Browse entries in the PDBbind-CN Database
HEADER 4MY6_COMPLEX COMPND 4MY6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 110 SER GLU GLN SER ILE CYS GLN ALA ARG ALA ALA VAL MET SEQRES 2 A 110 VAL TYR ASP ASP ALA ASN LYS LYS TRP VAL PRO ALA GLY SEQRES 3 A 110 GLY SER THR GLY PHE SER ARG VAL HIS ILE TYR HIS HIS SEQRES 4 A 110 THR GLY ASN ASN THR PHE ARG VAL VAL GLY ARG LYS ILE SEQRES 5 A 110 GLN ASP HIS GLN VAL VAL ILE ASN CYS ALA ILE PRO LYS SEQRES 6 A 110 GLY LEU LYS TYR ASN GLN ALA THR GLN THR PHE HIS GLN SEQRES 7 A 110 TRP ARG ASP ALA ARG GLN VAL TYR GLY LEU ASN PHE GLY SEQRES 8 A 110 SER LYS GLU ASP ALA ASN VAL PHE ALA SER ALA MET MET SEQRES 9 A 110 HIS ALA LEU GLU VAL LEU HET UNN A 199 87 ATOM 1 N SER A 2 46.576 -29.184 -9.701 1.00 47.44 N ATOM 2 CA SER A 2 46.125 -28.481 -8.474 1.00 47.28 C ATOM 3 C SER A 2 45.391 -27.159 -8.804 1.00 45.20 C ATOM 4 O SER A 2 45.088 -26.864 -9.977 1.00 43.69 O ATOM 5 CB SER A 2 47.321 -28.237 -7.553 1.00 49.35 C ATOM 6 OG SER A 2 46.931 -28.249 -6.188 1.00 52.92 O ATOM 7 HG SER A 2 47.724 -28.089 -5.618 1.00 0.00 H ATOM 8 HN3 SER A 2 47.229 -28.571 -10.230 1.00 0.00 H ATOM 9 HN2 SER A 2 45.751 -29.408 -10.294 1.00 0.00 H ATOM 10 HN1 SER A 2 47.063 -30.064 -9.436 1.00 0.00 H ATOM 11 N GLU A 3 45.088 -26.393 -7.761 1.00 41.95 N ATOM 12 CA GLU A 3 44.332 -25.154 -7.888 1.00 39.51 C ATOM 13 C GLU A 3 45.114 -23.948 -7.354 1.00 35.04 C ATOM 14 O GLU A 3 45.726 -24.014 -6.284 1.00 35.97 O ATOM 15 CB GLU A 3 42.978 -25.286 -7.188 1.00 40.60 C ATOM 16 CG GLU A 3 42.000 -24.196 -7.592 1.00 41.54 C ATOM 17 CD GLU A 3 40.588 -24.451 -7.124 1.00 44.13 C ATOM 18 OE1 GLU A 3 39.647 -24.108 -7.867 1.00 42.47 O ATOM 19 OE2 GLU A 3 40.409 -24.976 -6.006 1.00 45.80 O ATOM 20 H GLU A 3 45.403 -26.690 -6.816 1.00 0.00 H ATOM 21 N GLN A 4 45.059 -22.841 -8.098 1.00 29.72 N ATOM 22 CA GLN A 4 45.878 -21.672 -7.848 1.00 25.38 C ATOM 23 C GLN A 4 45.074 -20.364 -7.903 1.00 21.70 C ATOM 24 O GLN A 4 44.303 -20.163 -8.818 1.00 20.98 O ATOM 25 CB GLN A 4 46.981 -21.598 -8.889 1.00 29.06 C ATOM 26 CG GLN A 4 47.726 -20.288 -8.847 1.00 31.40 C ATOM 27 CD GLN A 4 49.107 -20.423 -9.397 1.00 38.23 C ATOM 28 OE1 GLN A 4 50.015 -20.901 -8.713 1.00 36.33 O ATOM 29 NE2 GLN A 4 49.284 -20.004 -10.645 1.00 34.94 N ATOM 30 HE22 GLN A 4 48.484 -19.608 -11.179 1.00 0.00 H ATOM 31 HE21 GLN A 4 50.222 -20.072 -11.088 1.00 0.00 H ATOM 32 H GLN A 4 44.395 -22.816 -8.898 1.00 0.00 H ATOM 33 N SER A 5 45.273 -19.498 -6.923 1.00 20.89 N ATOM 34 CA SER A 5 44.658 -18.165 -6.922 1.00 19.58 C ATOM 35 C SER A 5 45.381 -17.248 -7.902 1.00 18.63 C ATOM 36 O SER A 5 46.585 -17.019 -7.761 1.00 20.80 O ATOM 37 CB SER A 5 44.731 -17.544 -5.531 1.00 20.08 C ATOM 38 OG SER A 5 44.132 -16.260 -5.574 1.00 20.44 O ATOM 39 HG SER A 5 44.619 -15.692 -6.222 1.00 0.00 H ATOM 40 H SER A 5 45.885 -19.770 -6.127 1.00 0.00 H ATOM 41 N ILE A 6 44.665 -16.713 -8.880 1.00 16.18 N ATOM 42 CA ILE A 6 45.316 -15.927 -9.907 1.00 15.61 C ATOM 43 C ILE A 6 45.155 -14.451 -9.615 1.00 15.93 C ATOM 44 O ILE A 6 45.868 -13.642 -10.183 1.00 15.75 O ATOM 45 CB ILE A 6 44.798 -16.282 -11.328 1.00 15.64 C ATOM 46 CG1 ILE A 6 43.377 -15.783 -11.527 1.00 15.88 C ATOM 47 CG2 ILE A 6 44.879 -17.787 -11.543 1.00 16.07 C ATOM 48 CD1 ILE A 6 42.974 -15.724 -12.982 1.00 17.43 C ATOM 49 H ILE A 6 43.636 -16.858 -8.910 1.00 0.00 H ATOM 50 N CYS A 7 44.238 -14.105 -8.697 1.00 15.66 N ATOM 51 CA CYS A 7 44.023 -12.715 -8.328 1.00 15.91 C ATOM 52 C CYS A 7 43.143 -12.679 -7.111 1.00 14.94 C ATOM 53 O CYS A 7 42.381 -13.620 -6.852 1.00 13.44 O ATOM 54 CB CYS A 7 43.341 -11.895 -9.440 1.00 19.36 C ATOM 55 SG CYS A 7 41.556 -12.041 -9.425 1.00 31.50 S ATOM 56 H CYS A 7 43.670 -14.847 -8.240 1.00 0.00 H ATOM 57 N GLN A 8 43.282 -11.628 -6.333 1.00 14.55 N ATOM 58 CA GLN A 8 42.290 -11.410 -5.292 1.00 14.26 C ATOM 59 C GLN A 8 42.070 -9.939 -5.067 1.00 13.79 C ATOM 60 O GLN A 8 42.918 -9.062 -5.360 1.00 13.60 O ATOM 61 CB GLN A 8 42.697 -12.090 -3.984 1.00 17.35 C ATOM 62 CG GLN A 8 43.949 -11.467 -3.427 1.00 20.67 C ATOM 63 CD GLN A 8 44.414 -12.189 -2.204 1.00 25.43 C ATOM 64 OE1 GLN A 8 44.159 -11.753 -1.095 1.00 29.86 O ATOM 65 NE2 GLN A 8 45.075 -13.304 -2.400 1.00 27.82 N ATOM 66 HE22 GLN A 8 45.266 -13.632 -3.368 1.00 0.00 H ATOM 67 HE21 GLN A 8 45.408 -13.861 -1.587 1.00 0.00 H ATOM 68 H GLN A 8 44.079 -10.971 -6.459 1.00 0.00 H ATOM 69 N ALA A 9 40.912 -9.670 -4.523 1.00 12.81 N ATOM 70 CA ALA A 9 40.522 -8.322 -4.247 1.00 12.15 C ATOM 71 C ALA A 9 39.529 -8.296 -3.071 1.00 12.93 C ATOM 72 O ALA A 9 38.781 -9.247 -2.838 1.00 11.05 O ATOM 73 CB ALA A 9 39.906 -7.690 -5.488 1.00 13.07 C ATOM 74 H ALA A 9 40.264 -10.449 -4.287 1.00 0.00 H ATOM 75 N ARG A 10 39.455 -7.155 -2.400 1.00 12.82 N ATOM 76 CA ARG A 10 38.488 -7.035 -1.286 1.00 13.34 C ATOM 77 C ARG A 10 37.178 -6.501 -1.839 1.00 12.02 C ATOM 78 O ARG A 10 37.164 -5.508 -2.598 1.00 11.92 O ATOM 79 CB ARG A 10 39.018 -6.094 -0.189 1.00 17.10 C ATOM 80 CG ARG A 10 39.920 -6.765 0.856 1.00 21.32 C ATOM 81 CD ARG A 10 40.320 -5.781 1.984 1.00 24.34 C ATOM 82 NE ARG A 10 40.514 -4.463 1.379 1.00 26.30 N ATOM 83 CZ ARG A 10 39.570 -3.517 1.330 1.00 27.93 C ATOM 84 NH1 ARG A 10 38.404 -3.708 1.954 1.00 27.51 N ATOM 85 NH2 ARG A 10 39.802 -2.370 0.682 1.00 28.13 N ATOM 86 HE ARG A 10 41.442 -4.249 0.962 1.00 0.00 H ATOM 87 HH12 ARG A 10 37.668 -2.974 1.917 1.00 0.00 H ATOM 88 HH11 ARG A 10 38.232 -4.591 2.476 1.00 0.00 H ATOM 89 HH22 ARG A 10 39.067 -1.636 0.645 1.00 0.00 H ATOM 90 HH21 ARG A 10 40.718 -2.213 0.215 1.00 0.00 H ATOM 91 H ARG A 10 40.069 -6.354 -2.653 1.00 0.00 H ATOM 92 N ALA A 11 36.053 -7.093 -1.419 1.00 10.69 N ATOM 93 CA ALA A 11 34.761 -6.647 -1.907 1.00 9.53 C ATOM 94 C ALA A 11 33.717 -7.163 -0.935 1.00 9.15 C ATOM 95 O ALA A 11 33.891 -8.254 -0.334 1.00 8.85 O ATOM 96 CB ALA A 11 34.432 -7.227 -3.288 1.00 10.38 C ATOM 97 H ALA A 11 36.105 -7.878 -0.738 1.00 0.00 H ATOM 98 N ALA A 12 32.682 -6.351 -0.771 1.00 8.74 N ATOM 99 CA ALA A 12 31.395 -6.800 -0.132 1.00 9.19 C ATOM 100 C ALA A 12 30.583 -7.564 -1.175 1.00 9.36 C ATOM 101 O ALA A 12 30.233 -7.025 -2.225 1.00 9.41 O ATOM 102 CB ALA A 12 30.602 -5.603 0.406 1.00 9.95 C ATOM 103 H ALA A 12 32.762 -5.366 -1.096 1.00 0.00 H ATOM 104 N VAL A 13 30.338 -8.842 -0.902 1.00 9.51 N ATOM 105 CA VAL A 13 29.716 -9.702 -1.896 1.00 9.31 C ATOM 106 C VAL A 13 28.222 -9.677 -1.607 1.00 9.66 C ATOM 107 O VAL A 13 27.786 -9.853 -0.447 1.00 10.03 O ATOM 108 CB VAL A 13 30.253 -11.150 -1.806 1.00 10.37 C ATOM 109 CG1 VAL A 13 29.632 -12.033 -2.880 1.00 9.36 C ATOM 110 CG2 VAL A 13 31.781 -11.200 -1.869 1.00 9.98 C ATOM 111 H VAL A 13 30.593 -9.229 0.029 1.00 0.00 H ATOM 112 N MET A 14 27.450 -9.494 -2.668 1.00 9.32 N ATOM 113 CA MET A 14 26.008 -9.335 -2.586 1.00 9.80 C ATOM 114 C MET A 14 25.339 -10.263 -3.614 1.00 9.19 C ATOM 115 O MET A 14 25.952 -10.732 -4.603 1.00 8.70 O ATOM 116 CB MET A 14 25.622 -7.882 -2.885 1.00 11.62 C ATOM 117 CG MET A 14 26.422 -6.812 -2.141 1.00 14.46 C ATOM 118 SD MET A 14 25.524 -5.272 -2.352 1.00 22.67 S ATOM 119 CE MET A 14 24.313 -5.490 -1.015 1.00 19.05 C ATOM 120 H MET A 14 27.898 -9.463 -3.606 1.00 0.00 H ATOM 121 N VAL A 15 24.118 -10.630 -3.304 1.00 9.10 N ATOM 122 CA VAL A 15 23.276 -11.294 -4.283 1.00 9.44 C ATOM 123 C VAL A 15 21.972 -10.563 -4.455 1.00 9.68 C ATOM 124 O VAL A 15 21.501 -9.860 -3.564 1.00 9.94 O ATOM 125 CB VAL A 15 22.990 -12.777 -3.913 1.00 9.37 C ATOM 126 CG1 VAL A 15 24.267 -13.609 -4.009 1.00 11.04 C ATOM 127 CG2 VAL A 15 22.305 -12.922 -2.535 1.00 9.28 C ATOM 128 H VAL A 15 23.750 -10.444 -2.349 1.00 0.00 H ATOM 129 N TYR A 16 21.397 -10.697 -5.649 1.00 10.36 N ATOM 130 CA TYR A 16 20.181 -9.977 -5.922 1.00 10.99 C ATOM 131 C TYR A 16 18.937 -10.790 -5.514 1.00 12.75 C ATOM 132 O TYR A 16 18.779 -11.927 -5.889 1.00 13.57 O ATOM 133 CB TYR A 16 20.137 -9.582 -7.400 1.00 10.84 C ATOM 134 CG TYR A 16 19.049 -8.592 -7.715 1.00 10.06 C ATOM 135 CD1 TYR A 16 17.911 -8.978 -8.431 1.00 11.13 C ATOM 136 CD2 TYR A 16 19.164 -7.254 -7.337 1.00 10.52 C ATOM 137 CE1 TYR A 16 16.931 -8.061 -8.757 1.00 11.15 C ATOM 138 CE2 TYR A 16 18.201 -6.321 -7.677 1.00 11.73 C ATOM 139 CZ TYR A 16 17.066 -6.747 -8.368 1.00 11.84 C ATOM 140 OH TYR A 16 16.071 -5.862 -8.735 1.00 13.58 O ATOM 141 HH TYR A 16 16.451 -5.168 -9.330 1.00 0.00 H ATOM 142 H TYR A 16 21.820 -11.312 -6.373 1.00 0.00 H ATOM 143 N ASP A 17 18.099 -10.202 -4.685 1.00 14.14 N ATOM 144 CA ASP A 17 16.856 -10.870 -4.282 1.00 16.16 C ATOM 145 C ASP A 17 15.770 -10.563 -5.314 1.00 17.36 C ATOM 146 O ASP A 17 15.189 -9.498 -5.261 1.00 18.81 O ATOM 147 CB ASP A 17 16.508 -10.380 -2.877 1.00 16.63 C ATOM 148 CG ASP A 17 15.194 -10.937 -2.370 1.00 17.94 C ATOM 149 OD1 ASP A 17 14.638 -11.800 -3.053 1.00 18.66 O ATOM 150 OD2 ASP A 17 14.781 -10.510 -1.274 1.00 19.09 O ATOM 151 H ASP A 17 18.320 -9.256 -4.313 1.00 0.00 H ATOM 152 N ASP A 18 15.587 -11.492 -6.265 1.00 22.65 N ATOM 153 CA ASP A 18 14.744 -11.317 -7.477 1.00 25.49 C ATOM 154 C ASP A 18 13.338 -10.890 -7.006 1.00 28.45 C ATOM 155 O ASP A 18 12.736 -9.928 -7.509 1.00 29.47 O ATOM 156 CB ASP A 18 14.694 -12.662 -8.268 1.00 26.00 C ATOM 157 CG ASP A 18 15.849 -12.833 -9.319 1.00 25.12 C ATOM 158 OD1 ASP A 18 16.712 -13.763 -9.246 1.00 19.10 O ATOM 159 OD2 ASP A 18 15.864 -12.017 -10.261 1.00 33.24 O ATOM 160 H ASP A 18 16.072 -12.404 -6.145 1.00 0.00 H ATOM 161 N ALA A 19 12.841 -11.582 -5.984 1.00 26.54 N ATOM 162 CA ALA A 19 11.492 -11.328 -5.444 1.00 27.80 C ATOM 163 C ALA A 19 11.255 -9.917 -4.882 1.00 28.02 C ATOM 164 O ALA A 19 10.241 -9.319 -5.206 1.00 31.96 O ATOM 165 CB ALA A 19 11.120 -12.395 -4.417 1.00 23.81 C ATOM 166 H ALA A 19 13.423 -12.327 -5.551 1.00 0.00 H ATOM 167 N ASN A 20 12.182 -9.371 -4.080 1.00 29.94 N ATOM 168 CA ASN A 20 12.072 -7.994 -3.534 1.00 30.07 C ATOM 169 C ASN A 20 12.774 -6.841 -4.282 1.00 29.74 C ATOM 170 O ASN A 20 12.803 -5.686 -3.786 1.00 27.97 O ATOM 171 CB ASN A 20 12.598 -7.948 -2.087 1.00 34.01 C ATOM 172 CG ASN A 20 11.554 -8.334 -1.062 1.00 38.48 C ATOM 173 OD1 ASN A 20 10.388 -7.936 -1.150 1.00 35.53 O ATOM 174 ND2 ASN A 20 11.976 -9.099 -0.060 1.00 40.21 N ATOM 175 HD22 ASN A 20 12.967 -9.411 -0.026 1.00 0.00 H ATOM 176 HD21 ASN A 20 11.315 -9.385 0.690 1.00 0.00 H ATOM 177 H ASN A 20 13.017 -9.939 -3.829 1.00 0.00 H ATOM 178 N LYS A 21 13.401 -7.148 -5.421 1.00 27.67 N ATOM 179 CA LYS A 21 14.175 -6.125 -6.162 1.00 27.51 C ATOM 180 C LYS A 21 15.215 -5.381 -5.286 1.00 24.69 C ATOM 181 O LYS A 21 15.280 -4.168 -5.285 1.00 22.69 O ATOM 182 CB LYS A 21 13.231 -5.075 -6.782 1.00 30.87 C ATOM 183 CG LYS A 21 12.033 -5.656 -7.512 1.00 35.25 C ATOM 184 CD LYS A 21 12.436 -6.261 -8.840 1.00 37.71 C ATOM 185 CE LYS A 21 11.273 -6.189 -9.807 1.00 40.92 C ATOM 186 NZ LYS A 21 11.740 -6.518 -11.181 1.00 49.74 N ATOM 187 HZ1 LYS A 21 12.471 -5.837 -11.470 1.00 0.00 H ATOM 188 HZ2 LYS A 21 12.137 -7.479 -11.190 1.00 0.00 H ATOM 189 HZ3 LYS A 21 10.937 -6.467 -11.840 1.00 0.00 H ATOM 190 H LYS A 21 13.345 -8.118 -5.792 1.00 0.00 H ATOM 191 N LYS A 22 16.010 -6.108 -4.510 1.00 21.86 N ATOM 192 CA LYS A 22 17.092 -5.454 -3.813 1.00 21.00 C ATOM 193 C LYS A 22 18.256 -6.413 -3.638 1.00 16.36 C ATOM 194 O LYS A 22 18.125 -7.629 -3.697 1.00 14.60 O ATOM 195 CB LYS A 22 16.695 -4.888 -2.441 1.00 25.75 C ATOM 196 CG LYS A 22 16.189 -5.919 -1.466 1.00 27.12 C ATOM 197 CD LYS A 22 16.238 -5.408 -0.026 1.00 32.54 C ATOM 198 CE LYS A 22 15.480 -4.115 0.198 1.00 33.40 C ATOM 199 NZ LYS A 22 15.013 -4.027 1.620 1.00 35.64 N ATOM 200 HZ1 LYS A 22 14.386 -4.830 1.828 1.00 0.00 H ATOM 201 HZ2 LYS A 22 15.835 -4.054 2.256 1.00 0.00 H ATOM 202 HZ3 LYS A 22 14.495 -3.136 1.759 1.00 0.00 H ATOM 203 H LYS A 22 15.856 -7.131 -4.406 1.00 0.00 H ATOM 204 N TRP A 23 19.390 -5.810 -3.369 1.00 13.99 N ATOM 205 CA TRP A 23 20.604 -6.576 -3.159 1.00 12.55 C ATOM 206 C TRP A 23 20.731 -6.874 -1.696 1.00 12.96 C ATOM 207 O TRP A 23 20.478 -5.993 -0.852 1.00 14.81 O ATOM 208 CB TRP A 23 21.806 -5.743 -3.582 1.00 11.49 C ATOM 209 CG TRP A 23 21.878 -5.579 -5.046 1.00 10.64 C ATOM 210 CD1 TRP A 23 21.298 -4.582 -5.793 1.00 11.38 C ATOM 211 CD2 TRP A 23 22.523 -6.451 -5.962 1.00 10.04 C ATOM 212 NE1 TRP A 23 21.588 -4.764 -7.121 1.00 10.89 N ATOM 213 CE2 TRP A 23 22.328 -5.909 -7.257 1.00 10.39 C ATOM 214 CE3 TRP A 23 23.250 -7.638 -5.825 1.00 9.64 C ATOM 215 CZ2 TRP A 23 22.862 -6.513 -8.404 1.00 10.75 C ATOM 216 CZ3 TRP A 23 23.776 -8.245 -6.989 1.00 10.50 C ATOM 217 CH2 TRP A 23 23.556 -7.670 -8.246 1.00 9.84 C ATOM 218 HE1 TRP A 23 21.295 -4.136 -7.897 1.00 0.00 H ATOM 219 H TRP A 23 19.419 -4.772 -3.306 1.00 0.00 H ATOM 220 N VAL A 24 21.138 -8.101 -1.387 1.00 11.07 N ATOM 221 CA VAL A 24 21.351 -8.487 0.010 1.00 11.38 C ATOM 222 C VAL A 24 22.751 -9.048 0.170 1.00 10.08 C ATOM 223 O VAL A 24 23.343 -9.527 -0.809 1.00 9.24 O ATOM 224 CB VAL A 24 20.292 -9.487 0.455 1.00 12.60 C ATOM 225 CG1 VAL A 24 18.888 -8.842 0.334 1.00 12.50 C ATOM 226 CG2 VAL A 24 20.390 -10.745 -0.394 1.00 12.13 C ATOM 227 H VAL A 24 21.307 -8.794 -2.144 1.00 0.00 H ATOM 228 N PRO A 25 23.303 -9.022 1.412 1.00 10.24 N ATOM 229 CA PRO A 25 24.680 -9.514 1.584 1.00 9.93 C ATOM 230 C PRO A 25 24.738 -11.048 1.445 1.00 10.70 C ATOM 231 O PRO A 25 23.917 -11.760 2.054 1.00 10.92 O ATOM 232 CB PRO A 25 25.010 -9.093 3.040 1.00 9.44 C ATOM 233 CG PRO A 25 23.639 -9.019 3.735 1.00 9.75 C ATOM 234 CD PRO A 25 22.787 -8.398 2.652 1.00 10.08 C ATOM 235 N ALA A 26 25.662 -11.548 0.617 1.00 9.73 N ATOM 236 CA ALA A 26 25.956 -12.959 0.477 1.00 10.36 C ATOM 237 C ALA A 26 26.324 -13.592 1.804 1.00 10.95 C ATOM 238 O ALA A 26 27.193 -13.078 2.524 1.00 11.92 O ATOM 239 CB ALA A 26 27.076 -13.163 -0.535 1.00 10.05 C ATOM 240 H ALA A 26 26.205 -10.879 0.035 1.00 0.00 H ATOM 241 N GLY A 27 25.627 -14.669 2.164 1.00 10.08 N ATOM 242 CA GLY A 27 25.957 -15.354 3.397 1.00 11.62 C ATOM 243 C GLY A 27 25.269 -14.780 4.600 1.00 11.06 C ATOM 244 O GLY A 27 25.425 -15.314 5.693 1.00 11.89 O ATOM 245 H GLY A 27 24.851 -15.015 1.564 1.00 0.00 H ATOM 246 N GLY A 28 24.550 -13.666 4.439 1.00 11.12 N ATOM 247 CA GLY A 28 23.646 -13.156 5.482 1.00 10.31 C ATOM 248 C GLY A 28 24.052 -11.882 6.198 1.00 10.23 C ATOM 249 O GLY A 28 23.214 -11.231 6.806 1.00 9.93 O ATOM 250 H GLY A 28 24.632 -13.141 3.545 1.00 0.00 H ATOM 251 N SER A 29 25.325 -11.507 6.136 1.00 9.72 N ATOM 252 CA SER A 29 25.708 -10.286 6.874 1.00 10.42 C ATOM 253 C SER A 29 26.674 -9.443 6.086 1.00 9.56 C ATOM 254 O SER A 29 27.516 -9.949 5.387 1.00 10.07 O ATOM 255 CB SER A 29 26.267 -10.615 8.282 1.00 10.69 C ATOM 256 OG SER A 29 27.486 -11.349 8.208 1.00 10.81 O ATOM 257 HG SER A 29 27.328 -12.201 7.728 1.00 0.00 H ATOM 258 H SER A 29 26.023 -12.051 5.590 1.00 0.00 H ATOM 259 N THR A 30 26.527 -8.121 6.195 1.00 10.04 N ATOM 260 CA THR A 30 27.325 -7.191 5.376 1.00 10.16 C ATOM 261 C THR A 30 28.762 -7.048 5.869 1.00 9.77 C ATOM 262 O THR A 30 29.006 -6.881 7.076 1.00 10.59 O ATOM 263 CB THR A 30 26.659 -5.823 5.395 1.00 10.23 C ATOM 264 OG1 THR A 30 25.331 -5.957 4.851 1.00 9.62 O ATOM 265 CG2 THR A 30 27.502 -4.712 4.617 1.00 11.35 C ATOM 266 HG1 THR A 30 25.389 -6.294 3.922 1.00 0.00 H ATOM 267 H THR A 30 25.835 -7.739 6.871 1.00 0.00 H ATOM 268 N GLY A 31 29.707 -7.145 4.936 1.00 9.87 N ATOM 269 CA GLY A 31 31.117 -6.864 5.314 1.00 10.22 C ATOM 270 C GLY A 31 32.017 -7.255 4.181 1.00 9.93 C ATOM 271 O GLY A 31 31.578 -7.904 3.226 1.00 11.50 O ATOM 272 H GLY A 31 29.463 -7.412 3.961 1.00 0.00 H ATOM 273 N PHE A 32 33.286 -6.883 4.294 1.00 10.28 N ATOM 274 CA PHE A 32 34.212 -7.192 3.230 1.00 10.44 C ATOM 275 C PHE A 32 34.706 -8.635 3.259 1.00 10.23 C ATOM 276 O PHE A 32 34.989 -9.248 4.338 1.00 10.71 O ATOM 277 CB PHE A 32 35.370 -6.204 3.274 1.00 10.63 C ATOM 278 CG PHE A 32 35.027 -4.854 2.732 1.00 11.99 C ATOM 279 CD1 PHE A 32 34.848 -3.777 3.594 1.00 13.03 C ATOM 280 CD2 PHE A 32 34.831 -4.645 1.352 1.00 12.72 C ATOM 281 CE1 PHE A 32 34.526 -2.525 3.121 1.00 14.49 C ATOM 282 CE2 PHE A 32 34.471 -3.388 0.877 1.00 14.55 C ATOM 283 CZ PHE A 32 34.328 -2.321 1.742 1.00 15.72 C ATOM 284 H PHE A 32 33.610 -6.374 5.141 1.00 0.00 H ATOM 285 N SER A 33 34.859 -9.181 2.059 1.00 10.86 N ATOM 286 CA SER A 33 35.455 -10.491 1.881 1.00 10.70 C ATOM 287 C SER A 33 36.695 -10.361 0.988 1.00 10.54 C ATOM 288 O SER A 33 36.871 -9.377 0.260 1.00 11.21 O ATOM 289 CB SER A 33 34.446 -11.409 1.141 1.00 11.11 C ATOM 290 OG SER A 33 33.356 -11.709 1.991 1.00 10.89 O ATOM 291 HG SER A 33 32.903 -10.869 2.253 1.00 0.00 H ATOM 292 H SER A 33 34.542 -8.653 1.221 1.00 0.00 H ATOM 293 N ARG A 34 37.546 -11.369 1.075 1.00 10.88 N ATOM 294 CA ARG A 34 38.668 -11.505 0.151 1.00 11.91 C ATOM 295 C ARG A 34 38.153 -12.408 -0.950 1.00 11.26 C ATOM 296 O ARG A 34 37.818 -13.579 -0.697 1.00 11.37 O ATOM 297 CB ARG A 34 39.850 -12.163 0.856 1.00 13.87 C ATOM 298 CG ARG A 34 40.553 -11.172 1.736 1.00 18.37 C ATOM 299 CD ARG A 34 42.005 -11.499 2.013 1.00 21.95 C ATOM 300 NE ARG A 34 42.464 -10.749 3.189 1.00 25.18 N ATOM 301 CZ ARG A 34 42.792 -9.464 3.137 1.00 28.66 C ATOM 302 NH1 ARG A 34 43.195 -8.817 4.230 1.00 31.60 N ATOM 303 NH2 ARG A 34 42.714 -8.819 1.980 1.00 31.20 N ATOM 304 HE ARG A 34 42.535 -11.245 4.100 1.00 0.00 H ATOM 305 HH12 ARG A 34 43.449 -7.810 4.174 1.00 0.00 H ATOM 306 HH11 ARG A 34 43.256 -9.319 5.139 1.00 0.00 H ATOM 307 HH22 ARG A 34 42.969 -7.812 1.928 1.00 0.00 H ATOM 308 HH21 ARG A 34 42.398 -9.320 1.125 1.00 0.00 H ATOM 309 H ARG A 34 37.413 -12.082 1.820 1.00 0.00 H ATOM 310 N VAL A 35 38.070 -11.844 -2.155 1.00 10.77 N ATOM 311 CA VAL A 35 37.490 -12.564 -3.290 1.00 10.52 C ATOM 312 C VAL A 35 38.609 -12.922 -4.263 1.00 10.21 C ATOM 313 O VAL A 35 39.302 -12.031 -4.751 1.00 9.90 O ATOM 314 CB VAL A 35 36.432 -11.689 -3.999 1.00 10.44 C ATOM 315 CG1 VAL A 35 35.691 -12.458 -5.115 1.00 10.50 C ATOM 316 CG2 VAL A 35 35.448 -11.146 -2.957 1.00 10.36 C ATOM 317 H VAL A 35 38.424 -10.875 -2.291 1.00 0.00 H ATOM 318 N HIS A 36 38.742 -14.222 -4.530 1.00 10.31 N ATOM 319 CA HIS A 36 39.782 -14.785 -5.400 1.00 11.37 C ATOM 320 C HIS A 36 39.150 -15.302 -6.681 1.00 11.41 C ATOM 321 O HIS A 36 38.023 -15.733 -6.673 1.00 10.73 O ATOM 322 CB HIS A 36 40.416 -15.993 -4.777 1.00 12.19 C ATOM 323 CG HIS A 36 41.199 -15.719 -3.535 1.00 14.51 C ATOM 324 ND1 HIS A 36 40.600 -15.464 -2.316 1.00 15.88 N ATOM 325 CD2 HIS A 36 42.529 -15.773 -3.307 1.00 15.21 C ATOM 326 CE1 HIS A 36 41.542 -15.295 -1.403 1.00 16.15 C ATOM 327 NE2 HIS A 36 42.721 -15.480 -1.978 1.00 16.62 N ATOM 328 H HIS A 36 38.065 -14.880 -4.093 1.00 0.00 H ATOM 329 N ILE A 37 39.899 -15.273 -7.786 1.00 12.31 N ATOM 330 CA ILE A 37 39.609 -16.124 -8.937 1.00 11.28 C ATOM 331 C ILE A 37 40.671 -17.228 -8.849 1.00 11.42 C ATOM 332 O ILE A 37 41.887 -16.921 -8.743 1.00 10.69 O ATOM 333 CB ILE A 37 39.749 -15.352 -10.281 1.00 11.95 C ATOM 334 CG1 ILE A 37 38.701 -14.217 -10.406 1.00 12.69 C ATOM 335 CG2 ILE A 37 39.613 -16.317 -11.457 1.00 12.64 C ATOM 336 CD1 ILE A 37 38.907 -13.264 -11.595 1.00 14.26 C ATOM 337 H ILE A 37 40.712 -14.626 -7.828 1.00 0.00 H ATOM 338 N TYR A 38 40.219 -18.495 -8.809 1.00 11.15 N ATOM 339 CA TYR A 38 41.107 -19.670 -8.771 1.00 12.72 C ATOM 340 C TYR A 38 41.068 -20.364 -10.109 1.00 13.88 C ATOM 341 O TYR A 38 40.013 -20.404 -10.743 1.00 14.66 O ATOM 342 CB TYR A 38 40.638 -20.675 -7.696 1.00 13.56 C ATOM 343 CG TYR A 38 40.953 -20.278 -6.293 1.00 14.36 C ATOM 344 CD1 TYR A 38 39.990 -19.696 -5.494 1.00 15.91 C ATOM 345 CD2 TYR A 38 42.236 -20.523 -5.736 1.00 16.37 C ATOM 346 CE1 TYR A 38 40.286 -19.335 -4.174 1.00 17.75 C ATOM 347 CE2 TYR A 38 42.527 -20.158 -4.431 1.00 18.47 C ATOM 348 CZ TYR A 38 41.549 -19.556 -3.666 1.00 19.64 C ATOM 349 OH TYR A 38 41.850 -19.159 -2.370 1.00 24.23 O ATOM 350 HH TYR A 38 41.049 -18.748 -1.958 1.00 0.00 H ATOM 351 H TYR A 38 39.191 -18.653 -8.805 1.00 0.00 H ATOM 352 N HIS A 39 42.217 -20.867 -10.568 1.00 14.63 N ATOM 353 CA HIS A 39 42.299 -21.685 -11.771 1.00 16.25 C ATOM 354 C HIS A 39 42.640 -23.126 -11.354 1.00 16.66 C ATOM 355 O HIS A 39 43.530 -23.318 -10.555 1.00 17.35 O ATOM 356 CB HIS A 39 43.414 -21.148 -12.662 1.00 15.42 C ATOM 357 CG HIS A 39 43.616 -21.933 -13.928 1.00 16.13 C ATOM 358 ND1 HIS A 39 44.795 -22.601 -14.202 1.00 17.27 N ATOM 359 CD2 HIS A 39 42.806 -22.147 -14.986 1.00 17.07 C ATOM 360 CE1 HIS A 39 44.698 -23.189 -15.383 1.00 17.09 C ATOM 361 NE2 HIS A 39 43.503 -22.929 -15.881 1.00 17.91 N ATOM 362 H HIS A 39 43.092 -20.666 -10.043 1.00 0.00 H ATOM 363 N HIS A 40 41.947 -24.105 -11.920 1.00 19.16 N ATOM 364 CA HIS A 40 42.308 -25.501 -11.715 1.00 21.89 C ATOM 365 C HIS A 40 42.901 -26.069 -12.998 1.00 21.43 C ATOM 366 O HIS A 40 42.250 -26.057 -14.040 1.00 21.10 O ATOM 367 CB HIS A 40 41.091 -26.318 -11.291 1.00 26.50 C ATOM 368 CG HIS A 40 41.430 -27.729 -10.928 1.00 34.91 C ATOM 369 ND1 HIS A 40 41.218 -28.791 -11.785 1.00 38.96 N ATOM 370 CD2 HIS A 40 42.015 -28.247 -9.820 1.00 37.41 C ATOM 371 CE1 HIS A 40 41.626 -29.906 -11.206 1.00 39.62 C ATOM 372 NE2 HIS A 40 42.120 -29.602 -10.016 1.00 38.11 N ATOM 373 H HIS A 40 41.131 -23.872 -12.521 1.00 0.00 H ATOM 374 N THR A 41 44.136 -26.554 -12.926 1.00 24.46 N ATOM 375 CA THR A 41 44.786 -27.134 -14.122 1.00 27.61 C ATOM 376 C THR A 41 44.253 -28.547 -14.456 1.00 29.16 C ATOM 377 O THR A 41 43.723 -29.241 -13.595 1.00 27.57 O ATOM 378 CB THR A 41 46.318 -27.147 -14.003 1.00 29.40 C ATOM 379 OG1 THR A 41 46.722 -28.168 -13.089 1.00 31.27 O ATOM 380 CG2 THR A 41 46.836 -25.818 -13.492 1.00 26.81 C ATOM 381 HG1 THR A 41 47.709 -28.172 -13.016 1.00 0.00 H ATOM 382 H THR A 41 44.650 -26.526 -12.022 1.00 0.00 H ATOM 383 N GLY A 42 44.395 -28.953 -15.714 1.00 31.28 N ATOM 384 CA GLY A 42 43.880 -30.244 -16.193 1.00 28.33 C ATOM 385 C GLY A 42 42.655 -29.991 -17.032 1.00 32.85 C ATOM 386 O GLY A 42 42.710 -30.068 -18.268 1.00 35.32 O ATOM 387 H GLY A 42 44.890 -28.333 -16.386 1.00 0.00 H ATOM 388 N ASN A 43 41.550 -29.650 -16.366 1.00 31.24 N ATOM 389 CA ASN A 43 40.313 -29.356 -17.070 1.00 32.13 C ATOM 390 C ASN A 43 40.124 -27.862 -17.343 1.00 27.77 C ATOM 391 O ASN A 43 39.070 -27.468 -17.838 1.00 26.72 O ATOM 392 CB ASN A 43 39.102 -29.928 -16.337 1.00 36.41 C ATOM 393 CG ASN A 43 38.963 -29.402 -14.911 1.00 44.49 C ATOM 394 OD1 ASN A 43 39.794 -28.612 -14.422 1.00 46.04 O ATOM 395 ND2 ASN A 43 37.901 -29.847 -14.228 1.00 47.13 N ATOM 396 HD22 ASN A 43 37.233 -30.506 -14.677 1.00 0.00 H ATOM 397 HD21 ASN A 43 37.744 -29.534 -13.249 1.00 0.00 H ATOM 398 H ASN A 43 41.574 -29.594 -15.328 1.00 0.00 H ATOM 399 N ASN A 44 41.146 -27.068 -17.020 1.00 23.82 N ATOM 400 CA ASN A 44 41.180 -25.636 -17.344 1.00 23.42 C ATOM 401 C ASN A 44 39.922 -24.887 -16.903 1.00 20.62 C ATOM 402 O ASN A 44 39.228 -24.298 -17.719 1.00 22.37 O ATOM 403 CB ASN A 44 41.418 -25.423 -18.851 1.00 22.25 C ATOM 404 CG ASN A 44 41.714 -23.968 -19.189 1.00 22.68 C ATOM 405 OD1 ASN A 44 42.360 -23.262 -18.416 1.00 21.86 O ATOM 406 ND2 ASN A 44 41.256 -23.527 -20.357 1.00 19.64 N ATOM 407 HD22 ASN A 44 40.714 -24.163 -20.977 1.00 0.00 H ATOM 408 HD21 ASN A 44 41.440 -22.546 -20.651 1.00 0.00 H ATOM 409 H ASN A 44 41.956 -27.482 -16.516 1.00 0.00 H ATOM 410 N THR A 45 39.622 -24.918 -15.608 1.00 18.44 N ATOM 411 CA THR A 45 38.430 -24.255 -15.101 1.00 15.76 C ATOM 412 C THR A 45 38.835 -23.092 -14.169 1.00 14.70 C ATOM 413 O THR A 45 39.940 -23.068 -13.593 1.00 14.68 O ATOM 414 CB THR A 45 37.600 -25.221 -14.266 1.00 17.11 C ATOM 415 OG1 THR A 45 38.451 -25.769 -13.265 1.00 17.82 O ATOM 416 CG2 THR A 45 37.033 -26.344 -15.139 1.00 19.25 C ATOM 417 HG1 THR A 45 38.804 -25.039 -12.698 1.00 0.00 H ATOM 418 H THR A 45 40.248 -25.423 -14.948 1.00 0.00 H ATOM 419 N PHE A 46 37.938 -22.121 -14.036 1.00 14.55 N ATOM 420 CA PHE A 46 38.144 -21.015 -13.124 1.00 12.80 C ATOM 421 C PHE A 46 36.940 -20.934 -12.216 1.00 12.74 C ATOM 422 O PHE A 46 35.812 -21.273 -12.614 1.00 12.26 O ATOM 423 CB PHE A 46 38.256 -19.667 -13.879 1.00 13.48 C ATOM 424 CG PHE A 46 39.500 -19.517 -14.701 1.00 13.16 C ATOM 425 CD1 PHE A 46 39.534 -19.996 -16.016 1.00 13.93 C ATOM 426 CD2 PHE A 46 40.630 -18.874 -14.192 1.00 13.79 C ATOM 427 CE1 PHE A 46 40.693 -19.849 -16.773 1.00 13.02 C ATOM 428 CE2 PHE A 46 41.765 -18.724 -14.956 1.00 14.06 C ATOM 429 CZ PHE A 46 41.793 -19.199 -16.258 1.00 14.78 C ATOM 430 H PHE A 46 37.066 -22.156 -14.601 1.00 0.00 H ATOM 431 N ARG A 47 37.146 -20.470 -10.997 1.00 12.76 N ATOM 432 CA ARG A 47 35.996 -20.174 -10.135 1.00 13.51 C ATOM 433 C ARG A 47 36.265 -18.954 -9.256 1.00 12.35 C ATOM 434 O ARG A 47 37.413 -18.602 -8.998 1.00 12.09 O ATOM 435 CB ARG A 47 35.585 -21.404 -9.310 1.00 17.39 C ATOM 436 CG ARG A 47 36.519 -21.762 -8.180 1.00 21.84 C ATOM 437 CD ARG A 47 35.952 -22.939 -7.360 1.00 27.09 C ATOM 438 NE ARG A 47 37.022 -23.623 -6.628 1.00 31.59 N ATOM 439 CZ ARG A 47 36.910 -24.084 -5.380 1.00 33.40 C ATOM 440 NH1 ARG A 47 35.776 -23.917 -4.713 1.00 32.07 N ATOM 441 NH2 ARG A 47 37.942 -24.702 -4.795 1.00 33.69 N ATOM 442 HE ARG A 47 37.931 -23.759 -7.114 1.00 0.00 H ATOM 443 HH12 ARG A 47 35.687 -24.275 -3.741 1.00 0.00 H ATOM 444 HH11 ARG A 47 34.976 -23.428 -5.162 1.00 0.00 H ATOM 445 HH22 ARG A 47 37.851 -25.060 -3.823 1.00 0.00 H ATOM 446 HH21 ARG A 47 38.836 -24.825 -5.312 1.00 0.00 H ATOM 447 H ARG A 47 38.115 -20.316 -10.651 1.00 0.00 H ATOM 448 N VAL A 48 35.206 -18.295 -8.855 1.00 12.09 N ATOM 449 CA VAL A 48 35.281 -17.176 -7.913 1.00 11.32 C ATOM 450 C VAL A 48 34.976 -17.718 -6.523 1.00 11.31 C ATOM 451 O VAL A 48 33.972 -18.397 -6.325 1.00 11.31 O ATOM 452 CB VAL A 48 34.248 -16.091 -8.275 1.00 11.12 C ATOM 453 CG1 VAL A 48 34.246 -14.981 -7.192 1.00 10.35 C ATOM 454 CG2 VAL A 48 34.571 -15.551 -9.688 1.00 11.97 C ATOM 455 H VAL A 48 34.274 -18.578 -9.220 1.00 0.00 H ATOM 456 N VAL A 49 35.875 -17.470 -5.581 1.00 10.98 N ATOM 457 CA VAL A 49 35.695 -17.918 -4.202 1.00 11.68 C ATOM 458 C VAL A 49 35.976 -16.732 -3.296 1.00 11.70 C ATOM 459 O VAL A 49 37.063 -16.158 -3.333 1.00 11.77 O ATOM 460 CB VAL A 49 36.584 -19.129 -3.831 1.00 13.46 C ATOM 461 CG1 VAL A 49 36.487 -19.402 -2.329 1.00 15.08 C ATOM 462 CG2 VAL A 49 36.123 -20.360 -4.606 1.00 13.19 C ATOM 463 H VAL A 49 36.734 -16.941 -5.831 1.00 0.00 H ATOM 464 N GLY A 50 34.991 -16.385 -2.461 1.00 11.35 N ATOM 465 CA GLY A 50 35.149 -15.297 -1.514 1.00 10.98 C ATOM 466 C GLY A 50 34.908 -15.723 -0.066 1.00 11.84 C ATOM 467 O GLY A 50 33.987 -16.461 0.210 1.00 12.35 O ATOM 468 H GLY A 50 34.092 -16.906 -2.491 1.00 0.00 H ATOM 469 N ARG A 51 35.739 -15.215 0.831 1.00 12.70 N ATOM 470 CA ARG A 51 35.646 -15.555 2.264 1.00 13.52 C ATOM 471 C ARG A 51 35.619 -14.254 3.019 1.00 12.50 C ATOM 472 O ARG A 51 36.463 -13.367 2.787 1.00 12.45 O ATOM 473 CB ARG A 51 36.873 -16.377 2.721 1.00 16.27 C ATOM 474 CG ARG A 51 36.810 -17.825 2.234 1.00 20.19 C ATOM 475 CD ARG A 51 37.876 -18.688 2.902 1.00 25.53 C ATOM 476 NE ARG A 51 37.733 -20.098 2.558 1.00 30.74 N ATOM 477 CZ ARG A 51 37.278 -21.067 3.363 1.00 31.34 C ATOM 478 NH1 ARG A 51 36.889 -20.808 4.619 1.00 32.59 N ATOM 479 NH2 ARG A 51 37.187 -22.319 2.892 1.00 31.64 N ATOM 480 HE ARG A 51 38.011 -20.378 1.596 1.00 0.00 H ATOM 481 HH12 ARG A 51 36.539 -21.578 5.224 1.00 0.00 H ATOM 482 HH11 ARG A 51 36.937 -19.837 4.988 1.00 0.00 H ATOM 483 HH22 ARG A 51 36.835 -23.081 3.506 1.00 0.00 H ATOM 484 HH21 ARG A 51 37.468 -22.528 1.913 1.00 0.00 H ATOM 485 H ARG A 51 36.480 -14.556 0.516 1.00 0.00 H ATOM 486 N LYS A 52 34.682 -14.164 3.957 1.00 12.45 N ATOM 487 CA LYS A 52 34.559 -12.997 4.778 1.00 14.59 C ATOM 488 C LYS A 52 35.856 -12.792 5.581 1.00 15.45 C ATOM 489 O LYS A 52 36.435 -13.737 6.146 1.00 15.33 O ATOM 490 CB LYS A 52 33.347 -13.149 5.715 1.00 15.21 C ATOM 491 CG LYS A 52 33.014 -11.903 6.505 1.00 16.41 C ATOM 492 CD LYS A 52 32.280 -10.806 5.694 1.00 16.88 C ATOM 493 CE LYS A 52 30.843 -11.158 5.298 1.00 15.23 C ATOM 494 NZ LYS A 52 29.993 -11.372 6.503 1.00 15.21 N ATOM 495 HZ1 LYS A 52 30.384 -12.153 7.068 1.00 0.00 H ATOM 496 HZ2 LYS A 52 29.978 -10.503 7.074 1.00 0.00 H ATOM 497 HZ3 LYS A 52 29.025 -11.609 6.205 1.00 0.00 H ATOM 498 H LYS A 52 34.024 -14.957 4.098 1.00 0.00 H ATOM 499 N ILE A 53 36.299 -11.554 5.664 1.00 14.48 N ATOM 500 CA ILE A 53 37.603 -11.263 6.291 1.00 16.20 C ATOM 501 C ILE A 53 37.509 -11.530 7.800 1.00 17.89 C ATOM 502 O ILE A 53 38.453 -12.073 8.417 1.00 19.90 O ATOM 503 CB ILE A 53 38.013 -9.827 5.977 1.00 16.01 C ATOM 504 CG1 ILE A 53 38.601 -9.772 4.553 1.00 15.50 C ATOM 505 CG2 ILE A 53 39.054 -9.284 6.978 1.00 18.08 C ATOM 506 CD1 ILE A 53 38.773 -8.355 4.068 1.00 14.46 C ATOM 507 H ILE A 53 35.725 -10.775 5.284 1.00 0.00 H ATOM 508 N GLN A 54 36.355 -11.217 8.379 1.00 17.76 N ATOM 509 CA GLN A 54 36.192 -11.386 9.840 1.00 22.29 C ATOM 510 C GLN A 54 36.148 -12.847 10.344 1.00 21.28 C ATOM 511 O GLN A 54 36.669 -13.146 11.426 1.00 25.70 O ATOM 512 CB GLN A 54 34.944 -10.614 10.265 1.00 27.33 C ATOM 513 CG GLN A 54 34.622 -10.518 11.751 1.00 34.91 C ATOM 514 CD GLN A 54 33.175 -10.056 11.983 1.00 40.88 C ATOM 515 OE1 GLN A 54 32.908 -9.229 12.862 1.00 46.21 O ATOM 516 NE2 GLN A 54 32.233 -10.591 11.183 1.00 40.15 N ATOM 517 HE22 GLN A 54 32.501 -11.284 10.455 1.00 0.00 H ATOM 518 HE21 GLN A 54 31.237 -10.311 11.293 1.00 0.00 H ATOM 519 H GLN A 54 35.567 -10.854 7.806 1.00 0.00 H ATOM 520 N ASP A 55 35.526 -13.760 9.606 1.00 19.87 N ATOM 521 CA ASP A 55 35.267 -15.110 10.108 1.00 19.30 C ATOM 522 C ASP A 55 35.412 -16.214 9.098 1.00 19.66 C ATOM 523 O ASP A 55 35.063 -17.346 9.368 1.00 20.41 O ATOM 524 CB ASP A 55 33.877 -15.198 10.774 1.00 20.63 C ATOM 525 CG ASP A 55 32.743 -14.867 9.819 1.00 21.59 C ATOM 526 OD1 ASP A 55 32.977 -14.821 8.596 1.00 17.64 O ATOM 527 OD2 ASP A 55 31.610 -14.693 10.307 1.00 22.91 O ATOM 528 H ASP A 55 35.215 -13.509 8.646 1.00 0.00 H ATOM 529 N HIS A 56 35.936 -15.887 7.913 1.00 19.69 N ATOM 530 CA HIS A 56 36.268 -16.875 6.897 1.00 19.87 C ATOM 531 C HIS A 56 35.081 -17.563 6.291 1.00 18.74 C ATOM 532 O HIS A 56 35.247 -18.557 5.593 1.00 21.19 O ATOM 533 CB HIS A 56 37.326 -17.884 7.386 1.00 23.24 C ATOM 534 CG HIS A 56 38.631 -17.236 7.724 1.00 25.55 C ATOM 535 ND1 HIS A 56 39.099 -17.121 9.011 1.00 26.76 N ATOM 536 CD2 HIS A 56 39.545 -16.611 6.939 1.00 29.75 C ATOM 537 CE1 HIS A 56 40.248 -16.474 9.012 1.00 27.36 C ATOM 538 NE2 HIS A 56 40.546 -16.156 7.766 1.00 29.90 N ATOM 539 H HIS A 56 36.114 -14.883 7.708 1.00 0.00 H ATOM 540 N GLN A 57 33.875 -17.050 6.556 1.00 17.37 N ATOM 541 CA GLN A 57 32.688 -17.641 5.982 1.00 14.98 C ATOM 542 C GLN A 57 32.839 -17.574 4.470 1.00 14.86 C ATOM 543 O GLN A 57 33.123 -16.508 3.943 1.00 13.24 O ATOM 544 CB GLN A 57 31.440 -16.837 6.335 1.00 13.60 C ATOM 545 CG GLN A 57 30.178 -17.467 5.742 1.00 14.94 C ATOM 546 CD GLN A 57 28.891 -16.663 5.961 1.00 14.03 C ATOM 547 OE1 GLN A 57 28.929 -15.458 6.209 1.00 14.01 O ATOM 548 NE2 GLN A 57 27.719 -17.342 5.824 1.00 14.40 N ATOM 549 HE22 GLN A 57 27.730 -18.361 5.614 1.00 0.00 H ATOM 550 HE21 GLN A 57 26.813 -16.842 5.929 1.00 0.00 H ATOM 551 H GLN A 57 33.791 -16.221 7.179 1.00 0.00 H ATOM 552 N VAL A 58 32.630 -18.699 3.804 1.00 15.11 N ATOM 553 CA VAL A 58 32.570 -18.725 2.342 1.00 15.34 C ATOM 554 C VAL A 58 31.251 -18.133 1.898 1.00 14.59 C ATOM 555 O VAL A 58 30.172 -18.676 2.198 1.00 14.78 O ATOM 556 CB VAL A 58 32.774 -20.126 1.786 1.00 16.40 C ATOM 557 CG1 VAL A 58 32.538 -20.146 0.275 1.00 15.65 C ATOM 558 CG2 VAL A 58 34.149 -20.633 2.195 1.00 17.01 C ATOM 559 H VAL A 58 32.505 -19.586 4.333 1.00 0.00 H ATOM 560 N VAL A 59 31.316 -16.970 1.247 1.00 12.57 N ATOM 561 CA VAL A 59 30.107 -16.255 0.888 1.00 12.15 C ATOM 562 C VAL A 59 29.783 -16.415 -0.589 1.00 11.49 C ATOM 563 O VAL A 59 28.658 -16.121 -1.008 1.00 12.08 O ATOM 564 CB VAL A 59 30.147 -14.740 1.314 1.00 12.19 C ATOM 565 CG1 VAL A 59 30.335 -14.648 2.825 1.00 14.30 C ATOM 566 CG2 VAL A 59 31.247 -13.971 0.579 1.00 12.65 C ATOM 567 H VAL A 59 32.243 -16.572 0.995 1.00 0.00 H ATOM 568 N ILE A 60 30.767 -16.877 -1.356 1.00 10.86 N ATOM 569 CA ILE A 60 30.587 -17.105 -2.800 1.00 11.21 C ATOM 570 C ILE A 60 31.556 -18.179 -3.260 1.00 11.80 C ATOM 571 O ILE A 60 32.725 -18.199 -2.869 1.00 11.95 O ATOM 572 CB ILE A 60 30.714 -15.805 -3.639 1.00 11.28 C ATOM 573 CG1 ILE A 60 30.394 -16.076 -5.129 1.00 11.72 C ATOM 574 CG2 ILE A 60 32.088 -15.159 -3.464 1.00 11.19 C ATOM 575 CD1 ILE A 60 30.271 -14.769 -5.910 1.00 12.65 C ATOM 576 H ILE A 60 31.690 -17.083 -0.923 1.00 0.00 H ATOM 577 N ASN A 61 31.057 -19.071 -4.105 1.00 12.03 N ATOM 578 CA ASN A 61 31.858 -20.137 -4.625 1.00 14.22 C ATOM 579 C ASN A 61 31.170 -20.508 -5.903 1.00 14.66 C ATOM 580 O ASN A 61 30.249 -21.333 -5.936 1.00 14.05 O ATOM 581 CB ASN A 61 31.841 -21.304 -3.653 1.00 16.31 C ATOM 582 CG ASN A 61 32.689 -22.472 -4.111 1.00 18.23 C ATOM 583 OD1 ASN A 61 33.346 -22.461 -5.168 1.00 18.56 O ATOM 584 ND2 ASN A 61 32.653 -23.525 -3.314 1.00 22.49 N ATOM 585 HD22 ASN A 61 32.092 -23.496 -2.439 1.00 0.00 H ATOM 586 HD21 ASN A 61 33.186 -24.383 -3.562 1.00 0.00 H ATOM 587 H ASN A 61 30.062 -18.994 -4.396 1.00 0.00 H ATOM 588 N CYS A 62 31.583 -19.879 -6.979 1.00 15.00 N ATOM 589 CA CYS A 62 30.851 -20.137 -8.209 1.00 15.97 C ATOM 590 C CYS A 62 31.754 -20.280 -9.414 1.00 15.14 C ATOM 591 O CYS A 62 32.842 -19.686 -9.507 1.00 14.07 O ATOM 592 CB CYS A 62 29.776 -19.108 -8.418 1.00 19.44 C ATOM 593 SG CYS A 62 30.558 -17.547 -8.721 1.00 24.94 S ATOM 594 H CYS A 62 32.394 -19.228 -6.953 1.00 0.00 H ATOM 595 N ALA A 63 31.320 -21.133 -10.323 1.00 14.25 N ATOM 596 CA ALA A 63 32.083 -21.432 -11.524 1.00 15.41 C ATOM 597 C ALA A 63 32.109 -20.208 -12.460 1.00 14.16 C ATOM 598 O ALA A 63 31.198 -19.401 -12.430 1.00 14.95 O ATOM 599 CB ALA A 63 31.436 -22.640 -12.220 1.00 16.18 C ATOM 600 H ALA A 63 30.405 -21.605 -10.176 1.00 0.00 H ATOM 601 N ILE A 64 33.192 -20.055 -13.231 1.00 13.25 N ATOM 602 CA ILE A 64 33.247 -19.075 -14.302 1.00 13.76 C ATOM 603 C ILE A 64 33.209 -19.889 -15.620 1.00 13.80 C ATOM 604 O ILE A 64 34.198 -20.435 -16.049 1.00 13.44 O ATOM 605 CB ILE A 64 34.517 -18.225 -14.248 1.00 14.50 C ATOM 606 CG1 ILE A 64 34.630 -17.494 -12.923 1.00 15.16 C ATOM 607 CG2 ILE A 64 34.524 -17.202 -15.388 1.00 15.13 C ATOM 608 CD1 ILE A 64 36.064 -16.952 -12.735 1.00 15.01 C ATOM 609 H ILE A 64 34.022 -20.658 -13.058 1.00 0.00 H ATOM 610 N PRO A 65 32.035 -19.981 -16.232 1.00 14.09 N ATOM 611 CA PRO A 65 31.854 -20.700 -17.490 1.00 13.89 C ATOM 612 C PRO A 65 32.372 -19.905 -18.661 1.00 13.52 C ATOM 613 O PRO A 65 32.419 -18.664 -18.600 1.00 11.57 O ATOM 614 CB PRO A 65 30.312 -20.804 -17.604 1.00 13.72 C ATOM 615 CG PRO A 65 29.791 -20.432 -16.263 1.00 15.55 C ATOM 616 CD PRO A 65 30.763 -19.414 -15.752 1.00 14.88 C ATOM 617 N LYS A 66 32.726 -20.574 -19.750 1.00 15.04 N ATOM 618 CA LYS A 66 33.188 -19.788 -20.895 1.00 15.15 C ATOM 619 C LYS A 66 32.057 -18.913 -21.416 1.00 13.77 C ATOM 620 O LYS A 66 30.900 -19.311 -21.372 1.00 14.64 O ATOM 621 CB LYS A 66 33.880 -20.598 -21.997 1.00 20.87 C ATOM 622 CG LYS A 66 33.034 -21.593 -22.696 1.00 24.33 C ATOM 623 CD LYS A 66 33.790 -22.095 -23.945 1.00 32.94 C ATOM 624 CE LYS A 66 33.185 -23.375 -24.507 1.00 36.54 C ATOM 625 NZ LYS A 66 34.001 -23.964 -25.612 1.00 38.56 N ATOM 626 HZ1 LYS A 66 34.075 -23.278 -26.390 1.00 0.00 H ATOM 627 HZ2 LYS A 66 34.952 -24.190 -25.256 1.00 0.00 H ATOM 628 HZ3 LYS A 66 33.542 -24.832 -25.955 1.00 0.00 H ATOM 629 H LYS A 66 32.677 -21.612 -19.789 1.00 0.00 H ATOM 630 N GLY A 67 32.407 -17.703 -21.835 1.00 12.58 N ATOM 631 CA GLY A 67 31.428 -16.744 -22.296 1.00 12.13 C ATOM 632 C GLY A 67 30.589 -16.056 -21.211 1.00 11.27 C ATOM 633 O GLY A 67 29.637 -15.341 -21.525 1.00 9.78 O ATOM 634 H GLY A 67 33.413 -17.438 -21.832 1.00 0.00 H ATOM 635 N LEU A 68 30.906 -16.309 -19.934 1.00 9.83 N ATOM 636 CA LEU A 68 30.260 -15.513 -18.856 1.00 10.25 C ATOM 637 C LEU A 68 30.338 -14.032 -19.186 1.00 10.48 C ATOM 638 O LEU A 68 31.418 -13.549 -19.599 1.00 10.16 O ATOM 639 CB LEU A 68 31.004 -15.764 -17.542 1.00 10.91 C ATOM 640 CG LEU A 68 30.476 -15.006 -16.309 1.00 11.00 C ATOM 641 CD1 LEU A 68 30.721 -15.767 -15.024 1.00 13.17 C ATOM 642 CD2 LEU A 68 31.161 -13.641 -16.209 1.00 11.39 C ATOM 643 H LEU A 68 31.595 -17.052 -19.699 1.00 0.00 H ATOM 644 N LYS A 69 29.216 -13.336 -18.992 1.00 10.33 N ATOM 645 CA LYS A 69 29.060 -11.881 -19.221 1.00 10.36 C ATOM 646 C LYS A 69 29.290 -11.167 -17.894 1.00 10.44 C ATOM 647 O LYS A 69 28.474 -11.272 -16.947 1.00 10.19 O ATOM 648 CB LYS A 69 27.679 -11.580 -19.813 1.00 10.93 C ATOM 649 CG LYS A 69 27.470 -12.260 -21.173 1.00 12.14 C ATOM 650 CD LYS A 69 28.443 -11.704 -22.207 1.00 14.37 C ATOM 651 CE LYS A 69 28.168 -12.206 -23.636 1.00 15.41 C ATOM 652 NZ LYS A 69 27.997 -13.696 -23.689 1.00 16.96 N ATOM 653 HZ1 LYS A 69 28.864 -14.156 -23.345 1.00 0.00 H ATOM 654 HZ2 LYS A 69 27.195 -13.973 -23.088 1.00 0.00 H ATOM 655 HZ3 LYS A 69 27.814 -13.988 -24.670 1.00 0.00 H ATOM 656 H LYS A 69 28.383 -13.858 -18.652 1.00 0.00 H ATOM 657 N TYR A 70 30.443 -10.506 -17.792 1.00 10.07 N ATOM 658 CA TYR A 70 30.810 -9.848 -16.557 1.00 10.33 C ATOM 659 C TYR A 70 30.552 -8.364 -16.744 1.00 11.29 C ATOM 660 O TYR A 70 31.131 -7.742 -17.638 1.00 11.80 O ATOM 661 CB TYR A 70 32.298 -10.104 -16.270 1.00 9.92 C ATOM 662 CG TYR A 70 32.866 -9.444 -15.055 1.00 9.63 C ATOM 663 CD1 TYR A 70 33.536 -8.194 -15.163 1.00 9.92 C ATOM 664 CD2 TYR A 70 32.766 -10.059 -13.781 1.00 10.41 C ATOM 665 CE1 TYR A 70 34.099 -7.594 -14.035 1.00 10.66 C ATOM 666 CE2 TYR A 70 33.307 -9.460 -12.671 1.00 10.93 C ATOM 667 CZ TYR A 70 33.968 -8.215 -12.815 1.00 10.70 C ATOM 668 OH TYR A 70 34.508 -7.686 -11.682 1.00 11.39 O ATOM 669 HH TYR A 70 34.942 -6.822 -11.897 1.00 0.00 H ATOM 670 H TYR A 70 31.085 -10.463 -18.609 1.00 0.00 H ATOM 671 N ASN A 71 29.673 -7.782 -15.929 1.00 10.62 N ATOM 672 CA ASN A 71 29.183 -6.431 -16.134 1.00 11.43 C ATOM 673 C ASN A 71 29.795 -5.423 -15.157 1.00 11.20 C ATOM 674 O ASN A 71 29.645 -5.575 -13.953 1.00 11.09 O ATOM 675 CB ASN A 71 27.659 -6.376 -15.970 1.00 13.05 C ATOM 676 CG ASN A 71 27.090 -5.023 -16.409 1.00 15.07 C ATOM 677 OD1 ASN A 71 26.365 -4.345 -15.679 1.00 16.40 O ATOM 678 ND2 ASN A 71 27.481 -4.604 -17.587 1.00 15.50 N ATOM 679 HD22 ASN A 71 28.093 -5.204 -18.176 1.00 0.00 H ATOM 680 HD21 ASN A 71 27.179 -3.671 -17.934 1.00 0.00 H ATOM 681 H ASN A 71 29.323 -8.319 -15.110 1.00 0.00 H ATOM 682 N GLN A 72 30.479 -4.406 -15.669 1.00 11.61 N ATOM 683 CA GLN A 72 31.057 -3.404 -14.801 1.00 12.34 C ATOM 684 C GLN A 72 30.045 -2.271 -14.694 1.00 12.66 C ATOM 685 O GLN A 72 30.073 -1.328 -15.487 1.00 14.47 O ATOM 686 CB GLN A 72 32.441 -2.950 -15.324 1.00 12.38 C ATOM 687 CG GLN A 72 33.442 -4.098 -15.319 1.00 14.88 C ATOM 688 CD GLN A 72 34.769 -3.704 -15.952 1.00 15.98 C ATOM 689 OE1 GLN A 72 35.437 -2.770 -15.486 1.00 16.84 O ATOM 690 NE2 GLN A 72 35.165 -4.434 -17.008 1.00 17.57 N ATOM 691 HE22 GLN A 72 34.566 -5.208 -17.359 1.00 0.00 H ATOM 692 HE21 GLN A 72 36.071 -4.225 -17.474 1.00 0.00 H ATOM 693 H GLN A 72 30.600 -4.330 -16.699 1.00 0.00 H ATOM 694 N ALA A 73 29.104 -2.411 -13.756 1.00 11.98 N ATOM 695 CA ALA A 73 27.948 -1.513 -13.644 1.00 11.82 C ATOM 696 C ALA A 73 28.369 -0.093 -13.236 1.00 13.08 C ATOM 697 O ALA A 73 27.872 0.884 -13.781 1.00 12.33 O ATOM 698 CB ALA A 73 26.950 -2.062 -12.646 1.00 12.66 C ATOM 699 H ALA A 73 29.194 -3.191 -13.074 1.00 0.00 H ATOM 700 N THR A 74 29.278 -0.005 -12.264 1.00 11.84 N ATOM 701 CA THR A 74 29.866 1.271 -11.861 1.00 11.79 C ATOM 702 C THR A 74 31.337 1.028 -11.670 1.00 12.07 C ATOM 703 O THR A 74 31.840 -0.085 -11.857 1.00 11.47 O ATOM 704 CB THR A 74 29.254 1.756 -10.514 1.00 11.18 C ATOM 705 OG1 THR A 74 29.825 1.029 -9.406 1.00 10.23 O ATOM 706 CG2 THR A 74 27.707 1.511 -10.465 1.00 11.84 C ATOM 707 HG1 THR A 74 29.424 1.351 -8.560 1.00 0.00 H ATOM 708 H THR A 74 29.578 -0.873 -11.777 1.00 0.00 H ATOM 709 N GLN A 75 32.049 2.077 -11.286 1.00 12.92 N ATOM 710 CA GLN A 75 33.481 1.940 -11.095 1.00 13.22 C ATOM 711 C GLN A 75 33.844 0.967 -9.986 1.00 12.68 C ATOM 712 O GLN A 75 34.941 0.382 -10.012 1.00 13.63 O ATOM 713 CB GLN A 75 34.085 3.321 -10.835 1.00 16.07 C ATOM 714 CG GLN A 75 33.983 4.179 -12.085 1.00 20.96 C ATOM 715 CD GLN A 75 34.811 5.432 -11.991 1.00 27.34 C ATOM 716 OE1 GLN A 75 34.877 6.073 -10.938 1.00 33.55 O ATOM 717 NE2 GLN A 75 35.467 5.785 -13.082 1.00 30.29 N ATOM 718 HE22 GLN A 75 35.382 5.215 -13.947 1.00 0.00 H ATOM 719 HE21 GLN A 75 36.069 6.633 -13.075 1.00 0.00 H ATOM 720 H GLN A 75 31.585 2.993 -11.122 1.00 0.00 H ATOM 721 N THR A 76 32.934 0.720 -9.044 1.00 11.64 N ATOM 722 CA THR A 76 33.283 -0.204 -7.960 1.00 10.63 C ATOM 723 C THR A 76 32.236 -1.273 -7.659 1.00 10.26 C ATOM 724 O THR A 76 32.343 -1.954 -6.639 1.00 10.80 O ATOM 725 CB THR A 76 33.586 0.510 -6.629 1.00 11.70 C ATOM 726 OG1 THR A 76 32.443 1.299 -6.262 1.00 12.24 O ATOM 727 CG2 THR A 76 34.854 1.444 -6.741 1.00 11.52 C ATOM 728 HG1 THR A 76 32.263 1.967 -6.970 1.00 0.00 H ATOM 729 H THR A 76 31.998 1.172 -9.077 1.00 0.00 H ATOM 730 N PHE A 77 31.211 -1.372 -8.480 1.00 9.98 N ATOM 731 CA PHE A 77 30.242 -2.480 -8.368 1.00 9.01 C ATOM 732 C PHE A 77 30.167 -3.257 -9.686 1.00 8.81 C ATOM 733 O PHE A 77 29.720 -2.726 -10.718 1.00 8.48 O ATOM 734 CB PHE A 77 28.864 -1.929 -7.971 1.00 10.21 C ATOM 735 CG PHE A 77 27.858 -3.001 -7.713 1.00 10.20 C ATOM 736 CD1 PHE A 77 27.799 -3.605 -6.475 1.00 11.46 C ATOM 737 CD2 PHE A 77 26.966 -3.386 -8.718 1.00 11.40 C ATOM 738 CE1 PHE A 77 26.859 -4.635 -6.242 1.00 11.42 C ATOM 739 CE2 PHE A 77 26.026 -4.423 -8.477 1.00 11.54 C ATOM 740 CZ PHE A 77 25.970 -5.004 -7.231 1.00 11.79 C ATOM 741 H PHE A 77 31.082 -0.655 -9.222 1.00 0.00 H ATOM 742 N HIS A 78 30.572 -4.530 -9.650 1.00 8.13 N ATOM 743 CA HIS A 78 30.513 -5.357 -10.856 1.00 8.33 C ATOM 744 C HIS A 78 29.621 -6.546 -10.562 1.00 8.42 C ATOM 745 O HIS A 78 29.371 -6.847 -9.405 1.00 8.85 O ATOM 746 CB HIS A 78 31.905 -5.847 -11.236 1.00 8.35 C ATOM 747 CG HIS A 78 32.881 -4.746 -11.534 1.00 8.50 C ATOM 748 ND1 HIS A 78 34.228 -4.985 -11.715 1.00 8.39 N ATOM 749 CD2 HIS A 78 32.716 -3.400 -11.663 1.00 8.25 C ATOM 750 CE1 HIS A 78 34.843 -3.841 -11.960 1.00 8.29 C ATOM 751 NE2 HIS A 78 33.946 -2.862 -11.934 1.00 8.05 N ATOM 752 H HIS A 78 30.931 -4.935 -8.762 1.00 0.00 H ATOM 753 N GLN A 79 29.129 -7.203 -11.604 1.00 8.13 N ATOM 754 CA GLN A 79 28.098 -8.234 -11.410 1.00 8.98 C ATOM 755 C GLN A 79 28.127 -9.255 -12.551 1.00 9.30 C ATOM 756 O GLN A 79 28.619 -8.976 -13.652 1.00 9.31 O ATOM 757 CB GLN A 79 26.695 -7.566 -11.330 1.00 9.75 C ATOM 758 CG GLN A 79 26.388 -6.793 -12.591 1.00 11.30 C ATOM 759 CD GLN A 79 25.103 -5.976 -12.456 1.00 12.55 C ATOM 760 OE1 GLN A 79 24.239 -6.271 -11.604 1.00 14.18 O ATOM 761 NE2 GLN A 79 24.931 -5.046 -13.337 1.00 11.94 N ATOM 762 HE22 GLN A 79 25.681 -4.837 -14.026 1.00 0.00 H ATOM 763 HE21 GLN A 79 24.042 -4.506 -13.357 1.00 0.00 H ATOM 764 H GLN A 79 29.473 -6.988 -12.562 1.00 0.00 H ATOM 765 N TRP A 80 27.579 -10.434 -12.256 1.00 9.08 N ATOM 766 CA TRP A 80 27.378 -11.504 -13.241 1.00 9.47 C ATOM 767 C TRP A 80 26.274 -12.400 -12.747 1.00 9.51 C ATOM 768 O TRP A 80 25.756 -12.258 -11.606 1.00 9.94 O ATOM 769 CB TRP A 80 28.666 -12.293 -13.546 1.00 9.13 C ATOM 770 CG TRP A 80 29.162 -13.144 -12.411 1.00 9.95 C ATOM 771 CD1 TRP A 80 28.872 -14.455 -12.192 1.00 9.68 C ATOM 772 CD2 TRP A 80 30.008 -12.727 -11.329 1.00 10.28 C ATOM 773 NE1 TRP A 80 29.504 -14.897 -11.045 1.00 10.49 N ATOM 774 CE2 TRP A 80 30.191 -13.847 -10.485 1.00 10.69 C ATOM 775 CE3 TRP A 80 30.637 -11.510 -11.001 1.00 11.07 C ATOM 776 CZ2 TRP A 80 30.989 -13.796 -9.335 1.00 11.53 C ATOM 777 CZ3 TRP A 80 31.428 -11.461 -9.826 1.00 11.68 C ATOM 778 CH2 TRP A 80 31.586 -12.604 -9.020 1.00 11.60 C ATOM 779 HE1 TRP A 80 29.466 -15.865 -10.668 1.00 0.00 H ATOM 780 H TRP A 80 27.278 -10.605 -11.275 1.00 0.00 H ATOM 781 N ARG A 81 25.841 -13.309 -13.586 1.00 9.48 N ATOM 782 CA ARG A 81 24.700 -14.121 -13.157 1.00 10.54 C ATOM 783 C ARG A 81 24.927 -15.595 -13.405 1.00 10.51 C ATOM 784 O ARG A 81 25.797 -16.001 -14.179 1.00 11.91 O ATOM 785 CB ARG A 81 23.428 -13.678 -13.872 1.00 10.82 C ATOM 786 CG ARG A 81 23.417 -14.014 -15.352 1.00 11.37 C ATOM 787 CD ARG A 81 22.628 -13.037 -16.242 1.00 10.16 C ATOM 788 NE ARG A 81 23.118 -13.364 -17.567 1.00 11.24 N ATOM 789 CZ ARG A 81 23.328 -12.524 -18.552 1.00 10.34 C ATOM 790 NH1 ARG A 81 23.896 -12.983 -19.655 1.00 11.76 N ATOM 791 NH2 ARG A 81 22.999 -11.244 -18.434 1.00 10.08 N ATOM 792 HE ARG A 81 23.324 -14.366 -17.755 1.00 0.00 H ATOM 793 HH12 ARG A 81 24.075 -12.341 -20.453 1.00 0.00 H ATOM 794 HH11 ARG A 81 24.163 -13.986 -19.724 1.00 0.00 H ATOM 795 HH22 ARG A 81 23.171 -10.588 -19.223 1.00 0.00 H ATOM 796 HH21 ARG A 81 22.569 -10.897 -17.553 1.00 0.00 H ATOM 797 H ARG A 81 26.288 -13.448 -14.515 1.00 0.00 H ATOM 798 N ASP A 82 24.137 -16.410 -12.731 1.00 10.43 N ATOM 799 CA ASP A 82 23.899 -17.760 -13.219 1.00 11.28 C ATOM 800 C ASP A 82 22.392 -18.019 -13.173 1.00 10.91 C ATOM 801 O ASP A 82 21.599 -17.110 -12.971 1.00 11.55 O ATOM 802 CB ASP A 82 24.734 -18.821 -12.460 1.00 12.56 C ATOM 803 CG ASP A 82 24.394 -18.936 -10.983 1.00 13.75 C ATOM 804 OD1 ASP A 82 23.243 -18.670 -10.600 1.00 13.33 O ATOM 805 OD2 ASP A 82 25.294 -19.398 -10.196 1.00 15.62 O ATOM 806 H ASP A 82 23.685 -16.087 -11.852 1.00 0.00 H ATOM 807 N ALA A 83 22.008 -19.263 -13.404 1.00 11.91 N ATOM 808 CA ALA A 83 20.596 -19.609 -13.466 1.00 12.80 C ATOM 809 C ALA A 83 19.871 -19.257 -12.162 1.00 13.29 C ATOM 810 O ALA A 83 18.692 -18.849 -12.190 1.00 13.44 O ATOM 811 CB ALA A 83 20.492 -21.103 -13.751 1.00 13.21 C ATOM 812 H ALA A 83 22.725 -20.004 -13.543 1.00 0.00 H ATOM 813 N ARG A 84 20.593 -19.368 -11.039 1.00 13.56 N ATOM 814 CA ARG A 84 19.978 -19.309 -9.713 1.00 14.51 C ATOM 815 C ARG A 84 20.018 -17.918 -9.094 1.00 13.83 C ATOM 816 O ARG A 84 19.092 -17.560 -8.358 1.00 14.42 O ATOM 817 CB ARG A 84 20.644 -20.290 -8.733 1.00 17.43 C ATOM 818 CG ARG A 84 20.677 -21.747 -9.166 1.00 23.83 C ATOM 819 CD ARG A 84 21.266 -22.567 -8.022 1.00 26.39 C ATOM 820 NE ARG A 84 20.468 -22.302 -6.827 1.00 32.49 N ATOM 821 CZ ARG A 84 19.703 -23.202 -6.201 1.00 35.01 C ATOM 822 NH1 ARG A 84 19.677 -24.472 -6.599 1.00 35.34 N ATOM 823 NH2 ARG A 84 18.981 -22.831 -5.155 1.00 34.40 N ATOM 824 HE ARG A 84 20.497 -21.340 -6.433 1.00 0.00 H ATOM 825 HH12 ARG A 84 19.077 -25.161 -6.102 1.00 0.00 H ATOM 826 HH11 ARG A 84 20.257 -24.776 -7.407 1.00 0.00 H ATOM 827 HH22 ARG A 84 18.383 -23.526 -4.663 1.00 0.00 H ATOM 828 HH21 ARG A 84 19.011 -21.845 -4.825 1.00 0.00 H ATOM 829 H ARG A 84 21.622 -19.500 -11.112 1.00 0.00 H ATOM 830 N GLN A 85 21.079 -17.153 -9.372 1.00 13.55 N ATOM 831 CA GLN A 85 21.349 -15.920 -8.627 1.00 14.64 C ATOM 832 C GLN A 85 22.127 -14.982 -9.506 1.00 12.31 C ATOM 833 O GLN A 85 22.826 -15.411 -10.407 1.00 12.80 O ATOM 834 CB GLN A 85 22.288 -16.209 -7.425 1.00 17.57 C ATOM 835 CG GLN A 85 21.724 -17.142 -6.375 1.00 24.96 C ATOM 836 CD GLN A 85 22.500 -17.070 -5.102 1.00 24.72 C ATOM 837 OE1 GLN A 85 22.115 -16.374 -4.166 1.00 28.10 O ATOM 838 NE2 GLN A 85 23.623 -17.771 -5.065 1.00 26.93 N ATOM 839 HE22 GLN A 85 23.905 -18.345 -5.885 1.00 0.00 H ATOM 840 HE21 GLN A 85 24.223 -17.747 -4.216 1.00 0.00 H ATOM 841 H GLN A 85 21.727 -17.439 -10.134 1.00 0.00 H ATOM 842 N VAL A 86 22.027 -13.694 -9.185 1.00 11.99 N ATOM 843 CA VAL A 86 22.903 -12.680 -9.715 1.00 10.95 C ATOM 844 C VAL A 86 23.823 -12.255 -8.570 1.00 10.23 C ATOM 845 O VAL A 86 23.352 -11.995 -7.445 1.00 9.60 O ATOM 846 CB VAL A 86 22.076 -11.470 -10.141 1.00 11.43 C ATOM 847 CG1 VAL A 86 22.973 -10.400 -10.752 1.00 11.98 C ATOM 848 CG2 VAL A 86 21.035 -11.931 -11.166 1.00 11.62 C ATOM 849 H VAL A 86 21.281 -13.406 -8.520 1.00 0.00 H ATOM 850 N TYR A 87 25.116 -12.211 -8.869 1.00 9.44 N ATOM 851 CA TYR A 87 26.155 -11.849 -7.887 1.00 10.08 C ATOM 852 C TYR A 87 26.643 -10.457 -8.142 1.00 9.64 C ATOM 853 O TYR A 87 26.779 -10.041 -9.306 1.00 9.97 O ATOM 854 CB TYR A 87 27.339 -12.786 -8.048 1.00 10.73 C ATOM 855 CG TYR A 87 26.939 -14.239 -7.980 1.00 11.75 C ATOM 856 CD1 TYR A 87 26.788 -14.879 -6.749 1.00 13.17 C ATOM 857 CD2 TYR A 87 26.645 -14.962 -9.157 1.00 12.64 C ATOM 858 CE1 TYR A 87 26.401 -16.241 -6.696 1.00 14.93 C ATOM 859 CE2 TYR A 87 26.262 -16.279 -9.094 1.00 15.05 C ATOM 860 CZ TYR A 87 26.148 -16.914 -7.863 1.00 16.92 C ATOM 861 OH TYR A 87 25.729 -18.248 -7.872 1.00 19.05 O ATOM 862 HH TYR A 87 26.372 -18.791 -8.393 1.00 0.00 H ATOM 863 H TYR A 87 25.409 -12.442 -9.840 1.00 0.00 H ATOM 864 N GLY A 88 26.973 -9.743 -7.068 1.00 9.47 N ATOM 865 CA GLY A 88 27.504 -8.378 -7.200 1.00 10.03 C ATOM 866 C GLY A 88 28.670 -8.230 -6.265 1.00 10.42 C ATOM 867 O GLY A 88 28.676 -8.807 -5.194 1.00 10.67 O ATOM 868 H GLY A 88 26.853 -10.157 -6.121 1.00 0.00 H ATOM 869 N LEU A 89 29.736 -7.570 -6.717 1.00 9.56 N ATOM 870 CA LEU A 89 30.903 -7.295 -5.849 1.00 8.91 C ATOM 871 C LEU A 89 30.973 -5.798 -5.684 1.00 9.07 C ATOM 872 O LEU A 89 31.059 -5.092 -6.689 1.00 9.46 O ATOM 873 CB LEU A 89 32.197 -7.757 -6.515 1.00 9.07 C ATOM 874 CG LEU A 89 32.260 -9.264 -6.805 1.00 9.12 C ATOM 875 CD1 LEU A 89 33.556 -9.622 -7.491 1.00 9.93 C ATOM 876 CD2 LEU A 89 32.114 -10.103 -5.515 1.00 9.62 C ATOM 877 H LEU A 89 29.748 -7.240 -7.703 1.00 0.00 H ATOM 878 N ASN A 90 30.883 -5.319 -4.441 1.00 9.09 N ATOM 879 CA ASN A 90 31.009 -3.888 -4.127 1.00 9.81 C ATOM 880 C ASN A 90 32.454 -3.726 -3.631 1.00 9.48 C ATOM 881 O ASN A 90 32.792 -4.070 -2.489 1.00 8.73 O ATOM 882 CB ASN A 90 29.948 -3.498 -3.045 1.00 12.33 C ATOM 883 CG ASN A 90 29.208 -2.211 -3.398 1.00 15.19 C ATOM 884 OD1 ASN A 90 29.687 -1.428 -4.203 1.00 17.90 O ATOM 885 ND2 ASN A 90 28.052 -1.970 -2.762 1.00 20.02 N ATOM 886 HD22 ASN A 90 27.678 -2.663 -2.083 1.00 0.00 H ATOM 887 HD21 ASN A 90 27.530 -1.090 -2.948 1.00 0.00 H ATOM 888 H ASN A 90 30.717 -5.987 -3.661 1.00 0.00 H ATOM 889 N PHE A 91 33.346 -3.281 -4.506 1.00 9.82 N ATOM 890 CA PHE A 91 34.767 -3.239 -4.196 1.00 10.74 C ATOM 891 C PHE A 91 35.107 -2.123 -3.261 1.00 11.94 C ATOM 892 O PHE A 91 34.416 -1.127 -3.230 1.00 12.50 O ATOM 893 CB PHE A 91 35.588 -3.085 -5.479 1.00 10.33 C ATOM 894 CG PHE A 91 35.539 -4.313 -6.343 1.00 9.60 C ATOM 895 CD1 PHE A 91 34.690 -4.354 -7.442 1.00 10.20 C ATOM 896 CD2 PHE A 91 36.352 -5.405 -6.056 1.00 9.88 C ATOM 897 CE1 PHE A 91 34.634 -5.463 -8.262 1.00 9.85 C ATOM 898 CE2 PHE A 91 36.305 -6.549 -6.865 1.00 9.77 C ATOM 899 CZ PHE A 91 35.441 -6.557 -7.969 1.00 9.30 C ATOM 900 H PHE A 91 33.021 -2.954 -5.438 1.00 0.00 H ATOM 901 N GLY A 92 36.187 -2.347 -2.510 1.00 13.67 N ATOM 902 CA GLY A 92 36.793 -1.349 -1.620 1.00 15.61 C ATOM 903 C GLY A 92 37.340 -0.088 -2.273 1.00 16.63 C ATOM 904 O GLY A 92 37.495 0.928 -1.595 1.00 17.24 O ATOM 905 H GLY A 92 36.627 -3.288 -2.558 1.00 0.00 H ATOM 906 N SER A 93 37.705 -0.157 -3.570 1.00 15.82 N ATOM 907 CA SER A 93 38.277 0.968 -4.361 1.00 15.71 C ATOM 908 C SER A 93 38.207 0.644 -5.849 1.00 15.60 C ATOM 909 O SER A 93 38.052 -0.522 -6.207 1.00 15.86 O ATOM 910 CB SER A 93 39.764 1.143 -4.060 1.00 18.11 C ATOM 911 OG SER A 93 40.482 -0.002 -4.503 1.00 17.93 O ATOM 912 HG SER A 93 40.144 -0.805 -4.032 1.00 0.00 H ATOM 913 H SER A 93 37.577 -1.068 -4.056 1.00 0.00 H ATOM 914 N LYS A 94 38.340 1.671 -6.682 1.00 17.18 N ATOM 915 CA LYS A 94 38.320 1.548 -8.125 1.00 17.94 C ATOM 916 C LYS A 94 39.476 0.654 -8.548 1.00 17.29 C ATOM 917 O LYS A 94 39.372 -0.105 -9.508 1.00 14.91 O ATOM 918 CB LYS A 94 38.475 2.926 -8.762 1.00 22.80 C ATOM 919 CG LYS A 94 38.176 2.989 -10.248 1.00 25.96 C ATOM 920 CD LYS A 94 38.014 4.431 -10.744 1.00 32.83 C ATOM 921 CE LYS A 94 39.202 5.335 -10.397 1.00 37.01 C ATOM 922 NZ LYS A 94 38.915 6.803 -10.550 1.00 42.20 N ATOM 923 HZ1 LYS A 94 38.653 7.003 -11.536 1.00 0.00 H ATOM 924 HZ2 LYS A 94 38.131 7.069 -9.921 1.00 0.00 H ATOM 925 HZ3 LYS A 94 39.764 7.349 -10.298 1.00 0.00 H ATOM 926 H LYS A 94 38.466 2.619 -6.274 1.00 0.00 H ATOM 927 N GLU A 95 40.583 0.778 -7.832 1.00 18.02 N ATOM 928 CA GLU A 95 41.788 0.004 -8.152 1.00 19.19 C ATOM 929 C GLU A 95 41.579 -1.505 -7.937 1.00 16.21 C ATOM 930 O GLU A 95 41.955 -2.301 -8.834 1.00 16.13 O ATOM 931 CB GLU A 95 43.007 0.584 -7.407 1.00 23.02 C ATOM 932 CG GLU A 95 43.487 1.899 -8.004 1.00 26.88 C ATOM 933 CD GLU A 95 42.640 3.129 -7.627 1.00 30.56 C ATOM 934 OE1 GLU A 95 42.213 3.899 -8.544 1.00 32.44 O ATOM 935 OE2 GLU A 95 42.391 3.310 -6.413 1.00 33.50 O ATOM 936 H GLU A 95 40.599 1.437 -7.027 1.00 0.00 H ATOM 937 N ASP A 96 40.959 -1.892 -6.802 1.00 14.90 N ATOM 938 CA ASP A 96 40.616 -3.280 -6.472 1.00 13.49 C ATOM 939 C ASP A 96 39.714 -3.790 -7.626 1.00 12.33 C ATOM 940 O ASP A 96 39.871 -4.941 -8.075 1.00 11.95 O ATOM 941 CB ASP A 96 39.784 -3.448 -5.152 1.00 15.35 C ATOM 942 CG ASP A 96 40.638 -3.634 -3.833 1.00 18.80 C ATOM 943 OD1 ASP A 96 40.867 -2.626 -3.175 1.00 17.37 O ATOM 944 OD2 ASP A 96 40.966 -4.778 -3.377 1.00 19.52 O ATOM 945 H ASP A 96 40.707 -1.155 -6.113 1.00 0.00 H ATOM 946 N ALA A 97 38.718 -2.969 -8.024 1.00 10.86 N ATOM 947 CA ALA A 97 37.732 -3.353 -9.066 1.00 10.84 C ATOM 948 C ALA A 97 38.450 -3.605 -10.373 1.00 11.19 C ATOM 949 O ALA A 97 38.166 -4.608 -11.056 1.00 10.63 O ATOM 950 CB ALA A 97 36.659 -2.260 -9.272 1.00 11.37 C ATOM 951 H ALA A 97 38.638 -2.030 -7.583 1.00 0.00 H ATOM 952 N ASN A 98 39.350 -2.691 -10.722 1.00 11.09 N ATOM 953 CA ASN A 98 40.027 -2.797 -12.026 1.00 13.04 C ATOM 954 C ASN A 98 40.901 -4.028 -12.052 1.00 12.40 C ATOM 955 O ASN A 98 40.953 -4.724 -13.085 1.00 11.96 O ATOM 956 CB ASN A 98 40.826 -1.543 -12.325 1.00 15.06 C ATOM 957 CG ASN A 98 39.928 -0.376 -12.701 1.00 17.86 C ATOM 958 OD1 ASN A 98 38.768 -0.546 -13.098 1.00 20.84 O ATOM 959 ND2 ASN A 98 40.463 0.829 -12.561 1.00 21.10 N ATOM 960 HD22 ASN A 98 41.442 0.927 -12.224 1.00 0.00 H ATOM 961 HD21 ASN A 98 39.904 1.676 -12.788 1.00 0.00 H ATOM 962 H ASN A 98 39.575 -1.906 -10.078 1.00 0.00 H ATOM 963 N VAL A 99 41.521 -4.335 -10.922 1.00 12.20 N ATOM 964 CA VAL A 99 42.394 -5.536 -10.859 1.00 13.36 C ATOM 965 C VAL A 99 41.560 -6.794 -11.066 1.00 11.83 C ATOM 966 O VAL A 99 41.906 -7.699 -11.866 1.00 11.93 O ATOM 967 CB VAL A 99 43.177 -5.609 -9.517 1.00 13.97 C ATOM 968 CG1 VAL A 99 43.729 -7.033 -9.263 1.00 17.60 C ATOM 969 CG2 VAL A 99 44.271 -4.541 -9.538 1.00 15.13 C ATOM 970 H VAL A 99 41.397 -3.737 -10.081 1.00 0.00 H ATOM 971 N PHE A 100 40.434 -6.842 -10.353 1.00 10.48 N ATOM 972 CA PHE A 100 39.582 -8.013 -10.431 1.00 10.28 C ATOM 973 C PHE A 100 38.995 -8.170 -11.832 1.00 9.39 C ATOM 974 O PHE A 100 39.074 -9.272 -12.445 1.00 9.18 O ATOM 975 CB PHE A 100 38.467 -7.931 -9.383 1.00 10.93 C ATOM 976 CG PHE A 100 37.794 -9.242 -9.163 1.00 11.00 C ATOM 977 CD1 PHE A 100 38.313 -10.149 -8.245 1.00 11.00 C ATOM 978 CD2 PHE A 100 36.695 -9.591 -9.928 1.00 10.66 C ATOM 979 CE1 PHE A 100 37.689 -11.378 -8.045 1.00 10.78 C ATOM 980 CE2 PHE A 100 36.084 -10.821 -9.758 1.00 10.24 C ATOM 981 CZ PHE A 100 36.575 -11.703 -8.810 1.00 10.76 C ATOM 982 H PHE A 100 40.168 -6.043 -9.743 1.00 0.00 H ATOM 983 N ALA A 101 38.407 -7.082 -12.330 1.00 8.92 N ATOM 984 CA ALA A 101 37.865 -7.078 -13.695 1.00 8.92 C ATOM 985 C ALA A 101 38.884 -7.536 -14.716 1.00 8.95 C ATOM 986 O ALA A 101 38.548 -8.349 -15.599 1.00 9.04 O ATOM 987 CB ALA A 101 37.308 -5.719 -14.097 1.00 9.50 C ATOM 988 H ALA A 101 38.331 -6.226 -11.745 1.00 0.00 H ATOM 989 N SER A 102 40.118 -7.030 -14.592 1.00 8.10 N ATOM 990 CA SER A 102 41.136 -7.431 -15.583 1.00 8.67 C ATOM 991 C SER A 102 41.450 -8.932 -15.508 1.00 8.30 C ATOM 992 O SER A 102 41.579 -9.601 -16.528 1.00 7.91 O ATOM 993 CB SER A 102 42.402 -6.617 -15.432 1.00 8.85 C ATOM 994 OG SER A 102 43.296 -6.937 -16.480 1.00 9.33 O ATOM 995 HG SER A 102 43.516 -7.901 -16.441 1.00 0.00 H ATOM 996 H SER A 102 40.352 -6.374 -13.820 1.00 0.00 H ATOM 997 N ALA A 103 41.557 -9.457 -14.293 1.00 8.32 N ATOM 998 CA ALA A 103 41.832 -10.877 -14.138 1.00 9.30 C ATOM 999 C ALA A 103 40.634 -11.674 -14.707 1.00 9.31 C ATOM 1000 O ALA A 103 40.840 -12.739 -15.333 1.00 10.00 O ATOM 1001 CB ALA A 103 42.050 -11.193 -12.673 1.00 9.01 C ATOM 1002 H ALA A 103 41.444 -8.854 -13.453 1.00 0.00 H ATOM 1003 N MET A 104 39.417 -11.205 -14.469 1.00 8.75 N ATOM 1004 CA MET A 104 38.222 -11.926 -14.954 1.00 9.12 C ATOM 1005 C MET A 104 38.246 -11.940 -16.500 1.00 9.10 C ATOM 1006 O MET A 104 38.038 -12.992 -17.114 1.00 9.71 O ATOM 1007 CB MET A 104 36.950 -11.250 -14.429 1.00 9.71 C ATOM 1008 CG MET A 104 35.664 -11.829 -14.953 1.00 10.74 C ATOM 1009 SD MET A 104 35.388 -13.569 -14.502 1.00 12.90 S ATOM 1010 CE MET A 104 34.950 -13.391 -12.760 1.00 13.20 C ATOM 1011 H MET A 104 39.302 -10.320 -13.935 1.00 0.00 H ATOM 1012 N MET A 105 38.505 -10.798 -17.116 1.00 9.76 N ATOM 1013 CA MET A 105 38.452 -10.696 -18.572 1.00 10.98 C ATOM 1014 C MET A 105 39.542 -11.555 -19.180 1.00 10.71 C ATOM 1015 O MET A 105 39.339 -12.133 -20.250 1.00 9.88 O ATOM 1016 CB MET A 105 38.570 -9.249 -19.035 1.00 13.04 C ATOM 1017 CG MET A 105 37.385 -8.377 -18.604 1.00 15.01 C ATOM 1018 SD MET A 105 35.734 -9.137 -18.714 1.00 22.64 S ATOM 1019 CE MET A 105 35.422 -8.835 -20.448 1.00 22.71 C ATOM 1020 H MET A 105 38.751 -9.958 -16.554 1.00 0.00 H ATOM 1021 N HIS A 106 40.691 -11.625 -18.509 1.00 11.48 N ATOM 1022 CA HIS A 106 41.788 -12.423 -19.010 1.00 11.58 C ATOM 1023 C HIS A 106 41.512 -13.898 -18.799 1.00 12.20 C ATOM 1024 O HIS A 106 41.893 -14.678 -19.661 1.00 12.43 O ATOM 1025 CB HIS A 106 43.168 -11.988 -18.481 1.00 12.17 C ATOM 1026 CG HIS A 106 43.636 -10.675 -19.036 1.00 13.08 C ATOM 1027 ND1 HIS A 106 44.391 -10.569 -20.198 1.00 14.82 N ATOM 1028 CD2 HIS A 106 43.404 -9.403 -18.621 1.00 12.53 C ATOM 1029 CE1 HIS A 106 44.624 -9.290 -20.446 1.00 12.04 C ATOM 1030 NE2 HIS A 106 44.056 -8.570 -19.492 1.00 15.30 N ATOM 1031 H HIS A 106 40.800 -11.101 -17.617 1.00 0.00 H ATOM 1032 N ALA A 107 40.839 -14.271 -17.702 1.00 11.40 N ATOM 1033 CA ALA A 107 40.383 -15.657 -17.520 1.00 11.62 C ATOM 1034 C ALA A 107 39.450 -16.096 -18.657 1.00 12.16 C ATOM 1035 O ALA A 107 39.606 -17.190 -19.206 1.00 11.99 O ATOM 1036 CB ALA A 107 39.732 -15.842 -16.157 1.00 12.50 C ATOM 1037 H ALA A 107 40.635 -13.566 -16.965 1.00 0.00 H ATOM 1038 N LEU A 108 38.529 -15.201 -19.044 1.00 12.06 N ATOM 1039 CA LEU A 108 37.510 -15.514 -20.072 1.00 13.50 C ATOM 1040 C LEU A 108 38.165 -15.750 -21.417 1.00 14.57 C ATOM 1041 O LEU A 108 37.611 -16.482 -22.221 1.00 14.35 O ATOM 1042 CB LEU A 108 36.449 -14.427 -20.123 1.00 13.08 C ATOM 1043 CG LEU A 108 35.508 -14.459 -18.898 1.00 14.34 C ATOM 1044 CD1 LEU A 108 34.705 -13.177 -18.854 1.00 16.38 C ATOM 1045 CD2 LEU A 108 34.546 -15.661 -19.022 1.00 15.05 C ATOM 1046 H LEU A 108 38.531 -14.257 -18.608 1.00 0.00 H ATOM 1047 N GLU A 109 39.375 -15.198 -21.617 1.00 15.12 N ATOM 1048 CA GLU A 109 40.150 -15.437 -22.837 1.00 17.53 C ATOM 1049 C GLU A 109 40.938 -16.743 -22.819 1.00 15.82 C ATOM 1050 O GLU A 109 41.326 -17.219 -23.862 1.00 17.36 O ATOM 1051 CB GLU A 109 41.075 -14.258 -23.112 1.00 20.05 C ATOM 1052 CG GLU A 109 40.271 -13.007 -23.366 1.00 25.84 C ATOM 1053 CD GLU A 109 41.113 -11.777 -23.587 1.00 35.28 C ATOM 1054 OE1 GLU A 109 40.860 -11.104 -24.622 1.00 40.38 O ATOM 1055 OE2 GLU A 109 42.015 -11.489 -22.746 1.00 36.27 O ATOM 1056 H GLU A 109 39.774 -14.581 -20.881 1.00 0.00 H ATOM 1057 N VAL A 110 41.142 -17.325 -21.636 1.00 16.23 N ATOM 1058 CA VAL A 110 41.923 -18.539 -21.485 1.00 15.42 C ATOM 1059 C VAL A 110 40.960 -19.733 -21.573 1.00 17.99 C ATOM 1060 O VAL A 110 41.346 -20.837 -21.948 1.00 19.33 O ATOM 1061 CB VAL A 110 42.749 -18.480 -20.149 1.00 16.09 C ATOM 1062 CG1 VAL A 110 43.270 -19.842 -19.703 1.00 16.29 C ATOM 1063 CG2 VAL A 110 43.936 -17.559 -20.315 1.00 16.52 C ATOM 1064 H VAL A 110 40.725 -16.891 -20.788 1.00 0.00 H ATOM 1065 N LEU A 111 39.705 -19.492 -21.249 1.00 18.68 N ATOM 1066 CA LEU A 111 38.675 -20.547 -21.292 1.00 21.32 C ATOM 1067 C LEU A 111 38.377 -21.022 -22.695 1.00 23.97 C ATOM 1068 O LEU A 111 38.568 -20.318 -23.682 1.00 25.38 O ATOM 1069 CB LEU A 111 37.396 -20.064 -20.609 1.00 21.00 C ATOM 1070 CG LEU A 111 37.472 -20.085 -19.082 1.00 21.72 C ATOM 1071 CD1 LEU A 111 36.244 -19.388 -18.535 1.00 22.18 C ATOM 1072 CD2 LEU A 111 37.544 -21.519 -18.530 1.00 23.14 C ATOM 1073 OXT LEU A 111 37.934 -22.149 -22.889 1.00 24.79 O ATOM 1074 H LEU A 111 39.434 -18.532 -20.955 1.00 0.00 H TER 1075 LEU A 111 HETATM 1076 O HOH 1 26.640 -13.209 -16.383 1.00 11.16 O HETATM 1077 O HOH 2 23.517 -15.785 0.214 1.00 15.95 O HETATM 1078 O HOH 3 28.566 -10.643 2.797 1.00 13.00 O HETATM 1079 O HOH 4 31.122 -10.058 1.683 1.00 8.69 O HETATM 1080 O HOH 5 21.629 -5.187 -18.550 1.00 15.28 O HETATM 1081 O HOH 6 28.409 -7.779 2.100 1.00 10.17 O HETATM 1082 O HOH 7 30.089 -4.420 7.898 1.00 16.39 O HETATM 1083 O HOH 8 19.249 0.997 -8.716 1.00 16.21 O HETATM 1084 O HOH 9 31.521 -21.336 5.248 1.00 16.71 O HETATM 1085 O HOH 10 34.169 -5.626 6.842 1.00 16.00 O HETATM 1086 O HOH 11 27.934 -19.174 -4.227 1.00 17.00 O HETATM 1087 O HOH 12 28.780 -22.527 -9.848 1.00 19.51 O HETATM 1088 O HOH 13 32.254 -10.424 -19.995 1.00 25.21 O HETATM 1089 O HOH 14 24.340 -4.838 2.650 1.00 18.15 O HETATM 1090 O HOH 15 45.806 -14.366 -5.326 1.00 28.22 O HETATM 1091 O HOH 16 34.808 -9.036 7.093 1.00 19.24 O HETATM 1092 O HOH 17 23.707 -21.336 -14.398 1.00 25.27 O HETATM 1093 O HOH 18 19.029 -3.102 -15.730 1.00 31.09 O HETATM 1094 O HOH 19 31.052 4.703 -10.490 1.00 18.86 O HETATM 1095 O HOH 20 39.746 -18.677 -0.226 1.00 31.64 O HETATM 1096 O HOH 21 26.606 0.887 -3.299 1.00 22.03 O HETATM 1097 O HOH 22 21.930 -13.636 1.166 1.00 19.45 O HETATM 1098 O HOH 23 31.906 -0.029 -3.873 1.00 19.71 O HETATM 1099 O HOH 24 30.313 -13.754 7.857 1.00 21.20 O HETATM 1100 O HOH 25 40.216 -3.416 -15.709 1.00 19.81 O HETATM 1101 O HOH 26 30.925 -4.139 -18.534 1.00 25.82 O HETATM 1102 O HOH 27 38.019 -2.133 -15.647 1.00 25.53 O HETATM 1103 O HOH 28 43.654 -13.740 -15.570 1.00 21.58 O HETATM 1104 O HOH 29 35.613 -22.634 -15.779 1.00 17.40 O HETATM 1105 O HOH 30 24.277 -21.466 -8.363 1.00 37.11 O HETATM 1106 O HOH 31 23.337 -13.264 9.187 1.00 24.96 O HETATM 1107 O HOH 32 29.472 4.814 -12.678 1.00 32.54 O HETATM 1108 O HOH 33 27.802 -20.493 5.918 1.00 33.16 O HETATM 1109 O HOH 34 29.850 -8.996 8.304 1.00 23.25 O HETATM 1110 O HOH 35 15.189 -8.532 0.576 1.00 23.57 O HETATM 1111 O HOH 36 18.583 -2.361 -6.291 1.00 31.34 O HETATM 1112 O HOH 37 44.053 -6.511 -5.030 1.00 29.30 O HETATM 1113 O HOH 38 46.625 -22.545 -12.424 1.00 22.42 O HETATM 1114 O HOH 39 27.871 -13.148 5.258 1.00 11.14 O HETATM 1115 O HOH 40 23.477 -2.907 -13.728 1.00 27.93 O HETATM 1116 O HOH 41 24.283 -0.294 -14.268 1.00 31.24 O HETATM 1117 O HOH 42 27.629 -20.652 -10.897 1.00 37.37 O HETATM 1118 O HOH 43 17.787 -25.523 -5.287 1.00 35.81 O HETATM 1119 O HOH 44 27.920 -18.158 -14.132 1.00 31.90 O HETATM 1120 O HOH 45 27.618 0.816 -16.648 1.00 34.31 O HETATM 1121 O HOH 46 28.526 -24.807 -11.631 1.00 28.27 O HETATM 1122 O HOH 47 35.033 -17.250 -22.416 1.00 21.34 O HETATM 1123 O HOH 48 30.959 -26.075 -11.159 1.00 39.45 O HETATM 1124 O HOH 49 43.116 0.973 -3.268 1.00 34.31 O HETATM 1125 O HOH 50 28.829 1.104 -4.568 1.00 24.34 O HETATM 1126 O HOH 51 33.680 -6.672 -18.417 1.00 31.96 O HETATM 1127 O HOH 52 26.339 -13.944 8.281 1.00 23.09 O HETATM 1128 O HOH 53 39.416 -23.450 -10.151 1.00 24.89 O HETATM 1129 O HOH 54 43.682 -9.703 -23.936 1.00 27.65 O HETATM 1130 O HOH 55 38.044 -17.709 -24.579 1.00 24.31 O HETATM 1131 O HOH 56 25.907 -2.569 1.707 1.00 29.95 O HETATM 1132 O HOH 57 23.110 -17.046 6.711 1.00 32.08 O HETATM 1133 O HOH 58 17.651 -3.110 -8.600 1.00 38.01 O HETATM 1134 O HOH 59 24.041 -16.955 -2.147 1.00 34.65 O HETATM 1135 O HOH 60 26.863 -16.544 -2.966 1.00 30.12 O HETATM 1136 O HOH 61 19.273 -12.962 -8.639 1.00 25.38 O HETATM 1137 O HOH 62 34.785 -23.820 -12.932 1.00 39.93 O HETATM 1138 O HOH 63 27.560 -22.015 -7.554 1.00 32.68 O HETATM 1139 O HOH 64 42.370 -9.048 -1.083 1.00 22.17 O HETATM 1140 O HOH 65 25.561 -1.254 -16.819 1.00 39.37 O HETATM 1141 O HOH 66 45.429 -8.072 -22.679 1.00 13.40 O HETATM 1142 O HOH 67 11.996 -8.199 -13.710 1.00 23.78 O HETATM 1143 O HOH 68 33.947 -26.378 -12.830 1.00 36.54 O HETATM 1144 O HOH 69 44.169 -5.517 -22.380 1.00 29.46 O HETATM 1145 O HOH 70 30.795 -8.645 -20.660 1.00 27.94 O HETATM 1146 O HOH 71 28.346 -7.820 -20.078 1.00 28.10 O HETATM 1147 O HOH 72 27.026 -5.288 -20.278 1.00 32.97 O HETATM 1148 O HOH 73 28.656 -7.965 -22.629 1.00 35.52 O HETATM 1149 O HOH 74 45.947 -9.854 -6.999 1.00 28.94 O HETATM 1150 O HOH 75 43.841 -4.980 -18.990 1.00 42.16 O HETATM 1151 O HOH 76 31.966 3.788 -6.463 1.00 24.53 O HETATM 1152 O HOH 77 39.021 -4.960 -17.914 1.00 36.10 O HETATM 1153 O HOH 78 31.028 3.561 -3.450 1.00 30.10 O HETATM 1154 O HOH 79 44.586 -15.179 -17.839 1.00 17.29 O HETATM 1155 O HOH 80 20.464 -11.072 -14.603 1.00 27.30 O HETATM 1156 O HOH 81 13.783 -9.784 -10.108 1.00 30.92 O HETATM 1157 O HOH 82 21.588 -0.783 -19.424 1.00 34.40 O HETATM 1158 O HOH 83 27.848 -3.614 0.390 1.00 34.77 O HETATM 1159 O HOH 84 35.401 -0.694 -13.010 1.00 29.48 O HETATM 1160 O HOH 85 37.381 -11.103 -22.134 1.00 22.04 O HETATM 1161 O HOH 86 38.373 -4.643 5.265 1.00 7.79 O HETATM 1162 O HOH 87 36.962 -7.688 9.021 1.00 33.04 O HETATM 1163 O HOH 88 22.901 -3.119 -17.294 1.00 30.02 O HETATM 1164 C32 UNN A 89 20.995 -8.669 -17.367 1.00 0.18 C HETATM 1165 O5 UNN A 89 21.149 -9.741 -16.770 1.00 -0.40 O HETATM 1166 C33 UNN A 89 20.727 -8.665 -18.846 1.00 0.03 C HETATM 1167 H1 UNN A 89 20.619 -7.628 -19.196 1.00 0.05 H HETATM 1168 H2 UNN A 89 19.800 -9.220 -19.052 1.00 0.05 H HETATM 1169 H3 UNN A 89 21.566 -9.144 -19.372 1.00 0.05 H HETATM 1170 N4 UNN A 89 21.070 -7.465 -16.720 1.00 -0.26 N HETATM 1171 C12 UNN A 89 21.523 -7.453 -15.296 1.00 0.14 C HETATM 1172 C13 UNN A 89 22.981 -6.954 -15.166 1.00 0.02 C HETATM 1173 C14 UNN A 89 23.960 -7.750 -16.006 1.00 -0.02 C HETATM 1174 C15 UNN A 89 24.472 -8.989 -15.539 1.00 0.04 C HETATM 1175 CL UNN A 89 24.064 -9.555 -13.965 1.00 -0.08 CL HETATM 1176 C19 UNN A 89 25.381 -9.758 -16.306 1.00 -0.05 C HETATM 1177 C18 UNN A 89 25.712 -9.281 -17.566 1.00 -0.07 C HETATM 1178 C17 UNN A 89 25.197 -8.091 -18.078 1.00 -0.07 C HETATM 1179 C16 UNN A 89 24.297 -7.318 -17.296 1.00 -0.06 C HETATM 1180 H7 UNN A 89 23.875 -6.402 -17.694 1.00 0.06 H HETATM 1181 H6 UNN A 89 25.482 -7.757 -19.069 1.00 0.06 H HETATM 1182 H5 UNN A 89 26.398 -9.857 -18.177 1.00 0.06 H HETATM 1183 H4 UNN A 89 25.801 -10.681 -15.924 1.00 0.06 H HETATM 1184 H8 UNN A 89 23.020 -5.902 -15.485 1.00 0.05 H HETATM 1185 H9 UNN A 89 23.284 -7.029 -14.111 1.00 0.05 H HETATM 1186 C11 UNN A 89 20.640 -6.513 -14.561 1.00 0.19 C HETATM 1187 O4 UNN A 89 20.292 -5.471 -15.064 1.00 -0.40 O HETATM 1188 N5 UNN A 89 20.274 -6.810 -13.272 1.00 -0.31 N HETATM 1189 C30 UNN A 89 20.616 -8.060 -12.567 1.00 0.02 C HETATM 1190 C29 UNN A 89 20.300 -7.725 -11.104 1.00 -0.04 C HETATM 1191 C34 UNN A 89 19.175 -6.716 -11.189 1.00 -0.06 C HETATM 1192 C35 UNN A 89 19.497 -5.861 -12.431 1.00 0.10 C HETATM 1193 C31 UNN A 89 20.374 -4.699 -12.072 1.00 0.17 C HETATM 1194 O3 UNN A 89 21.616 -4.711 -12.036 1.00 -0.38 O HETATM 1195 N3 UNN A 89 19.734 -3.542 -11.777 1.00 -0.23 N HETATM 1196 C27 UNN A 89 18.285 -3.306 -11.912 1.00 0.12 C HETATM 1197 C28 UNN A 89 17.638 -4.243 -12.903 1.00 0.01 C HETATM 1198 C26 UNN A 89 18.234 -5.431 -13.155 1.00 -0.05 C HETATM 1199 H18 UNN A 89 17.796 -6.097 -13.897 1.00 0.05 H HETATM 1200 H19 UNN A 89 16.711 -3.969 -13.404 1.00 0.16 H HETATM 1201 C24 UNN A 89 18.155 -1.821 -12.247 1.00 0.00 C HETATM 1202 C9 UNN A 89 19.378 -1.216 -11.535 1.00 -0.00 C HETATM 1203 C10 UNN A 89 20.460 -2.303 -11.482 1.00 0.14 C HETATM 1204 C20 UNN A 89 21.089 -2.376 -10.114 1.00 0.21 C HETATM 1205 O6 UNN A 89 20.727 -3.225 -9.294 1.00 -0.39 O HETATM 1206 N2 UNN A 89 22.092 -1.486 -9.807 1.00 -0.25 N HETATM 1207 C22 UNN A 89 22.716 -0.527 -10.789 1.00 0.04 C HETATM 1208 C23 UNN A 89 24.105 -0.248 -10.250 1.00 -0.02 C HETATM 1209 C8 UNN A 89 23.819 -0.306 -8.745 1.00 0.02 C HETATM 1210 C21 UNN A 89 22.840 -1.482 -8.556 1.00 0.14 C HETATM 1211 C25 UNN A 89 21.974 -1.259 -7.343 1.00 0.21 C HETATM 1212 O7 UNN A 89 20.750 -0.978 -7.384 1.00 -0.39 O HETATM 1213 N1 UNN A 89 22.611 -1.386 -6.138 1.00 -0.24 N HETATM 1214 C5 UNN A 89 23.996 -1.944 -6.000 1.00 0.06 C HETATM 1215 C6 UNN A 89 25.073 -1.199 -6.711 1.00 -0.07 C HETATM 1216 C7 UNN A 89 25.010 -0.509 -7.873 1.00 -0.09 C HETATM 1217 H32 UNN A 89 25.938 -0.049 -8.210 1.00 0.05 H HETATM 1218 H33 UNN A 89 26.048 -1.212 -6.227 1.00 0.05 H HETATM 1219 C4 UNN A 89 24.305 -1.991 -4.497 1.00 -0.02 C HETATM 1220 C3 UNN A 89 23.031 -1.620 -3.772 1.00 -0.01 C HETATM 1221 C2 UNN A 89 21.963 -1.271 -4.816 1.00 0.10 C HETATM 1222 C1 UNN A 89 21.524 0.130 -4.554 1.00 0.06 C HETATM 1223 O2 UNN A 89 20.506 0.310 -3.807 1.00 -0.57 O HETATM 1224 O1 UNN A 89 22.198 1.057 -5.085 1.00 -0.57 O HETATM 1225 H39 UNN A 89 21.105 -1.956 -4.750 1.00 0.07 H HETATM 1226 H37 UNN A 89 23.213 -0.751 -3.122 1.00 0.03 H HETATM 1227 H38 UNN A 89 22.690 -2.469 -3.162 1.00 0.03 H HETATM 1228 H35 UNN A 89 25.102 -1.273 -4.252 1.00 0.03 H HETATM 1229 H36 UNN A 89 24.623 -3.004 -4.208 1.00 0.03 H HETATM 1230 H34 UNN A 89 23.988 -2.969 -6.399 1.00 0.07 H HETATM 1231 H31 UNN A 89 23.384 -2.430 -8.434 1.00 0.08 H HETATM 1232 H30 UNN A 89 23.336 0.635 -8.443 1.00 0.05 H HETATM 1233 H28 UNN A 89 24.472 0.742 -10.559 1.00 0.03 H HETATM 1234 H29 UNN A 89 24.826 -1.019 -10.559 1.00 0.03 H HETATM 1235 H26 UNN A 89 22.131 0.403 -10.844 1.00 0.05 H HETATM 1236 H27 UNN A 89 22.775 -0.983 -11.788 1.00 0.05 H HETATM 1237 H25 UNN A 89 21.239 -2.115 -12.235 1.00 0.08 H HETATM 1238 H23 UNN A 89 19.105 -0.907 -10.515 1.00 0.03 H HETATM 1239 H24 UNN A 89 19.747 -0.345 -12.096 1.00 0.03 H HETATM 1240 H21 UNN A 89 17.217 -1.404 -11.851 1.00 0.03 H HETATM 1241 H22 UNN A 89 18.202 -1.652 -13.333 1.00 0.03 H HETATM 1242 H20 UNN A 89 17.803 -3.485 -10.940 1.00 0.10 H HETATM 1243 H16 UNN A 89 19.148 -6.090 -10.285 1.00 0.01 H HETATM 1244 H17 UNN A 89 18.208 -7.225 -11.311 1.00 0.01 H HETATM 1245 H14 UNN A 89 21.178 -7.289 -10.605 1.00 0.03 H HETATM 1246 H15 UNN A 89 19.977 -8.624 -10.559 1.00 0.03 H HETATM 1247 H12 UNN A 89 21.680 -8.309 -12.695 1.00 0.05 H HETATM 1248 H13 UNN A 89 19.998 -8.897 -12.924 1.00 0.05 H HETATM 1249 H10 UNN A 89 21.442 -8.465 -14.872 1.00 0.08 H HETATM 1250 H11 UNN A 89 20.828 -6.615 -17.188 1.00 0.19 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1164 1165 1166 1170 CONECT 1165 1164 CONECT 1166 1164 1167 1168 1169 CONECT 1167 1166 CONECT 1168 1166 CONECT 1169 1166 CONECT 1170 1164 1171 1250 CONECT 1171 1170 1172 1186 1249 CONECT 1172 1171 1173 1184 1185 CONECT 1173 1172 1174 1179 CONECT 1174 1173 1175 1176 CONECT 1175 1174 CONECT 1176 1174 1177 1183 CONECT 1177 1176 1178 1182 CONECT 1178 1177 1179 1181 CONECT 1179 1173 1178 1180 CONECT 1180 1179 CONECT 1181 1178 CONECT 1182 1177 CONECT 1183 1176 CONECT 1184 1172 CONECT 1185 1172 CONECT 1186 1171 1187 1188 CONECT 1187 1186 CONECT 1188 1186 1189 1192 CONECT 1189 1188 1190 1247 1248 CONECT 1190 1189 1191 1245 1246 CONECT 1191 1190 1192 1243 1244 CONECT 1192 1188 1191 1193 1198 CONECT 1193 1192 1194 1195 CONECT 1194 1193 CONECT 1195 1193 1196 1203 CONECT 1196 1195 1197 1201 1242 CONECT 1197 1196 1198 1200 CONECT 1198 1192 1197 1199 CONECT 1199 1198 CONECT 1200 1197 CONECT 1201 1196 1202 1240 1241 CONECT 1202 1201 1203 1238 1239 CONECT 1203 1195 1202 1204 1237 CONECT 1204 1203 1205 1206 CONECT 1205 1204 CONECT 1206 1204 1207 1210 CONECT 1207 1206 1208 1235 1236 CONECT 1208 1207 1209 1233 1234 CONECT 1209 1208 1210 1216 1232 CONECT 1210 1206 1209 1211 1231 CONECT 1211 1210 1212 1213 CONECT 1212 1211 CONECT 1213 1211 1214 1221 CONECT 1214 1213 1215 1219 1230 CONECT 1215 1214 1216 1218 CONECT 1216 1209 1215 1217 CONECT 1217 1216 CONECT 1218 1215 CONECT 1219 1214 1220 1228 1229 CONECT 1220 1219 1221 1226 1227 CONECT 1221 1213 1220 1222 1225 CONECT 1222 1221 1223 1224 CONECT 1223 1222 CONECT 1224 1222 CONECT 1225 1221 CONECT 1226 1220 CONECT 1227 1220 CONECT 1228 1219 CONECT 1229 1219 CONECT 1230 1214 CONECT 1231 1210 CONECT 1232 1209 CONECT 1233 1208 CONECT 1234 1208 CONECT 1235 1207 CONECT 1236 1207 CONECT 1237 1203 CONECT 1238 1202 CONECT 1239 1202 CONECT 1240 1201 CONECT 1241 1201 CONECT 1242 1196 CONECT 1243 1191 CONECT 1244 1191 CONECT 1245 1190 CONECT 1246 1190 CONECT 1247 1189 CONECT 1248 1189 CONECT 1249 1171 CONECT 1250 1170 MASTER 0 0 0 0 0 0 0 0 1249 1 91 9 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 4my6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1evh
RCSB PDB
PDBbind
112aa, >1EVH_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4my6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein enabled homolog, EnaH EVH1-domain
Ligand Name
3VH
EC.Number
E.C.-.-.-.-
Resolution
1.7(Å)
Affinity (Kd/Ki/IC50)
Kd=2.4uM
Release Year
2014
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Proc.Natl.Acad.Sci.USA Vol. 112: pp. 5011-5016
Ligand Properties
Formula
C
3
5
H
4
0
ClN
5
O
7
Molecular Weight
678.174
Exact Mass
677.262
No. of atoms
88
No. of bonds
94
Polar Surface Area
147.64
LOGP Value
3.26 (
Computed with XLOGP3
)
2.05 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 7
Canonical SMILES
CC(=O)N[C@H](C(=O)N1CCC[C@@]21C=C[C@H]1N(C2=O)[C@@H](CC1)C(=O)N1CC[C@H]2[C@H]1C(=O)N1[C@@H](C=C2)CC[C@H]1C(=O)O)Cc1ccccc1Cl
InChI String
InChI=1S/C35H40ClN5O7/c1-20(42)37-26(19-22-5-2-3-6-25(22)36)30(43)39-17-4-15-35(39)16-13-24-9-11-27(41(24)34(35)48)31(44)38-18-14-21-7-8-23-10-12-28(33(46)47)40(23)32(45)29(21)38/h2-3,5-8,13,16,21,23-24,26-29H,4,9-12,14-15,17-19H2,1H3,(H,37,42)(H,46,47)/t21-,23-,24-,26-,27-,28-,29-,35+/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
Q8N8S7
Entrez Gene ID
NCBI Entrez Gene ID:
55740
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝ｅ湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com
times since Nov 2007. 
娌叕缃戝畨澶囷細姝ｅ湪鐢宠涓