Browse entries in the PDBbind-CN Database
HEADER 5EMB_COMPLEX COMPND 5EMB_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 96 SER PRO ARG VAL VAL ARG ILE VAL LYS SER GLU SER GLY SEQRES 2 A 96 TYR GLY PHE ASN VAL ARG GLY GLN VAL SER GLU GLY GLY SEQRES 3 A 96 GLN LEU ARG SER ILE ASN GLY GLU LEU TYR ALA PRO LEU SEQRES 4 A 96 GLN HIS VAL SER ALA VAL LEU PRO GLY GLY ALA ALA ASP SEQRES 5 A 96 ARG ALA GLY VAL ARG LYS GLY ASP ARG ILE LEU GLU VAL SEQRES 6 A 96 ASN GLY VAL ASN VAL GLU GLY ALA THR HIS LYS GLN VAL SEQRES 7 A 96 VAL ASP LEU ILE ARG ALA GLY GLU LYS GLU LEU ILE LEU SEQRES 8 A 96 THR VAL LEU SER VAL HET GLU A 279 118 ATOM 1 N SER A 38 -2.905 -3.655 6.612 1.00 52.36 N ATOM 2 CA SER A 38 -2.486 -5.052 6.643 1.00 28.62 C ATOM 3 C SER A 38 -2.473 -5.530 5.249 1.00 14.30 C ATOM 4 O SER A 38 -3.192 -5.080 4.357 1.00 14.28 O ATOM 5 CB SER A 38 -3.386 -5.959 7.528 1.00 35.72 C ATOM 6 OG SER A 38 -3.099 -5.704 8.882 1.00 44.24 O ATOM 7 HG SER A 38 -3.669 -6.278 9.453 1.00 0.00 H ATOM 8 HN3 SER A 38 -3.854 -3.588 6.191 1.00 0.00 H ATOM 9 HN2 SER A 38 -2.232 -3.105 6.041 1.00 0.00 H ATOM 10 HN1 SER A 38 -2.927 -3.279 7.582 1.00 0.00 H ATOM 11 N PRO A 39 -1.648 -6.576 5.008 1.00 8.52 N ATOM 12 CA PRO A 39 -1.667 -7.183 3.662 1.00 7.80 C ATOM 13 C PRO A 39 -3.066 -7.660 3.306 1.00 6.79 C ATOM 14 O PRO A 39 -3.826 -8.150 4.141 1.00 8.36 O ATOM 15 CB PRO A 39 -0.722 -8.344 3.818 1.00 10.01 C ATOM 16 CG PRO A 39 0.271 -7.836 4.862 1.00 11.58 C ATOM 17 CD PRO A 39 -0.616 -7.120 5.836 1.00 10.29 C ATOM 18 N ARG A 40 -3.390 -7.557 2.006 1.00 5.86 N ATOM 19 CA ARG A 40 -4.673 -7.999 1.493 1.00 5.93 C ATOM 20 C ARG A 40 -4.442 -8.580 0.094 1.00 4.74 C ATOM 21 O ARG A 40 -3.453 -8.262 -0.553 1.00 5.52 O ATOM 22 CB ARG A 40 -5.664 -6.799 1.383 1.00 8.07 C ATOM 23 CG ARG A 40 -5.356 -5.813 0.265 1.00 8.32 C ATOM 24 CD ARG A 40 -6.211 -4.532 0.270 1.00 10.43 C ATOM 25 NE ARG A 40 -6.061 -3.674 -0.884 1.00 9.16 N ATOM 26 CZ ARG A 40 -5.061 -2.845 -1.079 1.00 9.02 C ATOM 27 NH1 ARG A 40 -4.070 -2.737 -0.225 1.00 11.40 N ATOM 28 NH2 ARG A 40 -5.042 -2.067 -2.156 1.00 10.00 N ATOM 29 HE ARG A 40 -6.800 -3.716 -1.614 1.00 0.00 H ATOM 30 HH12 ARG A 40 -3.294 -2.070 -0.411 1.00 0.00 H ATOM 31 HH11 ARG A 40 -4.061 -3.318 0.637 1.00 0.00 H ATOM 32 HH22 ARG A 40 -4.250 -1.411 -2.310 1.00 0.00 H ATOM 33 HH21 ARG A 40 -5.819 -2.114 -2.845 1.00 0.00 H ATOM 34 H ARG A 40 -2.699 -7.147 1.346 1.00 0.00 H ATOM 35 N VAL A 41 -5.396 -9.378 -0.347 1.00 4.47 N ATOM 36 CA VAL A 41 -5.296 -10.025 -1.647 1.00 4.20 C ATOM 37 C VAL A 41 -6.308 -9.403 -2.592 1.00 4.54 C ATOM 38 O VAL A 41 -7.489 -9.216 -2.246 1.00 5.52 O ATOM 39 CB VAL A 41 -5.537 -11.552 -1.516 1.00 4.78 C ATOM 40 CG1 VAL A 41 -5.579 -12.204 -2.880 1.00 5.63 C ATOM 41 CG2 VAL A 41 -4.457 -12.170 -0.659 1.00 5.67 C ATOM 42 H VAL A 41 -6.234 -9.548 0.245 1.00 0.00 H ATOM 43 N VAL A 42 -5.855 -9.131 -3.823 1.00 4.37 N ATOM 44 CA VAL A 42 -6.657 -8.574 -4.914 1.00 7.06 C ATOM 45 C VAL A 42 -6.581 -9.542 -6.109 1.00 4.53 C ATOM 46 O VAL A 42 -5.514 -10.075 -6.409 1.00 6.07 O ATOM 47 CB VAL A 42 -6.240 -7.107 -5.171 1.00 11.79 C ATOM 48 CG1 VAL A 42 -6.950 -6.518 -6.315 1.00 11.95 C ATOM 49 CG2 VAL A 42 -6.688 -6.222 -4.020 1.00 17.34 C ATOM 50 H VAL A 42 -4.854 -9.332 -4.019 1.00 0.00 H ATOM 51 N ARG A 43 -7.686 -9.726 -6.802 1.00 4.61 N ATOM 52 CA ARG A 43 -7.764 -10.488 -8.042 1.00 4.63 C ATOM 53 C ARG A 43 -8.101 -9.503 -9.170 1.00 5.43 C ATOM 54 O ARG A 43 -9.003 -8.673 -9.019 1.00 7.57 O ATOM 55 CB ARG A 43 -8.802 -11.596 -7.979 1.00 5.38 C ATOM 56 CG ARG A 43 -8.471 -12.662 -6.907 1.00 6.61 C ATOM 57 CD ARG A 43 -9.428 -13.825 -6.889 1.00 6.46 C ATOM 58 NE ARG A 43 -10.593 -13.397 -6.112 1.00 8.47 N ATOM 59 CZ ARG A 43 -11.806 -13.448 -6.549 1.00 8.88 C ATOM 60 NH1 ARG A 43 -12.115 -13.969 -7.754 1.00 11.99 N ATOM 61 NH2 ARG A 43 -12.761 -13.005 -5.725 1.00 11.48 N ATOM 62 HE ARG A 43 -10.433 -13.031 -5.152 1.00 0.00 H ATOM 63 HH12 ARG A 43 -13.105 -13.993 -8.072 1.00 0.00 H ATOM 64 HH11 ARG A 43 -11.363 -14.347 -8.365 1.00 0.00 H ATOM 65 HH22 ARG A 43 -13.756 -13.023 -6.025 1.00 0.00 H ATOM 66 HH21 ARG A 43 -12.508 -12.643 -4.783 1.00 0.00 H ATOM 67 H ARG A 43 -8.562 -9.299 -6.440 1.00 0.00 H ATOM 68 N ILE A 44 -7.380 -9.608 -10.268 1.00 4.86 N ATOM 69 CA ILE A 44 -7.484 -8.653 -11.379 1.00 5.71 C ATOM 70 C ILE A 44 -7.539 -9.457 -12.674 1.00 5.60 C ATOM 71 O ILE A 44 -6.722 -10.347 -12.885 1.00 6.13 O ATOM 72 CB ILE A 44 -6.240 -7.657 -11.408 1.00 6.14 C ATOM 73 CG1 ILE A 44 -5.924 -7.126 -10.044 1.00 7.47 C ATOM 74 CG2 ILE A 44 -6.597 -6.510 -12.356 1.00 7.78 C ATOM 75 CD1 ILE A 44 -4.656 -6.305 -9.956 1.00 9.21 C ATOM 76 H ILE A 44 -6.710 -10.399 -10.351 1.00 0.00 H ATOM 77 N VAL A 45 -8.474 -9.124 -13.553 1.00 6.72 N ATOM 78 CA VAL A 45 -8.566 -9.738 -14.877 1.00 7.35 C ATOM 79 C VAL A 45 -8.271 -8.673 -15.890 1.00 7.33 C ATOM 80 O VAL A 45 -8.785 -7.545 -15.850 1.00 8.60 O ATOM 81 CB VAL A 45 -9.920 -10.412 -15.101 1.00 10.58 C ATOM 82 CG1 VAL A 45 -10.068 -10.933 -16.500 1.00 13.08 C ATOM 83 CG2 VAL A 45 -10.123 -11.505 -14.124 1.00 14.48 C ATOM 84 H VAL A 45 -9.170 -8.397 -13.290 1.00 0.00 H ATOM 85 N LYS A 46 -7.394 -8.976 -16.865 1.00 8.50 N ATOM 86 CA LYS A 46 -7.016 -8.005 -17.870 1.00 10.64 C ATOM 87 C LYS A 46 -8.135 -7.490 -18.626 1.00 23.07 C ATOM 88 O LYS A 46 -8.968 -8.260 -19.015 1.00 48.64 O ATOM 89 CB LYS A 46 -6.246 -8.657 -19.003 1.00 20.05 C ATOM 90 CG LYS A 46 -4.899 -9.002 -18.666 1.00 15.86 C ATOM 91 CD LYS A 46 -4.180 -9.641 -19.754 1.00 31.16 C ATOM 92 CE LYS A 46 -2.849 -10.139 -19.313 1.00 31.75 C ATOM 93 NZ LYS A 46 -2.215 -10.725 -20.541 1.00 47.20 N ATOM 94 HZ1 LYS A 46 -2.810 -11.498 -20.902 1.00 0.00 H ATOM 95 HZ2 LYS A 46 -2.124 -9.987 -21.268 1.00 0.00 H ATOM 96 HZ3 LYS A 46 -1.273 -11.095 -20.301 1.00 0.00 H ATOM 97 H LYS A 46 -6.979 -9.929 -16.897 1.00 0.00 H ATOM 98 N SER A 47 -8.082 -6.136 -18.854 1.00 44.77 N ATOM 99 CA SER A 47 -9.092 -5.618 -19.805 1.00 41.73 C ATOM 100 C SER A 47 -8.434 -5.331 -21.162 1.00 43.87 C ATOM 101 O SER A 47 -7.338 -5.865 -21.428 1.00 36.56 O ATOM 102 CB SER A 47 -9.783 -4.364 -19.225 1.00 48.47 C ATOM 103 OG SER A 47 -8.798 -3.243 -19.229 1.00 66.48 O ATOM 104 HG SER A 47 -8.017 -3.489 -18.672 1.00 0.00 H ATOM 105 H SER A 47 -7.383 -5.520 -18.392 1.00 0.00 H ATOM 106 N GLU A 48 -9.166 -4.620 -22.061 1.00 50.64 N ATOM 107 CA GLU A 48 -8.577 -4.094 -23.307 1.00 51.78 C ATOM 108 C GLU A 48 -7.221 -3.464 -22.966 1.00 39.58 C ATOM 109 O GLU A 48 -6.216 -3.764 -23.575 1.00 47.87 O ATOM 110 CB GLU A 48 -9.514 -3.078 -24.005 1.00 61.37 C ATOM 111 CG GLU A 48 -10.252 -2.086 -23.080 1.00 72.84 C ATOM 112 CD GLU A 48 -11.731 -2.563 -22.636 1.00 97.79 C ATOM 113 OE1 GLU A 48 -12.063 -3.721 -22.777 1.00121.05 O ATOM 114 OE2 GLU A 48 -12.183 -1.717 -21.669 1.00 95.71 O ATOM 115 H GLU A 48 -10.172 -4.442 -21.864 1.00 0.00 H ATOM 116 N SER A 49 -7.214 -2.723 -21.850 1.00 33.85 N ATOM 117 CA SER A 49 -6.088 -1.913 -21.513 1.00 34.47 C ATOM 118 C SER A 49 -4.958 -2.696 -20.686 1.00 33.39 C ATOM 119 O SER A 49 -4.146 -2.002 -20.098 1.00 37.28 O ATOM 120 CB SER A 49 -6.600 -0.650 -20.726 1.00 38.73 C ATOM 121 OG SER A 49 -7.449 -1.003 -19.532 1.00 37.70 O ATOM 122 HG SER A 49 -6.919 -1.555 -18.903 1.00 0.00 H ATOM 123 H SER A 49 -8.041 -2.738 -21.220 1.00 0.00 H ATOM 124 N GLY A 50 -4.891 -4.095 -20.646 1.00 42.52 N ATOM 125 CA GLY A 50 -3.921 -4.822 -19.758 1.00 14.86 C ATOM 126 C GLY A 50 -4.530 -4.756 -18.394 1.00 10.04 C ATOM 127 O GLY A 50 -5.773 -4.701 -18.239 1.00 11.72 O ATOM 128 H GLY A 50 -5.533 -4.648 -21.250 1.00 0.00 H ATOM 129 N TYR A 51 -3.683 -4.847 -17.387 1.00 7.12 N ATOM 130 CA TYR A 51 -4.152 -4.763 -16.029 1.00 5.31 C ATOM 131 C TYR A 51 -4.341 -3.319 -15.521 1.00 5.32 C ATOM 132 O TYR A 51 -4.994 -3.111 -14.504 1.00 6.40 O ATOM 133 CB TYR A 51 -3.203 -5.492 -15.082 1.00 5.20 C ATOM 134 CG TYR A 51 -3.151 -6.979 -15.290 1.00 5.05 C ATOM 135 CD1 TYR A 51 -4.239 -7.789 -14.988 1.00 4.89 C ATOM 136 CD2 TYR A 51 -2.007 -7.598 -15.797 1.00 5.72 C ATOM 137 CE1 TYR A 51 -4.198 -9.157 -15.166 1.00 4.85 C ATOM 138 CE2 TYR A 51 -1.950 -8.979 -15.980 1.00 5.77 C ATOM 139 CZ TYR A 51 -3.059 -9.759 -15.672 1.00 5.05 C ATOM 140 OH TYR A 51 -3.069 -11.110 -15.832 1.00 5.76 O ATOM 141 HH TYR A 51 -2.906 -11.330 -16.784 1.00 0.00 H ATOM 142 H TYR A 51 -2.669 -4.980 -17.576 1.00 0.00 H ATOM 143 N GLY A 52 -3.710 -2.357 -16.197 1.00 5.19 N ATOM 144 CA GLY A 52 -3.913 -0.982 -15.823 1.00 5.27 C ATOM 145 C GLY A 52 -3.114 -0.519 -14.600 1.00 4.55 C ATOM 146 O GLY A 52 -3.605 0.272 -13.801 1.00 4.73 O ATOM 147 H GLY A 52 -3.078 -2.598 -16.987 1.00 0.00 H ATOM 148 N PHE A 53 -1.860 -0.970 -14.477 1.00 4.21 N ATOM 149 CA PHE A 53 -0.997 -0.423 -13.443 1.00 3.73 C ATOM 150 C PHE A 53 0.440 -0.520 -13.906 1.00 3.36 C ATOM 151 O PHE A 53 0.761 -1.351 -14.777 1.00 4.53 O ATOM 152 CB PHE A 53 -1.210 -1.103 -12.065 1.00 3.75 C ATOM 153 CG PHE A 53 -0.688 -2.527 -11.982 1.00 3.89 C ATOM 154 CD1 PHE A 53 0.535 -2.793 -11.381 1.00 4.66 C ATOM 155 CD2 PHE A 53 -1.424 -3.592 -12.493 1.00 4.49 C ATOM 156 CE1 PHE A 53 1.004 -4.101 -11.266 1.00 5.47 C ATOM 157 CE2 PHE A 53 -0.947 -4.896 -12.383 1.00 4.98 C ATOM 158 CZ PHE A 53 0.268 -5.152 -11.765 1.00 5.17 C ATOM 159 H PHE A 53 -1.505 -1.708 -15.118 1.00 0.00 H ATOM 160 N ASN A 54 1.302 0.280 -13.295 1.00 3.37 N ATOM 161 CA ASN A 54 2.746 0.158 -13.485 1.00 3.44 C ATOM 162 C ASN A 54 3.358 -0.394 -12.198 1.00 3.32 C ATOM 163 O ASN A 54 2.918 -0.056 -11.094 1.00 3.60 O ATOM 164 CB ASN A 54 3.422 1.512 -13.757 1.00 3.60 C ATOM 165 CG ASN A 54 3.066 2.148 -15.093 1.00 4.02 C ATOM 166 OD1 ASN A 54 2.096 1.801 -15.758 1.00 4.87 O ATOM 167 ND2 ASN A 54 3.861 3.136 -15.469 1.00 5.16 N ATOM 168 HD22 ASN A 54 4.675 3.402 -14.879 1.00 0.00 H ATOM 169 HD21 ASN A 54 3.672 3.647 -16.355 1.00 0.00 H ATOM 170 H ASN A 54 0.939 1.019 -12.659 1.00 0.00 H ATOM 171 N VAL A 55 4.397 -1.217 -12.371 1.00 3.66 N ATOM 172 CA VAL A 55 5.168 -1.724 -11.242 1.00 3.67 C ATOM 173 C VAL A 55 6.587 -1.166 -11.342 1.00 3.71 C ATOM 174 O VAL A 55 7.185 -1.148 -12.420 1.00 4.26 O ATOM 175 CB VAL A 55 5.152 -3.282 -11.211 1.00 4.35 C ATOM 176 CG1 VAL A 55 5.614 -3.956 -12.519 1.00 4.66 C ATOM 177 CG2 VAL A 55 5.940 -3.811 -10.016 1.00 5.20 C ATOM 178 H VAL A 55 4.662 -1.503 -13.335 1.00 0.00 H ATOM 179 N ARG A 56 7.106 -0.742 -10.191 1.00 4.06 N ATOM 180 CA ARG A 56 8.433 -0.117 -10.120 1.00 4.00 C ATOM 181 C ARG A 56 9.192 -0.729 -8.946 1.00 3.76 C ATOM 182 O ARG A 56 8.657 -0.926 -7.864 1.00 4.31 O ATOM 183 CB ARG A 56 8.272 1.385 -9.906 1.00 4.89 C ATOM 184 CG ARG A 56 9.601 2.119 -9.829 1.00 5.73 C ATOM 185 CD ARG A 56 9.397 3.603 -9.684 1.00 6.53 C ATOM 186 NE ARG A 56 10.676 4.327 -9.682 1.00 7.99 N ATOM 187 CZ ARG A 56 11.364 4.663 -10.748 1.00 7.68 C ATOM 188 NH1 ARG A 56 10.856 4.596 -11.940 1.00 8.06 N ATOM 189 NH2 ARG A 56 12.601 5.093 -10.575 1.00 10.93 N ATOM 190 HE ARG A 56 11.069 4.596 -8.758 1.00 0.00 H ATOM 191 HH12 ARG A 56 11.427 4.869 -12.765 1.00 0.00 H ATOM 192 HH11 ARG A 56 9.877 4.269 -12.071 1.00 0.00 H ATOM 193 HH22 ARG A 56 13.176 5.368 -11.397 1.00 0.00 H ATOM 194 HH21 ARG A 56 13.000 5.157 -9.617 1.00 0.00 H ATOM 195 H ARG A 56 6.555 -0.857 -9.316 1.00 0.00 H ATOM 196 N GLY A 57 10.503 -0.946 -9.150 1.00 3.84 N ATOM 197 CA GLY A 57 11.347 -1.299 -8.048 1.00 4.08 C ATOM 198 C GLY A 57 12.711 -1.730 -8.525 1.00 3.93 C ATOM 199 O GLY A 57 13.085 -1.579 -9.690 1.00 4.43 O ATOM 200 H GLY A 57 10.903 -0.858 -10.106 1.00 0.00 H ATOM 201 N GLN A 58 13.476 -2.282 -7.582 1.00 4.10 N ATOM 202 CA GLN A 58 14.894 -2.541 -7.819 1.00 3.96 C ATOM 203 C GLN A 58 15.095 -3.647 -8.844 1.00 3.99 C ATOM 204 O GLN A 58 14.338 -4.622 -8.928 1.00 4.13 O ATOM 205 CB GLN A 58 15.587 -2.930 -6.503 1.00 4.54 C ATOM 206 CG GLN A 58 15.151 -4.275 -5.948 1.00 4.86 C ATOM 207 CD GLN A 58 15.804 -4.608 -4.634 1.00 5.10 C ATOM 208 OE1 GLN A 58 16.300 -3.737 -3.913 1.00 6.95 O ATOM 209 NE2 GLN A 58 15.827 -5.875 -4.273 1.00 6.64 N ATOM 210 HE22 GLN A 58 15.406 -6.599 -4.889 1.00 0.00 H ATOM 211 HE21 GLN A 58 16.266 -6.151 -3.372 1.00 0.00 H ATOM 212 H GLN A 58 13.056 -2.532 -6.664 1.00 0.00 H ATOM 213 N VAL A 59 16.201 -3.540 -9.585 1.00 4.79 N ATOM 214 CA VAL A 59 16.615 -4.567 -10.518 1.00 5.84 C ATOM 215 C VAL A 59 17.250 -5.763 -9.825 1.00 5.40 C ATOM 216 O VAL A 59 17.144 -6.888 -10.319 1.00 6.42 O ATOM 217 CB VAL A 59 17.606 -3.932 -11.544 1.00 9.60 C ATOM 218 CG1 VAL A 59 18.448 -4.942 -12.331 1.00 8.85 C ATOM 219 CG2 VAL A 59 16.826 -2.942 -12.426 1.00 9.75 C ATOM 220 H VAL A 59 16.787 -2.686 -9.488 1.00 0.00 H ATOM 221 N SER A 60 17.940 -5.517 -8.724 1.00 6.04 N ATOM 222 CA SER A 60 18.690 -6.539 -8.009 1.00 6.59 C ATOM 223 C SER A 60 17.829 -7.334 -7.041 1.00 5.34 C ATOM 224 O SER A 60 16.642 -7.064 -6.852 1.00 5.85 O ATOM 225 CB SER A 60 19.862 -5.881 -7.312 1.00 8.69 C ATOM 226 OG SER A 60 19.393 -4.976 -6.422 1.00 12.39 O ATOM 227 HG SER A 60 18.860 -4.291 -6.899 1.00 0.00 H ATOM 228 H SER A 60 17.947 -4.546 -8.351 1.00 0.00 H ATOM 229 N GLU A 61 18.454 -8.352 -6.456 1.00 5.60 N ATOM 230 CA GLU A 61 17.859 -9.198 -5.448 1.00 5.51 C ATOM 231 C GLU A 61 18.257 -8.730 -4.049 1.00 5.33 C ATOM 232 O GLU A 61 19.438 -8.384 -3.823 1.00 6.45 O ATOM 233 CB GLU A 61 18.369 -10.656 -5.641 1.00 7.50 C ATOM 234 CG GLU A 61 18.099 -11.630 -4.490 1.00 8.02 C ATOM 235 CD GLU A 61 16.648 -11.898 -4.342 1.00 7.49 C ATOM 236 OE1 GLU A 61 15.867 -11.906 -5.280 1.00 8.44 O ATOM 237 OE2 GLU A 61 16.270 -12.183 -3.091 1.00 8.92 O ATOM 238 H GLU A 61 19.434 -8.551 -6.743 1.00 0.00 H ATOM 239 N GLY A 62 17.361 -8.823 -3.105 1.00 4.92 N ATOM 240 CA GLY A 62 17.705 -8.632 -1.696 1.00 5.25 C ATOM 241 C GLY A 62 17.955 -7.165 -1.364 1.00 4.89 C ATOM 242 O GLY A 62 17.264 -6.291 -1.880 1.00 6.74 O ATOM 243 H GLY A 62 16.376 -9.039 -3.361 1.00 0.00 H ATOM 244 N GLY A 63 18.901 -6.917 -0.484 1.00 4.32 N ATOM 245 CA GLY A 63 19.255 -5.569 -0.126 1.00 5.02 C ATOM 246 C GLY A 63 18.721 -5.099 1.245 1.00 4.48 C ATOM 247 O GLY A 63 18.119 -5.828 2.037 1.00 4.87 O ATOM 248 H GLY A 63 19.403 -7.711 -0.038 1.00 0.00 H ATOM 249 N GLN A 64 18.951 -3.814 1.458 1.00 5.48 N ATOM 250 CA GLN A 64 18.707 -3.129 2.711 1.00 5.94 C ATOM 251 C GLN A 64 17.271 -3.274 3.181 1.00 4.86 C ATOM 252 O GLN A 64 16.327 -2.977 2.466 1.00 5.78 O ATOM 253 CB GLN A 64 19.039 -1.625 2.492 1.00 7.86 C ATOM 254 CG GLN A 64 18.677 -0.637 3.553 1.00 8.43 C ATOM 255 CD GLN A 64 19.438 -0.886 4.789 1.00 9.60 C ATOM 256 OE1 GLN A 64 18.775 -1.056 5.909 1.00 10.17 O ATOM 257 NE2 GLN A 64 20.694 -0.821 4.758 1.00 10.70 N ATOM 258 HE22 GLN A 64 21.185 -0.686 3.852 1.00 0.00 H ATOM 259 HE21 GLN A 64 21.241 -0.903 5.639 1.00 0.00 H ATOM 260 H GLN A 64 19.335 -3.255 0.669 1.00 0.00 H ATOM 261 N LEU A 65 17.087 -3.655 4.449 1.00 4.44 N ATOM 262 CA LEU A 65 15.746 -3.741 5.002 1.00 4.13 C ATOM 263 C LEU A 65 15.138 -2.339 5.161 1.00 4.32 C ATOM 264 O LEU A 65 15.836 -1.378 5.443 1.00 5.05 O ATOM 265 CB LEU A 65 15.739 -4.414 6.368 1.00 4.31 C ATOM 266 CG LEU A 65 16.369 -5.812 6.433 1.00 4.03 C ATOM 267 CD1 LEU A 65 16.122 -6.376 7.825 1.00 4.58 C ATOM 268 CD2 LEU A 65 15.837 -6.750 5.353 1.00 4.42 C ATOM 269 H LEU A 65 17.908 -3.891 5.043 1.00 0.00 H ATOM 270 N ARG A 66 13.816 -2.293 5.007 1.00 4.74 N ATOM 271 CA ARG A 66 13.053 -1.050 5.169 1.00 5.70 C ATOM 272 C ARG A 66 11.665 -1.446 5.659 1.00 4.72 C ATOM 273 O ARG A 66 11.021 -2.335 5.082 1.00 5.68 O ATOM 274 CB ARG A 66 12.949 -0.306 3.851 1.00 8.42 C ATOM 275 CG ARG A 66 12.240 1.105 3.961 1.00 22.40 C ATOM 276 CD ARG A 66 12.012 1.661 2.571 1.00 40.27 C ATOM 277 NE ARG A 66 11.039 2.773 2.480 1.00 47.93 N ATOM 278 CZ ARG A 66 10.025 2.831 1.602 1.00 69.70 C ATOM 279 NH1 ARG A 66 9.847 1.862 0.680 1.00 63.32 N ATOM 280 NH2 ARG A 66 9.199 3.877 1.635 1.00 75.15 N ATOM 281 HE ARG A 66 11.149 3.566 3.144 1.00 0.00 H ATOM 282 HH12 ARG A 66 9.056 1.923 0.008 1.00 0.00 H ATOM 283 HH11 ARG A 66 10.501 1.054 0.642 1.00 0.00 H ATOM 284 HH22 ARG A 66 8.409 3.937 0.962 1.00 0.00 H ATOM 285 HH21 ARG A 66 9.345 4.633 2.334 1.00 0.00 H ATOM 286 H ARG A 66 13.307 -3.167 4.764 1.00 0.00 H ATOM 287 N SER A 67 11.193 -0.831 6.732 1.00 4.96 N ATOM 288 CA SER A 67 9.855 -1.127 7.195 1.00 5.13 C ATOM 289 C SER A 67 8.792 -0.434 6.341 1.00 5.40 C ATOM 290 O SER A 67 9.011 0.671 5.832 1.00 6.55 O ATOM 291 CB SER A 67 9.685 -0.726 8.646 1.00 6.18 C ATOM 292 OG SER A 67 10.630 -1.484 9.371 1.00 6.59 O ATOM 293 HG SER A 67 10.563 -1.260 10.333 1.00 0.00 H ATOM 294 H SER A 67 11.781 -0.139 7.239 1.00 0.00 H ATOM 295 N ILE A 68 7.665 -1.108 6.201 1.00 5.60 N ATOM 296 CA ILE A 68 6.484 -0.588 5.535 1.00 6.59 C ATOM 297 C ILE A 68 5.351 -0.621 6.583 1.00 7.97 C ATOM 298 O ILE A 68 5.048 -1.694 7.111 1.00 8.28 O ATOM 299 CB ILE A 68 6.109 -1.423 4.291 1.00 7.08 C ATOM 300 CG1 ILE A 68 7.299 -1.590 3.347 1.00 7.88 C ATOM 301 CG2 ILE A 68 4.906 -0.797 3.607 1.00 8.56 C ATOM 302 CD1 ILE A 68 7.799 -0.377 2.625 1.00 9.00 C ATOM 303 H ILE A 68 7.621 -2.071 6.592 1.00 0.00 H ATOM 304 N ASN A 69 4.823 0.547 6.904 1.00 9.60 N ATOM 305 CA ASN A 69 3.845 0.695 7.966 1.00 11.68 C ATOM 306 C ASN A 69 4.377 0.043 9.246 1.00 10.84 C ATOM 307 O ASN A 69 3.607 -0.580 9.973 1.00 11.42 O ATOM 308 CB ASN A 69 2.469 0.155 7.613 1.00 13.30 C ATOM 309 CG ASN A 69 1.979 0.650 6.305 1.00 12.26 C ATOM 310 OD1 ASN A 69 2.231 1.784 5.876 1.00 16.02 O ATOM 311 ND2 ASN A 69 1.170 -0.167 5.623 1.00 14.09 N ATOM 312 HD22 ASN A 69 0.963 -1.118 5.989 1.00 0.00 H ATOM 313 HD21 ASN A 69 0.748 0.148 4.726 1.00 0.00 H ATOM 314 H ASN A 69 5.120 1.392 6.376 1.00 0.00 H ATOM 315 N GLY A 70 5.668 0.231 9.561 1.00 9.36 N ATOM 316 CA GLY A 70 6.177 -0.266 10.819 1.00 7.92 C ATOM 317 C GLY A 70 6.449 -1.758 10.847 1.00 5.99 C ATOM 318 O GLY A 70 6.845 -2.229 11.919 1.00 5.98 O ATOM 319 H GLY A 70 6.299 0.732 8.903 1.00 0.00 H ATOM 320 N GLU A 71 6.310 -2.472 9.733 1.00 6.03 N ATOM 321 CA GLU A 71 6.584 -3.902 9.639 1.00 5.54 C ATOM 322 C GLU A 71 7.857 -4.081 8.810 1.00 4.82 C ATOM 323 O GLU A 71 7.944 -3.557 7.701 1.00 5.27 O ATOM 324 CB GLU A 71 5.397 -4.606 8.950 1.00 7.02 C ATOM 325 CG GLU A 71 5.527 -6.109 8.928 1.00 8.58 C ATOM 326 CD GLU A 71 5.332 -6.715 10.277 1.00 9.63 C ATOM 327 OE1 GLU A 71 4.209 -6.618 10.768 1.00 12.97 O ATOM 328 OE2 GLU A 71 6.307 -7.277 10.825 1.00 10.15 O ATOM 329 H GLU A 71 5.986 -1.980 8.876 1.00 0.00 H ATOM 330 N LEU A 72 8.826 -4.814 9.333 1.00 4.75 N ATOM 331 CA LEU A 72 10.122 -4.944 8.681 1.00 4.56 C ATOM 332 C LEU A 72 10.045 -5.856 7.449 1.00 4.30 C ATOM 333 O LEU A 72 9.543 -6.966 7.534 1.00 5.12 O ATOM 334 CB LEU A 72 11.097 -5.518 9.715 1.00 4.97 C ATOM 335 CG LEU A 72 12.581 -5.472 9.366 1.00 4.74 C ATOM 336 CD1 LEU A 72 13.082 -4.050 9.290 1.00 5.90 C ATOM 337 CD2 LEU A 72 13.350 -6.252 10.406 1.00 5.89 C ATOM 338 H LEU A 72 8.658 -5.310 10.232 1.00 0.00 H ATOM 339 N TYR A 73 10.625 -5.406 6.332 1.00 4.28 N ATOM 340 CA TYR A 73 10.689 -6.201 5.110 1.00 4.28 C ATOM 341 C TYR A 73 12.021 -5.944 4.402 1.00 3.95 C ATOM 342 O TYR A 73 12.617 -4.880 4.500 1.00 4.55 O ATOM 343 CB TYR A 73 9.546 -5.856 4.125 1.00 5.42 C ATOM 344 CG TYR A 73 8.161 -6.219 4.568 1.00 4.89 C ATOM 345 CD1 TYR A 73 7.722 -7.527 4.499 1.00 6.35 C ATOM 346 CD2 TYR A 73 7.293 -5.263 5.028 1.00 5.81 C ATOM 347 CE1 TYR A 73 6.447 -7.879 4.827 1.00 8.73 C ATOM 348 CE2 TYR A 73 5.966 -5.610 5.387 1.00 7.28 C ATOM 349 CZ TYR A 73 5.554 -6.920 5.280 1.00 8.30 C ATOM 350 OH TYR A 73 4.254 -7.278 5.524 1.00 10.94 O ATOM 351 HH TYR A 73 4.016 -7.039 6.455 1.00 0.00 H ATOM 352 H TYR A 73 11.046 -4.455 6.334 1.00 0.00 H ATOM 353 N ALA A 74 12.424 -6.935 3.591 1.00 3.80 N ATOM 354 CA ALA A 74 13.381 -6.706 2.528 1.00 3.72 C ATOM 355 C ALA A 74 12.743 -5.801 1.467 1.00 3.64 C ATOM 356 O ALA A 74 11.524 -5.565 1.493 1.00 4.05 O ATOM 357 CB ALA A 74 13.827 -8.039 1.938 1.00 4.36 C ATOM 358 H ALA A 74 12.039 -7.891 3.729 1.00 0.00 H ATOM 359 N PRO A 75 13.514 -5.293 0.507 1.00 3.95 N ATOM 360 CA PRO A 75 12.929 -4.363 -0.479 1.00 3.75 C ATOM 361 C PRO A 75 11.752 -4.991 -1.214 1.00 3.73 C ATOM 362 O PRO A 75 11.795 -6.142 -1.640 1.00 3.93 O ATOM 363 CB PRO A 75 14.102 -4.078 -1.407 1.00 4.60 C ATOM 364 CG PRO A 75 15.309 -4.146 -0.493 1.00 4.80 C ATOM 365 CD PRO A 75 14.999 -5.342 0.389 1.00 4.48 C ATOM 366 N LEU A 76 10.736 -4.159 -1.456 1.00 3.82 N ATOM 367 CA LEU A 76 9.508 -4.568 -2.127 1.00 3.84 C ATOM 368 C LEU A 76 9.304 -3.727 -3.388 1.00 3.63 C ATOM 369 O LEU A 76 9.396 -2.496 -3.337 1.00 5.02 O ATOM 370 CB LEU A 76 8.283 -4.392 -1.246 1.00 4.18 C ATOM 371 CG LEU A 76 8.344 -5.144 0.100 1.00 4.68 C ATOM 372 CD1 LEU A 76 7.089 -4.872 0.916 1.00 6.09 C ATOM 373 CD2 LEU A 76 8.583 -6.601 -0.066 1.00 5.52 C ATOM 374 H LEU A 76 10.825 -3.169 -1.150 1.00 0.00 H ATOM 375 N GLN A 77 8.926 -4.380 -4.473 1.00 2.92 N ATOM 376 CA GLN A 77 8.419 -3.674 -5.645 1.00 3.16 C ATOM 377 C GLN A 77 7.099 -2.998 -5.255 1.00 3.11 C ATOM 378 O GLN A 77 6.420 -3.415 -4.322 1.00 3.67 O ATOM 379 CB GLN A 77 8.179 -4.666 -6.795 1.00 3.71 C ATOM 380 CG GLN A 77 9.380 -5.539 -7.148 1.00 3.73 C ATOM 381 CD GLN A 77 10.480 -4.840 -7.914 1.00 3.61 C ATOM 382 OE1 GLN A 77 10.223 -4.035 -8.816 1.00 4.44 O ATOM 383 NE2 GLN A 77 11.729 -5.200 -7.637 1.00 4.69 N ATOM 384 HE22 GLN A 77 11.917 -5.879 -6.872 1.00 0.00 H ATOM 385 HE21 GLN A 77 12.518 -4.802 -8.185 1.00 0.00 H ATOM 386 H GLN A 77 8.991 -5.418 -4.492 1.00 0.00 H ATOM 387 N HIS A 78 6.728 -1.941 -6.005 1.00 3.46 N ATOM 388 CA HIS A 78 5.488 -1.253 -5.672 1.00 3.50 C ATOM 389 C HIS A 78 4.771 -0.793 -6.934 1.00 3.37 C ATOM 390 O HIS A 78 5.303 -0.765 -8.025 1.00 4.15 O ATOM 391 CB HIS A 78 5.746 -0.073 -4.696 1.00 4.16 C ATOM 392 CG HIS A 78 6.364 1.123 -5.317 1.00 5.02 C ATOM 393 ND1 HIS A 78 7.717 1.288 -5.488 1.00 5.71 N ATOM 394 CD2 HIS A 78 5.798 2.244 -5.828 1.00 6.36 C ATOM 395 CE1 HIS A 78 7.963 2.456 -6.070 1.00 7.03 C ATOM 396 NE2 HIS A 78 6.795 3.060 -6.287 1.00 7.28 N ATOM 397 H HIS A 78 7.314 -1.624 -6.804 1.00 0.00 H ATOM 398 N VAL A 79 3.509 -0.387 -6.711 1.00 3.56 N ATOM 399 CA VAL A 79 2.672 0.121 -7.788 1.00 3.65 C ATOM 400 C VAL A 79 2.959 1.625 -7.944 1.00 3.57 C ATOM 401 O VAL A 79 2.686 2.423 -7.044 1.00 4.41 O ATOM 402 CB VAL A 79 1.196 -0.132 -7.448 1.00 3.95 C ATOM 403 CG1 VAL A 79 0.307 0.518 -8.509 1.00 4.57 C ATOM 404 CG2 VAL A 79 0.927 -1.627 -7.354 1.00 4.41 C ATOM 405 H VAL A 79 3.122 -0.437 -5.747 1.00 0.00 H ATOM 406 N SER A 80 3.516 1.988 -9.094 1.00 3.63 N ATOM 407 CA SER A 80 3.897 3.382 -9.353 1.00 3.87 C ATOM 408 C SER A 80 2.835 4.162 -10.132 1.00 3.69 C ATOM 409 O SER A 80 2.931 5.384 -10.203 1.00 4.95 O ATOM 410 CB SER A 80 5.214 3.417 -10.107 1.00 3.94 C ATOM 411 OG SER A 80 5.136 2.559 -11.226 1.00 4.29 O ATOM 412 HG SER A 80 5.995 2.581 -11.718 1.00 0.00 H ATOM 413 H SER A 80 3.686 1.269 -9.826 1.00 0.00 H ATOM 414 N ALA A 81 1.841 3.477 -10.690 1.00 3.60 N ATOM 415 CA ALA A 81 0.773 4.171 -11.415 1.00 3.59 C ATOM 416 C ALA A 81 -0.437 3.241 -11.458 1.00 3.59 C ATOM 417 O ALA A 81 -0.292 2.022 -11.512 1.00 3.81 O ATOM 418 CB ALA A 81 1.172 4.512 -12.854 1.00 4.23 C ATOM 419 H ALA A 81 1.821 2.440 -10.611 1.00 0.00 H ATOM 420 N VAL A 82 -1.619 3.857 -11.456 1.00 3.87 N ATOM 421 CA VAL A 82 -2.884 3.130 -11.628 1.00 4.13 C ATOM 422 C VAL A 82 -3.696 3.867 -12.680 1.00 4.32 C ATOM 423 O VAL A 82 -3.996 5.052 -12.538 1.00 5.12 O ATOM 424 CB VAL A 82 -3.656 3.029 -10.304 1.00 5.21 C ATOM 425 CG1 VAL A 82 -5.019 2.405 -10.536 1.00 6.57 C ATOM 426 CG2 VAL A 82 -2.865 2.230 -9.283 1.00 5.95 C ATOM 427 H VAL A 82 -1.647 4.889 -11.328 1.00 0.00 H ATOM 428 N LEU A 83 -4.045 3.153 -13.735 1.00 4.65 N ATOM 429 CA LEU A 83 -4.850 3.719 -14.827 1.00 5.52 C ATOM 430 C LEU A 83 -6.276 3.941 -14.329 1.00 5.69 C ATOM 431 O LEU A 83 -6.939 2.985 -13.912 1.00 5.97 O ATOM 432 CB LEU A 83 -4.853 2.701 -15.986 1.00 6.78 C ATOM 433 CG LEU A 83 -5.645 3.073 -17.235 1.00 9.83 C ATOM 434 CD1 LEU A 83 -4.962 4.208 -17.951 1.00 12.75 C ATOM 435 CD2 LEU A 83 -5.785 1.862 -18.162 1.00 10.53 C ATOM 436 H LEU A 83 -3.741 2.160 -13.795 1.00 0.00 H ATOM 437 N PRO A 84 -6.820 5.164 -14.378 1.00 6.59 N ATOM 438 CA PRO A 84 -8.190 5.367 -13.909 1.00 7.90 C ATOM 439 C PRO A 84 -9.155 4.534 -14.695 1.00 8.40 C ATOM 440 O PRO A 84 -9.127 4.506 -15.934 1.00 10.14 O ATOM 441 CB PRO A 84 -8.422 6.874 -14.129 1.00 9.66 C ATOM 442 CG PRO A 84 -7.085 7.426 -14.223 1.00 9.09 C ATOM 443 CD PRO A 84 -6.161 6.427 -14.781 1.00 7.42 C ATOM 444 N GLY A 85 -10.024 3.799 -14.002 1.00 8.87 N ATOM 445 CA GLY A 85 -11.013 2.980 -14.641 1.00 9.75 C ATOM 446 C GLY A 85 -10.519 1.654 -15.150 1.00 8.97 C ATOM 447 O GLY A 85 -11.334 0.864 -15.649 1.00 10.65 O ATOM 448 H GLY A 85 -9.984 3.820 -12.963 1.00 0.00 H ATOM 449 N GLY A 86 -9.234 1.389 -15.058 1.00 7.59 N ATOM 450 CA GLY A 86 -8.701 0.132 -15.457 1.00 7.43 C ATOM 451 C GLY A 86 -8.969 -0.966 -14.441 1.00 6.89 C ATOM 452 O GLY A 86 -9.573 -0.757 -13.397 1.00 7.11 O ATOM 453 H GLY A 86 -8.592 2.117 -14.684 1.00 0.00 H ATOM 454 N ALA A 87 -8.501 -2.161 -14.788 1.00 6.92 N ATOM 455 CA ALA A 87 -8.838 -3.325 -13.977 1.00 7.13 C ATOM 456 C ALA A 87 -8.267 -3.216 -12.566 1.00 6.48 C ATOM 457 O ALA A 87 -8.918 -3.541 -11.581 1.00 7.03 O ATOM 458 CB ALA A 87 -8.376 -4.595 -14.689 1.00 8.58 C ATOM 459 H ALA A 87 -7.900 -2.265 -15.630 1.00 0.00 H ATOM 460 N ALA A 88 -6.999 -2.772 -12.458 1.00 5.76 N ATOM 461 CA ALA A 88 -6.390 -2.646 -11.152 1.00 5.68 C ATOM 462 C ALA A 88 -7.134 -1.610 -10.286 1.00 5.49 C ATOM 463 O ALA A 88 -7.394 -1.841 -9.116 1.00 6.13 O ATOM 464 CB ALA A 88 -4.906 -2.287 -11.294 1.00 5.87 C ATOM 465 H ALA A 88 -6.460 -2.521 -13.311 1.00 0.00 H ATOM 466 N ASP A 89 -7.479 -0.473 -10.904 1.00 5.68 N ATOM 467 CA ASP A 89 -8.236 0.540 -10.184 1.00 6.18 C ATOM 468 C ASP A 89 -9.545 -0.020 -9.635 1.00 6.61 C ATOM 469 O ASP A 89 -9.900 0.158 -8.482 1.00 8.12 O ATOM 470 CB ASP A 89 -8.532 1.700 -11.129 1.00 7.01 C ATOM 471 CG ASP A 89 -9.143 2.919 -10.442 1.00 8.82 C ATOM 472 OD1 ASP A 89 -8.899 3.154 -9.280 1.00 12.66 O ATOM 473 OD2 ASP A 89 -9.867 3.669 -11.184 1.00 10.83 O ATOM 474 H ASP A 89 -7.207 -0.315 -11.895 1.00 0.00 H ATOM 475 N ARG A 90 -10.269 -0.735 -10.491 1.00 7.39 N ATOM 476 CA ARG A 90 -11.573 -1.282 -10.071 1.00 8.33 C ATOM 477 C ARG A 90 -11.401 -2.345 -8.974 1.00 8.55 C ATOM 478 O ARG A 90 -12.324 -2.506 -8.194 1.00 10.55 O ATOM 479 CB ARG A 90 -12.342 -1.795 -11.278 1.00 9.71 C ATOM 480 CG ARG A 90 -12.728 -0.682 -12.226 1.00 11.56 C ATOM 481 CD ARG A 90 -13.416 -1.099 -13.520 1.00 15.04 C ATOM 482 NE ARG A 90 -12.594 -1.744 -14.610 1.00 22.51 N ATOM 483 CZ ARG A 90 -12.405 -3.073 -14.819 1.00 20.96 C ATOM 484 NH1 ARG A 90 -12.796 -4.019 -13.972 1.00 20.08 N ATOM 485 NH2 ARG A 90 -11.693 -3.452 -15.880 1.00 22.96 N ATOM 486 HE ARG A 90 -12.120 -1.099 -15.274 1.00 0.00 H ATOM 487 HH12 ARG A 90 -12.620 -5.020 -14.193 1.00 0.00 H ATOM 488 HH11 ARG A 90 -13.278 -3.759 -13.088 1.00 0.00 H ATOM 489 HH22 ARG A 90 -11.533 -4.463 -16.064 1.00 0.00 H ATOM 490 HH21 ARG A 90 -11.298 -2.737 -16.524 1.00 0.00 H ATOM 491 H ARG A 90 -9.917 -0.908 -11.454 1.00 0.00 H ATOM 492 N ALA A 91 -10.282 -3.004 -8.922 1.00 8.52 N ATOM 493 CA ALA A 91 -9.965 -3.986 -7.836 1.00 9.56 C ATOM 494 C ALA A 91 -9.453 -3.316 -6.577 1.00 9.39 C ATOM 495 O ALA A 91 -9.174 -4.029 -5.585 1.00 11.63 O ATOM 496 CB ALA A 91 -8.963 -5.023 -8.396 1.00 10.86 C ATOM 497 H ALA A 91 -9.575 -2.842 -9.668 1.00 0.00 H ATOM 498 N GLY A 92 -9.273 -2.019 -6.592 1.00 8.88 N ATOM 499 CA GLY A 92 -8.855 -1.283 -5.419 1.00 8.91 C ATOM 500 C GLY A 92 -7.333 -1.143 -5.253 1.00 8.68 C ATOM 501 O GLY A 92 -6.912 -0.748 -4.157 1.00 10.54 O ATOM 502 H GLY A 92 -9.436 -1.500 -7.478 1.00 0.00 H ATOM 503 N VAL A 93 -6.567 -1.444 -6.276 1.00 7.34 N ATOM 504 CA VAL A 93 -5.122 -1.162 -6.219 1.00 6.70 C ATOM 505 C VAL A 93 -4.890 0.333 -6.239 1.00 6.63 C ATOM 506 O VAL A 93 -5.547 1.040 -7.000 1.00 7.08 O ATOM 507 CB VAL A 93 -4.432 -1.869 -7.377 1.00 6.59 C ATOM 508 CG1 VAL A 93 -2.947 -1.566 -7.392 1.00 6.81 C ATOM 509 CG2 VAL A 93 -4.642 -3.367 -7.351 1.00 8.16 C ATOM 510 H VAL A 93 -6.979 -1.881 -7.125 1.00 0.00 H ATOM 511 N ARG A 94 -3.936 0.797 -5.439 1.00 7.44 N ATOM 512 CA ARG A 94 -3.646 2.218 -5.326 1.00 8.38 C ATOM 513 C ARG A 94 -2.170 2.445 -5.550 1.00 6.66 C ATOM 514 O ARG A 94 -1.314 1.616 -5.244 1.00 5.86 O ATOM 515 CB ARG A 94 -4.026 2.723 -3.941 1.00 12.32 C ATOM 516 CG ARG A 94 -5.521 2.627 -3.737 1.00 35.24 C ATOM 517 CD ARG A 94 -6.334 3.498 -4.749 1.00 33.39 C ATOM 518 NE ARG A 94 -7.819 3.297 -4.692 1.00 35.37 N ATOM 519 CZ ARG A 94 -8.584 2.596 -5.567 1.00 45.35 C ATOM 520 NH1 ARG A 94 -8.095 1.947 -6.704 1.00 56.53 N ATOM 521 NH2 ARG A 94 -9.894 2.535 -5.268 1.00 43.02 N ATOM 522 HE ARG A 94 -8.317 3.743 -3.895 1.00 0.00 H ATOM 523 HH12 ARG A 94 -8.746 1.429 -7.327 1.00 0.00 H ATOM 524 HH11 ARG A 94 -7.080 1.982 -6.927 1.00 0.00 H ATOM 525 HH22 ARG A 94 -10.546 2.016 -5.890 1.00 0.00 H ATOM 526 HH21 ARG A 94 -10.255 3.007 -4.415 1.00 0.00 H ATOM 527 H ARG A 94 -3.379 0.123 -4.876 1.00 0.00 H ATOM 528 N LYS A 95 -1.857 3.658 -6.039 1.00 7.42 N ATOM 529 CA LYS A 95 -0.508 4.108 -6.085 1.00 7.38 C ATOM 530 C LYS A 95 0.156 3.937 -4.750 1.00 6.63 C ATOM 531 O LYS A 95 -0.414 4.217 -3.661 1.00 7.69 O ATOM 532 CB LYS A 95 -0.470 5.621 -6.336 1.00 10.05 C ATOM 533 CG LYS A 95 -0.772 5.999 -7.772 1.00 13.60 C ATOM 534 CD LYS A 95 -0.601 7.661 -7.855 1.00 13.41 C ATOM 535 CE LYS A 95 -1.599 8.610 -7.310 1.00 33.68 C ATOM 536 NZ LYS A 95 -1.056 10.015 -7.732 1.00 19.29 N ATOM 537 HZ1 LYS A 95 -0.112 10.159 -7.320 1.00 0.00 H ATOM 538 HZ2 LYS A 95 -0.994 10.064 -8.769 1.00 0.00 H ATOM 539 HZ3 LYS A 95 -1.702 10.753 -7.387 1.00 0.00 H ATOM 540 H LYS A 95 -2.615 4.278 -6.390 1.00 0.00 H ATOM 541 N GLY A 96 1.378 3.456 -4.802 1.00 6.10 N ATOM 542 CA GLY A 96 2.152 3.237 -3.624 1.00 6.19 C ATOM 543 C GLY A 96 1.986 1.867 -2.978 1.00 5.54 C ATOM 544 O GLY A 96 2.739 1.511 -2.068 1.00 6.59 O ATOM 545 H GLY A 96 1.792 3.229 -5.728 1.00 0.00 H ATOM 546 N ASP A 97 1.030 1.074 -3.438 1.00 5.04 N ATOM 547 CA ASP A 97 0.856 -0.258 -2.849 1.00 4.69 C ATOM 548 C ASP A 97 2.152 -1.060 -3.044 1.00 4.15 C ATOM 549 O ASP A 97 2.698 -1.141 -4.140 1.00 4.94 O ATOM 550 CB ASP A 97 -0.300 -1.008 -3.500 1.00 5.12 C ATOM 551 CG ASP A 97 -1.687 -0.556 -3.018 1.00 6.20 C ATOM 552 OD1 ASP A 97 -1.766 0.294 -2.092 1.00 7.14 O ATOM 553 OD2 ASP A 97 -2.662 -1.084 -3.572 1.00 7.60 O ATOM 554 H ASP A 97 0.409 1.393 -4.209 1.00 0.00 H ATOM 555 N ARG A 98 2.591 -1.692 -1.961 1.00 3.97 N ATOM 556 CA ARG A 98 3.749 -2.568 -2.024 1.00 3.65 C ATOM 557 C ARG A 98 3.299 -3.985 -2.327 1.00 3.96 C ATOM 558 O ARG A 98 2.253 -4.433 -1.845 1.00 5.80 O ATOM 559 CB ARG A 98 4.551 -2.507 -0.709 1.00 4.40 C ATOM 560 CG ARG A 98 5.717 -1.537 -0.760 1.00 5.22 C ATOM 561 CD ARG A 98 5.299 -0.092 -0.968 1.00 5.51 C ATOM 562 NE ARG A 98 6.505 0.726 -1.226 1.00 6.94 N ATOM 563 CZ ARG A 98 6.490 1.968 -1.701 1.00 8.91 C ATOM 564 NH1 ARG A 98 5.339 2.622 -1.868 1.00 9.60 N ATOM 565 NH2 ARG A 98 7.635 2.574 -1.979 1.00 11.59 N ATOM 566 HE ARG A 98 7.431 0.299 -1.021 1.00 0.00 H ATOM 567 HH12 ARG A 98 5.342 3.593 -2.240 1.00 0.00 H ATOM 568 HH11 ARG A 98 4.439 2.161 -1.626 1.00 0.00 H ATOM 569 HH22 ARG A 98 7.632 3.545 -2.351 1.00 0.00 H ATOM 570 HH21 ARG A 98 8.536 2.078 -1.825 1.00 0.00 H ATOM 571 H ARG A 98 2.099 -1.558 -1.055 1.00 0.00 H ATOM 572 N ILE A 99 4.095 -4.685 -3.114 1.00 3.49 N ATOM 573 CA ILE A 99 3.728 -6.014 -3.594 1.00 3.51 C ATOM 574 C ILE A 99 4.501 -7.065 -2.792 1.00 3.56 C ATOM 575 O ILE A 99 5.732 -7.151 -2.827 1.00 4.43 O ATOM 576 CB ILE A 99 4.013 -6.146 -5.097 1.00 3.97 C ATOM 577 CG1 ILE A 99 3.222 -5.086 -5.887 1.00 4.89 C ATOM 578 CG2 ILE A 99 3.672 -7.563 -5.563 1.00 4.94 C ATOM 579 CD1 ILE A 99 3.642 -4.951 -7.331 1.00 7.24 C ATOM 580 H ILE A 99 5.009 -4.279 -3.400 1.00 0.00 H ATOM 581 N LEU A 100 3.734 -7.873 -2.044 1.00 3.47 N ATOM 582 CA LEU A 100 4.277 -8.940 -1.195 1.00 3.59 C ATOM 583 C LEU A 100 4.271 -10.300 -1.870 1.00 3.32 C ATOM 584 O LEU A 100 5.148 -11.125 -1.593 1.00 3.72 O ATOM 585 CB LEU A 100 3.473 -9.012 0.114 1.00 4.39 C ATOM 586 CG LEU A 100 3.661 -7.849 1.069 1.00 6.92 C ATOM 587 CD1 LEU A 100 2.587 -7.848 2.149 1.00 9.33 C ATOM 588 CD2 LEU A 100 5.039 -7.925 1.713 1.00 8.72 C ATOM 589 H LEU A 100 2.703 -7.736 -2.067 1.00 0.00 H ATOM 590 N GLU A 101 3.236 -10.576 -2.658 1.00 3.04 N ATOM 591 CA GLU A 101 3.126 -11.844 -3.376 1.00 3.07 C ATOM 592 C GLU A 101 2.544 -11.557 -4.762 1.00 2.95 C ATOM 593 O GLU A 101 1.712 -10.652 -4.916 1.00 3.34 O ATOM 594 CB GLU A 101 2.199 -12.859 -2.697 1.00 3.36 C ATOM 595 CG GLU A 101 2.564 -13.184 -1.270 1.00 3.83 C ATOM 596 CD GLU A 101 1.603 -14.210 -0.669 1.00 4.12 C ATOM 597 OE1 GLU A 101 0.385 -14.032 -0.785 1.00 5.25 O ATOM 598 OE2 GLU A 101 2.100 -15.244 -0.136 1.00 5.78 O ATOM 599 H GLU A 101 2.482 -9.868 -2.767 1.00 0.00 H ATOM 600 N VAL A 102 2.951 -12.382 -5.729 1.00 3.03 N ATOM 601 CA VAL A 102 2.342 -12.382 -7.054 1.00 3.04 C ATOM 602 C VAL A 102 1.965 -13.824 -7.361 1.00 3.17 C ATOM 603 O VAL A 102 2.813 -14.720 -7.317 1.00 3.35 O ATOM 604 CB VAL A 102 3.277 -11.856 -8.142 1.00 3.22 C ATOM 605 CG1 VAL A 102 2.544 -11.858 -9.480 1.00 3.86 C ATOM 606 CG2 VAL A 102 3.789 -10.457 -7.821 1.00 3.78 C ATOM 607 H VAL A 102 3.727 -13.046 -5.531 1.00 0.00 H ATOM 608 N ASN A 103 0.683 -14.046 -7.665 1.00 3.51 N ATOM 609 CA ASN A 103 0.198 -15.386 -7.998 1.00 3.84 C ATOM 610 C ASN A 103 0.623 -16.433 -6.968 1.00 3.96 C ATOM 611 O ASN A 103 0.970 -17.560 -7.290 1.00 4.51 O ATOM 612 CB ASN A 103 0.560 -15.761 -9.423 1.00 3.93 C ATOM 613 CG ASN A 103 -0.215 -14.913 -10.412 1.00 3.96 C ATOM 614 OD1 ASN A 103 -1.411 -14.647 -10.200 1.00 4.67 O ATOM 615 ND2 ASN A 103 0.412 -14.515 -11.499 1.00 4.19 N ATOM 616 HD22 ASN A 103 1.413 -14.758 -11.640 1.00 0.00 H ATOM 617 HD21 ASN A 103 -0.094 -13.958 -12.217 1.00 0.00 H ATOM 618 H ASN A 103 0.015 -13.249 -7.665 1.00 0.00 H ATOM 619 N GLY A 104 0.523 -16.036 -5.691 1.00 4.22 N ATOM 620 CA GLY A 104 0.810 -16.920 -4.580 1.00 4.68 C ATOM 621 C GLY A 104 2.280 -17.156 -4.277 1.00 4.66 C ATOM 622 O GLY A 104 2.586 -17.959 -3.391 1.00 6.41 O ATOM 623 H GLY A 104 0.229 -15.059 -5.491 1.00 0.00 H ATOM 624 N VAL A 105 3.175 -16.445 -4.969 1.00 3.71 N ATOM 625 CA VAL A 105 4.620 -16.578 -4.778 1.00 3.80 C ATOM 626 C VAL A 105 5.113 -15.350 -4.015 1.00 3.68 C ATOM 627 O VAL A 105 4.857 -14.206 -4.405 1.00 3.76 O ATOM 628 CB VAL A 105 5.335 -16.699 -6.125 1.00 4.22 C ATOM 629 CG1 VAL A 105 6.846 -16.787 -5.916 1.00 5.24 C ATOM 630 CG2 VAL A 105 4.810 -17.918 -6.892 1.00 5.61 C ATOM 631 H VAL A 105 2.829 -15.766 -5.676 1.00 0.00 H ATOM 632 N ASN A 106 5.839 -15.595 -2.934 1.00 3.82 N ATOM 633 CA ASN A 106 6.411 -14.543 -2.122 1.00 3.71 C ATOM 634 C ASN A 106 7.500 -13.804 -2.927 1.00 3.79 C ATOM 635 O ASN A 106 8.420 -14.431 -3.436 1.00 5.14 O ATOM 636 CB ASN A 106 6.974 -15.215 -0.853 1.00 4.96 C ATOM 637 CG ASN A 106 7.612 -14.275 0.125 1.00 5.28 C ATOM 638 OD1 ASN A 106 8.407 -13.386 -0.242 1.00 5.84 O ATOM 639 ND2 ASN A 106 7.464 -14.596 1.426 1.00 7.32 N ATOM 640 HD22 ASN A 106 6.794 -15.341 1.705 1.00 0.00 H ATOM 641 HD21 ASN A 106 8.020 -14.098 2.151 1.00 0.00 H ATOM 642 H ASN A 106 6.004 -16.584 -2.658 1.00 0.00 H ATOM 643 N VAL A 107 7.352 -12.486 -3.039 1.00 3.27 N ATOM 644 CA VAL A 107 8.285 -11.659 -3.798 1.00 3.34 C ATOM 645 C VAL A 107 8.958 -10.620 -2.919 1.00 3.21 C ATOM 646 O VAL A 107 9.477 -9.605 -3.415 1.00 3.58 O ATOM 647 CB VAL A 107 7.635 -11.025 -5.047 1.00 3.31 C ATOM 648 CG1 VAL A 107 7.289 -12.122 -6.052 1.00 4.12 C ATOM 649 CG2 VAL A 107 6.421 -10.191 -4.696 1.00 3.42 C ATOM 650 H VAL A 107 6.544 -12.030 -2.570 1.00 0.00 H ATOM 651 N GLU A 108 9.047 -10.881 -1.609 1.00 3.39 N ATOM 652 CA GLU A 108 9.844 -10.014 -0.754 1.00 4.04 C ATOM 653 C GLU A 108 11.305 -10.092 -1.209 1.00 3.56 C ATOM 654 O GLU A 108 11.853 -11.177 -1.406 1.00 4.00 O ATOM 655 CB GLU A 108 9.699 -10.460 0.690 1.00 5.05 C ATOM 656 CG GLU A 108 10.454 -9.664 1.621 1.00 6.22 C ATOM 657 CD GLU A 108 10.170 -9.940 3.133 1.00 6.28 C ATOM 658 OE1 GLU A 108 9.250 -10.750 3.395 1.00 7.37 O ATOM 659 OE2 GLU A 108 11.066 -9.413 3.967 1.00 2.62 O ATOM 660 H GLU A 108 8.549 -11.699 -1.204 1.00 0.00 H ATOM 661 N GLY A 109 11.939 -8.923 -1.379 1.00 3.82 N ATOM 662 CA GLY A 109 13.300 -8.866 -1.846 1.00 3.95 C ATOM 663 C GLY A 109 13.527 -9.223 -3.319 1.00 3.85 C ATOM 664 O GLY A 109 14.674 -9.276 -3.754 1.00 4.81 O ATOM 665 H GLY A 109 11.436 -8.037 -1.169 1.00 0.00 H ATOM 666 N ALA A 110 12.467 -9.465 -4.072 1.00 4.00 N ATOM 667 CA ALA A 110 12.630 -10.012 -5.417 1.00 4.16 C ATOM 668 C ALA A 110 13.185 -8.970 -6.395 1.00 3.84 C ATOM 669 O ALA A 110 13.051 -7.764 -6.238 1.00 4.49 O ATOM 670 CB ALA A 110 11.284 -10.526 -5.931 1.00 5.34 C ATOM 671 H ALA A 110 11.514 -9.265 -3.706 1.00 0.00 H ATOM 672 N THR A 111 13.763 -9.506 -7.466 1.00 4.13 N ATOM 673 CA THR A 111 14.164 -8.651 -8.576 1.00 3.89 C ATOM 674 C THR A 111 12.945 -8.145 -9.324 1.00 3.59 C ATOM 675 O THR A 111 11.867 -8.752 -9.347 1.00 3.97 O ATOM 676 CB THR A 111 15.065 -9.420 -9.554 1.00 4.39 C ATOM 677 OG1 THR A 111 14.244 -10.370 -10.255 1.00 5.49 O ATOM 678 CG2 THR A 111 16.246 -10.083 -8.890 1.00 5.33 C ATOM 679 HG1 THR A 111 14.803 -10.880 -10.893 1.00 0.00 H ATOM 680 H THR A 111 13.928 -10.532 -7.511 1.00 0.00 H ATOM 681 N HIS A 112 13.150 -7.028 -10.045 1.00 3.81 N ATOM 682 CA HIS A 112 12.063 -6.497 -10.858 1.00 3.76 C ATOM 683 C HIS A 112 11.638 -7.533 -11.891 1.00 4.03 C ATOM 684 O HIS A 112 10.421 -7.718 -12.119 1.00 4.33 O ATOM 685 CB HIS A 112 12.535 -5.204 -11.540 1.00 4.06 C ATOM 686 CG HIS A 112 11.416 -4.494 -12.244 1.00 3.76 C ATOM 687 ND1 HIS A 112 10.469 -3.749 -11.561 1.00 4.02 N ATOM 688 CD2 HIS A 112 11.111 -4.391 -13.553 1.00 4.33 C ATOM 689 CE1 HIS A 112 9.630 -3.213 -12.436 1.00 4.35 C ATOM 690 NE2 HIS A 112 9.997 -3.583 -13.659 1.00 4.43 N ATOM 691 H HIS A 112 14.073 -6.549 -10.023 1.00 0.00 H ATOM 692 N LYS A 113 12.594 -8.198 -12.526 1.00 4.59 N ATOM 693 CA LYS A 113 12.270 -9.203 -13.546 1.00 5.29 C ATOM 694 C LYS A 113 11.415 -10.322 -12.954 1.00 4.84 C ATOM 695 O LYS A 113 10.476 -10.789 -13.598 1.00 5.07 O ATOM 696 CB LYS A 113 13.556 -9.762 -14.133 1.00 6.98 C ATOM 697 CG LYS A 113 13.310 -10.912 -15.113 1.00 9.55 C ATOM 698 CD LYS A 113 14.526 -11.413 -15.801 1.00 13.40 C ATOM 699 CE LYS A 113 14.337 -12.676 -16.624 1.00 16.06 C ATOM 700 NZ LYS A 113 13.163 -12.780 -17.481 1.00 18.13 N ATOM 701 HZ1 LYS A 113 12.304 -12.711 -16.899 1.00 0.00 H ATOM 702 HZ2 LYS A 113 13.175 -12.008 -18.178 1.00 0.00 H ATOM 703 HZ3 LYS A 113 13.176 -13.695 -17.975 1.00 0.00 H ATOM 704 H LYS A 113 13.590 -8.004 -12.297 1.00 0.00 H ATOM 705 N GLN A 114 11.760 -10.785 -11.749 1.00 4.72 N ATOM 706 CA GLN A 114 10.971 -11.865 -11.161 1.00 4.70 C ATOM 707 C GLN A 114 9.521 -11.446 -11.010 1.00 4.11 C ATOM 708 O GLN A 114 8.591 -12.236 -11.272 1.00 4.39 O ATOM 709 CB GLN A 114 11.529 -12.286 -9.806 1.00 5.10 C ATOM 710 CG GLN A 114 12.739 -13.152 -10.009 1.00 6.37 C ATOM 711 CD GLN A 114 13.501 -13.344 -8.719 1.00 6.95 C ATOM 712 OE1 GLN A 114 13.386 -12.558 -7.773 1.00 6.85 O ATOM 713 NE2 GLN A 114 14.275 -14.388 -8.667 1.00 9.81 N ATOM 714 HE22 GLN A 114 14.344 -15.026 -9.486 1.00 0.00 H ATOM 715 HE21 GLN A 114 14.825 -14.585 -7.807 1.00 0.00 H ATOM 716 H GLN A 114 12.574 -10.385 -11.240 1.00 0.00 H ATOM 717 N VAL A 115 9.289 -10.222 -10.526 1.00 3.86 N ATOM 718 CA VAL A 115 7.926 -9.737 -10.321 1.00 3.55 C ATOM 719 C VAL A 115 7.213 -9.527 -11.652 1.00 3.58 C ATOM 720 O VAL A 115 6.038 -9.913 -11.780 1.00 3.79 O ATOM 721 CB VAL A 115 7.957 -8.507 -9.409 1.00 3.62 C ATOM 722 CG1 VAL A 115 6.610 -7.806 -9.361 1.00 4.77 C ATOM 723 CG2 VAL A 115 8.360 -8.958 -8.006 1.00 5.11 C ATOM 724 H VAL A 115 10.092 -9.604 -10.291 1.00 0.00 H ATOM 725 N VAL A 116 7.860 -8.921 -12.638 1.00 3.64 N ATOM 726 CA VAL A 116 7.252 -8.758 -13.953 1.00 4.17 C ATOM 727 C VAL A 116 6.864 -10.121 -14.549 1.00 3.93 C ATOM 728 O VAL A 116 5.759 -10.291 -15.063 1.00 4.32 O ATOM 729 CB VAL A 116 8.202 -7.967 -14.873 1.00 4.94 C ATOM 730 CG1 VAL A 116 7.793 -8.067 -16.341 1.00 6.80 C ATOM 731 CG2 VAL A 116 8.288 -6.519 -14.428 1.00 5.83 C ATOM 732 H VAL A 116 8.819 -8.555 -12.470 1.00 0.00 H ATOM 733 N ASP A 117 7.788 -11.080 -14.485 1.00 4.18 N ATOM 734 CA ASP A 117 7.511 -12.384 -15.077 1.00 4.49 C ATOM 735 C ASP A 117 6.357 -13.071 -14.357 1.00 3.95 C ATOM 736 O ASP A 117 5.515 -13.723 -14.970 1.00 4.66 O ATOM 737 CB ASP A 117 8.765 -13.259 -15.051 1.00 5.74 C ATOM 738 CG ASP A 117 9.862 -12.794 -16.014 1.00 7.08 C ATOM 739 OD1 ASP A 117 9.596 -11.915 -16.865 1.00 8.92 O ATOM 740 OD2 ASP A 117 10.969 -13.359 -15.895 1.00 8.76 O ATOM 741 H ASP A 117 8.699 -10.900 -14.017 1.00 0.00 H ATOM 742 N LEU A 118 6.303 -12.953 -13.020 1.00 3.76 N ATOM 743 CA LEU A 118 5.186 -13.523 -12.281 1.00 3.68 C ATOM 744 C LEU A 118 3.871 -12.846 -12.644 1.00 3.52 C ATOM 745 O LEU A 118 2.834 -13.525 -12.744 1.00 3.88 O ATOM 746 CB LEU A 118 5.444 -13.454 -10.771 1.00 3.91 C ATOM 747 CG LEU A 118 6.266 -14.621 -10.254 1.00 4.64 C ATOM 748 CD1 LEU A 118 6.930 -14.274 -8.924 1.00 5.63 C ATOM 749 CD2 LEU A 118 5.376 -15.865 -10.087 1.00 5.90 C ATOM 750 H LEU A 118 7.061 -12.453 -12.512 1.00 0.00 H ATOM 751 N ILE A 119 3.862 -11.525 -12.827 1.00 3.46 N ATOM 752 CA ILE A 119 2.633 -10.842 -13.206 1.00 3.59 C ATOM 753 C ILE A 119 2.148 -11.380 -14.552 1.00 3.83 C ATOM 754 O ILE A 119 0.926 -11.493 -14.778 1.00 4.17 O ATOM 755 CB ILE A 119 2.824 -9.311 -13.223 1.00 3.79 C ATOM 756 CG1 ILE A 119 2.998 -8.797 -11.796 1.00 3.83 C ATOM 757 CG2 ILE A 119 1.652 -8.620 -13.924 1.00 4.59 C ATOM 758 CD1 ILE A 119 3.554 -7.376 -11.724 1.00 4.47 C ATOM 759 H ILE A 119 4.738 -10.979 -12.698 1.00 0.00 H ATOM 760 N ARG A 120 3.072 -11.696 -15.435 1.00 4.13 N ATOM 761 CA ARG A 120 2.782 -12.228 -16.768 1.00 4.87 C ATOM 762 C ARG A 120 2.468 -13.726 -16.772 1.00 4.97 C ATOM 763 O ARG A 120 2.234 -14.276 -17.856 1.00 6.38 O ATOM 764 CB ARG A 120 3.921 -11.889 -17.725 1.00 5.58 C ATOM 765 CG ARG A 120 4.047 -10.381 -17.980 1.00 6.42 C ATOM 766 CD ARG A 120 5.297 -10.079 -18.794 1.00 8.74 C ATOM 767 NE ARG A 120 5.369 -8.659 -19.130 1.00 9.87 N ATOM 768 CZ ARG A 120 6.442 -8.043 -19.528 1.00 10.52 C ATOM 769 NH1 ARG A 120 7.562 -8.718 -19.668 1.00 11.37 N ATOM 770 NH2 ARG A 120 6.410 -6.761 -19.802 1.00 12.62 N ATOM 771 HE ARG A 120 4.497 -8.099 -19.044 1.00 0.00 H ATOM 772 HH12 ARG A 120 8.425 -8.233 -19.986 1.00 0.00 H ATOM 773 HH11 ARG A 120 7.584 -9.737 -19.461 1.00 0.00 H ATOM 774 HH22 ARG A 120 7.273 -6.276 -20.120 1.00 0.00 H ATOM 775 HH21 ARG A 120 5.522 -6.230 -19.701 1.00 0.00 H ATOM 776 H ARG A 120 4.068 -11.559 -15.170 1.00 0.00 H ATOM 777 N ALA A 121 2.442 -14.402 -15.631 1.00 4.61 N ATOM 778 CA ALA A 121 2.320 -15.864 -15.635 1.00 4.87 C ATOM 779 C ALA A 121 0.976 -16.329 -16.214 1.00 4.39 C ATOM 780 O ALA A 121 0.941 -17.331 -16.942 1.00 5.06 O ATOM 781 CB ALA A 121 2.445 -16.424 -14.220 1.00 5.83 C ATOM 782 H ALA A 121 2.509 -13.892 -14.727 1.00 0.00 H ATOM 783 N GLY A 122 -0.107 -15.642 -15.870 1.00 4.27 N ATOM 784 CA GLY A 122 -1.428 -15.998 -16.331 1.00 4.53 C ATOM 785 C GLY A 122 -1.760 -15.359 -17.677 1.00 4.64 C ATOM 786 O GLY A 122 -1.292 -14.268 -18.023 1.00 5.48 O ATOM 787 H GLY A 122 0.000 -14.817 -15.246 1.00 0.00 H ATOM 788 N GLU A 123 -2.643 -16.002 -18.435 1.00 4.98 N ATOM 789 CA GLU A 123 -3.056 -15.376 -19.676 1.00 5.42 C ATOM 790 C GLU A 123 -3.960 -14.185 -19.458 1.00 5.56 C ATOM 791 O GLU A 123 -3.940 -13.269 -20.272 1.00 7.64 O ATOM 792 CB GLU A 123 -3.683 -16.437 -20.620 1.00 6.38 C ATOM 793 CG GLU A 123 -4.961 -17.096 -20.080 1.00 6.13 C ATOM 794 CD GLU A 123 -5.454 -18.258 -20.907 1.00 6.86 C ATOM 795 OE1 GLU A 123 -4.809 -18.606 -21.918 1.00 9.01 O ATOM 796 OE2 GLU A 123 -6.520 -18.803 -20.504 1.00 8.68 O ATOM 797 H GLU A 123 -3.026 -16.925 -18.147 1.00 0.00 H ATOM 798 N LYS A 124 -4.755 -14.178 -18.391 1.00 5.07 N ATOM 799 CA LYS A 124 -5.660 -13.072 -18.177 1.00 6.88 C ATOM 800 C LYS A 124 -5.893 -12.699 -16.717 1.00 5.51 C ATOM 801 O LYS A 124 -6.347 -11.575 -16.493 1.00 6.40 O ATOM 802 CB LYS A 124 -6.946 -13.204 -18.881 1.00 12.27 C ATOM 803 CG LYS A 124 -7.822 -14.141 -18.372 1.00 13.39 C ATOM 804 CD LYS A 124 -9.174 -14.164 -19.212 1.00 22.69 C ATOM 805 CE LYS A 124 -10.232 -14.917 -18.426 1.00 30.82 C ATOM 806 NZ LYS A 124 -11.605 -14.624 -18.916 1.00 49.94 N ATOM 807 HZ1 LYS A 124 -11.795 -13.606 -18.824 1.00 0.00 H ATOM 808 HZ2 LYS A 124 -11.682 -14.903 -19.915 1.00 0.00 H ATOM 809 HZ3 LYS A 124 -12.295 -15.159 -18.351 1.00 0.00 H ATOM 810 H LYS A 124 -4.725 -14.966 -17.713 1.00 0.00 H ATOM 811 N GLU A 125 -5.616 -13.581 -15.781 1.00 4.80 N ATOM 812 CA GLU A 125 -5.867 -13.295 -14.381 1.00 5.01 C ATOM 813 C GLU A 125 -4.559 -13.147 -13.608 1.00 4.01 C ATOM 814 O GLU A 125 -3.592 -13.874 -13.848 1.00 4.30 O ATOM 815 CB GLU A 125 -6.731 -14.378 -13.756 1.00 5.68 C ATOM 816 CG GLU A 125 -7.133 -14.047 -12.329 1.00 6.67 C ATOM 817 CD GLU A 125 -8.254 -14.878 -11.784 1.00 6.15 C ATOM 818 OE1 GLU A 125 -8.844 -15.721 -12.456 1.00 7.14 O ATOM 819 OE2 GLU A 125 -8.522 -14.619 -10.544 1.00 7.76 O ATOM 820 H GLU A 125 -5.210 -14.500 -16.050 1.00 0.00 H ATOM 821 N LEU A 126 -4.606 -12.219 -12.660 1.00 4.21 N ATOM 822 CA LEU A 126 -3.514 -11.895 -11.776 1.00 3.83 C ATOM 823 C LEU A 126 -4.040 -11.850 -10.338 1.00 3.63 C ATOM 824 O LEU A 126 -5.060 -11.202 -10.077 1.00 4.57 O ATOM 825 CB LEU A 126 -2.970 -10.515 -12.159 1.00 4.27 C ATOM 826 CG LEU A 126 -1.902 -9.920 -11.233 1.00 4.28 C ATOM 827 CD1 LEU A 126 -0.637 -10.777 -11.242 1.00 4.63 C ATOM 828 CD2 LEU A 126 -1.599 -8.493 -11.676 1.00 5.43 C ATOM 829 H LEU A 126 -5.493 -11.688 -12.547 1.00 0.00 H ATOM 830 N ILE A 127 -3.327 -12.477 -9.412 1.00 3.60 N ATOM 831 CA ILE A 127 -3.630 -12.349 -7.983 1.00 3.79 C ATOM 832 C ILE A 127 -2.422 -11.695 -7.332 1.00 3.64 C ATOM 833 O ILE A 127 -1.289 -12.149 -7.514 1.00 4.94 O ATOM 834 CB ILE A 127 -4.007 -13.698 -7.356 1.00 4.13 C ATOM 835 CG1 ILE A 127 -5.167 -14.295 -8.145 1.00 5.35 C ATOM 836 CG2 ILE A 127 -4.326 -13.507 -5.881 1.00 4.69 C ATOM 837 CD1 ILE A 127 -5.914 -15.445 -7.495 1.00 5.18 C ATOM 838 H ILE A 127 -2.530 -13.077 -9.708 1.00 0.00 H ATOM 839 N LEU A 128 -2.655 -10.619 -6.576 1.00 3.76 N ATOM 840 CA LEU A 128 -1.598 -9.925 -5.863 1.00 3.97 C ATOM 841 C LEU A 128 -1.902 -9.907 -4.370 1.00 3.87 C ATOM 842 O LEU A 128 -3.066 -9.736 -3.978 1.00 4.92 O ATOM 843 CB LEU A 128 -1.454 -8.447 -6.268 1.00 4.54 C ATOM 844 CG LEU A 128 -1.102 -8.172 -7.724 1.00 4.81 C ATOM 845 CD1 LEU A 128 -1.115 -6.666 -7.981 1.00 6.35 C ATOM 846 CD2 LEU A 128 0.267 -8.755 -8.068 1.00 6.02 C ATOM 847 H LEU A 128 -3.630 -10.265 -6.495 1.00 0.00 H ATOM 848 N THR A 129 -0.864 -9.985 -3.561 1.00 3.87 N ATOM 849 CA THR A 129 -0.954 -9.625 -2.150 1.00 3.67 C ATOM 850 C THR A 129 -0.247 -8.284 -2.022 1.00 3.92 C ATOM 851 O THR A 129 0.941 -8.181 -2.352 1.00 4.15 O ATOM 852 CB THR A 129 -0.333 -10.669 -1.247 1.00 4.89 C ATOM 853 OG1 THR A 129 -0.976 -11.912 -1.551 1.00 7.21 O ATOM 854 CG2 THR A 129 -0.493 -10.320 0.209 1.00 7.00 C ATOM 855 HG1 THR A 129 -0.598 -12.626 -0.980 1.00 0.00 H ATOM 856 H THR A 129 0.047 -10.313 -3.940 1.00 0.00 H ATOM 857 N VAL A 130 -0.994 -7.262 -1.604 1.00 4.65 N ATOM 858 CA VAL A 130 -0.514 -5.896 -1.557 1.00 5.37 C ATOM 859 C VAL A 130 -0.672 -5.326 -0.159 1.00 5.24 C ATOM 860 O VAL A 130 -1.482 -5.758 0.639 1.00 6.20 O ATOM 861 CB VAL A 130 -1.213 -4.999 -2.589 1.00 6.57 C ATOM 862 CG1 VAL A 130 -0.747 -5.349 -4.009 1.00 8.60 C ATOM 863 CG2 VAL A 130 -2.727 -5.014 -2.475 1.00 10.45 C ATOM 864 H VAL A 130 -1.969 -7.455 -1.297 1.00 0.00 H ATOM 865 N LEU A 131 0.106 -4.268 0.065 1.00 5.55 N ATOM 866 CA LEU A 131 0.133 -3.523 1.316 1.00 5.38 C ATOM 867 C LEU A 131 0.041 -2.055 0.981 1.00 4.93 C ATOM 868 O LEU A 131 0.956 -1.516 0.363 1.00 5.95 O ATOM 869 CB LEU A 131 1.411 -3.893 1.989 1.00 7.70 C ATOM 870 CG LEU A 131 1.654 -3.295 3.306 1.00 8.58 C ATOM 871 CD1 LEU A 131 0.499 -3.579 4.298 1.00 9.63 C ATOM 872 CD2 LEU A 131 2.969 -3.775 3.877 1.00 10.82 C ATOM 873 H LEU A 131 0.734 -3.954 -0.702 1.00 0.00 H ATOM 874 N SER A 132 -1.049 -1.388 1.372 1.00 5.97 N ATOM 875 CA SER A 132 -1.194 0.015 1.104 1.00 6.61 C ATOM 876 C SER A 132 -0.435 0.845 2.134 1.00 7.89 C ATOM 877 O SER A 132 -0.299 0.460 3.262 1.00 11.08 O ATOM 878 CB SER A 132 -2.664 0.438 1.069 1.00 7.92 C ATOM 879 OG SER A 132 -3.347 -0.084 -0.016 1.00 8.63 O ATOM 880 HG SER A 132 -4.289 0.220 0.011 1.00 0.00 H ATOM 881 H SER A 132 -1.804 -1.893 1.878 1.00 0.00 H ATOM 882 N VAL A 133 0.036 1.999 1.696 1.00 8.93 N ATOM 883 CA VAL A 133 0.819 2.897 2.549 1.00 11.01 C ATOM 884 C VAL A 133 0.140 4.162 2.799 1.00 14.41 C ATOM 885 O VAL A 133 -0.880 4.507 2.181 1.00 19.34 O ATOM 886 CB VAL A 133 2.223 3.121 1.970 1.00 12.05 C ATOM 887 CG1 VAL A 133 2.929 1.820 1.909 1.00 14.34 C ATOM 888 CG2 VAL A 133 2.159 3.885 0.660 1.00 14.69 C ATOM 889 OXT VAL A 133 0.610 4.953 3.658 1.00 19.16 O ATOM 890 H VAL A 133 -0.155 2.279 0.713 1.00 0.00 H TER 891 VAL A 133 HETATM 892 O HOH 1 -4.982 -0.237 -2.494 1.00 29.49 O HETATM 893 O HOH 2 -2.659 -17.515 -23.924 1.00 26.55 O HETATM 894 O HOH 3 -8.126 -17.463 -19.410 1.00 17.81 O HETATM 895 O HOH 4 -5.932 -19.210 -24.524 1.00 21.08 O HETATM 896 O HOH 5 13.788 -12.711 -2.883 1.00 8.47 O HETATM 897 O HOH 6 -10.484 -15.837 -9.460 1.00 6.84 O HETATM 898 O HOH 7 -14.515 -1.195 -8.152 1.00 52.08 O HETATM 899 O HOH 8 -10.972 -1.526 -17.462 1.00 62.41 O HETATM 900 O HOH 9 1.883 4.357 6.001 1.00 28.53 O HETATM 901 O HOH 10 -5.909 0.388 0.080 1.00 49.34 O HETATM 902 O HOH 11 -2.306 -13.497 -3.148 1.00 8.65 O HETATM 903 O HOH 12 -9.451 0.627 -19.120 1.00 29.26 O HETATM 904 O HOH 13 2.482 -5.804 6.845 1.00 18.27 O HETATM 905 O HOH 14 -0.728 -11.902 -16.951 1.00 5.39 O HETATM 906 O HOH 15 15.833 -1.170 -3.370 1.00 11.58 O HETATM 907 O HOH 16 -10.532 4.806 -7.963 1.00 39.85 O HETATM 908 O HOH 17 -7.014 -2.244 -17.207 1.00 12.00 O HETATM 909 O HOH 18 -12.621 3.289 -11.141 1.00 37.06 O HETATM 910 O HOH 19 9.809 -0.234 -4.807 1.00 10.71 O HETATM 911 O HOH 20 -11.102 -6.025 -16.334 1.00 71.17 O HETATM 912 O HOH 21 -9.268 -10.742 -19.978 1.00 61.95 O HETATM 913 O HOH 22 9.253 -13.659 3.548 1.00 7.28 O HETATM 914 O HOH 23 -5.384 6.383 -10.658 1.00 53.46 O HETATM 915 O HOH 24 11.611 -14.746 -13.681 1.00 10.32 O HETATM 916 O HOH 25 -10.507 6.287 -11.235 1.00 26.81 O HETATM 917 O HOH 26 -0.839 2.668 -1.211 1.00 9.55 O HETATM 918 O HOH 27 8.180 -11.552 -19.132 1.00 17.72 O HETATM 919 O HOH 28 0.147 -10.732 -19.237 1.00 43.04 O HETATM 920 O HOH 29 6.129 -8.110 13.386 1.00 33.90 O HETATM 921 O HOH 30 4.410 -5.029 12.947 1.00 64.26 O HETATM 922 O HOH 31 3.729 -17.270 -0.903 1.00 9.74 O HETATM 923 O HOH 32 4.959 -12.125 1.124 1.00 7.58 O HETATM 924 O HOH 33 20.437 -5.850 -3.646 1.00 16.45 O HETATM 925 O HOH 34 4.210 -14.788 1.537 1.00 10.87 O HETATM 926 O HOH 35 22.479 -1.332 6.770 1.00 26.91 O HETATM 927 O HOH 36 16.083 1.351 5.286 1.00 9.03 O HETATM 928 O HOH 37 -11.106 -5.199 -11.663 1.00 13.09 O HETATM 929 O HOH 38 -6.441 -7.809 4.911 1.00 22.76 O HETATM 930 O HOH 39 -11.898 -11.950 -19.479 1.00 39.66 O HETATM 931 O HOH 40 18.957 -3.667 -3.190 1.00 11.50 O HETATM 932 O HOH 41 -0.321 -13.510 -4.985 1.00 8.06 O HETATM 933 O HOH 42 15.621 -0.684 1.111 1.00 8.45 O HETATM 934 O HOH 43 -6.347 0.342 -13.400 1.00 5.58 O HETATM 935 O HOH 44 9.854 -16.614 -2.549 1.00 14.85 O HETATM 936 O HOH 45 5.908 -15.095 -17.335 1.00 12.00 O HETATM 937 O HOH 46 -11.777 0.932 -6.500 1.00 53.07 O HETATM 938 O HOH 47 10.150 2.792 7.188 1.00 12.56 O HETATM 939 O HOH 48 -3.001 -16.049 -12.233 1.00 12.19 O HETATM 940 O HOH 49 -10.590 -6.232 -4.673 1.00 17.70 O HETATM 941 O HOH 50 -8.125 0.222 -1.859 1.00 29.00 O HETATM 942 O HOH 51 3.760 -20.473 -3.294 1.00 42.00 O HETATM 943 O HOH 52 21.762 -9.902 -3.956 1.00 29.18 O HETATM 944 O HOH 53 9.055 -0.363 -1.422 1.00 8.72 O HETATM 945 O HOH 54 19.011 -8.690 -11.318 1.00 27.91 O HETATM 946 O HOH 55 -3.272 -2.959 2.558 1.00 13.34 O HETATM 947 O HOH 56 -2.286 6.205 -3.125 1.00 26.68 O HETATM 948 O HOH 57 15.699 -12.061 -11.919 1.00 9.21 O HETATM 949 O HOH 58 -0.827 -13.525 -13.921 1.00 4.38 O HETATM 950 O HOH 59 12.732 -13.653 -5.289 1.00 12.72 O HETATM 951 O HOH 60 12.017 -5.853 -4.483 1.00 6.24 O HETATM 952 O HOH 61 10.725 -3.006 2.381 1.00 6.37 O HETATM 953 O HOH 62 18.946 -2.724 -8.032 1.00 10.77 O HETATM 954 O HOH 63 15.912 -14.508 -6.326 1.00 13.40 O HETATM 955 O HOH 64 17.206 -8.473 1.822 1.00 6.66 O HETATM 956 O HOH 65 -8.697 -7.591 -0.299 1.00 10.57 O HETATM 957 O HOH 66 6.038 3.017 6.340 1.00 19.98 O HETATM 958 O HOH 67 6.760 -4.606 13.415 1.00 8.51 O HETATM 959 O HOH 68 8.163 -7.105 -4.244 1.00 4.28 O HETATM 960 O HOH 69 0.815 -20.049 -5.970 1.00 7.50 O HETATM 961 O HOH 70 11.129 -13.903 -1.265 1.00 6.12 O HETATM 962 O HOH 71 15.479 -7.454 -12.536 1.00 7.41 O HETATM 963 O HOH 72 7.400 2.234 8.562 1.00 14.49 O HETATM 964 O HOH 73 -9.798 3.103 -18.303 1.00 29.15 O HETATM 965 O HOH 74 -5.997 -4.701 4.526 1.00 22.57 O HETATM 966 O HOH 75 2.642 -3.196 7.235 1.00 28.16 O HETATM 967 O HOH 76 1.585 -2.564 9.783 1.00 36.40 O HETATM 968 O HOH 77 9.540 -14.859 -11.848 1.00 8.95 O HETATM 969 O HOH 78 1.728 3.968 -17.575 1.00 8.32 O HETATM 970 O HOH 79 1.292 11.073 -6.486 1.00 21.52 O HETATM 971 O HOH 80 -15.339 -4.136 -12.656 1.00 32.99 O HETATM 972 O HOH 81 11.174 -9.696 -17.785 1.00 42.20 O HETATM 973 O HOH 82 -15.335 -14.256 -5.449 1.00 20.78 O HETATM 974 O HOH 83 -5.204 -16.336 -16.537 1.00 5.76 O HETATM 975 O HOH 84 1.885 -6.880 9.083 1.00 32.45 O HETATM 976 O HOH 85 5.924 -16.873 2.318 1.00 35.04 O HETATM 977 O HOH 86 -7.934 5.817 -18.220 1.00 28.97 O HETATM 978 O HOH 87 -10.190 -8.914 -5.600 1.00 9.83 O HETATM 979 O HOH 88 -2.540 12.362 -6.913 1.00 35.76 O HETATM 980 O HOH 89 -10.812 -7.651 -12.679 1.00 13.85 O HETATM 981 O HOH 90 12.095 -2.992 -5.132 1.00 6.05 O HETATM 982 O HOH 91 -0.779 2.081 -15.466 1.00 7.19 O HETATM 983 O HOH 92 21.101 -8.977 -7.481 1.00 25.79 O HETATM 984 O HOH 93 0.806 -19.592 -9.365 1.00 12.41 O HETATM 985 O HOH 94 14.512 -16.063 -11.036 1.00 20.11 O HETATM 986 O HOH 95 12.423 1.494 7.986 1.00 5.84 O HETATM 987 O HOH 96 -8.331 -3.690 -2.733 1.00 13.44 O HETATM 988 O HOH 97 19.528 -2.231 -0.939 1.00 12.65 O HETATM 989 O HOH 98 6.633 -18.351 -2.325 1.00 9.85 O HETATM 990 O HOH 99 -9.546 -15.930 -15.306 1.00 19.77 O HETATM 991 O HOH 100 13.841 -15.536 -18.259 1.00 76.25 O HETATM 992 O HOH 101 -4.044 5.320 -7.137 1.00 15.67 O HETATM 993 O HOH 102 10.518 2.661 -2.683 1.00 67.92 O HETATM 994 O HOH 103 -5.809 -3.028 6.354 1.00 30.14 O HETATM 995 O HOH 104 -14.274 1.551 -8.714 1.00 36.07 O HETATM 996 O HOH 105 9.168 -5.594 -19.984 1.00 24.75 O HETATM 997 O HOH 106 10.837 -1.607 0.128 1.00 6.84 O HETATM 998 O HOH 107 6.212 -9.979 12.344 1.00 43.35 O HETATM 999 O HOH 108 -6.452 4.991 -8.514 1.00 22.17 O HETATM 1000 O HOH 109 -11.579 -9.664 -10.615 1.00 35.63 O HETATM 1001 O HOH 110 -2.782 3.651 -0.304 1.00 56.68 O HETATM 1002 O HOH 111 2.492 6.128 -15.634 1.00 31.76 O HETATM 1003 O HOH 112 -10.975 -12.363 -10.688 1.00 39.63 O HETATM 1004 O HOH 113 -12.503 -5.694 -9.401 1.00 21.15 O HETATM 1005 O HOH 114 -4.804 -19.060 -26.333 1.00 67.49 O HETATM 1006 O HOH 115 18.504 2.423 6.296 1.00 23.04 O HETATM 1007 O HOH 116 -12.083 6.677 -13.850 1.00 56.85 O HETATM 1008 O HOH 117 -1.687 4.718 -15.951 1.00 8.42 O HETATM 1009 O HOH 118 -10.318 -17.441 -20.827 1.00 33.89 O HETATM 1010 O HOH 119 -3.113 7.536 -9.437 1.00 67.26 O HETATM 1011 O HOH 120 -11.764 -9.542 -6.797 1.00 77.13 O HETATM 1012 O HOH 121 5.281 -4.960 -22.794 1.00 27.92 O HETATM 1013 O HOH 122 -12.165 6.369 -16.978 1.00 30.68 O HETATM 1014 O HOH 123 -0.742 -18.006 -12.048 1.00 11.65 O HETATM 1015 O HOH 124 -2.360 -7.147 -21.594 1.00 40.76 O HETATM 1016 O HOH 125 18.020 -14.002 -8.027 1.00 26.58 O HETATM 1017 O HOH 126 14.774 -5.719 -14.517 1.00 23.09 O HETATM 1018 O HOH 127 -9.817 -6.135 -1.708 1.00 64.99 O HETATM 1019 O HOH 128 -9.878 7.595 -18.299 1.00 19.65 O HETATM 1020 O HOH 129 1.322 8.725 -4.794 1.00 26.17 O HETATM 1021 O HOH 130 13.119 -1.063 -3.106 1.00 13.41 O HETATM 1022 O HOH 131 2.843 -11.580 3.043 1.00 17.07 O HETATM 1023 O HOH 132 -2.467 -17.889 -26.464 1.00 40.91 O HETATM 1024 O HOH 133 11.994 -6.631 -16.221 1.00 14.36 O HETATM 1025 O HOH 134 17.695 -13.283 -10.582 1.00 32.57 O HETATM 1026 O HOH 135 23.355 -4.645 -7.518 1.00 40.83 O HETATM 1027 O HOH 136 -8.823 5.100 -20.007 1.00 37.74 O HETATM 1028 O HOH 137 -4.244 6.829 -4.757 1.00 28.62 O HETATM 1029 O HOH 138 16.099 1.628 2.560 1.00 15.65 O HETATM 1030 O HOH 139 17.007 -9.841 -13.362 1.00 19.77 O HETATM 1031 O HOH 140 13.228 -0.410 -0.310 1.00 11.89 O HETATM 1032 O HOH 141 15.967 -14.990 -15.123 1.00 48.02 O HETATM 1033 O HOH 142 6.158 -20.382 -3.852 1.00 28.25 O HETATM 1034 O HOH 143 14.287 -14.119 -13.150 1.00 12.26 O HETATM 1035 O HOH 144 22.979 -5.478 -1.196 1.00 36.22 O HETATM 1036 O HOH 145 17.241 -0.486 -1.059 1.00 12.14 O HETATM 1037 O HOH 146 21.570 -7.779 -9.973 1.00 27.32 O HETATM 1038 O HOH 147 22.783 -5.442 -3.505 1.00 57.15 O HETATM 1039 O HOH 148 6.702 -13.700 -19.776 1.00 60.15 O HETATM 1040 O HOH 149 22.244 -5.402 -10.095 1.00 61.46 O HETATM 1041 O HOH 150 19.580 -7.409 -14.090 1.00 51.35 O HETATM 1042 O HOH 151 9.017 -18.968 -3.175 1.00 29.68 O HETATM 1043 O HOH 152 -7.772 7.213 -7.454 1.00 54.01 O HETATM 1044 O HOH 153 -17.222 -13.190 -7.020 1.00 32.79 O HETATM 1045 O HOH 154 6.765 -19.138 0.249 1.00 22.38 O HETATM 1046 O HOH 155 -16.380 3.199 -6.876 1.00 62.77 O HETATM 1047 O HOH 156 -5.886 2.775 -22.014 1.00 26.39 O HETATM 1048 O HOH 157 -7.703 3.948 -20.532 1.00 46.64 O HETATM 1049 O HOH 158 -8.897 8.400 -10.281 1.00 36.09 O HETATM 1050 O HOH 159 -1.504 2.134 -19.813 1.00 15.00 O HETATM 1051 O HOH 160 19.661 -11.187 -10.544 1.00 33.95 O HETATM 1052 O HOH 161 -16.995 -15.111 -8.362 1.00 76.66 O HETATM 1053 O HOH 162 18.581 2.648 1.608 1.00 36.28 O HETATM 1054 O HOH 163 -9.633 4.610 -22.278 1.00 36.37 O HETATM 1055 O HOH 164 9.355 -21.206 -1.533 1.00 41.58 O HETATM 1056 O HOH 165 10.671 4.034 -6.413 1.00 16.49 O HETATM 1057 O HOH 166 -1.395 -1.522 -19.788 1.00 25.82 O HETATM 1058 O HOH 167 19.807 -3.443 -15.682 1.00 33.66 O HETATM 1059 O HOH 168 -0.534 -6.363 -19.705 1.00 23.38 O HETATM 1060 O HOH 169 7.736 6.842 -11.212 1.00 12.99 O HETATM 1061 O HOH 170 17.183 3.713 -10.917 1.00 48.25 O HETATM 1062 O HOH 171 9.846 5.789 -15.869 1.00 5.84 O HETATM 1063 O HOH 172 3.778 -5.626 -19.655 1.00 27.70 O HETATM 1064 O HOH 173 11.942 1.166 -4.261 1.00 47.17 O HETATM 1065 O HOH 174 18.217 -0.362 -6.653 1.00 36.77 O HETATM 1066 O HOH 175 -1.424 0.477 -17.575 1.00 11.89 O HETATM 1067 O HOH 176 10.508 -4.614 -17.715 1.00 25.50 O HETATM 1068 O HOH 177 4.216 6.267 -13.565 1.00 6.73 O HETATM 1069 O HOH 178 4.336 -2.894 -21.277 1.00 9.33 O HETATM 1070 O HOH 179 16.132 0.748 -5.242 1.00 22.63 O HETATM 1071 O HOH 180 21.320 -2.820 -9.580 1.00 18.20 O HETATM 1072 O HOH 181 0.792 -7.972 -18.570 1.00 35.02 O HETATM 1073 O HOH 182 1.330 -5.106 -21.482 1.00 34.34 O HETATM 1074 N GLU A 183 19.306 1.137 -8.649 1.00 0.24 N HETATM 1075 CA GLU A 183 18.823 0.992 -10.021 1.00 0.07 C HETATM 1076 C GLU A 183 17.396 0.405 -9.965 1.00 0.23 C HETATM 1077 O GLU A 183 17.235 -0.734 -9.499 1.00 -0.39 O HETATM 1078 N GLU A 183 16.437 1.229 -10.420 1.00 -0.26 N HETATM 1079 CA GLU A 183 15.029 0.856 -10.448 1.00 0.13 C HETATM 1080 C GLU A 183 14.492 0.895 -11.884 1.00 0.20 C HETATM 1081 O GLU A 183 14.885 1.724 -12.708 1.00 -0.39 O HETATM 1082 N GLU A 183 13.592 -0.015 -12.143 1.00 -0.26 N HETATM 1083 CA GLU A 183 12.874 -0.091 -13.398 1.00 0.14 C HETATM 1084 C GLU A 183 11.376 0.038 -13.146 1.00 0.21 C HETATM 1085 O GLU A 183 10.871 -0.407 -12.114 1.00 -0.39 O HETATM 1086 N GLU A 183 10.685 0.571 -14.136 1.00 -0.26 N HETATM 1087 CA GLU A 183 9.233 0.708 -14.143 1.00 0.16 C HETATM 1088 CB GLU A 183 9.021 2.201 -14.141 1.00 0.12 C HETATM 1089 OG GLU A 183 7.628 2.469 -13.946 1.00 -0.27 O HETATM 1090 P GLU A 183 7.271 4.030 -13.676 1.00 0.20 P HETATM 1091 O1P GLU A 183 8.058 4.659 -12.593 1.00 -0.55 O HETATM 1092 O2P GLU A 183 7.539 4.744 -15.045 1.00 -0.55 O HETATM 1093 O3P GLU A 183 5.781 3.933 -13.477 1.00 -0.55 O HETATM 1094 H27 GLU A 183 9.347 2.622 -15.103 1.00 0.07 H HETATM 1095 H28 GLU A 183 9.603 2.656 -13.326 1.00 0.07 H HETATM 1096 C GLU A 183 8.706 0.002 -15.383 1.00 0.21 C HETATM 1097 O GLU A 183 9.265 0.170 -16.462 1.00 -0.39 O HETATM 1098 N GLU A 183 7.626 -0.775 -15.235 1.00 -0.26 N HETATM 1099 CA GLU A 183 7.052 -1.540 -16.328 1.00 0.16 C HETATM 1100 C GLU A 183 5.535 -1.359 -16.322 1.00 0.21 C HETATM 1101 O GLU A 183 4.901 -1.424 -15.269 1.00 -0.39 O HETATM 1102 N GLU A 183 4.982 -1.187 -17.530 1.00 -0.26 N HETATM 1103 CA GLU A 183 3.543 -0.995 -17.724 1.00 0.13 C HETATM 1104 C GLU A 183 2.868 -2.349 -17.828 1.00 0.20 C HETATM 1105 O GLU A 183 3.251 -3.177 -18.693 1.00 -0.39 O HETATM 1106 N GLU A 183 1.878 -2.610 -17.013 1.00 -0.27 N HETATM 1107 CA GLU A 183 1.218 -3.927 -16.936 1.00 0.10 C HETATM 1108 C GLU A 183 -0.288 -3.798 -17.342 1.00 0.06 C HETATM 1109 O GLU A 183 -0.860 -4.858 -17.645 1.00 -0.57 O HETATM 1110 OXT GLU A 183 -0.891 -2.712 -17.253 1.00 -0.57 O HETATM 1111 CB GLU A 183 1.340 -4.550 -15.526 1.00 -0.01 C HETATM 1112 CG GLU A 183 2.704 -4.466 -14.829 1.00 -0.00 C HETATM 1113 SD GLU A 183 4.136 -5.000 -15.823 1.00 -0.16 S HETATM 1114 CE GLU A 183 3.823 -6.734 -15.998 1.00 -0.02 C HETATM 1115 H51 GLU A 183 4.628 -7.194 -16.590 1.00 0.03 H HETATM 1116 H52 GLU A 183 2.860 -6.883 -16.509 1.00 0.03 H HETATM 1117 H53 GLU A 183 3.787 -7.202 -15.003 1.00 0.03 H HETATM 1118 H49 GLU A 183 2.663 -5.098 -13.929 1.00 0.04 H HETATM 1119 H50 GLU A 183 2.869 -3.419 -14.535 1.00 0.04 H HETATM 1120 H47 GLU A 183 1.080 -5.615 -15.613 1.00 0.03 H HETATM 1121 H48 GLU A 183 0.608 -4.045 -14.879 1.00 0.03 H HETATM 1122 H46 GLU A 183 1.714 -4.600 -17.651 1.00 0.07 H HETATM 1123 H45 GLU A 183 1.552 -1.880 -16.412 1.00 0.19 H HETATM 1124 CB GLU A 183 3.285 -0.173 -18.998 1.00 -0.01 C HETATM 1125 CG1 GLU A 183 1.794 0.083 -19.154 1.00 -0.06 C HETATM 1126 H39 GLU A 183 1.617 0.671 -20.067 1.00 0.02 H HETATM 1127 H40 GLU A 183 1.424 0.641 -18.281 1.00 0.02 H HETATM 1128 H41 GLU A 183 1.263 -0.877 -19.228 1.00 0.02 H HETATM 1129 CG2 GLU A 183 4.039 1.153 -18.957 1.00 -0.06 C HETATM 1130 H42 GLU A 183 5.116 0.959 -18.844 1.00 0.02 H HETATM 1131 H43 GLU A 183 3.683 1.751 -18.105 1.00 0.02 H HETATM 1132 H44 GLU A 183 3.862 1.705 -19.892 1.00 0.02 H HETATM 1133 H38 GLU A 183 3.638 -0.750 -19.865 1.00 0.03 H HETATM 1134 H37 GLU A 183 3.132 -0.453 -16.860 1.00 0.08 H HETATM 1135 H36 GLU A 183 5.577 -1.190 -18.334 1.00 0.19 H HETATM 1136 CB GLU A 183 7.410 -3.040 -16.204 1.00 0.09 C HETATM 1137 OG1 GLU A 183 8.826 -3.146 -16.027 1.00 -0.39 O HETATM 1138 H32 GLU A 183 9.081 -2.682 -15.238 1.00 0.21 H HETATM 1139 CG2 GLU A 183 6.960 -3.865 -17.393 1.00 -0.03 C HETATM 1140 H33 GLU A 183 7.245 -4.916 -17.239 1.00 0.03 H HETATM 1141 H34 GLU A 183 7.441 -3.485 -18.306 1.00 0.03 H HETATM 1142 H35 GLU A 183 5.867 -3.793 -17.497 1.00 0.03 H HETATM 1143 H31 GLU A 183 6.910 -3.440 -15.310 1.00 0.06 H HETATM 1144 H30 GLU A 183 7.455 -1.160 -17.278 1.00 0.08 H HETATM 1145 H29 GLU A 183 7.196 -0.831 -14.334 1.00 0.19 H HETATM 1146 H26 GLU A 183 8.780 0.259 -13.247 1.00 0.08 H HETATM 1147 H25 GLU A 183 11.190 0.902 -14.933 1.00 0.19 H HETATM 1148 CB GLU A 183 13.135 -1.413 -14.112 1.00 0.00 C HETATM 1149 CG GLU A 183 14.415 -1.496 -14.878 1.00 -0.04 C HETATM 1150 CD1 GLU A 183 15.557 -0.782 -14.708 1.00 0.02 C HETATM 1151 NE1 GLU A 183 16.484 -1.192 -15.604 1.00 -0.29 N HETATM 1152 CE2 GLU A 183 15.961 -2.130 -16.432 1.00 0.06 C HETATM 1153 CD2 GLU A 183 14.644 -2.369 -15.990 1.00 -0.02 C HETATM 1154 CE3 GLU A 183 13.847 -3.272 -16.713 1.00 -0.07 C HETATM 1155 CZ3 GLU A 183 14.408 -3.939 -17.760 1.00 -0.08 C HETATM 1156 CH2 GLU A 183 15.711 -3.688 -18.177 1.00 -0.08 C HETATM 1157 CZ2 GLU A 183 16.515 -2.786 -17.523 1.00 -0.04 C HETATM 1158 H22 GLU A 183 17.533 -2.596 -17.843 1.00 0.05 H HETATM 1159 H24 GLU A 183 16.102 -4.217 -19.039 1.00 0.05 H HETATM 1160 H23 GLU A 183 13.822 -4.686 -18.283 1.00 0.05 H HETATM 1161 H21 GLU A 183 12.809 -3.434 -16.444 1.00 0.05 H HETATM 1162 H20 GLU A 183 17.451 -0.841 -15.651 1.00 0.22 H HETATM 1163 H19 GLU A 183 15.704 0.000 -13.965 1.00 0.08 H HETATM 1164 H17 GLU A 183 12.308 -1.585 -14.817 1.00 0.04 H HETATM 1165 H18 GLU A 183 13.143 -2.210 -13.354 1.00 0.04 H HETATM 1166 H16 GLU A 183 13.206 0.735 -14.044 1.00 0.08 H HETATM 1167 H15 GLU A 183 13.388 -0.695 -11.438 1.00 0.19 H HETATM 1168 CB GLU A 183 14.142 1.708 -9.626 1.00 -0.00 C HETATM 1169 CG GLU A 183 14.481 1.660 -8.120 1.00 0.00 C HETATM 1170 CD GLU A 183 13.489 2.285 -7.155 1.00 0.04 C HETATM 1171 OE1 GLU A 183 12.453 2.802 -7.554 1.00 -0.57 O HETATM 1172 OE2 GLU A 183 13.769 2.193 -5.951 1.00 -0.57 O HETATM 1173 H13 GLU A 183 15.443 2.176 -7.983 1.00 0.04 H HETATM 1174 H14 GLU A 183 14.589 0.602 -7.841 1.00 0.04 H HETATM 1175 H11 GLU A 183 13.105 1.368 -9.762 1.00 0.03 H HETATM 1176 H12 GLU A 183 14.235 2.748 -9.973 1.00 0.03 H HETATM 1177 H10 GLU A 183 14.956 -0.174 -10.069 1.00 0.08 H HETATM 1178 H9 GLU A 183 16.700 2.135 -10.753 1.00 0.19 H HETATM 1179 CB GLU A 183 19.752 0.100 -10.849 1.00 0.02 C HETATM 1180 CG GLU A 183 19.447 0.143 -12.370 1.00 0.01 C HETATM 1181 CD GLU A 183 20.139 -1.042 -13.030 1.00 0.04 C HETATM 1182 OE1 GLU A 183 21.138 -1.623 -12.347 1.00 -0.57 O HETATM 1183 OE2 GLU A 183 19.792 -1.290 -14.302 1.00 -0.57 O HETATM 1184 H7 GLU A 183 19.827 1.082 -12.799 1.00 0.04 H HETATM 1185 H8 GLU A 183 18.361 0.078 -12.534 1.00 0.04 H HETATM 1186 H5 GLU A 183 19.643 -0.937 -10.500 1.00 0.04 H HETATM 1187 H6 GLU A 183 20.788 0.433 -10.691 1.00 0.04 H HETATM 1188 H4 GLU A 183 18.784 1.985 -10.493 1.00 0.11 H HETATM 1189 H1 GLU A 183 20.238 1.520 -8.660 1.00 0.20 H HETATM 1190 H2 GLU A 183 19.318 0.235 -8.200 1.00 0.20 H HETATM 1191 H3 GLU A 183 18.694 1.757 -8.141 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1074 1075 1189 1190 1191 CONECT 1075 1074 1076 1179 1188 CONECT 1076 1075 1077 1078 CONECT 1077 1076 CONECT 1078 1076 1079 1178 CONECT 1079 1078 1080 1168 1177 CONECT 1080 1079 1081 1082 CONECT 1081 1080 CONECT 1082 1080 1083 1167 CONECT 1083 1082 1084 1148 1166 CONECT 1084 1083 1085 1086 CONECT 1085 1084 CONECT 1086 1084 1087 1147 CONECT 1087 1086 1088 1096 1146 CONECT 1088 1087 1089 1094 1095 CONECT 1089 1088 1090 CONECT 1090 1089 1091 1092 1093 CONECT 1091 1090 CONECT 1092 1090 CONECT 1093 1090 CONECT 1094 1088 CONECT 1095 1088 CONECT 1096 1087 1097 1098 CONECT 1097 1096 CONECT 1098 1096 1099 1145 CONECT 1099 1098 1100 1136 1144 CONECT 1100 1099 1101 1102 CONECT 1101 1100 CONECT 1102 1100 1103 1135 CONECT 1103 1102 1104 1124 1134 CONECT 1104 1103 1105 1106 CONECT 1105 1104 CONECT 1106 1104 1107 1123 CONECT 1107 1106 1108 1111 1122 CONECT 1108 1107 1109 1110 CONECT 1109 1108 CONECT 1110 1108 CONECT 1111 1107 1112 1120 1121 CONECT 1112 1111 1113 1118 1119 CONECT 1113 1112 1114 CONECT 1114 1113 1115 1116 1117 CONECT 1115 1114 CONECT 1116 1114 CONECT 1117 1114 CONECT 1118 1112 CONECT 1119 1112 CONECT 1120 1111 CONECT 1121 1111 CONECT 1122 1107 CONECT 1123 1106 CONECT 1124 1103 1125 1129 1133 CONECT 1125 1124 1126 1127 1128 CONECT 1126 1125 CONECT 1127 1125 CONECT 1128 1125 CONECT 1129 1124 1130 1131 1132 CONECT 1130 1129 CONECT 1131 1129 CONECT 1132 1129 CONECT 1133 1124 CONECT 1134 1103 CONECT 1135 1102 CONECT 1136 1099 1137 1139 1143 CONECT 1137 1136 1138 CONECT 1138 1137 CONECT 1139 1136 1140 1141 1142 CONECT 1140 1139 CONECT 1141 1139 CONECT 1142 1139 CONECT 1143 1136 CONECT 1144 1099 CONECT 1145 1098 CONECT 1146 1087 CONECT 1147 1086 CONECT 1148 1083 1149 1164 1165 CONECT 1149 1148 1150 1153 CONECT 1150 1149 1151 1163 CONECT 1151 1150 1152 1162 CONECT 1152 1151 1153 1157 CONECT 1153 1149 1152 1154 CONECT 1154 1153 1155 1161 CONECT 1155 1154 1156 1160 CONECT 1156 1155 1157 1159 CONECT 1157 1152 1156 1158 CONECT 1158 1157 CONECT 1159 1156 CONECT 1160 1155 CONECT 1161 1154 CONECT 1162 1151 CONECT 1163 1150 CONECT 1164 1148 CONECT 1165 1148 CONECT 1166 1083 CONECT 1167 1082 CONECT 1168 1079 1169 1175 1176 CONECT 1169 1168 1170 1173 1174 CONECT 1170 1169 1171 1172 CONECT 1171 1170 CONECT 1172 1170 CONECT 1173 1169 CONECT 1174 1169 CONECT 1175 1168 CONECT 1176 1168 CONECT 1177 1079 CONECT 1178 1078 CONECT 1179 1075 1180 1186 1187 CONECT 1180 1179 1181 1184 1185 CONECT 1181 1180 1182 1183 CONECT 1182 1181 CONECT 1183 1181 CONECT 1184 1180 CONECT 1185 1180 CONECT 1186 1179 CONECT 1187 1179 CONECT 1188 1075 CONECT 1189 1074 CONECT 1190 1074 CONECT 1191 1074 MASTER 0 0 0 0 0 0 0 0 1190 1 122 8 END
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Related entries of code: 5emb
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5elq
RCSB PDB
PDBbind
101aa, >5ELQ_1|Chains... *
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RCSB PDB
PDBbind
101aa, >5EM9_1|Chain... at 100%
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RCSB PDB
PDBbind
101aa, >5EMA_1|Chain... at 100%
6sak
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PDBbind
96aa, >6SAK_2|Chains... at 97%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fo0
RCSB PDB
PDBbind
8-mer
1fzj
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8-mer
1fzm
RCSB PDB
PDBbind
8-mer
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PDBbind
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8-mer
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RCSB PDB
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1nlp
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PDBbind
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1nzl
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PDBbind
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PDBbind
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1obx
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PDBbind
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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
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PDBbind
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1qr3
RCSB PDB
PDBbind
8-mer
1sle
RCSB PDB
PDBbind
8-mer
1tps
RCSB PDB
PDBbind
8-mer
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RCSB PDB
PDBbind
8-mer
2clv
RCSB PDB
PDBbind
8-mer
2er0
RCSB PDB
PDBbind
8-mer
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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
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PDBbind
8-mer
2w3o
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PDBbind
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2ynn
RCSB PDB
PDBbind
8-mer
2zpk
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PDBbind
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3agm
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PDBbind
8-mer
3av9
RCSB PDB
PDBbind
8-mer
3ava
RCSB PDB
PDBbind
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3avb
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PDBbind
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RCSB PDB
PDBbind
8-mer
3avg
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PDBbind
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3avh
RCSB PDB
PDBbind
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PDBbind
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3avj
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PDBbind
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3avk
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PDBbind
8-mer
3avl
RCSB PDB
PDBbind
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3avm
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3avn
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PDBbind
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PDBbind
8-mer
3ds9
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PDBbind
8-mer
3h85
RCSB PDB
PDBbind
8-mer
3i91
RCSB PDB
PDBbind
8-mer
3jvk
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8-mer
3kze
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PDBbind
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3muk
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PDBbind
8-mer
3n5e
RCSB PDB
PDBbind
8-mer
3nf3
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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
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3rwh
RCSB PDB
PDBbind
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3rwj
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PDBbind
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3unn
RCSB PDB
PDBbind
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3uqp
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8-mer
3uri
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PDBbind
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3zev
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PDBbind
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3zyr
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RCSB PDB
PDBbind
8-mer
4aph
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PDBbind
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PDBbind
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4eoy
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4fmo
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PDBbind
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4fn5
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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
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
6fx1
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
5emb
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
SNX27 PDZ domain
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
0.85(Å)
Affinity (Kd/Ki/IC50)
Kd=6.3uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Nat.Struct.Mol.Biol. Vol. 23: pp. 921-932
Ligand Properties
Formula
C
3
8
H
5
9
N
8
O
1
7
PS
Molecular Weight
962.957
Exact Mass
962.346
No. of atoms
124
No. of bonds
125
Polar Surface Area
458.97
LOGP Value
-1.38 (
Computed with XLOGP3
)
-1.15 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 16
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 2
Canonical SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)[NH3+])CCC(=O)O)COP(O)(O)O
InChI String
InChI=1S/C38H59N8O17PS/c1-18(2)30(36(56)42-25(38(58)59)13-14-65-4)45-37(57)31(19(3)47)46-35(55)27(17-63-64(60,61)62)44-34(54)26(15-20-16-40-23-8-6-5-7-21(20)23)43-33(53)24(10-12-29(50)51)41-32(52)22(39)9-11-28(48)49/h5-8,16,18-19,22,24-27,30-31,40,47,60-62,64H,9-15,17,39H2,1-4H3,(H,41,52)(H,42,56)(H,43,53)(H,44,54)(H,45,57)(H,46,55)(H,48,49)(H,50,51)(H,58,59)/p+1/t19-,22+,24+,25+,26+,27+,30+,31+/m1/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):
Q8K4V4
Q03431
Entrez Gene ID
NCBI Entrez Gene ID:
260323
5745
ASD
Information of known allosteric effects of PDB entries
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