613 CG2 ILE A1038 -5.894 46.811 -1.878 1.00 20.92 C ATOM 614 CD1 ILE A1038 -8.592 45.323 -1.122 1.00 20.71 C ATOM 615 H ILE A1038 -7.610 47.787 1.737 1.00 0.00 H ATOM 616 N ASP A1039 -5.672 49.854 -0.063 1.00 23.05 N ATOM 617 CA ASP A1039 -5.049 51.060 -0.607 1.00 24.86 C ATOM 618 C ASP A1039 -3.967 51.633 0.306 1.00 25.28 C ATOM 619 O ASP A1039 -3.065 52.324 -0.163 1.00 25.59 O ATOM 620 CB ASP A1039 -6.113 52.120 -0.909 1.00 27.29 C ATOM 621 CG ASP A1039 -7.037 51.716 -2.050 1.00 29.05 C ATOM 622 OD1 ASP A1039 -6.681 50.801 -2.821 1.00 30.10 O ATOM 623 OD2 ASP A1039 -8.123 52.315 -2.179 1.00 31.71 O ATOM 624 H ASP A1039 -6.666 49.893 0.239 1.00 0.00 H ATOM 625 N LEU A1040 -4.058 51.344 1.603 1.00 24.91 N ATOM 626 CA LEU A1040 -3.025 51.748 2.564 1.00 25.67 C ATOM 627 C LEU A1040 -1.892 50.725 2.699 1.00 25.81 C ATOM 628 O LEU A1040 -1.019 50.883 3.553 1.00 25.98 O ATOM 629 CB LEU A1040 -3.658 52.005 3.934 1.00 26.03 C ATOM 630 CG LEU A1040 -4.539 53.252 4.006 1.00 27.03 C ATOM 631 CD1 LEU A1040 -5.436 53.206 5.230 1.00 27.67 C ATOM 632 CD2 LEU A1040 -3.687 54.514 4.002 1.00 28.85 C ATOM 633 H LEU A1040 -4.886 50.816 1.945 1.00 0.00 H ATOM 634 N HIS A1041 -1.908 49.687 1.859 1.00 24.92 N ATOM 635 CA HIS A1041 -0.861 48.661 1.818 1.00 25.96 C ATOM 636 C HIS A1041 -0.828 47.843 3.110 1.00 26.52 C ATOM 637 O HIS A1041 0.232 47.413 3.557 1.00 26.65 O ATOM 638 CB HIS A1041 0.522 49.277 1.533 1.00 27.79 C ATOM 639 CG HIS A1041 0.613 49.998 0.224 1.00 28.85 C ATOM 640 ND1 HIS A1041 1.819 50.299 -0.371 1.00 31.08 N ATOM 641 CD2 HIS A1041 -0.345 50.461 -0.614 1.00 29.79 C ATOM 642 CE1 HIS A1041 1.601 50.928 -1.512 1.00 31.52 C ATOM 643 NE2 HIS A1041 0.297 51.041 -1.683 1.00 31.38 N ATOM 644 H HIS A1041 -2.706 49.602 1.198 1.00 0.00 H ATOM 645 N LYS A1042 -2.000 47.619 3.693 1.00 26.80 N ATOM 646 CA LYS A1042 -2.106 46.891 4.955 1.00 28.43 C ATOM 647 C LYS A1042 -2.102 45.377 4.764 1.00 27.48 C ATOM 648 O LYS A1042 -1.849 44.642 5.716 1.00 29.00 O ATOM 649 CB LYS A1042 -3.369 47.304 5.705 1.00 30.10 C ATOM 650 CG LYS A1042 -3.405 48.771 6.107 1.00 34.52 C ATOM 651 CD LYS A1042 -2.388 49.078 7.194 1.00 38.27 C ATOM 652 CE LYS A1042 -2.413 50.544 7.603 1.00 42.69 C ATOM 653 NZ LYS A1042 -3.701 50.941 8.234 1.00 44.38 N ATOM 654 HZ1 LYS A1042 -4.478 50.784 7.561 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -3.858 50.368 9.088 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -3.663 51.948 8.493 1.00 0.00 H ATOM 657 H LYS A1042 -2.866 47.972 3.238 1.00 0.00 H ATOM 658 N TYR A1043 -2.401 44.917 3.552 1.00 24.51 N ATOM 659 CA TYR A1043 -2.380 43.492 3.244 1.00 23.94 C ATOM 660 C TYR A1043 -1.158 43.170 2.398 1.00 24.33 C ATOM 661 O TYR A1043 -0.995 43.715 1.303 1.00 25.17 O ATOM 662 CB TYR A1043 -3.641 43.074 2.487 1.00 22.60 C ATOM 663 CG TYR A1043 -4.938 43.396 3.197 1.00 21.83 C ATOM 664 CD1 TYR A1043 -5.215 42.889 4.465 1.00 22.18 C ATOM 665 CD2 TYR A1043 -5.900 44.194 2.587 1.00 21.21 C ATOM 666 CE1 TYR A1043 -6.414 43.182 5.109 1.00 22.26 C ATOM 667 CE2 TYR A1043 -7.091 44.492 3.218 1.00 21.03 C ATOM 668 CZ TYR A1043 -7.348 43.989 4.474 1.00 21.91 C ATOM 669 OH TYR A1043 -8.543 44.306 5.078 1.00 21.67 O ATOM 670 HH TYR A1043 -8.585 43.876 5.969 1.00 0.00 H ATOM 671 H TYR A1043 -2.657 45.592 2.804 1.00 0.00 H ATOM 672 N LEU A1044 -0.299 42.296 2.911 1.00 24.29 N ATOM 673 CA LEU A1044 0.850 41.804 2.150 1.00 25.38 C ATOM 674 C LEU A1044 0.658 40.372 1.659 1.00 23.68 C ATOM 675 O LEU A1044 1.474 39.877 0.887 1.00 23.42 O ATOM 676 CB LEU A1044 2.133 41.896 2.981 1.00 28.20 C ATOM 677 CG LEU A1044 2.575 43.292 3.439 1.00 31.86 C ATOM 678 CD1 LEU A1044 4.009 43.239 3.944 1.00 33.72 C ATOM 679 CD2 LEU A1044 2.449 44.325 2.329 1.00 33.08 C ATOM 680 H LEU A1044 -0.447 41.952 3.881 1.00 0.00 H ATOM 681 N THR A1045 -0.407 39.710 2.108 1.00 22.13 N ATOM 682 CA THR A1045 -0.761 38.381 1.617 1.00 21.71 C ATOM 683 C THR A1045 -2.273 38.248 1.513 1.00 21.03 C ATOM 684 O THR A1045 -3.025 39.010 2.133 1.00 20.28 O ATOM 685 CB THR A1045 -0.267 37.259 2.552 1.00 22.81 C ATOM 686 OG1 THR A1045 -1.015 37.284 3.776 1.00 23.38 O ATOM 687 CG2 THR A1045 1.226 37.396 2.849 1.00 24.23 C ATOM 688 HG1 THR A1045 -0.694 36.562 4.372 1.00 0.00 H ATOM 689 H THR A1045 -1.006 40.154 2.832 1.00 0.00 H ATOM 690 N VAL A1046 -2.719 37.264 0.744 1.00 20.80 N ATOM 691 CA VAL A1046 -4.152 36.983 0.646 1.00 20.99 C ATOM 692 C VAL A1046 -4.645 36.412 1.978 1.00 22.06 C ATOM 693 O VAL A1046 -5.791 36.626 2.365 1.00 21.30 O ATOM 694 CB VAL A1046 -4.484 36.046 -0.533 1.00 21.26 C ATOM 695 CG1 VAL A1046 -5.984 35.788 -0.597 1.00 21.79 C ATOM 696 CG2 VAL A1046 -4.015 36.662 -1.847 1.00 21.39 C ATOM 697 H VAL A1046 -2.043 36.686 0.205 1.00 0.00 H ATOM 698 N LYS A1047 -3.762 35.722 2.697 1.00 23.66 N ATOM 699 CA LYS A1047 -4.078 35.224 4.035 1.00 26.84 C ATOM 700 C LYS A1047 -4.509 36.355 4.979 1.00 25.88 C ATOM 701 O LYS A1047 -5.499 36.216 5.701 1.00 25.45 O ATOM 702 CB LYS A1047 -2.874 34.475 4.612 1.00 31.30 C ATOM 703 CG LYS A1047 -3.198 33.501 5.733 1.00 36.33 C ATOM 704 CD LYS A1047 -1.984 33.210 6.614 1.00 40.85 C ATOM 705 CE LYS A1047 -0.741 32.824 5.821 1.00 43.93 C ATOM 706 NZ LYS A1047 0.478 32.789 6.682 1.00 47.80 N ATOM 707 HZ1 LYS A1047 0.634 33.729 7.098 1.00 0.00 H ATOM 708 HZ2 LYS A1047 0.345 32.091 7.441 1.00 0.00 H ATOM 709 HZ3 LYS A1047 1.301 32.522 6.105 1.00 0.00 H ATOM 710 H LYS A1047 -2.821 35.532 2.296 1.00 0.00 H ATOM 711 N ASP A1048 -3.773 37.468 4.966 1.00 24.97 N ATOM 712 CA ASP A1048 -4.104 38.641 5.787 1.00 26.08 C ATOM 713 C ASP A1048 -5.464 39.231 5.399 1.00 23.50 C ATOM 714 O ASP A1048 -6.251 39.637 6.254 1.00 22.07 O ATOM 715 CB ASP A1048 -3.037 39.735 5.643 1.00 29.44 C ATOM 716 CG ASP A1048 -1.669 39.309 6.161 1.00 34.91 C ATOM 717 OD1 ASP A1048 -1.594 38.628 7.194 1.00 36.29 O ATOM 718 OD2 ASP A1048 -0.657 39.673 5.529 1.00 41.93 O ATOM 719 H ASP A1048 -2.934 37.507 4.352 1.00 0.00 H ATOM 720 N TYR A1049 -5.720 39.285 4.096 1.00 21.63 N ATOM 721 CA TYR A1049 -6.995 39.768 3.563 1.00 20.32 C ATOM 722 C TYR A1049 -8.162 38.901 4.034 1.00 20.48 C ATOM 723 O TYR A1049 -9.178 39.409 4.506 1.00 20.47 O ATOM 724 CB TYR A1049 -6.917 39.786 2.038 1.00 18.93 C ATOM 725 CG TYR A1049 -8.219 40.029 1.324 1.00 18.37 C ATOM 726 CD1 TYR A1049 -8.682 41.324 1.096 1.00 18.00 C ATOM 727 CD2 TYR A1049 -8.972 38.966 0.840 1.00 18.07 C ATOM 728 CE1 TYR A1049 -9.868 41.548 0.423 1.00 17.98 C ATOM 729 CE2 TYR A1049 -10.158 39.180 0.162 1.00 18.04 C ATOM 730 CZ TYR A1049 -10.602 40.469 -0.045 1.00 17.96 C ATOM 731 OH TYR A1049 -11.786 40.670 -0.716 1.00 18.01 O ATOM 732 HH TYR A1049 -11.965 41.641 -0.783 1.00 0.00 H ATOM 733 H TYR A1049 -4.986 38.972 3.429 1.00 0.00 H ATOM 734 N LEU A1050 -8.006 37.588 3.907 1.00 21.35 N ATOM 735 CA LEU A1050 -9.044 36.650 4.322 1.00 22.34 C ATOM 736 C LEU A1050 -9.338 36.695 5.820 1.00 22.84 C ATOM 737 O LEU A1050 -10.448 36.369 6.237 1.00 22.45 O ATOM 738 CB LEU A1050 -8.692 35.226 3.888 1.00 23.41 C ATOM 739 CG LEU A1050 -8.925 34.984 2.399 1.00 24.12 C ATOM 740 CD1 LEU A1050 -8.368 33.627 1.992 1.00 25.70 C ATOM 741 CD2 LEU A1050 -10.405 35.111 2.048 1.00 25.30 C ATOM 742 H LEU A1050 -7.122 37.219 3.502 1.00 0.00 H ATOM 743 N ARG A1051 -8.361 37.107 6.624 1.00 23.70 N ATOM 744 CA ARG A1051 -8.609 37.319 8.047 1.00 26.00 C ATOM 745 C ARG A1051 -9.651 38.412 8.277 1.00 24.17 C ATOM 746 O ARG A1051 -10.481 38.286 9.168 1.00 22.81 O ATOM 747 CB ARG A1051 -7.314 37.619 8.816 1.00 30.11 C ATOM 748 CG ARG A1051 -6.634 36.359 9.328 1.00 36.15 C ATOM 749 CD ARG A1051 -5.486 36.643 10.288 1.00 41.83 C ATOM 750 NE ARG A1051 -4.189 36.381 9.665 1.00 46.99 N ATOM 751 CZ ARG A1051 -3.306 37.304 9.280 1.00 50.85 C ATOM 752 NH1 ARG A1051 -3.535 38.608 9.448 1.00 52.49 N ATOM 753 NH2 ARG A1051 -2.167 36.911 8.721 1.00 52.73 N ATOM 754 HE ARG A1051 -3.932 35.386 9.508 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.828 39.304 9.138 1.00 0.00 H ATOM 756 HH11 ARG A1051 -4.421 38.928 9.889 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.467 37.617 8.415 1.00 0.00 H ATOM 758 HH21 ARG A1051 -1.975 35.897 8.589 1.00 0.00 H ATOM 759 H ARG A1051 -7.412 37.280 6.235 1.00 0.00 H ATOM 760 N ASP A1052 -9.625 39.466 7.463 1.00 22.57 N ATOM 761 CA ASP A1052 -10.639 40.519 7.564 1.00 22.50 C ATOM 762 C ASP A1052 -11.996 40.100 6.992 1.00 21.49 C ATOM 763 O ASP A1052 -13.032 40.489 7.530 1.00 20.17 O ATOM 764 CB ASP A1052 -10.144 41.833 6.944 1.00 23.20 C ATOM 765 CG ASP A1052 -9.303 42.656 7.914 1.00 25.55 C ATOM 766 OD1 ASP A1052 -9.281 42.317 9.120 1.00 26.19 O ATOM 767 OD2 ASP A1052 -8.682 43.654 7.487 1.00 25.72 O ATOM 768 H ASP A1052 -8.875 39.543 6.746 1.00 0.00 H ATOM 769 N ILE A1053 -11.998 39.296 5.928 1.00 21.06 N ATOM 770 CA ILE A1053 -13.253 38.724 5.419 1.00 21.40 C ATOM 771 C ILE A1053 -13.864 37.821 6.496 1.00 21.69 C ATOM 772 O ILE A1053 -15.061 37.907 6.791 1.00 21.25 O ATOM 773 CB ILE A1053 -13.044 37.927 4.107 1.00 21.58 C ATOM 774 CG1 ILE A1053 -12.491 38.829 2.993 1.00 22.22 C ATOM 775 CG2 ILE A1053 -14.347 37.275 3.659 1.00 22.81 C ATOM 776 CD1 ILE A1053 -13.389 39.982 2.585 1.00 23.19 C ATOM 777 H ILE A1053 -11.101 39.071 5.453 1.00 0.00 H ATOM 778 N ASP A1054 -13.035 36.972 7.099 1.00 22.26 N ATOM 779 CA ASP A1054 -13.476 36.118 8.203 1.00 24.25 C ATOM 780 C ASP A1054 -14.064 36.935 9.353 1.00 23.73 C ATOM 781 O ASP A1054 -15.037 36.513 9.976 1.00 24.13 O ATOM 782 CB ASP A1054 -12.318 35.257 8.728 1.00 26.64 C ATOM 783 CG ASP A1054 -11.970 34.107 7.796 1.00 29.95 C ATOM 784 OD1 ASP A1054 -12.773 33.797 6.902 1.00 32.21 O ATOM 785 OD2 ASP A1054 -10.900 33.494 7.970 1.00 34.98 O ATOM 786 H ASP A1054 -12.048 36.914 6.777 1.00 0.00 H ATOM 787 N LEU A1055 -13.465 38.096 9.618 1.00 23.21 N ATOM 788 CA LEU A1055 -13.922 39.006 10.667 1.00 24.13 C ATOM 789 C LEU A1055 -15.310 39.576 10.370 1.00 23.20 C ATOM 790 O LEU A1055 -16.170 39.631 11.252 1.00 23.10 O ATOM 791 CB LEU A1055 -12.910 40.138 10.852 1.00 24.95 C ATOM 792 CG LEU A1055 -13.143 41.182 11.940 1.00 27.00 C ATOM 793 CD1 LEU A1055 -13.284 40.539 13.313 1.00 28.00 C ATOM 794 CD2 LEU A1055 -11.991 42.174 11.917 1.00 27.11 C ATOM 795 H LEU A1055 -12.635 38.367 9.053 1.00 0.00 H ATOM 796 N ILE A1056 -15.543 39.980 9.123 1.00 21.95 N ATOM 797 CA ILE A1056 -16.875 40.432 8.721 1.00 21.79 C ATOM 798 C ILE A1056 -17.904 39.350 9.049 1.00 21.74 C ATOM 799 O ILE A1056 -18.962 39.635 9.612 1.00 22.91 O ATOM 800 CB ILE A1056 -16.945 40.790 7.216 1.00 22.05 C ATOM 801 CG1 ILE A1056 -16.089 42.028 6.917 1.00 22.42 C ATOM 802 CG2 ILE A1056 -18.388 41.051 6.803 1.00 22.93 C ATOM 803 CD1 ILE A1056 -15.863 42.291 5.438 1.00 22.73 C ATOM 804 H ILE A1056 -14.770 39.974 8.427 1.00 0.00 H ATOM 805 N CYS A1057 -17.583 38.106 8.703 1.00 21.73 N ATOM 806 CA CYS A1057 -18.476 36.984 8.947 1.00 22.59 C ATOM 807 C CYS A1057 -18.647 36.709 10.444 1.00 23.07 C ATOM 808 O CYS A1057 -19.768 36.623 10.932 1.00 22.42 O ATOM 809 CB CYS A1057 -17.964 35.731 8.229 1.00 23.81 C ATOM 810 SG CYS A1057 -19.012 34.272 8.409 1.00 27.78 S ATOM 811 H CYS A1057 -16.666 37.931 8.244 1.00 0.00 H ATOM 812 N SER A1058 -17.537 36.576 11.165 1.00 23.41 N ATOM 813 CA SER A1058 -17.600 36.229 12.585 1.00 24.92 C ATOM 814 C SER A1058 -18.304 37.317 13.400 1.00 24.52 C ATOM 815 O SER A1058 -19.058 37.005 14.313 1.00 25.92 O ATOM 816 CB SER A1058 -16.204 35.935 13.148 1.00 26.24 C ATOM 817 OG SER A1058 -15.351 37.058 13.040 1.00 28.70 O ATOM 818 HG SER A1058 -14.462 36.832 13.412 1.00 0.00 H ATOM 819 H SER A1058 -16.612 36.721 10.713 1.00 0.00 H ATOM 820 N ASN A1059 -18.066 38.586 13.061 1.00 23.63 N ATOM 821 CA ASN A1059 -18.797 39.695 13.684 1.00 24.29 C ATOM 822 C ASN A1059 -20.309 39.533 13.531 1.00 24.00 C ATOM 823 O ASN A1059 -21.058 39.715 14.491 1.00 24.08 O ATOM 824 CB ASN A1059 -18.358 41.051 13.110 1.00 24.41 C ATOM 825 CG ASN A1059 -17.003 41.509 13.632 1.00 25.52 C ATOM 826 OD1 ASN A1059 -16.470 40.965 14.603 1.00 27.32 O ATOM 827 ND2 ASN A1059 -16.445 42.530 12.994 1.00 24.90 N ATOM 828 HD22 ASN A1059 -16.927 42.961 12.179 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.525 42.900 13.309 1.00 0.00 H ATOM 830 H ASN A1059 -17.346 38.793 12.339 1.00 0.00 H ATOM 831 N ALA A1060 -20.752 39.175 12.326 1.00 23.38 N ATOM 832 CA ALA A1060 -22.176 38.998 12.055 1.00 23.57 C ATOM 833 C ALA A1060 -22.773 37.836 12.853 1.00 24.42 C ATOM 834 O ALA A1060 -23.890 37.939 13.358 1.00 24.97 O ATOM 835 CB ALA A1060 -22.411 38.800 10.563 1.00 23.34 C ATOM 836 H ALA A1060 -20.067 39.018 11.560 1.00 0.00 H ATOM 837 N LEU A1061 -22.030 36.738 12.976 1.00 25.77 N ATOM 838 CA LEU A1061 -22.506 35.589 13.747 1.00 28.31 C ATOM 839 C LEU A1061 -22.578 35.943 15.234 1.00 29.35 C ATOM 840 O LEU A1061 -23.472 35.489 15.947 1.00 30.24 O ATOM 841 CB LEU A1061 -21.615 34.360 13.529 1.00 29.94 C ATOM 842 CG LEU A1061 -21.379 33.854 12.098 1.00 31.41 C ATOM 843 CD1 LEU A1061 -20.683 32.501 12.130 1.00 33.75 C ATOM 844 CD2 LEU A1061 -22.658 33.763 11.281 1.00 31.27 C ATOM 845 H LEU A1061 -21.098 36.696 12.517 1.00 0.00 H ATOM 846 N GLU A1062 -21.650 36.780 15.688 1.00 29.84 N ATOM 847 CA GLU A1062 -21.612 37.198 17.087 1.00 32.83 C ATOM 848 C GLU A1062 -22.719 38.199 17.416 1.00 31.54 C ATOM 849 O GLU A1062 -23.414 38.045 18.419 1.00 31.28 O ATOM 850 CB GLU A1062 -20.250 37.804 17.427 1.00 35.37 C ATOM 851 CG GLU A1062 -20.066 38.101 18.910 1.00 40.41 C ATOM 852 CD GLU A1062 -18.697 38.659 19.243 1.00 44.04 C ATOM 853 OE1 GLU A1062 -17.880 38.858 18.318 1.00 45.80 O ATOM 854 OE2 GLU A1062 -18.440 38.902 20.441 1.00 49.63 O ATOM 855 H GLU A1062 -20.933 37.146 15.030 1.00 0.00 H ATOM 856 N TYR A1063 -22.874 39.223 16.578 1.00 28.76 N ATOM 857 CA TYR A1063 -23.841 40.289 16.842 1.00 28.93 C ATOM 858 C TYR A1063 -25.296 39.877 16.590 1.00 28.88 C ATOM 859 O TYR A1063 -26.207 40.458 17.181 1.00 29.97 O ATOM 860 CB TYR A1063 -23.509 41.557 16.040 1.00 28.75 C ATOM 861 CG TYR A1063 -24.400 42.721 16.413 1.00 28.62 C ATOM 862 CD1 TYR A1063 -24.234 43.387 17.625 1.00 28.75 C ATOM 863 CD2 TYR A1063 -25.438 43.127 15.580 1.00 27.86 C ATOM 864 CE1 TYR A1063 -25.062 44.440 17.984 1.00 29.10 C ATOM 865 CE2 TYR A1063 -26.270 44.178 15.933 1.00 27.81 C ATOM 866 CZ TYR A1063 -26.077 44.831 17.137 1.00 29.25 C ATOM 867 OH TYR A1063 -26.906 45.874 17.492 1.00 30.36 O ATOM 868 HH TYR A1063 -26.632 46.226 18.376 1.00 0.00 H ATOM 869 H TYR A1063 -22.294 39.266 15.716 1.00 0.00 H ATOM 870 N ASN A1064 -25.512 38.880 15.732 1.00 28.08 N ATOM 871 CA ASN A1064 -26.863 38.430 15.365 1.00 28.12 C ATOM 872 C ASN A1064 -27.052 36.928 15.623 1.00 30.21 C ATOM 873 O ASN A1064 -27.174 36.145 14.684 1.00 29.84 O ATOM 874 CB ASN A1064 -27.138 38.724 13.882 1.00 26.83 C ATOM 875 CG ASN A1064 -26.679 40.108 13.457 1.00 26.08 C ATOM 876 OD1 ASN A1064 -27.422 41.084 13.561 1.00 26.38 O ATOM 877 ND2 ASN A1064 -25.455 40.193 12.954 1.00 25.07 N ATOM 878 HD22 ASN A1064 -24.861 39.342 12.885 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.089 41.111 12.629 1.00 0.00 H ATOM 880 H ASN A1064 -24.693 38.402 15.305 1.00 0.00 H ATOM 881 N PRO A1065 -27.102 36.519 16.902 1.00 33.72 N ATOM 882 CA PRO A1065 -27.103 35.092 17.224 1.00 36.10 C ATOM 883 C PRO A1065 -28.476 34.406 17.240 1.00 40.15 C ATOM 884 O PRO A1065 -28.538 33.174 17.238 1.00 42.07 O ATOM 885 CB PRO A1065 -26.514 35.076 18.636 1.00 37.63 C ATOM 886 CG PRO A1065 -27.015 36.345 19.245 1.00 37.63 C ATOM 887 CD PRO A1065 -27.100 37.351 18.118 1.00 35.34 C ATOM 888 N ASP A1066 -29.560 35.176 17.261 1.00 42.12 N ATOM 889 CA ASP A1066 -30.872 34.616 17.613 1.00 45.75 C ATOM 890 C ASP A1066 -31.511 33.840 16.470 1.00 43.53 C ATOM 891 O ASP A1066 -31.058 33.910 15.324 1.00 43.09 O ATOM 892 CB ASP A1066 -31.818 35.716 18.112 1.00 50.19 C ATOM 893 CG ASP A1066 -31.427 36.250 19.481 1.00 55.22 C ATOM 894 OD1 ASP A1066 -30.953 35.461 20.328 1.00 59.23 O ATOM 895 OD2 ASP A1066 -31.606 37.463 19.718 1.00 60.19 O ATOM 896 H ASP A1066 -29.478 36.186 17.026 1.00 0.00 H ATOM 897 N ARG A1067 -32.562 33.091 16.793 1.00 43.37 N ATOM 898 CA ARG A1067 -33.256 32.289 15.782 1.00 43.62 C ATOM 899 C ARG A1067 -34.266 33.092 14.951 1.00 40.31 C ATOM 900 O ARG A1067 -34.841 32.545 14.009 1.00 39.70 O ATOM 901 CB ARG A1067 -33.892 31.010 16.379 1.00 46.16 C ATOM 902 CG ARG A1067 -34.860 31.160 17.553 1.00 48.25 C ATOM 903 CD ARG A1067 -36.164 31.859 17.205 1.00 49.11 C ATOM 904 NE ARG A1067 -36.785 31.361 15.979 1.00 49.01 N ATOM 905 CZ ARG A1067 -37.766 31.986 15.325 1.00 50.56 C ATOM 906 NH1 ARG A1067 -38.263 33.140 15.774 1.00 49.67 N ATOM 907 NH2 ARG A1067 -38.257 31.455 14.210 1.00 48.93 N ATOM 908 HE ARG A1067 -36.439 30.460 15.591 1.00 0.00 H ATOM 909 HH12 ARG A1067 -39.028 33.615 15.253 1.00 0.00 H ATOM 910 HH11 ARG A1067 -37.886 33.565 16.645 1.00 0.00 H ATOM 911 HH22 ARG A1067 -39.022 31.938 13.697 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.877 30.556 13.851 1.00 0.00 H ATOM 913 H ARG A1067 -32.896 33.074 17.778 1.00 0.00 H ATOM 914 N ASP A1068 -34.468 34.374 15.274 1.00 38.79 N ATOM 915 CA ASP A1068 -35.399 35.212 14.505 1.00 37.08 C ATOM 916 C ASP A1068 -34.940 35.320 13.047 1.00 33.71 C ATOM 917 O ASP A1068 -33.735 35.285 12.777 1.00 31.75 O ATOM 918 CB ASP A1068 -35.589 36.607 15.132 1.00 39.23 C ATOM 919 CG ASP A1068 -34.344 37.476 15.055 1.00 41.83 C ATOM 920 OD1 ASP A1068 -34.114 38.126 14.009 1.00 40.99 O ATOM 921 OD2 ASP A1068 -33.608 37.538 16.059 1.00 47.54 O ATOM 922 H ASP A1068 -33.958 34.785 16.082 1.00 0.00 H ATOM 923 N PRO A1069 -35.896 35.431 12.107 1.00 31.31 N ATOM 924 CA PRO A1069 -35.570 35.423 10.681 1.00 29.88 C ATOM 925 C PRO A1069 -34.571 36.486 10.248 1.00 26.89 C ATOM 926 O PRO A1069 -33.754 36.221 9.375 1.00 26.00 O ATOM 927 CB PRO A1069 -36.923 35.674 10.006 1.00 30.82 C ATOM 928 CG PRO A1069 -37.926 35.186 10.981 1.00 32.22 C ATOM 929 CD PRO A1069 -37.356 35.462 12.335 1.00 32.60 C ATOM 930 N GLY A1070 -34.654 37.679 10.832 1.00 25.89 N ATOM 931 CA GLY A1070 -33.698 38.743 10.536 1.00 25.78 C ATOM 932 C GLY A1070 -32.272 38.302 10.814 1.00 25.90 C ATOM 933 O GLY A1070 -31.395 38.419 9.959 1.00 24.13 O ATOM 934 H GLY A1070 -35.417 37.858 11.515 1.00 0.00 H ATOM 935 N ASP A1071 -32.053 37.772 12.014 1.00 25.79 N ATOM 936 CA ASP A1071 -30.742 37.254 12.399 1.00 26.87 C ATOM 937 C ASP A1071 -30.299 36.107 11.498 1.00 24.99 C ATOM 938 O ASP A1071 -29.147 36.058 11.078 1.00 23.50 O ATOM 939 CB ASP A1071 -30.748 36.784 13.857 1.00 29.12 C ATOM 940 CG ASP A1071 -30.595 37.927 14.843 1.00 32.44 C ATOM 941 OD1 ASP A1071 -30.839 39.095 14.471 1.00 32.28 O ATOM 942 OD2 ASP A1071 -30.216 37.649 15.999 1.00 36.98 O ATOM 943 H ASP A1071 -32.836 37.725 12.697 1.00 0.00 H ATOM 944 N ARG A1072 -31.207 35.179 11.210 1.00 24.77 N ATOM 945 CA ARG A1072 -30.860 34.048 10.351 1.00 25.36 C ATOM 946 C ARG A1072 -30.491 34.498 8.937 1.00 23.22 C ATOM 947 O ARG A1072 -29.573 33.944 8.338 1.00 22.01 O ATOM 948 CB ARG A1072 -31.973 33.002 10.344 1.00 28.30 C ATOM 949 CG ARG A1072 -31.954 32.168 11.615 1.00 32.38 C ATOM 950 CD ARG A1072 -33.064 31.136 11.673 1.00 37.23 C ATOM 951 NE ARG A1072 -32.861 30.196 12.778 1.00 41.85 N ATOM 952 CZ ARG A1072 -33.783 29.356 13.251 1.00 46.74 C ATOM 953 NH1 ARG A1072 -35.010 29.323 12.738 1.00 47.04 N ATOM 954 NH2 ARG A1072 -33.477 28.545 14.260 1.00 48.97 N ATOM 955 HE ARG A1072 -31.924 30.182 13.229 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.716 28.661 13.120 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.264 29.959 11.955 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.191 27.888 14.634 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.524 28.568 14.675 1.00 0.00 H ATOM 960 H ARG A1072 -32.169 35.258 11.598 1.00 0.00 H ATOM 961 N LEU A1073 -31.189 35.512 8.423 1.00 22.06 N ATOM 962 CA LEU A1073 -30.884 36.064 7.099 1.00 21.80 C ATOM 963 C LEU A1073 -29.467 36.644 7.043 1.00 21.47 C ATOM 964 O LEU A1073 -28.687 36.293 6.157 1.00 20.72 O ATOM 965 CB LEU A1073 -31.910 37.135 6.700 1.00 21.95 C ATOM 966 CG LEU A1073 -31.669 37.845 5.358 1.00 21.85 C ATOM 967 CD1 LEU A1073 -31.652 36.854 4.204 1.00 22.38 C ATOM 968 CD2 LEU A1073 -32.721 38.919 5.125 1.00 22.70 C ATOM 969 H LEU A1073 -31.969 35.921 8.975 1.00 0.00 H ATOM 970 N ILE A1074 -29.128 37.517 7.990 1.00 21.71 N ATOM 971 CA ILE A1074 -27.794 38.128 7.983 1.00 22.02 C ATOM 972 C ILE A1074 -26.686 37.096 8.243 1.00 22.72 C ATOM 973 O ILE A1074 -25.633 37.164 7.617 1.00 22.13 O ATOM 974 CB ILE A1074 -27.677 39.361 8.912 1.00 22.44 C ATOM 975 CG1 ILE A1074 -26.355 40.094 8.633 1.00 22.83 C ATOM 976 CG2 ILE A1074 -27.831 38.977 10.382 1.00 22.94 C ATOM 977 CD1 ILE A1074 -26.235 41.451 9.292 1.00 23.62 C ATOM 978 H ILE A1074 -29.809 37.766 8.735 1.00 0.00 H ATOM 979 N ARG A1075 -26.923 36.128 9.129 1.00 23.62 N ATOM 980 CA ARG A1075 -25.940 35.054 9.340 1.00 24.82 C ATOM 981 C ARG A1075 -25.705 34.257 8.058 1.00 24.32 C ATOM 982 O ARG A1075 -24.562 33.944 7.721 1.00 23.85 O ATOM 983 CB ARG A1075 -26.358 34.116 10.479 1.00 26.84 C ATOM 984 CG ARG A1075 -26.265 34.743 11.861 1.00 29.06 C ATOM 985 CD ARG A1075 -26.059 33.691 12.944 1.00 33.35 C ATOM 986 NE ARG A1075 -27.047 32.617 12.900 1.00 35.16 N ATOM 987 CZ ARG A1075 -28.269 32.675 13.426 1.00 39.51 C ATOM 988 NH1 ARG A1075 -28.695 33.768 14.055 1.00 40.99 N ATOM 989 NH2 ARG A1075 -29.078 31.626 13.323 1.00 41.36 N ATOM 990 HE ARG A1075 -26.775 31.736 12.419 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.653 33.795 14.460 1.00 0.00 H ATOM 992 HH11 ARG A1075 -28.070 34.595 14.142 1.00 0.00 H ATOM 993 HH22 ARG A1075 -30.034 31.664 13.731 1.00 0.00 H ATOM 994 HH21 ARG A1075 -28.756 30.767 12.834 1.00 0.00 H ATOM 995 H ARG A1075 -27.809 36.132 9.674 1.00 0.00 H ATOM 996 N HIS A1076 -26.782 33.940 7.338 1.00 23.04 N ATOM 997 CA HIS A1076 -26.657 33.236 6.061 1.00 22.95 C ATOM 998 C HIS A1076 -25.845 34.057 5.057 1.00 21.52 C ATOM 999 O HIS A1076 -24.976 33.526 4.365 1.00 21.20 O ATOM 1000 CB HIS A1076 -28.035 32.895 5.472 1.00 23.46 C ATOM 1001 CG HIS A1076 -27.971 31.958 4.304 1.00 25.06 C ATOM 1002 ND1 HIS A1076 -27.922 32.397 2.998 1.00 25.75 N ATOM 1003 CD2 HIS A1076 -27.924 30.606 4.248 1.00 26.49 C ATOM 1004 CE1 HIS A1076 -27.855 31.355 2.187 1.00 26.34 C ATOM 1005 NE2 HIS A1076 -27.856 30.257 2.921 1.00 27.32 N ATOM 1006 H HIS A1076 -27.726 34.197 7.690 1.00 0.00 H ATOM 1007 N ARG A1077 -26.131 35.354 4.990 1.00 20.25 N ATOM 1008 CA ARG A1077 -25.415 36.250 4.088 1.00 19.91 C ATOM 1009 C ARG A1077 -23.940 36.355 4.461 1.00 19.90 C ATOM 1010 O ARG A1077 -23.074 36.376 3.589 1.00 19.33 O ATOM 1011 CB ARG A1077 -26.053 37.634 4.110 1.00 20.03 C ATOM 1012 CG ARG A1077 -27.390 37.672 3.405 1.00 20.27 C ATOM 1013 CD ARG A1077 -28.120 38.968 3.675 1.00 20.86 C ATOM 1014 NE ARG A1077 -29.232 39.134 2.751 1.00 21.74 N ATOM 1015 CZ ARG A1077 -30.070 40.164 2.747 1.00 22.73 C ATOM 1016 NH1 ARG A1077 -29.936 41.152 3.625 1.00 22.58 N ATOM 1017 NH2 ARG A1077 -31.052 40.200 1.854 1.00 23.08 N ATOM 1018 HE ARG A1077 -29.382 38.390 2.040 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.599 41.953 3.611 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.168 41.124 4.326 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -31.714 41.002 1.841 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.159 39.426 1.167 1.00 0.00 H ATOM 1023 H ARG A1077 -26.884 35.739 5.596 1.00 0.00 H ATOM 1024 N ALA A1078 -23.673 36.409 5.761 1.00 19.92 N ATOM 1025 CA ALA A1078 -22.304 36.451 6.277 1.00 20.97 C ATOM 1026 C ALA A1078 -21.501 35.220 5.873 1.00 21.66 C ATOM 1027 O ALA A1078 -20.358 35.337 5.416 1.00 22.08 O ATOM 1028 CB ALA A1078 -22.327 36.586 7.788 1.00 21.70 C ATOM 1029 H ALA A1078 -24.464 36.422 6.436 1.00 0.00 H ATOM 1030 N CYS A1079 -22.094 34.042 6.045 1.00 23.45 N ATOM 1031 CA CYS A1079 -21.447 32.799 5.632 1.00 25.12 C ATOM 1032 C CYS A1079 -21.285 32.740 4.113 1.00 23.29 C ATOM 1033 O CYS A1079 -20.262 32.270 3.620 1.00 21.80 O ATOM 1034 CB CYS A1079 -22.216 31.581 6.143 1.00 28.39 C ATOM 1035 SG CYS A1079 -22.133 31.411 7.943 1.00 34.11 S ATOM 1036 H CYS A1079 -23.037 34.005 6.482 1.00 0.00 H ATOM 1037 N ALA A1080 -22.285 33.231 3.382 1.00 21.57 N ATOM 1038 CA ALA A1080 -22.214 33.292 1.922 1.00 21.41 C ATOM 1039 C ALA A1080 -21.092 34.216 1.446 1.00 20.87 C ATOM 1040 O ALA A1080 -20.397 33.894 0.485 1.00 21.34 O ATOM 1041 CB ALA A1080 -23.553 33.725 1.333 1.00 21.45 C ATOM 1042 H ALA A1080 -23.139 33.580 3.862 1.00 0.00 H ATOM 1043 N LEU A1081 -20.919 35.353 2.119 1.00 20.94 N ATOM 1044 CA LEU A1081 -19.840 36.292 1.797 1.00 21.11 C ATOM 1045 C LEU A1081 -18.494 35.601 1.951 1.00 20.62 C ATOM 1046 O LEU A1081 -17.658 35.645 1.053 1.00 19.32 O ATOM 1047 CB LEU A1081 -19.897 37.519 2.711 1.00 22.71 C ATOM 1048 CG LEU A1081 -18.744 38.522 2.610 1.00 24.65 C ATOM 1049 CD1 LEU A1081 -18.854 39.319 1.330 1.00 25.70 C ATOM 1050 CD2 LEU A1081 -18.736 39.448 3.819 1.00 27.03 C ATOM 1051 H LEU A1081 -21.570 35.582 2.897 1.00 0.00 H ATOM 1052 N ARG A1082 -18.313 34.959 3.101 1.00 21.24 N ATOM 1053 CA ARG A1082 -17.093 34.212 3.413 1.00 22.30 C ATOM 1054 C ARG A1082 -16.835 33.125 2.375 1.00 21.58 C ATOM 1055 O ARG A1082 -15.742 33.029 1.815 1.00 20.60 O ATOM 1056 CB ARG A1082 -17.222 33.584 4.805 1.00 24.40 C ATOM 1057 CG ARG A1082 -16.082 32.670 5.234 1.00 26.54 C ATOM 1058 CD ARG A1082 -16.537 31.765 6.369 1.00 29.31 C ATOM 1059 NE ARG A1082 -17.536 30.797 5.922 1.00 31.23 N ATOM 1060 CZ ARG A1082 -18.463 30.258 6.707 1.00 32.82 C ATOM 1061 NH1 ARG A1082 -18.536 30.599 7.987 1.00 33.94 N ATOM 1062 NH2 ARG A1082 -19.325 29.383 6.210 1.00 33.68 N ATOM 1063 HE ARG A1082 -17.521 30.511 4.922 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -19.263 30.175 8.598 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -17.866 31.291 8.380 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -20.050 28.961 6.824 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -19.276 29.118 5.206 1.00 0.00 H ATOM 1068 H ARG A1082 -19.072 34.989 3.811 1.00 0.00 H ATOM 1069 N ASP A1083 -17.847 32.297 2.135 1.00 21.32 N ATOM 1070 CA ASP A1083 -17.727 31.194 1.184 1.00 21.81 C ATOM 1071 C ASP A1083 -17.426 31.697 -0.228 1.00 20.34 C ATOM 1072 O ASP A1083 -16.625 31.096 -0.944 1.00 19.72 O ATOM 1073 CB ASP A1083 -19.000 30.347 1.169 1.00 24.33 C ATOM 1074 CG ASP A1083 -19.183 29.524 2.438 1.00 27.37 C ATOM 1075 OD1 ASP A1083 -18.244 29.428 3.260 1.00 29.77 O ATOM 1076 OD2 ASP A1083 -20.285 28.970 2.610 1.00 29.78 O ATOM 1077 H ASP A1083 -18.747 32.438 2.637 1.00 0.00 H ATOM 1078 N THR A1084 -18.063 32.799 -0.616 1.00 19.24 N ATOM 1079 CA THR A1084 -17.867 33.373 -1.945 1.00 19.28 C ATOM 1080 C THR A1084 -16.438 33.890 -2.119 1.00 18.94 C ATOM 1081 O THR A1084 -15.812 33.656 -3.159 1.00 19.83 O ATOM 1082 CB THR A1084 -18.896 34.485 -2.224 1.00 19.41 C ATOM 1083 OG1 THR A1084 -20.212 33.918 -2.208 1.00 20.03 O ATOM 1084 CG2 THR A1084 -18.662 35.138 -3.578 1.00 19.92 C ATOM 1085 HG1 THR A1084 -20.386 33.516 -1.320 1.00 0.00 H ATOM 1086 H THR A1084 -18.718 33.264 0.045 1.00 0.00 H ATOM 1087 N ALA A1085 -15.924 34.583 -1.108 1.00 18.74 N ATOM 1088 CA ALA A1085 -14.545 35.082 -1.149 1.00 18.60 C ATOM 1089 C ALA A1085 -13.549 33.931 -1.271 1.00 18.78 C ATOM 1090 O ALA A1085 -12.663 33.957 -2.133 1.00 17.85 O ATOM 1091 CB ALA A1085 -14.242 35.919 0.077 1.00 19.05 C ATOM 1092 H ALA A1085 -16.511 34.775 -0.271 1.00 0.00 H ATOM 1093 N TYR A1086 -13.713 32.914 -0.430 1.00 19.69 N ATOM 1094 CA TYR A1086 -12.842 31.735 -0.481 1.00 21.16 C ATOM 1095 C TYR A1086 -12.932 30.985 -1.814 1.00 21.26 C ATOM 1096 O TYR A1086 -11.926 30.498 -2.312 1.00 21.83 O ATOM 1097 CB TYR A1086 -13.135 30.782 0.686 1.00 23.08 C ATOM 1098 CG TYR A1086 -12.428 31.149 1.976 1.00 24.29 C ATOM 1099 CD1 TYR A1086 -12.961 32.091 2.843 1.00 24.76 C ATOM 1100 CD2 TYR A1086 -11.222 30.543 2.329 1.00 27.46 C ATOM 1101 CE1 TYR A1086 -12.325 32.425 4.028 1.00 26.43 C ATOM 1102 CE2 TYR A1086 -10.573 30.870 3.513 1.00 28.20 C ATOM 1103 CZ TYR A1086 -11.131 31.811 4.361 1.00 27.83 C ATOM 1104 OH TYR A1086 -10.496 32.138 5.538 1.00 29.23 O ATOM 1105 HH TYR A1086 -11.027 32.821 6.019 1.00 0.00 H ATOM 1106 H TYR A1086 -14.474 32.955 0.278 1.00 0.00 H ATOM 1107 N ALA A1087 -14.130 30.894 -2.388 1.00 20.75 N ATOM 1108 CA ALA A1087 -14.314 30.224 -3.678 1.00 21.02 C ATOM 1109 C ALA A1087 -13.631 30.979 -4.826 1.00 20.58 C ATOM 1110 O ALA A1087 -12.986 30.368 -5.690 1.00 20.58 O ATOM 1111 CB ALA A1087 -15.794 30.049 -3.971 1.00 21.92 C ATOM 1112 H ALA A1087 -14.955 31.308 -1.909 1.00 0.00 H ATOM 1113 N ILE A1088 -13.772 32.304 -4.835 1.00 19.71 N ATOM 1114 CA ILE A1088 -13.109 33.128 -5.846 1.00 19.83 C ATOM 1115 C ILE A1088 -11.601 32.930 -5.747 1.00 20.29 C ATOM 1116 O ILE A1088 -10.927 32.690 -6.751 1.00 20.56 O ATOM 1117 CB ILE A1088 -13.468 34.623 -5.695 1.00 20.29 C ATOM 1118 CG1 ILE A1088 -14.921 34.860 -6.121 1.00 21.24 C ATOM 1119 CG2 ILE A1088 -12.522 35.492 -6.520 1.00 20.34 C ATOM 1120 CD1 ILE A1088 -15.463 36.221 -5.749 1.00 21.35 C ATOM 1121 H ILE A1088 -14.363 32.760 -4.111 1.00 0.00 H ATOM 1122 N ILE A1089 -11.083 33.018 -4.525 1.00 20.19 N ATOM 1123 CA ILE A1089 -9.658 32.840 -4.273 1.00 21.44 C ATOM 1124 C ILE A1089 -9.187 31.442 -4.685 1.00 22.25 C ATOM 1125 O ILE A1089 -8.142 31.303 -5.322 1.00 22.06 O ATOM 1126 CB ILE A1089 -9.316 33.169 -2.795 1.00 22.69 C ATOM 1127 CG1 ILE A1089 -9.410 34.690 -2.605 1.00 22.61 C ATOM 1128 CG2 ILE A1089 -7.913 32.705 -2.434 1.00 23.40 C ATOM 1129 CD1 ILE A1089 -9.526 35.146 -1.171 1.00 23.05 C ATOM 1130 H ILE A1089 -11.715 33.220 -3.724 1.00 0.00 H ATOM 1131 N LYS A1090 -9.955 30.413 -4.342 1.00 23.36 N ATOM 1132 CA LYS A1090 -9.597 29.045 -4.725 1.00 25.77 C ATOM 1133 C LYS A1090 -9.448 28.916 -6.242 1.00 26.33 C ATOM 1134 O LYS A1090 -8.532 28.251 -6.732 1.00 26.22 O ATOM 1135 CB LYS A1090 -10.640 28.047 -4.218 1.00 28.45 C ATOM 1136 CG LYS A1090 -10.236 26.589 -4.392 1.00 32.08 C ATOM 1137 CD LYS A1090 -11.347 25.649 -3.950 1.00 35.85 C ATOM 1138 CE LYS A1090 -10.939 24.191 -4.113 1.00 39.99 C ATOM 1139 NZ LYS A1090 -12.005 23.270 -3.633 1.00 42.62 N ATOM 1140 HZ1 LYS A1090 -12.189 23.450 -2.626 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.874 23.433 -4.180 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.694 22.286 -3.759 1.00 0.00 H ATOM 1143 H LYS A1090 -10.823 30.581 -3.794 1.00 0.00 H ATOM 1144 N GLU A1091 -10.344 29.561 -6.980 1.00 26.38 N ATOM 1145 CA GLU A1091 -10.347 29.452 -8.434 1.00 28.40 C ATOM 1146 C GLU A1091 -9.329 30.348 -9.119 1.00 26.68 C ATOM 1147 O GLU A1091 -8.839 29.993 -10.184 1.00 28.03 O ATOM 1148 CB GLU A1091 -11.733 29.763 -8.999 1.00 32.37 C ATOM 1149 CG GLU A1091 -12.739 28.657 -8.761 1.00 38.11 C ATOM 1150 CD GLU A1091 -13.993 28.819 -9.594 1.00 46.77 C ATOM 1151 OE1 GLU A1091 -14.620 29.895 -9.512 1.00 49.93 O ATOM 1152 OE2 GLU A1091 -14.358 27.866 -10.323 1.00 51.85 O ATOM 1153 H GLU A1091 -11.057 30.155 -6.512 1.00 0.00 H ATOM 1154 N GLU A1092 -9.018 31.500 -8.523 1.00 23.68 N ATOM 1155 CA GLU A1092 -8.304 32.563 -9.240 1.00 23.51 C ATOM 1156 C GLU A1092 -6.937 32.962 -8.683 1.00 23.61 C ATOM 1157 O GLU A1092 -6.156 33.609 -9.387 1.00 24.71 O ATOM 1158 CB GLU A1092 -9.209 33.789 -9.334 1.00 23.22 C ATOM 1159 CG GLU A1092 -10.527 33.470 -10.026 1.00 23.61 C ATOM 1160 CD GLU A1092 -11.475 34.642 -10.073 1.00 23.76 C ATOM 1161 OE1 GLU A1092 -11.013 35.793 -10.031 1.00 23.55 O ATOM 1162 OE2 GLU A1092 -12.698 34.410 -10.157 1.00 25.43 O ATOM 1163 H GLU A1092 -9.287 31.648 -7.529 1.00 0.00 H ATOM 1164 N LEU A1093 -6.642 32.587 -7.442 1.00 22.66 N ATOM 1165 CA LEU A1093 -5.337 32.869 -6.857 1.00 23.18 C ATOM 1166 C LEU A1093 -4.353 31.763 -7.205 1.00 24.12 C ATOM 1167 O LEU A1093 -4.592 30.597 -6.901 1.00 24.73 O ATOM 1168 CB LEU A1093 -5.440 32.989 -5.338 1.00 23.30 C ATOM 1169 CG LEU A1093 -4.130 33.197 -4.567 1.00 24.17 C ATOM 1170 CD1 LEU A1093 -3.447 34.490 -4.978 1.00 24.40 C ATOM 1171 CD2 LEU A1093 -4.410 33.176 -3.076 1.00 24.93 C ATOM 1172 H LEU A1093 -7.356 32.083 -6.878 1.00 0.00 H ATOM 1173 N ASP A1094 -3.237 32.134 -7.823 1.00 24.50 N ATOM 1174 CA ASP A1094 -2.159 31.184 -8.060 1.00 26.14 C ATOM 1175 C ASP A1094 -1.425 30.948 -6.740 1.00 24.69 C ATOM 1176 O ASP A1094 -0.994 31.898 -6.089 1.00 22.82 O ATOM 1177 CB ASP A1094 -1.205 31.713 -9.130 1.00 27.94 C ATOM 1178 CG ASP A1094 -0.189 30.674 -9.565 1.00 31.69 C ATOM 1179 OD1 ASP A1094 0.630 30.250 -8.722 1.00 33.20 O ATOM 1180 OD2 ASP A1094 -0.205 30.287 -10.750 1.00 32.58 O ATOM 1181 H ASP A1094 -3.132 33.118 -8.142 1.00 0.00 H ATOM 1182 N GLU A1095 -1.297 29.683 -6.347 1.00 25.85 N ATOM 1183 CA GLU A1095 -0.657 29.329 -5.072 1.00 28.40 C ATOM 1184 C GLU A1095 0.792 29.817 -4.996 1.00 26.04 C ATOM 1185 O GLU A1095 1.271 30.180 -3.917 1.00 24.62 O ATOM 1186 CB GLU A1095 -0.690 27.812 -4.844 1.00 33.92 C ATOM 1187 CG GLU A1095 -2.076 27.235 -4.600 1.00 40.05 C ATOM 1188 CD GLU A1095 -2.100 25.715 -4.671 1.00 48.46 C ATOM 1189 OE1 GLU A1095 -1.034 25.083 -4.491 1.00 51.27 O ATOM 1190 OE2 GLU A1095 -3.188 25.147 -4.912 1.00 55.09 O ATOM 1191 H GLU A1095 -1.660 28.924 -6.959 1.00 0.00 H ATOM 1192 N ASP A1096 1.485 29.822 -6.133 1.00 24.56 N ATOM 1193 CA ASP A1096 2.872 30.294 -6.172 1.00 25.20 C ATOM 1194 C ASP A1096 2.962 31.807 -5.991 1.00 23.79 C ATOM 1195 O ASP A1096 3.953 32.305 -5.457 1.00 22.52 O ATOM 1196 CB ASP A1096 3.566 29.880 -7.471 1.00 26.28 C ATOM 1197 CG ASP A1096 3.797 28.381 -7.560 1.00 29.56 C ATOM 1198 OD1 ASP A1096 3.961 27.735 -6.510 1.00 31.37 O ATOM 1199 OD2 ASP A1096 3.818 27.849 -8.687 1.00 32.99 O ATOM 1200 H ASP A1096 1.035 29.485 -7.008 1.00 0.00 H ATOM 1201 N PHE A1097 1.935 32.535 -6.435 1.00 22.55 N ATOM 1202 CA PHE A1097 1.869 33.974 -6.181 1.00 22.41 C ATOM 1203 C PHE A1097 1.692 34.256 -4.687 1.00 22.15 C ATOM 1204 O PHE A1097 2.401 35.092 -4.117 1.00 21.80 O ATOM 1205 CB PHE A1097 0.750 34.640 -6.987 1.00 22.27 C ATOM 1206 CG PHE A1097 0.655 36.117 -6.752 1.00 22.50 C ATOM 1207 CD1 PHE A1097 1.465 36.993 -7.457 1.00 23.22 C ATOM 1208 CD2 PHE A1097 -0.215 36.629 -5.800 1.00 22.48 C ATOM 1209 CE1 PHE A1097 1.397 38.358 -7.230 1.00 23.34 C ATOM 1210 CE2 PHE A1097 -0.285 37.993 -5.566 1.00 22.31 C ATOM 1211 CZ PHE A1097 0.522 38.857 -6.283 1.00 22.41 C ATOM 1212 H PHE A1097 1.171 32.073 -6.969 1.00 0.00 H ATOM 1213 N GLU A1098 0.753 33.558 -4.054 1.00 21.72 N ATOM 1214 CA GLU A1098 0.555 33.686 -2.616 1.00 22.33 C ATOM 1215 C GLU A1098 1.823 33.322 -1.847 1.00 22.34 C ATOM 1216 O GLU A1098 2.186 34.006 -0.892 1.00 21.59 O ATOM 1217 CB GLU A1098 -0.613 32.812 -2.148 1.00 22.77 C ATOM 1218 CG GLU A1098 -0.834 32.762 -0.640 1.00 23.76 C ATOM 1219 CD GLU A1098 -1.123 34.114 -0.003 1.00 24.52 C ATOM 1220 OE1 GLU A1098 -1.337 35.111 -0.725 1.00 24.20 O ATOM 1221 OE2 GLU A1098 -1.150 34.184 1.243 1.00 27.02 O ATOM 1222 H GLU A1098 0.148 32.908 -4.596 1.00 0.00 H ATOM 1223 N GLN A1099 2.481 32.241 -2.256 1.00 22.53 N ATOM 1224 CA GLN A1099 3.714 31.805 -1.591 1.00 23.73 C ATOM 1225 C GLN A1099 4.803 32.869 -1.684 1.00 23.34 C ATOM 1226 O GLN A1099 5.510 33.123 -0.707 1.00 23.80 O ATOM 1227 CB GLN A1099 4.213 30.483 -2.178 1.00 24.94 C ATOM 1228 CG GLN A1099 5.376 29.863 -1.416 1.00 26.59 C ATOM 1229 CD GLN A1099 5.014 29.470 0.007 1.00 29.27 C ATOM 1230 OE1 GLN A1099 3.882 29.073 0.284 1.00 30.61 O ATOM 1231 NE2 GLN A1099 5.979 29.568 0.915 1.00 30.75 N ATOM 1232 HE22 GLN A1099 6.922 29.908 0.637 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.792 29.304 1.903 1.00 0.00 H ATOM 1234 H GLN A1099 2.115 31.695 -3.062 1.00 0.00 H ATOM 1235 N LEU A1100 4.931 33.496 -2.852 1.00 22.53 N ATOM 1236 CA LEU A1100 5.878 34.597 -3.033 1.00 22.86 C ATOM 1237 C LEU A1100 5.569 35.755 -2.078 1.00 23.22 C ATOM 1238 O LEU A1100 6.467 36.272 -1.398 1.00 22.82 O ATOM 1239 CB LEU A1100 5.869 35.083 -4.487 1.00 23.04 C ATOM 1240 CG LEU A1100 6.755 36.290 -4.816 1.00 23.58 C ATOM 1241 CD1 LEU A1100 8.198 36.056 -4.389 1.00 23.81 C ATOM 1242 CD2 LEU A1100 6.682 36.618 -6.298 1.00 24.61 C ATOM 1243 H LEU A1100 4.343 33.196 -3.656 1.00 0.00 H ATOM 1244 N CYS A1101 4.298 36.153 -2.018 1.00 22.24 N ATOM 1245 CA CYS A1101 3.869 37.203 -1.093 1.00 22.86 C ATOM 1246 C CYS A1101 4.251 36.868 0.344 1.00 23.96 C ATOM 1247 O CYS A1101 4.779 37.715 1.067 1.00 24.81 O ATOM 1248 CB CYS A1101 2.357 37.415 -1.177 1.00 22.65 C ATOM 1249 SG CYS A1101 1.808 38.228 -2.690 1.00 23.01 S ATOM 1250 H CYS A1101 3.596 35.707 -2.642 1.00 0.00 H ATOM 1251 N GLU A1102 3.976 35.634 0.754 1.00 25.15 N ATOM 1252 CA GLU A1102 4.259 35.200 2.120 1.00 27.14 C ATOM 1253 C GLU A1102 5.758 35.228 2.418 1.00 27.83 C ATOM 1254 O GLU A1102 6.171 35.616 3.517 1.00 28.05 O ATOM 1255 CB GLU A1102 3.663 33.812 2.390 1.00 28.90 C ATOM 1256 CG GLU A1102 2.139 33.824 2.488 1.00 31.83 C ATOM 1257 CD GLU A1102 1.525 32.459 2.758 1.00 36.49 C ATOM 1258 OE1 GLU A1102 2.256 31.540 3.185 1.00 39.85 O ATOM 1259 OE2 GLU A1102 0.296 32.305 2.548 1.00 36.63 O ATOM 1260 H GLU A1102 3.549 34.961 0.086 1.00 0.00 H ATOM 1261 N GLU A1103 6.571 34.850 1.436 1.00 27.09 N ATOM 1262 CA GLU A1103 8.026 34.859 1.611 1.00 28.34 C ATOM 1263 C GLU A1103 8.610 36.271 1.638 1.00 30.07 C ATOM 1264 O GLU A1103 9.535 36.536 2.406 1.00 32.77 O ATOM 1265 CB GLU A1103 8.706 33.960 0.569 1.00 27.32 C ATOM 1266 CG GLU A1103 8.430 32.495 0.871 1.00 27.08 C ATOM 1267 CD GLU A1103 9.010 31.518 -0.130 1.00 26.77 C ATOM 1268 OE1 GLU A1103 9.846 31.903 -0.973 1.00 26.23 O ATOM 1269 OE2 GLU A1103 8.623 30.336 -0.053 1.00 27.38 O ATOM 1270 H GLU A1103 6.167 34.543 0.528 1.00 0.00 H ATOM 1271 N ILE A1104 8.055 37.188 0.849 1.00 29.33 N ATOM 1272 CA ILE A1104 8.469 38.590 0.926 1.00 30.70 C ATOM 1273 C ILE A1104 8.081 39.163 2.293 1.00 33.69 C ATOM 1274 O ILE A1104 8.886 39.830 2.936 1.00 34.07 O ATOM 1275 CB ILE A1104 7.854 39.461 -0.188 1.00 30.29 C ATOM 1276 CG1 ILE A1104 8.301 38.980 -1.571 1.00 29.65 C ATOM 1277 CG2 ILE A1104 8.265 40.920 -0.009 1.00 31.36 C ATOM 1278 CD1 ILE A1104 7.445 39.512 -2.700 1.00 29.54 C ATOM 1279 H ILE A1104 7.319 36.905 0.170 1.00 0.00 H ATOM 1280 N GLN A1105 6.852 38.890 2.731 1.00 34.51 N ATOM 1281 CA GLN A1105 6.362 39.368 4.030 1.00 37.11 C ATOM 1282 C GLN A1105 7.247 38.899 5.185 1.00 40.31 C ATOM 1283 O GLN A1105 7.579 39.683 6.075 1.00 41.65 O ATOM 1284 CB GLN A1105 4.924 38.896 4.272 1.00 36.79 C ATOM 1285 CG GLN A1105 4.298 39.426 5.559 1.00 39.01 C ATOM 1286 CD GLN A1105 2.950 38.793 5.863 1.00 39.34 C ATOM 1287 OE1 GLN A1105 2.787 37.577 5.753 1.00 40.05 O ATOM 1288 NE2 GLN A1105 1.981 39.612 6.263 1.00 39.48 N ATOM 1289 HE22 GLN A1105 2.163 40.633 6.342 1.00 0.00 H ATOM 1290 HE21 GLN A1105 1.042 39.231 6.497 1.00 0.00 H ATOM 1291 H GLN A1105 6.220 38.320 2.133 1.00 0.00 H ATOM 1292 N GLU A1106 7.619 37.621 5.165 1.00 42.60 N ATOM 1293 CA GLU A1106 8.439 37.030 6.228 1.00 47.36 C ATOM 1294 C GLU A1106 9.890 37.526 6.230 1.00 48.82 C ATOM 1295 O GLU A1106 10.580 37.408 7.243 1.00 49.13 O ATOM 1296 CB GLU A1106 8.401 35.500 6.142 1.00 50.28 C ATOM 1297 CG GLU A1106 7.069 34.912 6.587 1.00 55.05 C ATOM 1298 CD GLU A1106 6.903 33.438 6.248 1.00 60.76 C ATOM 1299 OE1 GLU A1106 7.857 32.813 5.738 1.00 63.06 O ATOM 1300 OE2 GLU A1106 5.803 32.897 6.497 1.00 63.51 O ATOM 1301 H GLU A1106 7.318 37.022 4.370 1.00 0.00 H ATOM 1302 N SER A1107 10.346 38.080 5.107 1.00 49.11 N ATOM 1303 CA SER A1107 11.685 38.674 5.023 1.00 52.77 C ATOM 1304 C SER A1107 11.753 40.090 5.614 1.00 56.18 C ATOM 1305 O SER A1107 12.843 40.643 5.759 1.00 56.44 O ATOM 1306 CB SER A1107 12.163 38.708 3.568 1.00 51.09 C ATOM 1307 OG SER A1107 11.495 39.717 2.829 1.00 48.92 O ATOM 1308 HG SER A1107 11.825 39.714 1.896 1.00 0.00 H ATOM 1309 H SER A1107 9.735 38.092 4.266 1.00 0.00 H ATOM 1310 N ARG A1108 10.598 40.674 5.937 1.00 59.23 N ATOM 1311 CA ARG A1108 10.529 42.022 6.505 1.00 64.57 C ATOM 1312 C ARG A1108 10.236 41.979 8.002 1.00 68.94 C ATOM 1313 O ARG A1108 9.624 41.039 8.514 1.00 70.02 O ATOM 1314 CB ARG A1108 9.459 42.842 5.780 1.00 63.94 C ATOM 1315 CG ARG A1108 9.661 42.873 4.274 1.00 63.55 C ATOM 1316 CD ARG A1108 8.765 43.878 3.569 1.00 63.46 C ATOM 1317 NE ARG A1108 9.215 44.106 2.194 1.00 62.99 N ATOM 1318 CZ ARG A1108 8.593 44.876 1.302 1.00 62.86 C ATOM 1319 NH1 ARG A1108 9.099 45.007 0.080 1.00 61.75 N ATOM 1320 NH2 ARG A1108 7.466 45.511 1.617 1.00 63.82 N ATOM 1321 OXT ARG A1108 10.611 42.890 8.740 1.00 73.73 O ATOM 1322 HE ARG A1108 10.088 43.630 1.890 1.00 0.00 H ATOM 1323 HH12 ARG A1108 8.618 45.607 -0.620 1.00 0.00 H ATOM 1324 HH11 ARG A1108 9.976 44.510 -0.176 1.00 0.00 H ATOM 1325 HH22 ARG A1108 6.991 46.109 0.911 1.00 0.00 H ATOM 1326 HH21 ARG A1108 7.061 45.409 2.569 1.00 0.00 H ATOM 1327 H ARG A1108 9.712 40.152 5.779 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -0.449 41.998 5.600 1.00 34.67 O HETATM 1330 O HOH 2 -2.634 47.854 -7.395 1.00 48.57 O HETATM 1331 O HOH 3 -2.718 51.696 -12.794 1.00 55.15 O HETATM 1332 O HOH 4 5.829 38.985 -8.649 1.00 46.40 O HETATM 1333 O HOH 5 12.509 39.937 0.550 1.00 44.17 O HETATM 1334 O HOH 6 -8.483 33.886 8.501 1.00 49.06 O HETATM 1335 O HOH 7 -37.659 29.124 13.442 1.00 38.66 O HETATM 1336 O HOH 8 -13.987 32.248 -10.543 1.00 39.86 O HETATM 1337 O HOH 9 -12.818 53.581 4.712 1.00 45.84 O HETATM 1338 O HOH 10 3.231 50.385 -5.661 1.00 56.70 O HETATM 1339 O HOH 11 -31.578 42.303 -1.618 1.00 45.17 O HETATM 1340 O HOH 12 11.537 35.188 3.335 1.00 40.44 O HETATM 1341 O HOH 13 -1.296 34.586 -10.939 1.00 55.92 O HETATM 1342 O HOH 14 4.256 48.219 -1.498 1.00 51.66 O HETATM 1343 O HOH 15 -10.496 37.052 11.472 1.00 27.79 O HETATM 1344 O HOH 16 0.691 36.584 -11.392 1.00 34.24 O HETATM 1345 O HOH 17 -30.653 39.492 17.823 1.00 46.21 O HETATM 1346 O HOH 18 -28.080 30.351 11.236 1.00 55.64 O HETATM 1347 O HOH 19 -18.241 44.113 11.536 1.00 32.63 O HETATM 1348 O HOH 20 -29.664 44.328 2.106 1.00 40.12 O HETATM 1349 O HOH 21 -21.831 42.310 12.092 1.00 21.90 O HETATM 1350 O HOH 22 -8.173 43.815 11.017 1.00 34.92 O HETATM 1351 O HOH 23 -34.522 34.449 7.544 1.00 30.96 O HETATM 1352 O HOH 24 -4.751 44.155 9.128 1.00 57.74 O HETATM 1353 O HOH 25 -24.030 45.038 -2.244 1.00 25.40 O HETATM 1354 O HOH 26 0.217 36.095 5.830 1.00 29.29 O HETATM 1355 O HOH 27 -19.826 44.273 8.272 1.00 30.68 O HETATM 1356 O HOH 28 -20.407 39.820 -8.063 1.00 36.97 O HETATM 1357 O HOH 29 -8.538 45.666 -9.317 1.00 22.01 O HETATM 1358 O HOH 30 -17.177 35.432 -9.358 1.00 41.84 O HETATM 1359 O HOH 31 -12.856 36.136 12.613 1.00 34.45 O HETATM 1360 O HOH 32 -23.155 50.388 -0.094 1.00 43.27 O HETATM 1361 O HOH 33 8.772 39.579 -6.004 1.00 44.32 O HETATM 1362 O HOH 34 -5.206 38.331 -10.834 1.00 28.16 O HETATM 1363 O HOH 35 -21.091 27.718 5.014 1.00 59.65 O HETATM 1364 O HOH 36 -16.611 48.593 10.101 1.00 37.96 O HETATM 1365 O HOH 37 10.779 47.409 -2.062 1.00 63.84 O HETATM 1366 O HOH 38 -30.449 29.771 14.747 1.00 53.39 O HETATM 1367 O HOH 39 -17.620 43.671 23.346 1.00 60.23 O HETATM 1368 O HOH 40 10.093 32.860 4.202 1.00 52.26 O HETATM 1369 O HOH 41 -12.103 47.930 13.352 1.00 43.79 O HETATM 1370 O HOH 42 -21.744 33.467 -4.421 1.00 33.73 O HETATM 1371 O HOH 43 -34.999 41.451 15.671 1.00 50.05 O HETATM 1372 O HOH 44 -39.270 34.002 18.171 1.00 41.76 O HETATM 1373 O HOH 45 -21.416 46.473 7.865 1.00 28.06 O HETATM 1374 O HOH 46 -8.299 40.477 10.904 1.00 46.10 O HETATM 1375 O HOH 47 -9.242 39.161 -8.884 1.00 38.87 O HETATM 1376 O HOH 48 -29.589 44.317 -0.856 1.00 35.11 O HETATM 1377 O HOH 49 -15.966 28.485 -0.389 1.00 26.44 O HETATM 1378 O HOH 50 -22.902 51.421 17.297 1.00 46.22 O HETATM 1379 O HOH 51 3.857 48.041 -4.259 1.00 40.76 O HETATM 1380 O HOH 52 -14.260 43.337 -9.810 1.00 39.34 O HETATM 1381 O HOH 53 -20.369 42.001 9.827 1.00 23.78 O HETATM 1382 O HOH 54 -13.468 28.898 4.707 1.00 58.13 O HETATM 1383 O HOH 55 -14.814 41.938 16.593 1.00 28.26 O HETATM 1384 O HOH 56 -15.774 38.434 15.491 1.00 30.05 O HETATM 1385 O HOH 57 9.426 28.679 2.021 1.00 32.46 O HETATM 1386 O HOH 58 -27.735 34.741 1.517 1.00 25.39 O HETATM 1387 O HOH 59 2.533 47.167 -11.321 1.00 33.99 O HETATM 1388 O HOH 60 4.303 50.143 0.889 1.00 57.51 O HETATM 1389 O HOH 61 -26.461 41.470 19.772 1.00 34.94 O HETATM 1390 O HOH 62 -9.758 29.529 -0.838 1.00 32.35 O HETATM 1391 O HOH 63 -20.117 52.675 12.528 1.00 43.33 O HETATM 1392 O HOH 64 1.995 28.554 -10.754 1.00 49.56 O HETATM 1393 O HOH 65 -6.566 33.875 6.809 1.00 36.68 O HETATM 1394 O HOH 66 -28.010 43.725 20.458 1.00 34.10 O HETATM 1395 O HOH 67 -5.624 41.117 8.561 1.00 39.39 O HETATM 1396 O HOH 68 -27.397 42.704 2.582 1.00 22.89 O HETATM 1397 O HOH 69 0.198 29.059 -1.571 1.00 47.22 O HETATM 1398 O HOH 70 -18.642 34.589 15.699 1.00 34.80 O HETATM 1399 O HOH 71 -36.554 38.803 12.769 1.00 45.10 O HETATM 1400 O HOH 72 -6.570 35.685 -11.256 1.00 33.41 O HETATM 1401 O HOH 73 -15.166 52.631 5.875 1.00 55.62 O HETATM 1402 O HOH 74 -1.212 31.597 -13.047 1.00 39.53 O HETATM 1403 O HOH 75 -24.091 50.096 6.874 1.00 31.76 O HETATM 1404 O HOH 76 -35.225 35.087 17.921 1.00 48.48 O HETATM 1405 O HOH 77 -23.798 31.453 -2.567 1.00 44.55 O HETATM 1406 O HOH 78 -19.916 44.762 25.314 1.00 44.84 O HETATM 1407 O HOH 79 -23.339 35.908 20.298 1.00 43.64 O HETATM 1408 O HOH 80 -9.561 55.360 3.110 1.00 58.72 O HETATM 1409 O HOH 81 -18.220 48.491 -0.157 1.00 32.53 O HETATM 1410 O HOH 82 -30.494 46.059 16.699 1.00 55.92 O HETATM 1411 O HOH 83 -25.291 46.241 -6.348 1.00 51.85 O HETATM 1412 O HOH 84 -33.282 44.836 5.012 1.00 46.27 O HETATM 1413 O HOH 85 -25.158 47.546 7.670 1.00 31.73 O HETATM 1414 O HOH 86 -26.275 31.420 17.335 1.00 50.78 O HETATM 1415 O HOH 87 -24.528 32.850 15.550 1.00 49.76 O HETATM 1416 O HOH 88 -4.611 26.600 -6.940 1.00 53.86 O HETATM 1417 O HOH 89 -26.926 38.154 -5.711 1.00 51.84 O HETATM 1418 O HOH 90 -6.008 28.681 -5.283 1.00 50.73 O HETATM 1419 O HOH 91 -23.567 48.643 4.520 1.00 26.68 O HETATM 1420 O HOH 92 -21.822 48.377 -3.619 1.00 40.31 O HETATM 1421 O HOH 93 -19.909 29.326 10.184 1.00 70.38 O HETATM 1422 O HOH 94 -24.659 30.775 3.545 1.00 34.32 O HETATM 1423 O HOH 95 3.949 34.938 5.533 1.00 54.82 O HETATM 1424 O HOH 96 -32.566 45.703 12.396 1.00 42.24 O HETATM 1425 O HOH 97 -28.847 48.596 20.023 1.00 53.78 O HETATM 1426 O HOH 98 -9.249 54.138 -0.227 1.00 48.45 O HETATM 1427 O HOH 99 -27.080 33.163 -0.639 1.00 28.01 O HETATM 1428 O HOH 100 11.609 42.534 1.721 1.00 63.62 O HETATM 1429 O HOH 101 1.178 29.951 0.878 1.00 47.62 O HETATM 1430 O HOH 102 -2.907 42.705 7.604 1.00 44.36 O HETATM 1431 O HOH 103 7.159 42.603 -12.516 1.00 50.89 O HETATM 1432 O HOH 104 -22.160 53.977 6.924 1.00 50.54 O HETATM 1433 O HOH 105 -1.534 38.544 -13.634 1.00 24.68 O HETATM 1434 O HOH 106 -7.912 47.376 10.781 1.00 43.54 O HETATM 1435 O HOH 107 -9.094 27.312 -11.295 1.00 48.84 O HETATM 1436 O HOH 108 3.900 27.386 -3.616 1.00 48.51 O HETATM 1437 O HOH 109 -26.529 40.868 -6.974 1.00 35.18 O HETATM 1438 O HOH 110 -2.210 27.533 -8.108 1.00 38.52 O HETATM 1439 O HOH 111 -7.594 31.731 5.528 1.00 44.17 O HETATM 1440 O HOH 112 -16.121 31.532 -7.599 1.00 49.90 O HETATM 1441 O HOH 113 -2.811 46.015 0.791 1.00 22.57 O HETATM 1442 O HOH 114 -28.920 34.223 22.055 1.00 55.17 O HETATM 1443 O HOH 115 -22.679 29.891 1.167 1.00 48.79 O HETATM 1444 O HOH 116 -16.263 28.559 -7.464 1.00 56.66 O HETATM 1445 O HOH 117 -4.340 26.104 -2.370 1.00 61.69 O HETATM 1446 O HOH 118 -13.291 52.635 0.607 1.00 38.13 O HETATM 1447 O HOH 119 -15.287 33.562 9.999 1.00 38.16 O HETATM 1448 O HOH 120 -26.465 55.952 17.983 1.00 55.68 O HETATM 1449 O HOH 121 -32.182 48.539 13.331 1.00 49.87 O HETATM 1450 O HOH 122 -16.886 36.214 17.378 1.00 50.15 O HETATM 1451 O HOH 123 -21.853 55.108 9.913 1.00 54.72 O HETATM 1452 O HOH 124 -24.631 39.588 20.659 1.00 37.35 O HETATM 1453 O HOH 125 0.352 46.088 -0.300 1.00 24.99 O HETATM 1454 O HOH 126 4.791 25.139 -7.728 1.00 44.78 O HETATM 1455 O HOH 127 -20.272 37.927 -5.194 1.00 41.78 O HETATM 1456 O HOH 128 13.671 40.608 -5.446 1.00 70.65 O HETATM 1457 O HOH 129 -36.259 31.836 11.463 1.00 39.56 O HETATM 1458 O HOH 130 -16.008 41.064 19.114 1.00 37.55 O HETATM 1459 O HOH 131 -7.284 54.168 1.966 1.00 39.64 O HETATM 1460 O HOH 132 -13.234 48.988 10.143 1.00 47.06 O HETATM 1461 O HOH 133 -28.394 53.452 7.290 1.00 59.80 O HETATM 1462 O HOH 134 -12.247 40.628 16.978 1.00 45.74 O HETATM 1463 O HOH 135 -18.106 38.118 -9.628 1.00 43.04 O HETATM 1464 O HOH 136 14.828 41.690 -2.048 1.00 63.10 O HETATM 1465 O HOH 137 -2.514 51.686 -3.147 1.00 52.73 O HETATM 1466 O HOH 138 4.317 26.995 -11.536 1.00 52.00 O HETATM 1467 O HOH 139 -13.892 27.514 -6.063 1.00 41.29 O HETATM 1468 O HOH 140 14.775 38.152 -9.686 1.00 69.75 O HETATM 1469 O HOH 141 -23.261 54.091 18.583 1.00 50.02 O HETATM 1470 O HOH 142 1.351 25.215 -6.343 1.00 68.24 O HETATM 1471 O HOH 143 -2.417 28.235 -11.005 1.00 58.18 O HETATM 1472 O HOH 144 -32.972 32.799 19.782 1.00 50.42 O HETATM 1473 O HOH 145 7.508 49.236 -8.733 1.00 61.39 O HETATM 1474 O HOH 146 -21.564 31.448 -1.043 1.00 49.22 O HETATM 1475 O HOH 147 -19.182 48.538 11.171 1.00 40.18 O HETATM 1476 O HOH 148 0.714 27.209 -8.503 1.00 61.23 O HETATM 1477 O HOH 149 2.962 42.399 7.102 1.00 48.22 O HETATM 1478 O HOH 150 -17.342 53.992 4.311 1.00 55.49 O HETATM 1479 O HOH 151 -0.029 45.946 7.823 1.00 64.38 O HETATM 1480 O HOH 152 -19.741 49.353 -9.509 1.00 61.69 O HETATM 1481 O HOH 153 -40.648 33.948 13.937 1.00 50.65 O HETATM 1482 O HOH 154 -8.217 40.743 18.014 1.00 55.67 O HETATM 1483 O HOH 155 -19.953 46.050 10.577 1.00 59.41 O HETATM 1484 O HOH 156 15.048 46.507 -8.160 1.00 70.39 O HETATM 1485 O HOH 157 -30.408 28.360 11.982 1.00 73.40 O HETATM 1486 O HOH 158 -15.375 28.264 2.585 1.00 56.97 O HETATM 1487 O HOH 159 -15.927 47.939 -1.114 1.00 39.22 O HETATM 1488 O HOH 160 -19.630 40.618 22.935 1.00 63.82 O HETATM 1489 O HOH 161 -24.303 42.964 -9.596 1.00 53.48 O HETATM 1490 O HOH 162 -24.093 51.667 23.330 1.00 66.42 O HETATM 1491 O HOH 163 -24.885 50.336 2.549 1.00 46.70 O HETATM 1492 O HOH 164 1.551 50.087 5.519 1.00 65.51 O HETATM 1493 O HOH 165 -31.982 54.582 11.902 1.00 63.87 O HETATM 1494 O HOH 166 -4.911 55.105 0.287 1.00 55.24 O HETATM 1495 O HOH 167 13.021 35.472 5.785 1.00 54.21 O HETATM 1496 O HOH 168 8.818 33.624 8.961 1.00 67.94 O HETATM 1497 O HOH 169 -15.345 51.548 -1.174 1.00 52.01 O HETATM 1498 O HOH 170 7.380 50.891 -5.950 1.00 61.55 O HETATM 1499 O HOH 171 -19.552 30.015 -2.563 1.00 47.70 O HETATM 1500 O HOH 172 -10.414 50.791 7.609 1.00 49.52 O HETATM 1501 O HOH 173 -25.890 46.650 -3.463 1.00 38.31 O HETATM 1502 O HOH 174 -34.519 44.163 10.914 1.00 50.03 O HETATM 1503 O HOH 175 -17.728 32.512 10.885 1.00 55.93 O HETATM 1504 O HOH 176 -24.797 48.781 25.544 1.00 49.72 O HETATM 1505 O HOH 177 3.543 37.983 9.220 1.00 62.63 O HETATM 1506 O HOH 178 -9.315 34.449 11.047 1.00 39.17 O HETATM 1507 O HOH 179 -13.744 27.407 -1.562 1.00 36.13 O HETATM 1508 O HOH 180 -12.078 48.897 16.082 1.00 47.99 O HETATM 1509 O HOH 181 -11.155 46.528 -9.027 1.00 28.00 O HETATM 1510 O HOH 182 0.116 53.572 1.129 1.00 55.69 O HETATM 1511 O HOH 183 -9.047 38.995 13.223 1.00 52.69 O HETATM 1512 O HOH 184 9.824 29.911 4.567 1.00 47.25 O HETATM 1513 O HOH 185 2.952 46.785 0.378 1.00 34.31 O HETATM 1514 O HOH 186 -20.667 33.535 17.461 1.00 46.74 O HETATM 1515 O HOH 187 -12.853 48.100 -7.162 1.00 52.48 O HETATM 1516 O HOH 188 -13.937 54.971 2.254 1.00 53.45 O HETATM 1517 O HOH 189 -18.303 48.634 -5.310 1.00 59.46 O HETATM 1518 O HOH 190 -9.771 24.602 -0.743 1.00 68.86 O HETATM 1519 O HOH 191 4.480 47.789 2.644 1.00 60.04 O HETATM 1520 O HOH 192 -15.510 47.933 -4.582 1.00 44.42 O HETATM 1521 O HOH 193 -7.316 28.705 -2.002 1.00 50.13 O HETATM 1522 O HOH 194 -25.536 30.842 -0.207 1.00 39.79 O HETATM 1523 O HOH 195 -3.552 46.728 10.009 1.00 57.51 O HETATM 1524 O HOH 196 -8.055 51.858 6.720 1.00 42.88 O HETATM 1525 O HOH 197 -8.233 42.183 -12.126 1.00 28.26 O HETATM 1526 O HOH 198 -14.656 26.224 -3.849 1.00 39.72 O HETATM 1527 O HOH 199 -20.968 35.240 -6.719 1.00 53.81 O HETATM 1528 O HOH 200 -28.980 46.540 3.874 1.00 45.07 O HETATM 1529 O HOH 201 -11.475 56.252 5.205 1.00 60.85 O HETATM 1530 O HOH 202 -18.339 27.526 -1.642 1.00 47.55 O HETATM 1531 O HOH 203 -11.219 27.196 -0.030 1.00 47.25 O HETATM 1532 O HOH 204 15.827 47.894 -5.594 1.00 70.90 O HETATM 1533 O HOH 205 -13.937 26.095 7.278 1.00 56.16 O HETATM 1534 O HOH 206 -5.280 48.750 11.321 1.00 66.75 O HETATM 1535 O HOH 207 2.977 52.855 -4.223 1.00 62.91 O HETATM 1536 O HOH 208 -12.165 35.820 15.342 1.00 56.31 O HETATM 1537 O HOH 209 6.523 45.042 5.645 1.00 61.41 O HETATM 1538 O HOH 210 -19.237 31.118 -5.149 1.00 57.08 O HETATM 1539 O HOH 211 -27.168 47.784 5.681 1.00 44.20 O HETATM 1540 O HOH 212 -5.541 42.862 11.734 1.00 71.38 O HETATM 1541 O HOH 213 -20.131 49.969 -1.711 1.00 54.40 O HETATM 1542 O HOH 214 -28.816 46.343 -3.348 1.00 63.08 O HETATM 1543 O HOH 215 -33.761 45.158 15.185 1.00 59.12 O HETATM 1544 O HOH 216 -41.795 34.951 17.297 1.00 47.47 O HETATM 1545 O HOH 217 -13.152 33.345 12.098 1.00 50.23 O HETATM 1546 O HOH 218 -21.163 52.385 15.138 1.00 43.23 O HETATM 1547 O HOH 219 -12.032 25.620 -7.493 1.00 53.51 O HETATM 1548 O HOH 220 -27.320 50.167 4.028 1.00 57.14 O HETATM 1549 O HOH 221 -25.846 52.279 6.264 1.00 43.80 O HETATM 1550 O HOH 222 -13.931 50.679 13.459 1.00 68.54 O HETATM 1551 O HOH 223 -35.036 32.077 9.075 1.00 33.89 O HETATM 1552 O HOH 224 -23.293 30.692 13.966 1.00 54.78 O HETATM 1553 O HOH 225 -13.208 38.173 16.663 1.00 44.25 O HETATM 1554 O HOH 226 -18.567 50.199 13.205 1.00 46.39 O HETATM 1555 O HOH 227 -14.494 34.721 16.687 1.00 54.54 O HETATM 1556 O HOH 228 -2.634 29.745 -1.889 1.00 39.81 O HETATM 1557 O HOH 229 -32.397 46.975 9.002 1.00 54.88 O HETATM 1558 O HOH 230 -18.245 33.395 -6.972 1.00 60.49 O HETATM 1559 O HOH 231 -4.968 31.795 0.381 1.00 56.72 O HETATM 1560 O HOH 232 -16.194 51.089 11.576 1.00 46.30 O HETATM 1561 O HOH 233 -14.581 32.750 14.568 1.00 56.04 O HETATM 1562 O HOH 234 -12.434 54.009 -1.951 1.00 66.59 O HETATM 1563 O HOH 235 -17.446 32.672 13.874 1.00 54.18 O HETATM 1564 O HOH 236 -31.464 46.716 6.264 1.00 49.78 O HETATM 1565 O HOH 237 -18.231 54.502 11.168 1.00 54.14 O HETATM 1566 O HOH 238 0.819 48.869 8.160 1.00 62.23 O HETATM 1567 O HOH 239 -14.497 39.344 23.254 1.00 72.19 O HETATM 1568 O HOH 240 -19.982 55.127 5.061 1.00 65.72 O HETATM 1569 O HOH 241 -23.270 57.733 17.186 1.00 58.52 O HETATM 1570 O HOH 242 -24.783 54.272 2.185 1.00 61.83 O HETATM 1571 O HOH 243 -8.122 28.258 2.564 1.00 67.92 O HETATM 1572 O HOH 244 -18.728 28.323 -6.067 1.00 60.30 O HETATM 1573 O HOH 245 -17.449 26.467 -4.241 1.00 52.63 O HETATM 1574 O HOH 246 -10.728 26.776 2.927 1.00 73.09 O HETATM 1575 O HOH 247 -41.365 37.814 18.527 1.00 49.28 O HETATM 1576 O HOH 248 14.269 34.037 11.360 1.00 74.82 O HETATM 1577 O HOH 249 -9.394 34.932 15.751 1.00 59.96 O HETATM 1578 C13 UNN A 250 -32.552 41.731 13.592 1.00 -0.00 C HETATM 1579 N11 UNN A 250 -32.378 41.165 14.929 1.00 0.23 N HETATM 1580 C08 UNN A 250 -31.716 42.109 15.828 1.00 -0.00 C HETATM 1581 C06 UNN A 250 -30.336 42.463 15.283 1.00 0.12 C HETATM 1582 O05 UNN A 250 -29.663 43.377 16.155 1.00 -0.37 O HETATM 1583 C01 UNN A 250 -29.115 42.773 17.326 1.00 0.04 C HETATM 1584 H6 UNN A 250 -28.619 43.541 17.937 1.00 0.05 H HETATM 1585 H7 UNN A 250 -28.382 42.007 17.034 1.00 0.05 H HETATM 1586 H8 UNN A 250 -29.922 42.306 17.909 1.00 0.05 H HETATM 1587 C39 UNN A 250 -30.456 43.082 13.903 1.00 0.10 C HETATM 1588 C16 UNN A 250 -31.205 42.121 12.998 1.00 0.12 C HETATM 1589 O18 UNN A 250 -31.386 42.731 11.718 1.00 -0.37 O HETATM 1590 C19 UNN A 250 -31.552 41.818 10.630 1.00 0.05 C HETATM 1591 C22 UNN A 250 -31.407 42.540 9.315 1.00 -0.02 C HETATM 1592 C24 UNN A 250 -30.025 43.174 9.193 1.00 -0.04 C HETATM 1593 C27 UNN A 250 -29.837 43.878 7.849 1.00 0.01 C HETATM 1594 C30 UNN A 250 -30.093 42.912 6.733 1.00 0.25 C HETATM 1595 F31 UNN A 250 -29.964 43.558 5.530 1.00 -0.21 F HETATM 1596 F32 UNN A 250 -29.104 41.959 6.716 1.00 -0.21 F HETATM 1597 C33 UNN A 250 -31.430 42.240 6.797 1.00 0.01 C HETATM 1598 C36 UNN A 250 -31.625 41.568 8.157 1.00 -0.04 C HETATM 1599 H21 UNN A 250 -32.650 41.173 8.214 1.00 0.03 H HETATM 1600 H22 UNN A 250 -30.907 40.740 8.249 1.00 0.03 H HETATM 1601 H19 UNN A 250 -31.491 41.479 6.005 1.00 0.03 H HETATM 1602 H20 UNN A 250 -32.220 42.990 6.647 1.00 0.03 H HETATM 1603 H17 UNN A 250 -28.807 44.257 7.776 1.00 0.03 H HETATM 1604 H18 UNN A 250 -30.543 44.718 7.774 1.00 0.03 H HETATM 1605 H4 UNN A 250 -29.263 42.387 9.292 1.00 0.03 H HETATM 1606 H5 UNN A 250 -29.899 43.910 10.001 1.00 0.03 H HETATM 1607 H3 UNN A 250 -32.167 43.334 9.263 1.00 0.03 H HETATM 1608 H15 UNN A 250 -30.788 41.030 10.698 1.00 0.06 H HETATM 1609 H16 UNN A 250 -32.552 41.364 10.687 1.00 0.06 H HETATM 1610 H14 UNN A 250 -30.602 41.209 12.876 1.00 0.07 H HETATM 1611 N41 UNN A 250 -29.129 43.326 13.373 1.00 -0.30 N HETATM 1612 C43 UNN A 250 -28.774 44.344 12.566 1.00 0.14 C HETATM 1613 N44 UNN A 250 -29.702 45.300 12.322 1.00 -0.30 N HETATM 1614 C45 UNN A 250 -29.394 46.337 11.534 1.00 -0.01 C HETATM 1615 C47 UNN A 250 -28.177 46.532 10.901 1.00 -0.01 C HETATM 1616 C48 UNN A 250 -27.949 47.754 10.077 1.00 -0.00 C HETATM 1617 C49 UNN A 250 -26.907 48.626 10.369 1.00 0.01 C HETATM 1618 N51 UNN A 250 -26.656 49.744 9.681 1.00 -0.31 N HETATM 1619 C52 UNN A 250 -27.476 50.046 8.669 1.00 0.01 C HETATM 1620 C54 UNN A 250 -28.559 49.269 8.294 1.00 -0.02 C HETATM 1621 C55 UNN A 250 -29.452 49.665 7.143 1.00 -0.03 C HETATM 1622 H28 UNN A 250 -30.244 48.912 7.018 1.00 0.04 H HETATM 1623 H29 UNN A 250 -28.856 49.726 6.221 1.00 0.04 H HETATM 1624 H30 UNN A 250 -29.906 50.645 7.352 1.00 0.04 H HETATM 1625 C59 UNN A 250 -28.788 48.114 9.027 1.00 -0.04 C HETATM 1626 H31 UNN A 250 -29.633 47.482 8.778 1.00 0.07 H HETATM 1627 H27 UNN A 250 -27.281 50.953 8.109 1.00 0.07 H HETATM 1628 H26 UNN A 250 -26.259 48.385 11.204 1.00 0.08 H HETATM 1629 C61 UNN A 250 -27.176 45.574 11.135 1.00 0.01 C HETATM 1630 C62 UNN A 250 -25.854 45.617 10.565 1.00 -0.04 C HETATM 1631 C64 UNN A 250 -24.932 44.662 10.816 1.00 0.03 C HETATM 1632 C65 UNN A 250 -23.556 44.728 10.202 1.00 -0.02 C HETATM 1633 H33 UNN A 250 -23.476 45.631 9.579 1.00 0.04 H HETATM 1634 H34 UNN A 250 -23.389 43.837 9.579 1.00 0.04 H HETATM 1635 H35 UNN A 250 -22.800 44.765 11.000 1.00 0.04 H HETATM 1636 C69 UNN A 250 -25.263 43.544 11.684 1.00 0.22 C HETATM 1637 O70 UNN A 250 -24.495 42.628 11.973 1.00 -0.40 O HETATM 1638 N71 UNN A 250 -26.517 43.530 12.184 1.00 -0.23 N HETATM 1639 C73 UNN A 250 -27.493 44.487 11.968 1.00 0.13 C HETATM 1640 H36 UNN A 250 -26.764 42.755 12.765 1.00 0.24 H HETATM 1641 H32 UNN A 250 -25.589 46.446 9.911 1.00 0.06 H HETATM 1642 H25 UNN A 250 -30.161 47.087 11.378 1.00 0.07 H HETATM 1643 H24 UNN A 250 -28.390 42.660 13.638 1.00 0.18 H HETATM 1644 H23 UNN A 250 -31.006 44.032 13.969 1.00 0.06 H HETATM 1645 H9 UNN A 250 -29.741 41.541 15.209 1.00 0.07 H HETATM 1646 H10 UNN A 250 -32.322 43.023 15.908 1.00 0.08 H HETATM 1647 H11 UNN A 250 -31.609 41.652 16.823 1.00 0.08 H HETATM 1648 H12 UNN A 250 -31.818 40.330 14.861 1.00 0.20 H HETATM 1649 H13 UNN A 250 -33.283 40.933 15.307 1.00 0.20 H HETATM 1650 H1 UNN A 250 -33.191 42.624 13.657 1.00 0.08 H HETATM 1651 H2 UNN A 250 -33.031 40.984 12.942 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1578 1579 1588 1650 1651 CONECT 1579 1578 1580 1648 1649 CONECT 1580 1579 1581 1646 1647 CONECT 1581 1580 1582 1587 1645 CONECT 1582 1581 1583 CONECT 1583 1582 1584 1585 1586 CONECT 1584 1583 CONECT 1585 1583 CONECT 1586 1583 CONECT 1587 1581 1588 1611 1644 CONECT 1588 1578 1587 1589 1610 CONECT 1589 1588 1590 CONECT 1590 1589 1591 1608 1609 CONECT 1591 1590 1592 1598 1607 CONECT 1592 1591 1593 1605 1606 CONECT 1593 1592 1594 1603 1604 CONECT 1594 1593 1595 1596 1597 CONECT 1595 1594 CONECT 1596 1594 CONECT 1597 1594 1598 1601 1602 CONECT 1598 1591 1597 1599 1600 CONECT 1599 1598 CONECT 1600 1598 CONECT 1601 1597 CONECT 1602 1597 CONECT 1603 1593 CONECT 1604 1593 CONECT 1605 1592 CONECT 1606 1592 CONECT 1607 1591 CONECT 1608 1590 CONECT 1609 1590 CONECT 1610 1588 CONECT 1611 1587 1612 1643 CONECT 1612 1611 1613 1639 CONECT 1613 1612 1614 CONECT 1614 1613 1615 1642 CONECT 1615 1614 1616 1629 CONECT 1616 1615 1617 1625 CONECT 1617 1616 1618 1628 CONECT 1618 1617 1619 CONECT 1619 1618 1620 1627 CONECT 1620 1619 1621 1625 CONECT 1621 1620 1622 1623 1624 CONECT 1622 1621 CONECT 1623 1621 CONECT 1624 1621 CONECT 1625 1616 1620 1626 CONECT 1626 1625 CONECT 1627 1619 CONECT 1628 1617 CONECT 1629 1615 1630 1639 CONECT 1630 1629 1631 1641 CONECT 1631 1630 1632 1636 CONECT 1632 1631 1633 1634 1635 CONECT 1633 1632 CONECT 1634 1632 CONECT 1635 1632 CONECT 1636 1631 1637 1638 CONECT 1637 1636 CONECT 1638 1636 1639 1640 CONECT 1639 1612 1629 1638 CONECT 1640 1638 CONECT 1641 1630 CONECT 1642 1614 CONECT 1643 1611 CONECT 1644 1587 CONECT 1645 1581 CONECT 1646 1580 CONECT 1647 1580 CONECT 1648 1579 CONECT 1649 1579 CONECT 1650 1578 CONECT 1651 1578 MASTER 0 0 0 0 0 0 0 0 1650 1 78 10 END
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Related entries of code: 5lj0
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
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PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
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PDBbind
130aa, >6S55_1|Chain... at 100%
4qsu
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130aa, >4QSU_1|Chain... *
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
4tt2
RCSB PDB
PDBbind
130aa, >4TT2_1|Chain... at 100%
4tte
RCSB PDB
PDBbind
130aa, >4TTE_1|Chain... at 100%
4tu4
RCSB PDB
PDBbind
130aa, >4TU4_1|Chain... at 100%
4tyl
RCSB PDB
PDBbind
130aa, >4TYL_1|Chain... at 100%
4tz2
RCSB PDB
PDBbind
130aa, >4TZ2_1|Chain... at 100%
4tz8
RCSB PDB
PDBbind
130aa, >4TZ8_1|Chain... at 100%
5a5o
RCSB PDB
PDBbind
130aa, >5A5O_1|Chain... at 100%
5a5p
RCSB PDB
PDBbind
130aa, >5A5P_1|Chain... at 100%
5a5q
RCSB PDB
PDBbind
130aa, >5A5Q_1|Chain... at 100%
5a5r
RCSB PDB
PDBbind
130aa, >5A5R_1|Chain... at 100%
5a81
RCSB PDB
PDBbind
130aa, >5A81_1|Chain... at 100%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5lj1
RCSB PDB
PDBbind
6XX
Entry Information
PDB ID
5lj0
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATPase family AAA domain-containing protein 2, human ATAD2 bromodomain
Ligand Name
6XX
EC.Number
E.C.3.6.1.3
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
IC50=10nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Angew.Chem.Int.Ed.Engl. Vol. 55: pp. 11382-11386
Ligand Properties
Formula
C
2
8
H
3
6
F
2
N
5
O
3
Molecular Weight
528.614
Exact Mass
528.279
No. of atoms
74
No. of bonds
78
Polar Surface Area
105.74
LOGP Value
3.25 (
Computed with XLOGP3
)
4.83 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 7
No. of Nitrogen and Oxygen Atoms: 8
No. of Rings: 5
Canonical SMILES
CO[C@H]1C[NH2+]C[C@H]([C@@H]1Nc1ncc(c2c1[nH]c(=O)c(c2)C)c1cncc(c1)C)OCC1CCC(CC1)(F)F
InChI String
InChI=1S/C28H35F2N5O3/c1-16-8-19(11-31-10-16)21-12-33-26(24-20(21)9-17(2)27(36)35-24)34-25-22(37-3)13-32-14-23(25)38-15-18-4-6-28(29,30)7-5-18/h8-12,18,22-23,25,32H,4-7,13-15H2,1-3H3,(H,33,34)(H,35,36)/p+1/t22-,23+,25+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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