Browse entries in the PDBbind-CN Database
HEADER 5EU1_COMPLEX COMPND 5EU1_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 SER THR PRO ILE GLN GLN LEU LEU GLU HIS PHE LEU ARG SEQRES 2 A 113 GLN LEU GLN ARG LYS ASP PRO HIS GLY PHE PHE ALA PHE SEQRES 3 A 113 PRO VAL THR ASP ALA ILE ALA PRO GLY TYR SER MET ILE SEQRES 4 A 113 ILE LYS HIS PRO MET ASP PHE GLY THR MET LYS ASP LYS SEQRES 5 A 113 ILE VAL ALA ASN GLU TYR LYS SER VAL THR GLU PHE LYS SEQRES 6 A 113 ALA ASP PHE LYS LEU MET CYS ASP ASN ALA MET THR TYR SEQRES 7 A 113 ASN ARG PRO ASP THR VAL TYR TYR LYS LEU ALA LYS LYS SEQRES 8 A 113 ILE LEU HIS ALA GLY PHE LYS MET MET SER LYS GLU ARG SEQRES 9 A 113 LEU LEU ALA LEU LYS ARG SER MET SER HET UNN A 300 50 ATOM 1 N SER A 22 6.702 25.645 16.344 1.00 52.95 N ATOM 2 CA SER A 22 7.811 24.983 15.651 1.00 50.22 C ATOM 3 C SER A 22 9.036 25.898 15.578 1.00 52.22 C ATOM 4 O SER A 22 8.900 27.115 15.698 1.00 54.86 O ATOM 5 CB SER A 22 7.388 24.556 14.251 1.00 52.83 C ATOM 6 OG SER A 22 8.332 23.666 13.675 1.00 60.46 O ATOM 7 HG SER A 22 8.030 23.408 12.768 1.00 0.00 H ATOM 8 HN3 SER A 22 6.442 26.511 15.831 1.00 0.00 H ATOM 9 HN2 SER A 22 6.995 25.889 17.312 1.00 0.00 H ATOM 10 HN1 SER A 22 5.884 25.003 16.380 1.00 0.00 H ATOM 11 N THR A 23 10.230 25.308 15.421 1.00 44.33 N ATOM 12 CA THR A 23 11.490 26.047 15.346 1.00 42.07 C ATOM 13 C THR A 23 12.033 26.041 13.907 1.00 41.73 C ATOM 14 O THR A 23 11.642 25.167 13.129 1.00 38.61 O ATOM 15 CB THR A 23 12.545 25.432 16.296 1.00 47.47 C ATOM 16 OG1 THR A 23 12.875 24.108 15.858 1.00 45.18 O ATOM 17 CG2 THR A 23 12.127 25.446 17.753 1.00 48.01 C ATOM 18 HG1 THR A 23 12.060 23.547 15.864 1.00 0.00 H ATOM 19 H THR A 23 10.262 24.271 15.349 1.00 0.00 H ATOM 20 N PRO A 24 12.998 26.928 13.547 1.00 37.86 N ATOM 21 CA PRO A 24 13.560 26.874 12.193 1.00 36.00 C ATOM 22 C PRO A 24 14.192 25.518 11.837 1.00 37.67 C ATOM 23 O PRO A 24 13.954 25.026 10.742 1.00 36.08 O ATOM 24 CB PRO A 24 14.586 28.008 12.205 1.00 38.44 C ATOM 25 CG PRO A 24 14.059 28.972 13.227 1.00 44.93 C ATOM 26 CD PRO A 24 13.569 28.063 14.307 1.00 41.53 C ATOM 27 N ILE A 25 14.958 24.892 12.760 1.00 35.54 N ATOM 28 CA ILE A 25 15.573 23.573 12.512 1.00 34.75 C ATOM 29 C ILE A 25 14.487 22.498 12.262 1.00 34.99 C ATOM 30 O ILE A 25 14.624 21.716 11.328 1.00 33.88 O ATOM 31 CB ILE A 25 16.632 23.151 13.584 1.00 39.71 C ATOM 32 CG1 ILE A 25 17.336 21.809 13.231 1.00 40.40 C ATOM 33 CG2 ILE A 25 16.069 23.127 14.998 1.00 43.62 C ATOM 34 CD1 ILE A 25 18.367 21.884 12.192 1.00 48.58 C ATOM 35 H ILE A 25 15.119 25.356 13.676 1.00 0.00 H ATOM 36 N GLN A 26 13.389 22.512 13.045 1.00 33.25 N ATOM 37 CA GLN A 26 12.280 21.566 12.867 1.00 31.91 C ATOM 38 C GLN A 26 11.638 21.748 11.490 1.00 35.34 C ATOM 39 O GLN A 26 11.415 20.765 10.787 1.00 35.71 O ATOM 40 CB GLN A 26 11.239 21.717 13.997 1.00 34.57 C ATOM 41 CG GLN A 26 11.675 20.996 15.284 1.00 44.22 C ATOM 42 CD GLN A 26 10.876 21.378 16.506 1.00 57.20 C ATOM 43 OE1 GLN A 26 10.876 22.528 16.945 1.00 55.19 O ATOM 44 NE2 GLN A 26 10.222 20.407 17.123 1.00 45.07 N ATOM 45 HE22 GLN A 26 10.235 19.442 16.734 1.00 0.00 H ATOM 46 HE21 GLN A 26 9.695 20.609 17.996 1.00 0.00 H ATOM 47 H GLN A 26 13.325 23.220 13.804 1.00 0.00 H ATOM 48 N GLN A 27 11.401 23.008 11.079 1.00 33.61 N ATOM 49 CA GLN A 27 10.843 23.295 9.757 1.00 32.87 C ATOM 50 C GLN A 27 11.776 22.794 8.648 1.00 35.34 C ATOM 51 O GLN A 27 11.304 22.199 7.671 1.00 34.59 O ATOM 52 CB GLN A 27 10.556 24.795 9.607 1.00 34.34 C ATOM 53 CG GLN A 27 9.334 25.242 10.405 1.00 46.09 C ATOM 54 CD GLN A 27 8.092 24.441 10.092 1.00 59.68 C ATOM 55 OE1 GLN A 27 7.507 23.800 10.971 1.00 55.67 O ATOM 56 NE2 GLN A 27 7.667 24.451 8.833 1.00 49.60 N ATOM 57 HE22 GLN A 27 8.181 25.001 8.115 1.00 0.00 H ATOM 58 HE21 GLN A 27 6.820 23.909 8.566 1.00 0.00 H ATOM 59 H GLN A 27 11.620 23.799 11.718 1.00 0.00 H ATOM 60 N LEU A 28 13.094 22.993 8.818 1.00 31.95 N ATOM 61 CA LEU A 28 14.077 22.537 7.825 1.00 31.21 C ATOM 62 C LEU A 28 14.104 21.003 7.740 1.00 33.31 C ATOM 63 O LEU A 28 14.012 20.443 6.645 1.00 32.04 O ATOM 64 CB LEU A 28 15.473 23.119 8.110 1.00 32.40 C ATOM 65 CG LEU A 28 15.627 24.638 7.881 1.00 39.97 C ATOM 66 CD1 LEU A 28 16.915 25.154 8.494 1.00 40.96 C ATOM 67 CD2 LEU A 28 15.594 24.997 6.390 1.00 44.90 C ATOM 68 H LEU A 28 13.427 23.482 9.673 1.00 0.00 H ATOM 69 N LEU A 29 14.160 20.327 8.893 1.00 29.06 N ATOM 70 CA LEU A 29 14.173 18.872 8.902 1.00 27.61 C ATOM 71 C LEU A 29 12.863 18.250 8.411 1.00 31.32 C ATOM 72 O LEU A 29 12.916 17.234 7.704 1.00 29.37 O ATOM 73 CB LEU A 29 14.602 18.315 10.264 1.00 27.37 C ATOM 74 CG LEU A 29 15.997 18.764 10.726 1.00 32.16 C ATOM 75 CD1 LEU A 29 16.298 18.241 12.099 1.00 33.63 C ATOM 76 CD2 LEU A 29 17.107 18.356 9.730 1.00 32.58 C ATOM 77 H LEU A 29 14.195 20.847 9.793 1.00 0.00 H ATOM 78 N GLU A 30 11.707 18.871 8.715 1.00 29.94 N ATOM 79 CA GLU A 30 10.425 18.370 8.215 1.00 30.52 C ATOM 80 C GLU A 30 10.399 18.450 6.677 1.00 34.38 C ATOM 81 O GLU A 30 9.895 17.532 6.030 1.00 35.04 O ATOM 82 CB GLU A 30 9.235 19.132 8.842 1.00 33.39 C ATOM 83 CG GLU A 30 8.884 18.585 10.218 1.00 38.65 C ATOM 84 CD GLU A 30 7.657 19.139 10.916 1.00 59.58 C ATOM 85 OE1 GLU A 30 6.982 20.031 10.352 1.00 42.79 O ATOM 86 OE2 GLU A 30 7.367 18.667 12.039 1.00 58.16 O ATOM 87 H GLU A 30 11.725 19.720 9.315 1.00 0.00 H ATOM 88 N HIS A 31 10.973 19.534 6.105 1.00 30.82 N ATOM 89 CA HIS A 31 11.061 19.737 4.654 1.00 31.40 C ATOM 90 C HIS A 31 11.878 18.579 4.056 1.00 33.87 C ATOM 91 O HIS A 31 11.364 17.852 3.195 1.00 34.36 O ATOM 92 CB HIS A 31 11.695 21.112 4.328 1.00 32.84 C ATOM 93 CG HIS A 31 12.198 21.205 2.921 1.00 36.18 C ATOM 94 ND1 HIS A 31 11.326 21.308 1.854 1.00 39.75 N ATOM 95 CD2 HIS A 31 13.465 21.168 2.451 1.00 38.27 C ATOM 96 CE1 HIS A 31 12.084 21.333 0.771 1.00 39.72 C ATOM 97 NE2 HIS A 31 13.379 21.247 1.076 1.00 39.37 N ATOM 98 H HIS A 31 11.374 20.264 6.728 1.00 0.00 H ATOM 99 N PHE A 32 13.102 18.347 4.583 1.00 28.94 N ATOM 100 CA PHE A 32 13.953 17.247 4.105 1.00 27.15 C ATOM 101 C PHE A 32 13.232 15.894 4.218 1.00 31.58 C ATOM 102 O PHE A 32 13.224 15.129 3.266 1.00 32.53 O ATOM 103 CB PHE A 32 15.302 17.189 4.861 1.00 28.09 C ATOM 104 CG PHE A 32 16.261 18.330 4.577 1.00 30.33 C ATOM 105 CD1 PHE A 32 16.395 18.849 3.291 1.00 32.58 C ATOM 106 CD2 PHE A 32 17.109 18.807 5.571 1.00 32.94 C ATOM 107 CE1 PHE A 32 17.302 19.876 3.024 1.00 33.84 C ATOM 108 CE2 PHE A 32 18.022 19.830 5.300 1.00 35.95 C ATOM 109 CZ PHE A 32 18.121 20.347 4.026 1.00 33.43 C ATOM 110 H PHE A 32 13.450 18.962 5.346 1.00 0.00 H ATOM 111 N LEU A 33 12.593 15.629 5.356 1.00 28.62 N ATOM 112 CA LEU A 33 11.894 14.362 5.581 1.00 28.42 C ATOM 113 C LEU A 33 10.736 14.149 4.604 1.00 33.08 C ATOM 114 O LEU A 33 10.609 13.059 4.052 1.00 31.36 O ATOM 115 CB LEU A 33 11.436 14.232 7.038 1.00 28.78 C ATOM 116 CG LEU A 33 10.839 12.871 7.422 1.00 32.62 C ATOM 117 CD1 LEU A 33 11.887 11.764 7.398 1.00 32.02 C ATOM 118 CD2 LEU A 33 10.198 12.934 8.762 1.00 37.10 C ATOM 119 H LEU A 33 12.590 16.346 6.110 1.00 0.00 H ATOM 120 N ARG A 34 9.922 15.199 4.355 1.00 31.92 N ATOM 121 CA ARG A 34 8.803 15.116 3.414 1.00 33.34 C ATOM 122 C ARG A 34 9.285 14.749 2.027 1.00 37.20 C ATOM 123 O ARG A 34 8.673 13.898 1.385 1.00 37.44 O ATOM 124 CB ARG A 34 8.037 16.447 3.350 1.00 35.17 C ATOM 125 CG ARG A 34 6.952 16.581 4.398 1.00 40.21 C ATOM 126 CD ARG A 34 5.978 17.712 4.052 1.00 43.85 C ATOM 127 NE ARG A 34 6.665 18.974 3.764 1.00 45.03 N ATOM 128 CZ ARG A 34 7.043 19.853 4.685 1.00 58.86 C ATOM 129 NH1 ARG A 34 6.778 19.637 5.969 1.00 50.94 N ATOM 130 NH2 ARG A 34 7.675 20.963 4.330 1.00 45.28 N ATOM 131 HE ARG A 34 6.871 19.197 2.769 1.00 0.00 H ATOM 132 HH12 ARG A 34 7.077 20.329 6.685 1.00 0.00 H ATOM 133 HH11 ARG A 34 6.272 18.776 6.258 1.00 0.00 H ATOM 134 HH22 ARG A 34 7.969 21.648 5.055 1.00 0.00 H ATOM 135 HH21 ARG A 34 7.877 21.148 3.327 1.00 0.00 H ATOM 136 H ARG A 34 10.097 16.097 4.849 1.00 0.00 H ATOM 137 N GLN A 35 10.407 15.354 1.577 1.00 34.43 N ATOM 138 CA GLN A 35 10.947 15.089 0.246 1.00 35.30 C ATOM 139 C GLN A 35 11.421 13.657 0.139 1.00 38.12 C ATOM 140 O GLN A 35 11.123 12.997 -0.854 1.00 39.77 O ATOM 141 CB GLN A 35 12.056 16.084 -0.148 1.00 36.80 C ATOM 142 CG GLN A 35 11.646 17.559 -0.189 1.00 42.63 C ATOM 143 CD GLN A 35 10.534 17.859 -1.171 1.00 64.86 C ATOM 144 OE1 GLN A 35 10.669 17.679 -2.386 1.00 61.60 O ATOM 145 NE2 GLN A 35 9.412 18.345 -0.660 1.00 58.28 N ATOM 146 HE22 GLN A 35 9.327 18.486 0.367 1.00 0.00 H ATOM 147 HE21 GLN A 35 8.617 18.585 -1.286 1.00 0.00 H ATOM 148 H GLN A 35 10.900 16.028 2.197 1.00 0.00 H ATOM 149 N LEU A 36 12.060 13.146 1.200 1.00 32.46 N ATOM 150 CA LEU A 36 12.532 11.757 1.234 1.00 31.08 C ATOM 151 C LEU A 36 11.374 10.765 1.256 1.00 33.97 C ATOM 152 O LEU A 36 11.425 9.763 0.552 1.00 33.81 O ATOM 153 CB LEU A 36 13.447 11.515 2.449 1.00 30.48 C ATOM 154 CG LEU A 36 14.755 12.304 2.449 1.00 36.36 C ATOM 155 CD1 LEU A 36 15.467 12.187 3.789 1.00 36.36 C ATOM 156 CD2 LEU A 36 15.646 11.889 1.297 1.00 38.39 C ATOM 157 H LEU A 36 12.227 13.754 2.027 1.00 0.00 H ATOM 158 N GLN A 37 10.331 11.035 2.062 1.00 31.62 N ATOM 159 CA GLN A 37 9.174 10.142 2.170 1.00 32.60 C ATOM 160 C GLN A 37 8.386 10.012 0.865 1.00 38.62 C ATOM 161 O GLN A 37 7.746 8.977 0.640 1.00 38.84 O ATOM 162 CB GLN A 37 8.264 10.530 3.337 1.00 34.79 C ATOM 163 CG GLN A 37 8.871 10.217 4.697 1.00 39.79 C ATOM 164 CD GLN A 37 7.840 9.912 5.756 1.00 52.60 C ATOM 165 OE1 GLN A 37 7.582 10.729 6.636 1.00 46.09 O ATOM 166 NE2 GLN A 37 7.276 8.703 5.739 1.00 40.23 N ATOM 167 HE22 GLN A 37 7.512 8.030 4.982 1.00 0.00 H ATOM 168 HE21 GLN A 37 6.600 8.434 6.483 1.00 0.00 H ATOM 169 H GLN A 37 10.346 11.907 2.628 1.00 0.00 H ATOM 170 N ARG A 38 8.473 11.037 -0.017 1.00 35.41 N ATOM 171 CA ARG A 38 7.806 11.007 -1.325 1.00 37.00 C ATOM 172 C ARG A 38 8.401 9.883 -2.182 1.00 40.08 C ATOM 173 O ARG A 38 7.699 9.305 -3.015 1.00 41.93 O ATOM 174 CB ARG A 38 7.959 12.349 -2.061 1.00 39.75 C ATOM 175 CG ARG A 38 7.059 13.464 -1.536 1.00 54.73 C ATOM 176 CD ARG A 38 6.669 14.464 -2.618 1.00 72.46 C ATOM 177 NE ARG A 38 7.821 15.157 -3.201 1.00 85.69 N ATOM 178 CZ ARG A 38 7.745 16.275 -3.917 1.00107.23 C ATOM 179 NH1 ARG A 38 8.844 16.829 -4.412 1.00 97.12 N ATOM 180 NH2 ARG A 38 6.570 16.855 -4.134 1.00 98.29 N ATOM 181 HE ARG A 38 8.763 14.746 -3.044 1.00 0.00 H ATOM 182 HH12 ARG A 38 8.779 17.703 -4.971 1.00 0.00 H ATOM 183 HH11 ARG A 38 9.771 16.389 -4.241 1.00 0.00 H ATOM 184 HH22 ARG A 38 6.517 17.729 -4.695 1.00 0.00 H ATOM 185 HH21 ARG A 38 5.703 16.435 -3.743 1.00 0.00 H ATOM 186 H ARG A 38 9.032 11.875 0.242 1.00 0.00 H ATOM 187 N LYS A 39 9.684 9.558 -1.948 1.00 35.67 N ATOM 188 CA LYS A 39 10.402 8.498 -2.652 1.00 35.26 C ATOM 189 C LYS A 39 9.968 7.089 -2.201 1.00 36.94 C ATOM 190 O LYS A 39 10.388 6.107 -2.806 1.00 35.42 O ATOM 191 CB LYS A 39 11.930 8.668 -2.483 1.00 37.53 C ATOM 192 CG LYS A 39 12.521 9.864 -3.233 1.00 54.71 C ATOM 193 CD LYS A 39 12.609 9.607 -4.743 1.00 66.03 C ATOM 194 CE LYS A 39 12.739 10.878 -5.536 1.00 78.18 C ATOM 195 NZ LYS A 39 12.470 10.636 -6.976 1.00 89.14 N ATOM 196 HZ1 LYS A 39 13.152 9.942 -7.343 1.00 0.00 H ATOM 197 HZ2 LYS A 39 11.504 10.268 -7.090 1.00 0.00 H ATOM 198 HZ3 LYS A 39 12.566 11.529 -7.500 1.00 0.00 H ATOM 199 H LYS A 39 10.198 10.095 -1.220 1.00 0.00 H ATOM 200 N ASP A 40 9.128 6.993 -1.150 1.00 33.46 N ATOM 201 CA ASP A 40 8.636 5.719 -0.614 1.00 32.46 C ATOM 202 C ASP A 40 7.089 5.695 -0.603 1.00 38.12 C ATOM 203 O ASP A 40 6.487 5.686 0.472 1.00 36.52 O ATOM 204 CB ASP A 40 9.244 5.472 0.785 1.00 30.90 C ATOM 205 CG ASP A 40 8.725 4.267 1.553 1.00 33.08 C ATOM 206 OD1 ASP A 40 8.502 3.198 0.921 1.00 32.78 O ATOM 207 OD2 ASP A 40 8.601 4.367 2.795 1.00 33.24 O ATOM 208 H ASP A 40 8.811 7.872 -0.694 1.00 0.00 H ATOM 209 N PRO A 41 6.415 5.670 -1.786 1.00 39.79 N ATOM 210 CA PRO A 41 4.938 5.695 -1.788 1.00 42.78 C ATOM 211 C PRO A 41 4.240 4.519 -1.101 1.00 47.48 C ATOM 212 O PRO A 41 3.127 4.696 -0.607 1.00 48.94 O ATOM 213 CB PRO A 41 4.579 5.765 -3.279 1.00 46.34 C ATOM 214 CG PRO A 41 5.772 5.222 -3.989 1.00 49.20 C ATOM 215 CD PRO A 41 6.947 5.671 -3.165 1.00 42.05 C ATOM 216 N HIS A 42 4.885 3.336 -1.056 1.00 41.93 N ATOM 217 CA HIS A 42 4.296 2.145 -0.438 1.00 42.43 C ATOM 218 C HIS A 42 4.493 2.084 1.087 1.00 42.04 C ATOM 219 O HIS A 42 3.990 1.166 1.733 1.00 42.87 O ATOM 220 CB HIS A 42 4.811 0.862 -1.113 1.00 44.05 C ATOM 221 CG HIS A 42 4.565 0.804 -2.591 1.00 49.69 C ATOM 222 ND1 HIS A 42 3.291 0.617 -3.107 1.00 54.95 N ATOM 223 CD2 HIS A 42 5.441 0.905 -3.617 1.00 51.38 C ATOM 224 CE1 HIS A 42 3.430 0.628 -4.424 1.00 55.66 C ATOM 225 NE2 HIS A 42 4.708 0.786 -4.779 1.00 54.15 N ATOM 226 H HIS A 42 5.834 3.266 -1.475 1.00 0.00 H ATOM 227 N GLY A 43 5.223 3.050 1.638 1.00 35.88 N ATOM 228 CA GLY A 43 5.485 3.142 3.069 1.00 34.07 C ATOM 229 C GLY A 43 6.344 2.029 3.643 1.00 35.85 C ATOM 230 O GLY A 43 6.189 1.674 4.816 1.00 35.90 O ATOM 231 H GLY A 43 5.628 3.778 1.015 1.00 0.00 H ATOM 232 N PHE A 44 7.276 1.475 2.841 1.00 30.78 N ATOM 233 CA PHE A 44 8.156 0.401 3.329 1.00 29.65 C ATOM 234 C PHE A 44 9.100 0.892 4.420 1.00 31.22 C ATOM 235 O PHE A 44 9.559 0.097 5.235 1.00 31.07 O ATOM 236 CB PHE A 44 8.974 -0.213 2.193 1.00 30.51 C ATOM 237 CG PHE A 44 8.157 -0.887 1.114 1.00 33.03 C ATOM 238 CD1 PHE A 44 7.142 -1.782 1.442 1.00 37.12 C ATOM 239 CD2 PHE A 44 8.435 -0.666 -0.226 1.00 34.80 C ATOM 240 CE1 PHE A 44 6.401 -2.418 0.441 1.00 39.43 C ATOM 241 CE2 PHE A 44 7.696 -1.314 -1.228 1.00 39.22 C ATOM 242 CZ PHE A 44 6.688 -2.183 -0.885 1.00 38.51 C ATOM 243 H PHE A 44 7.374 1.812 1.862 1.00 0.00 H ATOM 244 N PHE A 45 9.386 2.206 4.435 1.00 28.26 N ATOM 245 CA PHE A 45 10.284 2.815 5.415 1.00 25.92 C ATOM 246 C PHE A 45 9.511 3.728 6.377 1.00 30.43 C ATOM 247 O PHE A 45 10.127 4.446 7.167 1.00 26.91 O ATOM 248 CB PHE A 45 11.367 3.618 4.674 1.00 25.88 C ATOM 249 CG PHE A 45 12.326 2.728 3.928 1.00 25.59 C ATOM 250 CD1 PHE A 45 13.403 2.144 4.581 1.00 25.72 C ATOM 251 CD2 PHE A 45 12.106 2.408 2.589 1.00 29.17 C ATOM 252 CE1 PHE A 45 14.274 1.300 3.897 1.00 26.75 C ATOM 253 CE2 PHE A 45 12.971 1.547 1.913 1.00 30.36 C ATOM 254 CZ PHE A 45 14.040 0.993 2.574 1.00 26.17 C ATOM 255 H PHE A 45 8.948 2.817 3.716 1.00 0.00 H ATOM 256 N ALA A 46 8.165 3.706 6.307 1.00 31.48 N ATOM 257 CA ALA A 46 7.316 4.581 7.125 1.00 32.19 C ATOM 258 C ALA A 46 7.347 4.286 8.626 1.00 36.27 C ATOM 259 O ALA A 46 7.262 5.226 9.424 1.00 35.10 O ATOM 260 CB ALA A 46 5.885 4.558 6.609 1.00 35.15 C ATOM 261 H ALA A 46 7.710 3.043 5.647 1.00 0.00 H ATOM 262 N PHE A 47 7.439 2.990 9.011 1.00 33.74 N ATOM 263 CA PHE A 47 7.432 2.544 10.403 1.00 33.95 C ATOM 264 C PHE A 47 8.457 1.413 10.620 1.00 34.60 C ATOM 265 O PHE A 47 8.978 0.908 9.621 1.00 31.38 O ATOM 266 CB PHE A 47 6.016 2.085 10.803 1.00 38.24 C ATOM 267 CG PHE A 47 4.981 3.178 10.701 1.00 42.11 C ATOM 268 CD1 PHE A 47 4.933 4.204 11.640 1.00 45.99 C ATOM 269 CD2 PHE A 47 4.066 3.195 9.654 1.00 46.45 C ATOM 270 CE1 PHE A 47 3.994 5.237 11.524 1.00 48.54 C ATOM 271 CE2 PHE A 47 3.117 4.221 9.548 1.00 50.90 C ATOM 272 CZ PHE A 47 3.093 5.236 10.480 1.00 49.24 C ATOM 273 H PHE A 47 7.520 2.266 8.268 1.00 0.00 H ATOM 274 N PRO A 48 8.799 1.025 11.883 1.00 31.30 N ATOM 275 CA PRO A 48 9.819 -0.021 12.075 1.00 30.60 C ATOM 276 C PRO A 48 9.511 -1.358 11.413 1.00 35.06 C ATOM 277 O PRO A 48 8.342 -1.759 11.327 1.00 35.11 O ATOM 278 CB PRO A 48 9.853 -0.206 13.599 1.00 33.61 C ATOM 279 CG PRO A 48 9.358 1.072 14.152 1.00 37.80 C ATOM 280 CD PRO A 48 8.315 1.534 13.190 1.00 34.18 C ATOM 281 N VAL A 49 10.576 -2.073 11.002 1.00 30.17 N ATOM 282 CA VAL A 49 10.433 -3.423 10.441 1.00 30.38 C ATOM 283 C VAL A 49 10.257 -4.393 11.633 1.00 35.48 C ATOM 284 O VAL A 49 11.147 -4.495 12.481 1.00 34.33 O ATOM 285 CB VAL A 49 11.627 -3.846 9.535 1.00 33.29 C ATOM 286 CG1 VAL A 49 11.380 -5.211 8.921 1.00 33.64 C ATOM 287 CG2 VAL A 49 11.905 -2.819 8.446 1.00 31.68 C ATOM 288 H VAL A 49 11.526 -1.658 11.084 1.00 0.00 H ATOM 289 N THR A 50 9.128 -5.106 11.685 1.00 34.41 N ATOM 290 CA THR A 50 8.887 -6.092 12.746 1.00 35.68 C ATOM 291 C THR A 50 9.395 -7.457 12.294 1.00 38.62 C ATOM 292 O THR A 50 9.491 -7.711 11.092 1.00 36.75 O ATOM 293 CB THR A 50 7.381 -6.206 13.067 1.00 44.00 C ATOM 294 OG1 THR A 50 6.702 -6.623 11.883 1.00 44.48 O ATOM 295 CG2 THR A 50 6.785 -4.916 13.597 1.00 41.70 C ATOM 296 HG1 THR A 50 5.733 -6.702 12.070 1.00 0.00 H ATOM 297 H THR A 50 8.402 -4.959 10.955 1.00 0.00 H ATOM 298 N ASP A 51 9.661 -8.360 13.251 1.00 36.84 N ATOM 299 CA ASP A 51 10.089 -9.722 12.941 1.00 37.68 C ATOM 300 C ASP A 51 8.979 -10.536 12.235 1.00 44.43 C ATOM 301 O ASP A 51 9.301 -11.452 11.479 1.00 43.91 O ATOM 302 CB ASP A 51 10.619 -10.436 14.195 1.00 40.31 C ATOM 303 CG ASP A 51 12.065 -10.105 14.551 1.00 42.34 C ATOM 304 OD1 ASP A 51 12.638 -9.172 13.932 1.00 38.87 O ATOM 305 OD2 ASP A 51 12.630 -10.791 15.434 1.00 44.50 O ATOM 306 H ASP A 51 9.559 -8.080 14.247 1.00 0.00 H ATOM 307 N ALA A 52 7.696 -10.153 12.428 1.00 44.15 N ATOM 308 CA ALA A 52 6.530 -10.777 11.773 1.00 46.04 C ATOM 309 C ALA A 52 6.552 -10.450 10.270 1.00 49.36 C ATOM 310 O ALA A 52 6.366 -11.345 9.450 1.00 49.82 O ATOM 311 CB ALA A 52 5.232 -10.278 12.407 1.00 48.90 C ATOM 312 H ALA A 52 7.519 -9.365 13.083 1.00 0.00 H ATOM 313 N ILE A 53 6.864 -9.183 9.922 1.00 45.06 N ATOM 314 CA ILE A 53 6.977 -8.701 8.544 1.00 43.89 C ATOM 315 C ILE A 53 8.272 -9.233 7.887 1.00 45.42 C ATOM 316 O ILE A 53 8.265 -9.570 6.698 1.00 44.71 O ATOM 317 CB ILE A 53 6.831 -7.138 8.532 1.00 46.85 C ATOM 318 CG1 ILE A 53 5.345 -6.687 8.750 1.00 49.94 C ATOM 319 CG2 ILE A 53 7.452 -6.450 7.315 1.00 45.42 C ATOM 320 CD1 ILE A 53 4.288 -7.090 7.638 1.00 61.52 C ATOM 321 H ILE A 53 7.036 -8.501 10.688 1.00 0.00 H ATOM 322 N ALA A 54 9.368 -9.344 8.665 1.00 40.41 N ATOM 323 CA ALA A 54 10.660 -9.805 8.139 1.00 38.98 C ATOM 324 C ALA A 54 11.362 -10.798 9.072 1.00 43.31 C ATOM 325 O ALA A 54 12.090 -10.398 9.986 1.00 39.99 O ATOM 326 CB ALA A 54 11.559 -8.614 7.833 1.00 37.71 C ATOM 327 H ALA A 54 9.296 -9.095 9.672 1.00 0.00 H ATOM 328 N PRO A 55 11.139 -12.113 8.855 1.00 43.00 N ATOM 329 CA PRO A 55 11.746 -13.126 9.738 1.00 43.46 C ATOM 330 C PRO A 55 13.221 -12.927 10.064 1.00 43.68 C ATOM 331 O PRO A 55 14.038 -12.664 9.173 1.00 42.21 O ATOM 332 CB PRO A 55 11.493 -14.433 8.987 1.00 46.28 C ATOM 333 CG PRO A 55 10.206 -14.187 8.275 1.00 51.85 C ATOM 334 CD PRO A 55 10.271 -12.747 7.836 1.00 46.49 C ATOM 335 N GLY A 56 13.515 -12.978 11.360 1.00 39.98 N ATOM 336 CA GLY A 56 14.861 -12.838 11.912 1.00 38.68 C ATOM 337 C GLY A 56 15.511 -11.482 11.744 1.00 39.19 C ATOM 338 O GLY A 56 16.743 -11.392 11.789 1.00 39.42 O ATOM 339 H GLY A 56 12.732 -13.128 12.028 1.00 0.00 H ATOM 340 N TYR A 57 14.708 -10.415 11.529 1.00 31.69 N ATOM 341 CA TYR A 57 15.246 -9.063 11.311 1.00 27.83 C ATOM 342 C TYR A 57 16.082 -8.586 12.504 1.00 30.02 C ATOM 343 O TYR A 57 17.226 -8.162 12.312 1.00 28.47 O ATOM 344 CB TYR A 57 14.117 -8.061 11.006 1.00 27.78 C ATOM 345 CG TYR A 57 14.620 -6.716 10.524 1.00 26.23 C ATOM 346 CD1 TYR A 57 14.943 -6.512 9.186 1.00 26.04 C ATOM 347 CD2 TYR A 57 14.717 -5.634 11.392 1.00 26.51 C ATOM 348 CE1 TYR A 57 15.388 -5.274 8.732 1.00 25.10 C ATOM 349 CE2 TYR A 57 15.183 -4.396 10.955 1.00 25.49 C ATOM 350 CZ TYR A 57 15.501 -4.217 9.619 1.00 28.34 C ATOM 351 OH TYR A 57 15.979 -3.011 9.175 1.00 27.23 O ATOM 352 HH TYR A 57 16.151 -3.064 8.202 1.00 0.00 H ATOM 353 H TYR A 57 13.677 -10.555 11.517 1.00 0.00 H ATOM 354 N SER A 58 15.524 -8.690 13.723 1.00 28.86 N ATOM 355 CA SER A 58 16.173 -8.243 14.957 1.00 29.42 C ATOM 356 C SER A 58 17.469 -9.003 15.277 1.00 32.86 C ATOM 357 O SER A 58 18.328 -8.475 15.986 1.00 31.81 O ATOM 358 CB SER A 58 15.204 -8.306 16.134 1.00 33.96 C ATOM 359 OG SER A 58 14.873 -9.650 16.432 1.00 38.66 O ATOM 360 HG SER A 58 15.696 -10.147 16.666 1.00 0.00 H ATOM 361 H SER A 58 14.576 -9.113 13.793 1.00 0.00 H ATOM 362 N MET A 59 17.609 -10.222 14.750 1.00 33.03 N ATOM 363 CA MET A 59 18.801 -11.052 14.935 1.00 34.30 C ATOM 364 C MET A 59 19.982 -10.415 14.193 1.00 34.03 C ATOM 365 O MET A 59 21.128 -10.577 14.622 1.00 33.06 O ATOM 366 CB MET A 59 18.528 -12.467 14.378 1.00 38.44 C ATOM 367 CG MET A 59 19.751 -13.373 14.283 1.00 44.79 C ATOM 368 SD MET A 59 19.518 -14.880 15.249 1.00 53.58 S ATOM 369 CE MET A 59 20.748 -15.943 14.502 1.00 50.32 C ATOM 370 H MET A 59 16.829 -10.603 14.177 1.00 0.00 H ATOM 371 N ILE A 60 19.691 -9.739 13.070 1.00 28.71 N ATOM 372 CA ILE A 60 20.696 -9.144 12.183 1.00 27.80 C ATOM 373 C ILE A 60 20.862 -7.648 12.399 1.00 29.05 C ATOM 374 O ILE A 60 22.000 -7.160 12.421 1.00 28.93 O ATOM 375 CB ILE A 60 20.349 -9.487 10.703 1.00 30.88 C ATOM 376 CG1 ILE A 60 20.484 -11.017 10.456 1.00 33.54 C ATOM 377 CG2 ILE A 60 21.194 -8.681 9.699 1.00 31.11 C ATOM 378 CD1 ILE A 60 19.326 -11.632 9.824 1.00 48.33 C ATOM 379 H ILE A 60 18.689 -9.630 12.813 1.00 0.00 H ATOM 380 N ILE A 61 19.743 -6.908 12.473 1.00 24.66 N ATOM 381 CA ILE A 61 19.771 -5.445 12.590 1.00 22.98 C ATOM 382 C ILE A 61 19.623 -5.021 14.030 1.00 29.08 C ATOM 383 O ILE A 61 18.542 -5.172 14.618 1.00 28.55 O ATOM 384 CB ILE A 61 18.707 -4.817 11.666 1.00 24.72 C ATOM 385 CG1 ILE A 61 18.948 -5.232 10.177 1.00 23.73 C ATOM 386 CG2 ILE A 61 18.607 -3.291 11.863 1.00 25.20 C ATOM 387 CD1 ILE A 61 20.371 -4.841 9.549 1.00 26.54 C ATOM 388 H ILE A 61 18.822 -7.390 12.446 1.00 0.00 H ATOM 389 N LYS A 62 20.713 -4.466 14.590 1.00 26.15 N ATOM 390 CA LYS A 62 20.757 -4.112 16.011 1.00 27.62 C ATOM 391 C LYS A 62 20.391 -2.676 16.301 1.00 32.38 C ATOM 392 O LYS A 62 20.051 -2.355 17.445 1.00 33.69 O ATOM 393 CB LYS A 62 22.127 -4.466 16.621 1.00 29.63 C ATOM 394 CG LYS A 62 22.490 -5.937 16.466 1.00 29.34 C ATOM 395 CD LYS A 62 21.478 -6.806 17.213 1.00 35.68 C ATOM 396 CE LYS A 62 21.664 -8.279 17.026 1.00 38.37 C ATOM 397 NZ LYS A 62 20.562 -9.004 17.717 1.00 36.63 N ATOM 398 HZ1 LYS A 62 20.581 -8.775 18.731 1.00 0.00 H ATOM 399 HZ2 LYS A 62 19.650 -8.713 17.312 1.00 0.00 H ATOM 400 HZ3 LYS A 62 20.689 -10.028 17.589 1.00 0.00 H ATOM 401 H LYS A 62 21.548 -4.283 13.998 1.00 0.00 H ATOM 402 N HIS A 63 20.481 -1.808 15.287 1.00 27.07 N ATOM 403 CA HIS A 63 20.149 -0.399 15.430 1.00 27.85 C ATOM 404 C HIS A 63 19.099 -0.009 14.383 1.00 29.21 C ATOM 405 O HIS A 63 19.435 0.621 13.372 1.00 26.35 O ATOM 406 CB HIS A 63 21.429 0.460 15.375 1.00 29.46 C ATOM 407 CG HIS A 63 22.501 -0.019 16.314 1.00 34.68 C ATOM 408 ND1 HIS A 63 22.404 0.175 17.686 1.00 38.88 N ATOM 409 CD2 HIS A 63 23.641 -0.698 16.050 1.00 36.85 C ATOM 410 CE1 HIS A 63 23.497 -0.367 18.205 1.00 39.56 C ATOM 411 NE2 HIS A 63 24.271 -0.909 17.261 1.00 38.89 N ATOM 412 H HIS A 63 20.801 -2.154 14.360 1.00 0.00 H ATOM 413 N PRO A 64 17.821 -0.415 14.584 1.00 27.52 N ATOM 414 CA PRO A 64 16.790 -0.091 13.584 1.00 27.23 C ATOM 415 C PRO A 64 16.496 1.402 13.451 1.00 29.44 C ATOM 416 O PRO A 64 16.694 2.187 14.383 1.00 28.62 O ATOM 417 CB PRO A 64 15.548 -0.835 14.077 1.00 30.27 C ATOM 418 CG PRO A 64 15.788 -1.102 15.519 1.00 36.96 C ATOM 419 CD PRO A 64 17.262 -1.192 15.717 1.00 32.20 C ATOM 420 N MET A 65 16.000 1.783 12.281 1.00 26.00 N ATOM 421 CA MET A 65 15.610 3.165 12.003 1.00 24.00 C ATOM 422 C MET A 65 14.561 3.148 10.912 1.00 28.02 C ATOM 423 O MET A 65 14.555 2.234 10.079 1.00 27.19 O ATOM 424 CB MET A 65 16.830 4.030 11.599 1.00 24.77 C ATOM 425 CG MET A 65 16.562 5.549 11.556 1.00 25.51 C ATOM 426 SD MET A 65 15.652 6.245 12.977 1.00 28.94 S ATOM 427 CE MET A 65 16.812 5.942 14.283 1.00 27.68 C ATOM 428 H MET A 65 15.884 1.071 11.532 1.00 0.00 H ATOM 429 N ASP A 66 13.657 4.149 10.945 1.00 25.82 N ATOM 430 CA ASP A 66 12.579 4.322 9.975 1.00 24.83 C ATOM 431 C ASP A 66 12.146 5.784 9.977 1.00 28.72 C ATOM 432 O ASP A 66 12.496 6.523 10.896 1.00 28.65 O ATOM 433 CB ASP A 66 11.389 3.420 10.322 1.00 26.98 C ATOM 434 CG ASP A 66 10.767 3.795 11.638 1.00 33.85 C ATOM 435 OD1 ASP A 66 11.350 3.455 12.677 1.00 33.42 O ATOM 436 OD2 ASP A 66 9.761 4.537 11.626 1.00 35.71 O ATOM 437 H ASP A 66 13.733 4.845 11.714 1.00 0.00 H ATOM 438 N PHE A 67 11.410 6.198 8.944 1.00 26.57 N ATOM 439 CA PHE A 67 10.958 7.594 8.806 1.00 26.12 C ATOM 440 C PHE A 67 10.060 8.061 9.956 1.00 31.64 C ATOM 441 O PHE A 67 10.141 9.227 10.358 1.00 31.11 O ATOM 442 CB PHE A 67 10.239 7.786 7.469 1.00 28.16 C ATOM 443 CG PHE A 67 11.077 7.798 6.211 1.00 27.65 C ATOM 444 CD1 PHE A 67 12.234 8.566 6.131 1.00 30.11 C ATOM 445 CD2 PHE A 67 10.639 7.150 5.063 1.00 29.59 C ATOM 446 CE1 PHE A 67 12.962 8.646 4.938 1.00 29.88 C ATOM 447 CE2 PHE A 67 11.364 7.236 3.871 1.00 31.07 C ATOM 448 CZ PHE A 67 12.519 7.982 3.816 1.00 28.90 C ATOM 449 H PHE A 67 11.146 5.511 8.210 1.00 0.00 H ATOM 450 N GLY A 68 9.216 7.168 10.474 1.00 29.13 N ATOM 451 CA GLY A 68 8.321 7.483 11.587 1.00 30.52 C ATOM 452 C GLY A 68 9.093 7.847 12.836 1.00 34.41 C ATOM 453 O GLY A 68 8.772 8.839 13.500 1.00 34.88 O ATOM 454 H GLY A 68 9.193 6.210 10.071 1.00 0.00 H ATOM 455 N THR A 69 10.163 7.073 13.134 1.00 30.88 N ATOM 456 CA THR A 69 11.040 7.347 14.285 1.00 30.11 C ATOM 457 C THR A 69 11.724 8.702 14.080 1.00 32.39 C ATOM 458 O THR A 69 11.819 9.490 15.019 1.00 33.06 O ATOM 459 CB THR A 69 12.013 6.174 14.479 1.00 35.06 C ATOM 460 OG1 THR A 69 11.235 5.016 14.752 1.00 33.90 O ATOM 461 CG2 THR A 69 13.001 6.386 15.623 1.00 32.96 C ATOM 462 HG1 THR A 69 10.628 4.841 13.990 1.00 0.00 H ATOM 463 H THR A 69 10.373 6.255 12.528 1.00 0.00 H ATOM 464 N MET A 70 12.172 8.986 12.843 1.00 26.73 N ATOM 465 CA MET A 70 12.805 10.270 12.559 1.00 25.60 C ATOM 466 C MET A 70 11.790 11.419 12.733 1.00 31.24 C ATOM 467 O MET A 70 12.110 12.415 13.373 1.00 32.02 O ATOM 468 CB MET A 70 13.407 10.276 11.151 1.00 25.95 C ATOM 469 CG MET A 70 14.593 9.307 11.019 1.00 27.58 C ATOM 470 SD MET A 70 15.105 9.042 9.298 1.00 30.00 S ATOM 471 CE MET A 70 15.800 10.652 8.894 1.00 29.17 C ATOM 472 H MET A 70 12.066 8.284 12.083 1.00 0.00 H ATOM 473 N LYS A 71 10.556 11.253 12.212 1.00 28.16 N ATOM 474 CA LYS A 71 9.485 12.253 12.348 1.00 29.11 C ATOM 475 C LYS A 71 9.236 12.555 13.836 1.00 33.68 C ATOM 476 O LYS A 71 9.173 13.724 14.224 1.00 33.95 O ATOM 477 CB LYS A 71 8.189 11.756 11.655 1.00 32.81 C ATOM 478 CG LYS A 71 6.942 12.617 11.879 1.00 37.19 C ATOM 479 CD LYS A 71 6.981 13.975 11.209 1.00 47.69 C ATOM 480 CE LYS A 71 5.732 14.753 11.565 1.00 55.77 C ATOM 481 NZ LYS A 71 5.814 16.163 11.121 1.00 64.64 N ATOM 482 HZ1 LYS A 71 6.626 16.623 11.579 1.00 0.00 H ATOM 483 HZ2 LYS A 71 5.934 16.194 10.088 1.00 0.00 H ATOM 484 HZ3 LYS A 71 4.939 16.660 11.384 1.00 0.00 H ATOM 485 H LYS A 71 10.352 10.377 11.690 1.00 0.00 H ATOM 486 N ASP A 72 9.161 11.501 14.668 1.00 31.80 N ATOM 487 CA ASP A 72 8.962 11.647 16.110 1.00 33.66 C ATOM 488 C ASP A 72 10.119 12.405 16.752 1.00 37.36 C ATOM 489 O ASP A 72 9.889 13.198 17.661 1.00 38.08 O ATOM 490 CB ASP A 72 8.764 10.286 16.790 1.00 36.26 C ATOM 491 CG ASP A 72 7.489 9.542 16.425 1.00 46.09 C ATOM 492 OD1 ASP A 72 6.592 10.158 15.812 1.00 47.74 O ATOM 493 OD2 ASP A 72 7.408 8.331 16.716 1.00 50.40 O ATOM 494 H ASP A 72 9.248 10.544 14.270 1.00 0.00 H ATOM 495 N LYS A 73 11.358 12.164 16.275 1.00 32.26 N ATOM 496 CA LYS A 73 12.549 12.863 16.775 1.00 31.84 C ATOM 497 C LYS A 73 12.510 14.339 16.411 1.00 36.24 C ATOM 498 O LYS A 73 12.875 15.166 17.241 1.00 37.60 O ATOM 499 CB LYS A 73 13.842 12.209 16.274 1.00 32.29 C ATOM 500 CG LYS A 73 14.172 10.913 17.015 1.00 36.64 C ATOM 501 CD LYS A 73 15.499 10.285 16.579 1.00 40.93 C ATOM 502 CE LYS A 73 16.734 11.096 16.928 1.00 34.45 C ATOM 503 NZ LYS A 73 17.967 10.273 16.776 1.00 43.22 N ATOM 504 HZ1 LYS A 73 17.914 9.451 17.411 1.00 0.00 H ATOM 505 HZ2 LYS A 73 18.046 9.947 15.791 1.00 0.00 H ATOM 506 HZ3 LYS A 73 18.798 10.848 17.020 1.00 0.00 H ATOM 507 H LYS A 73 11.474 11.455 15.523 1.00 0.00 H ATOM 508 N ILE A 74 12.032 14.683 15.195 1.00 31.33 N ATOM 509 CA ILE A 74 11.900 16.095 14.807 1.00 30.91 C ATOM 510 C ILE A 74 10.864 16.775 15.718 1.00 36.94 C ATOM 511 O ILE A 74 11.148 17.843 16.276 1.00 37.73 O ATOM 512 CB ILE A 74 11.513 16.294 13.309 1.00 32.74 C ATOM 513 CG1 ILE A 74 12.582 15.743 12.338 1.00 30.74 C ATOM 514 CG2 ILE A 74 11.211 17.793 13.028 1.00 33.60 C ATOM 515 CD1 ILE A 74 12.046 15.561 10.880 1.00 36.86 C ATOM 516 H ILE A 74 11.754 13.939 14.524 1.00 0.00 H ATOM 517 N VAL A 75 9.667 16.153 15.863 1.00 34.56 N ATOM 518 CA VAL A 75 8.557 16.672 16.686 1.00 36.25 C ATOM 519 C VAL A 75 9.023 16.904 18.133 1.00 42.47 C ATOM 520 O VAL A 75 8.694 17.934 18.732 1.00 43.12 O ATOM 521 CB VAL A 75 7.293 15.761 16.599 1.00 41.73 C ATOM 522 CG1 VAL A 75 6.219 16.159 17.623 1.00 44.34 C ATOM 523 CG2 VAL A 75 6.707 15.762 15.187 1.00 41.25 C ATOM 524 H VAL A 75 9.522 15.253 15.362 1.00 0.00 H ATOM 525 N ALA A 76 9.813 15.964 18.678 1.00 39.21 N ATOM 526 CA ALA A 76 10.331 16.056 20.048 1.00 41.52 C ATOM 527 C ALA A 76 11.557 16.975 20.183 1.00 46.18 C ATOM 528 O ALA A 76 12.034 17.175 21.298 1.00 48.07 O ATOM 529 CB ALA A 76 10.645 14.662 20.584 1.00 42.29 C ATOM 530 H ALA A 76 10.069 15.135 18.104 1.00 0.00 H ATOM 531 N ASN A 77 12.052 17.551 19.057 1.00 41.56 N ATOM 532 CA ASN A 77 13.224 18.444 18.995 1.00 41.41 C ATOM 533 C ASN A 77 14.510 17.713 19.451 1.00 46.56 C ATOM 534 O ASN A 77 15.346 18.273 20.172 1.00 46.90 O ATOM 535 CB ASN A 77 12.969 19.777 19.765 1.00 44.12 C ATOM 536 CG ASN A 77 13.854 20.932 19.357 1.00 63.83 C ATOM 537 OD1 ASN A 77 14.214 21.104 18.187 1.00 58.07 O ATOM 538 ND2 ASN A 77 14.195 21.777 20.318 1.00 58.73 N ATOM 539 HD22 ASN A 77 13.879 21.609 21.294 1.00 0.00 H ATOM 540 HD21 ASN A 77 14.779 22.609 20.096 1.00 0.00 H ATOM 541 H ASN A 77 11.563 17.345 18.163 1.00 0.00 H ATOM 542 N GLU A 78 14.653 16.448 19.000 1.00 42.22 N ATOM 543 CA GLU A 78 15.770 15.548 19.306 1.00 42.01 C ATOM 544 C GLU A 78 16.973 15.698 18.380 1.00 43.53 C ATOM 545 O GLU A 78 18.007 15.073 18.627 1.00 43.06 O ATOM 546 CB GLU A 78 15.295 14.086 19.291 1.00 43.49 C ATOM 547 CG GLU A 78 15.155 13.483 20.671 1.00 56.91 C ATOM 548 CD GLU A 78 14.321 12.221 20.669 1.00 75.63 C ATOM 549 OE1 GLU A 78 14.897 11.118 20.520 1.00 73.38 O ATOM 550 OE2 GLU A 78 13.084 12.338 20.803 1.00 66.99 O ATOM 551 H GLU A 78 13.904 16.079 18.380 1.00 0.00 H ATOM 552 N TYR A 79 16.849 16.477 17.294 1.00 37.97 N ATOM 553 CA TYR A 79 17.993 16.639 16.399 1.00 35.83 C ATOM 554 C TYR A 79 18.674 17.947 16.673 1.00 40.42 C ATOM 555 O TYR A 79 18.040 18.998 16.560 1.00 41.21 O ATOM 556 CB TYR A 79 17.587 16.560 14.924 1.00 34.09 C ATOM 557 CG TYR A 79 17.204 15.173 14.469 1.00 33.07 C ATOM 558 CD1 TYR A 79 18.154 14.154 14.382 1.00 33.98 C ATOM 559 CD2 TYR A 79 15.897 14.882 14.093 1.00 33.39 C ATOM 560 CE1 TYR A 79 17.805 12.879 13.941 1.00 32.24 C ATOM 561 CE2 TYR A 79 15.546 13.625 13.614 1.00 33.06 C ATOM 562 CZ TYR A 79 16.491 12.614 13.581 1.00 35.30 C ATOM 563 OH TYR A 79 16.109 11.387 13.114 1.00 30.46 O ATOM 564 HH TYR A 79 16.881 10.768 13.148 1.00 0.00 H ATOM 565 H TYR A 79 15.950 16.959 17.092 1.00 0.00 H ATOM 566 N LYS A 80 19.956 17.899 17.051 1.00 36.87 N ATOM 567 CA LYS A 80 20.677 19.143 17.291 1.00 37.37 C ATOM 568 C LYS A 80 21.345 19.640 16.013 1.00 37.53 C ATOM 569 O LYS A 80 21.714 20.816 15.926 1.00 38.16 O ATOM 570 CB LYS A 80 21.638 19.035 18.489 1.00 43.51 C ATOM 571 CG LYS A 80 22.967 18.341 18.264 1.00 58.39 C ATOM 572 CD LYS A 80 23.707 18.240 19.597 1.00 72.91 C ATOM 573 CE LYS A 80 25.012 17.488 19.517 1.00 81.28 C ATOM 574 NZ LYS A 80 25.531 17.168 20.868 1.00 88.54 N ATOM 575 HZ1 LYS A 80 25.688 18.050 21.396 1.00 0.00 H ATOM 576 HZ2 LYS A 80 24.839 16.579 21.373 1.00 0.00 H ATOM 577 HZ3 LYS A 80 26.429 16.651 20.780 1.00 0.00 H ATOM 578 H LYS A 80 20.434 16.983 17.173 1.00 0.00 H ATOM 579 N SER A 81 21.470 18.754 15.003 1.00 30.94 N ATOM 580 CA SER A 81 22.080 19.138 13.739 1.00 28.90 C ATOM 581 C SER A 81 21.525 18.349 12.558 1.00 31.74 C ATOM 582 O SER A 81 20.990 17.250 12.748 1.00 30.42 O ATOM 583 CB SER A 81 23.591 18.952 13.806 1.00 31.86 C ATOM 584 OG SER A 81 23.904 17.569 13.833 1.00 34.23 O ATOM 585 HG SER A 81 24.886 17.455 13.876 1.00 0.00 H ATOM 586 H SER A 81 21.125 17.781 15.130 1.00 0.00 H ATOM 587 N VAL A 82 21.721 18.885 11.332 1.00 29.67 N ATOM 588 CA VAL A 82 21.356 18.182 10.094 1.00 29.33 C ATOM 589 C VAL A 82 22.228 16.932 9.963 1.00 32.63 C ATOM 590 O VAL A 82 21.750 15.911 9.459 1.00 31.33 O ATOM 591 CB VAL A 82 21.442 19.101 8.847 1.00 33.64 C ATOM 592 CG1 VAL A 82 21.141 18.329 7.566 1.00 33.41 C ATOM 593 CG2 VAL A 82 20.472 20.265 8.981 1.00 34.08 C ATOM 594 H VAL A 82 22.147 19.831 11.262 1.00 0.00 H ATOM 595 N THR A 83 23.499 16.991 10.451 1.00 29.30 N ATOM 596 CA THR A 83 24.423 15.853 10.439 1.00 28.40 C ATOM 597 C THR A 83 23.810 14.663 11.165 1.00 32.32 C ATOM 598 O THR A 83 23.867 13.561 10.635 1.00 31.14 O ATOM 599 CB THR A 83 25.812 16.266 10.949 1.00 35.85 C ATOM 600 OG1 THR A 83 26.312 17.252 10.045 1.00 42.67 O ATOM 601 CG2 THR A 83 26.801 15.097 11.005 1.00 37.67 C ATOM 602 HG1 THR A 83 25.698 18.028 10.033 1.00 0.00 H ATOM 603 H THR A 83 23.831 17.891 10.853 1.00 0.00 H ATOM 604 N GLU A 84 23.168 14.892 12.327 1.00 29.00 N ATOM 605 CA GLU A 84 22.514 13.814 13.101 1.00 27.96 C ATOM 606 C GLU A 84 21.337 13.230 12.325 1.00 29.71 C ATOM 607 O GLU A 84 21.147 12.008 12.330 1.00 28.93 O ATOM 608 CB GLU A 84 21.998 14.335 14.452 1.00 30.19 C ATOM 609 CG GLU A 84 23.094 14.594 15.470 1.00 38.85 C ATOM 610 CD GLU A 84 22.596 15.061 16.825 1.00 55.36 C ATOM 611 OE1 GLU A 84 21.384 15.346 16.960 1.00 38.82 O ATOM 612 OE2 GLU A 84 23.421 15.125 17.762 1.00 59.94 O ATOM 613 H GLU A 84 23.131 15.864 12.694 1.00 0.00 H ATOM 614 N PHE A 85 20.531 14.106 11.676 1.00 26.17 N ATOM 615 CA PHE A 85 19.393 13.681 10.852 1.00 24.96 C ATOM 616 C PHE A 85 19.893 12.816 9.699 1.00 27.93 C ATOM 617 O PHE A 85 19.345 11.735 9.464 1.00 26.86 O ATOM 618 CB PHE A 85 18.622 14.920 10.349 1.00 26.03 C ATOM 619 CG PHE A 85 17.469 14.628 9.423 1.00 26.74 C ATOM 620 CD1 PHE A 85 16.215 14.309 9.929 1.00 29.43 C ATOM 621 CD2 PHE A 85 17.633 14.698 8.044 1.00 27.44 C ATOM 622 CE1 PHE A 85 15.137 14.078 9.068 1.00 31.19 C ATOM 623 CE2 PHE A 85 16.555 14.464 7.180 1.00 29.38 C ATOM 624 CZ PHE A 85 15.321 14.138 7.698 1.00 29.35 C ATOM 625 H PHE A 85 20.728 15.123 11.766 1.00 0.00 H ATOM 626 N LYS A 86 20.955 13.273 8.996 1.00 24.74 N ATOM 627 CA LYS A 86 21.552 12.508 7.885 1.00 24.04 C ATOM 628 C LYS A 86 22.047 11.135 8.358 1.00 26.60 C ATOM 629 O LYS A 86 21.861 10.146 7.652 1.00 24.62 O ATOM 630 CB LYS A 86 22.710 13.284 7.241 1.00 27.65 C ATOM 631 CG LYS A 86 22.246 14.497 6.433 1.00 32.49 C ATOM 632 CD LYS A 86 23.414 15.405 6.005 1.00 35.83 C ATOM 633 CE LYS A 86 24.289 14.794 4.934 1.00 39.64 C ATOM 634 NZ LYS A 86 25.301 15.779 4.459 1.00 39.28 N ATOM 635 HZ1 LYS A 86 24.816 16.610 4.065 1.00 0.00 H ATOM 636 HZ2 LYS A 86 25.899 16.072 5.258 1.00 0.00 H ATOM 637 HZ3 LYS A 86 25.892 15.340 3.724 1.00 0.00 H ATOM 638 H LYS A 86 21.364 14.195 9.248 1.00 0.00 H ATOM 639 N ALA A 87 22.647 11.066 9.559 1.00 25.50 N ATOM 640 CA ALA A 87 23.153 9.807 10.111 1.00 25.03 C ATOM 641 C ALA A 87 22.008 8.811 10.347 1.00 27.72 C ATOM 642 O ALA A 87 22.170 7.622 10.066 1.00 25.02 O ATOM 643 CB ALA A 87 23.912 10.068 11.406 1.00 27.67 C ATOM 644 H ALA A 87 22.756 11.937 10.116 1.00 0.00 H ATOM 645 N ASP A 88 20.845 9.285 10.844 1.00 26.08 N ATOM 646 CA ASP A 88 19.689 8.400 11.048 1.00 25.00 C ATOM 647 C ASP A 88 19.162 7.898 9.710 1.00 25.23 C ATOM 648 O ASP A 88 18.852 6.721 9.549 1.00 23.56 O ATOM 649 CB ASP A 88 18.577 9.127 11.813 1.00 26.84 C ATOM 650 CG ASP A 88 18.696 9.036 13.322 1.00 33.00 C ATOM 651 OD1 ASP A 88 19.590 8.318 13.806 1.00 32.01 O ATOM 652 OD2 ASP A 88 17.861 9.640 14.017 1.00 34.53 O ATOM 653 H ASP A 88 20.766 10.293 11.087 1.00 0.00 H ATOM 654 N PHE A 89 19.080 8.797 8.736 1.00 24.47 N ATOM 655 CA PHE A 89 18.629 8.462 7.407 1.00 24.11 C ATOM 656 C PHE A 89 19.555 7.387 6.774 1.00 24.96 C ATOM 657 O PHE A 89 19.077 6.404 6.208 1.00 24.90 O ATOM 658 CB PHE A 89 18.632 9.762 6.603 1.00 27.13 C ATOM 659 CG PHE A 89 18.423 9.548 5.144 1.00 28.58 C ATOM 660 CD1 PHE A 89 17.207 9.085 4.666 1.00 33.54 C ATOM 661 CD2 PHE A 89 19.454 9.759 4.245 1.00 29.96 C ATOM 662 CE1 PHE A 89 17.018 8.885 3.305 1.00 34.51 C ATOM 663 CE2 PHE A 89 19.264 9.557 2.893 1.00 34.26 C ATOM 664 CZ PHE A 89 18.047 9.129 2.431 1.00 33.43 C ATOM 665 H PHE A 89 19.351 9.780 8.939 1.00 0.00 H ATOM 666 N LYS A 90 20.873 7.609 6.852 1.00 21.51 N ATOM 667 CA LYS A 90 21.862 6.675 6.310 1.00 20.31 C ATOM 668 C LYS A 90 21.755 5.326 7.027 1.00 24.09 C ATOM 669 O LYS A 90 21.836 4.284 6.375 1.00 23.50 O ATOM 670 CB LYS A 90 23.280 7.248 6.446 1.00 22.19 C ATOM 671 CG LYS A 90 24.341 6.336 5.782 1.00 24.40 C ATOM 672 CD LYS A 90 25.727 6.968 5.829 1.00 26.83 C ATOM 673 CE LYS A 90 26.738 6.097 5.114 1.00 29.12 C ATOM 674 NZ LYS A 90 27.048 4.864 5.896 1.00 28.88 N ATOM 675 HZ1 LYS A 90 27.439 5.131 6.822 1.00 0.00 H ATOM 676 HZ2 LYS A 90 26.176 4.313 6.033 1.00 0.00 H ATOM 677 HZ3 LYS A 90 27.744 4.291 5.377 1.00 0.00 H ATOM 678 H LYS A 90 21.207 8.478 7.315 1.00 0.00 H ATOM 679 N LEU A 91 21.545 5.338 8.362 1.00 21.64 N ATOM 680 CA LEU A 91 21.396 4.093 9.137 1.00 21.76 C ATOM 681 C LEU A 91 20.192 3.292 8.615 1.00 24.67 C ATOM 682 O LEU A 91 20.310 2.079 8.414 1.00 23.26 O ATOM 683 CB LEU A 91 21.202 4.450 10.615 1.00 22.35 C ATOM 684 CG LEU A 91 20.840 3.295 11.550 1.00 25.36 C ATOM 685 CD1 LEU A 91 21.944 2.214 11.562 1.00 25.11 C ATOM 686 CD2 LEU A 91 20.590 3.835 12.953 1.00 26.98 C ATOM 687 H LEU A 91 21.487 6.251 8.856 1.00 0.00 H ATOM 688 N MET A 92 19.050 3.971 8.386 1.00 22.33 N ATOM 689 CA MET A 92 17.848 3.338 7.840 1.00 21.29 C ATOM 690 C MET A 92 18.160 2.627 6.519 1.00 23.79 C ATOM 691 O MET A 92 17.778 1.461 6.337 1.00 23.40 O ATOM 692 CB MET A 92 16.754 4.396 7.635 1.00 23.01 C ATOM 693 CG MET A 92 15.424 3.812 7.194 1.00 25.85 C ATOM 694 SD MET A 92 14.267 5.104 6.750 1.00 28.55 S ATOM 695 CE MET A 92 14.967 5.621 5.155 1.00 25.35 C ATOM 696 H MET A 92 19.022 4.987 8.606 1.00 0.00 H ATOM 697 N CYS A 93 18.859 3.333 5.600 1.00 20.87 N ATOM 698 CA CYS A 93 19.186 2.773 4.283 1.00 20.95 C ATOM 699 C CYS A 93 20.187 1.660 4.402 1.00 23.19 C ATOM 700 O CYS A 93 19.999 0.617 3.784 1.00 22.81 O ATOM 701 CB CYS A 93 19.683 3.868 3.357 1.00 20.88 C ATOM 702 SG CYS A 93 18.431 5.124 3.035 1.00 24.69 S ATOM 703 H CYS A 93 19.173 4.297 5.833 1.00 0.00 H ATOM 704 N ASP A 94 21.231 1.851 5.228 1.00 20.99 N ATOM 705 CA ASP A 94 22.255 0.820 5.426 1.00 20.69 C ATOM 706 C ASP A 94 21.662 -0.457 6.012 1.00 22.46 C ATOM 707 O ASP A 94 22.077 -1.554 5.641 1.00 21.97 O ATOM 708 CB ASP A 94 23.364 1.334 6.352 1.00 21.94 C ATOM 709 CG ASP A 94 24.259 2.397 5.737 1.00 25.85 C ATOM 710 OD1 ASP A 94 24.263 2.528 4.480 1.00 25.63 O ATOM 711 OD2 ASP A 94 25.030 3.025 6.490 1.00 24.79 O ATOM 712 H ASP A 94 21.314 2.753 5.739 1.00 0.00 H ATOM 713 N ASN A 95 20.692 -0.323 6.926 1.00 21.05 N ATOM 714 CA ASN A 95 20.058 -1.501 7.521 1.00 20.84 C ATOM 715 C ASN A 95 19.350 -2.310 6.445 1.00 22.90 C ATOM 716 O ASN A 95 19.486 -3.535 6.423 1.00 20.81 O ATOM 717 CB ASN A 95 19.043 -1.082 8.580 1.00 20.85 C ATOM 718 CG ASN A 95 19.662 -0.616 9.869 1.00 22.72 C ATOM 719 OD1 ASN A 95 20.822 -0.904 10.181 1.00 22.88 O ATOM 720 ND2 ASN A 95 18.839 0.017 10.693 1.00 22.86 N ATOM 721 HD22 ASN A 95 17.870 0.240 10.390 1.00 0.00 H ATOM 722 HD21 ASN A 95 19.163 0.290 11.643 1.00 0.00 H ATOM 723 H ASN A 95 20.386 0.628 7.216 1.00 0.00 H ATOM 724 N ALA A 96 18.604 -1.632 5.549 1.00 21.02 N ATOM 725 CA ALA A 96 17.902 -2.310 4.465 1.00 21.30 C ATOM 726 C ALA A 96 18.884 -2.995 3.525 1.00 22.86 C ATOM 727 O ALA A 96 18.582 -4.075 3.046 1.00 22.87 O ATOM 728 CB ALA A 96 17.017 -1.340 3.698 1.00 22.82 C ATOM 729 H ALA A 96 18.527 -0.598 5.633 1.00 0.00 H ATOM 730 N MET A 97 20.030 -2.370 3.249 1.00 20.54 N ATOM 731 CA MET A 97 21.025 -2.958 2.345 1.00 19.73 C ATOM 732 C MET A 97 21.801 -4.093 3.008 1.00 23.55 C ATOM 733 O MET A 97 22.291 -4.987 2.309 1.00 23.76 O ATOM 734 CB MET A 97 21.934 -1.876 1.753 1.00 21.84 C ATOM 735 CG MET A 97 21.155 -0.926 0.881 1.00 25.34 C ATOM 736 SD MET A 97 22.160 0.389 0.135 1.00 32.44 S ATOM 737 CE MET A 97 22.734 1.308 1.611 1.00 32.09 C ATOM 738 H MET A 97 20.222 -1.445 3.684 1.00 0.00 H ATOM 739 N THR A 98 21.867 -4.111 4.356 1.00 21.19 N ATOM 740 CA THR A 98 22.520 -5.194 5.099 1.00 21.97 C ATOM 741 C THR A 98 21.600 -6.426 5.197 1.00 24.82 C ATOM 742 O THR A 98 22.050 -7.570 4.991 1.00 24.68 O ATOM 743 CB THR A 98 22.973 -4.714 6.491 1.00 26.96 C ATOM 744 OG1 THR A 98 23.982 -3.715 6.328 1.00 27.69 O ATOM 745 CG2 THR A 98 23.534 -5.853 7.350 1.00 27.50 C ATOM 746 HG1 THR A 98 23.611 -2.954 5.814 1.00 0.00 H ATOM 747 H THR A 98 21.438 -3.327 4.888 1.00 0.00 H ATOM 748 N TYR A 99 20.323 -6.201 5.539 1.00 22.03 N ATOM 749 CA TYR A 99 19.360 -7.287 5.721 1.00 22.04 C ATOM 750 C TYR A 99 18.913 -7.954 4.410 1.00 25.84 C ATOM 751 O TYR A 99 18.816 -9.181 4.338 1.00 27.35 O ATOM 752 CB TYR A 99 18.148 -6.805 6.540 1.00 23.92 C ATOM 753 CG TYR A 99 17.089 -7.865 6.718 1.00 24.80 C ATOM 754 CD1 TYR A 99 17.208 -8.842 7.705 1.00 28.63 C ATOM 755 CD2 TYR A 99 15.979 -7.915 5.880 1.00 25.54 C ATOM 756 CE1 TYR A 99 16.238 -9.836 7.861 1.00 29.77 C ATOM 757 CE2 TYR A 99 15.009 -8.909 6.021 1.00 27.85 C ATOM 758 CZ TYR A 99 15.149 -9.875 7.006 1.00 35.97 C ATOM 759 OH TYR A 99 14.188 -10.856 7.144 1.00 39.62 O ATOM 760 HH TYR A 99 14.439 -11.460 7.887 1.00 0.00 H ATOM 761 H TYR A 99 20.006 -5.220 5.680 1.00 0.00 H ATOM 762 N ASN A 100 18.558 -7.134 3.415 1.00 21.72 N ATOM 763 CA ASN A 100 18.018 -7.590 2.137 1.00 21.84 C ATOM 764 C ASN A 100 19.112 -7.805 1.094 1.00 23.80 C ATOM 765 O ASN A 100 20.007 -6.978 0.978 1.00 22.74 O ATOM 766 CB ASN A 100 17.040 -6.548 1.626 1.00 22.97 C ATOM 767 CG ASN A 100 15.888 -6.312 2.580 1.00 29.28 C ATOM 768 OD1 ASN A 100 14.977 -7.142 2.685 1.00 26.52 O ATOM 769 ND2 ASN A 100 15.914 -5.168 3.296 1.00 22.32 N ATOM 770 HD22 ASN A 100 16.700 -4.497 3.176 1.00 0.00 H ATOM 771 HD21 ASN A 100 15.148 -4.957 3.967 1.00 0.00 H ATOM 772 H ASN A 100 18.673 -6.111 3.560 1.00 0.00 H ATOM 773 N ARG A 101 18.980 -8.859 0.259 1.00 21.87 N ATOM 774 CA ARG A 101 19.958 -9.112 -0.805 1.00 21.18 C ATOM 775 C ARG A 101 19.851 -8.048 -1.916 1.00 24.17 C ATOM 776 O ARG A 101 18.814 -7.389 -2.010 1.00 25.26 O ATOM 777 CB ARG A 101 19.824 -10.526 -1.350 1.00 21.48 C ATOM 778 CG ARG A 101 20.394 -11.537 -0.354 1.00 24.18 C ATOM 779 CD ARG A 101 20.370 -12.926 -0.942 1.00 24.47 C ATOM 780 NE ARG A 101 21.130 -13.850 -0.110 1.00 26.21 N ATOM 781 CZ ARG A 101 21.473 -15.079 -0.483 1.00 29.17 C ATOM 782 NH1 ARG A 101 21.092 -15.553 -1.662 1.00 24.54 N ATOM 783 NH2 ARG A 101 22.221 -15.836 0.314 1.00 26.22 N ATOM 784 HE ARG A 101 21.422 -13.528 0.835 1.00 0.00 H ATOM 785 HH12 ARG A 101 21.364 -16.515 -1.948 1.00 0.00 H ATOM 786 HH11 ARG A 101 20.522 -14.962 -2.300 1.00 0.00 H ATOM 787 HH22 ARG A 101 22.487 -16.797 0.019 1.00 0.00 H ATOM 788 HH21 ARG A 101 22.540 -15.467 1.233 1.00 0.00 H ATOM 789 H ARG A 101 18.171 -9.502 0.373 1.00 0.00 H ATOM 790 N PRO A 102 20.905 -7.866 -2.758 1.00 22.42 N ATOM 791 CA PRO A 102 20.897 -6.753 -3.727 1.00 22.46 C ATOM 792 C PRO A 102 19.807 -6.769 -4.797 1.00 28.03 C ATOM 793 O PRO A 102 19.479 -5.707 -5.328 1.00 29.22 O ATOM 794 CB PRO A 102 22.299 -6.806 -4.342 1.00 24.69 C ATOM 795 CG PRO A 102 23.132 -7.517 -3.326 1.00 26.48 C ATOM 796 CD PRO A 102 22.227 -8.530 -2.733 1.00 22.81 C ATOM 797 N ASP A 103 19.223 -7.924 -5.089 1.00 25.87 N ATOM 798 CA ASP A 103 18.210 -8.003 -6.139 1.00 27.42 C ATOM 799 C ASP A 103 16.788 -7.868 -5.612 1.00 33.57 C ATOM 800 O ASP A 103 15.838 -8.168 -6.336 1.00 36.96 O ATOM 801 CB ASP A 103 18.398 -9.274 -6.987 1.00 30.39 C ATOM 802 CG ASP A 103 18.344 -10.593 -6.221 1.00 34.01 C ATOM 803 OD1 ASP A 103 18.383 -10.559 -4.950 1.00 29.76 O ATOM 804 OD2 ASP A 103 18.310 -11.659 -6.881 1.00 33.24 O ATOM 805 H ASP A 103 19.489 -8.782 -4.565 1.00 0.00 H ATOM 806 N THR A 104 16.633 -7.356 -4.388 1.00 27.82 N ATOM 807 CA THR A 104 15.327 -7.173 -3.770 1.00 27.17 C ATOM 808 C THR A 104 14.805 -5.741 -3.913 1.00 30.82 C ATOM 809 O THR A 104 15.584 -4.786 -4.074 1.00 29.05 O ATOM 810 CB THR A 104 15.357 -7.593 -2.292 1.00 28.20 C ATOM 811 OG1 THR A 104 16.162 -6.661 -1.573 1.00 25.13 O ATOM 812 CG2 THR A 104 15.844 -9.047 -2.079 1.00 27.80 C ATOM 813 HG1 THR A 104 17.080 -6.664 -1.944 1.00 0.00 H ATOM 814 H THR A 104 17.480 -7.076 -3.854 1.00 0.00 H ATOM 815 N VAL A 105 13.474 -5.594 -3.798 1.00 29.78 N ATOM 816 CA VAL A 105 12.795 -4.293 -3.853 1.00 30.71 C ATOM 817 C VAL A 105 13.334 -3.364 -2.736 1.00 30.89 C ATOM 818 O VAL A 105 13.581 -2.187 -2.986 1.00 29.66 O ATOM 819 CB VAL A 105 11.256 -4.509 -3.731 1.00 37.57 C ATOM 820 CG1 VAL A 105 10.503 -3.187 -3.625 1.00 38.70 C ATOM 821 CG2 VAL A 105 10.722 -5.336 -4.900 1.00 39.72 C ATOM 822 H VAL A 105 12.894 -6.447 -3.663 1.00 0.00 H ATOM 823 N TYR A 106 13.515 -3.900 -1.518 1.00 26.74 N ATOM 824 CA TYR A 106 13.957 -3.125 -0.364 1.00 25.69 C ATOM 825 C TYR A 106 15.377 -2.631 -0.503 1.00 26.02 C ATOM 826 O TYR A 106 15.636 -1.489 -0.169 1.00 25.46 O ATOM 827 CB TYR A 106 13.763 -3.892 0.942 1.00 25.62 C ATOM 828 CG TYR A 106 12.368 -4.458 1.067 1.00 27.50 C ATOM 829 CD1 TYR A 106 11.262 -3.619 1.159 1.00 30.42 C ATOM 830 CD2 TYR A 106 12.149 -5.832 1.055 1.00 29.04 C ATOM 831 CE1 TYR A 106 9.972 -4.133 1.261 1.00 32.87 C ATOM 832 CE2 TYR A 106 10.862 -6.358 1.148 1.00 31.45 C ATOM 833 CZ TYR A 106 9.775 -5.501 1.243 1.00 35.64 C ATOM 834 OH TYR A 106 8.502 -5.994 1.350 1.00 36.64 O ATOM 835 HH TYR A 106 8.432 -6.550 2.166 1.00 0.00 H ATOM 836 H TYR A 106 13.331 -4.916 -1.392 1.00 0.00 H ATOM 837 N TYR A 107 16.308 -3.497 -0.964 1.00 23.36 N ATOM 838 CA TYR A 107 17.695 -3.074 -1.158 1.00 21.49 C ATOM 839 C TYR A 107 17.744 -1.940 -2.198 1.00 24.67 C ATOM 840 O TYR A 107 18.326 -0.883 -1.936 1.00 22.81 O ATOM 841 CB TYR A 107 18.526 -4.263 -1.646 1.00 22.58 C ATOM 842 CG TYR A 107 20.000 -3.964 -1.789 1.00 22.95 C ATOM 843 CD1 TYR A 107 20.488 -3.247 -2.885 1.00 25.00 C ATOM 844 CD2 TYR A 107 20.923 -4.474 -0.881 1.00 23.05 C ATOM 845 CE1 TYR A 107 21.857 -3.008 -3.043 1.00 24.89 C ATOM 846 CE2 TYR A 107 22.292 -4.246 -1.034 1.00 23.93 C ATOM 847 CZ TYR A 107 22.752 -3.523 -2.119 1.00 28.04 C ATOM 848 OH TYR A 107 24.105 -3.324 -2.264 1.00 27.92 O ATOM 849 HH TYR A 107 24.273 -2.793 -3.082 1.00 0.00 H ATOM 850 H TYR A 107 16.034 -4.476 -1.183 1.00 0.00 H ATOM 851 N LYS A 108 17.085 -2.145 -3.347 1.00 24.62 N ATOM 852 CA LYS A 108 17.071 -1.164 -4.441 1.00 25.17 C ATOM 853 C LYS A 108 16.476 0.158 -4.018 1.00 29.14 C ATOM 854 O LYS A 108 17.049 1.209 -4.311 1.00 30.25 O ATOM 855 CB LYS A 108 16.362 -1.727 -5.678 1.00 28.19 C ATOM 856 CG LYS A 108 17.154 -2.826 -6.370 1.00 30.43 C ATOM 857 CD LYS A 108 16.337 -3.443 -7.470 1.00 31.60 C ATOM 858 CE LYS A 108 16.978 -4.670 -8.030 1.00 37.16 C ATOM 859 NZ LYS A 108 16.091 -5.286 -9.052 1.00 44.84 N ATOM 860 HZ1 LYS A 108 15.184 -5.543 -8.613 1.00 0.00 H ATOM 861 HZ2 LYS A 108 15.924 -4.605 -9.820 1.00 0.00 H ATOM 862 HZ3 LYS A 108 16.546 -6.139 -9.435 1.00 0.00 H ATOM 863 H LYS A 108 16.562 -3.035 -3.469 1.00 0.00 H ATOM 864 N LEU A 109 15.357 0.111 -3.277 1.00 26.75 N ATOM 865 CA LEU A 109 14.683 1.328 -2.799 1.00 27.38 C ATOM 866 C LEU A 109 15.556 2.069 -1.765 1.00 27.35 C ATOM 867 O LEU A 109 15.657 3.297 -1.812 1.00 26.78 O ATOM 868 CB LEU A 109 13.287 0.996 -2.235 1.00 28.52 C ATOM 869 CG LEU A 109 12.439 2.195 -1.762 1.00 32.51 C ATOM 870 CD1 LEU A 109 12.280 3.240 -2.851 1.00 33.21 C ATOM 871 CD2 LEU A 109 11.089 1.737 -1.261 1.00 37.06 C ATOM 872 H LEU A 109 14.954 -0.816 -3.033 1.00 0.00 H ATOM 873 N ALA A 110 16.225 1.328 -0.888 1.00 23.82 N ATOM 874 CA ALA A 110 17.136 1.918 0.100 1.00 22.15 C ATOM 875 C ALA A 110 18.272 2.663 -0.590 1.00 24.89 C ATOM 876 O ALA A 110 18.624 3.764 -0.160 1.00 24.89 O ATOM 877 CB ALA A 110 17.719 0.830 0.989 1.00 22.10 C ATOM 878 H ALA A 110 16.099 0.296 -0.902 1.00 0.00 H ATOM 879 N LYS A 111 18.850 2.066 -1.646 1.00 24.33 N ATOM 880 CA LYS A 111 19.947 2.680 -2.402 1.00 25.29 C ATOM 881 C LYS A 111 19.449 3.947 -3.084 1.00 29.83 C ATOM 882 O LYS A 111 20.139 4.963 -3.011 1.00 29.15 O ATOM 883 CB LYS A 111 20.556 1.692 -3.409 1.00 29.49 C ATOM 884 CG LYS A 111 21.837 2.208 -4.056 1.00 39.36 C ATOM 885 CD LYS A 111 22.623 1.074 -4.684 1.00 57.11 C ATOM 886 CE LYS A 111 23.886 1.553 -5.347 1.00 73.06 C ATOM 887 NZ LYS A 111 24.578 0.449 -6.059 1.00 85.91 N ATOM 888 HZ1 LYS A 111 24.825 -0.299 -5.380 1.00 0.00 H ATOM 889 HZ2 LYS A 111 23.948 0.061 -6.790 1.00 0.00 H ATOM 890 HZ3 LYS A 111 25.444 0.814 -6.504 1.00 0.00 H ATOM 891 H LYS A 111 18.505 1.130 -1.940 1.00 0.00 H ATOM 892 N LYS A 112 18.201 3.920 -3.618 1.00 27.75 N ATOM 893 CA LYS A 112 17.564 5.054 -4.281 1.00 30.50 C ATOM 894 C LYS A 112 17.330 6.194 -3.288 1.00 35.22 C ATOM 895 O LYS A 112 17.681 7.345 -3.580 1.00 37.68 O ATOM 896 CB LYS A 112 16.241 4.604 -4.940 1.00 33.59 C ATOM 897 CG LYS A 112 15.691 5.557 -5.995 1.00 50.89 C ATOM 898 CD LYS A 112 14.389 5.016 -6.579 1.00 62.77 C ATOM 899 CE LYS A 112 13.943 5.742 -7.826 1.00 76.19 C ATOM 900 NZ LYS A 112 13.401 7.094 -7.527 1.00 85.76 N ATOM 901 HZ1 LYS A 112 12.581 7.005 -6.894 1.00 0.00 H ATOM 902 HZ2 LYS A 112 14.136 7.667 -7.065 1.00 0.00 H ATOM 903 HZ3 LYS A 112 13.108 7.553 -8.413 1.00 0.00 H ATOM 904 H LYS A 112 17.663 3.033 -3.550 1.00 0.00 H ATOM 905 N ILE A 113 16.755 5.873 -2.111 1.00 29.74 N ATOM 906 CA ILE A 113 16.476 6.834 -1.050 1.00 28.45 C ATOM 907 C ILE A 113 17.806 7.459 -0.539 1.00 29.02 C ATOM 908 O ILE A 113 17.892 8.691 -0.418 1.00 27.61 O ATOM 909 CB ILE A 113 15.567 6.202 0.061 1.00 32.26 C ATOM 910 CG1 ILE A 113 14.127 5.964 -0.483 1.00 34.86 C ATOM 911 CG2 ILE A 113 15.487 7.083 1.285 1.00 34.48 C ATOM 912 CD1 ILE A 113 13.210 5.119 0.439 1.00 41.20 C ATOM 913 H ILE A 113 16.495 4.879 -1.950 1.00 0.00 H ATOM 914 N LEU A 114 18.846 6.622 -0.317 1.00 25.11 N ATOM 915 CA LEU A 114 20.148 7.088 0.174 1.00 23.74 C ATOM 916 C LEU A 114 20.747 8.140 -0.747 1.00 28.61 C ATOM 917 O LEU A 114 21.146 9.208 -0.285 1.00 27.32 O ATOM 918 CB LEU A 114 21.118 5.911 0.315 1.00 23.64 C ATOM 919 CG LEU A 114 22.498 6.258 0.904 1.00 27.17 C ATOM 920 CD1 LEU A 114 22.377 6.876 2.304 1.00 27.82 C ATOM 921 CD2 LEU A 114 23.374 5.024 0.930 1.00 27.54 C ATOM 922 H LEU A 114 18.717 5.607 -0.502 1.00 0.00 H ATOM 923 N HIS A 115 20.802 7.840 -2.053 1.00 27.96 N ATOM 924 CA HIS A 115 21.357 8.778 -3.016 1.00 29.07 C ATOM 925 C HIS A 115 20.528 10.066 -3.102 1.00 34.01 C ATOM 926 O HIS A 115 21.102 11.162 -3.193 1.00 34.10 O ATOM 927 CB HIS A 115 21.560 8.088 -4.367 1.00 30.96 C ATOM 928 CG HIS A 115 22.803 7.251 -4.418 1.00 34.17 C ATOM 929 ND1 HIS A 115 22.872 6.013 -3.797 1.00 35.26 N ATOM 930 CD2 HIS A 115 23.989 7.503 -5.018 1.00 37.15 C ATOM 931 CE1 HIS A 115 24.087 5.551 -4.050 1.00 35.26 C ATOM 932 NE2 HIS A 115 24.797 6.415 -4.779 1.00 36.68 N ATOM 933 H HIS A 115 20.442 6.922 -2.382 1.00 0.00 H ATOM 934 N ALA A 116 19.184 9.962 -2.995 1.00 30.70 N ATOM 935 CA ALA A 116 18.300 11.134 -3.038 1.00 32.51 C ATOM 936 C ALA A 116 18.527 12.059 -1.824 1.00 33.76 C ATOM 937 O ALA A 116 18.566 13.280 -1.973 1.00 34.62 O ATOM 938 CB ALA A 116 16.840 10.701 -3.124 1.00 34.18 C ATOM 939 H ALA A 116 18.761 9.019 -2.878 1.00 0.00 H ATOM 940 N GLY A 117 18.721 11.470 -0.649 1.00 28.26 N ATOM 941 CA GLY A 117 18.979 12.227 0.569 1.00 27.74 C ATOM 942 C GLY A 117 20.340 12.881 0.557 1.00 30.07 C ATOM 943 O GLY A 117 20.471 14.029 0.977 1.00 29.57 O ATOM 944 H GLY A 117 18.688 10.432 -0.597 1.00 0.00 H ATOM 945 N PHE A 118 21.365 12.175 0.069 1.00 26.68 N ATOM 946 CA PHE A 118 22.701 12.766 0.043 1.00 26.62 C ATOM 947 C PHE A 118 22.832 13.817 -1.062 1.00 31.41 C ATOM 948 O PHE A 118 23.659 14.719 -0.940 1.00 32.24 O ATOM 949 CB PHE A 118 23.799 11.683 0.007 1.00 28.17 C ATOM 950 CG PHE A 118 24.159 11.268 1.414 1.00 29.69 C ATOM 951 CD1 PHE A 118 23.335 10.416 2.137 1.00 32.18 C ATOM 952 CD2 PHE A 118 25.286 11.788 2.044 1.00 34.26 C ATOM 953 CE1 PHE A 118 23.636 10.080 3.461 1.00 33.60 C ATOM 954 CE2 PHE A 118 25.598 11.437 3.365 1.00 36.92 C ATOM 955 CZ PHE A 118 24.768 10.591 4.067 1.00 34.14 C ATOM 956 H PHE A 118 21.212 11.211 -0.290 1.00 0.00 H ATOM 957 N LYS A 119 21.953 13.776 -2.078 1.00 29.25 N ATOM 958 CA LYS A 119 21.930 14.831 -3.108 1.00 31.27 C ATOM 959 C LYS A 119 21.265 16.074 -2.491 1.00 37.54 C ATOM 960 O LYS A 119 21.797 17.183 -2.578 1.00 38.88 O ATOM 961 CB LYS A 119 21.173 14.345 -4.371 1.00 33.55 C ATOM 962 CG LYS A 119 20.833 15.458 -5.372 1.00 41.83 C ATOM 963 CD LYS A 119 20.009 14.956 -6.541 1.00 50.81 C ATOM 964 CE LYS A 119 19.691 16.096 -7.490 1.00 63.65 C ATOM 965 NZ LYS A 119 19.062 15.621 -8.753 1.00 70.41 N ATOM 966 HZ1 LYS A 119 19.711 14.969 -9.238 1.00 0.00 H ATOM 967 HZ2 LYS A 119 18.174 15.128 -8.532 1.00 0.00 H ATOM 968 HZ3 LYS A 119 18.864 16.436 -9.368 1.00 0.00 H ATOM 969 H LYS A 119 21.278 12.987 -2.139 1.00 0.00 H ATOM 970 N MET A 120 20.115 15.880 -1.834 1.00 35.18 N ATOM 971 CA MET A 120 19.329 16.941 -1.213 1.00 36.03 C ATOM 972 C MET A 120 20.059 17.657 -0.065 1.00 36.45 C ATOM 973 O MET A 120 19.889 18.870 0.126 1.00 36.37 O ATOM 974 CB MET A 120 18.015 16.324 -0.728 1.00 39.01 C ATOM 975 CG MET A 120 16.998 17.303 -0.227 1.00 44.64 C ATOM 976 SD MET A 120 15.578 16.390 0.406 1.00 50.63 S ATOM 977 CE MET A 120 16.306 15.574 1.766 1.00 45.68 C ATOM 978 H MET A 120 19.757 14.906 -1.761 1.00 0.00 H ATOM 979 N MET A 121 20.849 16.901 0.704 1.00 30.69 N ATOM 980 CA MET A 121 21.563 17.398 1.873 1.00 29.07 C ATOM 981 C MET A 121 23.085 17.378 1.672 1.00 32.94 C ATOM 982 O MET A 121 23.844 17.210 2.631 1.00 32.05 O ATOM 983 CB MET A 121 21.128 16.600 3.115 1.00 29.52 C ATOM 984 CG MET A 121 19.624 16.631 3.341 1.00 32.46 C ATOM 985 SD MET A 121 19.107 15.649 4.768 1.00 34.33 S ATOM 986 CE MET A 121 19.283 13.925 4.116 1.00 31.71 C ATOM 987 H MET A 121 20.961 15.898 0.453 1.00 0.00 H ATOM 988 N SER A 122 23.522 17.635 0.436 1.00 30.40 N ATOM 989 CA SER A 122 24.945 17.683 0.085 1.00 31.61 C ATOM 990 C SER A 122 25.641 18.841 0.789 1.00 35.47 C ATOM 991 O SER A 122 24.980 19.828 1.145 1.00 33.61 O ATOM 992 CB SER A 122 25.121 17.817 -1.427 1.00 34.58 C ATOM 993 OG SER A 122 24.712 19.095 -1.892 1.00 38.39 O ATOM 994 HG SER A 122 24.840 19.145 -2.872 1.00 0.00 H ATOM 995 H SER A 122 22.821 17.809 -0.312 1.00 0.00 H ATOM 996 N LYS A 123 26.968 18.735 0.976 1.00 33.89 N ATOM 997 CA LYS A 123 27.765 19.804 1.589 1.00 35.49 C ATOM 998 C LYS A 123 27.571 21.116 0.816 1.00 40.59 C ATOM 999 O LYS A 123 27.419 22.180 1.437 1.00 38.01 O ATOM 1000 CB LYS A 123 29.248 19.396 1.704 1.00 39.39 C ATOM 1001 CG LYS A 123 29.498 18.303 2.742 1.00 47.94 C ATOM 1002 CD LYS A 123 30.986 17.927 2.828 1.00 56.05 C ATOM 1003 CE LYS A 123 31.259 16.469 2.518 1.00 56.74 C ATOM 1004 NZ LYS A 123 31.299 16.213 1.057 1.00 45.08 N ATOM 1005 HZ1 LYS A 123 30.384 16.471 0.636 1.00 0.00 H ATOM 1006 HZ2 LYS A 123 32.053 16.785 0.627 1.00 0.00 H ATOM 1007 HZ3 LYS A 123 31.488 15.204 0.888 1.00 0.00 H ATOM 1008 H LYS A 123 27.448 17.863 0.675 1.00 0.00 H ATOM 1009 N GLU A 124 27.480 21.031 -0.535 1.00 38.42 N ATOM 1010 CA GLU A 124 27.233 22.191 -1.396 1.00 40.01 C ATOM 1011 C GLU A 124 25.895 22.871 -1.046 1.00 41.92 C ATOM 1012 O GLU A 124 25.847 24.092 -0.859 1.00 42.36 O ATOM 1013 CB GLU A 124 27.238 21.783 -2.875 1.00 42.54 C ATOM 1014 CG GLU A 124 27.362 22.958 -3.829 1.00 55.36 C ATOM 1015 CD GLU A 124 28.407 22.768 -4.911 1.00 79.19 C ATOM 1016 OE1 GLU A 124 28.194 21.911 -5.797 1.00 63.11 O ATOM 1017 OE2 GLU A 124 29.431 23.488 -4.884 1.00 83.35 O ATOM 1018 H GLU A 124 27.591 20.098 -0.981 1.00 0.00 H ATOM 1019 N ARG A 125 24.819 22.072 -0.936 1.00 36.35 N ATOM 1020 CA ARG A 125 23.486 22.590 -0.625 1.00 35.80 C ATOM 1021 C ARG A 125 23.419 23.158 0.796 1.00 38.45 C ATOM 1022 O ARG A 125 22.827 24.226 1.000 1.00 38.40 O ATOM 1023 CB ARG A 125 22.409 21.523 -0.882 1.00 37.00 C ATOM 1024 CG ARG A 125 22.165 21.287 -2.373 1.00 47.96 C ATOM 1025 CD ARG A 125 20.887 20.526 -2.621 1.00 59.82 C ATOM 1026 NE ARG A 125 20.724 20.147 -4.025 1.00 69.13 N ATOM 1027 CZ ARG A 125 19.604 19.650 -4.540 1.00 83.08 C ATOM 1028 NH1 ARG A 125 18.530 19.480 -3.776 1.00 63.81 N ATOM 1029 NH2 ARG A 125 19.545 19.328 -5.825 1.00 74.04 N ATOM 1030 HE ARG A 125 21.537 20.275 -4.661 1.00 0.00 H ATOM 1031 HH12 ARG A 125 17.657 19.091 -4.185 1.00 0.00 H ATOM 1032 HH11 ARG A 125 18.563 19.736 -2.769 1.00 0.00 H ATOM 1033 HH22 ARG A 125 18.667 18.939 -6.224 1.00 0.00 H ATOM 1034 HH21 ARG A 125 20.377 19.464 -6.434 1.00 0.00 H ATOM 1035 H ARG A 125 24.938 21.049 -1.077 1.00 0.00 H ATOM 1036 N LEU A 126 24.086 22.484 1.765 1.00 33.70 N ATOM 1037 CA LEU A 126 24.096 22.976 3.149 1.00 33.10 C ATOM 1038 C LEU A 126 24.912 24.244 3.300 1.00 37.08 C ATOM 1039 O LEU A 126 24.512 25.128 4.053 1.00 36.33 O ATOM 1040 CB LEU A 126 24.530 21.896 4.153 1.00 32.57 C ATOM 1041 CG LEU A 126 23.609 20.675 4.221 1.00 36.36 C ATOM 1042 CD1 LEU A 126 24.205 19.591 5.098 1.00 36.89 C ATOM 1043 CD2 LEU A 126 22.213 21.055 4.716 1.00 36.28 C ATOM 1044 H LEU A 126 24.596 21.610 1.526 1.00 0.00 H ATOM 1045 N LEU A 127 26.025 24.366 2.549 1.00 34.39 N ATOM 1046 CA LEU A 127 26.824 25.594 2.565 1.00 36.75 C ATOM 1047 C LEU A 127 26.022 26.764 1.973 1.00 40.79 C ATOM 1048 O LEU A 127 26.080 27.868 2.517 1.00 40.54 O ATOM 1049 CB LEU A 127 28.159 25.389 1.810 1.00 38.52 C ATOM 1050 CG LEU A 127 29.139 26.567 1.836 1.00 47.36 C ATOM 1051 CD1 LEU A 127 29.608 26.879 3.264 1.00 48.93 C ATOM 1052 CD2 LEU A 127 30.330 26.309 0.919 1.00 51.19 C ATOM 1053 H LEU A 127 26.322 23.572 1.946 1.00 0.00 H ATOM 1054 N ALA A 128 25.253 26.527 0.883 1.00 38.09 N ATOM 1055 CA ALA A 128 24.416 27.583 0.294 1.00 39.11 C ATOM 1056 C ALA A 128 23.336 28.028 1.284 1.00 41.65 C ATOM 1057 O ALA A 128 23.094 29.224 1.399 1.00 42.02 O ATOM 1058 CB ALA A 128 23.775 27.116 -1.001 1.00 40.35 C ATOM 1059 H ALA A 128 25.255 25.579 0.454 1.00 0.00 H ATOM 1060 N LEU A 129 22.743 27.077 2.033 1.00 37.16 N ATOM 1061 CA LEU A 129 21.740 27.371 3.064 1.00 36.13 C ATOM 1062 C LEU A 129 22.372 28.170 4.227 1.00 38.07 C ATOM 1063 O LEU A 129 21.782 29.160 4.687 1.00 35.76 O ATOM 1064 CB LEU A 129 21.097 26.056 3.556 1.00 34.92 C ATOM 1065 CG LEU A 129 19.980 26.152 4.605 1.00 39.47 C ATOM 1066 CD1 LEU A 129 18.852 27.107 4.183 1.00 41.12 C ATOM 1067 CD2 LEU A 129 19.380 24.829 4.836 1.00 41.10 C ATOM 1068 H LEU A 129 23.010 26.085 1.872 1.00 0.00 H ATOM 1069 N LYS A 130 23.595 27.776 4.650 1.00 36.28 N ATOM 1070 CA LYS A 130 24.360 28.459 5.707 1.00 38.06 C ATOM 1071 C LYS A 130 24.660 29.886 5.297 1.00 43.95 C ATOM 1072 O LYS A 130 24.476 30.799 6.102 1.00 45.60 O ATOM 1073 CB LYS A 130 25.692 27.732 5.989 1.00 40.78 C ATOM 1074 CG LYS A 130 25.709 26.880 7.242 1.00 54.72 C ATOM 1075 CD LYS A 130 27.140 26.495 7.608 1.00 65.88 C ATOM 1076 CE LYS A 130 27.306 25.025 7.912 1.00 75.88 C ATOM 1077 NZ LYS A 130 27.307 24.193 6.678 1.00 84.30 N ATOM 1078 HZ1 LYS A 130 26.406 24.320 6.175 1.00 0.00 H ATOM 1079 HZ2 LYS A 130 28.093 24.487 6.064 1.00 0.00 H ATOM 1080 HZ3 LYS A 130 27.423 23.192 6.936 1.00 0.00 H ATOM 1081 H LYS A 130 24.021 26.940 4.202 1.00 0.00 H ATOM 1082 N ARG A 131 25.095 30.096 4.032 1.00 40.86 N ATOM 1083 CA ARG A 131 25.392 31.447 3.534 1.00 42.92 C ATOM 1084 C ARG A 131 24.131 32.322 3.480 1.00 45.62 C ATOM 1085 O ARG A 131 24.208 33.520 3.760 1.00 46.92 O ATOM 1086 CB ARG A 131 26.099 31.401 2.172 1.00 46.26 C ATOM 1087 CG ARG A 131 27.517 30.848 2.256 1.00 56.84 C ATOM 1088 CD ARG A 131 28.352 31.250 1.060 1.00 71.20 C ATOM 1089 NE ARG A 131 29.750 30.852 1.225 1.00 82.99 N ATOM 1090 CZ ARG A 131 30.385 29.993 0.435 1.00 98.99 C ATOM 1091 NH1 ARG A 131 29.758 29.439 -0.597 1.00 85.65 N ATOM 1092 NH2 ARG A 131 31.656 29.690 0.662 1.00 88.48 N ATOM 1093 HE ARG A 131 30.283 31.270 2.014 1.00 0.00 H ATOM 1094 HH12 ARG A 131 30.261 28.767 -1.211 1.00 0.00 H ATOM 1095 HH11 ARG A 131 28.764 29.677 -0.790 1.00 0.00 H ATOM 1096 HH22 ARG A 131 32.149 29.017 0.041 1.00 0.00 H ATOM 1097 HH21 ARG A 131 32.160 30.125 1.461 1.00 0.00 H ATOM 1098 H ARG A 131 25.222 29.282 3.397 1.00 0.00 H ATOM 1099 N SER A 132 22.964 31.719 3.168 1.00 40.40 N ATOM 1100 CA SER A 132 21.689 32.454 3.116 1.00 40.19 C ATOM 1101 C SER A 132 21.190 32.863 4.504 1.00 43.14 C ATOM 1102 O SER A 132 20.355 33.762 4.609 1.00 41.63 O ATOM 1103 CB SER A 132 20.631 31.651 2.371 1.00 43.63 C ATOM 1104 OG SER A 132 20.119 30.607 3.182 1.00 54.16 O ATOM 1105 HG SER A 132 20.856 29.999 3.439 1.00 0.00 H ATOM 1106 H SER A 132 22.966 30.701 2.957 1.00 0.00 H ATOM 1107 N MET A 133 21.721 32.244 5.571 1.00 41.07 N ATOM 1108 CA MET A 133 21.347 32.608 6.945 1.00 42.48 C ATOM 1109 C MET A 133 22.108 33.850 7.427 1.00 49.34 C ATOM 1110 O MET A 133 21.894 34.294 8.555 1.00 51.03 O ATOM 1111 CB MET A 133 21.532 31.417 7.897 1.00 43.86 C ATOM 1112 CG MET A 133 20.488 30.346 7.712 1.00 46.97 C ATOM 1113 SD MET A 133 21.025 28.786 8.441 1.00 51.19 S ATOM 1114 CE MET A 133 19.683 27.728 7.927 1.00 46.69 C ATOM 1115 H MET A 133 22.417 31.486 5.421 1.00 0.00 H ATOM 1116 N SER A 134 22.943 34.456 6.557 1.00 46.85 N ATOM 1117 CA SER A 134 23.694 35.671 6.896 1.00 60.10 C ATOM 1118 C SER A 134 22.797 36.900 6.817 1.00 87.64 C ATOM 1119 O SER A 134 21.651 36.794 6.387 1.00 42.36 O ATOM 1120 CB SER A 134 24.895 35.846 5.975 1.00 64.65 C ATOM 1121 OG SER A 134 25.792 34.754 6.101 1.00 73.97 O ATOM 1122 HG SER A 134 25.325 33.915 5.860 1.00 0.00 H ATOM 1123 H SER A 134 23.059 34.046 5.608 1.00 0.00 H TER 1124 SER A 134 HETATM 1125 O HOH 1 12.910 -2.785 13.433 1.00 34.87 O HETATM 1126 O HOH 2 24.942 -2.034 -4.420 1.00 39.23 O HETATM 1127 O HOH 3 20.909 -3.826 -6.546 1.00 32.06 O HETATM 1128 O HOH 4 12.975 1.396 13.160 1.00 32.74 O HETATM 1129 O HOH 5 15.576 -2.653 6.562 1.00 24.93 O HETATM 1130 O HOH 6 26.189 16.928 15.059 1.00 41.42 O HETATM 1131 O HOH 7 23.792 -10.385 14.507 1.00 39.25 O HETATM 1132 O HOH 8 17.027 -12.300 -3.435 1.00 35.48 O HETATM 1133 O HOH 9 23.212 22.671 17.154 1.00 47.28 O HETATM 1134 O HOH 10 20.859 -11.559 -4.629 1.00 26.87 O HETATM 1135 O HOH 11 24.729 -1.603 4.839 1.00 45.12 O HETATM 1136 O HOH 12 24.403 -8.089 13.208 1.00 37.92 O HETATM 1137 O HOH 13 23.382 -0.604 9.389 1.00 40.30 O HETATM 1138 O HOH 14 14.476 -9.461 1.396 1.00 29.45 O HETATM 1139 O HOH 15 26.296 3.659 3.106 1.00 41.97 O HETATM 1140 O HOH 16 18.615 2.669 16.221 1.00 39.90 O HETATM 1141 O HOH 17 11.334 10.563 19.757 1.00 43.80 O HETATM 1142 O HOH 18 7.407 6.412 4.104 1.00 38.75 O HETATM 1143 O HOH 19 7.647 13.157 19.176 1.00 42.38 O HETATM 1144 O HOH 20 6.961 -8.800 4.455 1.00 47.45 O HETATM 1145 O HOH 21 11.404 13.724 -3.446 1.00 56.78 O HETATM 1146 O HOH 22 21.869 10.483 14.449 1.00 37.36 O HETATM 1147 O HOH 23 22.229 7.707 13.784 1.00 47.22 O HETATM 1148 O HOH 24 17.050 14.469 -3.879 1.00 45.12 O HETATM 1149 O HOH 25 7.127 13.369 6.217 1.00 48.48 O HETATM 1150 O HOH 26 17.711 8.489 -6.039 1.00 42.67 O HETATM 1151 O HOH 27 23.603 18.212 -4.323 1.00 48.00 O HETATM 1152 O HOH 28 25.196 19.700 10.407 1.00 43.24 O HETATM 1153 O HOH 29 24.798 3.681 9.114 1.00 32.13 O HETATM 1154 O HOH 30 2.037 -0.617 1.111 1.00 55.83 O HETATM 1155 O HOH 31 10.744 0.192 7.679 1.00 32.02 O HETATM 1156 O HOH 32 8.470 -14.021 11.154 1.00 70.46 O HETATM 1157 O HOH 33 3.982 -6.541 11.918 1.00 54.84 O HETATM 1158 O HOH 34 7.589 2.685 -1.591 1.00 35.51 O HETATM 1159 O HOH 35 7.897 20.147 14.263 1.00 51.33 O HETATM 1160 O HOH 36 26.150 14.398 -1.996 1.00 35.72 O HETATM 1161 O HOH 37 9.524 7.137 17.950 1.00 47.77 O HETATM 1162 O HOH 38 4.196 0.980 6.543 1.00 47.57 O HETATM 1163 O HOH 39 18.156 20.758 -0.807 1.00 39.85 O HETATM 1164 O HOH 40 15.797 -0.473 10.163 1.00 26.66 O HETATM 1165 O HOH 41 19.780 13.230 17.666 1.00 65.85 O HETATM 1166 O HOH 42 13.268 1.196 7.903 1.00 29.89 O HETATM 1167 O HOH 43 24.565 6.301 10.139 1.00 31.41 O HETATM 1168 O HOH 44 8.754 22.378 6.695 1.00 49.74 O HETATM 1169 O HOH 45 5.907 -1.140 12.411 1.00 50.59 O HETATM 1170 O HOH 46 28.235 22.182 4.051 1.00 48.72 O HETATM 1171 O HOH 47 6.066 13.213 1.870 1.00 48.38 O HETATM 1172 O HOH 48 10.368 29.105 16.877 1.00 61.58 O HETATM 1173 O HOH 49 8.005 8.768 -5.686 1.00 58.41 O HETATM 1174 O HOH 50 16.537 -4.631 16.417 1.00 43.46 O HETATM 1175 O HOH 51 8.157 -8.654 2.000 1.00 40.26 O HETATM 1176 O HOH 52 12.595 -1.019 -5.286 1.00 35.34 O HETATM 1177 O HOH 53 6.009 7.557 8.603 1.00 42.71 O HETATM 1178 O HOH 54 8.607 20.763 1.677 1.00 49.46 O HETATM 1179 O HOH 55 15.473 20.478 -0.583 1.00 55.57 O HETATM 1180 O HOH 56 20.015 -10.848 6.218 1.00 38.30 O HETATM 1181 O HOH 57 29.322 3.528 5.003 1.00 39.04 O HETATM 1182 O HOH 58 19.749 7.203 16.353 1.00 48.28 O HETATM 1183 O HOH 59 15.569 -0.026 7.175 1.00 27.60 O HETATM 1184 O HOH 60 27.157 26.107 -2.284 1.00 45.06 O HETATM 1185 O HOH 61 15.272 18.780 16.245 1.00 50.99 O HETATM 1186 O HOH 62 8.135 15.846 7.405 1.00 40.44 O HETATM 1187 O HOH 63 16.223 -8.036 -9.556 1.00 49.16 O HETATM 1188 O HOH 64 20.746 10.572 16.926 1.00 65.46 O HETATM 1189 O HOH 65 27.459 14.742 3.000 1.00 31.02 O HETATM 1190 O HOH 66 28.153 6.006 8.207 1.00 39.18 O HETATM 1191 O HOH 67 10.928 8.215 -8.232 1.00 59.04 O HETATM 1192 O HOH 68 10.747 17.875 -6.192 1.00 78.13 O HETATM 1193 O HOH 69 12.525 -10.112 3.397 1.00 37.36 O HETATM 1194 O HOH 70 17.578 17.147 -5.021 1.00 52.63 O HETATM 1195 O HOH 71 18.103 -14.351 -6.088 1.00 39.44 O HETATM 1196 O HOH 72 17.899 -11.591 3.210 1.00 38.55 O HETATM 1197 O HOH 73 12.296 -6.321 14.293 1.00 36.98 O HETATM 1198 O HOH 74 13.511 -5.361 -7.920 1.00 46.06 O HETATM 1199 O HOH 75 21.899 -1.696 12.666 1.00 27.19 O HETATM 1200 O HOH 76 16.436 -11.570 17.795 1.00 40.37 O HETATM 1201 O HOH 77 11.716 8.733 17.765 1.00 37.66 O HETATM 1202 O HOH 78 18.140 -9.821 18.997 1.00 29.97 O HETATM 1203 O HOH 79 9.198 19.787 20.861 1.00 53.10 O HETATM 1204 O HOH 80 26.282 16.943 6.893 1.00 49.05 O HETATM 1205 O HOH 81 15.065 3.008 16.600 1.00 61.63 O HETATM 1206 O HOH 82 25.962 12.467 8.998 1.00 28.10 O HETATM 1207 O HOH 83 13.107 -0.746 11.409 1.00 31.23 O HETATM 1208 O HOH 84 23.203 -4.084 13.160 1.00 34.47 O HETATM 1209 O HOH 85 23.842 -14.842 2.500 1.00 36.43 O HETATM 1210 O HOH 86 12.096 -8.093 -3.234 1.00 39.38 O HETATM 1211 O HOH 87 17.650 -6.504 18.016 1.00 46.67 O HETATM 1212 O HOH 88 18.729 1.006 -6.688 1.00 48.12 O HETATM 1213 O HOH 89 16.248 -3.276 -11.176 1.00 44.52 O HETATM 1214 O HOH 90 28.556 16.152 0.019 1.00 33.99 O HETATM 1215 O HOH 91 9.483 -7.626 16.088 1.00 50.43 O HETATM 1216 O HOH 92 16.856 -10.786 0.890 1.00 26.57 O HETATM 1217 O HOH 93 31.421 24.525 -6.794 1.00 52.80 O HETATM 1218 O HOH 94 7.838 4.788 13.860 1.00 56.68 O HETATM 1219 O HOH 95 6.748 -3.865 9.980 1.00 47.00 O HETATM 1220 O HOH 96 4.767 9.734 -3.116 1.00 61.17 O HETATM 1221 O HOH 97 6.059 6.716 14.594 1.00 56.66 O HETATM 1222 O HOH 98 15.608 17.403 23.021 1.00 57.42 O HETATM 1223 O HOH 99 5.053 7.148 2.662 1.00 61.75 O HETATM 1224 O HOH 100 33.256 27.602 -0.807 1.00 58.29 O HETATM 1225 O HOH 101 5.357 9.027 13.307 1.00 52.24 O HETATM 1226 O HOH 102 28.365 18.741 -2.307 1.00 34.24 O HETATM 1227 O HOH 103 20.036 -13.191 2.683 1.00 44.95 O HETATM 1228 O HOH 104 9.505 11.409 -6.532 1.00 63.44 O HETATM 1229 O HOH 105 7.631 -6.342 -1.604 1.00 66.20 O HETATM 1230 O HOH 106 27.493 1.090 7.007 1.00 58.95 O HETATM 1231 O HOH 107 18.091 11.149 20.628 1.00 57.94 O HETATM 1232 O HOH 108 9.876 22.942 19.969 1.00 65.26 O HETATM 1233 O HOH 109 22.600 -12.496 2.420 1.00 44.55 O HETATM 1234 O HOH 110 3.461 -0.563 8.787 1.00 49.23 O HETATM 1235 O HOH 111 26.563 -0.703 -8.404 1.00 50.72 O HETATM 1236 O HOH 112 13.985 7.692 -10.709 1.00 54.65 O HETATM 1237 O HOH 113 6.363 -12.865 6.527 1.00 77.84 O HETATM 1238 O HOH 114 26.978 2.733 -6.018 1.00 61.54 O HETATM 1239 O HOH 115 18.104 -14.796 -3.006 1.00 52.41 O HETATM 1240 O HOH 116 15.095 -11.748 -7.928 1.00 63.27 O HETATM 1241 O HOH 117 5.333 12.680 17.838 1.00 56.21 O HETATM 1242 O HOH 118 13.630 1.376 -6.067 1.00 39.55 O HETATM 1243 O HOH 119 24.081 16.082 23.955 1.00 54.50 O HETATM 1244 O HOH 120 19.395 -6.604 -9.455 1.00 48.76 O HETATM 1245 O HOH 121 6.950 -12.802 14.800 1.00 61.76 O HETATM 1246 O HOH 122 27.084 14.302 7.263 1.00 37.57 O HETATM 1247 O HOH 123 18.494 -15.371 1.993 1.00 58.01 O HETATM 1248 O HOH 124 24.118 -4.656 10.651 1.00 54.44 O HETATM 1249 O HOH 125 18.945 8.581 19.956 1.00 65.77 O HETATM 1250 O HOH 126 30.206 6.808 6.364 1.00 56.17 O HETATM 1251 O HOH 127 13.115 -16.529 12.491 1.00 62.48 O HETATM 1252 O HOH 128 22.836 3.651 16.317 1.00 60.13 O HETATM 1253 O HOH 129 3.080 -3.135 1.015 1.00 62.75 O HETATM 1254 O HOH 130 8.848 11.123 20.631 1.00 45.88 O HETATM 1255 O HOH 131 16.166 -13.045 4.746 1.00 51.44 O HETATM 1256 O HOH 132 19.795 3.696 -7.064 1.00 51.41 O HETATM 1257 O HOH 133 24.387 6.243 12.868 1.00 50.29 O HETATM 1258 O HOH 134 7.225 14.853 21.275 1.00 46.49 O HETATM 1259 O HOH 135 12.271 20.352 23.486 1.00 65.94 O HETATM 1260 O HOH 136 25.872 10.125 7.610 1.00 29.78 O HETATM 1261 O HOH 137 14.380 -11.624 -5.262 1.00 60.19 O HETATM 1262 O HOH 138 24.598 -2.531 -8.625 1.00 46.38 O HETATM 1263 O HOH 139 9.500 -3.194 15.864 1.00 57.05 O HETATM 1264 O HOH 140 28.448 -0.534 -6.286 1.00 51.30 O HETATM 1265 O HOH 141 28.370 13.241 5.121 1.00 41.31 O HETATM 1266 O HOH 142 23.060 13.224 21.356 1.00 66.71 O HETATM 1267 O HOH 143 10.237 -10.550 1.959 1.00 48.90 O HETATM 1268 O HOH 144 27.603 11.856 10.973 1.00 35.88 O HETATM 1269 O HOH 145 23.962 -3.954 -6.340 1.00 36.21 O HETATM 1270 O HOH 146 20.778 -1.175 -6.227 1.00 41.66 O HETATM 1271 O HOH 147 3.585 7.607 7.395 1.00 48.00 O HETATM 1272 O HOH 148 25.231 1.138 10.251 1.00 50.18 O HETATM 1273 O HOH 149 11.973 -2.041 15.853 1.00 50.32 O HETATM 1274 O HOH 150 18.070 1.277 18.535 1.00 66.03 O HETATM 1275 O HOH 151 8.616 2.415 -4.117 1.00 45.57 O HETATM 1276 O HOH 152 19.195 6.673 -7.535 1.00 72.52 O HETATM 1277 O HOH 153 12.557 0.991 16.024 1.00 36.92 O HETATM 1278 O HOH 154 17.365 -17.765 -0.978 1.00 48.50 O HETATM 1279 O HOH 155 25.513 26.369 -4.611 1.00 57.53 O HETATM 1280 O HOH 156 24.309 -0.107 12.748 1.00 44.68 O HETATM 1281 O HOH 157 1.971 2.603 5.973 1.00 54.33 O HETATM 1282 O HOH 158 26.634 8.060 9.404 1.00 31.41 O HETATM 1283 O HOH 159 27.080 14.370 15.191 1.00 44.29 O HETATM 1284 O HOH 160 11.512 3.075 -6.605 1.00 50.22 O HETATM 1285 O HOH 161 15.078 -14.640 15.309 1.00 46.06 O HETATM 1286 O HOH 162 5.274 9.692 10.466 1.00 49.21 O HETATM 1287 O HOH 163 12.584 -2.766 -7.485 1.00 42.10 O HETATM 1288 O HOH 164 8.416 6.390 -6.952 1.00 54.00 O HETATM 1289 O HOH 165 7.197 -1.733 15.794 1.00 50.38 O HETATM 1290 O HOH 166 16.671 4.382 -9.326 1.00 57.26 O HETATM 1291 O HOH 167 12.483 -9.421 -0.471 1.00 38.62 O HETATM 1292 O HOH 168 18.487 -12.976 6.998 1.00 47.06 O HETATM 1293 O HOH 169 9.869 -0.028 -4.870 1.00 51.91 O HETATM 1294 O HOH 170 15.871 -15.023 -4.584 1.00 64.90 O HETATM 1295 O HOH 171 16.469 23.345 -5.639 1.00 76.38 O HETATM 1296 O HOH 172 16.319 -12.664 -0.959 1.00 33.73 O HETATM 1297 O HOH 173 8.290 -2.000 -6.354 1.00 52.41 O HETATM 1298 O HOH 174 29.712 13.888 10.573 1.00 43.24 O HETATM 1299 O HOH 175 15.607 5.354 17.882 1.00 49.35 O HETATM 1300 O HOH 176 3.707 -2.757 12.403 1.00 70.51 O HETATM 1301 O HOH 177 -0.233 -2.069 8.341 1.00 64.22 O HETATM 1302 O HOH 178 25.368 2.325 13.644 1.00 67.78 O HETATM 1303 O HOH 179 30.899 14.116 5.608 1.00 50.94 O HETATM 1304 O HOH 180 20.735 24.264 -7.018 1.00 70.35 O HETATM 1305 O HOH 181 5.719 12.118 -6.968 1.00 64.58 O HETATM 1306 O HOH 182 2.167 5.699 6.059 1.00 60.96 O HETATM 1307 O HOH 183 12.535 -13.322 -6.364 1.00 65.94 O HETATM 1308 O HOH 184 16.572 -15.630 3.921 1.00 65.40 O HETATM 1309 O HOH 185 2.290 1.267 12.836 1.00 77.57 O HETATM 1310 O HOH 186 1.263 8.632 8.825 1.00 52.56 O HETATM 1311 N3 UNN A 187 11.730 -7.631 4.449 1.00 -0.31 N HETATM 1312 C4 UNN A 187 12.452 -6.521 4.572 1.00 0.02 C HETATM 1313 C6 UNN A 187 11.830 -5.276 4.742 1.00 0.08 C HETATM 1314 C5 UNN A 187 10.403 -5.207 4.767 1.00 -0.01 C HETATM 1315 C10 UNN A 187 9.764 -3.880 4.891 1.00 0.00 C HETATM 1316 C18 UNN A 187 8.283 -3.707 5.012 1.00 -0.06 C HETATM 1317 C17 UNN A 187 7.798 -2.800 5.963 1.00 -0.05 C HETATM 1318 C13 UNN A 187 6.422 -2.606 6.129 1.00 0.08 C HETATM 1319 C21 UNN A 187 5.520 -3.307 5.329 1.00 0.05 C HETATM 1320 C20 UNN A 187 5.985 -4.222 4.381 1.00 0.08 C HETATM 1321 C19 UNN A 187 7.366 -4.426 4.221 1.00 -0.05 C HETATM 1322 H21 UNN A 187 7.726 -5.138 3.487 1.00 0.04 H HETATM 1323 O23 UNN A 187 5.067 -4.940 3.658 1.00 -0.33 O HETATM 1324 C24 UNN A 187 5.406 -5.438 2.357 1.00 0.06 C HETATM 1325 H3 UNN A 187 4.548 -5.984 1.938 1.00 0.06 H HETATM 1326 H4 UNN A 187 6.268 -6.116 2.437 1.00 0.06 H HETATM 1327 H5 UNN A 187 5.662 -4.596 1.697 1.00 0.06 H HETATM 1328 C14 UNN A 187 4.021 -3.134 5.520 1.00 -0.00 C HETATM 1329 N15 UNN A 187 3.537 -1.777 5.198 1.00 0.24 N HETATM 1330 C16 UNN A 187 3.938 -1.302 3.864 1.00 -0.04 C HETATM 1331 H11 UNN A 187 3.541 -0.289 3.701 1.00 0.08 H HETATM 1332 H12 UNN A 187 3.537 -1.981 3.097 1.00 0.08 H HETATM 1333 H13 UNN A 187 5.036 -1.280 3.797 1.00 0.08 H HETATM 1334 C25 UNN A 187 2.068 -1.730 5.321 1.00 -0.04 C HETATM 1335 H14 UNN A 187 1.772 -2.086 6.319 1.00 0.08 H HETATM 1336 H15 UNN A 187 1.615 -2.374 4.553 1.00 0.08 H HETATM 1337 H16 UNN A 187 1.721 -0.695 5.183 1.00 0.08 H HETATM 1338 H24 UNN A 187 3.933 -1.145 5.877 1.00 0.20 H HETATM 1339 H22 UNN A 187 3.777 -3.350 6.571 1.00 0.09 H HETATM 1340 H23 UNN A 187 3.502 -3.852 4.868 1.00 0.09 H HETATM 1341 O22 UNN A 187 5.950 -1.721 7.054 1.00 -0.33 O HETATM 1342 C26 UNN A 187 6.837 -0.762 7.657 1.00 0.06 C HETATM 1343 H6 UNN A 187 6.276 -0.142 8.371 1.00 0.06 H HETATM 1344 H7 UNN A 187 7.270 -0.120 6.875 1.00 0.06 H HETATM 1345 H8 UNN A 187 7.644 -1.291 8.186 1.00 0.06 H HETATM 1346 H2 UNN A 187 8.496 -2.242 6.577 1.00 0.04 H HETATM 1347 C9 UNN A 187 10.570 -2.780 4.911 1.00 0.07 C HETATM 1348 N8 UNN A 187 11.932 -2.849 4.875 1.00 -0.20 N HETATM 1349 C7 UNN A 187 12.599 -4.028 4.850 1.00 0.24 C HETATM 1350 O11 UNN A 187 13.828 -4.067 4.878 1.00 -0.38 O HETATM 1351 C12 UNN A 187 12.695 -1.598 4.990 1.00 0.06 C HETATM 1352 H18 UNN A 187 13.771 -1.820 4.944 1.00 0.06 H HETATM 1353 H19 UNN A 187 12.461 -1.113 5.949 1.00 0.06 H HETATM 1354 H20 UNN A 187 12.424 -0.925 4.163 1.00 0.06 H HETATM 1355 H17 UNN A 187 10.103 -1.797 4.958 1.00 0.13 H HETATM 1356 C1 UNN A 187 9.702 -6.421 4.660 1.00 -0.04 C HETATM 1357 C2 UNN A 187 10.398 -7.594 4.510 1.00 0.00 C HETATM 1358 H10 UNN A 187 9.846 -8.524 4.439 1.00 0.08 H HETATM 1359 H9 UNN A 187 8.619 -6.430 4.696 1.00 0.06 H HETATM 1360 H1 UNN A 187 13.534 -6.579 4.540 1.00 0.08 H CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 1311 1312 1357 CONECT 1312 1311 1313 1360 CONECT 1313 1312 1314 1349 CONECT 1314 1313 1315 1356 CONECT 1315 1314 1316 1347 CONECT 1316 1315 1317 1321 CONECT 1317 1316 1318 1346 CONECT 1318 1317 1319 1341 CONECT 1319 1318 1320 1328 CONECT 1320 1319 1321 1323 CONECT 1321 1316 1320 1322 CONECT 1322 1321 CONECT 1323 1320 1324 CONECT 1324 1323 1325 1326 1327 CONECT 1325 1324 CONECT 1326 1324 CONECT 1327 1324 CONECT 1328 1319 1329 1339 1340 CONECT 1329 1328 1330 1334 1338 CONECT 1330 1329 1331 1332 1333 CONECT 1331 1330 CONECT 1332 1330 CONECT 1333 1330 CONECT 1334 1329 1335 1336 1337 CONECT 1335 1334 CONECT 1336 1334 CONECT 1337 1334 CONECT 1338 1329 CONECT 1339 1328 CONECT 1340 1328 CONECT 1341 1318 1342 CONECT 1342 1341 1343 1344 1345 CONECT 1343 1342 CONECT 1344 1342 CONECT 1345 1342 CONECT 1346 1317 CONECT 1347 1315 1348 1355 CONECT 1348 1347 1349 1351 CONECT 1349 1313 1348 1350 CONECT 1350 1349 CONECT 1351 1348 1352 1353 1354 CONECT 1352 1351 CONECT 1353 1351 CONECT 1354 1351 CONECT 1355 1347 CONECT 1356 1314 1357 1359 CONECT 1357 1311 1356 1358 CONECT 1358 1357 CONECT 1359 1356 CONECT 1360 1312 MASTER 0 0 0 0 0 0 0 0 1359 1 54 9 END
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Pocket-Ligand
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Related entries of code: 5eu1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4uit
RCSB PDB
PDBbind
106aa, >4UIT_1|Chain... at 99%
4uiu
RCSB PDB
PDBbind
106aa, >4UIU_1|Chain... at 99%
4uiv
RCSB PDB
PDBbind
106aa, >4UIV_1|Chain... at 99%
4uiw
RCSB PDB
PDBbind
106aa, >4UIW_1|Chain... at 99%
4xy8
RCSB PDB
PDBbind
123aa, >4XY8_1|Chain... *
4z6h
RCSB PDB
PDBbind
123aa, >4Z6H_1|Chains... at 100%
4z6i
RCSB PDB
PDBbind
123aa, >4Z6I_1|Chains... at 100%
5f1h
RCSB PDB
PDBbind
123aa, >5F1H_1|Chains... at 100%
5f1l
RCSB PDB
PDBbind
123aa, >5F1L_1|Chains... at 100%
5f25
RCSB PDB
PDBbind
123aa, >5F25_1|Chains... at 100%
5f2p
RCSB PDB
PDBbind
123aa, >5F2P_1|Chains... at 100%
5i40
RCSB PDB
PDBbind
102aa, >5I40_1|Chain... at 100%
5i7x
RCSB PDB
PDBbind
101aa, >5I7X_1|Chain... at 100%
5i7y
RCSB PDB
PDBbind
101aa, >5I7Y_1|Chain... at 100%
5igm
RCSB PDB
PDBbind
123aa, >5IGM_1|Chains... at 100%
5ji8
RCSB PDB
PDBbind
111aa, >5JI8_1|Chain... at 92%
5mky
RCSB PDB
PDBbind
106aa, >5MKY_1|Chain... at 99%
6bqa
RCSB PDB
PDBbind
102aa, >6BQA_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5eu1
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
human BRD9
Ligand Name
5SW
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=15.4nM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) J.Med.Chem. Vol. 59: pp. 4462-4475
Ligand Properties
Formula
C
2
0
H
2
4
N
3
O
3
Molecular Weight
354.423
Exact Mass
354.182
No. of atoms
50
No. of bonds
52
Polar Surface Area
57.79
LOGP Value
1.40 (
Computed with XLOGP3
)
1.26 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 6
No. of Rings: 3
Canonical SMILES
COc1cc(cc(c1C[NH+](C)C)OC)c1cn(C)c(=O)c2c1ccnc2
InChI String
InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3/p+1
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):
Q9H8M2
Entrez Gene ID
NCBI Entrez Gene ID:
65980
ASD
Information of known allosteric effects of PDB entries
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