Browse entries in the PDBbind-CN Database
HEADER 6FX1_COMPLEX COMPND 6FX1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 40 ALA PRO VAL PRO VAL THR LYS LEU VAL CYS ASP GLY ASP SEQRES 2 A 40 THR TYR LYS CYS THR ALA TYR LEU ASP PHE GLY ASP GLY SEQRES 3 A 40 ARG TRP VAL ALA GLN TRP ASP THR ASN VAL PHE HIS THR SEQRES 4 A 40 GLY SEQRES 1 B 42 ALA MET ALA PRO VAL PRO VAL THR LYS LEU VAL CYS ASP SEQRES 2 B 42 GLY ASP THR TYR LYS CYS THR ALA TYR LEU ASP PHE GLY SEQRES 3 B 42 ASP GLY ARG TRP VAL ALA GLN TRP ASP THR ASN VAL PHE SEQRES 4 B 42 HIS THR GLY SEQRES 1 C 40 ALA PRO VAL PRO VAL THR LYS LEU VAL CYS ASP GLY ASP SEQRES 2 C 40 THR TYR LYS CYS THR ALA TYR LEU ASP PHE GLY ASP GLY SEQRES 3 C 40 ARG TRP VAL ALA GLN TRP ASP THR ASN VAL PHE HIS THR SEQRES 4 C 40 GLY HET FUC A 200 148 SSBOND 1 CYS A 10 CYS A 17 SSBOND 2 CYS B 10 CYS B 17 SSBOND 3 CYS C 10 CYS C 17 ATOM 1 N ALA A 1 33.627 -23.389 -25.177 1.00 54.43 N ATOM 2 CA ALA A 1 32.223 -23.234 -24.591 1.00 51.39 C ATOM 3 C ALA A 1 31.865 -24.122 -23.364 1.00 47.46 C ATOM 4 O ALA A 1 31.242 -23.597 -22.438 1.00 44.58 O ATOM 5 CB ALA A 1 31.143 -23.359 -25.666 1.00 51.98 C ATOM 6 HN3 ALA A 1 33.763 -24.370 -25.493 1.00 0.00 H ATOM 7 HN2 ALA A 1 34.333 -23.157 -24.449 1.00 0.00 H ATOM 8 HN1 ALA A 1 33.737 -22.744 -25.986 1.00 0.00 H ATOM 9 N PRO A 2 32.228 -25.436 -23.360 1.00 46.58 N ATOM 10 CA PRO A 2 31.848 -26.250 -22.169 1.00 44.78 C ATOM 11 C PRO A 2 32.650 -25.799 -20.933 1.00 41.98 C ATOM 12 O PRO A 2 33.826 -25.477 -21.092 1.00 45.76 O ATOM 13 CB PRO A 2 32.189 -27.699 -22.578 1.00 47.47 C ATOM 14 CG PRO A 2 32.885 -27.640 -23.888 1.00 49.87 C ATOM 15 CD PRO A 2 32.622 -26.287 -24.501 1.00 50.37 C ATOM 16 N VAL A 3 32.009 -25.676 -19.774 1.00 36.52 N ATOM 17 CA VAL A 3 32.699 -25.301 -18.542 1.00 34.97 C ATOM 18 C VAL A 3 32.505 -26.352 -17.439 1.00 33.84 C ATOM 19 O VAL A 3 31.409 -26.949 -17.336 1.00 31.20 O ATOM 20 CB VAL A 3 32.284 -23.935 -18.005 1.00 32.43 C ATOM 21 CG1 VAL A 3 32.740 -22.841 -18.959 1.00 32.80 C ATOM 22 CG2 VAL A 3 30.775 -23.857 -17.731 1.00 32.57 C ATOM 23 H VAL A 3 30.984 -25.852 -19.744 1.00 0.00 H ATOM 24 N PRO A 4 33.534 -26.537 -16.580 1.00 33.60 N ATOM 25 CA PRO A 4 33.426 -27.570 -15.488 1.00 33.97 C ATOM 26 C PRO A 4 32.239 -27.306 -14.536 1.00 31.67 C ATOM 27 O PRO A 4 31.837 -26.171 -14.329 1.00 30.40 O ATOM 28 CB PRO A 4 34.777 -27.463 -14.761 1.00 35.21 C ATOM 29 CG PRO A 4 35.666 -26.679 -15.680 1.00 36.00 C ATOM 30 CD PRO A 4 34.775 -25.757 -16.456 1.00 34.08 C ATOM 31 N VAL A 5 31.628 -28.358 -14.048 1.00 32.84 N ATOM 32 CA VAL A 5 30.658 -28.301 -12.955 1.00 32.16 C ATOM 33 C VAL A 5 31.432 -28.356 -11.650 1.00 33.01 C ATOM 34 O VAL A 5 32.229 -29.218 -11.485 1.00 33.64 O ATOM 35 CB VAL A 5 29.654 -29.457 -13.058 1.00 32.16 C ATOM 36 CG1 VAL A 5 28.760 -29.580 -11.833 1.00 31.82 C ATOM 37 CG2 VAL A 5 28.788 -29.266 -14.297 1.00 32.46 C ATOM 38 H VAL A 5 31.846 -29.287 -14.462 1.00 0.00 H ATOM 39 N THR A 6 31.235 -27.398 -10.762 1.00 33.93 N ATOM 40 CA THR A 6 31.907 -27.412 -9.461 1.00 36.52 C ATOM 41 C THR A 6 31.098 -28.149 -8.406 1.00 38.61 C ATOM 42 O THR A 6 31.663 -28.711 -7.468 1.00 39.63 O ATOM 43 CB THR A 6 32.159 -25.989 -8.924 1.00 37.90 C ATOM 44 OG1 THR A 6 30.906 -25.307 -8.750 1.00 38.37 O ATOM 45 CG2 THR A 6 33.045 -25.165 -9.917 1.00 37.91 C ATOM 46 HG1 THR A 6 31.074 -24.394 -8.405 1.00 0.00 H ATOM 47 H THR A 6 30.588 -26.617 -10.992 1.00 0.00 H ATOM 48 N LYS A 7 29.774 -28.123 -8.529 1.00 36.98 N ATOM 49 CA LYS A 7 28.932 -28.770 -7.538 1.00 38.82 C ATOM 50 C LYS A 7 27.616 -29.201 -8.169 1.00 35.84 C ATOM 51 O LYS A 7 27.048 -28.486 -8.971 1.00 33.18 O ATOM 52 CB LYS A 7 28.638 -27.742 -6.432 1.00 42.65 C ATOM 53 CG LYS A 7 27.920 -28.307 -5.205 1.00 48.05 C ATOM 54 CD LYS A 7 27.217 -27.243 -4.280 1.00 51.68 C ATOM 55 CE LYS A 7 27.856 -25.859 -4.224 1.00 56.01 C ATOM 56 NZ LYS A 7 27.316 -24.845 -3.213 1.00 59.48 N ATOM 57 HZ1 LYS A 7 26.310 -24.666 -3.407 1.00 0.00 H ATOM 58 HZ2 LYS A 7 27.422 -25.226 -2.251 1.00 0.00 H ATOM 59 HZ3 LYS A 7 27.850 -23.956 -3.296 1.00 0.00 H ATOM 60 H LYS A 7 29.339 -27.637 -9.339 1.00 0.00 H ATOM 61 N LEU A 8 27.105 -30.345 -7.764 1.00 34.65 N ATOM 62 CA LEU A 8 25.871 -30.839 -8.260 1.00 34.66 C ATOM 63 C LEU A 8 24.894 -31.198 -7.119 1.00 35.23 C ATOM 64 O LEU A 8 25.240 -31.991 -6.230 1.00 36.90 O ATOM 65 CB LEU A 8 26.180 -32.045 -9.140 1.00 35.32 C ATOM 66 CG LEU A 8 25.005 -32.829 -9.700 1.00 36.55 C ATOM 67 CD1 LEU A 8 24.208 -32.018 -10.691 1.00 36.56 C ATOM 68 CD2 LEU A 8 25.482 -34.119 -10.365 1.00 37.66 C ATOM 69 H LEU A 8 27.623 -30.905 -7.057 1.00 0.00 H ATOM 70 N VAL A 9 23.672 -30.657 -7.201 1.00 34.23 N ATOM 71 CA VAL A 9 22.605 -30.913 -6.247 1.00 36.44 C ATOM 72 C VAL A 9 21.332 -31.315 -6.937 1.00 35.33 C ATOM 73 O VAL A 9 21.072 -30.899 -8.061 1.00 34.86 O ATOM 74 CB VAL A 9 22.289 -29.692 -5.344 1.00 36.80 C ATOM 75 CG1 VAL A 9 23.464 -29.421 -4.414 1.00 38.38 C ATOM 76 CG2 VAL A 9 21.900 -28.453 -6.132 1.00 35.40 C ATOM 77 H VAL A 9 23.474 -30.015 -7.995 1.00 0.00 H ATOM 78 N CYS A 10 20.521 -32.109 -6.278 1.00 36.29 N ATOM 79 CA CYS A 10 19.202 -32.442 -6.837 1.00 37.47 C ATOM 80 C CYS A 10 18.143 -32.293 -5.774 1.00 38.25 C ATOM 81 O CYS A 10 18.428 -32.425 -4.563 1.00 40.02 O ATOM 82 CB CYS A 10 19.159 -33.818 -7.503 1.00 37.18 C ATOM 83 SG CYS A 10 20.369 -34.179 -8.788 1.00 40.40 S ATOM 84 H CYS A 10 20.811 -32.503 -5.360 1.00 0.00 H ATOM 85 N ASP A 11 16.922 -31.996 -6.224 1.00 37.85 N ATOM 86 CA ASP A 11 15.854 -31.557 -5.332 1.00 39.74 C ATOM 87 C ASP A 11 14.587 -32.394 -5.596 1.00 41.57 C ATOM 88 O ASP A 11 13.931 -32.263 -6.659 1.00 38.85 O ATOM 89 CB ASP A 11 15.619 -30.065 -5.546 1.00 39.67 C ATOM 90 CG ASP A 11 14.557 -29.474 -4.642 1.00 41.90 C ATOM 91 OD1 ASP A 11 13.630 -30.198 -4.195 1.00 42.48 O ATOM 92 OD2 ASP A 11 14.596 -28.227 -4.463 1.00 43.73 O ATOM 93 H ASP A 11 16.726 -32.080 -7.242 1.00 0.00 H ATOM 94 N GLY A 12 14.256 -33.233 -4.598 1.00 42.64 N ATOM 95 CA GLY A 12 13.039 -34.069 -4.612 1.00 43.19 C ATOM 96 C GLY A 12 11.670 -33.391 -4.398 1.00 44.45 C ATOM 97 O GLY A 12 10.635 -34.058 -4.497 1.00 44.32 O ATOM 98 H GLY A 12 14.889 -33.296 -3.775 1.00 0.00 H ATOM 99 N ASP A 13 11.632 -32.082 -4.152 1.00 44.43 N ATOM 100 CA ASP A 13 10.366 -31.345 -4.127 1.00 46.11 C ATOM 101 C ASP A 13 10.092 -30.680 -5.483 1.00 45.19 C ATOM 102 O ASP A 13 8.958 -30.610 -5.902 1.00 46.84 O ATOM 103 CB ASP A 13 10.384 -30.264 -3.041 1.00 48.43 C ATOM 104 CG ASP A 13 10.303 -30.828 -1.638 1.00 51.29 C ATOM 105 OD1 ASP A 13 10.119 -32.062 -1.447 1.00 50.30 O ATOM 106 OD2 ASP A 13 10.435 -30.013 -0.708 1.00 53.66 O ATOM 107 H ASP A 13 12.521 -31.572 -3.974 1.00 0.00 H ATOM 108 N THR A 14 11.126 -30.140 -6.138 1.00 43.04 N ATOM 109 CA THR A 14 10.978 -29.492 -7.439 1.00 42.53 C ATOM 110 C THR A 14 11.235 -30.457 -8.583 1.00 40.35 C ATOM 111 O THR A 14 10.926 -30.134 -9.721 1.00 41.03 O ATOM 112 CB THR A 14 11.941 -28.274 -7.601 1.00 42.52 C ATOM 113 OG1 THR A 14 13.304 -28.724 -7.509 1.00 40.49 O ATOM 114 CG2 THR A 14 11.649 -27.215 -6.556 1.00 44.25 C ATOM 115 HG1 THR A 14 13.913 -27.951 -7.612 1.00 0.00 H ATOM 116 H THR A 14 12.071 -30.183 -5.705 1.00 0.00 H ATOM 117 N TYR A 15 11.848 -31.601 -8.284 1.00 39.86 N ATOM 118 CA TYR A 15 12.299 -32.565 -9.292 1.00 40.06 C ATOM 119 C TYR A 15 13.246 -31.942 -10.322 1.00 41.29 C ATOM 120 O TYR A 15 12.987 -32.002 -11.556 1.00 38.67 O ATOM 121 CB TYR A 15 11.090 -33.236 -9.987 1.00 41.26 C ATOM 122 CG TYR A 15 10.338 -34.137 -9.058 1.00 41.46 C ATOM 123 CD1 TYR A 15 9.363 -33.622 -8.218 1.00 42.87 C ATOM 124 CD2 TYR A 15 10.642 -35.501 -8.982 1.00 41.34 C ATOM 125 CE1 TYR A 15 8.698 -34.442 -7.322 1.00 44.19 C ATOM 126 CE2 TYR A 15 9.973 -36.330 -8.089 1.00 43.04 C ATOM 127 CZ TYR A 15 9.007 -35.790 -7.257 1.00 43.34 C ATOM 128 OH TYR A 15 8.330 -36.597 -6.384 1.00 46.20 O ATOM 129 HH TYR A 15 7.681 -36.054 -5.870 1.00 0.00 H ATOM 130 H TYR A 15 12.016 -31.822 -7.282 1.00 0.00 H ATOM 131 N LYS A 16 14.322 -31.326 -9.806 1.00 38.80 N ATOM 132 CA LYS A 16 15.381 -30.813 -10.638 1.00 37.84 C ATOM 133 C LYS A 16 16.716 -31.086 -10.058 1.00 35.71 C ATOM 134 O LYS A 16 16.889 -31.134 -8.849 1.00 34.41 O ATOM 135 CB LYS A 16 15.379 -29.299 -10.721 1.00 41.00 C ATOM 136 CG LYS A 16 14.065 -28.597 -10.910 1.00 44.71 C ATOM 137 CD LYS A 16 13.827 -28.237 -12.351 1.00 46.71 C ATOM 138 CE LYS A 16 12.632 -27.294 -12.423 1.00 50.90 C ATOM 139 NZ LYS A 16 12.647 -26.714 -13.785 1.00 53.97 N ATOM 140 HZ1 LYS A 16 13.539 -26.201 -13.932 1.00 0.00 H ATOM 141 HZ2 LYS A 16 12.565 -27.477 -14.486 1.00 0.00 H ATOM 142 HZ3 LYS A 16 11.847 -26.058 -13.890 1.00 0.00 H ATOM 143 H LYS A 16 14.393 -31.216 -8.774 1.00 0.00 H ATOM 144 N CYS A 17 17.688 -31.132 -10.950 1.00 35.10 N ATOM 145 CA CYS A 17 19.083 -31.104 -10.610 1.00 33.88 C ATOM 146 C CYS A 17 19.638 -29.754 -11.063 1.00 34.08 C ATOM 147 O CYS A 17 19.193 -29.198 -12.104 1.00 32.25 O ATOM 148 CB CYS A 17 19.828 -32.279 -11.240 1.00 34.72 C ATOM 149 SG CYS A 17 19.371 -33.903 -10.588 1.00 36.97 S ATOM 150 H CYS A 17 17.429 -31.192 -11.955 1.00 0.00 H ATOM 151 N THR A 18 20.561 -29.224 -10.236 1.00 33.02 N ATOM 152 CA THR A 18 21.218 -27.922 -10.448 1.00 33.32 C ATOM 153 C THR A 18 22.736 -28.150 -10.344 1.00 31.78 C ATOM 154 O THR A 18 23.243 -28.667 -9.337 1.00 32.96 O ATOM 155 CB THR A 18 20.745 -26.889 -9.427 1.00 34.84 C ATOM 156 OG1 THR A 18 19.327 -26.740 -9.516 1.00 35.07 O ATOM 157 CG2 THR A 18 21.381 -25.543 -9.675 1.00 35.78 C ATOM 158 HG1 THR A 18 18.893 -27.610 -9.330 1.00 0.00 H ATOM 159 H THR A 18 20.827 -29.770 -9.392 1.00 0.00 H ATOM 160 N ALA A 19 23.432 -27.821 -11.419 1.00 29.84 N ATOM 161 CA ALA A 19 24.860 -27.938 -11.508 1.00 30.67 C ATOM 162 C ALA A 19 25.460 -26.529 -11.479 1.00 30.79 C ATOM 163 O ALA A 19 25.182 -25.721 -12.352 1.00 31.88 O ATOM 164 CB ALA A 19 25.277 -28.649 -12.773 1.00 30.51 C ATOM 165 H ALA A 19 22.916 -27.457 -12.246 1.00 0.00 H ATOM 166 N TYR A 20 26.299 -26.261 -10.488 1.00 31.64 N ATOM 167 CA TYR A 20 26.968 -24.964 -10.356 1.00 33.13 C ATOM 168 C TYR A 20 28.181 -25.000 -11.294 1.00 32.85 C ATOM 169 O TYR A 20 28.952 -25.991 -11.307 1.00 32.76 O ATOM 170 CB TYR A 20 27.372 -24.694 -8.916 1.00 36.07 C ATOM 171 CG TYR A 20 26.197 -24.544 -7.980 1.00 38.07 C ATOM 172 CD1 TYR A 20 25.602 -25.664 -7.395 1.00 40.69 C ATOM 173 CD2 TYR A 20 25.670 -23.306 -7.706 1.00 41.91 C ATOM 174 CE1 TYR A 20 24.498 -25.532 -6.560 1.00 43.56 C ATOM 175 CE2 TYR A 20 24.578 -23.145 -6.866 1.00 44.52 C ATOM 176 CZ TYR A 20 23.992 -24.265 -6.297 1.00 46.95 C ATOM 177 OH TYR A 20 22.911 -24.115 -5.443 1.00 52.66 O ATOM 178 HH TYR A 20 22.615 -25.005 -5.127 1.00 0.00 H ATOM 179 H TYR A 20 26.489 -26.998 -9.779 1.00 0.00 H ATOM 180 N LEU A 21 28.311 -23.934 -12.078 1.00 30.85 N ATOM 181 CA LEU A 21 29.288 -23.840 -13.127 1.00 30.72 C ATOM 182 C LEU A 21 30.517 -23.025 -12.749 1.00 31.75 C ATOM 183 O LEU A 21 30.446 -22.069 -11.969 1.00 31.58 O ATOM 184 CB LEU A 21 28.639 -23.302 -14.365 1.00 29.52 C ATOM 185 CG LEU A 21 27.394 -24.096 -14.861 1.00 29.11 C ATOM 186 CD1 LEU A 21 26.942 -23.508 -16.199 1.00 29.02 C ATOM 187 CD2 LEU A 21 27.694 -25.586 -15.043 1.00 29.04 C ATOM 188 H LEU A 21 27.673 -23.127 -11.924 1.00 0.00 H ATOM 189 N ASP A 22 31.657 -23.471 -13.252 1.00 32.71 N ATOM 190 CA ASP A 22 32.907 -22.725 -13.131 1.00 34.68 C ATOM 191 C ASP A 22 32.996 -21.733 -14.279 1.00 33.24 C ATOM 192 O ASP A 22 33.558 -22.055 -15.329 1.00 34.84 O ATOM 193 CB ASP A 22 34.093 -23.654 -13.176 1.00 35.15 C ATOM 194 CG ASP A 22 35.410 -22.929 -12.924 1.00 39.10 C ATOM 195 OD1 ASP A 22 35.438 -21.714 -12.659 1.00 39.30 O ATOM 196 OD2 ASP A 22 36.424 -23.603 -12.984 1.00 42.94 O ATOM 197 H ASP A 22 31.663 -24.384 -13.750 1.00 0.00 H ATOM 198 N PHE A 23 32.431 -20.552 -14.070 1.00 31.01 N ATOM 199 CA PHE A 23 32.321 -19.531 -15.119 1.00 31.35 C ATOM 200 C PHE A 23 31.990 -18.173 -14.487 1.00 30.71 C ATOM 201 O PHE A 23 31.166 -18.118 -13.589 1.00 29.68 O ATOM 202 CB PHE A 23 31.223 -19.941 -16.139 1.00 30.91 C ATOM 203 CG PHE A 23 31.029 -18.960 -17.264 1.00 31.30 C ATOM 204 CD1 PHE A 23 31.970 -18.848 -18.291 1.00 32.26 C ATOM 205 CD2 PHE A 23 29.917 -18.124 -17.280 1.00 31.02 C ATOM 206 CE1 PHE A 23 31.794 -17.921 -19.336 1.00 31.43 C ATOM 207 CE2 PHE A 23 29.735 -17.205 -18.312 1.00 33.41 C ATOM 208 CZ PHE A 23 30.689 -17.099 -19.331 1.00 32.46 C ATOM 209 H PHE A 23 32.051 -20.341 -13.125 1.00 0.00 H ATOM 210 N GLY A 24 32.601 -17.093 -14.991 1.00 30.22 N ATOM 211 CA GLY A 24 32.285 -15.711 -14.567 1.00 30.87 C ATOM 212 C GLY A 24 32.293 -15.522 -13.047 1.00 31.45 C ATOM 213 O GLY A 24 33.199 -15.949 -12.365 1.00 29.78 O ATOM 214 H GLY A 24 33.334 -17.233 -15.716 1.00 0.00 H ATOM 215 N ASP A 25 31.209 -14.983 -12.510 1.00 31.76 N ATOM 216 CA ASP A 25 31.107 -14.740 -11.065 1.00 32.34 C ATOM 217 C ASP A 25 30.808 -15.965 -10.191 1.00 33.58 C ATOM 218 O ASP A 25 30.570 -15.821 -9.022 1.00 32.74 O ATOM 219 CB ASP A 25 30.036 -13.682 -10.816 1.00 32.44 C ATOM 220 CG ASP A 25 28.601 -14.201 -11.079 1.00 32.10 C ATOM 221 OD1 ASP A 25 28.425 -15.358 -11.573 1.00 29.92 O ATOM 222 OD2 ASP A 25 27.650 -13.421 -10.834 1.00 33.02 O ATOM 223 H ASP A 25 30.411 -14.726 -13.126 1.00 0.00 H ATOM 224 N GLY A 26 30.737 -17.153 -10.772 1.00 32.27 N ATOM 225 CA GLY A 26 30.481 -18.360 -9.983 1.00 34.18 C ATOM 226 C GLY A 26 29.011 -18.620 -9.704 1.00 34.67 C ATOM 227 O GLY A 26 28.674 -19.615 -9.083 1.00 35.03 O ATOM 228 H GLY A 26 30.865 -17.230 -11.801 1.00 0.00 H ATOM 229 N ARG A 27 28.124 -17.780 -10.219 1.00 32.96 N ATOM 230 CA ARG A 27 26.717 -17.894 -9.918 1.00 33.50 C ATOM 231 C ARG A 27 25.921 -18.362 -11.116 1.00 31.22 C ATOM 232 O ARG A 27 24.727 -18.245 -11.102 1.00 32.59 O ATOM 233 CB ARG A 27 26.208 -16.555 -9.416 1.00 37.68 C ATOM 234 CG ARG A 27 26.973 -15.964 -8.224 1.00 41.96 C ATOM 235 CD ARG A 27 26.563 -16.621 -6.922 1.00 47.04 C ATOM 236 NE ARG A 27 25.105 -16.436 -6.821 1.00 52.55 N ATOM 237 CZ ARG A 27 24.209 -17.243 -6.235 1.00 54.71 C ATOM 238 NH1 ARG A 27 24.583 -18.357 -5.534 1.00 57.00 N ATOM 239 NH2 ARG A 27 22.901 -16.886 -6.326 1.00 52.32 N ATOM 240 HE ARG A 27 24.724 -15.573 -7.258 1.00 0.00 H ATOM 241 HH12 ARG A 27 23.860 -18.960 -5.092 1.00 0.00 H ATOM 242 HH11 ARG A 27 25.590 -18.600 -5.443 1.00 0.00 H ATOM 243 HH22 ARG A 27 22.168 -17.480 -5.888 1.00 0.00 H ATOM 244 HH21 ARG A 27 22.633 -16.019 -6.834 1.00 0.00 H ATOM 245 H ARG A 27 28.449 -17.023 -10.853 1.00 0.00 H ATOM 246 N TRP A 28 26.562 -18.927 -12.129 1.00 29.25 N ATOM 247 CA TRP A 28 25.839 -19.512 -13.227 1.00 30.51 C ATOM 248 C TRP A 28 25.559 -20.994 -12.946 1.00 31.36 C ATOM 249 O TRP A 28 26.403 -21.684 -12.365 1.00 31.59 O ATOM 250 CB TRP A 28 26.628 -19.427 -14.532 1.00 30.80 C ATOM 251 CG TRP A 28 26.902 -18.034 -15.017 1.00 30.38 C ATOM 252 CD1 TRP A 28 27.801 -17.133 -14.499 1.00 31.26 C ATOM 253 CD2 TRP A 28 26.285 -17.395 -16.125 1.00 31.30 C ATOM 254 NE1 TRP A 28 27.764 -15.958 -15.217 1.00 31.62 N ATOM 255 CE2 TRP A 28 26.860 -16.094 -16.236 1.00 31.29 C ATOM 256 CE3 TRP A 28 25.304 -17.784 -17.034 1.00 29.58 C ATOM 257 CZ2 TRP A 28 26.481 -15.197 -17.219 1.00 32.29 C ATOM 258 CZ3 TRP A 28 24.936 -16.891 -18.028 1.00 33.04 C ATOM 259 CH2 TRP A 28 25.513 -15.593 -18.108 1.00 32.38 C ATOM 260 HE1 TRP A 28 28.329 -15.108 -15.018 1.00 0.00 H ATOM 261 H TRP A 28 27.602 -18.948 -12.130 1.00 0.00 H ATOM 262 N VAL A 29 24.406 -21.471 -13.396 1.00 29.75 N ATOM 263 CA VAL A 29 23.992 -22.863 -13.232 1.00 31.15 C ATOM 264 C VAL A 29 23.413 -23.477 -14.507 1.00 31.76 C ATOM 265 O VAL A 29 22.911 -22.785 -15.399 1.00 31.30 O ATOM 266 CB VAL A 29 22.939 -23.067 -12.108 1.00 31.02 C ATOM 267 CG1 VAL A 29 23.387 -22.425 -10.786 1.00 31.80 C ATOM 268 CG2 VAL A 29 21.560 -22.528 -12.499 1.00 32.56 C ATOM 269 H VAL A 29 23.763 -20.821 -13.891 1.00 0.00 H ATOM 270 N ALA A 30 23.524 -24.795 -14.580 1.00 32.22 N ATOM 271 CA ALA A 30 22.730 -25.581 -15.481 1.00 31.70 C ATOM 272 C ALA A 30 21.712 -26.287 -14.648 1.00 32.06 C ATOM 273 O ALA A 30 22.013 -26.731 -13.539 1.00 32.47 O ATOM 274 CB ALA A 30 23.604 -26.573 -16.200 1.00 33.09 C ATOM 275 H ALA A 30 24.210 -25.276 -13.964 1.00 0.00 H ATOM 276 N GLN A 31 20.502 -26.386 -15.189 1.00 33.82 N ATOM 277 CA GLN A 31 19.380 -26.974 -14.465 1.00 34.46 C ATOM 278 C GLN A 31 18.434 -27.804 -15.386 1.00 35.36 C ATOM 279 O GLN A 31 18.041 -27.360 -16.481 1.00 34.98 O ATOM 280 CB GLN A 31 18.629 -25.869 -13.734 1.00 35.45 C ATOM 281 CG GLN A 31 17.608 -26.347 -12.746 1.00 38.10 C ATOM 282 CD GLN A 31 16.892 -25.215 -12.023 1.00 39.07 C ATOM 283 OE1 GLN A 31 15.990 -24.586 -12.574 1.00 39.80 O ATOM 284 NE2 GLN A 31 17.247 -25.013 -10.743 1.00 39.14 N ATOM 285 HE22 GLN A 31 18.017 -25.571 -10.323 1.00 0.00 H ATOM 286 HE21 GLN A 31 16.752 -24.298 -10.173 1.00 0.00 H ATOM 287 H GLN A 31 20.351 -26.034 -16.156 1.00 0.00 H ATOM 288 N TRP A 32 18.085 -29.011 -14.926 1.00 34.33 N ATOM 289 CA TRP A 32 17.238 -29.915 -15.705 1.00 35.26 C ATOM 290 C TRP A 32 16.241 -30.696 -14.861 1.00 36.79 C ATOM 291 O TRP A 32 16.501 -31.009 -13.662 1.00 34.59 O ATOM 292 CB TRP A 32 18.081 -30.900 -16.514 1.00 35.51 C ATOM 293 CG TRP A 32 19.007 -31.779 -15.708 1.00 34.81 C ATOM 294 CD1 TRP A 32 18.747 -33.052 -15.245 1.00 35.27 C ATOM 295 CD2 TRP A 32 20.353 -31.487 -15.323 1.00 33.32 C ATOM 296 NE1 TRP A 32 19.854 -33.541 -14.567 1.00 34.88 N ATOM 297 CE2 TRP A 32 20.839 -32.596 -14.586 1.00 33.51 C ATOM 298 CE3 TRP A 32 21.178 -30.382 -15.478 1.00 32.95 C ATOM 299 CZ2 TRP A 32 22.128 -32.642 -14.047 1.00 33.92 C ATOM 300 CZ3 TRP A 32 22.472 -30.429 -14.960 1.00 32.29 C ATOM 301 CH2 TRP A 32 22.936 -31.559 -14.244 1.00 33.57 C ATOM 302 HE1 TRP A 32 19.922 -34.476 -14.117 1.00 0.00 H ATOM 303 H TRP A 32 18.424 -29.314 -13.991 1.00 0.00 H ATOM 304 N ASP A 33 15.120 -31.015 -15.495 1.00 37.00 N ATOM 305 CA ASP A 33 14.132 -31.961 -14.918 1.00 39.63 C ATOM 306 C ASP A 33 14.684 -33.373 -14.679 1.00 38.30 C ATOM 307 O ASP A 33 15.479 -33.893 -15.446 1.00 37.99 O ATOM 308 CB ASP A 33 12.916 -32.045 -15.841 1.00 42.04 C ATOM 309 CG ASP A 33 12.168 -30.733 -15.919 1.00 44.09 C ATOM 310 OD1 ASP A 33 12.190 -29.915 -14.970 1.00 43.81 O ATOM 311 OD2 ASP A 33 11.550 -30.510 -16.955 1.00 50.57 O ATOM 312 H ASP A 33 14.928 -30.589 -16.424 1.00 0.00 H ATOM 313 N THR A 34 14.264 -33.979 -13.592 1.00 40.07 N ATOM 314 CA THR A 34 14.733 -35.270 -13.219 1.00 40.01 C ATOM 315 C THR A 34 13.610 -36.061 -12.556 1.00 41.89 C ATOM 316 O THR A 34 12.708 -35.463 -12.026 1.00 42.41 O ATOM 317 CB THR A 34 15.930 -35.129 -12.280 1.00 40.26 C ATOM 318 OG1 THR A 34 16.440 -36.426 -12.015 1.00 42.78 O ATOM 319 CG2 THR A 34 15.578 -34.507 -10.961 1.00 39.22 C ATOM 320 HG1 THR A 34 15.735 -36.976 -11.589 1.00 0.00 H ATOM 321 H THR A 34 13.568 -33.501 -12.985 1.00 0.00 H ATOM 322 N ASN A 35 13.627 -37.394 -12.639 1.00 42.66 N ATOM 323 CA ASN A 35 12.868 -38.193 -11.684 1.00 44.24 C ATOM 324 C ASN A 35 13.711 -38.288 -10.421 1.00 42.67 C ATOM 325 O ASN A 35 14.948 -38.239 -10.482 1.00 40.83 O ATOM 326 CB ASN A 35 12.532 -39.582 -12.236 1.00 47.63 C ATOM 327 CG ASN A 35 11.390 -40.299 -11.445 1.00 53.27 C ATOM 328 OD1 ASN A 35 10.604 -39.668 -10.679 1.00 54.23 O ATOM 329 ND2 ASN A 35 11.284 -41.638 -11.641 1.00 53.83 N ATOM 330 HD22 ASN A 35 11.947 -42.124 -12.278 1.00 0.00 H ATOM 331 HD21 ASN A 35 10.540 -42.177 -11.155 1.00 0.00 H ATOM 332 H ASN A 35 14.181 -37.862 -13.384 1.00 0.00 H ATOM 333 N VAL A 36 13.034 -38.390 -9.278 1.00 43.41 N ATOM 334 CA VAL A 36 13.656 -38.716 -7.998 1.00 42.83 C ATOM 335 C VAL A 36 12.807 -39.782 -7.311 1.00 44.73 C ATOM 336 O VAL A 36 11.591 -39.608 -7.232 1.00 46.24 O ATOM 337 CB VAL A 36 13.712 -37.479 -7.090 1.00 42.63 C ATOM 338 CG1 VAL A 36 14.286 -37.826 -5.726 1.00 43.69 C ATOM 339 CG2 VAL A 36 14.562 -36.417 -7.743 1.00 41.53 C ATOM 340 H VAL A 36 12.007 -38.229 -9.299 1.00 0.00 H ATOM 341 N PHE A 37 13.439 -40.865 -6.841 1.00 43.59 N ATOM 342 CA PHE A 37 12.756 -41.937 -6.133 1.00 45.90 C ATOM 343 C PHE A 37 13.707 -42.709 -5.202 1.00 45.91 C ATOM 344 O PHE A 37 14.936 -42.542 -5.266 1.00 44.54 O ATOM 345 CB PHE A 37 12.058 -42.916 -7.131 1.00 46.78 C ATOM 346 CG PHE A 37 13.001 -43.541 -8.130 1.00 46.59 C ATOM 347 CD1 PHE A 37 13.357 -42.863 -9.297 1.00 46.66 C ATOM 348 CD2 PHE A 37 13.561 -44.781 -7.895 1.00 47.39 C ATOM 349 CE1 PHE A 37 14.254 -43.422 -10.203 1.00 46.61 C ATOM 350 CE2 PHE A 37 14.452 -45.358 -8.803 1.00 48.33 C ATOM 351 CZ PHE A 37 14.802 -44.676 -9.954 1.00 47.50 C ATOM 352 H PHE A 37 14.465 -40.943 -6.989 1.00 0.00 H ATOM 353 N HIS A 38 13.112 -43.539 -4.345 1.00 46.79 N ATOM 354 CA HIS A 38 13.819 -44.399 -3.399 1.00 48.32 C ATOM 355 C HIS A 38 14.004 -45.792 -4.035 1.00 50.55 C ATOM 356 O HIS A 38 13.042 -46.389 -4.478 1.00 49.60 O ATOM 357 CB HIS A 38 12.983 -44.497 -2.110 1.00 49.30 C ATOM 358 CG HIS A 38 13.655 -45.251 -1.002 1.00 51.11 C ATOM 359 ND1 HIS A 38 13.470 -46.604 -0.795 1.00 52.48 N ATOM 360 CD2 HIS A 38 14.528 -44.842 -0.051 1.00 50.84 C ATOM 361 CE1 HIS A 38 14.199 -46.993 0.235 1.00 55.04 C ATOM 362 NE2 HIS A 38 14.865 -45.942 0.694 1.00 54.03 N ATOM 363 H HIS A 38 12.073 -43.577 -4.350 1.00 0.00 H ATOM 364 N THR A 39 15.227 -46.306 -4.092 1.00 52.76 N ATOM 365 CA THR A 39 15.491 -47.606 -4.695 1.00 56.31 C ATOM 366 C THR A 39 15.359 -48.743 -3.678 1.00 61.91 C ATOM 367 O THR A 39 15.435 -48.533 -2.452 1.00 61.12 O ATOM 368 CB THR A 39 16.894 -47.693 -5.338 1.00 57.76 C ATOM 369 OG1 THR A 39 17.915 -47.592 -4.340 1.00 58.15 O ATOM 370 CG2 THR A 39 17.100 -46.581 -6.360 1.00 56.74 C ATOM 371 HG1 THR A 39 17.831 -46.725 -3.870 1.00 0.00 H ATOM 372 H THR A 39 16.021 -45.764 -3.694 1.00 0.00 H ATOM 373 N GLY A 40 15.180 -49.948 -4.218 1.00 40.89 N ATOM 374 CA GLY A 40 14.851 -51.136 -3.430 1.00 43.14 C ATOM 375 C GLY A 40 13.338 -51.243 -3.316 1.00 46.19 C ATOM 376 O GLY A 40 12.610 -51.011 -4.293 1.00 45.31 O ATOM 377 OXT GLY A 40 12.803 -51.546 -2.248 1.00 46.24 O ATOM 378 H GLY A 40 15.279 -50.049 -5.248 1.00 0.00 H TER 379 GLY A 40 ATOM 380 N ALA B -1 17.075 -22.784 1.459 1.00 61.66 N ATOM 381 CA ALA B -1 16.364 -23.935 0.843 1.00 58.69 C ATOM 382 C ALA B -1 17.262 -25.133 1.113 1.00 60.83 C ATOM 383 O ALA B -1 18.452 -25.176 0.699 1.00 50.74 O ATOM 384 CB ALA B -1 16.123 -23.742 -0.659 1.00 63.14 C ATOM 385 HN3 ALA B -1 18.008 -22.676 1.013 1.00 0.00 H ATOM 386 HN2 ALA B -1 17.194 -22.956 2.478 1.00 0.00 H ATOM 387 HN1 ALA B -1 16.518 -21.917 1.315 1.00 0.00 H ATOM 388 N MET B 0 16.696 -26.062 1.876 1.00 58.05 N ATOM 389 CA MET B 0 17.382 -27.263 2.280 1.00 52.44 C ATOM 390 C MET B 0 16.961 -28.437 1.452 1.00 45.13 C ATOM 391 O MET B 0 17.542 -29.518 1.597 1.00 47.04 O ATOM 392 CB MET B 0 17.108 -27.532 3.753 1.00 54.86 C ATOM 393 CG MET B 0 17.565 -26.388 4.658 1.00 58.31 C ATOM 394 SD MET B 0 18.932 -25.366 3.995 1.00 61.45 S ATOM 395 CE MET B 0 20.357 -26.478 3.890 1.00 55.27 C ATOM 396 H MET B 0 15.717 -25.916 2.195 1.00 0.00 H ATOM 397 N ALA B 1 16.005 -28.219 0.562 1.00 51.81 N ATOM 398 CA ALA B 1 15.543 -29.269 -0.322 1.00 48.99 C ATOM 399 C ALA B 1 16.596 -29.827 -1.321 1.00 45.50 C ATOM 400 O ALA B 1 16.692 -31.055 -1.479 1.00 44.70 O ATOM 401 CB ALA B 1 14.291 -28.807 -1.047 1.00 51.75 C ATOM 402 H ALA B 1 15.577 -27.274 0.496 1.00 0.00 H ATOM 403 N PRO B 2 17.383 -28.949 -1.993 1.00 40.92 N ATOM 404 CA PRO B 2 18.429 -29.472 -2.856 1.00 39.64 C ATOM 405 C PRO B 2 19.530 -30.128 -2.063 1.00 38.26 C ATOM 406 O PRO B 2 20.119 -29.487 -1.180 1.00 40.59 O ATOM 407 CB PRO B 2 18.971 -28.238 -3.572 1.00 41.04 C ATOM 408 CG PRO B 2 17.966 -27.168 -3.300 1.00 42.55 C ATOM 409 CD PRO B 2 17.360 -27.488 -1.983 1.00 41.55 C ATOM 410 N VAL B 3 19.788 -31.393 -2.342 1.00 36.18 N ATOM 411 CA VAL B 3 20.739 -32.147 -1.579 1.00 35.51 C ATOM 412 C VAL B 3 21.885 -32.531 -2.492 1.00 34.94 C ATOM 413 O VAL B 3 21.676 -32.740 -3.680 1.00 36.11 O ATOM 414 CB VAL B 3 20.138 -33.414 -0.910 1.00 36.39 C ATOM 415 CG1 VAL B 3 19.130 -33.044 0.162 1.00 36.80 C ATOM 416 CG2 VAL B 3 19.485 -34.381 -1.907 1.00 36.06 C ATOM 417 H VAL B 3 19.291 -31.852 -3.132 1.00 0.00 H ATOM 418 N PRO B 4 23.089 -32.645 -1.945 1.00 34.76 N ATOM 419 CA PRO B 4 24.200 -32.963 -2.785 1.00 35.06 C ATOM 420 C PRO B 4 24.122 -34.322 -3.417 1.00 34.78 C ATOM 421 O PRO B 4 23.574 -35.250 -2.812 1.00 34.90 O ATOM 422 CB PRO B 4 25.398 -32.909 -1.857 1.00 36.18 C ATOM 423 CG PRO B 4 24.987 -32.186 -0.661 1.00 36.94 C ATOM 424 CD PRO B 4 23.496 -32.181 -0.606 1.00 36.36 C ATOM 425 N VAL B 5 24.713 -34.423 -4.600 1.00 34.01 N ATOM 426 CA VAL B 5 24.937 -35.673 -5.282 1.00 33.62 C ATOM 427 C VAL B 5 26.223 -36.264 -4.794 1.00 34.30 C ATOM 428 O VAL B 5 27.237 -35.630 -4.855 1.00 37.77 O ATOM 429 CB VAL B 5 25.005 -35.495 -6.818 1.00 34.05 C ATOM 430 CG1 VAL B 5 25.414 -36.793 -7.516 1.00 35.08 C ATOM 431 CG2 VAL B 5 23.646 -35.038 -7.333 1.00 34.83 C ATOM 432 H VAL B 5 25.034 -33.549 -5.063 1.00 0.00 H ATOM 433 N THR B 6 26.161 -37.490 -4.307 1.00 36.03 N ATOM 434 CA THR B 6 27.309 -38.234 -3.808 1.00 37.64 C ATOM 435 C THR B 6 28.134 -38.869 -4.924 1.00 38.48 C ATOM 436 O THR B 6 29.371 -38.964 -4.840 1.00 37.84 O ATOM 437 CB THR B 6 26.847 -39.343 -2.806 1.00 38.70 C ATOM 438 OG1 THR B 6 25.805 -40.145 -3.363 1.00 40.32 O ATOM 439 CG2 THR B 6 26.279 -38.731 -1.537 1.00 39.43 C ATOM 440 HG1 THR B 6 25.028 -39.571 -3.578 1.00 0.00 H ATOM 441 H THR B 6 25.231 -37.955 -4.278 1.00 0.00 H ATOM 442 N LYS B 7 27.447 -39.269 -5.989 1.00 38.85 N ATOM 443 CA LYS B 7 28.076 -40.066 -7.051 1.00 39.75 C ATOM 444 C LYS B 7 27.160 -40.082 -8.261 1.00 37.42 C ATOM 445 O LYS B 7 25.967 -40.300 -8.130 1.00 38.60 O ATOM 446 CB LYS B 7 28.274 -41.454 -6.485 1.00 42.78 C ATOM 447 CG LYS B 7 28.502 -42.574 -7.434 1.00 44.99 C ATOM 448 CD LYS B 7 29.931 -42.776 -7.812 1.00 46.54 C ATOM 449 CE LYS B 7 30.074 -44.212 -8.300 1.00 46.89 C ATOM 450 NZ LYS B 7 31.236 -44.279 -9.213 1.00 47.73 N ATOM 451 HZ1 LYS B 7 31.079 -43.642 -10.020 1.00 0.00 H ATOM 452 HZ2 LYS B 7 32.094 -43.988 -8.702 1.00 0.00 H ATOM 453 HZ3 LYS B 7 31.349 -45.254 -9.557 1.00 0.00 H ATOM 454 H LYS B 7 26.443 -39.012 -6.072 1.00 0.00 H ATOM 455 N LEU B 8 27.720 -39.799 -9.419 1.00 36.62 N ATOM 456 CA LEU B 8 26.974 -39.773 -10.670 1.00 37.48 C ATOM 457 C LEU B 8 27.452 -40.917 -11.538 1.00 37.10 C ATOM 458 O LEU B 8 28.675 -41.076 -11.739 1.00 37.09 O ATOM 459 CB LEU B 8 27.226 -38.462 -11.425 1.00 38.20 C ATOM 460 CG LEU B 8 26.476 -38.269 -12.739 1.00 39.92 C ATOM 461 CD1 LEU B 8 24.972 -38.276 -12.482 1.00 39.20 C ATOM 462 CD2 LEU B 8 26.988 -37.003 -13.427 1.00 39.28 C ATOM 463 H LEU B 8 28.738 -39.585 -9.441 1.00 0.00 H ATOM 464 N VAL B 9 26.495 -41.698 -12.026 1.00 35.97 N ATOM 465 CA VAL B 9 26.773 -42.746 -13.035 1.00 37.29 C ATOM 466 C VAL B 9 25.832 -42.666 -14.204 1.00 37.24 C ATOM 467 O VAL B 9 24.745 -42.140 -14.058 1.00 35.91 O ATOM 468 CB VAL B 9 26.679 -44.177 -12.465 1.00 37.69 C ATOM 469 CG1 VAL B 9 27.771 -44.366 -11.401 1.00 38.65 C ATOM 470 CG2 VAL B 9 25.281 -44.476 -11.923 1.00 37.45 C ATOM 471 H VAL B 9 25.520 -41.570 -11.689 1.00 0.00 H ATOM 472 N CYS B 10 26.258 -43.215 -15.354 1.00 39.35 N ATOM 473 CA CYS B 10 25.432 -43.244 -16.567 1.00 38.06 C ATOM 474 C CYS B 10 25.542 -44.592 -17.268 1.00 39.52 C ATOM 475 O CYS B 10 26.597 -45.257 -17.238 1.00 39.08 O ATOM 476 CB CYS B 10 25.763 -42.109 -17.556 1.00 38.42 C ATOM 477 SG CYS B 10 25.756 -40.418 -16.866 1.00 37.60 S ATOM 478 H CYS B 10 27.209 -43.635 -15.386 1.00 0.00 H ATOM 479 N ASP B 11 24.441 -44.948 -17.938 1.00 39.16 N ATOM 480 CA ASP B 11 24.220 -46.254 -18.498 1.00 40.49 C ATOM 481 C ASP B 11 23.875 -46.160 -19.998 1.00 40.24 C ATOM 482 O ASP B 11 22.840 -45.594 -20.355 1.00 41.00 O ATOM 483 CB ASP B 11 23.050 -46.840 -17.736 1.00 42.10 C ATOM 484 CG ASP B 11 22.860 -48.316 -17.989 1.00 43.80 C ATOM 485 OD1 ASP B 11 23.072 -48.818 -19.126 1.00 41.46 O ATOM 486 OD2 ASP B 11 22.481 -48.961 -17.007 1.00 47.35 O ATOM 487 H ASP B 11 23.696 -44.234 -18.062 1.00 0.00 H ATOM 488 N GLY B 12 24.742 -46.711 -20.852 1.00 40.07 N ATOM 489 CA GLY B 12 24.522 -46.736 -22.300 1.00 40.62 C ATOM 490 C GLY B 12 23.584 -47.825 -22.802 1.00 42.63 C ATOM 491 O GLY B 12 23.261 -47.832 -23.959 1.00 42.46 O ATOM 492 H GLY B 12 25.610 -47.140 -20.473 1.00 0.00 H ATOM 493 N ASP B 13 23.170 -48.748 -21.937 1.00 44.20 N ATOM 494 CA ASP B 13 22.124 -49.722 -22.254 1.00 47.05 C ATOM 495 C ASP B 13 20.734 -49.118 -22.043 1.00 46.37 C ATOM 496 O ASP B 13 19.853 -49.373 -22.849 1.00 46.10 O ATOM 497 CB ASP B 13 22.234 -51.004 -21.397 1.00 49.12 C ATOM 498 CG ASP B 13 23.469 -51.873 -21.734 1.00 53.35 C ATOM 499 OD1 ASP B 13 24.167 -51.583 -22.746 1.00 53.68 O ATOM 500 OD2 ASP B 13 23.709 -52.893 -20.991 1.00 56.75 O ATOM 501 H ASP B 13 23.609 -48.779 -20.995 1.00 0.00 H ATOM 502 N THR B 14 20.524 -48.364 -20.955 1.00 44.80 N ATOM 503 CA THR B 14 19.194 -47.835 -20.617 1.00 43.85 C ATOM 504 C THR B 14 19.041 -46.380 -21.050 1.00 41.97 C ATOM 505 O THR B 14 17.926 -45.824 -20.987 1.00 41.57 O ATOM 506 CB THR B 14 18.888 -47.948 -19.091 1.00 44.93 C ATOM 507 OG1 THR B 14 19.941 -47.342 -18.335 1.00 44.44 O ATOM 508 CG2 THR B 14 18.762 -49.391 -18.673 1.00 47.44 C ATOM 509 HG1 THR B 14 19.738 -47.418 -17.369 1.00 0.00 H ATOM 510 H THR B 14 21.326 -48.146 -20.330 1.00 0.00 H ATOM 511 N TYR B 15 20.151 -45.742 -21.443 1.00 40.30 N ATOM 512 CA TYR B 15 20.145 -44.321 -21.755 1.00 39.63 C ATOM 513 C TYR B 15 19.587 -43.506 -20.595 1.00 39.25 C ATOM 514 O TYR B 15 18.683 -42.688 -20.757 1.00 36.94 O ATOM 515 CB TYR B 15 19.371 -44.071 -23.037 1.00 39.95 C ATOM 516 CG TYR B 15 20.062 -44.649 -24.242 1.00 40.86 C ATOM 517 CD1 TYR B 15 19.865 -45.982 -24.622 1.00 42.15 C ATOM 518 CD2 TYR B 15 20.912 -43.853 -25.030 1.00 41.07 C ATOM 519 CE1 TYR B 15 20.484 -46.508 -25.764 1.00 42.74 C ATOM 520 CE2 TYR B 15 21.526 -44.368 -26.166 1.00 41.54 C ATOM 521 CZ TYR B 15 21.308 -45.695 -26.532 1.00 42.09 C ATOM 522 OH TYR B 15 21.926 -46.207 -27.655 1.00 42.96 O ATOM 523 HH TYR B 15 21.666 -47.155 -27.770 1.00 0.00 H ATOM 524 H TYR B 15 21.040 -46.276 -21.527 1.00 0.00 H ATOM 525 N LYS B 16 20.151 -43.757 -19.418 1.00 39.46 N ATOM 526 CA LYS B 16 19.874 -42.951 -18.201 1.00 40.72 C ATOM 527 C LYS B 16 21.122 -42.634 -17.407 1.00 40.24 C ATOM 528 O LYS B 16 22.019 -43.469 -17.296 1.00 39.53 O ATOM 529 CB LYS B 16 18.905 -43.706 -17.273 1.00 43.02 C ATOM 530 CG LYS B 16 17.507 -43.827 -17.914 1.00 44.88 C ATOM 531 CD LYS B 16 16.498 -44.530 -17.034 1.00 47.76 C ATOM 532 CE LYS B 16 15.089 -44.553 -17.668 1.00 51.61 C ATOM 533 NZ LYS B 16 14.486 -43.161 -17.708 1.00 51.76 N ATOM 534 HZ1 LYS B 16 14.410 -42.790 -16.740 1.00 0.00 H ATOM 535 HZ2 LYS B 16 15.096 -42.536 -18.273 1.00 0.00 H ATOM 536 HZ3 LYS B 16 13.540 -43.206 -18.138 1.00 0.00 H ATOM 537 H LYS B 16 20.816 -44.553 -19.346 1.00 0.00 H ATOM 538 N CYS B 17 21.161 -41.443 -16.815 1.00 39.42 N ATOM 539 CA CYS B 17 22.105 -41.221 -15.715 1.00 38.60 C ATOM 540 C CYS B 17 21.361 -41.281 -14.379 1.00 39.22 C ATOM 541 O CYS B 17 20.170 -40.959 -14.289 1.00 39.94 O ATOM 542 CB CYS B 17 22.862 -39.909 -15.840 1.00 38.76 C ATOM 543 SG CYS B 17 23.886 -39.628 -17.303 1.00 37.33 S ATOM 544 H CYS B 17 20.529 -40.679 -17.129 1.00 0.00 H ATOM 545 N THR B 18 22.099 -41.697 -13.354 1.00 37.30 N ATOM 546 CA THR B 18 21.585 -41.901 -12.006 1.00 36.96 C ATOM 547 C THR B 18 22.544 -41.176 -11.029 1.00 34.48 C ATOM 548 O THR B 18 23.747 -41.427 -11.005 1.00 32.39 O ATOM 549 CB THR B 18 21.523 -43.393 -11.650 1.00 38.72 C ATOM 550 OG1 THR B 18 20.903 -44.145 -12.705 1.00 39.64 O ATOM 551 CG2 THR B 18 20.745 -43.626 -10.349 1.00 39.25 C ATOM 552 HG1 THR B 18 21.427 -44.037 -13.538 1.00 0.00 H ATOM 553 H THR B 18 23.107 -41.889 -13.525 1.00 0.00 H ATOM 554 N ALA B 19 21.982 -40.235 -10.288 1.00 34.36 N ATOM 555 CA ALA B 19 22.704 -39.457 -9.301 1.00 34.73 C ATOM 556 C ALA B 19 22.301 -39.899 -7.904 1.00 34.68 C ATOM 557 O ALA B 19 21.166 -39.722 -7.506 1.00 34.72 O ATOM 558 CB ALA B 19 22.406 -37.994 -9.489 1.00 34.06 C ATOM 559 H ALA B 19 20.968 -40.043 -10.421 1.00 0.00 H ATOM 560 N TYR B 20 23.229 -40.480 -7.165 1.00 37.50 N ATOM 561 CA TYR B 20 22.917 -40.969 -5.795 1.00 39.02 C ATOM 562 C TYR B 20 22.946 -39.740 -4.925 1.00 37.38 C ATOM 563 O TYR B 20 23.775 -38.862 -5.154 1.00 37.55 O ATOM 564 CB TYR B 20 23.899 -42.039 -5.313 1.00 42.43 C ATOM 565 CG TYR B 20 23.817 -43.355 -6.090 1.00 45.14 C ATOM 566 CD1 TYR B 20 24.556 -43.522 -7.246 1.00 46.14 C ATOM 567 CD2 TYR B 20 23.021 -44.423 -5.670 1.00 48.12 C ATOM 568 CE1 TYR B 20 24.487 -44.684 -8.002 1.00 47.76 C ATOM 569 CE2 TYR B 20 22.964 -45.608 -6.420 1.00 50.65 C ATOM 570 CZ TYR B 20 23.704 -45.710 -7.593 1.00 50.84 C ATOM 571 OH TYR B 20 23.744 -46.822 -8.397 1.00 55.14 O ATOM 572 HH TYR B 20 24.339 -46.648 -9.169 1.00 0.00 H ATOM 573 H TYR B 20 24.190 -40.597 -7.546 1.00 0.00 H ATOM 574 N LEU B 21 21.998 -39.642 -3.997 1.00 37.54 N ATOM 575 CA LEU B 21 21.747 -38.432 -3.225 1.00 37.20 C ATOM 576 C LEU B 21 22.113 -38.546 -1.743 1.00 40.43 C ATOM 577 O LEU B 21 21.895 -39.608 -1.103 1.00 39.36 O ATOM 578 CB LEU B 21 20.268 -38.034 -3.320 1.00 37.01 C ATOM 579 CG LEU B 21 19.707 -37.811 -4.733 1.00 36.47 C ATOM 580 CD1 LEU B 21 18.252 -37.370 -4.667 1.00 36.31 C ATOM 581 CD2 LEU B 21 20.560 -36.818 -5.553 1.00 35.49 C ATOM 582 H LEU B 21 21.403 -40.475 -3.812 1.00 0.00 H ATOM 583 N ASP B 22 22.627 -37.428 -1.195 1.00 39.81 N ATOM 584 CA ASP B 22 23.093 -37.375 0.180 1.00 41.25 C ATOM 585 C ASP B 22 21.883 -37.042 1.044 1.00 41.72 C ATOM 586 O ASP B 22 21.680 -35.899 1.452 1.00 41.28 O ATOM 587 CB ASP B 22 24.244 -36.374 0.383 1.00 40.96 C ATOM 588 CG ASP B 22 24.990 -36.588 1.730 1.00 42.62 C ATOM 589 OD1 ASP B 22 24.454 -37.299 2.595 1.00 40.83 O ATOM 590 OD2 ASP B 22 26.110 -36.030 1.943 1.00 46.11 O ATOM 591 H ASP B 22 22.693 -36.570 -1.779 1.00 0.00 H ATOM 592 N PHE B 23 21.074 -38.075 1.299 1.00 41.44 N ATOM 593 CA PHE B 23 19.781 -37.885 1.924 1.00 40.48 C ATOM 594 C PHE B 23 19.260 -39.167 2.527 1.00 40.59 C ATOM 595 O PHE B 23 19.332 -40.217 1.905 1.00 40.97 O ATOM 596 CB PHE B 23 18.781 -37.391 0.895 1.00 40.25 C ATOM 597 CG PHE B 23 17.415 -37.162 1.463 1.00 42.38 C ATOM 598 CD1 PHE B 23 17.158 -36.059 2.267 1.00 43.20 C ATOM 599 CD2 PHE B 23 16.393 -38.060 1.220 1.00 44.09 C ATOM 600 CE1 PHE B 23 15.895 -35.842 2.821 1.00 44.76 C ATOM 601 CE2 PHE B 23 15.137 -37.872 1.789 1.00 46.68 C ATOM 602 CZ PHE B 23 14.883 -36.753 2.573 1.00 46.67 C ATOM 603 H PHE B 23 21.379 -39.036 1.043 1.00 0.00 H ATOM 604 N GLY B 24 18.705 -39.067 3.713 1.00 40.93 N ATOM 605 CA GLY B 24 18.029 -40.180 4.352 1.00 43.20 C ATOM 606 C GLY B 24 18.890 -41.422 4.428 1.00 44.83 C ATOM 607 O GLY B 24 20.058 -41.375 4.825 1.00 45.66 O ATOM 608 H GLY B 24 18.752 -38.156 4.213 1.00 0.00 H ATOM 609 N ASP B 25 18.333 -42.527 3.970 1.00 47.03 N ATOM 610 CA ASP B 25 18.956 -43.820 4.167 1.00 48.69 C ATOM 611 C ASP B 25 20.044 -44.148 3.176 1.00 48.01 C ATOM 612 O ASP B 25 20.642 -45.215 3.255 1.00 48.48 O ATOM 613 CB ASP B 25 17.880 -44.910 4.196 1.00 52.18 C ATOM 614 CG ASP B 25 17.183 -45.107 2.863 1.00 51.65 C ATOM 615 OD1 ASP B 25 17.528 -44.401 1.904 1.00 50.01 O ATOM 616 OD2 ASP B 25 16.276 -45.983 2.796 1.00 53.43 O ATOM 617 H ASP B 25 17.430 -42.469 3.458 1.00 0.00 H ATOM 618 N GLY B 26 20.286 -43.251 2.225 1.00 45.99 N ATOM 619 CA GLY B 26 21.295 -43.484 1.227 1.00 46.65 C ATOM 620 C GLY B 26 20.787 -44.069 -0.081 1.00 47.14 C ATOM 621 O GLY B 26 21.557 -44.184 -1.026 1.00 45.54 O ATOM 622 H GLY B 26 19.737 -42.368 2.202 1.00 0.00 H ATOM 623 N ARG B 27 19.498 -44.411 -0.160 1.00 47.60 N ATOM 624 CA ARG B 27 18.986 -45.132 -1.314 1.00 47.80 C ATOM 625 C ARG B 27 18.077 -44.286 -2.209 1.00 47.09 C ATOM 626 O ARG B 27 17.371 -44.838 -3.080 1.00 48.78 O ATOM 627 CB ARG B 27 18.305 -46.453 -0.853 1.00 48.89 C ATOM 628 CG ARG B 27 19.310 -47.530 -0.459 1.00 49.59 C ATOM 629 H ARG B 27 18.852 -44.158 0.615 1.00 0.00 H ATOM 630 N TRP B 28 18.082 -42.973 -2.026 1.00 43.49 N ATOM 631 CA TRP B 28 17.368 -42.075 -2.928 1.00 41.79 C ATOM 632 C TRP B 28 18.278 -41.689 -4.095 1.00 41.63 C ATOM 633 O TRP B 28 19.483 -41.470 -3.913 1.00 40.68 O ATOM 634 CB TRP B 28 16.933 -40.806 -2.202 1.00 41.46 C ATOM 635 CG TRP B 28 15.948 -41.067 -1.110 1.00 42.64 C ATOM 636 CD1 TRP B 28 16.213 -41.497 0.153 1.00 43.14 C ATOM 637 CD2 TRP B 28 14.544 -40.927 -1.200 1.00 43.23 C ATOM 638 NE1 TRP B 28 15.061 -41.610 0.857 1.00 44.77 N ATOM 639 CE2 TRP B 28 14.012 -41.273 0.049 1.00 44.37 C ATOM 640 CE3 TRP B 28 13.672 -40.573 -2.232 1.00 43.21 C ATOM 641 CZ2 TRP B 28 12.640 -41.283 0.300 1.00 46.41 C ATOM 642 CZ3 TRP B 28 12.305 -40.574 -1.979 1.00 44.64 C ATOM 643 CH2 TRP B 28 11.806 -40.921 -0.728 1.00 45.96 C ATOM 644 HE1 TRP B 28 14.987 -41.905 1.851 1.00 0.00 H ATOM 645 H TRP B 28 18.607 -42.574 -1.222 1.00 0.00 H ATOM 646 N VAL B 29 17.696 -41.609 -5.291 1.00 40.68 N ATOM 647 CA VAL B 29 18.436 -41.261 -6.480 1.00 39.42 C ATOM 648 C VAL B 29 17.672 -40.231 -7.292 1.00 37.88 C ATOM 649 O VAL B 29 16.455 -40.146 -7.241 1.00 38.25 O ATOM 650 CB VAL B 29 18.729 -42.485 -7.374 1.00 40.27 C ATOM 651 CG1 VAL B 29 19.555 -43.546 -6.660 1.00 40.09 C ATOM 652 CG2 VAL B 29 17.448 -43.054 -7.994 1.00 40.64 C ATOM 653 H VAL B 29 16.677 -41.803 -5.370 1.00 0.00 H ATOM 654 N ALA B 30 18.396 -39.443 -8.047 1.00 36.67 N ATOM 655 CA ALA B 30 17.792 -38.713 -9.169 1.00 36.71 C ATOM 656 C ALA B 30 18.164 -39.441 -10.432 1.00 36.17 C ATOM 657 O ALA B 30 19.259 -39.972 -10.549 1.00 36.14 O ATOM 658 CB ALA B 30 18.279 -37.265 -9.244 1.00 35.13 C ATOM 659 H ALA B 30 19.411 -39.333 -7.850 1.00 0.00 H ATOM 660 N GLN B 31 17.253 -39.487 -11.387 1.00 37.49 N ATOM 661 CA GLN B 31 17.506 -40.260 -12.619 1.00 37.52 C ATOM 662 C GLN B 31 16.842 -39.544 -13.771 1.00 37.72 C ATOM 663 O GLN B 31 15.676 -39.131 -13.652 1.00 36.99 O ATOM 664 CB GLN B 31 16.964 -41.672 -12.502 1.00 39.68 C ATOM 665 CG GLN B 31 17.465 -42.618 -13.570 1.00 41.39 C ATOM 666 CD GLN B 31 16.924 -43.984 -13.361 1.00 43.53 C ATOM 667 OE1 GLN B 31 15.709 -44.203 -13.556 1.00 46.08 O ATOM 668 NE2 GLN B 31 17.790 -44.915 -12.924 1.00 41.47 N ATOM 669 HE22 GLN B 31 18.790 -44.669 -12.782 1.00 0.00 H ATOM 670 HE21 GLN B 31 17.460 -45.882 -12.728 1.00 0.00 H ATOM 671 H GLN B 31 16.354 -38.977 -11.271 1.00 0.00 H ATOM 672 N TRP B 32 17.593 -39.375 -14.858 1.00 35.07 N ATOM 673 CA TRP B 32 17.060 -38.718 -16.041 1.00 36.66 C ATOM 674 C TRP B 32 17.524 -39.407 -17.323 1.00 35.74 C ATOM 675 O TRP B 32 18.576 -40.048 -17.374 1.00 36.05 O ATOM 676 CB TRP B 32 17.420 -37.193 -16.050 1.00 36.30 C ATOM 677 CG TRP B 32 18.899 -36.917 -16.034 1.00 35.64 C ATOM 678 CD1 TRP B 32 19.698 -36.761 -17.122 1.00 36.98 C ATOM 679 CD2 TRP B 32 19.766 -36.795 -14.881 1.00 35.21 C ATOM 680 NE1 TRP B 32 21.007 -36.550 -16.736 1.00 36.98 N ATOM 681 CE2 TRP B 32 21.077 -36.588 -15.364 1.00 35.55 C ATOM 682 CE3 TRP B 32 19.565 -36.884 -13.507 1.00 35.84 C ATOM 683 CZ2 TRP B 32 22.173 -36.407 -14.520 1.00 35.25 C ATOM 684 CZ3 TRP B 32 20.646 -36.723 -12.657 1.00 35.70 C ATOM 685 CH2 TRP B 32 21.941 -36.479 -13.161 1.00 37.22 C ATOM 686 HE1 TRP B 32 21.809 -36.389 -17.378 1.00 0.00 H ATOM 687 H TRP B 32 18.575 -39.718 -14.861 1.00 0.00 H ATOM 688 N ASP B 33 16.763 -39.174 -18.374 1.00 37.69 N ATOM 689 CA ASP B 33 17.089 -39.660 -19.695 1.00 39.27 C ATOM 690 C ASP B 33 18.264 -38.934 -20.292 1.00 37.59 C ATOM 691 O ASP B 33 18.387 -37.727 -20.147 1.00 38.00 O ATOM 692 CB ASP B 33 15.916 -39.496 -20.652 1.00 41.91 C ATOM 693 CG ASP B 33 14.736 -40.379 -20.293 1.00 45.35 C ATOM 694 OD1 ASP B 33 14.962 -41.537 -19.824 1.00 44.30 O ATOM 695 OD2 ASP B 33 13.577 -39.898 -20.522 1.00 47.88 O ATOM 696 H ASP B 33 15.893 -38.618 -18.247 1.00 0.00 H ATOM 697 N THR B 34 19.106 -39.682 -20.991 1.00 37.22 N ATOM 698 CA THR B 34 20.284 -39.128 -21.627 1.00 37.24 C ATOM 699 C THR B 34 20.592 -39.759 -22.985 1.00 37.69 C ATOM 700 O THR B 34 20.332 -40.929 -23.203 1.00 39.53 O ATOM 701 CB THR B 34 21.510 -39.258 -20.699 1.00 36.40 C ATOM 702 OG1 THR B 34 22.626 -38.604 -21.301 1.00 38.79 O ATOM 703 CG2 THR B 34 21.847 -40.688 -20.374 1.00 36.10 C ATOM 704 HG1 THR B 34 22.823 -39.027 -22.174 1.00 0.00 H ATOM 705 H THR B 34 18.915 -40.700 -21.086 1.00 0.00 H ATOM 706 N ASN B 35 21.191 -38.990 -23.875 1.00 36.89 N ATOM 707 CA ASN B 35 21.878 -39.567 -25.011 1.00 37.31 C ATOM 708 C ASN B 35 23.208 -40.153 -24.542 1.00 36.29 C ATOM 709 O ASN B 35 23.763 -39.738 -23.493 1.00 37.40 O ATOM 710 CB ASN B 35 22.065 -38.524 -26.117 1.00 38.47 C ATOM 711 CG ASN B 35 22.314 -39.149 -27.507 1.00 41.65 C ATOM 712 OD1 ASN B 35 22.103 -40.378 -27.728 1.00 42.98 O ATOM 713 ND2 ASN B 35 22.731 -38.301 -28.465 1.00 41.83 N ATOM 714 HD22 ASN B 35 22.892 -37.299 -28.238 1.00 0.00 H ATOM 715 HD21 ASN B 35 22.893 -38.648 -29.432 1.00 0.00 H ATOM 716 H ASN B 35 21.169 -37.957 -23.759 1.00 0.00 H ATOM 717 N VAL B 36 23.707 -41.135 -25.272 1.00 34.76 N ATOM 718 CA VAL B 36 25.007 -41.742 -24.989 1.00 36.62 C ATOM 719 C VAL B 36 25.562 -42.139 -26.324 1.00 39.24 C ATOM 720 O VAL B 36 24.829 -42.716 -27.161 1.00 41.75 O ATOM 721 CB VAL B 36 24.909 -43.019 -24.115 1.00 37.70 C ATOM 722 CG1 VAL B 36 26.303 -43.673 -23.932 1.00 37.56 C ATOM 723 CG2 VAL B 36 24.232 -42.721 -22.781 1.00 36.72 C ATOM 724 H VAL B 36 23.154 -41.490 -26.078 1.00 0.00 H ATOM 725 N PHE B 37 26.829 -41.830 -26.558 1.00 38.71 N ATOM 726 CA PHE B 37 27.454 -42.156 -27.820 1.00 39.57 C ATOM 727 C PHE B 37 28.970 -42.047 -27.709 1.00 40.18 C ATOM 728 O PHE B 37 29.521 -41.430 -26.749 1.00 39.50 O ATOM 729 CB PHE B 37 26.945 -41.200 -28.950 1.00 40.20 C ATOM 730 CG PHE B 37 27.294 -39.747 -28.733 1.00 39.40 C ATOM 731 CD1 PHE B 37 26.496 -38.930 -27.946 1.00 38.46 C ATOM 732 CD2 PHE B 37 28.454 -39.212 -29.269 1.00 41.47 C ATOM 733 CE1 PHE B 37 26.799 -37.618 -27.755 1.00 38.27 C ATOM 734 CE2 PHE B 37 28.779 -37.872 -29.080 1.00 41.69 C ATOM 735 CZ PHE B 37 27.960 -37.073 -28.307 1.00 40.37 C ATOM 736 H PHE B 37 27.382 -41.346 -25.823 1.00 0.00 H ATOM 737 N HIS B 38 29.622 -42.641 -28.700 1.00 39.78 N ATOM 738 CA HIS B 38 31.082 -42.690 -28.840 1.00 41.82 C ATOM 739 C HIS B 38 31.543 -41.484 -29.622 1.00 43.23 C ATOM 740 O HIS B 38 31.015 -41.223 -30.675 1.00 44.63 O ATOM 741 CB HIS B 38 31.460 -43.961 -29.580 1.00 42.42 C ATOM 742 CG HIS B 38 32.922 -44.253 -29.588 1.00 43.11 C ATOM 743 ND1 HIS B 38 33.717 -44.037 -30.689 1.00 45.01 N ATOM 744 CD2 HIS B 38 33.726 -44.786 -28.643 1.00 43.31 C ATOM 745 CE1 HIS B 38 34.954 -44.411 -30.411 1.00 46.22 C ATOM 746 NE2 HIS B 38 34.987 -44.852 -29.168 1.00 45.31 N ATOM 747 H HIS B 38 29.054 -43.108 -29.435 1.00 0.00 H ATOM 748 N THR B 39 32.491 -40.727 -29.094 1.00 46.03 N ATOM 749 CA THR B 39 32.870 -39.436 -29.689 1.00 50.06 C ATOM 750 C THR B 39 34.066 -39.617 -30.590 1.00 57.08 C ATOM 751 O THR B 39 34.747 -40.648 -30.552 1.00 57.79 O ATOM 752 CB THR B 39 33.252 -38.391 -28.635 1.00 47.68 C ATOM 753 OG1 THR B 39 34.407 -38.839 -27.941 1.00 47.85 O ATOM 754 CG2 THR B 39 32.128 -38.164 -27.622 1.00 46.57 C ATOM 755 HG1 THR B 39 34.211 -39.704 -27.500 1.00 0.00 H ATOM 756 H THR B 39 32.981 -41.053 -28.236 1.00 0.00 H ATOM 757 N GLY B 40 34.325 -38.588 -31.394 1.00 51.04 N ATOM 758 CA GLY B 40 35.406 -38.608 -32.373 1.00 51.94 C ATOM 759 C GLY B 40 34.940 -39.371 -33.610 1.00 59.72 C ATOM 760 O GLY B 40 35.662 -39.470 -34.608 1.00 60.87 O ATOM 761 OXT GLY B 40 33.829 -39.930 -33.656 1.00 55.44 O ATOM 762 H GLY B 40 33.733 -37.736 -31.321 1.00 0.00 H TER 763 GLY B 40 ATOM 764 N ALA C 1 26.415 -52.189 -15.749 1.00 56.32 N ATOM 765 CA ALA C 1 26.047 -51.363 -16.958 1.00 54.91 C ATOM 766 C ALA C 1 26.158 -49.861 -16.679 1.00 50.70 C ATOM 767 O ALA C 1 26.672 -49.134 -17.542 1.00 47.84 O ATOM 768 CB ALA C 1 24.661 -51.740 -17.499 1.00 57.00 C ATOM 769 HN3 ALA C 1 25.775 -51.955 -14.963 1.00 0.00 H ATOM 770 HN2 ALA C 1 27.396 -51.980 -15.473 1.00 0.00 H ATOM 771 HN1 ALA C 1 26.326 -53.199 -15.981 1.00 0.00 H ATOM 772 N PRO C 2 25.705 -49.386 -15.486 1.00 49.45 N ATOM 773 CA PRO C 2 26.041 -48.018 -15.112 1.00 45.91 C ATOM 774 C PRO C 2 27.521 -47.922 -14.859 1.00 43.30 C ATOM 775 O PRO C 2 28.056 -48.710 -14.093 1.00 46.27 O ATOM 776 CB PRO C 2 25.238 -47.778 -13.835 1.00 47.79 C ATOM 777 CG PRO C 2 24.196 -48.821 -13.803 1.00 49.69 C ATOM 778 CD PRO C 2 24.800 -49.992 -14.497 1.00 51.32 C ATOM 779 N VAL C 3 28.166 -46.966 -15.505 1.00 41.07 N ATOM 780 CA VAL C 3 29.572 -46.690 -15.309 1.00 40.74 C ATOM 781 C VAL C 3 29.852 -45.298 -14.718 1.00 39.61 C ATOM 782 O VAL C 3 29.047 -44.362 -14.887 1.00 37.88 O ATOM 783 CB VAL C 3 30.358 -46.858 -16.616 1.00 40.45 C ATOM 784 CG1 VAL C 3 30.327 -48.341 -17.044 1.00 41.59 C ATOM 785 CG2 VAL C 3 29.845 -45.928 -17.713 1.00 39.53 C ATOM 786 H VAL C 3 27.637 -46.385 -16.186 1.00 0.00 H ATOM 787 N PRO C 4 31.023 -45.163 -14.049 1.00 40.56 N ATOM 788 CA PRO C 4 31.379 -43.876 -13.453 1.00 40.44 C ATOM 789 C PRO C 4 31.690 -42.760 -14.463 1.00 38.84 C ATOM 790 O PRO C 4 31.981 -42.999 -15.651 1.00 37.45 O ATOM 791 CB PRO C 4 32.646 -44.195 -12.623 1.00 41.80 C ATOM 792 CG PRO C 4 32.833 -45.664 -12.658 1.00 42.74 C ATOM 793 CD PRO C 4 32.099 -46.158 -13.863 1.00 41.76 C ATOM 794 N VAL C 5 31.640 -41.549 -13.940 1.00 37.59 N ATOM 795 CA VAL C 5 31.869 -40.318 -14.690 1.00 37.50 C ATOM 796 C VAL C 5 33.249 -39.817 -14.328 1.00 37.66 C ATOM 797 O VAL C 5 33.595 -39.780 -13.170 1.00 39.42 O ATOM 798 CB VAL C 5 30.794 -39.300 -14.327 1.00 36.87 C ATOM 799 CG1 VAL C 5 31.097 -37.904 -14.890 1.00 38.22 C ATOM 800 CG2 VAL C 5 29.446 -39.811 -14.803 1.00 36.18 C ATOM 801 H VAL C 5 31.423 -41.467 -12.926 1.00 0.00 H ATOM 802 N THR C 6 34.039 -39.483 -15.329 1.00 36.83 N ATOM 803 CA THR C 6 35.381 -38.959 -15.129 1.00 38.88 C ATOM 804 C THR C 6 35.482 -37.446 -15.244 1.00 38.28 C ATOM 805 O THR C 6 36.492 -36.905 -14.883 1.00 41.00 O ATOM 806 CB THR C 6 36.330 -39.520 -16.192 1.00 40.22 C ATOM 807 OG1 THR C 6 35.799 -39.214 -17.476 1.00 40.05 O ATOM 808 CG2 THR C 6 36.442 -41.021 -16.064 1.00 42.04 C ATOM 809 HG1 THR C 6 34.904 -39.627 -17.569 1.00 0.00 H ATOM 810 H THR C 6 33.688 -39.599 -16.301 1.00 0.00 H ATOM 811 N LYS C 7 34.488 -36.784 -15.823 1.00 38.61 N ATOM 812 CA LYS C 7 34.482 -35.345 -16.012 1.00 38.25 C ATOM 813 C LYS C 7 33.056 -34.903 -16.333 1.00 36.47 C ATOM 814 O LYS C 7 32.359 -35.572 -17.107 1.00 34.25 O ATOM 815 CB LYS C 7 35.383 -34.965 -17.165 1.00 41.37 C ATOM 816 CG LYS C 7 35.429 -33.463 -17.380 1.00 44.28 C ATOM 817 CD LYS C 7 36.764 -33.045 -17.993 1.00 49.04 C ATOM 818 CE LYS C 7 36.781 -33.173 -19.500 1.00 50.06 C ATOM 819 NZ LYS C 7 36.967 -31.814 -20.078 1.00 52.99 N ATOM 820 HZ1 LYS C 7 36.182 -31.201 -19.779 1.00 0.00 H ATOM 821 HZ2 LYS C 7 37.867 -31.416 -19.742 1.00 0.00 H ATOM 822 HZ3 LYS C 7 36.982 -31.879 -21.116 1.00 0.00 H ATOM 823 H LYS C 7 33.667 -37.327 -16.160 1.00 0.00 H ATOM 824 N LEU C 8 32.590 -33.823 -15.718 1.00 33.65 N ATOM 825 CA LEU C 8 31.278 -33.303 -16.006 1.00 33.51 C ATOM 826 C LEU C 8 31.384 -31.849 -16.408 1.00 33.17 C ATOM 827 O LEU C 8 31.957 -31.025 -15.675 1.00 33.11 O ATOM 828 CB LEU C 8 30.365 -33.521 -14.829 1.00 33.55 C ATOM 829 CG LEU C 8 28.953 -32.961 -14.960 1.00 33.25 C ATOM 830 CD1 LEU C 8 28.114 -33.627 -16.048 1.00 34.05 C ATOM 831 CD2 LEU C 8 28.225 -33.082 -13.616 1.00 34.88 C ATOM 832 H LEU C 8 33.185 -33.342 -15.013 1.00 0.00 H ATOM 833 N VAL C 9 30.859 -31.537 -17.596 1.00 33.16 N ATOM 834 CA VAL C 9 30.827 -30.196 -18.111 1.00 32.45 C ATOM 835 C VAL C 9 29.431 -29.817 -18.594 1.00 33.75 C ATOM 836 O VAL C 9 28.569 -30.689 -18.856 1.00 34.38 O ATOM 837 CB VAL C 9 31.901 -29.947 -19.200 1.00 34.31 C ATOM 838 CG1 VAL C 9 33.310 -30.123 -18.660 1.00 35.34 C ATOM 839 CG2 VAL C 9 31.720 -30.804 -20.429 1.00 34.65 C ATOM 840 H VAL C 9 30.455 -32.300 -18.175 1.00 0.00 H ATOM 841 N CYS C 10 29.162 -28.513 -18.614 1.00 32.80 N ATOM 842 CA CYS C 10 27.970 -27.959 -19.224 1.00 32.92 C ATOM 843 C CYS C 10 28.306 -26.744 -20.084 1.00 33.29 C ATOM 844 O CYS C 10 29.358 -26.119 -19.943 1.00 32.62 O ATOM 845 CB CYS C 10 26.897 -27.637 -18.223 1.00 33.53 C ATOM 846 SG CYS C 10 26.387 -28.942 -17.055 1.00 36.14 S ATOM 847 H CYS C 10 29.840 -27.861 -18.171 1.00 0.00 H ATOM 848 N ASP C 11 27.396 -26.420 -20.986 1.00 33.61 N ATOM 849 CA ASP C 11 27.676 -25.501 -22.088 1.00 33.82 C ATOM 850 C ASP C 11 26.454 -24.653 -22.300 1.00 33.97 C ATOM 851 O ASP C 11 25.363 -25.165 -22.654 1.00 32.77 O ATOM 852 CB ASP C 11 28.058 -26.293 -23.320 1.00 34.64 C ATOM 853 CG ASP C 11 28.451 -25.458 -24.480 1.00 37.52 C ATOM 854 OD1 ASP C 11 27.900 -24.332 -24.683 1.00 38.23 O ATOM 855 OD2 ASP C 11 29.316 -25.944 -25.250 1.00 39.90 O ATOM 856 H ASP C 11 26.445 -26.834 -20.909 1.00 0.00 H ATOM 857 N GLY C 12 26.640 -23.344 -22.095 1.00 33.73 N ATOM 858 CA GLY C 12 25.569 -22.390 -22.261 1.00 34.13 C ATOM 859 C GLY C 12 25.317 -21.899 -23.677 1.00 35.06 C ATOM 860 O GLY C 12 24.391 -21.124 -23.884 1.00 35.84 O ATOM 861 H GLY C 12 27.581 -23.005 -21.809 1.00 0.00 H ATOM 862 N ASP C 13 26.124 -22.315 -24.641 1.00 37.87 N ATOM 863 CA ASP C 13 25.888 -21.999 -26.051 1.00 39.90 C ATOM 864 C ASP C 13 25.042 -23.116 -26.682 1.00 41.58 C ATOM 865 O ASP C 13 24.153 -22.838 -27.475 1.00 42.13 O ATOM 866 CB ASP C 13 27.200 -21.857 -26.833 1.00 42.31 C ATOM 867 CG ASP C 13 27.940 -20.513 -26.588 1.00 45.26 C ATOM 868 OD1 ASP C 13 27.531 -19.658 -25.775 1.00 45.41 O ATOM 869 OD2 ASP C 13 28.981 -20.304 -27.237 1.00 50.19 O ATOM 870 H ASP C 13 26.955 -22.887 -24.387 1.00 0.00 H ATOM 871 N THR C 14 25.337 -24.367 -26.341 1.00 39.80 N ATOM 872 CA THR C 14 24.615 -25.537 -26.880 1.00 39.92 C ATOM 873 C THR C 14 23.499 -26.004 -25.949 1.00 38.20 C ATOM 874 O THR C 14 22.712 -26.855 -26.352 1.00 36.95 O ATOM 875 CB THR C 14 25.518 -26.771 -27.135 1.00 39.55 C ATOM 876 OG1 THR C 14 26.084 -27.253 -25.918 1.00 38.75 O ATOM 877 CG2 THR C 14 26.634 -26.496 -28.139 1.00 41.95 C ATOM 878 HG1 THR C 14 26.655 -28.039 -26.109 1.00 0.00 H ATOM 879 H THR C 14 26.110 -24.529 -25.665 1.00 0.00 H ATOM 880 N TYR C 15 23.405 -25.433 -24.739 1.00 36.60 N ATOM 881 CA TYR C 15 22.451 -25.891 -23.719 1.00 34.96 C ATOM 882 C TYR C 15 22.492 -27.416 -23.579 1.00 34.56 C ATOM 883 O TYR C 15 21.468 -28.066 -23.653 1.00 33.41 O ATOM 884 CB TYR C 15 21.037 -25.411 -24.059 1.00 36.13 C ATOM 885 CG TYR C 15 20.899 -23.934 -23.923 1.00 37.63 C ATOM 886 CD1 TYR C 15 21.190 -23.069 -24.997 1.00 38.31 C ATOM 887 CD2 TYR C 15 20.526 -23.369 -22.702 1.00 36.79 C ATOM 888 CE1 TYR C 15 21.075 -21.701 -24.848 1.00 38.32 C ATOM 889 CE2 TYR C 15 20.427 -22.007 -22.547 1.00 37.46 C ATOM 890 CZ TYR C 15 20.698 -21.181 -23.604 1.00 37.84 C ATOM 891 OH TYR C 15 20.573 -19.837 -23.382 1.00 39.08 O ATOM 892 HH TYR C 15 20.793 -19.345 -24.212 1.00 0.00 H ATOM 893 H TYR C 15 24.032 -24.634 -24.514 1.00 0.00 H ATOM 894 N LYS C 16 23.693 -27.966 -23.424 1.00 35.62 N ATOM 895 CA LYS C 16 23.903 -29.345 -22.961 1.00 36.15 C ATOM 896 C LYS C 16 24.955 -29.521 -21.849 1.00 35.89 C ATOM 897 O LYS C 16 25.977 -28.826 -21.817 1.00 35.79 O ATOM 898 CB LYS C 16 24.389 -30.155 -24.139 1.00 39.79 C ATOM 899 CG LYS C 16 23.294 -30.468 -25.164 1.00 43.27 C ATOM 900 CD LYS C 16 23.844 -30.591 -26.560 1.00 45.45 C ATOM 901 CE LYS C 16 22.739 -30.817 -27.604 1.00 48.82 C ATOM 902 NZ LYS C 16 21.892 -31.958 -27.128 1.00 49.54 N ATOM 903 HZ1 LYS C 16 22.481 -32.810 -27.033 1.00 0.00 H ATOM 904 HZ2 LYS C 16 21.476 -31.718 -26.205 1.00 0.00 H ATOM 905 HZ3 LYS C 16 21.133 -32.135 -27.816 1.00 0.00 H ATOM 906 H LYS C 16 24.530 -27.388 -23.642 1.00 0.00 H ATOM 907 N CYS C 17 24.706 -30.466 -20.949 1.00 34.69 N ATOM 908 CA CYS C 17 25.751 -31.081 -20.166 1.00 34.07 C ATOM 909 C CYS C 17 26.262 -32.397 -20.778 1.00 33.80 C ATOM 910 O CYS C 17 25.515 -33.130 -21.376 1.00 34.06 O ATOM 911 CB CYS C 17 25.283 -31.313 -18.743 1.00 33.82 C ATOM 912 SG CYS C 17 24.719 -29.798 -17.913 1.00 34.15 S ATOM 913 H CYS C 17 23.723 -30.774 -20.803 1.00 0.00 H ATOM 914 N THR C 18 27.539 -32.668 -20.578 1.00 32.47 N ATOM 915 CA THR C 18 28.236 -33.833 -21.065 1.00 32.33 C ATOM 916 C THR C 18 29.034 -34.447 -19.859 1.00 32.67 C ATOM 917 O THR C 18 29.718 -33.727 -19.107 1.00 31.95 O ATOM 918 CB THR C 18 29.157 -33.440 -22.196 1.00 33.70 C ATOM 919 OG1 THR C 18 28.417 -32.690 -23.160 1.00 35.44 O ATOM 920 CG2 THR C 18 29.773 -34.632 -22.869 1.00 35.75 C ATOM 921 HG1 THR C 18 28.048 -31.877 -22.732 1.00 0.00 H ATOM 922 H THR C 18 28.089 -31.983 -20.022 1.00 0.00 H ATOM 923 N ALA C 19 28.910 -35.754 -19.700 1.00 31.94 N ATOM 924 CA ALA C 19 29.588 -36.548 -18.692 1.00 32.95 C ATOM 925 C ALA C 19 30.453 -37.506 -19.406 1.00 34.11 C ATOM 926 O ALA C 19 29.937 -38.313 -20.163 1.00 35.69 O ATOM 927 CB ALA C 19 28.542 -37.295 -17.837 1.00 33.16 C ATOM 928 H ALA C 19 28.273 -36.255 -20.352 1.00 0.00 H ATOM 929 N TYR C 20 31.761 -37.424 -19.237 1.00 35.02 N ATOM 930 CA TYR C 20 32.680 -38.344 -19.904 1.00 38.01 C ATOM 931 C TYR C 20 32.700 -39.608 -19.091 1.00 37.54 C ATOM 932 O TYR C 20 32.813 -39.526 -17.882 1.00 37.38 O ATOM 933 CB TYR C 20 34.093 -37.752 -19.929 1.00 41.01 C ATOM 934 CG TYR C 20 34.188 -36.569 -20.815 1.00 43.70 C ATOM 935 CD1 TYR C 20 33.525 -35.388 -20.524 1.00 45.28 C ATOM 936 CD2 TYR C 20 34.887 -36.619 -21.980 1.00 50.65 C ATOM 937 CE1 TYR C 20 33.579 -34.282 -21.344 1.00 46.09 C ATOM 938 CE2 TYR C 20 34.942 -35.495 -22.830 1.00 52.30 C ATOM 939 CZ TYR C 20 34.286 -34.332 -22.490 1.00 49.96 C ATOM 940 OH TYR C 20 34.367 -33.206 -23.295 1.00 53.57 O ATOM 941 HH TYR C 20 33.835 -32.475 -22.892 1.00 0.00 H ATOM 942 H TYR C 20 32.146 -36.686 -18.614 1.00 0.00 H ATOM 943 N LEU C 21 32.609 -40.768 -19.718 1.00 37.14 N ATOM 944 CA LEU C 21 32.430 -42.015 -18.996 1.00 36.11 C ATOM 945 C LEU C 21 33.669 -42.880 -18.905 1.00 37.10 C ATOM 946 O LEU C 21 34.490 -42.929 -19.805 1.00 37.39 O ATOM 947 CB LEU C 21 31.274 -42.773 -19.618 1.00 37.39 C ATOM 948 CG LEU C 21 29.960 -42.008 -19.845 1.00 35.46 C ATOM 949 CD1 LEU C 21 28.918 -42.920 -20.464 1.00 36.26 C ATOM 950 CD2 LEU C 21 29.421 -41.468 -18.545 1.00 35.50 C ATOM 951 H LEU C 21 32.667 -40.788 -20.756 1.00 0.00 H ATOM 952 N ASP C 22 33.812 -43.565 -17.779 1.00 39.19 N ATOM 953 CA ASP C 22 34.909 -44.499 -17.559 1.00 41.80 C ATOM 954 C ASP C 22 34.447 -45.834 -18.151 1.00 43.47 C ATOM 955 O ASP C 22 33.791 -46.608 -17.488 1.00 43.72 O ATOM 956 CB ASP C 22 35.232 -44.608 -16.057 1.00 43.77 C ATOM 957 CG ASP C 22 36.455 -45.441 -15.765 1.00 47.16 C ATOM 958 OD1 ASP C 22 37.205 -45.807 -16.692 1.00 47.45 O ATOM 959 OD2 ASP C 22 36.684 -45.694 -14.567 1.00 50.57 O ATOM 960 H ASP C 22 33.112 -43.430 -17.021 1.00 0.00 H ATOM 961 N PHE C 23 34.773 -46.053 -19.415 1.00 43.81 N ATOM 962 CA PHE C 23 34.346 -47.220 -20.171 1.00 45.65 C ATOM 963 C PHE C 23 35.166 -47.345 -21.457 1.00 45.78 C ATOM 964 O PHE C 23 35.467 -46.325 -22.104 1.00 45.84 O ATOM 965 CB PHE C 23 32.844 -47.120 -20.543 1.00 45.64 C ATOM 966 CG PHE C 23 32.342 -48.316 -21.324 1.00 47.11 C ATOM 967 CD1 PHE C 23 32.147 -49.547 -20.692 1.00 47.91 C ATOM 968 CD2 PHE C 23 32.103 -48.221 -22.681 1.00 47.14 C ATOM 969 CE1 PHE C 23 31.714 -50.656 -21.397 1.00 49.26 C ATOM 970 CE2 PHE C 23 31.671 -49.330 -23.405 1.00 49.09 C ATOM 971 CZ PHE C 23 31.468 -50.545 -22.765 1.00 50.85 C ATOM 972 H PHE C 23 35.369 -45.350 -19.896 1.00 0.00 H ATOM 973 N GLY C 24 35.501 -48.588 -21.818 1.00 46.50 N ATOM 974 CA GLY C 24 36.091 -48.905 -23.113 1.00 47.46 C ATOM 975 C GLY C 24 37.324 -48.085 -23.431 1.00 48.39 C ATOM 976 O GLY C 24 38.228 -47.972 -22.596 1.00 49.51 O ATOM 977 H GLY C 24 35.333 -49.363 -21.145 1.00 0.00 H ATOM 978 N ASP C 25 37.360 -47.496 -24.623 1.00 47.82 N ATOM 979 CA ASP C 25 38.516 -46.685 -25.049 1.00 49.54 C ATOM 980 C ASP C 25 38.561 -45.268 -24.427 1.00 48.70 C ATOM 981 O ASP C 25 39.465 -44.482 -24.741 1.00 50.01 O ATOM 982 CB ASP C 25 38.587 -46.610 -26.587 1.00 51.32 C ATOM 983 CG ASP C 25 37.419 -45.843 -27.205 1.00 51.63 C ATOM 984 OD1 ASP C 25 36.490 -45.410 -26.426 1.00 47.90 O ATOM 985 OD2 ASP C 25 37.463 -45.670 -28.475 1.00 51.45 O ATOM 986 H ASP C 25 36.554 -47.610 -25.270 1.00 0.00 H ATOM 987 N GLY C 26 37.566 -44.948 -23.588 1.00 46.14 N ATOM 988 CA GLY C 26 37.483 -43.711 -22.865 1.00 46.26 C ATOM 989 C GLY C 26 36.783 -42.558 -23.549 1.00 45.63 C ATOM 990 O GLY C 26 36.727 -41.465 -22.963 1.00 44.71 O ATOM 991 H GLY C 26 36.804 -45.642 -23.452 1.00 0.00 H ATOM 992 N ARG C 27 36.259 -42.792 -24.766 1.00 44.94 N ATOM 993 CA ARG C 27 35.642 -41.745 -25.584 1.00 44.02 C ATOM 994 C ARG C 27 34.126 -41.708 -25.546 1.00 40.87 C ATOM 995 O ARG C 27 33.523 -40.942 -26.283 1.00 41.91 O ATOM 996 CB ARG C 27 36.111 -41.867 -27.027 1.00 47.67 C ATOM 997 CG ARG C 27 37.619 -42.035 -27.141 1.00 51.55 C ATOM 998 CD ARG C 27 38.185 -41.477 -28.445 1.00 56.55 C ATOM 999 NE ARG C 27 38.473 -42.523 -29.424 1.00 59.90 N ATOM 1000 CZ ARG C 27 38.011 -42.587 -30.684 1.00 62.46 C ATOM 1001 NH1 ARG C 27 38.372 -43.619 -31.415 1.00 63.11 N ATOM 1002 NH2 ARG C 27 37.197 -41.655 -31.236 1.00 63.11 N ATOM 1003 HE ARG C 27 39.098 -43.295 -29.115 1.00 0.00 H ATOM 1004 HH12 ARG C 27 38.035 -43.705 -32.395 1.00 0.00 H ATOM 1005 HH11 ARG C 27 38.994 -44.349 -31.013 1.00 0.00 H ATOM 1006 HH22 ARG C 27 36.874 -41.763 -32.219 1.00 0.00 H ATOM 1007 HH21 ARG C 27 36.895 -40.831 -30.677 1.00 0.00 H ATOM 1008 H ARG C 27 36.294 -43.761 -25.143 1.00 0.00 H ATOM 1009 N TRP C 28 33.510 -42.501 -24.688 1.00 38.72 N ATOM 1010 CA TRP C 28 32.054 -42.531 -24.555 1.00 38.68 C ATOM 1011 C TRP C 28 31.575 -41.399 -23.657 1.00 36.96 C ATOM 1012 O TRP C 28 32.148 -41.184 -22.586 1.00 37.52 O ATOM 1013 CB TRP C 28 31.565 -43.911 -24.003 1.00 39.48 C ATOM 1014 CG TRP C 28 31.863 -45.050 -24.941 1.00 41.80 C ATOM 1015 CD1 TRP C 28 33.035 -45.730 -25.055 1.00 42.82 C ATOM 1016 CD2 TRP C 28 30.976 -45.591 -25.927 1.00 42.96 C ATOM 1017 NE1 TRP C 28 32.929 -46.679 -26.059 1.00 44.90 N ATOM 1018 CE2 TRP C 28 31.671 -46.606 -26.607 1.00 45.18 C ATOM 1019 CE3 TRP C 28 29.658 -45.314 -26.298 1.00 43.93 C ATOM 1020 CZ2 TRP C 28 31.081 -47.360 -27.673 1.00 48.09 C ATOM 1021 CZ3 TRP C 28 29.065 -46.070 -27.361 1.00 45.34 C ATOM 1022 CH2 TRP C 28 29.780 -47.057 -28.025 1.00 46.74 C ATOM 1023 HE1 TRP C 28 33.679 -47.338 -26.350 1.00 0.00 H ATOM 1024 H TRP C 28 34.081 -43.127 -24.085 1.00 0.00 H ATOM 1025 N VAL C 29 30.537 -40.686 -24.076 1.00 36.97 N ATOM 1026 CA VAL C 29 29.893 -39.709 -23.239 1.00 36.05 C ATOM 1027 C VAL C 29 28.404 -39.908 -23.124 1.00 35.78 C ATOM 1028 O VAL C 29 27.789 -40.445 -23.997 1.00 35.69 O ATOM 1029 CB VAL C 29 30.155 -38.262 -23.735 1.00 37.46 C ATOM 1030 CG1 VAL C 29 31.641 -38.035 -23.899 1.00 39.18 C ATOM 1031 CG2 VAL C 29 29.438 -37.931 -25.056 1.00 39.72 C ATOM 1032 H VAL C 29 30.178 -40.838 -25.040 1.00 0.00 H ATOM 1033 N ALA C 30 27.849 -39.474 -22.004 1.00 34.77 N ATOM 1034 CA ALA C 30 26.437 -39.129 -21.893 1.00 34.60 C ATOM 1035 C ALA C 30 26.224 -37.613 -22.041 1.00 35.45 C ATOM 1036 O ALA C 30 26.956 -36.808 -21.464 1.00 36.39 O ATOM 1037 CB ALA C 30 25.881 -39.581 -20.561 1.00 34.40 C ATOM 1038 H ALA C 30 28.450 -39.374 -21.161 1.00 0.00 H ATOM 1039 N GLN C 31 25.181 -37.235 -22.767 1.00 36.02 N ATOM 1040 CA GLN C 31 24.871 -35.828 -23.042 1.00 35.28 C ATOM 1041 C GLN C 31 23.359 -35.592 -22.990 1.00 35.05 C ATOM 1042 O GLN C 31 22.571 -36.368 -23.600 1.00 36.76 O ATOM 1043 CB GLN C 31 25.440 -35.478 -24.412 1.00 36.38 C ATOM 1044 CG GLN C 31 25.435 -34.024 -24.752 1.00 37.38 C ATOM 1045 CD GLN C 31 26.111 -33.804 -26.092 1.00 38.94 C ATOM 1046 OE1 GLN C 31 25.487 -33.943 -27.114 1.00 40.04 O ATOM 1047 NE2 GLN C 31 27.399 -33.536 -26.078 1.00 39.79 N ATOM 1048 HE22 GLN C 31 27.897 -33.424 -25.172 1.00 0.00 H ATOM 1049 HE21 GLN C 31 27.919 -33.436 -26.973 1.00 0.00 H ATOM 1050 H GLN C 31 24.556 -37.968 -23.158 1.00 0.00 H ATOM 1051 N TRP C 32 22.920 -34.560 -22.284 1.00 33.16 N ATOM 1052 CA TRP C 32 21.501 -34.249 -22.183 1.00 34.61 C ATOM 1053 C TRP C 32 21.261 -32.742 -22.258 1.00 35.75 C ATOM 1054 O TRP C 32 22.156 -31.945 -21.961 1.00 34.11 O ATOM 1055 CB TRP C 32 20.924 -34.823 -20.875 1.00 36.56 C ATOM 1056 CG TRP C 32 21.592 -34.280 -19.564 1.00 35.07 C ATOM 1057 CD1 TRP C 32 21.170 -33.245 -18.810 1.00 36.18 C ATOM 1058 CD2 TRP C 32 22.767 -34.769 -18.945 1.00 35.20 C ATOM 1059 NE1 TRP C 32 22.009 -33.054 -17.724 1.00 36.25 N ATOM 1060 CE2 TRP C 32 22.992 -33.994 -17.776 1.00 35.51 C ATOM 1061 CE3 TRP C 32 23.639 -35.810 -19.232 1.00 35.42 C ATOM 1062 CZ2 TRP C 32 24.065 -34.208 -16.935 1.00 34.02 C ATOM 1063 CZ3 TRP C 32 24.705 -36.040 -18.380 1.00 34.87 C ATOM 1064 CH2 TRP C 32 24.913 -35.240 -17.246 1.00 34.87 C ATOM 1065 HE1 TRP C 32 21.906 -32.319 -16.995 1.00 0.00 H ATOM 1066 H TRP C 32 23.607 -33.956 -21.789 1.00 0.00 H ATOM 1067 N ASP C 33 20.051 -32.376 -22.660 1.00 36.20 N ATOM 1068 CA ASP C 33 19.597 -31.002 -22.723 1.00 36.86 C ATOM 1069 C ASP C 33 19.435 -30.398 -21.302 1.00 35.70 C ATOM 1070 O ASP C 33 18.975 -31.052 -20.383 1.00 33.41 O ATOM 1071 CB ASP C 33 18.240 -30.958 -23.392 1.00 39.47 C ATOM 1072 CG ASP C 33 18.293 -31.226 -24.909 1.00 42.05 C ATOM 1073 OD1 ASP C 33 19.341 -31.261 -25.578 1.00 42.43 O ATOM 1074 OD2 ASP C 33 17.225 -31.369 -25.449 1.00 46.23 O ATOM 1075 H ASP C 33 19.387 -33.122 -22.948 1.00 0.00 H ATOM 1076 N THR C 34 19.763 -29.126 -21.160 1.00 35.40 N ATOM 1077 CA THR C 34 19.643 -28.441 -19.868 1.00 35.03 C ATOM 1078 C THR C 34 19.310 -26.991 -20.115 1.00 35.38 C ATOM 1079 O THR C 34 19.690 -26.430 -21.170 1.00 35.56 O ATOM 1080 CB THR C 34 20.958 -28.544 -19.049 1.00 34.68 C ATOM 1081 OG1 THR C 34 20.799 -27.870 -17.779 1.00 38.63 O ATOM 1082 CG2 THR C 34 22.099 -27.885 -19.751 1.00 33.91 C ATOM 1083 HG1 THR C 34 20.585 -26.916 -17.937 1.00 0.00 H ATOM 1084 H THR C 34 20.115 -28.598 -21.984 1.00 0.00 H ATOM 1085 N ASN C 35 18.635 -26.368 -19.163 1.00 35.15 N ATOM 1086 CA ASN C 35 18.595 -24.924 -19.140 1.00 35.73 C ATOM 1087 C ASN C 35 19.918 -24.439 -18.546 1.00 34.62 C ATOM 1088 O ASN C 35 20.577 -25.184 -17.840 1.00 35.08 O ATOM 1089 CB ASN C 35 17.427 -24.447 -18.301 1.00 38.24 C ATOM 1090 CG ASN C 35 17.086 -22.981 -18.553 1.00 40.79 C ATOM 1091 OD1 ASN C 35 17.614 -22.352 -19.480 1.00 43.21 O ATOM 1092 ND2 ASN C 35 16.183 -22.431 -17.744 1.00 42.45 N ATOM 1093 HD22 ASN C 35 15.762 -22.992 -16.976 1.00 0.00 H ATOM 1094 HD21 ASN C 35 15.898 -21.440 -17.880 1.00 0.00 H ATOM 1095 H ASN C 35 18.135 -26.916 -18.434 1.00 0.00 H ATOM 1096 N VAL C 36 20.311 -23.211 -18.867 1.00 34.19 N ATOM 1097 CA VAL C 36 21.506 -22.582 -18.317 1.00 33.26 C ATOM 1098 C VAL C 36 21.188 -21.110 -18.081 1.00 34.37 C ATOM 1099 O VAL C 36 20.626 -20.446 -18.935 1.00 32.63 O ATOM 1100 CB VAL C 36 22.719 -22.651 -19.257 1.00 32.64 C ATOM 1101 CG1 VAL C 36 23.917 -21.906 -18.667 1.00 32.32 C ATOM 1102 CG2 VAL C 36 23.102 -24.086 -19.583 1.00 32.40 C ATOM 1103 H VAL C 36 19.737 -22.671 -19.545 1.00 0.00 H ATOM 1104 N PHE C 37 21.544 -20.597 -16.911 1.00 33.80 N ATOM 1105 CA PHE C 37 21.321 -19.179 -16.646 1.00 33.40 C ATOM 1106 C PHE C 37 22.093 -18.659 -15.449 1.00 32.71 C ATOM 1107 O PHE C 37 22.570 -19.417 -14.626 1.00 31.49 O ATOM 1108 CB PHE C 37 19.807 -18.936 -16.414 1.00 34.98 C ATOM 1109 CG PHE C 37 19.212 -19.808 -15.321 1.00 35.07 C ATOM 1110 CD1 PHE C 37 18.706 -21.073 -15.621 1.00 36.56 C ATOM 1111 CD2 PHE C 37 19.138 -19.374 -14.002 1.00 37.17 C ATOM 1112 CE1 PHE C 37 18.162 -21.889 -14.627 1.00 36.44 C ATOM 1113 CE2 PHE C 37 18.575 -20.199 -12.996 1.00 37.87 C ATOM 1114 CZ PHE C 37 18.099 -21.456 -13.311 1.00 36.50 C ATOM 1115 H PHE C 37 21.980 -21.202 -16.186 1.00 0.00 H ATOM 1116 N HIS C 38 22.191 -17.336 -15.370 1.00 32.81 N ATOM 1117 CA HIS C 38 22.818 -16.692 -14.250 1.00 33.81 C ATOM 1118 C HIS C 38 21.735 -16.448 -13.184 1.00 35.38 C ATOM 1119 O HIS C 38 20.605 -16.061 -13.495 1.00 35.90 O ATOM 1120 CB HIS C 38 23.434 -15.380 -14.681 1.00 33.00 C ATOM 1121 CG HIS C 38 24.046 -14.604 -13.564 1.00 32.13 C ATOM 1122 ND1 HIS C 38 23.384 -13.577 -12.922 1.00 31.74 N ATOM 1123 CD2 HIS C 38 25.271 -14.685 -12.989 1.00 31.99 C ATOM 1124 CE1 HIS C 38 24.175 -13.069 -12.001 1.00 32.44 C ATOM 1125 NE2 HIS C 38 25.328 -13.704 -12.033 1.00 32.81 N ATOM 1126 H HIS C 38 21.804 -16.752 -16.139 1.00 0.00 H ATOM 1127 N THR C 39 22.100 -16.683 -11.946 1.00 35.33 N ATOM 1128 CA THR C 39 21.213 -16.478 -10.805 1.00 38.94 C ATOM 1129 C THR C 39 21.697 -15.197 -10.124 1.00 43.61 C ATOM 1130 O THR C 39 22.875 -14.863 -10.176 1.00 39.18 O ATOM 1131 CB THR C 39 21.253 -17.660 -9.826 1.00 39.37 C ATOM 1132 OG1 THR C 39 22.561 -17.798 -9.197 1.00 37.62 O ATOM 1133 CG2 THR C 39 20.915 -18.955 -10.589 1.00 38.52 C ATOM 1134 HG1 THR C 39 23.247 -17.948 -9.895 1.00 0.00 H ATOM 1135 H THR C 39 23.064 -17.031 -11.770 1.00 0.00 H ATOM 1136 N GLY C 40 20.758 -14.476 -9.535 1.00 41.67 N ATOM 1137 CA GLY C 40 21.057 -13.267 -8.768 1.00 44.51 C ATOM 1138 C GLY C 40 20.338 -12.062 -9.327 1.00 45.18 C ATOM 1139 O GLY C 40 20.716 -10.947 -8.966 1.00 44.94 O ATOM 1140 OXT GLY C 40 19.388 -12.168 -10.113 1.00 42.40 O ATOM 1141 H GLY C 40 19.767 -14.781 -9.621 1.00 0.00 H TER 1142 GLY C 40 HETATM 1143 O HOH 1 13.047 -26.706 -3.217 1.00 45.90 O HETATM 1144 O HOH 2 20.796 -18.140 -5.413 1.00 26.12 O HETATM 1145 O HOH 3 35.358 -21.360 -17.190 1.00 44.90 O HETATM 1146 O HOH 4 15.271 -24.520 -15.181 1.00 46.81 O HETATM 1147 O HOH 5 29.150 -19.729 -12.548 1.00 32.61 O HETATM 1148 O HOH 6 15.765 -33.980 -18.115 1.00 47.44 O HETATM 1149 O HOH 7 35.523 -10.398 -9.543 1.00 55.23 O HETATM 1150 O HOH 8 8.953 -40.476 -7.064 1.00 54.56 O HETATM 1151 O HOH 9 23.613 -14.169 -6.234 1.00 43.60 O HETATM 1152 O HOH 10 30.392 -22.406 -9.177 1.00 41.98 O HETATM 1153 O HOH 11 17.932 -28.476 -7.754 1.00 35.82 O HETATM 1154 O HOH 12 37.082 -26.102 -12.422 1.00 51.27 O HETATM 1155 O HOH 13 15.300 -26.672 -7.530 1.00 39.71 O HETATM 1156 O HOH 14 30.522 -24.666 -5.967 1.00 51.89 O HETATM 1157 O HOH 15 34.824 -17.141 -16.881 1.00 34.07 O HETATM 1158 O HOH 16 10.518 -30.554 -12.648 1.00 46.40 O HETATM 1159 O HOH 17 15.104 -26.806 -16.361 1.00 50.82 O HETATM 1160 O HOH 18 12.357 -27.437 -21.965 1.00 55.61 O HETATM 1161 O HOH 19 36.108 -14.994 -13.154 1.00 56.63 O HETATM 1162 O HOH 20 33.294 -19.817 -11.131 1.00 34.30 O HETATM 1163 O HOH 21 15.816 -22.707 -9.161 1.00 35.34 O HETATM 1164 O HOH 22 10.073 -43.364 -4.106 1.00 39.83 O HETATM 1165 O HOH 23 32.395 -10.490 -4.018 1.00 56.74 O HETATM 1166 O HOH 24 1.557 -27.960 -4.592 1.00 58.35 O HETATM 1167 O HOH 25 10.351 -44.531 -10.647 1.00 57.83 O HETATM 1168 O HOH 26 28.033 -22.592 -4.750 1.00 56.76 O HETATM 1169 O HOH 27 12.477 -47.205 -10.863 1.00 56.48 O HETATM 1170 O HOH 28 16.645 -35.867 -19.945 1.00 48.09 O HETATM 1171 O HOH 29 33.780 -44.273 -9.043 1.00 47.15 O HETATM 1172 O HOH 30 16.821 -31.914 2.404 1.00 32.93 O HETATM 1173 O HOH 31 27.723 -35.326 0.086 1.00 47.39 O HETATM 1174 O HOH 32 22.155 -44.927 -14.833 1.00 34.64 O HETATM 1175 O HOH 33 31.069 -41.719 -10.965 1.00 38.39 O HETATM 1176 O HOH 34 19.837 -41.278 -0.768 1.00 41.66 O HETATM 1177 O HOH 35 14.101 -41.097 -16.016 1.00 53.28 O HETATM 1178 O HOH 36 13.684 -42.547 -13.989 1.00 48.57 O HETATM 1179 O HOH 37 15.986 -43.694 -21.269 1.00 42.35 O HETATM 1180 O HOH 38 31.044 -37.784 -2.959 1.00 45.87 O HETATM 1181 O HOH 39 20.580 -47.461 -15.431 1.00 42.19 O HETATM 1182 O HOH 40 28.238 -43.871 -30.939 1.00 45.04 O HETATM 1183 O HOH 41 21.400 -51.666 -16.523 1.00 59.18 O HETATM 1184 O HOH 42 23.731 -44.018 -29.556 1.00 47.80 O HETATM 1185 O HOH 43 21.021 -42.481 -29.709 1.00 47.73 O HETATM 1186 O HOH 44 30.419 -38.580 -9.458 1.00 39.12 O HETATM 1187 O HOH 45 13.517 -45.036 3.576 1.00 51.76 O HETATM 1188 O HOH 46 14.224 -43.366 -23.670 1.00 48.84 O HETATM 1189 O HOH 47 25.416 -54.410 -23.246 1.00 54.30 O HETATM 1190 O HOH 48 15.186 -42.525 3.870 1.00 44.99 O HETATM 1191 O HOH 49 18.701 -14.489 -13.781 1.00 44.96 O HETATM 1192 O HOH 50 17.820 -10.279 -10.389 1.00 49.28 O HETATM 1193 O HOH 51 17.073 -32.856 -20.131 1.00 46.37 O HETATM 1194 O HOH 52 34.333 -43.922 -22.249 1.00 40.86 O HETATM 1195 O HOH 53 13.971 -25.569 -19.427 1.00 56.12 O HETATM 1196 O HOH 54 15.284 -33.293 -22.473 1.00 51.88 O HETATM 1197 O HOH 55 28.149 -29.103 -25.749 1.00 44.59 O HETATM 1198 O HOH 56 23.277 -35.486 -27.667 1.00 38.16 O HETATM 1199 O HOH 57 39.763 -46.515 -15.928 1.00 44.47 O HETATM 1200 O HOH 58 18.915 -26.755 -28.016 1.00 56.97 O HETATM 1201 O HOH 59 20.070 -28.407 -26.020 1.00 45.19 O HETATM 1202 O HOH 60 28.487 -29.876 -22.765 1.00 36.12 O HETATM 1203 O HOH 61 37.123 -44.458 -33.837 1.00 56.78 O HETATM 1204 O HOH 62 30.542 -16.660 -22.971 1.00 41.65 O HETATM 1205 O HOH 63 35.330 -48.481 -26.476 1.00 42.46 O HETATM 1206 O HOH 64 33.811 -20.192 -21.483 1.00 45.07 O HETATM 1207 O HOH 65 35.366 -51.096 -19.931 1.00 53.69 O HETATM 1208 O HOH 66 21.140 -15.620 -17.724 1.00 25.46 O HETATM 1209 O HOH 67 34.171 -33.225 -13.067 1.00 48.10 O HETATM 1210 O HOH 68 32.777 -13.555 -23.844 1.00 33.72 O HETATM 1211 O HOH 69 34.140 -41.106 -10.385 1.00 57.73 O HETATM 1212 O HOH 70 30.405 -25.352 -28.217 1.00 57.61 O HETATM 1213 O HOH 71 37.748 -44.283 -19.257 1.00 51.49 O HETATM 1214 O HOH 72 38.804 -48.321 -19.564 1.00 53.26 O HETATM 1215 O HOH 73 23.671 -53.426 -15.083 1.00 58.29 O HETATM 1216 O HOH 74 16.829 -16.879 -15.269 1.00 56.65 O HETATM 1217 O HOH 75 15.823 -19.156 -14.875 1.00 38.22 O HETATM 1218 O HOH 76 28.939 -23.906 -29.963 1.00 55.95 O HETATM 1219 O HOH 77 36.662 -51.769 -17.191 1.00 58.28 O HETATM 1220 C1 FUC A 78 12.556 -35.053 -1.186 1.00 0.19 C HETATM 1221 C2 FUC A 78 12.794 -33.658 -0.645 1.00 0.13 C HETATM 1222 C3 FUC A 78 14.115 -33.634 0.123 1.00 0.11 C HETATM 1223 C4 FUC A 78 15.249 -34.157 -0.776 1.00 0.11 C HETATM 1224 C5 FUC A 78 14.897 -35.572 -1.234 1.00 0.09 C HETATM 1225 C6 FUC A 78 15.890 -36.243 -2.177 1.00 -0.04 C HETATM 1226 H6 FUC A 78 15.529 -37.250 -2.434 1.00 0.03 H HETATM 1227 H7 FUC A 78 16.870 -36.320 -1.683 1.00 0.03 H HETATM 1228 H8 FUC A 78 15.987 -35.644 -3.094 1.00 0.03 H HETATM 1229 O5 FUC A 78 13.670 -35.509 -1.943 1.00 -0.34 O HETATM 1230 H5 FUC A 78 14.786 -36.202 -0.339 1.00 0.06 H HETATM 1231 O4 FUC A 78 15.434 -33.329 -1.943 1.00 -0.39 O HETATM 1232 H11 FUC A 78 15.654 -32.446 -1.671 1.00 0.21 H HETATM 1233 H4 FUC A 78 16.185 -34.177 -0.198 1.00 0.06 H HETATM 1234 O3 FUC A 78 14.366 -32.316 0.605 1.00 -0.39 O HETATM 1235 H10 FUC A 78 15.168 -32.313 1.113 1.00 0.21 H HETATM 1236 H3 FUC A 78 14.030 -34.305 0.991 1.00 0.06 H HETATM 1237 O2 FUC A 78 11.666 -33.292 0.168 1.00 -0.38 O HETATM 1238 H9 FUC A 78 10.875 -33.324 -0.357 1.00 0.21 H HETATM 1239 H2 FUC A 78 12.867 -32.950 -1.483 1.00 0.07 H HETATM 1240 O6 FUC A 78 12.312 -35.909 -0.064 1.00 -0.35 O HETATM 1241 C6 FUC A 78 11.838 -37.202 -0.481 1.00 0.08 C HETATM 1242 C5 FUC A 78 10.782 -37.645 0.518 1.00 0.12 C HETATM 1243 C4 FUC A 78 9.517 -36.749 0.597 1.00 0.12 C HETATM 1244 C3 FUC A 78 8.595 -37.068 1.822 1.00 0.11 C HETATM 1245 C2 FUC A 78 9.435 -37.229 3.107 1.00 0.14 C HETATM 1246 N2 FUC A 78 8.906 -37.813 4.325 1.00 -0.27 N HETATM 1247 C7 FUC A 78 8.826 -37.570 5.665 1.00 0.17 C HETATM 1248 C8 FUC A 78 8.352 -38.706 6.591 1.00 0.03 C HETATM 1249 H18 FUC A 78 8.343 -38.351 7.632 1.00 0.05 H HETATM 1250 H19 FUC A 78 9.037 -39.562 6.501 1.00 0.05 H HETATM 1251 H20 FUC A 78 7.337 -39.016 6.301 1.00 0.05 H HETATM 1252 O7 FUC A 78 9.084 -36.429 6.091 1.00 -0.40 O HETATM 1253 H21 FUC A 78 8.450 -38.678 4.113 1.00 0.19 H HETATM 1254 C1 FUC A 78 10.599 -38.216 2.801 1.00 0.11 C HETATM 1255 O5 FUC A 78 11.451 -37.668 1.791 1.00 -0.33 O HETATM 1256 N1 FUC A 78 11.431 -38.611 3.980 1.00 0.24 N HETATM 1257 H24 FUC A 78 12.154 -39.248 3.683 1.00 0.20 H HETATM 1258 H25 FUC A 78 10.848 -39.062 4.667 1.00 0.20 H HETATM 1259 H26 FUC A 78 11.852 -37.789 4.384 1.00 0.20 H HETATM 1260 H23 FUC A 78 10.143 -39.135 2.404 1.00 0.12 H HETATM 1261 H12 FUC A 78 9.822 -36.229 3.354 1.00 0.07 H HETATM 1262 O3 FUC A 78 7.601 -36.049 2.006 1.00 -0.39 O HETATM 1263 H22 FUC A 78 7.060 -35.991 1.227 1.00 0.21 H HETATM 1264 H13 FUC A 78 8.079 -38.019 1.624 1.00 0.06 H HETATM 1265 O4 FUC A 78 8.831 -37.000 -0.624 1.00 -0.34 O HETATM 1266 C1 FUC A 78 8.431 -35.807 -1.270 1.00 0.19 C HETATM 1267 C2 FUC A 78 8.087 -36.150 -2.705 1.00 0.12 C HETATM 1268 C3 FUC A 78 7.501 -34.942 -3.411 1.00 0.11 C HETATM 1269 C4 FUC A 78 6.416 -34.289 -2.577 1.00 0.12 C HETATM 1270 C5 FUC A 78 6.980 -33.969 -1.203 1.00 0.11 C HETATM 1271 C6 FUC A 78 5.989 -33.188 -0.353 1.00 0.07 C HETATM 1272 O6 FUC A 78 6.578 -33.109 0.949 1.00 -0.39 O HETATM 1273 H39 FUC A 78 6.711 -33.986 1.289 1.00 0.21 H HETATM 1274 H32 FUC A 78 5.024 -33.714 -0.307 1.00 0.06 H HETATM 1275 H33 FUC A 78 5.838 -32.181 -0.768 1.00 0.06 H HETATM 1276 O5 FUC A 78 7.363 -35.188 -0.562 1.00 -0.34 O HETATM 1277 H31 FUC A 78 7.878 -33.347 -1.333 1.00 0.06 H HETATM 1278 O4 FUC A 78 5.952 -33.050 -3.155 1.00 -0.34 O HETATM 1279 C1 FUC A 78 4.724 -33.303 -3.852 1.00 0.19 C HETATM 1280 C2 FUC A 78 3.888 -32.047 -4.086 1.00 0.13 C HETATM 1281 C3 FUC A 78 2.615 -32.486 -4.835 1.00 0.11 C HETATM 1282 C4 FUC A 78 3.035 -33.159 -6.151 1.00 0.11 C HETATM 1283 C5 FUC A 78 3.795 -34.426 -5.770 1.00 0.11 C HETATM 1284 C6 FUC A 78 4.139 -35.332 -6.953 1.00 0.08 C HETATM 1285 O6 FUC A 78 4.907 -34.557 -7.894 1.00 -0.35 O HETATM 1286 C1 FUC A 78 4.968 -35.213 -9.180 1.00 0.19 C HETATM 1287 C2 FUC A 78 6.164 -34.677 -9.972 1.00 0.14 C HETATM 1288 C3 FUC A 78 6.030 -33.204 -10.331 1.00 0.11 C HETATM 1289 C4 FUC A 78 4.714 -32.985 -11.063 1.00 0.11 C HETATM 1290 C5 FUC A 78 3.545 -33.592 -10.277 1.00 0.11 C HETATM 1291 C6 FUC A 78 2.257 -33.452 -11.083 1.00 0.07 C HETATM 1292 O6 FUC A 78 1.212 -34.142 -10.373 1.00 -0.39 O HETATM 1293 H59 FUC A 78 1.445 -35.058 -10.281 1.00 0.21 H HETATM 1294 H55 FUC A 78 2.389 -33.899 -12.079 1.00 0.06 H HETATM 1295 H56 FUC A 78 1.997 -32.389 -11.190 1.00 0.06 H HETATM 1296 O5 FUC A 78 3.779 -34.988 -9.955 1.00 -0.34 O HETATM 1297 H54 FUC A 78 3.434 -33.035 -9.335 1.00 0.06 H HETATM 1298 O4 FUC A 78 4.534 -31.582 -11.281 1.00 -0.39 O HETATM 1299 H58 FUC A 78 5.274 -31.241 -11.769 1.00 0.21 H HETATM 1300 H53 FUC A 78 4.766 -33.487 -12.041 1.00 0.06 H HETATM 1301 O3 FUC A 78 7.095 -32.810 -11.207 1.00 -0.39 O HETATM 1302 H57 FUC A 78 7.066 -33.338 -11.996 1.00 0.21 H HETATM 1303 H52 FUC A 78 6.057 -32.597 -9.414 1.00 0.06 H HETATM 1304 O2 FUC A 78 6.175 -35.386 -11.209 1.00 -0.34 O HETATM 1305 C1 FUC A 78 7.433 -35.990 -11.534 1.00 0.19 C HETATM 1306 C2 FUC A 78 7.148 -37.299 -12.276 1.00 0.12 C HETATM 1307 C3 FUC A 78 8.448 -37.906 -12.784 1.00 0.11 C HETATM 1308 C4 FUC A 78 9.270 -36.865 -13.547 1.00 0.11 C HETATM 1309 C5 FUC A 78 9.468 -35.593 -12.707 1.00 0.11 C HETATM 1310 C6 FUC A 78 10.218 -34.481 -13.449 1.00 0.07 C HETATM 1311 O6 FUC A 78 9.369 -33.700 -14.309 1.00 -0.39 O HETATM 1312 H73 FUC A 78 8.687 -33.290 -13.791 1.00 0.21 H HETATM 1313 H65 FUC A 78 11.008 -34.941 -14.061 1.00 0.06 H HETATM 1314 H66 FUC A 78 10.674 -33.811 -12.706 1.00 0.06 H HETATM 1315 O5 FUC A 78 8.202 -35.055 -12.295 1.00 -0.34 O HETATM 1316 H64 FUC A 78 10.048 -35.867 -11.814 1.00 0.06 H HETATM 1317 O4 FUC A 78 10.525 -37.466 -13.871 1.00 -0.39 O HETATM 1318 H72 FUC A 78 10.376 -38.248 -14.389 1.00 0.21 H HETATM 1319 H63 FUC A 78 8.745 -36.595 -14.475 1.00 0.06 H HETATM 1320 O3 FUC A 78 8.223 -39.055 -13.621 1.00 -0.39 O HETATM 1321 H71 FUC A 78 9.058 -39.433 -13.869 1.00 0.21 H HETATM 1322 H62 FUC A 78 9.030 -38.232 -11.910 1.00 0.06 H HETATM 1323 N2 FUC A 78 6.475 -38.159 -11.312 1.00 -0.28 N HETATM 1324 C7 FUC A 78 5.136 -38.287 -11.220 1.00 0.17 C HETATM 1325 C8 FUC A 78 4.634 -39.191 -10.122 1.00 0.03 C HETATM 1326 H67 FUC A 78 3.534 -39.218 -10.143 1.00 0.05 H HETATM 1327 H68 FUC A 78 4.972 -38.808 -9.148 1.00 0.05 H HETATM 1328 H69 FUC A 78 5.029 -40.206 -10.274 1.00 0.05 H HETATM 1329 O7 FUC A 78 4.347 -37.716 -11.969 1.00 -0.40 O HETATM 1330 H70 FUC A 78 7.041 -38.687 -10.679 1.00 0.19 H HETATM 1331 H61 FUC A 78 6.484 -37.112 -13.133 1.00 0.06 H HETATM 1332 H60 FUC A 78 7.982 -36.223 -10.610 1.00 0.09 H HETATM 1333 H51 FUC A 78 7.093 -34.843 -9.407 1.00 0.07 H HETATM 1334 H50 FUC A 78 5.090 -36.294 -9.019 1.00 0.09 H HETATM 1335 H45 FUC A 78 3.215 -35.691 -7.430 1.00 0.06 H HETATM 1336 H46 FUC A 78 4.731 -36.192 -6.606 1.00 0.06 H HETATM 1337 O5 FUC A 78 4.990 -33.935 -5.116 1.00 -0.34 O HETATM 1338 H44 FUC A 78 3.193 -35.012 -5.060 1.00 0.06 H HETATM 1339 O4 FUC A 78 1.956 -33.444 -7.046 1.00 -0.39 O HETATM 1340 H49 FUC A 78 1.504 -32.637 -7.263 1.00 0.21 H HETATM 1341 H43 FUC A 78 3.722 -32.480 -6.678 1.00 0.06 H HETATM 1342 O3 FUC A 78 1.710 -31.388 -5.025 1.00 -0.39 O HETATM 1343 H48 FUC A 78 0.921 -31.700 -5.453 1.00 0.21 H HETATM 1344 H42 FUC A 78 2.095 -33.236 -4.221 1.00 0.06 H HETATM 1345 O2 FUC A 78 4.633 -31.073 -4.840 1.00 -0.38 O HETATM 1346 H47 FUC A 78 4.888 -31.448 -5.675 1.00 0.21 H HETATM 1347 H41 FUC A 78 3.609 -31.605 -3.118 1.00 0.07 H HETATM 1348 H40 FUC A 78 4.129 -33.993 -3.236 1.00 0.09 H HETATM 1349 H30 FUC A 78 5.569 -34.985 -2.483 1.00 0.07 H HETATM 1350 O3 FUC A 78 7.002 -35.414 -4.654 1.00 -0.39 O HETATM 1351 H38 FUC A 78 7.709 -35.815 -5.146 1.00 0.21 H HETATM 1352 H29 FUC A 78 8.293 -34.201 -3.592 1.00 0.06 H HETATM 1353 N2 FUC A 78 9.290 -36.531 -3.407 1.00 -0.28 N HETATM 1354 C7 FUC A 78 9.664 -37.788 -3.612 1.00 0.17 C HETATM 1355 C8 FUC A 78 10.945 -37.985 -4.360 1.00 0.03 C HETATM 1356 H34 FUC A 78 11.146 -39.061 -4.466 1.00 0.05 H HETATM 1357 H35 FUC A 78 11.769 -37.511 -3.807 1.00 0.05 H HETATM 1358 H36 FUC A 78 10.861 -37.528 -5.357 1.00 0.05 H HETATM 1359 O7 FUC A 78 9.026 -38.743 -3.227 1.00 -0.40 O HETATM 1360 H37 FUC A 78 9.877 -35.803 -3.760 1.00 0.19 H HETATM 1361 H28 FUC A 78 7.363 -36.978 -2.721 1.00 0.06 H HETATM 1362 H27 FUC A 78 9.278 -35.106 -1.277 1.00 0.09 H HETATM 1363 H14 FUC A 78 9.817 -35.692 0.655 1.00 0.07 H HETATM 1364 H15 FUC A 78 10.454 -38.661 0.253 1.00 0.06 H HETATM 1365 H16 FUC A 78 11.398 -37.134 -1.487 1.00 0.06 H HETATM 1366 H17 FUC A 78 12.670 -37.921 -0.492 1.00 0.06 H HETATM 1367 H1 FUC A 78 11.670 -35.044 -1.837 1.00 0.09 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 83 82 149 CONECT 149 83 148 CONECT 380 381 385 386 387 CONECT 385 380 CONECT 386 380 CONECT 387 380 CONECT 477 476 543 CONECT 543 477 542 CONECT 764 765 769 770 771 CONECT 769 764 CONECT 770 764 CONECT 771 764 CONECT 846 845 912 CONECT 912 846 911 CONECT 1220 1221 1229 1240 1367 CONECT 1221 1220 1222 1237 1239 CONECT 1222 1221 1223 1234 1236 CONECT 1223 1222 1224 1231 1233 CONECT 1224 1223 1225 1229 1230 CONECT 1225 1224 1226 1227 1228 CONECT 1226 1225 CONECT 1227 1225 CONECT 1228 1225 CONECT 1229 1220 1224 CONECT 1230 1224 CONECT 1231 1223 1232 CONECT 1232 1231 CONECT 1233 1223 CONECT 1234 1222 1235 CONECT 1235 1234 CONECT 1236 1222 CONECT 1237 1221 1238 CONECT 1238 1237 CONECT 1239 1221 CONECT 1240 1220 1241 CONECT 1241 1240 1242 1365 1366 CONECT 1242 1241 1243 1255 1364 CONECT 1243 1242 1244 1265 1363 CONECT 1244 1243 1245 1262 1264 CONECT 1245 1244 1246 1254 1261 CONECT 1246 1245 1247 1253 CONECT 1247 1246 1248 1252 CONECT 1248 1247 1249 1250 1251 CONECT 1249 1248 CONECT 1250 1248 CONECT 1251 1248 CONECT 1252 1247 CONECT 1253 1246 CONECT 1254 1245 1255 1256 1260 CONECT 1255 1242 1254 CONECT 1256 1254 1257 1258 1259 CONECT 1257 1256 CONECT 1258 1256 CONECT 1259 1256 CONECT 1260 1254 CONECT 1261 1245 CONECT 1262 1244 1263 CONECT 1263 1262 CONECT 1264 1244 CONECT 1265 1243 1266 CONECT 1266 1265 1267 1276 1362 CONECT 1267 1266 1268 1353 1361 CONECT 1268 1267 1269 1350 1352 CONECT 1269 1268 1270 1278 1349 CONECT 1270 1269 1271 1276 1277 CONECT 1271 1270 1272 1274 1275 CONECT 1272 1271 1273 CONECT 1273 1272 CONECT 1274 1271 CONECT 1275 1271 CONECT 1276 1266 1270 CONECT 1277 1270 CONECT 1278 1269 1279 CONECT 1279 1278 1280 1337 1348 CONECT 1280 1279 1281 1345 1347 CONECT 1281 1280 1282 1342 1344 CONECT 1282 1281 1283 1339 1341 CONECT 1283 1282 1284 1337 1338 CONECT 1284 1283 1285 1335 1336 CONECT 1285 1284 1286 CONECT 1286 1285 1287 1296 1334 CONECT 1287 1286 1288 1304 1333 CONECT 1288 1287 1289 1301 1303 CONECT 1289 1288 1290 1298 1300 CONECT 1290 1289 1291 1296 1297 CONECT 1291 1290 1292 1294 1295 CONECT 1292 1291 1293 CONECT 1293 1292 CONECT 1294 1291 CONECT 1295 1291 CONECT 1296 1286 1290 CONECT 1297 1290 CONECT 1298 1289 1299 CONECT 1299 1298 CONECT 1300 1289 CONECT 1301 1288 1302 CONECT 1302 1301 CONECT 1303 1288 CONECT 1304 1287 1305 CONECT 1305 1304 1306 1315 1332 CONECT 1306 1305 1307 1323 1331 CONECT 1307 1306 1308 1320 1322 CONECT 1308 1307 1309 1317 1319 CONECT 1309 1308 1310 1315 1316 CONECT 1310 1309 1311 1313 1314 CONECT 1311 1310 1312 CONECT 1312 1311 CONECT 1313 1310 CONECT 1314 1310 CONECT 1315 1305 1309 CONECT 1316 1309 CONECT 1317 1308 1318 CONECT 1318 1317 CONECT 1319 1308 CONECT 1320 1307 1321 CONECT 1321 1320 CONECT 1322 1307 CONECT 1323 1306 1324 1330 CONECT 1324 1323 1325 1329 CONECT 1325 1324 1326 1327 1328 CONECT 1326 1325 CONECT 1327 1325 CONECT 1328 1325 CONECT 1329 1324 CONECT 1330 1323 CONECT 1331 1306 CONECT 1332 1305 CONECT 1333 1287 CONECT 1334 1286 CONECT 1335 1284 CONECT 1336 1284 CONECT 1337 1279 1283 CONECT 1338 1283 CONECT 1339 1282 1340 CONECT 1340 1339 CONECT 1341 1282 CONECT 1342 1281 1343 CONECT 1343 1342 CONECT 1344 1281 CONECT 1345 1280 1346 CONECT 1346 1345 CONECT 1347 1280 CONECT 1348 1279 CONECT 1349 1269 CONECT 1350 1268 1351 CONECT 1351 1350 CONECT 1352 1268 CONECT 1353 1267 1354 1360 CONECT 1354 1353 1355 1359 CONECT 1355 1354 1356 1357 1358 CONECT 1356 1355 CONECT 1357 1355 CONECT 1358 1355 CONECT 1359 1354 CONECT 1360 1353 CONECT 1361 1267 CONECT 1362 1266 CONECT 1363 1243 CONECT 1364 1242 CONECT 1365 1241 CONECT 1366 1241 CONECT 1367 1220 MASTER 0 0 0 0 0 0 0 0 1364 3 166 12 END
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Related entries of code: 6fx1
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Complexes with the same small molecule ligand
PDB Code
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Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
RCSB PDB
PDBbind
8-mer
1fzm
RCSB PDB
PDBbind
8-mer
1g6r
RCSB PDB
PDBbind
8-mer
1g7q
RCSB PDB
PDBbind
8-mer
1leg
RCSB PDB
PDBbind
8-mer
1lek
RCSB PDB
PDBbind
8-mer
1nlp
RCSB PDB
PDBbind
8-mer
1nzl
RCSB PDB
PDBbind
8-mer
1nzv
RCSB PDB
PDBbind
8-mer
1obx
RCSB PDB
PDBbind
8-mer
1okx
RCSB PDB
PDBbind
8-mer
1p2g
RCSB PDB
PDBbind
8-mer
1pig
RCSB PDB
PDBbind
8-mer
1pz5
RCSB PDB
PDBbind
8-mer
1qja
RCSB PDB
PDBbind
8-mer
1qjb
RCSB PDB
PDBbind
8-mer
1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
2c1n
RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
2er9
RCSB PDB
PDBbind
8-mer
2fo4
RCSB PDB
PDBbind
8-mer
2h6k
RCSB PDB
PDBbind
8-mer
2kbs
RCSB PDB
PDBbind
8-mer
2qbw
RCSB PDB
PDBbind
8-mer
2r03
RCSB PDB
PDBbind
8-mer
2r9b
RCSB PDB
PDBbind
8-mer
2rly
RCSB PDB
PDBbind
8-mer
2rt5
RCSB PDB
PDBbind
8-mer
2v88
RCSB PDB
PDBbind
8-mer
2w16
RCSB PDB
PDBbind
8-mer
2w3o
RCSB PDB
PDBbind
8-mer
2ynn
RCSB PDB
PDBbind
8-mer
2zpk
RCSB PDB
PDBbind
8-mer
3agm
RCSB PDB
PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
8-mer
3avb
RCSB PDB
PDBbind
8-mer
3avf
RCSB PDB
PDBbind
8-mer
3avg
RCSB PDB
PDBbind
8-mer
3avh
RCSB PDB
PDBbind
8-mer
3avi
RCSB PDB
PDBbind
8-mer
3avj
RCSB PDB
PDBbind
8-mer
3avk
RCSB PDB
PDBbind
8-mer
3avl
RCSB PDB
PDBbind
8-mer
3avm
RCSB PDB
PDBbind
8-mer
3avn
RCSB PDB
PDBbind
8-mer
3drf
RCSB PDB
PDBbind
8-mer
3ds9
RCSB PDB
PDBbind
8-mer
3eyu
RCSB PDB
PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
RCSB PDB
PDBbind
8-mer
3kze
RCSB PDB
PDBbind
8-mer
3muk
RCSB PDB
PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
RCSB PDB
PDBbind
8-mer
3omc
RCSB PDB
PDBbind
8-mer
3omg
RCSB PDB
PDBbind
8-mer
3p9l
RCSB PDB
PDBbind
8-mer
3p9m
RCSB PDB
PDBbind
8-mer
3pab
RCSB PDB
PDBbind
8-mer
3qg6
RCSB PDB
PDBbind
8-mer
3rdv
RCSB PDB
PDBbind
8-mer
3rwh
RCSB PDB
PDBbind
8-mer
3rwj
RCSB PDB
PDBbind
8-mer
3unn
RCSB PDB
PDBbind
8-mer
3uqp
RCSB PDB
PDBbind
8-mer
3uri
RCSB PDB
PDBbind
8-mer
3uyr
RCSB PDB
PDBbind
8-mer
3zev
RCSB PDB
PDBbind
8-mer
3zvy
RCSB PDB
PDBbind
8-mer
3zyr
RCSB PDB
PDBbind
8-mer
4aa1
RCSB PDB
PDBbind
8-mer
4aph
RCSB PDB
PDBbind
8-mer
4apr
RCSB PDB
PDBbind
8-mer
4dv9
RCSB PDB
PDBbind
8-mer
4e67
RCSB PDB
PDBbind
8-mer
4eoy
RCSB PDB
PDBbind
8-mer
4ep2
RCSB PDB
PDBbind
8-mer
4eqj
RCSB PDB
PDBbind
8-mer
4ezr
RCSB PDB
PDBbind
8-mer
4fmo
RCSB PDB
PDBbind
8-mer
4fn5
RCSB PDB
PDBbind
8-mer
4gpk
RCSB PDB
PDBbind
8-mer
4gvc
RCSB PDB
PDBbind
8-mer
4gvd
RCSB PDB
PDBbind
8-mer
4gvu
RCSB PDB
PDBbind
8-mer
4h36
RCSB PDB
PDBbind
8-mer
4h75
RCSB PDB
PDBbind
8-mer
4ii9
RCSB PDB
PDBbind
8-mer
4jiz
RCSB PDB
PDBbind
8-mer
4lkl
RCSB PDB
PDBbind
8-mer
4lkm
RCSB PDB
PDBbind
8-mer
4mji
RCSB PDB
PDBbind
8-mer
4nxq
RCSB PDB
PDBbind
8-mer
4nxr
RCSB PDB
PDBbind
8-mer
4o2f
RCSB PDB
PDBbind
8-mer
4rxh
RCSB PDB
PDBbind
8-mer
4y7r
RCSB PDB
PDBbind
8-mer
4ysi
RCSB PDB
PDBbind
8-mer
5d7e
RCSB PDB
PDBbind
8-mer
5e2q
RCSB PDB
PDBbind
8-mer
5elq
RCSB PDB
PDBbind
8-mer
5em9
RCSB PDB
PDBbind
8-mer
5ema
RCSB PDB
PDBbind
8-mer
5emb
RCSB PDB
PDBbind
8-mer
5fjx
RCSB PDB
PDBbind
8-mer
5fpi
RCSB PDB
PDBbind
8-mer
5gmv
RCSB PDB
PDBbind
8-mer
5hjb
RCSB PDB
PDBbind
8-mer
5i25
RCSB PDB
PDBbind
8-mer
5iok
RCSB PDB
PDBbind
8-mer
5iql
RCSB PDB
PDBbind
8-mer
5jjm
RCSB PDB
PDBbind
8-mer
5mgx
RCSB PDB
PDBbind
8-mer
5n70
RCSB PDB
PDBbind
8-mer
5svi
RCSB PDB
PDBbind
8-mer
5sxm
RCSB PDB
PDBbind
8-mer
5t6p
RCSB PDB
PDBbind
8-mer
5t78
RCSB PDB
PDBbind
8-mer
5teg
RCSB PDB
PDBbind
8-mer
5tkj
RCSB PDB
PDBbind
8-mer
5tkk
RCSB PDB
PDBbind
8-mer
5vwi
RCSB PDB
PDBbind
8-mer
5vwk
RCSB PDB
PDBbind
8-mer
5wou
RCSB PDB
PDBbind
8-mer
5wtt
RCSB PDB
PDBbind
8-mer
5xjm
RCSB PDB
PDBbind
8-mer
5xn3
RCSB PDB
PDBbind
8-mer
5yba
RCSB PDB
PDBbind
8-mer
6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6hpg
RCSB PDB
PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
8-mer
6dql
RCSB PDB
PDBbind
8-mer
6do1
RCSB PDB
PDBbind
8-mer
Entry Information
PDB ID
6fx1
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Pholiota squarrosa lectin
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
Kd=105uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) Angew. Chem. Int. Ed. Engl. Vol. 57: pp. 10178-10181
Ligand Properties
Formula
C
4
2
H
7
3
N
4
O
2
9
Molecular Weight
1098.040
Exact Mass
1097.440
No. of atoms
148
No. of bonds
153
Polar Surface Area
519.92
LOGP Value
-11.97 (
Computed with XLOGP3
)
-12.22 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 19
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 36
No. of Nitrogen and Oxygen Atoms: 33
No. of Rings: 6
Canonical SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO[C@@H]3O[C@@H](C)[C@H]([C@H]([C@@H]3O)O)O)O[C@H]([C@@H]([C@H]2O)NC(=O)C)[NH3+])[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H]([C@@H]([C@@H]2O[C@@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2NC(=O)C)O)O)O)O)[C@H]([C@@H]([C@@H]1O)O)O)O)NC(=O)C
InChI String
InChI=1S/C42H72N4O29/c1-10-22(53)29(60)32(63)40(67-10)65-9-18-35(27(58)19(37(43)68-18)44-11(2)50)73-39-21(46-13(4)52)28(59)34(16(7-49)71-39)74-41-33(64)30(61)25(56)17(72-41)8-66-42-36(31(62)24(55)15(6-48)70-42)75-38-20(45-12(3)51)26(57)23(54)14(5-47)69-38/h10,14-42,47-49,53-64H,5-9,43H2,1-4H3,(H,44,50)(H,45,51)(H,46,52)/p+1/t10-,14+,15+,16+,17+,18+,19+,20+,21+,22+,23+,24+,25+,26+,27+,28+,29+,30-,31-,32-,33-,34+,35+,36-,37+,38-,39-,40+,41-,42-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A0A3B6UEU4
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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