Browse entries in the PDBbind-CN Database
HEADER 6S57_COMPLEX COMPND 6S57_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 KVT A 310 58 ATOM 1 N SER A 979 12.755 46.118 -3.318 1.00 58.64 N ATOM 2 CA SER A 979 13.077 46.256 -4.768 1.00 61.60 C ATOM 3 C SER A 979 11.819 46.653 -5.555 1.00 64.25 C ATOM 4 O SER A 979 10.697 46.510 -5.012 1.00 56.13 O ATOM 5 CB SER A 979 13.662 44.973 -5.309 1.00 63.26 C ATOM 6 OG SER A 979 12.679 43.945 -5.322 1.00 60.57 O ATOM 7 HG SER A 979 13.079 43.112 -5.679 1.00 0.00 H ATOM 8 HN3 SER A 979 12.029 45.384 -3.194 1.00 0.00 H ATOM 9 HN2 SER A 979 12.398 47.025 -2.956 1.00 0.00 H ATOM 10 HN1 SER A 979 13.614 45.849 -2.797 1.00 0.00 H ATOM 11 N MET A 980 12.005 47.108 -6.797 1.00 68.62 N ATOM 12 CA MET A 980 10.908 47.426 -7.751 1.00 69.57 C ATOM 13 C MET A 980 10.129 46.145 -8.097 1.00 61.71 C ATOM 14 O MET A 980 8.909 46.236 -8.263 1.00 56.80 O ATOM 15 CB MET A 980 11.457 48.062 -9.035 1.00 78.74 C ATOM 16 CG MET A 980 10.387 48.736 -9.884 1.00 88.10 C ATOM 17 SD MET A 980 9.503 50.061 -9.002 1.00 99.93 S ATOM 18 CE MET A 980 7.877 49.933 -9.744 1.00 93.18 C ATOM 19 H MET A 980 12.984 47.250 -7.119 1.00 0.00 H ATOM 20 N GLN A 981 10.803 44.996 -8.208 1.00 56.96 N ATOM 21 CA GLN A 981 10.143 43.680 -8.435 1.00 57.19 C ATOM 22 C GLN A 981 9.174 43.419 -7.274 1.00 47.85 C ATOM 23 O GLN A 981 8.019 42.999 -7.541 1.00 45.17 O ATOM 24 CB GLN A 981 11.157 42.538 -8.549 1.00 63.47 C ATOM 25 CG GLN A 981 12.310 42.820 -9.508 1.00 71.64 C ATOM 26 CD GLN A 981 13.486 43.488 -8.827 1.00 77.63 C ATOM 27 OE1 GLN A 981 13.825 44.637 -9.111 1.00 78.01 O ATOM 28 NE2 GLN A 981 14.103 42.781 -7.892 1.00 82.27 N ATOM 29 HE22 GLN A 981 13.788 41.813 -7.680 1.00 0.00 H ATOM 30 HE21 GLN A 981 14.902 43.194 -7.370 1.00 0.00 H ATOM 31 H GLN A 981 11.840 45.022 -8.132 1.00 0.00 H ATOM 32 N GLU A 982 9.614 43.662 -6.032 1.00 42.80 N ATOM 33 CA GLU A 982 8.776 43.430 -4.826 1.00 40.53 C ATOM 34 C GLU A 982 7.634 44.449 -4.813 1.00 37.40 C ATOM 35 O GLU A 982 6.505 44.046 -4.492 1.00 32.83 O ATOM 36 CB GLU A 982 9.595 43.454 -3.542 1.00 44.05 C ATOM 37 CG GLU A 982 10.473 42.220 -3.404 1.00 49.19 C ATOM 38 CD GLU A 982 11.412 42.239 -2.209 1.00 53.48 C ATOM 39 OE1 GLU A 982 11.560 43.316 -1.588 1.00 52.90 O ATOM 40 OE2 GLU A 982 11.988 41.179 -1.901 1.00 49.91 O ATOM 41 H GLU A 982 10.580 44.027 -5.907 1.00 0.00 H ATOM 42 N GLU A 983 7.903 45.708 -5.165 1.00 37.52 N ATOM 43 CA GLU A 983 6.832 46.734 -5.258 1.00 39.84 C ATOM 44 C GLU A 983 5.810 46.291 -6.320 1.00 34.71 C ATOM 45 O GLU A 983 4.590 46.479 -6.078 1.00 34.51 O ATOM 46 CB GLU A 983 7.426 48.105 -5.570 1.00 44.54 C ATOM 47 CG GLU A 983 8.124 48.720 -4.368 1.00 51.63 C ATOM 48 CD GLU A 983 8.977 49.940 -4.680 1.00 63.76 C ATOM 49 OE1 GLU A 983 8.744 50.570 -5.740 1.00 67.88 O ATOM 50 OE2 GLU A 983 9.884 50.253 -3.866 1.00 70.30 O ATOM 51 H GLU A 983 8.884 45.977 -5.379 1.00 0.00 H ATOM 52 N ASP A 984 6.272 45.742 -7.450 1.00 33.28 N ATOM 53 CA ASP A 984 5.383 45.253 -8.541 1.00 34.19 C ATOM 54 C ASP A 984 4.511 44.105 -8.007 1.00 32.73 C ATOM 55 O ASP A 984 3.322 44.040 -8.417 1.00 29.06 O ATOM 56 CB ASP A 984 6.148 44.809 -9.791 1.00 41.61 C ATOM 57 CG ASP A 984 6.845 45.943 -10.547 1.00 46.69 C ATOM 58 OD1 ASP A 984 6.520 47.116 -10.300 1.00 47.96 O ATOM 59 OD2 ASP A 984 7.697 45.633 -11.378 1.00 53.59 O ATOM 60 H ASP A 984 7.301 45.653 -7.572 1.00 0.00 H ATOM 61 N THR A 985 5.070 43.232 -7.153 1.00 29.99 N ATOM 62 CA THR A 985 4.320 42.094 -6.561 1.00 28.78 C ATOM 63 C THR A 985 3.169 42.649 -5.712 1.00 26.64 C ATOM 64 O THR A 985 2.012 42.185 -5.868 1.00 26.38 O ATOM 65 CB THR A 985 5.210 41.142 -5.760 1.00 29.09 C ATOM 66 OG1 THR A 985 6.243 40.665 -6.629 1.00 31.84 O ATOM 67 CG2 THR A 985 4.414 39.974 -5.212 1.00 29.09 C ATOM 68 HG1 THR A 985 5.835 40.189 -7.395 1.00 0.00 H ATOM 69 H THR A 985 6.070 43.358 -6.895 1.00 0.00 H ATOM 70 N PHE A 986 3.458 43.586 -4.801 1.00 26.66 N ATOM 71 CA PHE A 986 2.419 44.131 -3.907 1.00 27.87 C ATOM 72 C PHE A 986 1.412 44.929 -4.738 1.00 27.26 C ATOM 73 O PHE A 986 0.246 44.921 -4.361 1.00 27.38 O ATOM 74 CB PHE A 986 3.012 44.906 -2.732 1.00 30.16 C ATOM 75 CG PHE A 986 3.758 44.019 -1.770 1.00 33.16 C ATOM 76 CD1 PHE A 986 3.211 42.823 -1.326 1.00 34.85 C ATOM 77 CD2 PHE A 986 5.016 44.364 -1.326 1.00 34.33 C ATOM 78 CE1 PHE A 986 3.882 42.016 -0.422 1.00 36.03 C ATOM 79 CE2 PHE A 986 5.684 43.560 -0.412 1.00 35.65 C ATOM 80 CZ PHE A 986 5.127 42.386 0.029 1.00 36.48 C ATOM 81 H PHE A 986 4.434 43.937 -4.722 1.00 0.00 H ATOM 82 N ARG A 987 1.813 45.592 -5.826 1.00 27.80 N ATOM 83 CA ARG A 987 0.829 46.331 -6.655 1.00 28.06 C ATOM 84 C ARG A 987 -0.119 45.317 -7.306 1.00 26.33 C ATOM 85 O ARG A 987 -1.321 45.585 -7.334 1.00 24.91 O ATOM 86 CB ARG A 987 1.491 47.214 -7.713 1.00 29.93 C ATOM 87 CG ARG A 987 0.489 48.120 -8.411 1.00 31.04 C ATOM 88 CD ARG A 987 1.105 49.357 -9.045 1.00 32.38 C ATOM 89 NE ARG A 987 0.074 50.111 -9.739 1.00 33.45 N ATOM 90 CZ ARG A 987 -0.287 49.933 -11.008 1.00 34.18 C ATOM 91 NH1 ARG A 987 0.290 49.011 -11.770 1.00 32.69 N ATOM 92 NH2 ARG A 987 -1.256 50.678 -11.506 1.00 36.00 N ATOM 93 HE ARG A 987 -0.422 50.850 -9.200 1.00 0.00 H ATOM 94 HH12 ARG A 987 -0.010 48.891 -12.759 1.00 0.00 H ATOM 95 HH11 ARG A 987 1.042 48.409 -11.378 1.00 0.00 H ATOM 96 HH22 ARG A 987 -1.552 50.553 -12.495 1.00 0.00 H ATOM 97 HH21 ARG A 987 -1.724 51.390 -10.909 1.00 0.00 H ATOM 98 H ARG A 987 2.818 45.590 -6.093 1.00 0.00 H ATOM 99 N GLU A 988 0.405 44.205 -7.815 1.00 24.57 N ATOM 100 CA GLU A 988 -0.477 43.159 -8.395 1.00 24.26 C ATOM 101 C GLU A 988 -1.439 42.631 -7.316 1.00 24.01 C ATOM 102 O GLU A 988 -2.669 42.437 -7.611 1.00 23.23 O ATOM 103 CB GLU A 988 0.341 42.023 -9.010 1.00 25.82 C ATOM 104 CG GLU A 988 -0.548 40.923 -9.522 1.00 27.50 C ATOM 105 CD GLU A 988 0.046 39.988 -10.562 1.00 31.85 C ATOM 106 OE1 GLU A 988 1.184 40.228 -11.011 1.00 31.93 O ATOM 107 OE2 GLU A 988 -0.660 39.032 -10.938 1.00 28.20 O ATOM 108 H GLU A 988 1.436 44.067 -7.807 1.00 0.00 H ATOM 109 N LEU A 989 -0.944 42.400 -6.102 1.00 24.35 N ATOM 110 CA LEU A 989 -1.810 41.961 -4.981 1.00 25.90 C ATOM 111 C LEU A 989 -2.944 42.974 -4.761 1.00 24.75 C ATOM 112 O LEU A 989 -4.104 42.563 -4.668 1.00 22.15 O ATOM 113 CB LEU A 989 -0.977 41.774 -3.711 1.00 27.98 C ATOM 114 CG LEU A 989 -1.799 41.440 -2.465 1.00 27.46 C ATOM 115 CD1 LEU A 989 -2.544 40.123 -2.611 1.00 27.06 C ATOM 116 CD2 LEU A 989 -0.941 41.440 -1.204 1.00 30.42 C ATOM 117 H LEU A 989 0.074 42.531 -5.936 1.00 0.00 H ATOM 118 N ARG A 990 -2.642 44.273 -4.699 1.00 24.57 N ATOM 119 CA ARG A 990 -3.706 45.289 -4.464 1.00 23.08 C ATOM 120 C ARG A 990 -4.719 45.266 -5.604 1.00 22.17 C ATOM 121 O ARG A 990 -5.931 45.345 -5.320 1.00 22.68 O ATOM 122 CB ARG A 990 -3.087 46.683 -4.275 1.00 23.84 C ATOM 123 CG ARG A 990 -2.217 46.782 -3.035 1.00 26.03 C ATOM 124 CD ARG A 990 -1.868 48.218 -2.699 1.00 26.69 C ATOM 125 NE ARG A 990 -1.059 48.835 -3.727 1.00 28.21 N ATOM 126 CZ ARG A 990 0.268 48.801 -3.764 1.00 28.31 C ATOM 127 NH1 ARG A 990 0.946 48.144 -2.845 1.00 29.43 N ATOM 128 NH2 ARG A 990 0.938 49.409 -4.732 1.00 30.71 N ATOM 129 HE ARG A 990 -1.551 49.341 -4.491 1.00 0.00 H ATOM 130 HH12 ARG A 990 1.985 48.123 -2.881 1.00 0.00 H ATOM 131 HH11 ARG A 990 0.442 47.647 -2.083 1.00 0.00 H ATOM 132 HH22 ARG A 990 1.977 49.373 -4.747 1.00 0.00 H ATOM 133 HH21 ARG A 990 0.425 49.922 -5.477 1.00 0.00 H ATOM 134 H ARG A 990 -1.655 44.579 -4.816 1.00 0.00 H ATOM 135 N ILE A 991 -4.281 45.155 -6.868 1.00 23.53 N ATOM 136 CA ILE A 991 -5.224 45.107 -8.026 1.00 24.22 C ATOM 137 C ILE A 991 -6.144 43.889 -7.871 1.00 22.73 C ATOM 138 O ILE A 991 -7.369 44.019 -8.034 1.00 22.57 O ATOM 139 CB ILE A 991 -4.440 45.125 -9.350 1.00 24.99 C ATOM 140 CG1 ILE A 991 -3.722 46.470 -9.517 1.00 27.43 C ATOM 141 CG2 ILE A 991 -5.345 44.818 -10.518 1.00 26.27 C ATOM 142 CD1 ILE A 991 -2.631 46.459 -10.529 1.00 28.84 C ATOM 143 H ILE A 991 -3.258 45.101 -7.046 1.00 0.00 H ATOM 144 N PHE A 992 -5.573 42.735 -7.570 1.00 21.95 N ATOM 145 CA PHE A 992 -6.350 41.492 -7.344 1.00 22.88 C ATOM 146 C PHE A 992 -7.366 41.703 -6.210 1.00 21.93 C ATOM 147 O PHE A 992 -8.576 41.379 -6.352 1.00 22.42 O ATOM 148 CB PHE A 992 -5.388 40.345 -7.069 1.00 24.80 C ATOM 149 CG PHE A 992 -6.106 39.070 -6.722 1.00 25.20 C ATOM 150 CD1 PHE A 992 -6.775 38.354 -7.696 1.00 28.96 C ATOM 151 CD2 PHE A 992 -6.137 38.622 -5.414 1.00 27.67 C ATOM 152 CE1 PHE A 992 -7.446 37.191 -7.368 1.00 27.21 C ATOM 153 CE2 PHE A 992 -6.822 37.459 -5.092 1.00 27.36 C ATOM 154 CZ PHE A 992 -7.429 36.737 -6.073 1.00 25.19 C ATOM 155 H PHE A 992 -4.537 42.697 -7.488 1.00 0.00 H ATOM 156 N LEU A 993 -6.921 42.230 -5.079 1.00 22.97 N ATOM 157 CA LEU A 993 -7.825 42.408 -3.911 1.00 22.12 C ATOM 158 C LEU A 993 -8.923 43.439 -4.194 1.00 21.99 C ATOM 159 O LEU A 993 -10.062 43.207 -3.757 1.00 21.56 O ATOM 160 CB LEU A 993 -7.046 42.797 -2.664 1.00 22.55 C ATOM 161 CG LEU A 993 -6.056 41.769 -2.133 1.00 24.24 C ATOM 162 CD1 LEU A 993 -5.371 42.302 -0.894 1.00 27.28 C ATOM 163 CD2 LEU A 993 -6.753 40.460 -1.859 1.00 24.34 C ATOM 164 H LEU A 993 -5.926 42.523 -5.007 1.00 0.00 H ATOM 165 N ARG A 994 -8.639 44.527 -4.901 1.00 23.04 N ATOM 166 CA ARG A 994 -9.689 45.502 -5.272 1.00 23.61 C ATOM 167 C ARG A 994 -10.735 44.843 -6.165 1.00 23.30 C ATOM 168 O ARG A 994 -11.948 45.100 -5.994 1.00 23.35 O ATOM 169 CB ARG A 994 -9.115 46.700 -6.025 1.00 26.85 C ATOM 170 CG ARG A 994 -8.403 47.695 -5.148 1.00 30.81 C ATOM 171 CD ARG A 994 -8.152 48.976 -5.946 1.00 30.21 C ATOM 172 NE ARG A 994 -7.041 49.555 -5.272 1.00 30.82 N ATOM 173 CZ ARG A 994 -5.765 49.444 -5.597 1.00 30.75 C ATOM 174 NH1 ARG A 994 -5.366 48.845 -6.709 1.00 31.33 N ATOM 175 NH2 ARG A 994 -4.872 49.984 -4.789 1.00 33.29 N ATOM 176 HE ARG A 994 -7.257 50.128 -4.432 1.00 0.00 H ATOM 177 HH12 ARG A 994 -4.352 48.778 -6.929 1.00 0.00 H ATOM 178 HH11 ARG A 994 -6.067 48.441 -7.363 1.00 0.00 H ATOM 179 HH22 ARG A 994 -3.859 49.916 -5.014 1.00 0.00 H ATOM 180 HH21 ARG A 994 -5.181 50.478 -3.928 1.00 0.00 H ATOM 181 H ARG A 994 -7.658 44.697 -5.200 1.00 0.00 H ATOM 182 N ASN A 995 -10.302 43.981 -7.082 1.00 22.22 N ATOM 183 CA ASN A 995 -11.237 43.311 -8.023 1.00 23.63 C ATOM 184 C ASN A 995 -12.141 42.351 -7.240 1.00 23.44 C ATOM 185 O ASN A 995 -13.367 42.395 -7.452 1.00 22.38 O ATOM 186 CB ASN A 995 -10.498 42.634 -9.177 1.00 25.90 C ATOM 187 CG ASN A 995 -11.433 41.844 -10.065 1.00 29.18 C ATOM 188 OD1 ASN A 995 -11.564 40.652 -9.866 1.00 29.26 O ATOM 189 ND2 ASN A 995 -12.135 42.506 -10.986 1.00 33.13 N ATOM 190 HD22 ASN A 995 -11.987 43.527 -11.119 1.00 0.00 H ATOM 191 HD21 ASN A 995 -12.831 42.001 -11.572 1.00 0.00 H ATOM 192 H ASN A 995 -9.285 43.771 -7.141 1.00 0.00 H ATOM 193 N VAL A 996 -11.582 41.508 -6.363 1.00 22.56 N ATOM 194 CA VAL A 996 -12.405 40.598 -5.518 1.00 22.40 C ATOM 195 C VAL A 996 -13.410 41.428 -4.691 1.00 21.31 C ATOM 196 O VAL A 996 -14.646 41.148 -4.701 1.00 22.17 O ATOM 197 CB VAL A 996 -11.547 39.710 -4.610 1.00 23.21 C ATOM 198 CG1 VAL A 996 -12.415 38.854 -3.682 1.00 24.50 C ATOM 199 CG2 VAL A 996 -10.601 38.860 -5.447 1.00 26.20 C ATOM 200 H VAL A 996 -10.546 41.488 -6.269 1.00 0.00 H ATOM 201 N THR A 997 -12.948 42.499 -4.064 1.00 21.27 N ATOM 202 CA THR A 997 -13.798 43.290 -3.137 1.00 22.39 C ATOM 203 C THR A 997 -14.941 43.954 -3.924 1.00 23.04 C ATOM 204 O THR A 997 -16.060 44.008 -3.403 1.00 24.21 O ATOM 205 CB THR A 997 -12.964 44.306 -2.361 1.00 23.97 C ATOM 206 OG1 THR A 997 -11.835 43.653 -1.774 1.00 24.62 O ATOM 207 CG2 THR A 997 -13.768 45.013 -1.293 1.00 27.11 C ATOM 208 HG1 THR A 997 -11.281 43.249 -2.488 1.00 0.00 H ATOM 209 H THR A 997 -11.964 42.794 -4.225 1.00 0.00 H ATOM 210 N HIS A 998 -14.645 44.513 -5.098 1.00 23.83 N ATOM 211 CA HIS A 998 -15.641 45.114 -6.022 1.00 25.44 C ATOM 212 C HIS A 998 -16.731 44.092 -6.353 1.00 25.01 C ATOM 213 O HIS A 998 -17.925 44.415 -6.299 1.00 24.72 O ATOM 214 CB HIS A 998 -14.962 45.654 -7.284 1.00 28.00 C ATOM 215 CG HIS A 998 -15.936 46.276 -8.220 1.00 32.62 C ATOM 216 ND1 HIS A 998 -16.600 47.447 -7.903 1.00 34.74 N ATOM 217 CD2 HIS A 998 -16.432 45.870 -9.411 1.00 34.99 C ATOM 218 CE1 HIS A 998 -17.440 47.755 -8.873 1.00 37.64 C ATOM 219 NE2 HIS A 998 -17.344 46.816 -9.824 1.00 37.39 N ATOM 220 H HIS A 998 -13.646 44.529 -5.387 1.00 0.00 H ATOM 221 N ARG A 999 -16.340 42.856 -6.679 1.00 24.29 N ATOM 222 CA ARG A 999 -17.329 41.819 -7.050 1.00 25.09 C ATOM 223 C ARG A 999 -18.219 41.472 -5.853 1.00 26.06 C ATOM 224 O ARG A 999 -19.425 41.221 -6.082 1.00 28.22 O ATOM 225 CB ARG A 999 -16.612 40.613 -7.640 1.00 26.23 C ATOM 226 CG ARG A 999 -16.074 40.933 -9.027 1.00 27.97 C ATOM 227 CD ARG A 999 -14.841 40.110 -9.354 1.00 28.41 C ATOM 228 NE ARG A 999 -15.194 38.712 -9.489 1.00 29.03 N ATOM 229 CZ ARG A 999 -14.282 37.763 -9.654 1.00 27.19 C ATOM 230 NH1 ARG A 999 -12.997 38.090 -9.706 1.00 29.56 N ATOM 231 NH2 ARG A 999 -14.679 36.512 -9.795 1.00 28.73 N ATOM 232 HE ARG A 999 -16.198 38.443 -9.455 1.00 0.00 H ATOM 233 HH12 ARG A 999 -12.277 37.351 -9.835 1.00 0.00 H ATOM 234 HH11 ARG A 999 -12.710 39.086 -9.618 1.00 0.00 H ATOM 235 HH22 ARG A 999 -13.977 35.755 -9.925 1.00 0.00 H ATOM 236 HH21 ARG A 999 -15.693 36.283 -9.776 1.00 0.00 H ATOM 237 H ARG A 999 -15.327 42.620 -6.672 1.00 0.00 H ATOM 238 N LEU A1000 -17.682 41.469 -4.633 1.00 23.85 N ATOM 239 CA LEU A1000 -18.512 41.235 -3.429 1.00 24.73 C ATOM 240 C LEU A1000 -19.438 42.442 -3.210 1.00 25.98 C ATOM 241 O LEU A1000 -20.646 42.253 -2.938 1.00 25.90 O ATOM 242 CB LEU A1000 -17.607 41.014 -2.224 1.00 25.33 C ATOM 243 CG LEU A1000 -16.669 39.822 -2.286 1.00 25.04 C ATOM 244 CD1 LEU A1000 -15.753 39.847 -1.070 1.00 26.35 C ATOM 245 CD2 LEU A1000 -17.430 38.514 -2.377 1.00 25.59 C ATOM 246 H LEU A1000 -16.661 41.634 -4.525 1.00 0.00 H ATOM 247 N ALA A1001 -18.915 43.647 -3.388 1.00 25.12 N ATOM 248 CA ALA A1001 -19.638 44.897 -3.033 1.00 26.93 C ATOM 249 C ALA A1001 -20.831 45.144 -3.963 1.00 31.05 C ATOM 250 O ALA A1001 -21.790 45.813 -3.515 1.00 31.69 O ATOM 251 CB ALA A1001 -18.686 46.067 -3.061 1.00 26.98 C ATOM 252 H ALA A1001 -17.960 43.721 -3.793 1.00 0.00 H ATOM 253 N ILE A1002 -20.794 44.666 -5.199 1.00 30.50 N ATOM 254 CA ILE A1002 -21.885 44.915 -6.186 1.00 32.35 C ATOM 255 C ILE A1002 -22.947 43.808 -6.077 1.00 35.58 C ATOM 256 O ILE A1002 -23.997 43.946 -6.724 1.00 36.92 O ATOM 257 CB ILE A1002 -21.355 45.060 -7.629 1.00 33.98 C ATOM 258 CG1 ILE A1002 -20.809 43.743 -8.192 1.00 33.81 C ATOM 259 CG2 ILE A1002 -20.354 46.201 -7.723 1.00 34.30 C ATOM 260 CD1 ILE A1002 -20.283 43.834 -9.612 1.00 38.84 C ATOM 261 H ILE A1002 -19.974 44.097 -5.491 1.00 0.00 H ATOM 262 N ASP A1003 -22.703 42.742 -5.311 1.00 32.11 N ATOM 263 CA ASP A1003 -23.693 41.647 -5.108 1.00 30.84 C ATOM 264 C ASP A1003 -24.789 42.148 -4.159 1.00 30.71 C ATOM 265 O ASP A1003 -24.502 42.525 -3.006 1.00 28.24 O ATOM 266 CB ASP A1003 -23.006 40.390 -4.577 1.00 32.38 C ATOM 267 CG ASP A1003 -23.848 39.128 -4.595 1.00 35.26 C ATOM 268 OD1 ASP A1003 -24.994 39.196 -4.130 1.00 33.65 O ATOM 269 OD2 ASP A1003 -23.320 38.077 -5.066 1.00 36.74 O ATOM 270 H ASP A1003 -21.781 42.673 -4.835 1.00 0.00 H ATOM 271 N LYS A1004 -26.052 42.160 -4.598 1.00 32.78 N ATOM 272 CA LYS A1004 -27.132 42.782 -3.793 1.00 35.20 C ATOM 273 C LYS A1004 -27.262 42.116 -2.418 1.00 33.40 C ATOM 274 O LYS A1004 -27.718 42.801 -1.484 1.00 32.08 O ATOM 275 CB LYS A1004 -28.471 42.689 -4.531 1.00 42.20 C ATOM 276 CG LYS A1004 -28.569 43.588 -5.753 1.00 51.90 C ATOM 277 CD LYS A1004 -29.927 43.548 -6.419 1.00 59.27 C ATOM 278 CE LYS A1004 -29.990 44.408 -7.663 1.00 64.90 C ATOM 279 NZ LYS A1004 -31.190 44.094 -8.474 1.00 72.47 N ATOM 280 HZ1 LYS A1004 -31.160 43.095 -8.762 1.00 0.00 H ATOM 281 HZ2 LYS A1004 -32.045 44.267 -7.908 1.00 0.00 H ATOM 282 HZ3 LYS A1004 -31.204 44.700 -9.319 1.00 0.00 H ATOM 283 H LYS A1004 -26.280 41.728 -5.516 1.00 0.00 H ATOM 284 N ARG A1005 -26.919 40.828 -2.302 1.00 31.74 N ATOM 285 CA ARG A1005 -26.986 40.087 -1.015 1.00 30.83 C ATOM 286 C ARG A1005 -26.112 40.759 0.037 1.00 30.36 C ATOM 287 O ARG A1005 -26.428 40.646 1.231 1.00 30.55 O ATOM 288 CB ARG A1005 -26.512 38.641 -1.155 1.00 32.35 C ATOM 289 CG ARG A1005 -27.447 37.730 -1.929 1.00 36.67 C ATOM 290 CD ARG A1005 -26.786 36.375 -2.079 1.00 35.69 C ATOM 291 NE ARG A1005 -25.610 36.421 -2.907 1.00 35.51 N ATOM 292 CZ ARG A1005 -24.771 35.403 -3.070 1.00 37.40 C ATOM 293 NH1 ARG A1005 -25.024 34.249 -2.477 1.00 39.30 N ATOM 294 NH2 ARG A1005 -23.714 35.526 -3.850 1.00 36.45 N ATOM 295 HE ARG A1005 -25.403 37.307 -3.410 1.00 0.00 H ATOM 296 HH12 ARG A1005 -24.373 33.448 -2.599 1.00 0.00 H ATOM 297 HH11 ARG A1005 -25.874 34.142 -1.888 1.00 0.00 H ATOM 298 HH22 ARG A1005 -23.062 34.725 -3.973 1.00 0.00 H ATOM 299 HH21 ARG A1005 -23.533 36.424 -4.342 1.00 0.00 H ATOM 300 H ARG A1005 -26.591 40.323 -3.150 1.00 0.00 H ATOM 301 N PHE A1006 -25.016 41.398 -0.385 1.00 27.67 N ATOM 302 CA PHE A1006 -23.973 41.891 0.534 1.00 27.97 C ATOM 303 C PHE A1006 -24.060 43.412 0.740 1.00 30.81 C ATOM 304 O PHE A1006 -23.169 43.984 1.401 1.00 27.73 O ATOM 305 CB PHE A1006 -22.608 41.430 0.027 1.00 26.44 C ATOM 306 CG PHE A1006 -22.505 39.964 -0.289 1.00 26.73 C ATOM 307 CD1 PHE A1006 -23.183 39.022 0.473 1.00 27.75 C ATOM 308 CD2 PHE A1006 -21.732 39.524 -1.350 1.00 27.44 C ATOM 309 CE1 PHE A1006 -23.085 37.679 0.161 1.00 28.21 C ATOM 310 CE2 PHE A1006 -21.621 38.178 -1.647 1.00 28.38 C ATOM 311 CZ PHE A1006 -22.313 37.259 -0.895 1.00 27.95 C ATOM 312 H PHE A1006 -24.894 41.554 -1.406 1.00 0.00 H ATOM 313 N ARG A1007 -25.145 44.052 0.310 1.00 31.75 N ATOM 314 CA ARG A1007 -25.285 45.531 0.412 1.00 35.51 C ATOM 315 C ARG A1007 -25.039 45.982 1.853 1.00 33.78 C ATOM 316 O ARG A1007 -24.361 47.021 2.056 1.00 34.93 O ATOM 317 CB ARG A1007 -26.666 45.961 -0.090 1.00 39.48 C ATOM 318 CG ARG A1007 -26.798 47.460 -0.309 1.00 46.37 C ATOM 319 CD ARG A1007 -28.235 47.938 -0.357 1.00 55.20 C ATOM 320 NE ARG A1007 -29.024 47.308 0.695 1.00 64.91 N ATOM 321 CZ ARG A1007 -28.923 47.561 2.006 1.00 72.00 C ATOM 322 NH1 ARG A1007 -28.070 48.462 2.469 1.00 76.67 N ATOM 323 NH2 ARG A1007 -29.689 46.900 2.858 1.00 72.27 N ATOM 324 HE ARG A1007 -29.727 46.600 0.401 1.00 0.00 H ATOM 325 HH12 ARG A1007 -28.008 48.642 3.491 1.00 0.00 H ATOM 326 HH11 ARG A1007 -27.462 48.989 1.810 1.00 0.00 H ATOM 327 HH22 ARG A1007 -29.617 47.090 3.878 1.00 0.00 H ATOM 328 HH21 ARG A1007 -30.363 46.190 2.508 1.00 0.00 H ATOM 329 H ARG A1007 -25.920 43.501 -0.111 1.00 0.00 H ATOM 330 N VAL A1008 -25.568 45.235 2.821 1.00 34.53 N ATOM 331 CA VAL A1008 -25.514 45.577 4.263 1.00 36.05 C ATOM 332 C VAL A1008 -24.057 45.657 4.743 1.00 34.34 C ATOM 333 O VAL A1008 -23.773 46.437 5.693 1.00 35.07 O ATOM 334 CB VAL A1008 -26.341 44.593 5.105 1.00 40.94 C ATOM 335 CG1 VAL A1008 -25.808 43.169 5.037 1.00 41.90 C ATOM 336 CG2 VAL A1008 -26.457 45.076 6.534 1.00 46.72 C ATOM 337 H VAL A1008 -26.050 44.355 2.548 1.00 0.00 H ATOM 338 N PHE A1009 -23.157 44.914 4.114 1.00 30.73 N ATOM 339 CA PHE A1009 -21.723 44.898 4.501 1.00 30.61 C ATOM 340 C PHE A1009 -20.893 45.935 3.738 1.00 29.87 C ATOM 341 O PHE A1009 -19.670 45.900 3.940 1.00 30.50 O ATOM 342 CB PHE A1009 -21.159 43.493 4.287 1.00 29.78 C ATOM 343 CG PHE A1009 -21.990 42.406 4.931 1.00 29.00 C ATOM 344 CD1 PHE A1009 -22.221 42.403 6.296 1.00 30.47 C ATOM 345 CD2 PHE A1009 -22.507 41.362 4.183 1.00 31.37 C ATOM 346 CE1 PHE A1009 -23.014 41.426 6.884 1.00 32.90 C ATOM 347 CE2 PHE A1009 -23.272 40.363 4.774 1.00 33.05 C ATOM 348 CZ PHE A1009 -23.529 40.398 6.126 1.00 33.30 C ATOM 349 H PHE A1009 -23.467 44.319 3.319 1.00 0.00 H ATOM 350 N THR A1010 -21.482 46.815 2.920 1.00 31.61 N ATOM 351 CA THR A1010 -20.722 47.715 2.008 1.00 32.20 C ATOM 352 C THR A1010 -20.297 49.004 2.712 1.00 37.70 C ATOM 353 O THR A1010 -19.352 49.641 2.229 1.00 38.56 O ATOM 354 CB THR A1010 -21.498 48.069 0.738 1.00 33.16 C ATOM 355 OG1 THR A1010 -22.766 48.629 1.079 1.00 35.18 O ATOM 356 CG2 THR A1010 -21.678 46.855 -0.148 1.00 34.22 C ATOM 357 HG1 THR A1010 -23.285 47.971 1.605 1.00 0.00 H ATOM 358 H THR A1010 -22.520 46.873 2.921 1.00 0.00 H ATOM 359 N LYS A1011 -20.981 49.364 3.790 1.00 38.18 N ATOM 360 CA LYS A1011 -20.791 50.657 4.489 1.00 44.05 C ATOM 361 C LYS A1011 -20.665 50.379 5.976 1.00 43.21 C ATOM 362 O LYS A1011 -21.219 49.404 6.467 1.00 40.75 O ATOM 363 CB LYS A1011 -21.976 51.578 4.190 1.00 50.26 C ATOM 364 CG LYS A1011 -21.868 52.319 2.864 1.00 57.84 C ATOM 365 CD LYS A1011 -23.212 52.656 2.240 1.00 65.16 C ATOM 366 CE LYS A1011 -23.958 53.766 2.951 1.00 70.69 C ATOM 367 NZ LYS A1011 -25.171 54.174 2.201 1.00 75.53 N ATOM 368 HZ1 LYS A1011 -24.896 54.514 1.257 1.00 0.00 H ATOM 369 HZ2 LYS A1011 -25.808 53.358 2.105 1.00 0.00 H ATOM 370 HZ3 LYS A1011 -25.656 54.935 2.717 1.00 0.00 H ATOM 371 H LYS A1011 -21.690 48.702 4.166 1.00 0.00 H ATOM 372 N PRO A1012 -19.926 51.222 6.729 1.00 46.65 N ATOM 373 CA PRO A1012 -19.862 51.076 8.178 1.00 48.82 C ATOM 374 C PRO A1012 -21.262 51.300 8.772 1.00 49.75 C ATOM 375 O PRO A1012 -22.116 51.857 8.111 1.00 47.65 O ATOM 376 CB PRO A1012 -18.804 52.105 8.631 1.00 50.65 C ATOM 377 CG PRO A1012 -18.648 53.063 7.470 1.00 50.06 C ATOM 378 CD PRO A1012 -19.080 52.314 6.225 1.00 47.99 C ATOM 379 N VAL A1013 -21.491 50.769 9.968 1.00 53.24 N ATOM 380 CA VAL A1013 -22.778 50.919 10.709 1.00 57.27 C ATOM 381 C VAL A1013 -22.921 52.404 11.077 1.00 62.69 C ATOM 382 O VAL A1013 -21.958 52.975 11.624 1.00 65.82 O ATOM 383 CB VAL A1013 -22.829 49.985 11.935 1.00 57.03 C ATOM 384 CG1 VAL A1013 -24.013 50.291 12.842 1.00 57.28 C ATOM 385 CG2 VAL A1013 -22.853 48.522 11.519 1.00 55.70 C ATOM 386 H VAL A1013 -20.730 50.217 10.413 1.00 0.00 H ATOM 387 N ASP A1014 -24.048 53.019 10.713 1.00 65.90 N ATOM 388 CA ASP A1014 -24.371 54.431 11.050 1.00 75.19 C ATOM 389 C ASP A1014 -24.705 54.484 12.543 1.00 77.45 C ATOM 390 O ASP A1014 -25.684 53.873 12.975 1.00 74.95 O ATOM 391 CB ASP A1014 -25.498 54.946 10.147 1.00 78.32 C ATOM 392 CG ASP A1014 -25.921 56.384 10.405 1.00 83.29 C ATOM 393 OD1 ASP A1014 -25.058 57.196 10.793 1.00 81.82 O ATOM 394 OD2 ASP A1014 -27.116 56.679 10.211 1.00 86.95 O ATOM 395 H ASP A1014 -24.743 52.478 10.160 1.00 0.00 H ATOM 396 N PRO A1015 -23.900 55.178 13.386 1.00 81.18 N ATOM 397 CA PRO A1015 -24.124 55.174 14.835 1.00 85.61 C ATOM 398 C PRO A1015 -25.483 55.764 15.251 1.00 88.38 C ATOM 399 O PRO A1015 -26.004 55.353 16.274 1.00 88.90 O ATOM 400 CB PRO A1015 -22.956 56.002 15.399 1.00 85.13 C ATOM 401 CG PRO A1015 -22.492 56.849 14.232 1.00 83.81 C ATOM 402 CD PRO A1015 -22.746 56.005 13.000 1.00 80.76 C ATOM 403 N ASP A1016 -26.032 56.679 14.444 1.00 91.31 N ATOM 404 CA ASP A1016 -27.352 57.328 14.674 1.00 94.02 C ATOM 405 C ASP A1016 -28.477 56.307 14.458 1.00 92.49 C ATOM 406 O ASP A1016 -29.566 56.507 15.023 1.00 95.26 O ATOM 407 CB ASP A1016 -27.535 58.553 13.775 1.00 97.86 C ATOM 408 CG ASP A1016 -26.505 59.648 14.008 1.00101.09 C ATOM 409 OD1 ASP A1016 -25.881 59.658 15.092 1.00 97.60 O ATOM 410 OD2 ASP A1016 -26.330 60.481 13.100 1.00107.71 O ATOM 411 H ASP A1016 -25.499 56.957 13.595 1.00 0.00 H ATOM 412 N GLU A1017 -28.226 55.263 13.666 1.00 87.51 N ATOM 413 CA GLU A1017 -29.172 54.134 13.455 1.00 88.19 C ATOM 414 C GLU A1017 -28.948 53.071 14.536 1.00 82.83 C ATOM 415 O GLU A1017 -29.951 52.535 15.045 1.00 80.39 O ATOM 416 CB GLU A1017 -28.985 53.526 12.063 1.00 92.85 C ATOM 417 CG GLU A1017 -29.391 54.451 10.930 1.00 96.67 C ATOM 418 CD GLU A1017 -30.862 54.387 10.563 1.00100.63 C ATOM 419 OE1 GLU A1017 -31.701 54.775 11.403 1.00100.59 O ATOM 420 OE2 GLU A1017 -31.165 53.939 9.439 1.00105.57 O ATOM 421 H GLU A1017 -27.314 55.237 13.166 1.00 0.00 H ATOM 422 N VAL A1018 -27.682 52.763 14.848 1.00 79.16 N ATOM 423 CA VAL A1018 -27.288 51.667 15.785 1.00 74.15 C ATOM 424 C VAL A1018 -26.253 52.210 16.763 1.00 71.39 C ATOM 425 O VAL A1018 -25.051 52.160 16.501 1.00 66.74 O ATOM 426 CB VAL A1018 -26.759 50.427 15.037 1.00 72.65 C ATOM 427 CG1 VAL A1018 -26.651 49.224 15.961 1.00 71.62 C ATOM 428 CG2 VAL A1018 -27.612 50.082 13.824 1.00 72.95 C ATOM 429 H VAL A1018 -26.923 53.323 14.409 1.00 0.00 H ATOM 430 N PRO A1019 -26.692 52.720 17.936 1.00 73.56 N ATOM 431 CA PRO A1019 -25.778 53.355 18.886 1.00 71.55 C ATOM 432 C PRO A1019 -24.924 52.349 19.673 1.00 64.76 C ATOM 433 O PRO A1019 -23.811 52.685 20.005 1.00 64.72 O ATOM 434 CB PRO A1019 -26.735 54.119 19.816 1.00 74.98 C ATOM 435 CG PRO A1019 -27.998 53.278 19.819 1.00 76.01 C ATOM 436 CD PRO A1019 -28.082 52.683 18.426 1.00 74.87 C ATOM 437 N ASP A1020 -25.445 51.146 19.941 1.00 65.89 N ATOM 438 CA ASP A1020 -24.735 50.127 20.764 1.00 70.64 C ATOM 439 C ASP A1020 -23.768 49.297 19.899 1.00 65.95 C ATOM 440 O ASP A1020 -23.074 48.436 20.481 1.00 63.13 O ATOM 441 CB ASP A1020 -25.714 49.231 21.532 1.00 75.91 C ATOM 442 CG ASP A1020 -26.589 48.343 20.665 1.00 81.20 C ATOM 443 OD1 ASP A1020 -27.489 48.888 19.989 1.00 90.83 O ATOM 444 OD2 ASP A1020 -26.373 47.110 20.683 1.00 79.61 O ATOM 445 H ASP A1020 -26.384 50.913 19.559 1.00 0.00 H ATOM 446 N TYR A1021 -23.686 49.530 18.582 1.00 59.89 N ATOM 447 CA TYR A1021 -22.822 48.699 17.698 1.00 56.53 C ATOM 448 C TYR A1021 -21.371 48.807 18.173 1.00 58.74 C ATOM 449 O TYR A1021 -20.783 47.758 18.516 1.00 57.46 O ATOM 450 CB TYR A1021 -22.918 49.069 16.214 1.00 55.59 C ATOM 451 CG TYR A1021 -22.315 48.009 15.322 1.00 48.79 C ATOM 452 CD1 TYR A1021 -22.994 46.824 15.092 1.00 46.51 C ATOM 453 CD2 TYR A1021 -21.051 48.146 14.773 1.00 49.19 C ATOM 454 CE1 TYR A1021 -22.456 45.816 14.313 1.00 45.34 C ATOM 455 CE2 TYR A1021 -20.500 47.151 13.975 1.00 43.59 C ATOM 456 CZ TYR A1021 -21.205 45.979 13.749 1.00 43.70 C ATOM 457 OH TYR A1021 -20.695 44.959 12.993 1.00 39.50 O ATOM 458 HH TYR A1021 -21.351 44.218 12.955 1.00 0.00 H ATOM 459 H TYR A1021 -24.238 50.308 18.168 1.00 0.00 H ATOM 460 N VAL A1022 -20.832 50.030 18.203 1.00 62.15 N ATOM 461 CA VAL A1022 -19.392 50.313 18.497 1.00 67.46 C ATOM 462 C VAL A1022 -19.043 49.833 19.915 1.00 67.67 C ATOM 463 O VAL A1022 -17.848 49.552 20.145 1.00 65.37 O ATOM 464 CB VAL A1022 -19.044 51.802 18.284 1.00 73.35 C ATOM 465 CG1 VAL A1022 -17.708 52.186 18.907 1.00 74.99 C ATOM 466 CG2 VAL A1022 -19.048 52.167 16.808 1.00 75.18 C ATOM 467 H VAL A1022 -21.455 50.840 18.009 1.00 0.00 H ATOM 468 N THR A1023 -20.024 49.723 20.822 1.00 67.77 N ATOM 469 CA THR A1023 -19.825 49.187 22.200 1.00 68.91 C ATOM 470 C THR A1023 -19.716 47.655 22.143 1.00 65.06 C ATOM 471 O THR A1023 -18.815 47.118 22.802 1.00 67.37 O ATOM 472 CB THR A1023 -20.890 49.692 23.190 1.00 73.20 C ATOM 473 OG1 THR A1023 -22.157 49.073 22.950 1.00 73.66 O ATOM 474 CG2 THR A1023 -21.051 51.197 23.156 1.00 72.40 C ATOM 475 HG1 THR A1023 -22.456 49.283 22.030 1.00 0.00 H ATOM 476 H THR A1023 -20.980 50.029 20.549 1.00 0.00 H ATOM 477 N VAL A1024 -20.567 46.977 21.365 1.00 59.67 N ATOM 478 CA VAL A1024 -20.617 45.483 21.294 1.00 56.58 C ATOM 479 C VAL A1024 -19.512 44.965 20.357 1.00 54.34 C ATOM 480 O VAL A1024 -18.864 43.940 20.679 1.00 52.59 O ATOM 481 CB VAL A1024 -22.008 44.995 20.846 1.00 58.42 C ATOM 482 CG1 VAL A1024 -22.042 43.487 20.637 1.00 58.54 C ATOM 483 CG2 VAL A1024 -23.097 45.426 21.822 1.00 61.00 C ATOM 484 H VAL A1024 -21.231 47.519 20.776 1.00 0.00 H ATOM 485 N ILE A1025 -19.318 45.610 19.211 1.00 50.37 N ATOM 486 CA ILE A1025 -18.334 45.137 18.193 1.00 44.96 C ATOM 487 C ILE A1025 -17.057 45.968 18.329 1.00 46.29 C ATOM 488 O ILE A1025 -17.067 47.177 18.001 1.00 46.80 O ATOM 489 CB ILE A1025 -18.954 45.154 16.782 1.00 43.10 C ATOM 490 CG1 ILE A1025 -20.185 44.243 16.712 1.00 42.98 C ATOM 491 CG2 ILE A1025 -17.916 44.791 15.730 1.00 42.36 C ATOM 492 CD1 ILE A1025 -19.905 42.770 16.965 1.00 40.63 C ATOM 493 H ILE A1025 -19.869 46.471 19.018 1.00 0.00 H ATOM 494 N LYS A1026 -15.993 45.326 18.809 1.00 47.41 N ATOM 495 CA LYS A1026 -14.714 45.996 19.177 1.00 49.16 C ATOM 496 C LYS A1026 -13.885 46.345 17.936 1.00 48.85 C ATOM 497 O LYS A1026 -13.130 47.334 18.019 1.00 49.70 O ATOM 498 CB LYS A1026 -13.938 45.103 20.146 1.00 53.69 C ATOM 499 CG LYS A1026 -14.663 44.861 21.465 1.00 57.69 C ATOM 500 CD LYS A1026 -15.142 46.144 22.140 1.00 61.65 C ATOM 501 CE LYS A1026 -15.806 45.916 23.482 1.00 64.98 C ATOM 502 NZ LYS A1026 -16.512 47.131 23.963 1.00 66.06 N ATOM 503 HZ1 LYS A1026 -15.830 47.910 24.064 1.00 0.00 H ATOM 504 HZ2 LYS A1026 -17.246 47.398 23.277 1.00 0.00 H ATOM 505 HZ3 LYS A1026 -16.953 46.933 24.884 1.00 0.00 H ATOM 506 H LYS A1026 -16.059 44.296 18.934 1.00 0.00 H ATOM 507 N GLN A1027 -13.988 45.600 16.823 1.00 44.01 N ATOM 508 CA GLN A1027 -13.283 45.964 15.571 1.00 42.03 C ATOM 509 C GLN A1027 -14.271 45.927 14.408 1.00 40.82 C ATOM 510 O GLN A1027 -14.332 44.949 13.673 1.00 38.02 O ATOM 511 CB GLN A1027 -12.070 45.069 15.343 1.00 41.29 C ATOM 512 CG GLN A1027 -11.088 45.720 14.397 1.00 39.32 C ATOM 513 CD GLN A1027 -9.821 44.932 14.189 1.00 39.36 C ATOM 514 OE1 GLN A1027 -8.995 45.327 13.394 1.00 37.18 O ATOM 515 NE2 GLN A1027 -9.668 43.820 14.893 1.00 41.23 N ATOM 516 HE22 GLN A1027 -10.406 43.523 15.563 1.00 0.00 H ATOM 517 HE21 GLN A1027 -8.810 43.244 14.776 1.00 0.00 H ATOM 518 H GLN A1027 -14.579 44.744 16.840 1.00 0.00 H ATOM 519 N PRO A1028 -15.044 47.012 14.206 1.00 40.68 N ATOM 520 CA PRO A1028 -15.959 47.108 13.080 1.00 39.61 C ATOM 521 C PRO A1028 -15.179 46.938 11.771 1.00 35.57 C ATOM 522 O PRO A1028 -14.029 47.368 11.661 1.00 34.94 O ATOM 523 CB PRO A1028 -16.580 48.507 13.200 1.00 41.08 C ATOM 524 CG PRO A1028 -16.337 48.911 14.639 1.00 43.94 C ATOM 525 CD PRO A1028 -15.049 48.228 15.034 1.00 42.63 C ATOM 526 N MET A1029 -15.793 46.242 10.818 1.00 33.87 N ATOM 527 CA MET A1029 -15.184 46.047 9.482 1.00 33.14 C ATOM 528 C MET A1029 -16.323 45.966 8.462 1.00 31.96 C ATOM 529 O MET A1029 -17.408 45.459 8.803 1.00 33.13 O ATOM 530 CB MET A1029 -14.300 44.795 9.471 1.00 33.88 C ATOM 531 CG MET A1029 -13.415 44.633 8.227 1.00 33.47 C ATOM 532 SD MET A1029 -12.392 46.083 7.842 1.00 36.71 S ATOM 533 CE MET A1029 -11.436 46.208 9.355 1.00 40.07 C ATOM 534 H MET A1029 -16.725 45.824 11.016 1.00 0.00 H ATOM 535 N ASP A1030 -16.110 46.575 7.307 1.00 31.59 N ATOM 536 CA ASP A1030 -17.063 46.573 6.177 1.00 33.70 C ATOM 537 C ASP A1030 -16.260 46.667 4.883 1.00 31.48 C ATOM 538 O ASP A1030 -15.042 46.977 4.932 1.00 31.88 O ATOM 539 CB ASP A1030 -18.026 47.756 6.287 1.00 34.27 C ATOM 540 CG ASP A1030 -17.270 49.058 6.135 1.00 40.39 C ATOM 541 OD1 ASP A1030 -16.632 49.489 7.123 1.00 49.21 O ATOM 542 OD2 ASP A1030 -17.245 49.583 5.018 1.00 44.41 O ATOM 543 H ASP A1030 -15.214 47.089 7.186 1.00 0.00 H ATOM 544 N LEU A1031 -16.916 46.426 3.752 1.00 28.96 N ATOM 545 CA LEU A1031 -16.183 46.356 2.468 1.00 29.46 C ATOM 546 C LEU A1031 -15.613 47.721 2.060 1.00 30.24 C ATOM 547 O LEU A1031 -14.575 47.730 1.385 1.00 28.74 O ATOM 548 CB LEU A1031 -17.077 45.754 1.398 1.00 28.49 C ATOM 549 CG LEU A1031 -17.504 44.312 1.684 1.00 28.27 C ATOM 550 CD1 LEU A1031 -18.548 43.855 0.670 1.00 30.39 C ATOM 551 CD2 LEU A1031 -16.306 43.381 1.674 1.00 28.21 C ATOM 552 H LEU A1031 -17.946 46.286 3.769 1.00 0.00 H ATOM 553 N SER A1032 -16.205 48.845 2.464 1.00 32.17 N ATOM 554 CA SER A1032 -15.616 50.173 2.142 1.00 34.00 C ATOM 555 C SER A1032 -14.303 50.341 2.910 1.00 33.15 C ATOM 556 O SER A1032 -13.348 50.882 2.344 1.00 33.51 O ATOM 557 CB SER A1032 -16.577 51.307 2.420 1.00 36.56 C ATOM 558 OG SER A1032 -16.900 51.383 3.799 1.00 38.46 O ATOM 559 HG SER A1032 -17.322 50.535 4.085 1.00 0.00 H ATOM 560 H SER A1032 -17.088 48.793 3.010 1.00 0.00 H ATOM 561 N SER A1033 -14.244 49.857 4.147 1.00 32.76 N ATOM 562 CA SER A1033 -13.032 49.945 4.992 1.00 34.40 C ATOM 563 C SER A1033 -11.951 49.044 4.402 1.00 30.06 C ATOM 564 O SER A1033 -10.774 49.432 4.395 1.00 30.28 O ATOM 565 CB SER A1033 -13.349 49.591 6.419 1.00 37.55 C ATOM 566 OG SER A1033 -14.232 50.559 6.972 1.00 41.10 O ATOM 567 HG SER A1033 -15.070 50.578 6.445 1.00 0.00 H ATOM 568 H SER A1033 -15.089 49.395 4.539 1.00 0.00 H ATOM 569 N VAL A1034 -12.347 47.881 3.875 1.00 26.95 N ATOM 570 CA VAL A1034 -11.381 46.960 3.212 1.00 27.18 C ATOM 571 C VAL A1034 -10.752 47.671 2.022 1.00 26.20 C ATOM 572 O VAL A1034 -9.521 47.566 1.877 1.00 26.40 O ATOM 573 CB VAL A1034 -12.059 45.642 2.820 1.00 27.39 C ATOM 574 CG1 VAL A1034 -11.198 44.798 1.900 1.00 27.56 C ATOM 575 CG2 VAL A1034 -12.464 44.868 4.060 1.00 27.69 C ATOM 576 H VAL A1034 -13.351 47.613 3.929 1.00 0.00 H ATOM 577 N ILE A1035 -11.547 48.359 1.198 1.00 26.80 N ATOM 578 CA ILE A1035 -10.999 49.125 0.039 1.00 28.54 C ATOM 579 C ILE A1035 -9.997 50.173 0.543 1.00 27.94 C ATOM 580 O ILE A1035 -8.888 50.264 -0.016 1.00 27.61 O ATOM 581 CB ILE A1035 -12.107 49.766 -0.803 1.00 31.23 C ATOM 582 CG1 ILE A1035 -12.944 48.689 -1.498 1.00 35.43 C ATOM 583 CG2 ILE A1035 -11.521 50.755 -1.797 1.00 34.55 C ATOM 584 CD1 ILE A1035 -12.158 47.891 -2.497 1.00 36.95 C ATOM 585 H ILE A1035 -12.573 48.361 1.368 1.00 0.00 H ATOM 586 N SER A1036 -10.375 50.938 1.555 1.00 30.42 N ATOM 587 CA SER A1036 -9.480 51.962 2.155 1.00 31.10 C ATOM 588 C SER A1036 -8.167 51.298 2.583 1.00 29.50 C ATOM 589 O SER A1036 -7.082 51.822 2.271 1.00 30.29 O ATOM 590 CB SER A1036 -10.154 52.664 3.286 1.00 36.18 C ATOM 591 OG SER A1036 -11.229 53.443 2.790 1.00 40.04 O ATOM 592 HG SER A1036 -11.674 53.907 3.543 1.00 0.00 H ATOM 593 H SER A1036 -11.332 50.818 1.944 1.00 0.00 H ATOM 594 N LYS A1037 -8.239 50.150 3.249 1.00 28.91 N ATOM 595 CA LYS A1037 -7.030 49.440 3.730 1.00 28.32 C ATOM 596 C LYS A1037 -6.164 48.925 2.566 1.00 27.61 C ATOM 597 O LYS A1037 -4.934 48.998 2.662 1.00 28.85 O ATOM 598 CB LYS A1037 -7.437 48.329 4.688 1.00 28.64 C ATOM 599 CG LYS A1037 -7.927 48.831 6.040 1.00 32.03 C ATOM 600 CD LYS A1037 -8.238 47.708 7.007 1.00 31.67 C ATOM 601 CE LYS A1037 -6.988 46.932 7.384 1.00 35.91 C ATOM 602 NZ LYS A1037 -7.211 46.075 8.569 1.00 37.38 N ATOM 603 HZ1 LYS A1037 -7.484 46.669 9.378 1.00 0.00 H ATOM 604 HZ2 LYS A1037 -7.970 45.394 8.365 1.00 0.00 H ATOM 605 HZ3 LYS A1037 -6.335 45.562 8.794 1.00 0.00 H ATOM 606 H LYS A1037 -9.174 49.736 3.439 1.00 0.00 H ATOM 607 N ILE A1038 -6.765 48.389 1.502 1.00 27.88 N ATOM 608 CA ILE A1038 -5.965 48.021 0.304 1.00 26.85 C ATOM 609 C ILE A1038 -5.135 49.236 -0.130 1.00 27.36 C ATOM 610 O ILE A1038 -3.911 49.095 -0.338 1.00 27.61 O ATOM 611 CB ILE A1038 -6.860 47.498 -0.831 1.00 26.52 C ATOM 612 CG1 ILE A1038 -7.568 46.205 -0.430 1.00 26.24 C ATOM 613 CG2 ILE A1038 -6.025 47.340 -2.089 1.00 27.20 C ATOM 614 CD1 ILE A1038 -8.713 45.808 -1.366 1.00 26.58 C ATOM 615 H ILE A1038 -7.793 48.229 1.511 1.00 0.00 H ATOM 616 N ASP A1039 -5.788 50.382 -0.298 1.00 27.70 N ATOM 617 CA ASP A1039 -5.195 51.630 -0.836 1.00 30.98 C ATOM 618 C ASP A1039 -4.134 52.153 0.141 1.00 33.59 C ATOM 619 O ASP A1039 -3.201 52.804 -0.325 1.00 33.06 O ATOM 620 CB ASP A1039 -6.289 52.654 -1.162 1.00 33.40 C ATOM 621 CG ASP A1039 -7.194 52.237 -2.317 1.00 37.11 C ATOM 622 OD1 ASP A1039 -6.852 51.238 -3.002 1.00 35.83 O ATOM 623 OD2 ASP A1039 -8.249 52.909 -2.532 1.00 36.16 O ATOM 624 H ASP A1039 -6.793 50.405 -0.031 1.00 0.00 H ATOM 625 N LEU A1040 -4.241 51.837 1.435 1.00 31.89 N ATOM 626 CA LEU A1040 -3.217 52.235 2.450 1.00 32.07 C ATOM 627 C LEU A1040 -2.100 51.193 2.550 1.00 32.36 C ATOM 628 O LEU A1040 -1.222 51.361 3.413 1.00 34.33 O ATOM 629 CB LEU A1040 -3.912 52.429 3.798 1.00 32.16 C ATOM 630 CG LEU A1040 -4.793 53.675 3.911 1.00 33.76 C ATOM 631 CD1 LEU A1040 -5.666 53.611 5.150 1.00 35.74 C ATOM 632 CD2 LEU A1040 -3.959 54.944 3.913 1.00 36.39 C ATOM 633 H LEU A1040 -5.070 51.292 1.749 1.00 0.00 H ATOM 634 N HIS A1041 -2.073 50.195 1.677 1.00 31.08 N ATOM 635 CA HIS A1041 -1.030 49.138 1.618 1.00 31.71 C ATOM 636 C HIS A1041 -0.988 48.347 2.932 1.00 33.84 C ATOM 637 O HIS A1041 0.106 47.916 3.340 1.00 34.42 O ATOM 638 CB HIS A1041 0.348 49.753 1.305 1.00 33.31 C ATOM 639 CG HIS A1041 0.421 50.487 0.011 1.00 34.65 C ATOM 640 ND1 HIS A1041 1.631 50.825 -0.563 1.00 37.61 N ATOM 641 CD2 HIS A1041 -0.534 50.900 -0.850 1.00 35.68 C ATOM 642 CE1 HIS A1041 1.410 51.441 -1.709 1.00 38.43 C ATOM 643 NE2 HIS A1041 0.098 51.516 -1.902 1.00 39.60 N ATOM 644 H HIS A1041 -2.842 50.148 0.979 1.00 0.00 H ATOM 645 N LYS A1042 -2.136 48.112 3.542 1.00 31.77 N ATOM 646 CA LYS A1042 -2.246 47.388 4.828 1.00 33.48 C ATOM 647 C LYS A1042 -2.238 45.875 4.609 1.00 33.55 C ATOM 648 O LYS A1042 -2.066 45.172 5.601 1.00 36.74 O ATOM 649 CB LYS A1042 -3.530 47.787 5.545 1.00 35.78 C ATOM 650 CG LYS A1042 -3.628 49.265 5.881 1.00 42.07 C ATOM 651 CD LYS A1042 -2.804 49.655 7.067 1.00 48.17 C ATOM 652 CE LYS A1042 -3.324 50.914 7.733 1.00 54.49 C ATOM 653 NZ LYS A1042 -2.628 51.162 9.015 1.00 60.27 N ATOM 654 HZ1 LYS A1042 -2.784 50.357 9.654 1.00 0.00 H ATOM 655 HZ2 LYS A1042 -1.609 51.274 8.839 1.00 0.00 H ATOM 656 HZ3 LYS A1042 -3.003 52.029 9.450 1.00 0.00 H ATOM 657 H LYS A1042 -3.010 48.454 3.094 1.00 0.00 H ATOM 658 N TYR A1043 -2.518 45.384 3.397 1.00 31.22 N ATOM 659 CA TYR A1043 -2.521 43.935 3.086 1.00 30.06 C ATOM 660 C TYR A1043 -1.292 43.602 2.242 1.00 32.55 C ATOM 661 O TYR A1043 -1.180 44.112 1.122 1.00 34.42 O ATOM 662 CB TYR A1043 -3.790 43.521 2.350 1.00 29.71 C ATOM 663 CG TYR A1043 -5.079 43.859 3.048 1.00 29.16 C ATOM 664 CD1 TYR A1043 -5.376 43.373 4.310 1.00 31.40 C ATOM 665 CD2 TYR A1043 -6.013 44.682 2.451 1.00 28.28 C ATOM 666 CE1 TYR A1043 -6.563 43.692 4.949 1.00 31.72 C ATOM 667 CE2 TYR A1043 -7.208 44.999 3.068 1.00 28.16 C ATOM 668 CZ TYR A1043 -7.506 44.493 4.318 1.00 30.51 C ATOM 669 OH TYR A1043 -8.693 44.830 4.931 1.00 28.98 O ATOM 670 HH TYR A1043 -8.746 44.384 5.813 1.00 0.00 H ATOM 671 H TYR A1043 -2.745 46.053 2.634 1.00 0.00 H ATOM 672 N LEU A1044 -0.398 42.791 2.794 1.00 30.51 N ATOM 673 CA LEU A1044 0.803 42.297 2.071 1.00 33.63 C ATOM 674 C LEU A1044 0.600 40.837 1.680 1.00 30.64 C ATOM 675 O LEU A1044 1.439 40.326 0.956 1.00 29.45 O ATOM 676 CB LEU A1044 2.049 42.451 2.952 1.00 38.02 C ATOM 677 CG LEU A1044 2.395 43.870 3.417 1.00 43.45 C ATOM 678 CD1 LEU A1044 3.828 43.899 3.951 1.00 44.78 C ATOM 679 CD2 LEU A1044 2.255 44.884 2.291 1.00 42.59 C ATOM 680 H LEU A1044 -0.545 42.487 3.778 1.00 0.00 H ATOM 681 N THR A1045 -0.473 40.187 2.120 1.00 29.21 N ATOM 682 CA THR A1045 -0.803 38.808 1.685 1.00 28.60 C ATOM 683 C THR A1045 -2.313 38.648 1.538 1.00 28.74 C ATOM 684 O THR A1045 -3.063 39.432 2.148 1.00 28.32 O ATOM 685 CB THR A1045 -0.308 37.755 2.675 1.00 30.55 C ATOM 686 OG1 THR A1045 -1.075 37.858 3.868 1.00 31.77 O ATOM 687 CG2 THR A1045 1.171 37.895 2.983 1.00 32.84 C ATOM 688 HG1 THR A1045 -0.764 37.180 4.519 1.00 0.00 H ATOM 689 H THR A1045 -1.105 40.663 2.795 1.00 0.00 H ATOM 690 N VAL A1046 -2.746 37.655 0.778 1.00 28.09 N ATOM 691 CA VAL A1046 -4.210 37.372 0.683 1.00 27.55 C ATOM 692 C VAL A1046 -4.691 36.842 2.041 1.00 28.90 C ATOM 693 O VAL A1046 -5.840 37.133 2.430 1.00 29.67 O ATOM 694 CB VAL A1046 -4.556 36.436 -0.490 1.00 29.28 C ATOM 695 CG1 VAL A1046 -6.045 36.172 -0.537 1.00 30.45 C ATOM 696 CG2 VAL A1046 -4.071 36.999 -1.831 1.00 30.54 C ATOM 697 H VAL A1046 -2.068 37.072 0.247 1.00 0.00 H ATOM 698 N LYS A1047 -3.857 36.115 2.788 1.00 32.28 N ATOM 699 CA LYS A1047 -4.226 35.656 4.151 1.00 35.70 C ATOM 700 C LYS A1047 -4.638 36.851 5.028 1.00 33.64 C ATOM 701 O LYS A1047 -5.678 36.738 5.718 1.00 35.62 O ATOM 702 CB LYS A1047 -3.096 34.824 4.772 1.00 39.44 C ATOM 703 CG LYS A1047 -3.528 33.947 5.937 1.00 47.33 C ATOM 704 CD LYS A1047 -2.376 33.242 6.642 1.00 54.65 C ATOM 705 CE LYS A1047 -1.757 32.139 5.807 1.00 61.94 C ATOM 706 NZ LYS A1047 -0.933 31.229 6.643 1.00 69.90 N ATOM 707 HZ1 LYS A1047 -0.169 31.772 7.095 1.00 0.00 H ATOM 708 HZ2 LYS A1047 -1.532 30.795 7.375 1.00 0.00 H ATOM 709 HZ3 LYS A1047 -0.523 30.485 6.043 1.00 0.00 H ATOM 710 H LYS A1047 -2.923 35.863 2.405 1.00 0.00 H ATOM 711 N ASP A1048 -3.911 37.970 4.994 1.00 33.40 N ATOM 712 CA ASP A1048 -4.238 39.158 5.827 1.00 33.61 C ATOM 713 C ASP A1048 -5.574 39.764 5.372 1.00 30.69 C ATOM 714 O ASP A1048 -6.392 40.166 6.223 1.00 30.39 O ATOM 715 CB ASP A1048 -3.120 40.190 5.808 1.00 36.09 C ATOM 716 CG ASP A1048 -1.885 39.719 6.573 1.00 43.93 C ATOM 717 OD1 ASP A1048 -1.989 38.726 7.341 1.00 50.06 O ATOM 718 OD2 ASP A1048 -0.852 40.325 6.383 1.00 47.81 O ATOM 719 H ASP A1048 -3.086 38.013 4.362 1.00 0.00 H ATOM 720 N TYR A1049 -5.832 39.781 4.068 1.00 28.40 N ATOM 721 CA TYR A1049 -7.136 40.243 3.520 1.00 27.83 C ATOM 722 C TYR A1049 -8.278 39.351 4.023 1.00 27.84 C ATOM 723 O TYR A1049 -9.349 39.854 4.491 1.00 26.25 O ATOM 724 CB TYR A1049 -7.039 40.239 1.998 1.00 25.90 C ATOM 725 CG TYR A1049 -8.341 40.457 1.288 1.00 24.33 C ATOM 726 CD1 TYR A1049 -8.790 41.742 1.026 1.00 24.95 C ATOM 727 CD2 TYR A1049 -9.095 39.390 0.838 1.00 24.44 C ATOM 728 CE1 TYR A1049 -9.961 41.963 0.322 1.00 24.09 C ATOM 729 CE2 TYR A1049 -10.289 39.599 0.170 1.00 23.90 C ATOM 730 CZ TYR A1049 -10.713 40.885 -0.105 1.00 24.53 C ATOM 731 OH TYR A1049 -11.890 41.051 -0.802 1.00 24.48 O ATOM 732 HH TYR A1049 -12.066 42.017 -0.925 1.00 0.00 H ATOM 733 H TYR A1049 -5.096 39.460 3.407 1.00 0.00 H ATOM 734 N LEU A1050 -8.093 38.034 3.954 1.00 27.61 N ATOM 735 CA LEU A1050 -9.151 37.073 4.342 1.00 28.36 C ATOM 736 C LEU A1050 -9.433 37.185 5.839 1.00 30.62 C ATOM 737 O LEU A1050 -10.572 36.878 6.229 1.00 29.46 O ATOM 738 CB LEU A1050 -8.774 35.648 3.939 1.00 29.38 C ATOM 739 CG LEU A1050 -8.915 35.363 2.448 1.00 30.76 C ATOM 740 CD1 LEU A1050 -8.432 33.967 2.118 1.00 34.65 C ATOM 741 CD2 LEU A1050 -10.346 35.552 1.960 1.00 32.25 C ATOM 742 H LEU A1050 -7.179 37.670 3.618 1.00 0.00 H ATOM 743 N ARG A1051 -8.463 37.607 6.652 1.00 30.54 N ATOM 744 CA ARG A1051 -8.725 37.847 8.094 1.00 33.64 C ATOM 745 C ARG A1051 -9.768 38.958 8.238 1.00 30.52 C ATOM 746 O ARG A1051 -10.619 38.828 9.129 1.00 30.48 O ATOM 747 CB ARG A1051 -7.446 38.167 8.873 1.00 37.80 C ATOM 748 CG ARG A1051 -6.603 36.935 9.150 1.00 45.51 C ATOM 749 CD ARG A1051 -5.588 37.190 10.254 1.00 55.96 C ATOM 750 NE ARG A1051 -4.523 36.193 10.262 1.00 66.17 N ATOM 751 CZ ARG A1051 -3.326 36.331 9.688 1.00 72.23 C ATOM 752 NH1 ARG A1051 -3.016 37.430 9.019 1.00 74.51 N ATOM 753 NH2 ARG A1051 -2.436 35.355 9.779 1.00 77.95 N ATOM 754 HE ARG A1051 -4.713 35.298 10.757 1.00 0.00 H ATOM 755 HH12 ARG A1051 -2.079 37.523 8.577 1.00 0.00 H ATOM 756 HH11 ARG A1051 -3.709 38.201 8.935 1.00 0.00 H ATOM 757 HH22 ARG A1051 -1.502 35.459 9.333 1.00 0.00 H ATOM 758 HH21 ARG A1051 -2.671 34.484 10.297 1.00 0.00 H ATOM 759 H ARG A1051 -7.509 37.770 6.270 1.00 0.00 H ATOM 760 N ASP A1052 -9.737 39.995 7.397 1.00 29.72 N ATOM 761 CA ASP A1052 -10.763 41.076 7.464 1.00 28.76 C ATOM 762 C ASP A1052 -12.100 40.583 6.880 1.00 28.96 C ATOM 763 O ASP A1052 -13.162 40.997 7.418 1.00 28.42 O ATOM 764 CB ASP A1052 -10.256 42.376 6.847 1.00 31.55 C ATOM 765 CG ASP A1052 -9.412 43.175 7.828 1.00 34.15 C ATOM 766 OD1 ASP A1052 -9.452 42.844 9.049 1.00 34.45 O ATOM 767 OD2 ASP A1052 -8.785 44.151 7.393 1.00 33.32 O ATOM 768 H ASP A1052 -8.984 40.050 6.682 1.00 0.00 H ATOM 769 N ILE A1053 -12.108 39.726 5.860 1.00 27.34 N ATOM 770 CA ILE A1053 -13.407 39.165 5.365 1.00 27.66 C ATOM 771 C ILE A1053 -14.018 38.318 6.492 1.00 27.71 C ATOM 772 O ILE A1053 -15.242 38.416 6.763 1.00 27.27 O ATOM 773 CB ILE A1053 -13.212 38.345 4.076 1.00 27.94 C ATOM 774 CG1 ILE A1053 -12.668 39.200 2.933 1.00 28.57 C ATOM 775 CG2 ILE A1053 -14.499 37.637 3.700 1.00 29.87 C ATOM 776 CD1 ILE A1053 -13.495 40.409 2.558 1.00 28.21 C ATOM 777 H ILE A1053 -11.214 39.447 5.408 1.00 0.00 H ATOM 778 N ASP A1054 -13.186 37.506 7.151 1.00 28.48 N ATOM 779 CA ASP A1054 -13.607 36.635 8.278 1.00 30.91 C ATOM 780 C ASP A1054 -14.175 37.487 9.426 1.00 30.32 C ATOM 781 O ASP A1054 -15.143 37.031 10.063 1.00 30.26 O ATOM 782 CB ASP A1054 -12.441 35.787 8.788 1.00 35.00 C ATOM 783 CG ASP A1054 -12.065 34.612 7.901 1.00 40.69 C ATOM 784 OD1 ASP A1054 -12.890 34.185 7.102 1.00 45.44 O ATOM 785 OD2 ASP A1054 -10.956 34.099 8.066 1.00 48.37 O ATOM 786 H ASP A1054 -12.188 37.483 6.858 1.00 0.00 H ATOM 787 N LEU A1055 -13.598 38.668 9.679 1.00 29.95 N ATOM 788 CA LEU A1055 -14.040 39.626 10.727 1.00 31.39 C ATOM 789 C LEU A1055 -15.414 40.206 10.369 1.00 29.83 C ATOM 790 O LEU A1055 -16.288 40.278 11.269 1.00 30.62 O ATOM 791 CB LEU A1055 -12.989 40.728 10.859 1.00 32.22 C ATOM 792 CG LEU A1055 -13.225 41.779 11.936 1.00 36.01 C ATOM 793 CD1 LEU A1055 -13.340 41.138 13.312 1.00 35.53 C ATOM 794 CD2 LEU A1055 -12.106 42.810 11.893 1.00 36.31 C ATOM 795 H LEU A1055 -12.778 38.936 9.098 1.00 0.00 H ATOM 796 N ILE A1056 -15.643 40.585 9.113 1.00 29.14 N ATOM 797 CA ILE A1056 -16.996 41.038 8.675 1.00 29.35 C ATOM 798 C ILE A1056 -18.001 39.942 9.041 1.00 29.75 C ATOM 799 O ILE A1056 -19.072 40.245 9.651 1.00 30.28 O ATOM 800 CB ILE A1056 -17.029 41.396 7.175 1.00 30.28 C ATOM 801 CG1 ILE A1056 -16.128 42.590 6.853 1.00 29.61 C ATOM 802 CG2 ILE A1056 -18.466 41.642 6.747 1.00 29.75 C ATOM 803 CD1 ILE A1056 -16.000 42.903 5.378 1.00 29.71 C ATOM 804 H ILE A1056 -14.864 40.565 8.424 1.00 0.00 H ATOM 805 N CYS A1057 -17.712 38.699 8.673 1.00 28.45 N ATOM 806 CA CYS A1057 -18.582 37.536 8.948 1.00 29.38 C ATOM 807 C CYS A1057 -18.768 37.314 10.460 1.00 30.54 C ATOM 808 O CYS A1057 -19.910 37.188 10.918 1.00 30.09 O ATOM 809 CB CYS A1057 -18.032 36.285 8.282 1.00 31.26 C ATOM 810 SG CYS A1057 -19.179 34.897 8.381 1.00 36.60 S ATOM 811 H CYS A1057 -16.822 38.534 8.161 1.00 0.00 H ATOM 812 N SER A1058 -17.692 37.219 11.232 1.00 31.61 N ATOM 813 CA SER A1058 -17.810 36.924 12.685 1.00 33.24 C ATOM 814 C SER A1058 -18.526 38.076 13.400 1.00 32.11 C ATOM 815 O SER A1058 -19.308 37.780 14.280 1.00 35.55 O ATOM 816 CB SER A1058 -16.461 36.586 13.314 1.00 37.55 C ATOM 817 OG SER A1058 -15.533 37.621 13.092 1.00 41.54 O ATOM 818 HG SER A1058 -14.667 37.381 13.508 1.00 0.00 H ATOM 819 H SER A1058 -16.750 37.353 10.813 1.00 0.00 H ATOM 820 N ASN A1059 -18.304 39.334 13.011 1.00 31.13 N ATOM 821 CA ASN A1059 -19.003 40.507 13.599 1.00 30.80 C ATOM 822 C ASN A1059 -20.509 40.370 13.342 1.00 30.62 C ATOM 823 O ASN A1059 -21.311 40.637 14.243 1.00 31.78 O ATOM 824 CB ASN A1059 -18.480 41.838 13.058 1.00 32.50 C ATOM 825 CG ASN A1059 -17.101 42.232 13.563 1.00 34.28 C ATOM 826 OD1 ASN A1059 -16.613 41.692 14.552 1.00 35.34 O ATOM 827 ND2 ASN A1059 -16.506 43.235 12.943 1.00 32.93 N ATOM 828 HD22 ASN A1059 -16.950 43.667 12.108 1.00 0.00 H ATOM 829 HD21 ASN A1059 -15.593 43.593 13.290 1.00 0.00 H ATOM 830 H ASN A1059 -17.606 39.502 12.258 1.00 0.00 H ATOM 831 N ALA A1060 -20.912 39.954 12.140 1.00 28.82 N ATOM 832 CA ALA A1060 -22.349 39.784 11.809 1.00 28.92 C ATOM 833 C ALA A1060 -22.957 38.653 12.648 1.00 30.60 C ATOM 834 O ALA A1060 -24.092 38.831 13.152 1.00 32.71 O ATOM 835 CB ALA A1060 -22.490 39.527 10.332 1.00 28.69 C ATOM 836 H ALA A1060 -20.198 39.743 11.414 1.00 0.00 H ATOM 837 N LEU A1061 -22.245 37.534 12.823 1.00 32.31 N ATOM 838 CA LEU A1061 -22.770 36.372 13.578 1.00 35.19 C ATOM 839 C LEU A1061 -22.877 36.768 15.053 1.00 38.37 C ATOM 840 O LEU A1061 -23.871 36.372 15.697 1.00 40.56 O ATOM 841 CB LEU A1061 -21.876 35.141 13.418 1.00 38.67 C ATOM 842 CG LEU A1061 -21.673 34.565 12.014 1.00 45.38 C ATOM 843 CD1 LEU A1061 -21.294 33.092 12.082 1.00 50.72 C ATOM 844 CD2 LEU A1061 -22.876 34.753 11.122 1.00 43.73 C ATOM 845 H LEU A1061 -21.290 37.478 12.415 1.00 0.00 H ATOM 846 N GLU A1062 -21.893 37.531 15.558 1.00 37.04 N ATOM 847 CA GLU A1062 -21.851 37.937 16.991 1.00 40.36 C ATOM 848 C GLU A1062 -23.000 38.913 17.277 1.00 39.12 C ATOM 849 O GLU A1062 -23.709 38.706 18.281 1.00 39.82 O ATOM 850 CB GLU A1062 -20.472 38.506 17.345 1.00 41.51 C ATOM 851 CG GLU A1062 -20.377 39.079 18.754 1.00 48.54 C ATOM 852 CD GLU A1062 -19.021 39.682 19.100 1.00 56.17 C ATOM 853 OE1 GLU A1062 -18.077 39.497 18.299 1.00 57.07 O ATOM 854 OE2 GLU A1062 -18.911 40.347 20.162 1.00 62.59 O ATOM 855 H GLU A1062 -21.132 37.850 14.925 1.00 0.00 H ATOM 856 N TYR A1063 -23.175 39.945 16.447 1.00 37.97 N ATOM 857 CA TYR A1063 -24.150 41.037 16.684 1.00 38.07 C ATOM 858 C TYR A1063 -25.586 40.567 16.418 1.00 38.68 C ATOM 859 O TYR A1063 -26.513 41.158 17.008 1.00 40.81 O ATOM 860 CB TYR A1063 -23.832 42.282 15.853 1.00 40.65 C ATOM 861 CG TYR A1063 -24.603 43.487 16.321 1.00 44.67 C ATOM 862 CD1 TYR A1063 -24.208 44.180 17.455 1.00 46.56 C ATOM 863 CD2 TYR A1063 -25.790 43.868 15.713 1.00 46.67 C ATOM 864 CE1 TYR A1063 -24.931 45.261 17.933 1.00 49.54 C ATOM 865 CE2 TYR A1063 -26.522 44.950 16.176 1.00 49.95 C ATOM 866 CZ TYR A1063 -26.092 45.646 17.290 1.00 52.11 C ATOM 867 OH TYR A1063 -26.805 46.712 17.759 1.00 59.28 O ATOM 868 HH TYR A1063 -26.352 47.085 18.557 1.00 0.00 H ATOM 869 H TYR A1063 -22.594 39.985 15.585 1.00 0.00 H ATOM 870 N ASN A1064 -25.791 39.559 15.569 1.00 37.26 N ATOM 871 CA ASN A1064 -27.155 39.127 15.140 1.00 36.37 C ATOM 872 C ASN A1064 -27.304 37.631 15.406 1.00 36.24 C ATOM 873 O ASN A1064 -27.451 36.849 14.476 1.00 36.21 O ATOM 874 CB ASN A1064 -27.412 39.485 13.664 1.00 38.49 C ATOM 875 CG ASN A1064 -27.075 40.928 13.330 1.00 38.70 C ATOM 876 OD1 ASN A1064 -27.895 41.826 13.516 1.00 40.15 O ATOM 877 ND2 ASN A1064 -25.869 41.174 12.844 1.00 36.60 N ATOM 878 HD22 ASN A1064 -25.198 40.393 12.698 1.00 0.00 H ATOM 879 HD21 ASN A1064 -25.592 42.148 12.608 1.00 0.00 H ATOM 880 H ASN A1064 -24.966 39.052 15.189 1.00 0.00 H ATOM 881 N PRO A1065 -27.305 37.173 16.681 1.00 37.13 N ATOM 882 CA PRO A1065 -27.306 35.741 16.993 1.00 39.51 C ATOM 883 C PRO A1065 -28.676 35.066 17.166 1.00 41.65 C ATOM 884 O PRO A1065 -28.697 33.875 17.408 1.00 44.92 O ATOM 885 CB PRO A1065 -26.599 35.759 18.363 1.00 41.35 C ATOM 886 CG PRO A1065 -27.190 36.997 19.025 1.00 41.77 C ATOM 887 CD PRO A1065 -27.245 38.008 17.897 1.00 39.41 C ATOM 888 N ASP A1066 -29.771 35.816 17.013 1.00 39.17 N ATOM 889 CA ASP A1066 -31.136 35.387 17.428 1.00 42.82 C ATOM 890 C ASP A1066 -31.776 34.480 16.376 1.00 40.47 C ATOM 891 O ASP A1066 -31.293 34.422 15.220 1.00 38.95 O ATOM 892 CB ASP A1066 -32.045 36.586 17.685 1.00 46.80 C ATOM 893 CG ASP A1066 -31.638 37.431 18.879 1.00 53.70 C ATOM 894 OD1 ASP A1066 -30.660 37.057 19.578 1.00 54.37 O ATOM 895 OD2 ASP A1066 -32.316 38.455 19.117 1.00 61.19 O ATOM 896 H ASP A1066 -29.664 36.755 16.578 1.00 0.00 H ATOM 897 N ARG A1067 -32.838 33.776 16.762 1.00 40.42 N ATOM 898 CA ARG A1067 -33.508 32.819 15.858 1.00 41.64 C ATOM 899 C ARG A1067 -34.429 33.579 14.895 1.00 40.15 C ATOM 900 O ARG A1067 -34.939 32.940 13.968 1.00 39.25 O ATOM 901 CB ARG A1067 -34.313 31.787 16.647 1.00 46.00 C ATOM 902 CG ARG A1067 -35.341 32.432 17.562 1.00 48.83 C ATOM 903 CD ARG A1067 -36.694 31.787 17.450 1.00 50.58 C ATOM 904 NE ARG A1067 -37.123 31.469 16.106 1.00 50.81 N ATOM 905 CZ ARG A1067 -37.979 32.193 15.374 1.00 53.86 C ATOM 906 NH1 ARG A1067 -38.477 33.346 15.821 1.00 52.64 N ATOM 907 NH2 ARG A1067 -38.296 31.764 14.169 1.00 44.04 N ATOM 908 HE ARG A1067 -36.735 30.607 15.672 1.00 0.00 H ATOM 909 HH12 ARG A1067 -39.140 33.889 15.232 1.00 0.00 H ATOM 910 HH11 ARG A1067 -38.202 33.702 16.759 1.00 0.00 H ATOM 911 HH22 ARG A1067 -38.959 32.308 13.581 1.00 0.00 H ATOM 912 HH21 ARG A1067 -37.883 30.881 13.806 1.00 0.00 H ATOM 913 H ARG A1067 -33.206 33.903 17.726 1.00 0.00 H ATOM 914 N ASP A1068 -34.691 34.865 15.130 1.00 39.00 N ATOM 915 CA ASP A1068 -35.722 35.575 14.326 1.00 41.94 C ATOM 916 C ASP A1068 -35.210 35.687 12.895 1.00 38.01 C ATOM 917 O ASP A1068 -33.987 35.658 12.643 1.00 37.45 O ATOM 918 CB ASP A1068 -36.101 36.928 14.925 1.00 47.31 C ATOM 919 CG ASP A1068 -34.979 37.941 14.902 1.00 53.49 C ATOM 920 OD1 ASP A1068 -34.686 38.473 13.804 1.00 57.78 O ATOM 921 OD2 ASP A1068 -34.387 38.166 15.971 1.00 66.27 O ATOM 922 H ASP A1068 -34.174 35.372 15.876 1.00 0.00 H ATOM 923 N PRO A1069 -36.123 35.819 11.916 1.00 35.55 N ATOM 924 CA PRO A1069 -35.730 35.838 10.510 1.00 34.08 C ATOM 925 C PRO A1069 -34.774 36.970 10.103 1.00 32.52 C ATOM 926 O PRO A1069 -33.961 36.740 9.220 1.00 32.44 O ATOM 927 CB PRO A1069 -37.063 36.007 9.765 1.00 34.77 C ATOM 928 CG PRO A1069 -38.090 35.485 10.732 1.00 37.01 C ATOM 929 CD PRO A1069 -37.594 35.831 12.103 1.00 37.45 C ATOM 930 N GLY A1070 -34.909 38.155 10.696 1.00 32.86 N ATOM 931 CA GLY A1070 -33.976 39.270 10.448 1.00 35.43 C ATOM 932 C GLY A1070 -32.530 38.854 10.719 1.00 35.11 C ATOM 933 O GLY A1070 -31.640 39.029 9.844 1.00 34.55 O ATOM 934 H GLY A1070 -35.699 38.299 11.356 1.00 0.00 H ATOM 935 N ASP A1071 -32.299 38.268 11.893 1.00 34.23 N ATOM 936 CA ASP A1071 -30.946 37.820 12.313 1.00 35.74 C ATOM 937 C ASP A1071 -30.506 36.658 11.414 1.00 32.74 C ATOM 938 O ASP A1071 -29.349 36.695 10.958 1.00 33.44 O ATOM 939 CB ASP A1071 -30.948 37.466 13.802 1.00 37.60 C ATOM 940 CG ASP A1071 -30.815 38.676 14.722 1.00 43.51 C ATOM 941 OD1 ASP A1071 -31.146 39.804 14.279 1.00 45.83 O ATOM 942 OD2 ASP A1071 -30.349 38.489 15.874 1.00 44.80 O ATOM 943 H ASP A1071 -33.098 38.118 12.542 1.00 0.00 H ATOM 944 N ARG A1072 -31.383 35.683 11.157 1.00 32.15 N ATOM 945 CA ARG A1072 -31.020 34.488 10.355 1.00 33.30 C ATOM 946 C ARG A1072 -30.635 34.946 8.938 1.00 31.41 C ATOM 947 O ARG A1072 -29.711 34.352 8.376 1.00 29.33 O ATOM 948 CB ARG A1072 -32.127 33.428 10.352 1.00 36.67 C ATOM 949 CG ARG A1072 -32.141 32.589 11.623 1.00 41.81 C ATOM 950 CD ARG A1072 -33.106 31.424 11.622 1.00 46.81 C ATOM 951 NE ARG A1072 -33.002 30.624 12.855 1.00 49.17 N ATOM 952 CZ ARG A1072 -33.987 29.889 13.382 1.00 56.30 C ATOM 953 NH1 ARG A1072 -35.196 29.889 12.841 1.00 54.60 N ATOM 954 NH2 ARG A1072 -33.772 29.189 14.485 1.00 59.69 N ATOM 955 HE ARG A1072 -32.090 30.632 13.355 1.00 0.00 H ATOM 956 HH12 ARG A1072 -35.953 29.313 13.261 1.00 0.00 H ATOM 957 HH11 ARG A1072 -35.388 30.465 11.997 1.00 0.00 H ATOM 958 HH22 ARG A1072 -34.538 28.617 14.895 1.00 0.00 H ATOM 959 HH21 ARG A1072 -32.838 29.211 14.941 1.00 0.00 H ATOM 960 H ARG A1072 -32.350 35.764 11.531 1.00 0.00 H ATOM 961 N LEU A1073 -31.346 35.927 8.365 1.00 30.28 N ATOM 962 CA LEU A1073 -31.033 36.432 6.991 1.00 28.89 C ATOM 963 C LEU A1073 -29.638 37.065 6.992 1.00 27.91 C ATOM 964 O LEU A1073 -28.853 36.752 6.071 1.00 27.92 O ATOM 965 CB LEU A1073 -32.106 37.435 6.561 1.00 30.34 C ATOM 966 CG LEU A1073 -31.892 38.074 5.193 1.00 30.04 C ATOM 967 CD1 LEU A1073 -31.827 37.038 4.091 1.00 31.13 C ATOM 968 CD2 LEU A1073 -32.992 39.091 4.916 1.00 32.60 C ATOM 969 H LEU A1073 -32.138 36.350 8.890 1.00 0.00 H ATOM 970 N ILE A1074 -29.325 37.898 7.976 1.00 28.10 N ATOM 971 CA ILE A1074 -27.977 38.556 8.051 1.00 29.77 C ATOM 972 C ILE A1074 -26.907 37.475 8.189 1.00 29.26 C ATOM 973 O ILE A1074 -25.869 37.554 7.478 1.00 28.85 O ATOM 974 CB ILE A1074 -27.895 39.622 9.164 1.00 32.85 C ATOM 975 CG1 ILE A1074 -28.901 40.751 8.948 1.00 36.52 C ATOM 976 CG2 ILE A1074 -26.484 40.177 9.235 1.00 34.77 C ATOM 977 CD1 ILE A1074 -29.376 41.406 10.222 1.00 43.53 C ATOM 978 H ILE A1074 -30.030 38.100 8.713 1.00 0.00 H ATOM 979 N ARG A1075 -27.108 36.482 9.053 1.00 30.23 N ATOM 980 CA ARG A1075 -26.095 35.406 9.231 1.00 30.95 C ATOM 981 C ARG A1075 -25.920 34.646 7.917 1.00 29.89 C ATOM 982 O ARG A1075 -24.757 34.341 7.577 1.00 29.04 O ATOM 983 CB ARG A1075 -26.463 34.475 10.392 1.00 33.63 C ATOM 984 CG ARG A1075 -26.386 35.160 11.746 1.00 35.28 C ATOM 985 CD ARG A1075 -26.259 34.136 12.863 1.00 39.07 C ATOM 986 NE ARG A1075 -27.294 33.116 12.925 1.00 41.59 N ATOM 987 CZ ARG A1075 -28.494 33.275 13.461 1.00 41.32 C ATOM 988 NH1 ARG A1075 -28.861 34.451 13.932 1.00 43.00 N ATOM 989 NH2 ARG A1075 -29.339 32.261 13.500 1.00 45.58 N ATOM 990 HE ARG A1075 -27.073 32.186 12.515 1.00 0.00 H ATOM 991 HH12 ARG A1075 -29.805 34.571 14.352 1.00 0.00 H ATOM 992 HH11 ARG A1075 -28.207 35.258 13.883 1.00 0.00 H ATOM 993 HH22 ARG A1075 -30.282 32.386 13.921 1.00 0.00 H ATOM 994 HH21 ARG A1075 -29.062 31.338 13.110 1.00 0.00 H ATOM 995 H ARG A1075 -27.985 36.458 9.611 1.00 0.00 H ATOM 996 N HIS A1076 -27.015 34.276 7.232 1.00 29.07 N ATOM 997 CA HIS A1076 -26.913 33.550 5.947 1.00 29.70 C ATOM 998 C HIS A1076 -26.111 34.403 4.958 1.00 27.89 C ATOM 999 O HIS A1076 -25.231 33.858 4.289 1.00 28.58 O ATOM 1000 CB HIS A1076 -28.285 33.147 5.381 1.00 29.64 C ATOM 1001 CG HIS A1076 -28.198 32.228 4.213 1.00 33.65 C ATOM 1002 ND1 HIS A1076 -28.150 32.684 2.900 1.00 35.94 N ATOM 1003 CD2 HIS A1076 -28.172 30.873 4.149 1.00 38.76 C ATOM 1004 CE1 HIS A1076 -28.053 31.644 2.079 1.00 39.89 C ATOM 1005 NE2 HIS A1076 -28.081 30.515 2.826 1.00 37.75 N ATOM 1006 H HIS A1076 -27.955 34.505 7.613 1.00 0.00 H ATOM 1007 N ARG A1077 -26.378 35.706 4.888 1.00 28.46 N ATOM 1008 CA ARG A1077 -25.643 36.600 3.949 1.00 26.87 C ATOM 1009 C ARG A1077 -24.168 36.689 4.353 1.00 26.93 C ATOM 1010 O ARG A1077 -23.318 36.661 3.466 1.00 26.74 O ATOM 1011 CB ARG A1077 -26.282 37.983 3.947 1.00 28.17 C ATOM 1012 CG ARG A1077 -27.619 37.988 3.224 1.00 28.96 C ATOM 1013 CD ARG A1077 -28.370 39.259 3.485 1.00 30.03 C ATOM 1014 NE ARG A1077 -29.465 39.381 2.539 1.00 31.49 N ATOM 1015 CZ ARG A1077 -30.349 40.359 2.539 1.00 33.00 C ATOM 1016 NH1 ARG A1077 -30.296 41.300 3.457 1.00 34.82 N ATOM 1017 NH2 ARG A1077 -31.307 40.379 1.632 1.00 36.04 N ATOM 1018 HE ARG A1077 -29.558 38.645 1.810 1.00 0.00 H ATOM 1019 HH12 ARG A1077 -30.995 42.070 3.454 1.00 0.00 H ATOM 1020 HH11 ARG A1077 -29.555 41.274 4.186 1.00 0.00 H ATOM 1021 HH22 ARG A1077 -32.005 41.150 1.630 1.00 0.00 H ATOM 1022 HH21 ARG A1077 -31.364 39.624 0.919 1.00 0.00 H ATOM 1023 H ARG A1077 -27.115 36.108 5.502 1.00 0.00 H ATOM 1024 N ALA A1078 -23.881 36.761 5.652 1.00 26.21 N ATOM 1025 CA ALA A1078 -22.496 36.887 6.169 1.00 28.29 C ATOM 1026 C ALA A1078 -21.700 35.654 5.771 1.00 27.48 C ATOM 1027 O ALA A1078 -20.556 35.816 5.307 1.00 28.08 O ATOM 1028 CB ALA A1078 -22.523 37.060 7.660 1.00 29.76 C ATOM 1029 H ALA A1078 -24.664 36.727 6.335 1.00 0.00 H ATOM 1030 N CYS A1079 -22.281 34.469 5.978 1.00 29.38 N ATOM 1031 CA CYS A1079 -21.671 33.172 5.606 1.00 30.68 C ATOM 1032 C CYS A1079 -21.497 33.108 4.081 1.00 30.70 C ATOM 1033 O CYS A1079 -20.468 32.598 3.633 1.00 27.62 O ATOM 1034 CB CYS A1079 -22.473 32.011 6.180 1.00 34.19 C ATOM 1035 SG CYS A1079 -22.280 31.949 7.985 1.00 43.83 S ATOM 1036 H CYS A1079 -23.219 34.457 6.428 1.00 0.00 H ATOM 1037 N ALA A1080 -22.443 33.639 3.301 1.00 26.66 N ATOM 1038 CA ALA A1080 -22.350 33.653 1.824 1.00 26.81 C ATOM 1039 C ALA A1080 -21.219 34.584 1.381 1.00 25.97 C ATOM 1040 O ALA A1080 -20.500 34.216 0.442 1.00 25.85 O ATOM 1041 CB ALA A1080 -23.693 34.026 1.221 1.00 27.21 C ATOM 1042 H ALA A1080 -23.281 34.060 3.751 1.00 0.00 H ATOM 1043 N LEU A1081 -21.039 35.726 2.051 1.00 26.16 N ATOM 1044 CA LEU A1081 -19.960 36.688 1.718 1.00 25.83 C ATOM 1045 C LEU A1081 -18.613 35.992 1.920 1.00 26.21 C ATOM 1046 O LEU A1081 -17.755 36.058 1.019 1.00 24.98 O ATOM 1047 CB LEU A1081 -20.080 37.910 2.628 1.00 26.69 C ATOM 1048 CG LEU A1081 -18.932 38.910 2.542 1.00 32.02 C ATOM 1049 CD1 LEU A1081 -18.963 39.626 1.221 1.00 34.38 C ATOM 1050 CD2 LEU A1081 -18.994 39.897 3.685 1.00 35.61 C ATOM 1051 H LEU A1081 -21.681 35.949 2.838 1.00 0.00 H ATOM 1052 N ARG A1082 -18.446 35.352 3.075 1.00 26.72 N ATOM 1053 CA ARG A1082 -17.197 34.628 3.403 1.00 28.97 C ATOM 1054 C ARG A1082 -16.969 33.523 2.375 1.00 27.33 C ATOM 1055 O ARG A1082 -15.849 33.452 1.796 1.00 25.38 O ATOM 1056 CB ARG A1082 -17.289 34.079 4.821 1.00 32.02 C ATOM 1057 CG ARG A1082 -16.020 33.400 5.294 1.00 35.94 C ATOM 1058 CD ARG A1082 -15.993 33.189 6.787 1.00 44.72 C ATOM 1059 NE ARG A1082 -14.724 32.552 7.126 1.00 54.04 N ATOM 1060 CZ ARG A1082 -14.514 31.238 7.190 1.00 59.82 C ATOM 1061 NH1 ARG A1082 -13.305 30.783 7.482 1.00 59.76 N ATOM 1062 NH2 ARG A1082 -15.505 30.387 6.974 1.00 60.23 N ATOM 1063 HE ARG A1082 -13.918 33.175 7.335 1.00 0.00 H ATOM 1064 HH12 ARG A1082 -13.133 29.759 7.534 1.00 0.00 H ATOM 1065 HH11 ARG A1082 -12.527 31.450 7.660 1.00 0.00 H ATOM 1066 HH22 ARG A1082 -15.332 29.363 7.026 1.00 0.00 H ATOM 1067 HH21 ARG A1082 -16.457 30.743 6.752 1.00 0.00 H ATOM 1068 H ARG A1082 -19.219 35.361 3.771 1.00 0.00 H ATOM 1069 N ASP A1083 -17.965 32.672 2.148 1.00 27.35 N ATOM 1070 CA ASP A1083 -17.827 31.518 1.221 1.00 29.28 C ATOM 1071 C ASP A1083 -17.538 31.997 -0.206 1.00 27.41 C ATOM 1072 O ASP A1083 -16.677 31.373 -0.879 1.00 27.73 O ATOM 1073 CB ASP A1083 -19.049 30.621 1.225 1.00 31.80 C ATOM 1074 CG ASP A1083 -19.254 29.859 2.524 1.00 38.95 C ATOM 1075 OD1 ASP A1083 -18.312 29.810 3.351 1.00 41.03 O ATOM 1076 OD2 ASP A1083 -20.384 29.371 2.709 1.00 38.43 O ATOM 1077 H ASP A1083 -18.872 32.819 2.636 1.00 0.00 H ATOM 1078 N THR A1084 -18.134 33.116 -0.613 1.00 25.19 N ATOM 1079 CA THR A1084 -17.919 33.668 -1.970 1.00 24.37 C ATOM 1080 C THR A1084 -16.481 34.164 -2.098 1.00 22.97 C ATOM 1081 O THR A1084 -15.844 33.878 -3.123 1.00 26.06 O ATOM 1082 CB THR A1084 -18.958 34.733 -2.312 1.00 24.49 C ATOM 1083 OG1 THR A1084 -20.261 34.138 -2.250 1.00 25.78 O ATOM 1084 CG2 THR A1084 -18.706 35.308 -3.680 1.00 26.14 C ATOM 1085 HG1 THR A1084 -20.421 33.791 -1.337 1.00 0.00 H ATOM 1086 H THR A1084 -18.769 33.617 0.041 1.00 0.00 H ATOM 1087 N ALA A1085 -15.977 34.895 -1.116 1.00 23.55 N ATOM 1088 CA ALA A1085 -14.603 35.438 -1.146 1.00 24.38 C ATOM 1089 C ALA A1085 -13.624 34.269 -1.222 1.00 24.88 C ATOM 1090 O ALA A1085 -12.719 34.283 -2.093 1.00 23.54 O ATOM 1091 CB ALA A1085 -14.329 36.306 0.046 1.00 25.30 C ATOM 1092 H ALA A1085 -16.574 35.096 -0.288 1.00 0.00 H ATOM 1093 N TYR A1086 -13.832 33.258 -0.378 1.00 24.72 N ATOM 1094 CA TYR A1086 -12.943 32.070 -0.366 1.00 27.18 C ATOM 1095 C TYR A1086 -13.020 31.366 -1.727 1.00 26.30 C ATOM 1096 O TYR A1086 -11.973 30.924 -2.207 1.00 28.04 O ATOM 1097 CB TYR A1086 -13.241 31.161 0.828 1.00 29.42 C ATOM 1098 CG TYR A1086 -12.546 31.556 2.105 1.00 30.61 C ATOM 1099 CD1 TYR A1086 -13.033 32.561 2.927 1.00 32.41 C ATOM 1100 CD2 TYR A1086 -11.343 30.965 2.470 1.00 36.69 C ATOM 1101 CE1 TYR A1086 -12.390 32.924 4.106 1.00 32.28 C ATOM 1102 CE2 TYR A1086 -10.693 31.309 3.646 1.00 35.93 C ATOM 1103 CZ TYR A1086 -11.211 32.293 4.470 1.00 34.93 C ATOM 1104 OH TYR A1086 -10.546 32.611 5.627 1.00 34.92 O ATOM 1105 HH TYR A1086 -11.038 33.326 6.103 1.00 0.00 H ATOM 1106 H TYR A1086 -14.632 33.303 0.284 1.00 0.00 H ATOM 1107 N ALA A1087 -14.191 31.255 -2.345 1.00 25.89 N ATOM 1108 CA ALA A1087 -14.349 30.504 -3.615 1.00 26.86 C ATOM 1109 C ALA A1087 -13.683 31.270 -4.769 1.00 25.66 C ATOM 1110 O ALA A1087 -13.056 30.632 -5.640 1.00 25.57 O ATOM 1111 CB ALA A1087 -15.816 30.217 -3.881 1.00 30.59 C ATOM 1112 H ALA A1087 -15.026 31.710 -1.924 1.00 0.00 H ATOM 1113 N ILE A1088 -13.785 32.603 -4.797 1.00 24.66 N ATOM 1114 CA ILE A1088 -13.087 33.420 -5.833 1.00 24.34 C ATOM 1115 C ILE A1088 -11.591 33.209 -5.675 1.00 24.18 C ATOM 1116 O ILE A1088 -10.900 32.986 -6.693 1.00 25.66 O ATOM 1117 CB ILE A1088 -13.498 34.904 -5.738 1.00 25.54 C ATOM 1118 CG1 ILE A1088 -14.969 35.063 -6.131 1.00 26.08 C ATOM 1119 CG2 ILE A1088 -12.581 35.776 -6.569 1.00 25.50 C ATOM 1120 CD1 ILE A1088 -15.558 36.429 -5.841 1.00 26.83 C ATOM 1121 H ILE A1088 -14.365 33.082 -4.079 1.00 0.00 H ATOM 1122 N ILE A1089 -11.091 33.288 -4.449 1.00 24.51 N ATOM 1123 CA ILE A1089 -9.628 33.176 -4.216 1.00 25.37 C ATOM 1124 C ILE A1089 -9.173 31.760 -4.588 1.00 26.38 C ATOM 1125 O ILE A1089 -8.130 31.631 -5.261 1.00 26.89 O ATOM 1126 CB ILE A1089 -9.294 33.642 -2.786 1.00 28.87 C ATOM 1127 CG1 ILE A1089 -9.227 35.176 -2.773 1.00 30.41 C ATOM 1128 CG2 ILE A1089 -8.017 32.982 -2.281 1.00 30.25 C ATOM 1129 CD1 ILE A1089 -9.716 35.832 -1.506 1.00 35.66 C ATOM 1130 H ILE A1089 -11.731 33.430 -3.641 1.00 0.00 H ATOM 1131 N LYS A1090 -9.955 30.737 -4.262 1.00 28.27 N ATOM 1132 CA LYS A1090 -9.577 29.332 -4.608 1.00 31.60 C ATOM 1133 C LYS A1090 -9.429 29.192 -6.130 1.00 32.21 C ATOM 1134 O LYS A1090 -8.452 28.551 -6.585 1.00 32.53 O ATOM 1135 CB LYS A1090 -10.596 28.342 -4.043 1.00 33.94 C ATOM 1136 CG LYS A1090 -10.251 26.883 -4.322 1.00 40.93 C ATOM 1137 CD LYS A1090 -11.284 25.889 -3.850 1.00 46.70 C ATOM 1138 CE LYS A1090 -10.835 24.455 -4.049 1.00 54.27 C ATOM 1139 NZ LYS A1090 -11.880 23.509 -3.591 1.00 60.86 N ATOM 1140 HZ1 LYS A1090 -12.068 23.665 -2.580 1.00 0.00 H ATOM 1141 HZ2 LYS A1090 -12.752 23.667 -4.136 1.00 0.00 H ATOM 1142 HZ3 LYS A1090 -11.551 22.533 -3.737 1.00 0.00 H ATOM 1143 H LYS A1090 -10.846 30.916 -3.757 1.00 0.00 H ATOM 1144 N GLU A1091 -10.317 29.806 -6.910 1.00 31.20 N ATOM 1145 CA GLU A1091 -10.336 29.695 -8.394 1.00 31.51 C ATOM 1146 C GLU A1091 -9.302 30.616 -9.064 1.00 31.80 C ATOM 1147 O GLU A1091 -8.794 30.230 -10.130 1.00 34.06 O ATOM 1148 CB GLU A1091 -11.734 30.036 -8.926 1.00 36.54 C ATOM 1149 CG GLU A1091 -12.730 28.916 -8.740 1.00 46.16 C ATOM 1150 CD GLU A1091 -14.008 29.032 -9.559 1.00 57.80 C ATOM 1151 OE1 GLU A1091 -14.634 30.123 -9.537 1.00 58.99 O ATOM 1152 OE2 GLU A1091 -14.377 28.028 -10.219 1.00 64.97 O ATOM 1153 H GLU A1091 -11.040 30.398 -6.455 1.00 0.00 H ATOM 1154 N GLU A1092 -8.975 31.766 -8.483 1.00 27.27 N ATOM 1155 CA GLU A1092 -8.314 32.859 -9.240 1.00 26.88 C ATOM 1156 C GLU A1092 -6.955 33.268 -8.660 1.00 26.65 C ATOM 1157 O GLU A1092 -6.218 33.919 -9.397 1.00 29.57 O ATOM 1158 CB GLU A1092 -9.239 34.067 -9.309 1.00 26.72 C ATOM 1159 CG GLU A1092 -10.520 33.735 -10.016 1.00 27.89 C ATOM 1160 CD GLU A1092 -11.494 34.879 -10.156 1.00 30.23 C ATOM 1161 OE1 GLU A1092 -11.053 36.029 -10.195 1.00 28.49 O ATOM 1162 OE2 GLU A1092 -12.706 34.596 -10.221 1.00 28.76 O ATOM 1163 H GLU A1092 -9.187 31.903 -7.474 1.00 0.00 H ATOM 1164 N LEU A1093 -6.643 32.929 -7.412 1.00 26.34 N ATOM 1165 CA LEU A1093 -5.312 33.214 -6.816 1.00 27.06 C ATOM 1166 C LEU A1093 -4.349 32.077 -7.154 1.00 28.86 C ATOM 1167 O LEU A1093 -4.611 30.918 -6.783 1.00 28.53 O ATOM 1168 CB LEU A1093 -5.451 33.370 -5.306 1.00 29.53 C ATOM 1169 CG LEU A1093 -4.152 33.547 -4.524 1.00 33.14 C ATOM 1170 CD1 LEU A1093 -3.429 34.794 -4.975 1.00 31.97 C ATOM 1171 CD2 LEU A1093 -4.456 33.592 -3.039 1.00 34.49 C ATOM 1172 H LEU A1093 -7.358 32.446 -6.831 1.00 0.00 H ATOM 1173 N ASP A1094 -3.221 32.411 -7.756 1.00 30.61 N ATOM 1174 CA ASP A1094 -2.135 31.418 -7.949 1.00 31.84 C ATOM 1175 C ASP A1094 -1.452 31.177 -6.597 1.00 30.21 C ATOM 1176 O ASP A1094 -1.022 32.167 -5.955 1.00 30.11 O ATOM 1177 CB ASP A1094 -1.188 31.900 -9.037 1.00 33.59 C ATOM 1178 CG ASP A1094 -0.188 30.836 -9.448 1.00 39.59 C ATOM 1179 OD1 ASP A1094 0.524 30.297 -8.542 1.00 40.71 O ATOM 1180 OD2 ASP A1094 -0.133 30.540 -10.663 1.00 39.13 O ATOM 1181 H ASP A1094 -3.092 33.384 -8.100 1.00 0.00 H ATOM 1182 N GLU A1095 -1.305 29.918 -6.185 1.00 30.63 N ATOM 1183 CA GLU A1095 -0.727 29.568 -4.852 1.00 33.66 C ATOM 1184 C GLU A1095 0.726 30.059 -4.771 1.00 31.32 C ATOM 1185 O GLU A1095 1.173 30.408 -3.669 1.00 30.90 O ATOM 1186 CB GLU A1095 -0.771 28.060 -4.615 1.00 38.55 C ATOM 1187 CG GLU A1095 -2.176 27.540 -4.398 1.00 48.48 C ATOM 1188 CD GLU A1095 -2.240 26.059 -4.059 1.00 60.63 C ATOM 1189 OE1 GLU A1095 -1.160 25.398 -4.042 1.00 62.80 O ATOM 1190 OE2 GLU A1095 -3.369 25.566 -3.811 1.00 72.98 O ATOM 1191 H GLU A1095 -1.605 29.148 -6.817 1.00 0.00 H ATOM 1192 N ASP A1096 1.427 30.101 -5.900 1.00 29.56 N ATOM 1193 CA ASP A1096 2.845 30.548 -5.953 1.00 30.54 C ATOM 1194 C ASP A1096 2.917 32.068 -5.834 1.00 28.02 C ATOM 1195 O ASP A1096 3.932 32.587 -5.332 1.00 28.52 O ATOM 1196 CB ASP A1096 3.538 30.019 -7.198 1.00 32.15 C ATOM 1197 CG ASP A1096 3.765 28.517 -7.142 1.00 37.29 C ATOM 1198 OD1 ASP A1096 3.710 27.929 -6.031 1.00 37.88 O ATOM 1199 OD2 ASP A1096 3.961 27.955 -8.203 1.00 42.73 O ATOM 1200 H ASP A1096 0.964 29.809 -6.784 1.00 0.00 H ATOM 1201 N PHE A1097 1.871 32.779 -6.254 1.00 26.99 N ATOM 1202 CA PHE A1097 1.812 34.245 -6.072 1.00 28.30 C ATOM 1203 C PHE A1097 1.635 34.551 -4.580 1.00 27.44 C ATOM 1204 O PHE A1097 2.391 35.410 -4.045 1.00 28.16 O ATOM 1205 CB PHE A1097 0.704 34.864 -6.923 1.00 25.93 C ATOM 1206 CG PHE A1097 0.634 36.354 -6.744 1.00 26.37 C ATOM 1207 CD1 PHE A1097 1.464 37.195 -7.483 1.00 28.21 C ATOM 1208 CD2 PHE A1097 -0.189 36.904 -5.780 1.00 26.89 C ATOM 1209 CE1 PHE A1097 1.442 38.563 -7.265 1.00 27.38 C ATOM 1210 CE2 PHE A1097 -0.227 38.278 -5.582 1.00 26.58 C ATOM 1211 CZ PHE A1097 0.585 39.096 -6.326 1.00 26.20 C ATOM 1212 H PHE A1097 1.079 32.292 -6.720 1.00 0.00 H ATOM 1213 N GLU A1098 0.711 33.858 -3.919 1.00 29.06 N ATOM 1214 CA GLU A1098 0.481 33.999 -2.459 1.00 29.80 C ATOM 1215 C GLU A1098 1.781 33.641 -1.724 1.00 32.31 C ATOM 1216 O GLU A1098 2.159 34.380 -0.818 1.00 30.67 O ATOM 1217 CB GLU A1098 -0.671 33.124 -1.979 1.00 30.66 C ATOM 1218 CG GLU A1098 -0.906 33.180 -0.472 1.00 30.82 C ATOM 1219 CD GLU A1098 -1.230 34.534 0.176 1.00 35.45 C ATOM 1220 OE1 GLU A1098 -1.396 35.537 -0.560 1.00 35.20 O ATOM 1221 OE2 GLU A1098 -1.355 34.585 1.450 1.00 39.01 O ATOM 1222 H GLU A1098 0.122 33.186 -4.450 1.00 0.00 H ATOM 1223 N GLN A1099 2.452 32.565 -2.137 1.00 31.47 N ATOM 1224 CA GLN A1099 3.686 32.104 -1.442 1.00 31.94 C ATOM 1225 C GLN A1099 4.763 33.190 -1.569 1.00 31.61 C ATOM 1226 O GLN A1099 5.392 33.481 -0.551 1.00 34.65 O ATOM 1227 CB GLN A1099 4.106 30.733 -1.964 1.00 32.92 C ATOM 1228 CG GLN A1099 5.302 30.156 -1.205 1.00 36.39 C ATOM 1229 CD GLN A1099 4.979 29.881 0.240 1.00 39.69 C ATOM 1230 OE1 GLN A1099 3.850 29.538 0.584 1.00 41.70 O ATOM 1231 NE2 GLN A1099 5.964 30.043 1.106 1.00 39.94 N ATOM 1232 HE22 GLN A1099 6.906 30.334 0.774 1.00 0.00 H ATOM 1233 HE21 GLN A1099 5.798 29.879 2.119 1.00 0.00 H ATOM 1234 H GLN A1099 2.106 32.036 -2.963 1.00 0.00 H ATOM 1235 N LEU A1100 4.939 33.813 -2.739 1.00 29.06 N ATOM 1236 CA LEU A1100 5.887 34.939 -2.945 1.00 30.03 C ATOM 1237 C LEU A1100 5.546 36.091 -1.999 1.00 31.24 C ATOM 1238 O LEU A1100 6.477 36.635 -1.352 1.00 30.40 O ATOM 1239 CB LEU A1100 5.874 35.405 -4.403 1.00 28.70 C ATOM 1240 CG LEU A1100 6.738 36.620 -4.712 1.00 30.42 C ATOM 1241 CD1 LEU A1100 8.191 36.400 -4.306 1.00 33.57 C ATOM 1242 CD2 LEU A1100 6.637 36.992 -6.173 1.00 33.03 C ATOM 1243 H LEU A1100 4.379 33.490 -3.554 1.00 0.00 H ATOM 1244 N CYS A1101 4.279 36.519 -1.939 1.00 28.92 N ATOM 1245 CA CYS A1101 3.856 37.606 -1.019 1.00 30.59 C ATOM 1246 C CYS A1101 4.257 37.263 0.417 1.00 31.41 C ATOM 1247 O CYS A1101 4.755 38.166 1.097 1.00 34.53 O ATOM 1248 CB CYS A1101 2.353 37.848 -1.091 1.00 28.68 C ATOM 1249 SG CYS A1101 1.841 38.593 -2.656 1.00 29.55 S ATOM 1250 H CYS A1101 3.568 36.077 -2.556 1.00 0.00 H ATOM 1251 N GLU A1102 4.025 36.026 0.852 1.00 31.91 N ATOM 1252 CA GLU A1102 4.245 35.592 2.251 1.00 36.45 C ATOM 1253 C GLU A1102 5.760 35.687 2.489 1.00 36.97 C ATOM 1254 O GLU A1102 6.174 36.198 3.556 1.00 38.16 O ATOM 1255 CB GLU A1102 3.614 34.215 2.516 1.00 37.28 C ATOM 1256 CG GLU A1102 2.075 34.211 2.487 1.00 41.69 C ATOM 1257 CD GLU A1102 1.356 32.927 2.890 1.00 48.01 C ATOM 1258 OE1 GLU A1102 2.043 31.994 3.337 1.00 51.24 O ATOM 1259 OE2 GLU A1102 0.089 32.852 2.762 1.00 46.03 O ATOM 1260 H GLU A1102 3.669 35.325 0.171 1.00 0.00 H ATOM 1261 N GLU A1103 6.583 35.342 1.491 1.00 35.90 N ATOM 1262 CA GLU A1103 8.059 35.338 1.666 1.00 36.99 C ATOM 1263 C GLU A1103 8.603 36.774 1.685 1.00 39.47 C ATOM 1264 O GLU A1103 9.517 37.021 2.506 1.00 43.58 O ATOM 1265 CB GLU A1103 8.726 34.416 0.638 1.00 36.82 C ATOM 1266 CG GLU A1103 8.479 32.955 0.992 1.00 37.61 C ATOM 1267 CD GLU A1103 9.062 31.872 0.092 1.00 37.70 C ATOM 1268 OE1 GLU A1103 9.922 32.186 -0.756 1.00 37.28 O ATOM 1269 OE2 GLU A1103 8.647 30.694 0.264 1.00 39.10 O ATOM 1270 H GLU A1103 6.180 35.070 0.572 1.00 0.00 H ATOM 1271 N ILE A1104 8.075 37.692 0.876 1.00 35.81 N ATOM 1272 CA ILE A1104 8.487 39.122 0.924 1.00 38.25 C ATOM 1273 C ILE A1104 8.062 39.675 2.293 1.00 42.65 C ATOM 1274 O ILE A1104 8.908 40.317 2.946 1.00 44.06 O ATOM 1275 CB ILE A1104 7.931 39.951 -0.245 1.00 38.36 C ATOM 1276 CG1 ILE A1104 8.276 39.364 -1.623 1.00 36.69 C ATOM 1277 CG2 ILE A1104 8.423 41.386 -0.121 1.00 39.15 C ATOM 1278 CD1 ILE A1104 7.454 39.952 -2.757 1.00 36.06 C ATOM 1279 H ILE A1104 7.351 37.400 0.189 1.00 0.00 H ATOM 1280 N GLN A1105 6.832 39.388 2.735 1.00 42.10 N ATOM 1281 CA GLN A1105 6.289 39.844 4.052 1.00 47.26 C ATOM 1282 C GLN A1105 7.237 39.395 5.177 1.00 52.27 C ATOM 1283 O GLN A1105 7.663 40.270 5.959 1.00 57.00 O ATOM 1284 CB GLN A1105 4.864 39.333 4.299 1.00 47.51 C ATOM 1285 CG GLN A1105 4.210 39.933 5.544 1.00 49.79 C ATOM 1286 CD GLN A1105 2.870 39.326 5.894 1.00 52.95 C ATOM 1287 OE1 GLN A1105 2.716 38.107 5.959 1.00 53.90 O ATOM 1288 NE2 GLN A1105 1.884 40.174 6.159 1.00 51.48 N ATOM 1289 HE22 GLN A1105 2.048 41.199 6.095 1.00 0.00 H ATOM 1290 HE21 GLN A1105 0.947 39.814 6.431 1.00 0.00 H ATOM 1291 H GLN A1105 6.216 38.813 2.126 1.00 0.00 H ATOM 1292 N GLU A1106 7.569 38.100 5.243 1.00 54.45 N ATOM 1293 CA GLU A1106 8.420 37.489 6.306 1.00 60.64 C ATOM 1294 C GLU A1106 9.834 38.092 6.313 1.00 61.41 C ATOM 1295 O GLU A1106 10.465 38.052 7.387 1.00 63.48 O ATOM 1296 CB GLU A1106 8.580 35.982 6.106 1.00 64.55 C ATOM 1297 CG GLU A1106 7.367 35.161 6.479 1.00 70.04 C ATOM 1298 CD GLU A1106 7.611 33.666 6.348 1.00 77.88 C ATOM 1299 OE1 GLU A1106 8.324 33.109 7.215 1.00 84.22 O ATOM 1300 OE2 GLU A1106 7.115 33.063 5.365 1.00 78.85 O ATOM 1301 H GLU A1106 7.207 37.472 4.497 1.00 0.00 H ATOM 1302 N SER A1107 10.329 38.569 5.163 1.00 60.92 N ATOM 1303 CA SER A1107 11.698 39.124 4.966 1.00 66.70 C ATOM 1304 C SER A1107 11.791 40.559 5.499 1.00 72.09 C ATOM 1305 O SER A1107 12.927 41.062 5.623 1.00 69.05 O ATOM 1306 CB SER A1107 12.114 39.080 3.508 1.00 64.37 C ATOM 1307 OG SER A1107 11.509 40.137 2.766 1.00 60.68 O ATOM 1308 HG SER A1107 11.798 40.083 1.821 1.00 0.00 H ATOM 1309 H SER A1107 9.702 38.550 4.334 1.00 0.00 H ATOM 1310 N ARG A1108 10.651 41.207 5.758 1.00 75.77 N ATOM 1311 CA ARG A1108 10.571 42.616 6.234 1.00 83.12 C ATOM 1312 C ARG A1108 10.359 42.610 7.753 1.00 90.22 C ATOM 1313 O ARG A1108 9.281 42.287 8.254 1.00 96.94 O ATOM 1314 CB ARG A1108 9.475 43.360 5.463 1.00 80.07 C ATOM 1315 CG ARG A1108 9.761 43.428 3.969 1.00 78.58 C ATOM 1316 CD ARG A1108 8.815 44.276 3.145 1.00 75.07 C ATOM 1317 NE ARG A1108 9.329 44.381 1.782 1.00 72.52 N ATOM 1318 CZ ARG A1108 8.859 45.193 0.838 1.00 69.49 C ATOM 1319 NH1 ARG A1108 7.836 45.994 1.091 1.00 72.45 N ATOM 1320 NH2 ARG A1108 9.413 45.196 -0.364 1.00 66.03 N ATOM 1321 OXT ARG A1108 11.286 42.925 8.502 1.00 92.89 O ATOM 1322 HE ARG A1108 10.131 43.769 1.527 1.00 0.00 H ATOM 1323 HH12 ARG A1108 7.474 46.626 0.348 1.00 0.00 H ATOM 1324 HH11 ARG A1108 7.394 45.992 2.032 1.00 0.00 H ATOM 1325 HH22 ARG A1108 9.048 45.830 -1.103 1.00 0.00 H ATOM 1326 HH21 ARG A1108 10.214 44.565 -0.569 1.00 0.00 H ATOM 1327 H ARG A1108 9.759 40.692 5.617 1.00 0.00 H TER 1328 ARG A1108 HETATM 1329 O HOH 1 -0.625 42.327 5.500 1.00 40.67 O HETATM 1330 O HOH 2 -8.837 34.549 8.482 1.00 55.26 O HETATM 1331 O HOH 3 -2.762 51.726 -13.013 1.00 55.13 O HETATM 1332 O HOH 4 -30.323 40.046 17.712 1.00 57.90 O HETATM 1333 O HOH 5 -14.306 43.292 -10.057 1.00 49.29 O HETATM 1334 O HOH 6 -16.115 39.412 15.457 1.00 38.54 O HETATM 1335 O HOH 7 -37.753 29.397 13.525 1.00 36.24 O HETATM 1336 O HOH 8 11.431 35.655 3.398 1.00 45.60 O HETATM 1337 O HOH 9 -14.243 32.605 -10.194 1.00 44.04 O HETATM 1338 O HOH 10 -18.680 43.093 23.045 1.00 58.00 O HETATM 1339 O HOH 11 -23.443 37.033 20.194 1.00 49.77 O HETATM 1340 O HOH 12 3.224 51.059 -5.979 1.00 66.28 O HETATM 1341 O HOH 13 -9.077 54.644 -0.819 1.00 45.08 O HETATM 1342 O HOH 14 12.224 39.694 0.331 1.00 59.08 O HETATM 1343 O HOH 15 -5.879 29.128 -5.399 1.00 59.41 O HETATM 1344 O HOH 16 -12.110 48.381 13.085 1.00 54.64 O HETATM 1345 O HOH 17 -16.908 49.151 9.683 1.00 46.02 O HETATM 1346 O HOH 18 -21.752 28.700 4.816 1.00 61.35 O HETATM 1347 O HOH 19 -22.660 54.191 7.095 1.00 65.57 O HETATM 1348 O HOH 20 -27.011 38.481 -5.633 1.00 51.54 O HETATM 1349 O HOH 21 -20.651 40.266 -8.190 1.00 41.11 O HETATM 1350 O HOH 22 4.089 27.671 -3.451 1.00 48.74 O HETATM 1351 O HOH 23 -9.751 52.378 -4.619 1.00 51.20 O HETATM 1352 O HOH 24 0.655 36.816 -11.470 1.00 31.61 O HETATM 1353 O HOH 25 -24.210 45.286 -2.622 1.00 35.22 O HETATM 1354 O HOH 26 -29.930 44.168 -1.001 1.00 51.48 O HETATM 1355 O HOH 27 -25.639 49.987 3.437 1.00 65.13 O HETATM 1356 O HOH 28 -5.251 38.519 -10.927 1.00 27.56 O HETATM 1357 O HOH 29 -34.675 34.833 7.516 1.00 34.58 O HETATM 1358 O HOH 30 -18.937 35.581 15.724 1.00 47.87 O HETATM 1359 O HOH 31 1.452 30.656 0.829 1.00 58.55 O HETATM 1360 O HOH 32 11.188 48.104 -2.497 1.00 63.19 O HETATM 1361 O HOH 33 0.296 29.678 -1.266 1.00 51.92 O HETATM 1362 O HOH 34 -23.139 50.851 -0.341 1.00 62.02 O HETATM 1363 O HOH 35 -29.933 34.702 20.609 1.00 61.53 O HETATM 1364 O HOH 36 -8.358 44.532 10.921 1.00 43.81 O HETATM 1365 O HOH 37 9.547 28.891 2.026 1.00 47.55 O HETATM 1366 O HOH 38 -9.270 39.565 -8.973 1.00 38.29 O HETATM 1367 O HOH 39 -5.713 41.620 8.398 1.00 47.14 O HETATM 1368 O HOH 40 0.093 36.573 5.942 1.00 42.06 O HETATM 1369 O HOH 41 -9.082 27.799 -11.284 1.00 50.59 O HETATM 1370 O HOH 42 -6.630 34.527 6.955 1.00 46.57 O HETATM 1371 O HOH 43 -26.660 32.254 16.667 1.00 59.54 O HETATM 1372 O HOH 44 -32.102 41.137 8.207 1.00 51.05 O HETATM 1373 O HOH 45 -15.965 28.846 -0.210 1.00 33.64 O HETATM 1374 O HOH 46 -10.577 37.577 11.535 1.00 34.96 O HETATM 1375 O HOH 47 -12.631 41.512 17.147 1.00 56.32 O HETATM 1376 O HOH 48 -14.990 42.743 16.461 1.00 35.63 O HETATM 1377 O HOH 49 -29.881 44.394 1.556 1.00 57.01 O HETATM 1378 O HOH 50 11.878 34.036 -1.270 1.00 35.79 O HETATM 1379 O HOH 51 -21.908 33.535 -4.391 1.00 41.73 O HETATM 1380 O HOH 52 -8.586 46.057 -9.411 1.00 22.78 O HETATM 1381 O HOH 53 -21.897 48.549 -3.749 1.00 49.24 O HETATM 1382 O HOH 54 -1.231 32.014 -12.706 1.00 46.15 O HETATM 1383 O HOH 55 -12.945 36.763 12.741 1.00 39.65 O HETATM 1384 O HOH 56 -13.230 49.162 20.075 1.00 54.32 O HETATM 1385 O HOH 57 -22.387 52.883 16.602 1.00 61.20 O HETATM 1386 O HOH 58 -27.527 42.955 2.285 1.00 35.39 O HETATM 1387 O HOH 59 -16.016 31.494 -7.570 1.00 55.71 O HETATM 1388 O HOH 60 -13.176 49.550 10.177 1.00 62.01 O HETATM 1389 O HOH 61 1.807 28.570 -10.442 1.00 59.74 O HETATM 1390 O HOH 62 -17.292 37.010 17.354 1.00 55.92 O HETATM 1391 O HOH 63 -18.444 45.099 11.357 1.00 38.48 O HETATM 1392 O HOH 64 2.612 47.517 -11.440 1.00 49.80 O HETATM 1393 O HOH 65 -6.488 36.131 -11.069 1.00 32.24 O HETATM 1394 O HOH 66 -13.672 27.919 -5.817 1.00 47.66 O HETATM 1395 O HOH 67 -13.116 53.878 4.796 1.00 51.71 O HETATM 1396 O HOH 68 3.812 48.418 -4.223 1.00 41.20 O HETATM 1397 O HOH 69 -8.465 41.119 17.836 1.00 58.73 O HETATM 1398 O HOH 70 5.524 39.185 -8.906 1.00 46.37 O HETATM 1399 O HOH 71 -17.321 35.665 -9.298 1.00 56.68 O HETATM 1400 O HOH 72 -15.506 53.469 5.084 1.00 53.01 O HETATM 1401 O HOH 73 -35.441 36.582 18.056 1.00 57.62 O HETATM 1402 O HOH 74 -25.361 46.407 -6.485 1.00 61.02 O HETATM 1403 O HOH 75 -37.065 39.168 12.240 1.00 50.48 O HETATM 1404 O HOH 76 8.992 40.048 -6.229 1.00 49.67 O HETATM 1405 O HOH 77 -16.121 42.497 19.097 1.00 41.11 O HETATM 1406 O HOH 78 -1.573 34.992 -11.311 1.00 48.58 O HETATM 1407 O HOH 79 -26.573 41.159 -7.221 1.00 47.14 O HETATM 1408 O HOH 80 -24.273 33.553 15.971 1.00 53.60 O HETATM 1409 O HOH 81 -13.700 53.090 0.555 1.00 45.11 O HETATM 1410 O HOH 82 -2.406 27.862 -7.859 1.00 41.63 O HETATM 1411 O HOH 83 -18.367 31.080 5.931 1.00 55.17 O HETATM 1412 O HOH 84 -27.114 33.250 -0.769 1.00 39.50 O HETATM 1413 O HOH 85 -29.198 41.984 16.374 1.00 78.86 O HETATM 1414 O HOH 86 -15.521 34.176 10.177 1.00 47.11 O HETATM 1415 O HOH 87 -8.023 47.911 10.642 1.00 50.11 O HETATM 1416 O HOH 88 -9.784 29.739 -0.739 1.00 41.65 O HETATM 1417 O HOH 89 0.326 46.673 -0.434 1.00 30.83 O HETATM 1418 O HOH 90 -17.674 48.904 -5.641 1.00 62.60 O HETATM 1419 O HOH 91 -7.655 32.524 5.822 1.00 49.03 O HETATM 1420 O HOH 92 -1.601 38.815 -13.673 1.00 25.36 O HETATM 1421 O HOH 93 -20.430 38.170 -5.414 1.00 43.97 O HETATM 1422 O HOH 94 -18.291 49.105 -0.437 1.00 53.34 O HETATM 1423 O HOH 95 -29.133 31.493 8.491 1.00 54.85 O HETATM 1424 O HOH 96 -7.438 54.631 1.560 1.00 40.30 O HETATM 1425 O HOH 97 -24.805 31.102 3.415 1.00 39.46 O HETATM 1426 O HOH 98 0.441 34.964 9.442 1.00 74.74 O HETATM 1427 O HOH 99 -36.475 32.491 11.506 1.00 39.54 O HETATM 1428 O HOH 100 -28.932 29.917 11.772 1.00 63.08 O HETATM 1429 O HOH 101 -2.899 46.492 0.618 1.00 28.37 O HETATM 1430 O HOH 102 2.373 42.914 7.143 1.00 64.37 O HETATM 1431 O HOH 103 -2.450 52.229 -3.539 1.00 54.76 O HETATM 1432 O HOH 104 -30.881 30.182 14.958 1.00 54.83 O HETATM 1433 O HOH 105 -18.110 38.121 -9.663 1.00 43.96 O HETATM 1434 O HOH 106 -22.890 30.339 1.385 1.00 62.24 O HETATM 1435 O HOH 107 -0.771 54.310 0.576 1.00 63.70 O HETATM 1436 O HOH 108 -3.257 54.626 -2.706 1.00 47.15 O HETATM 1437 O HOH 109 -13.809 47.837 25.061 1.00 56.56 O HETATM 1438 O HOH 110 0.275 27.301 -8.425 1.00 64.17 O HETATM 1439 O HOH 111 -15.617 28.572 2.693 1.00 61.33 O HETATM 1440 O HOH 112 -26.420 41.648 20.048 1.00 60.90 O HETATM 1441 O HOH 113 -30.357 31.271 17.221 1.00 63.04 O HETATM 1442 O HOH 114 7.728 40.861 -9.862 1.00 60.24 O HETATM 1443 O HOH 115 -33.222 33.294 19.918 1.00 43.33 O HETATM 1444 O HOH 116 6.221 26.055 -6.810 1.00 63.36 O HETATM 1445 O HOH 117 10.158 33.462 4.326 1.00 61.17 O HETATM 1446 O HOH 118 7.490 42.450 -11.985 1.00 72.11 O HETATM 1447 O HOH 119 -24.957 31.126 11.853 1.00 62.83 O HETATM 1448 O HOH 120 -4.732 32.145 -11.685 1.00 56.73 O HETATM 1449 O HOH 121 -4.100 43.784 7.801 1.00 65.83 O HETATM 1450 O HOH 122 -16.152 48.443 -1.463 1.00 48.54 O HETATM 1451 O HOH 123 -21.807 31.389 -1.112 1.00 58.21 O HETATM 1452 O HOH 124 -11.554 49.517 16.005 1.00 50.85 O HETATM 1453 O HOH 125 -40.956 34.444 13.706 1.00 65.28 O HETATM 1454 O HOH 126 -19.179 47.839 10.582 1.00 52.16 O HETATM 1455 O HOH 127 -9.484 35.018 11.065 1.00 45.50 O HETATM 1456 O HOH 128 1.457 53.600 1.549 1.00 62.12 O HETATM 1457 O HOH 129 4.289 49.981 1.555 1.00 56.00 O HETATM 1458 O HOH 130 -11.709 54.377 -0.584 1.00 56.78 O HETATM 1459 O HOH 131 -11.268 46.707 -9.116 1.00 34.51 O HETATM 1460 O HOH 132 2.865 47.488 0.135 1.00 42.17 O HETATM 1461 O HOH 133 -31.561 42.196 -1.525 1.00 58.15 O HETATM 1462 O HOH 134 -13.839 27.759 -1.467 1.00 39.63 O HETATM 1463 O HOH 135 -19.794 30.221 -2.545 1.00 54.02 O HETATM 1464 O HOH 136 -15.548 48.079 -4.376 1.00 57.54 O HETATM 1465 O HOH 137 -5.136 55.895 0.498 1.00 44.29 O HETATM 1466 O HOH 138 -12.610 48.583 -7.440 1.00 56.73 O HETATM 1467 O HOH 139 -13.633 28.324 4.344 1.00 70.25 O HETATM 1468 O HOH 140 -20.159 49.487 -9.894 1.00 62.09 O HETATM 1469 O HOH 141 -9.644 51.916 7.174 1.00 68.60 O HETATM 1470 O HOH 142 -18.382 27.912 -1.434 1.00 55.88 O HETATM 1471 O HOH 143 -25.700 31.115 -0.251 1.00 46.64 O HETATM 1472 O HOH 144 -9.384 39.484 13.143 1.00 61.49 O HETATM 1473 O HOH 145 -7.272 29.494 -1.623 1.00 58.91 O HETATM 1474 O HOH 146 -17.578 33.247 11.206 1.00 60.67 O HETATM 1475 O HOH 147 -0.567 38.579 11.956 1.00 63.05 O HETATM 1476 O HOH 148 -24.243 30.867 -4.454 1.00 64.26 O HETATM 1477 O HOH 149 -7.153 40.597 -10.565 1.00 29.56 O HETATM 1478 O HOH 150 5.643 38.228 8.789 1.00 67.32 O HETATM 1479 O HOH 151 -26.656 29.144 12.606 1.00 75.80 O HETATM 1480 O HOH 152 -15.365 51.934 -1.469 1.00 61.79 O HETATM 1481 O HOH 153 -4.821 32.436 1.241 1.00 61.46 O HETATM 1482 O HOH 154 -13.356 38.970 16.303 1.00 57.80 O HETATM 1483 O HOH 155 -13.450 33.985 12.293 1.00 63.52 O HETATM 1484 O HOH 156 -11.254 27.470 -0.013 1.00 49.87 O HETATM 1485 O HOH 157 -12.039 26.000 -7.161 1.00 55.43 O HETATM 1486 O HOH 158 6.730 45.823 5.137 1.00 65.37 O HETATM 1487 O HOH 159 4.178 51.899 -3.741 1.00 64.74 O HETATM 1488 O HOH 160 -14.663 26.686 -3.687 1.00 45.67 O HETATM 1489 O HOH 161 -17.982 32.772 -6.596 1.00 62.87 O HETATM 1490 O HOH 162 -19.324 30.948 -4.894 1.00 64.56 O HETATM 1491 O HOH 163 -18.949 50.724 13.626 1.00 65.02 O HETATM 1492 O HOH 164 -6.853 51.099 8.433 1.00 61.55 O HETATM 1493 O HOH 165 -11.917 56.261 5.930 1.00 65.13 O HETATM 1494 O HOH 166 -2.745 29.924 -1.884 1.00 51.96 O HETATM 1495 O HOH 167 -26.213 46.675 -3.956 1.00 51.69 O HETATM 1496 O HOH 168 -17.647 33.623 13.976 1.00 57.76 O HETATM 1497 O HOH 169 5.421 48.189 -1.990 1.00 59.40 O HETATM 1498 O HOH 170 15.838 39.116 -9.819 1.00 74.17 O HETATM 1499 O HOH 171 -35.263 32.438 9.026 1.00 35.92 O HETATM 1500 O HOH 172 -19.936 49.835 -2.373 1.00 59.30 O HETATM 1501 O HOH 173 -29.649 45.909 8.234 1.00 65.57 O HETATM 1502 O HOH 174 -21.149 55.314 4.868 1.00 77.66 O HETATM 1503 O HOH 175 -3.119 57.270 1.182 1.00 54.70 O HETATM 1504 O HOH 176 -19.274 36.265 -7.354 1.00 50.13 O HETATM 1505 O HOH 177 -17.382 54.670 10.551 1.00 63.87 O HETATM 1506 O HOH 178 -17.659 26.804 -3.680 1.00 62.16 O HETATM 1507 O HOH 179 -14.366 51.847 -3.993 1.00 60.35 O HETATM 1508 C10 KVT A 180 -22.714 46.885 8.441 1.00 0.06 C HETATM 1509 C08 KVT A 180 -21.402 46.578 8.108 1.00 -0.05 C HETATM 1510 C06 KVT A 180 -20.823 45.409 8.568 1.00 -0.07 C HETATM 1511 C05 KVT A 180 -21.511 44.496 9.366 1.00 -0.03 C HETATM 1512 C01 KVT A 180 -20.816 43.240 9.822 1.00 -0.04 C HETATM 1513 H9 KVT A 180 -19.786 43.230 9.436 1.00 0.04 H HETATM 1514 H10 KVT A 180 -21.359 42.362 9.442 1.00 0.04 H HETATM 1515 H11 KVT A 180 -20.795 43.211 10.921 1.00 0.04 H HETATM 1516 C36 KVT A 180 -22.842 44.820 9.687 1.00 0.10 C HETATM 1517 C34 KVT A 180 -23.432 45.991 9.228 1.00 -0.02 C HETATM 1518 H16 KVT A 180 -24.462 46.210 9.486 1.00 0.05 H HETATM 1519 S37 KVT A 180 -23.837 43.745 10.692 1.00 0.06 S HETATM 1520 O38 KVT A 180 -23.134 43.522 11.916 1.00 -0.15 O HETATM 1521 O39 KVT A 180 -24.214 42.632 9.881 1.00 -0.15 O HETATM 1522 N40 KVT A 180 -25.214 44.532 11.081 1.00 -0.24 N HETATM 1523 C41 KVT A 180 -25.164 45.518 12.180 1.00 0.03 C HETATM 1524 C44 KVT A 180 -26.442 46.303 12.407 1.00 -0.04 C HETATM 1525 C47 KVT A 180 -27.668 45.461 12.690 1.00 -0.05 C HETATM 1526 C50 KVT A 180 -28.403 44.976 11.469 1.00 -0.05 C HETATM 1527 C53 KVT A 180 -27.599 44.099 10.534 1.00 -0.04 C HETATM 1528 C56 KVT A 180 -26.280 44.658 10.067 1.00 0.03 C HETATM 1529 H27 KVT A 180 -25.970 44.116 9.161 1.00 0.05 H HETATM 1530 H28 KVT A 180 -26.414 45.724 9.829 1.00 0.05 H HETATM 1531 H25 KVT A 180 -28.215 43.904 9.644 1.00 0.03 H HETATM 1532 H26 KVT A 180 -27.396 43.151 11.054 1.00 0.03 H HETATM 1533 H23 KVT A 180 -28.739 45.857 10.903 1.00 0.03 H HETATM 1534 H24 KVT A 180 -29.278 44.401 11.806 1.00 0.03 H HETATM 1535 H21 KVT A 180 -28.365 46.064 13.290 1.00 0.03 H HETATM 1536 H22 KVT A 180 -27.351 44.581 13.269 1.00 0.03 H HETATM 1537 H19 KVT A 180 -26.640 46.901 11.505 1.00 0.03 H HETATM 1538 H20 KVT A 180 -26.283 46.973 13.264 1.00 0.03 H HETATM 1539 H17 KVT A 180 -24.360 46.235 11.957 1.00 0.05 H HETATM 1540 H18 KVT A 180 -24.927 44.979 13.109 1.00 0.05 H HETATM 1541 H12 KVT A 180 -19.795 45.195 8.298 1.00 0.05 H HETATM 1542 H13 KVT A 180 -20.829 47.256 7.486 1.00 0.05 H HETATM 1543 N11 KVT A 180 -23.264 48.094 7.942 1.00 -0.24 N HETATM 1544 C13 KVT A 180 -24.545 48.530 8.004 1.00 0.23 C HETATM 1545 C15 KVT A 180 -24.781 49.881 7.352 1.00 0.15 C HETATM 1546 N18 KVT A 180 -26.142 50.368 7.512 1.00 -0.15 N HETATM 1547 C19 KVT A 180 -26.578 51.153 8.574 1.00 0.29 C HETATM 1548 O20 KVT A 180 -25.888 51.536 9.510 1.00 -0.39 O HETATM 1549 N21 KVT A 180 -27.895 51.406 8.378 1.00 -0.26 N HETATM 1550 C23 KVT A 180 -28.415 50.789 7.155 1.00 0.13 C HETATM 1551 C24 KVT A 180 -29.498 49.757 7.479 1.00 -0.03 C HETATM 1552 H3 KVT A 180 -29.870 49.310 6.545 1.00 0.02 H HETATM 1553 H4 KVT A 180 -30.328 50.250 8.006 1.00 0.02 H HETATM 1554 H5 KVT A 180 -29.074 48.969 8.119 1.00 0.02 H HETATM 1555 C28 KVT A 180 -28.916 51.850 6.172 1.00 -0.03 C HETATM 1556 H6 KVT A 180 -28.110 52.569 5.967 1.00 0.02 H HETATM 1557 H7 KVT A 180 -29.776 52.378 6.609 1.00 0.02 H HETATM 1558 H8 KVT A 180 -29.222 51.365 5.233 1.00 0.02 H HETATM 1559 C32 KVT A 180 -27.162 50.106 6.625 1.00 0.26 C HETATM 1560 O33 KVT A 180 -27.063 49.444 5.608 1.00 -0.33 O HETATM 1561 H15 KVT A 180 -28.452 51.955 9.001 1.00 0.18 H HETATM 1562 H1 KVT A 180 -24.566 49.792 6.277 1.00 0.08 H HETATM 1563 H2 KVT A 180 -24.094 50.611 7.804 1.00 0.08 H HETATM 1564 O14 KVT A 180 -25.463 47.917 8.541 1.00 -0.38 O HETATM 1565 H14 KVT A 180 -22.620 48.706 7.483 1.00 0.22 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1508 1509 1517 1543 CONECT 1509 1508 1510 1542 CONECT 1510 1509 1511 1541 CONECT 1511 1510 1512 1516 CONECT 1512 1511 1513 1514 1515 CONECT 1513 1512 CONECT 1514 1512 CONECT 1515 1512 CONECT 1516 1511 1517 1519 CONECT 1517 1508 1516 1518 CONECT 1518 1517 CONECT 1519 1516 1520 1521 1522 CONECT 1520 1519 CONECT 1521 1519 CONECT 1522 1519 1523 1528 CONECT 1523 1522 1524 1539 1540 CONECT 1524 1523 1525 1537 1538 CONECT 1525 1524 1526 1535 1536 CONECT 1526 1525 1527 1533 1534 CONECT 1527 1526 1528 1531 1532 CONECT 1528 1522 1527 1529 1530 CONECT 1529 1528 CONECT 1530 1528 CONECT 1531 1527 CONECT 1532 1527 CONECT 1533 1526 CONECT 1534 1526 CONECT 1535 1525 CONECT 1536 1525 CONECT 1537 1524 CONECT 1538 1524 CONECT 1539 1523 CONECT 1540 1523 CONECT 1541 1510 CONECT 1542 1509 CONECT 1543 1508 1544 1565 CONECT 1544 1543 1545 1564 CONECT 1545 1544 1546 1562 1563 CONECT 1546 1545 1547 1559 CONECT 1547 1546 1548 1549 CONECT 1548 1547 CONECT 1549 1547 1550 1561 CONECT 1550 1549 1551 1555 1559 CONECT 1551 1550 1552 1553 1554 CONECT 1552 1551 CONECT 1553 1551 CONECT 1554 1551 CONECT 1555 1550 1556 1557 1558 CONECT 1556 1555 CONECT 1557 1555 CONECT 1558 1555 CONECT 1559 1546 1550 1560 CONECT 1560 1559 CONECT 1561 1549 CONECT 1562 1545 CONECT 1563 1545 CONECT 1564 1544 CONECT 1565 1543 MASTER 0 0 0 0 0 0 0 0 1564 1 62 10 END
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Structure:
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Related entries of code: 6s57
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130aa, >5A5Q_1|Chain... at 100%
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Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
6s57
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human ATAD2 bromodomain
Ligand Name
KVT
EC.Number
E.C.3.6.1.3
Resolution
1.82(Å)
Affinity (Kd/Ki/IC50)
Kd=8uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 7506-7525
Ligand Properties
Formula
C
2
0
H
2
8
N
4
O
5
S
Molecular Weight
436.525
Exact Mass
436.178
No. of atoms
58
No. of bonds
60
Polar Surface Area
124.27
LOGP Value
1.35 (
Computed with XLOGP3
)
3.19 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 5
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 9
No. of Rings: 3
Canonical SMILES
O=C(CN1C(=O)NC(C1=O)(C)C)Nc1ccc(c(c1)S(=O)(=O)N1CCCCCC1)C
InChI String
InChI=1S/C20H28N4O5S/c1-14-8-9-15(12-16(14)30(28,29)23-10-6-4-5-7-11-23)21-17(25)13-24-18(26)20(2,3)22-19(24)27/h8-9,12H,4-7,10-11,13H2,1-3H3,(H,21,25)(H,22,27)
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q6PL18
Entrez Gene ID
NCBI Entrez Gene ID:
29028
ASD
Information of known allosteric effects of PDB entries
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