Browse entries in the PDBbind-CN Database
HEADER 5WOU_COMPLEX COMPND 5WOU_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 95 SER ARG LEU GLU GLN TYR GLU ILE HIS ILE GLU ARG THR SEQRES 2 A 95 ALA ALA GLY LEU GLY LEU SER ILE ALA GLY GLY LYS GLY SEQRES 3 A 95 SER THR PRO PHE LYS GLY ASP ASP ASP GLY ILE PHE ILE SEQRES 4 A 95 SER ARG VAL THR GLU ALA GLY PRO ALA ASP LEU ALA GLY SEQRES 5 A 95 LEU LYS VAL GLY ASP LYS VAL ILE LYS VAL ASN GLY ILE SEQRES 6 A 95 VAL VAL VAL ASP ALA ASP HIS TYR GLN ALA VAL GLN VAL SEQRES 7 A 95 LEU LYS ALA CYS GLY ALA VAL LEU VAL LEU VAL VAL GLN SEQRES 8 A 95 ARG GLU VAL THR HET LEU A 230 125 ATOM 1 N SER A 0 8.543 5.911 25.918 1.00 32.01 N ATOM 2 CA SER A 0 9.586 6.839 26.438 1.00 29.76 C ATOM 3 C SER A 0 9.607 6.837 27.964 1.00 28.41 C ATOM 4 O SER A 0 8.637 7.232 28.609 1.00 26.65 O ATOM 5 CB SER A 0 9.345 8.256 25.916 1.00 29.97 C ATOM 6 OG SER A 0 10.441 9.103 26.214 1.00 28.38 O ATOM 7 HG SER A 0 10.259 10.012 25.866 1.00 0.00 H ATOM 8 HN3 SER A 0 7.610 6.211 26.266 1.00 0.00 H ATOM 9 HN2 SER A 0 8.744 4.946 26.248 1.00 0.00 H ATOM 10 HN1 SER A 0 8.550 5.931 24.878 1.00 0.00 H ATOM 11 N ARG A 1 10.722 6.383 28.532 1.00 22.69 N ATOM 12 CA ARG A 1 10.896 6.364 29.978 1.00 20.15 C ATOM 13 C ARG A 1 11.297 7.741 30.481 1.00 17.21 C ATOM 14 O ARG A 1 12.140 8.412 29.881 1.00 13.51 O ATOM 15 CB ARG A 1 11.980 5.365 30.382 1.00 23.88 C ATOM 16 CG ARG A 1 11.535 3.931 30.547 1.00 27.65 C ATOM 17 CD ARG A 1 12.690 3.010 30.210 1.00 28.78 C ATOM 18 NE ARG A 1 13.870 3.317 31.017 1.00 29.88 N ATOM 19 CZ ARG A 1 15.126 3.242 30.583 1.00 27.61 C ATOM 20 NH1 ARG A 1 15.395 2.883 29.333 1.00 29.69 N ATOM 21 NH2 ARG A 1 16.124 3.539 31.400 1.00 27.72 N ATOM 22 HE ARG A 1 13.717 3.616 32.001 1.00 0.00 H ATOM 23 HH12 ARG A 1 16.382 2.829 29.008 1.00 0.00 H ATOM 24 HH11 ARG A 1 14.619 2.656 28.679 1.00 0.00 H ATOM 25 HH22 ARG A 1 17.106 3.481 31.063 1.00 0.00 H ATOM 26 HH21 ARG A 1 15.926 3.830 32.379 1.00 0.00 H ATOM 27 H ARG A 1 11.491 6.032 27.926 1.00 0.00 H ATOM 28 N LEU A 2 10.702 8.149 31.598 1.00 10.72 N ATOM 29 CA LEU A 2 11.204 9.281 32.368 1.00 11.55 C ATOM 30 C LEU A 2 12.159 8.733 33.423 1.00 17.11 C ATOM 31 O LEU A 2 11.736 8.056 34.365 1.00 19.27 O ATOM 32 CB LEU A 2 10.063 10.064 33.012 1.00 16.34 C ATOM 33 CG LEU A 2 10.460 11.434 33.567 1.00 21.42 C ATOM 34 CD1 LEU A 2 10.966 12.344 32.458 1.00 21.93 C ATOM 35 CD2 LEU A 2 9.287 12.080 34.290 1.00 24.48 C ATOM 36 H LEU A 2 9.855 7.647 31.932 1.00 0.00 H ATOM 37 N GLU A 3 13.446 9.011 33.258 1.00 20.70 N ATOM 38 CA GLU A 3 14.467 8.536 34.176 1.00 15.40 C ATOM 39 C GLU A 3 15.029 9.702 34.975 1.00 15.20 C ATOM 40 O GLU A 3 14.937 10.864 34.571 1.00 13.98 O ATOM 41 CB GLU A 3 15.590 7.819 33.419 1.00 24.56 C ATOM 42 CG GLU A 3 15.180 6.471 32.854 1.00 29.91 C ATOM 43 CD GLU A 3 14.967 5.423 33.934 1.00 32.54 C ATOM 44 OE1 GLU A 3 15.485 5.611 35.055 1.00 33.65 O ATOM 45 OE2 GLU A 3 14.283 4.413 33.660 1.00 32.09 O ATOM 46 H GLU A 3 13.734 9.589 32.443 1.00 0.00 H ATOM 47 N GLN A 4 15.598 9.375 36.133 1.00 15.44 N ATOM 48 CA GLN A 4 16.228 10.353 37.009 1.00 14.17 C ATOM 49 C GLN A 4 17.681 9.944 37.201 1.00 11.90 C ATOM 50 O GLN A 4 17.960 8.817 37.628 1.00 13.75 O ATOM 51 CB GLN A 4 15.498 10.448 38.352 1.00 14.65 C ATOM 52 CG GLN A 4 15.950 11.610 39.217 1.00 17.65 C ATOM 53 CD GLN A 4 15.029 11.861 40.394 1.00 19.19 C ATOM 54 OE1 GLN A 4 15.245 11.338 41.488 1.00 27.95 O ATOM 55 NE2 GLN A 4 14.000 12.669 40.178 1.00 21.66 N ATOM 56 HE22 GLN A 4 13.857 13.088 39.237 1.00 0.00 H ATOM 57 HE21 GLN A 4 13.336 12.883 40.949 1.00 0.00 H ATOM 58 H GLN A 4 15.592 8.377 36.425 1.00 0.00 H ATOM 59 N TYR A 5 18.596 10.855 36.882 1.00 11.46 N ATOM 60 CA TYR A 5 20.020 10.565 36.867 1.00 9.11 C ATOM 61 C TYR A 5 20.767 11.556 37.744 1.00 11.00 C ATOM 62 O TYR A 5 20.326 12.691 37.945 1.00 11.39 O ATOM 63 CB TYR A 5 20.597 10.639 35.443 1.00 14.14 C ATOM 64 CG TYR A 5 20.138 9.552 34.493 1.00 9.50 C ATOM 65 CD1 TYR A 5 20.090 8.226 34.889 1.00 10.33 C ATOM 66 CD2 TYR A 5 19.778 9.859 33.188 1.00 9.89 C ATOM 67 CE1 TYR A 5 19.682 7.231 34.012 1.00 11.94 C ATOM 68 CE2 TYR A 5 19.371 8.876 32.308 1.00 16.14 C ATOM 69 CZ TYR A 5 19.326 7.565 32.724 1.00 22.53 C ATOM 70 OH TYR A 5 18.918 6.589 31.843 1.00 24.86 O ATOM 71 HH TYR A 5 18.942 5.708 32.294 1.00 0.00 H ATOM 72 H TYR A 5 18.280 11.814 36.633 1.00 0.00 H ATOM 73 N GLU A 6 21.917 11.120 38.251 1.00 13.61 N ATOM 74 CA GLU A 6 22.864 11.997 38.921 1.00 12.75 C ATOM 75 C GLU A 6 24.028 12.291 37.980 1.00 7.30 C ATOM 76 O GLU A 6 24.591 11.372 37.376 1.00 11.08 O ATOM 77 CB GLU A 6 23.371 11.370 40.219 1.00 12.26 C ATOM 78 CG GLU A 6 22.365 11.426 41.354 1.00 13.01 C ATOM 79 CD GLU A 6 22.946 10.955 42.674 1.00 23.98 C ATOM 80 OE1 GLU A 6 23.590 9.887 42.695 1.00 25.87 O ATOM 81 OE2 GLU A 6 22.767 11.657 43.692 1.00 23.32 O ATOM 82 H GLU A 6 22.148 10.110 38.165 1.00 0.00 H ATOM 83 N ILE A 7 24.373 13.570 37.858 1.00 8.24 N ATOM 84 CA ILE A 7 25.394 14.047 36.929 1.00 8.73 C ATOM 85 C ILE A 7 26.427 14.826 37.736 1.00 8.37 C ATOM 86 O ILE A 7 26.098 15.841 38.358 1.00 9.50 O ATOM 87 CB ILE A 7 24.790 14.928 35.821 1.00 10.42 C ATOM 88 CG1 ILE A 7 23.654 14.194 35.095 1.00 11.96 C ATOM 89 CG2 ILE A 7 25.867 15.380 34.835 1.00 11.68 C ATOM 90 CD1 ILE A 7 24.082 12.954 34.325 1.00 11.88 C ATOM 91 H ILE A 7 23.889 14.269 38.457 1.00 0.00 H ATOM 92 N HIS A 8 27.676 14.362 37.714 1.00 9.08 N ATOM 93 CA HIS A 8 28.727 14.891 38.583 1.00 8.21 C ATOM 94 C HIS A 8 29.613 15.833 37.772 1.00 7.45 C ATOM 95 O HIS A 8 30.478 15.392 37.011 1.00 10.46 O ATOM 96 CB HIS A 8 29.530 13.747 39.194 1.00 8.84 C ATOM 97 CG HIS A 8 28.731 12.872 40.108 1.00 13.57 C ATOM 98 ND1 HIS A 8 28.971 12.791 41.465 1.00 14.91 N ATOM 99 CD2 HIS A 8 27.695 12.036 39.864 1.00 14.28 C ATOM 100 CE1 HIS A 8 28.120 11.944 42.011 1.00 15.23 C ATOM 101 NE2 HIS A 8 27.332 11.471 41.062 1.00 13.85 N ATOM 102 H HIS A 8 27.913 13.594 37.054 1.00 0.00 H ATOM 103 N ILE A 9 29.412 17.137 37.956 1.00 7.14 N ATOM 104 CA ILE A 9 30.071 18.161 37.153 1.00 7.44 C ATOM 105 C ILE A 9 31.175 18.808 37.983 1.00 12.43 C ATOM 106 O ILE A 9 30.910 19.377 39.049 1.00 11.12 O ATOM 107 CB ILE A 9 29.071 19.221 36.664 1.00 6.69 C ATOM 108 CG1 ILE A 9 27.851 18.549 36.022 1.00 9.31 C ATOM 109 CG2 ILE A 9 29.756 20.169 35.686 1.00 11.41 C ATOM 110 CD1 ILE A 9 26.873 19.505 35.379 1.00 7.59 C ATOM 111 H ILE A 9 28.756 17.438 38.705 1.00 0.00 H ATOM 112 N GLU A 10 32.411 18.742 37.487 1.00 13.14 N ATOM 113 CA GLU A 10 33.545 19.407 38.122 1.00 11.93 C ATOM 114 C GLU A 10 33.768 20.755 37.445 1.00 12.80 C ATOM 115 O GLU A 10 34.203 20.818 36.289 1.00 10.98 O ATOM 116 CB GLU A 10 34.807 18.552 38.043 1.00 16.76 C ATOM 117 CG GLU A 10 35.935 19.080 38.923 1.00 24.25 C ATOM 118 CD GLU A 10 37.264 18.397 38.665 1.00 33.89 C ATOM 119 OE1 GLU A 10 38.300 19.096 38.666 1.00 35.77 O ATOM 120 OE2 GLU A 10 37.274 17.165 38.460 1.00 36.18 O ATOM 121 H GLU A 10 32.573 18.197 36.616 1.00 0.00 H ATOM 122 N ARG A 11 33.477 21.831 38.171 1.00 11.46 N ATOM 123 CA ARG A 11 33.715 23.171 37.658 1.00 9.08 C ATOM 124 C ARG A 11 35.178 23.326 37.256 1.00 14.19 C ATOM 125 O ARG A 11 36.083 22.854 37.951 1.00 17.21 O ATOM 126 CB ARG A 11 33.336 24.205 38.721 1.00 15.75 C ATOM 127 CG ARG A 11 33.117 25.618 38.200 1.00 16.80 C ATOM 128 CD ARG A 11 32.860 26.592 39.348 1.00 18.53 C ATOM 129 NE ARG A 11 31.750 26.161 40.200 1.00 10.28 N ATOM 130 CZ ARG A 11 30.468 26.448 39.982 1.00 14.24 C ATOM 131 NH1 ARG A 11 30.107 27.175 38.933 1.00 12.91 N ATOM 132 NH2 ARG A 11 29.539 25.998 40.818 1.00 11.51 N ATOM 133 HE ARG A 11 31.980 25.588 41.037 1.00 0.00 H ATOM 134 HH12 ARG A 11 29.103 27.393 38.772 1.00 0.00 H ATOM 135 HH11 ARG A 11 30.828 27.527 38.271 1.00 0.00 H ATOM 136 HH22 ARG A 11 28.537 26.220 40.650 1.00 0.00 H ATOM 137 HH21 ARG A 11 29.814 25.423 41.640 1.00 0.00 H ATOM 138 H ARG A 11 33.072 21.712 39.122 1.00 0.00 H ATOM 139 N THR A 12 35.405 23.973 36.113 1.00 14.19 N ATOM 140 CA THR A 12 36.759 24.253 35.646 1.00 16.62 C ATOM 141 C THR A 12 36.919 25.741 35.370 1.00 19.18 C ATOM 142 O THR A 12 36.044 26.538 35.721 1.00 14.59 O ATOM 143 CB THR A 12 37.079 23.455 34.380 1.00 13.54 C ATOM 144 OG1 THR A 12 36.328 23.982 33.279 1.00 16.12 O ATOM 145 CG2 THR A 12 36.736 21.990 34.569 1.00 8.92 C ATOM 146 HG1 THR A 12 36.536 23.465 32.461 1.00 0.00 H ATOM 147 H THR A 12 34.596 24.286 35.539 1.00 0.00 H ATOM 148 N ALA A 13 38.032 26.126 34.740 1.00 21.12 N ATOM 149 CA ALA A 13 38.210 27.517 34.343 1.00 23.49 C ATOM 150 C ALA A 13 37.143 27.959 33.351 1.00 27.64 C ATOM 151 O ALA A 13 36.865 29.159 33.246 1.00 29.99 O ATOM 152 CB ALA A 13 39.604 27.728 33.742 1.00 22.23 C ATOM 153 H ALA A 13 38.776 25.429 34.532 1.00 0.00 H ATOM 154 N ALA A 14 36.532 27.017 32.632 1.00 25.15 N ATOM 155 CA ALA A 14 35.477 27.317 31.676 1.00 25.97 C ATOM 156 C ALA A 14 34.083 27.200 32.288 1.00 17.55 C ATOM 157 O ALA A 14 33.101 27.050 31.552 1.00 19.29 O ATOM 158 CB ALA A 14 35.594 26.397 30.459 1.00 28.16 C ATOM 159 H ALA A 14 36.822 26.026 32.760 1.00 0.00 H ATOM 160 N GLY A 15 33.979 27.259 33.613 1.00 13.44 N ATOM 161 CA GLY A 15 32.699 27.167 34.286 1.00 10.18 C ATOM 162 C GLY A 15 32.133 25.763 34.331 1.00 9.69 C ATOM 163 O GLY A 15 32.851 24.793 34.583 1.00 12.27 O ATOM 164 H GLY A 15 34.842 27.375 34.182 1.00 0.00 H ATOM 165 N LEU A 16 30.828 25.644 34.106 1.00 7.25 N ATOM 166 CA LEU A 16 30.181 24.341 34.071 1.00 9.08 C ATOM 167 C LEU A 16 29.991 23.811 32.658 1.00 6.42 C ATOM 168 O LEU A 16 29.857 22.596 32.481 1.00 12.25 O ATOM 169 CB LEU A 16 28.818 24.412 34.767 1.00 8.25 C ATOM 170 CG LEU A 16 28.844 24.904 36.215 1.00 10.64 C ATOM 171 CD1 LEU A 16 27.439 25.233 36.684 1.00 9.24 C ATOM 172 CD2 LEU A 16 29.485 23.872 37.130 1.00 7.94 C ATOM 173 H LEU A 16 30.258 26.500 33.952 1.00 0.00 H ATOM 174 N GLY A 17 29.976 24.686 31.660 1.00 9.05 N ATOM 175 CA GLY A 17 29.736 24.268 30.291 1.00 8.01 C ATOM 176 C GLY A 17 28.296 23.896 30.024 1.00 7.47 C ATOM 177 O GLY A 17 28.036 22.888 29.354 1.00 9.00 O ATOM 178 H GLY A 17 30.140 25.693 31.863 1.00 0.00 H ATOM 179 N LEU A 18 27.352 24.684 30.538 1.00 12.48 N ATOM 180 CA LEU A 18 25.934 24.447 30.323 1.00 12.13 C ATOM 181 C LEU A 18 25.200 25.776 30.355 1.00 8.57 C ATOM 182 O LEU A 18 25.683 26.760 30.921 1.00 8.76 O ATOM 183 CB LEU A 18 25.350 23.505 31.383 1.00 10.30 C ATOM 184 CG LEU A 18 25.282 24.051 32.817 1.00 11.35 C ATOM 185 CD1 LEU A 18 23.917 24.675 33.118 1.00 12.72 C ATOM 186 CD2 LEU A 18 25.598 22.954 33.824 1.00 17.49 C ATOM 187 H LEU A 18 27.641 25.500 31.115 1.00 0.00 H ATOM 188 N SER A 19 24.019 25.788 29.745 1.00 11.36 N ATOM 189 CA SER A 19 23.079 26.890 29.862 1.00 7.69 C ATOM 190 C SER A 19 21.756 26.356 30.393 1.00 6.08 C ATOM 191 O SER A 19 21.370 25.220 30.102 1.00 7.23 O ATOM 192 CB SER A 19 22.845 27.579 28.516 1.00 8.96 C ATOM 193 OG SER A 19 24.040 28.137 28.005 1.00 12.75 O ATOM 194 HG SER A 19 23.854 28.574 27.136 1.00 0.00 H ATOM 195 H SER A 19 23.756 24.971 29.157 1.00 0.00 H ATOM 196 N ILE A 20 21.069 27.177 31.184 1.00 7.32 N ATOM 197 CA ILE A 20 19.739 26.830 31.670 1.00 5.95 C ATOM 198 C ILE A 20 18.727 27.821 31.122 1.00 7.50 C ATOM 199 O ILE A 20 19.020 29.005 30.925 1.00 10.17 O ATOM 200 CB ILE A 20 19.649 26.790 33.212 1.00 8.91 C ATOM 201 CG1 ILE A 20 20.238 28.060 33.830 1.00 9.08 C ATOM 202 CG2 ILE A 20 20.327 25.553 33.753 1.00 9.01 C ATOM 203 CD1 ILE A 20 19.664 28.374 35.190 1.00 13.40 C ATOM 204 H ILE A 20 21.490 28.086 31.462 1.00 0.00 H ATOM 205 N ALA A 21 17.520 27.324 30.882 1.00 6.24 N ATOM 206 CA ALA A 21 16.388 28.143 30.490 1.00 6.00 C ATOM 207 C ALA A 21 15.202 27.787 31.373 1.00 5.93 C ATOM 208 O ALA A 21 15.163 26.723 31.998 1.00 8.06 O ATOM 209 CB ALA A 21 16.031 27.945 29.013 1.00 10.95 C ATOM 210 H ALA A 21 17.379 26.298 30.980 1.00 0.00 H ATOM 211 N GLY A 22 14.237 28.690 31.428 1.00 7.99 N ATOM 212 CA GLY A 22 13.049 28.462 32.225 1.00 10.16 C ATOM 213 C GLY A 22 13.191 28.994 33.639 1.00 8.91 C ATOM 214 O GLY A 22 14.053 29.818 33.957 1.00 9.47 O ATOM 215 H GLY A 22 14.332 29.576 30.892 1.00 0.00 H ATOM 216 N GLY A 23 12.315 28.491 34.506 1.00 5.73 N ATOM 217 CA GLY A 23 12.225 28.951 35.877 1.00 7.89 C ATOM 218 C GLY A 23 10.823 29.423 36.200 1.00 9.63 C ATOM 219 O GLY A 23 10.108 29.889 35.310 1.00 9.35 O ATOM 220 H GLY A 23 11.671 27.739 34.187 1.00 0.00 H ATOM 221 N LYS A 24 10.422 29.311 37.465 1.00 10.92 N ATOM 222 CA LYS A 24 9.066 29.665 37.859 1.00 11.39 C ATOM 223 C LYS A 24 8.784 31.123 37.533 1.00 12.36 C ATOM 224 O LYS A 24 9.578 32.011 37.858 1.00 11.16 O ATOM 225 CB LYS A 24 8.861 29.411 39.352 1.00 9.59 C ATOM 226 CG LYS A 24 7.398 29.393 39.772 1.00 17.65 C ATOM 227 CD LYS A 24 7.237 29.058 41.242 1.00 25.06 C ATOM 228 CE LYS A 24 5.780 28.801 41.597 1.00 32.04 C ATOM 229 NZ LYS A 24 5.287 27.506 41.044 1.00 35.27 N ATOM 230 HZ1 LYS A 24 5.371 27.519 40.007 1.00 0.00 H ATOM 231 HZ2 LYS A 24 5.857 26.726 41.430 1.00 0.00 H ATOM 232 HZ3 LYS A 24 4.291 27.373 41.311 1.00 0.00 H ATOM 233 H LYS A 24 11.089 28.965 38.184 1.00 0.00 H ATOM 234 N GLY A 25 7.651 31.365 36.882 1.00 12.23 N ATOM 235 CA GLY A 25 7.276 32.708 36.502 1.00 10.91 C ATOM 236 C GLY A 25 7.895 33.198 35.216 1.00 8.41 C ATOM 237 O GLY A 25 7.812 34.396 34.926 1.00 14.02 O ATOM 238 H GLY A 25 7.022 30.573 36.641 1.00 0.00 H ATOM 239 N SER A 26 8.512 32.315 34.435 1.00 7.86 N ATOM 240 CA SER A 26 9.127 32.674 33.166 1.00 11.77 C ATOM 241 C SER A 26 8.549 31.812 32.050 1.00 9.17 C ATOM 242 O SER A 26 7.790 30.867 32.286 1.00 14.14 O ATOM 243 CB SER A 26 10.652 32.506 33.226 1.00 10.15 C ATOM 244 OG SER A 26 11.026 31.162 32.990 1.00 12.99 O ATOM 245 HG SER A 26 10.615 30.581 33.678 1.00 0.00 H ATOM 246 H SER A 26 8.557 31.323 34.746 1.00 0.00 H ATOM 247 N THR A 27 8.917 32.153 30.822 1.00 11.55 N ATOM 248 CA THR A 27 8.469 31.411 29.653 1.00 13.38 C ATOM 249 C THR A 27 8.977 29.969 29.734 1.00 7.19 C ATOM 250 O THR A 27 10.192 29.762 29.839 1.00 10.80 O ATOM 251 CB THR A 27 8.969 32.084 28.375 1.00 16.77 C ATOM 252 OG1 THR A 27 8.404 33.399 28.278 1.00 18.66 O ATOM 253 CG2 THR A 27 8.578 31.282 27.139 1.00 18.57 C ATOM 254 HG1 THR A 27 7.417 33.332 28.253 1.00 0.00 H ATOM 255 H THR A 27 9.543 32.973 30.691 1.00 0.00 H ATOM 256 N PRO A 28 8.096 28.969 29.696 1.00 9.16 N ATOM 257 CA PRO A 28 8.570 27.582 29.836 1.00 7.34 C ATOM 258 C PRO A 28 9.436 27.137 28.670 1.00 10.99 C ATOM 259 O PRO A 28 9.160 27.442 27.506 1.00 14.76 O ATOM 260 CB PRO A 28 7.268 26.771 29.900 1.00 11.40 C ATOM 261 CG PRO A 28 6.228 27.737 30.317 1.00 11.93 C ATOM 262 CD PRO A 28 6.627 29.040 29.697 1.00 8.12 C ATOM 263 N PHE A 29 10.500 26.400 29.001 1.00 9.60 N ATOM 264 CA PHE A 29 11.329 25.758 27.985 1.00 10.25 C ATOM 265 C PHE A 29 10.574 24.648 27.269 1.00 12.60 C ATOM 266 O PHE A 29 10.794 24.424 26.073 1.00 10.46 O ATOM 267 CB PHE A 29 12.598 25.197 28.634 1.00 13.66 C ATOM 268 CG PHE A 29 13.499 24.445 27.686 1.00 9.89 C ATOM 269 CD1 PHE A 29 14.432 25.117 26.919 1.00 15.98 C ATOM 270 CD2 PHE A 29 13.426 23.066 27.584 1.00 7.44 C ATOM 271 CE1 PHE A 29 15.265 24.430 26.057 1.00 16.69 C ATOM 272 CE2 PHE A 29 14.258 22.373 26.720 1.00 15.44 C ATOM 273 CZ PHE A 29 15.178 23.057 25.957 1.00 12.28 C ATOM 274 H PHE A 29 10.743 26.281 30.005 1.00 0.00 H ATOM 275 N LYS A 30 9.666 23.970 27.973 1.00 14.18 N ATOM 276 CA LYS A 30 9.039 22.740 27.493 1.00 18.63 C ATOM 277 C LYS A 30 7.579 22.738 27.929 1.00 18.69 C ATOM 278 O LYS A 30 7.284 22.585 29.118 1.00 18.34 O ATOM 279 CB LYS A 30 9.769 21.516 28.045 1.00 15.19 C ATOM 280 CG LYS A 30 9.369 20.189 27.432 1.00 20.26 C ATOM 281 CD LYS A 30 9.795 19.055 28.347 1.00 25.12 C ATOM 282 CE LYS A 30 9.707 17.705 27.667 1.00 27.34 C ATOM 283 NZ LYS A 30 10.512 16.693 28.401 1.00 30.15 N ATOM 284 HZ1 LYS A 30 11.507 16.994 28.424 1.00 0.00 H ATOM 285 HZ2 LYS A 30 10.153 16.604 29.373 1.00 0.00 H ATOM 286 HZ3 LYS A 30 10.437 15.775 27.917 1.00 0.00 H ATOM 287 H LYS A 30 9.391 24.334 28.908 1.00 0.00 H ATOM 288 N GLY A 31 6.671 22.902 26.972 1.00 15.26 N ATOM 289 CA GLY A 31 5.251 22.853 27.289 1.00 12.09 C ATOM 290 C GLY A 31 4.872 23.882 28.331 1.00 13.18 C ATOM 291 O GLY A 31 5.278 25.048 28.270 1.00 16.85 O ATOM 292 H GLY A 31 6.977 23.066 25.992 1.00 0.00 H ATOM 293 N ASP A 32 4.074 23.446 29.305 1.00 19.98 N ATOM 294 CA ASP A 32 3.640 24.283 30.414 1.00 19.81 C ATOM 295 C ASP A 32 4.500 24.087 31.656 1.00 16.78 C ATOM 296 O ASP A 32 4.132 24.559 32.736 1.00 18.82 O ATOM 297 CB ASP A 32 2.173 23.995 30.745 1.00 24.86 C ATOM 298 CG ASP A 32 1.276 24.057 29.525 1.00 27.91 C ATOM 299 OD1 ASP A 32 1.522 24.910 28.647 1.00 28.47 O ATOM 300 OD2 ASP A 32 0.327 23.249 29.443 1.00 29.57 O ATOM 301 H ASP A 32 3.745 22.460 29.271 1.00 0.00 H ATOM 302 N ASP A 33 5.632 23.400 31.527 1.00 14.85 N ATOM 303 CA ASP A 33 6.520 23.118 32.652 1.00 17.30 C ATOM 304 C ASP A 33 7.557 24.231 32.715 1.00 14.10 C ATOM 305 O ASP A 33 8.507 24.254 31.928 1.00 14.33 O ATOM 306 CB ASP A 33 7.172 21.752 32.476 1.00 11.72 C ATOM 307 CG ASP A 33 7.992 21.329 33.673 1.00 12.49 C ATOM 308 OD1 ASP A 33 8.349 22.192 34.499 1.00 14.50 O ATOM 309 OD2 ASP A 33 8.286 20.120 33.780 1.00 14.63 O ATOM 310 H ASP A 33 5.896 23.049 30.584 1.00 0.00 H ATOM 311 N ASP A 34 7.386 25.161 33.655 1.00 14.11 N ATOM 312 CA ASP A 34 8.311 26.278 33.793 1.00 11.71 C ATOM 313 C ASP A 34 9.489 25.955 34.708 1.00 10.65 C ATOM 314 O ASP A 34 10.065 26.865 35.320 1.00 11.01 O ATOM 315 CB ASP A 34 7.564 27.524 34.279 1.00 17.70 C ATOM 316 CG ASP A 34 6.918 27.338 35.638 1.00 21.06 C ATOM 317 OD1 ASP A 34 7.044 26.243 36.224 1.00 24.13 O ATOM 318 OD2 ASP A 34 6.278 28.298 36.121 1.00 25.48 O ATOM 319 H ASP A 34 6.576 25.088 34.303 1.00 0.00 H ATOM 320 N GLY A 35 9.870 24.685 34.805 1.00 8.46 N ATOM 321 CA GLY A 35 11.042 24.290 35.551 1.00 14.00 C ATOM 322 C GLY A 35 12.325 24.712 34.863 1.00 10.13 C ATOM 323 O GLY A 35 12.343 25.418 33.848 1.00 10.11 O ATOM 324 H GLY A 35 9.306 23.953 34.328 1.00 0.00 H ATOM 325 N ILE A 36 13.434 24.257 35.435 1.00 9.49 N ATOM 326 CA ILE A 36 14.774 24.595 34.974 1.00 8.68 C ATOM 327 C ILE A 36 15.243 23.488 34.038 1.00 7.21 C ATOM 328 O ILE A 36 15.343 22.324 34.445 1.00 9.63 O ATOM 329 CB ILE A 36 15.745 24.761 36.151 1.00 6.85 C ATOM 330 CG1 ILE A 36 15.185 25.739 37.189 1.00 11.87 C ATOM 331 CG2 ILE A 36 17.122 25.226 35.656 1.00 9.48 C ATOM 332 CD1 ILE A 36 15.156 27.189 36.730 1.00 14.22 C ATOM 333 H ILE A 36 13.341 23.626 36.256 1.00 0.00 H ATOM 334 N PHE A 37 15.535 23.848 32.791 1.00 7.40 N ATOM 335 CA PHE A 37 15.960 22.891 31.781 1.00 6.10 C ATOM 336 C PHE A 37 17.328 23.269 31.227 1.00 6.16 C ATOM 337 O PHE A 37 17.694 24.448 31.161 1.00 6.55 O ATOM 338 CB PHE A 37 14.947 22.806 30.636 1.00 7.06 C ATOM 339 CG PHE A 37 13.654 22.135 31.020 1.00 6.68 C ATOM 340 CD1 PHE A 37 12.657 22.835 31.681 1.00 9.59 C ATOM 341 CD2 PHE A 37 13.437 20.803 30.717 1.00 6.35 C ATOM 342 CE1 PHE A 37 11.476 22.213 32.036 1.00 9.15 C ATOM 343 CE2 PHE A 37 12.258 20.179 31.071 1.00 8.84 C ATOM 344 CZ PHE A 37 11.278 20.884 31.727 1.00 6.92 C ATOM 345 H PHE A 37 15.457 24.851 32.528 1.00 0.00 H ATOM 346 N ILE A 38 18.088 22.250 30.839 1.00 6.05 N ATOM 347 CA ILE A 38 19.378 22.452 30.187 1.00 7.51 C ATOM 348 C ILE A 38 19.108 22.795 28.726 1.00 7.40 C ATOM 349 O ILE A 38 18.602 21.965 27.967 1.00 8.65 O ATOM 350 CB ILE A 38 20.270 21.210 30.305 1.00 9.45 C ATOM 351 CG1 ILE A 38 20.516 20.851 31.774 1.00 7.60 C ATOM 352 CG2 ILE A 38 21.593 21.424 29.573 1.00 6.53 C ATOM 353 CD1 ILE A 38 21.167 21.945 32.598 1.00 5.90 C ATOM 354 H ILE A 38 17.753 21.279 31.005 1.00 0.00 H ATOM 355 N SER A 39 19.438 24.021 28.332 1.00 6.36 N ATOM 356 CA SER A 39 19.235 24.448 26.957 1.00 9.65 C ATOM 357 C SER A 39 20.482 24.318 26.095 1.00 12.67 C ATOM 358 O SER A 39 20.354 24.258 24.867 1.00 16.04 O ATOM 359 CB SER A 39 18.740 25.900 26.926 1.00 7.78 C ATOM 360 OG SER A 39 19.687 26.774 27.522 1.00 11.96 O ATOM 361 HG SER A 39 19.344 27.702 27.489 1.00 0.00 H ATOM 362 H SER A 39 19.848 24.686 29.019 1.00 0.00 H ATOM 363 N ARG A 40 21.674 24.264 26.698 1.00 7.22 N ATOM 364 CA ARG A 40 22.917 24.113 25.951 1.00 11.19 C ATOM 365 C ARG A 40 23.906 23.308 26.772 1.00 13.48 C ATOM 366 O ARG A 40 23.895 23.348 28.007 1.00 11.11 O ATOM 367 CB ARG A 40 23.551 25.464 25.595 1.00 12.70 C ATOM 368 CG ARG A 40 22.603 26.454 24.954 1.00 18.34 C ATOM 369 CD ARG A 40 23.293 27.272 23.887 1.00 22.32 C ATOM 370 NE ARG A 40 22.338 28.093 23.149 1.00 27.40 N ATOM 371 CZ ARG A 40 22.612 28.735 22.018 1.00 31.04 C ATOM 372 NH1 ARG A 40 21.670 29.452 21.423 1.00 30.38 N ATOM 373 NH2 ARG A 40 23.823 28.658 21.480 1.00 30.18 N ATOM 374 HE ARG A 40 21.376 28.182 23.535 1.00 0.00 H ATOM 375 HH12 ARG A 40 21.881 29.956 20.538 1.00 0.00 H ATOM 376 HH11 ARG A 40 20.720 29.511 21.841 1.00 0.00 H ATOM 377 HH22 ARG A 40 24.032 29.162 20.595 1.00 0.00 H ATOM 378 HH21 ARG A 40 24.563 28.093 21.944 1.00 0.00 H ATOM 379 H ARG A 40 21.716 24.332 27.735 1.00 0.00 H ATOM 380 N VAL A 41 24.774 22.573 26.070 1.00 10.93 N ATOM 381 CA VAL A 41 25.875 21.826 26.674 1.00 12.44 C ATOM 382 C VAL A 41 27.125 22.077 25.839 1.00 10.16 C ATOM 383 O VAL A 41 27.143 21.782 24.639 1.00 14.72 O ATOM 384 CB VAL A 41 25.585 20.318 26.763 1.00 8.46 C ATOM 385 CG1 VAL A 41 26.805 19.571 27.282 1.00 12.01 C ATOM 386 CG2 VAL A 41 24.391 20.054 27.665 1.00 12.32 C ATOM 387 H VAL A 41 24.659 22.530 25.037 1.00 0.00 H ATOM 388 N THR A 42 28.161 22.618 26.471 1.00 8.31 N ATOM 389 CA THR A 42 29.401 22.933 25.768 1.00 10.11 C ATOM 390 C THR A 42 30.145 21.649 25.423 1.00 9.00 C ATOM 391 O THR A 42 30.497 20.868 26.313 1.00 10.92 O ATOM 392 CB THR A 42 30.276 23.842 26.626 1.00 9.94 C ATOM 393 OG1 THR A 42 29.556 25.035 26.956 1.00 17.39 O ATOM 394 CG2 THR A 42 31.556 24.221 25.889 1.00 16.80 C ATOM 395 HG1 THR A 42 30.128 25.621 27.512 1.00 0.00 H ATOM 396 H THR A 42 28.087 22.821 27.488 1.00 0.00 H ATOM 397 N GLU A 43 30.402 21.442 24.132 1.00 8.98 N ATOM 398 CA GLU A 43 31.125 20.260 23.682 1.00 13.14 C ATOM 399 C GLU A 43 32.441 20.117 24.435 1.00 18.78 C ATOM 400 O GLU A 43 33.227 21.063 24.525 1.00 20.58 O ATOM 401 CB GLU A 43 31.394 20.352 22.179 1.00 15.15 C ATOM 402 CG GLU A 43 31.821 19.045 21.533 1.00 24.95 C ATOM 403 CD GLU A 43 30.644 18.196 21.099 1.00 30.77 C ATOM 404 OE1 GLU A 43 29.806 17.852 21.959 1.00 36.05 O ATOM 405 OE2 GLU A 43 30.550 17.880 19.892 1.00 35.84 O ATOM 406 H GLU A 43 30.080 22.139 23.431 1.00 0.00 H ATOM 407 N ALA A 44 32.672 18.926 24.977 1.00 15.75 N ATOM 408 CA ALA A 44 33.878 18.598 25.732 1.00 12.72 C ATOM 409 C ALA A 44 34.053 19.464 26.974 1.00 16.20 C ATOM 410 O ALA A 44 35.143 19.485 27.561 1.00 14.50 O ATOM 411 CB ALA A 44 35.128 18.696 24.852 1.00 15.92 C ATOM 412 H ALA A 44 31.952 18.185 24.857 1.00 0.00 H ATOM 413 N GLY A 45 33.012 20.187 27.387 1.00 8.79 N ATOM 414 CA GLY A 45 33.042 20.914 28.633 1.00 9.58 C ATOM 415 C GLY A 45 32.737 20.022 29.811 1.00 7.29 C ATOM 416 O GLY A 45 32.424 18.833 29.675 1.00 9.08 O ATOM 417 H GLY A 45 32.157 20.228 26.796 1.00 0.00 H ATOM 418 N PRO A 46 32.832 20.594 31.015 1.00 7.37 N ATOM 419 CA PRO A 46 32.590 19.799 32.229 1.00 7.30 C ATOM 420 C PRO A 46 31.247 19.088 32.226 1.00 7.10 C ATOM 421 O PRO A 46 31.169 17.909 32.593 1.00 9.47 O ATOM 422 CB PRO A 46 32.680 20.840 33.349 1.00 9.24 C ATOM 423 CG PRO A 46 33.570 21.901 32.798 1.00 9.93 C ATOM 424 CD PRO A 46 33.276 21.965 31.332 1.00 7.55 C ATOM 425 N ALA A 47 30.178 19.776 31.822 1.00 11.71 N ATOM 426 CA ALA A 47 28.862 19.149 31.820 1.00 12.20 C ATOM 427 C ALA A 47 28.779 18.043 30.774 1.00 11.46 C ATOM 428 O ALA A 47 28.176 16.992 31.017 1.00 9.31 O ATOM 429 CB ALA A 47 27.782 20.204 31.582 1.00 7.71 C ATOM 430 H ALA A 47 30.284 20.762 31.508 1.00 0.00 H ATOM 431 N ASP A 48 29.378 18.260 29.603 1.00 6.79 N ATOM 432 CA ASP A 48 29.348 17.235 28.564 1.00 8.02 C ATOM 433 C ASP A 48 30.112 15.992 29.005 1.00 11.68 C ATOM 434 O ASP A 48 29.634 14.865 28.826 1.00 11.33 O ATOM 435 CB ASP A 48 29.925 17.802 27.266 1.00 10.82 C ATOM 436 CG ASP A 48 29.825 16.831 26.105 1.00 21.65 C ATOM 437 OD1 ASP A 48 28.815 16.106 26.016 1.00 21.33 O ATOM 438 OD2 ASP A 48 30.753 16.811 25.270 1.00 22.82 O ATOM 439 H ASP A 48 29.867 19.161 29.429 1.00 0.00 H ATOM 440 N LEU A 49 31.296 16.182 29.590 1.00 11.82 N ATOM 441 CA LEU A 49 32.062 15.054 30.110 1.00 11.19 C ATOM 442 C LEU A 49 31.266 14.289 31.159 1.00 15.89 C ATOM 443 O LEU A 49 31.343 13.057 31.234 1.00 12.42 O ATOM 444 CB LEU A 49 33.382 15.551 30.700 1.00 16.82 C ATOM 445 CG LEU A 49 34.364 16.219 29.735 1.00 21.05 C ATOM 446 CD1 LEU A 49 35.653 16.570 30.460 1.00 21.64 C ATOM 447 CD2 LEU A 49 34.649 15.336 28.531 1.00 24.08 C ATOM 448 H LEU A 49 31.678 17.146 29.676 1.00 0.00 H ATOM 449 N ALA A 50 30.504 15.003 31.987 1.00 9.83 N ATOM 450 CA ALA A 50 29.733 14.375 33.050 1.00 6.57 C ATOM 451 C ALA A 50 28.456 13.715 32.545 1.00 6.65 C ATOM 452 O ALA A 50 27.783 13.032 33.324 1.00 8.34 O ATOM 453 CB ALA A 50 29.391 15.410 34.125 1.00 12.93 C ATOM 454 H ALA A 50 30.459 16.035 31.871 1.00 0.00 H ATOM 455 N GLY A 51 28.106 13.903 31.278 1.00 9.01 N ATOM 456 CA GLY A 51 26.960 13.242 30.693 1.00 11.49 C ATOM 457 C GLY A 51 25.686 14.053 30.631 1.00 9.19 C ATOM 458 O GLY A 51 24.626 13.479 30.358 1.00 8.47 O ATOM 459 H GLY A 51 28.673 14.545 30.688 1.00 0.00 H ATOM 460 N LEU A 52 25.745 15.357 30.881 1.00 7.85 N ATOM 461 CA LEU A 52 24.552 16.188 30.798 1.00 6.68 C ATOM 462 C LEU A 52 24.107 16.333 29.344 1.00 10.96 C ATOM 463 O LEU A 52 24.925 16.393 28.422 1.00 9.07 O ATOM 464 CB LEU A 52 24.825 17.563 31.412 1.00 6.89 C ATOM 465 CG LEU A 52 23.640 18.453 31.785 1.00 10.43 C ATOM 466 CD1 LEU A 52 22.882 17.905 32.986 1.00 10.16 C ATOM 467 CD2 LEU A 52 24.127 19.867 32.062 1.00 6.46 C ATOM 468 H LEU A 52 26.655 15.789 31.139 1.00 0.00 H ATOM 469 N LYS A 53 22.790 16.377 29.142 1.00 6.04 N ATOM 470 CA LYS A 53 22.200 16.476 27.814 1.00 6.11 C ATOM 471 C LYS A 53 21.232 17.652 27.755 1.00 7.31 C ATOM 472 O LYS A 53 20.599 18.007 28.751 1.00 10.65 O ATOM 473 CB LYS A 53 21.450 15.191 27.431 1.00 9.66 C ATOM 474 CG LYS A 53 22.293 13.929 27.467 1.00 11.47 C ATOM 475 CD LYS A 53 23.427 13.973 26.458 1.00 15.52 C ATOM 476 CE LYS A 53 24.337 12.764 26.605 1.00 12.92 C ATOM 477 NZ LYS A 53 25.589 12.904 25.804 1.00 14.79 N ATOM 478 HZ1 LYS A 53 25.346 13.007 24.798 1.00 0.00 H ATOM 479 HZ2 LYS A 53 26.111 13.745 26.124 1.00 0.00 H ATOM 480 HZ3 LYS A 53 26.179 12.057 25.934 1.00 0.00 H ATOM 481 H LYS A 53 22.158 16.339 29.967 1.00 0.00 H ATOM 482 N VAL A 54 21.118 18.250 26.571 1.00 8.46 N ATOM 483 CA VAL A 54 20.143 19.315 26.377 1.00 11.35 C ATOM 484 C VAL A 54 18.747 18.732 26.541 1.00 6.13 C ATOM 485 O VAL A 54 18.467 17.611 26.098 1.00 9.15 O ATOM 486 CB VAL A 54 20.318 19.974 24.999 1.00 10.32 C ATOM 487 CG1 VAL A 54 19.220 20.982 24.758 1.00 14.81 C ATOM 488 CG2 VAL A 54 21.668 20.656 24.894 1.00 13.41 C ATOM 489 H VAL A 54 21.727 17.956 25.781 1.00 0.00 H ATOM 490 N GLY A 55 17.859 19.497 27.176 1.00 9.09 N ATOM 491 CA GLY A 55 16.534 19.027 27.502 1.00 9.36 C ATOM 492 C GLY A 55 16.408 18.391 28.869 1.00 9.67 C ATOM 493 O GLY A 55 15.286 18.119 29.306 1.00 10.80 O ATOM 494 H GLY A 55 18.130 20.464 27.445 1.00 0.00 H ATOM 495 N ASP A 56 17.522 18.128 29.551 1.00 8.46 N ATOM 496 CA ASP A 56 17.458 17.628 30.917 1.00 9.52 C ATOM 497 C ASP A 56 16.775 18.649 31.817 1.00 9.07 C ATOM 498 O ASP A 56 17.023 19.854 31.718 1.00 10.91 O ATOM 499 CB ASP A 56 18.861 17.335 31.451 1.00 7.51 C ATOM 500 CG ASP A 56 19.485 16.099 30.832 1.00 8.17 C ATOM 501 OD1 ASP A 56 18.787 15.375 30.088 1.00 7.80 O ATOM 502 OD2 ASP A 56 20.690 15.860 31.093 1.00 7.52 O ATOM 503 H ASP A 56 18.448 18.282 29.103 1.00 0.00 H ATOM 504 N LYS A 57 15.906 18.160 32.697 1.00 6.20 N ATOM 505 CA LYS A 57 15.263 18.996 33.702 1.00 7.97 C ATOM 506 C LYS A 57 16.037 18.888 35.008 1.00 6.90 C ATOM 507 O LYS A 57 16.255 17.783 35.511 1.00 8.88 O ATOM 508 CB LYS A 57 13.811 18.578 33.921 1.00 5.92 C ATOM 509 CG LYS A 57 13.073 19.514 34.862 1.00 5.93 C ATOM 510 CD LYS A 57 11.684 19.027 35.185 1.00 11.20 C ATOM 511 CE LYS A 57 10.945 20.072 35.994 1.00 16.36 C ATOM 512 NZ LYS A 57 9.557 19.660 36.306 1.00 12.06 N ATOM 513 HZ1 LYS A 57 9.034 19.508 35.420 1.00 0.00 H ATOM 514 HZ2 LYS A 57 9.574 18.777 36.856 1.00 0.00 H ATOM 515 HZ3 LYS A 57 9.091 20.407 36.861 1.00 0.00 H ATOM 516 H LYS A 57 15.678 17.146 32.667 1.00 0.00 H ATOM 517 N VAL A 58 16.449 20.031 35.553 1.00 5.94 N ATOM 518 CA VAL A 58 17.263 20.058 36.763 1.00 9.73 C ATOM 519 C VAL A 58 16.354 19.987 37.981 1.00 5.90 C ATOM 520 O VAL A 58 15.433 20.800 38.137 1.00 8.36 O ATOM 521 CB VAL A 58 18.149 21.313 36.808 1.00 9.74 C ATOM 522 CG1 VAL A 58 19.077 21.262 38.014 1.00 7.54 C ATOM 523 CG2 VAL A 58 18.950 21.450 35.523 1.00 6.83 C ATOM 524 H VAL A 58 16.183 20.930 35.103 1.00 0.00 H ATOM 525 N ILE A 59 16.622 19.017 38.851 1.00 9.50 N ATOM 526 CA ILE A 59 15.815 18.757 40.036 1.00 9.03 C ATOM 527 C ILE A 59 16.530 19.220 41.301 1.00 11.05 C ATOM 528 O ILE A 59 15.937 19.891 42.149 1.00 9.14 O ATOM 529 CB ILE A 59 15.451 17.255 40.126 1.00 10.37 C ATOM 530 CG1 ILE A 59 14.762 16.786 38.839 1.00 7.53 C ATOM 531 CG2 ILE A 59 14.580 16.965 41.344 1.00 10.65 C ATOM 532 CD1 ILE A 59 13.474 17.523 38.500 1.00 12.06 C ATOM 533 H ILE A 59 17.450 18.413 38.676 1.00 0.00 H ATOM 534 N LYS A 60 17.808 18.869 41.441 1.00 9.68 N ATOM 535 CA LYS A 60 18.587 19.204 42.623 1.00 6.58 C ATOM 536 C LYS A 60 20.014 19.541 42.222 1.00 8.17 C ATOM 537 O LYS A 60 20.515 19.077 41.193 1.00 8.38 O ATOM 538 CB LYS A 60 18.623 18.059 43.643 1.00 7.68 C ATOM 539 CG LYS A 60 17.271 17.500 44.035 1.00 16.07 C ATOM 540 CD LYS A 60 17.424 16.494 45.172 1.00 23.92 C ATOM 541 CE LYS A 60 16.121 15.772 45.475 1.00 23.94 C ATOM 542 NZ LYS A 60 16.215 14.976 46.729 1.00 30.18 N ATOM 543 HZ1 LYS A 60 16.969 14.267 46.632 1.00 0.00 H ATOM 544 HZ2 LYS A 60 16.433 15.609 47.525 1.00 0.00 H ATOM 545 HZ3 LYS A 60 15.308 14.498 46.903 1.00 0.00 H ATOM 546 H LYS A 60 18.266 18.335 40.675 1.00 0.00 H ATOM 547 N VAL A 61 20.666 20.345 43.061 1.00 6.52 N ATOM 548 CA VAL A 61 22.083 20.676 42.929 1.00 8.62 C ATOM 549 C VAL A 61 22.710 20.468 44.301 1.00 7.02 C ATOM 550 O VAL A 61 22.406 21.209 45.242 1.00 7.87 O ATOM 551 CB VAL A 61 22.305 22.115 42.442 1.00 7.52 C ATOM 552 CG1 VAL A 61 23.794 22.400 42.288 1.00 6.96 C ATOM 553 CG2 VAL A 61 21.565 22.359 41.135 1.00 6.70 C ATOM 554 H VAL A 61 20.137 20.760 43.854 1.00 0.00 H ATOM 555 N ASN A 62 23.589 19.472 44.415 1.00 7.96 N ATOM 556 CA ASN A 62 24.217 19.122 45.689 1.00 6.52 C ATOM 557 C ASN A 62 23.179 19.033 46.807 1.00 5.93 C ATOM 558 O ASN A 62 23.358 19.561 47.908 1.00 9.86 O ATOM 559 CB ASN A 62 25.322 20.118 46.043 1.00 7.94 C ATOM 560 CG ASN A 62 26.565 19.925 45.205 1.00 8.25 C ATOM 561 OD1 ASN A 62 26.808 18.839 44.673 1.00 7.93 O ATOM 562 ND2 ASN A 62 27.367 20.972 45.091 1.00 10.34 N ATOM 563 HD22 ASN A 62 27.121 21.868 45.557 1.00 0.00 H ATOM 564 HD21 ASN A 62 28.243 20.898 44.535 1.00 0.00 H ATOM 565 H ASN A 62 23.837 18.924 43.567 1.00 0.00 H ATOM 566 N GLY A 63 22.073 18.348 46.514 1.00 11.00 N ATOM 567 CA GLY A 63 21.005 18.175 47.472 1.00 9.54 C ATOM 568 C GLY A 63 20.073 19.356 47.615 1.00 10.13 C ATOM 569 O GLY A 63 19.072 19.248 48.335 1.00 14.71 O ATOM 570 H GLY A 63 21.976 17.926 45.568 1.00 0.00 H ATOM 571 N ILE A 64 20.366 20.474 46.960 1.00 7.22 N ATOM 572 CA ILE A 64 19.525 21.665 47.015 1.00 9.57 C ATOM 573 C ILE A 64 18.471 21.539 45.920 1.00 6.43 C ATOM 574 O ILE A 64 18.800 21.479 44.737 1.00 6.42 O ATOM 575 CB ILE A 64 20.364 22.939 46.823 1.00 9.70 C ATOM 576 CG1 ILE A 64 21.452 23.030 47.899 1.00 5.98 C ATOM 577 CG2 ILE A 64 19.474 24.176 46.840 1.00 11.60 C ATOM 578 CD1 ILE A 64 22.585 23.969 47.544 1.00 9.74 C ATOM 579 H ILE A 64 21.231 20.501 46.384 1.00 0.00 H ATOM 580 N VAL A 65 17.199 21.508 46.326 1.00 8.11 N ATOM 581 CA VAL A 65 16.118 21.363 45.356 1.00 6.95 C ATOM 582 C VAL A 65 15.917 22.674 44.612 1.00 9.51 C ATOM 583 O VAL A 65 15.934 23.762 45.206 1.00 10.78 O ATOM 584 CB VAL A 65 14.824 20.913 46.062 1.00 7.06 C ATOM 585 CG1 VAL A 65 13.660 20.915 45.094 1.00 10.54 C ATOM 586 CG2 VAL A 65 14.998 19.527 46.657 1.00 9.20 C ATOM 587 H VAL A 65 16.977 21.588 47.339 1.00 0.00 H ATOM 588 N VAL A 66 15.728 22.578 43.293 1.00 7.77 N ATOM 589 CA VAL A 66 15.444 23.747 42.467 1.00 7.21 C ATOM 590 C VAL A 66 14.293 23.447 41.515 1.00 9.86 C ATOM 591 O VAL A 66 14.157 24.100 40.476 1.00 9.83 O ATOM 592 CB VAL A 66 16.686 24.202 41.672 1.00 9.10 C ATOM 593 CG1 VAL A 66 17.760 24.752 42.600 1.00 10.06 C ATOM 594 CG2 VAL A 66 17.233 23.061 40.822 1.00 9.68 C ATOM 595 H VAL A 66 15.785 21.643 42.842 1.00 0.00 H ATOM 596 N VAL A 67 13.453 22.463 41.853 1.00 9.82 N ATOM 597 CA VAL A 67 12.340 22.118 40.969 1.00 18.05 C ATOM 598 C VAL A 67 11.401 23.305 40.806 1.00 15.28 C ATOM 599 O VAL A 67 10.853 23.535 39.721 1.00 22.64 O ATOM 600 CB VAL A 67 11.587 20.875 41.482 1.00 17.66 C ATOM 601 CG1 VAL A 67 12.471 19.642 41.404 1.00 21.67 C ATOM 602 CG2 VAL A 67 11.061 21.091 42.893 1.00 21.92 C ATOM 603 H VAL A 67 13.591 21.944 42.743 1.00 0.00 H ATOM 604 N ASP A 68 11.201 24.080 41.874 1.00 10.69 N ATOM 605 CA ASP A 68 10.300 25.226 41.847 1.00 15.33 C ATOM 606 C ASP A 68 11.047 26.554 41.817 1.00 8.65 C ATOM 607 O ASP A 68 10.441 27.605 42.045 1.00 14.45 O ATOM 608 CB ASP A 68 9.351 25.193 43.045 1.00 23.67 C ATOM 609 CG ASP A 68 8.479 23.959 43.062 1.00 31.94 C ATOM 610 OD1 ASP A 68 8.265 23.368 41.983 1.00 36.33 O ATOM 611 OD2 ASP A 68 8.009 23.582 44.155 1.00 37.44 O ATOM 612 H ASP A 68 11.705 23.859 42.756 1.00 0.00 H ATOM 613 N ALA A 69 12.344 26.535 41.529 1.00 10.32 N ATOM 614 CA ALA A 69 13.130 27.758 41.555 1.00 11.53 C ATOM 615 C ALA A 69 12.734 28.682 40.411 1.00 11.24 C ATOM 616 O ALA A 69 12.394 28.230 39.313 1.00 11.11 O ATOM 617 CB ALA A 69 14.619 27.427 41.460 1.00 12.75 C ATOM 618 H ALA A 69 12.802 25.635 41.282 1.00 0.00 H ATOM 619 N ASP A 70 12.772 29.988 40.667 1.00 9.20 N ATOM 620 CA ASP A 70 12.791 30.913 39.549 1.00 10.39 C ATOM 621 C ASP A 70 14.194 30.938 38.944 1.00 6.05 C ATOM 622 O ASP A 70 15.134 30.317 39.450 1.00 9.94 O ATOM 623 CB ASP A 70 12.328 32.314 39.970 1.00 10.78 C ATOM 624 CG ASP A 70 13.136 32.901 41.113 1.00 12.39 C ATOM 625 OD1 ASP A 70 14.377 33.004 41.000 1.00 10.54 O ATOM 626 OD2 ASP A 70 12.513 33.308 42.120 1.00 17.08 O ATOM 627 H ASP A 70 12.788 30.337 41.646 1.00 0.00 H ATOM 628 N HIS A 71 14.329 31.644 37.823 1.00 8.15 N ATOM 629 CA HIS A 71 15.560 31.550 37.045 1.00 7.70 C ATOM 630 C HIS A 71 16.762 32.053 37.837 1.00 9.20 C ATOM 631 O HIS A 71 17.798 31.384 37.907 1.00 8.15 O ATOM 632 CB HIS A 71 15.410 32.325 35.740 1.00 8.21 C ATOM 633 CG HIS A 71 16.525 32.083 34.775 1.00 7.19 C ATOM 634 ND1 HIS A 71 16.518 31.036 33.881 1.00 7.50 N ATOM 635 CD2 HIS A 71 17.694 32.739 34.581 1.00 7.93 C ATOM 636 CE1 HIS A 71 17.629 31.065 33.165 1.00 6.42 C ATOM 637 NE2 HIS A 71 18.357 32.090 33.570 1.00 6.66 N ATOM 638 H HIS A 71 13.557 32.262 37.502 1.00 0.00 H ATOM 639 N TYR A 72 16.644 33.240 38.435 1.00 8.85 N ATOM 640 CA TYR A 72 17.754 33.801 39.202 1.00 9.86 C ATOM 641 C TYR A 72 18.170 32.871 40.335 1.00 8.42 C ATOM 642 O TYR A 72 19.368 32.724 40.617 1.00 8.12 O ATOM 643 CB TYR A 72 17.355 35.174 39.747 1.00 13.79 C ATOM 644 CG TYR A 72 18.452 35.903 40.492 1.00 11.10 C ATOM 645 CD1 TYR A 72 19.331 36.747 39.824 1.00 13.67 C ATOM 646 CD2 TYR A 72 18.598 35.764 41.864 1.00 14.20 C ATOM 647 CE1 TYR A 72 20.330 37.421 40.500 1.00 19.20 C ATOM 648 CE2 TYR A 72 19.596 36.436 42.548 1.00 14.22 C ATOM 649 CZ TYR A 72 20.457 37.262 41.861 1.00 21.09 C ATOM 650 OH TYR A 72 21.451 37.934 42.536 1.00 29.31 O ATOM 651 HH TYR A 72 22.048 37.280 42.979 1.00 0.00 H ATOM 652 H TYR A 72 15.753 33.771 38.354 1.00 0.00 H ATOM 653 N GLN A 73 17.198 32.244 40.999 1.00 9.10 N ATOM 654 CA GLN A 73 17.504 31.299 42.068 1.00 10.69 C ATOM 655 C GLN A 73 18.403 30.178 41.561 1.00 11.13 C ATOM 656 O GLN A 73 19.410 29.843 42.192 1.00 8.04 O ATOM 657 CB GLN A 73 16.203 30.730 42.645 1.00 10.67 C ATOM 658 CG GLN A 73 16.377 29.642 43.706 1.00 7.80 C ATOM 659 CD GLN A 73 16.448 30.190 45.113 1.00 15.01 C ATOM 660 OE1 GLN A 73 16.621 31.390 45.318 1.00 19.09 O ATOM 661 NE2 GLN A 73 16.306 29.307 46.098 1.00 18.01 N ATOM 662 HE22 GLN A 73 16.162 28.301 45.878 1.00 0.00 H ATOM 663 HE21 GLN A 73 16.339 29.623 47.088 1.00 0.00 H ATOM 664 H GLN A 73 16.206 32.432 40.751 1.00 0.00 H ATOM 665 N ALA A 74 18.045 29.580 40.421 1.00 8.60 N ATOM 666 CA ALA A 74 18.819 28.462 39.893 1.00 7.85 C ATOM 667 C ALA A 74 20.209 28.902 39.453 1.00 5.70 C ATOM 668 O ALA A 74 21.188 28.175 39.656 1.00 11.07 O ATOM 669 CB ALA A 74 18.078 27.809 38.728 1.00 6.64 C ATOM 670 H ALA A 74 17.206 29.915 39.905 1.00 0.00 H ATOM 671 N VAL A 75 20.315 30.085 38.841 1.00 5.81 N ATOM 672 CA VAL A 75 21.626 30.599 38.450 1.00 7.22 C ATOM 673 C VAL A 75 22.534 30.703 39.672 1.00 9.84 C ATOM 674 O VAL A 75 23.674 30.230 39.660 1.00 9.63 O ATOM 675 CB VAL A 75 21.486 31.957 37.737 1.00 7.25 C ATOM 676 CG1 VAL A 75 22.853 32.591 37.493 1.00 10.55 C ATOM 677 CG2 VAL A 75 20.746 31.793 36.421 1.00 15.28 C ATOM 678 H VAL A 75 19.460 30.643 38.642 1.00 0.00 H ATOM 679 N GLN A 76 22.028 31.312 40.745 1.00 9.48 N ATOM 680 CA GLN A 76 22.854 31.509 41.934 1.00 8.87 C ATOM 681 C GLN A 76 23.258 30.179 42.561 1.00 6.59 C ATOM 682 O GLN A 76 24.390 30.025 43.027 1.00 7.84 O ATOM 683 CB GLN A 76 22.112 32.383 42.942 1.00 9.86 C ATOM 684 CG GLN A 76 22.076 33.853 42.554 1.00 9.93 C ATOM 685 CD GLN A 76 23.469 34.444 42.431 1.00 17.54 C ATOM 686 OE1 GLN A 76 23.873 34.892 41.361 1.00 23.97 O ATOM 687 NE2 GLN A 76 24.216 34.435 43.531 1.00 20.40 N ATOM 688 HE22 GLN A 76 23.833 34.046 44.416 1.00 0.00 H ATOM 689 HE21 GLN A 76 25.183 34.817 43.506 1.00 0.00 H ATOM 690 H GLN A 76 21.044 31.647 40.735 1.00 0.00 H ATOM 691 N VAL A 77 22.347 29.202 42.588 1.00 7.78 N ATOM 692 CA VAL A 77 22.708 27.892 43.123 1.00 8.00 C ATOM 693 C VAL A 77 23.811 27.268 42.278 1.00 7.94 C ATOM 694 O VAL A 77 24.799 26.741 42.807 1.00 10.25 O ATOM 695 CB VAL A 77 21.464 26.985 43.206 1.00 7.09 C ATOM 696 CG1 VAL A 77 21.858 25.551 43.549 1.00 14.41 C ATOM 697 CG2 VAL A 77 20.487 27.522 44.245 1.00 8.72 C ATOM 698 H VAL A 77 21.386 29.374 42.230 1.00 0.00 H ATOM 699 N LEU A 78 23.678 27.343 40.952 1.00 8.29 N ATOM 700 CA LEU A 78 24.661 26.724 40.072 1.00 6.15 C ATOM 701 C LEU A 78 25.989 27.467 40.104 1.00 7.73 C ATOM 702 O LEU A 78 27.049 26.845 39.981 1.00 11.59 O ATOM 703 CB LEU A 78 24.118 26.666 38.645 1.00 9.35 C ATOM 704 CG LEU A 78 22.973 25.676 38.433 1.00 7.57 C ATOM 705 CD1 LEU A 78 22.260 25.958 37.128 1.00 8.74 C ATOM 706 CD2 LEU A 78 23.496 24.247 38.456 1.00 6.81 C ATOM 707 H LEU A 78 22.866 27.848 40.543 1.00 0.00 H ATOM 708 N LYS A 79 25.953 28.790 40.266 1.00 6.61 N ATOM 709 CA LYS A 79 27.198 29.551 40.361 1.00 7.56 C ATOM 710 C LYS A 79 27.891 29.317 41.694 1.00 7.65 C ATOM 711 O LYS A 79 29.116 29.149 41.747 1.00 9.14 O ATOM 712 CB LYS A 79 26.934 31.052 40.209 1.00 9.79 C ATOM 713 CG LYS A 79 26.925 31.597 38.794 1.00 14.66 C ATOM 714 CD LYS A 79 26.594 33.098 38.741 1.00 22.95 C ATOM 715 CE LYS A 79 27.307 33.973 39.788 1.00 33.33 C ATOM 716 NZ LYS A 79 28.732 34.286 39.467 1.00 40.04 N ATOM 717 HZ1 LYS A 79 29.272 33.400 39.394 1.00 0.00 H ATOM 718 HZ2 LYS A 79 28.778 34.797 38.563 1.00 0.00 H ATOM 719 HZ3 LYS A 79 29.134 34.877 40.222 1.00 0.00 H ATOM 720 H LYS A 79 25.038 29.281 40.325 1.00 0.00 H ATOM 721 N ALA A 80 27.129 29.317 42.784 1.00 7.10 N ATOM 722 CA ALA A 80 27.703 29.539 44.100 1.00 7.35 C ATOM 723 C ALA A 80 27.951 28.270 44.906 1.00 7.31 C ATOM 724 O ALA A 80 28.698 28.320 45.888 1.00 9.02 O ATOM 725 CB ALA A 80 26.798 30.469 44.916 1.00 13.72 C ATOM 726 H ALA A 80 26.106 29.155 42.693 1.00 0.00 H ATOM 727 N CYS A 81 27.376 27.134 44.524 1.00 9.18 N ATOM 728 CA CYS A 81 27.230 26.033 45.465 1.00 8.18 C ATOM 729 C CYS A 81 28.153 24.852 45.181 1.00 7.53 C ATOM 730 O CYS A 81 27.830 23.720 45.542 1.00 9.71 O ATOM 731 CB CYS A 81 25.772 25.593 45.521 1.00 7.12 C ATOM 732 SG CYS A 81 24.707 26.936 46.092 1.00 7.57 S ATOM 733 H CYS A 81 27.029 27.031 43.549 1.00 0.00 H ATOM 734 N GLY A 82 29.311 25.096 44.598 1.00 8.75 N ATOM 735 CA GLY A 82 30.401 24.150 44.749 1.00 11.13 C ATOM 736 C GLY A 82 31.358 24.025 43.584 1.00 11.17 C ATOM 737 O GLY A 82 31.024 24.250 42.426 1.00 8.90 O ATOM 738 H GLY A 82 29.442 25.960 44.034 1.00 0.00 H ATOM 739 N ALA A 83 32.598 23.652 43.920 1.00 11.12 N ATOM 740 CA ALA A 83 33.567 23.220 42.920 1.00 13.67 C ATOM 741 C ALA A 83 33.084 21.980 42.182 1.00 11.75 C ATOM 742 O ALA A 83 33.412 21.790 41.004 1.00 12.91 O ATOM 743 CB ALA A 83 34.911 22.942 43.593 1.00 11.97 C ATOM 744 H ALA A 83 32.878 23.671 44.921 1.00 0.00 H ATOM 745 N VAL A 84 32.327 21.120 42.857 1.00 7.96 N ATOM 746 CA VAL A 84 31.697 19.958 42.245 1.00 7.35 C ATOM 747 C VAL A 84 30.197 20.080 42.453 1.00 9.09 C ATOM 748 O VAL A 84 29.737 20.286 43.583 1.00 12.51 O ATOM 749 CB VAL A 84 32.219 18.635 42.835 1.00 10.86 C ATOM 750 CG1 VAL A 84 31.510 17.441 42.192 1.00 17.02 C ATOM 751 CG2 VAL A 84 33.730 18.519 42.648 1.00 14.64 C ATOM 752 H VAL A 84 32.177 21.285 43.873 1.00 0.00 H ATOM 753 N LEU A 85 29.440 19.947 41.369 1.00 7.76 N ATOM 754 CA LEU A 85 27.985 19.976 41.416 1.00 9.75 C ATOM 755 C LEU A 85 27.460 18.604 41.027 1.00 10.47 C ATOM 756 O LEU A 85 27.663 18.156 39.891 1.00 12.54 O ATOM 757 CB LEU A 85 27.413 21.040 40.481 1.00 7.04 C ATOM 758 CG LEU A 85 27.820 22.496 40.709 1.00 9.31 C ATOM 759 CD1 LEU A 85 26.978 23.389 39.818 1.00 9.72 C ATOM 760 CD2 LEU A 85 27.684 22.911 42.172 1.00 9.59 C ATOM 761 H LEU A 85 29.906 19.817 40.449 1.00 0.00 H ATOM 762 N VAL A 86 26.801 17.935 41.968 1.00 9.79 N ATOM 763 CA VAL A 86 26.060 16.715 41.674 1.00 6.59 C ATOM 764 C VAL A 86 24.635 17.151 41.357 1.00 8.33 C ATOM 765 O VAL A 86 23.862 17.503 42.252 1.00 9.60 O ATOM 766 CB VAL A 86 26.115 15.718 42.833 1.00 11.32 C ATOM 767 CG1 VAL A 86 25.342 14.453 42.481 1.00 11.02 C ATOM 768 CG2 VAL A 86 27.559 15.376 43.171 1.00 11.55 C ATOM 769 H VAL A 86 26.815 18.293 42.944 1.00 0.00 H ATOM 770 N LEU A 87 24.296 17.153 40.071 1.00 7.49 N ATOM 771 CA LEU A 87 22.952 17.480 39.621 1.00 6.60 C ATOM 772 C LEU A 87 22.101 16.220 39.585 1.00 9.50 C ATOM 773 O LEU A 87 22.547 15.176 39.101 1.00 13.45 O ATOM 774 CB LEU A 87 22.980 18.117 38.230 1.00 8.95 C ATOM 775 CG LEU A 87 23.005 19.643 38.121 1.00 13.44 C ATOM 776 CD1 LEU A 87 24.127 20.258 38.936 1.00 18.14 C ATOM 777 CD2 LEU A 87 23.130 20.030 36.652 1.00 12.52 C ATOM 778 H LEU A 87 25.018 16.912 39.362 1.00 0.00 H ATOM 779 N VAL A 88 20.886 16.320 40.106 1.00 10.47 N ATOM 780 CA VAL A 88 19.842 15.336 39.853 1.00 7.78 C ATOM 781 C VAL A 88 18.991 15.885 38.719 1.00 7.10 C ATOM 782 O VAL A 88 18.454 16.994 38.821 1.00 8.50 O ATOM 783 CB VAL A 88 19.001 15.062 41.110 1.00 9.42 C ATOM 784 CG1 VAL A 88 17.738 14.263 40.764 1.00 10.97 C ATOM 785 CG2 VAL A 88 19.826 14.306 42.143 1.00 8.82 C ATOM 786 H VAL A 88 20.670 17.132 40.719 1.00 0.00 H ATOM 787 N VAL A 89 18.884 15.125 37.629 1.00 8.14 N ATOM 788 CA VAL A 89 18.154 15.567 36.451 1.00 8.84 C ATOM 789 C VAL A 89 17.126 14.511 36.075 1.00 7.34 C ATOM 790 O VAL A 89 17.262 13.330 36.405 1.00 8.82 O ATOM 791 CB VAL A 89 19.083 15.849 35.250 1.00 7.98 C ATOM 792 CG1 VAL A 89 20.128 16.890 35.612 1.00 10.56 C ATOM 793 CG2 VAL A 89 19.745 14.564 34.764 1.00 10.70 C ATOM 794 H VAL A 89 19.336 14.188 37.621 1.00 0.00 H ATOM 795 N GLN A 90 16.092 14.958 35.367 1.00 8.25 N ATOM 796 CA GLN A 90 15.117 14.077 34.740 1.00 10.67 C ATOM 797 C GLN A 90 15.269 14.162 33.228 1.00 11.75 C ATOM 798 O GLN A 90 15.481 15.247 32.676 1.00 9.18 O ATOM 799 CB GLN A 90 13.685 14.444 35.142 1.00 13.49 C ATOM 800 CG GLN A 90 13.343 14.093 36.575 1.00 14.06 C ATOM 801 CD GLN A 90 11.883 14.336 36.902 1.00 21.14 C ATOM 802 OE1 GLN A 90 11.198 15.097 36.218 1.00 24.31 O ATOM 803 NE2 GLN A 90 11.398 13.686 37.951 1.00 29.21 N ATOM 804 HE22 GLN A 90 12.013 13.053 38.500 1.00 0.00 H ATOM 805 HE21 GLN A 90 10.402 13.809 38.224 1.00 0.00 H ATOM 806 H GLN A 90 15.975 15.985 35.256 1.00 0.00 H ATOM 807 N ARG A 91 15.148 13.015 32.562 1.00 9.54 N ATOM 808 CA ARG A 91 15.428 12.919 31.138 1.00 8.34 C ATOM 809 C ARG A 91 14.485 11.908 30.511 1.00 10.65 C ATOM 810 O ARG A 91 14.229 10.849 31.090 1.00 11.43 O ATOM 811 CB ARG A 91 16.882 12.501 30.886 1.00 9.92 C ATOM 812 CG ARG A 91 17.223 12.230 29.424 1.00 9.60 C ATOM 813 CD ARG A 91 18.657 11.751 29.280 1.00 11.44 C ATOM 814 NE ARG A 91 19.598 12.647 29.937 1.00 11.82 N ATOM 815 CZ ARG A 91 20.841 12.315 30.258 1.00 13.30 C ATOM 816 NH1 ARG A 91 21.296 11.101 29.988 1.00 13.71 N ATOM 817 NH2 ARG A 91 21.628 13.197 30.855 1.00 12.08 N ATOM 818 HE ARG A 91 19.275 13.608 30.169 1.00 0.00 H ATOM 819 HH12 ARG A 91 22.271 10.843 30.241 1.00 0.00 H ATOM 820 HH11 ARG A 91 20.678 10.406 29.523 1.00 0.00 H ATOM 821 HH22 ARG A 91 22.603 12.937 31.107 1.00 0.00 H ATOM 822 HH21 ARG A 91 21.271 14.149 31.072 1.00 0.00 H ATOM 823 H ARG A 91 14.844 12.163 33.075 1.00 0.00 H ATOM 824 N GLU A 92 13.984 12.237 29.325 1.00 12.39 N ATOM 825 CA GLU A 92 13.233 11.272 28.536 1.00 14.60 C ATOM 826 C GLU A 92 14.209 10.385 27.776 1.00 15.52 C ATOM 827 O GLU A 92 15.102 10.880 27.080 1.00 16.16 O ATOM 828 CB GLU A 92 12.289 11.977 27.564 1.00 15.64 C ATOM 829 CG GLU A 92 11.249 12.849 28.230 1.00 16.73 C ATOM 830 CD GLU A 92 10.389 13.578 27.226 1.00 28.77 C ATOM 831 OE1 GLU A 92 10.605 13.391 26.010 1.00 31.68 O ATOM 832 OE2 GLU A 92 9.500 14.343 27.654 1.00 32.31 O ATOM 833 H GLU A 92 14.131 13.198 28.955 1.00 0.00 H ATOM 834 N VAL A 93 14.040 9.074 27.918 1.00 13.45 N ATOM 835 CA VAL A 93 14.949 8.085 27.358 1.00 15.28 C ATOM 836 C VAL A 93 14.145 7.136 26.482 1.00 21.41 C ATOM 837 O VAL A 93 13.037 6.731 26.848 1.00 22.57 O ATOM 838 CB VAL A 93 15.687 7.312 28.472 1.00 20.29 C ATOM 839 CG1 VAL A 93 16.635 6.275 27.882 1.00 25.47 C ATOM 840 CG2 VAL A 93 16.436 8.281 29.382 1.00 20.51 C ATOM 841 H VAL A 93 13.216 8.738 28.457 1.00 0.00 H ATOM 842 N THR A 94 14.703 6.787 25.328 1.00 27.46 N ATOM 843 CA THR A 94 14.047 5.854 24.421 1.00 31.85 C ATOM 844 C THR A 94 13.845 4.507 25.110 1.00 34.26 C ATOM 845 O THR A 94 13.049 3.680 24.661 1.00 37.13 O ATOM 846 CB THR A 94 14.861 5.644 23.133 1.00 33.19 C ATOM 847 OG1 THR A 94 16.106 5.013 23.450 1.00 32.97 O ATOM 848 CG2 THR A 94 15.130 6.972 22.439 1.00 31.97 C ATOM 849 HG1 THR A 94 16.628 4.879 22.619 1.00 0.00 H ATOM 850 H THR A 94 15.626 7.188 25.067 1.00 0.00 H TER 851 THR A 94 HETATM 852 O HOH 1 27.708 17.534 22.771 1.00 30.46 O HETATM 853 O HOH 2 37.448 31.152 32.262 1.00 26.64 O HETATM 854 O HOH 3 9.695 29.014 43.756 1.00 30.14 O HETATM 855 O HOH 4 11.637 12.640 23.992 1.00 30.08 O HETATM 856 O HOH 5 13.858 14.831 47.241 1.00 28.90 O HETATM 857 O HOH 6 33.013 22.594 50.834 1.00 30.56 O HETATM 858 O HOH 7 30.617 27.061 27.775 1.00 25.83 O HETATM 859 O HOH 8 25.657 36.511 41.024 1.00 29.44 O HETATM 860 O HOH 9 -0.058 20.209 30.204 1.00 27.30 O HETATM 861 O HOH 10 4.457 24.538 35.179 1.00 27.17 O HETATM 862 O HOH 11 26.285 10.023 36.225 1.00 16.04 O HETATM 863 O HOH 12 26.613 15.187 27.043 1.00 27.17 O HETATM 864 O HOH 13 22.481 37.971 44.810 1.00 27.09 O HETATM 865 O HOH 14 29.360 15.776 23.275 1.00 19.18 O HETATM 866 O HOH 15 26.540 34.011 32.175 1.00 19.14 O HETATM 867 O HOH 16 7.010 23.695 24.575 1.00 13.77 O HETATM 868 O HOH 17 33.378 23.891 46.799 1.00 18.02 O HETATM 869 O HOH 18 22.339 30.895 19.396 1.00 19.09 O HETATM 870 O HOH 19 18.904 9.311 25.687 1.00 30.46 O HETATM 871 O HOH 20 17.161 20.033 49.910 1.00 17.65 O HETATM 872 O HOH 21 18.215 23.540 23.555 1.00 27.49 O HETATM 873 O HOH 22 35.247 22.394 25.519 1.00 29.76 O HETATM 874 O HOH 23 31.275 28.980 37.423 1.00 38.17 O HETATM 875 O HOH 24 31.077 13.715 42.770 1.00 23.98 O HETATM 876 O HOH 25 36.002 22.438 40.566 1.00 27.69 O HETATM 877 O HOH 26 29.939 21.064 28.972 1.00 10.25 O HETATM 878 O HOH 27 11.529 8.719 36.953 1.00 27.70 O HETATM 879 O HOH 28 31.718 13.361 35.766 1.00 9.93 O HETATM 880 O HOH 29 17.581 15.300 27.688 1.00 10.25 O HETATM 881 O HOH 30 12.664 31.379 30.850 1.00 16.85 O HETATM 882 O HOH 31 23.895 29.057 18.802 1.00 27.11 O HETATM 883 O HOH 32 10.742 25.769 31.687 1.00 10.99 O HETATM 884 O HOH 33 13.481 32.792 44.604 1.00 20.62 O HETATM 885 O HOH 34 23.228 30.158 26.382 1.00 21.90 O HETATM 886 O HOH 35 2.276 21.670 37.766 1.00 18.44 O HETATM 887 O HOH 36 28.951 13.749 24.662 1.00 32.12 O HETATM 888 O HOH 37 13.349 22.504 37.702 1.00 16.93 O HETATM 889 O HOH 38 8.432 18.323 31.734 1.00 27.47 O HETATM 890 O HOH 39 9.101 22.200 38.091 1.00 24.79 O HETATM 891 O HOH 40 17.325 11.192 25.505 1.00 31.64 O HETATM 892 O HOH 41 5.584 30.502 33.876 1.00 21.08 O HETATM 893 O HOH 42 18.215 25.860 23.555 1.00 29.25 O HETATM 894 O HOH 43 4.964 25.341 37.786 1.00 30.42 O HETATM 895 O HOH 44 10.213 5.796 33.947 1.00 30.49 O HETATM 896 O HOH 45 29.596 12.567 27.300 1.00 27.35 O HETATM 897 O HOH 46 5.986 6.910 29.306 1.00 20.25 O HETATM 898 O HOH 47 14.701 35.062 37.712 1.00 12.77 O HETATM 899 O HOH 48 19.200 15.696 24.230 1.00 16.07 O HETATM 900 O HOH 49 7.136 23.517 36.734 1.00 20.11 O HETATM 901 O HOH 50 22.427 8.223 40.794 1.00 28.94 O HETATM 902 O HOH 51 9.583 17.038 37.407 1.00 26.92 O HETATM 903 O HOH 52 27.116 19.432 23.129 1.00 25.03 O HETATM 904 O HOH 53 23.406 35.745 38.741 1.00 31.92 O HETATM 905 O HOH 54 21.972 16.610 44.114 1.00 13.10 O HETATM 906 O HOH 55 26.575 26.989 27.687 1.00 18.75 O HETATM 907 O HOH 56 9.677 24.694 23.518 1.00 25.81 O HETATM 908 O HOH 57 23.237 8.925 27.211 1.00 25.20 O HETATM 909 O HOH 58 14.647 6.805 37.455 1.00 25.65 O HETATM 910 O HOH 59 32.280 20.909 45.679 1.00 26.78 O HETATM 911 O HOH 60 35.574 15.192 37.351 1.00 22.60 O HETATM 912 O HOH 61 35.175 18.900 34.444 1.00 16.16 O HETATM 913 O HOH 62 18.551 13.442 46.193 1.00 30.56 O HETATM 914 O HOH 63 32.931 17.356 34.768 1.00 12.76 O HETATM 915 O HOH 64 30.689 27.638 43.594 1.00 12.99 O HETATM 916 O HOH 65 28.298 12.067 35.966 1.00 9.82 O HETATM 917 O HOH 66 17.530 16.710 48.596 1.00 26.23 O HETATM 918 O HOH 67 9.682 33.217 42.579 1.00 29.54 O HETATM 919 O HOH 68 5.655 33.451 27.427 1.00 27.66 O HETATM 920 O HOH 69 5.703 23.354 38.533 1.00 28.55 O HETATM 921 O HOH 70 18.556 6.000 37.563 1.00 27.90 O HETATM 922 O HOH 71 31.617 11.152 29.091 1.00 18.59 O HETATM 923 O HOH 72 22.641 8.339 38.052 1.00 16.63 O HETATM 924 O HOH 73 32.881 25.765 28.982 1.00 31.37 O HETATM 925 O HOH 74 13.112 17.891 27.425 1.00 29.02 O HETATM 926 O HOH 75 22.316 14.205 44.969 1.00 28.52 O HETATM 927 O HOH 76 12.596 38.093 36.667 1.00 12.83 O HETATM 928 O HOH 77 30.935 26.942 47.109 1.00 12.71 O HETATM 929 O HOH 78 14.581 14.877 28.261 1.00 15.69 O HETATM 930 O HOH 79 26.349 27.762 22.629 1.00 29.11 O HETATM 931 O HOH 80 18.668 9.300 40.422 1.00 26.46 O HETATM 932 O HOH 81 15.330 26.738 45.069 1.00 28.07 O HETATM 933 O HOH 82 22.574 4.697 28.581 1.00 25.92 O HETATM 934 O HOH 83 15.265 34.954 43.030 1.00 20.87 O HETATM 935 O HOH 84 24.408 22.658 23.138 1.00 11.94 O HETATM 936 O HOH 85 18.351 2.798 29.367 1.00 29.99 O HETATM 937 O HOH 86 12.630 24.452 44.439 1.00 18.41 O HETATM 938 O HOH 87 6.719 28.470 26.176 1.00 28.30 O HETATM 939 O HOH 88 8.495 33.483 40.219 1.00 27.85 O HETATM 940 O HOH 89 27.070 26.016 25.541 1.00 31.47 O HETATM 941 O HOH 90 31.308 30.332 40.007 1.00 22.55 O HETATM 942 O HOH 91 33.219 27.009 42.751 1.00 15.21 O HETATM 943 O HOH 92 32.884 15.422 38.954 1.00 26.58 O HETATM 944 O HOH 93 20.632 39.133 37.282 1.00 25.32 O HETATM 945 O HOH 94 23.362 17.493 24.575 1.00 17.70 O HETATM 946 O HOH 95 13.110 30.446 43.712 1.00 17.83 O HETATM 947 O HOH 96 16.549 12.598 44.548 1.00 30.24 O HETATM 948 O HOH 97 25.721 17.125 24.950 1.00 26.73 O HETATM 949 O HOH 98 25.423 8.441 38.993 1.00 25.73 O HETATM 950 O HOH 99 0.549 19.207 32.441 1.00 31.82 O HETATM 951 O HOH 100 10.878 23.306 46.274 1.00 27.91 O HETATM 952 O HOH 101 37.928 21.091 41.624 1.00 26.15 O HETATM 953 O HOH 102 13.753 15.131 25.937 1.00 31.79 O HETATM 954 O HOH 103 12.368 27.069 45.108 1.00 29.74 O HETATM 955 O HOH 104 33.711 26.566 45.816 1.00 29.56 O HETATM 956 O HOH 105 17.530 12.531 49.135 1.00 30.90 O HETATM 957 O HOH 106 21.834 3.508 31.352 1.00 27.91 O HETATM 958 O HOH 107 19.664 38.906 45.673 1.00 27.42 O HETATM 959 O HOH 108 33.389 24.462 52.596 1.00 29.51 O HETATM 960 O HOH 109 13.991 15.289 49.974 1.00 29.82 O HETATM 961 O HOH 110 4.258 31.049 39.296 1.00 29.32 O HETATM 962 O HOH 111 18.038 40.018 41.531 1.00 29.70 O HETATM 963 O HOH 112 33.842 14.546 34.738 1.00 20.77 O HETATM 964 O HOH 113 18.567 13.367 25.878 1.00 15.77 O HETATM 965 O HOH 114 16.147 16.432 50.745 1.00 27.98 O HETATM 966 O HOH 115 35.968 22.914 47.487 1.00 30.12 O HETATM 967 O HOH 116 12.704 16.926 45.234 1.00 31.94 O HETATM 968 O HOH 117 24.112 19.633 22.429 1.00 20.56 O HETATM 969 O HOH 118 7.581 28.934 45.059 1.00 29.14 O HETATM 970 O HOH 119 10.922 32.794 46.169 1.00 25.53 O HETATM 971 O HOH 120 21.823 15.360 23.226 1.00 24.73 O HETATM 972 O HOH 121 33.191 14.407 41.475 1.00 31.04 O HETATM 973 O HOH 122 20.571 12.549 24.493 1.00 32.35 O HETATM 974 O HOH 123 5.904 32.299 41.086 1.00 27.29 O HETATM 975 O HOH 124 31.175 15.680 44.972 1.00 26.42 O HETATM 976 O HOH 125 36.167 11.932 30.350 1.00 35.42 O HETATM 977 O HOH 126 11.696 26.942 47.109 1.00 28.70 O HETATM 978 O HOH 127 36.158 15.368 33.327 1.00 33.12 O HETATM 979 O HOH 128 9.213 37.954 26.986 1.00 29.12 O HETATM 980 O HOH 129 28.555 27.830 29.252 1.00 19.40 O HETATM 981 O HOH 130 30.563 30.077 35.137 1.00 21.64 O HETATM 982 O HOH 131 20.720 35.573 31.653 1.00 28.26 O HETATM 983 O HOH 132 18.557 35.795 29.413 1.00 16.62 O HETATM 984 O HOH 133 22.827 32.302 27.097 1.00 19.36 O HETATM 985 O HOH 134 22.657 35.827 29.732 1.00 31.78 O HETATM 986 N LEU A 135 5.991 37.453 29.863 1.00 0.24 N HETATM 987 CA LEU A 135 6.874 36.806 30.819 1.00 0.07 C HETATM 988 C LEU A 135 8.298 36.880 30.320 1.00 0.23 C HETATM 989 O LEU A 135 8.530 36.899 29.110 1.00 -0.39 O HETATM 990 N LEU A 135 9.257 36.913 31.238 1.00 -0.25 N HETATM 991 CA LEU A 135 10.657 36.887 30.818 1.00 0.13 C HETATM 992 C LEU A 135 10.987 35.556 30.171 1.00 0.20 C HETATM 993 O LEU A 135 10.422 34.515 30.515 1.00 -0.39 O HETATM 994 N LEU A 135 11.899 35.605 29.211 1.00 -0.26 N HETATM 995 CA LEU A 135 12.457 34.408 28.594 1.00 0.15 C HETATM 996 C LEU A 135 13.954 34.462 28.864 1.00 0.21 C HETATM 997 O LEU A 135 14.693 35.156 28.161 1.00 -0.39 O HETATM 998 N LEU A 135 14.391 33.745 29.894 1.00 -0.26 N HETATM 999 CA LEU A 135 15.768 33.796 30.357 1.00 0.14 C HETATM 1000 C LEU A 135 16.528 32.567 29.883 1.00 0.21 C HETATM 1001 O LEU A 135 15.986 31.458 29.861 1.00 -0.39 O HETATM 1002 N LEU A 135 17.782 32.779 29.495 1.00 -0.26 N HETATM 1003 CA LEU A 135 18.737 31.703 29.271 1.00 0.13 C HETATM 1004 C LEU A 135 20.094 32.208 29.724 1.00 0.20 C HETATM 1005 O LEU A 135 20.529 33.282 29.298 1.00 -0.39 O HETATM 1006 N LEU A 135 20.752 31.448 30.594 1.00 -0.26 N HETATM 1007 CA LEU A 135 21.992 31.878 31.226 1.00 0.16 C HETATM 1008 C LEU A 135 23.046 30.807 31.016 1.00 0.21 C HETATM 1009 O LEU A 135 22.844 29.649 31.404 1.00 -0.39 O HETATM 1010 N LEU A 135 24.160 31.191 30.398 1.00 -0.26 N HETATM 1011 CA LEU A 135 25.302 30.311 30.208 1.00 0.13 C HETATM 1012 C LEU A 135 26.172 30.322 31.455 1.00 0.20 C HETATM 1013 O LEU A 135 26.407 31.378 32.051 1.00 -0.39 O HETATM 1014 N LEU A 135 26.659 29.143 31.835 1.00 -0.27 N HETATM 1015 CA LEU A 135 27.339 28.963 33.113 1.00 0.09 C HETATM 1016 C LEU A 135 28.567 28.078 32.965 1.00 0.06 C HETATM 1017 O LEU A 135 29.377 27.969 33.886 1.00 -0.57 O HETATM 1018 OXT LEU A 135 28.771 27.448 31.928 1.00 -0.57 O HETATM 1019 CB LEU A 135 26.380 28.356 34.142 1.00 -0.02 C HETATM 1020 CG LEU A 135 25.154 29.213 34.462 1.00 -0.04 C HETATM 1021 CD1 LEU A 135 24.099 28.411 35.214 1.00 -0.06 C HETATM 1022 H58 LEU A 135 23.233 29.055 35.428 1.00 0.02 H HETATM 1023 H59 LEU A 135 24.524 28.041 36.159 1.00 0.02 H HETATM 1024 H60 LEU A 135 23.779 27.558 34.598 1.00 0.02 H HETATM 1025 CD2 LEU A 135 25.562 30.440 35.260 1.00 -0.06 C HETATM 1026 H61 LEU A 135 26.323 31.005 34.701 1.00 0.02 H HETATM 1027 H62 LEU A 135 25.977 30.126 36.229 1.00 0.02 H HETATM 1028 H63 LEU A 135 24.682 31.078 35.427 1.00 0.02 H HETATM 1029 H57 LEU A 135 24.714 29.550 33.512 1.00 0.03 H HETATM 1030 H55 LEU A 135 26.938 28.195 35.076 1.00 0.03 H HETATM 1031 H56 LEU A 135 26.029 27.389 33.753 1.00 0.03 H HETATM 1032 H54 LEU A 135 27.663 29.950 33.475 1.00 0.07 H HETATM 1033 H53 LEU A 135 26.556 28.357 31.226 1.00 0.19 H HETATM 1034 CB LEU A 135 26.123 30.749 28.996 1.00 -0.02 C HETATM 1035 H50 LEU A 135 26.980 30.072 28.870 1.00 0.03 H HETATM 1036 H51 LEU A 135 26.486 31.776 29.151 1.00 0.03 H HETATM 1037 H52 LEU A 135 25.493 30.715 28.095 1.00 0.03 H HETATM 1038 H49 LEU A 135 24.936 29.288 30.037 1.00 0.08 H HETATM 1039 H48 LEU A 135 24.214 32.126 30.049 1.00 0.19 H HETATM 1040 CB LEU A 135 21.783 32.151 32.718 1.00 0.09 C HETATM 1041 OG1 LEU A 135 20.755 33.137 32.884 1.00 -0.39 O HETATM 1042 H44 LEU A 135 21.015 33.940 32.448 1.00 0.21 H HETATM 1043 CG2 LEU A 135 23.067 32.655 33.358 1.00 -0.03 C HETATM 1044 H45 LEU A 135 22.894 32.844 34.428 1.00 0.03 H HETATM 1045 H46 LEU A 135 23.380 33.588 32.867 1.00 0.03 H HETATM 1046 H47 LEU A 135 23.856 31.897 33.243 1.00 0.03 H HETATM 1047 H43 LEU A 135 21.476 31.218 33.214 1.00 0.06 H HETATM 1048 H42 LEU A 135 22.330 32.809 30.747 1.00 0.08 H HETATM 1049 H41 LEU A 135 20.382 30.548 30.823 1.00 0.19 H HETATM 1050 CB LEU A 135 18.787 31.266 27.801 1.00 -0.00 C HETATM 1051 CG LEU A 135 19.724 30.095 27.551 1.00 0.00 C HETATM 1052 CD LEU A 135 19.518 29.454 26.190 1.00 0.04 C HETATM 1053 OE1 LEU A 135 18.491 29.742 25.540 1.00 -0.57 O HETATM 1054 OE2 LEU A 135 20.378 28.655 25.770 1.00 -0.57 O HETATM 1055 H39 LEU A 135 19.551 29.335 28.327 1.00 0.04 H HETATM 1056 H40 LEU A 135 20.761 30.455 27.616 1.00 0.04 H HETATM 1057 H37 LEU A 135 19.126 32.119 27.195 1.00 0.03 H HETATM 1058 H38 LEU A 135 17.773 30.974 27.489 1.00 0.03 H HETATM 1059 H36 LEU A 135 18.448 30.834 29.881 1.00 0.08 H HETATM 1060 H35 LEU A 135 18.083 33.721 29.350 1.00 0.19 H HETATM 1061 CB LEU A 135 15.830 33.870 31.885 1.00 0.02 C HETATM 1062 CG LEU A 135 15.377 35.187 32.458 1.00 -0.04 C HETATM 1063 CD1 LEU A 135 15.820 36.385 31.925 1.00 -0.06 C HETATM 1064 CE1 LEU A 135 15.406 37.594 32.455 1.00 -0.07 C HETATM 1065 CZ LEU A 135 14.540 37.615 33.527 1.00 -0.07 C HETATM 1066 CE2 LEU A 135 14.091 36.429 34.072 1.00 -0.07 C HETATM 1067 CD2 LEU A 135 14.508 35.222 33.536 1.00 -0.06 C HETATM 1068 H31 LEU A 135 14.150 34.293 33.965 1.00 0.06 H HETATM 1069 H33 LEU A 135 13.413 36.442 34.918 1.00 0.06 H HETATM 1070 H34 LEU A 135 14.212 38.561 33.941 1.00 0.06 H HETATM 1071 H32 LEU A 135 15.762 38.524 32.027 1.00 0.06 H HETATM 1072 H30 LEU A 135 16.500 36.376 31.081 1.00 0.06 H HETATM 1073 H28 LEU A 135 16.871 33.698 32.197 1.00 0.05 H HETATM 1074 H29 LEU A 135 15.188 33.076 32.295 1.00 0.05 H HETATM 1075 H27 LEU A 135 16.246 34.694 29.939 1.00 0.08 H HETATM 1076 H26 LEU A 135 13.747 33.146 30.370 1.00 0.19 H HETATM 1077 CB LEU A 135 12.146 34.350 27.103 1.00 0.08 C HETATM 1078 OG LEU A 135 12.457 33.072 26.576 1.00 -0.39 O HETATM 1079 H25 LEU A 135 12.257 33.056 25.648 1.00 0.21 H HETATM 1080 H23 LEU A 135 12.743 35.111 26.580 1.00 0.06 H HETATM 1081 H24 LEU A 135 11.076 34.553 26.949 1.00 0.06 H HETATM 1082 H22 LEU A 135 12.030 33.514 29.072 1.00 0.08 H HETATM 1083 H21 LEU A 135 12.217 36.499 28.897 1.00 0.19 H HETATM 1084 CB LEU A 135 11.427 37.081 32.128 1.00 -0.01 C HETATM 1085 CG LEU A 135 10.527 36.495 33.159 1.00 -0.03 C HETATM 1086 CD LEU A 135 9.128 36.829 32.705 1.00 0.04 C HETATM 1087 H19 LEU A 135 8.421 36.037 32.993 1.00 0.05 H HETATM 1088 H20 LEU A 135 8.796 37.789 33.127 1.00 0.05 H HETATM 1089 H17 LEU A 135 10.729 36.941 34.144 1.00 0.03 H HETATM 1090 H18 LEU A 135 10.664 35.405 33.215 1.00 0.03 H HETATM 1091 H15 LEU A 135 11.604 38.149 32.324 1.00 0.03 H HETATM 1092 H16 LEU A 135 12.389 36.549 32.100 1.00 0.03 H HETATM 1093 H14 LEU A 135 10.874 37.702 30.112 1.00 0.08 H HETATM 1094 CB LEU A 135 6.481 35.346 31.035 1.00 0.01 C HETATM 1095 CG LEU A 135 5.119 35.093 31.676 1.00 -0.04 C HETATM 1096 CD1 LEU A 135 4.854 33.596 31.755 1.00 -0.06 C HETATM 1097 H8 LEU A 135 3.871 33.422 32.218 1.00 0.02 H HETATM 1098 H9 LEU A 135 5.636 33.117 32.363 1.00 0.02 H HETATM 1099 H10 LEU A 135 4.863 33.168 30.742 1.00 0.02 H HETATM 1100 CD2 LEU A 135 5.042 35.723 33.048 1.00 -0.06 C HETATM 1101 H11 LEU A 135 5.236 36.803 32.967 1.00 0.02 H HETATM 1102 H12 LEU A 135 5.795 35.263 33.705 1.00 0.02 H HETATM 1103 H13 LEU A 135 4.039 35.562 33.470 1.00 0.02 H HETATM 1104 H7 LEU A 135 4.346 35.551 31.042 1.00 0.03 H HETATM 1105 H5 LEU A 135 7.244 34.887 31.680 1.00 0.03 H HETATM 1106 H6 LEU A 135 6.485 34.850 30.053 1.00 0.03 H HETATM 1107 H4 LEU A 135 6.803 37.336 31.780 1.00 0.11 H HETATM 1108 H1 LEU A 135 5.041 37.404 30.196 1.00 0.20 H HETATM 1109 H2 LEU A 135 6.059 36.986 28.973 1.00 0.20 H HETATM 1110 H3 LEU A 135 6.260 38.419 29.757 1.00 0.20 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 986 987 1108 1109 1110 CONECT 987 986 988 1094 1107 CONECT 988 987 989 990 CONECT 989 988 CONECT 990 988 991 1086 CONECT 991 990 992 1084 1093 CONECT 992 991 993 994 CONECT 993 992 CONECT 994 992 995 1083 CONECT 995 994 996 1077 1082 CONECT 996 995 997 998 CONECT 997 996 CONECT 998 996 999 1076 CONECT 999 998 1000 1061 1075 CONECT 1000 999 1001 1002 CONECT 1001 1000 CONECT 1002 1000 1003 1060 CONECT 1003 1002 1004 1050 1059 CONECT 1004 1003 1005 1006 CONECT 1005 1004 CONECT 1006 1004 1007 1049 CONECT 1007 1006 1008 1040 1048 CONECT 1008 1007 1009 1010 CONECT 1009 1008 CONECT 1010 1008 1011 1039 CONECT 1011 1010 1012 1034 1038 CONECT 1012 1011 1013 1014 CONECT 1013 1012 CONECT 1014 1012 1015 1033 CONECT 1015 1014 1016 1019 1032 CONECT 1016 1015 1017 1018 CONECT 1017 1016 CONECT 1018 1016 CONECT 1019 1015 1020 1030 1031 CONECT 1020 1019 1021 1025 1029 CONECT 1021 1020 1022 1023 1024 CONECT 1022 1021 CONECT 1023 1021 CONECT 1024 1021 CONECT 1025 1020 1026 1027 1028 CONECT 1026 1025 CONECT 1027 1025 CONECT 1028 1025 CONECT 1029 1020 CONECT 1030 1019 CONECT 1031 1019 CONECT 1032 1015 CONECT 1033 1014 CONECT 1034 1011 1035 1036 1037 CONECT 1035 1034 CONECT 1036 1034 CONECT 1037 1034 CONECT 1038 1011 CONECT 1039 1010 CONECT 1040 1007 1041 1043 1047 CONECT 1041 1040 1042 CONECT 1042 1041 CONECT 1043 1040 1044 1045 1046 CONECT 1044 1043 CONECT 1045 1043 CONECT 1046 1043 CONECT 1047 1040 CONECT 1048 1007 CONECT 1049 1006 CONECT 1050 1003 1051 1057 1058 CONECT 1051 1050 1052 1055 1056 CONECT 1052 1051 1053 1054 CONECT 1053 1052 CONECT 1054 1052 CONECT 1055 1051 CONECT 1056 1051 CONECT 1057 1050 CONECT 1058 1050 CONECT 1059 1003 CONECT 1060 1002 CONECT 1061 999 1062 1073 1074 CONECT 1062 1061 1063 1067 CONECT 1063 1062 1064 1072 CONECT 1064 1063 1065 1071 CONECT 1065 1064 1066 1070 CONECT 1066 1065 1067 1069 CONECT 1067 1062 1066 1068 CONECT 1068 1067 CONECT 1069 1066 CONECT 1070 1065 CONECT 1071 1064 CONECT 1072 1063 CONECT 1073 1061 CONECT 1074 1061 CONECT 1075 999 CONECT 1076 998 CONECT 1077 995 1078 1080 1081 CONECT 1078 1077 1079 CONECT 1079 1078 CONECT 1080 1077 CONECT 1081 1077 CONECT 1082 995 CONECT 1083 994 CONECT 1084 991 1085 1091 1092 CONECT 1085 1084 1086 1089 1090 CONECT 1086 990 1085 1087 1088 CONECT 1087 1086 CONECT 1088 1086 CONECT 1089 1085 CONECT 1090 1085 CONECT 1091 1084 CONECT 1092 1084 CONECT 1093 991 CONECT 1094 987 1095 1105 1106 CONECT 1095 1094 1096 1100 1104 CONECT 1096 1095 1097 1098 1099 CONECT 1097 1096 CONECT 1098 1096 CONECT 1099 1096 CONECT 1100 1095 1101 1102 1103 CONECT 1101 1100 CONECT 1102 1100 CONECT 1103 1100 CONECT 1104 1095 CONECT 1105 1094 CONECT 1106 1094 CONECT 1107 987 CONECT 1108 986 CONECT 1109 986 CONECT 1110 986 MASTER 0 0 0 0 0 0 0 0 1109 1 129 8 END
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2w16
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3avh
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3avi
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3h85
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3i91
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3jvk
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3n5e
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3qg6
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3rwh
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3rwj
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3uqp
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4ii9
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4jiz
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4lkm
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PDBbind
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5tkk
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5vwi
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PDBbind
8-mer
5vwk
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PDBbind
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5wtt
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PDBbind
8-mer
5xjm
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PDBbind
8-mer
5xn3
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8-mer
5yba
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PDBbind
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6cdm
RCSB PDB
PDBbind
8-mer
6cdo
RCSB PDB
PDBbind
8-mer
6cdp
RCSB PDB
PDBbind
8-mer
6e86
RCSB PDB
PDBbind
8-mer
6eww
RCSB PDB
PDBbind
8-mer
6fau
RCSB PDB
PDBbind
8-mer
6fav
RCSB PDB
PDBbind
8-mer
6faw
RCSB PDB
PDBbind
8-mer
6fbw
RCSB PDB
PDBbind
8-mer
6fby
RCSB PDB
PDBbind
8-mer
6fel
RCSB PDB
PDBbind
8-mer
6fi4
RCSB PDB
PDBbind
8-mer
6fi5
RCSB PDB
PDBbind
8-mer
6fmp
RCSB PDB
PDBbind
8-mer
6fx1
RCSB PDB
PDBbind
8-mer
6hpg
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PDBbind
8-mer
6min
RCSB PDB
PDBbind
8-mer
6miq
RCSB PDB
PDBbind
8-mer
6q3q
RCSB PDB
PDBbind
8-mer
6r0x
RCSB PDB
PDBbind
8-mer
6qk8
RCSB PDB
PDBbind
8-mer
6q4q
RCSB PDB
PDBbind
8-mer
6mtv
RCSB PDB
PDBbind
8-mer
6mtu
RCSB PDB
PDBbind
8-mer
6ms1
RCSB PDB
PDBbind
8-mer
6mqe
RCSB PDB
PDBbind
8-mer
6mqc
RCSB PDB
PDBbind
8-mer
6jax
RCSB PDB
PDBbind
8-mer
6hmt
RCSB PDB
PDBbind
8-mer
6hhp
RCSB PDB
PDBbind
8-mer
6dtn
RCSB PDB
PDBbind
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6dql
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PDBbind
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6do1
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Entry Information
PDB ID
5wou
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
PDZ1
Ligand Name
8-mer
EC.Number
E.C.-.-.-.-
Resolution
1.55(Å)
Affinity (Kd/Ki/IC50)
Kd=664nM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2018) J. Biol. Chem. Vol. 293: pp. 4519-4531
Ligand Properties
Formula
C
4
1
H
6
5
N
8
O
1
3
Molecular Weight
878.001
Exact Mass
877.467
No. of atoms
127
No. of bonds
128
Polar Surface Area
337.61
LOGP Value
-0.09 (
Computed with XLOGP3
)
-0.54 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 9
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 32
No. of Nitrogen and Oxygen Atoms: 21
No. of Rings: 2
Canonical SMILES
OC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)C)[C@H](O)C)CCC(=O)O)Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)[NH3+]
InChI String
InChI=1S/C41H64N8O13/c1-21(2)17-26(42)40(60)49-16-10-13-31(49)38(58)47-30(20-50)37(57)45-28(19-25-11-8-7-9-12-25)36(56)44-27(14-15-32(52)53)35(55)48-33(24(6)51)39(59)43-23(5)34(54)46-29(41(61)62)18-22(3)4/h7-9,11-12,21-24,26-31,33,50-51H,10,13-20,42H2,1-6H3,(H,43,59)(H,44,56)(H,45,57)(H,46,54)(H,47,58)(H,48,55)(H,52,53)(H,61,62)/p+1/t23-,24+,26-,27-,28-,29-,30-,31-,33-/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):
Q7KRY7
Q9VE13
Entrez Gene ID
NCBI Entrez Gene ID:
44448
53563
ASD
Information of known allosteric effects of PDB entries
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