Browse entries in the PDBbind-CN Database
HEADER 4Z88_COMPLEX COMPND 4Z88_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 65 ARG TYR PHE VAL ALA MET PHE ASP TYR ASP PRO SER THR SEQRES 2 A 65 MET SER PRO ASN PRO ASP GLY CYS ASP GLU GLU LEU PRO SEQRES 3 A 65 PHE GLN GLU GLY ASP THR ILE LYS VAL PHE GLY ASP LYS SEQRES 4 A 65 ASP ALA ASP GLY PHE TYR TRP GLY GLU LEU ARG GLY ARG SEQRES 5 A 65 ARG GLY TYR VAL PRO HIS ASN MET VAL SER GLU VAL GLU HET ARG A 73 212 ATOM 1 N ARG A1318 -11.150 10.267 -37.549 1.00 66.61 N ATOM 2 CA ARG A1318 -11.268 9.198 -38.583 1.00 65.36 C ATOM 3 C ARG A1318 -11.780 7.848 -37.961 1.00 63.90 C ATOM 4 O ARG A1318 -11.326 6.765 -38.360 1.00 63.02 O ATOM 5 CB ARG A1318 -9.887 8.868 -39.163 1.00 66.86 C ATOM 6 CG ARG A1318 -9.030 9.974 -39.814 1.00 68.43 C ATOM 7 CD ARG A1318 -7.853 10.103 -38.817 1.00 70.61 C ATOM 8 NE ARG A1318 -6.753 9.139 -38.955 1.00 70.88 N ATOM 9 CZ ARG A1318 -5.796 9.214 -39.875 1.00 71.30 C ATOM 10 NH1 ARG A1318 -5.801 10.192 -40.775 1.00 72.02 N ATOM 11 NH2 ARG A1318 -4.835 8.298 -39.901 1.00 70.69 N ATOM 12 HE ARG A1318 -6.721 8.343 -38.287 1.00 0.00 H ATOM 13 HH12 ARG A1318 -5.049 10.243 -41.491 1.00 0.00 H ATOM 14 HH11 ARG A1318 -6.557 10.906 -40.763 1.00 0.00 H ATOM 15 HH22 ARG A1318 -4.084 8.352 -40.619 1.00 0.00 H ATOM 16 HH21 ARG A1318 -4.833 7.526 -39.204 1.00 0.00 H ATOM 17 HN3 ARG A1318 -10.477 9.966 -36.816 1.00 0.00 H ATOM 18 HN2 ARG A1318 -12.081 10.435 -37.118 1.00 0.00 H ATOM 19 HN1 ARG A1318 -10.810 11.143 -37.995 1.00 0.00 H ATOM 20 N TYR A1319 -12.637 7.890 -36.940 1.00 64.23 N ATOM 21 CA TYR A1319 -13.108 6.669 -36.269 1.00 63.27 C ATOM 22 C TYR A1319 -14.563 6.376 -36.628 1.00 59.90 C ATOM 23 O TYR A1319 -15.395 7.285 -36.672 1.00 58.71 O ATOM 24 CB TYR A1319 -12.955 6.792 -34.740 1.00 65.74 C ATOM 25 CG TYR A1319 -11.521 6.616 -34.242 1.00 68.20 C ATOM 26 CD1 TYR A1319 -10.958 5.348 -34.094 1.00 69.03 C ATOM 27 CD2 TYR A1319 -10.724 7.724 -33.912 1.00 71.03 C ATOM 28 CE1 TYR A1319 -9.659 5.188 -33.636 1.00 70.81 C ATOM 29 CE2 TYR A1319 -9.422 7.572 -33.454 1.00 72.28 C ATOM 30 CZ TYR A1319 -8.900 6.300 -33.320 1.00 72.43 C ATOM 31 OH TYR A1319 -7.620 6.117 -32.866 1.00 73.81 O ATOM 32 HH TYR A1319 -7.418 5.148 -32.834 1.00 0.00 H ATOM 33 H TYR A1319 -12.982 8.813 -36.609 1.00 0.00 H ATOM 34 N PHE A1320 -14.844 5.099 -36.888 1.00 56.72 N ATOM 35 CA PHE A1320 -16.186 4.607 -37.178 1.00 54.80 C ATOM 36 C PHE A1320 -16.490 3.432 -36.259 1.00 53.51 C ATOM 37 O PHE A1320 -15.592 2.663 -35.926 1.00 52.48 O ATOM 38 CB PHE A1320 -16.275 4.130 -38.629 1.00 54.17 C ATOM 39 CG PHE A1320 -16.408 5.237 -39.628 1.00 54.19 C ATOM 40 CD1 PHE A1320 -15.309 6.015 -39.973 1.00 54.88 C ATOM 41 CD2 PHE A1320 -17.631 5.499 -40.234 1.00 54.18 C ATOM 42 CE1 PHE A1320 -15.426 7.031 -40.904 1.00 55.00 C ATOM 43 CE2 PHE A1320 -17.756 6.515 -41.162 1.00 54.04 C ATOM 44 CZ PHE A1320 -16.649 7.279 -41.503 1.00 55.24 C ATOM 45 H PHE A1320 -14.061 4.414 -36.884 1.00 0.00 H ATOM 46 N VAL A1321 -17.754 3.287 -35.871 1.00 51.63 N ATOM 47 CA VAL A1321 -18.179 2.182 -35.015 1.00 50.45 C ATOM 48 C VAL A1321 -19.059 1.230 -35.813 1.00 48.52 C ATOM 49 O VAL A1321 -19.990 1.662 -36.496 1.00 47.88 O ATOM 50 CB VAL A1321 -18.951 2.683 -33.778 1.00 51.37 C ATOM 51 CG1 VAL A1321 -19.406 1.517 -32.908 1.00 51.28 C ATOM 52 CG2 VAL A1321 -18.083 3.630 -32.966 1.00 52.31 C ATOM 53 H VAL A1321 -18.461 3.981 -36.187 1.00 0.00 H ATOM 54 N ALA A1322 -18.749 -0.062 -35.730 1.00 47.09 N ATOM 55 CA ALA A1322 -19.538 -1.092 -36.398 1.00 45.70 C ATOM 56 C ALA A1322 -20.887 -1.229 -35.709 1.00 45.06 C ATOM 57 O ALA A1322 -20.955 -1.397 -34.490 1.00 45.11 O ATOM 58 CB ALA A1322 -18.801 -2.424 -36.388 1.00 45.66 C ATOM 59 H ALA A1322 -17.919 -0.346 -35.172 1.00 0.00 H ATOM 60 N MET A1323 -21.953 -1.133 -36.497 1.00 43.12 N ATOM 61 CA MET A1323 -23.312 -1.279 -35.990 1.00 43.25 C ATOM 62 C MET A1323 -23.777 -2.731 -36.059 1.00 40.70 C ATOM 63 O MET A1323 -24.712 -3.109 -35.356 1.00 41.59 O ATOM 64 CB MET A1323 -24.262 -0.372 -36.775 1.00 44.07 C ATOM 65 CG MET A1323 -23.902 1.107 -36.701 1.00 45.46 C ATOM 66 SD MET A1323 -23.799 1.740 -35.009 1.00 48.32 S ATOM 67 CE MET A1323 -25.509 1.704 -34.483 1.00 48.76 C ATOM 68 H MET A1323 -21.813 -0.947 -37.511 1.00 0.00 H ATOM 69 N PHE A1324 -23.130 -3.529 -36.912 1.00 37.93 N ATOM 70 CA PHE A1324 -23.440 -4.955 -37.059 1.00 36.56 C ATOM 71 C PHE A1324 -22.162 -5.783 -37.148 1.00 35.33 C ATOM 72 O PHE A1324 -21.076 -5.246 -37.393 1.00 34.88 O ATOM 73 CB PHE A1324 -24.267 -5.197 -38.325 1.00 36.10 C ATOM 74 CG PHE A1324 -25.488 -4.333 -38.428 1.00 37.05 C ATOM 75 CD1 PHE A1324 -25.393 -3.012 -38.838 1.00 36.54 C ATOM 76 CD2 PHE A1324 -26.745 -4.850 -38.113 1.00 37.72 C ATOM 77 CE1 PHE A1324 -26.523 -2.216 -38.932 1.00 37.51 C ATOM 78 CE2 PHE A1324 -27.874 -4.060 -38.204 1.00 38.57 C ATOM 79 CZ PHE A1324 -27.765 -2.740 -38.614 1.00 38.34 C ATOM 80 H PHE A1324 -22.373 -3.122 -37.498 1.00 0.00 H ATOM 81 N ASP A1325 -22.301 -7.090 -36.941 1.00 34.25 N ATOM 82 CA ASP A1325 -21.223 -8.036 -37.227 1.00 33.24 C ATOM 83 C ASP A1325 -21.080 -8.157 -38.737 1.00 32.38 C ATOM 84 O ASP A1325 -22.075 -8.134 -39.459 1.00 31.70 O ATOM 85 CB ASP A1325 -21.533 -9.423 -36.654 1.00 33.62 C ATOM 86 CG ASP A1325 -21.627 -9.438 -35.144 1.00 33.99 C ATOM 87 OD1 ASP A1325 -20.961 -8.625 -34.476 1.00 33.66 O ATOM 88 OD2 ASP A1325 -22.361 -10.295 -34.613 1.00 34.89 O ATOM 89 H ASP A1325 -23.202 -7.449 -36.565 1.00 0.00 H ATOM 90 N TYR A1326 -19.842 -8.264 -39.217 1.00 31.26 N ATOM 91 CA TYR A1326 -19.596 -8.502 -40.635 1.00 30.64 C ATOM 92 C TYR A1326 -18.474 -9.525 -40.829 1.00 30.29 C ATOM 93 O TYR A1326 -17.317 -9.262 -40.502 1.00 30.05 O ATOM 94 CB TYR A1326 -19.260 -7.194 -41.362 1.00 30.58 C ATOM 95 CG TYR A1326 -19.210 -7.328 -42.868 1.00 30.50 C ATOM 96 CD1 TYR A1326 -20.272 -7.892 -43.572 1.00 32.25 C ATOM 97 CD2 TYR A1326 -18.105 -6.883 -43.597 1.00 30.76 C ATOM 98 CE1 TYR A1326 -20.234 -8.017 -44.956 1.00 32.06 C ATOM 99 CE2 TYR A1326 -18.057 -7.008 -44.977 1.00 31.31 C ATOM 100 CZ TYR A1326 -19.127 -7.574 -45.651 1.00 31.83 C ATOM 101 OH TYR A1326 -19.090 -7.700 -47.023 1.00 32.78 O ATOM 102 HH TYR A1326 -18.319 -8.265 -47.281 1.00 0.00 H ATOM 103 H TYR A1326 -19.034 -8.176 -38.568 1.00 0.00 H ATOM 104 N ASP A1327 -18.851 -10.687 -41.360 1.00 30.14 N ATOM 105 CA ASP A1327 -17.926 -11.755 -41.702 1.00 29.96 C ATOM 106 C ASP A1327 -17.910 -11.897 -43.225 1.00 29.84 C ATOM 107 O ASP A1327 -18.775 -12.563 -43.793 1.00 31.04 O ATOM 108 CB ASP A1327 -18.377 -13.048 -41.021 1.00 30.45 C ATOM 109 CG ASP A1327 -17.557 -14.258 -41.430 1.00 30.96 C ATOM 110 OD1 ASP A1327 -16.384 -14.099 -41.837 1.00 31.82 O ATOM 111 OD2 ASP A1327 -18.084 -15.385 -41.322 1.00 31.08 O ATOM 112 H ASP A1327 -19.864 -10.839 -41.540 1.00 0.00 H ATOM 113 N PRO A1328 -16.930 -11.265 -43.901 1.00 29.38 N ATOM 114 CA PRO A1328 -16.909 -11.279 -45.375 1.00 29.79 C ATOM 115 C PRO A1328 -16.889 -12.674 -46.004 1.00 30.19 C ATOM 116 O PRO A1328 -17.471 -12.865 -47.074 1.00 32.20 O ATOM 117 CB PRO A1328 -15.615 -10.531 -45.726 1.00 29.07 C ATOM 118 CG PRO A1328 -15.283 -9.737 -44.521 1.00 29.16 C ATOM 119 CD PRO A1328 -15.768 -10.545 -43.353 1.00 29.13 C ATOM 120 N SER A1329 -16.250 -13.637 -45.345 1.00 30.03 N ATOM 121 CA SER A1329 -16.173 -15.001 -45.864 1.00 30.56 C ATOM 122 C SER A1329 -17.555 -15.613 -46.112 1.00 31.05 C ATOM 123 O SER A1329 -17.755 -16.299 -47.113 1.00 31.73 O ATOM 124 CB SER A1329 -15.355 -15.896 -44.927 1.00 30.31 C ATOM 125 OG SER A1329 -15.835 -15.829 -43.597 1.00 30.09 O ATOM 126 HG SER A1329 -15.775 -14.896 -43.272 1.00 0.00 H ATOM 127 H SER A1329 -15.794 -13.413 -44.438 1.00 0.00 H ATOM 128 N THR A1330 -18.499 -15.350 -45.211 1.00 31.81 N ATOM 129 CA THR A1330 -19.878 -15.852 -45.348 1.00 33.35 C ATOM 130 C THR A1330 -20.905 -14.797 -45.780 1.00 33.56 C ATOM 131 O THR A1330 -21.992 -15.157 -46.233 1.00 35.63 O ATOM 132 CB THR A1330 -20.376 -16.464 -44.023 1.00 33.88 C ATOM 133 OG1 THR A1330 -20.332 -15.476 -42.987 1.00 32.83 O ATOM 134 CG2 THR A1330 -19.523 -17.665 -43.623 1.00 34.19 C ATOM 135 HG1 THR A1330 -19.401 -15.160 -42.873 1.00 0.00 H ATOM 136 H THR A1330 -18.255 -14.771 -44.382 1.00 0.00 H ATOM 137 N MET A1331 -20.580 -13.510 -45.630 1.00 32.92 N ATOM 138 CA MET A1331 -21.556 -12.427 -45.848 1.00 32.82 C ATOM 139 C MET A1331 -21.274 -11.510 -47.053 1.00 32.80 C ATOM 140 O MET A1331 -22.175 -10.814 -47.514 1.00 32.42 O ATOM 141 CB MET A1331 -21.673 -11.569 -44.584 1.00 31.85 C ATOM 142 CG MET A1331 -22.164 -12.330 -43.359 1.00 31.75 C ATOM 143 SD MET A1331 -22.133 -11.361 -41.841 1.00 30.37 S ATOM 144 CE MET A1331 -23.273 -10.041 -42.246 1.00 31.27 C ATOM 145 H MET A1331 -19.609 -13.265 -45.351 1.00 0.00 H ATOM 146 N SER A1332 -20.043 -11.491 -47.560 1.00 32.66 N ATOM 147 CA SER A1332 -19.713 -10.604 -48.677 1.00 33.45 C ATOM 148 C SER A1332 -20.354 -11.078 -49.977 1.00 34.78 C ATOM 149 O SER A1332 -20.325 -12.272 -50.279 1.00 35.44 O ATOM 150 CB SER A1332 -18.204 -10.506 -48.891 1.00 33.31 C ATOM 151 OG SER A1332 -17.920 -9.724 -50.043 1.00 34.40 O ATOM 152 HG SER A1332 -16.940 -9.669 -50.170 1.00 0.00 H ATOM 153 H SER A1332 -19.310 -12.111 -47.159 1.00 0.00 H ATOM 154 N PRO A1333 -20.928 -10.140 -50.756 1.00 35.47 N ATOM 155 CA PRO A1333 -21.458 -10.434 -52.086 1.00 37.17 C ATOM 156 C PRO A1333 -20.384 -10.418 -53.171 1.00 37.51 C ATOM 157 O PRO A1333 -20.682 -10.683 -54.336 1.00 38.48 O ATOM 158 CB PRO A1333 -22.455 -9.290 -52.320 1.00 37.79 C ATOM 159 CG PRO A1333 -21.887 -8.152 -51.555 1.00 36.67 C ATOM 160 CD PRO A1333 -21.194 -8.742 -50.359 1.00 35.17 C ATOM 161 N ASN A1334 -19.151 -10.099 -52.782 1.00 36.94 N ATOM 162 CA ASN A1334 -18.031 -9.974 -53.701 1.00 37.43 C ATOM 163 C ASN A1334 -17.153 -11.220 -53.642 1.00 37.54 C ATOM 164 O ASN A1334 -16.914 -11.747 -52.555 1.00 35.89 O ATOM 165 CB ASN A1334 -17.223 -8.741 -53.317 1.00 36.91 C ATOM 166 CG ASN A1334 -18.065 -7.478 -53.314 1.00 37.43 C ATOM 167 OD1 ASN A1334 -18.584 -7.054 -54.349 1.00 37.87 O ATOM 168 ND2 ASN A1334 -18.218 -6.879 -52.141 1.00 36.90 N ATOM 169 HD22 ASN A1334 -17.762 -7.272 -51.293 1.00 0.00 H ATOM 170 HD21 ASN A1334 -18.794 -6.016 -52.069 1.00 0.00 H ATOM 171 H ASN A1334 -18.980 -9.931 -51.770 1.00 0.00 H ATOM 172 N PRO A1335 -16.670 -11.696 -54.807 1.00 39.24 N ATOM 173 CA PRO A1335 -15.865 -12.929 -54.874 1.00 40.45 C ATOM 174 C PRO A1335 -14.500 -12.819 -54.181 1.00 40.65 C ATOM 175 O PRO A1335 -13.962 -13.829 -53.726 1.00 40.98 O ATOM 176 CB PRO A1335 -15.689 -13.156 -56.382 1.00 41.97 C ATOM 177 CG PRO A1335 -15.875 -11.817 -57.000 1.00 41.88 C ATOM 178 CD PRO A1335 -16.876 -11.104 -56.142 1.00 40.91 C ATOM 179 N ASP A1336 -13.960 -11.604 -54.111 1.00 40.67 N ATOM 180 CA ASP A1336 -12.692 -11.341 -53.428 1.00 40.92 C ATOM 181 C ASP A1336 -12.910 -10.749 -52.024 1.00 39.61 C ATOM 182 O ASP A1336 -11.991 -10.179 -51.444 1.00 39.14 O ATOM 183 CB ASP A1336 -11.838 -10.389 -54.268 1.00 42.14 C ATOM 184 CG ASP A1336 -12.451 -9.001 -54.389 1.00 42.41 C ATOM 185 OD1 ASP A1336 -13.692 -8.875 -54.296 1.00 43.28 O ATOM 186 OD2 ASP A1336 -11.688 -8.031 -54.572 1.00 43.45 O ATOM 187 H ASP A1336 -14.459 -10.810 -54.560 1.00 0.00 H ATOM 188 N GLY A1337 -14.123 -10.901 -51.486 1.00 38.78 N ATOM 189 CA GLY A1337 -14.518 -10.247 -50.241 1.00 37.24 C ATOM 190 C GLY A1337 -13.664 -10.607 -49.040 1.00 36.62 C ATOM 191 O GLY A1337 -13.225 -9.730 -48.299 1.00 35.86 O ATOM 192 H GLY A1337 -14.813 -11.508 -51.972 1.00 0.00 H ATOM 193 N CYS A1338 -13.415 -11.900 -48.861 1.00 36.43 N ATOM 194 CA CYS A1338 -12.595 -12.380 -47.760 1.00 36.96 C ATOM 195 C CYS A1338 -11.206 -11.724 -47.752 1.00 36.68 C ATOM 196 O CYS A1338 -10.759 -11.215 -46.723 1.00 35.69 O ATOM 197 CB CYS A1338 -12.445 -13.898 -47.841 1.00 37.90 C ATOM 198 SG CYS A1338 -11.686 -14.628 -46.390 1.00 39.49 S ATOM 199 H CYS A1338 -13.818 -12.589 -49.528 1.00 0.00 H ATOM 200 N ASP A1339 -10.544 -11.732 -48.904 1.00 37.53 N ATOM 201 CA ASP A1339 -9.178 -11.215 -49.020 1.00 39.07 C ATOM 202 C ASP A1339 -9.070 -9.688 -48.943 1.00 38.75 C ATOM 203 O ASP A1339 -8.023 -9.168 -48.557 1.00 40.91 O ATOM 204 CB ASP A1339 -8.532 -11.704 -50.323 1.00 40.88 C ATOM 205 CG ASP A1339 -8.249 -13.195 -50.312 1.00 41.90 C ATOM 206 OD1 ASP A1339 -7.549 -13.671 -49.396 1.00 43.12 O ATOM 207 OD2 ASP A1339 -8.724 -13.894 -51.226 1.00 43.31 O ATOM 208 H ASP A1339 -11.010 -12.117 -49.750 1.00 0.00 H ATOM 209 N GLU A1340 -10.122 -8.968 -49.320 1.00 37.57 N ATOM 210 CA GLU A1340 -10.033 -7.503 -49.457 1.00 37.54 C ATOM 211 C GLU A1340 -10.828 -6.701 -48.429 1.00 35.66 C ATOM 212 O GLU A1340 -10.550 -5.518 -48.219 1.00 37.00 O ATOM 213 CB GLU A1340 -10.455 -7.088 -50.869 1.00 38.45 C ATOM 214 CG GLU A1340 -9.588 -7.672 -51.978 1.00 40.12 C ATOM 215 CD GLU A1340 -8.166 -7.138 -51.976 1.00 42.20 C ATOM 216 OE1 GLU A1340 -7.970 -5.931 -51.697 1.00 43.03 O ATOM 217 OE2 GLU A1340 -7.242 -7.925 -52.276 1.00 42.34 O ATOM 218 H GLU A1340 -11.023 -9.446 -49.522 1.00 0.00 H ATOM 219 N GLU A1341 -11.819 -7.319 -47.802 1.00 34.34 N ATOM 220 CA GLU A1341 -12.717 -6.595 -46.899 1.00 32.94 C ATOM 221 C GLU A1341 -12.426 -6.980 -45.459 1.00 31.71 C ATOM 222 O GLU A1341 -12.164 -8.145 -45.165 1.00 31.94 O ATOM 223 CB GLU A1341 -14.182 -6.893 -47.237 1.00 32.54 C ATOM 224 CG GLU A1341 -14.560 -6.612 -48.685 1.00 33.52 C ATOM 225 CD GLU A1341 -15.939 -7.142 -49.057 1.00 32.65 C ATOM 226 OE1 GLU A1341 -16.714 -7.518 -48.153 1.00 32.24 O ATOM 227 OE2 GLU A1341 -16.245 -7.184 -50.267 1.00 33.31 O ATOM 228 H GLU A1341 -11.962 -8.338 -47.954 1.00 0.00 H ATOM 229 N LEU A1342 -12.514 -5.997 -44.573 1.00 30.88 N ATOM 230 CA LEU A1342 -12.269 -6.206 -43.152 1.00 31.15 C ATOM 231 C LEU A1342 -13.404 -6.939 -42.450 1.00 30.40 C ATOM 232 O LEU A1342 -14.579 -6.569 -42.611 1.00 30.01 O ATOM 233 CB LEU A1342 -12.054 -4.868 -42.435 1.00 31.73 C ATOM 234 CG LEU A1342 -10.664 -4.242 -42.486 1.00 32.22 C ATOM 235 CD1 LEU A1342 -10.670 -2.934 -41.718 1.00 32.22 C ATOM 236 CD2 LEU A1342 -9.616 -5.186 -41.913 1.00 33.69 C ATOM 237 H LEU A1342 -12.767 -5.044 -44.904 1.00 0.00 H ATOM 238 N PRO A1343 -13.063 -7.976 -41.664 1.00 30.43 N ATOM 239 CA PRO A1343 -14.044 -8.556 -40.761 1.00 30.52 C ATOM 240 C PRO A1343 -14.114 -7.746 -39.474 1.00 31.23 C ATOM 241 O PRO A1343 -13.085 -7.277 -38.980 1.00 32.05 O ATOM 242 CB PRO A1343 -13.488 -9.955 -40.491 1.00 30.57 C ATOM 243 CG PRO A1343 -12.009 -9.790 -40.604 1.00 31.72 C ATOM 244 CD PRO A1343 -11.759 -8.660 -41.570 1.00 31.43 C ATOM 245 N PHE A1344 -15.319 -7.578 -38.942 1.00 31.21 N ATOM 246 CA PHE A1344 -15.510 -6.909 -37.666 1.00 31.88 C ATOM 247 C PHE A1344 -16.781 -7.405 -36.988 1.00 33.43 C ATOM 248 O PHE A1344 -17.655 -7.977 -37.634 1.00 33.50 O ATOM 249 CB PHE A1344 -15.550 -5.380 -37.849 1.00 31.55 C ATOM 250 CG PHE A1344 -16.510 -4.906 -38.921 1.00 30.65 C ATOM 251 CD1 PHE A1344 -17.868 -4.766 -38.650 1.00 30.63 C ATOM 252 CD2 PHE A1344 -16.044 -4.566 -40.186 1.00 30.07 C ATOM 253 CE1 PHE A1344 -18.746 -4.320 -39.630 1.00 30.16 C ATOM 254 CE2 PHE A1344 -16.915 -4.124 -41.169 1.00 30.52 C ATOM 255 CZ PHE A1344 -18.272 -4.000 -40.890 1.00 29.93 C ATOM 256 H PHE A1344 -16.151 -7.936 -39.454 1.00 0.00 H ATOM 257 N GLN A1345 -16.868 -7.181 -35.680 1.00 36.43 N ATOM 258 CA GLN A1345 -18.094 -7.452 -34.926 1.00 38.47 C ATOM 259 C GLN A1345 -18.663 -6.124 -34.438 1.00 38.86 C ATOM 260 O GLN A1345 -17.959 -5.098 -34.404 1.00 38.34 O ATOM 261 CB GLN A1345 -17.884 -8.467 -33.775 1.00 40.24 C ATOM 262 CG GLN A1345 -16.693 -8.179 -32.877 1.00 41.40 C ATOM 263 CD GLN A1345 -16.359 -9.332 -31.963 1.00 42.85 C ATOM 264 OE1 GLN A1345 -15.210 -9.808 -31.913 1.00 44.08 O ATOM 265 NE2 GLN A1345 -17.356 -9.810 -31.247 1.00 43.51 N ATOM 266 HE22 GLN A1345 -18.301 -9.381 -31.320 1.00 0.00 H ATOM 267 HE21 GLN A1345 -17.198 -10.616 -30.609 1.00 0.00 H ATOM 268 H GLN A1345 -16.040 -6.802 -35.177 1.00 0.00 H ATOM 269 N GLU A1346 -19.950 -6.139 -34.107 1.00 39.34 N ATOM 270 CA GLU A1346 -20.642 -4.951 -33.616 1.00 40.09 C ATOM 271 C GLU A1346 -19.870 -4.320 -32.450 1.00 41.29 C ATOM 272 O GLU A1346 -19.367 -5.024 -31.574 1.00 42.01 O ATOM 273 CB GLU A1346 -22.082 -5.291 -33.200 1.00 40.70 C ATOM 274 CG GLU A1346 -22.202 -6.217 -31.997 1.00 41.66 C ATOM 275 CD GLU A1346 -23.634 -6.441 -31.551 1.00 42.51 C ATOM 276 OE1 GLU A1346 -24.576 -6.091 -32.299 1.00 43.48 O ATOM 277 OE2 GLU A1346 -23.818 -6.969 -30.436 1.00 43.12 O ATOM 278 H GLU A1346 -20.482 -7.027 -34.201 1.00 0.00 H ATOM 279 N GLY A1347 -19.757 -2.995 -32.467 1.00 41.31 N ATOM 280 CA GLY A1347 -19.058 -2.270 -31.412 1.00 42.59 C ATOM 281 C GLY A1347 -17.562 -2.101 -31.636 1.00 43.43 C ATOM 282 O GLY A1347 -16.917 -1.355 -30.898 1.00 45.09 O ATOM 283 H GLY A1347 -20.178 -2.461 -33.254 1.00 0.00 H ATOM 284 N ASP A1348 -16.997 -2.786 -32.632 1.00 42.31 N ATOM 285 CA ASP A1348 -15.597 -2.564 -33.004 1.00 42.19 C ATOM 286 C ASP A1348 -15.426 -1.138 -33.506 1.00 42.73 C ATOM 287 O ASP A1348 -16.322 -0.596 -34.161 1.00 42.79 O ATOM 288 CB ASP A1348 -15.136 -3.539 -34.097 1.00 41.12 C ATOM 289 CG ASP A1348 -14.785 -4.919 -33.561 1.00 40.92 C ATOM 290 OD1 ASP A1348 -14.597 -5.083 -32.339 1.00 42.40 O ATOM 291 OD2 ASP A1348 -14.679 -5.855 -34.378 1.00 39.53 O ATOM 292 H ASP A1348 -17.559 -3.489 -33.153 1.00 0.00 H ATOM 293 N THR A1349 -14.285 -0.535 -33.183 1.00 44.08 N ATOM 294 CA THR A1349 -13.956 0.811 -33.636 1.00 45.18 C ATOM 295 C THR A1349 -12.908 0.708 -34.732 1.00 45.95 C ATOM 296 O THR A1349 -11.862 0.087 -34.544 1.00 45.60 O ATOM 297 CB THR A1349 -13.433 1.697 -32.492 1.00 46.86 C ATOM 298 OG1 THR A1349 -12.365 1.025 -31.809 1.00 48.81 O ATOM 299 CG2 THR A1349 -14.543 1.997 -31.504 1.00 47.02 C ATOM 300 HG1 THR A1349 -11.630 0.843 -32.447 1.00 0.00 H ATOM 301 H THR A1349 -13.602 -1.043 -32.585 1.00 0.00 H ATOM 302 N ILE A1350 -13.202 1.316 -35.880 1.00 46.99 N ATOM 303 CA ILE A1350 -12.376 1.163 -37.076 1.00 48.18 C ATOM 304 C ILE A1350 -11.746 2.494 -37.469 1.00 50.12 C ATOM 305 O ILE A1350 -12.407 3.531 -37.450 1.00 50.09 O ATOM 306 CB ILE A1350 -13.210 0.614 -38.248 1.00 47.56 C ATOM 307 CG1 ILE A1350 -13.731 -0.787 -37.911 1.00 47.20 C ATOM 308 CG2 ILE A1350 -12.389 0.573 -39.533 1.00 47.70 C ATOM 309 CD1 ILE A1350 -14.888 -1.236 -38.778 1.00 46.81 C ATOM 310 H ILE A1350 -14.048 1.920 -35.927 1.00 0.00 H ATOM 311 N LYS A1351 -10.464 2.443 -37.828 1.00 52.41 N ATOM 312 CA LYS A1351 -9.719 3.625 -38.256 1.00 54.57 C ATOM 313 C LYS A1351 -9.906 3.788 -39.759 1.00 53.86 C ATOM 314 O LYS A1351 -9.524 2.909 -40.525 1.00 53.38 O ATOM 315 CB LYS A1351 -8.223 3.470 -37.920 1.00 56.51 C ATOM 316 CG LYS A1351 -7.665 4.560 -37.023 1.00 58.77 C ATOM 317 CD LYS A1351 -6.453 4.094 -36.224 1.00 60.37 C ATOM 318 CE LYS A1351 -5.272 3.720 -37.102 1.00 61.28 C ATOM 319 NZ LYS A1351 -3.973 3.975 -36.420 1.00 63.56 N ATOM 320 HZ1 LYS A1351 -3.899 4.985 -36.185 1.00 0.00 H ATOM 321 HZ2 LYS A1351 -3.924 3.410 -35.548 1.00 0.00 H ATOM 322 HZ3 LYS A1351 -3.192 3.707 -37.052 1.00 0.00 H ATOM 323 H LYS A1351 -9.974 1.526 -37.803 1.00 0.00 H ATOM 324 N VAL A1352 -10.514 4.896 -40.178 1.00 54.88 N ATOM 325 CA VAL A1352 -10.742 5.167 -41.599 1.00 55.01 C ATOM 326 C VAL A1352 -9.801 6.263 -42.107 1.00 57.43 C ATOM 327 O VAL A1352 -9.582 7.271 -41.430 1.00 57.73 O ATOM 328 CB VAL A1352 -12.220 5.539 -41.858 1.00 53.83 C ATOM 329 CG1 VAL A1352 -12.419 6.119 -43.253 1.00 53.60 C ATOM 330 CG2 VAL A1352 -13.103 4.311 -41.670 1.00 52.49 C ATOM 331 H VAL A1352 -10.837 5.590 -39.474 1.00 0.00 H ATOM 332 N PHE A1353 -9.262 6.049 -43.307 1.00 58.42 N ATOM 333 CA PHE A1353 -8.374 7.004 -43.968 1.00 61.62 C ATOM 334 C PHE A1353 -9.040 7.509 -45.244 1.00 62.21 C ATOM 335 O PHE A1353 -9.503 6.716 -46.062 1.00 60.96 O ATOM 336 CB PHE A1353 -7.041 6.341 -44.320 1.00 62.61 C ATOM 337 CG PHE A1353 -6.482 5.484 -43.222 1.00 63.82 C ATOM 338 CD1 PHE A1353 -5.921 6.060 -42.089 1.00 65.31 C ATOM 339 CD2 PHE A1353 -6.513 4.100 -43.319 1.00 63.43 C ATOM 340 CE1 PHE A1353 -5.407 5.269 -41.075 1.00 65.77 C ATOM 341 CE2 PHE A1353 -5.999 3.306 -42.308 1.00 63.59 C ATOM 342 CZ PHE A1353 -5.448 3.890 -41.186 1.00 64.73 C ATOM 343 H PHE A1353 -9.484 5.159 -43.797 1.00 0.00 H ATOM 344 N GLY A1354 -9.087 8.827 -45.412 1.00 64.48 N ATOM 345 CA GLY A1354 -9.732 9.429 -46.576 1.00 65.25 C ATOM 346 C GLY A1354 -11.241 9.285 -46.520 1.00 64.88 C ATOM 347 O GLY A1354 -11.820 9.145 -45.440 1.00 64.90 O ATOM 348 H GLY A1354 -8.654 9.445 -44.697 1.00 0.00 H ATOM 349 N ASP A1355 -11.874 9.302 -47.689 1.00 64.49 N ATOM 350 CA ASP A1355 -13.328 9.284 -47.785 1.00 63.88 C ATOM 351 C ASP A1355 -13.827 8.031 -48.469 1.00 61.16 C ATOM 352 O ASP A1355 -13.052 7.269 -49.042 1.00 62.24 O ATOM 353 CB ASP A1355 -13.816 10.512 -48.548 1.00 65.89 C ATOM 354 CG ASP A1355 -13.506 11.807 -47.826 1.00 67.65 C ATOM 355 OD1 ASP A1355 -13.278 11.776 -46.599 1.00 69.29 O ATOM 356 OD2 ASP A1355 -13.495 12.863 -48.487 1.00 71.32 O ATOM 357 H ASP A1355 -11.313 9.329 -48.564 1.00 0.00 H ATOM 358 N LYS A1356 -15.137 7.832 -48.405 1.00 58.99 N ATOM 359 CA LYS A1356 -15.768 6.650 -48.975 1.00 57.09 C ATOM 360 C LYS A1356 -15.762 6.732 -50.504 1.00 55.60 C ATOM 361 O LYS A1356 -15.972 7.796 -51.078 1.00 56.96 O ATOM 362 CB LYS A1356 -17.158 6.449 -48.347 1.00 56.97 C ATOM 363 CG LYS A1356 -18.355 6.445 -49.276 1.00 57.68 C ATOM 364 CD LYS A1356 -19.635 6.263 -48.481 1.00 57.69 C ATOM 365 CE LYS A1356 -20.114 7.562 -47.862 1.00 58.73 C ATOM 366 NZ LYS A1356 -21.361 7.350 -47.076 1.00 58.57 N ATOM 367 HZ1 LYS A1356 -22.106 6.983 -47.702 1.00 0.00 H ATOM 368 HZ2 LYS A1356 -21.178 6.665 -46.315 1.00 0.00 H ATOM 369 HZ3 LYS A1356 -21.667 8.254 -46.663 1.00 0.00 H ATOM 370 H LYS A1356 -15.732 8.542 -47.933 1.00 0.00 H ATOM 371 N ASP A1357 -15.471 5.606 -51.152 1.00 52.97 N ATOM 372 CA ASP A1357 -15.310 5.563 -52.608 1.00 52.69 C ATOM 373 C ASP A1357 -16.678 5.505 -53.293 1.00 52.48 C ATOM 374 O ASP A1357 -17.694 5.436 -52.631 1.00 51.68 O ATOM 375 CB ASP A1357 -14.386 4.394 -53.032 1.00 52.04 C ATOM 376 CG ASP A1357 -14.941 3.018 -52.667 1.00 50.31 C ATOM 377 OD1 ASP A1357 -16.157 2.896 -52.423 1.00 49.24 O ATOM 378 OD2 ASP A1357 -14.150 2.049 -52.617 1.00 49.39 O ATOM 379 H ASP A1357 -15.354 4.728 -50.607 1.00 0.00 H ATOM 380 N ALA A1358 -16.662 5.499 -54.626 1.00 52.59 N ATOM 381 CA ALA A1358 -17.881 5.430 -55.428 1.00 51.89 C ATOM 382 C ALA A1358 -18.724 4.186 -55.146 1.00 50.14 C ATOM 383 O ALA A1358 -19.950 4.220 -55.279 1.00 50.07 O ATOM 384 CB ALA A1358 -17.534 5.491 -56.905 1.00 53.69 C ATOM 385 H ALA A1358 -15.745 5.545 -55.114 1.00 0.00 H ATOM 386 N ASP A1359 -18.066 3.091 -54.772 1.00 47.10 N ATOM 387 CA ASP A1359 -18.759 1.841 -54.450 1.00 45.25 C ATOM 388 C ASP A1359 -19.436 1.868 -53.077 1.00 43.40 C ATOM 389 O ASP A1359 -20.255 1.000 -52.776 1.00 43.69 O ATOM 390 CB ASP A1359 -17.782 0.664 -54.519 1.00 44.74 C ATOM 391 CG ASP A1359 -17.206 0.465 -55.908 1.00 45.93 C ATOM 392 OD1 ASP A1359 -17.413 1.336 -56.776 1.00 46.50 O ATOM 393 OD2 ASP A1359 -16.547 -0.566 -56.135 1.00 47.48 O ATOM 394 H ASP A1359 -17.029 3.124 -54.706 1.00 0.00 H ATOM 395 N GLY A1360 -19.097 2.861 -52.256 1.00 42.23 N ATOM 396 CA GLY A1360 -19.670 3.010 -50.920 1.00 41.69 C ATOM 397 C GLY A1360 -18.827 2.382 -49.822 1.00 40.88 C ATOM 398 O GLY A1360 -19.339 2.082 -48.743 1.00 39.83 O ATOM 399 H GLY A1360 -18.396 3.558 -52.579 1.00 0.00 H ATOM 400 N PHE A1361 -17.535 2.183 -50.095 1.00 40.72 N ATOM 401 CA PHE A1361 -16.620 1.532 -49.158 1.00 39.84 C ATOM 402 C PHE A1361 -15.560 2.492 -48.632 1.00 40.80 C ATOM 403 O PHE A1361 -14.960 3.251 -49.401 1.00 41.63 O ATOM 404 CB PHE A1361 -15.932 0.338 -49.829 1.00 39.85 C ATOM 405 CG PHE A1361 -16.811 -0.873 -49.951 1.00 39.37 C ATOM 406 CD1 PHE A1361 -17.760 -0.956 -50.960 1.00 39.42 C ATOM 407 CD2 PHE A1361 -16.696 -1.926 -49.057 1.00 38.03 C ATOM 408 CE1 PHE A1361 -18.573 -2.069 -51.076 1.00 39.88 C ATOM 409 CE2 PHE A1361 -17.505 -3.042 -49.168 1.00 38.71 C ATOM 410 CZ PHE A1361 -18.448 -3.112 -50.178 1.00 39.02 C ATOM 411 H PHE A1361 -17.164 2.504 -51.012 1.00 0.00 H ATOM 412 N TYR A1362 -15.342 2.450 -47.320 1.00 39.89 N ATOM 413 CA TYR A1362 -14.218 3.138 -46.694 1.00 41.15 C ATOM 414 C TYR A1362 -12.984 2.239 -46.727 1.00 41.11 C ATOM 415 O TYR A1362 -13.098 1.013 -46.672 1.00 39.98 O ATOM 416 CB TYR A1362 -14.529 3.471 -45.233 1.00 40.84 C ATOM 417 CG TYR A1362 -15.646 4.467 -45.023 1.00 41.29 C ATOM 418 CD1 TYR A1362 -15.458 5.816 -45.297 1.00 42.55 C ATOM 419 CD2 TYR A1362 -16.881 4.065 -44.522 1.00 40.95 C ATOM 420 CE1 TYR A1362 -16.474 6.737 -45.094 1.00 42.80 C ATOM 421 CE2 TYR A1362 -17.901 4.977 -44.316 1.00 41.53 C ATOM 422 CZ TYR A1362 -17.690 6.312 -44.606 1.00 41.98 C ATOM 423 OH TYR A1362 -18.699 7.220 -44.398 1.00 42.49 O ATOM 424 HH TYR A1362 -18.386 8.124 -44.654 1.00 0.00 H ATOM 425 H TYR A1362 -15.996 1.908 -46.720 1.00 0.00 H ATOM 426 N TRP A1363 -11.808 2.852 -46.820 1.00 42.58 N ATOM 427 CA TRP A1363 -10.549 2.143 -46.595 1.00 43.08 C ATOM 428 C TRP A1363 -10.223 2.275 -45.111 1.00 43.76 C ATOM 429 O TRP A1363 -10.055 3.388 -44.614 1.00 45.37 O ATOM 430 CB TRP A1363 -9.430 2.738 -47.453 1.00 44.41 C ATOM 431 CG TRP A1363 -8.125 2.011 -47.327 1.00 44.88 C ATOM 432 CD1 TRP A1363 -6.977 2.482 -46.757 1.00 46.03 C ATOM 433 CD2 TRP A1363 -7.834 0.677 -47.771 1.00 44.60 C ATOM 434 NE1 TRP A1363 -5.987 1.529 -46.824 1.00 46.44 N ATOM 435 CE2 TRP A1363 -6.486 0.410 -47.439 1.00 45.82 C ATOM 436 CE3 TRP A1363 -8.578 -0.316 -48.414 1.00 43.44 C ATOM 437 CZ2 TRP A1363 -5.869 -0.812 -47.727 1.00 45.82 C ATOM 438 CZ3 TRP A1363 -7.965 -1.525 -48.705 1.00 43.74 C ATOM 439 CH2 TRP A1363 -6.623 -1.764 -48.359 1.00 45.08 C ATOM 440 HE1 TRP A1363 -5.017 1.640 -46.466 1.00 0.00 H ATOM 441 H TRP A1363 -11.783 3.864 -47.059 1.00 0.00 H ATOM 442 N GLY A1364 -10.150 1.148 -44.402 1.00 43.50 N ATOM 443 CA GLY A1364 -10.045 1.167 -42.941 1.00 43.50 C ATOM 444 C GLY A1364 -9.002 0.244 -42.341 1.00 43.75 C ATOM 445 O GLY A1364 -8.428 -0.594 -43.036 1.00 44.61 O ATOM 446 H GLY A1364 -10.168 0.234 -44.898 1.00 0.00 H ATOM 447 N GLU A1365 -8.764 0.405 -41.038 1.00 43.13 N ATOM 448 CA GLU A1365 -7.810 -0.428 -40.298 1.00 43.73 C ATOM 449 C GLU A1365 -8.390 -0.938 -38.976 1.00 43.35 C ATOM 450 O GLU A1365 -8.976 -0.177 -38.201 1.00 42.45 O ATOM 451 CB GLU A1365 -6.508 0.335 -40.026 1.00 44.55 C ATOM 452 CG GLU A1365 -5.512 -0.446 -39.177 1.00 45.75 C ATOM 453 CD GLU A1365 -4.103 0.118 -39.229 1.00 47.21 C ATOM 454 OE1 GLU A1365 -3.922 1.304 -38.898 1.00 48.10 O ATOM 455 OE2 GLU A1365 -3.174 -0.629 -39.601 1.00 48.05 O ATOM 456 H GLU A1365 -9.276 1.152 -40.526 1.00 0.00 H ATOM 457 N LEU A1366 -8.195 -2.230 -38.724 1.00 44.18 N ATOM 458 CA LEU A1366 -8.654 -2.876 -37.499 1.00 45.16 C ATOM 459 C LEU A1366 -7.740 -4.051 -37.155 1.00 47.40 C ATOM 460 O LEU A1366 -7.493 -4.921 -37.993 1.00 48.68 O ATOM 461 CB LEU A1366 -10.093 -3.371 -37.659 1.00 44.00 C ATOM 462 CG LEU A1366 -10.700 -4.147 -36.486 1.00 43.39 C ATOM 463 CD1 LEU A1366 -10.789 -3.279 -35.241 1.00 44.18 C ATOM 464 CD2 LEU A1366 -12.075 -4.682 -36.861 1.00 43.47 C ATOM 465 H LEU A1366 -7.693 -2.804 -39.431 1.00 0.00 H ATOM 466 N ARG A1367 -7.251 -4.063 -35.918 1.00 49.53 N ATOM 467 CA ARG A1367 -6.396 -5.140 -35.404 1.00 52.28 C ATOM 468 C ARG A1367 -5.235 -5.499 -36.344 1.00 52.65 C ATOM 469 O ARG A1367 -5.084 -6.651 -36.751 1.00 52.60 O ATOM 470 CB ARG A1367 -7.252 -6.369 -35.066 1.00 51.84 C ATOM 471 CG ARG A1367 -8.101 -6.165 -33.817 1.00 52.10 C ATOM 472 CD ARG A1367 -8.798 -7.440 -33.376 1.00 51.76 C ATOM 473 NE ARG A1367 -10.082 -7.600 -34.045 1.00 50.12 N ATOM 474 CZ ARG A1367 -11.240 -7.091 -33.619 1.00 50.16 C ATOM 475 NH1 ARG A1367 -11.311 -6.377 -32.498 1.00 50.46 N ATOM 476 NH2 ARG A1367 -12.346 -7.303 -34.323 1.00 48.05 N ATOM 477 HE ARG A1367 -10.098 -8.155 -34.924 1.00 0.00 H ATOM 478 HH12 ARG A1367 -12.224 -5.990 -32.185 1.00 0.00 H ATOM 479 HH11 ARG A1367 -10.453 -6.206 -31.935 1.00 0.00 H ATOM 480 HH22 ARG A1367 -13.252 -6.910 -33.998 1.00 0.00 H ATOM 481 HH21 ARG A1367 -12.306 -7.862 -35.199 1.00 0.00 H ATOM 482 H ARG A1367 -7.486 -3.272 -35.285 1.00 0.00 H ATOM 483 N GLY A1368 -4.442 -4.487 -36.696 1.00 53.44 N ATOM 484 CA GLY A1368 -3.231 -4.671 -37.501 1.00 55.12 C ATOM 485 C GLY A1368 -3.439 -5.010 -38.971 1.00 55.04 C ATOM 486 O GLY A1368 -2.499 -5.422 -39.654 1.00 55.69 O ATOM 487 H GLY A1368 -4.693 -3.526 -36.386 1.00 0.00 H ATOM 488 N ARG A1369 -4.660 -4.823 -39.463 1.00 54.71 N ATOM 489 CA ARG A1369 -5.023 -5.198 -40.826 1.00 55.11 C ATOM 490 C ARG A1369 -5.805 -4.068 -41.479 1.00 53.61 C ATOM 491 O ARG A1369 -6.593 -3.392 -40.819 1.00 53.55 O ATOM 492 CB ARG A1369 -5.839 -6.497 -40.798 1.00 55.48 C ATOM 493 CG ARG A1369 -6.580 -6.840 -42.079 1.00 56.97 C ATOM 494 CD ARG A1369 -6.202 -8.215 -42.576 1.00 59.11 C ATOM 495 NE ARG A1369 -6.871 -8.509 -43.842 1.00 59.36 N ATOM 496 CZ ARG A1369 -7.871 -9.374 -44.009 1.00 59.91 C ATOM 497 NH1 ARG A1369 -8.371 -10.083 -42.997 1.00 60.33 N ATOM 498 NH2 ARG A1369 -8.376 -9.536 -45.222 1.00 60.17 N ATOM 499 HE ARG A1369 -6.538 -7.999 -44.685 1.00 0.00 H ATOM 500 HH12 ARG A1369 -9.152 -10.749 -43.165 1.00 0.00 H ATOM 501 HH11 ARG A1369 -7.980 -9.970 -42.040 1.00 0.00 H ATOM 502 HH22 ARG A1369 -9.157 -10.206 -45.375 1.00 0.00 H ATOM 503 HH21 ARG A1369 -7.992 -8.993 -46.022 1.00 0.00 H ATOM 504 H ARG A1369 -5.384 -4.393 -38.853 1.00 0.00 H ATOM 505 N ARG A1370 -5.573 -3.861 -42.773 1.00 53.46 N ATOM 506 CA ARG A1370 -6.312 -2.867 -43.543 1.00 52.78 C ATOM 507 C ARG A1370 -7.171 -3.544 -44.600 1.00 51.53 C ATOM 508 O ARG A1370 -6.838 -4.625 -45.090 1.00 52.64 O ATOM 509 CB ARG A1370 -5.367 -1.873 -44.213 1.00 54.75 C ATOM 510 CG ARG A1370 -4.434 -1.144 -43.253 1.00 56.48 C ATOM 511 CD ARG A1370 -4.143 0.274 -43.731 1.00 58.10 C ATOM 512 NE ARG A1370 -2.719 0.620 -43.656 1.00 60.86 N ATOM 513 CZ ARG A1370 -2.155 1.468 -42.794 1.00 62.94 C ATOM 514 NH1 ARG A1370 -2.865 2.099 -41.868 1.00 62.96 N ATOM 515 NH2 ARG A1370 -0.844 1.682 -42.860 1.00 65.52 N ATOM 516 HE ARG A1370 -2.088 0.159 -44.342 1.00 0.00 H ATOM 517 HH12 ARG A1370 -2.396 2.754 -41.210 1.00 0.00 H ATOM 518 HH11 ARG A1370 -3.890 1.938 -41.800 1.00 0.00 H ATOM 519 HH22 ARG A1370 -0.390 2.340 -42.195 1.00 0.00 H ATOM 520 HH21 ARG A1370 -0.272 1.191 -43.577 1.00 0.00 H ATOM 521 H ARG A1370 -4.842 -4.426 -43.250 1.00 0.00 H ATOM 522 N GLY A1371 -8.273 -2.893 -44.957 1.00 48.97 N ATOM 523 CA GLY A1371 -9.199 -3.448 -45.929 1.00 47.00 C ATOM 524 C GLY A1371 -10.417 -2.574 -46.137 1.00 46.01 C ATOM 525 O GLY A1371 -10.607 -1.575 -45.440 1.00 45.15 O ATOM 526 H GLY A1371 -8.477 -1.966 -44.531 1.00 0.00 H ATOM 527 N TYR A1372 -11.250 -2.965 -47.096 1.00 44.66 N ATOM 528 CA TYR A1372 -12.450 -2.213 -47.416 1.00 42.95 C ATOM 529 C TYR A1372 -13.525 -2.445 -46.362 1.00 41.15 C ATOM 530 O TYR A1372 -13.677 -3.553 -45.840 1.00 39.51 O ATOM 531 CB TYR A1372 -12.968 -2.572 -48.811 1.00 43.33 C ATOM 532 CG TYR A1372 -12.067 -2.082 -49.922 1.00 44.04 C ATOM 533 CD1 TYR A1372 -12.008 -0.728 -50.248 1.00 44.73 C ATOM 534 CD2 TYR A1372 -11.265 -2.967 -50.641 1.00 45.07 C ATOM 535 CE1 TYR A1372 -11.179 -0.272 -51.261 1.00 45.65 C ATOM 536 CE2 TYR A1372 -10.429 -2.519 -51.654 1.00 45.81 C ATOM 537 CZ TYR A1372 -10.390 -1.172 -51.958 1.00 45.87 C ATOM 538 OH TYR A1372 -9.571 -0.726 -52.965 1.00 46.31 O ATOM 539 HH TYR A1372 -9.662 0.256 -53.052 1.00 0.00 H ATOM 540 H TYR A1372 -11.037 -3.831 -47.631 1.00 0.00 H ATOM 541 N VAL A1373 -14.259 -1.378 -46.062 1.00 40.42 N ATOM 542 CA VAL A1373 -15.292 -1.382 -45.039 1.00 39.75 C ATOM 543 C VAL A1373 -16.551 -0.765 -45.644 1.00 38.80 C ATOM 544 O VAL A1373 -16.515 0.371 -46.109 1.00 38.35 O ATOM 545 CB VAL A1373 -14.858 -0.552 -43.814 1.00 39.78 C ATOM 546 CG1 VAL A1373 -15.952 -0.523 -42.755 1.00 39.30 C ATOM 547 CG2 VAL A1373 -13.565 -1.105 -43.225 1.00 40.42 C ATOM 548 H VAL A1373 -14.086 -0.496 -46.585 1.00 0.00 H ATOM 549 N PRO A1374 -17.674 -1.503 -45.627 1.00 38.39 N ATOM 550 CA PRO A1374 -18.911 -0.969 -46.201 1.00 38.96 C ATOM 551 C PRO A1374 -19.532 0.100 -45.306 1.00 39.59 C ATOM 552 O PRO A1374 -19.674 -0.105 -44.099 1.00 40.02 O ATOM 553 CB PRO A1374 -19.814 -2.201 -46.311 1.00 38.63 C ATOM 554 CG PRO A1374 -19.309 -3.140 -45.271 1.00 38.31 C ATOM 555 CD PRO A1374 -17.853 -2.851 -45.063 1.00 37.70 C ATOM 556 N HIS A1375 -19.902 1.229 -45.903 1.00 41.36 N ATOM 557 CA HIS A1375 -20.398 2.382 -45.148 1.00 42.27 C ATOM 558 C HIS A1375 -21.709 2.082 -44.422 1.00 42.83 C ATOM 559 O HIS A1375 -21.946 2.597 -43.331 1.00 42.83 O ATOM 560 CB HIS A1375 -20.583 3.592 -46.072 1.00 43.93 C ATOM 561 CG HIS A1375 -21.878 3.583 -46.823 1.00 44.93 C ATOM 562 ND1 HIS A1375 -22.030 2.968 -48.048 1.00 45.78 N ATOM 563 CD2 HIS A1375 -23.091 4.093 -46.507 1.00 45.77 C ATOM 564 CE1 HIS A1375 -23.277 3.110 -48.458 1.00 46.07 C ATOM 565 NE2 HIS A1375 -23.940 3.793 -47.544 1.00 46.69 N ATOM 566 H HIS A1375 -19.837 1.296 -46.939 1.00 0.00 H ATOM 567 N ASN A1376 -22.554 1.248 -45.029 1.00 43.24 N ATOM 568 CA ASN A1376 -23.858 0.912 -44.451 1.00 43.66 C ATOM 569 C ASN A1376 -23.808 0.025 -43.199 1.00 43.40 C ATOM 570 O ASN A1376 -24.834 -0.193 -42.564 1.00 43.74 O ATOM 571 CB ASN A1376 -24.770 0.274 -45.507 1.00 44.91 C ATOM 572 CG ASN A1376 -24.262 -1.075 -46.001 1.00 44.79 C ATOM 573 OD1 ASN A1376 -23.099 -1.430 -45.814 1.00 44.54 O ATOM 574 ND2 ASN A1376 -25.141 -1.832 -46.646 1.00 46.12 N ATOM 575 HD22 ASN A1376 -26.115 -1.495 -46.783 1.00 0.00 H ATOM 576 HD21 ASN A1376 -24.855 -2.762 -47.014 1.00 0.00 H ATOM 577 H ASN A1376 -22.280 0.824 -45.938 1.00 0.00 H ATOM 578 N MET A1377 -22.627 -0.492 -42.859 1.00 43.85 N ATOM 579 CA MET A1377 -22.453 -1.324 -41.667 1.00 43.31 C ATOM 580 C MET A1377 -21.841 -0.550 -40.496 1.00 43.03 C ATOM 581 O MET A1377 -21.739 -1.088 -39.392 1.00 41.64 O ATOM 582 CB MET A1377 -21.552 -2.518 -41.988 1.00 43.67 C ATOM 583 CG MET A1377 -22.067 -3.428 -43.092 1.00 44.37 C ATOM 584 SD MET A1377 -23.474 -4.422 -42.590 1.00 46.19 S ATOM 585 CE MET A1377 -22.770 -6.051 -42.422 1.00 45.66 C ATOM 586 H MET A1377 -21.801 -0.298 -43.461 1.00 0.00 H ATOM 587 N VAL A1378 -21.433 0.697 -40.735 1.00 43.64 N ATOM 588 CA VAL A1378 -20.670 1.470 -39.753 1.00 44.64 C ATOM 589 C VAL A1378 -21.213 2.890 -39.591 1.00 46.62 C ATOM 590 O VAL A1378 -21.868 3.417 -40.487 1.00 47.96 O ATOM 591 CB VAL A1378 -19.171 1.556 -40.128 1.00 43.92 C ATOM 592 CG1 VAL A1378 -18.541 0.172 -40.147 1.00 43.63 C ATOM 593 CG2 VAL A1378 -18.970 2.253 -41.468 1.00 43.65 C ATOM 594 H VAL A1378 -21.664 1.135 -41.649 1.00 0.00 H ATOM 595 N SER A1379 -20.918 3.501 -38.445 1.00 48.15 N ATOM 596 CA SER A1379 -21.384 4.849 -38.140 1.00 50.40 C ATOM 597 C SER A1379 -20.214 5.717 -37.669 1.00 51.20 C ATOM 598 O SER A1379 -19.437 5.295 -36.804 1.00 52.67 O ATOM 599 CB SER A1379 -22.477 4.786 -37.070 1.00 51.44 C ATOM 600 OG SER A1379 -23.563 5.660 -37.393 1.00 53.56 O ATOM 601 HG SER A1379 -24.254 5.600 -36.687 1.00 0.00 H ATOM 602 H SER A1379 -20.336 3.000 -37.744 1.00 0.00 H ATOM 603 N GLU A1380 -20.093 6.920 -38.241 1.00 52.84 N ATOM 604 CA GLU A1380 -18.998 7.837 -37.906 1.00 54.37 C ATOM 605 C GLU A1380 -19.175 8.339 -36.478 1.00 55.20 C ATOM 606 O GLU A1380 -20.283 8.488 -35.982 1.00 56.47 O ATOM 607 CB GLU A1380 -18.878 9.053 -38.867 1.00 56.08 C ATOM 608 CG GLU A1380 -17.435 9.336 -39.287 1.00 57.03 C ATOM 609 CD GLU A1380 -17.305 10.577 -40.178 1.00 58.26 C ATOM 610 OE1 GLU A1380 -18.366 11.076 -40.551 1.00 59.28 O ATOM 611 OE2 GLU A1380 -16.191 11.087 -40.502 1.00 60.91 O ATOM 612 H GLU A1380 -20.798 7.215 -38.946 1.00 0.00 H ATOM 613 N VAL A1381 -18.067 8.637 -35.827 1.00 55.69 N ATOM 614 CA VAL A1381 -18.094 9.054 -34.443 1.00 56.21 C ATOM 615 C VAL A1381 -18.142 10.561 -34.463 1.00 57.15 C ATOM 616 O VAL A1381 -17.312 11.203 -35.104 1.00 56.45 O ATOM 617 CB VAL A1381 -16.838 8.555 -33.727 1.00 56.71 C ATOM 618 CG1 VAL A1381 -16.754 9.117 -32.324 1.00 57.82 C ATOM 619 CG2 VAL A1381 -16.792 7.033 -33.726 1.00 55.24 C ATOM 620 H VAL A1381 -17.154 8.570 -36.320 1.00 0.00 H ATOM 621 N GLU A1382 -19.098 11.095 -33.708 1.00 58.07 N ATOM 622 CA GLU A1382 -19.774 12.333 -34.051 1.00 59.34 C ATOM 623 C GLU A1382 -20.010 13.174 -32.802 1.00 61.10 C ATOM 624 O GLU A1382 -21.121 13.631 -32.521 1.00 61.71 O ATOM 625 CB GLU A1382 -21.104 11.962 -34.723 1.00 59.08 C ATOM 626 CG GLU A1382 -21.764 13.052 -35.553 1.00 60.21 C ATOM 627 CD GLU A1382 -23.111 12.623 -36.113 1.00 60.49 C ATOM 628 OE1 GLU A1382 -23.424 11.411 -36.088 1.00 60.10 O ATOM 629 OE2 GLU A1382 -23.866 13.501 -36.582 1.00 62.72 O ATOM 630 OXT GLU A1382 -19.080 13.415 -32.031 1.00 62.42 O ATOM 631 H GLU A1382 -19.373 10.604 -32.833 1.00 0.00 H TER 632 GLU A1382 HETATM 633 O HOH 1 -20.111 -11.751 -34.316 1.00 33.64 O HETATM 634 O HOH 2 -7.193 -2.057 -33.971 1.00 41.47 O HETATM 635 O HOH 3 -10.485 -1.177 -32.357 1.00 22.44 O HETATM 636 O HOH 4 -17.520 -10.822 -38.087 1.00 13.49 O HETATM 637 O HOH 5 -17.834 -12.933 -28.762 1.00 32.70 O HETATM 638 O HOH 6 -26.182 -14.460 -34.965 1.00 41.47 O HETATM 639 O HOH 7 -28.287 -12.845 -38.074 1.00 42.88 O HETATM 640 N ARG A 8 -17.789 -2.808 -57.117 1.00 0.24 N HETATM 641 CA ARG A 8 -17.803 -3.696 -55.907 1.00 0.07 C HETATM 642 C ARG A 8 -19.048 -3.424 -55.042 1.00 0.23 C HETATM 643 O ARG A 8 -19.402 -2.282 -54.746 1.00 -0.39 O HETATM 644 N ARG A 8 -19.690 -4.508 -54.629 1.00 -0.26 N HETATM 645 CA ARG A 8 -21.059 -4.465 -54.118 1.00 0.13 C HETATM 646 C ARG A 8 -21.135 -4.404 -52.597 1.00 0.20 C HETATM 647 O ARG A 8 -20.351 -5.055 -51.905 1.00 -0.39 O HETATM 648 N ARG A 8 -22.074 -3.600 -52.087 1.00 -0.26 N HETATM 649 CA ARG A 8 -22.301 -3.491 -50.645 1.00 0.13 C HETATM 650 C ARG A 8 -23.020 -4.724 -50.101 1.00 0.21 C HETATM 651 O ARG A 8 -23.872 -5.299 -50.785 1.00 -0.39 O HETATM 652 N ARG A 8 -22.694 -5.131 -48.862 1.00 -0.25 N HETATM 653 CA ARG A 8 -23.385 -6.272 -48.259 1.00 0.13 C HETATM 654 C ARG A 8 -24.777 -5.903 -47.758 1.00 0.20 C HETATM 655 O ARG A 8 -25.068 -4.723 -47.557 1.00 -0.39 O HETATM 656 N ARG A 8 -25.624 -6.916 -47.583 1.00 -0.26 N HETATM 657 CA ARG A 8 -26.938 -6.749 -46.951 1.00 0.13 C HETATM 658 C ARG A 8 -26.793 -6.676 -45.434 1.00 0.20 C HETATM 659 O ARG A 8 -26.042 -7.454 -44.831 1.00 -0.39 O HETATM 660 N ARG A 8 -27.494 -5.730 -44.816 1.00 -0.26 N HETATM 661 CA ARG A 8 -27.588 -5.691 -43.361 1.00 0.13 C HETATM 662 C ARG A 8 -28.494 -6.850 -42.962 1.00 0.21 C HETATM 663 O ARG A 8 -29.627 -6.916 -43.433 1.00 -0.39 O HETATM 664 N ARG A 8 -28.000 -7.766 -42.106 1.00 -0.25 N HETATM 665 CA ARG A 8 -28.827 -8.906 -41.700 1.00 0.13 C HETATM 666 C ARG A 8 -30.152 -8.452 -41.089 1.00 0.20 C HETATM 667 O ARG A 8 -30.164 -7.627 -40.175 1.00 -0.39 O HETATM 668 N ARG A 8 -31.251 -8.983 -41.617 1.00 -0.26 N HETATM 669 CA ARG A 8 -32.599 -8.542 -41.242 1.00 0.13 C HETATM 670 C ARG A 8 -32.953 -8.926 -39.811 1.00 0.20 C HETATM 671 O ARG A 8 -33.589 -8.154 -39.101 1.00 -0.39 O HETATM 672 N ARG A 8 -32.492 -10.094 -39.375 1.00 -0.26 N HETATM 673 CA ARG A 8 -32.708 -10.542 -37.999 1.00 0.15 C HETATM 674 C ARG A 8 -31.873 -9.789 -36.954 1.00 0.21 C HETATM 675 O ARG A 8 -32.071 -9.977 -35.756 1.00 -0.39 O HETATM 676 N ARG A 8 -30.940 -8.950 -37.404 1.00 -0.26 N HETATM 677 CA ARG A 8 -30.135 -8.114 -36.509 1.00 0.13 C HETATM 678 C ARG A 8 -30.566 -6.639 -36.530 1.00 0.20 C HETATM 679 O ARG A 8 -30.237 -5.885 -35.615 1.00 -0.39 O HETATM 680 N ARG A 8 -31.337 -6.261 -37.555 1.00 -0.26 N HETATM 681 CA ARG A 8 -31.711 -4.884 -37.844 1.00 0.13 C HETATM 682 C ARG A 8 -33.018 -4.510 -37.105 1.00 0.20 C HETATM 683 O ARG A 8 -33.326 -4.994 -35.991 1.00 -0.39 O HETATM 684 N ARG A 8 -33.798 -3.648 -37.742 1.00 -0.30 N HETATM 685 H116 ARG A 8 -34.661 -3.356 -37.330 1.00 0.18 H HETATM 686 H117 ARG A 8 -33.523 -3.290 -38.634 1.00 0.18 H HETATM 687 CB ARG A 8 -31.909 -4.792 -39.381 1.00 -0.01 C HETATM 688 CG ARG A 8 -32.176 -3.460 -40.087 1.00 -0.04 C HETATM 689 CD ARG A 8 -32.199 -3.612 -41.611 1.00 -0.01 C HETATM 690 CE ARG A 8 -33.398 -4.392 -42.139 1.00 -0.04 C HETATM 691 NZ ARG A 8 -33.596 -4.163 -43.598 1.00 0.22 N HETATM 692 H113 ARG A 8 -34.394 -4.691 -43.916 1.00 0.20 H HETATM 693 H114 ARG A 8 -32.774 -4.462 -44.100 1.00 0.20 H HETATM 694 H115 ARG A 8 -33.754 -3.182 -43.766 1.00 0.20 H HETATM 695 H111 ARG A 8 -34.301 -4.069 -41.600 1.00 0.08 H HETATM 696 H112 ARG A 8 -33.232 -5.465 -41.965 1.00 0.08 H HETATM 697 H109 ARG A 8 -31.282 -4.136 -41.920 1.00 0.03 H HETATM 698 H110 ARG A 8 -32.216 -2.607 -42.059 1.00 0.03 H HETATM 699 H107 ARG A 8 -31.384 -2.748 -39.813 1.00 0.03 H HETATM 700 H108 ARG A 8 -33.150 -3.071 -39.754 1.00 0.03 H HETATM 701 H105 ARG A 8 -32.762 -5.444 -39.621 1.00 0.03 H HETATM 702 H106 ARG A 8 -30.995 -5.203 -39.834 1.00 0.03 H HETATM 703 H104 ARG A 8 -30.908 -4.202 -37.527 1.00 0.08 H HETATM 704 H103 ARG A 8 -31.681 -6.974 -38.166 1.00 0.19 H HETATM 705 CB ARG A 8 -28.653 -8.227 -36.877 1.00 -0.01 C HETATM 706 CG ARG A 8 -28.120 -9.656 -36.819 1.00 -0.04 C HETATM 707 CD ARG A 8 -27.889 -10.139 -35.407 1.00 -0.01 C HETATM 708 CE ARG A 8 -27.305 -11.540 -35.433 1.00 -0.04 C HETATM 709 NZ ARG A 8 -26.693 -11.911 -34.133 1.00 0.22 N HETATM 710 H100 ARG A 8 -26.318 -12.845 -34.192 1.00 0.20 H HETATM 711 H101 ARG A 8 -27.394 -11.876 -33.409 1.00 0.20 H HETATM 712 H102 ARG A 8 -25.951 -11.265 -33.914 1.00 0.20 H HETATM 713 H98 ARG A 8 -26.534 -11.589 -36.215 1.00 0.08 H HETATM 714 H99 ARG A 8 -28.108 -12.255 -35.665 1.00 0.08 H HETATM 715 H96 ARG A 8 -28.846 -10.152 -34.864 1.00 0.03 H HETATM 716 H97 ARG A 8 -27.188 -9.460 -34.899 1.00 0.03 H HETATM 717 H94 ARG A 8 -27.166 -9.697 -37.365 1.00 0.03 H HETATM 718 H95 ARG A 8 -28.849 -10.323 -37.303 1.00 0.03 H HETATM 719 H92 ARG A 8 -28.072 -7.610 -36.176 1.00 0.03 H HETATM 720 H93 ARG A 8 -28.518 -7.846 -37.900 1.00 0.03 H HETATM 721 H91 ARG A 8 -30.268 -8.491 -35.484 1.00 0.08 H HETATM 722 H90 ARG A 8 -30.783 -8.889 -38.390 1.00 0.19 H HETATM 723 CB ARG A 8 -32.454 -12.047 -37.889 1.00 0.08 C HETATM 724 CG ARG A 8 -33.391 -12.861 -38.773 1.00 0.18 C HETATM 725 OD1 ARG A 8 -34.434 -12.373 -39.208 1.00 -0.40 O HETATM 726 ND2 ARG A 8 -33.016 -14.102 -39.048 1.00 -0.30 N HETATM 727 H88 ARG A 8 -33.592 -14.682 -39.624 1.00 0.18 H HETATM 728 H89 ARG A 8 -32.157 -14.458 -38.680 1.00 0.18 H HETATM 729 H86 ARG A 8 -32.600 -12.354 -36.843 1.00 0.06 H HETATM 730 H87 ARG A 8 -31.416 -12.253 -38.191 1.00 0.06 H HETATM 731 H85 ARG A 8 -33.766 -10.359 -37.761 1.00 0.08 H HETATM 732 H84 ARG A 8 -31.984 -10.682 -40.004 1.00 0.19 H HETATM 733 CB ARG A 8 -33.617 -9.094 -42.239 1.00 -0.01 C HETATM 734 CG ARG A 8 -33.375 -8.555 -43.658 1.00 -0.04 C HETATM 735 CD ARG A 8 -32.840 -9.639 -44.588 1.00 -0.01 C HETATM 736 CE ARG A 8 -32.259 -9.066 -45.881 1.00 -0.04 C HETATM 737 NZ ARG A 8 -33.155 -9.241 -47.060 1.00 0.22 N HETATM 738 H81 ARG A 8 -32.717 -8.844 -47.877 1.00 0.20 H HETATM 739 H82 ARG A 8 -34.031 -8.774 -46.888 1.00 0.20 H HETATM 740 H83 ARG A 8 -33.322 -10.223 -47.212 1.00 0.20 H HETATM 741 H79 ARG A 8 -31.305 -9.573 -46.090 1.00 0.08 H HETATM 742 H80 ARG A 8 -32.079 -7.990 -45.736 1.00 0.08 H HETATM 743 H77 ARG A 8 -33.663 -10.322 -44.844 1.00 0.03 H HETATM 744 H78 ARG A 8 -32.050 -10.196 -44.063 1.00 0.03 H HETATM 745 H75 ARG A 8 -32.644 -7.735 -43.608 1.00 0.03 H HETATM 746 H76 ARG A 8 -34.325 -8.175 -44.062 1.00 0.03 H HETATM 747 H73 ARG A 8 -34.627 -8.803 -41.915 1.00 0.03 H HETATM 748 H74 ARG A 8 -33.539 -10.191 -42.257 1.00 0.03 H HETATM 749 H72 ARG A 8 -32.624 -7.444 -41.305 1.00 0.08 H HETATM 750 H71 ARG A 8 -31.155 -9.711 -42.296 1.00 0.19 H HETATM 751 CB ARG A 8 -27.956 -9.624 -40.659 1.00 -0.01 C HETATM 752 CG ARG A 8 -26.560 -9.204 -40.974 1.00 -0.03 C HETATM 753 CD ARG A 8 -26.667 -7.800 -41.476 1.00 0.04 C HETATM 754 H69 ARG A 8 -26.604 -7.079 -40.647 1.00 0.05 H HETATM 755 H70 ARG A 8 -25.878 -7.583 -42.211 1.00 0.05 H HETATM 756 H67 ARG A 8 -26.128 -9.856 -41.747 1.00 0.03 H HETATM 757 H68 ARG A 8 -25.934 -9.242 -40.070 1.00 0.03 H HETATM 758 H65 ARG A 8 -28.062 -10.715 -40.751 1.00 0.03 H HETATM 759 H66 ARG A 8 -28.234 -9.313 -39.641 1.00 0.03 H HETATM 760 H64 ARG A 8 -29.031 -9.563 -42.558 1.00 0.08 H HETATM 761 CB ARG A 8 -28.177 -4.365 -42.847 1.00 -0.00 C HETATM 762 CG1 ARG A 8 -27.205 -3.210 -43.113 1.00 -0.05 C HETATM 763 CD1 ARG A 8 -27.871 -1.852 -43.171 1.00 -0.06 C HETATM 764 H61 ARG A 8 -27.112 -1.079 -43.364 1.00 0.02 H HETATM 765 H62 ARG A 8 -28.368 -1.646 -42.212 1.00 0.02 H HETATM 766 H63 ARG A 8 -28.617 -1.844 -43.979 1.00 0.02 H HETATM 767 H56 ARG A 8 -26.705 -3.392 -44.076 1.00 0.03 H HETATM 768 H57 ARG A 8 -26.456 -3.195 -42.308 1.00 0.03 H HETATM 769 CG2 ARG A 8 -28.452 -4.452 -41.353 1.00 -0.06 C HETATM 770 H58 ARG A 8 -29.149 -5.280 -41.156 1.00 0.02 H HETATM 771 H59 ARG A 8 -28.897 -3.507 -41.006 1.00 0.02 H HETATM 772 H60 ARG A 8 -27.509 -4.632 -40.816 1.00 0.02 H HETATM 773 H55 ARG A 8 -29.122 -4.168 -43.375 1.00 0.03 H HETATM 774 H54 ARG A 8 -26.588 -5.827 -42.924 1.00 0.08 H HETATM 775 H53 ARG A 8 -27.965 -5.034 -45.358 1.00 0.19 H HETATM 776 CB ARG A 8 -27.896 -7.901 -47.308 1.00 -0.00 C HETATM 777 CG ARG A 8 -28.401 -7.860 -48.772 1.00 0.00 C HETATM 778 CD ARG A 8 -29.782 -7.226 -48.883 1.00 0.04 C HETATM 779 OE1 ARG A 8 -29.859 -6.179 -49.544 1.00 -0.57 O HETATM 780 OE2 ARG A 8 -30.783 -7.747 -48.307 1.00 -0.57 O HETATM 781 H51 ARG A 8 -28.450 -8.888 -49.159 1.00 0.04 H HETATM 782 H52 ARG A 8 -27.692 -7.274 -49.376 1.00 0.04 H HETATM 783 H49 ARG A 8 -28.767 -7.848 -46.639 1.00 0.03 H HETATM 784 H50 ARG A 8 -27.369 -8.853 -47.149 1.00 0.03 H HETATM 785 H48 ARG A 8 -27.376 -5.806 -47.311 1.00 0.08 H HETATM 786 H47 ARG A 8 -25.354 -7.827 -47.895 1.00 0.19 H HETATM 787 CB ARG A 8 -22.477 -6.656 -47.085 1.00 -0.01 C HETATM 788 CG ARG A 8 -21.773 -5.394 -46.726 1.00 -0.03 C HETATM 789 CD ARG A 8 -21.628 -4.604 -47.991 1.00 0.04 C HETATM 790 H45 ARG A 8 -21.773 -3.530 -47.801 1.00 0.05 H HETATM 791 H46 ARG A 8 -20.638 -4.766 -48.442 1.00 0.05 H HETATM 792 H43 ARG A 8 -20.782 -5.620 -46.305 1.00 0.03 H HETATM 793 H44 ARG A 8 -22.363 -4.827 -45.991 1.00 0.03 H HETATM 794 H41 ARG A 8 -21.756 -7.430 -47.388 1.00 0.03 H HETATM 795 H42 ARG A 8 -23.073 -7.023 -46.237 1.00 0.03 H HETATM 796 H40 ARG A 8 -23.467 -7.099 -48.979 1.00 0.08 H HETATM 797 CB ARG A 8 -23.127 -2.239 -50.314 1.00 -0.01 C HETATM 798 CG ARG A 8 -22.388 -0.902 -50.408 1.00 -0.04 C HETATM 799 CD1 ARG A 8 -23.376 0.252 -50.416 1.00 -0.06 C HETATM 800 H34 ARG A 8 -22.828 1.203 -50.484 1.00 0.02 H HETATM 801 H35 ARG A 8 -23.967 0.235 -49.489 1.00 0.02 H HETATM 802 H36 ARG A 8 -24.048 0.153 -51.281 1.00 0.02 H HETATM 803 CD2 ARG A 8 -21.386 -0.744 -49.272 1.00 -0.06 C HETATM 804 H37 ARG A 8 -20.681 -1.589 -49.285 1.00 0.02 H HETATM 805 H38 ARG A 8 -21.921 -0.727 -48.311 1.00 0.02 H HETATM 806 H39 ARG A 8 -20.832 0.198 -49.400 1.00 0.02 H HETATM 807 H33 ARG A 8 -21.832 -0.885 -51.357 1.00 0.03 H HETATM 808 H31 ARG A 8 -23.501 -2.345 -49.285 1.00 0.03 H HETATM 809 H32 ARG A 8 -23.977 -2.203 -51.011 1.00 0.03 H HETATM 810 H30 ARG A 8 -21.323 -3.409 -50.148 1.00 0.08 H HETATM 811 H29 ARG A 8 -22.638 -3.057 -52.709 1.00 0.19 H HETATM 812 CB ARG A 8 -21.823 -5.652 -54.706 1.00 -0.01 C HETATM 813 CG ARG A 8 -21.975 -5.428 -56.194 1.00 -0.04 C HETATM 814 CD ARG A 8 -22.403 -6.647 -56.954 1.00 -0.01 C HETATM 815 CE ARG A 8 -22.942 -6.253 -58.300 1.00 -0.04 C HETATM 816 NZ ARG A 8 -23.171 -7.394 -59.222 1.00 0.22 N HETATM 817 H26 ARG A 8 -23.531 -7.051 -60.099 1.00 0.20 H HETATM 818 H27 ARG A 8 -23.837 -8.029 -58.811 1.00 0.20 H HETATM 819 H28 ARG A 8 -22.301 -7.877 -59.382 1.00 0.20 H HETATM 820 H24 ARG A 8 -22.223 -5.567 -58.772 1.00 0.08 H HETATM 821 H25 ARG A 8 -23.900 -5.734 -58.149 1.00 0.08 H HETATM 822 H22 ARG A 8 -23.186 -7.172 -56.388 1.00 0.03 H HETATM 823 H23 ARG A 8 -21.539 -7.314 -57.089 1.00 0.03 H HETATM 824 H20 ARG A 8 -21.006 -5.093 -56.594 1.00 0.03 H HETATM 825 H21 ARG A 8 -22.728 -4.641 -56.350 1.00 0.03 H HETATM 826 H18 ARG A 8 -22.816 -5.725 -54.237 1.00 0.03 H HETATM 827 H19 ARG A 8 -21.263 -6.581 -54.525 1.00 0.03 H HETATM 828 H17 ARG A 8 -21.528 -3.544 -54.496 1.00 0.08 H HETATM 829 H16 ARG A 8 -19.219 -5.389 -54.669 1.00 0.19 H HETATM 830 CB ARG A 8 -16.485 -3.549 -55.102 1.00 0.01 C HETATM 831 CG ARG A 8 -16.637 -3.037 -53.683 1.00 -0.01 C HETATM 832 CD ARG A 8 -15.367 -3.172 -52.853 1.00 0.06 C HETATM 833 NE ARG A 8 -14.835 -4.536 -52.844 1.00 -0.27 N HETATM 834 CZ ARG A 8 -13.601 -4.902 -53.193 1.00 0.29 C HETATM 835 NH1 ARG A 8 -12.695 -4.020 -53.604 1.00 -0.28 N HETATM 836 H12 ARG A 8 -11.751 -4.336 -53.866 1.00 0.26 H HETATM 837 H13 ARG A 8 -12.938 -3.021 -53.660 1.00 0.26 H HETATM 838 NH2 ARG A 8 -13.272 -6.185 -53.127 1.00 -0.28 N HETATM 839 H14 ARG A 8 -13.964 -6.879 -52.810 1.00 0.26 H HETATM 840 H15 ARG A 8 -12.324 -6.488 -53.392 1.00 0.26 H HETATM 841 H11 ARG A 8 -15.474 -5.284 -52.539 1.00 0.26 H HETATM 842 H9 ARG A 8 -15.591 -2.876 -51.818 1.00 0.07 H HETATM 843 H10 ARG A 8 -14.602 -2.500 -53.269 1.00 0.07 H HETATM 844 H7 ARG A 8 -17.438 -3.607 -53.190 1.00 0.03 H HETATM 845 H8 ARG A 8 -16.916 -1.974 -53.724 1.00 0.03 H HETATM 846 H5 ARG A 8 -15.833 -2.850 -55.646 1.00 0.03 H HETATM 847 H6 ARG A 8 -16.005 -4.538 -55.055 1.00 0.03 H HETATM 848 H4 ARG A 8 -17.864 -4.738 -56.255 1.00 0.11 H HETATM 849 H1 ARG A 8 -16.967 -3.003 -57.667 1.00 0.20 H HETATM 850 H2 ARG A 8 -17.777 -1.843 -56.826 1.00 0.20 H HETATM 851 H3 ARG A 8 -18.613 -2.982 -57.671 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 640 641 849 850 851 CONECT 641 640 642 830 848 CONECT 642 641 643 644 CONECT 643 642 CONECT 644 642 645 829 CONECT 645 644 646 812 828 CONECT 646 645 647 648 CONECT 647 646 CONECT 648 646 649 811 CONECT 649 648 650 797 810 CONECT 650 649 651 652 CONECT 651 650 CONECT 652 650 653 789 CONECT 653 652 654 787 796 CONECT 654 653 655 656 CONECT 655 654 CONECT 656 654 657 786 CONECT 657 656 658 776 785 CONECT 658 657 659 660 CONECT 659 658 CONECT 660 658 661 775 CONECT 661 660 662 761 774 CONECT 662 661 663 664 CONECT 663 662 CONECT 664 662 665 753 CONECT 665 664 666 751 760 CONECT 666 665 667 668 CONECT 667 666 CONECT 668 666 669 750 CONECT 669 668 670 733 749 CONECT 670 669 671 672 CONECT 671 670 CONECT 672 670 673 732 CONECT 673 672 674 723 731 CONECT 674 673 675 676 CONECT 675 674 CONECT 676 674 677 722 CONECT 677 676 678 705 721 CONECT 678 677 679 680 CONECT 679 678 CONECT 680 678 681 704 CONECT 681 680 682 687 703 CONECT 682 681 683 684 CONECT 683 682 CONECT 684 682 685 686 CONECT 685 684 CONECT 686 684 CONECT 687 681 688 701 702 CONECT 688 687 689 699 700 CONECT 689 688 690 697 698 CONECT 690 689 691 695 696 CONECT 691 690 692 693 694 CONECT 692 691 CONECT 693 691 CONECT 694 691 CONECT 695 690 CONECT 696 690 CONECT 697 689 CONECT 698 689 CONECT 699 688 CONECT 700 688 CONECT 701 687 CONECT 702 687 CONECT 703 681 CONECT 704 680 CONECT 705 677 706 719 720 CONECT 706 705 707 717 718 CONECT 707 706 708 715 716 CONECT 708 707 709 713 714 CONECT 709 708 710 711 712 CONECT 710 709 CONECT 711 709 CONECT 712 709 CONECT 713 708 CONECT 714 708 CONECT 715 707 CONECT 716 707 CONECT 717 706 CONECT 718 706 CONECT 719 705 CONECT 720 705 CONECT 721 677 CONECT 722 676 CONECT 723 673 724 729 730 CONECT 724 723 725 726 CONECT 725 724 CONECT 726 724 727 728 CONECT 727 726 CONECT 728 726 CONECT 729 723 CONECT 730 723 CONECT 731 673 CONECT 732 672 CONECT 733 669 734 747 748 CONECT 734 733 735 745 746 CONECT 735 734 736 743 744 CONECT 736 735 737 741 742 CONECT 737 736 738 739 740 CONECT 738 737 CONECT 739 737 CONECT 740 737 CONECT 741 736 CONECT 742 736 CONECT 743 735 CONECT 744 735 CONECT 745 734 CONECT 746 734 CONECT 747 733 CONECT 748 733 CONECT 749 669 CONECT 750 668 CONECT 751 665 752 758 759 CONECT 752 751 753 756 757 CONECT 753 664 752 754 755 CONECT 754 753 CONECT 755 753 CONECT 756 752 CONECT 757 752 CONECT 758 751 CONECT 759 751 CONECT 760 665 CONECT 761 661 762 769 773 CONECT 762 761 763 767 768 CONECT 763 762 764 765 766 CONECT 764 763 CONECT 765 763 CONECT 766 763 CONECT 767 762 CONECT 768 762 CONECT 769 761 770 771 772 CONECT 770 769 CONECT 771 769 CONECT 772 769 CONECT 773 761 CONECT 774 661 CONECT 775 660 CONECT 776 657 777 783 784 CONECT 777 776 778 781 782 CONECT 778 777 779 780 CONECT 779 778 CONECT 780 778 CONECT 781 777 CONECT 782 777 CONECT 783 776 CONECT 784 776 CONECT 785 657 CONECT 786 656 CONECT 787 653 788 794 795 CONECT 788 787 789 792 793 CONECT 789 652 788 790 791 CONECT 790 789 CONECT 791 789 CONECT 792 788 CONECT 793 788 CONECT 794 787 CONECT 795 787 CONECT 796 653 CONECT 797 649 798 808 809 CONECT 798 797 799 803 807 CONECT 799 798 800 801 802 CONECT 800 799 CONECT 801 799 CONECT 802 799 CONECT 803 798 804 805 806 CONECT 804 803 CONECT 805 803 CONECT 806 803 CONECT 807 798 CONECT 808 797 CONECT 809 797 CONECT 810 649 CONECT 811 648 CONECT 812 645 813 826 827 CONECT 813 812 814 824 825 CONECT 814 813 815 822 823 CONECT 815 814 816 820 821 CONECT 816 815 817 818 819 CONECT 817 816 CONECT 818 816 CONECT 819 816 CONECT 820 815 CONECT 821 815 CONECT 822 814 CONECT 823 814 CONECT 824 813 CONECT 825 813 CONECT 826 812 CONECT 827 812 CONECT 828 645 CONECT 829 644 CONECT 830 641 831 846 847 CONECT 831 830 832 844 845 CONECT 832 831 833 842 843 CONECT 833 832 834 841 CONECT 834 833 835 838 CONECT 835 834 836 837 CONECT 836 835 CONECT 837 835 CONECT 838 834 839 840 CONECT 839 838 CONECT 840 838 CONECT 841 833 CONECT 842 832 CONECT 843 832 CONECT 844 831 CONECT 845 831 CONECT 846 830 CONECT 847 830 CONECT 848 641 CONECT 849 640 CONECT 850 640 CONECT 851 640 MASTER 0 0 0 0 0 0 0 0 850 1 216 5 END
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Entry Information
PDB ID
4z88
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SH3-II of Drosophila Rim-binding protein
Ligand Name
17-mer
EC.Number
E.C.-.-.-.-
Resolution
2.09(Å)
Affinity (Kd/Ki/IC50)
Kd=4.1uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Elife Vol. 4: pp.1-30
Ligand Properties
Formula
C
6
1
H
1
1
8
N
2
0
O
1
4
Molecular Weight
1355.720
Exact Mass
1354.910
No. of atoms
213
No. of bonds
214
Polar Surface Area
601.11
LOGP Value
-3.56 (
Computed with XLOGP3
)
-4.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 15
No. of Hydrogen Bond Acceptors: 14
No. of Rotatable Bonds: 57
No. of Nitrogen and Oxygen Atoms: 34
No. of Rings: 2
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCCC[NH3+])CCCC[NH3+])CC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)[NH3+])CCCC[NH3+])CC(C)C)CCC(=O)O
InChI String
InChI=1S/C61H112N20O14/c1-5-36(4)49(60(95)81-32-16-23-46(81)58(93)75-41(21-9-13-29-65)53(88)77-43(34-47(67)82)56(91)74-40(20-8-12-28-64)52(87)72-38(50(68)85)18-6-10-26-62)79-55(90)42(24-25-48(83)84)76-57(92)45-22-15-31-80(45)59(94)44(33-35(2)3)78-54(89)39(19-7-11-27-63)73-51(86)37(66)17-14-30-71-61(69)70/h35-46,49H,5-34,62-66H2,1-4H3,(H2,67,82)(H2,68,85)(H,72,87)(H,73,86)(H,74,91)(H,75,93)(H,76,92)(H,77,88)(H,78,89)(H,79,90)(H,83,84)(H4,69,70,71)/p+6/t36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,49-/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):
Q9W0K0
A0A0B4JDC9
Entrez Gene ID
NCBI Entrez Gene ID:
53472
41880
ASD
Information of known allosteric effects of PDB entries
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