Browse entries in the PDBbind-CN Database
HEADER 5NU5_COMPLEX COMPND 5NU5_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 302 49 ATOM 1 N SER A1046 43.716 41.148 25.838 1.00 39.05 N ATOM 2 CA SER A1046 44.663 40.039 25.515 1.00 36.67 C ATOM 3 C SER A1046 45.617 40.436 24.390 1.00 34.76 C ATOM 4 O SER A1046 45.298 41.290 23.566 1.00 35.08 O ATOM 5 CB SER A1046 43.900 38.772 25.108 1.00 35.92 C ATOM 6 OG SER A1046 43.089 38.291 26.165 1.00 37.82 O ATOM 7 HG SER A1046 43.659 38.077 26.945 1.00 0.00 H ATOM 8 HN3 SER A1046 43.155 41.380 24.994 1.00 0.00 H ATOM 9 HN2 SER A1046 44.254 41.985 26.139 1.00 0.00 H ATOM 10 HN1 SER A1046 43.081 40.848 26.605 1.00 0.00 H ATOM 11 N MET A1047 46.776 39.794 24.361 1.00 33.09 N ATOM 12 CA MET A1047 47.773 40.037 23.326 1.00 31.18 C ATOM 13 C MET A1047 47.265 39.470 21.989 1.00 29.52 C ATOM 14 O MET A1047 46.681 38.387 21.936 1.00 28.84 O ATOM 15 CB MET A1047 49.098 39.393 23.738 1.00 30.36 C ATOM 16 CG MET A1047 50.304 39.774 22.899 1.00 29.42 C ATOM 17 SD MET A1047 51.778 38.870 23.415 1.00 28.55 S ATOM 18 CE MET A1047 51.286 37.167 23.185 1.00 27.26 C ATOM 19 H MET A1047 46.981 39.093 25.102 1.00 0.00 H ATOM 20 N ILE A1048 47.465 40.232 20.920 1.00 29.25 N ATOM 21 CA ILE A1048 47.007 39.847 19.588 1.00 28.40 C ATOM 22 C ILE A1048 47.980 38.823 18.994 1.00 26.46 C ATOM 23 O ILE A1048 49.181 38.857 19.264 1.00 26.26 O ATOM 24 CB ILE A1048 46.882 41.097 18.673 1.00 29.74 C ATOM 25 CG1 ILE A1048 45.931 42.134 19.290 1.00 31.81 C ATOM 26 CG2 ILE A1048 46.397 40.731 17.274 1.00 29.74 C ATOM 27 CD1 ILE A1048 44.537 41.617 19.586 1.00 32.56 C ATOM 28 H ILE A1048 47.966 41.136 21.036 1.00 0.00 H ATOM 29 N PHE A1049 47.446 37.876 18.224 1.00 25.09 N ATOM 30 CA PHE A1049 48.261 36.984 17.400 1.00 23.67 C ATOM 31 C PHE A1049 47.765 37.103 15.965 1.00 23.86 C ATOM 32 O PHE A1049 46.562 36.962 15.716 1.00 24.63 O ATOM 33 CB PHE A1049 48.127 35.527 17.846 1.00 22.56 C ATOM 34 CG PHE A1049 48.620 35.247 19.235 1.00 22.61 C ATOM 35 CD1 PHE A1049 49.953 34.910 19.462 1.00 22.26 C ATOM 36 CD2 PHE A1049 47.748 35.271 20.316 1.00 23.55 C ATOM 37 CE1 PHE A1049 50.405 34.631 20.744 1.00 22.81 C ATOM 38 CE2 PHE A1049 48.195 34.991 21.599 1.00 24.11 C ATOM 39 CZ PHE A1049 49.528 34.664 21.813 1.00 23.69 C ATOM 40 H PHE A1049 46.412 37.767 18.208 1.00 0.00 H ATOM 41 N LYS A1050 48.672 37.363 15.023 1.00 23.59 N ATOM 42 CA LYS A1050 48.311 37.413 13.612 1.00 24.00 C ATOM 43 C LYS A1050 48.249 35.999 13.034 1.00 22.48 C ATOM 44 O LYS A1050 48.976 35.110 13.494 1.00 21.11 O ATOM 45 CB LYS A1050 49.308 38.245 12.814 1.00 25.24 C ATOM 46 CG LYS A1050 49.400 39.698 13.261 1.00 26.79 C ATOM 47 CD LYS A1050 48.163 40.478 12.867 1.00 28.31 C ATOM 48 CE LYS A1050 48.131 41.837 13.543 1.00 29.54 C ATOM 49 NZ LYS A1050 49.453 42.522 13.491 1.00 30.13 N ATOM 50 HZ1 LYS A1050 50.164 41.937 13.974 1.00 0.00 H ATOM 51 HZ2 LYS A1050 49.732 42.660 12.499 1.00 0.00 H ATOM 52 HZ3 LYS A1050 49.383 43.445 13.965 1.00 0.00 H ATOM 53 H LYS A1050 49.659 37.534 15.301 1.00 0.00 H ATOM 54 N PRO A1051 47.384 35.781 12.025 1.00 22.99 N ATOM 55 CA PRO A1051 47.276 34.441 11.435 1.00 22.18 C ATOM 56 C PRO A1051 48.593 33.871 10.903 1.00 21.68 C ATOM 57 O PRO A1051 48.873 32.695 11.100 1.00 20.47 O ATOM 58 CB PRO A1051 46.295 34.641 10.285 1.00 23.82 C ATOM 59 CG PRO A1051 45.453 35.786 10.699 1.00 25.10 C ATOM 60 CD PRO A1051 46.350 36.690 11.495 1.00 24.63 C ATOM 61 N GLU A1052 49.401 34.716 10.277 1.00 22.94 N ATOM 62 CA GLU A1052 50.678 34.282 9.720 1.00 23.14 C ATOM 63 C GLU A1052 51.618 33.835 10.846 1.00 21.60 C ATOM 64 O GLU A1052 52.349 32.860 10.713 1.00 20.60 O ATOM 65 CB GLU A1052 51.323 35.406 8.904 1.00 25.38 C ATOM 66 CG GLU A1052 50.440 35.963 7.794 1.00 27.56 C ATOM 67 CD GLU A1052 49.353 36.915 8.275 1.00 28.26 C ATOM 68 OE1 GLU A1052 49.374 37.345 9.457 1.00 27.83 O ATOM 69 OE2 GLU A1052 48.459 37.221 7.463 1.00 30.32 O ATOM 70 H GLU A1052 49.118 35.712 10.181 1.00 0.00 H ATOM 71 N GLU A1053 51.600 34.567 11.953 1.00 21.35 N ATOM 72 CA GLU A1053 52.391 34.217 13.121 1.00 20.75 C ATOM 73 C GLU A1053 51.963 32.865 13.694 1.00 19.01 C ATOM 74 O GLU A1053 52.805 32.039 14.041 1.00 18.37 O ATOM 75 CB GLU A1053 52.251 35.341 14.153 1.00 21.80 C ATOM 76 CG GLU A1053 52.821 35.086 15.531 1.00 22.08 C ATOM 77 CD GLU A1053 52.431 36.180 16.516 1.00 23.41 C ATOM 78 OE1 GLU A1053 51.648 37.100 16.165 1.00 24.88 O ATOM 79 OE2 GLU A1053 52.910 36.121 17.660 1.00 24.59 O ATOM 80 H GLU A1053 51.002 35.417 11.986 1.00 0.00 H ATOM 81 N LEU A1054 50.659 32.622 13.778 1.00 18.22 N ATOM 82 CA LEU A1054 50.179 31.357 14.333 1.00 17.18 C ATOM 83 C LEU A1054 50.480 30.191 13.407 1.00 16.77 C ATOM 84 O LEU A1054 50.836 29.107 13.871 1.00 15.88 O ATOM 85 CB LEU A1054 48.686 31.419 14.646 1.00 17.42 C ATOM 86 CG LEU A1054 48.337 32.326 15.824 1.00 18.05 C ATOM 87 CD1 LEU A1054 46.830 32.420 15.992 1.00 18.91 C ATOM 88 CD2 LEU A1054 48.988 31.827 17.109 1.00 17.75 C ATOM 89 H LEU A1054 49.977 33.334 13.448 1.00 0.00 H ATOM 90 N ARG A1055 50.331 30.397 12.104 1.00 17.58 N ATOM 91 CA ARG A1055 50.612 29.326 11.147 1.00 17.64 C ATOM 92 C ARG A1055 52.096 28.955 11.205 1.00 17.54 C ATOM 93 O ARG A1055 52.452 27.781 11.279 1.00 16.86 O ATOM 94 CB ARG A1055 50.214 29.746 9.731 1.00 19.20 C ATOM 95 CG ARG A1055 50.241 28.612 8.713 1.00 19.69 C ATOM 96 CD ARG A1055 50.340 29.117 7.282 1.00 21.80 C ATOM 97 NE ARG A1055 51.705 29.544 6.947 1.00 22.75 N ATOM 98 CZ ARG A1055 52.080 30.763 6.546 1.00 24.35 C ATOM 99 NH1 ARG A1055 51.204 31.757 6.389 1.00 25.21 N ATOM 100 NH2 ARG A1055 53.364 30.990 6.281 1.00 25.43 N ATOM 101 HE ARG A1055 52.454 28.827 7.030 1.00 0.00 H ATOM 102 HH12 ARG A1055 51.531 32.693 6.075 1.00 0.00 H ATOM 103 HH11 ARG A1055 50.195 31.596 6.580 1.00 0.00 H ATOM 104 HH22 ARG A1055 53.672 31.933 5.968 1.00 0.00 H ATOM 105 HH21 ARG A1055 54.060 30.225 6.387 1.00 0.00 H ATOM 106 H ARG A1055 50.012 31.326 11.761 1.00 0.00 H ATOM 107 N GLN A1056 52.955 29.969 11.167 1.00 18.43 N ATOM 108 CA GLN A1056 54.397 29.744 11.206 1.00 18.94 C ATOM 109 C GLN A1056 54.796 28.989 12.477 1.00 17.90 C ATOM 110 O GLN A1056 55.603 28.070 12.424 1.00 18.06 O ATOM 111 CB GLN A1056 55.152 31.077 11.088 1.00 20.46 C ATOM 112 CG GLN A1056 55.047 31.748 9.716 1.00 22.08 C ATOM 113 CD GLN A1056 55.196 33.271 9.757 1.00 23.43 C ATOM 114 OE1 GLN A1056 55.667 33.843 10.744 1.00 23.61 O ATOM 115 NE2 GLN A1056 54.783 33.938 8.680 1.00 24.86 N ATOM 116 HE22 GLN A1056 54.391 33.421 7.867 1.00 0.00 H ATOM 117 HE21 GLN A1056 54.852 34.975 8.653 1.00 0.00 H ATOM 118 H GLN A1056 52.592 30.942 11.108 1.00 0.00 H ATOM 119 N ALA A1057 54.206 29.343 13.615 1.00 17.13 N ATOM 120 CA ALA A1057 54.560 28.695 14.876 1.00 16.58 C ATOM 121 C ALA A1057 53.952 27.307 15.053 1.00 15.51 C ATOM 122 O ALA A1057 54.631 26.393 15.522 1.00 15.56 O ATOM 123 CB ALA A1057 54.187 29.590 16.047 1.00 16.94 C ATOM 124 H ALA A1057 53.483 30.091 13.607 1.00 0.00 H ATOM 125 N LEU A1058 52.683 27.143 14.694 1.00 14.75 N ATOM 126 CA LEU A1058 51.940 25.931 15.036 1.00 14.09 C ATOM 127 C LEU A1058 51.991 24.845 13.967 1.00 14.13 C ATOM 128 O LEU A1058 51.865 23.665 14.293 1.00 13.91 O ATOM 129 CB LEU A1058 50.481 26.271 15.330 1.00 13.86 C ATOM 130 CG LEU A1058 50.270 27.223 16.513 1.00 14.20 C ATOM 131 CD1 LEU A1058 48.822 27.692 16.573 1.00 14.52 C ATOM 132 CD2 LEU A1058 50.655 26.558 17.823 1.00 14.34 C ATOM 133 H LEU A1058 52.207 27.895 14.157 1.00 0.00 H ATOM 134 N MET A1059 52.133 25.225 12.701 1.00 14.98 N ATOM 135 CA MET A1059 52.127 24.221 11.633 1.00 15.51 C ATOM 136 C MET A1059 53.162 23.098 11.828 1.00 15.15 C ATOM 137 O MET A1059 52.857 21.954 11.520 1.00 14.54 O ATOM 138 CB MET A1059 52.257 24.866 10.247 1.00 17.43 C ATOM 139 CG MET A1059 51.973 23.925 9.088 1.00 18.75 C ATOM 140 SD MET A1059 50.320 23.202 9.049 1.00 19.66 S ATOM 141 CE MET A1059 49.373 24.604 8.494 1.00 20.86 C ATOM 142 H MET A1059 52.248 26.232 12.469 1.00 0.00 H ATOM 143 N PRO A1060 54.367 23.400 12.354 1.00 15.27 N ATOM 144 CA PRO A1060 55.300 22.291 12.615 1.00 15.47 C ATOM 145 C PRO A1060 54.784 21.236 13.597 1.00 14.63 C ATOM 146 O PRO A1060 55.148 20.060 13.477 1.00 14.59 O ATOM 147 CB PRO A1060 56.536 23.004 13.148 1.00 16.65 C ATOM 148 CG PRO A1060 56.501 24.286 12.391 1.00 17.15 C ATOM 149 CD PRO A1060 55.064 24.694 12.448 1.00 16.25 C ATOM 150 N THR A1061 53.932 21.637 14.536 1.00 13.89 N ATOM 151 CA THR A1061 53.338 20.666 15.452 1.00 13.64 C ATOM 152 C THR A1061 52.287 19.811 14.742 1.00 13.39 C ATOM 153 O THR A1061 52.102 18.643 15.087 1.00 13.75 O ATOM 154 CB THR A1061 52.748 21.337 16.706 1.00 13.70 C ATOM 155 OG1 THR A1061 51.582 22.085 16.356 1.00 13.27 O ATOM 156 CG2 THR A1061 53.775 22.256 17.368 1.00 14.46 C ATOM 157 HG1 THR A1061 51.824 22.782 15.696 1.00 0.00 H ATOM 158 H THR A1061 53.688 22.645 14.619 1.00 0.00 H ATOM 159 N LEU A1062 51.604 20.380 13.746 1.00 13.19 N ATOM 160 CA LEU A1062 50.654 19.607 12.939 1.00 13.19 C ATOM 161 C LEU A1062 51.414 18.666 12.007 1.00 13.38 C ATOM 162 O LEU A1062 51.033 17.502 11.824 1.00 13.34 O ATOM 163 CB LEU A1062 49.733 20.541 12.149 1.00 13.64 C ATOM 164 CG LEU A1062 48.471 19.925 11.558 1.00 14.20 C ATOM 165 CD1 LEU A1062 47.535 19.441 12.652 1.00 14.25 C ATOM 166 CD2 LEU A1062 47.754 20.941 10.682 1.00 15.02 C ATOM 167 H LEU A1062 51.748 21.389 13.539 1.00 0.00 H ATOM 168 N GLU A1063 52.496 19.180 11.433 1.00 13.61 N ATOM 169 CA GLU A1063 53.416 18.372 10.638 1.00 14.29 C ATOM 170 C GLU A1063 53.917 17.146 11.401 1.00 13.92 C ATOM 171 O GLU A1063 54.002 16.052 10.835 1.00 14.11 O ATOM 172 CB GLU A1063 54.597 19.231 10.171 1.00 15.45 C ATOM 173 CG GLU A1063 55.869 18.462 9.862 1.00 16.80 C ATOM 174 CD GLU A1063 57.061 19.372 9.669 1.00 18.20 C ATOM 175 OE1 GLU A1063 57.232 20.347 10.443 1.00 18.67 O ATOM 176 OE2 GLU A1063 57.845 19.100 8.750 1.00 19.66 O ATOM 177 H GLU A1063 52.695 20.194 11.554 1.00 0.00 H ATOM 178 N ALA A1064 54.236 17.324 12.677 1.00 13.58 N ATOM 179 CA ALA A1064 54.700 16.213 13.494 1.00 13.70 C ATOM 180 C ALA A1064 53.677 15.087 13.533 1.00 13.37 C ATOM 181 O ALA A1064 54.045 13.916 13.568 1.00 13.83 O ATOM 182 CB ALA A1064 55.018 16.681 14.900 1.00 13.97 C ATOM 183 H ALA A1064 54.153 18.271 13.099 1.00 0.00 H ATOM 184 N LEU A1065 52.397 15.448 13.512 1.00 12.78 N ATOM 185 CA LEU A1065 51.337 14.447 13.492 1.00 13.00 C ATOM 186 C LEU A1065 51.229 13.806 12.119 1.00 13.46 C ATOM 187 O LEU A1065 51.161 12.585 12.028 1.00 13.88 O ATOM 188 CB LEU A1065 50.006 15.053 13.945 1.00 13.01 C ATOM 189 CG LEU A1065 50.040 15.693 15.333 1.00 13.11 C ATOM 190 CD1 LEU A1065 48.648 16.138 15.754 1.00 13.52 C ATOM 191 CD2 LEU A1065 50.625 14.750 16.370 1.00 13.84 C ATOM 192 H LEU A1065 52.149 16.458 13.510 1.00 0.00 H ATOM 193 N TYR A1066 51.250 14.605 11.052 1.00 13.62 N ATOM 194 CA TYR A1066 51.201 14.037 9.695 1.00 14.68 C ATOM 195 C TYR A1066 52.366 13.081 9.437 1.00 15.35 C ATOM 196 O TYR A1066 52.215 12.093 8.711 1.00 16.25 O ATOM 197 CB TYR A1066 51.204 15.135 8.631 1.00 15.25 C ATOM 198 CG TYR A1066 49.859 15.755 8.342 1.00 15.58 C ATOM 199 CD1 TYR A1066 48.913 15.080 7.574 1.00 16.68 C ATOM 200 CD2 TYR A1066 49.545 17.042 8.791 1.00 15.36 C ATOM 201 CE1 TYR A1066 47.684 15.657 7.283 1.00 17.42 C ATOM 202 CE2 TYR A1066 48.315 17.623 8.503 1.00 16.04 C ATOM 203 CZ TYR A1066 47.395 16.929 7.750 1.00 17.06 C ATOM 204 OH TYR A1066 46.182 17.494 7.445 1.00 18.11 O ATOM 205 HH TYR A1066 45.651 16.859 6.902 1.00 0.00 H ATOM 206 H TYR A1066 51.301 15.636 11.179 1.00 0.00 H ATOM 207 N ARG A1067 53.515 13.381 10.039 1.00 15.61 N ATOM 208 CA ARG A1067 54.703 12.520 9.955 1.00 16.83 C ATOM 209 C ARG A1067 54.551 11.145 10.557 1.00 17.04 C ATOM 210 O ARG A1067 55.313 10.242 10.196 1.00 18.21 O ATOM 211 CB ARG A1067 55.904 13.174 10.635 1.00 17.46 C ATOM 212 CG ARG A1067 56.670 14.061 9.709 1.00 18.69 C ATOM 213 CD ARG A1067 57.847 14.659 10.429 1.00 19.55 C ATOM 214 NE ARG A1067 58.794 15.162 9.460 1.00 21.09 N ATOM 215 CZ ARG A1067 59.586 16.218 9.626 1.00 21.95 C ATOM 216 NH1 ARG A1067 59.559 16.958 10.739 1.00 21.60 N ATOM 217 NH2 ARG A1067 60.402 16.553 8.644 1.00 23.60 N ATOM 218 HE ARG A1067 58.862 14.655 8.555 1.00 0.00 H ATOM 219 HH12 ARG A1067 60.193 17.777 10.834 1.00 0.00 H ATOM 220 HH11 ARG A1067 58.904 16.715 11.509 1.00 0.00 H ATOM 221 HH22 ARG A1067 61.031 17.374 8.748 1.00 0.00 H ATOM 222 HH21 ARG A1067 60.415 15.996 7.766 1.00 0.00 H ATOM 223 H ARG A1067 53.574 14.260 10.591 1.00 0.00 H ATOM 224 N GLN A1068 53.610 10.979 11.476 1.00 19.63 N ATOM 225 CA GLN A1068 53.340 9.671 12.060 1.00 18.93 C ATOM 226 C GLN A1068 52.543 8.875 11.036 1.00 17.93 C ATOM 227 O GLN A1068 51.371 9.107 10.820 1.00 16.70 O ATOM 228 CB GLN A1068 52.600 9.802 13.392 1.00 18.59 C ATOM 229 CG GLN A1068 53.265 10.743 14.391 1.00 20.55 C ATOM 230 CD GLN A1068 54.755 10.539 14.515 1.00 22.95 C ATOM 231 OE1 GLN A1068 55.203 9.479 14.961 1.00 23.81 O ATOM 232 NE2 GLN A1068 55.542 11.555 14.134 1.00 24.81 N ATOM 233 HE22 GLN A1068 55.119 12.430 13.764 1.00 0.00 H ATOM 234 HE21 GLN A1068 56.576 11.468 14.209 1.00 0.00 H ATOM 235 H GLN A1068 53.052 11.800 11.787 1.00 0.00 H ATOM 236 N ASP A1069 53.235 7.980 10.356 1.00 19.23 N ATOM 237 CA ASP A1069 52.663 7.174 9.291 1.00 19.47 C ATOM 238 C ASP A1069 52.996 5.735 9.693 1.00 20.08 C ATOM 239 O ASP A1069 54.176 5.389 9.766 1.00 21.75 O ATOM 240 CB ASP A1069 53.330 7.574 7.974 1.00 21.61 C ATOM 241 CG ASP A1069 52.719 6.897 6.767 1.00 22.99 C ATOM 242 OD1 ASP A1069 52.154 5.795 6.907 1.00 23.35 O ATOM 243 OD2 ASP A1069 52.817 7.470 5.655 1.00 24.87 O ATOM 244 H ASP A1069 54.238 7.845 10.594 1.00 0.00 H ATOM 245 N PRO A1070 52.002 4.879 9.966 1.00 19.07 N ATOM 246 CA PRO A1070 50.575 5.001 9.618 1.00 17.78 C ATOM 247 C PRO A1070 49.624 5.673 10.615 1.00 15.75 C ATOM 248 O PRO A1070 48.438 5.795 10.304 1.00 15.03 O ATOM 249 CB PRO A1070 50.163 3.529 9.517 1.00 19.37 C ATOM 250 CG PRO A1070 50.958 2.894 10.606 1.00 20.21 C ATOM 251 CD PRO A1070 52.309 3.545 10.504 1.00 20.42 C ATOM 252 N GLU A1071 50.117 6.102 11.774 1.00 15.23 N ATOM 253 CA GLU A1071 49.242 6.467 12.889 1.00 14.51 C ATOM 254 C GLU A1071 48.300 7.640 12.579 1.00 13.17 C ATOM 255 O GLU A1071 47.168 7.662 13.050 1.00 12.57 O ATOM 256 CB GLU A1071 50.050 6.744 14.168 1.00 15.33 C ATOM 257 CG GLU A1071 50.699 5.505 14.778 1.00 17.19 C ATOM 258 CD GLU A1071 52.053 5.141 14.185 1.00 18.38 C ATOM 259 OE1 GLU A1071 52.528 5.801 13.232 1.00 18.02 O ATOM 260 OE2 GLU A1071 52.658 4.162 14.670 1.00 20.20 O ATOM 261 H GLU A1071 51.148 6.180 11.890 1.00 0.00 H ATOM 262 N SER A1072 48.744 8.589 11.753 1.00 12.76 N ATOM 263 CA SER A1072 47.887 9.719 11.382 1.00 12.14 C ATOM 264 C SER A1072 46.865 9.398 10.301 1.00 11.89 C ATOM 265 O SER A1072 45.956 10.190 10.086 1.00 11.45 O ATOM 266 CB SER A1072 48.727 10.908 10.924 1.00 12.71 C ATOM 267 OG SER A1072 49.294 10.694 9.637 1.00 13.50 O ATOM 268 HG SER A1072 49.877 9.894 9.663 1.00 0.00 H ATOM 269 H SER A1072 49.708 8.526 11.368 1.00 0.00 H ATOM 270 N LEU A1073 46.997 8.267 9.611 1.00 12.61 N ATOM 271 CA LEU A1073 46.160 8.021 8.436 1.00 13.44 C ATOM 272 C LEU A1073 44.655 8.059 8.721 1.00 12.89 C ATOM 273 O LEU A1073 43.919 8.673 7.961 1.00 13.38 O ATOM 274 CB LEU A1073 46.551 6.719 7.737 1.00 15.26 C ATOM 275 CG LEU A1073 47.979 6.633 7.191 1.00 16.52 C ATOM 276 CD1 LEU A1073 48.202 5.267 6.575 1.00 18.77 C ATOM 277 CD2 LEU A1073 48.245 7.733 6.185 1.00 17.19 C ATOM 278 H LEU A1073 47.696 7.557 9.908 1.00 0.00 H ATOM 279 N PRO A1074 44.193 7.451 9.836 1.00 12.61 N ATOM 280 CA PRO A1074 42.759 7.541 10.118 1.00 12.67 C ATOM 281 C PRO A1074 42.278 8.939 10.513 1.00 11.74 C ATOM 282 O PRO A1074 41.074 9.129 10.625 1.00 12.10 O ATOM 283 CB PRO A1074 42.568 6.567 11.288 1.00 13.30 C ATOM 284 CG PRO A1074 43.734 5.639 11.227 1.00 14.08 C ATOM 285 CD PRO A1074 44.855 6.521 10.768 1.00 13.04 C ATOM 286 N PHE A1075 43.197 9.893 10.698 1.00 11.20 N ATOM 287 CA PHE A1075 42.886 11.247 11.175 1.00 11.03 C ATOM 288 C PHE A1075 43.063 12.332 10.112 1.00 11.51 C ATOM 289 O PHE A1075 42.825 13.501 10.385 1.00 11.80 O ATOM 290 CB PHE A1075 43.765 11.555 12.390 1.00 11.14 C ATOM 291 CG PHE A1075 43.549 10.594 13.524 1.00 11.50 C ATOM 292 CD1 PHE A1075 42.536 10.808 14.455 1.00 12.25 C ATOM 293 CD2 PHE A1075 44.326 9.443 13.635 1.00 11.89 C ATOM 294 CE1 PHE A1075 42.324 9.906 15.483 1.00 13.33 C ATOM 295 CE2 PHE A1075 44.113 8.542 14.662 1.00 12.87 C ATOM 296 CZ PHE A1075 43.115 8.776 15.587 1.00 13.66 C ATOM 297 H PHE A1075 44.190 9.663 10.492 1.00 0.00 H ATOM 298 N ARG A1076 43.430 11.944 8.895 1.00 12.09 N ATOM 299 CA ARG A1076 43.740 12.914 7.839 1.00 13.20 C ATOM 300 C ARG A1076 42.522 13.462 7.099 1.00 13.94 C ATOM 301 O ARG A1076 42.659 14.377 6.292 1.00 15.58 O ATOM 302 CB ARG A1076 44.719 12.295 6.842 1.00 14.36 C ATOM 303 CG ARG A1076 46.107 12.105 7.422 1.00 14.41 C ATOM 304 CD ARG A1076 47.025 11.479 6.404 1.00 16.08 C ATOM 305 NE ARG A1076 48.392 11.306 6.898 1.00 16.54 N ATOM 306 CZ ARG A1076 49.434 10.975 6.136 1.00 18.25 C ATOM 307 NH1 ARG A1076 49.286 10.767 4.822 1.00 20.10 N ATOM 308 NH2 ARG A1076 50.640 10.835 6.681 1.00 18.80 N ATOM 309 HE ARG A1076 48.562 11.451 7.914 1.00 0.00 H ATOM 310 HH12 ARG A1076 50.109 10.509 4.240 1.00 0.00 H ATOM 311 HH11 ARG A1076 48.348 10.863 4.383 1.00 0.00 H ATOM 312 HH22 ARG A1076 51.453 10.577 6.086 1.00 0.00 H ATOM 313 HH21 ARG A1076 50.770 10.984 7.702 1.00 0.00 H ATOM 314 H ARG A1076 43.499 10.928 8.686 1.00 0.00 H ATOM 315 N GLN A1077 41.347 12.899 7.369 1.00 13.69 N ATOM 316 CA GLN A1077 40.101 13.318 6.759 1.00 14.73 C ATOM 317 C GLN A1077 38.980 13.106 7.759 1.00 14.33 C ATOM 318 O GLN A1077 39.125 12.301 8.681 1.00 13.75 O ATOM 319 CB GLN A1077 39.821 12.519 5.483 1.00 16.27 C ATOM 320 CG GLN A1077 39.694 11.012 5.678 1.00 16.38 C ATOM 321 CD GLN A1077 41.021 10.323 5.972 1.00 15.71 C ATOM 322 OE1 GLN A1077 41.985 10.490 5.230 1.00 16.90 O ATOM 323 NE2 GLN A1077 41.084 9.567 7.067 1.00 14.79 N ATOM 324 HE22 GLN A1077 40.243 9.452 7.668 1.00 0.00 H ATOM 325 HE21 GLN A1077 41.974 9.092 7.320 1.00 0.00 H ATOM 326 H GLN A1077 41.321 12.117 8.054 1.00 0.00 H ATOM 327 N PRO A1078 37.857 13.819 7.596 1.00 15.69 N ATOM 328 CA PRO A1078 36.738 13.598 8.496 1.00 14.82 C ATOM 329 C PRO A1078 36.247 12.150 8.473 1.00 14.67 C ATOM 330 O PRO A1078 36.236 11.504 7.414 1.00 15.41 O ATOM 331 CB PRO A1078 35.652 14.532 7.945 1.00 15.58 C ATOM 332 CG PRO A1078 36.398 15.593 7.247 1.00 16.65 C ATOM 333 CD PRO A1078 37.559 14.880 6.618 1.00 17.01 C ATOM 334 N VAL A1079 35.854 11.650 9.633 1.00 14.07 N ATOM 335 CA VAL A1079 35.210 10.346 9.713 1.00 14.33 C ATOM 336 C VAL A1079 33.950 10.357 8.831 1.00 14.99 C ATOM 337 O VAL A1079 33.120 11.259 8.944 1.00 15.16 O ATOM 338 CB VAL A1079 34.842 9.987 11.170 1.00 14.00 C ATOM 339 CG1 VAL A1079 33.994 8.719 11.224 1.00 14.65 C ATOM 340 CG2 VAL A1079 36.105 9.815 12.001 1.00 14.00 C ATOM 341 H VAL A1079 36.008 12.198 10.504 1.00 0.00 H ATOM 342 N ASP A1080 33.845 9.377 7.929 1.00 15.76 N ATOM 343 CA ASP A1080 32.646 9.156 7.112 1.00 16.84 C ATOM 344 C ASP A1080 31.951 7.893 7.644 1.00 17.07 C ATOM 345 O ASP A1080 32.371 6.783 7.335 1.00 17.37 O ATOM 346 CB ASP A1080 33.034 9.000 5.635 1.00 18.12 C ATOM 347 CG ASP A1080 31.850 8.659 4.730 1.00 19.57 C ATOM 348 OD1 ASP A1080 30.785 8.194 5.199 1.00 19.35 O ATOM 349 OD2 ASP A1080 31.989 8.814 3.503 1.00 21.20 O ATOM 350 H ASP A1080 34.655 8.738 7.799 1.00 0.00 H ATOM 351 N PRO A1081 30.896 8.059 8.466 1.00 16.96 N ATOM 352 CA PRO A1081 30.280 6.890 9.104 1.00 17.66 C ATOM 353 C PRO A1081 29.641 5.889 8.143 1.00 19.19 C ATOM 354 O PRO A1081 29.577 4.707 8.463 1.00 19.95 O ATOM 355 CB PRO A1081 29.221 7.513 10.030 1.00 17.77 C ATOM 356 CG PRO A1081 29.707 8.884 10.280 1.00 16.92 C ATOM 357 CD PRO A1081 30.327 9.313 8.988 1.00 16.84 C ATOM 358 N GLN A1082 29.180 6.359 6.987 1.00 20.06 N ATOM 359 CA GLN A1082 28.581 5.491 5.972 1.00 21.98 C ATOM 360 C GLN A1082 29.645 4.572 5.361 1.00 22.45 C ATOM 361 O GLN A1082 29.488 3.348 5.348 1.00 23.48 O ATOM 362 CB GLN A1082 27.896 6.346 4.897 1.00 23.39 C ATOM 363 CG GLN A1082 27.200 5.581 3.784 1.00 25.69 C ATOM 364 CD GLN A1082 26.367 6.489 2.890 1.00 27.49 C ATOM 365 OE1 GLN A1082 25.157 6.327 2.793 1.00 29.45 O ATOM 366 NE2 GLN A1082 27.016 7.444 2.228 1.00 27.81 N ATOM 367 HE22 GLN A1082 28.045 7.547 2.339 1.00 0.00 H ATOM 368 HE21 GLN A1082 26.494 8.088 1.599 1.00 0.00 H ATOM 369 H GLN A1082 29.248 7.379 6.798 1.00 0.00 H ATOM 370 N LEU A1083 30.730 5.171 4.882 1.00 22.20 N ATOM 371 CA LEU A1083 31.869 4.417 4.350 1.00 23.14 C ATOM 372 C LEU A1083 32.439 3.426 5.371 1.00 23.05 C ATOM 373 O LEU A1083 32.732 2.277 5.026 1.00 24.58 O ATOM 374 CB LEU A1083 32.973 5.371 3.870 1.00 23.06 C ATOM 375 CG LEU A1083 34.320 4.759 3.470 1.00 24.31 C ATOM 376 CD1 LEU A1083 34.151 3.877 2.240 1.00 26.61 C ATOM 377 CD2 LEU A1083 35.357 5.846 3.234 1.00 24.24 C ATOM 378 H LEU A1083 30.773 6.210 4.885 1.00 0.00 H ATOM 379 N LEU A1084 32.565 3.863 6.620 1.00 21.69 N ATOM 380 CA LEU A1084 33.204 3.056 7.660 1.00 21.91 C ATOM 381 C LEU A1084 32.243 2.108 8.385 1.00 22.82 C ATOM 382 O LEU A1084 32.670 1.351 9.261 1.00 23.49 O ATOM 383 CB LEU A1084 33.921 3.967 8.662 1.00 20.53 C ATOM 384 CG LEU A1084 35.034 4.843 8.072 1.00 20.02 C ATOM 385 CD1 LEU A1084 35.439 5.954 9.033 1.00 18.61 C ATOM 386 CD2 LEU A1084 36.233 3.985 7.674 1.00 21.54 C ATOM 387 H LEU A1084 32.199 4.805 6.865 1.00 0.00 H ATOM 388 N GLY A1085 30.957 2.146 8.037 1.00 23.12 N ATOM 389 CA GLY A1085 29.983 1.212 8.581 1.00 24.28 C ATOM 390 C GLY A1085 29.740 1.371 10.070 1.00 23.81 C ATOM 391 O GLY A1085 29.560 0.381 10.784 1.00 25.37 O ATOM 392 H GLY A1085 30.640 2.865 7.356 1.00 0.00 H ATOM 393 N ILE A1086 29.698 2.618 10.524 1.00 22.20 N ATOM 394 CA ILE A1086 29.523 2.934 11.937 1.00 21.91 C ATOM 395 C ILE A1086 28.408 3.970 12.085 1.00 21.60 C ATOM 396 O ILE A1086 28.659 5.125 12.404 1.00 20.32 O ATOM 397 CB ILE A1086 30.851 3.383 12.582 1.00 20.81 C ATOM 398 CG1 ILE A1086 31.608 4.368 11.686 1.00 19.44 C ATOM 399 CG2 ILE A1086 31.737 2.172 12.846 1.00 21.98 C ATOM 400 CD1 ILE A1086 32.793 5.028 12.361 1.00 18.62 C ATOM 401 H ILE A1086 29.794 3.400 9.845 1.00 0.00 H ATOM 402 N PRO A1087 27.151 3.549 11.855 1.00 23.30 N ATOM 403 CA PRO A1087 26.050 4.524 11.831 1.00 23.76 C ATOM 404 C PRO A1087 25.793 5.268 13.144 1.00 23.74 C ATOM 405 O PRO A1087 25.110 6.288 13.132 1.00 24.33 O ATOM 406 CB PRO A1087 24.832 3.670 11.446 1.00 25.89 C ATOM 407 CG PRO A1087 25.206 2.279 11.809 1.00 26.76 C ATOM 408 CD PRO A1087 26.673 2.193 11.533 1.00 25.12 C ATOM 409 N ASP A1088 26.318 4.776 14.264 1.00 23.65 N ATOM 410 CA ASP A1088 26.138 5.471 15.528 1.00 23.93 C ATOM 411 C ASP A1088 27.198 6.542 15.802 1.00 21.81 C ATOM 412 O ASP A1088 27.167 7.151 16.865 1.00 22.02 O ATOM 413 CB ASP A1088 26.114 4.471 16.684 1.00 25.73 C ATOM 414 CG ASP A1088 27.452 3.782 16.898 1.00 25.40 C ATOM 415 OD1 ASP A1088 28.249 3.695 15.941 1.00 24.38 O ATOM 416 OD2 ASP A1088 27.685 3.302 18.025 1.00 27.09 O ATOM 417 H ASP A1088 26.860 3.889 14.235 1.00 0.00 H ATOM 418 N TYR A1089 28.121 6.777 14.866 1.00 19.92 N ATOM 419 CA TYR A1089 29.237 7.683 15.128 1.00 18.50 C ATOM 420 C TYR A1089 28.778 9.066 15.587 1.00 18.56 C ATOM 421 O TYR A1089 29.226 9.556 16.630 1.00 18.40 O ATOM 422 CB TYR A1089 30.166 7.813 13.913 1.00 17.15 C ATOM 423 CG TYR A1089 31.390 8.650 14.230 1.00 16.00 C ATOM 424 CD1 TYR A1089 32.411 8.144 15.032 1.00 15.98 C ATOM 425 CD2 TYR A1089 31.501 9.956 13.778 1.00 15.45 C ATOM 426 CE1 TYR A1089 33.529 8.915 15.354 1.00 15.25 C ATOM 427 CE2 TYR A1089 32.604 10.734 14.096 1.00 14.67 C ATOM 428 CZ TYR A1089 33.621 10.210 14.875 1.00 14.53 C ATOM 429 OH TYR A1089 34.713 10.988 15.182 1.00 14.35 O ATOM 430 HH TYR A1089 35.342 10.466 15.742 1.00 0.00 H ATOM 431 H TYR A1089 28.045 6.310 13.940 1.00 0.00 H ATOM 432 N PHE A1090 27.878 9.683 14.830 1.00 19.24 N ATOM 433 CA PHE A1090 27.415 11.035 15.169 1.00 20.12 C ATOM 434 C PHE A1090 26.490 11.077 16.388 1.00 22.19 C ATOM 435 O PHE A1090 26.268 12.152 16.949 1.00 23.19 O ATOM 436 CB PHE A1090 26.742 11.717 13.969 1.00 20.76 C ATOM 437 CG PHE A1090 27.670 11.998 12.809 1.00 19.43 C ATOM 438 CD1 PHE A1090 28.969 12.469 13.007 1.00 17.99 C ATOM 439 CD2 PHE A1090 27.229 11.817 11.502 1.00 19.98 C ATOM 440 CE1 PHE A1090 29.804 12.724 11.935 1.00 17.34 C ATOM 441 CE2 PHE A1090 28.055 12.087 10.427 1.00 19.32 C ATOM 442 CZ PHE A1090 29.343 12.542 10.641 1.00 18.01 C ATOM 443 H PHE A1090 27.497 9.204 13.989 1.00 0.00 H ATOM 444 N ASP A1091 25.951 9.928 16.792 1.00 23.50 N ATOM 445 CA ASP A1091 25.227 9.829 18.057 1.00 25.88 C ATOM 446 C ASP A1091 26.171 9.925 19.257 1.00 25.32 C ATOM 447 O ASP A1091 25.760 10.344 20.339 1.00 27.14 O ATOM 448 CB ASP A1091 24.441 8.518 18.145 1.00 27.83 C ATOM 449 CG ASP A1091 23.404 8.368 17.039 1.00 29.20 C ATOM 450 OD1 ASP A1091 22.949 9.385 16.477 1.00 30.09 O ATOM 451 OD2 ASP A1091 23.035 7.218 16.739 1.00 30.72 O ATOM 452 H ASP A1091 26.048 9.083 16.194 1.00 0.00 H ATOM 453 N ILE A1092 27.415 9.492 19.071 1.00 23.12 N ATOM 454 CA ILE A1092 28.417 9.486 20.132 1.00 22.88 C ATOM 455 C ILE A1092 29.320 10.712 20.074 1.00 21.20 C ATOM 456 O ILE A1092 29.614 11.303 21.103 1.00 21.64 O ATOM 457 CB ILE A1092 29.267 8.197 20.046 1.00 22.58 C ATOM 458 CG1 ILE A1092 28.373 6.956 20.222 1.00 24.64 C ATOM 459 CG2 ILE A1092 30.407 8.211 21.063 1.00 22.69 C ATOM 460 CD1 ILE A1092 27.531 6.947 21.475 1.00 27.31 C ATOM 461 H ILE A1092 27.685 9.143 18.129 1.00 0.00 H ATOM 462 N VAL A1093 29.780 11.058 18.877 1.00 19.47 N ATOM 463 CA VAL A1093 30.700 12.177 18.670 1.00 18.41 C ATOM 464 C VAL A1093 29.914 13.368 18.126 1.00 19.10 C ATOM 465 O VAL A1093 29.556 13.410 16.948 1.00 18.90 O ATOM 466 CB VAL A1093 31.833 11.795 17.702 1.00 16.81 C ATOM 467 CG1 VAL A1093 32.697 13.005 17.379 1.00 15.91 C ATOM 468 CG2 VAL A1093 32.684 10.690 18.315 1.00 16.93 C ATOM 469 H VAL A1093 29.472 10.509 18.049 1.00 0.00 H ATOM 470 N LYS A1094 29.664 14.333 19.000 1.00 20.31 N ATOM 471 CA LYS A1094 28.840 15.492 18.675 1.00 21.69 C ATOM 472 C LYS A1094 29.596 16.629 18.000 1.00 20.75 C ATOM 473 O LYS A1094 28.970 17.461 17.341 1.00 21.94 O ATOM 474 CB LYS A1094 28.146 15.991 19.944 1.00 24.22 C ATOM 475 CG LYS A1094 27.227 14.956 20.586 1.00 25.99 C ATOM 476 CD LYS A1094 26.161 14.543 19.584 1.00 27.03 C ATOM 477 CE LYS A1094 25.124 13.593 20.135 1.00 29.34 C ATOM 478 NZ LYS A1094 24.283 13.101 19.008 1.00 29.96 N ATOM 479 HZ1 LYS A1094 23.816 13.908 18.548 1.00 0.00 H ATOM 480 HZ2 LYS A1094 24.885 12.608 18.318 1.00 0.00 H ATOM 481 HZ3 LYS A1094 23.564 12.445 19.374 1.00 0.00 H ATOM 482 H LYS A1094 30.071 14.261 19.954 1.00 0.00 H ATOM 483 N SER A1095 30.919 16.669 18.153 1.00 18.95 N ATOM 484 CA SER A1095 31.751 17.711 17.543 1.00 18.35 C ATOM 485 C SER A1095 32.926 17.067 16.817 1.00 16.49 C ATOM 486 O SER A1095 34.030 17.005 17.359 1.00 15.59 O ATOM 487 CB SER A1095 32.263 18.679 18.613 1.00 19.18 C ATOM 488 OG SER A1095 31.202 19.391 19.213 1.00 21.55 O ATOM 489 HG SER A1095 30.722 19.912 18.521 1.00 0.00 H ATOM 490 H SER A1095 31.379 15.933 18.727 1.00 0.00 H ATOM 491 N PRO A1096 32.691 16.560 15.595 1.00 15.91 N ATOM 492 CA PRO A1096 33.775 15.898 14.864 1.00 14.87 C ATOM 493 C PRO A1096 34.938 16.838 14.551 1.00 14.54 C ATOM 494 O PRO A1096 34.742 18.042 14.368 1.00 15.48 O ATOM 495 CB PRO A1096 33.091 15.413 13.579 1.00 15.27 C ATOM 496 CG PRO A1096 31.649 15.293 13.945 1.00 16.35 C ATOM 497 CD PRO A1096 31.392 16.410 14.909 1.00 17.12 C ATOM 498 N MET A1097 36.144 16.279 14.510 1.00 13.54 N ATOM 499 CA MET A1097 37.338 17.057 14.200 1.00 13.60 C ATOM 500 C MET A1097 38.384 16.137 13.596 1.00 13.48 C ATOM 501 O MET A1097 38.460 14.959 13.958 1.00 13.31 O ATOM 502 CB MET A1097 37.873 17.721 15.475 1.00 13.80 C ATOM 503 CG MET A1097 39.028 18.696 15.281 1.00 14.26 C ATOM 504 SD MET A1097 38.737 20.004 14.076 1.00 15.31 S ATOM 505 CE MET A1097 37.264 20.819 14.712 1.00 16.15 C ATOM 506 H MET A1097 36.238 15.262 14.704 1.00 0.00 H ATOM 507 N ASP A1098 39.170 16.668 12.669 1.00 14.21 N ATOM 508 CA ASP A1098 40.259 15.904 12.061 1.00 13.69 C ATOM 509 C ASP A1098 41.372 16.836 11.624 1.00 12.82 C ATOM 510 O ASP A1098 41.242 18.058 11.700 1.00 12.52 O ATOM 511 CB ASP A1098 39.744 15.090 10.876 1.00 14.86 C ATOM 512 CG ASP A1098 39.489 15.943 9.672 1.00 15.65 C ATOM 513 OD1 ASP A1098 38.557 16.769 9.733 1.00 16.58 O ATOM 514 OD2 ASP A1098 40.222 15.798 8.669 1.00 16.37 O ATOM 515 H ASP A1098 39.008 17.650 12.368 1.00 0.00 H ATOM 516 N LEU A1099 42.471 16.250 11.175 1.00 12.53 N ATOM 517 CA LEU A1099 43.651 17.029 10.802 1.00 12.27 C ATOM 518 C LEU A1099 43.382 17.948 9.617 1.00 12.58 C ATOM 519 O LEU A1099 43.900 19.052 9.577 1.00 12.29 O ATOM 520 CB LEU A1099 44.833 16.116 10.471 1.00 12.93 C ATOM 521 CG LEU A1099 45.417 15.249 11.588 1.00 13.19 C ATOM 522 CD1 LEU A1099 46.386 14.207 11.035 1.00 14.38 C ATOM 523 CD2 LEU A1099 46.083 16.129 12.623 1.00 13.37 C ATOM 524 H LEU A1099 42.496 15.214 11.086 1.00 0.00 H ATOM 525 N SER A1100 42.583 17.509 8.649 1.00 13.42 N ATOM 526 CA SER A1100 42.327 18.355 7.469 1.00 14.28 C ATOM 527 C SER A1100 41.569 19.623 7.853 1.00 13.66 C ATOM 528 O SER A1100 41.825 20.682 7.306 1.00 13.98 O ATOM 529 CB SER A1100 41.574 17.610 6.363 1.00 16.13 C ATOM 530 OG SER A1100 40.218 17.367 6.694 1.00 16.72 O ATOM 531 HG SER A1100 40.174 16.817 7.516 1.00 0.00 H ATOM 532 H SER A1100 42.140 16.571 8.724 1.00 0.00 H ATOM 533 N THR A1101 40.650 19.507 8.797 1.00 13.45 N ATOM 534 CA THR A1101 39.892 20.667 9.270 1.00 13.70 C ATOM 535 C THR A1101 40.821 21.638 10.004 1.00 12.88 C ATOM 536 O THR A1101 40.787 22.847 9.771 1.00 13.16 O ATOM 537 CB THR A1101 38.728 20.224 10.166 1.00 14.47 C ATOM 538 OG1 THR A1101 37.847 19.390 9.406 1.00 16.24 O ATOM 539 CG2 THR A1101 37.957 21.410 10.709 1.00 15.09 C ATOM 540 HG1 THR A1101 38.342 18.596 9.084 1.00 0.00 H ATOM 541 H THR A1101 40.462 18.572 9.212 1.00 0.00 H ATOM 542 N ILE A1102 41.670 21.098 10.864 1.00 12.29 N ATOM 543 CA ILE A1102 42.625 21.906 11.617 1.00 11.90 C ATOM 544 C ILE A1102 43.609 22.600 10.685 1.00 12.32 C ATOM 545 O ILE A1102 43.908 23.787 10.862 1.00 12.10 O ATOM 546 CB ILE A1102 43.345 21.050 12.682 1.00 11.98 C ATOM 547 CG1 ILE A1102 42.319 20.540 13.703 1.00 12.29 C ATOM 548 CG2 ILE A1102 44.428 21.871 13.383 1.00 12.35 C ATOM 549 CD1 ILE A1102 42.883 19.574 14.723 1.00 12.72 C ATOM 550 H ILE A1102 41.656 20.068 11.008 1.00 0.00 H ATOM 551 N LYS A1103 44.113 21.866 9.695 1.00 12.94 N ATOM 552 CA LYS A1103 45.037 22.453 8.739 1.00 14.37 C ATOM 553 C LYS A1103 44.379 23.606 7.986 1.00 14.48 C ATOM 554 O LYS A1103 45.005 24.650 7.777 1.00 14.91 O ATOM 555 CB LYS A1103 45.561 21.404 7.759 1.00 16.08 C ATOM 556 CG LYS A1103 46.655 21.954 6.859 1.00 18.69 C ATOM 557 CD LYS A1103 47.075 20.972 5.782 1.00 21.24 C ATOM 558 CE LYS A1103 47.352 21.688 4.465 1.00 24.03 C ATOM 559 NZ LYS A1103 48.301 22.834 4.560 1.00 25.21 N ATOM 560 HZ1 LYS A1103 47.918 23.547 5.213 1.00 0.00 H ATOM 561 HZ2 LYS A1103 49.218 22.495 4.915 1.00 0.00 H ATOM 562 HZ3 LYS A1103 48.427 23.257 3.618 1.00 0.00 H ATOM 563 H LYS A1103 43.844 20.866 9.605 1.00 0.00 H ATOM 564 N ARG A1104 43.130 23.418 7.570 1.00 14.59 N ATOM 565 CA ARG A1104 42.398 24.466 6.853 1.00 15.53 C ATOM 566 C ARG A1104 42.245 25.711 7.724 1.00 14.82 C ATOM 567 O ARG A1104 42.408 26.828 7.240 1.00 14.98 O ATOM 568 CB ARG A1104 41.022 23.962 6.401 1.00 16.81 C ATOM 569 CG ARG A1104 40.186 25.016 5.687 1.00 18.58 C ATOM 570 CD ARG A1104 38.909 24.462 5.076 1.00 20.79 C ATOM 571 NE ARG A1104 38.000 23.900 6.087 1.00 20.82 N ATOM 572 CZ ARG A1104 37.787 22.598 6.327 1.00 21.24 C ATOM 573 NH1 ARG A1104 38.426 21.641 5.654 1.00 21.77 N ATOM 574 NH2 ARG A1104 36.929 22.241 7.282 1.00 21.52 N ATOM 575 HE ARG A1104 37.471 24.578 6.672 1.00 0.00 H ATOM 576 HH12 ARG A1104 38.236 20.641 5.866 1.00 0.00 H ATOM 577 HH11 ARG A1104 39.114 21.895 4.917 1.00 0.00 H ATOM 578 HH22 ARG A1104 36.757 21.234 7.476 1.00 0.00 H ATOM 579 HH21 ARG A1104 36.432 22.969 7.833 1.00 0.00 H ATOM 580 H ARG A1104 42.663 22.508 7.757 1.00 0.00 H ATOM 581 N LYS A1105 41.954 25.508 9.003 1.00 13.83 N ATOM 582 CA LYS A1105 41.792 26.634 9.927 1.00 13.80 C ATOM 583 C LYS A1105 43.102 27.402 10.094 1.00 13.82 C ATOM 584 O LYS A1105 43.103 28.635 10.104 1.00 14.04 O ATOM 585 CB LYS A1105 41.222 26.157 11.264 1.00 13.81 C ATOM 586 CG LYS A1105 39.769 25.728 11.151 1.00 14.65 C ATOM 587 CD LYS A1105 39.217 25.123 12.430 1.00 15.25 C ATOM 588 CE LYS A1105 38.856 26.171 13.459 1.00 16.23 C ATOM 589 NZ LYS A1105 38.147 25.542 14.606 1.00 17.44 N ATOM 590 HZ1 LYS A1105 37.277 25.084 14.266 1.00 0.00 H ATOM 591 HZ2 LYS A1105 38.765 24.831 15.046 1.00 0.00 H ATOM 592 HZ3 LYS A1105 37.905 26.273 15.305 1.00 0.00 H ATOM 593 H LYS A1105 41.839 24.536 9.355 1.00 0.00 H ATOM 594 N LEU A1106 44.214 26.682 10.215 1.00 13.78 N ATOM 595 CA LEU A1106 45.535 27.333 10.241 1.00 14.78 C ATOM 596 C LEU A1106 45.845 28.062 8.932 1.00 15.66 C ATOM 597 O LEU A1106 46.373 29.185 8.939 1.00 16.46 O ATOM 598 CB LEU A1106 46.653 26.323 10.511 1.00 15.66 C ATOM 599 CG LEU A1106 46.991 25.951 11.951 1.00 16.02 C ATOM 600 CD1 LEU A1106 48.076 24.881 11.944 1.00 17.17 C ATOM 601 CD2 LEU A1106 47.456 27.156 12.763 1.00 16.89 C ATOM 602 H LEU A1106 44.150 25.647 10.292 1.00 0.00 H ATOM 603 N ASP A1107 45.529 27.421 7.812 1.00 16.06 N ATOM 604 CA ASP A1107 45.848 27.973 6.494 1.00 17.66 C ATOM 605 C ASP A1107 45.072 29.257 6.204 1.00 17.48 C ATOM 606 O ASP A1107 45.592 30.166 5.559 1.00 18.71 O ATOM 607 CB ASP A1107 45.559 26.961 5.379 1.00 19.04 C ATOM 608 CG ASP A1107 46.569 25.820 5.323 1.00 20.34 C ATOM 609 OD1 ASP A1107 47.682 25.941 5.885 1.00 21.26 O ATOM 610 OD2 ASP A1107 46.238 24.781 4.705 1.00 21.51 O ATOM 611 H ASP A1107 45.043 26.504 7.873 1.00 0.00 H ATOM 612 N THR A1108 43.835 29.320 6.678 1.00 16.21 N ATOM 613 CA THR A1108 42.939 30.442 6.388 1.00 16.49 C ATOM 614 C THR A1108 42.896 31.482 7.498 1.00 15.91 C ATOM 615 O THR A1108 42.297 32.534 7.318 1.00 16.53 O ATOM 616 CB THR A1108 41.517 29.939 6.106 1.00 16.69 C ATOM 617 OG1 THR A1108 41.053 29.177 7.221 1.00 15.72 O ATOM 618 CG2 THR A1108 41.518 29.067 4.868 1.00 18.00 C ATOM 619 HG1 THR A1108 41.655 28.404 7.365 1.00 0.00 H ATOM 620 H THR A1108 43.488 28.544 7.278 1.00 0.00 H ATOM 621 N GLY A1109 43.523 31.186 8.633 1.00 15.19 N ATOM 622 CA GLY A1109 43.634 32.146 9.731 1.00 15.46 C ATOM 623 C GLY A1109 42.445 32.216 10.669 1.00 15.38 C ATOM 624 O GLY A1109 42.111 33.291 11.173 1.00 16.38 O ATOM 625 H GLY A1109 43.947 30.243 8.743 1.00 0.00 H ATOM 626 N GLN A1110 41.812 31.077 10.930 1.00 14.66 N ATOM 627 CA GLN A1110 40.616 31.032 11.761 1.00 15.08 C ATOM 628 C GLN A1110 40.897 30.961 13.258 1.00 15.56 C ATOM 629 O GLN A1110 39.951 31.021 14.036 1.00 16.92 O ATOM 630 CB GLN A1110 39.733 29.863 11.352 1.00 15.02 C ATOM 631 CG GLN A1110 39.220 30.000 9.932 1.00 15.47 C ATOM 632 CD GLN A1110 38.280 28.891 9.550 1.00 16.09 C ATOM 633 OE1 GLN A1110 37.412 28.512 10.328 1.00 16.66 O ATOM 634 NE2 GLN A1110 38.448 28.354 8.347 1.00 16.34 N ATOM 635 HE22 GLN A1110 39.198 28.708 7.720 1.00 0.00 H ATOM 636 HE21 GLN A1110 37.829 27.580 8.032 1.00 0.00 H ATOM 637 H GLN A1110 42.181 30.191 10.529 1.00 0.00 H ATOM 638 N TYR A1111 42.158 30.827 13.674 1.00 15.17 N ATOM 639 CA TYR A1111 42.494 30.839 15.109 1.00 16.12 C ATOM 640 C TYR A1111 42.949 32.239 15.510 1.00 17.31 C ATOM 641 O TYR A1111 43.810 32.820 14.859 1.00 17.29 O ATOM 642 CB TYR A1111 43.593 29.820 15.429 1.00 15.87 C ATOM 643 CG TYR A1111 43.210 28.385 15.167 1.00 15.04 C ATOM 644 CD1 TYR A1111 42.177 27.785 15.870 1.00 15.41 C ATOM 645 CD2 TYR A1111 43.884 27.616 14.221 1.00 14.11 C ATOM 646 CE1 TYR A1111 41.817 26.467 15.641 1.00 14.84 C ATOM 647 CE2 TYR A1111 43.540 26.298 13.998 1.00 13.53 C ATOM 648 CZ TYR A1111 42.508 25.720 14.706 1.00 13.77 C ATOM 649 OH TYR A1111 42.158 24.416 14.469 1.00 13.52 O ATOM 650 HH TYR A1111 41.404 24.165 15.060 1.00 0.00 H ATOM 651 H TYR A1111 42.917 30.712 12.973 1.00 0.00 H ATOM 652 N GLN A1112 42.359 32.785 16.571 1.00 17.10 N ATOM 653 CA GLN A1112 42.772 34.076 17.104 1.00 18.13 C ATOM 654 C GLN A1112 43.919 33.944 18.086 1.00 17.85 C ATOM 655 O GLN A1112 44.705 34.879 18.252 1.00 18.31 O ATOM 656 CB GLN A1112 41.597 34.788 17.767 1.00 19.70 C ATOM 657 CG GLN A1112 40.502 35.180 16.791 1.00 20.91 C ATOM 658 CD GLN A1112 39.500 34.072 16.542 1.00 21.08 C ATOM 659 OE1 GLN A1112 38.884 33.568 17.475 1.00 21.91 O ATOM 660 NE2 GLN A1112 39.330 33.681 15.279 1.00 21.11 N ATOM 661 HE22 GLN A1112 39.873 34.135 14.517 1.00 0.00 H ATOM 662 HE21 GLN A1112 38.655 32.922 15.056 1.00 0.00 H ATOM 663 H GLN A1112 41.580 32.274 17.033 1.00 0.00 H ATOM 664 N GLU A1113 44.017 32.796 18.749 1.00 17.30 N ATOM 665 CA GLU A1113 45.067 32.576 19.733 1.00 17.83 C ATOM 666 C GLU A1113 45.378 31.082 19.797 1.00 16.73 C ATOM 667 O GLU A1113 44.529 30.250 19.466 1.00 15.68 O ATOM 668 CB GLU A1113 44.639 33.187 21.071 1.00 19.54 C ATOM 669 CG GLU A1113 43.364 32.611 21.650 1.00 20.15 C ATOM 670 CD GLU A1113 43.614 31.421 22.545 1.00 20.53 C ATOM 671 OE1 GLU A1113 42.628 30.773 22.956 1.00 21.44 O ATOM 672 OE2 GLU A1113 44.801 31.141 22.848 1.00 20.92 O ATOM 673 H GLU A1113 43.329 32.039 18.561 1.00 0.00 H ATOM 674 N PRO A1114 46.603 30.726 20.198 1.00 16.89 N ATOM 675 CA PRO A1114 47.063 29.353 19.961 1.00 16.27 C ATOM 676 C PRO A1114 46.352 28.256 20.760 1.00 15.98 C ATOM 677 O PRO A1114 46.348 27.103 20.334 1.00 15.14 O ATOM 678 CB PRO A1114 48.548 29.416 20.318 1.00 17.39 C ATOM 679 CG PRO A1114 48.682 30.566 21.240 1.00 18.67 C ATOM 680 CD PRO A1114 47.645 31.562 20.828 1.00 18.23 C ATOM 681 N TRP A1115 45.760 28.595 21.901 1.00 16.70 N ATOM 682 CA TRP A1115 45.029 27.587 22.664 1.00 16.98 C ATOM 683 C TRP A1115 43.780 27.083 21.935 1.00 15.71 C ATOM 684 O TRP A1115 43.315 25.980 22.223 1.00 15.30 O ATOM 685 CB TRP A1115 44.690 28.086 24.068 1.00 19.21 C ATOM 686 CG TRP A1115 45.902 28.212 24.939 1.00 21.21 C ATOM 687 CD1 TRP A1115 46.547 29.361 25.288 1.00 22.88 C ATOM 688 CD2 TRP A1115 46.620 27.143 25.563 1.00 22.40 C ATOM 689 NE1 TRP A1115 47.615 29.081 26.096 1.00 24.73 N ATOM 690 CE2 TRP A1115 47.688 27.726 26.283 1.00 24.47 C ATOM 691 CE3 TRP A1115 46.474 25.748 25.575 1.00 22.21 C ATOM 692 CZ2 TRP A1115 48.600 26.966 27.018 1.00 26.39 C ATOM 693 CZ3 TRP A1115 47.383 24.986 26.316 1.00 23.89 C ATOM 694 CH2 TRP A1115 48.431 25.602 27.026 1.00 25.90 C ATOM 695 HE1 TRP A1115 48.266 29.783 26.502 1.00 0.00 H ATOM 696 H TRP A1115 45.817 29.574 22.249 1.00 0.00 H ATOM 697 N GLN A1116 43.249 27.871 20.995 1.00 15.10 N ATOM 698 CA GLN A1116 42.128 27.403 20.176 1.00 14.50 C ATOM 699 C GLN A1116 42.553 26.243 19.280 1.00 13.10 C ATOM 700 O GLN A1116 41.784 25.325 19.036 1.00 12.75 O ATOM 701 CB GLN A1116 41.563 28.538 19.324 1.00 15.15 C ATOM 702 CG GLN A1116 40.918 29.662 20.133 1.00 17.03 C ATOM 703 CD GLN A1116 40.516 30.837 19.266 1.00 18.10 C ATOM 704 OE1 GLN A1116 41.080 31.048 18.200 1.00 18.48 O ATOM 705 NE2 GLN A1116 39.549 31.609 19.719 1.00 20.03 N ATOM 706 HE22 GLN A1116 39.096 31.394 20.630 1.00 0.00 H ATOM 707 HE21 GLN A1116 39.239 32.433 19.165 1.00 0.00 H ATOM 708 H GLN A1116 43.635 28.825 20.844 1.00 0.00 H ATOM 709 N TYR A1117 43.777 26.318 18.767 1.00 12.55 N ATOM 710 CA TYR A1117 44.361 25.218 17.992 1.00 11.87 C ATOM 711 C TYR A1117 44.551 23.968 18.864 1.00 11.81 C ATOM 712 O TYR A1117 44.138 22.868 18.495 1.00 11.51 O ATOM 713 CB TYR A1117 45.684 25.681 17.357 1.00 12.01 C ATOM 714 CG TYR A1117 46.575 24.570 16.856 1.00 11.87 C ATOM 715 CD1 TYR A1117 46.328 23.952 15.634 1.00 11.67 C ATOM 716 CD2 TYR A1117 47.666 24.141 17.599 1.00 12.34 C ATOM 717 CE1 TYR A1117 47.151 22.932 15.166 1.00 12.15 C ATOM 718 CE2 TYR A1117 48.489 23.135 17.144 1.00 12.79 C ATOM 719 CZ TYR A1117 48.220 22.522 15.931 1.00 12.61 C ATOM 720 OH TYR A1117 49.042 21.514 15.503 1.00 13.43 O ATOM 721 HH TYR A1117 49.965 21.860 15.409 1.00 0.00 H ATOM 722 H TYR A1117 44.337 27.181 18.919 1.00 0.00 H ATOM 723 N VAL A1118 45.149 24.156 20.034 1.00 12.44 N ATOM 724 CA VAL A1118 45.340 23.073 20.989 1.00 12.93 C ATOM 725 C VAL A1118 43.999 22.404 21.305 1.00 12.90 C ATOM 726 O VAL A1118 43.911 21.184 21.357 1.00 12.80 O ATOM 727 CB VAL A1118 46.032 23.566 22.276 1.00 14.30 C ATOM 728 CG1 VAL A1118 46.083 22.460 23.322 1.00 15.18 C ATOM 729 CG2 VAL A1118 47.435 24.070 21.973 1.00 14.92 C ATOM 730 H VAL A1118 45.492 25.107 20.277 1.00 0.00 H ATOM 731 N ASP A1119 42.963 23.218 21.512 1.00 13.47 N ATOM 732 CA ASP A1119 41.620 22.693 21.778 1.00 14.19 C ATOM 733 C ASP A1119 41.088 21.796 20.677 1.00 13.21 C ATOM 734 O ASP A1119 40.476 20.768 20.961 1.00 13.24 O ATOM 735 CB ASP A1119 40.620 23.827 22.017 1.00 15.50 C ATOM 736 CG ASP A1119 40.794 24.503 23.364 1.00 17.42 C ATOM 737 OD1 ASP A1119 41.503 23.968 24.238 1.00 18.40 O ATOM 738 OD2 ASP A1119 40.206 25.581 23.544 1.00 19.30 O ATOM 739 H ASP A1119 43.111 24.247 21.484 1.00 0.00 H ATOM 740 N ASP A1120 41.314 22.171 19.421 1.00 12.62 N ATOM 741 CA ASP A1120 40.876 21.341 18.302 1.00 12.41 C ATOM 742 C ASP A1120 41.646 20.031 18.212 1.00 11.75 C ATOM 743 O ASP A1120 41.053 18.983 17.974 1.00 11.64 O ATOM 744 CB ASP A1120 40.984 22.091 16.974 1.00 12.63 C ATOM 745 CG ASP A1120 39.813 23.017 16.721 1.00 13.89 C ATOM 746 OD1 ASP A1120 38.813 22.976 17.477 1.00 15.06 O ATOM 747 OD2 ASP A1120 39.879 23.784 15.741 1.00 14.23 O ATOM 748 H ASP A1120 41.809 23.066 19.233 1.00 0.00 H ATOM 749 N ILE A1121 42.952 20.096 18.430 1.00 11.54 N ATOM 750 CA ILE A1121 43.766 18.884 18.461 1.00 11.50 C ATOM 751 C ILE A1121 43.245 17.935 19.551 1.00 11.59 C ATOM 752 O ILE A1121 43.028 16.750 19.303 1.00 11.49 O ATOM 753 CB ILE A1121 45.256 19.220 18.692 1.00 12.06 C ATOM 754 CG1 ILE A1121 45.849 19.968 17.489 1.00 12.22 C ATOM 755 CG2 ILE A1121 46.056 17.961 18.964 1.00 12.64 C ATOM 756 CD1 ILE A1121 46.183 19.089 16.301 1.00 12.65 C ATOM 757 H ILE A1121 43.402 21.021 18.581 1.00 0.00 H ATOM 758 N TRP A1122 43.034 18.445 20.758 1.00 11.95 N ATOM 759 CA TRP A1122 42.523 17.635 21.874 1.00 12.48 C ATOM 760 C TRP A1122 41.132 17.076 21.584 1.00 12.47 C ATOM 761 O TRP A1122 40.793 15.968 21.993 1.00 12.77 O ATOM 762 CB TRP A1122 42.451 18.459 23.163 1.00 13.52 C ATOM 763 CG TRP A1122 43.753 18.701 23.855 1.00 14.26 C ATOM 764 CD1 TRP A1122 44.931 18.035 23.670 1.00 14.39 C ATOM 765 CD2 TRP A1122 43.993 19.654 24.897 1.00 15.51 C ATOM 766 NE1 TRP A1122 45.894 18.535 24.512 1.00 15.72 N ATOM 767 CE2 TRP A1122 45.344 19.528 25.276 1.00 16.43 C ATOM 768 CE3 TRP A1122 43.199 20.616 25.535 1.00 16.33 C ATOM 769 CZ2 TRP A1122 45.920 20.317 26.278 1.00 18.16 C ATOM 770 CZ3 TRP A1122 43.772 21.402 26.524 1.00 18.01 C ATOM 771 CH2 TRP A1122 45.119 21.248 26.887 1.00 18.88 C ATOM 772 HE1 TRP A1122 46.881 18.211 24.561 1.00 0.00 H ATOM 773 H TRP A1122 43.237 19.452 20.920 1.00 0.00 H ATOM 774 N LEU A1123 40.311 17.873 20.903 1.00 12.18 N ATOM 775 CA LEU A1123 38.968 17.431 20.540 1.00 12.77 C ATOM 776 C LEU A1123 39.050 16.209 19.629 1.00 12.32 C ATOM 777 O LEU A1123 38.339 15.219 19.827 1.00 12.62 O ATOM 778 CB LEU A1123 38.171 18.564 19.877 1.00 13.31 C ATOM 779 CG LEU A1123 36.812 18.176 19.291 1.00 14.20 C ATOM 780 CD1 LEU A1123 35.887 17.579 20.350 1.00 15.40 C ATOM 781 CD2 LEU A1123 36.191 19.371 18.601 1.00 14.95 C ATOM 782 H LEU A1123 40.631 18.823 20.626 1.00 0.00 H ATOM 783 N MET A1124 39.921 16.286 18.635 1.00 11.77 N ATOM 784 CA MET A1124 40.154 15.154 17.734 1.00 11.83 C ATOM 785 C MET A1124 40.571 13.891 18.497 1.00 11.77 C ATOM 786 O MET A1124 40.026 12.815 18.254 1.00 11.93 O ATOM 787 CB MET A1124 41.199 15.534 16.688 1.00 11.99 C ATOM 788 CG MET A1124 41.561 14.413 15.732 1.00 12.64 C ATOM 789 SD MET A1124 42.834 14.931 14.575 1.00 13.32 S ATOM 790 CE MET A1124 44.267 14.827 15.648 1.00 13.91 C ATOM 791 H MET A1124 40.451 17.169 18.490 1.00 0.00 H ATOM 792 N PHE A1125 41.498 14.025 19.442 1.00 11.55 N ATOM 793 CA PHE A1125 41.946 12.880 20.232 1.00 12.02 C ATOM 794 C PHE A1125 40.830 12.350 21.126 1.00 12.56 C ATOM 795 O PHE A1125 40.593 11.140 21.198 1.00 12.95 O ATOM 796 CB PHE A1125 43.166 13.218 21.114 1.00 12.49 C ATOM 797 CG PHE A1125 44.412 13.619 20.357 1.00 12.65 C ATOM 798 CD1 PHE A1125 44.694 13.134 19.075 1.00 12.52 C ATOM 799 CD2 PHE A1125 45.343 14.449 20.971 1.00 13.10 C ATOM 800 CE1 PHE A1125 45.854 13.516 18.417 1.00 13.07 C ATOM 801 CE2 PHE A1125 46.508 14.823 20.313 1.00 13.50 C ATOM 802 CZ PHE A1125 46.766 14.344 19.040 1.00 13.47 C ATOM 803 H PHE A1125 41.912 14.962 19.622 1.00 0.00 H ATOM 804 N ASN A1126 40.171 13.256 21.832 1.00 12.79 N ATOM 805 CA ASN A1126 39.119 12.856 22.761 1.00 13.46 C ATOM 806 C ASN A1126 37.983 12.135 22.051 1.00 13.06 C ATOM 807 O ASN A1126 37.442 11.161 22.578 1.00 13.18 O ATOM 808 CB ASN A1126 38.608 14.066 23.536 1.00 14.76 C ATOM 809 CG ASN A1126 39.607 14.568 24.564 1.00 16.00 C ATOM 810 OD1 ASN A1126 40.468 13.822 25.036 1.00 16.63 O ATOM 811 ND2 ASN A1126 39.487 15.835 24.929 1.00 17.42 N ATOM 812 HD22 ASN A1126 38.746 16.430 24.506 1.00 0.00 H ATOM 813 HD21 ASN A1126 40.133 16.235 25.639 1.00 0.00 H ATOM 814 H ASN A1126 40.406 14.263 21.723 1.00 0.00 H ATOM 815 N ASN A1127 37.646 12.573 20.841 1.00 12.77 N ATOM 816 CA ASN A1127 36.614 11.885 20.045 1.00 12.67 C ATOM 817 C ASN A1127 36.998 10.440 19.773 1.00 12.30 C ATOM 818 O ASN A1127 36.184 9.540 19.931 1.00 12.80 O ATOM 819 CB ASN A1127 36.361 12.596 18.706 1.00 12.74 C ATOM 820 CG ASN A1127 35.623 13.906 18.866 1.00 13.49 C ATOM 821 OD1 ASN A1127 35.040 14.188 19.913 1.00 14.01 O ATOM 822 ND2 ASN A1127 35.646 14.720 17.822 1.00 13.81 N ATOM 823 HD22 ASN A1127 36.151 14.442 16.957 1.00 0.00 H ATOM 824 HD21 ASN A1127 35.159 15.638 17.867 1.00 0.00 H ATOM 825 H ASN A1127 38.118 13.414 20.451 1.00 0.00 H ATOM 826 N ALA A1128 38.240 10.229 19.367 1.00 11.95 N ATOM 827 CA ALA A1128 38.704 8.881 19.023 1.00 11.91 C ATOM 828 C ALA A1128 38.783 7.989 20.259 1.00 12.51 C ATOM 829 O ALA A1128 38.421 6.818 20.199 1.00 13.06 O ATOM 830 CB ALA A1128 40.033 8.940 18.294 1.00 11.73 C ATOM 831 H ALA A1128 38.897 11.032 19.291 1.00 0.00 H ATOM 832 N TRP A1129 39.230 8.539 21.384 1.00 12.76 N ATOM 833 CA TRP A1129 39.271 7.752 22.614 1.00 13.62 C ATOM 834 C TRP A1129 37.879 7.433 23.137 1.00 14.65 C ATOM 835 O TRP A1129 37.678 6.400 23.779 1.00 15.55 O ATOM 836 CB TRP A1129 40.074 8.458 23.692 1.00 14.07 C ATOM 837 CG TRP A1129 41.553 8.470 23.481 1.00 13.70 C ATOM 838 CD1 TRP A1129 42.349 7.444 23.022 1.00 13.53 C ATOM 839 CD2 TRP A1129 42.434 9.550 23.792 1.00 13.88 C ATOM 840 NE1 TRP A1129 43.663 7.839 23.007 1.00 13.65 N ATOM 841 CE2 TRP A1129 43.745 9.125 23.481 1.00 13.93 C ATOM 842 CE3 TRP A1129 42.239 10.847 24.289 1.00 14.27 C ATOM 843 CZ2 TRP A1129 44.859 9.958 23.649 1.00 14.53 C ATOM 844 CZ3 TRP A1129 43.344 11.670 24.462 1.00 14.91 C ATOM 845 CH2 TRP A1129 44.642 11.216 24.155 1.00 15.00 C ATOM 846 HE1 TRP A1129 44.466 7.259 22.689 1.00 0.00 H ATOM 847 H TRP A1129 39.550 9.528 21.388 1.00 0.00 H ATOM 848 N LEU A1130 36.929 8.330 22.886 1.00 14.80 N ATOM 849 CA LEU A1130 35.543 8.128 23.289 1.00 15.95 C ATOM 850 C LEU A1130 34.889 7.007 22.481 1.00 16.11 C ATOM 851 O LEU A1130 34.247 6.110 23.054 1.00 17.23 O ATOM 852 CB LEU A1130 34.746 9.434 23.126 1.00 16.51 C ATOM 853 CG LEU A1130 33.247 9.415 23.420 1.00 17.84 C ATOM 854 CD1 LEU A1130 32.981 8.948 24.841 1.00 19.15 C ATOM 855 CD2 LEU A1130 32.645 10.791 23.161 1.00 18.32 C ATOM 856 H LEU A1130 37.184 9.205 22.385 1.00 0.00 H ATOM 857 N TYR A1131 35.051 7.056 21.165 1.00 15.29 N ATOM 858 CA TYR A1131 34.280 6.187 20.285 1.00 15.67 C ATOM 859 C TYR A1131 34.861 4.776 20.184 1.00 15.65 C ATOM 860 O TYR A1131 34.121 3.787 20.253 1.00 16.75 O ATOM 861 CB TYR A1131 34.123 6.788 18.875 1.00 15.36 C ATOM 862 CG TYR A1131 33.246 5.898 18.038 1.00 16.11 C ATOM 863 CD1 TYR A1131 31.856 6.007 18.097 1.00 17.35 C ATOM 864 CD2 TYR A1131 33.792 4.869 17.265 1.00 16.24 C ATOM 865 CE1 TYR A1131 31.040 5.147 17.378 1.00 18.56 C ATOM 866 CE2 TYR A1131 32.982 4.006 16.547 1.00 17.45 C ATOM 867 CZ TYR A1131 31.605 4.152 16.596 1.00 18.60 C ATOM 868 OH TYR A1131 30.783 3.292 15.891 1.00 20.28 O ATOM 869 HH TYR A1131 29.837 3.543 16.042 1.00 0.00 H ATOM 870 H TYR A1131 35.737 7.723 20.756 1.00 0.00 H ATOM 871 N ASN A1132 36.173 4.693 20.000 1.00 14.77 N ATOM 872 CA ASN A1132 36.827 3.426 19.698 1.00 15.24 C ATOM 873 C ASN A1132 37.112 2.626 20.950 1.00 15.98 C ATOM 874 O ASN A1132 37.379 3.192 22.007 1.00 15.90 O ATOM 875 CB ASN A1132 38.115 3.683 18.927 1.00 14.50 C ATOM 876 CG ASN A1132 37.856 4.416 17.630 1.00 14.27 C ATOM 877 OD1 ASN A1132 37.459 3.810 16.640 1.00 14.96 O ATOM 878 ND2 ASN A1132 38.041 5.730 17.640 1.00 13.86 N ATOM 879 HD22 ASN A1132 38.379 6.201 18.503 1.00 0.00 H ATOM 880 HD21 ASN A1132 37.848 6.289 16.784 1.00 0.00 H ATOM 881 H ASN A1132 36.750 5.555 20.073 1.00 0.00 H ATOM 882 N ARG A1133 37.075 1.306 20.820 1.00 16.87 N ATOM 883 CA ARG A1133 37.408 0.432 21.942 1.00 18.14 C ATOM 884 C ARG A1133 38.868 0.620 22.338 1.00 17.31 C ATOM 885 O ARG A1133 39.727 0.938 21.498 1.00 16.22 O ATOM 886 CB ARG A1133 37.104 -1.025 21.619 1.00 20.01 C ATOM 887 CG ARG A1133 35.611 -1.277 21.513 1.00 21.76 C ATOM 888 CD ARG A1133 35.279 -2.754 21.551 1.00 24.31 C ATOM 889 NE ARG A1133 33.850 -2.974 21.762 1.00 26.62 N ATOM 890 CZ ARG A1133 33.270 -4.167 21.880 1.00 29.24 C ATOM 891 NH1 ARG A1133 33.989 -5.290 21.809 1.00 30.43 N ATOM 892 NH2 ARG A1133 31.954 -4.244 22.068 1.00 31.26 N ATOM 893 HE ARG A1133 33.239 -2.135 21.825 1.00 0.00 H ATOM 894 HH12 ARG A1133 33.521 -6.214 21.903 1.00 0.00 H ATOM 895 HH11 ARG A1133 35.017 -5.241 21.660 1.00 0.00 H ATOM 896 HH22 ARG A1133 31.495 -5.173 22.161 1.00 0.00 H ATOM 897 HH21 ARG A1133 31.385 -3.375 22.122 1.00 0.00 H ATOM 898 H ARG A1133 36.805 0.888 19.907 1.00 0.00 H ATOM 899 N LYS A1134 39.135 0.434 23.622 1.00 18.03 N ATOM 900 CA LYS A1134 40.445 0.742 24.179 1.00 17.91 C ATOM 901 C LYS A1134 41.571 -0.148 23.661 1.00 18.48 C ATOM 902 O LYS A1134 42.734 0.199 23.815 1.00 18.99 O ATOM 903 CB LYS A1134 40.399 0.729 25.712 1.00 19.08 C ATOM 904 CG LYS A1134 40.087 -0.630 26.331 1.00 20.78 C ATOM 905 CD LYS A1134 39.921 -0.569 27.843 1.00 22.26 C ATOM 906 CE LYS A1134 38.677 0.184 28.301 1.00 22.24 C ATOM 907 NZ LYS A1134 37.399 -0.515 27.969 1.00 22.81 N ATOM 908 HZ1 LYS A1134 37.328 -0.635 26.938 1.00 0.00 H ATOM 909 HZ2 LYS A1134 37.386 -1.447 28.429 1.00 0.00 H ATOM 910 HZ3 LYS A1134 36.596 0.052 28.309 1.00 0.00 H ATOM 911 H LYS A1134 38.392 0.060 24.246 1.00 0.00 H ATOM 912 N THR A1135 41.233 -1.285 23.063 1.00 19.16 N ATOM 913 CA THR A1135 42.212 -2.187 22.457 1.00 19.86 C ATOM 914 C THR A1135 42.323 -2.010 20.945 1.00 18.53 C ATOM 915 O THR A1135 43.108 -2.709 20.312 1.00 18.83 O ATOM 916 CB THR A1135 41.840 -3.660 22.741 1.00 22.25 C ATOM 917 OG1 THR A1135 40.466 -3.883 22.369 1.00 23.44 O ATOM 918 CG2 THR A1135 42.021 -3.963 24.191 1.00 23.80 C ATOM 919 HG1 THR A1135 40.351 -3.691 21.405 1.00 0.00 H ATOM 920 H THR A1135 40.227 -1.546 23.024 1.00 0.00 H ATOM 921 N SER A1136 41.540 -1.100 20.371 1.00 16.98 N ATOM 922 CA SER A1136 41.459 -0.985 18.921 1.00 16.28 C ATOM 923 C SER A1136 42.648 -0.237 18.335 1.00 15.29 C ATOM 924 O SER A1136 43.315 0.559 19.007 1.00 14.92 O ATOM 925 CB SER A1136 40.160 -0.293 18.511 1.00 15.85 C ATOM 926 OG SER A1136 40.188 1.078 18.843 1.00 14.62 O ATOM 927 HG SER A1136 40.305 1.177 19.821 1.00 0.00 H ATOM 928 H SER A1136 40.977 -0.461 20.967 1.00 0.00 H ATOM 929 N ARG A1137 42.889 -0.500 17.057 1.00 15.23 N ATOM 930 CA ARG A1137 43.974 0.137 16.336 1.00 14.67 C ATOM 931 C ARG A1137 43.849 1.655 16.342 1.00 13.83 C ATOM 932 O ARG A1137 44.823 2.366 16.601 1.00 13.40 O ATOM 933 CB ARG A1137 43.996 -0.378 14.902 1.00 15.20 C ATOM 934 CG ARG A1137 45.132 0.155 14.061 1.00 15.05 C ATOM 935 CD ARG A1137 45.177 -0.530 12.710 1.00 16.10 C ATOM 936 NE ARG A1137 45.542 -1.940 12.807 1.00 17.28 N ATOM 937 CZ ARG A1137 46.783 -2.428 12.791 1.00 17.89 C ATOM 938 NH1 ARG A1137 47.847 -1.634 12.659 1.00 17.37 N ATOM 939 NH2 ARG A1137 46.966 -3.737 12.911 1.00 19.49 N ATOM 940 HE ARG A1137 44.765 -2.625 12.897 1.00 0.00 H ATOM 941 HH12 ARG A1137 48.803 -2.043 12.650 1.00 0.00 H ATOM 942 HH11 ARG A1137 47.720 -0.606 12.565 1.00 0.00 H ATOM 943 HH22 ARG A1137 47.929 -4.131 12.900 1.00 0.00 H ATOM 944 HH21 ARG A1137 46.147 -4.369 13.016 1.00 0.00 H ATOM 945 H ARG A1137 42.283 -1.182 16.558 1.00 0.00 H ATOM 946 N VAL A1138 42.662 2.172 16.056 1.00 13.67 N ATOM 947 CA VAL A1138 42.526 3.633 15.988 1.00 13.13 C ATOM 948 C VAL A1138 42.711 4.290 17.363 1.00 12.59 C ATOM 949 O VAL A1138 43.307 5.351 17.453 1.00 12.19 O ATOM 950 CB VAL A1138 41.217 4.045 15.290 1.00 13.53 C ATOM 951 CG1 VAL A1138 40.946 5.532 15.433 1.00 13.26 C ATOM 952 CG2 VAL A1138 41.281 3.648 13.831 1.00 14.28 C ATOM 953 H VAL A1138 41.843 1.555 15.883 1.00 0.00 H ATOM 954 N TYR A1139 42.248 3.638 18.432 1.00 12.88 N ATOM 955 CA TYR A1139 42.487 4.125 19.787 1.00 12.99 C ATOM 956 C TYR A1139 43.998 4.171 20.059 1.00 12.86 C ATOM 957 O TYR A1139 44.510 5.173 20.549 1.00 12.67 O ATOM 958 CB TYR A1139 41.758 3.232 20.791 1.00 13.90 C ATOM 959 CG TYR A1139 41.733 3.693 22.242 1.00 14.52 C ATOM 960 CD1 TYR A1139 42.872 3.618 23.046 1.00 15.20 C ATOM 961 CD2 TYR A1139 40.547 4.120 22.837 1.00 14.74 C ATOM 962 CE1 TYR A1139 42.841 3.996 24.381 1.00 15.97 C ATOM 963 CE2 TYR A1139 40.505 4.499 24.173 1.00 15.64 C ATOM 964 CZ TYR A1139 41.653 4.429 24.944 1.00 16.35 C ATOM 965 OH TYR A1139 41.624 4.796 26.269 1.00 18.03 O ATOM 966 HH TYR A1139 41.348 5.744 26.342 1.00 0.00 H ATOM 967 H TYR A1139 41.704 2.762 18.296 1.00 0.00 H ATOM 968 N LYS A1140 44.710 3.101 19.710 1.00 13.28 N ATOM 969 CA LYS A1140 46.157 3.062 19.910 1.00 13.72 C ATOM 970 C LYS A1140 46.897 4.098 19.058 1.00 13.27 C ATOM 971 O LYS A1140 47.838 4.750 19.528 1.00 13.52 O ATOM 972 CB LYS A1140 46.706 1.667 19.618 1.00 14.71 C ATOM 973 CG LYS A1140 46.254 0.598 20.603 1.00 15.84 C ATOM 974 CD LYS A1140 46.599 -0.777 20.073 1.00 16.84 C ATOM 975 CE LYS A1140 46.341 -1.886 21.081 1.00 18.41 C ATOM 976 NZ LYS A1140 46.767 -3.201 20.534 1.00 19.74 N ATOM 977 HZ1 LYS A1140 46.232 -3.404 19.665 1.00 0.00 H ATOM 978 HZ2 LYS A1140 47.784 -3.172 20.317 1.00 0.00 H ATOM 979 HZ3 LYS A1140 46.582 -3.944 21.238 1.00 0.00 H ATOM 980 H LYS A1140 44.229 2.281 19.289 1.00 0.00 H ATOM 981 N TYR A1141 46.484 4.249 17.807 1.00 12.89 N ATOM 982 CA TYR A1141 47.043 5.301 16.946 1.00 12.68 C ATOM 983 C TYR A1141 46.826 6.694 17.542 1.00 12.59 C ATOM 984 O TYR A1141 47.739 7.524 17.543 1.00 12.80 O ATOM 985 CB TYR A1141 46.426 5.218 15.550 1.00 12.58 C ATOM 986 CG TYR A1141 46.949 4.113 14.650 1.00 13.15 C ATOM 987 CD1 TYR A1141 47.848 3.133 15.101 1.00 13.88 C ATOM 988 CD2 TYR A1141 46.545 4.060 13.320 1.00 13.43 C ATOM 989 CE1 TYR A1141 48.315 2.153 14.244 1.00 14.67 C ATOM 990 CE2 TYR A1141 47.003 3.081 12.465 1.00 14.28 C ATOM 991 CZ TYR A1141 47.888 2.134 12.925 1.00 14.92 C ATOM 992 OH TYR A1141 48.330 1.162 12.060 1.00 16.07 O ATOM 993 HH TYR A1141 48.956 0.560 12.534 1.00 0.00 H ATOM 994 H TYR A1141 45.753 3.613 17.429 1.00 0.00 H ATOM 995 N CYS A1142 45.626 6.937 18.061 1.00 12.28 N ATOM 996 CA CYS A1142 45.323 8.192 18.728 1.00 12.62 C ATOM 997 C CYS A1142 46.286 8.447 19.882 1.00 12.86 C ATOM 998 O CYS A1142 46.832 9.545 20.017 1.00 12.92 O ATOM 999 CB CYS A1142 43.888 8.184 19.231 1.00 12.68 C ATOM 1000 SG CYS A1142 43.419 9.734 19.982 1.00 13.94 S ATOM 1001 H CYS A1142 44.886 6.210 17.988 1.00 0.00 H ATOM 1002 N SER A1143 46.495 7.428 20.717 1.00 13.01 N ATOM 1003 CA SER A1143 47.423 7.556 21.837 1.00 14.09 C ATOM 1004 C SER A1143 48.839 7.913 21.374 1.00 14.65 C ATOM 1005 O SER A1143 49.489 8.758 21.981 1.00 15.52 O ATOM 1006 CB SER A1143 47.421 6.293 22.692 1.00 14.70 C ATOM 1007 OG SER A1143 46.139 6.099 23.271 1.00 14.60 O ATOM 1008 HG SER A1143 46.149 5.277 23.823 1.00 0.00 H ATOM 1009 H SER A1143 45.990 6.531 20.568 1.00 0.00 H ATOM 1010 N LYS A1144 49.292 7.310 20.279 1.00 18.45 N ATOM 1011 CA LYS A1144 50.600 7.657 19.731 1.00 17.86 C ATOM 1012 C LYS A1144 50.662 9.120 19.274 1.00 16.25 C ATOM 1013 O LYS A1144 51.621 9.840 19.592 1.00 15.77 O ATOM 1014 CB LYS A1144 50.979 6.714 18.581 1.00 18.84 C ATOM 1015 CG LYS A1144 52.288 7.038 17.877 1.00 19.05 C ATOM 1016 CD LYS A1144 53.505 6.960 18.788 1.00 20.03 C ATOM 1017 CE LYS A1144 54.744 7.422 18.038 1.00 20.40 C ATOM 1018 NZ LYS A1144 55.970 7.422 18.889 1.00 21.53 N ATOM 1019 HZ1 LYS A1144 55.830 8.062 19.697 1.00 0.00 H ATOM 1020 HZ2 LYS A1144 56.149 6.458 19.236 1.00 0.00 H ATOM 1021 HZ3 LYS A1144 56.782 7.745 18.325 1.00 0.00 H ATOM 1022 H LYS A1144 48.711 6.586 19.810 1.00 0.00 H ATOM 1023 N LEU A1145 49.649 9.569 18.541 1.00 15.43 N ATOM 1024 CA LEU A1145 49.616 10.962 18.111 1.00 14.67 C ATOM 1025 C LEU A1145 49.600 11.922 19.300 1.00 14.42 C ATOM 1026 O LEU A1145 50.259 12.951 19.270 1.00 14.10 O ATOM 1027 CB LEU A1145 48.407 11.254 17.221 1.00 14.91 C ATOM 1028 CG LEU A1145 48.292 10.496 15.903 1.00 15.67 C ATOM 1029 CD1 LEU A1145 47.070 11.029 15.172 1.00 16.36 C ATOM 1030 CD2 LEU A1145 49.538 10.656 15.064 1.00 15.97 C ATOM 1031 H LEU A1145 48.877 8.925 18.273 1.00 0.00 H ATOM 1032 N SER A1146 48.862 11.577 20.349 1.00 14.84 N ATOM 1033 CA SER A1146 48.811 12.441 21.524 1.00 15.30 C ATOM 1034 C SER A1146 50.174 12.530 22.212 1.00 15.78 C ATOM 1035 O SER A1146 50.543 13.587 22.703 1.00 15.98 O ATOM 1036 CB SER A1146 47.732 11.982 22.504 1.00 16.26 C ATOM 1037 OG SER A1146 48.140 10.834 23.221 1.00 17.37 O ATOM 1038 HG SER A1146 48.322 10.097 22.586 1.00 0.00 H ATOM 1039 H SER A1146 48.320 10.690 20.333 1.00 0.00 H ATOM 1040 N GLU A1147 50.918 11.428 22.237 1.00 16.43 N ATOM 1041 CA GLU A1147 52.258 11.427 22.826 1.00 17.59 C ATOM 1042 C GLU A1147 53.186 12.339 22.029 1.00 16.65 C ATOM 1043 O GLU A1147 53.933 13.121 22.607 1.00 17.30 O ATOM 1044 CB GLU A1147 52.814 10.002 22.893 1.00 19.54 C ATOM 1045 CG GLU A1147 52.033 9.095 23.837 1.00 21.99 C ATOM 1046 CD GLU A1147 52.133 7.607 23.512 1.00 24.18 C ATOM 1047 OE1 GLU A1147 51.444 6.813 24.194 1.00 27.10 O ATOM 1048 OE2 GLU A1147 52.901 7.211 22.597 1.00 25.25 O ATOM 1049 H GLU A1147 50.540 10.549 21.830 1.00 0.00 H ATOM 1050 N VAL A1148 53.105 12.258 20.705 1.00 15.82 N ATOM 1051 CA VAL A1148 53.905 13.103 19.840 1.00 15.72 C ATOM 1052 C VAL A1148 53.517 14.567 20.049 1.00 15.91 C ATOM 1053 O VAL A1148 54.388 15.423 20.226 1.00 16.55 O ATOM 1054 CB VAL A1148 53.777 12.684 18.355 1.00 15.75 C ATOM 1055 CG1 VAL A1148 54.435 13.700 17.438 1.00 16.54 C ATOM 1056 CG2 VAL A1148 54.402 11.312 18.143 1.00 16.22 C ATOM 1057 H VAL A1148 52.451 11.571 20.278 1.00 0.00 H ATOM 1058 N PHE A1149 52.218 14.851 20.046 1.00 15.32 N ATOM 1059 CA PHE A1149 51.761 16.222 20.224 1.00 14.98 C ATOM 1060 C PHE A1149 52.230 16.816 21.549 1.00 15.53 C ATOM 1061 O PHE A1149 52.721 17.954 21.570 1.00 15.44 O ATOM 1062 CB PHE A1149 50.238 16.317 20.119 1.00 14.86 C ATOM 1063 CG PHE A1149 49.734 17.726 20.067 1.00 14.64 C ATOM 1064 CD1 PHE A1149 49.880 18.481 18.914 1.00 14.81 C ATOM 1065 CD2 PHE A1149 49.129 18.304 21.178 1.00 15.11 C ATOM 1066 CE1 PHE A1149 49.439 19.789 18.868 1.00 15.14 C ATOM 1067 CE2 PHE A1149 48.682 19.607 21.134 1.00 15.42 C ATOM 1068 CZ PHE A1149 48.827 20.345 19.975 1.00 15.36 C ATOM 1069 H PHE A1149 51.523 14.088 19.916 1.00 0.00 H ATOM 1070 N GLU A1150 52.099 16.062 22.640 1.00 16.79 N ATOM 1071 CA GLU A1150 52.490 16.574 23.962 1.00 18.48 C ATOM 1072 C GLU A1150 53.954 17.010 23.974 1.00 19.33 C ATOM 1073 O GLU A1150 54.298 18.041 24.559 1.00 20.11 O ATOM 1074 CB GLU A1150 52.243 15.527 25.052 1.00 20.24 C ATOM 1075 CG GLU A1150 50.777 15.304 25.392 1.00 20.91 C ATOM 1076 CD GLU A1150 50.581 14.208 26.430 1.00 23.11 C ATOM 1077 OE1 GLU A1150 51.363 13.227 26.449 1.00 24.15 O ATOM 1078 OE2 GLU A1150 49.640 14.325 27.240 1.00 24.71 O ATOM 1079 H GLU A1150 51.715 15.099 22.555 1.00 0.00 H ATOM 1080 N GLN A1151 54.804 16.234 23.310 1.00 20.27 N ATOM 1081 CA GLN A1151 56.226 16.560 23.226 1.00 21.96 C ATOM 1082 C GLN A1151 56.488 17.802 22.378 1.00 21.18 C ATOM 1083 O GLN A1151 57.314 18.638 22.741 1.00 22.68 O ATOM 1084 CB GLN A1151 57.026 15.363 22.690 1.00 23.86 C ATOM 1085 CG GLN A1151 57.215 14.238 23.698 1.00 26.28 C ATOM 1086 CD GLN A1151 57.781 14.724 25.021 1.00 28.45 C ATOM 1087 OE1 GLN A1151 57.167 14.549 26.073 1.00 29.41 O ATOM 1088 NE2 GLN A1151 58.936 15.372 24.968 1.00 30.15 N ATOM 1089 HE22 GLN A1151 59.421 15.497 24.056 1.00 0.00 H ATOM 1090 HE21 GLN A1151 59.357 15.756 25.838 1.00 0.00 H ATOM 1091 H GLN A1151 54.450 15.376 22.840 1.00 0.00 H ATOM 1092 N GLU A1152 55.788 17.940 21.261 1.00 19.76 N ATOM 1093 CA GLU A1152 56.087 19.017 20.325 1.00 19.67 C ATOM 1094 C GLU A1152 55.506 20.364 20.766 1.00 18.64 C ATOM 1095 O GLU A1152 56.107 21.406 20.538 1.00 18.67 O ATOM 1096 CB GLU A1152 55.567 18.682 18.925 1.00 20.10 C ATOM 1097 CG GLU A1152 56.189 17.447 18.297 1.00 22.06 C ATOM 1098 CD GLU A1152 57.666 17.582 17.996 1.00 24.62 C ATOM 1099 OE1 GLU A1152 58.358 16.553 18.060 1.00 27.19 O ATOM 1100 OE2 GLU A1152 58.145 18.690 17.684 1.00 25.54 O ATOM 1101 H GLU A1152 55.018 17.274 21.050 1.00 0.00 H ATOM 1102 N ILE A1153 54.330 20.339 21.373 1.00 17.77 N ATOM 1103 CA ILE A1153 53.576 21.572 21.592 1.00 17.56 C ATOM 1104 C ILE A1153 54.145 22.478 22.681 1.00 18.58 C ATOM 1105 O ILE A1153 54.016 23.696 22.601 1.00 18.46 O ATOM 1106 CB ILE A1153 52.083 21.258 21.866 1.00 17.38 C ATOM 1107 CG1 ILE A1153 51.209 22.521 21.782 1.00 17.73 C ATOM 1108 CG2 ILE A1153 51.892 20.578 23.218 1.00 18.13 C ATOM 1109 CD1 ILE A1153 51.261 23.268 20.463 1.00 17.79 C ATOM 1110 H ILE A1153 53.938 19.432 21.698 1.00 0.00 H ATOM 1111 N ASP A1154 54.784 21.900 23.694 1.00 19.78 N ATOM 1112 CA ASP A1154 55.193 22.694 24.850 1.00 21.44 C ATOM 1113 C ASP A1154 56.208 23.797 24.544 1.00 21.92 C ATOM 1114 O ASP A1154 55.967 24.950 24.908 1.00 22.55 O ATOM 1115 CB ASP A1154 55.665 21.800 25.995 1.00 23.44 C ATOM 1116 CG ASP A1154 54.545 21.443 26.924 1.00 24.25 C ATOM 1117 OD1 ASP A1154 53.464 22.052 26.789 1.00 23.88 O ATOM 1118 OD2 ASP A1154 54.735 20.558 27.787 1.00 26.17 O ATOM 1119 H ASP A1154 54.993 20.882 23.663 1.00 0.00 H ATOM 1120 N PRO A1155 57.319 23.474 23.848 1.00 22.25 N ATOM 1121 CA PRO A1155 58.234 24.579 23.522 1.00 23.11 C ATOM 1122 C PRO A1155 57.629 25.622 22.577 1.00 21.90 C ATOM 1123 O PRO A1155 58.028 26.778 22.604 1.00 22.70 O ATOM 1124 CB PRO A1155 59.428 23.876 22.855 1.00 24.37 C ATOM 1125 CG PRO A1155 59.279 22.440 23.178 1.00 24.62 C ATOM 1126 CD PRO A1155 57.828 22.193 23.327 1.00 22.49 C ATOM 1127 N VAL A1156 56.666 25.217 21.758 1.00 20.40 N ATOM 1128 CA VAL A1156 56.034 26.139 20.831 1.00 20.14 C ATOM 1129 C VAL A1156 55.158 27.136 21.582 1.00 20.45 C ATOM 1130 O VAL A1156 55.202 28.333 21.307 1.00 21.43 O ATOM 1131 CB VAL A1156 55.228 25.377 19.764 1.00 19.38 C ATOM 1132 CG1 VAL A1156 54.364 26.323 18.946 1.00 19.84 C ATOM 1133 CG2 VAL A1156 56.179 24.595 18.868 1.00 19.95 C ATOM 1134 H VAL A1156 56.359 24.224 21.781 1.00 0.00 H ATOM 1135 N MET A1157 54.374 26.637 22.528 1.00 20.23 N ATOM 1136 CA MET A1157 53.496 27.505 23.309 1.00 21.50 C ATOM 1137 C MET A1157 54.324 28.479 24.142 1.00 23.25 C ATOM 1138 O MET A1157 53.938 29.638 24.306 1.00 24.52 O ATOM 1139 CB MET A1157 52.550 26.674 24.180 1.00 21.86 C ATOM 1140 CG MET A1157 51.545 25.843 23.381 1.00 21.08 C ATOM 1141 SD MET A1157 50.478 26.769 22.259 1.00 22.08 S ATOM 1142 CE MET A1157 49.558 27.733 23.440 1.00 24.55 C ATOM 1143 H MET A1157 54.384 25.614 22.716 1.00 0.00 H ATOM 1144 N GLN A1158 55.470 28.026 24.639 1.00 23.81 N ATOM 1145 CA GLN A1158 56.358 28.898 25.408 1.00 26.16 C ATOM 1146 C GLN A1158 56.852 30.067 24.555 1.00 26.82 C ATOM 1147 O GLN A1158 56.856 31.211 25.006 1.00 28.21 O ATOM 1148 CB GLN A1158 57.547 28.103 25.960 1.00 27.21 C ATOM 1149 CG GLN A1158 58.608 28.946 26.649 1.00 29.76 C ATOM 1150 CD GLN A1158 58.108 29.611 27.918 1.00 31.79 C ATOM 1151 OE1 GLN A1158 57.391 29.001 28.709 1.00 32.33 O ATOM 1152 NE2 GLN A1158 58.493 30.866 28.124 1.00 33.43 N ATOM 1153 HE22 GLN A1158 59.100 31.345 27.428 1.00 0.00 H ATOM 1154 HE21 GLN A1158 58.187 31.370 28.981 1.00 0.00 H ATOM 1155 H GLN A1158 55.740 27.035 24.479 1.00 0.00 H ATOM 1156 N SER A1159 57.265 29.775 23.326 1.00 26.37 N ATOM 1157 CA SER A1159 57.753 30.816 22.420 1.00 27.61 C ATOM 1158 C SER A1159 56.672 31.831 22.048 1.00 27.88 C ATOM 1159 O SER A1159 56.959 33.011 21.902 1.00 29.66 O ATOM 1160 CB SER A1159 58.362 30.201 21.153 1.00 27.46 C ATOM 1161 OG SER A1159 57.413 29.431 20.430 1.00 26.73 O ATOM 1162 HG SER A1159 57.843 29.053 19.623 1.00 0.00 H ATOM 1163 H SER A1159 57.241 28.787 23.002 1.00 0.00 H ATOM 1164 N LEU A1160 55.438 31.370 21.887 1.00 27.36 N ATOM 1165 CA LEU A1160 54.332 32.268 21.546 1.00 28.61 C ATOM 1166 C LEU A1160 54.020 33.234 22.680 1.00 31.12 C ATOM 1167 O LEU A1160 53.698 34.396 22.426 1.00 33.34 O ATOM 1168 CB LEU A1160 53.094 31.470 21.137 1.00 27.80 C ATOM 1169 CG LEU A1160 53.177 30.961 19.696 1.00 27.10 C ATOM 1170 CD1 LEU A1160 52.106 29.916 19.429 1.00 26.46 C ATOM 1171 CD2 LEU A1160 53.050 32.107 18.700 1.00 28.91 C ATOM 1172 H LEU A1160 55.253 30.353 22.005 1.00 0.00 H ATOM 1173 N GLY A1161 54.142 32.757 23.919 1.00 31.95 N ATOM 1174 CA GLY A1161 54.017 33.607 25.103 1.00 34.81 C ATOM 1175 C GLY A1161 52.599 34.058 25.383 1.00 36.84 C ATOM 1176 O GLY A1161 52.394 35.101 26.006 1.00 39.85 O ATOM 1177 OXT GLY A1161 51.631 33.402 24.993 1.00 37.02 O ATOM 1178 H GLY A1161 54.333 31.743 24.049 1.00 0.00 H TER 1179 GLY A1161 HETATM 1180 O HOH 1 60.486 34.115 11.807 1.00 18.49 O HETATM 1181 O HOH 2 58.226 28.225 17.992 1.00 35.76 O HETATM 1182 O HOH 3 37.458 30.648 14.550 1.00 24.55 O HETATM 1183 O HOH 4 50.658 0.135 12.516 1.00 22.95 O HETATM 1184 O HOH 5 44.372 35.325 24.005 1.00 44.93 O HETATM 1185 O HOH 6 52.051 2.578 16.666 1.00 30.03 O HETATM 1186 O HOH 7 42.642 36.679 28.183 1.00 30.75 O HETATM 1187 O HOH 8 31.224 11.248 2.872 1.00 29.38 O HETATM 1188 O HOH 9 36.759 9.879 16.407 1.00 12.41 O HETATM 1189 O HOH 10 53.875 27.352 7.987 1.00 38.16 O HETATM 1190 O HOH 11 40.376 0.179 12.172 1.00 24.08 O HETATM 1191 O HOH 12 45.239 0.916 24.361 1.00 27.47 O HETATM 1192 O HOH 13 38.131 18.878 5.997 1.00 27.28 O HETATM 1193 O HOH 14 39.176 11.152 11.091 1.00 15.06 O HETATM 1194 O HOH 15 35.203 19.384 9.013 1.00 30.76 O HETATM 1195 O HOH 16 36.154 13.234 14.916 1.00 14.93 O HETATM 1196 O HOH 17 36.115 4.075 24.205 1.00 25.93 O HETATM 1197 O HOH 18 29.750 20.932 17.546 1.00 18.01 O HETATM 1198 O HOH 19 44.746 16.077 5.657 1.00 20.50 O HETATM 1199 O HOH 20 49.198 11.420 25.632 1.00 31.66 O HETATM 1200 O HOH 21 49.896 3.469 20.732 1.00 18.97 O HETATM 1201 O HOH 22 29.685 7.899 2.124 1.00 23.64 O HETATM 1202 O HOH 23 43.607 6.272 27.390 1.00 46.15 O HETATM 1203 O HOH 24 37.626 1.178 15.991 1.00 19.25 O HETATM 1204 O HOH 25 45.630 42.829 26.811 1.00 29.95 O HETATM 1205 O HOH 26 34.363 9.287 2.236 1.00 28.88 O HETATM 1206 O HOH 27 48.821 8.826 24.945 1.00 35.18 O HETATM 1207 O HOH 28 40.953 34.699 13.330 1.00 24.40 O HETATM 1208 O HOH 29 47.048 36.299 24.566 1.00 38.33 O HETATM 1209 O HOH 30 44.985 -4.211 18.718 1.00 34.41 O HETATM 1210 O HOH 31 40.193 6.856 27.376 1.00 34.24 O HETATM 1211 O HOH 32 33.117 19.984 15.426 1.00 23.42 O HETATM 1212 O HOH 33 42.961 20.917 4.813 1.00 21.67 O HETATM 1213 O HOH 34 39.180 20.367 23.354 1.00 21.10 O HETATM 1214 O HOH 35 36.089 26.219 11.078 1.00 19.97 O HETATM 1215 O HOH 36 36.280 23.812 16.790 1.00 21.99 O HETATM 1216 O HOH 37 23.557 7.830 4.459 1.00 32.04 O HETATM 1217 O HOH 38 39.056 25.675 19.223 1.00 20.82 O HETATM 1218 O HOH 39 46.921 30.747 11.190 1.00 17.72 O HETATM 1219 O HOH 40 49.613 30.794 26.936 1.00 32.91 O HETATM 1220 O HOH 41 39.543 12.455 13.515 1.00 14.31 O HETATM 1221 O HOH 42 36.895 26.124 7.325 1.00 27.04 O HETATM 1222 O HOH 43 44.768 31.355 12.699 1.00 20.40 O HETATM 1223 O HOH 44 52.127 4.621 21.947 1.00 34.86 O HETATM 1224 O HOH 45 58.330 21.624 18.878 1.00 28.66 O HETATM 1225 O HOH 46 38.558 9.094 8.581 1.00 14.89 O HETATM 1226 O HOH 47 44.478 37.657 18.248 1.00 20.75 O HETATM 1227 O HOH 48 44.993 35.271 14.151 1.00 20.77 O HETATM 1228 O HOH 49 31.150 -6.848 22.674 1.00 25.02 O HETATM 1229 O HOH 50 36.408 11.981 4.664 1.00 19.75 O HETATM 1230 O HOH 51 29.679 1.719 19.183 1.00 42.66 O HETATM 1231 O HOH 52 56.832 20.602 16.119 1.00 30.01 O HETATM 1232 O HOH 53 32.553 15.421 20.294 1.00 16.78 O HETATM 1233 O HOH 54 57.421 10.434 8.346 1.00 31.43 O HETATM 1234 O HOH 55 60.435 27.716 23.719 1.00 33.97 O HETATM 1235 O HOH 56 27.575 1.250 14.715 1.00 41.38 O HETATM 1236 O HOH 57 43.891 23.558 3.730 1.00 33.36 O HETATM 1237 O HOH 58 41.581 33.443 4.744 1.00 20.52 O HETATM 1238 O HOH 59 43.614 -3.865 13.550 1.00 43.51 O HETATM 1239 O HOH 60 37.953 17.981 23.912 1.00 25.28 O HETATM 1240 O HOH 61 38.679 11.805 15.982 1.00 12.66 O HETATM 1241 O HOH 62 57.857 19.248 13.480 1.00 28.73 O HETATM 1242 O HOH 63 35.137 14.250 22.741 1.00 23.93 O HETATM 1243 O HOH 64 33.149 13.249 10.957 1.00 14.97 O HETATM 1244 O HOH 65 55.386 3.479 14.345 1.00 37.24 O HETATM 1245 O HOH 66 57.290 27.133 10.348 1.00 21.70 O HETATM 1246 O HOH 67 28.742 10.663 23.724 1.00 28.24 O HETATM 1247 O HOH 68 55.487 8.163 4.984 1.00 32.64 O HETATM 1248 O HOH 69 30.551 13.889 21.811 1.00 23.66 O HETATM 1249 O HOH 70 36.215 16.182 11.232 1.00 17.01 O HETATM 1250 O HOH 71 35.766 24.356 13.595 1.00 33.95 O HETATM 1251 O HOH 72 36.517 0.081 18.309 1.00 17.83 O HETATM 1252 O HOH 73 40.020 31.924 22.848 1.00 28.85 O HETATM 1253 O HOH 74 46.459 3.306 23.756 1.00 20.28 O HETATM 1254 O HOH 75 36.894 -0.874 25.180 1.00 20.78 O HETATM 1255 O HOH 76 26.772 8.502 12.414 1.00 23.76 O HETATM 1256 O HOH 77 31.809 13.321 7.445 1.00 22.62 O HETATM 1257 O HOH 78 27.422 14.801 15.602 1.00 29.49 O HETATM 1258 O HOH 79 37.683 23.084 20.126 1.00 33.67 O HETATM 1259 O HOH 80 40.361 21.371 3.530 1.00 33.41 O HETATM 1260 O HOH 81 44.377 8.865 5.115 1.00 22.05 O HETATM 1261 O HOH 82 42.545 12.000 2.822 1.00 35.36 O HETATM 1262 O HOH 83 33.687 19.414 12.044 1.00 36.33 O HETATM 1263 O HOH 84 48.538 42.880 21.416 1.00 19.59 O HETATM 1264 O HOH 85 58.229 16.487 13.274 1.00 28.94 O HETATM 1265 O HOH 86 41.786 35.781 9.718 1.00 27.78 O HETATM 1266 O HOH 87 39.317 -3.951 19.704 1.00 35.55 O HETATM 1267 O HOH 88 55.562 32.710 14.682 1.00 25.83 O HETATM 1268 O HOH 89 54.456 12.971 25.466 1.00 30.22 O HETATM 1269 O HOH 90 51.797 38.858 10.108 1.00 39.30 O HETATM 1270 O HOH 91 45.510 6.632 26.083 1.00 45.33 O HETATM 1271 O HOH 92 52.542 10.161 4.524 1.00 23.92 O HETATM 1272 O HOH 93 42.250 40.399 28.266 1.00 36.38 O HETATM 1273 O HOH 94 38.508 26.915 21.551 1.00 30.51 O HETATM 1274 O HOH 95 38.455 35.188 19.890 1.00 37.19 O HETATM 1275 O HOH 96 26.711 4.073 8.724 1.00 29.41 O HETATM 1276 O HOH 97 29.140 -0.790 13.457 1.00 41.57 O HETATM 1277 O HOH 98 50.769 4.024 24.877 1.00 45.46 O HETATM 1278 O HOH 99 37.407 10.790 25.505 1.00 19.81 O HETATM 1279 O HOH 100 60.074 23.499 18.922 1.00 40.05 O HETATM 1280 O HOH 101 31.225 3.575 20.853 1.00 35.63 O HETATM 1281 O HOH 102 46.867 9.669 3.503 1.00 36.41 O HETATM 1282 O HOH 103 53.918 11.958 6.282 1.00 36.56 O HETATM 1283 O HOH 104 41.123 17.635 26.633 1.00 20.82 O HETATM 1284 O HOH 105 43.882 38.164 20.966 1.00 32.10 O HETATM 1285 O HOH 106 25.569 3.426 20.111 1.00 38.34 O HETATM 1286 O HOH 107 55.419 34.686 18.363 1.00 46.16 O HETATM 1287 O HOH 108 45.891 32.909 24.982 1.00 36.84 O HETATM 1288 O HOH 109 32.295 0.729 16.012 1.00 37.08 O HETATM 1289 O HOH 110 35.869 13.542 11.942 1.00 16.41 O HETATM 1290 O HOH 111 59.675 19.076 24.516 1.00 47.90 O HETATM 1291 O HOH 112 36.454 8.502 6.743 1.00 21.06 O HETATM 1292 O HOH 113 23.030 11.275 21.173 1.00 49.36 O HETATM 1293 O HOH 114 39.155 4.064 27.817 1.00 16.97 O HETATM 1294 O HOH 115 51.996 39.858 15.011 1.00 36.53 O HETATM 1295 O HOH 116 38.263 25.017 25.774 1.00 42.71 O HETATM 1296 O HOH 117 34.995 1.421 11.191 1.00 32.57 O HETATM 1297 O HOH 118 56.075 7.428 11.249 1.00 28.98 O HETATM 1298 O HOH 119 41.211 -2.454 15.465 1.00 27.57 O HETATM 1299 O HOH 120 58.422 27.957 13.559 1.00 34.13 O HETATM 1300 O HOH 121 48.331 29.661 4.272 1.00 31.57 O HETATM 1301 O HOH 122 38.290 27.296 17.121 1.00 27.04 O HETATM 1302 O HOH 123 47.635 31.770 7.863 1.00 27.20 O HETATM 1303 O HOH 124 33.731 1.176 18.670 1.00 37.50 O HETATM 1304 O HOH 125 33.980 2.388 23.004 1.00 34.39 O HETATM 1305 O HOH 126 35.016 1.456 27.582 1.00 25.95 O HETATM 1306 O HOH 127 55.395 30.541 30.566 1.00 35.26 O HETATM 1307 O HOH 128 40.243 0.499 14.969 1.00 14.49 O HETATM 1308 O HOH 129 33.398 21.292 20.455 1.00 39.45 O HETATM 1309 O HOH 130 45.157 39.555 14.560 1.00 38.33 O HETATM 1310 O HOH 131 59.659 26.244 19.873 1.00 41.75 O HETATM 1311 O HOH 132 38.102 -3.504 24.545 1.00 24.61 O HETATM 1312 O HOH 133 24.184 8.038 21.976 1.00 42.62 O HETATM 1313 O HOH 134 35.216 23.282 4.535 1.00 29.22 O HETATM 1314 O HOH 135 43.065 35.712 7.344 1.00 38.21 O HETATM 1315 O HOH 136 58.576 11.490 12.865 1.00 40.21 O HETATM 1316 O HOH 137 37.445 1.170 9.811 1.00 24.16 O HETATM 1317 O HOH 138 49.546 43.666 16.634 1.00 27.05 O HETATM 1318 O HOH 139 37.888 0.297 7.550 1.00 42.07 O HETATM 1319 O HOH 140 46.477 17.455 27.635 1.00 49.83 O HETATM 1320 O HOH 141 28.830 -4.472 20.808 1.00 41.06 O HETATM 1321 O HOH 142 33.195 -2.530 18.464 1.00 46.47 O HETATM 1322 O HOH 143 43.387 43.280 28.520 1.00 31.82 O HETATM 1323 O HOH 144 45.851 14.627 3.471 1.00 41.89 O HETATM 1324 O HOH 145 45.664 33.541 6.488 1.00 38.97 O HETATM 1325 O HOH 146 50.746 20.678 2.824 1.00 36.90 O HETATM 1326 O HOH 147 34.192 21.980 9.491 1.00 36.00 O HETATM 1327 O HOH 148 62.648 14.721 10.712 1.00 30.74 O HETATM 1328 O HOH 149 59.413 11.646 10.163 1.00 36.33 O HETATM 1329 O HOH 150 39.428 -6.687 24.459 1.00 42.21 O HETATM 1330 O HOH 151 32.379 -1.828 11.642 1.00 50.38 O HETATM 1331 O HOH 152 44.308 44.265 21.596 1.00 39.52 O HETATM 1332 O HOH 153 23.759 5.319 19.858 1.00 38.53 O HETATM 1333 O HOH 154 57.967 30.489 14.471 1.00 47.06 O HETATM 1334 O HOH 155 43.352 8.433 26.727 1.00 47.12 O HETATM 1335 O HOH 156 37.865 30.126 5.052 1.00 23.12 O HETATM 1336 O HOH 157 43.449 5.524 2.820 1.00 44.18 O HETATM 1337 O HOH 158 41.940 -2.306 11.643 1.00 41.05 O HETATM 1338 O HOH 159 35.812 16.560 24.119 1.00 32.83 O HETATM 1339 O HOH 160 56.787 10.621 20.885 1.00 53.14 O HETATM 1340 O HOH 161 35.172 26.818 16.767 1.00 34.40 O HETATM 1341 O HOH 162 32.480 17.429 22.373 1.00 34.15 O HETATM 1342 O HOH 163 36.874 21.635 22.333 1.00 40.12 O HETATM 1343 O HOH 164 39.081 7.363 3.729 1.00 39.15 O HETATM 1344 O HOH 165 35.123 13.029 25.234 1.00 33.80 O HETATM 1345 O HOH 166 56.183 12.243 29.178 1.00 49.29 O HETATM 1346 O HOH 167 24.646 1.370 15.637 1.00 41.89 O HETATM 1347 O HOH 168 25.716 9.046 10.196 1.00 27.76 O HETATM 1348 O HOH 169 43.678 30.688 1.941 1.00 51.58 O HETATM 1349 O HOH 170 42.847 36.784 13.805 1.00 29.23 O HETATM 1350 O HOH 171 36.593 9.199 3.926 1.00 22.58 O HETATM 1351 O HOH 172 31.891 15.253 9.898 1.00 22.34 O HETATM 1352 O HOH 173 49.587 31.683 2.402 1.00 32.77 O HETATM 1353 O HOH 174 25.233 6.373 8.722 1.00 33.05 O HETATM 1354 O HOH 175 46.257 27.755 1.522 1.00 42.73 O HETATM 1355 O HOH 176 49.355 22.577 25.382 1.00 36.52 O HETATM 1356 O HOH 177 52.270 28.312 28.149 1.00 35.17 O HETATM 1357 O HOH 178 26.038 1.648 7.699 1.00 36.67 O HETATM 1358 O HOH 179 33.852 17.233 9.939 1.00 28.21 O HETATM 1359 O HOH 180 34.076 22.207 16.936 1.00 35.53 O HETATM 1360 O HOH 181 27.773 15.736 13.215 1.00 34.07 O HETATM 1361 O HOH 182 37.312 -2.706 17.965 1.00 31.80 O HETATM 1362 O HOH 183 29.436 8.371 25.067 1.00 38.48 O HETATM 1363 O HOH 184 29.177 0.251 21.693 1.00 40.56 O HETATM 1364 O HOH 185 36.639 -0.377 14.001 1.00 27.89 O HETATM 1365 O1 UNN A 186 40.684 1.844 10.125 1.00 -0.33 O HETATM 1366 C18 UNN A 186 41.953 2.021 9.660 1.00 0.09 C HETATM 1367 C17 UNN A 186 42.317 3.052 8.762 1.00 0.02 C HETATM 1368 C11 UNN A 186 41.414 4.015 8.253 1.00 0.02 C HETATM 1369 C3 UNN A 186 39.922 3.988 8.537 1.00 0.06 C HETATM 1370 N13 UNN A 186 39.515 4.432 9.830 1.00 -0.28 N HETATM 1371 C1 UNN A 186 39.288 5.712 9.992 1.00 0.20 C HETATM 1372 C2 UNN A 186 38.828 6.247 11.283 1.00 0.12 C HETATM 1373 N3 UNN A 186 39.281 7.395 11.788 1.00 -0.27 N HETATM 1374 C4 UNN A 186 38.720 7.686 12.959 1.00 0.06 C HETATM 1375 C5 UNN A 186 37.759 6.599 13.268 1.00 0.03 C HETATM 1376 C6 UNN A 186 37.807 5.619 12.153 1.00 -0.03 C HETATM 1377 C7 UNN A 186 37.051 4.324 11.952 1.00 -0.03 C HETATM 1378 C8 UNN A 186 37.615 3.259 12.874 1.00 -0.06 C HETATM 1379 H5 UNN A 186 37.065 2.318 12.727 1.00 0.02 H HETATM 1380 H6 UNN A 186 37.510 3.586 13.919 1.00 0.02 H HETATM 1381 H7 UNN A 186 38.679 3.101 12.644 1.00 0.02 H HETATM 1382 H3 UNN A 186 35.987 4.481 12.182 1.00 0.04 H HETATM 1383 H4 UNN A 186 37.156 3.997 10.907 1.00 0.04 H HETATM 1384 C9 UNN A 186 36.919 6.609 14.496 1.00 0.10 C HETATM 1385 C10 UNN A 186 35.601 5.905 14.481 1.00 0.00 C HETATM 1386 H8 UNN A 186 35.117 6.012 15.463 1.00 0.04 H HETATM 1387 H9 UNN A 186 35.758 4.838 14.264 1.00 0.04 H HETATM 1388 H10 UNN A 186 34.958 6.346 13.705 1.00 0.04 H HETATM 1389 O16 UNN A 186 37.286 7.235 15.469 1.00 -0.40 O HETATM 1390 C12 UNN A 186 39.058 8.927 13.743 1.00 -0.00 C HETATM 1391 H12 UNN A 186 38.469 8.946 14.672 1.00 0.04 H HETATM 1392 H13 UNN A 186 38.822 9.817 13.141 1.00 0.04 H HETATM 1393 H14 UNN A 186 40.130 8.925 13.989 1.00 0.04 H HETATM 1394 H11 UNN A 186 39.984 7.988 11.325 1.00 0.23 H HETATM 1395 O15 UNN A 186 39.476 6.514 9.090 1.00 -0.40 O HETATM 1396 H15 UNN A 186 39.407 3.788 10.587 1.00 0.19 H HETATM 1397 H16 UNN A 186 39.577 2.951 8.415 1.00 0.07 H HETATM 1398 H17 UNN A 186 39.428 4.629 7.792 1.00 0.07 H HETATM 1399 C13 UNN A 186 41.880 4.997 7.374 1.00 0.09 C HETATM 1400 C14 UNN A 186 43.215 5.057 7.001 1.00 -0.04 C HETATM 1401 C15 UNN A 186 44.113 4.125 7.499 1.00 -0.07 C HETATM 1402 C16 UNN A 186 43.672 3.139 8.374 1.00 -0.04 C HETATM 1403 C21 UNN A 186 44.621 2.237 8.850 1.00 -0.08 C HETATM 1404 C20 UNN A 186 44.240 1.225 9.721 1.00 -0.08 C HETATM 1405 C19 UNN A 186 42.913 1.117 10.123 1.00 -0.04 C HETATM 1406 H20 UNN A 186 42.620 0.324 10.802 1.00 0.05 H HETATM 1407 H21 UNN A 186 44.977 0.519 10.088 1.00 0.06 H HETATM 1408 H2 UNN A 186 45.656 2.325 8.541 1.00 0.05 H HETATM 1409 H19 UNN A 186 45.156 4.165 7.207 1.00 0.05 H HETATM 1410 H18 UNN A 186 43.555 5.830 6.322 1.00 0.06 H HETATM 1411 O22 UNN A 186 41.030 5.937 6.867 1.00 -0.34 O HETATM 1412 H22 UNN A 186 40.154 5.782 7.200 1.00 0.24 H HETATM 1413 H1 UNN A 186 40.664 1.097 10.712 1.00 0.25 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1365 1366 1413 CONECT 1366 1365 1367 1405 CONECT 1367 1366 1368 1402 CONECT 1368 1367 1369 1399 CONECT 1369 1368 1370 1397 1398 CONECT 1370 1369 1371 1396 CONECT 1371 1370 1372 1395 CONECT 1372 1371 1373 1376 CONECT 1373 1372 1374 1394 CONECT 1374 1373 1375 1390 CONECT 1375 1374 1376 1384 CONECT 1376 1372 1375 1377 CONECT 1377 1376 1378 1382 1383 CONECT 1378 1377 1379 1380 1381 CONECT 1379 1378 CONECT 1380 1378 CONECT 1381 1378 CONECT 1382 1377 CONECT 1383 1377 CONECT 1384 1375 1385 1389 CONECT 1385 1384 1386 1387 1388 CONECT 1386 1385 CONECT 1387 1385 CONECT 1388 1385 CONECT 1389 1384 CONECT 1390 1374 1391 1392 1393 CONECT 1391 1390 CONECT 1392 1390 CONECT 1393 1390 CONECT 1394 1373 CONECT 1395 1371 CONECT 1396 1370 CONECT 1397 1369 CONECT 1398 1369 CONECT 1399 1368 1400 1411 CONECT 1400 1399 1401 1410 CONECT 1401 1400 1402 1409 CONECT 1402 1367 1401 1403 CONECT 1403 1402 1404 1408 CONECT 1404 1403 1405 1407 CONECT 1405 1366 1404 1406 CONECT 1406 1405 CONECT 1407 1404 CONECT 1408 1403 CONECT 1409 1401 CONECT 1410 1400 CONECT 1411 1399 1412 CONECT 1412 1411 CONECT 1413 1365 MASTER 0 0 0 0 0 0 0 0 1412 1 53 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5nu5
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
2l84
RCSB PDB
PDBbind
121aa, >2L84_1|Chain... at 96%
3p1d
RCSB PDB
PDBbind
119aa, >3P1D_1|Chains... at 98%
4tqn
RCSB PDB
PDBbind
119aa, >4TQN_1|Chain... at 98%
4yk0
RCSB PDB
PDBbind
114aa, >4YK0_1|Chains... at 100%
5dbm
RCSB PDB
PDBbind
118aa, >5DBM_1|Chains... at 98%
5eng
RCSB PDB
PDBbind
119aa, >5ENG_1|Chain... at 98%
5ep7
RCSB PDB
PDBbind
119aa, >5EP7_1|Chain... at 98%
5h85
RCSB PDB
PDBbind
119aa, >5H85_1|Chain... at 98%
5i83
RCSB PDB
PDBbind
118aa, >5I83_1|Chain... at 98%
5i86
RCSB PDB
PDBbind
118aa, >5I86_1|Chains... at 98%
5i89
RCSB PDB
PDBbind
118aa, >5I89_1|Chain... at 98%
5i8b
RCSB PDB
PDBbind
264aa, >5I8B_1|Chain... *
5i8g
RCSB PDB
PDBbind
264aa, >5I8G_1|Chain... at 100%
5j0d
RCSB PDB
PDBbind
119aa, >5J0D_1|Chain... at 98%
5ktu
RCSB PDB
PDBbind
118aa, >5KTU_1|Chains... at 98%
5ktw
RCSB PDB
PDBbind
114aa, >5KTW_1|Chains... at 97%
5ktx
RCSB PDB
PDBbind
114aa, >5KTX_1|Chain... at 97%
5lpj
RCSB PDB
PDBbind
119aa, >5LPJ_1|Chain... at 98%
5lpk
RCSB PDB
PDBbind
122aa, >5LPK_1|Chains... at 92%
5lpl
RCSB PDB
PDBbind
119aa, >5LPL_1|Chain... at 98%
5lpm
RCSB PDB
PDBbind
116aa, >5LPM_1|Chains... at 94%
5mme
RCSB PDB
PDBbind
119aa, >5MME_1|Chains... at 98%
5mmg
RCSB PDB
PDBbind
119aa, >5MMG_1|Chain... at 98%
5mpk
RCSB PDB
PDBbind
119aa, >5MPK_1|Chains... at 98%
5mpn
RCSB PDB
PDBbind
119aa, >5MPN_1|Chain... at 98%
5mpz
RCSB PDB
PDBbind
119aa, >5MPZ_1|Chain... at 98%
5mqe
RCSB PDB
PDBbind
119aa, >5MQE_1|Chains... at 98%
5nlk
RCSB PDB
PDBbind
119aa, >5NLK_1|Chain... at 98%
5nu3
RCSB PDB
PDBbind
119aa, >5NU3_1|Chain... at 98%
5tb6
RCSB PDB
PDBbind
119aa, >5TB6_1|Chain... at 98%
5w0e
RCSB PDB
PDBbind
148aa, >5W0E_1|Chain... at 100%
5w0f
RCSB PDB
PDBbind
148aa, >5W0F_1|Chain... at 100%
5w0i
RCSB PDB
PDBbind
148aa, >5W0I_1|Chain... at 100%
5w0l
RCSB PDB
PDBbind
148aa, >5W0L_1|Chains... at 100%
5w0q
RCSB PDB
PDBbind
148aa, >5W0Q_1|Chain... at 100%
6axq
RCSB PDB
PDBbind
114aa, >6AXQ_1|Chains... at 98%
6ay3
RCSB PDB
PDBbind
115aa, >6AY3_1|Chains... at 100%
6ay5
RCSB PDB
PDBbind
115aa, >6AY5_1|Chain... at 100%
6fqo
RCSB PDB
PDBbind
119aa, >6FQO_1|Chains... at 98%
6fqu
RCSB PDB
PDBbind
119aa, >6FQU_1|Chain... at 98%
6fr0
RCSB PDB
PDBbind
119aa, >6FR0_1|Chains... at 98%
6frf
RCSB PDB
PDBbind
119aa, >6FRF_1|Chains... at 98%
6alc
RCSB PDB
PDBbind
114aa, >6ALC_1|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5nu3
RCSB PDB
PDBbind
99E
Entry Information
PDB ID
5nu5
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histone acetyltransferase p300
Ligand Name
99E
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.47uM
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
1
H
2
2
N
2
O
4
Molecular Weight
366.410
Exact Mass
366.158
No. of atoms
49
No. of bonds
51
Polar Surface Area
102.42
LOGP Value
3.79 (
Computed with XLOGP3
)
3.97 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
CCc1c([nH]c(c1C(=O)C)C)C(=O)NCc1c(O)ccc2c1c(O)ccc2
InChI String
InChI=1S/C21H22N2O4/c1-4-14-18(12(3)24)11(2)23-20(14)21(27)22-10-15-16(25)9-8-13-6-5-7-17(26)19(13)15/h5-9,23,25-26H,4,10H2,1-3H3,(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):
Q09472
Entrez Gene ID
NCBI Entrez Gene ID:
2033
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com