Browse entries in the PDBbind-CN Database
HEADER 5A81_COMPLEX COMPND 5A81_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 335 58 ATOM 1 N SER A 979 12.909 46.117 -3.412 1.00 60.64 N ATOM 2 CA SER A 979 13.279 46.355 -4.836 1.00 64.14 C ATOM 3 C SER A 979 12.048 46.687 -5.671 1.00 64.97 C ATOM 4 O SER A 979 10.921 46.553 -5.199 1.00 64.95 O ATOM 5 CB SER A 979 13.963 45.116 -5.417 1.00 65.25 C ATOM 6 OG SER A 979 13.025 44.071 -5.627 1.00 61.62 O ATOM 7 HG SER A 979 13.490 43.282 -6.002 1.00 0.00 H ATOM 8 HN3 SER A 979 12.243 45.320 -3.357 1.00 0.00 H ATOM 9 HN2 SER A 979 12.462 46.972 -3.024 1.00 0.00 H ATOM 10 HN1 SER A 979 13.765 45.893 -2.865 1.00 0.00 H ATOM 11 N MET A 980 12.278 47.105 -6.915 1.00 65.14 N ATOM 12 CA MET A 980 11.196 47.405 -7.859 1.00 62.22 C ATOM 13 C MET A 980 10.341 46.173 -8.149 1.00 59.64 C ATOM 14 O MET A 980 9.129 46.282 -8.335 1.00 57.64 O ATOM 15 CB MET A 980 11.767 47.946 -9.174 1.00 60.88 C ATOM 16 H MET A 980 13.262 47.223 -7.229 1.00 0.00 H ATOM 17 N GLN A 981 10.979 45.005 -8.178 1.00 57.24 N ATOM 18 CA GLN A 981 10.288 43.747 -8.457 1.00 55.24 C ATOM 19 C GLN A 981 9.355 43.367 -7.305 1.00 49.56 C ATOM 20 O GLN A 981 8.262 42.844 -7.533 1.00 44.58 O ATOM 21 CB GLN A 981 11.288 42.611 -8.718 1.00 60.57 C ATOM 22 CG GLN A 981 12.265 42.870 -9.863 1.00 64.81 C ATOM 23 CD GLN A 981 13.522 43.608 -9.424 1.00 68.46 C ATOM 24 OE1 GLN A 981 13.825 44.696 -9.920 1.00 69.25 O ATOM 25 NE2 GLN A 981 14.254 43.025 -8.479 1.00 69.33 N ATOM 26 HE22 GLN A 981 13.962 42.107 -8.088 1.00 0.00 H ATOM 27 HE21 GLN A 981 15.118 43.487 -8.131 1.00 0.00 H ATOM 28 H GLN A 981 12.003 44.987 -7.996 1.00 0.00 H ATOM 29 N GLU A 982 9.787 43.630 -6.073 1.00 45.17 N ATOM 30 CA GLU A 982 8.937 43.406 -4.907 1.00 44.24 C ATOM 31 C GLU A 982 7.773 44.397 -4.869 1.00 41.21 C ATOM 32 O GLU A 982 6.663 44.033 -4.481 1.00 37.12 O ATOM 33 CB GLU A 982 9.753 43.476 -3.617 1.00 46.41 C ATOM 34 CG GLU A 982 10.787 42.367 -3.521 1.00 49.95 C ATOM 35 CD GLU A 982 11.495 42.323 -2.182 1.00 53.96 C ATOM 36 OE1 GLU A 982 11.445 43.323 -1.434 1.00 56.01 O ATOM 37 OE2 GLU A 982 12.106 41.277 -1.883 1.00 54.21 O ATOM 38 H GLU A 982 10.749 44.002 -5.939 1.00 0.00 H ATOM 39 N GLU A 983 8.022 45.636 -5.290 1.00 40.43 N ATOM 40 CA GLU A 983 6.955 46.635 -5.389 1.00 41.77 C ATOM 41 C GLU A 983 5.951 46.259 -6.485 1.00 36.44 C ATOM 42 O GLU A 983 4.751 46.485 -6.324 1.00 33.78 O ATOM 43 CB GLU A 983 7.515 48.043 -5.643 1.00 46.41 C ATOM 44 CG GLU A 983 8.545 48.546 -4.632 1.00 53.61 C ATOM 45 CD GLU A 983 8.017 48.683 -3.210 1.00 61.58 C ATOM 46 OE1 GLU A 983 7.504 47.690 -2.644 1.00 65.58 O ATOM 47 OE2 GLU A 983 8.145 49.788 -2.638 1.00 67.52 O ATOM 48 H GLU A 983 8.993 45.899 -5.554 1.00 0.00 H ATOM 49 N ASP A 984 6.440 45.693 -7.590 1.00 34.20 N ATOM 50 CA ASP A 984 5.568 45.175 -8.648 1.00 34.47 C ATOM 51 C ASP A 984 4.678 44.042 -8.129 1.00 30.11 C ATOM 52 O ASP A 984 3.495 43.963 -8.476 1.00 26.13 O ATOM 53 CB ASP A 984 6.378 44.642 -9.842 1.00 38.50 C ATOM 54 CG ASP A 984 7.068 45.738 -10.639 1.00 42.69 C ATOM 55 OD1 ASP A 984 6.693 46.925 -10.526 1.00 44.89 O ATOM 56 OD2 ASP A 984 8.000 45.396 -11.391 1.00 46.87 O ATOM 57 H ASP A 984 7.471 45.617 -7.704 1.00 0.00 H ATOM 58 N THR A 985 5.260 43.163 -7.315 1.00 28.37 N ATOM 59 CA THR A 985 4.522 42.052 -6.729 1.00 28.08 C ATOM 60 C THR A 985 3.395 42.554 -5.829 1.00 27.34 C ATOM 61 O THR A 985 2.264 42.079 -5.936 1.00 24.48 O ATOM 62 CB THR A 985 5.439 41.107 -5.929 1.00 28.29 C ATOM 63 OG1 THR A 985 6.450 40.594 -6.800 1.00 30.18 O ATOM 64 CG2 THR A 985 4.644 39.938 -5.350 1.00 26.85 C ATOM 65 HG1 THR A 985 6.023 40.097 -7.543 1.00 0.00 H ATOM 66 H THR A 985 6.270 43.273 -7.091 1.00 0.00 H ATOM 67 N PHE A 986 3.692 43.523 -4.965 1.00 27.15 N ATOM 68 CA PHE A 986 2.662 44.050 -4.072 1.00 28.66 C ATOM 69 C PHE A 986 1.610 44.865 -4.821 1.00 27.12 C ATOM 70 O PHE A 986 0.448 44.863 -4.426 1.00 25.30 O ATOM 71 CB PHE A 986 3.262 44.853 -2.913 1.00 31.63 C ATOM 72 CG PHE A 986 3.994 44.010 -1.900 1.00 33.18 C ATOM 73 CD1 PHE A 986 3.409 42.868 -1.360 1.00 34.26 C ATOM 74 CD2 PHE A 986 5.259 44.369 -1.470 1.00 35.38 C ATOM 75 CE1 PHE A 986 4.084 42.098 -0.424 1.00 35.48 C ATOM 76 CE2 PHE A 986 5.935 43.605 -0.530 1.00 36.14 C ATOM 77 CZ PHE A 986 5.349 42.469 -0.008 1.00 33.91 C ATOM 78 H PHE A 986 4.658 43.905 -4.926 1.00 0.00 H ATOM 79 N ARG A 987 1.998 45.544 -5.900 1.00 27.97 N ATOM 80 CA ARG A 987 1.021 46.264 -6.721 1.00 28.11 C ATOM 81 C ARG A 987 0.046 45.289 -7.379 1.00 26.88 C ATOM 82 O ARG A 987 -1.172 45.534 -7.394 1.00 24.58 O ATOM 83 CB ARG A 987 1.700 47.125 -7.781 1.00 29.36 C ATOM 84 CG ARG A 987 0.708 47.888 -8.642 1.00 30.17 C ATOM 85 CD ARG A 987 1.277 49.203 -9.140 1.00 31.68 C ATOM 86 NE ARG A 987 0.235 50.014 -9.754 1.00 32.47 N ATOM 87 CZ ARG A 987 -0.131 49.923 -11.027 1.00 32.15 C ATOM 88 NH1 ARG A 987 0.467 49.060 -11.840 1.00 30.44 N ATOM 89 NH2 ARG A 987 -1.094 50.702 -11.487 1.00 33.53 N ATOM 90 HE ARG A 987 -0.255 50.710 -9.156 1.00 0.00 H ATOM 91 HH12 ARG A 987 0.174 48.995 -12.836 1.00 0.00 H ATOM 92 HH11 ARG A 987 1.228 48.449 -11.481 1.00 0.00 H ATOM 93 HH22 ARG A 987 -1.385 50.636 -12.483 1.00 0.00 H ATOM 94 HH21 ARG A 987 -1.561 51.382 -10.853 1.00 0.00 H ATOM 95 H ARG A 987 3.004 45.563 -6.162 1.00 0.00 H ATOM 96 N GLU A 988 0.566 44.178 -7.906 1.00 24.33 N ATOM 97 CA GLU A 988 -0.303 43.158 -8.505 1.00 24.22 C ATOM 98 C GLU A 988 -1.267 42.621 -7.443 1.00 22.09 C ATOM 99 O GLU A 988 -2.468 42.501 -7.694 1.00 21.25 O ATOM 100 CB GLU A 988 0.488 42.015 -9.168 1.00 25.65 C ATOM 101 CG GLU A 988 -0.405 40.861 -9.632 1.00 26.94 C ATOM 102 CD GLU A 988 0.227 39.946 -10.673 1.00 29.70 C ATOM 103 OE1 GLU A 988 1.415 40.125 -11.017 1.00 32.04 O ATOM 104 OE2 GLU A 988 -0.476 39.026 -11.152 1.00 29.71 O ATOM 105 H GLU A 988 1.596 44.034 -7.892 1.00 0.00 H ATOM 106 N LEU A 989 -0.747 42.334 -6.249 1.00 20.53 N ATOM 107 CA LEU A 989 -1.589 41.892 -5.143 1.00 19.37 C ATOM 108 C LEU A 989 -2.732 42.871 -4.896 1.00 18.78 C ATOM 109 O LEU A 989 -3.889 42.462 -4.773 1.00 18.15 O ATOM 110 CB LEU A 989 -0.770 41.710 -3.863 1.00 19.83 C ATOM 111 CG LEU A 989 -1.539 41.298 -2.602 1.00 19.44 C ATOM 112 CD1 LEU A 989 -2.188 39.933 -2.776 1.00 18.86 C ATOM 113 CD2 LEU A 989 -0.631 41.303 -1.385 1.00 20.25 C ATOM 114 H LEU A 989 0.279 42.427 -6.104 1.00 0.00 H ATOM 115 N ARG A 990 -2.408 44.160 -4.828 1.00 19.40 N ATOM 116 CA ARG A 990 -3.418 45.186 -4.558 1.00 19.74 C ATOM 117 C ARG A 990 -4.487 45.236 -5.640 1.00 19.07 C ATOM 118 O ARG A 990 -5.671 45.338 -5.341 1.00 20.13 O ATOM 119 CB ARG A 990 -2.771 46.565 -4.377 1.00 20.37 C ATOM 120 CG ARG A 990 -1.998 46.702 -3.072 1.00 21.38 C ATOM 121 CD ARG A 990 -1.671 48.153 -2.752 1.00 22.43 C ATOM 122 NE ARG A 990 -0.835 48.808 -3.753 1.00 23.19 N ATOM 123 CZ ARG A 990 0.497 48.738 -3.815 1.00 24.34 C ATOM 124 NH1 ARG A 990 1.185 47.996 -2.962 1.00 25.36 N ATOM 125 NH2 ARG A 990 1.147 49.400 -4.759 1.00 24.48 N ATOM 126 HE ARG A 990 -1.317 49.377 -4.478 1.00 0.00 H ATOM 127 HH12 ARG A 990 2.222 47.955 -3.027 1.00 0.00 H ATOM 128 HH11 ARG A 990 0.689 47.454 -2.226 1.00 0.00 H ATOM 129 HH22 ARG A 990 2.184 49.348 -4.810 1.00 0.00 H ATOM 130 HH21 ARG A 990 0.620 49.972 -5.449 1.00 0.00 H ATOM 131 H ARG A 990 -1.418 44.445 -4.969 1.00 0.00 H ATOM 132 N ILE A 991 -4.071 45.141 -6.897 1.00 19.44 N ATOM 133 CA ILE A 991 -5.005 45.086 -8.024 1.00 18.89 C ATOM 134 C ILE A 991 -5.947 43.868 -7.927 1.00 18.27 C ATOM 135 O ILE A 991 -7.167 43.990 -8.095 1.00 17.22 O ATOM 136 CB ILE A 991 -4.248 45.067 -9.366 1.00 19.20 C ATOM 137 CG1 ILE A 991 -3.511 46.394 -9.587 1.00 20.73 C ATOM 138 CG2 ILE A 991 -5.203 44.824 -10.523 1.00 18.66 C ATOM 139 CD1 ILE A 991 -2.491 46.331 -10.702 1.00 21.10 C ATOM 140 H ILE A 991 -3.049 45.104 -7.088 1.00 0.00 H ATOM 141 N PHE A 992 -5.373 42.707 -7.641 1.00 18.52 N ATOM 142 CA PHE A 992 -6.151 41.496 -7.399 1.00 19.40 C ATOM 143 C PHE A 992 -7.169 41.633 -6.254 1.00 19.49 C ATOM 144 O PHE A 992 -8.347 41.296 -6.424 1.00 19.82 O ATOM 145 CB PHE A 992 -5.206 40.313 -7.138 1.00 20.05 C ATOM 146 CG PHE A 992 -5.917 39.047 -6.768 1.00 21.20 C ATOM 147 CD1 PHE A 992 -6.545 38.284 -7.740 1.00 22.85 C ATOM 148 CD2 PHE A 992 -5.964 38.619 -5.447 1.00 21.98 C ATOM 149 CE1 PHE A 992 -7.217 37.121 -7.406 1.00 23.31 C ATOM 150 CE2 PHE A 992 -6.637 37.459 -5.111 1.00 23.14 C ATOM 151 CZ PHE A 992 -7.258 36.709 -6.094 1.00 23.08 C ATOM 152 H PHE A 992 -4.336 42.658 -7.587 1.00 0.00 H ATOM 153 N LEU A 993 -6.727 42.130 -5.101 1.00 20.34 N ATOM 154 CA LEU A 993 -7.619 42.286 -3.942 1.00 20.50 C ATOM 155 C LEU A 993 -8.744 43.303 -4.168 1.00 20.77 C ATOM 156 O LEU A 993 -9.873 43.085 -3.723 1.00 19.62 O ATOM 157 CB LEU A 993 -6.830 42.652 -2.684 1.00 21.54 C ATOM 158 CG LEU A 993 -5.847 41.576 -2.204 1.00 21.92 C ATOM 159 CD1 LEU A 993 -5.078 42.046 -0.965 1.00 21.41 C ATOM 160 CD2 LEU A 993 -6.600 40.282 -1.938 1.00 20.67 C ATOM 161 H LEU A 993 -5.730 42.414 -5.018 1.00 0.00 H ATOM 162 N ARG A 994 -8.444 44.400 -4.860 1.00 22.10 N ATOM 163 CA ARG A 994 -9.475 45.382 -5.220 1.00 22.86 C ATOM 164 C ARG A 994 -10.539 44.760 -6.108 1.00 22.59 C ATOM 165 O ARG A 994 -11.728 45.047 -5.963 1.00 22.11 O ATOM 166 CB ARG A 994 -8.882 46.586 -5.958 1.00 24.93 C ATOM 167 CG ARG A 994 -8.156 47.569 -5.069 1.00 27.09 C ATOM 168 CD ARG A 994 -7.822 48.855 -5.812 1.00 27.65 C ATOM 169 NE ARG A 994 -6.704 49.515 -5.160 1.00 28.55 N ATOM 170 CZ ARG A 994 -5.436 49.461 -5.553 1.00 29.17 C ATOM 171 NH1 ARG A 994 -5.073 48.807 -6.656 1.00 28.31 N ATOM 172 NH2 ARG A 994 -4.516 50.100 -4.837 1.00 31.02 N ATOM 173 HE ARG A 994 -6.915 50.079 -4.312 1.00 0.00 H ATOM 174 HH12 ARG A 994 -4.073 48.781 -6.940 1.00 0.00 H ATOM 175 HH11 ARG A 994 -5.790 48.322 -7.233 1.00 0.00 H ATOM 176 HH22 ARG A 994 -3.518 50.070 -5.128 1.00 0.00 H ATOM 177 HH21 ARG A 994 -4.794 50.630 -3.986 1.00 0.00 H ATOM 178 H ARG A 994 -7.459 44.565 -5.152 1.00 0.00 H ATOM 179 N ASN A 995 -10.105 43.941 -7.057 1.00 23.04 N ATOM 180 CA ASN A 995 -11.036 43.286 -7.965 1.00 23.65 C ATOM 181 C ASN A 995 -11.964 42.313 -7.236 1.00 22.21 C ATOM 182 O ASN A 995 -13.178 42.340 -7.438 1.00 22.15 O ATOM 183 CB ASN A 995 -10.296 42.561 -9.084 1.00 25.14 C ATOM 184 CG ASN A 995 -11.238 41.775 -9.962 1.00 26.70 C ATOM 185 OD1 ASN A 995 -11.317 40.560 -9.878 1.00 25.46 O ATOM 186 ND2 ASN A 995 -12.008 42.486 -10.769 1.00 29.90 N ATOM 187 HD22 ASN A 995 -11.906 43.520 -10.808 1.00 0.00 H ATOM 188 HD21 ASN A 995 -12.716 42.011 -11.365 1.00 0.00 H ATOM 189 H ASN A 995 -9.085 43.764 -7.154 1.00 0.00 H ATOM 190 N VAL A 996 -11.392 41.468 -6.384 1.00 21.51 N ATOM 191 CA VAL A 996 -12.192 40.580 -5.536 1.00 21.95 C ATOM 192 C VAL A 996 -13.183 41.378 -4.677 1.00 21.19 C ATOM 193 O VAL A 996 -14.375 41.049 -4.615 1.00 20.12 O ATOM 194 CB VAL A 996 -11.315 39.695 -4.625 1.00 22.58 C ATOM 195 CG1 VAL A 996 -12.177 38.901 -3.641 1.00 22.01 C ATOM 196 CG2 VAL A 996 -10.453 38.756 -5.468 1.00 21.54 C ATOM 197 H VAL A 996 -10.355 41.436 -6.318 1.00 0.00 H ATOM 198 N THR A 997 -12.699 42.434 -4.038 1.00 20.94 N ATOM 199 CA THR A 997 -13.537 43.214 -3.120 1.00 21.69 C ATOM 200 C THR A 997 -14.677 43.901 -3.873 1.00 22.13 C ATOM 201 O THR A 997 -15.811 43.927 -3.390 1.00 22.05 O ATOM 202 CB THR A 997 -12.713 44.256 -2.336 1.00 21.46 C ATOM 203 OG1 THR A 997 -11.570 43.616 -1.755 1.00 22.10 O ATOM 204 CG2 THR A 997 -13.542 44.879 -1.233 1.00 21.82 C ATOM 205 HG1 THR A 997 -11.012 43.224 -2.473 1.00 0.00 H ATOM 206 H THR A 997 -11.709 42.714 -4.190 1.00 0.00 H ATOM 207 N HIS A 998 -14.377 44.432 -5.061 1.00 22.97 N ATOM 208 CA HIS A 998 -15.403 45.019 -5.929 1.00 24.12 C ATOM 209 C HIS A 998 -16.488 44.035 -6.279 1.00 23.09 C ATOM 210 O HIS A 998 -17.677 44.369 -6.250 1.00 21.66 O ATOM 211 CB HIS A 998 -14.778 45.562 -7.207 1.00 27.27 C ATOM 212 CG HIS A 998 -15.776 46.176 -8.154 1.00 30.90 C ATOM 213 ND1 HIS A 998 -16.363 47.364 -7.914 1.00 34.26 N ATOM 214 CD2 HIS A 998 -16.289 45.721 -9.367 1.00 34.04 C ATOM 215 CE1 HIS A 998 -17.207 47.659 -8.921 1.00 36.54 C ATOM 216 NE2 HIS A 998 -17.163 46.652 -9.810 1.00 36.52 N ATOM 217 H HIS A 998 -13.387 44.429 -5.380 1.00 0.00 H ATOM 218 N ARG A 999 -16.096 42.811 -6.620 1.00 21.45 N ATOM 219 CA ARG A 999 -17.071 41.770 -6.960 1.00 22.12 C ATOM 220 C ARG A 999 -17.932 41.324 -5.769 1.00 21.50 C ATOM 221 O ARG A 999 -19.085 40.933 -5.950 1.00 23.17 O ATOM 222 CB ARG A 999 -16.373 40.582 -7.623 1.00 22.74 C ATOM 223 CG ARG A 999 -15.990 40.877 -9.070 1.00 24.62 C ATOM 224 CD ARG A 999 -14.762 40.091 -9.488 1.00 24.51 C ATOM 225 NE ARG A 999 -15.044 38.663 -9.566 1.00 24.14 N ATOM 226 CZ ARG A 999 -14.113 37.725 -9.714 1.00 24.46 C ATOM 227 NH1 ARG A 999 -12.823 38.053 -9.809 1.00 24.30 N ATOM 228 NH2 ARG A 999 -14.479 36.453 -9.769 1.00 25.05 N ATOM 229 HE ARG A 999 -16.036 38.358 -9.502 1.00 0.00 H ATOM 230 HH12 ARG A 999 -12.105 37.310 -9.925 1.00 0.00 H ATOM 231 HH11 ARG A 999 -12.536 39.052 -9.768 1.00 0.00 H ATOM 232 HH22 ARG A 999 -13.761 35.710 -9.885 1.00 0.00 H ATOM 233 HH21 ARG A 999 -15.485 36.198 -9.697 1.00 0.00 H ATOM 234 H ARG A 999 -15.080 42.588 -6.646 1.00 0.00 H ATOM 235 N LEU A1000 -17.390 41.385 -4.556 1.00 20.54 N ATOM 236 CA LEU A1000 -18.206 41.171 -3.363 1.00 19.94 C ATOM 237 C LEU A1000 -19.154 42.356 -3.138 1.00 21.09 C ATOM 238 O LEU A1000 -20.337 42.165 -2.883 1.00 21.12 O ATOM 239 CB LEU A1000 -17.330 40.957 -2.126 1.00 19.47 C ATOM 240 CG LEU A1000 -16.371 39.769 -2.172 1.00 19.62 C ATOM 241 CD1 LEU A1000 -15.508 39.763 -0.920 1.00 19.51 C ATOM 242 CD2 LEU A1000 -17.123 38.451 -2.337 1.00 20.41 C ATOM 243 H LEU A1000 -16.375 41.587 -4.456 1.00 0.00 H ATOM 244 N ALA A1001 -18.628 43.571 -3.271 1.00 20.99 N ATOM 245 CA ALA A1001 -19.371 44.785 -2.969 1.00 23.15 C ATOM 246 C ALA A1001 -20.602 45.030 -3.844 1.00 25.98 C ATOM 247 O ALA A1001 -21.567 45.620 -3.371 1.00 27.68 O ATOM 248 CB ALA A1001 -18.439 45.992 -3.031 1.00 22.93 C ATOM 249 H ALA A1001 -17.647 43.656 -3.604 1.00 0.00 H ATOM 250 N ILE A1002 -20.561 44.607 -5.110 1.00 27.06 N ATOM 251 CA ILE A1002 -21.677 44.825 -6.033 1.00 29.97 C ATOM 252 C ILE A1002 -22.749 43.723 -5.970 1.00 32.18 C ATOM 253 O ILE A1002 -23.769 43.811 -6.652 1.00 34.52 O ATOM 254 CB ILE A1002 -21.192 44.977 -7.491 1.00 31.40 C ATOM 255 CG1 ILE A1002 -20.599 43.665 -8.016 1.00 31.36 C ATOM 256 CG2 ILE A1002 -20.180 46.111 -7.596 1.00 32.65 C ATOM 257 CD1 ILE A1002 -20.100 43.763 -9.435 1.00 33.72 C ATOM 258 H ILE A1002 -19.713 44.109 -5.450 1.00 0.00 H ATOM 259 N ASP A1003 -22.508 42.686 -5.173 1.00 31.81 N ATOM 260 CA ASP A1003 -23.484 41.621 -4.956 1.00 31.23 C ATOM 261 C ASP A1003 -24.544 42.106 -3.961 1.00 31.55 C ATOM 262 O ASP A1003 -24.221 42.487 -2.830 1.00 29.88 O ATOM 263 CB ASP A1003 -22.767 40.374 -4.437 1.00 32.44 C ATOM 264 CG ASP A1003 -23.623 39.123 -4.501 1.00 33.77 C ATOM 265 OD1 ASP A1003 -24.807 39.174 -4.112 1.00 35.72 O ATOM 266 OD2 ASP A1003 -23.089 38.070 -4.907 1.00 34.19 O ATOM 267 H ASP A1003 -21.591 42.631 -4.686 1.00 0.00 H ATOM 268 N LYS A1004 -25.807 42.081 -4.386 1.00 32.21 N ATOM 269 CA LYS A1004 -26.927 42.622 -3.600 1.00 33.98 C ATOM 270 C LYS A1004 -27.041 42.013 -2.200 1.00 30.70 C ATOM 271 O LYS A1004 -27.381 42.713 -1.248 1.00 28.72 O ATOM 272 CB LYS A1004 -28.247 42.410 -4.349 1.00 39.60 C ATOM 273 CG LYS A1004 -28.418 43.273 -5.589 1.00 45.45 C ATOM 274 CD LYS A1004 -29.554 44.275 -5.438 1.00 50.61 C ATOM 275 CE LYS A1004 -29.772 45.064 -6.722 1.00 53.16 C ATOM 276 NZ LYS A1004 -31.057 45.822 -6.707 1.00 56.66 N ATOM 277 HZ1 LYS A1004 -31.849 45.157 -6.598 1.00 0.00 H ATOM 278 HZ2 LYS A1004 -31.053 46.493 -5.912 1.00 0.00 H ATOM 279 HZ3 LYS A1004 -31.161 46.343 -7.601 1.00 0.00 H ATOM 280 H LYS A1004 -26.010 41.660 -5.315 1.00 0.00 H ATOM 281 N ARG A1005 -26.750 40.716 -2.086 1.00 29.83 N ATOM 282 CA ARG A1005 -26.758 40.007 -0.800 1.00 29.79 C ATOM 283 C ARG A1005 -25.888 40.675 0.259 1.00 28.48 C ATOM 284 O ARG A1005 -26.213 40.636 1.445 1.00 29.44 O ATOM 285 CB ARG A1005 -26.255 38.570 -0.978 1.00 31.18 C ATOM 286 CG ARG A1005 -27.193 37.652 -1.745 1.00 32.52 C ATOM 287 CD ARG A1005 -26.558 36.290 -1.970 1.00 32.82 C ATOM 288 NE ARG A1005 -25.359 36.357 -2.807 1.00 33.91 N ATOM 289 CZ ARG A1005 -24.497 35.356 -2.984 1.00 34.67 C ATOM 290 NH1 ARG A1005 -24.674 34.183 -2.380 1.00 35.41 N ATOM 291 NH2 ARG A1005 -23.439 35.529 -3.766 1.00 36.46 N ATOM 292 HE ARG A1005 -25.165 37.252 -3.300 1.00 0.00 H ATOM 293 HH12 ARG A1005 -23.991 33.413 -2.530 1.00 0.00 H ATOM 294 HH11 ARG A1005 -25.495 34.037 -1.759 1.00 0.00 H ATOM 295 HH22 ARG A1005 -22.764 34.751 -3.907 1.00 0.00 H ATOM 296 HH21 ARG A1005 -23.285 36.443 -4.238 1.00 0.00 H ATOM 297 H ARG A1005 -26.507 40.184 -2.946 1.00 0.00 H ATOM 298 N PHE A1006 -24.778 41.272 -0.177 1.00 27.03 N ATOM 299 CA PHE A1006 -23.750 41.760 0.728 1.00 25.99 C ATOM 300 C PHE A1006 -23.785 43.268 0.948 1.00 26.16 C ATOM 301 O PHE A1006 -22.840 43.842 1.506 1.00 24.84 O ATOM 302 CB PHE A1006 -22.371 41.343 0.216 1.00 25.56 C ATOM 303 CG PHE A1006 -22.259 39.878 -0.124 1.00 25.49 C ATOM 304 CD1 PHE A1006 -22.881 38.910 0.656 1.00 25.12 C ATOM 305 CD2 PHE A1006 -21.512 39.465 -1.226 1.00 25.04 C ATOM 306 CE1 PHE A1006 -22.771 37.564 0.340 1.00 25.09 C ATOM 307 CE2 PHE A1006 -21.394 38.123 -1.540 1.00 25.38 C ATOM 308 CZ PHE A1006 -22.031 37.170 -0.758 1.00 25.29 C ATOM 309 H PHE A1006 -24.643 41.393 -1.201 1.00 0.00 H ATOM 310 N ARG A1007 -24.878 43.909 0.542 1.00 26.98 N ATOM 311 CA ARG A1007 -25.023 45.352 0.715 1.00 28.79 C ATOM 312 C ARG A1007 -24.802 45.765 2.171 1.00 27.05 C ATOM 313 O ARG A1007 -24.145 46.767 2.435 1.00 26.64 O ATOM 314 CB ARG A1007 -26.404 45.820 0.239 1.00 32.68 C ATOM 315 CG ARG A1007 -26.562 47.337 0.187 1.00 36.60 C ATOM 316 CD ARG A1007 -28.016 47.777 0.284 1.00 41.66 C ATOM 317 NE ARG A1007 -28.723 47.103 1.378 1.00 47.69 N ATOM 318 CZ ARG A1007 -28.529 47.326 2.682 1.00 48.31 C ATOM 319 NH1 ARG A1007 -27.642 48.223 3.113 1.00 48.34 N ATOM 320 NH2 ARG A1007 -29.231 46.636 3.572 1.00 49.71 N ATOM 321 HE ARG A1007 -29.435 46.392 1.118 1.00 0.00 H ATOM 322 HH12 ARG A1007 -27.511 48.376 4.133 1.00 0.00 H ATOM 323 HH11 ARG A1007 -27.081 48.769 2.429 1.00 0.00 H ATOM 324 HH22 ARG A1007 -29.088 46.802 4.589 1.00 0.00 H ATOM 325 HH21 ARG A1007 -29.924 45.930 3.253 1.00 0.00 H ATOM 326 H ARG A1007 -25.646 43.371 0.092 1.00 0.00 H ATOM 327 N VAL A1008 -25.339 44.988 3.108 1.00 26.83 N ATOM 328 CA VAL A1008 -25.192 45.275 4.550 1.00 27.45 C ATOM 329 C VAL A1008 -23.731 45.335 5.032 1.00 26.92 C ATOM 330 O VAL A1008 -23.432 45.992 6.031 1.00 28.39 O ATOM 331 CB VAL A1008 -25.988 44.257 5.404 1.00 29.14 C ATOM 332 CG1 VAL A1008 -25.408 42.858 5.264 1.00 30.33 C ATOM 333 CG2 VAL A1008 -26.040 44.679 6.867 1.00 30.58 C ATOM 334 H VAL A1008 -25.881 44.150 2.815 1.00 0.00 H ATOM 335 N PHE A1009 -22.826 44.658 4.330 1.00 25.61 N ATOM 336 CA PHE A1009 -21.407 44.658 4.694 1.00 24.39 C ATOM 337 C PHE A1009 -20.566 45.685 3.924 1.00 24.02 C ATOM 338 O PHE A1009 -19.347 45.716 4.090 1.00 22.66 O ATOM 339 CB PHE A1009 -20.812 43.257 4.487 1.00 23.23 C ATOM 340 CG PHE A1009 -21.609 42.162 5.125 1.00 22.57 C ATOM 341 CD1 PHE A1009 -21.789 42.132 6.503 1.00 23.31 C ATOM 342 CD2 PHE A1009 -22.184 41.163 4.357 1.00 23.47 C ATOM 343 CE1 PHE A1009 -22.531 41.130 7.097 1.00 23.80 C ATOM 344 CE2 PHE A1009 -22.926 40.155 4.948 1.00 23.91 C ATOM 345 CZ PHE A1009 -23.101 40.140 6.320 1.00 23.81 C ATOM 346 H PHE A1009 -23.135 44.113 3.499 1.00 0.00 H ATOM 347 N THR A1010 -21.192 46.516 3.088 1.00 26.20 N ATOM 348 CA THR A1010 -20.434 47.440 2.232 1.00 28.22 C ATOM 349 C THR A1010 -19.955 48.705 2.952 1.00 31.63 C ATOM 350 O THR A1010 -18.952 49.298 2.550 1.00 31.78 O ATOM 351 CB THR A1010 -21.223 47.858 0.981 1.00 28.52 C ATOM 352 OG1 THR A1010 -22.477 48.434 1.371 1.00 28.96 O ATOM 353 CG2 THR A1010 -21.451 46.651 0.066 1.00 28.06 C ATOM 354 HG1 THR A1010 -23.000 47.767 1.882 1.00 0.00 H ATOM 355 H THR A1010 -22.231 46.510 3.041 1.00 0.00 H ATOM 356 N LYS A1011 -20.668 49.110 4.001 1.00 33.35 N ATOM 357 CA LYS A1011 -20.357 50.338 4.727 1.00 36.91 C ATOM 358 C LYS A1011 -20.393 50.076 6.230 1.00 35.96 C ATOM 359 O LYS A1011 -21.002 49.102 6.671 1.00 33.33 O ATOM 360 CB LYS A1011 -21.364 51.440 4.372 1.00 41.23 C ATOM 361 CG LYS A1011 -21.304 51.921 2.930 1.00 44.99 C ATOM 362 CD LYS A1011 -20.090 52.804 2.668 1.00 47.96 C ATOM 363 CE LYS A1011 -19.853 53.009 1.177 1.00 49.19 C ATOM 364 NZ LYS A1011 -18.571 53.727 0.912 1.00 49.93 N ATOM 365 HZ1 LYS A1011 -18.597 54.660 1.370 1.00 0.00 H ATOM 366 HZ2 LYS A1011 -17.779 53.173 1.296 1.00 0.00 H ATOM 367 HZ3 LYS A1011 -18.448 53.846 -0.114 1.00 0.00 H ATOM 368 H LYS A1011 -21.474 48.532 4.314 1.00 0.00 H ATOM 369 N PRO A1012 -19.741 50.945 7.025 1.00 38.79 N ATOM 370 CA PRO A1012 -19.809 50.798 8.483 1.00 39.95 C ATOM 371 C PRO A1012 -21.237 50.886 9.013 1.00 40.74 C ATOM 372 O PRO A1012 -22.108 51.441 8.351 1.00 39.01 O ATOM 373 CB PRO A1012 -18.975 51.978 9.005 1.00 41.31 C ATOM 374 CG PRO A1012 -18.109 52.389 7.867 1.00 41.27 C ATOM 375 CD PRO A1012 -18.892 52.081 6.624 1.00 40.27 C ATOM 376 N VAL A1013 -21.462 50.332 10.199 1.00 45.35 N ATOM 377 CA VAL A1013 -22.764 50.400 10.858 1.00 49.29 C ATOM 378 C VAL A1013 -22.988 51.811 11.402 1.00 53.10 C ATOM 379 O VAL A1013 -22.121 52.357 12.085 1.00 54.64 O ATOM 380 CB VAL A1013 -22.859 49.381 12.016 1.00 48.81 C ATOM 381 CG1 VAL A1013 -24.172 49.538 12.769 1.00 48.48 C ATOM 382 CG2 VAL A1013 -22.714 47.959 11.487 1.00 47.10 C ATOM 383 H VAL A1013 -20.684 49.832 10.675 1.00 0.00 H ATOM 384 N ASP A1014 -24.144 52.395 11.093 1.00 57.90 N ATOM 385 CA ASP A1014 -24.498 53.732 11.582 1.00 62.80 C ATOM 386 C ASP A1014 -24.826 53.669 13.078 1.00 63.83 C ATOM 387 O ASP A1014 -25.790 53.007 13.464 1.00 60.97 O ATOM 388 CB ASP A1014 -25.698 54.283 10.799 1.00 64.68 C ATOM 389 CG ASP A1014 -26.135 55.666 11.274 1.00 68.90 C ATOM 390 OD1 ASP A1014 -25.270 56.485 11.650 1.00 68.37 O ATOM 391 OD2 ASP A1014 -27.354 55.939 11.261 1.00 72.26 O ATOM 392 H ASP A1014 -24.818 51.887 10.485 1.00 0.00 H ATOM 393 N PRO A1015 -24.036 54.362 13.925 1.00 68.17 N ATOM 394 CA PRO A1015 -24.261 54.274 15.377 1.00 70.94 C ATOM 395 C PRO A1015 -25.643 54.751 15.835 1.00 74.34 C ATOM 396 O PRO A1015 -26.134 54.294 16.866 1.00 74.00 O ATOM 397 CB PRO A1015 -23.160 55.168 15.966 1.00 71.67 C ATOM 398 CG PRO A1015 -22.765 56.079 14.859 1.00 71.58 C ATOM 399 CD PRO A1015 -22.924 55.276 13.603 1.00 69.16 C ATOM 400 N ASP A1016 -26.261 55.653 15.076 1.00 76.34 N ATOM 401 CA ASP A1016 -27.601 56.144 15.406 1.00 79.47 C ATOM 402 C ASP A1016 -28.660 55.054 15.235 1.00 78.17 C ATOM 403 O ASP A1016 -29.594 54.963 16.031 1.00 78.68 O ATOM 404 CB ASP A1016 -27.956 57.366 14.549 1.00 82.27 C ATOM 405 CG ASP A1016 -27.026 58.548 14.794 1.00 83.69 C ATOM 406 OD1 ASP A1016 -26.565 58.732 15.943 1.00 83.99 O ATOM 407 OD2 ASP A1016 -26.758 59.298 13.833 1.00 83.20 O ATOM 408 H ASP A1016 -25.781 56.018 14.229 1.00 0.00 H ATOM 409 N GLU A1017 -28.509 54.230 14.201 1.00 77.58 N ATOM 410 CA GLU A1017 -29.419 53.107 13.968 1.00 75.13 C ATOM 411 C GLU A1017 -29.154 51.953 14.934 1.00 70.84 C ATOM 412 O GLU A1017 -30.092 51.335 15.435 1.00 72.67 O ATOM 413 CB GLU A1017 -29.298 52.607 12.529 1.00 79.36 C ATOM 414 CG GLU A1017 -29.760 53.608 11.481 1.00 84.51 C ATOM 415 CD GLU A1017 -29.269 53.260 10.087 1.00 89.49 C ATOM 416 OE1 GLU A1017 -29.266 52.059 9.739 1.00 93.84 O ATOM 417 OE2 GLU A1017 -28.887 54.185 9.338 1.00 90.23 O ATOM 418 H GLU A1017 -27.722 54.388 13.540 1.00 0.00 H ATOM 419 N VAL A1018 -27.876 51.670 15.189 1.00 64.37 N ATOM 420 CA VAL A1018 -27.469 50.558 16.054 1.00 59.69 C ATOM 421 C VAL A1018 -26.466 51.049 17.111 1.00 58.82 C ATOM 422 O VAL A1018 -25.258 50.891 16.935 1.00 54.66 O ATOM 423 CB VAL A1018 -26.839 49.417 15.226 1.00 57.65 C ATOM 424 CG1 VAL A1018 -26.735 48.155 16.060 1.00 56.57 C ATOM 425 CG2 VAL A1018 -27.652 49.146 13.969 1.00 57.22 C ATOM 426 H VAL A1018 -27.138 52.262 14.757 1.00 0.00 H ATOM 427 N PRO A1019 -26.966 51.646 18.216 1.00 58.96 N ATOM 428 CA PRO A1019 -26.118 52.274 19.246 1.00 58.36 C ATOM 429 C PRO A1019 -25.122 51.360 19.954 1.00 55.88 C ATOM 430 O PRO A1019 -24.001 51.779 20.231 1.00 57.18 O ATOM 431 CB PRO A1019 -27.137 52.809 20.265 1.00 60.05 C ATOM 432 CG PRO A1019 -28.399 52.971 19.499 1.00 59.23 C ATOM 433 CD PRO A1019 -28.399 51.856 18.499 1.00 59.30 C ATOM 434 N ASP A1020 -25.527 50.131 20.256 1.00 56.06 N ATOM 435 CA ASP A1020 -24.677 49.219 21.028 1.00 56.34 C ATOM 436 C ASP A1020 -23.640 48.458 20.188 1.00 51.99 C ATOM 437 O ASP A1020 -22.819 47.724 20.745 1.00 51.41 O ATOM 438 CB ASP A1020 -25.534 48.228 21.829 1.00 60.70 C ATOM 439 CG ASP A1020 -26.394 47.348 20.945 1.00 63.96 C ATOM 440 OD1 ASP A1020 -27.094 47.896 20.066 1.00 69.12 O ATOM 441 OD2 ASP A1020 -26.378 46.113 21.138 1.00 65.33 O ATOM 442 H ASP A1020 -26.464 49.810 19.939 1.00 0.00 H ATOM 443 N TYR A1021 -23.663 48.634 18.866 1.00 47.77 N ATOM 444 CA TYR A1021 -22.740 47.907 17.991 1.00 45.18 C ATOM 445 C TYR A1021 -21.291 48.165 18.382 1.00 46.78 C ATOM 446 O TYR A1021 -20.514 47.225 18.539 1.00 46.05 O ATOM 447 CB TYR A1021 -22.951 48.268 16.511 1.00 42.08 C ATOM 448 CG TYR A1021 -22.252 47.309 15.572 1.00 38.70 C ATOM 449 CD1 TYR A1021 -22.869 46.127 15.165 1.00 37.45 C ATOM 450 CD2 TYR A1021 -20.964 47.566 15.115 1.00 37.73 C ATOM 451 CE1 TYR A1021 -22.229 45.239 14.314 1.00 36.17 C ATOM 452 CE2 TYR A1021 -20.314 46.684 14.266 1.00 36.05 C ATOM 453 CZ TYR A1021 -20.947 45.525 13.869 1.00 34.87 C ATOM 454 OH TYR A1021 -20.297 44.652 13.035 1.00 33.63 O ATOM 455 HH TYR A1021 -20.884 43.877 12.848 1.00 0.00 H ATOM 456 H TYR A1021 -24.347 49.298 18.450 1.00 0.00 H ATOM 457 N VAL A1022 -20.943 49.441 18.550 1.00 50.51 N ATOM 458 CA VAL A1022 -19.573 49.846 18.878 1.00 52.34 C ATOM 459 C VAL A1022 -19.091 49.270 20.214 1.00 53.29 C ATOM 460 O VAL A1022 -17.903 48.990 20.376 1.00 54.77 O ATOM 461 CB VAL A1022 -19.431 51.387 18.887 1.00 56.18 C ATOM 462 CG1 VAL A1022 -18.109 51.815 19.510 1.00 57.58 C ATOM 463 CG2 VAL A1022 -19.540 51.933 17.472 1.00 57.47 C ATOM 464 H VAL A1022 -21.671 50.176 18.444 1.00 0.00 H ATOM 465 N THR A1023 -20.003 49.090 21.165 1.00 53.16 N ATOM 466 CA THR A1023 -19.640 48.510 22.460 1.00 54.39 C ATOM 467 C THR A1023 -19.481 46.986 22.381 1.00 51.84 C ATOM 468 O THR A1023 -18.602 46.420 23.026 1.00 52.64 O ATOM 469 CB THR A1023 -20.656 48.878 23.564 1.00 56.36 C ATOM 470 OG1 THR A1023 -21.945 48.343 23.246 1.00 59.87 O ATOM 471 CG2 THR A1023 -20.759 50.390 23.711 1.00 57.57 C ATOM 472 HG1 THR A1023 -22.253 48.718 22.383 1.00 0.00 H ATOM 473 H THR A1023 -20.990 49.365 20.986 1.00 0.00 H ATOM 474 N VAL A1024 -20.316 46.328 21.578 1.00 47.49 N ATOM 475 CA VAL A1024 -20.287 44.864 21.470 1.00 44.64 C ATOM 476 C VAL A1024 -19.199 44.363 20.513 1.00 42.47 C ATOM 477 O VAL A1024 -18.487 43.406 20.824 1.00 42.18 O ATOM 478 CB VAL A1024 -21.666 44.315 21.040 1.00 43.64 C ATOM 479 CG1 VAL A1024 -21.623 42.801 20.862 1.00 42.07 C ATOM 480 CG2 VAL A1024 -22.718 44.706 22.067 1.00 44.19 C ATOM 481 H VAL A1024 -21.005 46.865 21.014 1.00 0.00 H ATOM 482 N ILE A1025 -19.081 45.005 19.354 1.00 39.91 N ATOM 483 CA ILE A1025 -18.110 44.609 18.337 1.00 38.37 C ATOM 484 C ILE A1025 -16.859 45.478 18.453 1.00 40.30 C ATOM 485 O ILE A1025 -16.888 46.665 18.127 1.00 40.60 O ATOM 486 CB ILE A1025 -18.715 44.719 16.919 1.00 35.29 C ATOM 487 CG1 ILE A1025 -19.912 43.773 16.785 1.00 34.26 C ATOM 488 CG2 ILE A1025 -17.675 44.403 15.857 1.00 32.53 C ATOM 489 CD1 ILE A1025 -19.593 42.322 17.079 1.00 34.12 C ATOM 490 H ILE A1025 -19.702 45.818 19.165 1.00 0.00 H ATOM 491 N LYS A1026 -15.767 44.873 18.912 1.00 41.09 N ATOM 492 CA LYS A1026 -14.546 45.610 19.251 1.00 42.93 C ATOM 493 C LYS A1026 -13.702 46.030 18.053 1.00 41.18 C ATOM 494 O LYS A1026 -13.007 47.049 18.127 1.00 41.78 O ATOM 495 CB LYS A1026 -13.698 44.801 20.240 1.00 46.05 C ATOM 496 CG LYS A1026 -14.395 44.549 21.570 1.00 47.84 C ATOM 497 CD LYS A1026 -14.713 45.849 22.298 1.00 50.21 C ATOM 498 CE LYS A1026 -15.569 45.616 23.528 1.00 51.65 C ATOM 499 NZ LYS A1026 -16.195 46.888 23.984 1.00 52.24 N ATOM 500 HZ1 LYS A1026 -15.450 47.575 24.218 1.00 0.00 H ATOM 501 HZ2 LYS A1026 -16.794 47.270 23.225 1.00 0.00 H ATOM 502 HZ3 LYS A1026 -16.776 46.704 24.827 1.00 0.00 H ATOM 503 H LYS A1026 -15.780 43.840 19.035 1.00 0.00 H ATOM 504 N GLN A1027 -13.741 45.255 16.967 1.00 38.50 N ATOM 505 CA GLN A1027 -13.058 45.621 15.729 1.00 37.28 C ATOM 506 C GLN A1027 -14.018 45.556 14.535 1.00 35.76 C ATOM 507 O GLN A1027 -14.032 44.560 13.808 1.00 33.90 O ATOM 508 CB GLN A1027 -11.851 44.700 15.508 1.00 36.41 C ATOM 509 CG GLN A1027 -10.931 45.148 14.384 1.00 35.24 C ATOM 510 CD GLN A1027 -9.627 44.379 14.357 1.00 35.02 C ATOM 511 OE1 GLN A1027 -8.648 44.819 13.755 1.00 34.19 O ATOM 512 NE2 GLN A1027 -9.605 43.226 15.015 1.00 35.11 N ATOM 513 HE22 GLN A1027 -10.457 42.893 15.510 1.00 0.00 H ATOM 514 HE21 GLN A1027 -8.736 42.655 15.036 1.00 0.00 H ATOM 515 H GLN A1027 -14.274 44.363 17.003 1.00 0.00 H ATOM 516 N PRO A1028 -14.837 46.607 14.336 1.00 35.52 N ATOM 517 CA PRO A1028 -15.741 46.595 13.192 1.00 34.22 C ATOM 518 C PRO A1028 -14.989 46.523 11.875 1.00 32.69 C ATOM 519 O PRO A1028 -13.860 47.011 11.768 1.00 31.15 O ATOM 520 CB PRO A1028 -16.506 47.925 13.308 1.00 36.93 C ATOM 521 CG PRO A1028 -15.830 48.712 14.375 1.00 38.89 C ATOM 522 CD PRO A1028 -15.112 47.735 15.245 1.00 38.03 C ATOM 523 N MET A1029 -15.603 45.898 10.883 1.00 29.70 N ATOM 524 CA MET A1029 -14.981 45.773 9.576 1.00 29.22 C ATOM 525 C MET A1029 -16.073 45.685 8.522 1.00 28.05 C ATOM 526 O MET A1029 -17.149 45.148 8.767 1.00 26.57 O ATOM 527 CB MET A1029 -14.067 44.540 9.531 1.00 28.71 C ATOM 528 CG MET A1029 -13.250 44.386 8.244 1.00 29.83 C ATOM 529 SD MET A1029 -12.159 45.778 7.858 1.00 34.10 S ATOM 530 CE MET A1029 -11.298 45.971 9.420 1.00 32.43 C ATOM 531 H MET A1029 -16.546 45.490 11.042 1.00 0.00 H ATOM 532 N ASP A1030 -15.780 46.233 7.357 1.00 27.95 N ATOM 533 CA ASP A1030 -16.736 46.304 6.263 1.00 29.48 C ATOM 534 C ASP A1030 -15.938 46.439 4.970 1.00 27.09 C ATOM 535 O ASP A1030 -14.737 46.715 5.011 1.00 26.96 O ATOM 536 CB ASP A1030 -17.674 47.496 6.471 1.00 32.51 C ATOM 537 CG ASP A1030 -16.962 48.828 6.338 1.00 37.42 C ATOM 538 OD1 ASP A1030 -16.858 49.331 5.199 1.00 40.52 O ATOM 539 OD2 ASP A1030 -16.501 49.375 7.362 1.00 41.27 O ATOM 540 H ASP A1030 -14.829 46.629 7.216 1.00 0.00 H ATOM 541 N LEU A1031 -16.592 46.242 3.830 1.00 25.70 N ATOM 542 CA LEU A1031 -15.885 46.213 2.546 1.00 25.01 C ATOM 543 C LEU A1031 -15.285 47.575 2.137 1.00 25.19 C ATOM 544 O LEU A1031 -14.235 47.612 1.484 1.00 24.44 O ATOM 545 CB LEU A1031 -16.779 45.635 1.444 1.00 24.62 C ATOM 546 CG LEU A1031 -17.209 44.173 1.673 1.00 24.41 C ATOM 547 CD1 LEU A1031 -18.371 43.760 0.777 1.00 22.99 C ATOM 548 CD2 LEU A1031 -16.024 43.239 1.488 1.00 22.47 C ATOM 549 H LEU A1031 -17.623 46.106 3.849 1.00 0.00 H ATOM 550 N SER A1032 -15.907 48.687 2.535 1.00 26.16 N ATOM 551 CA SER A1032 -15.292 50.003 2.282 1.00 27.88 C ATOM 552 C SER A1032 -13.987 50.176 3.066 1.00 27.74 C ATOM 553 O SER A1032 -13.023 50.723 2.536 1.00 29.07 O ATOM 554 CB SER A1032 -16.261 51.150 2.602 1.00 28.92 C ATOM 555 OG SER A1032 -16.613 51.171 3.974 1.00 29.07 O ATOM 556 HG SER A1032 -15.797 51.290 4.521 1.00 0.00 H ATOM 557 H SER A1032 -16.824 48.625 3.023 1.00 0.00 H ATOM 558 N SER A1033 -13.960 49.711 4.318 1.00 28.11 N ATOM 559 CA SER A1033 -12.733 49.715 5.120 1.00 30.10 C ATOM 560 C SER A1033 -11.654 48.850 4.481 1.00 28.70 C ATOM 561 O SER A1033 -10.490 49.244 4.426 1.00 28.11 O ATOM 562 CB SER A1033 -13.000 49.216 6.546 1.00 31.59 C ATOM 563 OG SER A1033 -14.039 49.956 7.151 1.00 35.01 O ATOM 564 HG SER A1033 -14.867 49.857 6.618 1.00 0.00 H ATOM 565 H SER A1033 -14.835 49.335 4.736 1.00 0.00 H ATOM 566 N VAL A1034 -12.045 47.673 3.999 1.00 26.05 N ATOM 567 CA VAL A1034 -11.106 46.784 3.318 1.00 25.47 C ATOM 568 C VAL A1034 -10.467 47.497 2.122 1.00 24.43 C ATOM 569 O VAL A1034 -9.244 47.457 1.959 1.00 23.36 O ATOM 570 CB VAL A1034 -11.777 45.458 2.889 1.00 25.60 C ATOM 571 CG1 VAL A1034 -10.830 44.619 2.041 1.00 25.18 C ATOM 572 CG2 VAL A1034 -12.223 44.683 4.121 1.00 25.73 C ATOM 573 H VAL A1034 -13.037 47.380 4.109 1.00 0.00 H ATOM 574 N ILE A1035 -11.275 48.180 1.315 1.00 24.48 N ATOM 575 CA ILE A1035 -10.751 48.931 0.166 1.00 26.08 C ATOM 576 C ILE A1035 -9.757 50.000 0.625 1.00 25.70 C ATOM 577 O ILE A1035 -8.710 50.164 0.013 1.00 24.99 O ATOM 578 CB ILE A1035 -11.871 49.582 -0.675 1.00 28.15 C ATOM 579 CG1 ILE A1035 -12.646 48.509 -1.448 1.00 29.30 C ATOM 580 CG2 ILE A1035 -11.301 50.604 -1.655 1.00 28.35 C ATOM 581 CD1 ILE A1035 -11.854 47.853 -2.562 1.00 30.22 C ATOM 582 H ILE A1035 -12.298 48.182 1.501 1.00 0.00 H ATOM 583 N SER A1036 -10.071 50.697 1.717 1.00 26.90 N ATOM 584 CA SER A1036 -9.161 51.710 2.259 1.00 28.40 C ATOM 585 C SER A1036 -7.834 51.095 2.702 1.00 27.13 C ATOM 586 O SER A1036 -6.769 51.665 2.462 1.00 26.71 O ATOM 587 CB SER A1036 -9.807 52.451 3.429 1.00 29.97 C ATOM 588 OG SER A1036 -10.871 53.262 2.967 1.00 33.89 O ATOM 589 HG SER A1036 -11.280 53.736 3.734 1.00 0.00 H ATOM 590 H SER A1036 -10.978 50.519 2.193 1.00 0.00 H ATOM 591 N LYS A1037 -7.905 49.926 3.337 1.00 26.18 N ATOM 592 CA LYS A1037 -6.707 49.225 3.793 1.00 25.98 C ATOM 593 C LYS A1037 -5.844 48.711 2.627 1.00 25.17 C ATOM 594 O LYS A1037 -4.603 48.736 2.699 1.00 23.79 O ATOM 595 CB LYS A1037 -7.083 48.104 4.764 1.00 27.07 C ATOM 596 CG LYS A1037 -7.547 48.635 6.121 1.00 28.93 C ATOM 597 CD LYS A1037 -7.925 47.533 7.099 1.00 29.08 C ATOM 598 CE LYS A1037 -6.726 46.675 7.472 1.00 29.95 C ATOM 599 NZ LYS A1037 -6.997 45.814 8.656 1.00 31.03 N ATOM 600 HZ1 LYS A1037 -7.232 46.414 9.473 1.00 0.00 H ATOM 601 HZ2 LYS A1037 -7.795 45.181 8.447 1.00 0.00 H ATOM 602 HZ3 LYS A1037 -6.152 45.248 8.872 1.00 0.00 H ATOM 603 H LYS A1037 -8.838 49.501 3.513 1.00 0.00 H ATOM 604 N ILE A1038 -6.481 48.264 1.549 1.00 23.17 N ATOM 605 CA ILE A1038 -5.720 47.861 0.366 1.00 22.78 C ATOM 606 C ILE A1038 -4.879 49.051 -0.105 1.00 23.88 C ATOM 607 O ILE A1038 -3.675 48.931 -0.303 1.00 23.61 O ATOM 608 CB ILE A1038 -6.622 47.365 -0.776 1.00 21.45 C ATOM 609 CG1 ILE A1038 -7.271 46.023 -0.406 1.00 21.36 C ATOM 610 CG2 ILE A1038 -5.822 47.213 -2.065 1.00 21.19 C ATOM 611 CD1 ILE A1038 -8.436 45.639 -1.300 1.00 20.42 C ATOM 612 H ILE A1038 -7.519 48.201 1.547 1.00 0.00 H ATOM 613 N ASP A1039 -5.529 50.204 -0.233 1.00 25.83 N ATOM 614 CA ASP A1039 -4.895 51.417 -0.732 1.00 28.23 C ATOM 615 C ASP A1039 -3.841 51.993 0.213 1.00 29.24 C ATOM 616 O ASP A1039 -2.956 52.714 -0.236 1.00 31.33 O ATOM 617 CB ASP A1039 -5.960 52.477 -1.053 1.00 30.44 C ATOM 618 CG ASP A1039 -6.944 52.020 -2.141 1.00 32.61 C ATOM 619 OD1 ASP A1039 -6.657 51.036 -2.858 1.00 32.89 O ATOM 620 OD2 ASP A1039 -8.023 52.641 -2.268 1.00 34.66 O ATOM 621 H ASP A1039 -6.533 50.241 0.035 1.00 0.00 H ATOM 622 N LEU A1040 -3.934 51.678 1.506 1.00 29.34 N ATOM 623 CA LEU A1040 -2.928 52.085 2.492 1.00 30.05 C ATOM 624 C LEU A1040 -1.795 51.053 2.631 1.00 31.31 C ATOM 625 O LEU A1040 -0.936 51.189 3.504 1.00 31.59 O ATOM 626 CB LEU A1040 -3.585 52.313 3.861 1.00 29.75 C ATOM 627 CG LEU A1040 -4.486 53.545 3.991 1.00 30.32 C ATOM 628 CD1 LEU A1040 -5.334 53.463 5.251 1.00 29.40 C ATOM 629 CD2 LEU A1040 -3.652 54.820 3.974 1.00 30.96 C ATOM 630 H LEU A1040 -4.752 51.122 1.827 1.00 0.00 H ATOM 631 N HIS A1041 -1.812 50.019 1.787 1.00 29.86 N ATOM 632 CA HIS A1041 -0.767 48.992 1.744 1.00 31.05 C ATOM 633 C HIS A1041 -0.764 48.132 2.985 1.00 31.20 C ATOM 634 O HIS A1041 0.279 47.635 3.397 1.00 32.83 O ATOM 635 CB HIS A1041 0.622 49.615 1.503 1.00 32.54 C ATOM 636 CG HIS A1041 0.754 50.353 0.182 1.00 33.49 C ATOM 637 ND1 HIS A1041 1.950 50.702 -0.333 1.00 36.37 N ATOM 638 CD2 HIS A1041 -0.208 50.791 -0.731 1.00 34.08 C ATOM 639 CE1 HIS A1041 1.767 51.338 -1.507 1.00 35.65 C ATOM 640 NE2 HIS A1041 0.446 51.388 -1.751 1.00 35.99 N ATOM 641 H HIS A1041 -2.609 49.938 1.124 1.00 0.00 H ATOM 642 N LYS A1042 -1.930 47.934 3.591 1.00 30.28 N ATOM 643 CA LYS A1042 -2.023 47.179 4.844 1.00 31.29 C ATOM 644 C LYS A1042 -2.006 45.664 4.627 1.00 29.68 C ATOM 645 O LYS A1042 -1.807 44.915 5.583 1.00 29.75 O ATOM 646 CB LYS A1042 -3.293 47.545 5.605 1.00 33.41 C ATOM 647 CG LYS A1042 -3.416 49.011 5.983 1.00 36.66 C ATOM 648 CD LYS A1042 -2.408 49.412 7.040 1.00 39.24 C ATOM 649 CE LYS A1042 -2.753 50.774 7.621 1.00 41.67 C ATOM 650 NZ LYS A1042 -1.717 51.229 8.581 1.00 44.12 N ATOM 651 HZ1 LYS A1042 -1.644 50.545 9.361 1.00 0.00 H ATOM 652 HZ2 LYS A1042 -0.801 51.299 8.093 1.00 0.00 H ATOM 653 HZ3 LYS A1042 -1.982 52.161 8.959 1.00 0.00 H ATOM 654 H LYS A1042 -2.796 48.323 3.167 1.00 0.00 H ATOM 655 N TYR A1043 -2.240 45.212 3.393 1.00 27.34 N ATOM 656 CA TYR A1043 -2.260 43.780 3.092 1.00 26.48 C ATOM 657 C TYR A1043 -1.065 43.407 2.231 1.00 27.69 C ATOM 658 O TYR A1043 -0.980 43.825 1.073 1.00 28.62 O ATOM 659 CB TYR A1043 -3.547 43.375 2.363 1.00 24.60 C ATOM 660 CG TYR A1043 -4.829 43.702 3.091 1.00 23.80 C ATOM 661 CD1 TYR A1043 -5.075 43.225 4.378 1.00 24.89 C ATOM 662 CD2 TYR A1043 -5.807 44.481 2.485 1.00 23.24 C ATOM 663 CE1 TYR A1043 -6.262 43.529 5.042 1.00 23.86 C ATOM 664 CE2 TYR A1043 -6.989 44.786 3.135 1.00 23.70 C ATOM 665 CZ TYR A1043 -7.214 44.309 4.411 1.00 24.08 C ATOM 666 OH TYR A1043 -8.399 44.623 5.033 1.00 24.06 O ATOM 667 HH TYR A1043 -8.416 44.214 5.934 1.00 0.00 H ATOM 668 H TYR A1043 -2.412 45.894 2.627 1.00 0.00 H ATOM 669 N LEU A1044 -0.149 42.620 2.790 1.00 27.75 N ATOM 670 CA LEU A1044 1.017 42.137 2.046 1.00 28.66 C ATOM 671 C LEU A1044 0.870 40.674 1.618 1.00 27.54 C ATOM 672 O LEU A1044 1.748 40.135 0.954 1.00 27.81 O ATOM 673 CB LEU A1044 2.300 42.313 2.870 1.00 30.77 C ATOM 674 CG LEU A1044 2.635 43.733 3.351 1.00 33.28 C ATOM 675 CD1 LEU A1044 4.061 43.786 3.888 1.00 34.22 C ATOM 676 CD2 LEU A1044 2.444 44.758 2.239 1.00 34.11 C ATOM 677 H LEU A1044 -0.264 42.339 3.785 1.00 0.00 H ATOM 678 N THR A1045 -0.236 40.039 1.997 1.00 27.16 N ATOM 679 CA THR A1045 -0.535 38.674 1.583 1.00 26.79 C ATOM 680 C THR A1045 -2.047 38.525 1.458 1.00 27.38 C ATOM 681 O THR A1045 -2.807 39.293 2.052 1.00 26.18 O ATOM 682 CB THR A1045 -0.016 37.621 2.589 1.00 28.49 C ATOM 683 OG1 THR A1045 -0.694 37.760 3.847 1.00 29.77 O ATOM 684 CG2 THR A1045 1.504 37.742 2.808 1.00 29.52 C ATOM 685 HG1 THR A1045 -0.353 37.081 4.481 1.00 0.00 H ATOM 686 H THR A1045 -0.912 40.535 2.612 1.00 0.00 H ATOM 687 N VAL A1046 -2.484 37.544 0.681 1.00 26.59 N ATOM 688 CA VAL A1046 -3.912 37.247 0.580 1.00 28.00 C ATOM 689 C VAL A1046 -4.437 36.693 1.912 1.00 29.71 C ATOM 690 O VAL A1046 -5.610 36.849 2.247 1.00 29.68 O ATOM 691 CB VAL A1046 -4.203 36.294 -0.592 1.00 27.52 C ATOM 692 CG1 VAL A1046 -5.678 35.913 -0.633 1.00 26.78 C ATOM 693 CG2 VAL A1046 -3.786 36.963 -1.901 1.00 27.47 C ATOM 694 H VAL A1046 -1.802 36.978 0.136 1.00 0.00 H ATOM 695 N LYS A1047 -3.557 36.069 2.685 1.00 32.29 N ATOM 696 CA LYS A1047 -3.923 35.561 4.003 1.00 33.26 C ATOM 697 C LYS A1047 -4.351 36.686 4.954 1.00 31.91 C ATOM 698 O LYS A1047 -5.327 36.548 5.687 1.00 30.78 O ATOM 699 CB LYS A1047 -2.760 34.773 4.602 1.00 37.67 C ATOM 700 CG LYS A1047 -3.178 33.709 5.592 1.00 42.32 C ATOM 701 CD LYS A1047 -1.965 33.113 6.297 1.00 47.45 C ATOM 702 CE LYS A1047 -2.352 32.001 7.262 1.00 51.37 C ATOM 703 NZ LYS A1047 -3.553 32.332 8.086 1.00 56.59 N ATOM 704 HZ1 LYS A1047 -3.361 33.186 8.648 1.00 0.00 H ATOM 705 HZ2 LYS A1047 -4.365 32.503 7.460 1.00 0.00 H ATOM 706 HZ3 LYS A1047 -3.766 31.537 8.722 1.00 0.00 H ATOM 707 H LYS A1047 -2.583 35.939 2.343 1.00 0.00 H ATOM 708 N ASP A1048 -3.621 37.794 4.938 1.00 31.07 N ATOM 709 CA ASP A1048 -3.974 38.954 5.742 1.00 31.60 C ATOM 710 C ASP A1048 -5.337 39.512 5.327 1.00 28.90 C ATOM 711 O ASP A1048 -6.138 39.897 6.173 1.00 27.97 O ATOM 712 CB ASP A1048 -2.913 40.051 5.600 1.00 34.82 C ATOM 713 CG ASP A1048 -1.570 39.663 6.207 1.00 39.75 C ATOM 714 OD1 ASP A1048 -1.536 38.963 7.243 1.00 41.24 O ATOM 715 OD2 ASP A1048 -0.537 40.080 5.645 1.00 44.83 O ATOM 716 H ASP A1048 -2.775 37.834 4.335 1.00 0.00 H ATOM 717 N TYR A1049 -5.581 39.553 4.020 1.00 25.55 N ATOM 718 CA TYR A1049 -6.848 40.021 3.468 1.00 24.65 C ATOM 719 C TYR A1049 -8.010 39.150 3.927 1.00 25.01 C ATOM 720 O TYR A1049 -9.053 39.662 4.348 1.00 23.29 O ATOM 721 CB TYR A1049 -6.771 40.028 1.938 1.00 23.60 C ATOM 722 CG TYR A1049 -8.081 40.285 1.229 1.00 22.20 C ATOM 723 CD1 TYR A1049 -8.510 41.582 0.969 1.00 21.54 C ATOM 724 CD2 TYR A1049 -8.882 39.229 0.795 1.00 21.12 C ATOM 725 CE1 TYR A1049 -9.702 41.822 0.312 1.00 20.60 C ATOM 726 CE2 TYR A1049 -10.078 39.461 0.137 1.00 20.63 C ATOM 727 CZ TYR A1049 -10.484 40.758 -0.100 1.00 20.67 C ATOM 728 OH TYR A1049 -11.667 40.998 -0.767 1.00 21.03 O ATOM 729 HH TYR A1049 -11.805 41.975 -0.851 1.00 0.00 H ATOM 730 H TYR A1049 -4.838 39.238 3.364 1.00 0.00 H ATOM 731 N LEU A1050 -7.825 37.834 3.853 1.00 25.36 N ATOM 732 CA LEU A1050 -8.873 36.899 4.261 1.00 26.97 C ATOM 733 C LEU A1050 -9.155 36.941 5.769 1.00 28.18 C ATOM 734 O LEU A1050 -10.249 36.562 6.193 1.00 28.93 O ATOM 735 CB LEU A1050 -8.545 35.469 3.808 1.00 27.43 C ATOM 736 CG LEU A1050 -8.706 35.199 2.305 1.00 28.02 C ATOM 737 CD1 LEU A1050 -8.118 33.843 1.944 1.00 27.88 C ATOM 738 CD2 LEU A1050 -10.164 35.282 1.861 1.00 26.57 C ATOM 739 H LEU A1050 -6.920 37.464 3.499 1.00 0.00 H ATOM 740 N ARG A1051 -8.195 37.402 6.576 1.00 29.39 N ATOM 741 CA ARG A1051 -8.460 37.613 8.011 1.00 30.97 C ATOM 742 C ARG A1051 -9.488 38.718 8.228 1.00 28.28 C ATOM 743 O ARG A1051 -10.310 38.622 9.135 1.00 25.59 O ATOM 744 CB ARG A1051 -7.189 37.946 8.796 1.00 35.54 C ATOM 745 CG ARG A1051 -6.286 36.753 9.045 1.00 42.61 C ATOM 746 CD ARG A1051 -5.287 37.027 10.159 1.00 49.33 C ATOM 747 NE ARG A1051 -4.150 36.105 10.100 1.00 55.10 N ATOM 748 CZ ARG A1051 -2.985 36.356 9.501 1.00 60.51 C ATOM 749 NH1 ARG A1051 -2.763 37.515 8.884 1.00 62.08 N ATOM 750 NH2 ARG A1051 -2.027 35.433 9.516 1.00 64.26 N ATOM 751 HE ARG A1051 -4.260 35.180 10.563 1.00 0.00 H ATOM 752 HH12 ARG A1051 -1.848 37.692 8.423 1.00 0.00 H ATOM 753 HH11 ARG A1051 -3.505 38.244 8.863 1.00 0.00 H ATOM 754 HH22 ARG A1051 -1.116 35.621 9.051 1.00 0.00 H ATOM 755 HH21 ARG A1051 -2.189 34.523 9.993 1.00 0.00 H ATOM 756 H ARG A1051 -7.253 37.614 6.189 1.00 0.00 H ATOM 757 N ASP A1052 -9.451 39.761 7.399 1.00 27.48 N ATOM 758 CA ASP A1052 -10.464 40.819 7.489 1.00 26.40 C ATOM 759 C ASP A1052 -11.827 40.388 6.915 1.00 25.14 C ATOM 760 O ASP A1052 -12.866 40.795 7.430 1.00 23.82 O ATOM 761 CB ASP A1052 -9.964 42.129 6.868 1.00 27.28 C ATOM 762 CG ASP A1052 -9.122 42.962 7.843 1.00 29.83 C ATOM 763 OD1 ASP A1052 -9.088 42.637 9.058 1.00 29.81 O ATOM 764 OD2 ASP A1052 -8.509 43.961 7.404 1.00 29.72 O ATOM 765 H ASP A1052 -8.699 39.826 6.683 1.00 0.00 H ATOM 766 N ILE A1053 -11.832 39.552 5.879 1.00 24.96 N ATOM 767 CA ILE A1053 -13.092 38.994 5.373 1.00 25.58 C ATOM 768 C ILE A1053 -13.717 38.096 6.450 1.00 25.21 C ATOM 769 O ILE A1053 -14.919 38.162 6.703 1.00 26.12 O ATOM 770 CB ILE A1053 -12.906 38.180 4.072 1.00 25.30 C ATOM 771 CG1 ILE A1053 -12.409 39.067 2.920 1.00 26.87 C ATOM 772 CG2 ILE A1053 -14.209 37.502 3.685 1.00 24.54 C ATOM 773 CD1 ILE A1053 -13.334 40.211 2.538 1.00 26.78 C ATOM 774 H ILE A1053 -10.934 39.292 5.423 1.00 0.00 H ATOM 775 N ASP A1054 -12.894 37.257 7.072 1.00 26.57 N ATOM 776 CA ASP A1054 -13.324 36.422 8.200 1.00 28.88 C ATOM 777 C ASP A1054 -13.854 37.242 9.377 1.00 27.67 C ATOM 778 O ASP A1054 -14.765 36.807 10.075 1.00 27.57 O ATOM 779 CB ASP A1054 -12.177 35.528 8.686 1.00 32.04 C ATOM 780 CG ASP A1054 -11.866 34.391 7.726 1.00 36.35 C ATOM 781 OD1 ASP A1054 -12.785 33.904 7.037 1.00 39.88 O ATOM 782 OD2 ASP A1054 -10.700 33.967 7.667 1.00 40.04 O ATOM 783 H ASP A1054 -11.908 37.190 6.747 1.00 0.00 H ATOM 784 N LEU A1055 -13.266 38.414 9.596 1.00 26.69 N ATOM 785 CA LEU A1055 -13.699 39.330 10.645 1.00 27.22 C ATOM 786 C LEU A1055 -15.105 39.876 10.363 1.00 26.07 C ATOM 787 O LEU A1055 -15.936 39.963 11.270 1.00 24.62 O ATOM 788 CB LEU A1055 -12.695 40.478 10.776 1.00 28.25 C ATOM 789 CG LEU A1055 -12.822 41.466 11.933 1.00 29.51 C ATOM 790 CD1 LEU A1055 -12.831 40.766 13.288 1.00 29.97 C ATOM 791 CD2 LEU A1055 -11.678 42.471 11.844 1.00 29.65 C ATOM 792 H LEU A1055 -12.464 38.689 8.994 1.00 0.00 H ATOM 793 N ILE A1056 -15.368 40.229 9.105 1.00 23.49 N ATOM 794 CA ILE A1056 -16.679 40.718 8.702 1.00 22.83 C ATOM 795 C ILE A1056 -17.713 39.645 9.019 1.00 23.31 C ATOM 796 O ILE A1056 -18.802 39.944 9.521 1.00 23.81 O ATOM 797 CB ILE A1056 -16.745 41.046 7.184 1.00 22.06 C ATOM 798 CG1 ILE A1056 -15.908 42.288 6.855 1.00 22.33 C ATOM 799 CG2 ILE A1056 -18.191 41.264 6.751 1.00 21.05 C ATOM 800 CD1 ILE A1056 -15.751 42.554 5.365 1.00 22.35 C ATOM 801 H ILE A1056 -14.616 40.153 8.391 1.00 0.00 H ATOM 802 N CYS A1057 -17.363 38.395 8.733 1.00 23.35 N ATOM 803 CA CYS A1057 -18.265 37.268 8.975 1.00 24.56 C ATOM 804 C CYS A1057 -18.459 37.002 10.473 1.00 25.30 C ATOM 805 O CYS A1057 -19.590 36.924 10.944 1.00 25.35 O ATOM 806 CB CYS A1057 -17.750 36.016 8.267 1.00 25.12 C ATOM 807 SG CYS A1057 -18.821 34.571 8.397 1.00 30.08 S ATOM 808 H CYS A1057 -16.423 38.213 8.326 1.00 0.00 H ATOM 809 N SER A1058 -17.369 36.880 11.224 1.00 25.36 N ATOM 810 CA SER A1058 -17.472 36.560 12.659 1.00 27.39 C ATOM 811 C SER A1058 -18.145 37.659 13.488 1.00 27.13 C ATOM 812 O SER A1058 -18.798 37.368 14.495 1.00 27.43 O ATOM 813 CB SER A1058 -16.097 36.229 13.244 1.00 29.59 C ATOM 814 OG SER A1058 -15.214 37.323 13.108 1.00 31.89 O ATOM 815 HG SER A1058 -14.334 37.085 13.493 1.00 0.00 H ATOM 816 H SER A1058 -16.432 37.012 10.793 1.00 0.00 H ATOM 817 N ASN A1059 -17.976 38.914 13.078 1.00 26.18 N ATOM 818 CA ASN A1059 -18.679 40.030 13.706 1.00 25.36 C ATOM 819 C ASN A1059 -20.196 39.880 13.544 1.00 25.42 C ATOM 820 O ASN A1059 -20.955 40.096 14.495 1.00 24.67 O ATOM 821 CB ASN A1059 -18.225 41.381 13.120 1.00 24.50 C ATOM 822 CG ASN A1059 -16.861 41.826 13.628 1.00 25.70 C ATOM 823 OD1 ASN A1059 -16.323 41.268 14.577 1.00 27.54 O ATOM 824 ND2 ASN A1059 -16.304 42.844 12.997 1.00 25.02 N ATOM 825 HD22 ASN A1059 -16.794 43.290 12.195 1.00 0.00 H ATOM 826 HD21 ASN A1059 -15.375 43.199 13.302 1.00 0.00 H ATOM 827 H ASN A1059 -17.326 39.105 12.289 1.00 0.00 H ATOM 828 N ALA A1060 -20.633 39.520 12.338 1.00 25.41 N ATOM 829 CA ALA A1060 -22.058 39.335 12.064 1.00 26.18 C ATOM 830 C ALA A1060 -22.635 38.158 12.854 1.00 27.33 C ATOM 831 O ALA A1060 -23.772 38.227 13.324 1.00 28.88 O ATOM 832 CB ALA A1060 -22.302 39.142 10.567 1.00 25.20 C ATOM 833 H ALA A1060 -19.945 39.367 11.573 1.00 0.00 H ATOM 834 N LEU A1061 -21.864 37.081 12.997 1.00 28.25 N ATOM 835 CA LEU A1061 -22.330 35.915 13.756 1.00 30.58 C ATOM 836 C LEU A1061 -22.379 36.234 15.255 1.00 33.09 C ATOM 837 O LEU A1061 -23.252 35.743 15.976 1.00 34.59 O ATOM 838 CB LEU A1061 -21.455 34.678 13.485 1.00 31.57 C ATOM 839 CG LEU A1061 -21.251 34.218 12.028 1.00 33.02 C ATOM 840 CD1 LEU A1061 -20.496 32.894 11.965 1.00 35.94 C ATOM 841 CD2 LEU A1061 -22.555 34.109 11.255 1.00 31.01 C ATOM 842 H LEU A1061 -20.918 37.067 12.564 1.00 0.00 H ATOM 843 N GLU A1062 -21.454 37.076 15.710 1.00 33.78 N ATOM 844 CA GLU A1062 -21.396 37.487 17.110 1.00 36.98 C ATOM 845 C GLU A1062 -22.519 38.457 17.471 1.00 36.33 C ATOM 846 O GLU A1062 -23.177 38.290 18.499 1.00 37.35 O ATOM 847 CB GLU A1062 -20.039 38.128 17.421 1.00 39.25 C ATOM 848 CG GLU A1062 -19.898 38.645 18.851 1.00 44.14 C ATOM 849 CD GLU A1062 -18.544 39.288 19.118 1.00 49.52 C ATOM 850 OE1 GLU A1062 -17.620 39.136 18.283 1.00 51.95 O ATOM 851 OE2 GLU A1062 -18.405 39.952 20.167 1.00 52.97 O ATOM 852 H GLU A1062 -20.749 37.454 15.046 1.00 0.00 H ATOM 853 N TYR A1063 -22.734 39.470 16.634 1.00 33.88 N ATOM 854 CA TYR A1063 -23.716 40.505 16.947 1.00 33.35 C ATOM 855 C TYR A1063 -25.167 40.071 16.713 1.00 33.16 C ATOM 856 O TYR A1063 -26.069 40.603 17.354 1.00 34.81 O ATOM 857 CB TYR A1063 -23.427 41.800 16.182 1.00 34.50 C ATOM 858 CG TYR A1063 -24.308 42.938 16.640 1.00 36.09 C ATOM 859 CD1 TYR A1063 -24.081 43.565 17.861 1.00 38.63 C ATOM 860 CD2 TYR A1063 -25.393 43.361 15.877 1.00 38.00 C ATOM 861 CE1 TYR A1063 -24.897 44.596 18.301 1.00 39.92 C ATOM 862 CE2 TYR A1063 -26.215 44.390 16.309 1.00 39.02 C ATOM 863 CZ TYR A1063 -25.960 45.003 17.521 1.00 41.11 C ATOM 864 OH TYR A1063 -26.768 46.024 17.960 1.00 44.91 O ATOM 865 HH TYR A1063 -26.444 46.345 18.839 1.00 0.00 H ATOM 866 H TYR A1063 -22.196 39.525 15.746 1.00 0.00 H ATOM 867 N ASN A1064 -25.387 39.106 15.820 1.00 31.13 N ATOM 868 CA ASN A1064 -26.741 38.652 15.469 1.00 30.98 C ATOM 869 C ASN A1064 -26.882 37.143 15.671 1.00 31.41 C ATOM 870 O ASN A1064 -26.984 36.400 14.698 1.00 31.75 O ATOM 871 CB ASN A1064 -27.070 38.996 14.005 1.00 29.59 C ATOM 872 CG ASN A1064 -26.595 40.379 13.595 1.00 30.20 C ATOM 873 OD1 ASN A1064 -27.356 41.343 13.629 1.00 31.40 O ATOM 874 ND2 ASN A1064 -25.328 40.479 13.195 1.00 29.55 N ATOM 875 HD22 ASN A1064 -24.719 39.636 13.182 1.00 0.00 H ATOM 876 HD21 ASN A1064 -24.948 41.400 12.896 1.00 0.00 H ATOM 877 H ASN A1064 -24.572 38.658 15.355 1.00 0.00 H ATOM 878 N PRO A1065 -26.895 36.680 16.932 1.00 33.04 N ATOM 879 CA PRO A1065 -26.896 35.243 17.206 1.00 34.96 C ATOM 880 C PRO A1065 -28.287 34.598 17.306 1.00 37.45 C ATOM 881 O PRO A1065 -28.378 33.374 17.383 1.00 37.65 O ATOM 882 CB PRO A1065 -26.208 35.173 18.569 1.00 35.98 C ATOM 883 CG PRO A1065 -26.674 36.416 19.254 1.00 36.39 C ATOM 884 CD PRO A1065 -26.866 37.462 18.183 1.00 34.29 C ATOM 885 N ASP A1066 -29.348 35.405 17.300 1.00 39.38 N ATOM 886 CA ASP A1066 -30.695 34.918 17.629 1.00 41.08 C ATOM 887 C ASP A1066 -31.323 34.039 16.561 1.00 40.48 C ATOM 888 O ASP A1066 -30.869 33.996 15.416 1.00 38.87 O ATOM 889 CB ASP A1066 -31.651 36.089 17.887 1.00 44.10 C ATOM 890 CG ASP A1066 -31.345 36.834 19.172 1.00 49.33 C ATOM 891 OD1 ASP A1066 -30.257 36.639 19.755 1.00 51.97 O ATOM 892 OD2 ASP A1066 -32.209 37.630 19.593 1.00 52.85 O ATOM 893 H ASP A1066 -29.219 36.408 17.056 1.00 0.00 H ATOM 894 N ARG A1067 -32.401 33.364 16.955 1.00 40.49 N ATOM 895 CA ARG A1067 -33.196 32.564 16.032 1.00 41.24 C ATOM 896 C ARG A1067 -34.139 33.393 15.155 1.00 39.78 C ATOM 897 O ARG A1067 -34.793 32.832 14.280 1.00 40.09 O ATOM 898 CB ARG A1067 -34.033 31.536 16.800 1.00 42.96 C ATOM 899 CG ARG A1067 -35.203 32.139 17.567 1.00 43.43 C ATOM 900 CD ARG A1067 -36.435 31.255 17.502 1.00 44.64 C ATOM 901 NE ARG A1067 -36.958 31.101 16.145 1.00 43.96 N ATOM 902 CZ ARG A1067 -37.792 31.951 15.539 1.00 45.70 C ATOM 903 NH1 ARG A1067 -38.212 33.062 16.146 1.00 46.06 N ATOM 904 NH2 ARG A1067 -38.205 31.696 14.301 1.00 43.84 N ATOM 905 HE ARG A1067 -36.657 30.263 15.609 1.00 0.00 H ATOM 906 HH12 ARG A1067 -38.861 33.709 15.655 1.00 0.00 H ATOM 907 HH11 ARG A1067 -37.890 33.281 17.110 1.00 0.00 H ATOM 908 HH22 ARG A1067 -38.854 32.353 13.824 1.00 0.00 H ATOM 909 HH21 ARG A1067 -37.879 30.839 13.810 1.00 0.00 H ATOM 910 H ARG A1067 -32.685 33.409 17.954 1.00 0.00 H ATOM 911 N ASP A1068 -34.243 34.703 15.393 1.00 39.53 N ATOM 912 CA ASP A1068 -35.183 35.523 14.623 1.00 40.75 C ATOM 913 C ASP A1068 -34.751 35.599 13.153 1.00 36.80 C ATOM 914 O ASP A1068 -33.550 35.552 12.859 1.00 35.28 O ATOM 915 CB ASP A1068 -35.379 36.922 15.240 1.00 45.89 C ATOM 916 CG ASP A1068 -34.174 37.835 15.074 1.00 51.61 C ATOM 917 OD1 ASP A1068 -33.892 38.278 13.937 1.00 55.27 O ATOM 918 OD2 ASP A1068 -33.528 38.150 16.098 1.00 59.61 O ATOM 919 H ASP A1068 -33.654 35.144 16.128 1.00 0.00 H ATOM 920 N PRO A1069 -35.725 35.705 12.231 1.00 33.31 N ATOM 921 CA PRO A1069 -35.441 35.711 10.796 1.00 31.91 C ATOM 922 C PRO A1069 -34.410 36.741 10.347 1.00 29.18 C ATOM 923 O PRO A1069 -33.582 36.430 9.502 1.00 29.30 O ATOM 924 CB PRO A1069 -36.808 36.006 10.172 1.00 32.71 C ATOM 925 CG PRO A1069 -37.773 35.436 11.146 1.00 33.82 C ATOM 926 CD PRO A1069 -37.180 35.702 12.493 1.00 34.28 C ATOM 927 N GLY A1070 -34.460 37.947 10.907 1.00 28.13 N ATOM 928 CA GLY A1070 -33.481 38.992 10.589 1.00 28.87 C ATOM 929 C GLY A1070 -32.055 38.571 10.898 1.00 28.39 C ATOM 930 O GLY A1070 -31.174 38.667 10.042 1.00 28.44 O ATOM 931 H GLY A1070 -35.216 38.155 11.591 1.00 0.00 H ATOM 932 N ASP A1071 -31.835 38.097 12.123 1.00 28.84 N ATOM 933 CA ASP A1071 -30.541 37.542 12.528 1.00 29.41 C ATOM 934 C ASP A1071 -30.104 36.379 11.634 1.00 27.28 C ATOM 935 O ASP A1071 -28.944 36.318 11.216 1.00 25.46 O ATOM 936 CB ASP A1071 -30.571 37.074 13.987 1.00 32.79 C ATOM 937 CG ASP A1071 -30.501 38.225 14.974 1.00 36.83 C ATOM 938 OD1 ASP A1071 -31.032 39.315 14.677 1.00 41.23 O ATOM 939 OD2 ASP A1071 -29.905 38.037 16.055 1.00 39.21 O ATOM 940 H ASP A1071 -32.609 38.122 12.817 1.00 0.00 H ATOM 941 N ARG A1072 -31.022 35.460 11.344 1.00 26.74 N ATOM 942 CA ARG A1072 -30.695 34.297 10.522 1.00 27.89 C ATOM 943 C ARG A1072 -30.362 34.667 9.074 1.00 26.40 C ATOM 944 O ARG A1072 -29.548 34.002 8.437 1.00 25.00 O ATOM 945 CB ARG A1072 -31.822 33.264 10.559 1.00 30.84 C ATOM 946 CG ARG A1072 -31.775 32.389 11.795 1.00 34.94 C ATOM 947 CD ARG A1072 -32.939 31.416 11.866 1.00 39.13 C ATOM 948 NE ARG A1072 -32.801 30.505 13.005 1.00 43.62 N ATOM 949 CZ ARG A1072 -33.738 29.658 13.427 1.00 47.98 C ATOM 950 NH1 ARG A1072 -34.917 29.581 12.813 1.00 51.56 N ATOM 951 NH2 ARG A1072 -33.496 28.879 14.475 1.00 49.53 N ATOM 952 HE ARG A1072 -31.900 30.521 13.525 1.00 0.00 H ATOM 953 HH12 ARG A1072 -35.639 28.914 13.155 1.00 0.00 H ATOM 954 HH11 ARG A1072 -35.116 30.187 11.992 1.00 0.00 H ATOM 955 HH22 ARG A1072 -34.224 28.216 14.809 1.00 0.00 H ATOM 956 HH21 ARG A1072 -32.578 28.932 14.962 1.00 0.00 H ATOM 957 H ARG A1072 -31.989 35.572 11.709 1.00 0.00 H ATOM 958 N LEU A1073 -30.994 35.721 8.566 1.00 25.59 N ATOM 959 CA LEU A1073 -30.720 36.219 7.215 1.00 24.89 C ATOM 960 C LEU A1073 -29.308 36.806 7.116 1.00 23.87 C ATOM 961 O LEU A1073 -28.572 36.523 6.166 1.00 23.56 O ATOM 962 CB LEU A1073 -31.747 37.296 6.832 1.00 24.56 C ATOM 963 CG LEU A1073 -31.594 37.973 5.464 1.00 23.71 C ATOM 964 CD1 LEU A1073 -31.606 36.945 4.356 1.00 24.31 C ATOM 965 CD2 LEU A1073 -32.705 38.990 5.258 1.00 24.30 C ATOM 966 H LEU A1073 -31.706 36.208 9.147 1.00 0.00 H ATOM 967 N ILE A1074 -28.929 37.620 8.090 1.00 24.23 N ATOM 968 CA ILE A1074 -27.609 38.254 8.048 1.00 25.20 C ATOM 969 C ILE A1074 -26.493 37.240 8.318 1.00 25.42 C ATOM 970 O ILE A1074 -25.424 37.347 7.726 1.00 25.62 O ATOM 971 CB ILE A1074 -27.509 39.499 8.962 1.00 25.60 C ATOM 972 CG1 ILE A1074 -26.246 40.302 8.627 1.00 26.22 C ATOM 973 CG2 ILE A1074 -27.549 39.122 10.437 1.00 26.49 C ATOM 974 CD1 ILE A1074 -26.203 41.666 9.286 1.00 27.60 C ATOM 975 H ILE A1074 -29.570 37.809 8.887 1.00 0.00 H ATOM 976 N ARG A1075 -26.740 36.249 9.180 1.00 27.04 N ATOM 977 CA ARG A1075 -25.753 35.178 9.405 1.00 26.62 C ATOM 978 C ARG A1075 -25.540 34.385 8.119 1.00 26.02 C ATOM 979 O ARG A1075 -24.408 34.037 7.774 1.00 25.63 O ATOM 980 CB ARG A1075 -26.157 34.237 10.548 1.00 27.35 C ATOM 981 CG ARG A1075 -26.031 34.849 11.936 1.00 28.80 C ATOM 982 CD ARG A1075 -25.781 33.801 13.014 1.00 31.68 C ATOM 983 NE ARG A1075 -26.833 32.786 13.095 1.00 33.86 N ATOM 984 CZ ARG A1075 -28.037 32.969 13.640 1.00 33.74 C ATOM 985 NH1 ARG A1075 -28.388 34.143 14.153 1.00 33.80 N ATOM 986 NH2 ARG A1075 -28.908 31.970 13.659 1.00 35.09 N ATOM 987 HE ARG A1075 -26.625 31.848 12.696 1.00 0.00 H ATOM 988 HH12 ARG A1075 -29.331 34.266 14.573 1.00 0.00 H ATOM 989 HH11 ARG A1075 -27.720 34.939 14.134 1.00 0.00 H ATOM 990 HH22 ARG A1075 -29.848 32.107 14.083 1.00 0.00 H ATOM 991 HH21 ARG A1075 -28.652 31.049 13.250 1.00 0.00 H ATOM 992 H ARG A1075 -27.641 36.233 9.699 1.00 0.00 H ATOM 993 N HIS A1076 -26.627 34.104 7.406 1.00 25.15 N ATOM 994 CA HIS A1076 -26.533 33.397 6.131 1.00 25.45 C ATOM 995 C HIS A1076 -25.762 34.178 5.089 1.00 24.38 C ATOM 996 O HIS A1076 -24.943 33.604 4.362 1.00 23.40 O ATOM 997 CB HIS A1076 -27.919 33.030 5.613 1.00 26.65 C ATOM 998 CG HIS A1076 -27.896 32.142 4.395 1.00 28.38 C ATOM 999 ND1 HIS A1076 -27.880 32.632 3.138 1.00 29.28 N ATOM 1000 CD2 HIS A1076 -27.877 30.751 4.275 1.00 29.57 C ATOM 1001 CE1 HIS A1076 -27.852 31.609 2.262 1.00 29.64 C ATOM 1002 NE2 HIS A1076 -27.849 30.460 2.959 1.00 28.78 N ATOM 1003 H HIS A1076 -27.560 34.393 7.762 1.00 0.00 H ATOM 1004 N ARG A1077 -26.009 35.482 5.005 1.00 23.07 N ATOM 1005 CA ARG A1077 -25.294 36.343 4.060 1.00 23.27 C ATOM 1006 C ARG A1077 -23.821 36.471 4.421 1.00 22.08 C ATOM 1007 O ARG A1077 -22.976 36.529 3.539 1.00 20.90 O ATOM 1008 CB ARG A1077 -25.911 37.739 4.018 1.00 23.97 C ATOM 1009 CG ARG A1077 -27.285 37.781 3.378 1.00 24.86 C ATOM 1010 CD ARG A1077 -27.975 39.093 3.684 1.00 25.73 C ATOM 1011 NE ARG A1077 -29.119 39.300 2.811 1.00 26.44 N ATOM 1012 CZ ARG A1077 -29.955 40.333 2.885 1.00 27.16 C ATOM 1013 NH1 ARG A1077 -29.789 41.284 3.790 1.00 27.68 N ATOM 1014 NH2 ARG A1077 -30.971 40.406 2.038 1.00 28.67 N ATOM 1015 HE ARG A1077 -29.297 38.588 2.074 1.00 0.00 H ATOM 1016 HH12 ARG A1077 -30.453 42.083 3.832 1.00 0.00 H ATOM 1017 HH11 ARG A1077 -28.995 41.232 4.459 1.00 0.00 H ATOM 1018 HH22 ARG A1077 -31.631 41.208 2.086 1.00 0.00 H ATOM 1019 HH21 ARG A1077 -31.108 39.661 1.325 1.00 0.00 H ATOM 1020 H ARG A1077 -26.729 35.902 5.627 1.00 0.00 H ATOM 1021 N ALA A1078 -23.530 36.536 5.719 1.00 22.66 N ATOM 1022 CA ALA A1078 -22.154 36.656 6.201 1.00 23.57 C ATOM 1023 C ALA A1078 -21.342 35.422 5.826 1.00 23.60 C ATOM 1024 O ALA A1078 -20.186 35.528 5.402 1.00 22.74 O ATOM 1025 CB ALA A1078 -22.138 36.869 7.714 1.00 24.62 C ATOM 1026 H ALA A1078 -24.305 36.500 6.411 1.00 0.00 H ATOM 1027 N CYS A1079 -21.958 34.251 5.965 1.00 25.01 N ATOM 1028 CA CYS A1079 -21.307 32.998 5.599 1.00 25.76 C ATOM 1029 C CYS A1079 -21.154 32.883 4.076 1.00 24.29 C ATOM 1030 O CYS A1079 -20.151 32.366 3.590 1.00 23.88 O ATOM 1031 CB CYS A1079 -22.073 31.812 6.187 1.00 30.02 C ATOM 1032 SG CYS A1079 -21.908 31.705 7.992 1.00 40.73 S ATOM 1033 H CYS A1079 -22.926 34.228 6.343 1.00 0.00 H ATOM 1034 N ALA A1080 -22.127 33.399 3.332 1.00 22.62 N ATOM 1035 CA ALA A1080 -22.043 33.440 1.869 1.00 23.44 C ATOM 1036 C ALA A1080 -20.919 34.368 1.410 1.00 23.62 C ATOM 1037 O ALA A1080 -20.219 34.064 0.444 1.00 24.24 O ATOM 1038 CB ALA A1080 -23.372 33.890 1.268 1.00 22.61 C ATOM 1039 H ALA A1080 -22.972 33.784 3.801 1.00 0.00 H ATOM 1040 N LEU A1081 -20.758 35.498 2.096 1.00 23.80 N ATOM 1041 CA LEU A1081 -19.677 36.447 1.789 1.00 25.12 C ATOM 1042 C LEU A1081 -18.326 35.758 1.927 1.00 25.94 C ATOM 1043 O LEU A1081 -17.486 35.794 1.018 1.00 24.84 O ATOM 1044 CB LEU A1081 -19.736 37.658 2.722 1.00 25.55 C ATOM 1045 CG LEU A1081 -18.608 38.689 2.563 1.00 27.56 C ATOM 1046 CD1 LEU A1081 -18.714 39.340 1.196 1.00 27.75 C ATOM 1047 CD2 LEU A1081 -18.650 39.732 3.671 1.00 29.91 C ATOM 1048 H LEU A1081 -21.416 35.716 2.871 1.00 0.00 H ATOM 1049 N ARG A1082 -18.136 35.125 3.075 1.00 26.54 N ATOM 1050 CA ARG A1082 -16.923 34.378 3.365 1.00 28.39 C ATOM 1051 C ARG A1082 -16.661 33.247 2.355 1.00 26.90 C ATOM 1052 O ARG A1082 -15.552 33.110 1.851 1.00 25.67 O ATOM 1053 CB ARG A1082 -17.013 33.818 4.782 1.00 32.08 C ATOM 1054 CG ARG A1082 -15.808 33.010 5.215 1.00 35.69 C ATOM 1055 CD ARG A1082 -15.768 32.857 6.724 1.00 40.56 C ATOM 1056 NE ARG A1082 -14.544 32.176 7.134 1.00 45.81 N ATOM 1057 CZ ARG A1082 -14.349 30.860 7.070 1.00 49.49 C ATOM 1058 NH1 ARG A1082 -15.304 30.045 6.624 1.00 51.36 N ATOM 1059 NH2 ARG A1082 -13.184 30.355 7.459 1.00 50.12 N ATOM 1060 HE ARG A1082 -13.767 32.761 7.503 1.00 0.00 H ATOM 1061 HH12 ARG A1082 -15.134 29.020 6.581 1.00 0.00 H ATOM 1062 HH11 ARG A1082 -16.219 30.434 6.319 1.00 0.00 H ATOM 1063 HH22 ARG A1082 -13.021 29.329 7.413 1.00 0.00 H ATOM 1064 HH21 ARG A1082 -12.435 30.986 7.809 1.00 0.00 H ATOM 1065 H ARG A1082 -18.884 35.164 3.797 1.00 0.00 H ATOM 1066 N ASP A1083 -17.677 32.447 2.053 1.00 26.74 N ATOM 1067 CA ASP A1083 -17.512 31.341 1.108 1.00 27.94 C ATOM 1068 C ASP A1083 -17.235 31.826 -0.311 1.00 25.12 C ATOM 1069 O ASP A1083 -16.470 31.197 -1.039 1.00 24.39 O ATOM 1070 CB ASP A1083 -18.738 30.428 1.105 1.00 31.61 C ATOM 1071 CG ASP A1083 -18.898 29.656 2.404 1.00 35.40 C ATOM 1072 OD1 ASP A1083 -17.975 29.675 3.245 1.00 39.82 O ATOM 1073 OD2 ASP A1083 -19.957 29.030 2.585 1.00 39.49 O ATOM 1074 H ASP A1083 -18.605 32.609 2.495 1.00 0.00 H ATOM 1075 N THR A1084 -17.858 32.938 -0.694 1.00 23.28 N ATOM 1076 CA THR A1084 -17.657 33.525 -2.014 1.00 22.99 C ATOM 1077 C THR A1084 -16.231 34.058 -2.175 1.00 22.66 C ATOM 1078 O THR A1084 -15.611 33.847 -3.214 1.00 23.46 O ATOM 1079 CB THR A1084 -18.659 34.668 -2.288 1.00 22.87 C ATOM 1080 OG1 THR A1084 -19.996 34.161 -2.201 1.00 21.99 O ATOM 1081 CG2 THR A1084 -18.430 35.279 -3.676 1.00 22.82 C ATOM 1082 HG1 THR A1084 -20.151 33.796 -1.294 1.00 0.00 H ATOM 1083 H THR A1084 -18.509 33.404 -0.030 1.00 0.00 H ATOM 1084 N ALA A1085 -15.718 34.742 -1.153 1.00 22.32 N ATOM 1085 CA ALA A1085 -14.360 35.288 -1.190 1.00 21.41 C ATOM 1086 C ALA A1085 -13.330 34.158 -1.305 1.00 22.26 C ATOM 1087 O ALA A1085 -12.428 34.211 -2.156 1.00 21.90 O ATOM 1088 CB ALA A1085 -14.087 36.138 0.039 1.00 22.10 C ATOM 1089 H ALA A1085 -16.299 34.892 -0.304 1.00 0.00 H ATOM 1090 N TYR A1086 -13.484 33.129 -0.471 1.00 22.53 N ATOM 1091 CA TYR A1086 -12.603 31.958 -0.527 1.00 24.72 C ATOM 1092 C TYR A1086 -12.660 31.227 -1.875 1.00 24.43 C ATOM 1093 O TYR A1086 -11.636 30.759 -2.357 1.00 24.12 O ATOM 1094 CB TYR A1086 -12.888 30.990 0.626 1.00 27.04 C ATOM 1095 CG TYR A1086 -12.176 31.351 1.920 1.00 29.12 C ATOM 1096 CD1 TYR A1086 -12.701 32.301 2.786 1.00 31.01 C ATOM 1097 CD2 TYR A1086 -10.976 30.737 2.276 1.00 31.61 C ATOM 1098 CE1 TYR A1086 -12.062 32.633 3.972 1.00 31.78 C ATOM 1099 CE2 TYR A1086 -10.327 31.060 3.461 1.00 32.58 C ATOM 1100 CZ TYR A1086 -10.878 32.012 4.305 1.00 33.02 C ATOM 1101 OH TYR A1086 -10.253 32.343 5.485 1.00 33.90 O ATOM 1102 HH TYR A1086 -10.783 33.034 5.956 1.00 0.00 H ATOM 1103 H TYR A1086 -14.247 33.158 0.236 1.00 0.00 H ATOM 1104 N ALA A1087 -13.846 31.149 -2.476 1.00 23.43 N ATOM 1105 CA ALA A1087 -14.036 30.455 -3.751 1.00 24.38 C ATOM 1106 C ALA A1087 -13.396 31.199 -4.927 1.00 24.66 C ATOM 1107 O ALA A1087 -12.762 30.580 -5.787 1.00 24.66 O ATOM 1108 CB ALA A1087 -15.519 30.225 -4.012 1.00 25.30 C ATOM 1109 H ALA A1087 -14.668 31.598 -2.023 1.00 0.00 H ATOM 1110 N ILE A1088 -13.553 32.523 -4.961 1.00 23.94 N ATOM 1111 CA ILE A1088 -12.890 33.350 -5.968 1.00 24.18 C ATOM 1112 C ILE A1088 -11.371 33.199 -5.859 1.00 24.26 C ATOM 1113 O ILE A1088 -10.687 33.012 -6.866 1.00 24.24 O ATOM 1114 CB ILE A1088 -13.265 34.844 -5.838 1.00 24.77 C ATOM 1115 CG1 ILE A1088 -14.728 35.078 -6.236 1.00 25.18 C ATOM 1116 CG2 ILE A1088 -12.357 35.699 -6.706 1.00 24.66 C ATOM 1117 CD1 ILE A1088 -15.255 36.459 -5.863 1.00 24.43 C ATOM 1118 H ILE A1088 -14.163 32.979 -4.253 1.00 0.00 H ATOM 1119 N ILE A1089 -10.852 33.276 -4.637 1.00 24.79 N ATOM 1120 CA ILE A1089 -9.414 33.151 -4.397 1.00 25.98 C ATOM 1121 C ILE A1089 -8.902 31.759 -4.800 1.00 27.74 C ATOM 1122 O ILE A1089 -7.867 31.652 -5.446 1.00 27.27 O ATOM 1123 CB ILE A1089 -9.038 33.499 -2.929 1.00 26.45 C ATOM 1124 CG1 ILE A1089 -9.240 34.999 -2.681 1.00 26.11 C ATOM 1125 CG2 ILE A1089 -7.592 33.138 -2.629 1.00 27.04 C ATOM 1126 CD1 ILE A1089 -9.128 35.404 -1.227 1.00 25.79 C ATOM 1127 H ILE A1089 -11.487 33.430 -3.828 1.00 0.00 H ATOM 1128 N LYS A1090 -9.642 30.708 -4.464 1.00 28.69 N ATOM 1129 CA LYS A1090 -9.252 29.345 -4.835 1.00 31.46 C ATOM 1130 C LYS A1090 -9.148 29.176 -6.361 1.00 33.51 C ATOM 1131 O LYS A1090 -8.260 28.489 -6.867 1.00 32.78 O ATOM 1132 CB LYS A1090 -10.259 28.337 -4.277 1.00 34.61 C ATOM 1133 CG LYS A1090 -9.849 26.877 -4.429 1.00 38.73 C ATOM 1134 CD LYS A1090 -11.047 25.955 -4.262 1.00 41.65 C ATOM 1135 CE LYS A1090 -10.649 24.486 -4.310 1.00 46.25 C ATOM 1136 NZ LYS A1090 -10.174 24.001 -2.985 1.00 50.33 N ATOM 1137 HZ1 LYS A1090 -9.345 24.556 -2.691 1.00 0.00 H ATOM 1138 HZ2 LYS A1090 -10.934 24.112 -2.284 1.00 0.00 H ATOM 1139 HZ3 LYS A1090 -9.912 22.997 -3.058 1.00 0.00 H ATOM 1140 H LYS A1090 -10.519 30.856 -3.925 1.00 0.00 H ATOM 1141 N GLU A1091 -10.056 29.810 -7.086 1.00 31.70 N ATOM 1142 CA GLU A1091 -10.114 29.667 -8.529 1.00 33.93 C ATOM 1143 C GLU A1091 -9.126 30.580 -9.266 1.00 32.08 C ATOM 1144 O GLU A1091 -8.646 30.224 -10.342 1.00 33.60 O ATOM 1145 CB GLU A1091 -11.542 29.935 -9.000 1.00 38.01 C ATOM 1146 CG GLU A1091 -11.875 29.374 -10.369 1.00 46.43 C ATOM 1147 CD GLU A1091 -13.357 29.045 -10.520 1.00 54.64 C ATOM 1148 OE1 GLU A1091 -14.197 29.785 -9.957 1.00 58.39 O ATOM 1149 OE2 GLU A1091 -13.684 28.042 -11.198 1.00 56.71 O ATOM 1150 H GLU A1091 -10.745 30.426 -6.610 1.00 0.00 H ATOM 1151 N GLU A1092 -8.812 31.740 -8.689 1.00 28.44 N ATOM 1152 CA GLU A1092 -8.117 32.803 -9.427 1.00 28.39 C ATOM 1153 C GLU A1092 -6.750 33.239 -8.871 1.00 28.24 C ATOM 1154 O GLU A1092 -5.988 33.883 -9.584 1.00 29.26 O ATOM 1155 CB GLU A1092 -9.045 34.016 -9.553 1.00 27.47 C ATOM 1156 CG GLU A1092 -10.402 33.660 -10.157 1.00 27.55 C ATOM 1157 CD GLU A1092 -11.337 34.842 -10.294 1.00 28.21 C ATOM 1158 OE1 GLU A1092 -10.859 35.990 -10.399 1.00 27.62 O ATOM 1159 OE2 GLU A1092 -12.567 34.624 -10.310 1.00 28.28 O ATOM 1160 H GLU A1092 -9.065 31.896 -7.692 1.00 0.00 H ATOM 1161 N LEU A1093 -6.456 32.919 -7.612 1.00 26.15 N ATOM 1162 CA LEU A1093 -5.144 33.183 -7.031 1.00 27.55 C ATOM 1163 C LEU A1093 -4.165 32.064 -7.402 1.00 28.56 C ATOM 1164 O LEU A1093 -4.427 30.899 -7.126 1.00 28.57 O ATOM 1165 CB LEU A1093 -5.248 33.274 -5.499 1.00 27.51 C ATOM 1166 CG LEU A1093 -3.949 33.509 -4.720 1.00 26.97 C ATOM 1167 CD1 LEU A1093 -3.293 34.806 -5.158 1.00 25.60 C ATOM 1168 CD2 LEU A1093 -4.223 33.511 -3.221 1.00 28.29 C ATOM 1169 H LEU A1093 -7.185 32.466 -7.024 1.00 0.00 H ATOM 1170 N ASP A1094 -3.047 32.415 -8.028 1.00 29.57 N ATOM 1171 CA ASP A1094 -1.975 31.443 -8.281 1.00 31.27 C ATOM 1172 C ASP A1094 -1.247 31.179 -6.964 1.00 28.72 C ATOM 1173 O ASP A1094 -0.815 32.117 -6.301 1.00 26.99 O ATOM 1174 CB ASP A1094 -1.005 31.970 -9.338 1.00 32.97 C ATOM 1175 CG ASP A1094 0.020 30.933 -9.766 1.00 37.70 C ATOM 1176 OD1 ASP A1094 0.755 30.413 -8.900 1.00 39.16 O ATOM 1177 OD2 ASP A1094 0.107 30.650 -10.980 1.00 39.32 O ATOM 1178 H ASP A1094 -2.928 33.398 -8.345 1.00 0.00 H ATOM 1179 N GLU A1095 -1.120 29.911 -6.588 1.00 29.53 N ATOM 1180 CA GLU A1095 -0.484 29.542 -5.314 1.00 32.24 C ATOM 1181 C GLU A1095 0.976 29.999 -5.233 1.00 29.26 C ATOM 1182 O GLU A1095 1.471 30.296 -4.152 1.00 27.48 O ATOM 1183 CB GLU A1095 -0.568 28.027 -5.069 1.00 36.70 C ATOM 1184 CG GLU A1095 -1.928 27.554 -4.575 1.00 41.93 C ATOM 1185 CD GLU A1095 -2.056 26.037 -4.529 1.00 48.69 C ATOM 1186 OE1 GLU A1095 -1.032 25.340 -4.343 1.00 51.32 O ATOM 1187 OE2 GLU A1095 -3.193 25.537 -4.678 1.00 53.50 O ATOM 1188 H GLU A1095 -1.480 29.160 -7.211 1.00 0.00 H ATOM 1189 N ASP A1096 1.660 30.065 -6.369 1.00 28.25 N ATOM 1190 CA ASP A1096 3.059 30.513 -6.382 1.00 28.47 C ATOM 1191 C ASP A1096 3.160 32.026 -6.215 1.00 26.66 C ATOM 1192 O ASP A1096 4.177 32.531 -5.733 1.00 25.90 O ATOM 1193 CB ASP A1096 3.775 30.058 -7.652 1.00 30.30 C ATOM 1194 CG ASP A1096 3.969 28.551 -7.707 1.00 35.04 C ATOM 1195 OD1 ASP A1096 4.008 27.906 -6.637 1.00 36.64 O ATOM 1196 OD2 ASP A1096 4.081 28.008 -8.826 1.00 36.79 O ATOM 1197 H ASP A1096 1.199 29.796 -7.262 1.00 0.00 H ATOM 1198 N PHE A1097 2.106 32.748 -6.598 1.00 24.96 N ATOM 1199 CA PHE A1097 2.045 34.182 -6.339 1.00 24.79 C ATOM 1200 C PHE A1097 1.857 34.461 -4.840 1.00 25.38 C ATOM 1201 O PHE A1097 2.510 35.346 -4.285 1.00 24.22 O ATOM 1202 CB PHE A1097 0.929 34.854 -7.139 1.00 24.41 C ATOM 1203 CG PHE A1097 0.861 36.333 -6.924 1.00 24.10 C ATOM 1204 CD1 PHE A1097 1.735 37.182 -7.590 1.00 24.58 C ATOM 1205 CD2 PHE A1097 -0.048 36.878 -6.025 1.00 24.10 C ATOM 1206 CE1 PHE A1097 1.694 38.547 -7.378 1.00 24.70 C ATOM 1207 CE2 PHE A1097 -0.095 38.243 -5.811 1.00 23.62 C ATOM 1208 CZ PHE A1097 0.778 39.077 -6.484 1.00 24.17 C ATOM 1209 H PHE A1097 1.316 32.282 -7.088 1.00 0.00 H ATOM 1210 N GLU A1098 0.964 33.719 -4.193 1.00 26.64 N ATOM 1211 CA GLU A1098 0.744 33.891 -2.759 1.00 29.09 C ATOM 1212 C GLU A1098 1.993 33.504 -1.963 1.00 29.71 C ATOM 1213 O GLU A1098 2.308 34.155 -0.969 1.00 30.59 O ATOM 1214 CB GLU A1098 -0.487 33.101 -2.282 1.00 32.30 C ATOM 1215 CG GLU A1098 -0.716 33.048 -0.765 1.00 34.33 C ATOM 1216 CD GLU A1098 -0.908 34.408 -0.085 1.00 38.56 C ATOM 1217 OE1 GLU A1098 -0.777 35.464 -0.741 1.00 40.72 O ATOM 1218 OE2 GLU A1098 -1.195 34.423 1.142 1.00 40.78 O ATOM 1219 H GLU A1098 0.415 33.006 -4.715 1.00 0.00 H ATOM 1220 N GLN A1099 2.695 32.453 -2.395 1.00 28.80 N ATOM 1221 CA GLN A1099 3.921 32.029 -1.717 1.00 29.50 C ATOM 1222 C GLN A1099 4.999 33.110 -1.815 1.00 28.05 C ATOM 1223 O GLN A1099 5.689 33.394 -0.838 1.00 28.63 O ATOM 1224 CB GLN A1099 4.438 30.703 -2.284 1.00 31.28 C ATOM 1225 CG GLN A1099 5.582 30.074 -1.486 1.00 33.17 C ATOM 1226 CD GLN A1099 5.206 29.772 -0.045 1.00 35.50 C ATOM 1227 OE1 GLN A1099 4.049 29.497 0.257 1.00 37.44 O ATOM 1228 NE2 GLN A1099 6.185 29.823 0.851 1.00 35.34 N ATOM 1229 HE22 GLN A1099 7.152 30.060 0.551 1.00 0.00 H ATOM 1230 HE21 GLN A1099 5.984 29.626 1.852 1.00 0.00 H ATOM 1231 H GLN A1099 2.364 31.926 -3.229 1.00 0.00 H ATOM 1232 N LEU A1100 5.124 33.724 -2.987 1.00 26.36 N ATOM 1233 CA LEU A1100 6.051 34.840 -3.175 1.00 26.36 C ATOM 1234 C LEU A1100 5.756 35.995 -2.226 1.00 27.07 C ATOM 1235 O LEU A1100 6.672 36.533 -1.596 1.00 26.86 O ATOM 1236 CB LEU A1100 6.019 35.341 -4.623 1.00 25.55 C ATOM 1237 CG LEU A1100 6.934 36.526 -4.946 1.00 25.69 C ATOM 1238 CD1 LEU A1100 8.357 36.250 -4.481 1.00 26.56 C ATOM 1239 CD2 LEU A1100 6.917 36.825 -6.441 1.00 25.52 C ATOM 1240 H LEU A1100 4.548 33.403 -3.791 1.00 0.00 H ATOM 1241 N CYS A1101 4.484 36.382 -2.132 1.00 26.66 N ATOM 1242 CA CYS A1101 4.069 37.446 -1.218 1.00 27.24 C ATOM 1243 C CYS A1101 4.464 37.109 0.220 1.00 28.52 C ATOM 1244 O CYS A1101 5.023 37.947 0.919 1.00 28.08 O ATOM 1245 CB CYS A1101 2.561 37.704 -1.322 1.00 26.56 C ATOM 1246 SG CYS A1101 2.067 38.492 -2.875 1.00 27.13 S ATOM 1247 H CYS A1101 3.768 35.915 -2.724 1.00 0.00 H ATOM 1248 N GLU A1102 4.204 35.877 0.643 1.00 30.49 N ATOM 1249 CA GLU A1102 4.532 35.454 2.007 1.00 34.77 C ATOM 1250 C GLU A1102 6.032 35.475 2.285 1.00 36.28 C ATOM 1251 O GLU A1102 6.454 35.881 3.368 1.00 36.98 O ATOM 1252 CB GLU A1102 3.958 34.065 2.304 1.00 39.65 C ATOM 1253 CG GLU A1102 2.447 34.082 2.484 1.00 44.39 C ATOM 1254 CD GLU A1102 1.855 32.713 2.749 1.00 52.31 C ATOM 1255 OE1 GLU A1102 2.616 31.795 3.129 1.00 58.89 O ATOM 1256 OE2 GLU A1102 0.620 32.557 2.578 1.00 54.00 O ATOM 1257 H GLU A1102 3.758 35.199 -0.007 1.00 0.00 H ATOM 1258 N GLU A1103 6.836 35.065 1.306 1.00 36.03 N ATOM 1259 CA GLU A1103 8.288 35.052 1.479 1.00 37.65 C ATOM 1260 C GLU A1103 8.896 36.459 1.453 1.00 39.91 C ATOM 1261 O GLU A1103 9.931 36.683 2.068 1.00 44.73 O ATOM 1262 CB GLU A1103 8.959 34.118 0.458 1.00 36.79 C ATOM 1263 CG GLU A1103 8.688 32.648 0.766 1.00 36.62 C ATOM 1264 CD GLU A1103 9.260 31.675 -0.252 1.00 35.83 C ATOM 1265 OE1 GLU A1103 10.132 32.067 -1.053 1.00 35.16 O ATOM 1266 OE2 GLU A1103 8.837 30.496 -0.241 1.00 35.34 O ATOM 1267 H GLU A1103 6.425 34.749 0.404 1.00 0.00 H ATOM 1268 N ILE A1104 8.260 37.406 0.765 1.00 39.64 N ATOM 1269 CA ILE A1104 8.704 38.802 0.812 1.00 40.49 C ATOM 1270 C ILE A1104 8.362 39.409 2.174 1.00 45.31 C ATOM 1271 O ILE A1104 9.187 40.103 2.769 1.00 45.48 O ATOM 1272 CB ILE A1104 8.068 39.673 -0.291 1.00 38.86 C ATOM 1273 CG1 ILE A1104 8.505 39.213 -1.680 1.00 37.83 C ATOM 1274 CG2 ILE A1104 8.462 41.132 -0.109 1.00 37.99 C ATOM 1275 CD1 ILE A1104 7.781 39.915 -2.813 1.00 35.79 C ATOM 1276 H ILE A1104 7.435 37.151 0.185 1.00 0.00 H ATOM 1277 N GLN A1105 7.148 39.139 2.660 1.00 49.39 N ATOM 1278 CA GLN A1105 6.675 39.672 3.947 1.00 52.92 C ATOM 1279 C GLN A1105 7.503 39.151 5.123 1.00 55.52 C ATOM 1280 O GLN A1105 7.738 39.875 6.086 1.00 55.45 O ATOM 1281 CB GLN A1105 5.195 39.324 4.178 1.00 51.31 C ATOM 1282 CG GLN A1105 4.553 40.059 5.354 1.00 52.49 C ATOM 1283 CD GLN A1105 3.250 39.426 5.822 1.00 54.69 C ATOM 1284 OE1 GLN A1105 3.140 38.202 5.923 1.00 57.20 O ATOM 1285 NE2 GLN A1105 2.256 40.263 6.122 1.00 51.21 N ATOM 1286 HE22 GLN A1105 2.392 41.289 6.022 1.00 0.00 H ATOM 1287 HE21 GLN A1105 1.345 39.890 6.456 1.00 0.00 H ATOM 1288 H GLN A1105 6.513 38.529 2.108 1.00 0.00 H ATOM 1289 N GLU A1106 7.931 37.894 5.043 1.00 60.38 N ATOM 1290 CA GLU A1106 8.735 37.282 6.103 1.00 66.02 C ATOM 1291 C GLU A1106 10.183 37.785 6.122 1.00 67.83 C ATOM 1292 O GLU A1106 10.882 37.621 7.122 1.00 71.04 O ATOM 1293 CB GLU A1106 8.686 35.755 5.991 1.00 68.74 C ATOM 1294 CG GLU A1106 7.411 35.168 6.578 1.00 72.10 C ATOM 1295 CD GLU A1106 6.909 33.946 5.833 1.00 76.36 C ATOM 1296 OE1 GLU A1106 7.712 33.028 5.574 1.00 82.62 O ATOM 1297 OE2 GLU A1106 5.702 33.903 5.514 1.00 79.00 O ATOM 1298 H GLU A1106 7.688 37.330 4.204 1.00 0.00 H ATOM 1299 N SER A1107 10.619 38.401 5.024 1.00 69.16 N ATOM 1300 CA SER A1107 11.939 39.038 4.951 1.00 72.97 C ATOM 1301 C SER A1107 11.890 40.532 5.294 1.00 76.34 C ATOM 1302 O SER A1107 12.935 41.155 5.482 1.00 78.68 O ATOM 1303 CB SER A1107 12.531 38.861 3.553 1.00 70.23 C ATOM 1304 OG SER A1107 11.744 39.535 2.585 1.00 66.62 O ATOM 1305 HG SER A1107 12.145 39.407 1.689 1.00 0.00 H ATOM 1306 H SER A1107 10.001 38.432 4.188 1.00 0.00 H ATOM 1307 N ARG A1108 10.684 41.101 5.359 1.00 79.44 N ATOM 1308 CA ARG A1108 10.496 42.525 5.668 1.00 81.57 C ATOM 1309 C ARG A1108 10.896 42.839 7.104 1.00 85.80 C ATOM 1310 O ARG A1108 10.438 42.190 8.045 1.00 89.36 O ATOM 1311 CB ARG A1108 9.036 42.946 5.445 1.00 81.07 C ATOM 1312 CG ARG A1108 8.661 43.189 3.991 1.00 79.80 C ATOM 1313 CD ARG A1108 8.871 44.645 3.606 1.00 80.67 C ATOM 1314 NE ARG A1108 8.724 44.877 2.170 1.00 79.62 N ATOM 1315 CZ ARG A1108 9.641 44.576 1.248 1.00 79.49 C ATOM 1316 NH1 ARG A1108 10.796 44.007 1.589 1.00 80.50 N ATOM 1317 NH2 ARG A1108 9.398 44.840 -0.032 1.00 76.70 N ATOM 1318 OXT ARG A1108 11.682 43.754 7.352 1.00 87.94 O ATOM 1319 HE ARG A1108 7.837 45.310 1.842 1.00 0.00 H ATOM 1320 HH12 ARG A1108 11.499 43.779 0.858 1.00 0.00 H ATOM 1321 HH11 ARG A1108 10.994 43.791 2.587 1.00 0.00 H ATOM 1322 HH22 ARG A1108 10.109 44.608 -0.755 1.00 0.00 H ATOM 1323 HH21 ARG A1108 8.497 45.279 -0.311 1.00 0.00 H ATOM 1324 H ARG A1108 9.844 40.513 5.184 1.00 0.00 H TER 1325 ARG A1108 HETATM 1326 O HOH 1 -35.064 32.456 9.088 1.00 41.50 O HETATM 1327 O HOH 2 14.792 39.130 -6.275 1.00 50.87 O HETATM 1328 O HOH 3 14.505 38.022 0.173 1.00 47.26 O HETATM 1329 O HOH 4 4.039 52.775 -4.036 1.00 63.09 O HETATM 1330 O HOH 5 -6.997 40.612 -10.681 1.00 26.66 O HETATM 1331 O HOH 6 -15.245 48.008 -4.025 1.00 56.58 O HETATM 1332 O HOH 7 -18.777 36.506 -7.176 1.00 68.16 O HETATM 1333 O HOH 8 -18.172 33.776 -7.767 1.00 57.38 O HETATM 1334 O HOH 9 -25.837 46.622 -3.266 1.00 45.09 O HETATM 1335 O HOH 10 -20.194 50.143 -1.938 1.00 63.21 O HETATM 1336 O HOH 11 -31.733 42.258 -1.599 1.00 56.63 O HETATM 1337 O HOH 12 -20.846 34.375 -6.830 1.00 49.53 O HETATM 1338 O HOH 13 -17.437 51.679 12.548 1.00 53.96 O HETATM 1339 O HOH 14 -18.836 50.377 14.815 1.00 51.85 O HETATM 1340 O HOH 15 -9.241 49.698 16.007 1.00 63.12 O HETATM 1341 O HOH 16 -11.515 42.691 21.807 1.00 45.01 O HETATM 1342 O HOH 17 -14.170 51.761 -4.005 1.00 52.87 O HETATM 1343 O HOH 18 -4.961 55.677 0.694 1.00 43.54 O HETATM 1344 O HOH 19 -3.576 46.933 9.682 1.00 64.39 O HETATM 1345 O HOH 20 -9.173 34.803 11.077 1.00 51.90 O HETATM 1346 O HOH 21 -8.634 38.928 13.128 1.00 49.37 O HETATM 1347 O HOH 22 -12.917 33.730 12.018 1.00 59.62 O HETATM 1348 O HOH 23 -17.102 32.899 14.086 1.00 46.87 O HETATM 1349 O HOH 24 -41.670 35.170 17.751 1.00 54.48 O HETATM 1350 O HOH 25 -26.956 28.468 12.651 1.00 62.88 O HETATM 1351 O HOH 26 -18.255 27.899 -1.625 1.00 50.64 O HETATM 1352 O HOH 27 -18.892 30.628 -5.188 1.00 44.66 O HETATM 1353 O HOH 28 -13.512 27.381 -1.532 1.00 36.17 O HETATM 1354 O HOH 29 -10.957 27.532 -0.345 1.00 49.49 O HETATM 1355 O HOH 30 -6.776 28.949 -1.964 1.00 64.86 O HETATM 1356 O HOH 31 -7.140 30.466 0.619 1.00 59.73 O HETATM 1357 O HOH 32 -14.246 26.543 -3.957 1.00 43.58 O HETATM 1358 O HOH 33 -11.538 26.163 -7.736 1.00 54.56 O HETATM 1359 O HOH 34 -6.622 26.811 -13.238 1.00 54.69 O HETATM 1360 O HOH 35 -17.966 27.924 -5.720 1.00 46.91 O HETATM 1361 O HOH 36 -2.490 29.948 -1.919 1.00 47.92 O HETATM 1362 O HOH 37 2.272 27.257 -2.197 1.00 55.94 O HETATM 1363 O HOH 38 6.727 35.264 9.809 1.00 66.08 O HETATM 1364 O HOH 39 -19.638 55.440 5.118 1.00 63.82 O HETATM 1365 O HOH 40 -14.225 39.913 21.656 1.00 69.63 O HETATM 1366 O HOH 41 -9.977 35.017 16.526 1.00 63.56 O HETATM 1367 O HOH 42 -17.080 26.448 -3.613 1.00 54.79 O HETATM 1368 O HOH 43 -8.166 28.270 2.923 1.00 68.36 O HETATM 1369 O HOH 44 -4.782 31.670 0.080 1.00 59.45 O HETATM 1370 O HOH 45 -16.219 51.832 15.174 1.00 58.39 O HETATM 1371 O HOH 46 11.117 47.913 -2.524 1.00 61.63 O HETATM 1372 O HOH 47 13.703 41.636 -6.275 1.00 49.44 O HETATM 1373 O HOH 48 15.459 47.577 -7.300 1.00 55.43 O HETATM 1374 O HOH 49 8.410 39.992 -9.667 1.00 56.70 O HETATM 1375 O HOH 50 12.760 40.196 0.392 1.00 39.93 O HETATM 1376 O HOH 51 3.989 48.289 -4.409 1.00 38.23 O HETATM 1377 O HOH 52 4.761 48.316 -1.882 1.00 54.92 O HETATM 1378 O HOH 53 7.166 43.020 -12.814 1.00 51.76 O HETATM 1379 O HOH 54 5.702 39.154 -8.936 1.00 42.55 O HETATM 1380 O HOH 55 2.806 47.542 -11.517 1.00 40.27 O HETATM 1381 O HOH 56 -2.523 51.781 -13.038 1.00 49.89 O HETATM 1382 O HOH 57 3.541 50.545 -5.813 1.00 52.39 O HETATM 1383 O HOH 58 0.846 36.760 -11.564 1.00 36.52 O HETATM 1384 O HOH 59 -1.348 38.743 -13.850 1.00 22.99 O HETATM 1385 O HOH 60 -2.376 52.028 -3.453 1.00 44.46 O HETATM 1386 O HOH 61 0.504 46.599 -0.533 1.00 28.80 O HETATM 1387 O HOH 62 -8.410 45.988 -9.394 1.00 17.49 O HETATM 1388 O HOH 63 -8.993 39.616 -9.105 1.00 40.81 O HETATM 1389 O HOH 64 -10.993 46.783 -9.035 1.00 32.02 O HETATM 1390 O HOH 65 -14.117 43.361 -10.099 1.00 49.30 O HETATM 1391 O HOH 66 -11.882 42.629 -12.819 1.00 40.99 O HETATM 1392 O HOH 67 -11.696 45.272 -11.605 1.00 37.68 O HETATM 1393 O HOH 68 -17.710 48.952 -5.227 1.00 55.25 O HETATM 1394 O HOH 69 -20.145 40.111 -8.194 1.00 38.82 O HETATM 1395 O HOH 70 -20.055 38.133 -5.279 1.00 37.62 O HETATM 1396 O HOH 71 -18.183 38.413 -9.650 1.00 47.16 O HETATM 1397 O HOH 72 -17.137 35.979 -9.519 1.00 48.98 O HETATM 1398 O HOH 73 -23.844 45.076 -2.287 1.00 28.62 O HETATM 1399 O HOH 74 -21.796 48.438 -3.606 1.00 48.80 O HETATM 1400 O HOH 75 -25.327 46.312 -6.114 1.00 54.68 O HETATM 1401 O HOH 76 -26.725 37.919 -5.271 1.00 57.49 O HETATM 1402 O HOH 77 -26.429 41.169 -6.960 1.00 40.61 O HETATM 1403 O HOH 78 -29.613 44.308 -0.966 1.00 39.62 O HETATM 1404 O HOH 79 -27.219 42.887 2.638 1.00 26.31 O HETATM 1405 O HOH 80 -26.613 33.168 -0.585 1.00 37.27 O HETATM 1406 O HOH 81 -23.798 31.294 -2.750 1.00 56.47 O HETATM 1407 O HOH 82 -21.568 33.678 -4.234 1.00 38.19 O HETATM 1408 O HOH 83 -23.469 48.736 4.682 1.00 52.84 O HETATM 1409 O HOH 84 -29.617 44.472 2.059 1.00 47.32 O HETATM 1410 O HOH 85 -24.053 48.134 7.594 1.00 52.26 O HETATM 1411 O HOH 86 -21.162 46.671 7.979 1.00 37.83 O HETATM 1412 O HOH 87 -18.150 48.958 -0.195 1.00 40.57 O HETATM 1413 O HOH 88 -22.773 51.117 0.144 1.00 71.40 O HETATM 1414 O HOH 89 -22.568 53.982 7.453 1.00 53.06 O HETATM 1415 O HOH 90 -19.263 49.612 12.044 1.00 46.13 O HETATM 1416 O HOH 91 -26.089 50.670 10.236 1.00 69.95 O HETATM 1417 O HOH 92 -22.618 51.562 17.511 1.00 43.83 O HETATM 1418 O HOH 93 -29.727 48.774 18.982 1.00 69.53 O HETATM 1419 O HOH 94 -27.814 43.616 21.301 1.00 63.20 O HETATM 1420 O HOH 95 -18.143 44.778 11.403 1.00 31.01 O HETATM 1421 O HOH 96 -21.669 42.640 12.036 1.00 29.63 O HETATM 1422 O HOH 97 -18.220 42.645 23.585 1.00 54.04 O HETATM 1423 O HOH 98 -15.869 42.141 19.184 1.00 37.89 O HETATM 1424 O HOH 99 -14.719 42.460 16.664 1.00 26.11 O HETATM 1425 O HOH 100 -11.804 49.410 16.435 1.00 54.42 O HETATM 1426 O HOH 101 -8.070 44.106 11.024 1.00 45.81 O HETATM 1427 O HOH 102 -12.519 40.905 16.963 1.00 45.26 O HETATM 1428 O HOH 103 -10.997 41.778 19.249 1.00 60.56 O HETATM 1429 O HOH 104 -8.464 40.813 18.393 1.00 55.75 O HETATM 1430 O HOH 105 -11.834 48.103 13.376 1.00 49.73 O HETATM 1431 O HOH 106 -13.187 49.285 9.922 1.00 45.20 O HETATM 1432 O HOH 107 -16.786 48.888 9.946 1.00 46.73 O HETATM 1433 O HOH 108 -19.782 44.457 8.328 1.00 25.76 O HETATM 1434 O HOH 109 -19.066 47.246 10.592 1.00 55.59 O HETATM 1435 O HOH 110 -15.235 52.492 5.847 1.00 55.29 O HETATM 1436 O HOH 111 -15.768 48.121 -1.160 1.00 49.92 O HETATM 1437 O HOH 112 -13.466 52.974 0.619 1.00 38.60 O HETATM 1438 O HOH 113 -15.190 51.507 -1.270 1.00 61.17 O HETATM 1439 O HOH 114 -10.314 50.845 7.833 1.00 63.58 O HETATM 1440 O HOH 115 -7.139 54.513 1.996 1.00 34.98 O HETATM 1441 O HOH 116 -12.890 53.808 4.776 1.00 49.72 O HETATM 1442 O HOH 117 -11.255 54.253 0.031 1.00 44.27 O HETATM 1443 O HOH 118 -9.315 55.667 2.930 1.00 42.30 O HETATM 1444 O HOH 119 -7.534 47.601 10.637 1.00 56.31 O HETATM 1445 O HOH 120 -2.635 46.318 0.755 1.00 25.00 O HETATM 1446 O HOH 121 -3.143 54.407 -2.710 1.00 47.21 O HETATM 1447 O HOH 122 -0.351 54.056 0.372 1.00 55.40 O HETATM 1448 O HOH 123 -8.533 54.541 -0.416 1.00 47.44 O HETATM 1449 O HOH 124 1.619 46.749 6.520 1.00 68.53 O HETATM 1450 O HOH 125 1.577 49.576 5.661 1.00 64.40 O HETATM 1451 O HOH 126 3.158 47.378 0.207 1.00 39.91 O HETATM 1452 O HOH 127 4.728 49.937 1.503 1.00 59.10 O HETATM 1453 O HOH 128 -3.001 42.955 7.543 1.00 60.43 O HETATM 1454 O HOH 129 -0.368 42.336 5.321 1.00 30.89 O HETATM 1455 O HOH 130 -3.677 49.500 10.848 1.00 52.11 O HETATM 1456 O HOH 131 0.835 50.930 7.912 1.00 61.69 O HETATM 1457 O HOH 132 0.271 36.153 5.819 1.00 41.51 O HETATM 1458 O HOH 133 -6.365 34.296 6.796 1.00 41.49 O HETATM 1459 O HOH 134 -5.755 41.449 8.384 1.00 46.01 O HETATM 1460 O HOH 135 -10.327 37.254 11.416 1.00 33.73 O HETATM 1461 O HOH 136 -15.188 33.763 10.007 1.00 38.76 O HETATM 1462 O HOH 137 -12.705 36.558 12.614 1.00 33.27 O HETATM 1463 O HOH 138 -8.397 34.143 8.446 1.00 49.61 O HETATM 1464 O HOH 139 -20.180 42.354 9.735 1.00 27.23 O HETATM 1465 O HOH 140 -17.391 32.866 11.100 1.00 54.94 O HETATM 1466 O HOH 141 -18.155 34.828 15.715 1.00 45.96 O HETATM 1467 O HOH 142 -15.621 38.753 15.427 1.00 34.61 O HETATM 1468 O HOH 143 -12.719 37.931 15.327 1.00 62.23 O HETATM 1469 O HOH 144 -14.281 32.826 14.564 1.00 57.97 O HETATM 1470 O HOH 145 -24.016 33.184 15.730 1.00 40.01 O HETATM 1471 O HOH 146 -20.793 33.134 17.687 1.00 49.75 O HETATM 1472 O HOH 147 -23.141 36.252 20.383 1.00 46.06 O HETATM 1473 O HOH 148 -16.745 36.460 17.557 1.00 56.73 O HETATM 1474 O HOH 149 -25.679 41.799 20.147 1.00 54.05 O HETATM 1475 O HOH 150 -28.393 41.982 18.209 1.00 54.22 O HETATM 1476 O HOH 151 -25.992 31.815 17.089 1.00 44.96 O HETATM 1477 O HOH 152 -29.743 34.038 20.899 1.00 64.82 O HETATM 1478 O HOH 153 -30.281 39.626 18.101 1.00 43.23 O HETATM 1479 O HOH 154 -34.989 35.763 18.208 1.00 51.66 O HETATM 1480 O HOH 155 -34.276 35.353 21.004 1.00 71.25 O HETATM 1481 O HOH 156 -32.804 32.929 19.920 1.00 46.17 O HETATM 1482 O HOH 157 -37.640 29.207 13.704 1.00 30.10 O HETATM 1483 O HOH 158 -40.620 33.121 13.686 1.00 56.50 O HETATM 1484 O HOH 159 -39.070 34.415 18.409 1.00 45.12 O HETATM 1485 O HOH 160 -34.831 41.102 16.129 1.00 63.02 O HETATM 1486 O HOH 161 -36.487 39.014 13.090 1.00 53.81 O HETATM 1487 O HOH 162 -36.136 32.289 11.639 1.00 33.59 O HETATM 1488 O HOH 163 -34.438 34.581 7.646 1.00 31.38 O HETATM 1489 O HOH 164 -28.956 31.247 8.724 1.00 39.41 O HETATM 1490 O HOH 165 -30.496 30.143 14.805 1.00 43.00 O HETATM 1491 O HOH 166 -24.762 30.640 9.081 1.00 61.86 O HETATM 1492 O HOH 167 -25.086 30.548 11.919 1.00 58.27 O HETATM 1493 O HOH 168 -24.582 30.948 3.640 1.00 37.61 O HETATM 1494 O HOH 169 -27.433 34.835 1.529 1.00 34.57 O HETATM 1495 O HOH 170 -18.247 30.686 5.959 1.00 46.39 O HETATM 1496 O HOH 171 -21.665 31.326 -0.988 1.00 54.52 O HETATM 1497 O HOH 172 -19.480 30.170 -2.597 1.00 41.09 O HETATM 1498 O HOH 173 -15.740 28.712 -0.482 1.00 28.63 O HETATM 1499 O HOH 174 -15.336 28.532 2.389 1.00 50.52 O HETATM 1500 O HOH 175 -22.264 29.185 4.168 1.00 54.61 O HETATM 1501 O HOH 176 -22.670 30.050 1.319 1.00 59.60 O HETATM 1502 O HOH 177 -17.247 32.709 -5.512 1.00 50.15 O HETATM 1503 O HOH 178 -9.362 29.858 -0.750 1.00 39.20 O HETATM 1504 O HOH 179 -7.569 32.154 5.648 1.00 50.32 O HETATM 1505 O HOH 180 -13.400 27.858 -6.183 1.00 36.94 O HETATM 1506 O HOH 181 -15.554 31.522 -7.644 1.00 63.34 O HETATM 1507 O HOH 182 -5.617 28.560 -6.131 1.00 53.64 O HETATM 1508 O HOH 183 -7.334 25.916 -1.819 1.00 69.23 O HETATM 1509 O HOH 184 -8.819 27.703 -11.503 1.00 51.37 O HETATM 1510 O HOH 185 -15.774 28.513 -7.713 1.00 55.43 O HETATM 1511 O HOH 186 -14.082 32.570 -9.921 1.00 41.74 O HETATM 1512 O HOH 187 -4.753 30.069 -3.825 1.00 66.62 O HETATM 1513 O HOH 188 2.379 28.970 -10.784 1.00 50.83 O HETATM 1514 O HOH 189 0.940 27.639 -8.181 1.00 64.11 O HETATM 1515 O HOH 190 -1.271 32.410 -12.848 1.00 56.75 O HETATM 1516 O HOH 191 -2.103 27.599 -8.342 1.00 40.28 O HETATM 1517 O HOH 192 0.362 29.374 -1.855 1.00 40.50 O HETATM 1518 O HOH 193 0.819 25.214 -6.552 1.00 71.32 O HETATM 1519 O HOH 194 4.344 27.612 -3.971 1.00 49.98 O HETATM 1520 O HOH 195 1.386 30.500 0.628 1.00 57.22 O HETATM 1521 O HOH 196 9.489 29.150 2.000 1.00 49.98 O HETATM 1522 O HOH 197 11.775 35.361 3.202 1.00 53.39 O HETATM 1523 O HOH 198 6.265 37.970 8.597 1.00 61.01 O HETATM 1524 O HOH 199 9.583 35.827 9.035 1.00 77.35 O HETATM 1525 O HOH 200 10.126 33.208 4.138 1.00 52.12 O HETATM 1526 O HOH 201 -4.092 33.705 -15.742 1.00 71.66 O HETATM 1527 O HOH 202 -2.894 35.093 -11.767 1.00 56.62 O HETATM 1528 O HOH 203 -3.252 31.009 -14.616 1.00 74.46 O HETATM 1529 O HOH 204 -5.083 38.643 -11.172 1.00 23.90 O HETATM 1530 C01 UNN A 205 -23.605 44.820 9.960 1.00 -0.02 C HETATM 1531 C05 UNN A 205 -24.932 44.821 10.673 1.00 0.03 C HETATM 1532 C06 UNN A 205 -25.835 45.758 10.344 1.00 -0.04 C HETATM 1533 C08 UNN A 205 -27.110 45.788 11.009 1.00 0.00 C HETATM 1534 C09 UNN A 205 -28.108 46.726 10.742 1.00 -0.06 C HETATM 1535 C11 UNN A 205 -29.289 46.640 11.448 1.00 -0.02 C HETATM 1536 N13 UNN A 205 -29.542 45.710 12.386 1.00 -0.30 N HETATM 1537 C14 UNN A 205 -28.613 44.776 12.682 1.00 0.14 C HETATM 1538 N15 UNN A 205 -28.924 43.875 13.639 1.00 -0.31 N HETATM 1539 C17 UNN A 205 -30.259 43.543 14.114 1.00 0.07 C HETATM 1540 C19 UNN A 205 -30.204 43.040 15.554 1.00 0.01 C HETATM 1541 C22 UNN A 205 -31.589 42.652 16.026 1.00 -0.03 C HETATM 1542 N25 UNN A 205 -32.135 41.597 15.167 1.00 0.23 N HETATM 1543 C27 UNN A 205 -32.275 42.077 13.793 1.00 -0.00 C HETATM 1544 C30 UNN A 205 -30.925 42.497 13.232 1.00 0.12 C HETATM 1545 O32 UNN A 205 -31.105 43.055 11.927 1.00 -0.37 O HETATM 1546 C33 UNN A 205 -31.200 42.104 10.863 1.00 0.05 C HETATM 1547 C36 UNN A 205 -31.218 42.815 9.533 1.00 -0.02 C HETATM 1548 C38 UNN A 205 -29.896 43.531 9.287 1.00 -0.05 C HETATM 1549 C41 UNN A 205 -29.842 44.205 7.920 1.00 -0.05 C HETATM 1550 C44 UNN A 205 -30.103 43.209 6.808 1.00 -0.05 C HETATM 1551 C47 UNN A 205 -31.419 42.483 7.025 1.00 -0.05 C HETATM 1552 C50 UNN A 205 -31.465 41.824 8.402 1.00 -0.05 C HETATM 1553 H29 UNN A 205 -32.457 41.369 8.542 1.00 0.03 H HETATM 1554 H30 UNN A 205 -30.693 41.041 8.444 1.00 0.03 H HETATM 1555 H27 UNN A 205 -31.533 41.708 6.252 1.00 0.03 H HETATM 1556 H28 UNN A 205 -32.245 43.205 6.945 1.00 0.03 H HETATM 1557 H25 UNN A 205 -29.286 42.473 6.785 1.00 0.03 H HETATM 1558 H26 UNN A 205 -30.142 43.744 5.848 1.00 0.03 H HETATM 1559 H23 UNN A 205 -28.846 44.649 7.778 1.00 0.03 H HETATM 1560 H24 UNN A 205 -30.605 44.996 7.880 1.00 0.03 H HETATM 1561 H21 UNN A 205 -29.080 42.796 9.350 1.00 0.03 H HETATM 1562 H22 UNN A 205 -29.760 44.298 10.064 1.00 0.03 H HETATM 1563 H20 UNN A 205 -32.030 43.557 9.542 1.00 0.03 H HETATM 1564 H18 UNN A 205 -32.126 41.522 10.977 1.00 0.06 H HETATM 1565 H19 UNN A 205 -30.334 41.427 10.902 1.00 0.06 H HETATM 1566 H17 UNN A 205 -30.274 41.612 13.167 1.00 0.07 H HETATM 1567 H15 UNN A 205 -32.956 42.940 13.779 1.00 0.08 H HETATM 1568 H16 UNN A 205 -32.691 41.272 13.169 1.00 0.08 H HETATM 1569 H13 UNN A 205 -33.039 41.320 15.515 1.00 0.20 H HETATM 1570 H14 UNN A 205 -31.513 40.804 15.180 1.00 0.20 H HETATM 1571 H11 UNN A 205 -32.248 43.532 15.985 1.00 0.08 H HETATM 1572 H12 UNN A 205 -31.531 42.285 17.061 1.00 0.08 H HETATM 1573 H9 UNN A 205 -29.809 43.836 16.202 1.00 0.03 H HETATM 1574 H10 UNN A 205 -29.543 42.162 15.607 1.00 0.03 H HETATM 1575 H8 UNN A 205 -30.870 44.458 14.086 1.00 0.06 H HETATM 1576 H7 UNN A 205 -28.138 43.373 14.076 1.00 0.18 H HETATM 1577 C53 UNN A 205 -27.374 44.820 11.985 1.00 0.13 C HETATM 1578 N54 UNN A 205 -26.400 43.880 12.276 1.00 -0.23 N HETATM 1579 C56 UNN A 205 -25.182 43.810 11.691 1.00 0.22 C HETATM 1580 O57 UNN A 205 -24.386 42.932 12.020 1.00 -0.40 O HETATM 1581 H31 UNN A 205 -26.614 43.198 12.975 1.00 0.24 H HETATM 1582 H6 UNN A 205 -30.063 47.368 11.233 1.00 0.06 H HETATM 1583 H5 UNN A 205 -27.959 47.502 9.999 1.00 0.05 H HETATM 1584 H4 UNN A 205 -25.603 46.494 9.575 1.00 0.06 H HETATM 1585 H1 UNN A 205 -23.581 45.642 9.229 1.00 0.04 H HETATM 1586 H2 UNN A 205 -23.470 43.861 9.438 1.00 0.04 H HETATM 1587 H3 UNN A 205 -22.795 44.957 10.692 1.00 0.04 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1530 1531 1585 1586 1587 CONECT 1531 1530 1532 1579 CONECT 1532 1531 1533 1584 CONECT 1533 1532 1534 1577 CONECT 1534 1533 1535 1583 CONECT 1535 1534 1536 1582 CONECT 1536 1535 1537 CONECT 1537 1536 1538 1577 CONECT 1538 1537 1539 1576 CONECT 1539 1538 1540 1544 1575 CONECT 1540 1539 1541 1573 1574 CONECT 1541 1540 1542 1571 1572 CONECT 1542 1541 1543 1569 1570 CONECT 1543 1542 1544 1567 1568 CONECT 1544 1539 1543 1545 1566 CONECT 1545 1544 1546 CONECT 1546 1545 1547 1564 1565 CONECT 1547 1546 1548 1552 1563 CONECT 1548 1547 1549 1561 1562 CONECT 1549 1548 1550 1559 1560 CONECT 1550 1549 1551 1557 1558 CONECT 1551 1550 1552 1555 1556 CONECT 1552 1547 1551 1553 1554 CONECT 1553 1552 CONECT 1554 1552 CONECT 1555 1551 CONECT 1556 1551 CONECT 1557 1550 CONECT 1558 1550 CONECT 1559 1549 CONECT 1560 1549 CONECT 1561 1548 CONECT 1562 1548 CONECT 1563 1547 CONECT 1564 1546 CONECT 1565 1546 CONECT 1566 1544 CONECT 1567 1543 CONECT 1568 1543 CONECT 1569 1542 CONECT 1570 1542 CONECT 1571 1541 CONECT 1572 1541 CONECT 1573 1540 CONECT 1574 1540 CONECT 1575 1539 CONECT 1576 1538 CONECT 1577 1533 1537 1578 CONECT 1578 1577 1579 1581 CONECT 1579 1531 1578 1580 CONECT 1580 1579 CONECT 1581 1578 CONECT 1582 1535 CONECT 1583 1534 CONECT 1584 1532 CONECT 1585 1530 CONECT 1586 1530 CONECT 1587 1530 MASTER 0 0 0 0 0 0 0 0 1586 1 62 10 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5a81
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
6s57
RCSB PDB
PDBbind
130aa, >6S57_1|Chain... at 100%
6s56
RCSB PDB
PDBbind
130aa, >6S56_1|Chain... at 100%
6s55
RCSB PDB
PDBbind
130aa, >6S55_1|Chain... at 100%
4qsu
RCSB PDB
PDBbind
130aa, >4QSU_1|Chain... *
4qsv
RCSB PDB
PDBbind
130aa, >4QSV_1|Chain... at 100%
4qsw
RCSB PDB
PDBbind
130aa, >4QSW_1|Chain... at 100%
4qsx
RCSB PDB
PDBbind
130aa, >4QSX_1|Chain... at 100%
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%
5a82
RCSB PDB
PDBbind
130aa, >5A82_1|Chain... at 100%
5a83
RCSB PDB
PDBbind
130aa, >5A83_1|Chain... at 100%
5lj0
RCSB PDB
PDBbind
130aa, >5LJ0_1|Chain... at 100%
6hdn
RCSB PDB
PDBbind
130aa, >6HDN_1|Chain... at 100%
6hdo
RCSB PDB
PDBbind
130aa, >6HDO_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5a85
RCSB PDB
PDBbind
78J
Entry Information
PDB ID
5a81
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human ATAD2 bromodomain
Ligand Name
78J
EC.Number
E.C.3.6.1.3
Resolution
2.03(Å)
Affinity (Kd/Ki/IC50)
Kd=2.9uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) J.Med.Chem. Vol. 58: pp. 6151-6178
Ligand Properties
Formula
C
2
1
H
3
1
N
4
O
2
Molecular Weight
371.496
Exact Mass
371.245
No. of atoms
58
No. of bonds
61
Polar Surface Area
83.62
LOGP Value
3.01 (
Computed with XLOGP3
)
3.59 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 4
Canonical SMILES
O=c1[nH]c2c(nccc2cc1C)N[C@@H]1CC[NH2+]C[C@H]1OCC1CCCCC1
InChI String
InChI=1S/C21H30N4O2/c1-14-11-16-7-10-23-20(19(16)25-21(14)26)24-17-8-9-22-12-18(17)27-13-15-5-3-2-4-6-15/h7,10-11,15,17-18,22H,2-6,8-9,12-13H2,1H3,(H,23,24)(H,25,26)/p+1/t17-,18-/m1/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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓