Browse entries in the PDBbind-CN Database
HEADER 5LPM_COMPLEX COMPND 5LPM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 116 SER MET ILE PHE LYS PRO GLU GLU LEU ARG GLN ALA LEU SEQRES 2 A 116 MET PRO THR LEU GLU ALA LEU TYR ARG GLN ASP PRO GLU SEQRES 3 A 116 SER LEU PRO PHE ARG GLN PRO VAL ASP PRO GLN LEU LEU SEQRES 4 A 116 GLY ILE PRO ASP TYR PHE ASP ILE VAL LYS SER PRO MET SEQRES 5 A 116 ASP LEU SER THR ILE LYS ARG LYS LEU ASP THR GLY GLN SEQRES 6 A 116 TYR GLN GLU PRO TRP GLN TYR VAL ASP ASP ILE TRP LEU SEQRES 7 A 116 MET PHE ASN ASN ALA TRP LEU TYR ASN ARG LYS THR SER SEQRES 8 A 116 ARG VAL TYR LYS TYR CYS SER LYS LEU SER GLU VAL PHE SEQRES 9 A 116 GLU GLN GLU ILE ASP PRO VAL MET GLN SER LEU GLY HET UNN A 293 49 ATOM 1 N SER A1046 43.277 38.221 27.184 1.00 32.36 N ATOM 2 CA SER A1046 44.416 37.473 26.659 1.00 27.92 C ATOM 3 C SER A1046 45.099 38.259 25.535 1.00 30.78 C ATOM 4 O SER A1046 44.639 39.346 25.141 1.00 30.49 O ATOM 5 CB SER A1046 43.978 36.091 26.151 1.00 33.44 C ATOM 6 OG SER A1046 42.872 36.218 25.283 1.00 40.44 O ATOM 7 HG SER A1046 42.600 35.321 24.963 1.00 0.00 H ATOM 8 HN3 SER A1046 42.591 38.386 26.420 1.00 0.00 H ATOM 9 HN2 SER A1046 43.606 39.133 27.560 1.00 0.00 H ATOM 10 HN1 SER A1046 42.826 37.674 27.945 1.00 0.00 H ATOM 11 N MET A1047 46.191 37.698 25.027 1.00 28.37 N ATOM 12 CA MET A1047 46.949 38.337 23.964 1.00 22.45 C ATOM 13 C MET A1047 46.298 38.091 22.622 1.00 22.23 C ATOM 14 O MET A1047 45.660 37.059 22.398 1.00 21.83 O ATOM 15 CB MET A1047 48.382 37.807 23.917 1.00 24.21 C ATOM 16 CG MET A1047 49.248 38.290 25.081 1.00 25.90 C ATOM 17 SD MET A1047 50.898 37.610 24.978 1.00 25.42 S ATOM 18 CE MET A1047 50.582 35.856 25.142 1.00 22.62 C ATOM 19 H MET A1047 46.511 36.781 25.398 1.00 0.00 H ATOM 20 N ILE A1048 46.520 39.015 21.708 1.00 20.44 N ATOM 21 CA ILE A1048 46.156 38.820 20.308 1.00 19.13 C ATOM 22 C ILE A1048 47.155 37.902 19.628 1.00 18.82 C ATOM 23 O ILE A1048 48.371 37.994 19.883 1.00 20.05 O ATOM 24 CB ILE A1048 46.113 40.176 19.596 1.00 20.43 C ATOM 25 CG1 ILE A1048 45.031 41.050 20.223 1.00 23.77 C ATOM 26 CG2 ILE A1048 45.909 39.984 18.108 1.00 27.19 C ATOM 27 CD1 ILE A1048 43.628 40.504 20.120 1.00 32.40 C ATOM 28 H ILE A1048 46.968 39.909 21.993 1.00 0.00 H ATOM 29 N PHE A1049 46.646 37.010 18.759 1.00 17.76 N ATOM 30 CA PHE A1049 47.486 36.148 17.934 1.00 17.27 C ATOM 31 C PHE A1049 47.061 36.297 16.488 1.00 22.53 C ATOM 32 O PHE A1049 45.863 36.268 16.187 1.00 23.73 O ATOM 33 CB PHE A1049 47.390 34.665 18.343 1.00 16.64 C ATOM 34 CG PHE A1049 47.895 34.393 19.727 1.00 17.65 C ATOM 35 CD1 PHE A1049 47.067 34.623 20.820 1.00 17.98 C ATOM 36 CD2 PHE A1049 49.181 33.922 19.932 1.00 20.23 C ATOM 37 CE1 PHE A1049 47.504 34.383 22.104 1.00 19.78 C ATOM 38 CE2 PHE A1049 49.644 33.723 21.217 1.00 20.50 C ATOM 39 CZ PHE A1049 48.780 33.941 22.300 1.00 18.10 C ATOM 40 H PHE A1049 45.613 36.932 18.672 1.00 0.00 H ATOM 41 N LYS A1050 48.045 36.482 15.605 1.00 22.69 N ATOM 42 CA LYS A1050 47.709 36.566 14.191 1.00 19.53 C ATOM 43 C LYS A1050 47.774 35.175 13.556 1.00 18.71 C ATOM 44 O LYS A1050 48.514 34.308 14.033 1.00 19.83 O ATOM 45 CB LYS A1050 48.676 37.509 13.477 1.00 20.81 C ATOM 46 CG LYS A1050 48.698 38.956 14.066 1.00 24.80 C ATOM 47 CD LYS A1050 49.661 39.857 13.326 1.00 37.35 C ATOM 48 CE LYS A1050 49.497 41.309 13.794 1.00 41.27 C ATOM 49 NZ LYS A1050 50.603 42.181 13.296 1.00 46.94 N ATOM 50 HZ1 LYS A1050 51.512 41.823 13.652 1.00 0.00 H ATOM 51 HZ2 LYS A1050 50.609 42.171 12.256 1.00 0.00 H ATOM 52 HZ3 LYS A1050 50.455 43.153 13.634 1.00 0.00 H ATOM 53 H LYS A1050 49.032 36.564 15.921 1.00 0.00 H ATOM 54 N PRO A1051 46.999 34.950 12.494 1.00 20.27 N ATOM 55 CA PRO A1051 47.004 33.624 11.847 1.00 17.23 C ATOM 56 C PRO A1051 48.376 33.141 11.415 1.00 21.55 C ATOM 57 O PRO A1051 48.689 31.955 11.607 1.00 17.12 O ATOM 58 CB PRO A1051 46.050 33.808 10.659 1.00 22.79 C ATOM 59 CG PRO A1051 45.108 34.892 11.118 1.00 22.00 C ATOM 60 CD PRO A1051 45.939 35.833 11.955 1.00 20.89 C ATOM 61 N GLU A1052 49.222 34.004 10.849 1.00 23.49 N ATOM 62 CA GLU A1052 50.538 33.532 10.429 1.00 19.49 C ATOM 63 C GLU A1052 51.398 33.122 11.625 1.00 19.72 C ATOM 64 O GLU A1052 52.217 32.202 11.527 1.00 20.39 O ATOM 65 CB GLU A1052 51.227 34.631 9.609 1.00 22.01 C ATOM 66 CG GLU A1052 51.388 35.926 10.382 1.00 31.70 C ATOM 67 CD GLU A1052 50.261 36.939 10.145 1.00 44.04 C ATOM 68 OE1 GLU A1052 50.587 38.153 10.089 1.00 50.41 O ATOM 69 OE2 GLU A1052 49.068 36.553 10.007 1.00 33.82 O ATOM 70 H GLU A1052 48.948 34.997 10.709 1.00 0.00 H ATOM 71 N GLU A1053 51.277 33.835 12.750 1.00 17.88 N ATOM 72 CA GLU A1053 51.992 33.484 13.969 1.00 18.85 C ATOM 73 C GLU A1053 51.569 32.120 14.489 1.00 17.05 C ATOM 74 O GLU A1053 52.398 31.327 14.944 1.00 18.39 O ATOM 75 CB GLU A1053 51.710 34.563 15.018 1.00 21.09 C ATOM 76 CG GLU A1053 52.118 34.275 16.407 1.00 20.65 C ATOM 77 CD GLU A1053 51.585 35.371 17.346 1.00 27.15 C ATOM 78 OE1 GLU A1053 51.952 35.326 18.518 1.00 31.12 O ATOM 79 OE2 GLU A1053 50.805 36.248 16.885 1.00 34.28 O ATOM 80 H GLU A1053 50.652 34.667 12.754 1.00 0.00 H ATOM 81 N LEU A1054 50.267 31.839 14.461 1.00 17.51 N ATOM 82 CA LEU A1054 49.803 30.528 14.906 1.00 14.95 C ATOM 83 C LEU A1054 50.267 29.418 13.972 1.00 16.86 C ATOM 84 O LEU A1054 50.544 28.297 14.423 1.00 15.73 O ATOM 85 CB LEU A1054 48.280 30.539 15.063 1.00 14.50 C ATOM 86 CG LEU A1054 47.815 31.479 16.187 1.00 14.82 C ATOM 87 CD1 LEU A1054 46.299 31.580 16.138 1.00 22.29 C ATOM 88 CD2 LEU A1054 48.336 31.030 17.579 1.00 18.66 C ATOM 89 H LEU A1054 49.586 32.549 14.124 1.00 0.00 H ATOM 90 N ARG A1055 50.319 29.686 12.669 1.00 18.03 N ATOM 91 CA ARG A1055 50.855 28.666 11.755 1.00 16.92 C ATOM 92 C ARG A1055 52.316 28.375 12.057 1.00 15.55 C ATOM 93 O ARG A1055 52.711 27.208 12.196 1.00 16.27 O ATOM 94 CB ARG A1055 50.688 29.096 10.295 1.00 18.50 C ATOM 95 CG ARG A1055 49.300 28.901 9.787 1.00 17.69 C ATOM 96 CD ARG A1055 49.218 29.172 8.275 1.00 21.79 C ATOM 97 NE ARG A1055 49.366 30.592 7.956 1.00 24.71 N ATOM 98 CZ ARG A1055 48.356 31.468 7.903 1.00 22.17 C ATOM 99 NH1 ARG A1055 47.105 31.092 8.189 1.00 21.18 N ATOM 100 NH2 ARG A1055 48.605 32.742 7.593 1.00 26.54 N ATOM 101 HE ARG A1055 50.324 30.945 7.756 1.00 0.00 H ATOM 102 HH12 ARG A1055 46.331 31.785 8.143 1.00 0.00 H ATOM 103 HH11 ARG A1055 46.907 30.107 8.457 1.00 0.00 H ATOM 104 HH22 ARG A1055 47.825 33.429 7.550 1.00 0.00 H ATOM 105 HH21 ARG A1055 49.579 33.048 7.395 1.00 0.00 H ATOM 106 H ARG A1055 49.986 30.601 12.304 1.00 0.00 H ATOM 107 N GLN A1056 53.128 29.404 12.264 1.00 16.37 N ATOM 108 CA GLN A1056 54.537 29.155 12.521 1.00 17.99 C ATOM 109 C GLN A1056 54.729 28.369 13.804 1.00 18.86 C ATOM 110 O GLN A1056 55.552 27.444 13.866 1.00 20.33 O ATOM 111 CB GLN A1056 55.288 30.485 12.555 1.00 20.63 C ATOM 112 CG GLN A1056 55.251 31.144 11.183 1.00 34.02 C ATOM 113 CD GLN A1056 56.243 32.269 11.064 1.00 53.81 C ATOM 114 OE1 GLN A1056 56.157 33.255 11.789 1.00 50.53 O ATOM 115 NE2 GLN A1056 57.204 32.121 10.158 1.00 61.96 N ATOM 116 HE22 GLN A1056 57.234 31.266 9.567 1.00 0.00 H ATOM 117 HE21 GLN A1056 57.926 32.860 10.040 1.00 0.00 H ATOM 118 H GLN A1056 52.761 30.377 12.243 1.00 0.00 H ATOM 119 N ALA A1057 53.968 28.705 14.845 1.00 17.55 N ATOM 120 CA ALA A1057 54.177 28.060 16.125 1.00 19.01 C ATOM 121 C ALA A1057 53.577 26.669 16.131 1.00 15.50 C ATOM 122 O ALA A1057 54.174 25.728 16.687 1.00 16.76 O ATOM 123 CB ALA A1057 53.568 28.912 17.246 1.00 19.25 C ATOM 124 H ALA A1057 53.227 29.427 14.739 1.00 0.00 H ATOM 125 N LEU A1058 52.367 26.530 15.581 1.00 14.94 N ATOM 126 CA LEU A1058 51.641 25.301 15.840 1.00 14.05 C ATOM 127 C LEU A1058 51.753 24.295 14.710 1.00 13.92 C ATOM 128 O LEU A1058 51.588 23.105 14.970 1.00 13.69 O ATOM 129 CB LEU A1058 50.153 25.594 16.093 1.00 13.73 C ATOM 130 CG LEU A1058 49.898 26.556 17.272 1.00 13.86 C ATOM 131 CD1 LEU A1058 48.462 27.024 17.290 1.00 13.60 C ATOM 132 CD2 LEU A1058 50.244 25.896 18.604 1.00 14.55 C ATOM 133 H LEU A1058 51.959 27.279 14.986 1.00 0.00 H ATOM 134 N MET A1059 51.943 24.723 13.471 1.00 14.10 N ATOM 135 CA MET A1059 52.017 23.732 12.390 1.00 14.06 C ATOM 136 C MET A1059 53.056 22.662 12.647 1.00 15.68 C ATOM 137 O MET A1059 52.790 21.507 12.293 1.00 14.63 O ATOM 138 CB MET A1059 52.276 24.391 11.020 1.00 15.47 C ATOM 139 CG MET A1059 51.935 23.493 9.815 1.00 15.20 C ATOM 140 SD MET A1059 50.162 23.245 9.593 1.00 16.52 S ATOM 141 CE MET A1059 49.713 24.874 8.996 1.00 19.41 C ATOM 142 H MET A1059 52.038 25.739 13.268 1.00 0.00 H ATOM 143 N PRO A1060 54.230 22.929 13.232 1.00 15.34 N ATOM 144 CA PRO A1060 55.166 21.812 13.474 1.00 15.00 C ATOM 145 C PRO A1060 54.588 20.751 14.377 1.00 14.62 C ATOM 146 O PRO A1060 54.941 19.565 14.229 1.00 14.75 O ATOM 147 CB PRO A1060 56.384 22.497 14.119 1.00 15.54 C ATOM 148 CG PRO A1060 56.316 23.933 13.570 1.00 15.76 C ATOM 149 CD PRO A1060 54.836 24.236 13.552 1.00 15.15 C ATOM 150 N THR A1061 53.734 21.128 15.325 1.00 14.26 N ATOM 151 CA THR A1061 53.165 20.124 16.218 1.00 14.00 C ATOM 152 C THR A1061 52.156 19.258 15.482 1.00 13.90 C ATOM 153 O THR A1061 52.068 18.052 15.741 1.00 14.37 O ATOM 154 CB THR A1061 52.529 20.765 17.463 1.00 13.82 C ATOM 155 OG1 THR A1061 51.301 21.458 17.166 1.00 13.77 O ATOM 156 CG2 THR A1061 53.536 21.724 18.130 1.00 16.69 C ATOM 157 HG1 THR A1061 51.480 22.179 16.511 1.00 0.00 H ATOM 158 H THR A1061 53.474 22.130 15.429 1.00 0.00 H ATOM 159 N LEU A1062 51.419 19.849 14.536 1.00 13.49 N ATOM 160 CA LEU A1062 50.482 19.094 13.717 1.00 13.28 C ATOM 161 C LEU A1062 51.235 18.198 12.759 1.00 13.63 C ATOM 162 O LEU A1062 50.867 17.036 12.565 1.00 13.66 O ATOM 163 CB LEU A1062 49.586 20.069 12.964 1.00 13.04 C ATOM 164 CG LEU A1062 48.449 19.378 12.202 1.00 12.83 C ATOM 165 CD1 LEU A1062 47.481 18.736 13.138 1.00 13.55 C ATOM 166 CD2 LEU A1062 47.731 20.457 11.368 1.00 14.23 C ATOM 167 H LEU A1062 51.518 20.873 14.382 1.00 0.00 H ATOM 168 N GLU A1063 52.308 18.715 12.172 1.00 14.01 N ATOM 169 CA GLU A1063 53.135 17.902 11.286 1.00 14.49 C ATOM 170 C GLU A1063 53.701 16.682 12.003 1.00 14.72 C ATOM 171 O GLU A1063 53.794 15.589 11.419 1.00 15.01 O ATOM 172 CB GLU A1063 54.272 18.769 10.737 1.00 18.11 C ATOM 173 CG GLU A1063 55.156 17.987 9.783 1.00 21.06 C ATOM 174 CD GLU A1063 56.520 18.583 9.612 1.00 22.21 C ATOM 175 OE1 GLU A1063 57.302 18.026 8.815 1.00 28.03 O ATOM 176 OE2 GLU A1063 56.809 19.622 10.246 1.00 25.63 O ATOM 177 H GLU A1063 52.561 19.709 12.345 1.00 0.00 H ATOM 178 N ALA A1064 54.096 16.836 13.259 1.00 14.79 N ATOM 179 CA ALA A1064 54.625 15.693 13.998 1.00 14.94 C ATOM 180 C ALA A1064 53.593 14.586 14.108 1.00 14.76 C ATOM 181 O ALA A1064 53.959 13.396 14.122 1.00 16.38 O ATOM 182 CB ALA A1064 55.064 16.118 15.413 1.00 14.92 C ATOM 183 H ALA A1064 54.029 17.768 13.716 1.00 0.00 H ATOM 184 N LEU A1065 52.309 14.934 14.194 1.00 14.28 N ATOM 185 CA LEU A1065 51.292 13.886 14.228 1.00 14.21 C ATOM 186 C LEU A1065 51.146 13.229 12.868 1.00 14.46 C ATOM 187 O LEU A1065 51.103 12.001 12.776 1.00 14.82 O ATOM 188 CB LEU A1065 49.958 14.448 14.699 1.00 13.72 C ATOM 189 CG LEU A1065 49.976 15.144 16.075 1.00 13.54 C ATOM 190 CD1 LEU A1065 48.576 15.559 16.452 1.00 14.77 C ATOM 191 CD2 LEU A1065 50.588 14.225 17.140 1.00 13.87 C ATOM 192 H LEU A1065 52.036 15.937 14.236 1.00 0.00 H ATOM 193 N TYR A1066 51.107 14.013 11.791 1.00 14.82 N ATOM 194 CA TYR A1066 51.011 13.392 10.459 1.00 14.72 C ATOM 195 C TYR A1066 52.154 12.436 10.201 1.00 15.85 C ATOM 196 O TYR A1066 51.982 11.409 9.520 1.00 17.15 O ATOM 197 CB TYR A1066 51.007 14.476 9.387 1.00 15.12 C ATOM 198 CG TYR A1066 49.665 15.053 9.052 1.00 14.35 C ATOM 199 CD1 TYR A1066 49.155 16.154 9.720 1.00 13.69 C ATOM 200 CD2 TYR A1066 48.946 14.556 7.975 1.00 16.40 C ATOM 201 CE1 TYR A1066 47.925 16.709 9.394 1.00 14.86 C ATOM 202 CE2 TYR A1066 47.715 15.124 7.619 1.00 16.34 C ATOM 203 CZ TYR A1066 47.205 16.189 8.335 1.00 18.35 C ATOM 204 OH TYR A1066 45.983 16.785 8.008 1.00 19.00 O ATOM 205 HH TYR A1066 45.261 16.110 8.070 1.00 0.00 H ATOM 206 H TYR A1066 51.144 15.048 11.890 1.00 0.00 H ATOM 207 N ARG A1067 53.341 12.738 10.710 1.00 15.71 N ATOM 208 CA ARG A1067 54.495 11.912 10.434 1.00 16.34 C ATOM 209 C ARG A1067 54.525 10.617 11.243 1.00 16.61 C ATOM 210 O ARG A1067 55.386 9.778 10.974 1.00 19.27 O ATOM 211 CB ARG A1067 55.764 12.727 10.672 1.00 18.66 C ATOM 212 CG ARG A1067 55.908 13.789 9.587 1.00 20.80 C ATOM 213 CD ARG A1067 57.073 14.691 9.922 1.00 20.84 C ATOM 214 NE ARG A1067 58.329 14.074 9.545 1.00 22.01 N ATOM 215 CZ ARG A1067 59.478 14.735 9.483 1.00 23.07 C ATOM 216 NH1 ARG A1067 59.494 16.008 9.849 1.00 21.80 N ATOM 217 NH2 ARG A1067 60.577 14.128 9.067 1.00 24.59 N ATOM 218 HE ARG A1067 58.330 13.061 9.311 1.00 0.00 H ATOM 219 HH12 ARG A1067 60.381 16.549 9.810 1.00 0.00 H ATOM 220 HH11 ARG A1067 58.619 16.466 10.175 1.00 0.00 H ATOM 221 HH22 ARG A1067 61.474 14.652 9.021 1.00 0.00 H ATOM 222 HH21 ARG A1067 60.544 13.127 8.786 1.00 0.00 H ATOM 223 H ARG A1067 53.443 13.578 11.314 1.00 0.00 H ATOM 224 N GLN A1068 53.594 10.412 12.171 1.00 17.24 N ATOM 225 CA GLN A1068 53.450 9.100 12.799 1.00 16.91 C ATOM 226 C GLN A1068 52.753 8.186 11.818 1.00 18.97 C ATOM 227 O GLN A1068 51.602 8.439 11.438 1.00 19.04 O ATOM 228 CB GLN A1068 52.654 9.231 14.088 1.00 19.23 C ATOM 229 CG GLN A1068 53.446 9.948 15.173 1.00 20.07 C ATOM 230 CD GLN A1068 54.617 9.057 15.645 1.00 27.82 C ATOM 231 OE1 GLN A1068 54.402 7.944 16.121 1.00 39.07 O ATOM 232 NE2 GLN A1068 55.838 9.518 15.445 1.00 34.24 N ATOM 233 HE22 GLN A1068 55.976 10.466 15.040 1.00 0.00 H ATOM 234 HE21 GLN A1068 56.662 8.933 15.693 1.00 0.00 H ATOM 235 H GLN A1068 52.964 11.191 12.452 1.00 0.00 H ATOM 236 N ASP A1069 53.467 7.163 11.370 1.00 17.67 N ATOM 237 CA ASP A1069 53.008 6.356 10.263 1.00 18.17 C ATOM 238 C ASP A1069 53.350 4.971 10.721 1.00 21.53 C ATOM 239 O ASP A1069 54.520 4.646 10.886 1.00 24.19 O ATOM 240 CB ASP A1069 53.731 6.756 8.967 1.00 22.33 C ATOM 241 CG ASP A1069 53.247 5.995 7.746 1.00 35.93 C ATOM 242 OD1 ASP A1069 52.670 4.910 7.905 1.00 28.65 O ATOM 243 OD2 ASP A1069 53.461 6.487 6.616 1.00 35.39 O ATOM 244 H ASP A1069 54.375 6.937 11.824 1.00 0.00 H ATOM 245 N PRO A1070 52.338 4.136 10.910 1.00 19.10 N ATOM 246 CA PRO A1070 50.957 4.209 10.440 1.00 18.80 C ATOM 247 C PRO A1070 49.974 4.873 11.373 1.00 17.99 C ATOM 248 O PRO A1070 48.805 4.977 10.998 1.00 17.77 O ATOM 249 CB PRO A1070 50.587 2.706 10.288 1.00 19.71 C ATOM 250 CG PRO A1070 51.322 2.085 11.444 1.00 25.45 C ATOM 251 CD PRO A1070 52.657 2.803 11.470 1.00 19.91 C ATOM 252 N GLU A1071 50.410 5.358 12.541 1.00 17.62 N ATOM 253 CA GLU A1071 49.452 5.655 13.601 1.00 17.13 C ATOM 254 C GLU A1071 48.544 6.834 13.271 1.00 16.56 C ATOM 255 O GLU A1071 47.423 6.892 13.783 1.00 16.13 O ATOM 256 CB GLU A1071 50.187 5.882 14.937 1.00 17.01 C ATOM 257 CG GLU A1071 50.780 4.587 15.539 1.00 18.83 C ATOM 258 CD GLU A1071 52.220 4.341 15.135 1.00 24.37 C ATOM 259 OE1 GLU A1071 52.742 4.972 14.191 1.00 19.68 O ATOM 260 OE2 GLU A1071 52.847 3.479 15.768 1.00 25.88 O ATOM 261 H GLU A1071 51.426 5.522 12.693 1.00 0.00 H ATOM 262 N SER A1072 48.977 7.761 12.404 1.00 16.08 N ATOM 263 CA SER A1072 48.085 8.873 12.051 1.00 15.44 C ATOM 264 C SER A1072 47.069 8.509 10.985 1.00 15.57 C ATOM 265 O SER A1072 46.143 9.301 10.773 1.00 15.09 O ATOM 266 CB SER A1072 48.858 10.116 11.540 1.00 15.12 C ATOM 267 OG SER A1072 49.501 9.834 10.309 1.00 16.62 O ATOM 268 HG SER A1072 50.140 9.088 10.435 1.00 0.00 H ATOM 269 H SER A1072 49.928 7.694 11.989 1.00 0.00 H ATOM 270 N LEU A1073 47.234 7.386 10.292 1.00 16.56 N ATOM 271 CA LEU A1073 46.348 7.126 9.162 1.00 16.46 C ATOM 272 C LEU A1073 44.870 7.210 9.528 1.00 16.89 C ATOM 273 O LEU A1073 44.101 7.784 8.737 1.00 18.32 O ATOM 274 CB LEU A1073 46.710 5.766 8.539 1.00 17.41 C ATOM 275 CG LEU A1073 48.118 5.716 7.941 1.00 20.54 C ATOM 276 CD1 LEU A1073 48.381 4.368 7.272 1.00 22.95 C ATOM 277 CD2 LEU A1073 48.370 6.802 6.918 1.00 22.39 C ATOM 278 H LEU A1073 47.979 6.707 10.550 1.00 0.00 H ATOM 279 N PRO A1074 44.403 6.699 10.664 1.00 16.23 N ATOM 280 CA PRO A1074 42.966 6.780 10.967 1.00 16.06 C ATOM 281 C PRO A1074 42.471 8.186 11.189 1.00 16.55 C ATOM 282 O PRO A1074 41.260 8.374 11.282 1.00 16.20 O ATOM 283 CB PRO A1074 42.814 5.957 12.250 1.00 17.31 C ATOM 284 CG PRO A1074 43.981 4.968 12.204 1.00 19.88 C ATOM 285 CD PRO A1074 45.116 5.763 11.568 1.00 17.07 C ATOM 286 N PHE A1075 43.372 9.152 11.331 1.00 14.81 N ATOM 287 CA PHE A1075 43.029 10.507 11.749 1.00 14.38 C ATOM 288 C PHE A1075 43.227 11.519 10.655 1.00 15.78 C ATOM 289 O PHE A1075 42.965 12.698 10.901 1.00 15.39 O ATOM 290 CB PHE A1075 43.863 10.884 12.998 1.00 13.98 C ATOM 291 CG PHE A1075 43.697 9.873 14.103 1.00 15.03 C ATOM 292 CD1 PHE A1075 42.590 9.937 14.943 1.00 17.77 C ATOM 293 CD2 PHE A1075 44.616 8.832 14.276 1.00 14.87 C ATOM 294 CE1 PHE A1075 42.413 8.915 15.952 1.00 18.49 C ATOM 295 CE2 PHE A1075 44.448 7.866 15.268 1.00 16.87 C ATOM 296 CZ PHE A1075 43.328 7.906 16.099 1.00 19.02 C ATOM 297 H PHE A1075 44.369 8.932 11.135 1.00 0.00 H ATOM 298 N ARG A1076 43.705 11.103 9.476 1.00 15.77 N ATOM 299 CA ARG A1076 44.018 12.079 8.433 1.00 16.13 C ATOM 300 C ARG A1076 42.798 12.571 7.672 1.00 18.52 C ATOM 301 O ARG A1076 42.931 13.504 6.880 1.00 23.78 O ATOM 302 CB ARG A1076 45.000 11.477 7.448 1.00 16.33 C ATOM 303 CG ARG A1076 46.379 11.194 8.057 1.00 16.98 C ATOM 304 CD ARG A1076 47.318 10.579 7.056 1.00 21.48 C ATOM 305 NE ARG A1076 48.715 10.568 7.498 1.00 18.89 N ATOM 306 CZ ARG A1076 49.734 10.278 6.705 1.00 19.62 C ATOM 307 NH1 ARG A1076 49.498 9.928 5.438 1.00 23.51 N ATOM 308 NH2 ARG A1076 50.997 10.291 7.155 1.00 19.81 N ATOM 309 HE ARG A1076 48.917 10.801 8.491 1.00 0.00 H ATOM 310 HH12 ARG A1076 50.291 9.698 4.806 1.00 0.00 H ATOM 311 HH11 ARG A1076 48.521 9.885 5.084 1.00 0.00 H ATOM 312 HH22 ARG A1076 51.781 10.059 6.512 1.00 0.00 H ATOM 313 HH21 ARG A1076 51.193 10.533 8.147 1.00 0.00 H ATOM 314 H ARG A1076 43.853 10.088 9.302 1.00 0.00 H ATOM 315 N GLN A1077 41.635 11.975 7.893 1.00 17.04 N ATOM 316 CA GLN A1077 40.408 12.381 7.227 1.00 17.54 C ATOM 317 C GLN A1077 39.253 12.102 8.166 1.00 19.65 C ATOM 318 O GLN A1077 39.392 11.344 9.122 1.00 19.46 O ATOM 319 CB GLN A1077 40.191 11.637 5.900 1.00 20.19 C ATOM 320 CG GLN A1077 41.082 12.070 4.754 1.00 20.31 C ATOM 321 CD GLN A1077 40.867 13.523 4.327 1.00 22.15 C ATOM 322 OE1 GLN A1077 39.737 14.012 4.240 1.00 20.51 O ATOM 323 NE2 GLN A1077 41.961 14.206 4.041 1.00 17.74 N ATOM 324 HE22 GLN A1077 42.894 13.754 4.128 1.00 0.00 H ATOM 325 HE21 GLN A1077 41.890 15.195 3.729 1.00 0.00 H ATOM 326 H GLN A1077 41.599 11.186 8.569 1.00 0.00 H ATOM 327 N PRO A1078 38.103 12.732 7.940 1.00 19.73 N ATOM 328 CA PRO A1078 36.959 12.488 8.823 1.00 18.68 C ATOM 329 C PRO A1078 36.550 11.020 8.866 1.00 19.81 C ATOM 330 O PRO A1078 36.675 10.283 7.884 1.00 26.02 O ATOM 331 CB PRO A1078 35.843 13.337 8.200 1.00 22.60 C ATOM 332 CG PRO A1078 36.583 14.418 7.466 1.00 21.25 C ATOM 333 CD PRO A1078 37.856 13.795 6.952 1.00 23.02 C ATOM 334 N VAL A1079 36.020 10.604 10.013 1.00 24.27 N ATOM 335 CA VAL A1079 35.416 9.276 10.089 1.00 22.21 C ATOM 336 C VAL A1079 34.207 9.211 9.169 1.00 26.24 C ATOM 337 O VAL A1079 33.356 10.110 9.172 1.00 24.40 O ATOM 338 CB VAL A1079 34.986 8.950 11.527 1.00 22.40 C ATOM 339 CG1 VAL A1079 34.176 7.643 11.561 1.00 23.89 C ATOM 340 CG2 VAL A1079 36.206 8.880 12.468 1.00 21.36 C ATOM 341 H VAL A1079 36.036 11.220 10.851 1.00 0.00 H ATOM 342 N ASP A1080 34.110 8.128 8.402 1.00 26.58 N ATOM 343 CA ASP A1080 32.974 7.854 7.516 1.00 31.29 C ATOM 344 C ASP A1080 32.265 6.608 8.041 1.00 28.22 C ATOM 345 O ASP A1080 32.670 5.479 7.715 1.00 34.53 O ATOM 346 CB ASP A1080 33.476 7.664 6.083 1.00 27.89 C ATOM 347 CG ASP A1080 32.385 7.215 5.096 1.00 32.51 C ATOM 348 OD1 ASP A1080 31.305 6.760 5.521 1.00 33.48 O ATOM 349 OD2 ASP A1080 32.629 7.328 3.875 1.00 35.78 O ATOM 350 H ASP A1080 34.885 7.435 8.433 1.00 0.00 H ATOM 351 N PRO A1081 31.217 6.755 8.866 1.00 27.31 N ATOM 352 CA PRO A1081 30.647 5.570 9.543 1.00 32.46 C ATOM 353 C PRO A1081 30.018 4.569 8.600 1.00 38.69 C ATOM 354 O PRO A1081 30.035 3.364 8.881 1.00 37.74 O ATOM 355 CB PRO A1081 29.594 6.175 10.484 1.00 29.32 C ATOM 356 CG PRO A1081 29.947 7.623 10.610 1.00 24.57 C ATOM 357 CD PRO A1081 30.544 7.990 9.282 1.00 23.05 C ATOM 358 N GLN A1082 29.401 5.044 7.519 1.00 40.37 N ATOM 359 CA GLN A1082 28.798 4.140 6.547 1.00 35.20 C ATOM 360 C GLN A1082 29.864 3.265 5.904 1.00 32.12 C ATOM 361 O GLN A1082 29.745 2.034 5.863 1.00 36.60 O ATOM 362 CB GLN A1082 28.046 4.966 5.502 1.00 33.01 C ATOM 363 CG GLN A1082 27.636 4.230 4.241 1.00 41.22 C ATOM 364 CD GLN A1082 27.028 5.172 3.199 1.00 51.87 C ATOM 365 OE1 GLN A1082 25.851 5.541 3.281 1.00 48.71 O ATOM 366 NE2 GLN A1082 27.837 5.572 2.221 1.00 50.31 N ATOM 367 HE22 GLN A1082 28.821 5.237 2.190 1.00 0.00 H ATOM 368 HE21 GLN A1082 27.485 6.220 1.487 1.00 0.00 H ATOM 369 H GLN A1082 29.349 6.071 7.367 1.00 0.00 H ATOM 370 N LEU A1083 30.916 3.899 5.392 1.00 37.45 N ATOM 371 CA LEU A1083 32.007 3.181 4.745 1.00 38.75 C ATOM 372 C LEU A1083 32.654 2.192 5.707 1.00 44.96 C ATOM 373 O LEU A1083 32.857 1.015 5.371 1.00 44.52 O ATOM 374 CB LEU A1083 33.016 4.207 4.226 1.00 42.13 C ATOM 375 CG LEU A1083 34.216 3.834 3.366 1.00 45.47 C ATOM 376 CD1 LEU A1083 35.213 3.143 4.235 1.00 47.70 C ATOM 377 CD2 LEU A1083 33.794 2.960 2.185 1.00 48.18 C ATOM 378 H LEU A1083 30.961 4.936 5.455 1.00 0.00 H ATOM 379 N LEU A1084 32.956 2.647 6.925 1.00 42.17 N ATOM 380 CA LEU A1084 33.688 1.853 7.905 1.00 39.26 C ATOM 381 C LEU A1084 32.807 0.861 8.656 1.00 40.02 C ATOM 382 O LEU A1084 33.309 0.189 9.563 1.00 39.95 O ATOM 383 CB LEU A1084 34.396 2.776 8.905 1.00 35.82 C ATOM 384 CG LEU A1084 35.442 3.741 8.338 1.00 38.64 C ATOM 385 CD1 LEU A1084 35.694 4.885 9.305 1.00 35.47 C ATOM 386 CD2 LEU A1084 36.744 2.999 8.040 1.00 42.59 C ATOM 387 H LEU A1084 32.657 3.608 7.186 1.00 0.00 H ATOM 388 N GLY A1085 31.523 0.764 8.323 1.00 42.15 N ATOM 389 CA GLY A1085 30.633 -0.205 8.945 1.00 41.35 C ATOM 390 C GLY A1085 30.335 0.043 10.409 1.00 42.30 C ATOM 391 O GLY A1085 30.344 -0.905 11.205 1.00 44.34 O ATOM 392 H GLY A1085 31.143 1.401 7.594 1.00 0.00 H ATOM 393 N ILE A1086 30.066 1.290 10.792 1.00 37.93 N ATOM 394 CA ILE A1086 29.823 1.605 12.202 1.00 39.85 C ATOM 395 C ILE A1086 28.693 2.623 12.327 1.00 37.93 C ATOM 396 O ILE A1086 28.943 3.803 12.626 1.00 36.74 O ATOM 397 CB ILE A1086 31.106 2.106 12.893 1.00 35.80 C ATOM 398 CG1 ILE A1086 31.868 3.088 12.003 1.00 31.98 C ATOM 399 CG2 ILE A1086 32.012 0.940 13.258 1.00 32.51 C ATOM 400 CD1 ILE A1086 32.920 3.922 12.761 1.00 33.14 C ATOM 401 H ILE A1086 30.028 2.049 10.082 1.00 0.00 H ATOM 402 N PRO A1087 27.435 2.214 12.139 1.00 34.22 N ATOM 403 CA PRO A1087 26.344 3.200 12.032 1.00 39.75 C ATOM 404 C PRO A1087 26.020 3.961 13.314 1.00 31.79 C ATOM 405 O PRO A1087 25.295 4.959 13.233 1.00 40.58 O ATOM 406 CB PRO A1087 25.144 2.349 11.591 1.00 37.65 C ATOM 407 CG PRO A1087 25.475 0.971 12.043 1.00 40.92 C ATOM 408 CD PRO A1087 26.962 0.838 11.903 1.00 36.63 C ATOM 409 N ASP A1088 26.508 3.559 14.482 1.00 33.12 N ATOM 410 CA ASP A1088 26.224 4.305 15.702 1.00 33.99 C ATOM 411 C ASP A1088 27.217 5.451 15.941 1.00 32.83 C ATOM 412 O ASP A1088 27.127 6.125 16.974 1.00 31.91 O ATOM 413 CB ASP A1088 26.219 3.371 16.914 1.00 38.57 C ATOM 414 CG ASP A1088 27.545 2.668 17.115 1.00 39.57 C ATOM 415 OD1 ASP A1088 28.320 2.589 16.142 1.00 37.82 O ATOM 416 OD2 ASP A1088 27.805 2.178 18.236 1.00 49.98 O ATOM 417 H ASP A1088 27.098 2.704 14.527 1.00 0.00 H ATOM 418 N TYR A1089 28.146 5.692 15.011 1.00 30.20 N ATOM 419 CA TYR A1089 29.277 6.571 15.321 1.00 27.85 C ATOM 420 C TYR A1089 28.812 7.976 15.676 1.00 29.37 C ATOM 421 O TYR A1089 29.233 8.537 16.694 1.00 28.48 O ATOM 422 CB TYR A1089 30.273 6.641 14.164 1.00 26.11 C ATOM 423 CG TYR A1089 31.465 7.526 14.503 1.00 25.60 C ATOM 424 CD1 TYR A1089 32.515 7.055 15.301 1.00 29.75 C ATOM 425 CD2 TYR A1089 31.515 8.837 14.067 1.00 25.37 C ATOM 426 CE1 TYR A1089 33.596 7.888 15.625 1.00 25.79 C ATOM 427 CE2 TYR A1089 32.598 9.670 14.388 1.00 27.39 C ATOM 428 CZ TYR A1089 33.615 9.182 15.171 1.00 24.11 C ATOM 429 OH TYR A1089 34.680 10.003 15.483 1.00 21.73 O ATOM 430 HH TYR A1089 35.323 9.507 16.049 1.00 0.00 H ATOM 431 H TYR A1089 28.067 5.257 14.070 1.00 0.00 H ATOM 432 N PHE A1090 27.943 8.560 14.852 1.00 30.77 N ATOM 433 CA PHE A1090 27.513 9.927 15.133 1.00 35.11 C ATOM 434 C PHE A1090 26.533 10.006 16.297 1.00 37.87 C ATOM 435 O PHE A1090 26.255 11.110 16.778 1.00 36.48 O ATOM 436 CB PHE A1090 26.899 10.573 13.895 1.00 31.09 C ATOM 437 CG PHE A1090 27.880 10.822 12.785 1.00 26.30 C ATOM 438 CD1 PHE A1090 29.146 11.351 13.046 1.00 27.24 C ATOM 439 CD2 PHE A1090 27.541 10.545 11.467 1.00 26.05 C ATOM 440 CE1 PHE A1090 30.054 11.568 12.017 1.00 24.07 C ATOM 441 CE2 PHE A1090 28.442 10.767 10.433 1.00 28.79 C ATOM 442 CZ PHE A1090 29.705 11.291 10.703 1.00 26.38 C ATOM 443 H PHE A1090 27.577 8.051 14.022 1.00 0.00 H ATOM 444 N ASP A1091 26.009 8.874 16.763 1.00 37.99 N ATOM 445 CA ASP A1091 25.213 8.901 17.979 1.00 35.28 C ATOM 446 C ASP A1091 26.092 8.979 19.220 1.00 37.65 C ATOM 447 O ASP A1091 25.661 9.510 20.248 1.00 39.77 O ATOM 448 CB ASP A1091 24.303 7.670 18.038 1.00 33.61 C ATOM 449 CG ASP A1091 23.296 7.637 16.899 1.00 43.06 C ATOM 450 OD1 ASP A1091 22.640 8.670 16.653 1.00 46.46 O ATOM 451 OD2 ASP A1091 23.173 6.586 16.232 1.00 53.22 O ATOM 452 H ASP A1091 26.168 7.977 16.261 1.00 0.00 H ATOM 453 N ILE A1092 27.324 8.480 19.140 1.00 28.57 N ATOM 454 CA ILE A1092 28.240 8.509 20.270 1.00 28.23 C ATOM 455 C ILE A1092 29.131 9.742 20.231 1.00 24.38 C ATOM 456 O ILE A1092 29.428 10.334 21.276 1.00 29.27 O ATOM 457 CB ILE A1092 29.073 7.218 20.261 1.00 26.81 C ATOM 458 CG1 ILE A1092 28.118 6.015 20.298 1.00 33.60 C ATOM 459 CG2 ILE A1092 30.061 7.197 21.433 1.00 33.68 C ATOM 460 CD1 ILE A1092 28.802 4.684 20.400 1.00 40.69 C ATOM 461 H ILE A1092 27.641 8.057 18.244 1.00 0.00 H ATOM 462 N VAL A1093 29.589 10.078 19.041 1.00 24.55 N ATOM 463 CA VAL A1093 30.549 11.163 18.845 1.00 22.48 C ATOM 464 C VAL A1093 29.776 12.355 18.291 1.00 25.97 C ATOM 465 O VAL A1093 29.485 12.431 17.090 1.00 25.03 O ATOM 466 CB VAL A1093 31.704 10.753 17.928 1.00 20.32 C ATOM 467 CG1 VAL A1093 32.501 12.060 17.485 1.00 24.34 C ATOM 468 CG2 VAL A1093 32.615 9.695 18.631 1.00 23.58 C ATOM 469 H VAL A1093 29.254 9.551 18.209 1.00 0.00 H ATOM 470 N LYS A1094 29.478 13.319 19.168 1.00 25.40 N ATOM 471 CA LYS A1094 28.628 14.447 18.782 1.00 28.24 C ATOM 472 C LYS A1094 29.377 15.562 18.060 1.00 26.77 C ATOM 473 O LYS A1094 28.751 16.338 17.346 1.00 26.51 O ATOM 474 CB LYS A1094 27.949 15.037 20.019 1.00 30.69 C ATOM 475 CG LYS A1094 27.111 14.043 20.808 1.00 39.57 C ATOM 476 CD LYS A1094 26.058 13.404 19.924 1.00 42.75 C ATOM 477 CE LYS A1094 24.966 12.747 20.758 1.00 51.64 C ATOM 478 NZ LYS A1094 23.882 12.201 19.894 1.00 54.26 N ATOM 479 HZ1 LYS A1094 23.458 12.974 19.342 1.00 0.00 H ATOM 480 HZ2 LYS A1094 24.280 11.489 19.248 1.00 0.00 H ATOM 481 HZ3 LYS A1094 23.153 11.760 20.491 1.00 0.00 H ATOM 482 H LYS A1094 29.854 13.267 20.136 1.00 0.00 H ATOM 483 N SER A1095 30.697 15.656 18.217 1.00 24.93 N ATOM 484 CA SER A1095 31.504 16.714 17.607 1.00 23.34 C ATOM 485 C SER A1095 32.721 16.085 16.930 1.00 19.85 C ATOM 486 O SER A1095 33.822 16.084 17.496 1.00 19.80 O ATOM 487 CB SER A1095 31.949 17.733 18.660 1.00 26.91 C ATOM 488 OG SER A1095 30.837 18.326 19.312 1.00 30.26 O ATOM 489 HG SER A1095 31.159 18.978 19.984 1.00 0.00 H ATOM 490 H SER A1095 31.177 14.943 18.802 1.00 0.00 H ATOM 491 N PRO A1096 32.568 15.573 15.719 1.00 23.49 N ATOM 492 CA PRO A1096 33.705 14.917 15.050 1.00 22.65 C ATOM 493 C PRO A1096 34.845 15.891 14.770 1.00 22.26 C ATOM 494 O PRO A1096 34.637 17.091 14.565 1.00 19.75 O ATOM 495 CB PRO A1096 33.097 14.392 13.746 1.00 24.78 C ATOM 496 CG PRO A1096 31.612 14.227 14.069 1.00 30.00 C ATOM 497 CD PRO A1096 31.298 15.383 14.984 1.00 22.09 C ATOM 498 N MET A1097 36.063 15.354 14.725 1.00 18.37 N ATOM 499 CA MET A1097 37.252 16.160 14.501 1.00 17.17 C ATOM 500 C MET A1097 38.349 15.264 13.952 1.00 15.09 C ATOM 501 O MET A1097 38.447 14.090 14.330 1.00 17.52 O ATOM 502 CB MET A1097 37.721 16.820 15.794 1.00 16.13 C ATOM 503 CG MET A1097 38.884 17.841 15.566 1.00 14.30 C ATOM 504 SD MET A1097 38.562 19.163 14.360 1.00 16.51 S ATOM 505 CE MET A1097 37.061 19.944 14.998 1.00 20.58 C ATOM 506 H MET A1097 36.167 14.327 14.854 1.00 0.00 H ATOM 507 N ASP A1098 39.200 15.817 13.105 1.00 15.57 N ATOM 508 CA ASP A1098 40.280 15.024 12.521 1.00 15.35 C ATOM 509 C ASP A1098 41.406 15.951 12.076 1.00 14.71 C ATOM 510 O ASP A1098 41.255 17.181 12.062 1.00 13.99 O ATOM 511 CB ASP A1098 39.781 14.178 11.342 1.00 15.23 C ATOM 512 CG ASP A1098 39.582 15.008 10.107 1.00 18.42 C ATOM 513 OD1 ASP A1098 38.657 15.860 10.135 1.00 23.38 O ATOM 514 OD2 ASP A1098 40.374 14.880 9.163 1.00 20.59 O ATOM 515 H ASP A1098 39.101 16.821 12.853 1.00 0.00 H ATOM 516 N LEU A1099 42.535 15.363 11.672 1.00 14.01 N ATOM 517 CA LEU A1099 43.702 16.180 11.328 1.00 13.81 C ATOM 518 C LEU A1099 43.453 17.086 10.134 1.00 15.31 C ATOM 519 O LEU A1099 43.922 18.225 10.137 1.00 15.23 O ATOM 520 CB LEU A1099 44.937 15.322 11.064 1.00 15.20 C ATOM 521 CG LEU A1099 45.499 14.478 12.223 1.00 13.58 C ATOM 522 CD1 LEU A1099 46.493 13.512 11.621 1.00 14.90 C ATOM 523 CD2 LEU A1099 46.173 15.371 13.237 1.00 14.12 C ATOM 524 H LEU A1099 42.586 14.327 11.602 1.00 0.00 H ATOM 525 N SER A1100 42.672 16.643 9.146 1.00 15.11 N ATOM 526 CA SER A1100 42.472 17.477 7.957 1.00 15.81 C ATOM 527 C SER A1100 41.705 18.736 8.316 1.00 15.23 C ATOM 528 O SER A1100 41.956 19.812 7.737 1.00 15.94 O ATOM 529 CB SER A1100 41.748 16.677 6.844 1.00 18.58 C ATOM 530 OG SER A1100 40.378 16.433 7.183 1.00 21.32 O ATOM 531 HG SER A1100 40.335 15.912 8.024 1.00 0.00 H ATOM 532 H SER A1100 42.210 15.714 9.219 1.00 0.00 H ATOM 533 N THR A1101 40.734 18.615 9.222 1.00 14.73 N ATOM 534 CA THR A1101 39.943 19.766 9.632 1.00 15.82 C ATOM 535 C THR A1101 40.814 20.760 10.391 1.00 15.95 C ATOM 536 O THR A1101 40.738 21.978 10.164 1.00 15.86 O ATOM 537 CB THR A1101 38.758 19.300 10.462 1.00 20.20 C ATOM 538 OG1 THR A1101 37.950 18.434 9.641 1.00 21.20 O ATOM 539 CG2 THR A1101 37.901 20.476 10.971 1.00 19.66 C ATOM 540 HG1 THR A1101 38.491 17.657 9.351 1.00 0.00 H ATOM 541 H THR A1101 40.539 17.684 9.642 1.00 0.00 H ATOM 542 N ILE A1102 41.665 20.264 11.289 1.00 13.83 N ATOM 543 CA ILE A1102 42.549 21.133 12.057 1.00 12.56 C ATOM 544 C ILE A1102 43.545 21.821 11.144 1.00 14.26 C ATOM 545 O ILE A1102 43.796 23.027 11.282 1.00 14.17 O ATOM 546 CB ILE A1102 43.241 20.290 13.145 1.00 12.25 C ATOM 547 CG1 ILE A1102 42.176 19.774 14.113 1.00 13.30 C ATOM 548 CG2 ILE A1102 44.310 21.148 13.842 1.00 13.08 C ATOM 549 CD1 ILE A1102 42.724 18.755 15.140 1.00 15.31 C ATOM 550 H ILE A1102 41.699 19.236 11.445 1.00 0.00 H ATOM 551 N LYS A1103 44.105 21.082 10.187 1.00 14.92 N ATOM 552 CA LYS A1103 45.034 21.677 9.231 1.00 12.73 C ATOM 553 C LYS A1103 44.356 22.802 8.450 1.00 13.15 C ATOM 554 O LYS A1103 44.923 23.893 8.301 1.00 14.85 O ATOM 555 CB LYS A1103 45.572 20.587 8.291 1.00 14.88 C ATOM 556 CG LYS A1103 46.620 21.127 7.365 1.00 17.76 C ATOM 557 CD LYS A1103 47.072 20.036 6.388 1.00 21.34 C ATOM 558 CE LYS A1103 48.191 20.563 5.474 1.00 28.89 C ATOM 559 NZ LYS A1103 47.620 21.551 4.488 1.00 28.66 N ATOM 560 HZ1 LYS A1103 46.894 21.082 3.910 1.00 0.00 H ATOM 561 HZ2 LYS A1103 47.193 22.346 5.004 1.00 0.00 H ATOM 562 HZ3 LYS A1103 48.381 21.904 3.873 1.00 0.00 H ATOM 563 H LYS A1103 43.878 20.069 10.120 1.00 0.00 H ATOM 564 N ARG A1104 43.132 22.551 7.964 1.00 15.41 N ATOM 565 CA ARG A1104 42.414 23.584 7.224 1.00 15.43 C ATOM 566 C ARG A1104 42.180 24.814 8.090 1.00 14.87 C ATOM 567 O ARG A1104 42.283 25.952 7.613 1.00 16.62 O ATOM 568 CB ARG A1104 41.078 23.018 6.744 1.00 14.77 C ATOM 569 CG ARG A1104 40.243 24.033 5.957 1.00 19.35 C ATOM 570 CD ARG A1104 39.027 23.306 5.345 1.00 21.54 C ATOM 571 NE ARG A1104 38.079 22.814 6.349 1.00 22.79 N ATOM 572 CZ ARG A1104 37.847 21.513 6.590 1.00 20.87 C ATOM 573 NH1 ARG A1104 36.968 21.148 7.509 1.00 24.21 N ATOM 574 NH2 ARG A1104 38.500 20.586 5.908 1.00 27.56 N ATOM 575 HE ARG A1104 37.554 23.515 6.909 1.00 0.00 H ATOM 576 HH12 ARG A1104 36.794 20.139 7.690 1.00 0.00 H ATOM 577 HH11 ARG A1104 36.451 21.870 8.050 1.00 0.00 H ATOM 578 HH22 ARG A1104 38.320 19.579 6.095 1.00 0.00 H ATOM 579 HH21 ARG A1104 39.194 20.864 5.185 1.00 0.00 H ATOM 580 H ARG A1104 42.694 21.620 8.114 1.00 0.00 H ATOM 581 N LYS A1105 41.810 24.612 9.349 1.00 14.61 N ATOM 582 CA LYS A1105 41.565 25.754 10.231 1.00 15.19 C ATOM 583 C LYS A1105 42.840 26.574 10.440 1.00 15.25 C ATOM 584 O LYS A1105 42.800 27.813 10.478 1.00 15.01 O ATOM 585 CB LYS A1105 40.970 25.259 11.561 1.00 15.53 C ATOM 586 CG LYS A1105 39.537 24.789 11.380 1.00 15.79 C ATOM 587 CD LYS A1105 38.887 24.253 12.638 1.00 19.10 C ATOM 588 CE LYS A1105 38.473 25.304 13.619 1.00 21.03 C ATOM 589 NZ LYS A1105 37.755 24.606 14.795 1.00 19.05 N ATOM 590 HZ1 LYS A1105 36.920 24.099 14.438 1.00 0.00 H ATOM 591 HZ2 LYS A1105 38.406 23.931 15.245 1.00 0.00 H ATOM 592 HZ3 LYS A1105 37.458 25.320 15.491 1.00 0.00 H ATOM 593 H LYS A1105 41.694 23.643 9.708 1.00 0.00 H ATOM 594 N LEU A1106 43.989 25.911 10.653 1.00 14.28 N ATOM 595 CA LEU A1106 45.250 26.639 10.735 1.00 16.09 C ATOM 596 C LEU A1106 45.570 27.362 9.443 1.00 16.60 C ATOM 597 O LEU A1106 46.006 28.525 9.453 1.00 18.59 O ATOM 598 CB LEU A1106 46.396 25.696 11.063 1.00 19.48 C ATOM 599 CG LEU A1106 46.637 25.459 12.519 1.00 15.52 C ATOM 600 CD1 LEU A1106 47.713 24.362 12.593 1.00 18.12 C ATOM 601 CD2 LEU A1106 47.083 26.712 13.298 1.00 16.94 C ATOM 602 H LEU A1106 43.979 24.877 10.760 1.00 0.00 H ATOM 603 N ASP A1107 45.396 26.676 8.318 1.00 17.17 N ATOM 604 CA ASP A1107 45.742 27.254 7.028 1.00 16.27 C ATOM 605 C ASP A1107 44.890 28.472 6.706 1.00 17.53 C ATOM 606 O ASP A1107 45.366 29.403 6.048 1.00 21.05 O ATOM 607 CB ASP A1107 45.553 26.202 5.936 1.00 17.37 C ATOM 608 CG ASP A1107 46.631 25.141 5.930 1.00 25.22 C ATOM 609 OD1 ASP A1107 47.707 25.325 6.544 1.00 29.34 O ATOM 610 OD2 ASP A1107 46.393 24.112 5.273 1.00 24.08 O ATOM 611 H ASP A1107 45.007 25.712 8.360 1.00 0.00 H ATOM 612 N THR A1108 43.621 28.456 7.095 1.00 17.09 N ATOM 613 CA THR A1108 42.712 29.545 6.742 1.00 17.23 C ATOM 614 C THR A1108 42.592 30.608 7.819 1.00 19.67 C ATOM 615 O THR A1108 41.964 31.650 7.546 1.00 20.24 O ATOM 616 CB THR A1108 41.307 29.006 6.406 1.00 19.97 C ATOM 617 OG1 THR A1108 40.806 28.184 7.479 1.00 17.64 O ATOM 618 CG2 THR A1108 41.349 28.212 5.123 1.00 19.20 C ATOM 619 HG1 THR A1108 41.418 27.418 7.620 1.00 0.00 H ATOM 620 H THR A1108 43.268 27.657 7.659 1.00 0.00 H ATOM 621 N GLY A1109 43.190 30.401 8.995 1.00 17.78 N ATOM 622 CA GLY A1109 43.161 31.412 10.037 1.00 19.16 C ATOM 623 C GLY A1109 41.954 31.393 10.946 1.00 16.00 C ATOM 624 O GLY A1109 41.563 32.457 11.465 1.00 18.70 O ATOM 625 H GLY A1109 43.684 29.502 9.167 1.00 0.00 H ATOM 626 N GLN A1110 41.377 30.215 11.201 1.00 15.92 N ATOM 627 CA GLN A1110 40.165 30.085 11.994 1.00 15.34 C ATOM 628 C GLN A1110 40.419 29.982 13.493 1.00 16.94 C ATOM 629 O GLN A1110 39.451 29.977 14.265 1.00 20.53 O ATOM 630 CB GLN A1110 39.358 28.860 11.537 1.00 15.77 C ATOM 631 CG GLN A1110 38.769 29.081 10.149 1.00 14.60 C ATOM 632 CD GLN A1110 37.893 27.936 9.729 1.00 14.66 C ATOM 633 OE1 GLN A1110 36.996 27.548 10.456 1.00 19.26 O ATOM 634 NE2 GLN A1110 38.179 27.375 8.585 1.00 18.28 N ATOM 635 HE22 GLN A1110 38.956 27.747 8.003 1.00 0.00 H ATOM 636 HE21 GLN A1110 37.629 26.556 8.256 1.00 0.00 H ATOM 637 H GLN A1110 41.814 29.354 10.815 1.00 0.00 H ATOM 638 N TYR A1111 41.672 29.917 13.935 1.00 15.30 N ATOM 639 CA TYR A1111 41.957 29.952 15.360 1.00 13.96 C ATOM 640 C TYR A1111 42.346 31.354 15.793 1.00 14.80 C ATOM 641 O TYR A1111 43.242 31.964 15.209 1.00 19.62 O ATOM 642 CB TYR A1111 43.079 28.971 15.730 1.00 15.60 C ATOM 643 CG TYR A1111 42.733 27.510 15.472 1.00 14.20 C ATOM 644 CD1 TYR A1111 41.664 26.914 16.142 1.00 14.25 C ATOM 645 CD2 TYR A1111 43.471 26.738 14.583 1.00 14.81 C ATOM 646 CE1 TYR A1111 41.319 25.575 15.913 1.00 14.04 C ATOM 647 CE2 TYR A1111 43.175 25.399 14.393 1.00 14.80 C ATOM 648 CZ TYR A1111 42.088 24.841 15.049 1.00 13.79 C ATOM 649 OH TYR A1111 41.797 23.521 14.825 1.00 16.27 O ATOM 650 HH TYR A1111 41.002 23.265 15.357 1.00 0.00 H ATOM 651 H TYR A1111 42.455 29.840 13.255 1.00 0.00 H ATOM 652 N GLN A1112 41.690 31.843 16.833 1.00 16.00 N ATOM 653 CA GLN A1112 42.062 33.155 17.338 1.00 16.82 C ATOM 654 C GLN A1112 43.206 33.089 18.319 1.00 17.42 C ATOM 655 O GLN A1112 43.937 34.070 18.490 1.00 21.12 O ATOM 656 CB GLN A1112 40.860 33.845 17.989 1.00 19.68 C ATOM 657 CG GLN A1112 39.783 34.218 16.952 1.00 20.94 C ATOM 658 CD GLN A1112 38.780 33.091 16.697 1.00 23.17 C ATOM 659 OE1 GLN A1112 38.110 32.633 17.616 1.00 28.86 O ATOM 660 NE2 GLN A1112 38.647 32.678 15.441 1.00 25.30 N ATOM 661 HE22 GLN A1112 39.236 33.094 14.692 1.00 0.00 H ATOM 662 HE21 GLN A1112 37.954 31.939 15.207 1.00 0.00 H ATOM 663 H GLN A1112 40.924 31.300 17.280 1.00 0.00 H ATOM 664 N GLU A1113 43.383 31.960 18.985 1.00 14.82 N ATOM 665 CA GLU A1113 44.439 31.834 19.972 1.00 15.85 C ATOM 666 C GLU A1113 44.758 30.356 20.112 1.00 16.85 C ATOM 667 O GLU A1113 43.941 29.503 19.715 1.00 16.54 O ATOM 668 CB GLU A1113 44.026 32.487 21.308 1.00 24.40 C ATOM 669 CG GLU A1113 42.744 31.921 21.906 1.00 22.68 C ATOM 670 CD GLU A1113 43.030 30.776 22.853 1.00 25.62 C ATOM 671 OE1 GLU A1113 42.062 30.091 23.261 1.00 27.91 O ATOM 672 OE2 GLU A1113 44.204 30.586 23.226 1.00 20.53 O ATOM 673 H GLU A1113 42.756 31.151 18.799 1.00 0.00 H ATOM 674 N PRO A1114 45.945 30.022 20.625 1.00 14.54 N ATOM 675 CA PRO A1114 46.478 28.672 20.419 1.00 14.11 C ATOM 676 C PRO A1114 45.723 27.612 21.197 1.00 14.68 C ATOM 677 O PRO A1114 45.725 26.440 20.768 1.00 13.47 O ATOM 678 CB PRO A1114 47.939 28.791 20.893 1.00 14.75 C ATOM 679 CG PRO A1114 47.968 30.003 21.771 1.00 17.88 C ATOM 680 CD PRO A1114 46.901 30.933 21.277 1.00 15.18 C ATOM 681 N TRP A1115 45.074 27.970 22.316 1.00 15.11 N ATOM 682 CA TRP A1115 44.343 26.943 23.051 1.00 15.04 C ATOM 683 C TRP A1115 43.134 26.436 22.274 1.00 14.57 C ATOM 684 O TRP A1115 42.680 25.313 22.540 1.00 15.44 O ATOM 685 CB TRP A1115 43.940 27.465 24.438 1.00 16.10 C ATOM 686 CG TRP A1115 45.119 27.630 25.362 1.00 17.14 C ATOM 687 CD1 TRP A1115 45.759 28.805 25.688 1.00 20.30 C ATOM 688 CD2 TRP A1115 45.801 26.593 26.082 1.00 19.70 C ATOM 689 NE1 TRP A1115 46.791 28.556 26.550 1.00 24.64 N ATOM 690 CE2 TRP A1115 46.839 27.212 26.823 1.00 24.35 C ATOM 691 CE3 TRP A1115 45.639 25.205 26.178 1.00 21.81 C ATOM 692 CZ2 TRP A1115 47.698 26.490 27.646 1.00 27.25 C ATOM 693 CZ3 TRP A1115 46.498 24.487 27.002 1.00 27.27 C ATOM 694 CH2 TRP A1115 47.517 25.130 27.721 1.00 29.50 C ATOM 695 HE1 TRP A1115 47.438 29.272 26.938 1.00 0.00 H ATOM 696 H TRP A1115 45.092 28.954 22.651 1.00 0.00 H ATOM 697 N GLN A1116 42.613 27.188 21.311 1.00 15.27 N ATOM 698 CA GLN A1116 41.559 26.651 20.455 1.00 13.59 C ATOM 699 C GLN A1116 42.085 25.496 19.615 1.00 14.15 C ATOM 700 O GLN A1116 41.361 24.529 19.342 1.00 14.21 O ATOM 701 CB GLN A1116 40.988 27.741 19.549 1.00 14.57 C ATOM 702 CG GLN A1116 40.326 28.836 20.361 1.00 16.59 C ATOM 703 CD GLN A1116 39.921 29.978 19.510 1.00 23.67 C ATOM 704 OE1 GLN A1116 40.276 30.043 18.343 1.00 22.37 O ATOM 705 NE2 GLN A1116 39.152 30.894 20.085 1.00 26.49 N ATOM 706 HE22 GLN A1116 38.878 30.791 21.083 1.00 0.00 H ATOM 707 HE21 GLN A1116 38.823 31.715 19.538 1.00 0.00 H ATOM 708 H GLN A1116 42.956 28.159 21.167 1.00 0.00 H ATOM 709 N TYR A1117 43.325 25.602 19.150 1.00 12.73 N ATOM 710 CA TYR A1117 43.930 24.493 18.411 1.00 13.27 C ATOM 711 C TYR A1117 44.122 23.289 19.324 1.00 12.52 C ATOM 712 O TYR A1117 43.805 22.155 18.947 1.00 12.49 O ATOM 713 CB TYR A1117 45.266 24.988 17.833 1.00 12.64 C ATOM 714 CG TYR A1117 46.216 23.878 17.395 1.00 12.58 C ATOM 715 CD1 TYR A1117 46.082 23.257 16.167 1.00 12.63 C ATOM 716 CD2 TYR A1117 47.257 23.488 18.213 1.00 12.80 C ATOM 717 CE1 TYR A1117 46.951 22.271 15.747 1.00 12.51 C ATOM 718 CE2 TYR A1117 48.155 22.497 17.822 1.00 12.83 C ATOM 719 CZ TYR A1117 47.985 21.853 16.595 1.00 12.67 C ATOM 720 OH TYR A1117 48.859 20.866 16.164 1.00 13.34 O ATOM 721 HH TYR A1117 49.772 21.242 16.096 1.00 0.00 H ATOM 722 H TYR A1117 43.867 26.475 19.311 1.00 0.00 H ATOM 723 N VAL A1118 44.645 23.521 20.525 1.00 12.81 N ATOM 724 CA VAL A1118 44.834 22.445 21.492 1.00 14.82 C ATOM 725 C VAL A1118 43.505 21.766 21.778 1.00 14.99 C ATOM 726 O VAL A1118 43.419 20.520 21.835 1.00 13.87 O ATOM 727 CB VAL A1118 45.494 23.003 22.763 1.00 14.34 C ATOM 728 CG1 VAL A1118 45.548 21.922 23.849 1.00 17.13 C ATOM 729 CG2 VAL A1118 46.913 23.487 22.439 1.00 16.14 C ATOM 730 H VAL A1118 44.925 24.490 20.780 1.00 0.00 H ATOM 731 N ASP A1119 42.440 22.554 21.896 1.00 15.74 N ATOM 732 CA ASP A1119 41.127 21.974 22.165 1.00 15.12 C ATOM 733 C ASP A1119 40.698 21.046 21.040 1.00 15.00 C ATOM 734 O ASP A1119 40.130 19.972 21.296 1.00 15.69 O ATOM 735 CB ASP A1119 40.073 23.069 22.358 1.00 13.99 C ATOM 736 CG ASP A1119 40.161 23.763 23.702 1.00 17.96 C ATOM 737 OD1 ASP A1119 40.814 23.249 24.629 1.00 21.53 O ATOM 738 OD2 ASP A1119 39.517 24.833 23.774 1.00 22.94 O ATOM 739 H ASP A1119 42.542 23.584 21.797 1.00 0.00 H ATOM 740 N ASP A1120 40.950 21.423 19.790 1.00 13.29 N ATOM 741 CA ASP A1120 40.516 20.567 18.681 1.00 12.65 C ATOM 742 C ASP A1120 41.335 19.283 18.640 1.00 15.19 C ATOM 743 O ASP A1120 40.788 18.206 18.341 1.00 14.15 O ATOM 744 CB ASP A1120 40.624 21.304 17.339 1.00 12.88 C ATOM 745 CG ASP A1120 39.395 22.127 16.991 1.00 16.98 C ATOM 746 OD1 ASP A1120 38.356 22.037 17.676 1.00 19.71 O ATOM 747 OD2 ASP A1120 39.512 22.872 15.994 1.00 16.94 O ATOM 748 H ASP A1120 41.450 22.315 19.601 1.00 0.00 H ATOM 749 N ILE A1121 42.639 19.360 18.955 1.00 12.32 N ATOM 750 CA ILE A1121 43.462 18.150 18.967 1.00 12.45 C ATOM 751 C ILE A1121 42.902 17.189 20.004 1.00 12.72 C ATOM 752 O ILE A1121 42.751 15.982 19.753 1.00 13.68 O ATOM 753 CB ILE A1121 44.928 18.512 19.278 1.00 12.54 C ATOM 754 CG1 ILE A1121 45.588 19.286 18.124 1.00 13.92 C ATOM 755 CG2 ILE A1121 45.756 17.284 19.691 1.00 14.42 C ATOM 756 CD1 ILE A1121 46.027 18.464 16.958 1.00 13.75 C ATOM 757 H ILE A1121 43.064 20.280 19.190 1.00 0.00 H ATOM 758 N TRP A1122 42.609 17.702 21.190 1.00 14.09 N ATOM 759 CA TRP A1122 42.123 16.820 22.248 1.00 15.51 C ATOM 760 C TRP A1122 40.716 16.323 21.955 1.00 17.08 C ATOM 761 O TRP A1122 40.355 15.226 22.403 1.00 17.42 O ATOM 762 CB TRP A1122 42.192 17.504 23.619 1.00 15.96 C ATOM 763 CG TRP A1122 43.594 17.491 24.145 1.00 16.31 C ATOM 764 CD1 TRP A1122 44.481 18.561 24.186 1.00 18.58 C ATOM 765 CD2 TRP A1122 44.301 16.373 24.710 1.00 16.16 C ATOM 766 NE1 TRP A1122 45.687 18.150 24.706 1.00 22.25 N ATOM 767 CE2 TRP A1122 45.603 16.815 25.025 1.00 20.79 C ATOM 768 CE3 TRP A1122 43.963 15.035 24.963 1.00 18.92 C ATOM 769 CZ2 TRP A1122 46.558 15.977 25.608 1.00 26.07 C ATOM 770 CZ3 TRP A1122 44.924 14.195 25.541 1.00 20.45 C ATOM 771 CH2 TRP A1122 46.203 14.667 25.847 1.00 21.31 C ATOM 772 HE1 TRP A1122 46.526 18.751 24.836 1.00 0.00 H ATOM 773 H TRP A1122 42.724 18.721 21.366 1.00 0.00 H ATOM 774 N LEU A1123 39.910 17.098 21.245 1.00 14.91 N ATOM 775 CA LEU A1123 38.595 16.613 20.845 1.00 15.14 C ATOM 776 C LEU A1123 38.746 15.390 19.955 1.00 16.99 C ATOM 777 O LEU A1123 38.056 14.377 20.138 1.00 16.78 O ATOM 778 CB LEU A1123 37.842 17.736 20.129 1.00 14.69 C ATOM 779 CG LEU A1123 36.476 17.404 19.513 1.00 16.07 C ATOM 780 CD1 LEU A1123 35.499 16.880 20.578 1.00 18.28 C ATOM 781 CD2 LEU A1123 35.905 18.631 18.817 1.00 16.84 C ATOM 782 H LEU A1123 40.216 18.054 20.973 1.00 0.00 H ATOM 783 N MET A1124 39.636 15.479 18.972 1.00 15.18 N ATOM 784 CA MET A1124 39.930 14.343 18.099 1.00 13.47 C ATOM 785 C MET A1124 40.354 13.115 18.907 1.00 15.97 C ATOM 786 O MET A1124 39.852 11.998 18.683 1.00 15.48 O ATOM 787 CB MET A1124 41.033 14.754 17.144 1.00 13.17 C ATOM 788 CG MET A1124 41.500 13.624 16.224 1.00 15.92 C ATOM 789 SD MET A1124 42.814 14.153 15.114 1.00 15.96 S ATOM 790 CE MET A1124 44.137 14.486 16.300 1.00 22.74 C ATOM 791 H MET A1124 40.136 16.378 18.820 1.00 0.00 H ATOM 792 N PHE A1125 41.302 13.290 19.826 1.00 13.57 N ATOM 793 CA PHE A1125 41.753 12.157 20.630 1.00 14.63 C ATOM 794 C PHE A1125 40.622 11.635 21.501 1.00 17.64 C ATOM 795 O PHE A1125 40.407 10.419 21.604 1.00 17.29 O ATOM 796 CB PHE A1125 42.915 12.558 21.534 1.00 14.03 C ATOM 797 CG PHE A1125 44.171 12.940 20.843 1.00 13.78 C ATOM 798 CD1 PHE A1125 44.500 12.470 19.579 1.00 15.03 C ATOM 799 CD2 PHE A1125 45.065 13.780 21.503 1.00 14.22 C ATOM 800 CE1 PHE A1125 45.726 12.848 18.967 1.00 14.91 C ATOM 801 CE2 PHE A1125 46.277 14.165 20.915 1.00 14.69 C ATOM 802 CZ PHE A1125 46.603 13.703 19.651 1.00 14.85 C ATOM 803 H PHE A1125 41.720 14.231 19.971 1.00 0.00 H ATOM 804 N ASN A1126 39.941 12.535 22.222 1.00 16.67 N ATOM 805 CA ASN A1126 38.910 12.066 23.146 1.00 18.12 C ATOM 806 C ASN A1126 37.761 11.380 22.415 1.00 19.74 C ATOM 807 O ASN A1126 37.207 10.400 22.937 1.00 20.10 O ATOM 808 CB ASN A1126 38.410 13.241 24.018 1.00 19.02 C ATOM 809 CG ASN A1126 39.405 13.634 25.084 1.00 24.27 C ATOM 810 OD1 ASN A1126 40.118 12.797 25.632 1.00 27.40 O ATOM 811 ND2 ASN A1126 39.450 14.930 25.405 1.00 25.86 N ATOM 812 HD22 ASN A1126 38.830 15.608 24.918 1.00 0.00 H ATOM 813 HD21 ASN A1126 40.105 15.261 26.142 1.00 0.00 H ATOM 814 H ASN A1126 40.142 13.551 22.126 1.00 0.00 H ATOM 815 N ASN A1127 37.430 11.803 21.199 1.00 17.16 N ATOM 816 CA ASN A1127 36.413 11.097 20.409 1.00 16.60 C ATOM 817 C ASN A1127 36.845 9.656 20.152 1.00 19.67 C ATOM 818 O ASN A1127 36.060 8.713 20.325 1.00 20.80 O ATOM 819 CB ASN A1127 36.168 11.790 19.071 1.00 17.38 C ATOM 820 CG ASN A1127 35.401 13.072 19.191 1.00 19.92 C ATOM 821 OD1 ASN A1127 34.777 13.365 20.205 1.00 21.60 O ATOM 822 ND2 ASN A1127 35.484 13.843 18.155 1.00 18.24 N ATOM 823 HD22 ASN A1127 36.029 13.539 17.323 1.00 0.00 H ATOM 824 HD21 ASN A1127 35.006 14.767 18.154 1.00 0.00 H ATOM 825 H ASN A1127 37.897 12.644 20.803 1.00 0.00 H ATOM 826 N ALA A1128 38.103 9.470 19.775 1.00 17.38 N ATOM 827 CA ALA A1128 38.550 8.122 19.443 1.00 18.26 C ATOM 828 C ALA A1128 38.624 7.241 20.683 1.00 19.16 C ATOM 829 O ALA A1128 38.291 6.047 20.618 1.00 19.43 O ATOM 830 CB ALA A1128 39.902 8.196 18.740 1.00 18.93 C ATOM 831 H ALA A1128 38.761 10.273 19.717 1.00 0.00 H ATOM 832 N TRP A1129 39.043 7.798 21.831 1.00 18.49 N ATOM 833 CA TRP A1129 39.044 7.001 23.048 1.00 17.59 C ATOM 834 C TRP A1129 37.635 6.718 23.534 1.00 22.34 C ATOM 835 O TRP A1129 37.416 5.710 24.225 1.00 22.88 O ATOM 836 CB TRP A1129 39.835 7.683 24.161 1.00 17.99 C ATOM 837 CG TRP A1129 41.320 7.723 23.978 1.00 18.50 C ATOM 838 CD1 TRP A1129 42.126 6.701 23.545 1.00 18.80 C ATOM 839 CD2 TRP A1129 42.188 8.830 24.250 1.00 19.13 C ATOM 840 NE1 TRP A1129 43.439 7.110 23.520 1.00 18.13 N ATOM 841 CE2 TRP A1129 43.503 8.419 23.952 1.00 21.71 C ATOM 842 CE3 TRP A1129 41.975 10.142 24.710 1.00 19.34 C ATOM 843 CZ2 TRP A1129 44.612 9.264 24.106 1.00 19.06 C ATOM 844 CZ3 TRP A1129 43.081 10.996 24.847 1.00 19.71 C ATOM 845 CH2 TRP A1129 44.374 10.560 24.548 1.00 22.05 C ATOM 846 HE1 TRP A1129 44.249 6.529 23.224 1.00 0.00 H ATOM 847 H TRP A1129 39.363 8.787 21.850 1.00 0.00 H ATOM 848 N LEU A1130 36.684 7.585 23.207 1.00 24.66 N ATOM 849 CA LEU A1130 35.297 7.364 23.587 1.00 24.23 C ATOM 850 C LEU A1130 34.681 6.245 22.769 1.00 23.44 C ATOM 851 O LEU A1130 34.041 5.341 23.327 1.00 28.72 O ATOM 852 CB LEU A1130 34.495 8.659 23.404 1.00 22.35 C ATOM 853 CG LEU A1130 32.984 8.509 23.617 1.00 27.72 C ATOM 854 CD1 LEU A1130 32.709 8.133 25.059 1.00 32.92 C ATOM 855 CD2 LEU A1130 32.266 9.814 23.201 1.00 25.62 C ATOM 856 H LEU A1130 36.935 8.439 22.669 1.00 0.00 H ATOM 857 N TYR A1131 34.864 6.278 21.451 1.00 21.71 N ATOM 858 CA TYR A1131 34.121 5.374 20.581 1.00 24.49 C ATOM 859 C TYR A1131 34.748 3.986 20.534 1.00 27.90 C ATOM 860 O TYR A1131 34.029 2.976 20.555 1.00 26.02 O ATOM 861 CB TYR A1131 34.022 5.924 19.159 1.00 22.62 C ATOM 862 CG TYR A1131 33.208 4.991 18.320 1.00 26.10 C ATOM 863 CD1 TYR A1131 31.826 5.015 18.373 1.00 30.64 C ATOM 864 CD2 TYR A1131 33.822 4.015 17.554 1.00 23.73 C ATOM 865 CE1 TYR A1131 31.069 4.100 17.663 1.00 31.33 C ATOM 866 CE2 TYR A1131 33.066 3.081 16.843 1.00 27.02 C ATOM 867 CZ TYR A1131 31.697 3.147 16.888 1.00 29.75 C ATOM 868 OH TYR A1131 30.937 2.220 16.183 1.00 31.76 O ATOM 869 HH TYR A1131 29.975 2.409 16.323 1.00 0.00 H ATOM 870 H TYR A1131 35.541 6.952 21.039 1.00 0.00 H ATOM 871 N ASN A1132 36.072 3.923 20.460 1.00 24.66 N ATOM 872 CA ASN A1132 36.781 2.662 20.220 1.00 21.22 C ATOM 873 C ASN A1132 37.112 1.943 21.510 1.00 21.94 C ATOM 874 O ASN A1132 37.388 2.567 22.533 1.00 24.94 O ATOM 875 CB ASN A1132 38.067 2.942 19.433 1.00 19.71 C ATOM 876 CG ASN A1132 37.770 3.586 18.091 1.00 18.66 C ATOM 877 OD1 ASN A1132 37.425 2.928 17.128 1.00 21.95 O ATOM 878 ND2 ASN A1132 37.849 4.915 18.040 1.00 19.03 N ATOM 879 HD22 ASN A1132 38.147 5.451 18.880 1.00 0.00 H ATOM 880 HD21 ASN A1132 37.612 5.417 17.160 1.00 0.00 H ATOM 881 H ASN A1132 36.624 4.796 20.576 1.00 0.00 H ATOM 882 N ARG A1133 37.149 0.603 21.447 1.00 22.44 N ATOM 883 CA ARG A1133 37.506 -0.152 22.630 1.00 26.32 C ATOM 884 C ARG A1133 38.995 -0.021 22.939 1.00 21.75 C ATOM 885 O ARG A1133 39.819 0.247 22.056 1.00 22.34 O ATOM 886 CB ARG A1133 37.160 -1.635 22.447 1.00 29.71 C ATOM 887 CG ARG A1133 35.715 -1.881 22.067 1.00 42.08 C ATOM 888 CD ARG A1133 34.786 -1.681 23.263 1.00 63.51 C ATOM 889 NE ARG A1133 34.721 -0.288 23.705 1.00 70.35 N ATOM 890 CZ ARG A1133 33.868 0.614 23.222 1.00 66.51 C ATOM 891 NH1 ARG A1133 33.880 1.858 23.688 1.00 58.95 N ATOM 892 NH2 ARG A1133 33.001 0.274 22.274 1.00 67.18 N ATOM 893 HE ARG A1133 35.384 0.018 24.445 1.00 0.00 H ATOM 894 HH12 ARG A1133 33.214 2.561 23.310 1.00 0.00 H ATOM 895 HH11 ARG A1133 34.556 2.129 24.431 1.00 0.00 H ATOM 896 HH22 ARG A1133 32.337 0.981 21.899 1.00 0.00 H ATOM 897 HH21 ARG A1133 32.987 -0.699 21.907 1.00 0.00 H ATOM 898 H ARG A1133 36.924 0.112 20.558 1.00 0.00 H ATOM 899 N LYS A1134 39.329 -0.185 24.223 1.00 23.78 N ATOM 900 CA LYS A1134 40.682 0.073 24.686 1.00 21.73 C ATOM 901 C LYS A1134 41.702 -0.873 24.061 1.00 27.76 C ATOM 902 O LYS A1134 42.897 -0.547 24.044 1.00 30.57 O ATOM 903 CB LYS A1134 40.735 -0.009 26.223 1.00 26.19 C ATOM 904 CG LYS A1134 40.445 -1.416 26.781 1.00 28.62 C ATOM 905 CD LYS A1134 40.226 -1.431 28.303 1.00 33.75 C ATOM 906 CE LYS A1134 39.524 -2.752 28.711 1.00 33.66 C ATOM 907 NZ LYS A1134 39.347 -2.957 30.190 1.00 37.22 N ATOM 908 HZ1 LYS A1134 40.279 -2.963 30.652 1.00 0.00 H ATOM 909 HZ2 LYS A1134 38.771 -2.184 30.579 1.00 0.00 H ATOM 910 HZ3 LYS A1134 38.870 -3.866 30.358 1.00 0.00 H ATOM 911 H LYS A1134 38.608 -0.503 24.902 1.00 0.00 H ATOM 912 N THR A1135 41.262 -2.019 23.541 1.00 26.14 N ATOM 913 CA THR A1135 42.128 -2.991 22.896 1.00 30.65 C ATOM 914 C THR A1135 42.233 -2.808 21.390 1.00 27.30 C ATOM 915 O THR A1135 42.958 -3.566 20.737 1.00 29.05 O ATOM 916 CB THR A1135 41.616 -4.400 23.193 1.00 30.73 C ATOM 917 OG1 THR A1135 40.198 -4.422 22.969 1.00 36.59 O ATOM 918 CG2 THR A1135 41.890 -4.748 24.627 1.00 33.68 C ATOM 919 HG1 THR A1135 40.010 -4.184 22.027 1.00 0.00 H ATOM 920 H THR A1135 40.245 -2.228 23.600 1.00 0.00 H ATOM 921 N SER A1136 41.530 -1.843 20.824 1.00 22.41 N ATOM 922 CA SER A1136 41.465 -1.724 19.381 1.00 22.15 C ATOM 923 C SER A1136 42.667 -0.969 18.825 1.00 21.33 C ATOM 924 O SER A1136 43.288 -0.133 19.498 1.00 20.66 O ATOM 925 CB SER A1136 40.183 -1.014 18.971 1.00 21.69 C ATOM 926 OG SER A1136 40.160 0.369 19.370 1.00 21.38 O ATOM 927 HG SER A1136 40.238 0.428 20.355 1.00 0.00 H ATOM 928 H SER A1136 41.018 -1.162 21.420 1.00 0.00 H ATOM 929 N ARG A1137 42.927 -1.208 17.536 1.00 21.44 N ATOM 930 CA ARG A1137 44.007 -0.514 16.826 1.00 20.79 C ATOM 931 C ARG A1137 43.828 1.000 16.851 1.00 19.62 C ATOM 932 O ARG A1137 44.783 1.736 17.105 1.00 19.07 O ATOM 933 CB ARG A1137 44.095 -1.026 15.381 1.00 23.99 C ATOM 934 CG ARG A1137 45.226 -0.408 14.519 1.00 20.77 C ATOM 935 CD ARG A1137 45.229 -1.071 13.126 1.00 21.84 C ATOM 936 NE ARG A1137 45.405 -2.513 13.247 1.00 22.67 N ATOM 937 CZ ARG A1137 46.595 -3.102 13.268 1.00 23.24 C ATOM 938 NH1 ARG A1137 47.695 -2.343 13.210 1.00 22.65 N ATOM 939 NH2 ARG A1137 46.699 -4.426 13.421 1.00 24.46 N ATOM 940 HE ARG A1137 44.557 -3.110 13.321 1.00 0.00 H ATOM 941 HH12 ARG A1137 48.635 -2.788 13.225 1.00 0.00 H ATOM 942 HH11 ARG A1137 47.610 -1.308 13.150 1.00 0.00 H ATOM 943 HH22 ARG A1137 47.637 -4.876 13.436 1.00 0.00 H ATOM 944 HH21 ARG A1137 45.842 -5.006 13.525 1.00 0.00 H ATOM 945 H ARG A1137 42.349 -1.904 17.023 1.00 0.00 H ATOM 946 N VAL A1138 42.625 1.494 16.559 1.00 19.29 N ATOM 947 CA VAL A1138 42.468 2.945 16.505 1.00 18.26 C ATOM 948 C VAL A1138 42.676 3.556 17.886 1.00 17.91 C ATOM 949 O VAL A1138 43.281 4.625 18.008 1.00 17.21 O ATOM 950 CB VAL A1138 41.103 3.333 15.910 1.00 18.07 C ATOM 951 CG1 VAL A1138 40.845 4.836 16.112 1.00 18.73 C ATOM 952 CG2 VAL A1138 41.040 3.010 14.412 1.00 23.39 C ATOM 953 H VAL A1138 41.819 0.863 16.374 1.00 0.00 H ATOM 954 N TYR A1139 42.192 2.903 18.950 1.00 18.46 N ATOM 955 CA TYR A1139 42.440 3.426 20.291 1.00 18.25 C ATOM 956 C TYR A1139 43.944 3.490 20.577 1.00 18.14 C ATOM 957 O TYR A1139 44.455 4.491 21.092 1.00 17.56 O ATOM 958 CB TYR A1139 41.715 2.544 21.318 1.00 19.06 C ATOM 959 CG TYR A1139 41.682 3.026 22.758 1.00 19.00 C ATOM 960 CD1 TYR A1139 42.799 2.953 23.572 1.00 19.08 C ATOM 961 CD2 TYR A1139 40.495 3.517 23.313 1.00 18.98 C ATOM 962 CE1 TYR A1139 42.757 3.391 24.891 1.00 24.57 C ATOM 963 CE2 TYR A1139 40.443 3.912 24.627 1.00 19.37 C ATOM 964 CZ TYR A1139 41.559 3.863 25.403 1.00 22.29 C ATOM 965 OH TYR A1139 41.500 4.279 26.718 1.00 24.73 O ATOM 966 HH TYR A1139 42.392 4.178 27.135 1.00 0.00 H ATOM 967 H TYR A1139 41.643 2.029 18.822 1.00 0.00 H ATOM 968 N LYS A1140 44.679 2.415 20.253 1.00 18.78 N ATOM 969 CA LYS A1140 46.119 2.396 20.515 1.00 18.79 C ATOM 970 C LYS A1140 46.865 3.428 19.674 1.00 18.07 C ATOM 971 O LYS A1140 47.776 4.112 20.173 1.00 17.72 O ATOM 972 CB LYS A1140 46.681 0.995 20.262 1.00 19.75 C ATOM 973 CG LYS A1140 46.223 -0.048 21.271 1.00 20.62 C ATOM 974 CD LYS A1140 46.678 -1.437 20.829 1.00 21.66 C ATOM 975 CE LYS A1140 46.258 -2.384 21.914 1.00 22.56 C ATOM 976 NZ LYS A1140 46.865 -3.727 21.666 1.00 23.68 N ATOM 977 HZ1 LYS A1140 46.541 -4.088 20.746 1.00 0.00 H ATOM 978 HZ2 LYS A1140 47.902 -3.642 21.661 1.00 0.00 H ATOM 979 HZ3 LYS A1140 46.573 -4.382 22.419 1.00 0.00 H ATOM 980 H LYS A1140 44.223 1.590 19.813 1.00 0.00 H ATOM 981 N TYR A1141 46.470 3.586 18.409 1.00 17.88 N ATOM 982 CA TYR A1141 47.089 4.611 17.576 1.00 17.26 C ATOM 983 C TYR A1141 46.804 6.011 18.119 1.00 16.46 C ATOM 984 O TYR A1141 47.692 6.864 18.146 1.00 16.09 O ATOM 985 CB TYR A1141 46.566 4.504 16.146 1.00 17.29 C ATOM 986 CG TYR A1141 47.138 3.364 15.307 1.00 18.08 C ATOM 987 CD1 TYR A1141 48.016 2.402 15.838 1.00 18.77 C ATOM 988 CD2 TYR A1141 46.813 3.284 13.967 1.00 18.19 C ATOM 989 CE1 TYR A1141 48.552 1.373 15.020 1.00 19.60 C ATOM 990 CE2 TYR A1141 47.341 2.275 13.160 1.00 19.00 C ATOM 991 CZ TYR A1141 48.201 1.334 13.676 1.00 19.71 C ATOM 992 OH TYR A1141 48.707 0.334 12.853 1.00 20.63 O ATOM 993 HH TYR A1141 49.305 -0.254 13.379 1.00 0.00 H ATOM 994 H TYR A1141 45.722 2.979 18.018 1.00 0.00 H ATOM 995 N CYS A1142 45.587 6.242 18.599 1.00 16.31 N ATOM 996 CA CYS A1142 45.258 7.503 19.264 1.00 15.70 C ATOM 997 C CYS A1142 46.205 7.773 20.424 1.00 16.15 C ATOM 998 O CYS A1142 46.722 8.893 20.579 1.00 15.93 O ATOM 999 CB CYS A1142 43.815 7.434 19.751 1.00 15.79 C ATOM 1000 SG CYS A1142 43.326 9.036 20.426 1.00 17.40 S ATOM 1001 H CYS A1142 44.853 5.512 18.500 1.00 0.00 H ATOM 1002 N SER A1143 46.392 6.768 21.289 1.00 16.32 N ATOM 1003 CA SER A1143 47.287 6.950 22.427 1.00 16.42 C ATOM 1004 C SER A1143 48.690 7.308 21.965 1.00 17.11 C ATOM 1005 O SER A1143 49.354 8.149 22.569 1.00 17.21 O ATOM 1006 CB SER A1143 47.297 5.674 23.291 1.00 17.21 C ATOM 1007 OG SER A1143 45.991 5.460 23.837 1.00 19.35 O ATOM 1008 HG SER A1143 45.997 4.640 24.392 1.00 0.00 H ATOM 1009 H SER A1143 45.901 5.862 21.150 1.00 0.00 H ATOM 1010 N LYS A1144 49.178 6.670 20.904 1.00 16.50 N ATOM 1011 CA LYS A1144 50.496 7.014 20.387 1.00 16.56 C ATOM 1012 C LYS A1144 50.546 8.475 19.952 1.00 16.91 C ATOM 1013 O LYS A1144 51.464 9.216 20.331 1.00 15.84 O ATOM 1014 CB LYS A1144 50.855 6.071 19.234 1.00 18.05 C ATOM 1015 CG LYS A1144 52.189 6.395 18.556 1.00 20.53 C ATOM 1016 CD LYS A1144 53.321 6.348 19.532 1.00 23.84 C ATOM 1017 CE LYS A1144 54.604 6.783 18.826 1.00 33.61 C ATOM 1018 NZ LYS A1144 55.811 6.721 19.693 1.00 42.95 N ATOM 1019 HZ1 LYS A1144 55.680 7.347 20.513 1.00 0.00 H ATOM 1020 HZ2 LYS A1144 55.952 5.744 20.020 1.00 0.00 H ATOM 1021 HZ3 LYS A1144 56.643 7.029 19.150 1.00 0.00 H ATOM 1022 H LYS A1144 48.618 5.925 20.443 1.00 0.00 H ATOM 1023 N LEU A1145 49.557 8.914 19.171 1.00 15.41 N ATOM 1024 CA LEU A1145 49.553 10.308 18.734 1.00 14.85 C ATOM 1025 C LEU A1145 49.494 11.231 19.936 1.00 14.60 C ATOM 1026 O LEU A1145 50.106 12.304 19.923 1.00 14.37 O ATOM 1027 CB LEU A1145 48.387 10.636 17.779 1.00 15.58 C ATOM 1028 CG LEU A1145 48.326 10.029 16.386 1.00 26.11 C ATOM 1029 CD1 LEU A1145 47.388 10.889 15.518 1.00 18.81 C ATOM 1030 CD2 LEU A1145 49.671 9.850 15.737 1.00 23.27 C ATOM 1031 H LEU A1145 48.796 8.270 18.876 1.00 0.00 H ATOM 1032 N SER A1146 48.699 10.884 20.950 1.00 14.71 N ATOM 1033 CA SER A1146 48.607 11.785 22.105 1.00 14.57 C ATOM 1034 C SER A1146 49.945 11.909 22.819 1.00 15.54 C ATOM 1035 O SER A1146 50.254 12.984 23.356 1.00 15.63 O ATOM 1036 CB SER A1146 47.494 11.335 23.059 1.00 15.67 C ATOM 1037 OG SER A1146 47.866 10.216 23.856 1.00 19.39 O ATOM 1038 HG SER A1146 48.086 9.451 23.267 1.00 0.00 H ATOM 1039 H SER A1146 48.158 9.996 20.923 1.00 0.00 H ATOM 1040 N GLU A1147 50.728 10.829 22.896 1.00 16.35 N ATOM 1041 CA GLU A1147 52.049 10.892 23.511 1.00 17.36 C ATOM 1042 C GLU A1147 52.967 11.810 22.723 1.00 16.68 C ATOM 1043 O GLU A1147 53.664 12.665 23.292 1.00 20.93 O ATOM 1044 CB GLU A1147 52.637 9.481 23.600 1.00 19.52 C ATOM 1045 CG GLU A1147 51.838 8.570 24.519 1.00 36.23 C ATOM 1046 CD GLU A1147 51.985 7.092 24.181 1.00 54.56 C ATOM 1047 OE1 GLU A1147 51.124 6.299 24.625 1.00 60.06 O ATOM 1048 OE2 GLU A1147 52.950 6.727 23.472 1.00 52.67 O ATOM 1049 H GLU A1147 50.389 9.925 22.510 1.00 0.00 H ATOM 1050 N VAL A1148 52.947 11.698 21.399 1.00 17.62 N ATOM 1051 CA VAL A1148 53.745 12.586 20.571 1.00 15.62 C ATOM 1052 C VAL A1148 53.281 14.022 20.749 1.00 17.88 C ATOM 1053 O VAL A1148 54.098 14.937 20.898 1.00 18.30 O ATOM 1054 CB VAL A1148 53.648 12.138 19.100 1.00 16.60 C ATOM 1055 CG1 VAL A1148 54.292 13.164 18.146 1.00 18.75 C ATOM 1056 CG2 VAL A1148 54.269 10.733 18.930 1.00 18.58 C ATOM 1057 H VAL A1148 52.355 10.969 20.952 1.00 0.00 H ATOM 1058 N PHE A1149 51.964 14.247 20.766 1.00 14.35 N ATOM 1059 CA PHE A1149 51.470 15.612 20.900 1.00 14.03 C ATOM 1060 C PHE A1149 51.924 16.235 22.205 1.00 17.86 C ATOM 1061 O PHE A1149 52.322 17.406 22.232 1.00 17.91 O ATOM 1062 CB PHE A1149 49.951 15.642 20.825 1.00 14.18 C ATOM 1063 CG PHE A1149 49.400 17.038 20.784 1.00 13.50 C ATOM 1064 CD1 PHE A1149 49.610 17.827 19.656 1.00 13.28 C ATOM 1065 CD2 PHE A1149 48.733 17.569 21.877 1.00 17.56 C ATOM 1066 CE1 PHE A1149 49.125 19.119 19.606 1.00 15.16 C ATOM 1067 CE2 PHE A1149 48.243 18.882 21.835 1.00 15.79 C ATOM 1068 CZ PHE A1149 48.438 19.641 20.693 1.00 14.10 C ATOM 1069 H PHE A1149 51.296 13.454 20.684 1.00 0.00 H ATOM 1070 N GLU A1150 51.812 15.485 23.315 1.00 14.83 N ATOM 1071 CA GLU A1150 52.180 16.052 24.607 1.00 19.72 C ATOM 1072 C GLU A1150 53.634 16.511 24.595 1.00 24.27 C ATOM 1073 O GLU A1150 53.957 17.594 25.117 1.00 25.36 O ATOM 1074 CB GLU A1150 51.913 15.034 25.725 1.00 20.93 C ATOM 1075 CG GLU A1150 50.421 14.862 25.988 1.00 35.55 C ATOM 1076 CD GLU A1150 50.098 13.631 26.822 1.00 52.82 C ATOM 1077 OE1 GLU A1150 49.089 13.671 27.549 1.00 43.29 O ATOM 1078 OE2 GLU A1150 50.845 12.628 26.744 1.00 63.86 O ATOM 1079 H GLU A1150 51.465 14.507 23.253 1.00 0.00 H ATOM 1080 N GLN A1151 54.516 15.730 23.969 1.00 19.69 N ATOM 1081 CA GLN A1151 55.929 16.089 23.870 1.00 21.81 C ATOM 1082 C GLN A1151 56.125 17.356 23.050 1.00 23.68 C ATOM 1083 O GLN A1151 56.937 18.215 23.409 1.00 29.79 O ATOM 1084 CB GLN A1151 56.735 14.945 23.241 1.00 27.42 C ATOM 1085 CG GLN A1151 56.802 13.668 24.031 1.00 46.64 C ATOM 1086 CD GLN A1151 57.585 12.600 23.285 1.00 67.68 C ATOM 1087 OE1 GLN A1151 58.452 12.912 22.465 1.00 67.02 O ATOM 1088 NE2 GLN A1151 57.273 11.335 23.553 1.00 80.91 N ATOM 1089 HE22 GLN A1151 56.535 11.119 24.253 1.00 0.00 H ATOM 1090 HE21 GLN A1151 57.768 10.562 23.063 1.00 0.00 H ATOM 1091 H GLN A1151 54.189 14.841 23.540 1.00 0.00 H ATOM 1092 N GLU A1152 55.407 17.477 21.935 1.00 18.24 N ATOM 1093 CA GLU A1152 55.627 18.562 20.999 1.00 18.91 C ATOM 1094 C GLU A1152 54.996 19.859 21.484 1.00 20.74 C ATOM 1095 O GLU A1152 55.581 20.932 21.302 1.00 19.21 O ATOM 1096 CB GLU A1152 55.048 18.204 19.632 1.00 19.27 C ATOM 1097 CG GLU A1152 55.785 17.081 18.941 1.00 23.30 C ATOM 1098 CD GLU A1152 57.015 17.547 18.215 1.00 39.70 C ATOM 1099 OE1 GLU A1152 57.966 16.742 18.116 1.00 45.20 O ATOM 1100 OE2 GLU A1152 57.020 18.710 17.736 1.00 44.42 O ATOM 1101 H GLU A1152 54.668 16.774 21.730 1.00 0.00 H ATOM 1102 N ILE A1153 53.816 19.783 22.104 1.00 19.95 N ATOM 1103 CA ILE A1153 53.056 21.007 22.358 1.00 17.43 C ATOM 1104 C ILE A1153 53.602 21.753 23.562 1.00 20.29 C ATOM 1105 O ILE A1153 53.433 22.969 23.662 1.00 18.64 O ATOM 1106 CB ILE A1153 51.569 20.667 22.537 1.00 17.83 C ATOM 1107 CG1 ILE A1153 50.698 21.921 22.450 1.00 17.34 C ATOM 1108 CG2 ILE A1153 51.344 19.936 23.852 1.00 19.07 C ATOM 1109 CD1 ILE A1153 50.834 22.637 21.136 1.00 18.30 C ATOM 1110 H ILE A1153 53.440 18.861 22.404 1.00 0.00 H ATOM 1111 N ASP A1154 54.226 21.055 24.507 1.00 19.85 N ATOM 1112 CA ASP A1154 54.579 21.702 25.767 1.00 21.40 C ATOM 1113 C ASP A1154 55.574 22.839 25.570 1.00 22.09 C ATOM 1114 O ASP A1154 55.311 23.960 26.047 1.00 22.74 O ATOM 1115 CB ASP A1154 55.114 20.639 26.735 1.00 28.39 C ATOM 1116 CG ASP A1154 55.328 21.178 28.136 1.00 51.41 C ATOM 1117 OD1 ASP A1154 54.416 21.845 28.666 1.00 51.12 O ATOM 1118 OD2 ASP A1154 56.411 20.934 28.706 1.00 65.63 O ATOM 1119 H ASP A1154 54.461 20.054 24.349 1.00 0.00 H ATOM 1120 N PRO A1155 56.696 22.657 24.887 1.00 21.35 N ATOM 1121 CA PRO A1155 57.602 23.803 24.707 1.00 23.02 C ATOM 1122 C PRO A1155 57.020 24.893 23.832 1.00 25.67 C ATOM 1123 O PRO A1155 57.367 26.070 23.985 1.00 25.69 O ATOM 1124 CB PRO A1155 58.845 23.177 24.066 1.00 22.93 C ATOM 1125 CG PRO A1155 58.362 21.866 23.490 1.00 24.25 C ATOM 1126 CD PRO A1155 57.310 21.394 24.439 1.00 21.50 C ATOM 1127 N VAL A1156 56.133 24.538 22.907 1.00 20.75 N ATOM 1128 CA VAL A1156 55.537 25.525 22.022 1.00 18.42 C ATOM 1129 C VAL A1156 54.585 26.434 22.788 1.00 21.55 C ATOM 1130 O VAL A1156 54.559 27.653 22.569 1.00 22.80 O ATOM 1131 CB VAL A1156 54.811 24.799 20.875 1.00 19.05 C ATOM 1132 CG1 VAL A1156 53.971 25.768 20.076 1.00 22.50 C ATOM 1133 CG2 VAL A1156 55.796 24.129 19.971 1.00 20.68 C ATOM 1134 H VAL A1156 55.861 23.538 22.815 1.00 0.00 H ATOM 1135 N MET A1157 53.773 25.863 23.676 1.00 20.28 N ATOM 1136 CA MET A1157 52.854 26.699 24.441 1.00 21.13 C ATOM 1137 C MET A1157 53.605 27.558 25.435 1.00 24.18 C ATOM 1138 O MET A1157 53.180 28.689 25.711 1.00 25.32 O ATOM 1139 CB MET A1157 51.793 25.825 25.116 1.00 19.26 C ATOM 1140 CG MET A1157 50.901 25.109 24.088 1.00 18.52 C ATOM 1141 SD MET A1157 49.942 26.195 23.032 1.00 22.29 S ATOM 1142 CE MET A1157 48.792 26.856 24.217 1.00 21.50 C ATOM 1143 H MET A1157 53.794 24.834 23.822 1.00 0.00 H ATOM 1144 N GLN A1158 54.735 27.071 25.955 1.00 20.09 N ATOM 1145 CA GLN A1158 55.589 27.940 26.771 1.00 30.20 C ATOM 1146 C GLN A1158 56.019 29.184 25.993 1.00 32.82 C ATOM 1147 O GLN A1158 55.958 30.310 26.512 1.00 30.60 O ATOM 1148 CB GLN A1158 56.813 27.165 27.259 1.00 29.74 C ATOM 1149 CG GLN A1158 56.530 26.163 28.366 1.00 52.07 C ATOM 1150 CD GLN A1158 56.490 26.798 29.753 1.00 70.13 C ATOM 1151 OE1 GLN A1158 56.789 27.984 29.920 1.00 72.91 O ATOM 1152 NE2 GLN A1158 56.119 26.006 30.755 1.00 75.37 N ATOM 1153 HE22 GLN A1158 55.875 25.012 30.569 1.00 0.00 H ATOM 1154 HE21 GLN A1158 56.072 26.381 31.724 1.00 0.00 H ATOM 1155 H GLN A1158 55.007 26.082 25.782 1.00 0.00 H ATOM 1156 N SER A1159 56.476 29.000 24.749 1.00 27.55 N ATOM 1157 CA SER A1159 56.933 30.132 23.940 1.00 29.71 C ATOM 1158 C SER A1159 55.793 31.088 23.585 1.00 30.94 C ATOM 1159 O SER A1159 55.998 32.304 23.496 1.00 42.91 O ATOM 1160 CB SER A1159 57.600 29.617 22.662 1.00 34.41 C ATOM 1161 OG SER A1159 58.526 28.599 22.952 1.00 42.56 O ATOM 1162 HG SER A1159 58.059 27.846 23.393 1.00 0.00 H ATOM 1163 H SER A1159 56.507 28.040 24.351 1.00 0.00 H ATOM 1164 N LEU A1160 54.597 30.554 23.326 1.00 30.41 N ATOM 1165 CA LEU A1160 53.453 31.383 22.946 1.00 28.76 C ATOM 1166 C LEU A1160 52.895 32.161 24.131 1.00 45.64 C ATOM 1167 O LEU A1160 52.402 33.285 23.966 1.00 52.75 O ATOM 1168 CB LEU A1160 52.353 30.499 22.350 1.00 26.08 C ATOM 1169 CG LEU A1160 52.585 30.024 20.924 1.00 27.72 C ATOM 1170 CD1 LEU A1160 51.488 29.034 20.536 1.00 25.24 C ATOM 1171 CD2 LEU A1160 52.617 31.179 19.945 1.00 28.79 C ATOM 1172 H LEU A1160 54.476 29.523 23.396 1.00 0.00 H ATOM 1173 N GLY A1161 52.940 31.575 25.325 1.00 36.74 N ATOM 1174 CA GLY A1161 52.234 32.129 26.473 1.00 40.68 C ATOM 1175 C GLY A1161 52.900 33.332 27.096 1.00 41.37 C ATOM 1176 O GLY A1161 52.414 33.871 28.089 1.00 40.57 O ATOM 1177 OXT GLY A1161 53.941 33.802 26.628 1.00 51.79 O ATOM 1178 H GLY A1161 53.492 30.701 25.441 1.00 0.00 H TER 1179 GLY A1161 HETATM 1180 O HOH 1 55.014 6.141 14.792 1.00 34.16 O HETATM 1181 O HOH 2 37.701 33.844 19.578 1.00 44.27 O HETATM 1182 O HOH 3 55.443 8.023 21.718 1.00 40.22 O HETATM 1183 O HOH 4 41.275 1.793 11.161 1.00 33.77 O HETATM 1184 O HOH 5 28.279 9.873 23.450 1.00 39.89 O HETATM 1185 O HOH 6 37.001 29.457 14.594 1.00 26.43 O HETATM 1186 O HOH 7 54.739 2.072 14.792 1.00 32.99 O HETATM 1187 O HOH 8 44.981 0.569 25.021 1.00 28.50 O HETATM 1188 O HOH 9 39.628 30.918 23.032 1.00 34.22 O HETATM 1189 O HOH 10 50.409 44.298 14.767 1.00 47.53 O HETATM 1190 O HOH 11 58.632 18.108 25.378 1.00 32.63 O HETATM 1191 O HOH 12 37.361 22.159 20.089 1.00 22.94 O HETATM 1192 O HOH 13 36.789 8.928 16.610 1.00 21.57 O HETATM 1193 O HOH 14 52.224 1.497 17.388 1.00 34.01 O HETATM 1194 O HOH 15 39.376 10.361 11.568 1.00 22.47 O HETATM 1195 O HOH 16 44.719 15.273 6.052 1.00 28.14 O HETATM 1196 O HOH 17 56.217 12.112 14.640 1.00 29.71 O HETATM 1197 O HOH 18 59.652 26.765 25.149 1.00 35.52 O HETATM 1198 O HOH 19 47.706 29.667 4.795 1.00 35.66 O HETATM 1199 O HOH 20 50.919 -0.970 13.585 1.00 23.39 O HETATM 1200 O HOH 21 30.437 12.725 21.922 1.00 30.77 O HETATM 1201 O HOH 22 44.713 7.962 5.854 1.00 28.57 O HETATM 1202 O HOH 23 57.782 21.120 19.787 1.00 32.65 O HETATM 1203 O HOH 24 40.347 33.762 13.471 1.00 27.66 O HETATM 1204 O HOH 25 32.172 9.838 3.032 1.00 32.16 O HETATM 1205 O HOH 26 35.674 25.273 11.022 1.00 16.22 O HETATM 1206 O HOH 27 55.686 34.264 14.245 1.00 36.90 O HETATM 1207 O HOH 28 26.663 7.234 12.710 1.00 35.95 O HETATM 1208 O HOH 29 43.659 36.749 18.768 1.00 21.07 O HETATM 1209 O HOH 30 36.050 12.328 15.172 1.00 20.37 O HETATM 1210 O HOH 31 43.024 20.095 5.254 1.00 24.56 O HETATM 1211 O HOH 32 37.689 0.289 16.530 1.00 27.49 O HETATM 1212 O HOH 33 46.324 2.820 24.396 1.00 25.20 O HETATM 1213 O HOH 34 35.918 22.939 16.877 1.00 25.21 O HETATM 1214 O HOH 35 49.367 23.176 6.324 1.00 30.54 O HETATM 1215 O HOH 36 58.914 19.295 15.860 1.00 37.66 O HETATM 1216 O HOH 37 32.300 14.499 20.399 1.00 27.33 O HETATM 1217 O HOH 38 57.541 18.978 13.609 1.00 24.53 O HETATM 1218 O HOH 39 56.901 25.727 16.917 1.00 26.03 O HETATM 1219 O HOH 40 35.270 18.243 9.091 1.00 38.79 O HETATM 1220 O HOH 41 57.290 26.856 11.826 1.00 24.94 O HETATM 1221 O HOH 42 39.055 10.709 27.074 1.00 40.13 O HETATM 1222 O HOH 43 49.843 2.866 21.501 1.00 19.99 O HETATM 1223 O HOH 44 49.463 21.869 2.463 1.00 37.56 O HETATM 1224 O HOH 45 33.017 19.058 15.618 1.00 26.03 O HETATM 1225 O HOH 46 39.637 11.636 13.911 1.00 19.28 O HETATM 1226 O HOH 47 59.067 20.194 11.728 1.00 30.84 O HETATM 1227 O HOH 48 54.486 12.365 25.911 1.00 31.56 O HETATM 1228 O HOH 49 52.736 35.177 21.974 1.00 35.12 O HETATM 1229 O HOH 50 38.173 17.863 6.284 1.00 28.34 O HETATM 1230 O HOH 51 35.480 23.405 13.767 1.00 34.89 O HETATM 1231 O HOH 52 38.553 11.052 16.417 1.00 18.72 O HETATM 1232 O HOH 53 46.509 30.078 11.708 1.00 17.54 O HETATM 1233 O HOH 54 41.244 32.356 4.951 1.00 24.95 O HETATM 1234 O HOH 55 37.017 10.122 25.701 1.00 31.96 O HETATM 1235 O HOH 56 54.734 30.995 28.920 1.00 43.42 O HETATM 1236 O HOH 57 31.320 2.526 21.045 1.00 39.07 O HETATM 1237 O HOH 58 51.580 4.379 22.652 1.00 34.83 O HETATM 1238 O HOH 59 37.942 25.886 21.724 1.00 25.68 O HETATM 1239 O HOH 60 44.100 22.716 4.503 1.00 31.83 O HETATM 1240 O HOH 61 36.257 3.250 24.995 1.00 37.05 O HETATM 1241 O HOH 62 38.745 19.516 23.685 1.00 21.04 O HETATM 1242 O HOH 63 30.503 6.427 2.105 1.00 37.39 O HETATM 1243 O HOH 64 35.963 29.524 12.158 1.00 19.88 O HETATM 1244 O HOH 65 55.943 2.987 12.645 1.00 35.07 O HETATM 1245 O HOH 66 43.308 -4.194 14.071 1.00 35.17 O HETATM 1246 O HOH 67 41.844 12.237 27.781 1.00 44.08 O HETATM 1247 O HOH 68 42.195 16.607 2.587 1.00 39.34 O HETATM 1248 O HOH 69 40.520 20.444 3.944 1.00 29.96 O HETATM 1249 O HOH 70 38.558 24.851 19.373 1.00 21.44 O HETATM 1250 O HOH 71 44.335 34.505 14.573 1.00 22.93 O HETATM 1251 O HOH 72 44.269 30.675 12.893 1.00 22.15 O HETATM 1252 O HOH 73 36.295 15.118 11.533 1.00 20.51 O HETATM 1253 O HOH 74 36.714 25.067 7.422 1.00 27.25 O HETATM 1254 O HOH 75 32.233 12.088 7.464 1.00 31.82 O HETATM 1255 O HOH 76 43.024 36.755 21.364 1.00 37.70 O HETATM 1256 O HOH 77 49.334 27.235 5.196 1.00 35.45 O HETATM 1257 O HOH 78 37.999 12.207 2.885 1.00 39.70 O HETATM 1258 O HOH 79 35.634 -0.132 11.189 1.00 44.83 O HETATM 1259 O HOH 80 47.769 19.840 25.699 1.00 31.67 O HETATM 1260 O HOH 81 36.753 10.761 5.064 1.00 31.12 O HETATM 1261 O HOH 82 53.216 41.179 13.894 1.00 47.42 O HETATM 1262 O HOH 83 45.885 32.308 24.775 1.00 34.06 O HETATM 1263 O HOH 84 41.295 34.971 10.113 1.00 28.35 O HETATM 1264 O HOH 85 44.632 38.484 14.846 1.00 39.48 O HETATM 1265 O HOH 86 34.878 13.425 23.072 1.00 27.87 O HETATM 1266 O HOH 87 40.750 16.420 27.486 1.00 43.11 O HETATM 1267 O HOH 88 38.923 8.210 9.114 1.00 26.77 O HETATM 1268 O HOH 89 52.121 31.110 7.320 1.00 33.41 O HETATM 1269 O HOH 90 54.945 32.208 15.974 1.00 29.79 O HETATM 1270 O HOH 91 39.045 -4.439 20.324 1.00 41.36 O HETATM 1271 O HOH 92 33.293 12.159 11.205 1.00 24.68 O HETATM 1272 O HOH 93 44.281 40.636 28.409 1.00 32.19 O HETATM 1273 O HOH 94 56.698 9.517 8.408 1.00 29.55 O HETATM 1274 O HOH 95 58.566 11.271 8.849 1.00 27.56 O HETATM 1275 O HOH 96 27.506 13.774 15.444 1.00 35.36 O HETATM 1276 O HOH 97 37.770 26.241 17.210 1.00 30.33 O HETATM 1277 O HOH 98 37.710 17.035 24.377 1.00 28.90 O HETATM 1278 O HOH 99 33.862 0.424 19.148 1.00 35.08 O HETATM 1279 O HOH 100 32.412 -0.151 17.039 1.00 40.90 O HETATM 1280 O HOH 101 47.670 41.550 22.608 1.00 22.25 O HETATM 1281 O HOH 102 47.135 34.966 25.528 1.00 28.50 O HETATM 1282 O HOH 103 36.551 -0.689 18.880 1.00 27.86 O HETATM 1283 O HOH 104 41.729 -3.387 15.976 1.00 33.14 O HETATM 1284 O HOH 105 54.986 35.007 24.080 1.00 45.84 O HETATM 1285 O HOH 106 40.419 -0.210 15.554 1.00 24.84 O HETATM 1286 O HOH 107 37.104 -0.031 26.178 1.00 40.94 O HETATM 1287 O HOH 108 46.934 9.144 4.153 1.00 30.40 O HETATM 1288 O HOH 109 56.343 6.994 12.234 1.00 28.78 O HETATM 1289 O HOH 110 57.636 13.706 19.679 1.00 44.35 O HETATM 1290 O HOH 111 46.497 6.990 26.382 1.00 40.74 O HETATM 1291 O HOH 112 35.908 12.585 12.297 1.00 23.34 O HETATM 1292 O HOH 113 52.033 18.449 27.316 1.00 31.89 O HETATM 1293 O HOH 114 58.079 16.588 12.500 1.00 32.59 O HETATM 1294 O HOH 115 57.793 9.303 12.820 1.00 41.45 O HETATM 1295 O HOH 116 35.365 8.050 2.611 1.00 45.97 O HETATM 1296 O HOH 117 47.148 31.291 27.974 1.00 38.21 O HETATM 1297 O HOH 118 41.988 30.307 26.372 1.00 40.43 O HETATM 1298 O HOH 119 58.283 28.067 15.255 1.00 37.98 O HETATM 1299 O HOH 120 32.822 20.685 19.985 1.00 37.71 O HETATM 1300 O HOH 121 40.673 -0.572 13.014 1.00 33.99 O HETATM 1301 O HOH 122 50.519 39.604 16.962 1.00 38.40 O HETATM 1302 O HOH 123 49.202 32.827 28.022 1.00 30.10 O HETATM 1303 O HOH 124 37.828 -4.365 25.399 1.00 43.26 O HETATM 1304 O HOH 125 35.055 22.053 4.847 1.00 30.26 O HETATM 1305 O HOH 126 43.478 1.484 11.983 1.00 25.15 O HETATM 1306 O HOH 127 44.468 32.693 4.056 1.00 49.79 O HETATM 1307 O HOH 128 60.362 29.371 25.781 1.00 46.55 O HETATM 1308 O HOH 129 49.909 3.183 25.702 1.00 43.65 O HETATM 1309 O HOH 130 55.240 3.452 20.929 1.00 40.64 O HETATM 1310 O HOH 131 57.044 30.367 15.551 1.00 37.29 O HETATM 1311 O HOH 132 41.201 35.372 22.243 1.00 41.84 O HETATM 1312 O HOH 133 36.935 28.559 21.632 1.00 41.29 O HETATM 1313 O HOH 134 33.175 -2.812 12.477 1.00 52.66 O HETATM 1314 O HOH 135 34.088 20.760 9.730 1.00 38.26 O HETATM 1315 O HOH 136 39.417 34.361 21.347 1.00 42.46 O HETATM 1316 O HOH 137 54.288 35.971 13.481 1.00 44.75 O HETATM 1317 O HOH 138 43.423 18.363 27.655 1.00 39.42 O HETATM 1318 O HOH 139 59.369 10.969 11.339 1.00 43.60 O HETATM 1319 O HOH 140 54.626 2.127 18.788 1.00 40.52 O HETATM 1320 O HOH 141 32.028 16.338 22.321 1.00 37.47 O HETATM 1321 O HOH 142 34.825 25.895 16.871 1.00 33.85 O HETATM 1322 O HOH 143 34.946 12.109 25.566 1.00 37.83 O HETATM 1323 O HOH 144 35.163 17.847 6.589 1.00 32.36 O HETATM 1324 O HOH 145 36.549 21.084 22.502 1.00 32.01 O HETATM 1325 O HOH 146 37.631 28.851 4.965 1.00 25.33 O HETATM 1326 O HOH 147 36.411 -2.393 26.609 1.00 46.89 O HETATM 1327 O HOH 148 57.779 27.334 19.238 1.00 34.40 O HETATM 1328 O HOH 149 43.343 7.678 27.876 1.00 42.97 O HETATM 1329 O HOH 150 43.940 17.736 4.369 1.00 35.87 O HETATM 1330 O HOH 151 38.642 -2.150 12.612 1.00 47.43 O HETATM 1331 O HOH 152 32.918 21.467 7.467 1.00 34.61 O HETATM 1332 O HOH 153 35.627 15.813 24.149 1.00 30.61 O HETATM 1333 O HOH 154 59.678 24.515 20.791 1.00 44.08 O HETATM 1334 O HOH 155 25.812 7.681 10.126 1.00 40.72 O HETATM 1335 O HOH 156 42.233 38.212 16.806 1.00 40.61 O HETATM 1336 O HOH 157 34.069 16.139 10.453 1.00 28.84 O HETATM 1337 O HOH 158 42.059 35.948 14.092 1.00 33.20 O HETATM 1338 O HOH 159 30.706 19.126 14.155 1.00 36.12 O HETATM 1339 O HOH 160 37.435 2.806 27.468 1.00 50.61 O HETATM 1340 O HOH 161 59.966 24.791 27.249 1.00 41.34 O HETATM 1341 O HOH 162 32.084 14.226 10.018 1.00 26.75 O HETATM 1342 O HOH 163 48.771 1.912 23.858 1.00 27.55 O HETATM 1343 O HOH 164 33.794 21.122 17.331 1.00 34.90 O HETATM 1344 O HOH 165 41.318 19.820 27.609 1.00 46.49 O HETATM 1345 O HOH 166 37.112 -3.330 19.005 1.00 39.09 O HETATM 1346 O HOH 167 29.596 -3.246 6.930 1.00 56.35 O HETATM 1347 O HOH 168 58.252 23.383 17.050 1.00 33.35 O HETATM 1348 O HOH 169 36.053 -0.813 14.435 1.00 42.03 O HETATM 1349 O HOH 170 55.540 32.103 18.517 1.00 42.68 O HETATM 1350 O HOH 171 32.934 -4.594 25.043 1.00 51.99 O HETATM 1351 O HOH 172 45.884 41.273 14.276 1.00 48.05 O HETATM 1352 O HOH 173 58.968 24.761 11.492 1.00 22.80 O HETATM 1353 O HOH 174 48.961 22.257 25.839 1.00 34.09 O HETATM 1354 O HOH 175 39.581 25.985 2.627 1.00 46.71 O HETATM 1355 O HOH 176 59.974 24.159 13.968 1.00 35.43 O HETATM 1356 N1 UNN A 177 39.979 5.433 9.469 1.00 -0.28 N HETATM 1357 C10 UNN A 177 40.479 4.891 8.193 1.00 0.10 C HETATM 1358 C19 UNN A 177 39.903 5.602 6.981 1.00 -0.01 C HETATM 1359 C18 UNN A 177 38.621 6.149 7.041 1.00 -0.05 C HETATM 1360 C17 UNN A 177 38.086 6.769 5.931 1.00 0.03 C HETATM 1361 C16 UNN A 177 38.791 6.869 4.757 1.00 -0.06 C HETATM 1362 C15 UNN A 177 40.059 6.329 4.690 1.00 -0.07 C HETATM 1363 C14 UNN A 177 40.636 5.694 5.788 1.00 -0.04 C HETATM 1364 C13 UNN A 177 42.038 5.148 5.662 1.00 -0.02 C HETATM 1365 C12 UNN A 177 42.512 4.312 6.839 1.00 -0.01 C HETATM 1366 C11 UNN A 177 42.012 4.912 8.138 1.00 0.09 C HETATM 1367 O2 UNN A 177 42.506 4.170 9.251 1.00 -0.39 O HETATM 1368 H12 UNN A 177 43.456 4.171 9.235 1.00 0.21 H HETATM 1369 H15 UNN A 177 42.364 5.952 8.208 1.00 0.06 H HETATM 1370 H18 UNN A 177 43.612 4.288 6.849 1.00 0.03 H HETATM 1371 H19 UNN A 177 42.124 3.288 6.738 1.00 0.03 H HETATM 1372 H9 UNN A 177 42.726 5.999 5.549 1.00 0.04 H HETATM 1373 H10 UNN A 177 42.080 4.520 4.760 1.00 0.04 H HETATM 1374 H11 UNN A 177 40.618 6.400 3.764 1.00 0.05 H HETATM 1375 H13 UNN A 177 38.358 7.365 3.896 1.00 0.05 H HETATM 1376 CL UNN A 177 36.472 7.416 6.012 1.00 -0.08 CL HETATM 1377 H14 UNN A 177 38.046 6.087 7.958 1.00 0.05 H HETATM 1378 H8 UNN A 177 40.158 3.840 8.140 1.00 0.07 H HETATM 1379 C9 UNN A 177 39.295 4.629 10.285 1.00 0.20 C HETATM 1380 O1 UNN A 177 39.128 3.424 10.041 1.00 -0.40 O HETATM 1381 C3 UNN A 177 38.859 5.192 11.573 1.00 0.12 C HETATM 1382 C2 UNN A 177 37.924 4.724 12.484 1.00 -0.03 C HETATM 1383 C5 UNN A 177 37.882 5.699 13.545 1.00 0.03 C HETATM 1384 C4 UNN A 177 38.793 6.693 13.237 1.00 0.06 C HETATM 1385 C8 UNN A 177 39.260 7.879 14.020 1.00 -0.00 C HETATM 1386 H5 UNN A 177 39.999 8.440 13.429 1.00 0.04 H HETATM 1387 H6 UNN A 177 39.722 7.540 14.959 1.00 0.04 H HETATM 1388 H7 UNN A 177 38.402 8.529 14.248 1.00 0.04 H HETATM 1389 N UNN A 177 39.343 6.385 12.025 1.00 -0.27 N HETATM 1390 H20 UNN A 177 40.026 6.970 11.524 1.00 0.23 H HETATM 1391 C6 UNN A 177 37.036 5.757 14.741 1.00 0.10 C HETATM 1392 C7 UNN A 177 35.727 5.030 14.780 1.00 0.00 C HETATM 1393 H2 UNN A 177 35.245 5.195 15.755 1.00 0.04 H HETATM 1394 H3 UNN A 177 35.901 3.954 14.635 1.00 0.04 H HETATM 1395 H4 UNN A 177 35.074 5.407 13.979 1.00 0.04 H HETATM 1396 O UNN A 177 37.355 6.474 15.693 1.00 -0.40 O HETATM 1397 C1 UNN A 177 37.086 3.483 12.362 1.00 -0.03 C HETATM 1398 C UNN A 177 37.556 2.389 13.240 1.00 -0.06 C HETATM 1399 H21 UNN A 177 36.908 1.510 13.109 1.00 0.02 H HETATM 1400 H22 UNN A 177 37.519 2.719 14.289 1.00 0.02 H HETATM 1401 H23 UNN A 177 38.590 2.125 12.975 1.00 0.02 H HETATM 1402 H16 UNN A 177 37.120 3.136 11.319 1.00 0.04 H HETATM 1403 H17 UNN A 177 36.049 3.731 12.632 1.00 0.04 H HETATM 1404 H1 UNN A 177 40.149 6.386 9.719 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1356 1357 1379 1404 CONECT 1357 1356 1358 1366 1378 CONECT 1358 1357 1359 1363 CONECT 1359 1358 1360 1377 CONECT 1360 1359 1361 1376 CONECT 1361 1360 1362 1375 CONECT 1362 1361 1363 1374 CONECT 1363 1358 1362 1364 CONECT 1364 1363 1365 1372 1373 CONECT 1365 1364 1366 1370 1371 CONECT 1366 1357 1365 1367 1369 CONECT 1367 1366 1368 CONECT 1368 1367 CONECT 1369 1366 CONECT 1370 1365 CONECT 1371 1365 CONECT 1372 1364 CONECT 1373 1364 CONECT 1374 1362 CONECT 1375 1361 CONECT 1376 1360 CONECT 1377 1359 CONECT 1378 1357 CONECT 1379 1356 1380 1381 CONECT 1380 1379 CONECT 1381 1379 1382 1389 CONECT 1382 1381 1383 1397 CONECT 1383 1382 1384 1391 CONECT 1384 1383 1385 1389 CONECT 1385 1384 1386 1387 1388 CONECT 1386 1385 CONECT 1387 1385 CONECT 1388 1385 CONECT 1389 1381 1384 1390 CONECT 1390 1389 CONECT 1391 1383 1392 1396 CONECT 1392 1391 1393 1394 1395 CONECT 1393 1392 CONECT 1394 1392 CONECT 1395 1392 CONECT 1396 1391 CONECT 1397 1382 1398 1402 1403 CONECT 1398 1397 1399 1400 1401 CONECT 1399 1398 CONECT 1400 1398 CONECT 1401 1398 CONECT 1402 1397 CONECT 1403 1397 CONECT 1404 1356 MASTER 0 0 0 0 0 0 0 0 1403 1 53 9 END
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Related entries of code: 5lpm
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5mmg
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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
5lpm
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone acetyltransferase p300
Ligand Name
71Y
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=2.77uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Angew. Chem. Int. Ed. Engl. Vol. 56: pp. 12476-12480
Ligand Properties
Formula
C
2
0
H
2
3
ClN
2
O
3
Molecular Weight
374.861
Exact Mass
374.140
No. of atoms
49
No. of bonds
51
Polar Surface Area
82.19
LOGP Value
3.13 (
Computed with XLOGP3
)
3.91 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
CCc1c([nH]c(c1C(=O)C)C)C(=O)N[C@@H]1[C@@H](O)CCc2c1cc(Cl)cc2
InChI String
InChI=1S/C20H23ClN2O3/c1-4-14-17(11(3)24)10(2)22-19(14)20(26)23-18-15-9-13(21)7-5-12(15)6-8-16(18)25/h5,7,9,16,18,22,25H,4,6,8H2,1-3H3,(H,23,26)/t16-,18-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q09472
Entrez Gene ID
NCBI Entrez Gene ID:
2033
ASD
Information of known allosteric effects of PDB entries
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