Browse entries in the PDBbind-CN Database
HEADER 6E5X_COMPLEX COMPND 6E5X_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 127 PRO LYS ILE THR LEU LEU THR LEU ILE LYS THR ALA GLU SEQRES 2 A 127 HIS TRP ALA ARG GLN ASP ILE ARG THR ILE GLU ASP SER SEQRES 3 A 127 LYS LEU ARG ALA LEU LEU THR LEU CYS ALA VAL MET THR SEQRES 4 A 127 ARG LYS PHE SER LYS SER GLN LEU SER LEU LEU CYS GLU SEQRES 5 A 127 THR HIS LEU ARG ARG GLU GLY LEU GLY GLN ASP GLN ALA SEQRES 6 A 127 GLU PRO VAL LEU GLU VAL TYR GLN ARG LEU HIS SER ASP SEQRES 7 A 127 LYS GLY GLY SER PHE GLU ALA ALA LEU TRP GLN GLN TRP SEQRES 8 A 127 ASP ARG GLN SER LEU ILE MET PHE ILE THR ALA PHE LEU SEQRES 9 A 127 ASN ILE ALA LEU GLN LEU PRO CYS GLU SER SER ALA VAL SEQRES 10 A 127 VAL VAL SER GLY LEU ARG THR LEU VAL PRO HET CA A 1 1 HET PHE A 278 207 ATOM 1 N PRO A 140 0.659 20.361 45.543 1.00 93.65 N ATOM 2 CA PRO A 140 -0.009 19.330 44.755 1.00 86.64 C ATOM 3 C PRO A 140 0.704 17.973 44.850 1.00 73.90 C ATOM 4 O PRO A 140 1.691 17.742 44.152 1.00 72.08 O ATOM 5 CB PRO A 140 0.054 19.872 43.322 1.00 94.65 C ATOM 6 CG PRO A 140 1.375 20.598 43.283 1.00 96.93 C ATOM 7 CD PRO A 140 1.556 21.148 44.684 1.00 94.51 C ATOM 8 HN2 PRO A 140 1.213 19.912 46.300 1.00 0.00 H ATOM 9 HN1 PRO A 140 -0.055 20.990 45.964 1.00 0.00 H ATOM 10 N LYS A 141 0.193 17.097 45.721 1.00 62.09 N ATOM 11 CA LYS A 141 0.746 15.760 45.913 1.00 58.83 C ATOM 12 C LYS A 141 0.221 14.840 44.804 1.00 42.21 C ATOM 13 O LYS A 141 -0.931 14.954 44.387 1.00 41.09 O ATOM 14 CB LYS A 141 0.391 15.231 47.306 1.00 61.32 C ATOM 15 CG LYS A 141 -1.091 15.261 47.653 1.00 64.18 C ATOM 16 CD LYS A 141 -1.384 14.889 49.091 1.00 66.61 C ATOM 17 CE LYS A 141 -2.864 14.890 49.411 1.00 59.33 C ATOM 18 NZ LYS A 141 -3.113 14.647 50.851 1.00 73.77 N ATOM 19 HZ1 LYS A 141 -2.720 13.722 51.118 1.00 0.00 H ATOM 20 HZ2 LYS A 141 -2.656 15.394 51.412 1.00 0.00 H ATOM 21 HZ3 LYS A 141 -4.137 14.655 51.031 1.00 0.00 H ATOM 22 H LYS A 141 -0.633 17.380 46.286 1.00 0.00 H ATOM 23 N ILE A 142 1.086 13.933 44.340 1.00 35.25 N ATOM 24 CA ILE A 142 0.792 13.056 43.214 1.00 35.33 C ATOM 25 C ILE A 142 0.003 11.839 43.711 1.00 26.93 C ATOM 26 O ILE A 142 0.517 10.720 43.743 1.00 31.37 O ATOM 27 CB ILE A 142 2.088 12.643 42.488 1.00 42.56 C ATOM 28 CG1 ILE A 142 2.948 13.858 42.132 1.00 47.96 C ATOM 29 CG2 ILE A 142 1.771 11.797 41.264 1.00 44.38 C ATOM 30 CD1 ILE A 142 2.224 14.908 41.320 1.00 51.01 C ATOM 31 H ILE A 142 2.013 13.849 44.804 1.00 0.00 H ATOM 32 N THR A 143 -1.248 12.089 44.101 1.00 26.40 N ATOM 33 CA THR A 143 -2.207 11.043 44.407 1.00 27.39 C ATOM 34 C THR A 143 -2.725 10.454 43.092 1.00 29.05 C ATOM 35 O THR A 143 -2.489 11.011 42.020 1.00 25.60 O ATOM 36 CB THR A 143 -3.369 11.587 45.245 1.00 29.00 C ATOM 37 OG1 THR A 143 -4.065 12.542 44.443 1.00 31.53 O ATOM 38 CG2 THR A 143 -2.919 12.227 46.540 1.00 31.65 C ATOM 39 HG1 THR A 143 -4.824 12.913 44.958 1.00 0.00 H ATOM 40 H THR A 143 -1.551 13.080 44.190 1.00 0.00 H ATOM 41 N LEU A 144 -3.438 9.329 43.192 1.00 29.65 N ATOM 42 CA LEU A 144 -4.078 8.708 42.039 1.00 29.09 C ATOM 43 C LEU A 144 -5.001 9.727 41.355 1.00 28.04 C ATOM 44 O LEU A 144 -4.982 9.870 40.131 1.00 28.04 O ATOM 45 CB LEU A 144 -4.866 7.482 42.507 1.00 30.24 C ATOM 46 CG LEU A 144 -4.030 6.355 43.107 1.00 34.46 C ATOM 47 CD1 LEU A 144 -4.919 5.311 43.769 1.00 40.35 C ATOM 48 CD2 LEU A 144 -3.148 5.714 42.047 1.00 39.38 C ATOM 49 H LEU A 144 -3.540 8.881 44.125 1.00 0.00 H ATOM 50 N LEU A 145 -5.810 10.428 42.155 1.00 28.55 N ATOM 51 CA LEU A 145 -6.815 11.343 41.622 1.00 30.74 C ATOM 52 C LEU A 145 -6.131 12.529 40.929 1.00 29.63 C ATOM 53 O LEU A 145 -6.592 12.987 39.884 1.00 30.32 O ATOM 54 CB LEU A 145 -7.738 11.819 42.748 1.00 35.71 C ATOM 55 CG LEU A 145 -8.891 12.717 42.301 1.00 37.76 C ATOM 56 CD1 LEU A 145 -9.590 12.145 41.076 1.00 42.93 C ATOM 57 CD2 LEU A 145 -9.886 12.930 43.430 1.00 46.22 C ATOM 58 H LEU A 145 -5.721 10.319 43.185 1.00 0.00 H ATOM 59 N THR A 146 -5.037 13.025 41.517 1.00 27.94 N ATOM 60 CA THR A 146 -4.301 14.144 40.932 1.00 29.37 C ATOM 61 C THR A 146 -3.716 13.705 39.584 1.00 26.15 C ATOM 62 O THR A 146 -3.731 14.465 38.618 1.00 25.60 O ATOM 63 CB THR A 146 -3.217 14.670 41.880 1.00 29.93 C ATOM 64 OG1 THR A 146 -3.870 15.402 42.919 1.00 33.43 O ATOM 65 CG2 THR A 146 -2.210 15.561 41.187 1.00 29.99 C ATOM 66 HG1 THR A 146 -4.491 14.802 43.403 1.00 0.00 H ATOM 67 H THR A 146 -4.703 12.606 42.408 1.00 0.00 H ATOM 68 N LEU A 147 -3.218 12.466 39.536 1.00 25.31 N ATOM 69 CA LEU A 147 -2.678 11.883 38.315 1.00 24.37 C ATOM 70 C LEU A 147 -3.766 11.867 37.234 1.00 23.76 C ATOM 71 O LEU A 147 -3.524 12.252 36.091 1.00 24.21 O ATOM 72 CB LEU A 147 -2.176 10.467 38.614 1.00 27.32 C ATOM 73 CG LEU A 147 -1.255 9.860 37.558 1.00 40.13 C ATOM 74 CD1 LEU A 147 0.076 10.598 37.514 1.00 38.41 C ATOM 75 CD2 LEU A 147 -1.036 8.378 37.821 1.00 45.26 C ATOM 76 H LEU A 147 -3.216 11.895 40.405 1.00 0.00 H ATOM 77 N ILE A 148 -4.968 11.424 37.612 1.00 23.30 N ATOM 78 CA ILE A 148 -6.081 11.301 36.676 1.00 24.59 C ATOM 79 C ILE A 148 -6.491 12.692 36.179 1.00 25.39 C ATOM 80 O ILE A 148 -6.728 12.884 34.989 1.00 26.39 O ATOM 81 CB ILE A 148 -7.266 10.553 37.319 1.00 28.27 C ATOM 82 CG1 ILE A 148 -6.934 9.077 37.547 1.00 30.69 C ATOM 83 CG2 ILE A 148 -8.527 10.728 36.487 1.00 31.18 C ATOM 84 CD1 ILE A 148 -7.940 8.348 38.405 1.00 42.54 C ATOM 85 H ILE A 148 -5.116 11.158 38.606 1.00 0.00 H ATOM 86 N LYS A 149 -6.571 13.658 37.100 1.00 25.36 N ATOM 87 CA LYS A 149 -6.996 15.009 36.763 1.00 27.80 C ATOM 88 C LYS A 149 -5.967 15.645 35.821 1.00 25.72 C ATOM 89 O LYS A 149 -6.332 16.357 34.888 1.00 27.22 O ATOM 90 CB LYS A 149 -7.204 15.839 38.033 1.00 30.66 C ATOM 91 CG LYS A 149 -8.483 15.524 38.797 1.00 35.65 C ATOM 92 CD LYS A 149 -8.718 16.428 39.990 1.00 44.17 C ATOM 93 CE LYS A 149 -10.010 16.122 40.719 1.00 59.15 C ATOM 94 NZ LYS A 149 -11.188 16.267 39.831 1.00 63.32 N ATOM 95 HZ1 LYS A 149 -11.235 17.243 39.476 1.00 0.00 H ATOM 96 HZ2 LYS A 149 -11.100 15.610 39.030 1.00 0.00 H ATOM 97 HZ3 LYS A 149 -12.053 16.049 40.366 1.00 0.00 H ATOM 98 H LYS A 149 -6.322 13.438 38.086 1.00 0.00 H ATOM 99 N THR A 150 -4.684 15.369 36.070 1.00 23.66 N ATOM 100 CA THR A 150 -3.598 15.880 35.244 1.00 23.98 C ATOM 101 C THR A 150 -3.715 15.286 33.836 1.00 23.02 C ATOM 102 O THR A 150 -3.651 16.010 32.842 1.00 23.41 O ATOM 103 CB THR A 150 -2.236 15.588 35.884 1.00 24.69 C ATOM 104 OG1 THR A 150 -2.236 16.189 37.180 1.00 26.40 O ATOM 105 CG2 THR A 150 -1.074 16.118 35.073 1.00 23.76 C ATOM 106 HG1 THR A 150 -2.966 15.799 37.723 1.00 0.00 H ATOM 107 H THR A 150 -4.451 14.766 36.885 1.00 0.00 H ATOM 108 N ALA A 151 -3.904 13.963 33.773 1.00 23.89 N ATOM 109 CA ALA A 151 -4.071 13.241 32.510 1.00 22.02 C ATOM 110 C ALA A 151 -5.273 13.795 31.735 1.00 23.61 C ATOM 111 O ALA A 151 -5.192 13.999 30.525 1.00 24.79 O ATOM 112 CB ALA A 151 -4.227 11.766 32.779 1.00 22.20 C ATOM 113 H ALA A 151 -3.934 13.423 34.661 1.00 0.00 H ATOM 114 N GLU A 152 -6.384 14.027 32.441 1.00 25.33 N ATOM 115 CA GLU A 152 -7.616 14.517 31.828 1.00 24.95 C ATOM 116 C GLU A 152 -7.369 15.898 31.213 1.00 25.96 C ATOM 117 O GLU A 152 -7.841 16.185 30.118 1.00 27.26 O ATOM 118 CB GLU A 152 -8.748 14.601 32.855 1.00 29.99 C ATOM 119 CG GLU A 152 -9.361 13.258 33.202 1.00 33.93 C ATOM 120 CD GLU A 152 -10.468 13.331 34.240 1.00 41.94 C ATOM 121 OE1 GLU A 152 -10.482 14.304 35.020 1.00 45.06 O ATOM 122 OE2 GLU A 152 -11.312 12.417 34.266 1.00 40.22 O ATOM 123 H GLU A 152 -6.371 13.852 33.466 1.00 0.00 H ATOM 124 N HIS A 153 -6.638 16.748 31.940 1.00 23.83 N ATOM 125 CA HIS A 153 -6.352 18.099 31.483 1.00 25.59 C ATOM 126 C HIS A 153 -5.552 18.045 30.175 1.00 25.66 C ATOM 127 O HIS A 153 -5.894 18.707 29.195 1.00 26.99 O ATOM 128 CB HIS A 153 -5.606 18.901 32.555 1.00 25.52 C ATOM 129 CG HIS A 153 -5.119 20.218 32.050 1.00 30.59 C ATOM 130 ND1 HIS A 153 -5.936 21.330 31.988 1.00 33.88 N ATOM 131 CD2 HIS A 153 -3.924 20.595 31.546 1.00 31.88 C ATOM 132 CE1 HIS A 153 -5.258 22.343 31.485 1.00 33.63 C ATOM 133 NE2 HIS A 153 -4.020 21.919 31.205 1.00 32.35 N ATOM 134 H HIS A 153 -6.263 16.435 32.858 1.00 0.00 H ATOM 135 N TRP A 154 -4.487 17.239 30.171 1.00 23.15 N ATOM 136 CA TRP A 154 -3.556 17.213 29.058 1.00 24.06 C ATOM 137 C TRP A 154 -4.137 16.425 27.880 1.00 22.99 C ATOM 138 O TRP A 154 -3.804 16.707 26.729 1.00 21.93 O ATOM 139 CB TRP A 154 -2.190 16.691 29.512 1.00 24.33 C ATOM 140 CG TRP A 154 -1.442 17.761 30.239 1.00 24.46 C ATOM 141 CD1 TRP A 154 -1.282 17.890 31.588 1.00 24.50 C ATOM 142 CD2 TRP A 154 -0.840 18.925 29.649 1.00 25.76 C ATOM 143 NE1 TRP A 154 -0.586 19.034 31.874 1.00 28.98 N ATOM 144 CE2 TRP A 154 -0.302 19.689 30.705 1.00 27.62 C ATOM 145 CE3 TRP A 154 -0.689 19.384 28.336 1.00 28.82 C ATOM 146 CZ2 TRP A 154 0.383 20.883 30.482 1.00 28.99 C ATOM 147 CZ3 TRP A 154 -0.015 20.564 28.117 1.00 30.66 C ATOM 148 CH2 TRP A 154 0.512 21.302 29.178 1.00 30.95 C ATOM 149 HE1 TRP A 154 -0.316 19.354 32.826 1.00 0.00 H ATOM 150 H TRP A 154 -4.321 16.614 30.986 1.00 0.00 H ATOM 151 N ALA A 155 -5.029 15.472 28.170 1.00 22.99 N ATOM 152 CA ALA A 155 -5.730 14.741 27.121 1.00 22.44 C ATOM 153 C ALA A 155 -6.544 15.724 26.271 1.00 21.56 C ATOM 154 O ALA A 155 -6.748 15.505 25.085 1.00 22.73 O ATOM 155 CB ALA A 155 -6.613 13.672 27.718 1.00 23.08 C ATOM 156 H ALA A 155 -5.227 15.247 29.166 1.00 0.00 H ATOM 157 N ARG A 156 -6.995 16.816 26.895 1.00 24.23 N ATOM 158 CA ARG A 156 -7.883 17.772 26.245 1.00 24.53 C ATOM 159 C ARG A 156 -7.065 18.850 25.525 1.00 25.49 C ATOM 160 O ARG A 156 -7.623 19.657 24.790 1.00 27.49 O ATOM 161 CB ARG A 156 -8.841 18.391 27.267 1.00 25.92 C ATOM 162 CG ARG A 156 -9.987 17.472 27.670 1.00 28.59 C ATOM 163 CD ARG A 156 -10.839 18.061 28.778 1.00 31.69 C ATOM 164 NE ARG A 156 -11.300 19.404 28.459 1.00 30.07 N ATOM 165 CZ ARG A 156 -12.275 19.681 27.600 1.00 29.82 C ATOM 166 NH1 ARG A 156 -12.892 18.703 26.959 1.00 29.20 N ATOM 167 NH2 ARG A 156 -12.620 20.936 27.378 1.00 30.13 N ATOM 168 HE ARG A 156 -10.834 20.202 28.936 1.00 0.00 H ATOM 169 HH12 ARG A 156 -13.655 18.922 26.287 1.00 0.00 H ATOM 170 HH11 ARG A 156 -12.614 17.715 27.127 1.00 0.00 H ATOM 171 HH22 ARG A 156 -13.383 21.154 26.706 1.00 0.00 H ATOM 172 HH21 ARG A 156 -12.129 21.706 27.875 1.00 0.00 H ATOM 173 H ARG A 156 -6.703 16.990 27.878 1.00 0.00 H ATOM 174 N GLN A 157 -5.745 18.856 25.741 1.00 25.61 N ATOM 175 CA GLN A 157 -4.860 19.812 25.080 1.00 26.50 C ATOM 176 C GLN A 157 -4.418 19.244 23.727 1.00 24.79 C ATOM 177 O GLN A 157 -4.306 18.034 23.564 1.00 24.56 O ATOM 178 CB GLN A 157 -3.620 20.109 25.927 1.00 26.15 C ATOM 179 CG GLN A 157 -3.931 20.646 27.315 1.00 29.14 C ATOM 180 CD GLN A 157 -4.854 21.838 27.274 1.00 41.88 C ATOM 181 OE1 GLN A 157 -4.598 22.819 26.579 1.00 42.54 O ATOM 182 NE2 GLN A 157 -5.939 21.759 28.029 1.00 50.71 N ATOM 183 HE22 GLN A 157 -6.114 20.908 28.601 1.00 0.00 H ATOM 184 HE21 GLN A 157 -6.616 22.548 28.050 1.00 0.00 H ATOM 185 H GLN A 157 -5.337 18.161 26.398 1.00 0.00 H ATOM 186 N ASP A 158 -4.168 20.144 22.772 1.00 23.37 N ATOM 187 CA ASP A 158 -3.488 19.827 21.526 1.00 23.58 C ATOM 188 C ASP A 158 -2.003 20.138 21.736 1.00 24.87 C ATOM 189 O ASP A 158 -1.620 21.301 21.758 1.00 27.77 O ATOM 190 CB ASP A 158 -4.080 20.625 20.361 1.00 24.76 C ATOM 191 CG ASP A 158 -3.505 20.275 18.999 1.00 24.13 C ATOM 192 OD1 ASP A 158 -2.396 19.703 18.954 1.00 25.38 O ATOM 193 OD2 ASP A 158 -4.172 20.576 17.989 1.00 25.93 O ATOM 194 H ASP A 158 -4.476 21.125 22.928 1.00 0.00 H ATOM 195 N ILE A 159 -1.185 19.099 21.933 1.00 23.85 N ATOM 196 CA ILE A 159 0.186 19.293 22.427 1.00 23.18 C ATOM 197 C ILE A 159 1.177 19.395 21.261 1.00 26.26 C ATOM 198 O ILE A 159 2.387 19.331 21.472 1.00 26.72 O ATOM 199 CB ILE A 159 0.588 18.169 23.403 1.00 22.48 C ATOM 200 CG1 ILE A 159 0.763 16.826 22.692 1.00 23.91 C ATOM 201 CG2 ILE A 159 -0.400 18.079 24.557 1.00 23.71 C ATOM 202 CD1 ILE A 159 1.339 15.737 23.567 1.00 23.95 C ATOM 203 H ILE A 159 -1.525 18.137 21.733 1.00 0.00 H ATOM 204 N ARG A 160 0.675 19.576 20.039 1.00 24.52 N ATOM 205 CA ARG A 160 1.535 19.518 18.858 1.00 26.71 C ATOM 206 C ARG A 160 2.561 20.662 18.865 1.00 26.79 C ATOM 207 O ARG A 160 3.595 20.551 18.205 1.00 29.37 O ATOM 208 CB ARG A 160 0.691 19.503 17.581 1.00 26.41 C ATOM 209 CG ARG A 160 0.068 18.146 17.289 1.00 26.36 C ATOM 210 CD ARG A 160 -0.753 18.133 16.018 1.00 28.46 C ATOM 211 NE ARG A 160 -1.932 18.977 16.135 1.00 28.95 N ATOM 212 CZ ARG A 160 -2.627 19.440 15.104 1.00 28.92 C ATOM 213 NH1 ARG A 160 -2.251 19.146 13.870 1.00 28.75 N ATOM 214 NH2 ARG A 160 -3.688 20.199 15.312 1.00 27.81 N ATOM 215 HE ARG A 160 -2.251 19.235 17.091 1.00 0.00 H ATOM 216 HH12 ARG A 160 -2.795 19.508 13.061 1.00 0.00 H ATOM 217 HH11 ARG A 160 -1.412 18.553 13.709 1.00 0.00 H ATOM 218 HH22 ARG A 160 -4.234 20.563 14.505 1.00 0.00 H ATOM 219 HH21 ARG A 160 -3.978 20.433 16.283 1.00 0.00 H ATOM 220 H ARG A 160 -0.342 19.761 19.924 1.00 0.00 H ATOM 221 N THR A 161 2.297 21.744 19.608 1.00 28.99 N ATOM 222 CA THR A 161 3.225 22.887 19.644 1.00 31.58 C ATOM 223 C THR A 161 3.791 23.089 21.056 1.00 34.34 C ATOM 224 O THR A 161 4.328 24.150 21.364 1.00 36.78 O ATOM 225 CB THR A 161 2.558 24.172 19.132 1.00 36.80 C ATOM 226 OG1 THR A 161 1.510 24.544 20.028 1.00 37.97 O ATOM 227 CG2 THR A 161 2.002 24.028 17.733 1.00 40.48 C ATOM 228 HG1 THR A 161 0.841 23.816 20.072 1.00 0.00 H ATOM 229 H THR A 161 1.422 21.778 20.169 1.00 0.00 H ATOM 230 N ILE A 162 3.697 22.052 21.895 1.00 30.48 N ATOM 231 CA ILE A 162 4.104 22.124 23.300 1.00 28.47 C ATOM 232 C ILE A 162 5.626 22.301 23.392 1.00 25.57 C ATOM 233 O ILE A 162 6.367 21.821 22.542 1.00 30.35 O ATOM 234 CB ILE A 162 3.648 20.858 24.052 1.00 30.79 C ATOM 235 CG1 ILE A 162 3.729 21.035 25.570 1.00 37.90 C ATOM 236 CG2 ILE A 162 4.434 19.644 23.583 1.00 33.48 C ATOM 237 CD1 ILE A 162 3.326 19.801 26.347 1.00 41.54 C ATOM 238 H ILE A 162 3.318 21.154 21.533 1.00 0.00 H ATOM 239 N GLU A 163 6.072 22.966 24.462 1.00 28.00 N ATOM 240 CA GLU A 163 7.496 23.099 24.783 1.00 32.23 C ATOM 241 C GLU A 163 8.066 21.716 25.120 1.00 31.49 C ATOM 242 O GLU A 163 7.400 20.911 25.771 1.00 28.22 O ATOM 243 CB GLU A 163 7.690 24.050 25.965 1.00 42.48 C ATOM 244 CG GLU A 163 6.959 25.371 25.811 1.00 61.35 C ATOM 245 CD GLU A 163 6.757 26.128 27.112 1.00 74.35 C ATOM 246 OE1 GLU A 163 7.267 25.661 28.150 1.00 83.08 O ATOM 247 OE2 GLU A 163 6.087 27.180 27.085 1.00 93.09 O ATOM 248 H GLU A 163 5.377 23.409 25.096 1.00 0.00 H ATOM 249 N ASP A 164 9.303 21.458 24.685 1.00 27.99 N ATOM 250 CA ASP A 164 9.936 20.148 24.845 1.00 28.45 C ATOM 251 C ASP A 164 9.985 19.760 26.328 1.00 28.86 C ATOM 252 O ASP A 164 9.854 18.587 26.664 1.00 28.30 O ATOM 253 CB ASP A 164 11.331 20.123 24.219 1.00 32.60 C ATOM 254 CG ASP A 164 11.301 20.047 22.703 1.00 38.61 C ATOM 255 OD1 ASP A 164 10.762 19.048 22.176 1.00 35.18 O ATOM 256 OD2 ASP A 164 11.792 20.995 22.064 1.00 41.17 O ATOM 257 H ASP A 164 9.836 22.217 24.215 1.00 0.00 H ATOM 258 N SER A 165 10.188 20.747 27.204 1.00 31.61 N ATOM 259 CA SER A 165 10.299 20.498 28.641 1.00 32.17 C ATOM 260 C SER A 165 8.984 19.919 29.179 1.00 32.51 C ATOM 261 O SER A 165 8.992 19.034 30.034 1.00 30.92 O ATOM 262 CB SER A 165 10.693 21.749 29.381 1.00 36.99 C ATOM 263 OG SER A 165 9.728 22.771 29.193 1.00 43.42 O ATOM 264 HG SER A 165 10.007 23.582 29.687 1.00 0.00 H ATOM 265 H SER A 165 10.270 21.723 26.854 1.00 0.00 H ATOM 266 N LYS A 166 7.857 20.434 28.676 1.00 31.53 N ATOM 267 CA LYS A 166 6.534 19.972 29.093 1.00 30.66 C ATOM 268 C LYS A 166 6.254 18.596 28.479 1.00 28.07 C ATOM 269 O LYS A 166 5.664 17.725 29.126 1.00 26.21 O ATOM 270 CB LYS A 166 5.452 20.982 28.698 1.00 31.97 C ATOM 271 CG LYS A 166 5.133 22.030 29.756 1.00 43.80 C ATOM 272 CD LYS A 166 3.928 22.881 29.421 1.00 52.63 C ATOM 273 CE LYS A 166 3.299 23.525 30.638 1.00 57.77 C ATOM 274 NZ LYS A 166 4.288 24.305 31.419 1.00 62.21 N ATOM 275 HZ1 LYS A 166 5.050 23.674 31.739 1.00 0.00 H ATOM 276 HZ2 LYS A 166 4.686 25.056 30.820 1.00 0.00 H ATOM 277 HZ3 LYS A 166 3.819 24.730 32.244 1.00 0.00 H ATOM 278 H LYS A 166 7.924 21.189 27.964 1.00 0.00 H ATOM 279 N LEU A 167 6.691 18.401 27.230 1.00 23.19 N ATOM 280 CA LEU A 167 6.534 17.116 26.559 1.00 24.62 C ATOM 281 C LEU A 167 7.295 16.035 27.335 1.00 24.96 C ATOM 282 O LEU A 167 6.828 14.905 27.457 1.00 22.07 O ATOM 283 CB LEU A 167 7.041 17.210 25.118 1.00 23.72 C ATOM 284 CG LEU A 167 6.758 15.985 24.251 1.00 23.48 C ATOM 285 CD1 LEU A 167 5.260 15.745 24.128 1.00 22.49 C ATOM 286 CD2 LEU A 167 7.385 16.135 22.872 1.00 25.59 C ATOM 287 H LEU A 167 7.154 19.184 26.726 1.00 0.00 H ATOM 288 N ARG A 168 8.479 16.388 27.846 1.00 24.64 N ATOM 289 CA ARG A 168 9.294 15.451 28.611 1.00 24.16 C ATOM 290 C ARG A 168 8.518 14.996 29.854 1.00 22.88 C ATOM 291 O ARG A 168 8.511 13.816 30.190 1.00 21.89 O ATOM 292 CB ARG A 168 10.631 16.088 29.005 1.00 25.37 C ATOM 293 CG ARG A 168 11.527 15.178 29.834 1.00 25.01 C ATOM 294 CD ARG A 168 12.018 13.981 29.045 1.00 26.05 C ATOM 295 NE ARG A 168 12.783 13.041 29.852 1.00 26.07 N ATOM 296 CZ ARG A 168 12.253 12.035 30.541 1.00 25.80 C ATOM 297 NH1 ARG A 168 10.937 11.907 30.622 1.00 24.77 N ATOM 298 NH2 ARG A 168 13.041 11.154 31.131 1.00 27.26 N ATOM 299 HE ARG A 168 13.815 13.165 29.892 1.00 0.00 H ATOM 300 HH12 ARG A 168 10.523 11.120 31.161 1.00 0.00 H ATOM 301 HH11 ARG A 168 10.317 12.594 30.146 1.00 0.00 H ATOM 302 HH22 ARG A 168 12.628 10.366 31.670 1.00 0.00 H ATOM 303 HH21 ARG A 168 14.074 11.248 31.056 1.00 0.00 H ATOM 304 H ARG A 168 8.828 17.356 27.694 1.00 0.00 H ATOM 305 N ALA A 169 7.865 15.950 30.524 1.00 22.36 N ATOM 306 CA ALA A 169 7.083 15.678 31.723 1.00 25.66 C ATOM 307 C ALA A 169 5.869 14.809 31.366 1.00 22.98 C ATOM 308 O ALA A 169 5.471 13.939 32.140 1.00 23.45 O ATOM 309 CB ALA A 169 6.668 16.975 32.372 1.00 26.21 C ATOM 310 H ALA A 169 7.917 16.928 30.175 1.00 0.00 H ATOM 311 N LEU A 170 5.283 15.045 30.188 1.00 22.10 N ATOM 312 CA LEU A 170 4.127 14.267 29.752 1.00 22.22 C ATOM 313 C LEU A 170 4.541 12.809 29.523 1.00 22.25 C ATOM 314 O LEU A 170 3.757 11.896 29.768 1.00 21.75 O ATOM 315 CB LEU A 170 3.523 14.877 28.484 1.00 22.11 C ATOM 316 CG LEU A 170 2.605 16.075 28.712 1.00 24.88 C ATOM 317 CD1 LEU A 170 2.146 16.665 27.388 1.00 25.22 C ATOM 318 CD2 LEU A 170 1.409 15.690 29.571 1.00 27.67 C ATOM 319 H LEU A 170 5.657 15.795 29.572 1.00 0.00 H ATOM 320 N LEU A 171 5.771 12.584 29.048 1.00 21.41 N ATOM 321 CA LEU A 171 6.248 11.214 28.888 1.00 18.57 C ATOM 322 C LEU A 171 6.314 10.542 30.267 1.00 20.65 C ATOM 323 O LEU A 171 5.961 9.376 30.405 1.00 20.58 O ATOM 324 CB LEU A 171 7.614 11.183 28.196 1.00 21.16 C ATOM 325 CG LEU A 171 8.185 9.780 27.999 1.00 23.15 C ATOM 326 CD1 LEU A 171 7.265 8.935 27.131 1.00 23.91 C ATOM 327 CD2 LEU A 171 9.585 9.827 27.408 1.00 22.25 C ATOM 328 H LEU A 171 6.386 13.383 28.793 1.00 0.00 H ATOM 329 N THR A 172 6.793 11.283 31.272 1.00 20.28 N ATOM 330 CA THR A 172 6.822 10.801 32.655 1.00 20.92 C ATOM 331 C THR A 172 5.398 10.449 33.107 1.00 21.18 C ATOM 332 O THR A 172 5.179 9.394 33.701 1.00 23.71 O ATOM 333 CB THR A 172 7.490 11.819 33.586 1.00 24.16 C ATOM 334 OG1 THR A 172 8.827 12.006 33.121 1.00 24.47 O ATOM 335 CG2 THR A 172 7.505 11.371 35.032 1.00 23.50 C ATOM 336 HG1 THR A 172 9.308 11.141 33.148 1.00 0.00 H ATOM 337 H THR A 172 7.158 12.235 31.064 1.00 0.00 H ATOM 338 N LEU A 173 4.439 11.332 32.811 1.00 20.79 N ATOM 339 CA LEU A 173 3.033 11.112 33.165 1.00 22.30 C ATOM 340 C LEU A 173 2.535 9.804 32.534 1.00 24.24 C ATOM 341 O LEU A 173 1.898 8.986 33.196 1.00 21.54 O ATOM 342 CB LEU A 173 2.198 12.307 32.697 1.00 21.29 C ATOM 343 CG LEU A 173 0.696 12.200 32.958 1.00 25.51 C ATOM 344 CD1 LEU A 173 0.410 12.156 34.448 1.00 26.36 C ATOM 345 CD2 LEU A 173 -0.054 13.351 32.305 1.00 28.61 C ATOM 346 H LEU A 173 4.699 12.206 32.312 1.00 0.00 H ATOM 347 N CYS A 174 2.831 9.607 31.247 1.00 22.91 N ATOM 348 CA CYS A 174 2.371 8.423 30.538 1.00 21.45 C ATOM 349 C CYS A 174 2.992 7.161 31.152 1.00 19.79 C ATOM 350 O CYS A 174 2.328 6.140 31.279 1.00 21.68 O ATOM 351 CB CYS A 174 2.680 8.525 29.052 1.00 21.97 C ATOM 352 SG CYS A 174 1.715 9.820 28.231 1.00 27.33 S ATOM 353 H CYS A 174 3.402 10.314 30.741 1.00 0.00 H ATOM 354 N ALA A 175 4.269 7.245 31.537 1.00 19.08 N ATOM 355 CA ALA A 175 4.973 6.120 32.132 1.00 21.11 C ATOM 356 C ALA A 175 4.343 5.767 33.486 1.00 19.10 C ATOM 357 O ALA A 175 4.089 4.601 33.775 1.00 20.29 O ATOM 358 CB ALA A 175 6.438 6.445 32.269 1.00 20.44 C ATOM 359 H ALA A 175 4.776 8.144 31.407 1.00 0.00 H ATOM 360 N VAL A 176 4.090 6.787 34.308 1.00 19.67 N ATOM 361 CA VAL A 176 3.501 6.585 35.628 1.00 20.94 C ATOM 362 C VAL A 176 2.102 5.975 35.462 1.00 23.57 C ATOM 363 O VAL A 176 1.734 5.037 36.175 1.00 22.78 O ATOM 364 CB VAL A 176 3.459 7.898 36.431 1.00 23.43 C ATOM 365 CG1 VAL A 176 2.601 7.765 37.680 1.00 25.17 C ATOM 366 CG2 VAL A 176 4.855 8.378 36.792 1.00 22.83 C ATOM 367 H VAL A 176 4.319 7.753 33.999 1.00 0.00 H ATOM 368 N MET A 177 1.330 6.506 34.509 1.00 21.35 N ATOM 369 CA MET A 177 -0.040 6.051 34.280 1.00 19.37 C ATOM 370 C MET A 177 -0.035 4.603 33.769 1.00 21.67 C ATOM 371 O MET A 177 -0.907 3.811 34.131 1.00 22.70 O ATOM 372 CB MET A 177 -0.765 6.949 33.274 1.00 22.16 C ATOM 373 CG MET A 177 -1.079 8.326 33.824 1.00 30.59 C ATOM 374 SD MET A 177 -2.054 9.324 32.679 1.00 64.54 S ATOM 375 CE MET A 177 -3.517 8.300 32.516 1.00 59.69 C ATOM 376 H MET A 177 1.716 7.266 33.913 1.00 0.00 H ATOM 377 N THR A 178 0.944 4.268 32.921 1.00 19.71 N ATOM 378 CA THR A 178 1.057 2.918 32.366 1.00 19.55 C ATOM 379 C THR A 178 1.197 1.909 33.513 1.00 21.83 C ATOM 380 O THR A 178 0.640 0.813 33.461 1.00 22.49 O ATOM 381 CB THR A 178 2.229 2.801 31.383 1.00 21.77 C ATOM 382 OG1 THR A 178 1.927 3.576 30.223 1.00 20.96 O ATOM 383 CG2 THR A 178 2.498 1.374 30.959 1.00 21.30 C ATOM 384 HG1 THR A 178 1.798 4.522 30.484 1.00 0.00 H ATOM 385 H THR A 178 1.644 4.987 32.648 1.00 0.00 H ATOM 386 N ARG A 179 1.933 2.305 34.555 1.00 20.25 N ATOM 387 CA ARG A 179 2.253 1.416 35.668 1.00 21.59 C ATOM 388 C ARG A 179 1.039 1.267 36.596 1.00 24.29 C ATOM 389 O ARG A 179 1.095 0.504 37.554 1.00 26.59 O ATOM 390 CB ARG A 179 3.489 1.927 36.413 1.00 21.01 C ATOM 391 CG ARG A 179 4.793 1.696 35.662 1.00 22.96 C ATOM 392 CD ARG A 179 6.027 2.005 36.489 1.00 22.54 C ATOM 393 NE ARG A 179 6.186 3.431 36.734 1.00 23.27 N ATOM 394 CZ ARG A 179 6.898 4.252 35.969 1.00 25.39 C ATOM 395 NH1 ARG A 179 7.438 3.809 34.847 1.00 22.63 N ATOM 396 NH2 ARG A 179 7.069 5.512 36.328 1.00 24.85 N ATOM 397 HE ARG A 179 5.709 3.835 37.565 1.00 0.00 H ATOM 398 HH12 ARG A 179 7.995 4.452 34.249 1.00 0.00 H ATOM 399 HH11 ARG A 179 7.306 2.817 34.562 1.00 0.00 H ATOM 400 HH22 ARG A 179 7.627 6.153 35.728 1.00 0.00 H ATOM 401 HH21 ARG A 179 6.646 5.863 37.211 1.00 0.00 H ATOM 402 H ARG A 179 2.291 3.281 34.574 1.00 0.00 H ATOM 403 N LYS A 180 -0.052 1.983 36.298 1.00 21.71 N ATOM 404 CA LYS A 180 -1.312 1.840 37.045 1.00 22.06 C ATOM 405 C LYS A 180 -2.158 0.720 36.430 1.00 25.62 C ATOM 406 O LYS A 180 -3.216 0.378 36.956 1.00 26.92 O ATOM 407 CB LYS A 180 -2.120 3.140 37.054 1.00 23.41 C ATOM 408 CG LYS A 180 -1.417 4.340 37.670 1.00 22.22 C ATOM 409 CD LYS A 180 -0.732 4.044 38.990 1.00 23.01 C ATOM 410 CE LYS A 180 -0.083 5.278 39.584 1.00 25.10 C ATOM 411 NZ LYS A 180 0.918 4.932 40.619 1.00 27.30 N ATOM 412 HZ1 LYS A 180 0.454 4.406 41.387 1.00 0.00 H ATOM 413 HZ2 LYS A 180 1.663 4.343 40.196 1.00 0.00 H ATOM 414 HZ3 LYS A 180 1.338 5.804 40.999 1.00 0.00 H ATOM 415 H LYS A 180 -0.008 2.663 35.512 1.00 0.00 H ATOM 416 N PHE A 181 -1.696 0.176 35.301 1.00 23.20 N ATOM 417 CA PHE A 181 -2.336 -0.967 34.658 1.00 24.05 C ATOM 418 C PHE A 181 -1.670 -2.263 35.129 1.00 23.55 C ATOM 419 O PHE A 181 -0.454 -2.324 35.296 1.00 24.38 O ATOM 420 CB PHE A 181 -2.250 -0.844 33.135 1.00 23.75 C ATOM 421 CG PHE A 181 -3.167 0.198 32.549 1.00 24.16 C ATOM 422 CD1 PHE A 181 -2.784 1.529 32.491 1.00 24.50 C ATOM 423 CD2 PHE A 181 -4.420 -0.148 32.071 1.00 27.20 C ATOM 424 CE1 PHE A 181 -3.632 2.489 31.961 1.00 28.71 C ATOM 425 CE2 PHE A 181 -5.267 0.813 31.543 1.00 26.64 C ATOM 426 CZ PHE A 181 -4.873 2.130 31.491 1.00 29.93 C ATOM 427 H PHE A 181 -0.846 0.584 34.862 1.00 0.00 H ATOM 428 N SER A 182 -2.482 -3.305 35.337 1.00 24.46 N ATOM 429 CA SER A 182 -1.953 -4.642 35.516 1.00 27.31 C ATOM 430 C SER A 182 -1.170 -5.030 34.258 1.00 28.40 C ATOM 431 O SER A 182 -1.502 -4.601 33.152 1.00 27.80 O ATOM 432 CB SER A 182 -3.046 -5.637 35.811 1.00 31.93 C ATOM 433 OG SER A 182 -3.877 -5.827 34.677 1.00 41.28 O ATOM 434 HG SER A 182 -3.332 -6.166 33.923 1.00 0.00 H ATOM 435 H SER A 182 -3.510 -3.153 35.371 1.00 0.00 H ATOM 436 N LYS A 183 -0.118 -5.828 34.445 1.00 29.69 N ATOM 437 CA LYS A 183 0.714 -6.288 33.346 1.00 35.03 C ATOM 438 C LYS A 183 -0.176 -6.961 32.293 1.00 32.44 C ATOM 439 O LYS A 183 0.095 -6.885 31.097 1.00 30.30 O ATOM 440 CB LYS A 183 1.792 -7.243 33.868 1.00 38.44 C ATOM 441 CG LYS A 183 2.907 -7.562 32.883 1.00 51.49 C ATOM 442 CD LYS A 183 4.062 -8.319 33.504 1.00 60.54 C ATOM 443 CE LYS A 183 5.184 -8.591 32.525 1.00 70.80 C ATOM 444 NZ LYS A 183 6.297 -9.338 33.158 1.00 76.90 N ATOM 445 HZ1 LYS A 183 6.680 -8.782 33.949 1.00 0.00 H ATOM 446 HZ2 LYS A 183 5.944 -10.250 33.512 1.00 0.00 H ATOM 447 HZ3 LYS A 183 7.045 -9.504 32.455 1.00 0.00 H ATOM 448 H LYS A 183 0.115 -6.132 35.412 1.00 0.00 H ATOM 449 N SER A 184 -1.253 -7.601 32.761 1.00 32.51 N ATOM 450 CA SER A 184 -2.140 -8.397 31.916 1.00 37.85 C ATOM 451 C SER A 184 -2.892 -7.504 30.920 1.00 34.10 C ATOM 452 O SER A 184 -3.456 -7.999 29.947 1.00 33.34 O ATOM 453 CB SER A 184 -3.101 -9.204 32.757 1.00 39.94 C ATOM 454 OG SER A 184 -4.029 -8.361 33.427 1.00 41.02 O ATOM 455 HG SER A 184 -3.539 -7.736 34.018 1.00 0.00 H ATOM 456 H SER A 184 -1.470 -7.529 33.776 1.00 0.00 H ATOM 457 N GLN A 185 -2.891 -6.189 31.170 1.00 26.12 N ATOM 458 CA GLN A 185 -3.686 -5.240 30.392 1.00 25.40 C ATOM 459 C GLN A 185 -2.842 -4.572 29.297 1.00 26.11 C ATOM 460 O GLN A 185 -3.370 -3.818 28.488 1.00 27.34 O ATOM 461 CB GLN A 185 -4.275 -4.163 31.306 1.00 27.26 C ATOM 462 CG GLN A 185 -5.540 -4.589 32.035 1.00 35.97 C ATOM 463 CD GLN A 185 -6.651 -4.971 31.087 1.00 33.80 C ATOM 464 OE1 GLN A 185 -6.660 -6.061 30.524 1.00 36.74 O ATOM 465 NE2 GLN A 185 -7.605 -4.071 30.906 1.00 31.17 N ATOM 466 HE22 GLN A 185 -7.560 -3.158 31.403 1.00 0.00 H ATOM 467 HE21 GLN A 185 -8.399 -4.277 30.267 1.00 0.00 H ATOM 468 H GLN A 185 -2.302 -5.828 31.948 1.00 0.00 H ATOM 469 N LEU A 186 -1.532 -4.837 29.277 1.00 25.05 N ATOM 470 CA LEU A 186 -0.634 -4.123 28.372 1.00 25.53 C ATOM 471 C LEU A 186 -0.943 -4.496 26.915 1.00 25.24 C ATOM 472 O LEU A 186 -0.834 -3.657 26.025 1.00 24.26 O ATOM 473 CB LEU A 186 0.820 -4.432 28.743 1.00 26.33 C ATOM 474 CG LEU A 186 1.269 -3.889 30.100 1.00 28.55 C ATOM 475 CD1 LEU A 186 2.735 -4.200 30.352 1.00 31.32 C ATOM 476 CD2 LEU A 186 1.013 -2.393 30.201 1.00 29.09 C ATOM 477 H LEU A 186 -1.146 -5.562 29.915 1.00 0.00 H ATOM 478 N SER A 187 -1.337 -5.753 26.681 1.00 27.52 N ATOM 479 CA SER A 187 -1.698 -6.221 25.341 1.00 29.48 C ATOM 480 C SER A 187 -2.897 -5.426 24.812 1.00 25.49 C ATOM 481 O SER A 187 -2.920 -5.012 23.652 1.00 26.21 O ATOM 482 CB SER A 187 -1.982 -7.703 25.335 1.00 34.57 C ATOM 483 OG SER A 187 -0.782 -8.446 25.476 1.00 52.03 O ATOM 484 HG SER A 187 -0.346 -8.207 26.332 1.00 0.00 H ATOM 485 H SER A 187 -1.389 -6.420 27.477 1.00 0.00 H ATOM 486 N LEU A 188 -3.895 -5.220 25.673 1.00 26.50 N ATOM 487 CA LEU A 188 -5.099 -4.490 25.303 1.00 27.54 C ATOM 488 C LEU A 188 -4.754 -3.011 25.087 1.00 25.35 C ATOM 489 O LEU A 188 -5.274 -2.374 24.174 1.00 27.44 O ATOM 490 CB LEU A 188 -6.155 -4.660 26.399 1.00 30.02 C ATOM 491 CG LEU A 188 -7.461 -3.897 26.175 1.00 34.65 C ATOM 492 CD1 LEU A 188 -8.125 -4.318 24.874 1.00 35.82 C ATOM 493 CD2 LEU A 188 -8.412 -4.093 27.346 1.00 39.66 C ATOM 494 H LEU A 188 -3.810 -5.593 26.640 1.00 0.00 H ATOM 495 N LEU A 189 -3.869 -2.474 25.932 1.00 24.94 N ATOM 496 CA LEU A 189 -3.420 -1.097 25.792 1.00 25.53 C ATOM 497 C LEU A 189 -2.797 -0.915 24.403 1.00 24.12 C ATOM 498 O LEU A 189 -3.122 0.027 23.681 1.00 23.48 O ATOM 499 CB LEU A 189 -2.418 -0.780 26.907 1.00 24.23 C ATOM 500 CG LEU A 189 -1.940 0.669 26.977 1.00 27.51 C ATOM 501 CD1 LEU A 189 -3.115 1.635 27.019 1.00 30.14 C ATOM 502 CD2 LEU A 189 -1.042 0.870 28.188 1.00 30.37 C ATOM 503 H LEU A 189 -3.492 -3.054 26.708 1.00 0.00 H ATOM 504 N CYS A 190 -1.913 -1.847 24.033 1.00 22.33 N ATOM 505 CA CYS A 190 -1.260 -1.845 22.732 1.00 22.85 C ATOM 506 C CYS A 190 -2.307 -1.902 21.610 1.00 24.30 C ATOM 507 O CYS A 190 -2.266 -1.109 20.674 1.00 25.40 O ATOM 508 CB CYS A 190 -0.294 -3.016 22.608 1.00 24.41 C ATOM 509 SG CYS A 190 0.395 -3.197 20.943 1.00 27.35 S ATOM 510 H CYS A 190 -1.682 -2.607 24.704 1.00 0.00 H ATOM 511 N GLU A 191 -3.244 -2.849 21.722 1.00 25.22 N ATOM 512 CA GLU A 191 -4.253 -3.086 20.695 1.00 28.44 C ATOM 513 C GLU A 191 -5.112 -1.829 20.507 1.00 26.15 C ATOM 514 O GLU A 191 -5.451 -1.463 19.382 1.00 27.34 O ATOM 515 CB GLU A 191 -5.123 -4.287 21.069 1.00 32.14 C ATOM 516 CG GLU A 191 -6.215 -4.578 20.056 1.00 44.96 C ATOM 517 CD GLU A 191 -5.715 -4.850 18.647 1.00 62.89 C ATOM 518 OE1 GLU A 191 -4.601 -5.398 18.511 1.00 66.28 O ATOM 519 OE2 GLU A 191 -6.438 -4.510 17.689 1.00 78.69 O ATOM 520 H GLU A 191 -3.254 -3.441 22.577 1.00 0.00 H ATOM 521 N THR A 192 -5.464 -1.182 21.622 1.00 23.76 N ATOM 522 CA THR A 192 -6.324 -0.007 21.602 1.00 24.82 C ATOM 523 C THR A 192 -5.577 1.144 20.914 1.00 26.68 C ATOM 524 O THR A 192 -6.159 1.904 20.143 1.00 25.56 O ATOM 525 CB THR A 192 -6.790 0.357 23.018 1.00 26.87 C ATOM 526 OG1 THR A 192 -7.374 -0.804 23.615 1.00 26.90 O ATOM 527 CG2 THR A 192 -7.787 1.495 23.030 1.00 27.87 C ATOM 528 HG1 THR A 192 -6.699 -1.527 23.656 1.00 0.00 H ATOM 529 H THR A 192 -5.111 -1.530 22.536 1.00 0.00 H ATOM 530 N HIS A 193 -4.276 1.245 21.202 1.00 23.11 N ATOM 531 CA HIS A 193 -3.395 2.255 20.622 1.00 24.84 C ATOM 532 C HIS A 193 -3.359 2.096 19.095 1.00 24.04 C ATOM 533 O HIS A 193 -3.515 3.071 18.351 1.00 25.98 O ATOM 534 CB HIS A 193 -2.001 2.142 21.254 1.00 23.46 C ATOM 535 CG HIS A 193 -1.071 3.263 20.928 1.00 22.82 C ATOM 536 ND1 HIS A 193 -0.410 3.974 21.913 1.00 22.85 N ATOM 537 CD2 HIS A 193 -0.664 3.783 19.748 1.00 21.40 C ATOM 538 CE1 HIS A 193 0.357 4.889 21.353 1.00 22.29 C ATOM 539 NE2 HIS A 193 0.222 4.792 20.026 1.00 20.66 N ATOM 540 H HIS A 193 -3.868 0.567 21.877 1.00 0.00 H ATOM 541 N LEU A 194 -3.146 0.859 18.639 1.00 23.50 N ATOM 542 CA LEU A 194 -3.073 0.554 17.213 1.00 24.76 C ATOM 543 C LEU A 194 -4.374 0.995 16.531 1.00 25.15 C ATOM 544 O LEU A 194 -4.342 1.618 15.479 1.00 25.58 O ATOM 545 CB LEU A 194 -2.842 -0.947 17.015 1.00 26.13 C ATOM 546 CG LEU A 194 -1.528 -1.505 17.561 1.00 31.48 C ATOM 547 CD1 LEU A 194 -1.394 -2.982 17.228 1.00 32.12 C ATOM 548 CD2 LEU A 194 -0.335 -0.730 17.025 1.00 31.47 C ATOM 549 H LEU A 194 -3.028 0.085 19.324 1.00 0.00 H ATOM 550 N ARG A 195 -5.510 0.650 17.145 1.00 25.78 N ATOM 551 CA ARG A 195 -6.830 0.934 16.580 1.00 29.50 C ATOM 552 C ARG A 195 -7.053 2.450 16.534 1.00 32.61 C ATOM 553 O ARG A 195 -7.479 2.988 15.514 1.00 33.02 O ATOM 554 CB ARG A 195 -7.920 0.237 17.399 1.00 31.00 C ATOM 555 CG ARG A 195 -8.001 -1.264 17.160 1.00 34.57 C ATOM 556 CD ARG A 195 -8.539 -2.024 18.357 1.00 45.61 C ATOM 557 NE ARG A 195 -9.727 -1.410 18.932 1.00 53.74 N ATOM 558 CZ ARG A 195 -10.169 -1.643 20.163 1.00 68.14 C ATOM 559 NH1 ARG A 195 -9.511 -2.471 20.956 1.00 67.50 N ATOM 560 NH2 ARG A 195 -11.263 -1.045 20.599 1.00 64.10 N ATOM 561 HE ARG A 195 -10.265 -0.745 18.340 1.00 0.00 H ATOM 562 HH12 ARG A 195 -9.857 -2.653 21.920 1.00 0.00 H ATOM 563 HH11 ARG A 195 -8.647 -2.940 20.616 1.00 0.00 H ATOM 564 HH22 ARG A 195 -11.607 -1.229 21.563 1.00 0.00 H ATOM 565 HH21 ARG A 195 -11.780 -0.390 19.978 1.00 0.00 H ATOM 566 H ARG A 195 -5.454 0.160 18.061 1.00 0.00 H ATOM 567 N ARG A 196 -6.763 3.116 17.656 1.00 27.78 N ATOM 568 CA ARG A 196 -6.884 4.565 17.795 1.00 29.68 C ATOM 569 C ARG A 196 -6.144 5.256 16.642 1.00 30.98 C ATOM 570 O ARG A 196 -6.647 6.209 16.048 1.00 31.28 O ATOM 571 CB ARG A 196 -6.319 4.997 19.154 1.00 27.20 C ATOM 572 CG ARG A 196 -6.213 6.502 19.362 1.00 29.92 C ATOM 573 CD ARG A 196 -7.483 7.123 19.913 1.00 31.19 C ATOM 574 NE ARG A 196 -8.509 7.309 18.894 1.00 34.63 N ATOM 575 CZ ARG A 196 -8.634 8.391 18.132 1.00 37.56 C ATOM 576 NH1 ARG A 196 -9.664 8.500 17.311 1.00 33.98 N ATOM 577 NH2 ARG A 196 -7.736 9.360 18.194 1.00 27.55 N ATOM 578 HE ARG A 196 -9.193 6.539 18.753 1.00 0.00 H ATOM 579 HH12 ARG A 196 -9.765 9.345 16.713 1.00 0.00 H ATOM 580 HH11 ARG A 196 -10.373 7.741 17.263 1.00 0.00 H ATOM 581 HH22 ARG A 196 -7.840 10.204 17.595 1.00 0.00 H ATOM 582 HH21 ARG A 196 -6.926 9.278 18.842 1.00 0.00 H ATOM 583 H ARG A 196 -6.432 2.571 18.478 1.00 0.00 H ATOM 584 N GLU A 197 -4.949 4.751 16.329 1.00 26.36 N ATOM 585 CA GLU A 197 -4.009 5.433 15.453 1.00 26.04 C ATOM 586 C GLU A 197 -4.062 4.855 14.034 1.00 28.19 C ATOM 587 O GLU A 197 -3.305 5.283 13.169 1.00 30.15 O ATOM 588 CB GLU A 197 -2.595 5.321 16.025 1.00 28.17 C ATOM 589 CG GLU A 197 -2.382 6.209 17.235 1.00 27.87 C ATOM 590 CD GLU A 197 -2.689 7.671 16.966 1.00 28.20 C ATOM 591 OE1 GLU A 197 -1.887 8.321 16.263 1.00 29.29 O ATOM 592 OE2 GLU A 197 -3.742 8.145 17.433 1.00 33.74 O ATOM 593 H GLU A 197 -4.678 3.830 16.729 1.00 0.00 H ATOM 594 N GLY A 198 -4.957 3.888 13.813 1.00 30.37 N ATOM 595 CA GLY A 198 -5.109 3.239 12.514 1.00 32.65 C ATOM 596 C GLY A 198 -3.815 2.591 12.050 1.00 35.37 C ATOM 597 O GLY A 198 -3.486 2.618 10.865 1.00 34.32 O ATOM 598 H GLY A 198 -5.570 3.586 14.597 1.00 0.00 H ATOM 599 N LEU A 199 -3.081 1.999 12.998 1.00 30.41 N ATOM 600 CA LEU A 199 -1.801 1.362 12.719 1.00 26.05 C ATOM 601 C LEU A 199 -2.021 -0.115 12.373 1.00 28.30 C ATOM 602 O LEU A 199 -2.953 -0.747 12.870 1.00 35.57 O ATOM 603 CB LEU A 199 -0.892 1.498 13.944 1.00 25.97 C ATOM 604 CG LEU A 199 -0.481 2.924 14.302 1.00 27.65 C ATOM 605 CD1 LEU A 199 0.265 2.954 15.627 1.00 28.61 C ATOM 606 CD2 LEU A 199 0.370 3.537 13.201 1.00 33.12 C ATOM 607 H LEU A 199 -3.439 1.993 13.975 1.00 0.00 H ATOM 608 N GLY A 200 -1.133 -0.646 11.526 1.00 32.20 N ATOM 609 CA GLY A 200 -1.135 -2.052 11.147 1.00 34.89 C ATOM 610 C GLY A 200 -0.687 -2.942 12.294 1.00 40.58 C ATOM 611 O GLY A 200 -0.036 -2.482 13.231 1.00 35.03 O ATOM 612 H GLY A 200 -0.406 -0.025 11.118 1.00 0.00 H ATOM 613 N GLN A 201 -1.040 -4.229 12.207 1.00 42.40 N ATOM 614 CA GLN A 201 -0.718 -5.214 13.233 1.00 44.75 C ATOM 615 C GLN A 201 0.800 -5.422 13.298 1.00 37.65 C ATOM 616 O GLN A 201 1.326 -5.882 14.313 1.00 40.17 O ATOM 617 CB GLN A 201 -1.439 -6.534 12.951 1.00 48.62 C ATOM 618 CG GLN A 201 -2.870 -6.556 13.467 1.00 55.44 C ATOM 619 CD GLN A 201 -2.931 -6.287 14.950 1.00 54.00 C ATOM 620 OE1 GLN A 201 -2.172 -6.851 15.735 1.00 62.76 O ATOM 621 NE2 GLN A 201 -3.841 -5.412 15.346 1.00 44.95 N ATOM 622 HE22 GLN A 201 -4.464 -4.957 14.648 1.00 0.00 H ATOM 623 HE21 GLN A 201 -3.934 -5.179 16.355 1.00 0.00 H ATOM 624 H GLN A 201 -1.569 -4.542 11.368 1.00 0.00 H ATOM 625 N ASP A 202 1.492 -5.069 12.212 1.00 38.19 N ATOM 626 CA ASP A 202 2.940 -5.223 12.124 1.00 44.73 C ATOM 627 C ASP A 202 3.620 -4.223 13.069 1.00 37.43 C ATOM 628 O ASP A 202 4.824 -4.309 13.304 1.00 41.80 O ATOM 629 CB ASP A 202 3.431 -5.059 10.683 1.00 50.30 C ATOM 630 CG ASP A 202 3.232 -3.664 10.114 1.00 57.14 C ATOM 631 OD1 ASP A 202 2.362 -2.937 10.631 1.00 57.82 O ATOM 632 OD2 ASP A 202 3.950 -3.318 9.155 1.00 72.60 O ATOM 633 H ASP A 202 0.980 -4.670 11.399 1.00 0.00 H ATOM 634 N GLN A 203 2.837 -3.282 13.609 1.00 32.77 N ATOM 635 CA GLN A 203 3.359 -2.252 14.507 1.00 28.67 C ATOM 636 C GLN A 203 3.100 -2.649 15.965 1.00 29.45 C ATOM 637 O GLN A 203 3.493 -1.935 16.887 1.00 28.97 O ATOM 638 CB GLN A 203 2.724 -0.892 14.209 1.00 28.44 C ATOM 639 CG GLN A 203 3.039 -0.362 12.818 1.00 29.82 C ATOM 640 CD GLN A 203 4.517 -0.381 12.515 1.00 35.02 C ATOM 641 OE1 GLN A 203 5.312 0.310 13.149 1.00 32.41 O ATOM 642 NE2 GLN A 203 4.896 -1.173 11.526 1.00 37.34 N ATOM 643 HE22 GLN A 203 4.190 -1.741 11.015 1.00 0.00 H ATOM 644 HE21 GLN A 203 5.900 -1.228 11.259 1.00 0.00 H ATOM 645 H GLN A 203 1.822 -3.283 13.382 1.00 0.00 H ATOM 646 N ALA A 204 2.441 -3.794 16.165 1.00 27.99 N ATOM 647 CA ALA A 204 2.069 -4.253 17.498 1.00 31.11 C ATOM 648 C ALA A 204 3.322 -4.478 18.356 1.00 32.76 C ATOM 649 O ALA A 204 3.353 -4.101 19.527 1.00 28.94 O ATOM 650 CB ALA A 204 1.239 -5.509 17.396 1.00 35.53 C ATOM 651 H ALA A 204 2.185 -4.377 15.343 1.00 0.00 H ATOM 652 N GLU A 205 4.351 -5.100 17.767 1.00 30.01 N ATOM 653 CA GLU A 205 5.536 -5.526 18.514 1.00 33.21 C ATOM 654 C GLU A 205 6.231 -4.320 19.145 1.00 27.54 C ATOM 655 O GLU A 205 6.463 -4.302 20.354 1.00 28.69 O ATOM 656 CB GLU A 205 6.495 -6.303 17.609 1.00 43.06 C ATOM 657 CG GLU A 205 7.692 -6.866 18.356 1.00 54.42 C ATOM 658 CD GLU A 205 8.510 -7.888 17.585 1.00 69.15 C ATOM 659 OE1 GLU A 205 9.334 -8.577 18.218 1.00 75.84 O ATOM 660 OE2 GLU A 205 8.322 -7.992 16.356 1.00 78.64 O ATOM 661 H GLU A 205 4.307 -5.287 16.745 1.00 0.00 H ATOM 662 N PRO A 206 6.615 -3.291 18.357 1.00 25.32 N ATOM 663 CA PRO A 206 7.299 -2.119 18.907 1.00 28.52 C ATOM 664 C PRO A 206 6.443 -1.329 19.910 1.00 24.29 C ATOM 665 O PRO A 206 6.965 -0.849 20.912 1.00 24.21 O ATOM 666 CB PRO A 206 7.637 -1.266 17.672 1.00 32.20 C ATOM 667 CG PRO A 206 6.679 -1.746 16.601 1.00 30.47 C ATOM 668 CD PRO A 206 6.447 -3.213 16.899 1.00 28.86 C ATOM 669 N VAL A 207 5.137 -1.214 19.645 1.00 25.80 N ATOM 670 CA VAL A 207 4.243 -0.466 20.524 1.00 22.62 C ATOM 671 C VAL A 207 4.121 -1.200 21.866 1.00 23.13 C ATOM 672 O VAL A 207 4.249 -0.588 22.919 1.00 23.64 O ATOM 673 CB VAL A 207 2.866 -0.224 19.880 1.00 25.57 C ATOM 674 CG1 VAL A 207 1.868 0.330 20.886 1.00 24.39 C ATOM 675 CG2 VAL A 207 2.973 0.690 18.668 1.00 22.77 C ATOM 676 H VAL A 207 4.750 -1.668 18.793 1.00 0.00 H ATOM 677 N LEU A 208 3.878 -2.514 21.818 1.00 23.10 N ATOM 678 CA LEU A 208 3.755 -3.310 23.032 1.00 23.39 C ATOM 679 C LEU A 208 5.064 -3.232 23.824 1.00 21.95 C ATOM 680 O LEU A 208 5.047 -3.089 25.042 1.00 23.29 O ATOM 681 CB LEU A 208 3.415 -4.759 22.670 1.00 25.05 C ATOM 682 CG LEU A 208 3.305 -5.714 23.858 1.00 27.22 C ATOM 683 CD1 LEU A 208 2.251 -5.240 24.846 1.00 34.04 C ATOM 684 CD2 LEU A 208 3.001 -7.129 23.393 1.00 32.85 C ATOM 685 H LEU A 208 3.774 -2.978 20.893 1.00 0.00 H ATOM 686 N GLU A 209 6.196 -3.307 23.116 1.00 23.69 N ATOM 687 CA GLU A 209 7.500 -3.287 23.768 1.00 24.27 C ATOM 688 C GLU A 209 7.671 -1.979 24.551 1.00 22.58 C ATOM 689 O GLU A 209 8.193 -1.980 25.663 1.00 23.02 O ATOM 690 CB GLU A 209 8.633 -3.449 22.756 1.00 25.36 C ATOM 691 CG GLU A 209 10.001 -3.433 23.413 1.00 27.29 C ATOM 692 CD GLU A 209 11.156 -3.810 22.506 1.00 32.35 C ATOM 693 OE1 GLU A 209 10.898 -4.294 21.387 1.00 36.24 O ATOM 694 OE2 GLU A 209 12.312 -3.624 22.929 1.00 31.87 O ATOM 695 H GLU A 209 6.145 -3.381 22.080 1.00 0.00 H ATOM 696 N VAL A 210 7.235 -0.860 23.966 1.00 21.21 N ATOM 697 CA VAL A 210 7.326 0.422 24.652 1.00 21.24 C ATOM 698 C VAL A 210 6.517 0.352 25.953 1.00 21.73 C ATOM 699 O VAL A 210 7.009 0.721 27.017 1.00 21.85 O ATOM 700 CB VAL A 210 6.861 1.592 23.764 1.00 22.16 C ATOM 701 CG1 VAL A 210 6.685 2.866 24.575 1.00 21.82 C ATOM 702 CG2 VAL A 210 7.814 1.821 22.602 1.00 25.85 C ATOM 703 H VAL A 210 6.826 -0.904 23.011 1.00 0.00 H ATOM 704 N TYR A 211 5.271 -0.121 25.864 1.00 20.01 N ATOM 705 CA TYR A 211 4.400 -0.162 27.032 1.00 23.24 C ATOM 706 C TYR A 211 4.991 -1.105 28.087 1.00 22.45 C ATOM 707 O TYR A 211 4.977 -0.788 29.268 1.00 22.22 O ATOM 708 CB TYR A 211 2.970 -0.537 26.641 1.00 24.46 C ATOM 709 CG TYR A 211 2.176 0.614 26.078 1.00 21.80 C ATOM 710 CD1 TYR A 211 2.028 1.788 26.796 1.00 22.92 C ATOM 711 CD2 TYR A 211 1.578 0.537 24.831 1.00 21.33 C ATOM 712 CE1 TYR A 211 1.307 2.857 26.295 1.00 23.19 C ATOM 713 CE2 TYR A 211 0.853 1.598 24.314 1.00 21.87 C ATOM 714 CZ TYR A 211 0.716 2.762 25.049 1.00 23.70 C ATOM 715 OH TYR A 211 -0.001 3.818 24.563 1.00 23.21 O ATOM 716 HH TYR A 211 0.403 4.127 23.713 1.00 0.00 H ATOM 717 H TYR A 211 4.917 -0.465 24.948 1.00 0.00 H ATOM 718 N GLN A 212 5.523 -2.250 27.648 1.00 22.88 N ATOM 719 CA GLN A 212 6.068 -3.240 28.580 1.00 23.24 C ATOM 720 C GLN A 212 7.265 -2.641 29.328 1.00 24.84 C ATOM 721 O GLN A 212 7.417 -2.842 30.532 1.00 24.82 O ATOM 722 CB GLN A 212 6.464 -4.525 27.848 1.00 24.80 C ATOM 723 CG GLN A 212 5.280 -5.417 27.497 1.00 28.66 C ATOM 724 CD GLN A 212 5.693 -6.629 26.696 1.00 32.32 C ATOM 725 OE1 GLN A 212 6.737 -6.646 26.049 1.00 36.48 O ATOM 726 NE2 GLN A 212 4.859 -7.656 26.724 1.00 39.53 N ATOM 727 HE22 GLN A 212 3.985 -7.601 27.285 1.00 0.00 H ATOM 728 HE21 GLN A 212 5.078 -8.518 26.185 1.00 0.00 H ATOM 729 H GLN A 212 5.550 -2.441 26.626 1.00 0.00 H ATOM 730 N ARG A 213 8.110 -1.888 28.616 1.00 23.33 N ATOM 731 CA ARG A 213 9.371 -1.444 29.190 1.00 23.98 C ATOM 732 C ARG A 213 9.151 -0.170 30.018 1.00 26.27 C ATOM 733 O ARG A 213 9.922 0.108 30.932 1.00 25.70 O ATOM 734 CB ARG A 213 10.426 -1.316 28.088 1.00 21.95 C ATOM 735 CG ARG A 213 10.839 -2.664 27.512 1.00 24.57 C ATOM 736 CD ARG A 213 11.787 -2.576 26.334 1.00 25.90 C ATOM 737 NE ARG A 213 13.105 -2.089 26.711 1.00 25.89 N ATOM 738 CZ ARG A 213 14.081 -1.846 25.848 1.00 26.33 C ATOM 739 NH1 ARG A 213 13.895 -2.093 24.562 1.00 25.86 N ATOM 740 NH2 ARG A 213 15.233 -1.352 26.270 1.00 27.36 N ATOM 741 HE ARG A 213 13.293 -1.921 27.720 1.00 0.00 H ATOM 742 HH12 ARG A 213 14.658 -1.904 23.881 1.00 0.00 H ATOM 743 HH11 ARG A 213 12.986 -2.476 24.232 1.00 0.00 H ATOM 744 HH22 ARG A 213 15.997 -1.162 25.591 1.00 0.00 H ATOM 745 HH21 ARG A 213 15.374 -1.153 27.281 1.00 0.00 H ATOM 746 H ARG A 213 7.863 -1.617 27.643 1.00 0.00 H ATOM 747 N LEU A 214 8.085 0.582 29.725 1.00 21.77 N ATOM 748 CA LEU A 214 7.669 1.650 30.625 1.00 22.46 C ATOM 749 C LEU A 214 7.132 1.015 31.914 1.00 23.05 C ATOM 750 O LEU A 214 7.437 1.466 33.015 1.00 24.23 O ATOM 751 CB LEU A 214 6.607 2.528 29.954 1.00 23.66 C ATOM 752 CG LEU A 214 7.119 3.475 28.866 1.00 24.44 C ATOM 753 CD1 LEU A 214 5.972 4.268 28.262 1.00 25.96 C ATOM 754 CD2 LEU A 214 8.185 4.415 29.408 1.00 26.25 C ATOM 755 H LEU A 214 7.550 0.404 28.851 1.00 0.00 H ATOM 756 N HIS A 215 6.352 -0.058 31.757 1.00 24.02 N ATOM 757 CA HIS A 215 5.692 -0.708 32.885 1.00 24.14 C ATOM 758 C HIS A 215 6.738 -1.260 33.863 1.00 26.28 C ATOM 759 O HIS A 215 6.565 -1.160 35.080 1.00 26.85 O ATOM 760 CB HIS A 215 4.729 -1.793 32.388 1.00 25.01 C ATOM 761 CG HIS A 215 3.803 -2.293 33.445 1.00 23.74 C ATOM 762 ND1 HIS A 215 4.142 -3.334 34.289 1.00 27.64 N ATOM 763 CD2 HIS A 215 2.559 -1.905 33.799 1.00 23.28 C ATOM 764 CE1 HIS A 215 3.143 -3.564 35.119 1.00 27.57 C ATOM 765 NE2 HIS A 215 2.160 -2.700 34.840 1.00 27.50 N ATOM 766 H HIS A 215 6.211 -0.442 30.801 1.00 0.00 H ATOM 767 N SER A 216 7.824 -1.822 33.322 1.00 25.77 N ATOM 768 CA SER A 216 8.847 -2.501 34.127 1.00 26.39 C ATOM 769 C SER A 216 10.024 -1.564 34.420 1.00 29.39 C ATOM 770 O SER A 216 11.048 -1.996 34.951 1.00 31.63 O ATOM 771 CB SER A 216 9.319 -3.758 33.444 1.00 28.71 C ATOM 772 OG SER A 216 10.011 -3.457 32.240 1.00 31.71 O ATOM 773 HG SER A 216 10.309 -4.299 31.813 1.00 0.00 H ATOM 774 H SER A 216 7.949 -1.776 32.291 1.00 0.00 H ATOM 775 N ASP A 217 9.877 -0.282 34.076 1.00 26.22 N ATOM 776 CA ASP A 217 10.987 0.656 34.147 1.00 26.85 C ATOM 777 C ASP A 217 11.406 0.845 35.609 1.00 30.84 C ATOM 778 O ASP A 217 10.572 0.846 36.515 1.00 32.18 O ATOM 779 CB ASP A 217 10.633 1.998 33.504 1.00 25.23 C ATOM 780 CG ASP A 217 11.846 2.790 33.049 1.00 27.93 C ATOM 781 OD1 ASP A 217 12.968 2.242 33.124 1.00 25.29 O ATOM 782 OD2 ASP A 217 11.659 3.946 32.618 1.00 24.74 O ATOM 783 H ASP A 217 8.948 0.053 33.750 1.00 0.00 H ATOM 784 N LYS A 218 12.717 1.009 35.806 1.00 31.29 N ATOM 785 CA LYS A 218 13.308 1.310 37.102 1.00 40.87 C ATOM 786 C LYS A 218 14.171 2.569 36.968 1.00 33.75 C ATOM 787 O LYS A 218 15.036 2.646 36.091 1.00 33.11 O ATOM 788 CB LYS A 218 14.148 0.128 37.596 1.00 47.20 C ATOM 789 CG LYS A 218 13.379 -1.167 37.826 1.00 59.04 C ATOM 790 CD LYS A 218 14.268 -2.331 38.216 1.00 72.75 C ATOM 791 CE LYS A 218 13.510 -3.632 38.378 1.00 79.46 C ATOM 792 NZ LYS A 218 12.527 -3.560 39.485 1.00 79.96 N ATOM 793 HZ1 LYS A 218 13.024 -3.357 40.376 1.00 0.00 H ATOM 794 HZ2 LYS A 218 11.841 -2.803 39.289 1.00 0.00 H ATOM 795 HZ3 LYS A 218 12.029 -4.469 39.564 1.00 0.00 H ATOM 796 H LYS A 218 13.351 0.916 34.987 1.00 0.00 H ATOM 797 N GLY A 219 13.906 3.553 37.832 1.00 33.19 N ATOM 798 CA GLY A 219 14.690 4.778 37.914 1.00 38.16 C ATOM 799 C GLY A 219 14.571 5.621 36.656 1.00 37.67 C ATOM 800 O GLY A 219 15.379 6.519 36.430 1.00 35.04 O ATOM 801 H GLY A 219 13.099 3.439 38.479 1.00 0.00 H ATOM 802 N GLY A 220 13.556 5.323 35.837 1.00 35.80 N ATOM 803 CA GLY A 220 13.261 6.082 34.623 1.00 29.69 C ATOM 804 C GLY A 220 14.297 5.861 33.533 1.00 26.33 C ATOM 805 O GLY A 220 14.442 6.691 32.636 1.00 25.66 O ATOM 806 H GLY A 220 12.948 4.513 36.075 1.00 0.00 H ATOM 807 N SER A 221 15.001 4.727 33.598 1.00 25.37 N ATOM 808 CA SER A 221 16.094 4.411 32.681 1.00 27.26 C ATOM 809 C SER A 221 15.576 4.252 31.247 1.00 28.28 C ATOM 810 O SER A 221 16.114 4.851 30.315 1.00 28.77 O ATOM 811 CB SER A 221 16.833 3.176 33.128 1.00 36.59 C ATOM 812 OG SER A 221 17.573 3.437 34.310 1.00 53.19 O ATOM 813 HG SER A 221 18.229 4.158 34.135 1.00 0.00 H ATOM 814 H SER A 221 14.759 4.036 34.337 1.00 0.00 H ATOM 815 N PHE A 222 14.547 3.419 31.064 1.00 24.08 N ATOM 816 CA PHE A 222 14.028 3.173 29.729 1.00 23.56 C ATOM 817 C PHE A 222 13.348 4.439 29.200 1.00 23.37 C ATOM 818 O PHE A 222 13.487 4.788 28.031 1.00 23.63 O ATOM 819 CB PHE A 222 13.043 2.005 29.694 1.00 24.76 C ATOM 820 CG PHE A 222 12.359 1.870 28.358 1.00 22.65 C ATOM 821 CD1 PHE A 222 13.050 1.395 27.256 1.00 22.04 C ATOM 822 CD2 PHE A 222 11.037 2.253 28.194 1.00 23.24 C ATOM 823 CE1 PHE A 222 12.429 1.288 26.021 1.00 24.12 C ATOM 824 CE2 PHE A 222 10.419 2.145 26.959 1.00 24.07 C ATOM 825 CZ PHE A 222 11.113 1.660 25.877 1.00 23.57 C ATOM 826 H PHE A 222 14.115 2.944 31.882 1.00 0.00 H ATOM 827 N GLU A 223 12.600 5.106 30.080 1.00 23.02 N ATOM 828 CA GLU A 223 11.901 6.336 29.757 1.00 23.06 C ATOM 829 C GLU A 223 12.896 7.353 29.180 1.00 24.48 C ATOM 830 O GLU A 223 12.621 7.997 28.165 1.00 20.77 O ATOM 831 CB GLU A 223 11.197 6.850 31.013 1.00 22.58 C ATOM 832 CG GLU A 223 10.531 8.196 30.848 1.00 23.00 C ATOM 833 CD GLU A 223 9.978 8.757 32.146 1.00 26.90 C ATOM 834 OE1 GLU A 223 9.473 7.960 32.964 1.00 27.14 O ATOM 835 OE2 GLU A 223 10.063 9.981 32.345 1.00 28.45 O ATOM 836 H GLU A 223 12.514 4.726 31.044 1.00 0.00 H ATOM 837 N ALA A 224 14.063 7.477 29.821 1.00 21.80 N ATOM 838 CA ALA A 224 15.076 8.452 29.404 1.00 24.41 C ATOM 839 C ALA A 224 15.675 8.047 28.050 1.00 22.53 C ATOM 840 O ALA A 224 15.934 8.900 27.199 1.00 23.62 O ATOM 841 CB ALA A 224 16.140 8.585 30.466 1.00 23.00 C ATOM 842 H ALA A 224 14.258 6.865 30.639 1.00 0.00 H ATOM 843 N ALA A 225 15.878 6.742 27.852 1.00 21.88 N ATOM 844 CA ALA A 225 16.403 6.218 26.592 1.00 23.89 C ATOM 845 C ALA A 225 15.392 6.461 25.464 1.00 24.81 C ATOM 846 O ALA A 225 15.768 6.803 24.348 1.00 22.66 O ATOM 847 CB ALA A 225 16.718 4.750 26.731 1.00 23.48 C ATOM 848 H ALA A 225 15.655 6.076 28.619 1.00 0.00 H ATOM 849 N LEU A 226 14.106 6.256 25.769 1.00 23.22 N ATOM 850 CA LEU A 226 13.028 6.445 24.806 1.00 22.86 C ATOM 851 C LEU A 226 12.994 7.913 24.364 1.00 21.32 C ATOM 852 O LEU A 226 12.931 8.211 23.165 1.00 21.87 O ATOM 853 CB LEU A 226 11.704 6.034 25.457 1.00 23.07 C ATOM 854 CG LEU A 226 10.459 6.182 24.582 1.00 22.09 C ATOM 855 CD1 LEU A 226 10.524 5.251 23.386 1.00 27.53 C ATOM 856 CD2 LEU A 226 9.200 5.914 25.391 1.00 25.35 C ATOM 857 H LEU A 226 13.865 5.949 26.733 1.00 0.00 H ATOM 858 N TRP A 227 13.027 8.819 25.344 1.00 19.78 N ATOM 859 CA TRP A 227 13.001 10.250 25.079 1.00 21.12 C ATOM 860 C TRP A 227 14.169 10.636 24.165 1.00 22.31 C ATOM 861 O TRP A 227 14.006 11.424 23.236 1.00 21.36 O ATOM 862 CB TRP A 227 13.048 11.056 26.379 1.00 23.20 C ATOM 863 CG TRP A 227 13.161 12.528 26.135 1.00 24.69 C ATOM 864 CD1 TRP A 227 14.298 13.284 26.141 1.00 31.64 C ATOM 865 CD2 TRP A 227 12.086 13.422 25.802 1.00 25.69 C ATOM 866 NE1 TRP A 227 14.001 14.590 25.856 1.00 30.92 N ATOM 867 CE2 TRP A 227 12.652 14.705 25.644 1.00 30.79 C ATOM 868 CE3 TRP A 227 10.706 13.267 25.639 1.00 25.41 C ATOM 869 CZ2 TRP A 227 11.881 15.822 25.324 1.00 35.13 C ATOM 870 CZ3 TRP A 227 9.946 14.371 25.326 1.00 28.46 C ATOM 871 CH2 TRP A 227 10.529 15.629 25.169 1.00 29.91 C ATOM 872 HE1 TRP A 227 14.688 15.369 25.808 1.00 0.00 H ATOM 873 H TRP A 227 13.073 8.491 26.330 1.00 0.00 H ATOM 874 N GLN A 228 15.351 10.093 24.470 1.00 21.79 N ATOM 875 CA GLN A 228 16.581 10.451 23.769 1.00 22.77 C ATOM 876 C GLN A 228 16.541 9.932 22.326 1.00 22.06 C ATOM 877 O GLN A 228 16.942 10.632 21.394 1.00 22.80 O ATOM 878 CB GLN A 228 17.779 9.879 24.525 1.00 25.36 C ATOM 879 CG GLN A 228 19.102 10.025 23.794 1.00 31.96 C ATOM 880 CD GLN A 228 20.143 9.133 24.422 1.00 36.85 C ATOM 881 OE1 GLN A 228 20.058 7.907 24.353 1.00 37.77 O ATOM 882 NE2 GLN A 228 21.126 9.748 25.058 1.00 36.91 N ATOM 883 HE22 GLN A 228 21.155 10.787 25.089 1.00 0.00 H ATOM 884 HE21 GLN A 228 21.870 9.193 25.527 1.00 0.00 H ATOM 885 H GLN A 228 15.397 9.390 25.235 1.00 0.00 H ATOM 886 N GLN A 229 16.065 8.696 22.151 1.00 19.60 N ATOM 887 CA GLN A 229 16.118 8.021 20.864 1.00 19.68 C ATOM 888 C GLN A 229 15.043 8.569 19.916 1.00 22.53 C ATOM 889 O GLN A 229 15.312 8.800 18.748 1.00 20.54 O ATOM 890 CB GLN A 229 15.975 6.512 21.054 1.00 24.57 C ATOM 891 CG GLN A 229 17.212 5.877 21.668 1.00 23.27 C ATOM 892 CD GLN A 229 18.448 6.203 20.867 1.00 24.87 C ATOM 893 OE1 GLN A 229 18.444 6.158 19.638 1.00 24.28 O ATOM 894 NE2 GLN A 229 19.519 6.545 21.565 1.00 24.82 N ATOM 895 HE22 GLN A 229 19.477 6.569 22.604 1.00 0.00 H ATOM 896 HE21 GLN A 229 20.403 6.789 21.075 1.00 0.00 H ATOM 897 H GLN A 229 15.643 8.200 22.962 1.00 0.00 H ATOM 898 N TRP A 230 13.821 8.758 20.418 1.00 21.81 N ATOM 899 CA TRP A 230 12.697 9.097 19.549 1.00 20.25 C ATOM 900 C TRP A 230 12.733 10.577 19.161 1.00 18.14 C ATOM 901 O TRP A 230 13.176 11.431 19.923 1.00 21.87 O ATOM 902 CB TRP A 230 11.365 8.750 20.221 1.00 20.13 C ATOM 903 CG TRP A 230 10.991 7.306 20.116 1.00 20.32 C ATOM 904 CD1 TRP A 230 11.815 6.248 19.864 1.00 22.75 C ATOM 905 CD2 TRP A 230 9.674 6.759 20.290 1.00 19.51 C ATOM 906 NE1 TRP A 230 11.099 5.082 19.862 1.00 23.42 N ATOM 907 CE2 TRP A 230 9.782 5.364 20.120 1.00 19.90 C ATOM 908 CE3 TRP A 230 8.422 7.313 20.573 1.00 21.31 C ATOM 909 CZ2 TRP A 230 8.681 4.517 20.221 1.00 22.42 C ATOM 910 CZ3 TRP A 230 7.334 6.475 20.671 1.00 22.81 C ATOM 911 CH2 TRP A 230 7.465 5.097 20.497 1.00 22.28 C ATOM 912 HE1 TRP A 230 11.491 4.134 19.692 1.00 0.00 H ATOM 913 H TRP A 230 13.667 8.663 21.442 1.00 0.00 H ATOM 914 N ASP A 231 12.201 10.854 17.967 1.00 21.16 N ATOM 915 CA ASP A 231 11.989 12.202 17.483 1.00 23.19 C ATOM 916 C ASP A 231 10.746 12.791 18.160 1.00 21.51 C ATOM 917 O ASP A 231 9.852 12.065 18.592 1.00 22.00 O ATOM 918 CB ASP A 231 11.805 12.211 15.966 1.00 21.81 C ATOM 919 CG ASP A 231 10.572 11.443 15.527 1.00 23.00 C ATOM 920 OD1 ASP A 231 10.593 10.199 15.618 1.00 25.80 O ATOM 921 OD2 ASP A 231 9.593 12.095 15.119 1.00 27.84 O ATOM 922 H ASP A 231 11.925 10.061 17.354 1.00 0.00 H ATOM 923 N ARG A 232 10.704 14.124 18.209 1.00 22.71 N ATOM 924 CA ARG A 232 9.656 14.881 18.865 1.00 21.13 C ATOM 925 C ARG A 232 8.276 14.484 18.324 1.00 20.98 C ATOM 926 O ARG A 232 7.345 14.281 19.098 1.00 21.96 O ATOM 927 CB ARG A 232 9.908 16.376 18.663 1.00 23.14 C ATOM 928 CG ARG A 232 8.738 17.265 19.052 1.00 27.11 C ATOM 929 CD ARG A 232 9.062 18.736 18.880 1.00 27.20 C ATOM 930 NE ARG A 232 7.861 19.548 18.985 1.00 28.49 N ATOM 931 CZ ARG A 232 7.405 20.081 20.110 1.00 28.70 C ATOM 932 NH1 ARG A 232 8.094 19.960 21.233 1.00 27.32 N ATOM 933 NH2 ARG A 232 6.257 20.735 20.106 1.00 29.43 N ATOM 934 HE ARG A 232 7.320 19.724 18.114 1.00 0.00 H ATOM 935 HH12 ARG A 232 7.732 20.380 22.113 1.00 0.00 H ATOM 936 HH11 ARG A 232 8.998 19.445 21.236 1.00 0.00 H ATOM 937 HH22 ARG A 232 5.895 21.155 20.986 1.00 0.00 H ATOM 938 HH21 ARG A 232 5.716 20.830 19.223 1.00 0.00 H ATOM 939 H ARG A 232 11.471 14.653 17.748 1.00 0.00 H ATOM 940 N GLN A 233 8.150 14.386 16.997 1.00 20.96 N ATOM 941 CA GLN A 233 6.853 14.118 16.368 1.00 23.25 C ATOM 942 C GLN A 233 6.317 12.756 16.830 1.00 21.14 C ATOM 943 O GLN A 233 5.133 12.634 17.174 1.00 22.65 O ATOM 944 CB GLN A 233 6.968 14.187 14.845 1.00 29.46 C ATOM 945 CG GLN A 233 7.121 15.608 14.322 1.00 45.14 C ATOM 946 CD GLN A 233 5.975 16.494 14.745 1.00 58.00 C ATOM 947 OE1 GLN A 233 4.809 16.108 14.681 1.00 66.76 O ATOM 948 NE2 GLN A 233 6.301 17.700 15.182 1.00 52.29 N ATOM 949 HE22 GLN A 233 7.300 17.987 15.220 1.00 0.00 H ATOM 950 HE21 GLN A 233 5.558 18.361 15.487 1.00 0.00 H ATOM 951 H GLN A 233 8.991 14.503 16.397 1.00 0.00 H ATOM 952 N SER A 234 7.186 11.739 16.831 1.00 21.69 N ATOM 953 CA SER A 234 6.811 10.387 17.251 1.00 20.95 C ATOM 954 C SER A 234 6.336 10.401 18.708 1.00 20.74 C ATOM 955 O SER A 234 5.368 9.726 19.061 1.00 21.31 O ATOM 956 CB SER A 234 7.947 9.413 17.069 1.00 22.08 C ATOM 957 OG SER A 234 8.259 9.252 15.695 1.00 25.01 O ATOM 958 HG SER A 234 8.524 10.126 15.313 1.00 0.00 H ATOM 959 H SER A 234 8.163 11.915 16.522 1.00 0.00 H ATOM 960 N LEU A 235 7.045 11.151 19.553 1.00 18.07 N ATOM 961 CA LEU A 235 6.715 11.231 20.967 1.00 19.01 C ATOM 962 C LEU A 235 5.354 11.916 21.139 1.00 21.54 C ATOM 963 O LEU A 235 4.513 11.454 21.904 1.00 21.35 O ATOM 964 CB LEU A 235 7.824 11.985 21.702 1.00 21.31 C ATOM 965 CG LEU A 235 9.118 11.196 21.899 1.00 22.76 C ATOM 966 CD1 LEU A 235 10.299 12.133 22.111 1.00 26.97 C ATOM 967 CD2 LEU A 235 8.982 10.224 23.064 1.00 24.19 C ATOM 968 H LEU A 235 7.855 11.693 19.191 1.00 0.00 H ATOM 969 N ILE A 236 5.145 13.018 20.415 1.00 19.94 N ATOM 970 CA ILE A 236 3.890 13.758 20.497 1.00 18.24 C ATOM 971 C ILE A 236 2.732 12.831 20.113 1.00 20.43 C ATOM 972 O ILE A 236 1.698 12.798 20.788 1.00 21.57 O ATOM 973 CB ILE A 236 3.928 15.017 19.610 1.00 20.65 C ATOM 974 CG1 ILE A 236 4.754 16.133 20.252 1.00 24.24 C ATOM 975 CG2 ILE A 236 2.518 15.483 19.279 1.00 21.28 C ATOM 976 CD1 ILE A 236 4.985 17.317 19.348 1.00 25.10 C ATOM 977 H ILE A 236 5.894 13.357 19.778 1.00 0.00 H ATOM 978 N MET A 237 2.900 12.084 19.021 1.00 20.49 N ATOM 979 CA MET A 237 1.820 11.237 18.522 1.00 21.11 C ATOM 980 C MET A 237 1.518 10.130 19.540 1.00 20.98 C ATOM 981 O MET A 237 0.356 9.832 19.817 1.00 20.30 O ATOM 982 CB MET A 237 2.178 10.624 17.166 1.00 23.56 C ATOM 983 CG MET A 237 2.284 11.662 16.068 1.00 30.00 C ATOM 984 SD MET A 237 2.332 10.927 14.418 1.00 39.35 S ATOM 985 CE MET A 237 0.627 10.407 14.245 1.00 44.90 C ATOM 986 H MET A 237 3.811 12.105 18.519 1.00 0.00 H ATOM 987 N PHE A 238 2.571 9.538 20.109 1.00 19.67 N ATOM 988 CA PHE A 238 2.419 8.423 21.041 1.00 18.80 C ATOM 989 C PHE A 238 1.685 8.893 22.304 1.00 18.70 C ATOM 990 O PHE A 238 0.757 8.233 22.789 1.00 20.40 O ATOM 991 CB PHE A 238 3.783 7.826 21.393 1.00 19.41 C ATOM 992 CG PHE A 238 3.707 6.437 21.971 1.00 19.91 C ATOM 993 CD1 PHE A 238 3.440 6.242 23.315 1.00 21.12 C ATOM 994 CD2 PHE A 238 3.884 5.326 21.163 1.00 21.34 C ATOM 995 CE1 PHE A 238 3.364 4.962 23.842 1.00 22.18 C ATOM 996 CE2 PHE A 238 3.811 4.047 21.693 1.00 21.85 C ATOM 997 CZ PHE A 238 3.548 3.869 23.029 1.00 24.02 C ATOM 998 H PHE A 238 3.527 9.880 19.882 1.00 0.00 H ATOM 999 N ILE A 239 2.105 10.046 22.826 1.00 19.14 N ATOM 1000 CA ILE A 239 1.562 10.598 24.057 1.00 19.51 C ATOM 1001 C ILE A 239 0.106 11.024 23.825 1.00 19.47 C ATOM 1002 O ILE A 239 -0.751 10.780 24.666 1.00 21.24 O ATOM 1003 CB ILE A 239 2.444 11.757 24.560 1.00 20.42 C ATOM 1004 CG1 ILE A 239 3.791 11.236 25.070 1.00 20.76 C ATOM 1005 CG2 ILE A 239 1.715 12.579 25.611 1.00 19.96 C ATOM 1006 CD1 ILE A 239 4.797 12.323 25.366 1.00 22.42 C ATOM 1007 H ILE A 239 2.853 10.573 22.332 1.00 0.00 H ATOM 1008 N THR A 240 -0.164 11.659 22.681 1.00 19.42 N ATOM 1009 CA THR A 240 -1.525 12.056 22.338 1.00 20.73 C ATOM 1010 C THR A 240 -2.426 10.815 22.337 1.00 18.80 C ATOM 1011 O THR A 240 -3.519 10.816 22.919 1.00 20.14 O ATOM 1012 CB THR A 240 -1.576 12.775 20.986 1.00 21.04 C ATOM 1013 OG1 THR A 240 -0.828 13.985 21.106 1.00 21.70 O ATOM 1014 CG2 THR A 240 -2.991 13.083 20.543 1.00 22.55 C ATOM 1015 HG1 THR A 240 0.108 13.770 21.346 1.00 0.00 H ATOM 1016 H THR A 240 0.611 11.874 22.022 1.00 0.00 H ATOM 1017 N ALA A 241 -1.956 9.752 21.680 1.00 19.35 N ATOM 1018 CA ALA A 241 -2.716 8.513 21.557 1.00 19.11 C ATOM 1019 C ALA A 241 -2.961 7.917 22.949 1.00 22.43 C ATOM 1020 O ALA A 241 -4.084 7.533 23.285 1.00 21.67 O ATOM 1021 CB ALA A 241 -1.984 7.543 20.665 1.00 20.73 C ATOM 1022 H ALA A 241 -1.015 9.809 21.241 1.00 0.00 H ATOM 1023 N PHE A 242 -1.899 7.845 23.759 1.00 19.60 N ATOM 1024 CA PHE A 242 -1.995 7.252 25.084 1.00 19.59 C ATOM 1025 C PHE A 242 -3.048 7.998 25.911 1.00 20.19 C ATOM 1026 O PHE A 242 -3.895 7.384 26.552 1.00 19.89 O ATOM 1027 CB PHE A 242 -0.649 7.268 25.811 1.00 21.20 C ATOM 1028 CG PHE A 242 -0.735 6.746 27.223 1.00 19.15 C ATOM 1029 CD1 PHE A 242 -0.722 5.384 27.474 1.00 20.02 C ATOM 1030 CD2 PHE A 242 -0.872 7.614 28.293 1.00 20.69 C ATOM 1031 CE1 PHE A 242 -0.814 4.902 28.771 1.00 22.19 C ATOM 1032 CE2 PHE A 242 -0.964 7.130 29.588 1.00 20.37 C ATOM 1033 CZ PHE A 242 -0.937 5.776 29.824 1.00 21.12 C ATOM 1034 H PHE A 242 -0.985 8.221 23.435 1.00 0.00 H ATOM 1035 N LEU A 243 -2.989 9.331 25.901 1.00 19.59 N ATOM 1036 CA LEU A 243 -3.884 10.129 26.726 1.00 20.94 C ATOM 1037 C LEU A 243 -5.324 9.972 26.224 1.00 22.67 C ATOM 1038 O LEU A 243 -6.267 10.139 26.991 1.00 22.27 O ATOM 1039 CB LEU A 243 -3.429 11.590 26.713 1.00 21.72 C ATOM 1040 CG LEU A 243 -2.158 11.878 27.511 1.00 21.14 C ATOM 1041 CD1 LEU A 243 -1.716 13.321 27.328 1.00 23.18 C ATOM 1042 CD2 LEU A 243 -2.358 11.564 28.986 1.00 22.85 C ATOM 1043 H LEU A 243 -2.292 9.808 25.294 1.00 0.00 H ATOM 1044 N ASN A 244 -5.478 9.612 24.946 1.00 20.26 N ATOM 1045 CA ASN A 244 -6.799 9.427 24.349 1.00 23.32 C ATOM 1046 C ASN A 244 -7.410 8.083 24.769 1.00 25.14 C ATOM 1047 O ASN A 244 -8.625 7.917 24.702 1.00 28.32 O ATOM 1048 CB ASN A 244 -6.755 9.517 22.823 1.00 20.24 C ATOM 1049 CG ASN A 244 -6.795 10.943 22.320 1.00 19.72 C ATOM 1050 OD1 ASN A 244 -7.282 11.836 23.009 1.00 22.09 O ATOM 1051 ND2 ASN A 244 -6.289 11.162 21.117 1.00 21.46 N ATOM 1052 HD22 ASN A 244 -5.887 10.374 20.570 1.00 0.00 H ATOM 1053 HD21 ASN A 244 -6.293 12.122 20.718 1.00 0.00 H ATOM 1054 H ASN A 244 -4.633 9.459 24.359 1.00 0.00 H ATOM 1055 N ILE A 245 -6.580 7.123 25.189 1.00 23.04 N ATOM 1056 CA ILE A 245 -7.071 5.757 25.415 1.00 23.25 C ATOM 1057 C ILE A 245 -6.987 5.369 26.899 1.00 27.05 C ATOM 1058 O ILE A 245 -7.773 4.541 27.358 1.00 27.27 O ATOM 1059 CB ILE A 245 -6.319 4.741 24.529 1.00 23.42 C ATOM 1060 CG1 ILE A 245 -4.856 4.581 24.949 1.00 22.75 C ATOM 1061 CG2 ILE A 245 -6.447 5.105 23.058 1.00 24.02 C ATOM 1062 CD1 ILE A 245 -4.070 3.618 24.087 1.00 23.62 C ATOM 1063 H ILE A 245 -5.578 7.345 25.357 1.00 0.00 H ATOM 1064 N ALA A 246 -6.041 5.956 27.640 1.00 21.86 N ATOM 1065 CA ALA A 246 -5.647 5.426 28.956 1.00 25.20 C ATOM 1066 C ALA A 246 -6.763 5.606 29.994 1.00 25.26 C ATOM 1067 O ALA A 246 -6.865 4.818 30.932 1.00 31.52 O ATOM 1068 CB ALA A 246 -4.369 6.083 29.415 1.00 28.84 C ATOM 1069 H ALA A 246 -5.571 6.810 27.277 1.00 0.00 H ATOM 1070 N LEU A 247 -7.580 6.649 29.831 1.00 26.38 N ATOM 1071 CA LEU A 247 -8.567 7.026 30.842 1.00 29.41 C ATOM 1072 C LEU A 247 -9.829 6.166 30.701 1.00 34.27 C ATOM 1073 O LEU A 247 -10.634 6.087 31.627 1.00 37.07 O ATOM 1074 CB LEU A 247 -8.890 8.514 30.682 1.00 36.08 C ATOM 1075 CG LEU A 247 -7.758 9.463 31.075 1.00 41.42 C ATOM 1076 CD1 LEU A 247 -8.015 10.867 30.552 1.00 42.64 C ATOM 1077 CD2 LEU A 247 -7.569 9.476 32.584 1.00 40.28 C ATOM 1078 H LEU A 247 -7.513 7.211 28.958 1.00 0.00 H ATOM 1079 N GLN A 248 -9.987 5.514 29.546 1.00 27.66 N ATOM 1080 CA GLN A 248 -11.229 4.813 29.228 1.00 28.38 C ATOM 1081 C GLN A 248 -11.015 3.295 29.276 1.00 26.38 C ATOM 1082 O GLN A 248 -11.977 2.532 29.220 1.00 33.52 O ATOM 1083 CB GLN A 248 -11.747 5.286 27.868 1.00 33.78 C ATOM 1084 CG GLN A 248 -12.257 6.721 27.893 1.00 47.14 C ATOM 1085 CD GLN A 248 -12.130 7.414 26.558 1.00 65.22 C ATOM 1086 OE1 GLN A 248 -11.516 6.900 25.625 1.00 80.39 O ATOM 1087 NE2 GLN A 248 -12.709 8.600 26.461 1.00 44.56 N ATOM 1088 HE22 GLN A 248 -13.219 8.998 27.275 1.00 0.00 H ATOM 1089 HE21 GLN A 248 -12.654 9.134 25.570 1.00 0.00 H ATOM 1090 H GLN A 248 -9.208 5.505 28.857 1.00 0.00 H ATOM 1091 N LEU A 249 -9.756 2.865 29.393 1.00 23.98 N ATOM 1092 CA LEU A 249 -9.411 1.451 29.420 1.00 26.82 C ATOM 1093 C LEU A 249 -9.422 0.949 30.862 1.00 25.50 C ATOM 1094 O LEU A 249 -8.916 1.614 31.765 1.00 26.45 O ATOM 1095 CB LEU A 249 -8.029 1.264 28.786 1.00 31.00 C ATOM 1096 CG LEU A 249 -7.722 -0.139 28.270 1.00 41.12 C ATOM 1097 CD1 LEU A 249 -8.580 -0.468 27.056 1.00 44.78 C ATOM 1098 CD2 LEU A 249 -6.245 -0.279 27.933 1.00 42.28 C ATOM 1099 H LEU A 249 -8.993 3.567 29.468 1.00 0.00 H ATOM 1100 N PRO A 250 -10.021 -0.231 31.136 1.00 26.92 N ATOM 1101 CA PRO A 250 -9.940 -0.837 32.464 1.00 25.70 C ATOM 1102 C PRO A 250 -8.474 -1.077 32.858 1.00 26.25 C ATOM 1103 O PRO A 250 -7.668 -1.465 32.016 1.00 27.44 O ATOM 1104 CB PRO A 250 -10.703 -2.162 32.318 1.00 28.64 C ATOM 1105 CG PRO A 250 -11.606 -1.948 31.115 1.00 32.49 C ATOM 1106 CD PRO A 250 -10.830 -1.024 30.198 1.00 31.89 C ATOM 1107 N CYS A 251 -8.139 -0.850 34.133 1.00 28.95 N ATOM 1108 CA CYS A 251 -6.756 -1.001 34.593 1.00 26.18 C ATOM 1109 C CYS A 251 -6.500 -2.445 35.044 1.00 25.40 C ATOM 1110 O CYS A 251 -5.354 -2.849 35.236 1.00 28.33 O ATOM 1111 CB CYS A 251 -6.424 -0.007 35.701 1.00 29.76 C ATOM 1112 SG CYS A 251 -7.407 -0.218 37.206 1.00 27.75 S ATOM 1113 H CYS A 251 -8.874 -0.561 34.810 1.00 0.00 H ATOM 1114 N GLU A 252 -7.581 -3.220 35.189 1.00 27.13 N ATOM 1115 CA GLU A 252 -7.506 -4.626 35.576 1.00 28.63 C ATOM 1116 C GLU A 252 -8.474 -5.432 34.700 1.00 32.13 C ATOM 1117 O GLU A 252 -9.542 -4.941 34.337 1.00 36.57 O ATOM 1118 CB GLU A 252 -7.833 -4.782 37.063 1.00 31.06 C ATOM 1119 CG GLU A 252 -7.844 -6.225 37.534 1.00 32.26 C ATOM 1120 CD GLU A 252 -6.520 -6.953 37.373 1.00 41.47 C ATOM 1121 OE1 GLU A 252 -5.560 -6.593 38.080 1.00 36.28 O ATOM 1122 OE2 GLU A 252 -6.450 -7.872 36.532 1.00 40.68 O ATOM 1123 H GLU A 252 -8.518 -2.802 35.018 1.00 0.00 H ATOM 1124 N SER A 253 -8.083 -6.667 34.370 1.00 37.04 N ATOM 1125 CA SER A 253 -8.837 -7.514 33.443 1.00 50.09 C ATOM 1126 C SER A 253 -9.458 -8.702 34.185 1.00 48.46 C ATOM 1127 O SER A 253 -10.549 -9.157 33.836 1.00 50.58 O ATOM 1128 CB SER A 253 -7.960 -7.985 32.313 1.00 49.42 C ATOM 1129 OG SER A 253 -6.906 -8.803 32.798 1.00 63.22 O ATOM 1130 HG SER A 253 -6.354 -8.284 33.436 1.00 0.00 H ATOM 1131 H SER A 253 -7.208 -7.042 34.789 1.00 0.00 H ATOM 1132 N SER A 254 -8.743 -9.197 35.200 1.00 38.95 N ATOM 1133 CA SER A 254 -9.154 -10.368 35.967 1.00 48.89 C ATOM 1134 C SER A 254 -10.678 -10.380 36.132 1.00 51.25 C ATOM 1135 O SER A 254 -11.259 -9.458 36.706 1.00 46.01 O ATOM 1136 CB SER A 254 -8.460 -10.412 37.302 1.00 52.96 C ATOM 1137 OG SER A 254 -8.890 -11.534 38.058 1.00 54.10 O ATOM 1138 HG SER A 254 -8.421 -11.542 38.930 1.00 0.00 H ATOM 1139 H SER A 254 -7.852 -8.725 35.455 1.00 0.00 H ATOM 1140 N ALA A 255 -11.309 -11.442 35.621 1.00 58.80 N ATOM 1141 CA ALA A 255 -12.758 -11.604 35.659 1.00 58.06 C ATOM 1142 C ALA A 255 -13.243 -11.601 37.113 1.00 54.90 C ATOM 1143 O ALA A 255 -14.199 -10.905 37.456 1.00 56.66 O ATOM 1144 CB ALA A 255 -13.149 -12.878 34.951 1.00 60.44 C ATOM 1145 H ALA A 255 -10.739 -12.189 35.175 1.00 0.00 H ATOM 1146 N VAL A 256 -12.571 -12.393 37.954 1.00 49.94 N ATOM 1147 CA VAL A 256 -12.918 -12.525 39.364 1.00 61.71 C ATOM 1148 C VAL A 256 -12.967 -11.129 39.995 1.00 58.09 C ATOM 1149 O VAL A 256 -13.945 -10.771 40.651 1.00 58.87 O ATOM 1150 CB VAL A 256 -11.927 -13.442 40.107 1.00 60.87 C ATOM 1151 CG1 VAL A 256 -10.489 -13.190 39.681 1.00 61.45 C ATOM 1152 CG2 VAL A 256 -12.069 -13.318 41.617 1.00 65.91 C ATOM 1153 H VAL A 256 -11.766 -12.939 37.587 1.00 0.00 H ATOM 1154 N VAL A 257 -11.900 -10.352 39.779 1.00 53.94 N ATOM 1155 CA VAL A 257 -11.750 -9.027 40.371 1.00 36.72 C ATOM 1156 C VAL A 257 -12.875 -8.116 39.865 1.00 37.05 C ATOM 1157 O VAL A 257 -13.514 -7.419 40.648 1.00 38.21 O ATOM 1158 CB VAL A 257 -10.367 -8.424 40.060 1.00 40.02 C ATOM 1159 CG1 VAL A 257 -10.346 -6.921 40.291 1.00 35.72 C ATOM 1160 CG2 VAL A 257 -9.261 -9.107 40.849 1.00 46.36 C ATOM 1161 H VAL A 257 -11.143 -10.708 39.161 1.00 0.00 H ATOM 1162 N VAL A 258 -13.100 -8.129 38.546 1.00 43.48 N ATOM 1163 CA VAL A 258 -14.054 -7.230 37.896 1.00 43.40 C ATOM 1164 C VAL A 258 -15.457 -7.486 38.461 1.00 43.04 C ATOM 1165 O VAL A 258 -16.216 -6.548 38.708 1.00 47.49 O ATOM 1166 CB VAL A 258 -14.029 -7.391 36.364 1.00 50.08 C ATOM 1167 CG1 VAL A 258 -15.136 -6.591 35.694 1.00 45.78 C ATOM 1168 CG2 VAL A 258 -12.674 -7.019 35.782 1.00 52.33 C ATOM 1169 H VAL A 258 -12.574 -8.807 37.958 1.00 0.00 H ATOM 1170 N SER A 259 -15.787 -8.767 38.654 1.00 42.92 N ATOM 1171 CA SER A 259 -17.087 -9.179 39.171 1.00 58.15 C ATOM 1172 C SER A 259 -17.321 -8.543 40.547 1.00 55.65 C ATOM 1173 O SER A 259 -18.317 -7.853 40.763 1.00 56.48 O ATOM 1174 CB SER A 259 -17.158 -10.686 39.240 1.00 57.07 C ATOM 1175 H SER A 259 -15.087 -9.501 38.426 1.00 0.00 H ATOM 1176 N GLY A 260 -16.378 -8.780 41.465 1.00 58.07 N ATOM 1177 CA GLY A 260 -16.468 -8.310 42.843 1.00 54.36 C ATOM 1178 C GLY A 260 -16.669 -6.790 42.873 1.00 52.55 C ATOM 1179 O GLY A 260 -17.539 -6.287 43.583 1.00 55.86 O ATOM 1180 H GLY A 260 -15.539 -9.326 41.183 1.00 0.00 H ATOM 1181 N LEU A 261 -15.857 -6.070 42.094 1.00 48.47 N ATOM 1182 CA LEU A 261 -15.814 -4.612 42.137 1.00 47.00 C ATOM 1183 C LEU A 261 -17.114 -4.022 41.577 1.00 52.11 C ATOM 1184 O LEU A 261 -17.499 -2.910 41.937 1.00 46.57 O ATOM 1185 CB LEU A 261 -14.597 -4.123 41.346 1.00 52.71 C ATOM 1186 CG LEU A 261 -13.242 -4.445 41.975 1.00 53.51 C ATOM 1187 CD1 LEU A 261 -12.111 -3.793 41.194 1.00 55.92 C ATOM 1188 CD2 LEU A 261 -13.204 -4.009 43.433 1.00 48.76 C ATOM 1189 H LEU A 261 -15.230 -6.569 41.430 1.00 0.00 H ATOM 1190 N ARG A 262 -17.781 -4.776 40.697 1.00 61.55 N ATOM 1191 CA ARG A 262 -18.996 -4.312 40.028 1.00 63.99 C ATOM 1192 C ARG A 262 -20.105 -4.075 41.060 1.00 61.22 C ATOM 1193 O ARG A 262 -20.934 -3.176 40.899 1.00 54.90 O ATOM 1194 CB ARG A 262 -19.422 -5.314 38.982 1.00 65.62 C ATOM 1195 H ARG A 262 -17.422 -5.728 40.480 1.00 0.00 H ATOM 1196 N THR A 263 -20.098 -4.884 42.124 1.00 56.56 N ATOM 1197 CA THR A 263 -21.152 -4.884 43.132 1.00 49.64 C ATOM 1198 C THR A 263 -20.963 -3.705 44.096 1.00 49.22 C ATOM 1199 O THR A 263 -21.814 -3.461 44.952 1.00 43.55 O ATOM 1200 CB THR A 263 -21.177 -6.215 43.896 1.00 53.77 C ATOM 1201 OG1 THR A 263 -20.351 -6.084 45.053 1.00 54.61 O ATOM 1202 CG2 THR A 263 -20.706 -7.382 43.056 1.00 54.41 C ATOM 1203 HG1 THR A 263 -19.426 -5.870 44.774 1.00 0.00 H ATOM 1204 H THR A 263 -19.303 -5.545 42.238 1.00 0.00 H ATOM 1205 N LEU A 264 -19.846 -2.984 43.946 1.00 41.88 N ATOM 1206 CA LEU A 264 -19.497 -1.865 44.824 1.00 41.28 C ATOM 1207 C LEU A 264 -19.748 -0.528 44.118 1.00 47.59 C ATOM 1208 O LEU A 264 -20.059 0.473 44.765 1.00 34.67 O ATOM 1209 CB LEU A 264 -18.022 -1.977 45.220 1.00 40.10 C ATOM 1210 CG LEU A 264 -17.664 -3.148 46.131 1.00 33.47 C ATOM 1211 CD1 LEU A 264 -16.174 -3.152 46.427 1.00 36.31 C ATOM 1212 CD2 LEU A 264 -18.469 -3.099 47.422 1.00 32.98 C ATOM 1213 H LEU A 264 -19.197 -3.229 43.171 1.00 0.00 H ATOM 1214 N VAL A 265 -19.574 -0.516 42.792 1.00 46.21 N ATOM 1215 CA VAL A 265 -19.610 0.717 42.011 1.00 58.34 C ATOM 1216 C VAL A 265 -20.927 1.436 42.287 1.00 52.23 C ATOM 1217 O VAL A 265 -22.000 0.852 42.152 1.00 52.02 O ATOM 1218 CB VAL A 265 -19.419 0.445 40.507 1.00 54.28 C ATOM 1219 CG1 VAL A 265 -19.550 1.718 39.685 1.00 56.80 C ATOM 1220 CG2 VAL A 265 -18.091 -0.240 40.223 1.00 54.68 C ATOM 1221 H VAL A 265 -19.407 -1.417 42.300 1.00 0.00 H ATOM 1222 N PRO A 266 -20.879 2.725 42.695 1.00 58.19 N ATOM 1223 CA PRO A 266 -22.089 3.502 42.959 1.00 68.13 C ATOM 1224 C PRO A 266 -22.717 4.068 41.676 1.00 68.16 C ATOM 1225 O PRO A 266 -23.939 4.175 41.584 1.00 76.47 O ATOM 1226 CB PRO A 266 -21.571 4.628 43.866 1.00 63.72 C ATOM 1227 CG PRO A 266 -20.144 4.854 43.400 1.00 55.10 C ATOM 1228 CD PRO A 266 -19.650 3.497 42.936 1.00 57.24 C TER 1229 PRO A 266 HETATM 1230 CA CA A 1 -7.179 14.148 23.253 1.00 21.00 CA HETATM 1231 O HOH 2 -12.726 7.187 24.580 1.00 34.71 O HETATM 1232 O HOH 3 1.444 6.472 41.295 1.00 33.62 O HETATM 1233 O HOH 4 -11.235 1.297 20.306 1.00 42.67 O HETATM 1234 O HOH 5 -10.747 16.676 35.168 1.00 45.16 O HETATM 1235 O HOH 6 -7.754 -7.596 29.032 1.00 44.97 O HETATM 1236 O HOH 7 -10.111 7.179 22.913 1.00 35.10 O HETATM 1237 O HOH 8 11.261 23.010 23.417 1.00 42.80 O HETATM 1238 O HOH 9 -10.783 9.505 27.748 1.00 49.03 O HETATM 1239 O HOH 10 -2.477 23.729 30.377 1.00 51.61 O HETATM 1240 O HOH 11 -4.347 -7.337 27.682 1.00 37.36 O HETATM 1241 O HOH 12 2.117 -1.655 38.374 1.00 42.84 O HETATM 1242 O HOH 13 6.141 -4.885 34.291 1.00 38.35 O HETATM 1243 O HOH 14 10.723 18.500 31.821 1.00 41.04 O HETATM 1244 O HOH 15 21.883 7.450 21.249 1.00 40.97 O HETATM 1245 O HOH 16 10.679 -9.017 20.342 1.00 62.14 O HETATM 1246 O HOH 17 0.510 22.726 21.671 1.00 49.50 O HETATM 1247 O HOH 18 -4.272 -9.221 36.263 1.00 50.93 O HETATM 1248 O HOH 19 9.929 -4.446 19.003 1.00 50.19 O HETATM 1249 O HOH 20 -4.917 9.727 19.107 1.00 28.94 O HETATM 1250 O HOH 21 9.788 -5.423 30.555 1.00 57.75 O HETATM 1251 O HOH 22 18.774 12.405 20.869 1.00 47.71 O HETATM 1252 O HOH 23 -7.712 2.825 33.736 1.00 32.84 O HETATM 1253 O HOH 24 -6.225 13.552 45.503 1.00 45.61 O HETATM 1254 O HOH 25 17.005 11.132 28.038 1.00 26.51 O HETATM 1255 O HOH 26 14.123 -3.450 21.044 1.00 32.96 O HETATM 1256 O HOH 27 2.753 4.393 38.828 1.00 31.82 O HETATM 1257 O HOH 28 8.886 18.106 15.015 1.00 44.78 O HETATM 1258 O HOH 29 -5.436 8.923 15.575 1.00 28.35 O HETATM 1259 O HOH 30 5.271 -1.936 37.237 1.00 38.20 O HETATM 1260 O HOH 31 20.425 6.491 17.931 1.00 22.69 O HETATM 1261 O HOH 32 6.645 -6.640 21.626 1.00 36.56 O HETATM 1262 O HOH 33 9.622 5.307 33.688 1.00 24.87 O HETATM 1263 O HOH 34 14.398 0.002 32.821 1.00 37.80 O HETATM 1264 O HOH 35 -10.021 -1.100 23.903 1.00 46.76 O HETATM 1265 O HOH 36 -7.779 22.319 24.466 1.00 38.11 O HETATM 1266 O HOH 37 4.398 24.409 25.991 1.00 49.71 O HETATM 1267 O HOH 38 12.109 -1.356 31.488 1.00 27.82 O HETATM 1268 O HOH 39 20.444 6.863 26.808 1.00 51.35 O HETATM 1269 O HOH 40 8.195 7.854 35.337 1.00 30.44 O HETATM 1270 O HOH 41 18.694 5.612 30.103 1.00 35.21 O HETATM 1271 O HOH 42 -12.694 0.651 27.414 1.00 53.88 O HETATM 1272 O HOH 43 6.159 19.836 16.901 1.00 49.22 O HETATM 1273 O HOH 44 13.451 9.163 33.117 1.00 32.45 O HETATM 1274 O HOH 45 -5.182 -5.373 40.470 1.00 33.60 O HETATM 1275 O HOH 46 -5.617 -0.200 12.918 1.00 45.54 O HETATM 1276 O HOH 47 11.839 8.099 14.413 1.00 26.42 O HETATM 1277 O HOH 48 -8.337 1.575 13.347 1.00 38.93 O HETATM 1278 O HOH 49 -9.646 3.381 25.752 1.00 38.14 O HETATM 1279 O HOH 50 -8.527 3.947 33.122 1.00 41.38 O HETATM 1280 O HOH 51 -10.032 14.660 29.552 1.00 36.53 O HETATM 1281 O HOH 52 -11.634 7.950 33.357 1.00 51.47 O HETATM 1282 O HOH 53 -4.220 -2.958 14.199 1.00 55.20 O HETATM 1283 O HOH 54 -5.804 -3.203 15.363 1.00 54.83 O HETATM 1284 O HOH 55 20.599 12.398 25.531 1.00 47.45 O HETATM 1285 O HOH 56 3.938 18.676 16.188 1.00 46.14 O HETATM 1286 O HOH 57 10.397 14.242 33.512 1.00 38.49 O HETATM 1287 O HOH 58 -8.566 17.979 34.830 1.00 35.32 O HETATM 1288 O HOH 59 0.784 -6.234 37.027 1.00 44.13 O HETATM 1289 O HOH 60 9.486 2.930 37.973 1.00 39.50 O HETATM 1290 O HOH 61 8.466 -0.838 37.157 1.00 37.16 O HETATM 1291 O HOH 62 -3.231 7.391 11.358 1.00 54.63 O HETATM 1292 O HOH 63 -8.881 11.026 26.642 1.00 24.23 O HETATM 1293 O HOH 64 10.941 -3.788 37.210 1.00 57.15 O HETATM 1294 O HOH 65 -7.387 5.815 13.390 1.00 43.39 O HETATM 1295 O HOH 66 -9.339 7.346 27.343 1.00 39.93 O HETATM 1296 O HOH 67 3.401 13.913 45.913 1.00 44.79 O HETATM 1297 O HOH 68 4.275 7.459 17.827 1.00 22.59 O HETATM 1298 O HOH 69 -13.865 13.455 34.786 1.00 50.92 O HETATM 1299 O HOH 70 6.482 -5.220 31.696 1.00 38.97 O HETATM 1300 O HOH 71 -9.972 4.918 19.131 1.00 42.70 O HETATM 1301 O HOH 72 9.471 -5.973 26.035 1.00 52.19 O HETATM 1302 O HOH 73 -11.727 -5.406 32.618 1.00 42.78 O HETATM 1303 O HOH 74 -5.919 16.055 22.348 1.00 20.10 O HETATM 1304 O HOH 75 -4.983 13.358 23.709 1.00 20.78 O HETATM 1305 O HOH 76 3.874 -6.739 15.245 1.00 38.13 O HETATM 1306 O HOH 77 13.947 -1.860 29.421 1.00 31.61 O HETATM 1307 O HOH 78 -4.988 4.063 8.924 1.00 47.92 O HETATM 1308 O HOH 79 7.803 11.038 13.169 1.00 42.50 O HETATM 1309 O HOH 80 -1.624 -6.200 21.406 1.00 44.16 O HETATM 1310 O HOH 81 -12.759 15.854 27.223 1.00 40.89 O HETATM 1311 O HOH 82 13.170 15.549 17.862 1.00 32.92 O HETATM 1312 O HOH 83 -11.805 6.643 17.767 1.00 40.93 O HETATM 1313 O HOH 84 -4.721 22.935 23.179 1.00 31.62 O HETATM 1314 O HOH 85 -8.718 13.315 25.013 1.00 22.61 O HETATM 1315 O HOH 86 -1.565 10.815 17.917 1.00 28.58 O HETATM 1316 O HOH 87 15.609 12.158 30.293 1.00 32.82 O HETATM 1317 O HOH 88 -3.118 15.291 24.308 1.00 20.90 O HETATM 1318 O HOH 89 -6.387 9.543 44.847 1.00 36.11 O HETATM 1319 O HOH 90 -2.977 -7.360 39.138 1.00 53.26 O HETATM 1320 O HOH 91 10.776 4.612 36.243 1.00 28.49 O HETATM 1321 O HOH 92 0.579 -4.834 9.333 1.00 52.30 O HETATM 1322 O HOH 93 -0.525 -8.003 28.469 1.00 33.54 O HETATM 1323 O HOH 94 12.726 -5.993 24.592 1.00 50.08 O HETATM 1324 O HOH 95 1.365 0.909 40.440 1.00 49.54 O HETATM 1325 O HOH 96 -11.938 14.013 37.569 1.00 59.17 O HETATM 1326 O HOH 97 -2.848 -4.896 9.948 1.00 53.64 O HETATM 1327 O HOH 98 11.856 22.944 26.085 1.00 43.97 O HETATM 1328 O HOH 99 11.652 3.636 39.780 1.00 54.15 O HETATM 1329 O HOH 100 -8.900 21.008 31.988 1.00 59.75 O HETATM 1330 O HOH 101 -12.616 -7.715 32.231 1.00 52.13 O HETATM 1331 O HOH 102 5.989 9.300 13.734 1.00 49.39 O HETATM 1332 O HOH 103 -1.857 -10.205 27.694 1.00 57.15 O HETATM 1333 O HOH 104 -0.861 22.286 24.522 1.00 51.65 O HETATM 1334 O HOH 105 -10.354 -5.057 30.066 1.00 39.70 O HETATM 1335 O HOH 106 11.396 9.600 35.061 1.00 43.20 O HETATM 1336 O HOH 107 -1.408 -8.864 35.560 1.00 47.02 O HETATM 1337 O HOH 108 -0.906 13.814 17.991 1.00 33.26 O HETATM 1338 O HOH 109 19.216 5.918 33.337 1.00 66.91 O HETATM 1339 O HOH 110 0.807 -3.586 37.885 1.00 49.48 O HETATM 1340 O HOH 111 -9.203 2.696 20.111 1.00 37.42 O HETATM 1341 O HOH 112 13.591 7.298 16.580 1.00 23.19 O HETATM 1342 O HOH 113 15.368 14.882 29.729 1.00 54.35 O HETATM 1343 O HOH 114 -1.568 23.485 25.726 1.00 63.12 O HETATM 1344 O HOH 115 3.694 -1.430 37.837 1.00 51.09 O HETATM 1345 O HOH 116 -8.557 17.918 22.173 1.00 36.19 O HETATM 1346 O HOH 117 23.586 7.927 23.574 1.00 35.25 O HETATM 1347 O HOH 118 -5.358 -11.325 34.658 1.00 57.27 O HETATM 1348 O HOH 119 -5.959 7.183 11.646 1.00 44.16 O HETATM 1349 O HOH 120 -9.614 18.738 32.408 1.00 43.14 O HETATM 1350 O HOH 121 3.390 2.333 40.198 1.00 43.34 O HETATM 1351 O HOH 122 16.814 1.023 28.492 1.00 52.32 O HETATM 1352 O HOH 123 19.367 7.515 28.474 1.00 44.31 O HETATM 1353 O HOH 124 -9.741 4.464 20.851 1.00 49.75 O HETATM 1354 O HOH 125 5.258 -7.023 30.461 1.00 58.10 O HETATM 1355 O HOH 126 21.500 12.220 27.962 1.00 49.13 O HETATM 1356 O HOH 127 -12.051 10.704 30.003 1.00 55.18 O HETATM 1357 O HOH 128 17.935 13.380 26.570 1.00 36.16 O HETATM 1358 O HOH 129 -10.025 4.374 22.525 1.00 53.20 O HETATM 1359 O HOH 130 15.253 -5.958 20.789 1.00 45.74 O HETATM 1360 O HOH 131 10.547 -7.694 24.141 1.00 54.13 O HETATM 1361 O HOH 132 18.613 8.252 33.245 1.00 58.23 O HETATM 1362 O HOH 133 5.448 -8.684 20.790 1.00 47.77 O HETATM 1363 O HOH 134 -11.863 -3.591 28.001 1.00 44.43 O HETATM 1364 O HOH 135 6.394 -12.775 14.094 1.00 63.54 O HETATM 1365 O HOH 136 21.816 -8.161 27.466 1.00 64.03 O HETATM 1366 O HOH 137 0.901 1.362 10.316 1.00 39.11 O HETATM 1367 O HOH 138 17.929 0.645 25.874 1.00 44.19 O HETATM 1368 O HOH 139 1.802 7.185 18.224 1.00 57.27 O HETATM 1369 O HOH 140 15.515 -0.608 17.686 1.00 37.79 O HETATM 1370 O HOH 141 1.719 6.312 18.116 1.00 23.80 O HETATM 1371 O HOH 142 8.015 0.578 13.976 1.00 34.68 O HETATM 1372 O HOH 143 19.016 -7.474 23.124 1.00 56.55 O HETATM 1373 O HOH 144 5.466 7.290 15.337 1.00 28.77 O HETATM 1374 O HOH 145 5.224 7.099 10.265 1.00 46.37 O HETATM 1375 O HOH 146 6.930 1.762 19.210 1.00 28.14 O HETATM 1376 O HOH 147 22.055 -7.188 29.429 1.00 60.39 O HETATM 1377 O HOH 148 25.047 -5.554 26.610 1.00 64.47 O HETATM 1378 O HOH 149 14.086 -3.070 18.419 1.00 42.52 O HETATM 1379 O HOH 150 25.983 -8.748 26.271 1.00 60.97 O HETATM 1380 N PHE A 151 22.052 -5.678 26.857 1.00 0.24 N HETATM 1381 CA PHE A 151 21.551 -4.381 26.314 1.00 0.07 C HETATM 1382 C PHE A 151 20.432 -4.643 25.300 1.00 0.23 C HETATM 1383 O PHE A 151 20.567 -5.491 24.416 1.00 -0.39 O HETATM 1384 N PHE A 151 19.330 -3.900 25.443 1.00 -0.26 N HETATM 1385 CA PHE A 151 18.214 -3.962 24.512 1.00 0.13 C HETATM 1386 C PHE A 151 17.985 -2.567 23.938 1.00 0.21 C HETATM 1387 O PHE A 151 17.681 -1.630 24.675 1.00 -0.39 O HETATM 1388 N PHE A 151 18.122 -2.386 22.607 1.00 -0.25 N HETATM 1389 CA PHE A 151 17.907 -1.080 21.989 1.00 0.13 C HETATM 1390 C PHE A 151 16.450 -0.636 22.169 1.00 0.20 C HETATM 1391 O PHE A 151 15.559 -1.473 22.312 1.00 -0.39 O HETATM 1392 N PHE A 151 16.233 0.680 22.174 1.00 -0.26 N HETATM 1393 CA PHE A 151 14.892 1.233 22.174 1.00 0.13 C HETATM 1394 C PHE A 151 14.220 0.830 20.868 1.00 0.21 C HETATM 1395 O PHE A 151 14.791 1.001 19.793 1.00 -0.39 O HETATM 1396 N PHE A 151 12.980 0.299 20.917 1.00 -0.25 N HETATM 1397 CA PHE A 151 12.248 -0.031 19.699 1.00 0.13 C HETATM 1398 C PHE A 151 11.975 1.248 18.917 1.00 0.21 C HETATM 1399 O PHE A 151 11.873 2.323 19.503 1.00 -0.39 O HETATM 1400 N PHE A 151 11.866 1.168 17.576 1.00 -0.25 N HETATM 1401 CA PHE A 151 11.523 2.334 16.765 1.00 0.13 C HETATM 1402 C PHE A 151 10.068 2.726 16.998 1.00 0.21 C HETATM 1403 O PHE A 151 9.252 1.897 17.391 1.00 -0.39 O HETATM 1404 N PHE A 151 9.700 4.005 16.777 1.00 -0.25 N HETATM 1405 CA PHE A 151 8.306 4.424 16.888 1.00 0.13 C HETATM 1406 C PHE A 151 7.470 3.726 15.823 1.00 0.21 C HETATM 1407 O PHE A 151 7.998 3.264 14.814 1.00 -0.39 O HETATM 1408 N PHE A 151 6.139 3.609 16.014 1.00 -0.25 N HETATM 1409 CA PHE A 151 5.288 2.986 15.005 1.00 0.13 C HETATM 1410 C PHE A 151 5.370 3.741 13.670 1.00 0.20 C HETATM 1411 O PHE A 151 5.487 4.968 13.653 1.00 -0.39 O HETATM 1412 N PHE A 151 5.337 2.979 12.573 1.00 -0.26 N HETATM 1413 CA PHE A 151 5.232 3.515 11.224 1.00 0.13 C HETATM 1414 C PHE A 151 3.749 3.673 10.879 1.00 0.20 C HETATM 1415 O PHE A 151 2.980 2.719 10.986 1.00 -0.39 O HETATM 1416 N PHE A 151 3.373 4.890 10.482 1.00 -0.26 N HETATM 1417 CA PHE A 151 2.016 5.203 10.075 1.00 0.14 C HETATM 1418 C PHE A 151 1.869 4.918 8.584 1.00 0.21 C HETATM 1419 O PHE A 151 2.809 5.111 7.816 1.00 -0.39 O HETATM 1420 N PHE A 151 0.692 4.431 8.132 1.00 -0.25 N HETATM 1421 CA PHE A 151 0.460 4.193 6.708 1.00 0.13 C HETATM 1422 C PHE A 151 0.550 5.496 5.920 1.00 0.21 C HETATM 1423 O PHE A 151 0.089 6.538 6.381 1.00 -0.39 O HETATM 1424 N PHE A 151 1.164 5.483 4.716 1.00 -0.25 N HETATM 1425 CA PHE A 151 1.245 6.683 3.884 1.00 0.13 C HETATM 1426 C PHE A 151 -0.108 7.027 3.269 1.00 0.21 C HETATM 1427 O PHE A 151 -0.825 6.143 2.805 1.00 -0.39 O HETATM 1428 N PHE A 151 -0.503 8.320 3.258 1.00 -0.26 N HETATM 1429 CA PHE A 151 -1.789 8.730 2.693 1.00 0.10 C HETATM 1430 C PHE A 151 -1.777 8.741 1.156 1.00 0.06 C HETATM 1431 O PHE A 151 -2.748 8.315 0.531 1.00 -0.57 O HETATM 1432 OXT PHE A 151 -0.796 9.176 0.552 1.00 -0.57 O HETATM 1433 CB PHE A 151 -1.974 10.147 3.253 1.00 -0.02 C HETATM 1434 CG PHE A 151 -0.560 10.666 3.417 1.00 -0.03 C HETATM 1435 CD PHE A 151 0.266 9.453 3.796 1.00 0.04 C HETATM 1436 H104 PHE A 151 1.265 9.501 3.338 1.00 0.05 H HETATM 1437 H105 PHE A 151 0.367 9.374 4.888 1.00 0.05 H HETATM 1438 H102 PHE A 151 -0.517 11.425 4.212 1.00 0.03 H HETATM 1439 H103 PHE A 151 -0.197 11.101 2.474 1.00 0.03 H HETATM 1440 H100 PHE A 151 -2.495 10.119 4.221 1.00 0.03 H HETATM 1441 H101 PHE A 151 -2.541 10.774 2.549 1.00 0.03 H HETATM 1442 H99 PHE A 151 -2.593 8.064 3.040 1.00 0.07 H HETATM 1443 CB PHE A 151 2.272 6.300 2.808 1.00 -0.01 C HETATM 1444 CG PHE A 151 2.148 4.792 2.698 1.00 -0.03 C HETATM 1445 CD PHE A 151 1.811 4.317 4.097 1.00 0.04 C HETATM 1446 H97 PHE A 151 1.124 3.459 4.065 1.00 0.05 H HETATM 1447 H98 PHE A 151 2.722 4.037 4.646 1.00 0.05 H HETATM 1448 H95 PHE A 151 3.097 4.351 2.359 1.00 0.03 H HETATM 1449 H96 PHE A 151 1.346 4.521 1.995 1.00 0.03 H HETATM 1450 H93 PHE A 151 3.288 6.587 3.118 1.00 0.03 H HETATM 1451 H94 PHE A 151 2.031 6.782 1.849 1.00 0.03 H HETATM 1452 H92 PHE A 151 1.601 7.541 4.473 1.00 0.08 H HETATM 1453 CB PHE A 151 -0.955 3.594 6.653 1.00 -0.01 C HETATM 1454 CG PHE A 151 -1.606 4.024 7.955 1.00 -0.03 C HETATM 1455 CD PHE A 151 -0.475 4.095 8.961 1.00 0.04 C HETATM 1456 H90 PHE A 151 -0.664 4.877 9.712 1.00 0.05 H HETATM 1457 H91 PHE A 151 -0.335 3.128 9.466 1.00 0.05 H HETATM 1458 H88 PHE A 151 -2.358 3.287 8.272 1.00 0.03 H HETATM 1459 H89 PHE A 151 -2.083 5.009 7.841 1.00 0.03 H HETATM 1460 H86 PHE A 151 -0.910 2.497 6.586 1.00 0.03 H HETATM 1461 H87 PHE A 151 -1.511 3.991 5.791 1.00 0.03 H HETATM 1462 H85 PHE A 151 1.196 3.479 6.309 1.00 0.08 H HETATM 1463 CB PHE A 151 1.690 6.657 10.423 1.00 0.02 C HETATM 1464 CG PHE A 151 1.364 6.881 11.877 1.00 -0.05 C HETATM 1465 CD1 PHE A 151 2.364 6.950 12.834 1.00 -0.07 C HETATM 1466 CE1 PHE A 151 2.069 7.146 14.173 1.00 -0.04 C HETATM 1467 CZ PHE A 151 0.752 7.271 14.577 1.00 0.08 C HETATM 1468 CE2 PHE A 151 -0.260 7.201 13.637 1.00 -0.04 C HETATM 1469 CD2 PHE A 151 0.052 7.001 12.303 1.00 -0.07 C HETATM 1470 H81 PHE A 151 -0.749 6.937 11.575 1.00 0.05 H HETATM 1471 H83 PHE A 151 -1.295 7.302 13.944 1.00 0.05 H HETATM 1472 OH PHE A 151 0.444 7.469 15.893 1.00 -0.34 O HETATM 1473 H84 PHE A 151 1.244 7.493 16.404 1.00 0.25 H HETATM 1474 H82 PHE A 151 2.869 7.201 14.903 1.00 0.05 H HETATM 1475 H80 PHE A 151 3.399 6.848 12.528 1.00 0.05 H HETATM 1476 H78 PHE A 151 0.824 6.971 9.822 1.00 0.05 H HETATM 1477 H79 PHE A 151 2.560 7.278 10.164 1.00 0.05 H HETATM 1478 H77 PHE A 151 1.319 4.553 10.624 1.00 0.08 H HETATM 1479 H76 PHE A 151 4.057 5.619 10.464 1.00 0.19 H HETATM 1480 CB PHE A 151 5.917 2.560 10.241 1.00 -0.01 C HETATM 1481 CG PHE A 151 7.436 2.686 10.143 1.00 -0.04 C HETATM 1482 CD1 PHE A 151 8.007 1.620 9.221 1.00 -0.06 C HETATM 1483 H70 PHE A 151 9.100 1.730 9.166 1.00 0.02 H HETATM 1484 H71 PHE A 151 7.576 1.735 8.216 1.00 0.02 H HETATM 1485 H72 PHE A 151 7.758 0.623 9.614 1.00 0.02 H HETATM 1486 CD2 PHE A 151 7.837 4.074 9.667 1.00 -0.06 C HETATM 1487 H73 PHE A 151 7.415 4.830 10.345 1.00 0.02 H HETATM 1488 H74 PHE A 151 7.452 4.238 8.650 1.00 0.02 H HETATM 1489 H75 PHE A 151 8.934 4.157 9.662 1.00 0.02 H HETATM 1490 H69 PHE A 151 7.857 2.533 11.148 1.00 0.03 H HETATM 1491 H67 PHE A 151 5.497 2.746 9.241 1.00 0.03 H HETATM 1492 H68 PHE A 151 5.683 1.531 10.551 1.00 0.03 H HETATM 1493 H66 PHE A 151 5.725 4.497 11.177 1.00 0.08 H HETATM 1494 H65 PHE A 151 5.387 1.986 12.685 1.00 0.19 H HETATM 1495 CB PHE A 151 3.875 3.045 15.608 1.00 -0.01 C HETATM 1496 CG PHE A 151 3.958 4.100 16.696 1.00 -0.03 C HETATM 1497 CD PHE A 151 5.389 4.063 17.193 1.00 0.04 C HETATM 1498 H63 PHE A 151 5.722 5.061 17.513 1.00 0.05 H HETATM 1499 H64 PHE A 151 5.499 3.355 18.028 1.00 0.05 H HETATM 1500 H61 PHE A 151 3.261 3.863 17.514 1.00 0.03 H HETATM 1501 H62 PHE A 151 3.720 5.093 16.287 1.00 0.03 H HETATM 1502 H59 PHE A 151 3.595 2.070 16.035 1.00 0.03 H HETATM 1503 H60 PHE A 151 3.140 3.335 14.843 1.00 0.03 H HETATM 1504 H58 PHE A 151 5.589 1.940 14.842 1.00 0.08 H HETATM 1505 CB PHE A 151 8.352 5.946 16.684 1.00 -0.01 C HETATM 1506 CG PHE A 151 9.656 6.198 15.954 1.00 -0.03 C HETATM 1507 CD PHE A 151 10.602 5.106 16.411 1.00 0.04 C HETATM 1508 H56 PHE A 151 11.279 4.806 15.598 1.00 0.05 H HETATM 1509 H57 PHE A 151 11.193 5.435 17.278 1.00 0.05 H HETATM 1510 H54 PHE A 151 10.057 7.188 16.217 1.00 0.03 H HETATM 1511 H55 PHE A 151 9.503 6.142 14.866 1.00 0.03 H HETATM 1512 H52 PHE A 151 8.343 6.468 17.652 1.00 0.03 H HETATM 1513 H53 PHE A 151 7.497 6.282 16.078 1.00 0.03 H HETATM 1514 H51 PHE A 151 7.902 4.183 17.882 1.00 0.08 H HETATM 1515 CB PHE A 151 11.757 1.851 15.329 1.00 -0.01 C HETATM 1516 CG PHE A 151 11.523 0.355 15.404 1.00 -0.03 C HETATM 1517 CD PHE A 151 12.030 -0.052 16.773 1.00 0.04 C HETATM 1518 H49 PHE A 151 11.431 -0.877 17.185 1.00 0.05 H HETATM 1519 H50 PHE A 151 13.087 -0.353 16.727 1.00 0.05 H HETATM 1520 H47 PHE A 151 12.084 -0.165 14.614 1.00 0.03 H HETATM 1521 H48 PHE A 151 10.452 0.126 15.304 1.00 0.03 H HETATM 1522 H45 PHE A 151 12.785 2.070 15.005 1.00 0.03 H HETATM 1523 H46 PHE A 151 11.045 2.324 14.636 1.00 0.03 H HETATM 1524 H44 PHE A 151 12.175 3.187 17.001 1.00 0.08 H HETATM 1525 CB PHE A 151 10.951 -0.684 20.199 1.00 -0.01 C HETATM 1526 CG PHE A 151 10.795 -0.178 21.621 1.00 -0.03 C HETATM 1527 CD PHE A 151 12.203 0.040 22.137 1.00 0.04 C HETATM 1528 H42 PHE A 151 12.243 0.902 22.819 1.00 0.05 H HETATM 1529 H43 PHE A 151 12.574 -0.856 22.657 1.00 0.05 H HETATM 1530 H40 PHE A 151 10.272 -0.923 22.238 1.00 0.03 H HETATM 1531 H41 PHE A 151 10.232 0.767 21.632 1.00 0.03 H HETATM 1532 H38 PHE A 151 11.037 -1.780 20.184 1.00 0.03 H HETATM 1533 H39 PHE A 151 10.096 -0.374 19.580 1.00 0.03 H HETATM 1534 H37 PHE A 151 12.817 -0.733 19.072 1.00 0.08 H HETATM 1535 CB PHE A 151 14.917 2.763 22.340 1.00 -0.01 C HETATM 1536 CG1 PHE A 151 13.530 3.371 22.190 1.00 -0.06 C HETATM 1537 H31 PHE A 151 13.592 4.462 22.315 1.00 0.02 H HETATM 1538 H32 PHE A 151 12.861 2.952 22.956 1.00 0.02 H HETATM 1539 H33 PHE A 151 13.134 3.139 21.190 1.00 0.02 H HETATM 1540 CG2 PHE A 151 15.545 3.173 23.661 1.00 -0.06 C HETATM 1541 H34 PHE A 151 16.545 2.723 23.747 1.00 0.02 H HETATM 1542 H35 PHE A 151 14.913 2.824 24.491 1.00 0.02 H HETATM 1543 H36 PHE A 151 15.632 4.269 23.701 1.00 0.02 H HETATM 1544 H30 PHE A 151 15.545 3.170 21.534 1.00 0.03 H HETATM 1545 H29 PHE A 151 14.328 0.803 23.015 1.00 0.08 H HETATM 1546 H28 PHE A 151 17.016 1.302 22.178 1.00 0.19 H HETATM 1547 CB PHE A 151 18.235 -1.306 20.506 1.00 -0.01 C HETATM 1548 CG PHE A 151 18.057 -2.800 20.304 1.00 -0.03 C HETATM 1549 CD PHE A 151 18.456 -3.427 21.624 1.00 0.04 C HETATM 1550 H26 PHE A 151 17.882 -4.346 21.813 1.00 0.05 H HETATM 1551 H27 PHE A 151 19.532 -3.656 21.642 1.00 0.05 H HETATM 1552 H24 PHE A 151 18.707 -3.160 19.493 1.00 0.03 H HETATM 1553 H25 PHE A 151 17.009 -3.035 20.066 1.00 0.03 H HETATM 1554 H22 PHE A 151 19.270 -1.004 20.286 1.00 0.03 H HETATM 1555 H23 PHE A 151 17.543 -0.741 19.864 1.00 0.03 H HETATM 1556 H21 PHE A 151 18.578 -0.325 22.425 1.00 0.08 H HETATM 1557 CB PHE A 151 16.938 -4.501 25.186 1.00 -0.01 C HETATM 1558 CG1 PHE A 151 15.827 -4.727 24.173 1.00 -0.06 C HETATM 1559 H15 PHE A 151 14.934 -5.111 24.688 1.00 0.02 H HETATM 1560 H16 PHE A 151 16.159 -5.458 23.421 1.00 0.02 H HETATM 1561 H17 PHE A 151 15.584 -3.776 23.677 1.00 0.02 H HETATM 1562 CG2 PHE A 151 17.212 -5.772 25.977 1.00 -0.06 C HETATM 1563 H18 PHE A 151 18.018 -5.586 26.703 1.00 0.02 H HETATM 1564 H19 PHE A 151 17.517 -6.574 25.288 1.00 0.02 H HETATM 1565 H20 PHE A 151 16.300 -6.075 26.512 1.00 0.02 H HETATM 1566 H14 PHE A 151 16.591 -3.736 25.896 1.00 0.03 H HETATM 1567 H13 PHE A 151 18.480 -4.643 23.690 1.00 0.08 H HETATM 1568 H12 PHE A 151 19.270 -3.276 26.222 1.00 0.19 H HETATM 1569 CB PHE A 151 22.692 -3.591 25.666 1.00 0.04 C HETATM 1570 CG PHE A 151 22.253 -2.362 24.912 1.00 -0.04 C HETATM 1571 CD1 PHE A 151 22.138 -1.139 25.553 1.00 -0.06 C HETATM 1572 CE1 PHE A 151 21.733 -0.010 24.859 1.00 -0.07 C HETATM 1573 CZ PHE A 151 21.439 -0.091 23.518 1.00 -0.07 C HETATM 1574 CE2 PHE A 151 21.547 -1.298 22.868 1.00 -0.07 C HETATM 1575 CD2 PHE A 151 21.952 -2.428 23.561 1.00 -0.06 C HETATM 1576 H8 PHE A 151 22.034 -3.375 23.040 1.00 0.06 H HETATM 1577 H10 PHE A 151 21.315 -1.366 21.811 1.00 0.06 H HETATM 1578 H11 PHE A 151 21.123 0.793 22.976 1.00 0.06 H HETATM 1579 H9 PHE A 151 21.648 0.940 25.375 1.00 0.06 H HETATM 1580 H7 PHE A 151 22.367 -1.065 26.610 1.00 0.06 H HETATM 1581 H5 PHE A 151 23.215 -4.256 24.963 1.00 0.05 H HETATM 1582 H6 PHE A 151 23.386 -3.277 26.459 1.00 0.05 H HETATM 1583 H4 PHE A 151 21.142 -3.786 27.144 1.00 0.11 H HETATM 1584 H1 PHE A 151 22.788 -5.502 27.523 1.00 0.20 H HETATM 1585 H2 PHE A 151 22.410 -6.242 26.102 1.00 0.20 H HETATM 1586 H3 PHE A 151 21.297 -6.166 27.312 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 8 1 CONECT 9 1 CONECT 154 153 1230 CONECT 1050 1049 1230 CONECT 1230 154 1050 CONECT 1380 1381 1584 1585 1586 CONECT 1381 1380 1382 1569 1583 CONECT 1382 1381 1383 1384 CONECT 1383 1382 CONECT 1384 1382 1385 1568 CONECT 1385 1384 1386 1557 1567 CONECT 1386 1385 1387 1388 CONECT 1387 1386 CONECT 1388 1386 1389 1549 CONECT 1389 1388 1390 1547 1556 CONECT 1390 1389 1391 1392 CONECT 1391 1390 CONECT 1392 1390 1393 1546 CONECT 1393 1392 1394 1535 1545 CONECT 1394 1393 1395 1396 CONECT 1395 1394 CONECT 1396 1394 1397 1527 CONECT 1397 1396 1398 1525 1534 CONECT 1398 1397 1399 1400 CONECT 1399 1398 CONECT 1400 1398 1401 1517 CONECT 1401 1400 1402 1515 1524 CONECT 1402 1401 1403 1404 CONECT 1403 1402 CONECT 1404 1402 1405 1507 CONECT 1405 1404 1406 1505 1514 CONECT 1406 1405 1407 1408 CONECT 1407 1406 CONECT 1408 1406 1409 1497 CONECT 1409 1408 1410 1495 1504 CONECT 1410 1409 1411 1412 CONECT 1411 1410 CONECT 1412 1410 1413 1494 CONECT 1413 1412 1414 1480 1493 CONECT 1414 1413 1415 1416 CONECT 1415 1414 CONECT 1416 1414 1417 1479 CONECT 1417 1416 1418 1463 1478 CONECT 1418 1417 1419 1420 CONECT 1419 1418 CONECT 1420 1418 1421 1455 CONECT 1421 1420 1422 1453 1462 CONECT 1422 1421 1423 1424 CONECT 1423 1422 CONECT 1424 1422 1425 1445 CONECT 1425 1424 1426 1443 1452 CONECT 1426 1425 1427 1428 CONECT 1427 1426 CONECT 1428 1426 1429 1435 CONECT 1429 1428 1430 1433 1442 CONECT 1430 1429 1431 1432 CONECT 1431 1430 CONECT 1432 1430 CONECT 1433 1429 1434 1440 1441 CONECT 1434 1433 1435 1438 1439 CONECT 1435 1428 1434 1436 1437 CONECT 1436 1435 CONECT 1437 1435 CONECT 1438 1434 CONECT 1439 1434 CONECT 1440 1433 CONECT 1441 1433 CONECT 1442 1429 CONECT 1443 1425 1444 1450 1451 CONECT 1444 1443 1445 1448 1449 CONECT 1445 1424 1444 1446 1447 CONECT 1446 1445 CONECT 1447 1445 CONECT 1448 1444 CONECT 1449 1444 CONECT 1450 1443 CONECT 1451 1443 CONECT 1452 1425 CONECT 1453 1421 1454 1460 1461 CONECT 1454 1453 1455 1458 1459 CONECT 1455 1420 1454 1456 1457 CONECT 1456 1455 CONECT 1457 1455 CONECT 1458 1454 CONECT 1459 1454 CONECT 1460 1453 CONECT 1461 1453 CONECT 1462 1421 CONECT 1463 1417 1464 1476 1477 CONECT 1464 1463 1465 1469 CONECT 1465 1464 1466 1475 CONECT 1466 1465 1467 1474 CONECT 1467 1466 1468 1472 CONECT 1468 1467 1469 1471 CONECT 1469 1464 1468 1470 CONECT 1470 1469 CONECT 1471 1468 CONECT 1472 1467 1473 CONECT 1473 1472 CONECT 1474 1466 CONECT 1475 1465 CONECT 1476 1463 CONECT 1477 1463 CONECT 1478 1417 CONECT 1479 1416 CONECT 1480 1413 1481 1491 1492 CONECT 1481 1480 1482 1486 1490 CONECT 1482 1481 1483 1484 1485 CONECT 1483 1482 CONECT 1484 1482 CONECT 1485 1482 CONECT 1486 1481 1487 1488 1489 CONECT 1487 1486 CONECT 1488 1486 CONECT 1489 1486 CONECT 1490 1481 CONECT 1491 1480 CONECT 1492 1480 CONECT 1493 1413 CONECT 1494 1412 CONECT 1495 1409 1496 1502 1503 CONECT 1496 1495 1497 1500 1501 CONECT 1497 1408 1496 1498 1499 CONECT 1498 1497 CONECT 1499 1497 CONECT 1500 1496 CONECT 1501 1496 CONECT 1502 1495 CONECT 1503 1495 CONECT 1504 1409 CONECT 1505 1405 1506 1512 1513 CONECT 1506 1505 1507 1510 1511 CONECT 1507 1404 1506 1508 1509 CONECT 1508 1507 CONECT 1509 1507 CONECT 1510 1506 CONECT 1511 1506 CONECT 1512 1505 CONECT 1513 1505 CONECT 1514 1405 CONECT 1515 1401 1516 1522 1523 CONECT 1516 1515 1517 1520 1521 CONECT 1517 1400 1516 1518 1519 CONECT 1518 1517 CONECT 1519 1517 CONECT 1520 1516 CONECT 1521 1516 CONECT 1522 1515 CONECT 1523 1515 CONECT 1524 1401 CONECT 1525 1397 1526 1532 1533 CONECT 1526 1525 1527 1530 1531 CONECT 1527 1396 1526 1528 1529 CONECT 1528 1527 CONECT 1529 1527 CONECT 1530 1526 CONECT 1531 1526 CONECT 1532 1525 CONECT 1533 1525 CONECT 1534 1397 CONECT 1535 1393 1536 1540 1544 CONECT 1536 1535 1537 1538 1539 CONECT 1537 1536 CONECT 1538 1536 CONECT 1539 1536 CONECT 1540 1535 1541 1542 1543 CONECT 1541 1540 CONECT 1542 1540 CONECT 1543 1540 CONECT 1544 1535 CONECT 1545 1393 CONECT 1546 1392 CONECT 1547 1389 1548 1554 1555 CONECT 1548 1547 1549 1552 1553 CONECT 1549 1388 1548 1550 1551 CONECT 1550 1549 CONECT 1551 1549 CONECT 1552 1548 CONECT 1553 1548 CONECT 1554 1547 CONECT 1555 1547 CONECT 1556 1389 CONECT 1557 1385 1558 1562 1566 CONECT 1558 1557 1559 1560 1561 CONECT 1559 1558 CONECT 1560 1558 CONECT 1561 1558 CONECT 1562 1557 1563 1564 1565 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1562 CONECT 1566 1557 CONECT 1567 1385 CONECT 1568 1384 CONECT 1569 1381 1570 1581 1582 CONECT 1570 1569 1571 1575 CONECT 1571 1570 1572 1580 CONECT 1572 1571 1573 1579 CONECT 1573 1572 1574 1578 CONECT 1574 1573 1575 1577 CONECT 1575 1570 1574 1576 CONECT 1576 1575 CONECT 1577 1574 CONECT 1578 1573 CONECT 1579 1572 CONECT 1580 1571 CONECT 1581 1569 CONECT 1582 1569 CONECT 1583 1381 CONECT 1584 1380 CONECT 1585 1380 CONECT 1586 1380 MASTER 0 0 0 0 0 0 0 0 1585 1 213 10 END
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1a37
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1eol
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1j7z
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PDBbind
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1j80
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1j81
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1jyc
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1kc5
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1kcs
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1klg
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PDBbind
15-mer
1klu
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15-mer
1kna
RCSB PDB
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1kne
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PDBbind
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1om9
RCSB PDB
PDBbind
15-mer
1t08
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PDBbind
15-mer
1t79
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PDBbind
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1t7f
RCSB PDB
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15-mer
1t7r
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1tet
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PDBbind
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1w70
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PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
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PDBbind
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2auc
RCSB PDB
PDBbind
15-mer
2bba
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2co0
RCSB PDB
PDBbind
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2d1x
RCSB PDB
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15-mer
2f6j
RCSB PDB
PDBbind
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2fsa
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PDBbind
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2fuu
RCSB PDB
PDBbind
15-mer
2jk9
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PDBbind
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2k00
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PDBbind
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2ksp
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15-mer
2kwn
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PDBbind
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2l11
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PDBbind
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2l12
RCSB PDB
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15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
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PDBbind
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2mwo
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PDBbind
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2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
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2pmc
RCSB PDB
PDBbind
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2rnw
RCSB PDB
PDBbind
15-mer
2rny
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PDBbind
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2vwf
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PDBbind
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2w0p
RCSB PDB
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15-mer
2xxn
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PDBbind
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2z5s
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PDBbind
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2z5t
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3b95
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PDBbind
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3btr
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PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
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PDBbind
15-mer
3dab
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PDBbind
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3fdt
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PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
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PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
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15-mer
3hqh
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3jpx
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3l3q
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15-mer
3l6f
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PDBbind
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3m17
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3o6l
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15-mer
3ql9
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3qlc
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PDBbind
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3qo2
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3qxd
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3r93
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3uig
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3uih
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3uij
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3wp0
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3wsy
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4b4n
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4bxu
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4cy1
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4dma
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4dx9
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4ezo
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4ft2
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PDBbind
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4gnf
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15-mer
4gng
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4hfz
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PDBbind
15-mer
4iur
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4iut
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4iuu
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4iuv
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4j8s
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4k0u
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PDBbind
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4n3w
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4n5t
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4nb3
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4nmx
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4nw2
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4o36
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4o37
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4o3u
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4o42
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4o45
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4os1
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4os4
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4os5
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4os7
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4psx
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4r1e
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4r3s
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4rrv
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PDBbind
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4u0a
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4u0b
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4u6x
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PDBbind
15-mer
4u6y
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PDBbind
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4xyn
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PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
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5cin
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PDBbind
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5cqx
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PDBbind
15-mer
5dif
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5epp
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PDBbind
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5etf
RCSB PDB
PDBbind
15-mer
5fb0
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5fb1
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PDBbind
15-mer
5h5q
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
6e5x
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Minor nucleoprotein VP30
Ligand Name
15-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.75uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
() Vol. : pp. -
Ligand Properties
Formula
C
7
4
H
1
0
6
N
1
3
O
1
5
Molecular Weight
1417.710
Exact Mass
1416.790
No. of atoms
208
No. of bonds
217
Polar Surface Area
364.05
LOGP Value
3.35 (
Computed with XLOGP3
)
2.16 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 15
No. of Rotatable Bonds: 37
No. of Nitrogen and Oxygen Atoms: 28
No. of Rings: 10
Canonical SMILES
CC(C[C@@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O)Cc1ccc(cc1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H](Cc1ccccc1)[NH3+])C
InChI String
InChI=1S/C74H105N13O15/c1-43(2)40-50(63(90)77-51(42-47-28-30-48(88)31-29-47)66(93)82-34-12-22-54(82)68(95)85-37-15-25-57(85)71(98)87-39-17-27-59(87)74(101)102)76-64(91)52-20-10-32-80(52)67(94)55-23-13-35-83(55)69(96)56-24-14-36-84(56)70(97)58-26-16-38-86(58)73(100)61(45(5)6)79-65(92)53-21-11-33-81(53)72(99)60(44(3)4)78-62(89)49(75)41-46-18-8-7-9-19-46/h7-9,18-19,28-31,43-45,49-61,88H,10-17,20-27,32-42,75H2,1-6H3,(H,76,91)(H,77,90)(H,78,89)(H,79,92)(H,101,102)/p+1/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/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):
Q77DJ5
Q7Z6E9
Entrez Gene ID
NCBI Entrez Gene ID:
911826
5930
ASD
Information of known allosteric effects of PDB entries
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