Browse entries in the PDBbind-CN Database
HEADER 6A9C_COMPLEX COMPND 6A9C_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 59 MET SER LYS LEU PRO GLN VAL LYS ALA LEU TYR PRO TYR SEQRES 2 A 59 THR ALA ALA ASN ASP GLU GLU LEU SER PHE LYS VAL GLY SEQRES 3 A 59 ASP ILE ILE THR ILE LEU GLU LYS ASP GLU GLY TRP TRP SEQRES 4 A 59 LYS GLY GLU LEU ASN GLY GLN GLU GLY TRP ILE PRO ASN SEQRES 5 A 59 ASN TYR VAL LYS GLU ILE LEU SEQRES 1 B 66 MET SER LYS LEU PRO GLN VAL LYS ALA LEU TYR PRO TYR SEQRES 2 B 66 THR ALA ALA ASN ASP GLU GLU LEU SER PHE LYS VAL GLY SEQRES 3 B 66 ASP ILE ILE THR ILE LEU GLU LYS ASP GLU GLY TRP TRP SEQRES 4 B 66 LYS GLY GLU LEU ASN GLY GLN GLU GLY TRP ILE PRO ASN SEQRES 5 B 66 ASN TYR VAL LYS GLU ILE LEU GLU HIS HIS HIS HIS HIS SEQRES 6 B 66 HIS HET LYS A 180 153 ATOM 1 N MET A -1 18.829 -3.034 -2.521 1.00 53.22 N ATOM 2 CA MET A -1 19.984 -3.592 -1.788 1.00 53.80 C ATOM 3 C MET A -1 20.395 -2.881 -0.509 1.00 46.19 C ATOM 4 O MET A -1 21.094 -3.489 0.251 1.00 51.50 O ATOM 5 CB MET A -1 21.175 -3.911 -2.686 1.00 50.25 C ATOM 6 HN3 MET A -1 19.037 -2.054 -2.799 1.00 0.00 H ATOM 7 HN2 MET A -1 17.989 -3.051 -1.907 1.00 0.00 H ATOM 8 HN1 MET A -1 18.650 -3.606 -3.371 1.00 0.00 H ATOM 9 N SER A 0 19.928 -1.673 -0.190 1.00 44.19 N ATOM 10 CA SER A 0 19.937 -1.263 1.257 1.00 49.70 C ATOM 11 C SER A 0 18.755 -1.935 1.986 1.00 47.62 C ATOM 12 O SER A 0 17.664 -1.975 1.466 1.00 37.71 O ATOM 13 CB SER A 0 19.838 0.250 1.430 1.00 51.24 C ATOM 14 OG SER A 0 20.967 0.861 0.864 1.00 56.90 O ATOM 15 HG SER A 0 20.901 1.842 0.977 1.00 0.00 H ATOM 16 H SER A 0 19.567 -1.031 -0.924 1.00 0.00 H ATOM 17 N LYS A 1 18.971 -2.473 3.178 1.00 46.45 N ATOM 18 CA LYS A 1 17.874 -2.981 3.996 1.00 46.23 C ATOM 19 C LYS A 1 17.313 -1.785 4.791 1.00 41.19 C ATOM 20 O LYS A 1 18.041 -0.992 5.310 1.00 52.27 O ATOM 21 CB LYS A 1 18.346 -4.100 4.964 1.00 53.50 C ATOM 22 CG LYS A 1 17.238 -4.808 5.760 1.00 65.64 C ATOM 23 CD LYS A 1 16.340 -5.652 4.838 1.00 73.68 C ATOM 24 CE LYS A 1 15.050 -6.215 5.444 1.00 75.29 C ATOM 25 NZ LYS A 1 14.089 -5.167 5.876 1.00 67.30 N ATOM 26 HZ1 LYS A 1 14.535 -4.565 6.598 1.00 0.00 H ATOM 27 HZ2 LYS A 1 13.820 -4.586 5.056 1.00 0.00 H ATOM 28 HZ3 LYS A 1 13.242 -5.619 6.275 1.00 0.00 H ATOM 29 H LYS A 1 19.944 -2.535 3.539 1.00 0.00 H ATOM 30 N LEU A 2 16.012 -1.654 4.841 1.00 40.83 N ATOM 31 CA LEU A 2 15.365 -0.682 5.714 1.00 42.79 C ATOM 32 C LEU A 2 14.869 -1.384 6.956 1.00 39.89 C ATOM 33 O LEU A 2 14.324 -2.481 6.834 1.00 39.37 O ATOM 34 CB LEU A 2 14.158 -0.055 4.980 1.00 39.82 C ATOM 35 CG LEU A 2 14.634 0.920 3.888 1.00 43.63 C ATOM 36 CD1 LEU A 2 13.495 1.244 2.948 1.00 45.03 C ATOM 37 CD2 LEU A 2 15.284 2.198 4.415 1.00 43.72 C ATOM 38 H LEU A 2 15.421 -2.262 4.239 1.00 0.00 H ATOM 39 N PRO A 3 14.911 -0.719 8.139 1.00 38.49 N ATOM 40 CA PRO A 3 14.232 -1.362 9.265 1.00 37.08 C ATOM 41 C PRO A 3 12.780 -1.546 9.015 1.00 45.06 C ATOM 42 O PRO A 3 12.137 -0.721 8.298 1.00 41.32 O ATOM 43 CB PRO A 3 14.436 -0.375 10.455 1.00 41.57 C ATOM 44 CG PRO A 3 15.392 0.695 9.979 1.00 41.24 C ATOM 45 CD PRO A 3 15.510 0.588 8.474 1.00 37.69 C ATOM 46 N GLN A 4 12.259 -2.638 9.547 1.00 38.08 N ATOM 47 CA GLN A 4 10.841 -2.903 9.517 1.00 40.14 C ATOM 48 C GLN A 4 10.375 -3.164 10.926 1.00 48.98 C ATOM 49 O GLN A 4 11.153 -3.654 11.756 1.00 50.54 O ATOM 50 CB GLN A 4 10.515 -4.067 8.656 1.00 43.34 C ATOM 51 CG GLN A 4 10.766 -3.761 7.196 1.00 47.02 C ATOM 52 CD GLN A 4 10.338 -4.889 6.358 1.00 44.29 C ATOM 53 OE1 GLN A 4 10.985 -5.891 6.337 1.00 55.23 O ATOM 54 NE2 GLN A 4 9.234 -4.756 5.671 1.00 53.50 N ATOM 55 HE22 GLN A 4 8.698 -3.866 5.716 1.00 0.00 H ATOM 56 HE21 GLN A 4 8.892 -5.540 5.080 1.00 0.00 H ATOM 57 H GLN A 4 12.891 -3.328 10.001 1.00 0.00 H ATOM 58 N VAL A 5 9.116 -2.849 11.214 1.00 40.40 N ATOM 59 CA VAL A 5 8.647 -2.848 12.592 1.00 38.78 C ATOM 60 C VAL A 5 7.246 -3.389 12.535 1.00 42.47 C ATOM 61 O VAL A 5 6.616 -3.348 11.492 1.00 37.06 O ATOM 62 CB VAL A 5 8.667 -1.452 13.263 1.00 39.87 C ATOM 63 CG1 VAL A 5 10.065 -0.857 13.307 1.00 36.14 C ATOM 64 CG2 VAL A 5 7.655 -0.498 12.644 1.00 36.26 C ATOM 65 H VAL A 5 8.459 -2.601 10.447 1.00 0.00 H ATOM 66 N LYS A 6 6.770 -3.929 13.652 1.00 36.91 N ATOM 67 CA LYS A 6 5.410 -4.451 13.755 1.00 39.85 C ATOM 68 C LYS A 6 4.660 -3.641 14.790 1.00 36.21 C ATOM 69 O LYS A 6 5.172 -3.422 15.884 1.00 43.79 O ATOM 70 CB LYS A 6 5.480 -5.918 14.179 1.00 44.75 C ATOM 71 CG LYS A 6 4.181 -6.670 14.148 1.00 54.56 C ATOM 72 CD LYS A 6 4.500 -8.175 14.200 1.00 69.59 C ATOM 73 CE LYS A 6 3.271 -9.063 14.120 1.00 73.83 C ATOM 74 NZ LYS A 6 2.539 -9.019 15.416 1.00 75.66 N ATOM 75 HZ1 LYS A 6 3.162 -9.358 16.176 1.00 0.00 H ATOM 76 HZ2 LYS A 6 2.247 -8.041 15.615 1.00 0.00 H ATOM 77 HZ3 LYS A 6 1.698 -9.628 15.359 1.00 0.00 H ATOM 78 H LYS A 6 7.390 -3.982 14.485 1.00 0.00 H ATOM 79 N ALA A 7 3.423 -3.258 14.514 1.00 37.93 N ATOM 80 CA ALA A 7 2.718 -2.491 15.513 1.00 38.69 C ATOM 81 C ALA A 7 2.295 -3.380 16.702 1.00 41.66 C ATOM 82 O ALA A 7 1.743 -4.422 16.495 1.00 42.18 O ATOM 83 CB ALA A 7 1.496 -1.864 14.934 1.00 39.34 C ATOM 84 H ALA A 7 2.974 -3.502 13.608 1.00 0.00 H ATOM 85 N LEU A 8 2.519 -2.878 17.906 1.00 38.90 N ATOM 86 CA LEU A 8 2.030 -3.434 19.172 1.00 38.85 C ATOM 87 C LEU A 8 0.604 -2.993 19.455 1.00 41.48 C ATOM 88 O LEU A 8 -0.162 -3.742 20.005 1.00 43.52 O ATOM 89 CB LEU A 8 2.925 -2.945 20.277 1.00 39.22 C ATOM 90 CG LEU A 8 4.382 -3.294 20.064 1.00 42.83 C ATOM 91 CD1 LEU A 8 5.255 -2.666 21.135 1.00 42.73 C ATOM 92 CD2 LEU A 8 4.585 -4.815 19.985 1.00 45.91 C ATOM 93 H LEU A 8 3.093 -2.012 17.959 1.00 0.00 H ATOM 94 N TYR A 9 0.219 -1.780 19.032 1.00 37.11 N ATOM 95 CA TYR A 9 -1.085 -1.164 19.326 1.00 37.54 C ATOM 96 C TYR A 9 -1.612 -0.445 18.096 1.00 40.15 C ATOM 97 O TYR A 9 -0.815 -0.102 17.226 1.00 37.37 O ATOM 98 CB TYR A 9 -0.930 -0.094 20.411 1.00 38.79 C ATOM 99 CG TYR A 9 -0.036 -0.477 21.547 1.00 37.07 C ATOM 100 CD1 TYR A 9 -0.454 -1.419 22.526 1.00 38.99 C ATOM 101 CD2 TYR A 9 1.205 0.118 21.696 1.00 32.02 C ATOM 102 CE1 TYR A 9 0.397 -1.772 23.583 1.00 39.09 C ATOM 103 CE2 TYR A 9 2.030 -0.200 22.723 1.00 36.19 C ATOM 104 CZ TYR A 9 1.658 -1.179 23.652 1.00 36.68 C ATOM 105 OH TYR A 9 2.542 -1.488 24.626 1.00 36.39 O ATOM 106 HH TYR A 9 2.157 -2.189 25.210 1.00 0.00 H ATOM 107 H TYR A 9 0.891 -1.235 18.454 1.00 0.00 H ATOM 108 N PRO A 10 -2.930 -0.226 18.009 1.00 40.12 N ATOM 109 CA PRO A 10 -3.382 0.646 16.923 1.00 41.53 C ATOM 110 C PRO A 10 -2.990 2.116 17.217 1.00 39.81 C ATOM 111 O PRO A 10 -2.854 2.525 18.382 1.00 34.65 O ATOM 112 CB PRO A 10 -4.906 0.450 16.922 1.00 43.41 C ATOM 113 CG PRO A 10 -5.228 0.164 18.367 1.00 42.50 C ATOM 114 CD PRO A 10 -4.016 -0.493 18.977 1.00 41.13 C ATOM 115 N TYR A 11 -2.751 2.881 16.156 1.00 35.34 N ATOM 116 CA TYR A 11 -2.541 4.319 16.284 1.00 31.99 C ATOM 117 C TYR A 11 -3.424 5.053 15.263 1.00 32.21 C ATOM 118 O TYR A 11 -3.554 4.638 14.126 1.00 29.64 O ATOM 119 CB TYR A 11 -1.055 4.624 16.142 1.00 30.97 C ATOM 120 CG TYR A 11 -0.768 6.073 16.345 1.00 32.06 C ATOM 121 CD1 TYR A 11 -0.977 6.644 17.587 1.00 31.80 C ATOM 122 CD2 TYR A 11 -0.313 6.886 15.293 1.00 33.32 C ATOM 123 CE1 TYR A 11 -0.801 7.976 17.788 1.00 36.40 C ATOM 124 CE2 TYR A 11 -0.102 8.250 15.504 1.00 32.85 C ATOM 125 CZ TYR A 11 -0.332 8.784 16.779 1.00 36.74 C ATOM 126 OH TYR A 11 -0.161 10.141 17.090 1.00 32.75 O ATOM 127 HH TYR A 11 -0.762 10.687 16.524 1.00 0.00 H ATOM 128 H TYR A 11 -2.713 2.444 15.213 1.00 0.00 H ATOM 129 N THR A 12 -4.051 6.106 15.697 1.00 30.31 N ATOM 130 CA THR A 12 -4.757 7.022 14.787 1.00 35.06 C ATOM 131 C THR A 12 -3.926 8.332 14.676 1.00 32.48 C ATOM 132 O THR A 12 -3.621 8.944 15.671 1.00 28.06 O ATOM 133 CB THR A 12 -6.109 7.402 15.360 1.00 38.69 C ATOM 134 OG1 THR A 12 -6.856 6.199 15.561 1.00 35.82 O ATOM 135 CG2 THR A 12 -6.862 8.355 14.421 1.00 39.33 C ATOM 136 HG1 THR A 12 -7.745 6.422 15.936 1.00 0.00 H ATOM 137 H THR A 12 -4.054 6.307 16.717 1.00 0.00 H ATOM 138 N ALA A 13 -3.505 8.656 13.461 1.00 31.28 N ATOM 139 CA ALA A 13 -2.768 9.883 13.159 1.00 29.12 C ATOM 140 C ALA A 13 -3.473 11.111 13.758 1.00 31.72 C ATOM 141 O ALA A 13 -4.644 11.315 13.517 1.00 26.57 O ATOM 142 CB ALA A 13 -2.678 10.030 11.657 1.00 32.09 C ATOM 143 H ALA A 13 -3.710 8.001 12.679 1.00 0.00 H ATOM 144 N ALA A 14 -2.729 11.928 14.499 1.00 32.98 N ATOM 145 CA ALA A 14 -3.288 13.190 15.039 1.00 30.38 C ATOM 146 C ALA A 14 -3.276 14.332 14.100 1.00 30.96 C ATOM 147 O ALA A 14 -3.966 15.331 14.322 1.00 30.40 O ATOM 148 CB ALA A 14 -2.584 13.564 16.335 1.00 33.71 C ATOM 149 H ALA A 14 -1.740 11.677 14.702 1.00 0.00 H ATOM 150 N ASN A 15 -2.577 14.209 12.964 1.00 28.94 N ATOM 151 CA ASN A 15 -2.552 15.265 11.997 1.00 28.12 C ATOM 152 C ASN A 15 -2.113 14.616 10.685 1.00 31.18 C ATOM 153 O ASN A 15 -1.882 13.426 10.631 1.00 29.74 O ATOM 154 CB ASN A 15 -1.564 16.360 12.474 1.00 28.03 C ATOM 155 CG ASN A 15 -0.197 15.789 12.820 1.00 27.69 C ATOM 156 OD1 ASN A 15 0.489 15.253 11.963 1.00 27.69 O ATOM 157 ND2 ASN A 15 0.189 15.846 14.063 1.00 27.43 N ATOM 158 HD22 ASN A 15 -0.413 16.308 14.774 1.00 0.00 H ATOM 159 HD21 ASN A 15 1.099 15.430 14.344 1.00 0.00 H ATOM 160 H ASN A 15 -2.045 13.334 12.782 1.00 0.00 H ATOM 161 N ASP A 16 -2.005 15.414 9.644 1.00 30.92 N ATOM 162 CA ASP A 16 -1.715 14.925 8.288 1.00 30.51 C ATOM 163 C ASP A 16 -0.302 14.393 8.083 1.00 27.58 C ATOM 164 O ASP A 16 -0.104 13.650 7.154 1.00 27.20 O ATOM 165 CB ASP A 16 -1.969 16.039 7.233 1.00 34.97 C ATOM 166 CG ASP A 16 -3.442 16.529 7.210 1.00 39.67 C ATOM 167 OD1 ASP A 16 -4.360 15.714 7.312 1.00 39.84 O ATOM 168 OD2 ASP A 16 -3.715 17.753 7.058 1.00 35.89 O ATOM 169 H ASP A 16 -2.130 16.436 9.787 1.00 0.00 H ATOM 170 N GLU A 17 0.639 14.729 8.957 1.00 24.50 N ATOM 171 CA GLU A 17 2.019 14.229 8.862 1.00 24.74 C ATOM 172 C GLU A 17 2.201 12.849 9.502 1.00 27.89 C ATOM 173 O GLU A 17 3.277 12.240 9.326 1.00 26.91 O ATOM 174 CB GLU A 17 3.016 15.145 9.485 1.00 23.28 C ATOM 175 CG GLU A 17 2.851 16.594 9.100 1.00 27.94 C ATOM 176 CD GLU A 17 3.156 16.908 7.692 1.00 35.23 C ATOM 177 OE1 GLU A 17 3.677 16.027 6.924 1.00 33.05 O ATOM 178 OE2 GLU A 17 2.894 18.088 7.377 1.00 45.97 O ATOM 179 H GLU A 17 0.391 15.370 9.738 1.00 0.00 H ATOM 180 N GLU A 18 1.194 12.401 10.260 1.00 27.19 N ATOM 181 CA GLU A 18 1.312 11.096 10.944 1.00 28.13 C ATOM 182 C GLU A 18 0.652 9.996 10.152 1.00 25.54 C ATOM 183 O GLU A 18 -0.120 10.278 9.272 1.00 27.43 O ATOM 184 CB GLU A 18 0.770 11.175 12.393 1.00 25.46 C ATOM 185 CG GLU A 18 1.627 12.126 13.201 1.00 25.81 C ATOM 186 CD GLU A 18 1.123 12.358 14.615 1.00 32.85 C ATOM 187 OE1 GLU A 18 0.164 11.645 15.021 1.00 29.40 O ATOM 188 OE2 GLU A 18 1.690 13.253 15.310 1.00 27.39 O ATOM 189 H GLU A 18 0.330 12.970 10.368 1.00 0.00 H ATOM 190 N LEU A 19 1.045 8.750 10.454 1.00 23.89 N ATOM 191 CA LEU A 19 0.519 7.564 9.804 1.00 25.33 C ATOM 192 C LEU A 19 -0.302 6.730 10.785 1.00 26.10 C ATOM 193 O LEU A 19 0.215 6.374 11.860 1.00 26.55 O ATOM 194 CB LEU A 19 1.696 6.763 9.316 1.00 24.26 C ATOM 195 CG LEU A 19 1.490 5.427 8.697 1.00 25.85 C ATOM 196 CD1 LEU A 19 0.821 5.606 7.368 1.00 27.59 C ATOM 197 CD2 LEU A 19 2.818 4.738 8.543 1.00 27.71 C ATOM 198 H LEU A 19 1.766 8.627 11.194 1.00 0.00 H ATOM 199 N SER A 20 -1.537 6.426 10.412 1.00 26.12 N ATOM 200 CA SER A 20 -2.385 5.546 11.187 1.00 29.20 C ATOM 201 C SER A 20 -2.021 4.122 10.890 1.00 32.19 C ATOM 202 O SER A 20 -1.459 3.825 9.835 1.00 29.27 O ATOM 203 CB SER A 20 -3.828 5.814 10.812 1.00 31.09 C ATOM 204 OG SER A 20 -4.197 7.114 11.250 1.00 29.90 O ATOM 205 HG SER A 20 -5.140 7.288 11.005 1.00 0.00 H ATOM 206 H SER A 20 -1.910 6.834 9.531 1.00 0.00 H ATOM 207 N PHE A 21 -2.290 3.248 11.831 1.00 32.17 N ATOM 208 CA PHE A 21 -1.980 1.831 11.649 1.00 32.40 C ATOM 209 C PHE A 21 -2.752 0.967 12.649 1.00 37.44 C ATOM 210 O PHE A 21 -3.312 1.483 13.641 1.00 29.41 O ATOM 211 CB PHE A 21 -0.463 1.530 11.662 1.00 32.30 C ATOM 212 CG PHE A 21 0.284 2.031 12.904 1.00 34.25 C ATOM 213 CD1 PHE A 21 0.314 1.262 14.104 1.00 34.99 C ATOM 214 CD2 PHE A 21 0.977 3.238 12.879 1.00 31.32 C ATOM 215 CE1 PHE A 21 1.005 1.710 15.221 1.00 34.29 C ATOM 216 CE2 PHE A 21 1.648 3.711 14.017 1.00 35.88 C ATOM 217 CZ PHE A 21 1.662 2.950 15.196 1.00 36.54 C ATOM 218 H PHE A 21 -2.729 3.567 12.718 1.00 0.00 H ATOM 219 N LYS A 22 -2.776 -0.343 12.380 1.00 38.65 N ATOM 220 CA LYS A 22 -3.490 -1.320 13.246 1.00 44.07 C ATOM 221 C LYS A 22 -2.494 -2.295 13.835 1.00 41.27 C ATOM 222 O LYS A 22 -1.381 -2.409 13.375 1.00 36.43 O ATOM 223 CB LYS A 22 -4.559 -2.124 12.484 1.00 49.00 C ATOM 224 CG LYS A 22 -5.761 -1.311 12.028 1.00 56.49 C ATOM 225 CD LYS A 22 -6.879 -2.221 11.516 1.00 64.37 C ATOM 226 CE LYS A 22 -6.606 -2.714 10.100 1.00 70.93 C ATOM 227 NZ LYS A 22 -7.016 -1.725 9.046 1.00 76.27 N ATOM 228 HZ1 LYS A 22 -8.036 -1.538 9.125 1.00 0.00 H ATOM 229 HZ2 LYS A 22 -6.489 -0.839 9.180 1.00 0.00 H ATOM 230 HZ3 LYS A 22 -6.806 -2.116 8.105 1.00 0.00 H ATOM 231 H LYS A 22 -2.278 -0.691 11.536 1.00 0.00 H ATOM 232 N VAL A 23 -2.923 -3.024 14.868 1.00 42.30 N ATOM 233 CA VAL A 23 -2.040 -4.008 15.511 1.00 40.87 C ATOM 234 C VAL A 23 -1.678 -5.018 14.434 1.00 37.68 C ATOM 235 O VAL A 23 -2.513 -5.328 13.605 1.00 40.96 O ATOM 236 CB VAL A 23 -2.760 -4.741 16.655 1.00 47.25 C ATOM 237 CG1 VAL A 23 -1.894 -5.874 17.186 1.00 45.79 C ATOM 238 CG2 VAL A 23 -3.138 -3.765 17.750 1.00 49.87 C ATOM 239 H VAL A 23 -3.892 -2.894 15.222 1.00 0.00 H ATOM 240 N GLY A 24 -0.433 -5.458 14.416 1.00 40.93 N ATOM 241 CA GLY A 24 0.039 -6.381 13.454 1.00 42.50 C ATOM 242 C GLY A 24 0.675 -5.802 12.207 1.00 48.82 C ATOM 243 O GLY A 24 1.462 -6.509 11.601 1.00 47.87 O ATOM 244 H GLY A 24 0.228 -5.111 15.140 1.00 0.00 H ATOM 245 N ASP A 25 0.394 -4.534 11.842 1.00 46.49 N ATOM 246 CA ASP A 25 0.872 -3.930 10.573 1.00 39.53 C ATOM 247 C ASP A 25 2.374 -3.878 10.624 1.00 37.50 C ATOM 248 O ASP A 25 2.940 -3.611 11.691 1.00 36.49 O ATOM 249 CB ASP A 25 0.296 -2.516 10.393 1.00 45.07 C ATOM 250 CG ASP A 25 -1.158 -2.515 9.913 1.00 48.80 C ATOM 251 OD1 ASP A 25 -1.550 -3.594 9.436 1.00 50.27 O ATOM 252 OD2 ASP A 25 -1.913 -1.462 10.026 1.00 42.49 O ATOM 253 H ASP A 25 -0.185 -3.952 12.480 1.00 0.00 H ATOM 254 N ILE A 26 3.017 -4.243 9.498 1.00 33.83 N ATOM 255 CA ILE A 26 4.464 -4.244 9.342 1.00 40.08 C ATOM 256 C ILE A 26 4.794 -2.956 8.579 1.00 38.29 C ATOM 257 O ILE A 26 4.435 -2.858 7.420 1.00 40.54 O ATOM 258 CB ILE A 26 5.033 -5.420 8.459 1.00 41.64 C ATOM 259 CG1 ILE A 26 4.969 -6.778 9.184 1.00 54.25 C ATOM 260 CG2 ILE A 26 6.542 -5.182 8.223 1.00 40.29 C ATOM 261 CD1 ILE A 26 3.592 -7.247 9.572 1.00 54.36 C ATOM 262 H ILE A 26 2.441 -4.544 8.686 1.00 0.00 H ATOM 263 N ILE A 27 5.580 -2.080 9.178 1.00 41.88 N ATOM 264 CA ILE A 27 5.843 -0.767 8.649 1.00 36.54 C ATOM 265 C ILE A 27 7.303 -0.677 8.386 1.00 38.74 C ATOM 266 O ILE A 27 8.123 -1.063 9.201 1.00 37.63 O ATOM 267 CB ILE A 27 5.404 0.283 9.687 1.00 37.53 C ATOM 268 CG1 ILE A 27 3.924 0.101 10.002 1.00 41.75 C ATOM 269 CG2 ILE A 27 5.646 1.707 9.220 1.00 35.49 C ATOM 270 CD1 ILE A 27 3.482 0.633 11.355 1.00 44.75 C ATOM 271 H ILE A 27 6.031 -2.352 10.075 1.00 0.00 H ATOM 272 N THR A 28 7.651 -0.113 7.239 1.00 33.58 N ATOM 273 CA THR A 28 9.015 0.162 6.897 1.00 31.08 C ATOM 274 C THR A 28 9.406 1.568 7.320 1.00 37.09 C ATOM 275 O THR A 28 8.646 2.556 7.064 1.00 33.16 O ATOM 276 CB THR A 28 9.196 0.026 5.359 1.00 33.37 C ATOM 277 OG1 THR A 28 8.710 -1.256 4.998 1.00 34.64 O ATOM 278 CG2 THR A 28 10.609 0.142 4.977 1.00 36.23 C ATOM 279 HG1 THR A 28 8.808 -1.382 4.021 1.00 0.00 H ATOM 280 H THR A 28 6.905 0.140 6.560 1.00 0.00 H ATOM 281 N ILE A 29 10.599 1.682 7.881 1.00 30.44 N ATOM 282 CA ILE A 29 11.061 2.924 8.436 1.00 38.21 C ATOM 283 C ILE A 29 12.034 3.553 7.523 1.00 38.73 C ATOM 284 O ILE A 29 12.984 2.907 7.119 1.00 41.26 O ATOM 285 CB ILE A 29 11.714 2.699 9.797 1.00 37.23 C ATOM 286 CG1 ILE A 29 10.781 1.878 10.708 1.00 35.65 C ATOM 287 CG2 ILE A 29 12.157 4.013 10.413 1.00 39.21 C ATOM 288 CD1 ILE A 29 9.435 2.505 10.998 1.00 39.00 C ATOM 289 H ILE A 29 11.220 0.849 7.921 1.00 0.00 H ATOM 290 N LEU A 30 11.800 4.830 7.220 1.00 40.46 N ATOM 291 CA LEU A 30 12.587 5.599 6.233 1.00 35.97 C ATOM 292 C LEU A 30 13.466 6.617 6.856 1.00 38.27 C ATOM 293 O LEU A 30 14.439 6.982 6.272 1.00 40.77 O ATOM 294 CB LEU A 30 11.637 6.327 5.276 1.00 42.95 C ATOM 295 CG LEU A 30 10.556 5.457 4.614 1.00 46.84 C ATOM 296 CD1 LEU A 30 9.529 6.242 3.785 1.00 49.66 C ATOM 297 CD2 LEU A 30 11.215 4.425 3.730 1.00 51.92 C ATOM 298 H LEU A 30 11.018 5.313 7.706 1.00 0.00 H ATOM 299 N GLU A 31 13.163 7.078 8.064 1.00 31.63 N ATOM 300 CA GLU A 31 13.893 8.117 8.702 1.00 34.87 C ATOM 301 C GLU A 31 13.492 8.086 10.179 1.00 31.94 C ATOM 302 O GLU A 31 12.441 7.534 10.493 1.00 34.91 O ATOM 303 CB GLU A 31 13.466 9.429 8.068 1.00 41.38 C ATOM 304 CG GLU A 31 14.427 10.551 8.282 1.00 49.50 C ATOM 305 CD GLU A 31 13.943 11.824 7.600 1.00 54.76 C ATOM 306 OE1 GLU A 31 13.108 11.769 6.639 1.00 47.58 O ATOM 307 OE2 GLU A 31 14.419 12.872 8.057 1.00 64.66 O ATOM 308 H GLU A 31 12.354 6.659 8.566 1.00 0.00 H ATOM 309 N LYS A 32 14.340 8.596 11.060 1.00 37.62 N ATOM 310 CA LYS A 32 14.114 8.569 12.505 1.00 42.31 C ATOM 311 C LYS A 32 14.401 9.957 12.945 1.00 41.43 C ATOM 312 O LYS A 32 15.290 10.548 12.370 1.00 43.11 O ATOM 313 CB LYS A 32 15.014 7.531 13.192 1.00 46.35 C ATOM 314 CG LYS A 32 14.621 6.096 12.853 1.00 46.60 C ATOM 315 CD LYS A 32 15.445 5.033 13.589 1.00 52.64 C ATOM 316 CE LYS A 32 14.840 3.645 13.409 1.00 52.18 C ATOM 317 NZ LYS A 32 15.682 2.486 13.822 1.00 55.08 N ATOM 318 HZ1 LYS A 32 16.562 2.484 13.268 1.00 0.00 H ATOM 319 HZ2 LYS A 32 15.908 2.566 14.834 1.00 0.00 H ATOM 320 HZ3 LYS A 32 15.161 1.602 13.651 1.00 0.00 H ATOM 321 H LYS A 32 15.212 9.039 10.706 1.00 0.00 H ATOM 322 N ASP A 33 13.559 10.531 13.829 1.00 35.56 N ATOM 323 CA ASP A 33 13.785 11.812 14.532 1.00 38.97 C ATOM 324 C ASP A 33 13.483 11.581 16.032 1.00 42.28 C ATOM 325 O ASP A 33 12.363 11.809 16.458 1.00 39.65 O ATOM 326 CB ASP A 33 12.798 12.910 14.022 1.00 36.70 C ATOM 327 CG ASP A 33 13.018 14.306 14.714 1.00 42.38 C ATOM 328 OD1 ASP A 33 14.014 14.495 15.426 1.00 44.92 O ATOM 329 OD2 ASP A 33 12.169 15.207 14.617 1.00 39.10 O ATOM 330 H ASP A 33 12.672 10.028 14.034 1.00 0.00 H ATOM 331 N GLU A 34 14.406 11.115 16.855 1.00 51.79 N ATOM 332 CA GLU A 34 14.055 10.960 18.311 1.00 48.21 C ATOM 333 C GLU A 34 12.844 9.988 18.538 1.00 43.71 C ATOM 334 O GLU A 34 12.871 8.865 18.024 1.00 44.87 O ATOM 335 CB GLU A 34 13.845 12.345 18.953 1.00 52.09 C ATOM 336 CG GLU A 34 15.028 13.298 18.729 1.00 63.56 C ATOM 337 CD GLU A 34 15.280 14.262 19.901 1.00 75.21 C ATOM 338 OE1 GLU A 34 14.748 14.050 21.018 1.00 82.13 O ATOM 339 OE2 GLU A 34 16.026 15.247 19.712 1.00 75.97 O ATOM 340 H GLU A 34 15.352 10.861 16.505 1.00 0.00 H ATOM 341 N GLY A 35 11.807 10.405 19.273 1.00 42.62 N ATOM 342 CA GLY A 35 10.630 9.550 19.531 1.00 45.86 C ATOM 343 C GLY A 35 9.693 9.205 18.359 1.00 39.61 C ATOM 344 O GLY A 35 8.818 8.318 18.472 1.00 35.39 O ATOM 345 H GLY A 35 11.830 11.363 19.676 1.00 0.00 H ATOM 346 N TRP A 36 9.835 9.915 17.238 1.00 33.24 N ATOM 347 CA TRP A 36 8.988 9.709 16.095 1.00 30.64 C ATOM 348 C TRP A 36 9.789 9.164 14.907 1.00 32.89 C ATOM 349 O TRP A 36 10.865 9.677 14.583 1.00 28.80 O ATOM 350 CB TRP A 36 8.329 11.022 15.747 1.00 33.62 C ATOM 351 CG TRP A 36 7.401 11.400 16.752 1.00 33.47 C ATOM 352 CD1 TRP A 36 7.675 12.048 17.931 1.00 40.80 C ATOM 353 CD2 TRP A 36 6.011 11.153 16.748 1.00 33.94 C ATOM 354 NE1 TRP A 36 6.537 12.188 18.656 1.00 34.55 N ATOM 355 CE2 TRP A 36 5.491 11.684 17.944 1.00 36.57 C ATOM 356 CE3 TRP A 36 5.136 10.547 15.839 1.00 31.30 C ATOM 357 CZ2 TRP A 36 4.130 11.637 18.256 1.00 36.89 C ATOM 358 CZ3 TRP A 36 3.808 10.469 16.160 1.00 31.73 C ATOM 359 CH2 TRP A 36 3.313 11.030 17.368 1.00 33.86 C ATOM 360 HE1 TRP A 36 6.473 12.612 19.603 1.00 0.00 H ATOM 361 H TRP A 36 10.580 10.639 17.190 1.00 0.00 H ATOM 362 N TRP A 37 9.256 8.163 14.220 1.00 32.44 N ATOM 363 CA TRP A 37 9.960 7.555 13.075 1.00 34.15 C ATOM 364 C TRP A 37 9.079 7.693 11.867 1.00 32.58 C ATOM 365 O TRP A 37 7.865 7.549 11.991 1.00 31.98 O ATOM 366 CB TRP A 37 10.253 6.102 13.312 1.00 31.66 C ATOM 367 CG TRP A 37 11.206 5.817 14.368 1.00 35.28 C ATOM 368 CD1 TRP A 37 12.025 6.683 15.025 1.00 41.86 C ATOM 369 CD2 TRP A 37 11.511 4.519 14.878 1.00 38.39 C ATOM 370 NE1 TRP A 37 12.832 6.001 15.908 1.00 38.37 N ATOM 371 CE2 TRP A 37 12.523 4.676 15.855 1.00 38.39 C ATOM 372 CE3 TRP A 37 11.046 3.226 14.581 1.00 38.39 C ATOM 373 CZ2 TRP A 37 13.100 3.571 16.554 1.00 39.26 C ATOM 374 CZ3 TRP A 37 11.607 2.130 15.281 1.00 41.85 C ATOM 375 CH2 TRP A 37 12.634 2.328 16.254 1.00 39.28 C ATOM 376 HE1 TRP A 37 13.559 6.428 16.516 1.00 0.00 H ATOM 377 H TRP A 37 8.321 7.799 14.494 1.00 0.00 H ATOM 378 N LYS A 38 9.666 7.962 10.711 1.00 29.87 N ATOM 379 CA LYS A 38 8.867 8.114 9.517 1.00 27.29 C ATOM 380 C LYS A 38 8.665 6.784 8.831 1.00 27.77 C ATOM 381 O LYS A 38 9.606 6.132 8.390 1.00 31.48 O ATOM 382 CB LYS A 38 9.479 9.196 8.618 1.00 32.69 C ATOM 383 CG LYS A 38 8.585 9.645 7.451 1.00 38.54 C ATOM 384 CD LYS A 38 9.217 10.816 6.653 1.00 39.75 C ATOM 385 CE LYS A 38 8.119 11.663 6.047 1.00 49.27 C ATOM 386 NZ LYS A 38 8.653 12.885 5.414 1.00 49.82 N ATOM 387 HZ1 LYS A 38 9.149 13.456 6.128 1.00 0.00 H ATOM 388 HZ2 LYS A 38 9.316 12.621 4.658 1.00 0.00 H ATOM 389 HZ3 LYS A 38 7.869 13.437 5.011 1.00 0.00 H ATOM 390 H LYS A 38 10.700 8.064 10.663 1.00 0.00 H ATOM 391 N GLY A 39 7.423 6.341 8.778 1.00 27.04 N ATOM 392 CA GLY A 39 7.129 4.998 8.290 1.00 28.78 C ATOM 393 C GLY A 39 6.372 4.995 6.986 1.00 32.48 C ATOM 394 O GLY A 39 5.763 6.021 6.583 1.00 26.05 O ATOM 395 H GLY A 39 6.644 6.957 9.088 1.00 0.00 H ATOM 396 N GLU A 40 6.350 3.821 6.367 1.00 32.28 N ATOM 397 CA GLU A 40 5.667 3.574 5.104 1.00 32.52 C ATOM 398 C GLU A 40 4.864 2.268 5.170 1.00 29.71 C ATOM 399 O GLU A 40 5.350 1.248 5.592 1.00 29.50 O ATOM 400 CB GLU A 40 6.681 3.551 3.934 1.00 38.64 C ATOM 401 CG GLU A 40 6.016 3.220 2.578 1.00 41.14 C ATOM 402 CD GLU A 40 5.782 1.717 2.309 1.00 49.42 C ATOM 403 OE1 GLU A 40 6.746 0.949 2.464 1.00 51.12 O ATOM 404 OE2 GLU A 40 4.625 1.303 1.926 1.00 57.96 O ATOM 405 H GLU A 40 6.852 3.027 6.812 1.00 0.00 H ATOM 406 N LEU A 41 3.603 2.319 4.856 1.00 31.66 N ATOM 407 CA LEU A 41 2.738 1.162 4.998 1.00 37.55 C ATOM 408 C LEU A 41 1.725 1.242 3.872 1.00 39.72 C ATOM 409 O LEU A 41 0.875 2.168 3.828 1.00 37.01 O ATOM 410 CB LEU A 41 1.999 1.204 6.367 1.00 35.70 C ATOM 411 CG LEU A 41 0.868 0.206 6.598 1.00 40.62 C ATOM 412 CD1 LEU A 41 1.456 -1.203 6.757 1.00 42.74 C ATOM 413 CD2 LEU A 41 -0.014 0.572 7.803 1.00 38.92 C ATOM 414 H LEU A 41 3.205 3.209 4.495 1.00 0.00 H ATOM 415 N ASN A 42 1.766 0.256 2.974 1.00 43.06 N ATOM 416 CA ASN A 42 0.853 0.207 1.805 1.00 34.98 C ATOM 417 C ASN A 42 0.841 1.498 1.017 1.00 31.58 C ATOM 418 O ASN A 42 -0.217 1.976 0.604 1.00 36.57 O ATOM 419 CB ASN A 42 -0.580 -0.170 2.230 1.00 45.89 C ATOM 420 CG ASN A 42 -0.620 -1.487 3.002 1.00 59.66 C ATOM 421 OD1 ASN A 42 0.256 -2.347 2.842 1.00 66.26 O ATOM 422 ND2 ASN A 42 -1.598 -1.631 3.882 1.00 68.04 N ATOM 423 HD22 ASN A 42 -2.316 -0.886 3.988 1.00 0.00 H ATOM 424 HD21 ASN A 42 -1.648 -2.489 4.468 1.00 0.00 H ATOM 425 H ASN A 42 2.463 -0.506 3.098 1.00 0.00 H ATOM 426 N GLY A 43 2.021 2.079 0.875 1.00 28.51 N ATOM 427 CA GLY A 43 2.209 3.221 0.069 1.00 30.63 C ATOM 428 C GLY A 43 1.956 4.549 0.738 1.00 31.75 C ATOM 429 O GLY A 43 2.129 5.554 0.115 1.00 33.28 O ATOM 430 H GLY A 43 2.840 1.679 1.376 1.00 0.00 H ATOM 431 N GLN A 44 1.574 4.530 1.999 1.00 31.35 N ATOM 432 CA GLN A 44 1.246 5.720 2.791 1.00 33.45 C ATOM 433 C GLN A 44 2.435 5.947 3.674 1.00 30.82 C ATOM 434 O GLN A 44 2.948 5.015 4.299 1.00 29.23 O ATOM 435 CB GLN A 44 0.019 5.485 3.694 1.00 37.13 C ATOM 436 CG GLN A 44 -1.332 5.216 3.070 1.00 40.23 C ATOM 437 CD GLN A 44 -1.931 6.453 2.424 1.00 44.81 C ATOM 438 OE1 GLN A 44 -2.363 6.378 1.303 1.00 53.70 O ATOM 439 NE2 GLN A 44 -1.967 7.575 3.116 1.00 39.84 N ATOM 440 HE22 GLN A 44 -1.584 7.602 4.083 1.00 0.00 H ATOM 441 HE21 GLN A 44 -2.378 8.433 2.695 1.00 0.00 H ATOM 442 H GLN A 44 1.500 3.604 2.467 1.00 0.00 H ATOM 443 N GLU A 45 2.851 7.194 3.759 1.00 27.49 N ATOM 444 CA GLU A 45 3.997 7.569 4.540 1.00 31.54 C ATOM 445 C GLU A 45 3.664 8.603 5.591 1.00 31.92 C ATOM 446 O GLU A 45 2.967 9.591 5.295 1.00 31.74 O ATOM 447 CB GLU A 45 5.026 8.126 3.562 1.00 37.32 C ATOM 448 CG GLU A 45 6.200 8.854 4.123 1.00 46.96 C ATOM 449 CD GLU A 45 6.889 9.665 3.036 1.00 55.08 C ATOM 450 OE1 GLU A 45 6.248 10.530 2.407 1.00 66.88 O ATOM 451 OE2 GLU A 45 8.078 9.420 2.820 1.00 61.32 O ATOM 452 H GLU A 45 2.332 7.933 3.243 1.00 0.00 H ATOM 453 N GLY A 46 4.216 8.434 6.786 1.00 28.54 N ATOM 454 CA GLY A 46 4.102 9.457 7.839 1.00 26.26 C ATOM 455 C GLY A 46 4.688 9.042 9.144 1.00 25.61 C ATOM 456 O GLY A 46 5.218 7.919 9.275 1.00 28.34 O ATOM 457 H GLY A 46 4.741 7.558 6.983 1.00 0.00 H ATOM 458 N TRP A 47 4.646 9.966 10.094 1.00 24.51 N ATOM 459 CA TRP A 47 5.333 9.775 11.335 1.00 25.22 C ATOM 460 C TRP A 47 4.530 8.903 12.288 1.00 24.05 C ATOM 461 O TRP A 47 3.325 9.024 12.398 1.00 24.24 O ATOM 462 CB TRP A 47 5.717 11.067 11.954 1.00 26.09 C ATOM 463 CG TRP A 47 6.711 11.864 11.090 1.00 26.21 C ATOM 464 CD1 TRP A 47 6.401 12.769 10.116 1.00 27.90 C ATOM 465 CD2 TRP A 47 8.126 11.786 11.136 1.00 29.20 C ATOM 466 NE1 TRP A 47 7.543 13.268 9.558 1.00 31.50 N ATOM 467 CE2 TRP A 47 8.624 12.704 10.177 1.00 31.77 C ATOM 468 CE3 TRP A 47 9.036 11.052 11.905 1.00 31.19 C ATOM 469 CZ2 TRP A 47 9.991 12.876 9.953 1.00 33.49 C ATOM 470 CZ3 TRP A 47 10.429 11.251 11.698 1.00 35.51 C ATOM 471 CH2 TRP A 47 10.879 12.149 10.739 1.00 34.65 C ATOM 472 HE1 TRP A 47 7.584 13.965 8.787 1.00 0.00 H ATOM 473 H TRP A 47 4.107 10.841 9.935 1.00 0.00 H ATOM 474 N ILE A 48 5.248 8.090 13.017 1.00 24.96 N ATOM 475 CA ILE A 48 4.615 7.200 14.010 1.00 27.83 C ATOM 476 C ILE A 48 5.407 7.273 15.324 1.00 27.45 C ATOM 477 O ILE A 48 6.629 7.444 15.266 1.00 24.46 O ATOM 478 CB ILE A 48 4.630 5.744 13.488 1.00 26.82 C ATOM 479 CG1 ILE A 48 6.004 5.193 13.374 1.00 27.11 C ATOM 480 CG2 ILE A 48 3.926 5.626 12.129 1.00 28.15 C ATOM 481 CD1 ILE A 48 6.018 3.709 13.098 1.00 31.16 C ATOM 482 H ILE A 48 6.281 8.070 12.896 1.00 0.00 H ATOM 483 N PRO A 49 4.736 7.053 16.495 1.00 30.32 N ATOM 484 CA PRO A 49 5.437 6.957 17.770 1.00 29.52 C ATOM 485 C PRO A 49 6.241 5.629 17.860 1.00 28.49 C ATOM 486 O PRO A 49 5.673 4.494 17.712 1.00 29.47 O ATOM 487 CB PRO A 49 4.308 7.053 18.817 1.00 30.30 C ATOM 488 CG PRO A 49 3.013 6.837 18.120 1.00 32.43 C ATOM 489 CD PRO A 49 3.296 6.735 16.640 1.00 32.82 C ATOM 490 N ASN A 50 7.531 5.745 18.137 1.00 26.19 N ATOM 491 CA ASN A 50 8.363 4.572 18.104 1.00 32.61 C ATOM 492 C ASN A 50 8.073 3.570 19.255 1.00 35.29 C ATOM 493 O ASN A 50 8.332 2.400 19.088 1.00 36.56 O ATOM 494 CB ASN A 50 9.837 4.876 18.027 1.00 37.34 C ATOM 495 CG ASN A 50 10.346 5.621 19.228 1.00 43.07 C ATOM 496 OD1 ASN A 50 9.688 5.688 20.257 1.00 42.20 O ATOM 497 ND2 ASN A 50 11.471 6.274 19.062 1.00 49.57 N ATOM 498 HD22 ASN A 50 11.996 6.186 18.169 1.00 0.00 H ATOM 499 HD21 ASN A 50 11.838 6.880 19.824 1.00 0.00 H ATOM 500 H ASN A 50 7.937 6.672 18.375 1.00 0.00 H ATOM 501 N ASN A 51 7.455 4.019 20.336 1.00 33.12 N ATOM 502 CA ASN A 51 6.989 3.072 21.354 1.00 39.94 C ATOM 503 C ASN A 51 5.733 2.291 20.976 1.00 44.16 C ATOM 504 O ASN A 51 5.294 1.459 21.739 1.00 40.82 O ATOM 505 CB ASN A 51 6.765 3.763 22.703 1.00 38.05 C ATOM 506 CG ASN A 51 5.795 4.895 22.636 1.00 36.23 C ATOM 507 OD1 ASN A 51 5.613 5.505 21.604 1.00 35.11 O ATOM 508 ND2 ASN A 51 5.181 5.223 23.770 1.00 38.04 N ATOM 509 HD22 ASN A 51 5.362 4.677 24.636 1.00 0.00 H ATOM 510 HD21 ASN A 51 4.520 6.026 23.790 1.00 0.00 H ATOM 511 H ASN A 51 7.301 5.040 20.463 1.00 0.00 H ATOM 512 N TYR A 52 5.144 2.519 19.804 1.00 33.07 N ATOM 513 CA TYR A 52 3.980 1.742 19.460 1.00 32.69 C ATOM 514 C TYR A 52 4.364 0.565 18.623 1.00 31.78 C ATOM 515 O TYR A 52 3.488 -0.205 18.243 1.00 33.67 O ATOM 516 CB TYR A 52 2.957 2.570 18.734 1.00 31.38 C ATOM 517 CG TYR A 52 2.016 3.327 19.603 1.00 29.24 C ATOM 518 CD1 TYR A 52 2.482 4.122 20.651 1.00 35.08 C ATOM 519 CD2 TYR A 52 0.666 3.228 19.398 1.00 26.50 C ATOM 520 CE1 TYR A 52 1.603 4.817 21.446 1.00 30.02 C ATOM 521 CE2 TYR A 52 -0.231 3.912 20.174 1.00 32.98 C ATOM 522 CZ TYR A 52 0.240 4.690 21.205 1.00 31.86 C ATOM 523 OH TYR A 52 -0.649 5.365 21.968 1.00 35.05 O ATOM 524 HH TYR A 52 -0.164 5.876 22.663 1.00 0.00 H ATOM 525 H TYR A 52 5.515 3.240 19.153 1.00 0.00 H ATOM 526 N VAL A 53 5.658 0.404 18.327 1.00 31.68 N ATOM 527 CA VAL A 53 6.054 -0.662 17.435 1.00 35.47 C ATOM 528 C VAL A 53 7.219 -1.436 17.975 1.00 36.99 C ATOM 529 O VAL A 53 7.919 -0.923 18.800 1.00 39.50 O ATOM 530 CB VAL A 53 6.464 -0.094 16.062 1.00 33.78 C ATOM 531 CG1 VAL A 53 5.274 0.601 15.462 1.00 35.45 C ATOM 532 CG2 VAL A 53 7.636 0.869 16.218 1.00 34.35 C ATOM 533 H VAL A 53 6.373 1.040 18.735 1.00 0.00 H ATOM 534 N LYS A 54 7.472 -2.610 17.413 1.00 38.54 N ATOM 535 CA LYS A 54 8.649 -3.393 17.768 1.00 47.19 C ATOM 536 C LYS A 54 9.447 -3.840 16.518 1.00 45.26 C ATOM 537 O LYS A 54 8.893 -4.408 15.580 1.00 43.85 O ATOM 538 CB LYS A 54 8.243 -4.610 18.606 1.00 54.79 C ATOM 539 CG LYS A 54 9.368 -5.632 18.762 1.00 66.05 C ATOM 540 CD LYS A 54 9.201 -6.503 19.993 1.00 72.39 C ATOM 541 CE LYS A 54 9.905 -7.846 19.817 1.00 75.20 C ATOM 542 NZ LYS A 54 9.630 -8.741 20.976 1.00 76.45 N ATOM 543 HZ1 LYS A 54 9.975 -8.292 21.849 1.00 0.00 H ATOM 544 HZ2 LYS A 54 8.606 -8.905 21.050 1.00 0.00 H ATOM 545 HZ3 LYS A 54 10.118 -9.648 20.835 1.00 0.00 H ATOM 546 H LYS A 54 6.813 -2.982 16.700 1.00 0.00 H ATOM 547 N GLU A 55 10.751 -3.611 16.557 1.00 51.73 N ATOM 548 CA GLU A 55 11.671 -3.982 15.475 1.00 61.59 C ATOM 549 C GLU A 55 11.609 -5.453 15.108 1.00 62.16 C ATOM 550 O GLU A 55 11.464 -6.274 15.979 1.00 55.91 O ATOM 551 CB GLU A 55 13.101 -3.615 15.875 1.00 64.56 C ATOM 552 CG GLU A 55 13.600 -2.298 15.270 1.00 74.78 C ATOM 553 CD GLU A 55 14.409 -2.507 13.973 1.00 84.76 C ATOM 554 OE1 GLU A 55 14.147 -3.499 13.241 1.00 89.47 O ATOM 555 OE2 GLU A 55 15.309 -1.681 13.677 1.00 76.11 O ATOM 556 H GLU A 55 11.144 -3.144 17.399 1.00 0.00 H ATOM 557 N ILE A 56 11.708 -5.763 13.819 1.00 61.79 N ATOM 558 CA ILE A 56 11.707 -7.141 13.336 1.00 67.95 C ATOM 559 C ILE A 56 13.148 -7.528 13.024 1.00 75.34 C ATOM 560 O ILE A 56 13.943 -6.696 12.593 1.00 76.26 O ATOM 561 CB ILE A 56 10.863 -7.357 12.068 1.00 71.36 C ATOM 562 CG1 ILE A 56 9.646 -6.428 12.069 1.00 79.48 C ATOM 563 CG2 ILE A 56 10.446 -8.811 11.954 1.00 67.56 C ATOM 564 CD1 ILE A 56 8.489 -6.849 11.183 1.00 76.22 C ATOM 565 H ILE A 56 11.790 -4.992 13.126 1.00 0.00 H ATOM 566 N LEU A 57 13.467 -8.805 13.248 1.00 80.68 N ATOM 567 CA LEU A 57 14.841 -9.358 13.125 1.00 75.60 C ATOM 568 C LEU A 57 15.488 -9.267 11.735 1.00 63.16 C ATOM 569 O LEU A 57 14.901 -9.690 10.749 1.00 69.01 O ATOM 570 CB LEU A 57 14.827 -10.830 13.585 1.00 42.37 C ATOM 571 H LEU A 57 12.704 -9.455 13.527 1.00 0.00 H TER 572 LEU A 57 ATOM 573 N MET B -1 -1.414 11.070 6.535 1.00 39.28 N ATOM 574 CA MET B -1 -0.181 10.474 5.944 1.00 38.28 C ATOM 575 C MET B -1 -0.229 10.993 4.507 1.00 35.02 C ATOM 576 O MET B -1 -1.268 11.474 4.131 1.00 33.42 O ATOM 577 CB MET B -1 -0.306 8.941 5.986 1.00 34.13 C ATOM 578 HN3 MET B -1 -2.246 10.735 6.009 1.00 0.00 H ATOM 579 HN2 MET B -1 -1.359 12.107 6.475 1.00 0.00 H ATOM 580 HN1 MET B -1 -1.493 10.783 7.531 1.00 0.00 H ATOM 581 N SER B 0 0.857 10.876 3.747 1.00 36.67 N ATOM 582 CA SER B 0 0.828 11.151 2.276 1.00 43.67 C ATOM 583 C SER B 0 1.058 9.853 1.476 1.00 38.86 C ATOM 584 O SER B 0 1.783 8.967 1.939 1.00 33.74 O ATOM 585 CB SER B 0 1.835 12.226 1.949 1.00 46.11 C ATOM 586 OG SER B 0 3.082 11.905 2.476 1.00 55.37 O ATOM 587 HG SER B 0 3.728 12.621 2.251 1.00 0.00 H ATOM 588 H SER B 0 1.753 10.585 4.188 1.00 0.00 H ATOM 589 N LYS B 1 0.401 9.719 0.321 1.00 34.68 N ATOM 590 CA LYS B 1 0.505 8.501 -0.500 1.00 37.14 C ATOM 591 C LYS B 1 1.698 8.697 -1.438 1.00 38.59 C ATOM 592 O LYS B 1 1.727 9.666 -2.184 1.00 39.65 O ATOM 593 CB LYS B 1 -0.792 8.255 -1.298 1.00 40.64 C ATOM 594 CG LYS B 1 -0.809 6.946 -2.062 1.00 44.17 C ATOM 595 CD LYS B 1 -1.032 5.708 -1.138 1.00 40.53 C ATOM 596 CE LYS B 1 -1.058 4.411 -1.920 1.00 53.73 C ATOM 597 NZ LYS B 1 -0.015 4.363 -2.997 1.00 53.87 N ATOM 598 HZ1 LYS B 1 -0.174 5.143 -3.667 1.00 0.00 H ATOM 599 HZ2 LYS B 1 0.928 4.459 -2.569 1.00 0.00 H ATOM 600 HZ3 LYS B 1 -0.079 3.455 -3.499 1.00 0.00 H ATOM 601 H LYS B 1 -0.203 10.499 -0.009 1.00 0.00 H ATOM 602 N LEU B 2 2.670 7.786 -1.394 1.00 29.84 N ATOM 603 CA LEU B 2 3.818 7.834 -2.277 1.00 29.92 C ATOM 604 C LEU B 2 3.420 7.166 -3.592 1.00 29.37 C ATOM 605 O LEU B 2 2.560 6.250 -3.600 1.00 31.70 O ATOM 606 CB LEU B 2 5.015 7.114 -1.637 1.00 29.43 C ATOM 607 CG LEU B 2 5.666 7.767 -0.416 1.00 32.84 C ATOM 608 CD1 LEU B 2 6.461 6.751 0.380 1.00 32.49 C ATOM 609 CD2 LEU B 2 6.557 8.984 -0.767 1.00 34.59 C ATOM 610 H LEU B 2 2.602 7.013 -0.701 1.00 0.00 H ATOM 611 N PRO B 3 4.087 7.509 -4.690 1.00 27.11 N ATOM 612 CA PRO B 3 3.735 6.802 -5.916 1.00 28.49 C ATOM 613 C PRO B 3 4.088 5.333 -5.828 1.00 25.68 C ATOM 614 O PRO B 3 5.059 4.964 -5.115 1.00 25.14 O ATOM 615 CB PRO B 3 4.611 7.481 -6.975 1.00 30.20 C ATOM 616 CG PRO B 3 5.223 8.687 -6.328 1.00 31.13 C ATOM 617 CD PRO B 3 5.247 8.385 -4.865 1.00 26.98 C ATOM 618 N GLN B 4 3.261 4.481 -6.422 1.00 25.22 N ATOM 619 CA GLN B 4 3.594 3.093 -6.579 1.00 29.10 C ATOM 620 C GLN B 4 3.622 2.644 -8.016 1.00 27.88 C ATOM 621 O GLN B 4 2.992 3.233 -8.857 1.00 28.32 O ATOM 622 CB GLN B 4 2.696 2.209 -5.749 1.00 36.20 C ATOM 623 CG GLN B 4 2.865 2.502 -4.251 1.00 37.95 C ATOM 624 CD GLN B 4 2.059 1.535 -3.458 1.00 38.36 C ATOM 625 OE1 GLN B 4 0.887 1.451 -3.683 1.00 42.38 O ATOM 626 NE2 GLN B 4 2.673 0.826 -2.502 1.00 41.16 N ATOM 627 HE22 GLN B 4 3.695 0.937 -2.348 1.00 0.00 H ATOM 628 HE21 GLN B 4 2.127 0.164 -1.914 1.00 0.00 H ATOM 629 H GLN B 4 2.349 4.828 -6.783 1.00 0.00 H ATOM 630 N VAL B 5 4.436 1.611 -8.247 1.00 25.01 N ATOM 631 CA VAL B 5 4.660 1.075 -9.570 1.00 24.66 C ATOM 632 C VAL B 5 4.513 -0.450 -9.505 1.00 22.82 C ATOM 633 O VAL B 5 4.722 -1.074 -8.467 1.00 25.83 O ATOM 634 CB VAL B 5 6.045 1.433 -10.154 1.00 23.11 C ATOM 635 CG1 VAL B 5 6.283 2.946 -10.234 1.00 25.26 C ATOM 636 CG2 VAL B 5 7.159 0.686 -9.441 1.00 23.96 C ATOM 637 H VAL B 5 4.929 1.174 -7.442 1.00 0.00 H ATOM 638 N LYS B 6 4.116 -1.000 -10.636 1.00 24.98 N ATOM 639 CA LYS B 6 4.078 -2.401 -10.840 1.00 27.94 C ATOM 640 C LYS B 6 5.083 -2.823 -11.925 1.00 23.03 C ATOM 641 O LYS B 6 5.048 -2.312 -13.068 1.00 24.42 O ATOM 642 CB LYS B 6 2.657 -2.791 -11.277 1.00 30.23 C ATOM 643 CG LYS B 6 2.454 -4.271 -11.268 1.00 35.71 C ATOM 644 CD LYS B 6 1.158 -4.735 -11.995 1.00 42.70 C ATOM 645 CE LYS B 6 0.193 -5.318 -11.028 1.00 45.33 C ATOM 646 NZ LYS B 6 -1.050 -5.707 -11.749 1.00 48.37 N ATOM 647 HZ1 LYS B 6 -1.468 -4.866 -12.195 1.00 0.00 H ATOM 648 HZ2 LYS B 6 -0.820 -6.410 -12.480 1.00 0.00 H ATOM 649 HZ3 LYS B 6 -1.727 -6.116 -11.074 1.00 0.00 H ATOM 650 H LYS B 6 3.817 -0.377 -11.413 1.00 0.00 H ATOM 651 N ALA B 7 5.898 -3.800 -11.567 1.00 22.11 N ATOM 652 CA ALA B 7 6.955 -4.296 -12.435 1.00 25.80 C ATOM 653 C ALA B 7 6.380 -5.027 -13.617 1.00 30.17 C ATOM 654 O ALA B 7 5.580 -5.922 -13.430 1.00 27.36 O ATOM 655 CB ALA B 7 7.845 -5.222 -11.674 1.00 25.20 C ATOM 656 H ALA B 7 5.779 -4.231 -10.628 1.00 0.00 H ATOM 657 N LEU B 8 6.834 -4.657 -14.823 1.00 29.62 N ATOM 658 CA LEU B 8 6.382 -5.319 -16.035 1.00 29.76 C ATOM 659 C LEU B 8 7.307 -6.507 -16.387 1.00 34.38 C ATOM 660 O LEU B 8 6.921 -7.363 -17.138 1.00 31.06 O ATOM 661 CB LEU B 8 6.375 -4.350 -17.157 1.00 29.49 C ATOM 662 CG LEU B 8 5.532 -3.088 -16.987 1.00 30.33 C ATOM 663 CD1 LEU B 8 5.829 -2.190 -18.146 1.00 35.58 C ATOM 664 CD2 LEU B 8 4.043 -3.455 -16.959 1.00 37.21 C ATOM 665 H LEU B 8 7.523 -3.881 -14.892 1.00 0.00 H ATOM 666 N TYR B 9 8.556 -6.470 -15.966 1.00 34.08 N ATOM 667 CA TYR B 9 9.561 -7.476 -16.347 1.00 30.94 C ATOM 668 C TYR B 9 10.382 -7.721 -15.091 1.00 34.16 C ATOM 669 O TYR B 9 10.454 -6.850 -14.212 1.00 32.29 O ATOM 670 CB TYR B 9 10.468 -6.982 -17.487 1.00 32.58 C ATOM 671 CG TYR B 9 9.803 -6.194 -18.560 1.00 35.53 C ATOM 672 CD1 TYR B 9 9.101 -6.798 -19.572 1.00 36.26 C ATOM 673 CD2 TYR B 9 9.917 -4.819 -18.591 1.00 32.01 C ATOM 674 CE1 TYR B 9 8.456 -6.036 -20.544 1.00 33.03 C ATOM 675 CE2 TYR B 9 9.303 -4.074 -19.548 1.00 35.58 C ATOM 676 CZ TYR B 9 8.564 -4.719 -20.531 1.00 33.24 C ATOM 677 OH TYR B 9 7.969 -3.996 -21.460 1.00 38.69 O ATOM 678 HH TYR B 9 7.486 -4.595 -22.083 1.00 0.00 H ATOM 679 H TYR B 9 8.844 -5.695 -15.336 1.00 0.00 H ATOM 680 N PRO B 10 11.035 -8.875 -14.980 1.00 37.10 N ATOM 681 CA PRO B 10 11.932 -8.999 -13.860 1.00 34.08 C ATOM 682 C PRO B 10 13.223 -8.210 -14.083 1.00 28.47 C ATOM 683 O PRO B 10 13.548 -7.820 -15.189 1.00 28.61 O ATOM 684 CB PRO B 10 12.234 -10.516 -13.817 1.00 40.49 C ATOM 685 CG PRO B 10 12.180 -10.935 -15.240 1.00 38.13 C ATOM 686 CD PRO B 10 11.123 -10.045 -15.894 1.00 38.20 C ATOM 687 N TYR B 11 13.904 -7.934 -12.995 1.00 29.50 N ATOM 688 CA TYR B 11 15.150 -7.237 -13.045 1.00 31.40 C ATOM 689 C TYR B 11 16.091 -7.728 -11.983 1.00 30.49 C ATOM 690 O TYR B 11 15.735 -7.861 -10.794 1.00 28.27 O ATOM 691 CB TYR B 11 14.929 -5.709 -12.866 1.00 28.39 C ATOM 692 CG TYR B 11 16.225 -4.906 -13.020 1.00 31.29 C ATOM 693 CD1 TYR B 11 16.896 -4.891 -14.235 1.00 31.09 C ATOM 694 CD2 TYR B 11 16.793 -4.206 -11.957 1.00 30.39 C ATOM 695 CE1 TYR B 11 18.069 -4.193 -14.397 1.00 30.61 C ATOM 696 CE2 TYR B 11 17.993 -3.469 -12.131 1.00 30.53 C ATOM 697 CZ TYR B 11 18.606 -3.479 -13.368 1.00 31.24 C ATOM 698 OH TYR B 11 19.795 -2.792 -13.651 1.00 32.22 O ATOM 699 HH TYR B 11 20.045 -2.943 -14.597 1.00 0.00 H ATOM 700 H TYR B 11 13.526 -8.231 -12.072 1.00 0.00 H ATOM 701 N THR B 12 17.343 -7.864 -12.380 1.00 29.64 N ATOM 702 CA THR B 12 18.424 -8.184 -11.437 1.00 28.53 C ATOM 703 C THR B 12 19.365 -7.014 -11.242 1.00 27.36 C ATOM 704 O THR B 12 19.888 -6.477 -12.214 1.00 31.59 O ATOM 705 CB THR B 12 19.228 -9.408 -11.928 1.00 33.93 C ATOM 706 OG1 THR B 12 18.304 -10.450 -12.073 1.00 35.46 O ATOM 707 CG2 THR B 12 20.253 -9.881 -10.851 1.00 41.11 C ATOM 708 HG1 THR B 12 17.614 -10.188 -12.733 1.00 0.00 H ATOM 709 H THR B 12 17.570 -7.741 -13.387 1.00 0.00 H ATOM 710 N ALA B 13 19.511 -6.589 -9.984 1.00 30.34 N ATOM 711 CA ALA B 13 20.358 -5.474 -9.626 1.00 31.24 C ATOM 712 C ALA B 13 21.756 -5.723 -10.131 1.00 36.25 C ATOM 713 O ALA B 13 22.325 -6.730 -9.840 1.00 29.93 O ATOM 714 CB ALA B 13 20.405 -5.294 -8.127 1.00 31.90 C ATOM 715 H ALA B 13 18.993 -7.082 -9.229 1.00 0.00 H ATOM 716 N ALA B 14 22.279 -4.779 -10.881 1.00 37.93 N ATOM 717 CA ALA B 14 23.657 -4.827 -11.357 1.00 43.81 C ATOM 718 C ALA B 14 24.677 -4.516 -10.244 1.00 42.94 C ATOM 719 O ALA B 14 25.820 -4.876 -10.340 1.00 44.26 O ATOM 720 CB ALA B 14 23.811 -3.832 -12.506 1.00 40.02 C ATOM 721 H ALA B 14 21.687 -3.966 -11.146 1.00 0.00 H ATOM 722 N ASN B 15 24.276 -3.806 -9.212 1.00 35.65 N ATOM 723 CA ASN B 15 25.160 -3.537 -8.074 1.00 36.97 C ATOM 724 C ASN B 15 24.325 -3.310 -6.808 1.00 37.07 C ATOM 725 O ASN B 15 23.062 -3.301 -6.841 1.00 33.34 O ATOM 726 CB ASN B 15 26.014 -2.313 -8.382 1.00 34.32 C ATOM 727 CG ASN B 15 25.190 -1.093 -8.686 1.00 39.98 C ATOM 728 OD1 ASN B 15 24.461 -0.578 -7.842 1.00 33.75 O ATOM 729 ND2 ASN B 15 25.320 -0.597 -9.881 1.00 39.19 N ATOM 730 HD22 ASN B 15 25.946 -1.059 -10.571 1.00 0.00 H ATOM 731 HD21 ASN B 15 24.798 0.262 -10.147 1.00 0.00 H ATOM 732 H ASN B 15 23.308 -3.426 -9.203 1.00 0.00 H ATOM 733 N ASP B 16 25.004 -3.057 -5.713 1.00 34.71 N ATOM 734 CA ASP B 16 24.307 -2.846 -4.435 1.00 40.46 C ATOM 735 C ASP B 16 23.432 -1.620 -4.318 1.00 35.48 C ATOM 736 O ASP B 16 22.663 -1.561 -3.409 1.00 35.26 O ATOM 737 CB ASP B 16 25.273 -2.839 -3.262 1.00 46.20 C ATOM 738 CG ASP B 16 25.084 -4.034 -2.441 1.00 59.39 C ATOM 739 OD1 ASP B 16 25.802 -5.023 -2.690 1.00 64.05 O ATOM 740 OD2 ASP B 16 24.139 -4.023 -1.623 1.00 68.44 O ATOM 741 H ASP B 16 26.042 -3.005 -5.750 1.00 0.00 H ATOM 742 N GLU B 17 23.574 -0.638 -5.216 1.00 33.19 N ATOM 743 CA GLU B 17 22.727 0.546 -5.180 1.00 36.58 C ATOM 744 C GLU B 17 21.341 0.302 -5.863 1.00 32.61 C ATOM 745 O GLU B 17 20.456 1.143 -5.701 1.00 33.34 O ATOM 746 CB GLU B 17 23.417 1.742 -5.874 1.00 38.48 C ATOM 747 CG GLU B 17 24.887 2.024 -5.469 1.00 52.08 C ATOM 748 CD GLU B 17 25.196 1.772 -3.987 1.00 58.67 C ATOM 749 OE1 GLU B 17 24.574 2.453 -3.127 1.00 67.49 O ATOM 750 OE2 GLU B 17 26.032 0.866 -3.668 1.00 65.34 O ATOM 751 H GLU B 17 24.303 -0.722 -5.953 1.00 0.00 H ATOM 752 N GLU B 18 21.225 -0.765 -6.646 1.00 26.34 N ATOM 753 CA GLU B 18 20.034 -1.115 -7.398 1.00 25.93 C ATOM 754 C GLU B 18 19.206 -2.126 -6.675 1.00 27.74 C ATOM 755 O GLU B 18 19.642 -2.736 -5.697 1.00 29.32 O ATOM 756 CB GLU B 18 20.364 -1.621 -8.799 1.00 23.68 C ATOM 757 CG GLU B 18 21.037 -0.547 -9.655 1.00 28.60 C ATOM 758 CD GLU B 18 21.412 -1.060 -11.011 1.00 32.32 C ATOM 759 OE1 GLU B 18 21.016 -2.196 -11.392 1.00 32.26 O ATOM 760 OE2 GLU B 18 22.028 -0.263 -11.723 1.00 31.97 O ATOM 761 H GLU B 18 22.048 -1.396 -6.726 1.00 0.00 H ATOM 762 N LEU B 19 17.957 -2.237 -7.112 1.00 25.86 N ATOM 763 CA LEU B 19 16.988 -3.060 -6.447 1.00 24.86 C ATOM 764 C LEU B 19 16.499 -4.080 -7.411 1.00 26.52 C ATOM 765 O LEU B 19 15.903 -3.715 -8.456 1.00 28.65 O ATOM 766 CB LEU B 19 15.824 -2.171 -5.993 1.00 22.93 C ATOM 767 CG LEU B 19 14.560 -2.828 -5.402 1.00 24.82 C ATOM 768 CD1 LEU B 19 14.946 -3.568 -4.133 1.00 26.51 C ATOM 769 CD2 LEU B 19 13.386 -1.911 -5.126 1.00 24.37 C ATOM 770 H LEU B 19 17.672 -1.711 -7.963 1.00 0.00 H ATOM 771 N SER B 20 16.652 -5.357 -7.077 1.00 30.31 N ATOM 772 CA SER B 20 16.063 -6.426 -7.868 1.00 30.64 C ATOM 773 C SER B 20 14.538 -6.595 -7.603 1.00 30.85 C ATOM 774 O SER B 20 14.023 -6.233 -6.561 1.00 30.11 O ATOM 775 CB SER B 20 16.715 -7.784 -7.512 1.00 33.09 C ATOM 776 OG SER B 20 18.080 -7.747 -7.750 1.00 34.06 O ATOM 777 HG SER B 20 18.478 -8.623 -7.517 1.00 0.00 H ATOM 778 H SER B 20 17.206 -5.598 -6.230 1.00 0.00 H ATOM 779 N PHE B 21 13.821 -7.128 -8.575 1.00 28.72 N ATOM 780 CA PHE B 21 12.384 -7.342 -8.429 1.00 29.99 C ATOM 781 C PHE B 21 11.927 -8.353 -9.454 1.00 29.15 C ATOM 782 O PHE B 21 12.614 -8.609 -10.427 1.00 26.87 O ATOM 783 CB PHE B 21 11.534 -6.013 -8.518 1.00 26.17 C ATOM 784 CG PHE B 21 11.839 -5.161 -9.698 1.00 25.52 C ATOM 785 CD1 PHE B 21 11.231 -5.385 -10.923 1.00 22.57 C ATOM 786 CD2 PHE B 21 12.819 -4.194 -9.622 1.00 24.05 C ATOM 787 CE1 PHE B 21 11.507 -4.602 -12.003 1.00 24.52 C ATOM 788 CE2 PHE B 21 13.131 -3.409 -10.722 1.00 24.50 C ATOM 789 CZ PHE B 21 12.482 -3.598 -11.924 1.00 25.01 C ATOM 790 H PHE B 21 14.289 -7.401 -9.463 1.00 0.00 H ATOM 791 N LYS B 22 10.723 -8.850 -9.239 1.00 35.30 N ATOM 792 CA LYS B 22 10.048 -9.743 -10.164 1.00 37.59 C ATOM 793 C LYS B 22 8.804 -9.146 -10.772 1.00 34.44 C ATOM 794 O LYS B 22 8.247 -8.162 -10.285 1.00 30.60 O ATOM 795 CB LYS B 22 9.622 -10.989 -9.415 1.00 41.87 C ATOM 796 CG LYS B 22 10.781 -11.813 -8.879 1.00 50.38 C ATOM 797 CD LYS B 22 10.249 -12.926 -7.941 1.00 64.52 C ATOM 798 CE LYS B 22 10.789 -14.322 -8.261 1.00 73.68 C ATOM 799 NZ LYS B 22 12.216 -14.444 -7.869 1.00 79.33 N ATOM 800 HZ1 LYS B 22 12.779 -13.741 -8.390 1.00 0.00 H ATOM 801 HZ2 LYS B 22 12.309 -14.276 -6.847 1.00 0.00 H ATOM 802 HZ3 LYS B 22 12.556 -15.400 -8.097 1.00 0.00 H ATOM 803 H LYS B 22 10.232 -8.588 -8.360 1.00 0.00 H ATOM 804 N VAL B 23 8.346 -9.772 -11.847 1.00 32.02 N ATOM 805 CA VAL B 23 7.104 -9.354 -12.502 1.00 32.18 C ATOM 806 C VAL B 23 5.972 -9.268 -11.490 1.00 34.34 C ATOM 807 O VAL B 23 5.901 -10.055 -10.576 1.00 34.00 O ATOM 808 CB VAL B 23 6.651 -10.236 -13.684 1.00 36.64 C ATOM 809 CG1 VAL B 23 5.456 -9.583 -14.396 1.00 38.27 C ATOM 810 CG2 VAL B 23 7.731 -10.342 -14.731 1.00 39.11 C ATOM 811 H VAL B 23 8.880 -10.577 -12.234 1.00 0.00 H ATOM 812 N GLY B 24 5.101 -8.272 -11.641 1.00 29.83 N ATOM 813 CA GLY B 24 4.055 -8.020 -10.655 1.00 32.81 C ATOM 814 C GLY B 24 4.405 -7.358 -9.346 1.00 33.32 C ATOM 815 O GLY B 24 3.500 -6.935 -8.621 1.00 35.13 O ATOM 816 H GLY B 24 5.168 -7.661 -12.480 1.00 0.00 H ATOM 817 N ASP B 25 5.680 -7.216 -9.013 1.00 32.19 N ATOM 818 CA ASP B 25 6.035 -6.616 -7.729 1.00 29.83 C ATOM 819 C ASP B 25 5.506 -5.154 -7.684 1.00 28.86 C ATOM 820 O ASP B 25 5.523 -4.467 -8.676 1.00 27.02 O ATOM 821 CB ASP B 25 7.521 -6.661 -7.458 1.00 31.25 C ATOM 822 CG ASP B 25 8.010 -8.053 -7.023 1.00 38.30 C ATOM 823 OD1 ASP B 25 7.157 -8.966 -6.806 1.00 32.52 O ATOM 824 OD2 ASP B 25 9.264 -8.224 -6.935 1.00 36.01 O ATOM 825 H ASP B 25 6.427 -7.531 -9.665 1.00 0.00 H ATOM 826 N ILE B 26 4.978 -4.788 -6.534 1.00 30.14 N ATOM 827 CA ILE B 26 4.492 -3.461 -6.244 1.00 31.53 C ATOM 828 C ILE B 26 5.567 -2.713 -5.457 1.00 28.75 C ATOM 829 O ILE B 26 5.865 -3.024 -4.309 1.00 29.05 O ATOM 830 CB ILE B 26 3.195 -3.443 -5.444 1.00 34.12 C ATOM 831 CG1 ILE B 26 2.087 -4.268 -6.152 1.00 36.71 C ATOM 832 CG2 ILE B 26 2.743 -1.979 -5.243 1.00 36.74 C ATOM 833 CD1 ILE B 26 1.661 -3.716 -7.487 1.00 35.69 C ATOM 834 H ILE B 26 4.907 -5.505 -5.784 1.00 0.00 H ATOM 835 N ILE B 27 6.171 -1.734 -6.116 1.00 26.34 N ATOM 836 CA ILE B 27 7.327 -1.041 -5.575 1.00 23.52 C ATOM 837 C ILE B 27 6.895 0.400 -5.256 1.00 24.85 C ATOM 838 O ILE B 27 6.291 1.058 -6.064 1.00 25.17 O ATOM 839 CB ILE B 27 8.449 -1.075 -6.552 1.00 26.23 C ATOM 840 CG1 ILE B 27 8.688 -2.545 -6.916 1.00 29.66 C ATOM 841 CG2 ILE B 27 9.677 -0.343 -6.003 1.00 24.41 C ATOM 842 CD1 ILE B 27 9.524 -2.713 -8.131 1.00 34.60 C ATOM 843 H ILE B 27 5.806 -1.454 -7.049 1.00 0.00 H ATOM 844 N THR B 28 7.271 0.885 -4.077 1.00 23.94 N ATOM 845 CA THR B 28 6.943 2.232 -3.664 1.00 23.13 C ATOM 846 C THR B 28 8.113 3.122 -4.031 1.00 22.85 C ATOM 847 O THR B 28 9.264 2.749 -3.791 1.00 24.55 O ATOM 848 CB THR B 28 6.726 2.275 -2.128 1.00 28.90 C ATOM 849 OG1 THR B 28 5.690 1.354 -1.791 1.00 25.71 O ATOM 850 CG2 THR B 28 6.299 3.631 -1.722 1.00 30.47 C ATOM 851 HG1 THR B 28 5.957 0.442 -2.070 1.00 0.00 H ATOM 852 H THR B 28 7.817 0.278 -3.433 1.00 0.00 H ATOM 853 N ILE B 29 7.832 4.260 -4.628 1.00 20.01 N ATOM 854 CA ILE B 29 8.858 5.138 -5.169 1.00 21.60 C ATOM 855 C ILE B 29 9.135 6.236 -4.167 1.00 25.22 C ATOM 856 O ILE B 29 8.236 6.984 -3.785 1.00 27.11 O ATOM 857 CB ILE B 29 8.423 5.726 -6.488 1.00 22.00 C ATOM 858 CG1 ILE B 29 8.109 4.637 -7.551 1.00 23.70 C ATOM 859 CG2 ILE B 29 9.481 6.633 -7.069 1.00 22.26 C ATOM 860 CD1 ILE B 29 9.151 3.577 -7.767 1.00 23.67 C ATOM 861 H ILE B 29 6.835 4.544 -4.717 1.00 0.00 H ATOM 862 N LEU B 30 10.403 6.386 -3.826 1.00 26.17 N ATOM 863 CA LEU B 30 10.901 7.383 -2.893 1.00 24.83 C ATOM 864 C LEU B 30 11.420 8.598 -3.613 1.00 31.77 C ATOM 865 O LEU B 30 11.420 9.690 -3.039 1.00 26.55 O ATOM 866 CB LEU B 30 12.029 6.783 -2.089 1.00 28.18 C ATOM 867 CG LEU B 30 11.614 5.465 -1.415 1.00 31.69 C ATOM 868 CD1 LEU B 30 12.739 4.868 -0.558 1.00 33.12 C ATOM 869 CD2 LEU B 30 10.389 5.682 -0.556 1.00 34.52 C ATOM 870 H LEU B 30 11.097 5.742 -4.258 1.00 0.00 H ATOM 871 N GLU B 31 11.878 8.454 -4.860 1.00 24.11 N ATOM 872 CA GLU B 31 12.546 9.556 -5.542 1.00 25.03 C ATOM 873 C GLU B 31 12.631 9.222 -7.002 1.00 24.26 C ATOM 874 O GLU B 31 12.928 8.052 -7.368 1.00 22.93 O ATOM 875 CB GLU B 31 13.995 9.663 -5.022 1.00 29.39 C ATOM 876 CG GLU B 31 14.654 10.967 -5.393 1.00 43.60 C ATOM 877 CD GLU B 31 15.997 11.153 -4.695 1.00 55.41 C ATOM 878 OE1 GLU B 31 16.371 10.364 -3.777 1.00 60.04 O ATOM 879 OE2 GLU B 31 16.668 12.115 -5.078 1.00 69.66 O ATOM 880 H GLU B 31 11.756 7.545 -5.350 1.00 0.00 H ATOM 881 N LYS B 32 12.411 10.212 -7.864 1.00 22.74 N ATOM 882 CA LYS B 32 12.627 10.072 -9.295 1.00 22.60 C ATOM 883 C LYS B 32 13.794 10.876 -9.877 1.00 24.99 C ATOM 884 O LYS B 32 13.867 12.063 -9.701 1.00 24.86 O ATOM 885 CB LYS B 32 11.330 10.452 -10.027 1.00 23.17 C ATOM 886 CG LYS B 32 10.149 9.507 -9.685 1.00 25.17 C ATOM 887 CD LYS B 32 8.930 9.939 -10.455 1.00 29.37 C ATOM 888 CE LYS B 32 7.739 9.018 -10.163 1.00 31.39 C ATOM 889 NZ LYS B 32 6.536 9.549 -10.846 1.00 33.98 N ATOM 890 HZ1 LYS B 32 6.333 10.506 -10.494 1.00 0.00 H ATOM 891 HZ2 LYS B 32 6.708 9.585 -11.871 1.00 0.00 H ATOM 892 HZ3 LYS B 32 5.725 8.927 -10.651 1.00 0.00 H ATOM 893 H LYS B 32 12.070 11.124 -7.499 1.00 0.00 H ATOM 894 N ASP B 33 14.691 10.179 -10.569 1.00 24.12 N ATOM 895 CA ASP B 33 15.672 10.742 -11.446 1.00 27.73 C ATOM 896 C ASP B 33 15.281 10.425 -12.904 1.00 26.70 C ATOM 897 O ASP B 33 14.242 9.815 -13.199 1.00 26.72 O ATOM 898 CB ASP B 33 17.076 10.188 -11.135 1.00 26.08 C ATOM 899 CG ASP B 33 18.247 11.215 -11.398 1.00 32.04 C ATOM 900 OD1 ASP B 33 18.058 12.194 -12.232 1.00 29.75 O ATOM 901 OD2 ASP B 33 19.369 10.974 -10.808 1.00 30.06 O ATOM 902 H ASP B 33 14.679 9.144 -10.465 1.00 0.00 H ATOM 903 N GLU B 34 16.169 10.778 -13.797 1.00 26.87 N ATOM 904 CA GLU B 34 15.945 10.615 -15.225 1.00 31.05 C ATOM 905 C GLU B 34 16.277 9.176 -15.458 1.00 32.80 C ATOM 906 O GLU B 34 17.372 8.743 -15.166 1.00 33.56 O ATOM 907 CB GLU B 34 16.923 11.489 -15.995 1.00 36.78 C ATOM 908 CG GLU B 34 16.889 11.354 -17.527 1.00 50.99 C ATOM 909 CD GLU B 34 15.799 12.143 -18.279 1.00 60.43 C ATOM 910 OE1 GLU B 34 15.169 13.094 -17.727 1.00 70.28 O ATOM 911 OE2 GLU B 34 15.608 11.808 -19.484 1.00 66.54 O ATOM 912 H GLU B 34 17.068 11.190 -13.474 1.00 0.00 H ATOM 913 N GLY B 35 15.354 8.408 -15.964 1.00 28.00 N ATOM 914 CA GLY B 35 15.680 7.012 -16.252 1.00 27.89 C ATOM 915 C GLY B 35 15.698 6.011 -15.116 1.00 24.15 C ATOM 916 O GLY B 35 15.518 4.852 -15.377 1.00 22.96 O ATOM 917 H GLY B 35 14.403 8.781 -16.159 1.00 0.00 H ATOM 918 N TRP B 36 15.968 6.438 -13.892 1.00 22.56 N ATOM 919 CA TRP B 36 16.123 5.591 -12.734 1.00 19.86 C ATOM 920 C TRP B 36 15.323 6.157 -11.591 1.00 19.87 C ATOM 921 O TRP B 36 15.357 7.380 -11.355 1.00 21.93 O ATOM 922 CB TRP B 36 17.628 5.458 -12.362 1.00 23.60 C ATOM 923 CG TRP B 36 18.372 4.665 -13.367 1.00 24.41 C ATOM 924 CD1 TRP B 36 18.821 5.110 -14.518 1.00 27.56 C ATOM 925 CD2 TRP B 36 18.647 3.283 -13.339 1.00 22.41 C ATOM 926 NE1 TRP B 36 19.321 4.108 -15.260 1.00 26.20 N ATOM 927 CE2 TRP B 36 19.235 2.968 -14.541 1.00 26.31 C ATOM 928 CE3 TRP B 36 18.397 2.277 -12.432 1.00 25.09 C ATOM 929 CZ2 TRP B 36 19.670 1.710 -14.854 1.00 29.91 C ATOM 930 CZ3 TRP B 36 18.794 1.039 -12.716 1.00 27.77 C ATOM 931 CH2 TRP B 36 19.455 0.746 -13.937 1.00 30.70 C ATOM 932 HE1 TRP B 36 19.707 4.195 -16.222 1.00 0.00 H ATOM 933 H TRP B 36 16.077 7.463 -13.755 1.00 0.00 H ATOM 934 N TRP B 37 14.544 5.332 -10.923 1.00 19.02 N ATOM 935 CA TRP B 37 13.745 5.746 -9.777 1.00 21.07 C ATOM 936 C TRP B 37 14.176 4.966 -8.567 1.00 22.33 C ATOM 937 O TRP B 37 14.576 3.798 -8.698 1.00 23.04 O ATOM 938 CB TRP B 37 12.248 5.460 -10.059 1.00 21.59 C ATOM 939 CG TRP B 37 11.611 6.319 -11.110 1.00 22.04 C ATOM 940 CD1 TRP B 37 12.188 7.342 -11.781 1.00 24.24 C ATOM 941 CD2 TRP B 37 10.264 6.216 -11.597 1.00 24.64 C ATOM 942 NE1 TRP B 37 11.301 7.881 -12.679 1.00 26.10 N ATOM 943 CE2 TRP B 37 10.111 7.205 -12.595 1.00 25.21 C ATOM 944 CE3 TRP B 37 9.189 5.322 -11.342 1.00 25.27 C ATOM 945 CZ2 TRP B 37 8.918 7.373 -13.328 1.00 29.30 C ATOM 946 CZ3 TRP B 37 7.995 5.498 -12.038 1.00 31.72 C ATOM 947 CH2 TRP B 37 7.871 6.503 -13.042 1.00 32.53 C ATOM 948 HE1 TRP B 37 11.500 8.675 -13.321 1.00 0.00 H ATOM 949 H TRP B 37 14.497 4.339 -11.227 1.00 0.00 H ATOM 950 N LYS B 38 14.082 5.578 -7.400 1.00 21.92 N ATOM 951 CA LYS B 38 14.490 4.924 -6.180 1.00 22.83 C ATOM 952 C LYS B 38 13.266 4.327 -5.531 1.00 23.10 C ATOM 953 O LYS B 38 12.303 5.026 -5.268 1.00 25.29 O ATOM 954 CB LYS B 38 15.188 5.861 -5.219 1.00 25.38 C ATOM 955 CG LYS B 38 15.900 5.148 -4.077 1.00 29.54 C ATOM 956 CD LYS B 38 16.673 6.176 -3.235 1.00 38.05 C ATOM 957 CE LYS B 38 17.539 5.418 -2.261 1.00 45.32 C ATOM 958 NZ LYS B 38 18.151 6.324 -1.260 1.00 51.37 N ATOM 959 HZ1 LYS B 38 18.741 7.029 -1.747 1.00 0.00 H ATOM 960 HZ2 LYS B 38 17.400 6.807 -0.727 1.00 0.00 H ATOM 961 HZ3 LYS B 38 18.740 5.769 -0.606 1.00 0.00 H ATOM 962 H LYS B 38 13.708 6.547 -7.360 1.00 0.00 H ATOM 963 N GLY B 39 13.291 3.011 -5.322 1.00 20.79 N ATOM 964 CA GLY B 39 12.119 2.307 -4.868 1.00 21.47 C ATOM 965 C GLY B 39 12.414 1.552 -3.616 1.00 24.65 C ATOM 966 O GLY B 39 13.616 1.359 -3.279 1.00 24.69 O ATOM 967 H GLY B 39 14.171 2.483 -5.489 1.00 0.00 H ATOM 968 N GLU B 40 11.333 1.073 -2.995 1.00 24.86 N ATOM 969 CA GLU B 40 11.369 0.273 -1.789 1.00 29.17 C ATOM 970 C GLU B 40 10.377 -0.903 -1.959 1.00 26.57 C ATOM 971 O GLU B 40 9.245 -0.725 -2.395 1.00 26.32 O ATOM 972 CB GLU B 40 11.001 1.194 -0.608 1.00 36.58 C ATOM 973 CG GLU B 40 10.823 0.528 0.738 1.00 48.38 C ATOM 974 CD GLU B 40 9.464 -0.115 0.922 1.00 48.35 C ATOM 975 OE1 GLU B 40 8.486 0.671 0.780 1.00 64.38 O ATOM 976 OE2 GLU B 40 9.413 -1.356 1.221 1.00 62.04 O ATOM 977 H GLU B 40 10.402 1.289 -3.406 1.00 0.00 H ATOM 978 N LEU B 41 10.829 -2.119 -1.668 1.00 28.72 N ATOM 979 CA LEU B 41 9.996 -3.307 -1.802 1.00 30.33 C ATOM 980 C LEU B 41 10.443 -4.239 -0.670 1.00 32.33 C ATOM 981 O LEU B 41 11.631 -4.535 -0.602 1.00 31.55 O ATOM 982 CB LEU B 41 10.317 -3.916 -3.155 1.00 33.09 C ATOM 983 CG LEU B 41 9.708 -5.284 -3.411 1.00 38.06 C ATOM 984 CD1 LEU B 41 8.206 -5.188 -3.444 1.00 38.78 C ATOM 985 CD2 LEU B 41 10.236 -5.851 -4.711 1.00 41.34 C ATOM 986 H LEU B 41 11.808 -2.226 -1.334 1.00 0.00 H ATOM 987 N ASN B 42 9.548 -4.624 0.223 1.00 36.82 N ATOM 988 CA ASN B 42 9.845 -5.620 1.304 1.00 39.32 C ATOM 989 C ASN B 42 11.104 -5.359 2.082 1.00 39.42 C ATOM 990 O ASN B 42 11.953 -6.224 2.307 1.00 33.64 O ATOM 991 CB ASN B 42 9.847 -7.027 0.697 1.00 46.67 C ATOM 992 CG ASN B 42 8.511 -7.358 0.023 1.00 51.94 C ATOM 993 OD1 ASN B 42 7.458 -6.861 0.422 1.00 65.45 O ATOM 994 ND2 ASN B 42 8.549 -8.177 -1.013 1.00 59.01 N ATOM 995 HD22 ASN B 42 9.456 -8.580 -1.324 1.00 0.00 H ATOM 996 HD21 ASN B 42 7.672 -8.419 -1.517 1.00 0.00 H ATOM 997 H ASN B 42 8.592 -4.217 0.174 1.00 0.00 H ATOM 998 N GLY B 43 11.249 -4.100 2.463 1.00 34.10 N ATOM 999 CA GLY B 43 12.330 -3.668 3.253 1.00 33.04 C ATOM 1000 C GLY B 43 13.651 -3.475 2.544 1.00 36.33 C ATOM 1001 O GLY B 43 14.621 -3.225 3.230 1.00 39.72 O ATOM 1002 H GLY B 43 10.536 -3.403 2.167 1.00 0.00 H ATOM 1003 N GLN B 44 13.681 -3.580 1.208 1.00 30.40 N ATOM 1004 CA GLN B 44 14.898 -3.406 0.436 1.00 32.56 C ATOM 1005 C GLN B 44 14.676 -2.144 -0.359 1.00 31.21 C ATOM 1006 O GLN B 44 13.570 -1.966 -0.883 1.00 27.74 O ATOM 1007 CB GLN B 44 15.108 -4.576 -0.478 1.00 35.09 C ATOM 1008 CG GLN B 44 15.270 -5.906 0.254 1.00 42.40 C ATOM 1009 CD GLN B 44 16.620 -6.008 0.908 1.00 49.69 C ATOM 1010 OE1 GLN B 44 16.698 -6.237 2.102 1.00 57.74 O ATOM 1011 NE2 GLN B 44 17.704 -5.785 0.133 1.00 52.61 N ATOM 1012 HE22 GLN B 44 17.587 -5.594 -0.882 1.00 0.00 H ATOM 1013 HE21 GLN B 44 18.656 -5.805 0.552 1.00 0.00 H ATOM 1014 H GLN B 44 12.797 -3.795 0.704 1.00 0.00 H ATOM 1015 N GLU B 45 15.685 -1.282 -0.409 1.00 28.28 N ATOM 1016 CA GLU B 45 15.592 -0.023 -1.136 1.00 35.45 C ATOM 1017 C GLU B 45 16.742 0.090 -2.157 1.00 31.77 C ATOM 1018 O GLU B 45 17.852 -0.331 -1.899 1.00 32.18 O ATOM 1019 CB GLU B 45 15.606 1.079 -0.114 1.00 39.95 C ATOM 1020 CG GLU B 45 15.954 2.432 -0.611 1.00 48.02 C ATOM 1021 CD GLU B 45 16.361 3.317 0.557 1.00 53.53 C ATOM 1022 OE1 GLU B 45 17.330 2.953 1.285 1.00 58.20 O ATOM 1023 OE2 GLU B 45 15.714 4.357 0.724 1.00 53.68 O ATOM 1024 H GLU B 45 16.570 -1.513 0.087 1.00 0.00 H ATOM 1025 N GLY B 46 16.443 0.629 -3.316 1.00 27.49 N ATOM 1026 CA GLY B 46 17.399 0.787 -4.385 1.00 26.23 C ATOM 1027 C GLY B 46 16.823 1.396 -5.628 1.00 22.00 C ATOM 1028 O GLY B 46 15.618 1.449 -5.812 1.00 25.55 O ATOM 1029 H GLY B 46 15.469 0.958 -3.471 1.00 0.00 H ATOM 1030 N TRP B 47 17.720 1.735 -6.525 1.00 21.51 N ATOM 1031 CA TRP B 47 17.416 2.304 -7.801 1.00 21.00 C ATOM 1032 C TRP B 47 16.941 1.231 -8.823 1.00 22.24 C ATOM 1033 O TRP B 47 17.541 0.146 -8.962 1.00 20.47 O ATOM 1034 CB TRP B 47 18.592 3.093 -8.277 1.00 22.95 C ATOM 1035 CG TRP B 47 18.806 4.316 -7.446 1.00 22.72 C ATOM 1036 CD1 TRP B 47 19.630 4.427 -6.348 1.00 25.86 C ATOM 1037 CD2 TRP B 47 18.213 5.605 -7.611 1.00 25.23 C ATOM 1038 NE1 TRP B 47 19.571 5.678 -5.838 1.00 26.04 N ATOM 1039 CE2 TRP B 47 18.730 6.438 -6.591 1.00 25.45 C ATOM 1040 CE3 TRP B 47 17.300 6.145 -8.499 1.00 21.26 C ATOM 1041 CZ2 TRP B 47 18.334 7.770 -6.417 1.00 25.55 C ATOM 1042 CZ3 TRP B 47 16.919 7.489 -8.345 1.00 22.71 C ATOM 1043 CH2 TRP B 47 17.459 8.301 -7.303 1.00 23.27 C ATOM 1044 HE1 TRP B 47 20.089 6.009 -4.999 1.00 0.00 H ATOM 1045 H TRP B 47 18.721 1.579 -6.291 1.00 0.00 H ATOM 1046 N ILE B 48 15.857 1.558 -9.551 1.00 22.08 N ATOM 1047 CA ILE B 48 15.265 0.704 -10.594 1.00 20.25 C ATOM 1048 C ILE B 48 15.169 1.409 -11.914 1.00 21.87 C ATOM 1049 O ILE B 48 15.008 2.669 -11.977 1.00 23.32 O ATOM 1050 CB ILE B 48 13.890 0.206 -10.193 1.00 21.74 C ATOM 1051 CG1 ILE B 48 12.910 1.357 -10.010 1.00 24.74 C ATOM 1052 CG2 ILE B 48 14.009 -0.570 -8.890 1.00 23.65 C ATOM 1053 CD1 ILE B 48 11.502 0.864 -9.767 1.00 26.51 C ATOM 1054 H ILE B 48 15.407 2.477 -9.364 1.00 0.00 H ATOM 1055 N PRO B 49 15.314 0.644 -13.002 1.00 22.57 N ATOM 1056 CA PRO B 49 15.103 1.226 -14.314 1.00 22.75 C ATOM 1057 C PRO B 49 13.643 1.552 -14.553 1.00 21.73 C ATOM 1058 O PRO B 49 12.812 0.667 -14.474 1.00 22.28 O ATOM 1059 CB PRO B 49 15.600 0.146 -15.268 1.00 22.47 C ATOM 1060 CG PRO B 49 15.420 -1.100 -14.531 1.00 22.43 C ATOM 1061 CD PRO B 49 15.577 -0.807 -13.075 1.00 23.31 C ATOM 1062 N ASN B 50 13.327 2.807 -14.818 1.00 21.69 N ATOM 1063 CA ASN B 50 11.932 3.198 -14.847 1.00 23.28 C ATOM 1064 C ASN B 50 11.144 2.682 -16.058 1.00 27.73 C ATOM 1065 O ASN B 50 9.957 2.710 -16.022 1.00 25.22 O ATOM 1066 CB ASN B 50 11.696 4.679 -14.703 1.00 26.02 C ATOM 1067 CG ASN B 50 12.200 5.513 -15.897 1.00 31.00 C ATOM 1068 OD1 ASN B 50 12.692 5.026 -16.885 1.00 33.09 O ATOM 1069 ND2 ASN B 50 12.120 6.794 -15.744 1.00 36.34 N ATOM 1070 HD22 ASN B 50 11.691 7.189 -14.883 1.00 0.00 H ATOM 1071 HD21 ASN B 50 12.484 7.430 -16.482 1.00 0.00 H ATOM 1072 H ASN B 50 14.072 3.508 -15.004 1.00 0.00 H ATOM 1073 N ASN B 51 11.790 2.128 -17.076 1.00 23.47 N ATOM 1074 CA ASN B 51 11.036 1.520 -18.169 1.00 26.18 C ATOM 1075 C ASN B 51 10.683 0.047 -17.886 1.00 25.17 C ATOM 1076 O ASN B 51 10.127 -0.640 -18.695 1.00 25.87 O ATOM 1077 CB ASN B 51 11.781 1.684 -19.482 1.00 27.34 C ATOM 1078 CG ASN B 51 13.168 1.031 -19.458 1.00 25.76 C ATOM 1079 OD1 ASN B 51 13.727 0.765 -18.433 1.00 24.89 O ATOM 1080 ND2 ASN B 51 13.705 0.798 -20.592 1.00 31.09 N ATOM 1081 HD22 ASN B 51 13.197 1.039 -21.467 1.00 0.00 H ATOM 1082 HD21 ASN B 51 14.650 0.367 -20.641 1.00 0.00 H ATOM 1083 H ASN B 51 12.830 2.127 -17.095 1.00 0.00 H ATOM 1084 N TYR B 52 11.058 -0.466 -16.742 1.00 20.12 N ATOM 1085 CA TYR B 52 10.668 -1.817 -16.314 1.00 21.67 C ATOM 1086 C TYR B 52 9.375 -1.862 -15.556 1.00 24.65 C ATOM 1087 O TYR B 52 8.984 -2.941 -15.126 1.00 24.72 O ATOM 1088 CB TYR B 52 11.796 -2.470 -15.455 1.00 21.49 C ATOM 1089 CG TYR B 52 12.844 -3.081 -16.320 1.00 24.24 C ATOM 1090 CD1 TYR B 52 13.483 -2.341 -17.304 1.00 23.85 C ATOM 1091 CD2 TYR B 52 13.225 -4.407 -16.144 1.00 25.74 C ATOM 1092 CE1 TYR B 52 14.463 -2.916 -18.141 1.00 25.20 C ATOM 1093 CE2 TYR B 52 14.152 -4.990 -16.984 1.00 27.25 C ATOM 1094 CZ TYR B 52 14.766 -4.251 -17.956 1.00 30.83 C ATOM 1095 OH TYR B 52 15.723 -4.849 -18.703 1.00 32.70 O ATOM 1096 HH TYR B 52 16.456 -5.157 -18.113 1.00 0.00 H ATOM 1097 H TYR B 52 11.656 0.105 -16.111 1.00 0.00 H ATOM 1098 N VAL B 53 8.756 -0.704 -15.298 1.00 23.32 N ATOM 1099 CA VAL B 53 7.659 -0.616 -14.376 1.00 23.89 C ATOM 1100 C VAL B 53 6.632 0.296 -14.982 1.00 25.19 C ATOM 1101 O VAL B 53 6.940 1.115 -15.816 1.00 24.72 O ATOM 1102 CB VAL B 53 8.054 -0.112 -12.975 1.00 25.55 C ATOM 1103 CG1 VAL B 53 9.203 -0.937 -12.402 1.00 25.64 C ATOM 1104 CG2 VAL B 53 8.503 1.351 -13.019 1.00 25.95 C ATOM 1105 H VAL B 53 9.080 0.159 -15.780 1.00 0.00 H ATOM 1106 N LYS B 54 5.422 0.201 -14.459 1.00 27.94 N ATOM 1107 CA LYS B 54 4.351 1.107 -14.838 1.00 27.16 C ATOM 1108 C LYS B 54 3.712 1.647 -13.595 1.00 22.27 C ATOM 1109 O LYS B 54 3.203 0.893 -12.725 1.00 26.33 O ATOM 1110 CB LYS B 54 3.332 0.371 -15.741 1.00 32.88 C ATOM 1111 CG LYS B 54 2.143 1.252 -16.155 1.00 40.07 C ATOM 1112 CD LYS B 54 1.113 0.384 -16.887 1.00 51.62 C ATOM 1113 CE LYS B 54 -0.202 1.134 -17.161 1.00 57.00 C ATOM 1114 NZ LYS B 54 0.026 2.511 -17.687 1.00 60.65 N ATOM 1115 HZ1 LYS B 54 0.570 3.061 -16.992 1.00 0.00 H ATOM 1116 HZ2 LYS B 54 0.557 2.456 -18.580 1.00 0.00 H ATOM 1117 HZ3 LYS B 54 -0.891 2.973 -17.855 1.00 0.00 H ATOM 1118 H LYS B 54 5.231 -0.542 -13.757 1.00 0.00 H ATOM 1119 N GLU B 55 3.744 2.949 -13.506 1.00 25.04 N ATOM 1120 CA GLU B 55 3.214 3.702 -12.352 1.00 26.44 C ATOM 1121 C GLU B 55 1.658 3.580 -12.317 1.00 29.42 C ATOM 1122 O GLU B 55 1.005 3.673 -13.325 1.00 27.96 O ATOM 1123 CB GLU B 55 3.641 5.170 -12.460 1.00 29.85 C ATOM 1124 CG GLU B 55 3.315 6.044 -11.216 1.00 32.29 C ATOM 1125 CD GLU B 55 3.907 7.415 -11.290 1.00 39.13 C ATOM 1126 OE1 GLU B 55 4.446 7.821 -12.341 1.00 41.75 O ATOM 1127 OE2 GLU B 55 3.803 8.120 -10.293 1.00 37.35 O ATOM 1128 H GLU B 55 4.166 3.485 -14.291 1.00 0.00 H ATOM 1129 N ILE B 56 1.140 3.286 -11.141 1.00 30.22 N ATOM 1130 CA ILE B 56 -0.262 3.054 -10.903 1.00 35.06 C ATOM 1131 C ILE B 56 -1.011 4.437 -10.873 1.00 34.78 C ATOM 1132 O ILE B 56 -0.582 5.360 -10.247 1.00 33.78 O ATOM 1133 CB ILE B 56 -0.382 2.260 -9.596 1.00 34.73 C ATOM 1134 CG1 ILE B 56 0.113 0.824 -9.898 1.00 40.82 C ATOM 1135 CG2 ILE B 56 -1.784 2.376 -8.962 1.00 34.37 C ATOM 1136 CD1 ILE B 56 0.363 0.020 -8.631 1.00 44.31 C ATOM 1137 H ILE B 56 1.787 3.217 -10.330 1.00 0.00 H ATOM 1138 N LEU B 57 -2.085 4.529 -11.637 1.00 38.31 N ATOM 1139 CA LEU B 57 -2.989 5.682 -11.650 1.00 45.01 C ATOM 1140 C LEU B 57 -3.435 6.033 -10.233 1.00 32.88 C ATOM 1141 O LEU B 57 -3.770 5.164 -9.429 1.00 38.57 O ATOM 1142 CB LEU B 57 -4.244 5.259 -12.430 1.00 50.04 C ATOM 1143 CG LEU B 57 -5.397 6.262 -12.602 1.00 50.15 C ATOM 1144 CD1 LEU B 57 -4.928 7.423 -13.513 1.00 56.81 C ATOM 1145 CD2 LEU B 57 -6.650 5.548 -13.127 1.00 51.99 C ATOM 1146 H LEU B 57 -2.303 3.732 -12.269 1.00 0.00 H ATOM 1147 N GLU B 58 -3.306 7.272 -9.873 1.00 34.42 N ATOM 1148 CA GLU B 58 -3.902 7.738 -8.637 1.00 36.93 C ATOM 1149 C GLU B 58 -4.735 9.014 -8.955 1.00 36.69 C ATOM 1150 O GLU B 58 -4.665 9.587 -10.056 1.00 40.97 O ATOM 1151 CB GLU B 58 -2.855 7.982 -7.560 1.00 39.42 C ATOM 1152 CG GLU B 58 -1.710 8.890 -8.011 1.00 41.76 C ATOM 1153 CD GLU B 58 -2.099 10.352 -8.058 1.00 42.05 C ATOM 1154 OE1 GLU B 58 -2.524 10.913 -7.029 1.00 37.13 O ATOM 1155 OE2 GLU B 58 -1.996 10.927 -9.148 1.00 52.60 O ATOM 1156 H GLU B 58 -2.773 7.933 -10.473 1.00 0.00 H ATOM 1157 N HIS B 59 -5.488 9.477 -7.985 1.00 30.24 N ATOM 1158 CA HIS B 59 -6.578 10.411 -8.297 1.00 34.18 C ATOM 1159 C HIS B 59 -6.489 11.708 -7.479 1.00 37.25 C ATOM 1160 O HIS B 59 -7.503 12.370 -7.278 1.00 39.52 O ATOM 1161 CB HIS B 59 -7.896 9.670 -8.014 1.00 32.41 C ATOM 1162 CG HIS B 59 -8.106 8.459 -8.865 1.00 29.42 C ATOM 1163 ND1 HIS B 59 -8.676 8.536 -10.108 1.00 32.20 N ATOM 1164 CD2 HIS B 59 -7.836 7.150 -8.654 1.00 25.13 C ATOM 1165 CE1 HIS B 59 -8.724 7.337 -10.642 1.00 30.75 C ATOM 1166 NE2 HIS B 59 -8.263 6.475 -9.761 1.00 29.67 N ATOM 1167 H HIS B 59 -5.314 9.185 -7.002 1.00 0.00 H ATOM 1168 N HIS B 60 -5.284 12.044 -7.008 1.00 34.19 N ATOM 1169 CA HIS B 60 -5.038 13.211 -6.194 1.00 35.26 C ATOM 1170 C HIS B 60 -4.156 14.203 -6.921 1.00 32.59 C ATOM 1171 O HIS B 60 -4.419 15.385 -6.913 1.00 34.94 O ATOM 1172 CB HIS B 60 -4.373 12.803 -4.870 1.00 41.89 C ATOM 1173 CG HIS B 60 -5.287 12.098 -3.924 1.00 48.93 C ATOM 1174 ND1 HIS B 60 -6.387 12.703 -3.353 1.00 58.29 N ATOM 1175 CD2 HIS B 60 -5.240 10.848 -3.414 1.00 57.83 C ATOM 1176 CE1 HIS B 60 -6.987 11.856 -2.542 1.00 62.42 C ATOM 1177 NE2 HIS B 60 -6.303 10.725 -2.554 1.00 66.73 N ATOM 1178 H HIS B 60 -4.478 11.430 -7.241 1.00 0.00 H ATOM 1179 N HIS B 61 -3.137 13.716 -7.604 1.00 33.12 N ATOM 1180 CA HIS B 61 -2.118 14.562 -8.264 1.00 37.19 C ATOM 1181 C HIS B 61 -2.135 14.506 -9.784 1.00 34.16 C ATOM 1182 O HIS B 61 -1.319 15.101 -10.423 1.00 33.19 O ATOM 1183 CB HIS B 61 -0.740 14.090 -7.788 1.00 43.04 C ATOM 1184 CG HIS B 61 -0.580 14.202 -6.311 1.00 45.37 C ATOM 1185 ND1 HIS B 61 -0.938 15.341 -5.614 1.00 48.73 N ATOM 1186 CD2 HIS B 61 -0.127 13.319 -5.387 1.00 51.07 C ATOM 1187 CE1 HIS B 61 -0.735 15.152 -4.319 1.00 51.87 C ATOM 1188 NE2 HIS B 61 -0.229 13.939 -4.158 1.00 50.13 N ATOM 1189 H HIS B 61 -3.045 12.683 -7.682 1.00 0.00 H ATOM 1190 N HIS B 62 -3.073 13.767 -10.347 1.00 33.06 N ATOM 1191 CA HIS B 62 -3.252 13.740 -11.788 1.00 34.93 C ATOM 1192 C HIS B 62 -4.747 13.839 -12.089 1.00 31.64 C ATOM 1193 O HIS B 62 -5.609 13.470 -11.267 1.00 29.19 O ATOM 1194 CB HIS B 62 -2.701 12.441 -12.376 1.00 39.74 C ATOM 1195 CG HIS B 62 -1.219 12.308 -12.237 1.00 50.83 C ATOM 1196 ND1 HIS B 62 -0.622 11.779 -11.104 1.00 48.39 N ATOM 1197 CD2 HIS B 62 -0.211 12.699 -13.053 1.00 48.22 C ATOM 1198 CE1 HIS B 62 0.690 11.795 -11.262 1.00 50.98 C ATOM 1199 NE2 HIS B 62 0.963 12.351 -12.431 1.00 53.04 N ATOM 1200 H HIS B 62 -3.697 13.192 -9.746 1.00 0.00 H ATOM 1201 N HIS B 63 -5.016 14.336 -13.279 1.00 32.09 N ATOM 1202 CA HIS B 63 -6.323 14.379 -13.827 1.00 31.01 C ATOM 1203 C HIS B 63 -6.301 14.453 -15.334 1.00 34.96 C ATOM 1204 O HIS B 63 -5.334 14.972 -15.908 1.00 31.40 O ATOM 1205 CB HIS B 63 -7.004 15.623 -13.316 1.00 32.87 C ATOM 1206 CG HIS B 63 -8.471 15.616 -13.575 1.00 32.74 C ATOM 1207 ND1 HIS B 63 -9.342 14.872 -12.817 1.00 29.94 N ATOM 1208 CD2 HIS B 63 -9.214 16.222 -14.537 1.00 31.07 C ATOM 1209 CE1 HIS B 63 -10.573 15.064 -13.255 1.00 31.73 C ATOM 1210 NE2 HIS B 63 -10.520 15.866 -14.315 1.00 31.85 N ATOM 1211 H HIS B 63 -4.230 14.716 -13.845 1.00 0.00 H ATOM 1212 N HIS B 64 -7.362 13.960 -15.982 1.00 35.85 N ATOM 1213 CA HIS B 64 -7.521 14.193 -17.433 1.00 45.15 C ATOM 1214 C HIS B 64 -9.030 14.245 -17.843 1.00 40.16 C ATOM 1215 O HIS B 64 -9.933 14.093 -17.010 1.00 38.46 O ATOM 1216 CB HIS B 64 -6.775 13.085 -18.194 1.00 52.81 C ATOM 1217 CG HIS B 64 -7.445 11.774 -18.006 1.00 55.12 C ATOM 1218 ND1 HIS B 64 -7.276 11.040 -16.853 1.00 54.11 N ATOM 1219 CD2 HIS B 64 -8.442 11.182 -18.698 1.00 57.70 C ATOM 1220 CE1 HIS B 64 -8.079 10.003 -16.880 1.00 58.33 C ATOM 1221 NE2 HIS B 64 -8.802 10.068 -17.987 1.00 64.29 N ATOM 1222 OXT HIS B 64 -9.331 14.432 -19.076 1.00 37.51 O ATOM 1223 H HIS B 64 -8.077 13.411 -15.464 1.00 0.00 H TER 1224 HIS B 64 HETATM 1225 O HOH 1 11.739 10.177 -14.193 1.00 31.75 O HETATM 1226 O HOH 2 19.413 8.691 -13.752 1.00 29.43 O HETATM 1227 O HOH 3 -8.007 4.097 -10.577 1.00 37.44 O HETATM 1228 O HOH 4 -5.750 8.172 -5.797 1.00 34.86 O HETATM 1229 O HOH 5 -3.677 10.212 5.563 1.00 43.43 O HETATM 1230 O HOH 6 10.630 -9.677 -5.249 1.00 45.17 O HETATM 1231 O HOH 7 4.760 7.184 -14.860 1.00 44.59 O HETATM 1232 O HOH 8 -8.226 13.296 -10.792 1.00 22.51 O HETATM 1233 O HOH 9 13.087 12.778 -16.061 1.00 38.14 O HETATM 1234 O HOH 10 0.815 -0.300 -13.160 1.00 30.67 O HETATM 1235 O HOH 11 1.040 9.532 -4.798 1.00 45.54 O HETATM 1236 O HOH 12 23.032 -0.652 -14.218 1.00 35.90 O HETATM 1237 O HOH 13 17.541 -6.536 -17.582 1.00 40.51 O HETATM 1238 O HOH 14 18.152 -5.919 -4.864 1.00 35.24 O HETATM 1239 O HOH 15 20.012 11.882 -14.120 1.00 36.04 O HETATM 1240 O HOH 16 8.287 9.717 -4.020 1.00 31.13 O HETATM 1241 O HOH 17 21.397 -4.067 -15.489 1.00 34.56 O HETATM 1242 O HOH 18 3.244 -6.822 -14.575 1.00 36.60 O HETATM 1243 O HOH 19 14.499 -7.068 -3.980 1.00 37.12 O HETATM 1244 O HOH 20 -3.121 11.648 8.620 1.00 43.51 O HETATM 1245 O HOH 21 12.669 -6.730 -1.913 1.00 39.23 O HETATM 1246 O HOH 22 -2.996 2.214 -12.851 1.00 39.23 O HETATM 1247 O HOH 23 -8.168 15.054 -7.489 1.00 41.49 O HETATM 1248 O HOH 24 4.654 -6.731 -4.565 1.00 38.12 O HETATM 1249 O HOH 25 6.313 -1.378 -1.812 1.00 37.52 O HETATM 1250 O HOH 26 24.064 1.789 -10.648 1.00 46.97 O HETATM 1251 O HOH 27 15.810 -10.429 -13.379 1.00 48.19 O HETATM 1252 O HOH 28 1.100 5.812 -7.991 1.00 33.71 O HETATM 1253 O HOH 29 5.001 4.599 -15.465 1.00 30.83 O HETATM 1254 O HOH 30 -5.197 11.224 -14.858 1.00 39.81 O HETATM 1255 O HOH 31 6.953 10.518 -13.544 1.00 48.03 O HETATM 1256 O HOH 32 9.482 -12.390 -12.487 1.00 36.62 O HETATM 1257 O HOH 33 17.970 -7.952 -15.246 1.00 36.01 O HETATM 1258 O HOH 34 19.771 11.143 -4.753 1.00 45.08 O HETATM 1259 O HOH 35 4.139 -7.357 -18.221 1.00 46.57 O HETATM 1260 O HOH 36 27.925 -2.551 -5.351 1.00 39.63 O HETATM 1261 O HOH 37 3.555 10.850 -12.664 1.00 44.18 O HETATM 1262 O HOH 38 -6.381 10.567 -12.386 1.00 45.94 O HETATM 1263 O HOH 39 20.401 2.982 -3.140 1.00 44.85 O HETATM 1264 O HOH 40 0.921 -2.567 -15.048 1.00 41.07 O HETATM 1265 O HOH 41 10.980 13.619 17.323 1.00 42.74 O HETATM 1266 O HOH 42 -5.568 2.537 13.264 1.00 49.24 O HETATM 1267 O HOH 43 15.355 3.825 7.476 1.00 43.37 O HETATM 1268 O HOH 44 -1.317 2.593 5.127 1.00 40.90 O HETATM 1269 O HOH 45 -5.773 19.302 6.485 1.00 39.15 O HETATM 1270 O HOH 46 0.939 14.100 17.696 1.00 40.04 O HETATM 1271 O HOH 47 -4.646 17.870 13.476 1.00 34.04 O HETATM 1272 O HOH 48 -5.575 -2.868 15.685 1.00 47.81 O HETATM 1273 O HOH 49 -4.270 6.479 18.486 1.00 33.43 O HETATM 1274 O HOH 50 -2.487 3.871 7.193 1.00 42.56 O HETATM 1275 O HOH 51 4.941 12.723 7.048 1.00 41.49 O HETATM 1276 O HOH 52 -2.853 7.865 8.172 1.00 36.34 O HETATM 1277 O HOH 53 -5.137 8.924 8.603 1.00 46.31 O HETATM 1278 O HOH 54 19.657 -3.779 -20.298 1.00 47.47 O HETATM 1279 N LYS A 55 8.334 -10.866 -25.410 1.00 0.24 N HETATM 1280 CA LYS A 55 8.642 -11.052 -23.943 1.00 0.07 C HETATM 1281 C LYS A 55 10.102 -10.645 -23.647 1.00 0.23 C HETATM 1282 O LYS A 55 10.764 -11.199 -22.777 1.00 -0.39 O HETATM 1283 N LYS A 55 10.573 -9.645 -24.376 1.00 -0.26 N HETATM 1284 CA LYS A 55 11.955 -9.192 -24.285 1.00 0.13 C HETATM 1285 C LYS A 55 12.024 -7.973 -23.332 1.00 0.20 C HETATM 1286 O LYS A 55 11.361 -6.959 -23.560 1.00 -0.39 O HETATM 1287 N LYS A 55 12.904 -7.995 -22.344 1.00 -0.26 N HETATM 1288 CA LYS A 55 13.048 -6.818 -21.472 1.00 0.13 C HETATM 1289 C LYS A 55 13.662 -5.673 -22.265 1.00 0.21 C HETATM 1290 O LYS A 55 14.334 -5.911 -23.262 1.00 -0.39 O HETATM 1291 N LYS A 55 13.299 -4.395 -21.957 1.00 -0.25 N HETATM 1292 CA LYS A 55 13.975 -3.445 -22.837 1.00 0.13 C HETATM 1293 C LYS A 55 15.379 -3.207 -22.251 1.00 0.21 C HETATM 1294 O LYS A 55 15.714 -3.759 -21.240 1.00 -0.39 O HETATM 1295 N LYS A 55 16.211 -2.449 -22.927 1.00 -0.25 N HETATM 1296 CA LYS A 55 17.490 -2.130 -22.332 1.00 0.13 C HETATM 1297 C LYS A 55 17.286 -1.134 -21.241 1.00 0.20 C HETATM 1298 O LYS A 55 16.353 -0.362 -21.266 1.00 -0.39 O HETATM 1299 N LYS A 55 18.156 -1.151 -20.261 1.00 -0.26 N HETATM 1300 CA LYS A 55 17.987 -0.251 -19.193 1.00 0.13 C HETATM 1301 C LYS A 55 18.294 1.156 -19.748 1.00 0.21 C HETATM 1302 O LYS A 55 18.983 1.330 -20.720 1.00 -0.39 O HETATM 1303 N LYS A 55 17.792 2.179 -19.075 1.00 -0.25 N HETATM 1304 CA LYS A 55 18.065 3.544 -19.484 1.00 0.13 C HETATM 1305 C LYS A 55 19.564 3.823 -19.370 1.00 0.20 C HETATM 1306 O LYS A 55 20.131 3.625 -18.299 1.00 -0.39 O HETATM 1307 N LYS A 55 20.169 4.238 -20.485 1.00 -0.26 N HETATM 1308 CA LYS A 55 21.615 4.539 -20.559 1.00 0.14 C HETATM 1309 C LYS A 55 21.936 5.763 -19.787 1.00 0.21 C HETATM 1310 O LYS A 55 22.141 6.887 -20.384 1.00 -0.39 O HETATM 1311 N LYS A 55 22.002 5.583 -18.474 1.00 -0.27 N HETATM 1312 CA LYS A 55 22.023 6.729 -17.604 1.00 0.09 C HETATM 1313 C LYS A 55 22.537 6.323 -16.250 1.00 0.06 C HETATM 1314 O LYS A 55 23.296 5.355 -16.154 1.00 -0.57 O HETATM 1315 OXT LYS A 55 22.193 6.963 -15.253 1.00 -0.57 O HETATM 1316 CB LYS A 55 20.602 7.276 -17.506 1.00 -0.01 C HETATM 1317 CG LYS A 55 19.969 7.584 -18.880 1.00 -0.02 C HETATM 1318 CD LYS A 55 18.629 6.996 -18.985 1.00 0.06 C HETATM 1319 NE LYS A 55 17.570 7.961 -19.163 1.00 -0.27 N HETATM 1320 CZ LYS A 55 16.484 7.787 -19.934 1.00 0.29 C HETATM 1321 NH1 LYS A 55 15.548 8.733 -19.965 1.00 -0.28 N HETATM 1322 H78 LYS A 55 14.711 8.610 -20.553 1.00 0.26 H HETATM 1323 H79 LYS A 55 15.661 9.588 -19.401 1.00 0.26 H HETATM 1324 NH2 LYS A 55 16.306 6.688 -20.693 1.00 -0.28 N HETATM 1325 H80 LYS A 55 17.014 5.939 -20.689 1.00 0.26 H HETATM 1326 H81 LYS A 55 15.462 6.596 -21.277 1.00 0.26 H HETATM 1327 H77 LYS A 55 17.654 8.855 -18.658 1.00 0.26 H HETATM 1328 H75 LYS A 55 18.428 6.430 -18.064 1.00 0.07 H HETATM 1329 H76 LYS A 55 18.619 6.311 -19.846 1.00 0.07 H HETATM 1330 H73 LYS A 55 20.608 7.167 -19.672 1.00 0.03 H HETATM 1331 H74 LYS A 55 19.894 8.674 -19.005 1.00 0.03 H HETATM 1332 H71 LYS A 55 20.625 8.204 -16.917 1.00 0.03 H HETATM 1333 H72 LYS A 55 19.976 6.531 -16.992 1.00 0.03 H HETATM 1334 H70 LYS A 55 22.684 7.501 -18.024 1.00 0.07 H HETATM 1335 H69 LYS A 55 22.037 4.659 -18.093 1.00 0.19 H HETATM 1336 CB LYS A 55 22.062 4.837 -21.985 1.00 0.04 C HETATM 1337 CG LYS A 55 22.457 3.636 -22.752 1.00 0.06 C HETATM 1338 ND1 LYS A 55 22.804 2.439 -22.156 1.00 -0.26 N HETATM 1339 CE1 LYS A 55 23.125 1.566 -23.091 1.00 0.09 C HETATM 1340 NE2 LYS A 55 23.016 2.161 -24.267 1.00 -0.34 N HETATM 1341 CD2 LYS A 55 22.605 3.458 -24.081 1.00 -0.03 C HETATM 1342 H67 LYS A 55 22.432 4.201 -24.858 1.00 0.03 H HETATM 1343 H68 LYS A 55 23.428 0.533 -22.924 1.00 0.11 H HETATM 1344 H66 LYS A 55 22.811 2.257 -21.142 1.00 0.24 H HETATM 1345 H64 LYS A 55 22.924 5.520 -21.942 1.00 0.05 H HETATM 1346 H65 LYS A 55 21.231 5.327 -22.513 1.00 0.05 H HETATM 1347 H63 LYS A 55 22.177 3.681 -20.161 1.00 0.08 H HETATM 1348 H62 LYS A 55 19.617 4.351 -21.311 1.00 0.19 H HETATM 1349 CB LYS A 55 17.258 4.371 -18.436 1.00 -0.01 C HETATM 1350 CG LYS A 55 16.088 3.520 -18.113 1.00 -0.03 C HETATM 1351 CD LYS A 55 16.575 2.092 -18.234 1.00 0.04 C HETATM 1352 H60 LYS A 55 16.817 1.679 -17.243 1.00 0.05 H HETATM 1353 H61 LYS A 55 15.814 1.462 -18.718 1.00 0.05 H HETATM 1354 H58 LYS A 55 15.269 3.708 -18.823 1.00 0.03 H HETATM 1355 H59 LYS A 55 15.739 3.721 -17.090 1.00 0.03 H HETATM 1356 H56 LYS A 55 16.934 5.331 -18.864 1.00 0.03 H HETATM 1357 H57 LYS A 55 17.864 4.556 -17.537 1.00 0.03 H HETATM 1358 H55 LYS A 55 17.720 3.743 -20.509 1.00 0.08 H HETATM 1359 CB LYS A 55 18.851 -0.608 -17.960 1.00 -0.00 C HETATM 1360 CG1 LYS A 55 20.368 -0.550 -18.316 1.00 -0.05 C HETATM 1361 CD1 LYS A 55 21.324 -0.890 -17.178 1.00 -0.06 C HETATM 1362 H52 LYS A 55 22.361 -0.818 -17.537 1.00 0.02 H HETATM 1363 H53 LYS A 55 21.127 -1.914 -16.827 1.00 0.02 H HETATM 1364 H54 LYS A 55 21.173 -0.183 -16.349 1.00 0.02 H HETATM 1365 H47 LYS A 55 20.597 0.470 -18.657 1.00 0.03 H HETATM 1366 H48 LYS A 55 20.551 -1.260 -19.136 1.00 0.03 H HETATM 1367 CG2 LYS A 55 18.425 -1.956 -17.409 1.00 -0.06 C HETATM 1368 H49 LYS A 55 17.350 -1.934 -17.178 1.00 0.02 H HETATM 1369 H50 LYS A 55 18.993 -2.174 -16.492 1.00 0.02 H HETATM 1370 H51 LYS A 55 18.623 -2.737 -18.157 1.00 0.02 H HETATM 1371 H46 LYS A 55 18.665 0.146 -17.181 1.00 0.03 H HETATM 1372 H45 LYS A 55 16.934 -0.280 -18.875 1.00 0.08 H HETATM 1373 H44 LYS A 55 18.924 -1.791 -20.272 1.00 0.19 H HETATM 1374 CB LYS A 55 18.278 -1.504 -23.504 1.00 -0.01 C HETATM 1375 CG LYS A 55 17.254 -1.071 -24.471 1.00 -0.03 C HETATM 1376 CD LYS A 55 16.179 -2.101 -24.346 1.00 0.04 C HETATM 1377 H42 LYS A 55 15.200 -1.685 -24.628 1.00 0.05 H HETATM 1378 H43 LYS A 55 16.399 -2.978 -24.972 1.00 0.05 H HETATM 1379 H40 LYS A 55 17.663 -1.055 -25.492 1.00 0.03 H HETATM 1380 H41 LYS A 55 16.870 -0.073 -24.213 1.00 0.03 H HETATM 1381 H38 LYS A 55 18.948 -2.248 -23.959 1.00 0.03 H HETATM 1382 H39 LYS A 55 18.868 -0.643 -23.156 1.00 0.03 H HETATM 1383 H37 LYS A 55 17.994 -3.026 -21.941 1.00 0.08 H HETATM 1384 CB LYS A 55 13.086 -2.254 -22.825 1.00 -0.01 C HETATM 1385 CG LYS A 55 12.267 -2.368 -21.599 1.00 -0.03 C HETATM 1386 CD LYS A 55 12.029 -3.858 -21.495 1.00 0.04 C HETATM 1387 H35 LYS A 55 11.820 -4.159 -20.458 1.00 0.05 H HETATM 1388 H36 LYS A 55 11.200 -4.177 -22.143 1.00 0.05 H HETATM 1389 H33 LYS A 55 11.318 -1.821 -21.704 1.00 0.03 H HETATM 1390 H34 LYS A 55 12.812 -1.991 -20.721 1.00 0.03 H HETATM 1391 H31 LYS A 55 12.441 -2.250 -23.716 1.00 0.03 H HETATM 1392 H32 LYS A 55 13.684 -1.331 -22.800 1.00 0.03 H HETATM 1393 H30 LYS A 55 14.068 -3.836 -23.861 1.00 0.08 H HETATM 1394 CB LYS A 55 13.849 -7.166 -20.242 1.00 -0.02 C HETATM 1395 H27 LYS A 55 13.946 -6.276 -19.604 1.00 0.03 H HETATM 1396 H28 LYS A 55 14.849 -7.513 -20.542 1.00 0.03 H HETATM 1397 H29 LYS A 55 13.336 -7.963 -19.684 1.00 0.03 H HETATM 1398 H26 LYS A 55 12.046 -6.505 -21.143 1.00 0.08 H HETATM 1399 H25 LYS A 55 13.468 -8.806 -22.191 1.00 0.19 H HETATM 1400 CB LYS A 55 12.430 -8.903 -25.713 1.00 -0.01 C HETATM 1401 CG1 LYS A 55 13.837 -8.338 -25.721 1.00 -0.06 C HETATM 1402 H19 LYS A 55 14.148 -8.142 -26.758 1.00 0.02 H HETATM 1403 H20 LYS A 55 14.526 -9.063 -25.263 1.00 0.02 H HETATM 1404 H21 LYS A 55 13.858 -7.399 -25.148 1.00 0.02 H HETATM 1405 CG2 LYS A 55 12.445 -10.207 -26.545 1.00 -0.06 C HETATM 1406 H22 LYS A 55 11.436 -10.644 -26.560 1.00 0.02 H HETATM 1407 H23 LYS A 55 13.148 -10.922 -26.093 1.00 0.02 H HETATM 1408 H24 LYS A 55 12.762 -9.982 -27.574 1.00 0.02 H HETATM 1409 H18 LYS A 55 11.744 -8.179 -26.176 1.00 0.03 H HETATM 1410 H17 LYS A 55 12.580 -9.993 -23.864 1.00 0.08 H HETATM 1411 H16 LYS A 55 9.957 -9.183 -25.014 1.00 0.19 H HETATM 1412 CB LYS A 55 8.346 -12.497 -23.506 1.00 0.01 C HETATM 1413 CG LYS A 55 8.416 -13.526 -24.645 1.00 -0.04 C HETATM 1414 CD LYS A 55 7.947 -14.901 -24.201 1.00 -0.01 C HETATM 1415 CE LYS A 55 7.099 -15.515 -25.308 1.00 -0.04 C HETATM 1416 NZ LYS A 55 7.520 -16.900 -25.608 1.00 0.22 N HETATM 1417 H13 LYS A 55 6.941 -17.276 -26.342 1.00 0.20 H HETATM 1418 H14 LYS A 55 7.423 -17.467 -24.780 1.00 0.20 H HETATM 1419 H15 LYS A 55 8.483 -16.901 -25.906 1.00 0.20 H HETATM 1420 H11 LYS A 55 7.202 -14.905 -26.218 1.00 0.08 H HETATM 1421 H12 LYS A 55 6.046 -15.523 -24.989 1.00 0.08 H HETATM 1422 H9 LYS A 55 7.346 -14.808 -23.284 1.00 0.03 H HETATM 1423 H10 LYS A 55 8.819 -15.543 -24.005 1.00 0.03 H HETATM 1424 H7 LYS A 55 9.457 -13.601 -24.992 1.00 0.03 H HETATM 1425 H8 LYS A 55 7.777 -13.183 -25.473 1.00 0.03 H HETATM 1426 H5 LYS A 55 7.334 -12.527 -23.076 1.00 0.03 H HETATM 1427 H6 LYS A 55 9.080 -12.782 -22.738 1.00 0.03 H HETATM 1428 H4 LYS A 55 7.983 -10.385 -23.368 1.00 0.11 H HETATM 1429 H1 LYS A 55 7.379 -11.135 -25.590 1.00 0.20 H HETATM 1430 H2 LYS A 55 8.954 -11.441 -25.959 1.00 0.20 H HETATM 1431 H3 LYS A 55 8.463 -9.898 -25.660 1.00 0.20 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 573 574 578 579 580 CONECT 578 573 CONECT 579 573 CONECT 580 573 CONECT 1279 1280 1429 1430 1431 CONECT 1280 1279 1281 1412 1428 CONECT 1281 1280 1282 1283 CONECT 1282 1281 CONECT 1283 1281 1284 1411 CONECT 1284 1283 1285 1400 1410 CONECT 1285 1284 1286 1287 CONECT 1286 1285 CONECT 1287 1285 1288 1399 CONECT 1288 1287 1289 1394 1398 CONECT 1289 1288 1290 1291 CONECT 1290 1289 CONECT 1291 1289 1292 1386 CONECT 1292 1291 1293 1384 1393 CONECT 1293 1292 1294 1295 CONECT 1294 1293 CONECT 1295 1293 1296 1376 CONECT 1296 1295 1297 1374 1383 CONECT 1297 1296 1298 1299 CONECT 1298 1297 CONECT 1299 1297 1300 1373 CONECT 1300 1299 1301 1359 1372 CONECT 1301 1300 1302 1303 CONECT 1302 1301 CONECT 1303 1301 1304 1351 CONECT 1304 1303 1305 1349 1358 CONECT 1305 1304 1306 1307 CONECT 1306 1305 CONECT 1307 1305 1308 1348 CONECT 1308 1307 1309 1336 1347 CONECT 1309 1308 1310 1311 CONECT 1310 1309 CONECT 1311 1309 1312 1335 CONECT 1312 1311 1313 1316 1334 CONECT 1313 1312 1314 1315 CONECT 1314 1313 CONECT 1315 1313 CONECT 1316 1312 1317 1332 1333 CONECT 1317 1316 1318 1330 1331 CONECT 1318 1317 1319 1328 1329 CONECT 1319 1318 1320 1327 CONECT 1320 1319 1321 1324 CONECT 1321 1320 1322 1323 CONECT 1322 1321 CONECT 1323 1321 CONECT 1324 1320 1325 1326 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1319 CONECT 1328 1318 CONECT 1329 1318 CONECT 1330 1317 CONECT 1331 1317 CONECT 1332 1316 CONECT 1333 1316 CONECT 1334 1312 CONECT 1335 1311 CONECT 1336 1308 1337 1345 1346 CONECT 1337 1336 1338 1341 CONECT 1338 1337 1339 1344 CONECT 1339 1338 1340 1343 CONECT 1340 1339 1341 CONECT 1341 1337 1340 1342 CONECT 1342 1341 CONECT 1343 1339 CONECT 1344 1338 CONECT 1345 1336 CONECT 1346 1336 CONECT 1347 1308 CONECT 1348 1307 CONECT 1349 1304 1350 1356 1357 CONECT 1350 1349 1351 1354 1355 CONECT 1351 1303 1350 1352 1353 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1350 CONECT 1355 1350 CONECT 1356 1349 CONECT 1357 1349 CONECT 1358 1304 CONECT 1359 1300 1360 1367 1371 CONECT 1360 1359 1361 1365 1366 CONECT 1361 1360 1362 1363 1364 CONECT 1362 1361 CONECT 1363 1361 CONECT 1364 1361 CONECT 1365 1360 CONECT 1366 1360 CONECT 1367 1359 1368 1369 1370 CONECT 1368 1367 CONECT 1369 1367 CONECT 1370 1367 CONECT 1371 1359 CONECT 1372 1300 CONECT 1373 1299 CONECT 1374 1296 1375 1381 1382 CONECT 1375 1374 1376 1379 1380 CONECT 1376 1295 1375 1377 1378 CONECT 1377 1376 CONECT 1378 1376 CONECT 1379 1375 CONECT 1380 1375 CONECT 1381 1374 CONECT 1382 1374 CONECT 1383 1296 CONECT 1384 1292 1385 1391 1392 CONECT 1385 1384 1386 1389 1390 CONECT 1386 1291 1385 1387 1388 CONECT 1387 1386 CONECT 1388 1386 CONECT 1389 1385 CONECT 1390 1385 CONECT 1391 1384 CONECT 1392 1384 CONECT 1393 1292 CONECT 1394 1288 1395 1396 1397 CONECT 1395 1394 CONECT 1396 1394 CONECT 1397 1394 CONECT 1398 1288 CONECT 1399 1287 CONECT 1400 1284 1401 1405 1409 CONECT 1401 1400 1402 1403 1404 CONECT 1402 1401 CONECT 1403 1401 CONECT 1404 1401 CONECT 1405 1400 1406 1407 1408 CONECT 1406 1405 CONECT 1407 1405 CONECT 1408 1405 CONECT 1409 1400 CONECT 1410 1284 CONECT 1411 1283 CONECT 1412 1280 1413 1426 1427 CONECT 1413 1412 1414 1424 1425 CONECT 1414 1413 1415 1422 1423 CONECT 1415 1414 1416 1420 1421 CONECT 1416 1415 1417 1418 1419 CONECT 1417 1416 CONECT 1418 1416 CONECT 1419 1416 CONECT 1420 1415 CONECT 1421 1415 CONECT 1422 1414 CONECT 1423 1414 CONECT 1424 1413 CONECT 1425 1413 CONECT 1426 1412 CONECT 1427 1412 CONECT 1428 1280 CONECT 1429 1279 CONECT 1430 1279 CONECT 1431 1279 MASTER 0 0 0 0 0 0 0 0 1429 2 161 11 END
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1f90
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PDBbind
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1oy7
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1pcg
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2lnw
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PDBbind
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4uu7
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4yoz
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9-mer
5e4w
RCSB PDB
PDBbind
9-mer
5eel
RCSB PDB
PDBbind
9-mer
5eok
RCSB PDB
PDBbind
9-mer
5fjw
RCSB PDB
PDBbind
9-mer
5gu4
RCSB PDB
PDBbind
9-mer
5hda
RCSB PDB
PDBbind
9-mer
5heb
RCSB PDB
PDBbind
9-mer
5hed
RCSB PDB
PDBbind
9-mer
5hey
RCSB PDB
PDBbind
9-mer
5hf1
RCSB PDB
PDBbind
9-mer
5hfb
RCSB PDB
PDBbind
9-mer
5hfc
RCSB PDB
PDBbind
9-mer
5hff
RCSB PDB
PDBbind
9-mer
5hjc
RCSB PDB
PDBbind
9-mer
5hkh
RCSB PDB
PDBbind
9-mer
5i8c
RCSB PDB
PDBbind
9-mer
5isz
RCSB PDB
PDBbind
9-mer
5jhd
RCSB PDB
PDBbind
9-mer
5lb7
RCSB PDB
PDBbind
9-mer
5lgs
RCSB PDB
PDBbind
9-mer
5nme
RCSB PDB
PDBbind
9-mer
5nmf
RCSB PDB
PDBbind
9-mer
5nmg
RCSB PDB
PDBbind
9-mer
5npr
RCSB PDB
PDBbind
9-mer
5nps
RCSB PDB
PDBbind
9-mer
5swf
RCSB PDB
PDBbind
9-mer
5u98
RCSB PDB
PDBbind
9-mer
5w1v
RCSB PDB
PDBbind
9-mer
5w1w
RCSB PDB
PDBbind
9-mer
5w7x
RCSB PDB
PDBbind
9-mer
5yc3
RCSB PDB
PDBbind
9-mer
5yc4
RCSB PDB
PDBbind
9-mer
5ygf
RCSB PDB
PDBbind
9-mer
5yvx
RCSB PDB
PDBbind
9-mer
5yy4
RCSB PDB
PDBbind
9-mer
5zia
RCSB PDB
PDBbind
9-mer
6bj2
RCSB PDB
PDBbind
9-mer
6bj3
RCSB PDB
PDBbind
9-mer
6c4u
RCSB PDB
PDBbind
9-mer
6evm
RCSB PDB
PDBbind
9-mer
6evn
RCSB PDB
PDBbind
9-mer
6evo
RCSB PDB
PDBbind
9-mer
6evp
RCSB PDB
PDBbind
9-mer
6fdp
RCSB PDB
PDBbind
9-mer
6fdt
RCSB PDB
PDBbind
9-mer
6qts
RCSB PDB
PDBbind
9-mer
6qtq
RCSB PDB
PDBbind
9-mer
6q38
RCSB PDB
PDBbind
9-mer
6o9c
RCSB PDB
PDBbind
9-mer
6o9b
RCSB PDB
PDBbind
9-mer
6ncp
RCSB PDB
PDBbind
9-mer
6mt6
RCSB PDB
PDBbind
9-mer
6mt5
RCSB PDB
PDBbind
9-mer
6mt4
RCSB PDB
PDBbind
9-mer
6i7a
RCSB PDB
PDBbind
9-mer
6i68
RCSB PDB
PDBbind
9-mer
6i5p
RCSB PDB
PDBbind
9-mer
6i41
RCSB PDB
PDBbind
9-mer
6hlb
RCSB PDB
PDBbind
9-mer
6eqa
RCSB PDB
PDBbind
9-mer
6d78
RCSB PDB
PDBbind
9-mer
6aee
RCSB PDB
PDBbind
9-mer
5y5w
RCSB PDB
PDBbind
9-mer
5wlg
RCSB PDB
PDBbind
9-mer
5u1q
RCSB PDB
PDBbind
9-mer
5u06
RCSB PDB
PDBbind
9-mer
5tyi
RCSB PDB
PDBbind
9-mer
5iza
RCSB PDB
PDBbind
9-mer
5iz9
RCSB PDB
PDBbind
9-mer
5iz6
RCSB PDB
PDBbind
9-mer
5b6g
RCSB PDB
PDBbind
9-mer
Entry Information
PDB ID
6a9c
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Unconventional myosin IB
Ligand Name
9-mer
EC.Number
E.C.-.-.-.-
Resolution
1.98(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8mM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
4
7
H
8
2
N
1
5
O
1
0
Molecular Weight
1017.250
Exact Mass
1016.640
No. of atoms
154
No. of bonds
157
Polar Surface Area
393.7
LOGP Value
-0.51 (
Computed with XLOGP3
)
-2.52 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 8
No. of Hydrogen Bond Acceptors: 11
No. of Rotatable Bonds: 34
No. of Nitrogen and Oxygen Atoms: 25
No. of Rings: 4
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CCC[NH+]=C(N)N)Cc1cnc[nH]1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCC[NH3+])[NH3+])C)C
InChI String
InChI=1S/C47H79N15O10/c1-6-27(4)37(45(70)61-21-11-15-33(61)40(65)57-32(23-29-24-52-25-54-29)39(64)56-31(46(71)72)14-9-19-53-47(50)51)59-41(66)34-16-10-20-60(34)44(69)35-17-12-22-62(35)43(68)28(5)55-42(67)36(26(2)3)58-38(63)30(49)13-7-8-18-48/h24-28,30-37H,6-23,48-49H2,1-5H3,(H,52,54)(H,55,67)(H,56,64)(H,57,65)(H,58,63)(H,59,66)(H,71,72)(H4,50,51,53)/p+3/t27-,28-,30-,31-,32-,33-,34-,35-,36-,37-/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):
C4LUC7
C4M4E9
Entrez Gene ID
NCBI Entrez Gene ID:
3408581
3405741
ASD
Information of known allosteric effects of PDB entries
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