Browse entries in the PDBbind-CN Database
HEADER 5FDG_COMPLEX COMPND 5FDG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 181 GLY PRO LEU GLY SER MET GLU ASP PHE VAL ARG GLN CYS SEQRES 2 A 181 PHE ASN PRO MET ILE VAL GLU LEU ALA GLU LYS THR MET SEQRES 3 A 181 LYS GLU TYR GLY GLU ASP LEU LYS ILE GLU THR ASN LYS SEQRES 4 A 181 PHE ALA ALA ILE CYS THR HIS LEU GLU VAL CYS PHE MET SEQRES 5 A 181 TYR SER ASP ALA SER LYS HIS ARG PHE GLU ILE ILE GLU SEQRES 6 A 181 GLY ARG ASP ARG THR MET ALA TRP THR VAL VAL ASN SER SEQRES 7 A 181 ILE CYS ASN THR THR GLY ALA GLU LYS PRO LYS PHE LEU SEQRES 8 A 181 PRO ASP LEU TYR ASP TYR LYS GLU ASN ARG PHE ILE GLU SEQRES 9 A 181 ILE GLY VAL THR ARG ARG GLU VAL HIS ILE TYR TYR LEU SEQRES 10 A 181 GLU LYS ALA ASN LYS ILE LYS SER GLU LYS THR HIS ILE SEQRES 11 A 181 HIS ILE PHE SER PHE THR GLY GLU GLU MET ALA THR LYS SEQRES 12 A 181 ALA ASP TYR THR LEU ASP GLU GLU SER ARG ALA ARG ILE SEQRES 13 A 181 LYS THR ARG LEU PHE THR ILE ARG GLN GLU MET ALA SER SEQRES 14 A 181 ARG GLY LEU TRP ASP SER PHE ARG GLN SER GLU ARG HET MN A 1 1 HET MN A 2 1 HET UNN A 283 55 ATOM 1 N GLY A 1 35.767 40.348 20.100 1.00 66.03 N ATOM 2 CA GLY A 1 34.867 39.698 19.165 1.00 61.97 C ATOM 3 C GLY A 1 33.860 40.671 18.585 1.00 58.10 C ATOM 4 O GLY A 1 33.152 41.354 19.323 1.00 60.48 O ATOM 5 HN3 GLY A 1 35.217 40.755 20.883 1.00 0.00 H ATOM 6 HN2 GLY A 1 36.287 41.104 19.610 1.00 0.00 H ATOM 7 HN1 GLY A 1 36.440 39.649 20.474 1.00 0.00 H ATOM 8 N PRO A 2 33.792 40.750 17.252 1.00 52.79 N ATOM 9 CA PRO A 2 32.854 41.681 16.621 1.00 41.94 C ATOM 10 C PRO A 2 31.409 41.222 16.770 1.00 45.74 C ATOM 11 O PRO A 2 31.123 40.034 16.712 1.00 41.52 O ATOM 12 CB PRO A 2 33.273 41.662 15.151 1.00 45.53 C ATOM 13 CG PRO A 2 33.929 40.334 14.967 1.00 60.24 C ATOM 14 CD PRO A 2 34.601 40.014 16.268 1.00 45.14 C ATOM 15 N LEU A 3 30.509 42.175 16.970 1.00 34.74 N ATOM 16 CA LEU A 3 29.090 41.878 17.089 1.00 29.63 C ATOM 17 C LEU A 3 28.421 42.302 15.791 1.00 37.97 C ATOM 18 O LEU A 3 28.480 43.465 15.423 1.00 31.21 O ATOM 19 CB LEU A 3 28.495 42.656 18.263 1.00 36.42 C ATOM 20 CG LEU A 3 27.740 41.835 19.303 1.00 46.08 C ATOM 21 CD1 LEU A 3 28.591 40.659 19.715 1.00 66.17 C ATOM 22 CD2 LEU A 3 27.407 42.675 20.521 1.00 51.07 C ATOM 23 H LEU A 3 30.827 43.163 17.044 1.00 0.00 H ATOM 24 N GLY A 4 27.800 41.362 15.088 1.00 29.87 N ATOM 25 CA GLY A 4 27.187 41.671 13.808 1.00 24.01 C ATOM 26 C GLY A 4 25.822 42.306 13.988 1.00 30.43 C ATOM 27 O GLY A 4 25.345 42.466 15.112 1.00 30.92 O ATOM 28 H GLY A 4 27.752 40.392 15.459 1.00 0.00 H ATOM 29 N SER A 5 25.194 42.664 12.877 1.00 28.68 N ATOM 30 CA SER A 5 23.823 43.156 12.887 1.00 31.50 C ATOM 31 C SER A 5 22.881 41.984 12.678 1.00 27.31 C ATOM 32 O SER A 5 23.121 41.160 11.811 1.00 26.49 O ATOM 33 CB SER A 5 23.621 44.151 11.739 1.00 28.01 C ATOM 34 OG SER A 5 22.242 44.327 11.450 1.00 40.31 O ATOM 35 HG SER A 5 21.779 44.673 12.254 1.00 0.00 H ATOM 36 H SER A 5 25.696 42.591 11.969 1.00 0.00 H ATOM 37 N MET A 6 21.803 41.914 13.452 1.00 28.41 N ATOM 38 CA MET A 6 20.825 40.848 13.256 1.00 27.30 C ATOM 39 C MET A 6 20.125 40.966 11.899 1.00 39.25 C ATOM 40 O MET A 6 19.856 39.960 11.244 1.00 30.65 O ATOM 41 CB MET A 6 19.790 40.837 14.383 1.00 23.91 C ATOM 42 CG MET A 6 18.699 39.788 14.201 1.00 28.39 C ATOM 43 SD MET A 6 19.358 38.102 14.165 1.00 28.65 S ATOM 44 CE MET A 6 19.379 37.763 15.927 1.00 24.88 C ATOM 45 H MET A 6 21.656 42.621 14.200 1.00 0.00 H ATOM 46 N GLU A 7 19.836 42.194 11.471 1.00 30.33 N ATOM 47 CA GLU A 7 19.183 42.404 10.180 1.00 31.74 C ATOM 48 C GLU A 7 20.055 41.878 9.041 1.00 35.15 C ATOM 49 O GLU A 7 19.573 41.203 8.123 1.00 35.17 O ATOM 50 CB GLU A 7 18.838 43.886 9.969 1.00 44.48 C ATOM 51 CG GLU A 7 18.094 44.148 8.673 1.00 42.18 C ATOM 52 CD GLU A 7 17.615 45.585 8.515 1.00 50.17 C ATOM 53 OE1 GLU A 7 17.536 46.327 9.522 1.00 37.67 O ATOM 54 OE2 GLU A 7 17.313 45.968 7.365 1.00 52.68 O ATOM 55 H GLU A 7 20.078 43.014 12.063 1.00 0.00 H ATOM 56 N ASP A 8 21.345 42.184 9.122 1.00 34.07 N ATOM 57 CA ASP A 8 22.347 41.638 8.214 1.00 37.96 C ATOM 58 C ASP A 8 22.311 40.113 8.191 1.00 40.43 C ATOM 59 O ASP A 8 22.262 39.498 7.123 1.00 40.78 O ATOM 60 CB ASP A 8 23.746 42.082 8.648 1.00 35.88 C ATOM 61 CG ASP A 8 24.073 43.503 8.218 1.00 50.33 C ATOM 62 OD1 ASP A 8 23.179 44.185 7.674 1.00 40.27 O ATOM 63 OD2 ASP A 8 25.230 43.933 8.434 1.00 42.93 O ATOM 64 H ASP A 8 21.654 42.842 9.866 1.00 0.00 H ATOM 65 N PHE A 9 22.351 39.505 9.375 1.00 31.82 N ATOM 66 CA PHE A 9 22.323 38.050 9.465 1.00 37.19 C ATOM 67 C PHE A 9 21.096 37.503 8.759 1.00 29.14 C ATOM 68 O PHE A 9 21.207 36.610 7.930 1.00 30.76 O ATOM 69 CB PHE A 9 22.341 37.567 10.919 1.00 33.82 C ATOM 70 CG PHE A 9 21.958 36.114 11.070 1.00 33.17 C ATOM 71 CD1 PHE A 9 22.863 35.111 10.779 1.00 38.52 C ATOM 72 CD2 PHE A 9 20.684 35.759 11.482 1.00 31.74 C ATOM 73 CE1 PHE A 9 22.504 33.785 10.904 1.00 40.09 C ATOM 74 CE2 PHE A 9 20.322 34.440 11.605 1.00 30.67 C ATOM 75 CZ PHE A 9 21.232 33.453 11.320 1.00 28.66 C ATOM 76 H PHE A 9 22.403 40.074 10.244 1.00 0.00 H ATOM 77 N VAL A 10 19.934 38.062 9.082 1.00 26.10 N ATOM 78 CA VAL A 10 18.673 37.576 8.536 1.00 29.23 C ATOM 79 C VAL A 10 18.679 37.634 7.019 1.00 39.79 C ATOM 80 O VAL A 10 18.373 36.646 6.346 1.00 32.63 O ATOM 81 CB VAL A 10 17.467 38.364 9.087 1.00 31.07 C ATOM 82 CG1 VAL A 10 16.228 38.103 8.250 1.00 36.28 C ATOM 83 CG2 VAL A 10 17.212 37.977 10.530 1.00 31.76 C ATOM 84 H VAL A 10 19.924 38.867 9.741 1.00 0.00 H ATOM 85 N ARG A 11 19.063 38.784 6.476 1.00 34.21 N ATOM 86 CA ARG A 11 19.066 38.934 5.024 1.00 39.24 C ATOM 87 C ARG A 11 20.103 38.032 4.344 1.00 32.39 C ATOM 88 O ARG A 11 19.897 37.572 3.221 1.00 37.92 O ATOM 89 CB ARG A 11 19.215 40.408 4.631 1.00 37.79 C ATOM 90 CG ARG A 11 18.084 41.266 5.187 1.00 40.54 C ATOM 91 CD ARG A 11 18.163 42.709 4.708 1.00 54.03 C ATOM 92 NE ARG A 11 17.130 43.540 5.321 1.00 46.30 N ATOM 93 CZ ARG A 11 15.875 43.613 4.887 1.00 50.05 C ATOM 94 NH1 ARG A 11 15.498 42.901 3.835 1.00 49.61 N ATOM 95 NH2 ARG A 11 14.995 44.397 5.503 1.00 37.76 N ATOM 96 HE ARG A 11 17.393 44.111 6.150 1.00 0.00 H ATOM 97 HH12 ARG A 11 14.517 42.957 3.494 1.00 0.00 H ATOM 98 HH11 ARG A 11 16.183 42.287 3.350 1.00 0.00 H ATOM 99 HH22 ARG A 11 14.015 44.450 5.159 1.00 0.00 H ATOM 100 HH21 ARG A 11 15.287 44.957 6.329 1.00 0.00 H ATOM 101 H ARG A 11 19.360 39.574 7.083 1.00 0.00 H ATOM 102 N GLN A 12 21.194 37.738 5.043 1.00 36.87 N ATOM 103 CA GLN A 12 22.219 36.863 4.486 1.00 32.92 C ATOM 104 C GLN A 12 21.886 35.366 4.594 1.00 47.44 C ATOM 105 O GLN A 12 22.364 34.563 3.801 1.00 47.58 O ATOM 106 CB GLN A 12 23.581 37.137 5.139 1.00 39.14 C ATOM 107 CG GLN A 12 24.165 38.508 4.822 1.00 52.05 C ATOM 108 CD GLN A 12 25.286 38.920 5.772 1.00 65.78 C ATOM 109 OE1 GLN A 12 26.018 38.081 6.301 1.00 64.66 O ATOM 110 NE2 GLN A 12 25.419 40.225 5.994 1.00 65.28 N ATOM 111 HE22 GLN A 12 24.780 40.900 5.527 1.00 0.00 H ATOM 112 HE21 GLN A 12 26.162 40.570 6.634 1.00 0.00 H ATOM 113 H GLN A 12 21.318 38.135 5.996 1.00 0.00 H ATOM 114 N CYS A 13 21.070 34.977 5.567 1.00 33.42 N ATOM 115 CA CYS A 13 20.917 33.549 5.838 1.00 34.44 C ATOM 116 C CYS A 13 19.543 32.949 5.532 1.00 36.31 C ATOM 117 O CYS A 13 19.404 31.732 5.460 1.00 35.69 O ATOM 118 CB CYS A 13 21.382 33.227 7.257 1.00 46.44 C ATOM 119 SG CYS A 13 23.150 33.626 7.496 1.00 66.75 S ATOM 120 H CYS A 13 20.547 35.679 6.128 1.00 0.00 H ATOM 121 N PHE A 14 18.538 33.797 5.339 1.00 28.46 N ATOM 122 CA PHE A 14 17.221 33.329 4.930 1.00 27.47 C ATOM 123 C PHE A 14 16.935 33.596 3.451 1.00 39.13 C ATOM 124 O PHE A 14 17.401 34.582 2.881 1.00 34.77 O ATOM 125 CB PHE A 14 16.128 33.940 5.811 1.00 33.15 C ATOM 126 CG PHE A 14 16.120 33.399 7.210 1.00 34.46 C ATOM 127 CD1 PHE A 14 15.496 32.196 7.492 1.00 31.54 C ATOM 128 CD2 PHE A 14 16.758 34.077 8.231 1.00 28.70 C ATOM 129 CE1 PHE A 14 15.493 31.688 8.767 1.00 24.95 C ATOM 130 CE2 PHE A 14 16.764 33.574 9.518 1.00 29.53 C ATOM 131 CZ PHE A 14 16.133 32.381 9.788 1.00 28.71 C ATOM 132 H PHE A 14 18.695 34.815 5.483 1.00 0.00 H ATOM 133 N ASN A 15 16.177 32.694 2.837 1.00 38.17 N ATOM 134 CA ASN A 15 15.681 32.879 1.480 1.00 39.60 C ATOM 135 C ASN A 15 14.863 34.164 1.380 1.00 39.99 C ATOM 136 O ASN A 15 14.031 34.447 2.248 1.00 39.89 O ATOM 137 CB ASN A 15 14.824 31.674 1.097 1.00 43.47 C ATOM 138 CG ASN A 15 14.311 31.748 -0.315 1.00 50.53 C ATOM 139 OD1 ASN A 15 13.397 32.514 -0.619 1.00 61.35 O ATOM 140 ND2 ASN A 15 14.884 30.934 -1.190 1.00 59.91 N ATOM 141 HD22 ASN A 15 15.654 30.304 -0.887 1.00 0.00 H ATOM 142 HD21 ASN A 15 14.564 30.926 -2.179 1.00 0.00 H ATOM 143 H ASN A 15 15.928 31.821 3.345 1.00 0.00 H ATOM 144 N PRO A 16 15.097 34.952 0.319 1.00 44.43 N ATOM 145 CA PRO A 16 14.452 36.264 0.171 1.00 31.46 C ATOM 146 C PRO A 16 12.928 36.221 0.089 1.00 37.84 C ATOM 147 O PRO A 16 12.301 37.228 0.403 1.00 40.01 O ATOM 148 CB PRO A 16 15.066 36.824 -1.122 1.00 46.74 C ATOM 149 CG PRO A 16 15.694 35.664 -1.798 1.00 50.19 C ATOM 150 CD PRO A 16 16.106 34.718 -0.725 1.00 41.01 C ATOM 151 N MET A 17 12.339 35.095 -0.307 1.00 35.59 N ATOM 152 CA MET A 17 10.886 34.966 -0.230 1.00 36.03 C ATOM 153 C MET A 17 10.440 34.933 1.229 1.00 28.90 C ATOM 154 O MET A 17 9.436 35.548 1.606 1.00 33.31 O ATOM 155 CB MET A 17 10.392 33.702 -0.939 1.00 38.72 C ATOM 156 CG MET A 17 8.867 33.564 -0.912 1.00 47.11 C ATOM 157 SD MET A 17 8.208 31.966 -1.451 1.00 85.27 S ATOM 158 CE MET A 17 8.668 30.925 -0.068 1.00 56.86 C ATOM 159 H MET A 17 12.913 34.308 -0.671 1.00 0.00 H ATOM 160 N ILE A 18 11.194 34.206 2.050 1.00 33.75 N ATOM 161 CA ILE A 18 10.898 34.122 3.479 1.00 32.17 C ATOM 162 C ILE A 18 11.058 35.495 4.128 1.00 20.16 C ATOM 163 O ILE A 18 10.201 35.938 4.886 1.00 26.31 O ATOM 164 CB ILE A 18 11.791 33.075 4.182 1.00 29.66 C ATOM 165 CG1 ILE A 18 11.311 31.658 3.837 1.00 32.03 C ATOM 166 CG2 ILE A 18 11.794 33.296 5.694 1.00 29.35 C ATOM 167 CD1 ILE A 18 12.166 30.563 4.413 1.00 42.36 C ATOM 168 H ILE A 18 12.010 33.687 1.667 1.00 0.00 H ATOM 169 N VAL A 19 12.152 36.172 3.803 1.00 25.17 N ATOM 170 CA VAL A 19 12.385 37.528 4.292 1.00 28.08 C ATOM 171 C VAL A 19 11.254 38.468 3.885 1.00 32.51 C ATOM 172 O VAL A 19 10.736 39.215 4.715 1.00 31.01 O ATOM 173 CB VAL A 19 13.728 38.086 3.791 1.00 32.72 C ATOM 174 CG1 VAL A 19 13.877 39.551 4.182 1.00 41.33 C ATOM 175 CG2 VAL A 19 14.874 37.273 4.364 1.00 34.43 C ATOM 176 H VAL A 19 12.860 35.726 3.185 1.00 0.00 H ATOM 177 N GLU A 20 10.847 38.412 2.619 1.00 34.46 N ATOM 178 CA GLU A 20 9.749 39.262 2.153 1.00 36.23 C ATOM 179 C GLU A 20 8.450 38.973 2.904 1.00 32.27 C ATOM 180 O GLU A 20 7.739 39.897 3.321 1.00 40.38 O ATOM 181 CB GLU A 20 9.547 39.146 0.633 1.00 37.21 C ATOM 182 CG GLU A 20 8.254 39.797 0.136 1.00 57.38 C ATOM 183 CD GLU A 20 8.309 40.216 -1.325 1.00 91.90 C ATOM 184 OE1 GLU A 20 9.351 39.997 -1.979 1.00 96.52 O ATOM 185 OE2 GLU A 20 7.303 40.772 -1.819 1.00 94.25 O ATOM 186 H GLU A 20 11.312 37.760 1.956 1.00 0.00 H ATOM 187 N LEU A 21 8.142 37.692 3.099 1.00 32.24 N ATOM 188 CA LEU A 21 6.935 37.328 3.847 1.00 28.50 C ATOM 189 C LEU A 21 7.010 37.801 5.295 1.00 28.60 C ATOM 190 O LEU A 21 6.004 38.191 5.896 1.00 29.60 O ATOM 191 CB LEU A 21 6.696 35.813 3.799 1.00 30.61 C ATOM 192 CG LEU A 21 6.275 35.246 2.436 1.00 38.63 C ATOM 193 CD1 LEU A 21 6.245 33.723 2.449 1.00 34.71 C ATOM 194 CD2 LEU A 21 4.920 35.801 2.028 1.00 40.85 C ATOM 195 H LEU A 21 8.760 36.947 2.719 1.00 0.00 H ATOM 196 N ALA A 22 8.210 37.759 5.856 1.00 29.09 N ATOM 197 CA ALA A 22 8.414 38.164 7.235 1.00 31.65 C ATOM 198 C ALA A 22 8.181 39.668 7.358 1.00 33.73 C ATOM 199 O ALA A 22 7.498 40.139 8.271 1.00 32.08 O ATOM 200 CB ALA A 22 9.821 37.810 7.666 1.00 24.98 C ATOM 201 H ALA A 22 9.022 37.429 5.297 1.00 0.00 H ATOM 202 N GLU A 23 8.754 40.409 6.417 1.00 34.22 N ATOM 203 CA GLU A 23 8.546 41.849 6.313 1.00 36.78 C ATOM 204 C GLU A 23 7.065 42.201 6.224 1.00 33.93 C ATOM 205 O GLU A 23 6.577 43.059 6.960 1.00 34.54 O ATOM 206 CB GLU A 23 9.276 42.397 5.087 1.00 36.08 C ATOM 207 CG GLU A 23 10.782 42.425 5.230 1.00 46.08 C ATOM 208 CD GLU A 23 11.480 42.955 3.992 1.00 58.58 C ATOM 209 OE1 GLU A 23 10.901 42.842 2.891 1.00 64.84 O ATOM 210 OE2 GLU A 23 12.604 43.488 4.122 1.00 59.21 O ATOM 211 H GLU A 23 9.377 39.944 5.726 1.00 0.00 H ATOM 212 N LYS A 24 6.350 41.530 5.326 1.00 34.67 N ATOM 213 CA LYS A 24 4.913 41.762 5.185 1.00 37.95 C ATOM 214 C LYS A 24 4.128 41.419 6.444 1.00 36.89 C ATOM 215 O LYS A 24 3.159 42.104 6.786 1.00 43.83 O ATOM 216 CB LYS A 24 4.345 41.001 3.987 1.00 42.12 C ATOM 217 CG LYS A 24 4.779 41.574 2.653 1.00 54.60 C ATOM 218 CD LYS A 24 4.163 40.813 1.499 1.00 65.01 C ATOM 219 CE LYS A 24 4.793 41.224 0.186 1.00 75.58 C ATOM 220 NZ LYS A 24 5.032 40.036 -0.677 1.00 86.71 N ATOM 221 HZ1 LYS A 24 5.671 39.377 -0.188 1.00 0.00 H ATOM 222 HZ2 LYS A 24 4.127 39.563 -0.871 1.00 0.00 H ATOM 223 HZ3 LYS A 24 5.465 40.341 -1.572 1.00 0.00 H ATOM 224 H LYS A 24 6.819 40.831 4.716 1.00 0.00 H ATOM 225 N THR A 25 4.542 40.361 7.133 1.00 36.05 N ATOM 226 CA THR A 25 3.903 39.991 8.390 1.00 33.99 C ATOM 227 C THR A 25 4.081 41.101 9.414 1.00 39.50 C ATOM 228 O THR A 25 3.145 41.465 10.126 1.00 38.57 O ATOM 229 CB THR A 25 4.491 38.694 8.976 1.00 37.66 C ATOM 230 OG1 THR A 25 4.189 37.597 8.109 1.00 47.94 O ATOM 231 CG2 THR A 25 3.888 38.416 10.326 1.00 28.53 C ATOM 232 HG1 THR A 25 4.568 36.765 8.488 1.00 0.00 H ATOM 233 H THR A 25 5.332 39.790 6.771 1.00 0.00 H ATOM 234 N MET A 26 5.290 41.646 9.481 1.00 35.06 N ATOM 235 CA MET A 26 5.574 42.688 10.463 1.00 40.46 C ATOM 236 C MET A 26 4.845 43.990 10.148 1.00 34.91 C ATOM 237 O MET A 26 4.315 44.638 11.042 1.00 38.99 O ATOM 238 CB MET A 26 7.080 42.934 10.584 1.00 34.68 C ATOM 239 CG MET A 26 7.840 41.696 11.032 1.00 37.55 C ATOM 240 SD MET A 26 9.520 42.007 11.575 1.00 38.92 S ATOM 241 CE MET A 26 9.204 42.683 13.207 1.00 30.16 C ATOM 242 H MET A 26 6.038 41.329 8.831 1.00 0.00 H ATOM 243 N LYS A 27 4.827 44.368 8.875 1.00 44.51 N ATOM 244 CA LYS A 27 4.136 45.582 8.452 1.00 43.65 C ATOM 245 C LYS A 27 2.631 45.476 8.679 1.00 45.48 C ATOM 246 O LYS A 27 1.994 46.417 9.152 1.00 52.87 O ATOM 247 CB LYS A 27 4.447 45.892 6.993 1.00 38.99 C ATOM 248 CG LYS A 27 5.872 46.359 6.794 1.00 57.22 C ATOM 249 CD LYS A 27 6.166 46.722 5.355 1.00 56.19 C ATOM 250 CE LYS A 27 7.495 47.453 5.256 1.00 59.21 C ATOM 251 NZ LYS A 27 7.815 47.875 3.864 1.00 66.92 N ATOM 252 HZ1 LYS A 27 7.865 47.036 3.252 1.00 0.00 H ATOM 253 HZ2 LYS A 27 7.072 48.515 3.517 1.00 0.00 H ATOM 254 HZ3 LYS A 27 8.731 48.368 3.854 1.00 0.00 H ATOM 255 H LYS A 27 5.316 43.787 8.164 1.00 0.00 H ATOM 256 N GLU A 28 2.075 44.314 8.356 1.00 47.58 N ATOM 257 CA GLU A 28 0.658 44.051 8.570 1.00 41.62 C ATOM 258 C GLU A 28 0.259 44.169 10.041 1.00 45.81 C ATOM 259 O GLU A 28 -0.854 44.583 10.355 1.00 57.19 O ATOM 260 CB GLU A 28 0.316 42.661 8.035 1.00 50.45 C ATOM 261 CG GLU A 28 -1.067 42.154 8.360 1.00 46.57 C ATOM 262 CD GLU A 28 -1.376 40.860 7.625 1.00 58.80 C ATOM 263 OE1 GLU A 28 -0.563 40.446 6.769 1.00 59.04 O ATOM 264 OE2 GLU A 28 -2.430 40.257 7.902 1.00 60.15 O ATOM 265 H GLU A 28 2.669 43.570 7.938 1.00 0.00 H ATOM 266 N TYR A 29 1.168 43.806 10.940 1.00 47.52 N ATOM 267 CA TYR A 29 0.865 43.808 12.373 1.00 48.82 C ATOM 268 C TYR A 29 1.411 45.039 13.113 1.00 48.21 C ATOM 269 O TYR A 29 1.371 45.108 14.338 1.00 50.37 O ATOM 270 CB TYR A 29 1.331 42.501 13.037 1.00 51.95 C ATOM 271 CG TYR A 29 0.410 41.327 12.761 1.00 54.03 C ATOM 272 CD1 TYR A 29 -0.680 41.073 13.583 1.00 50.12 C ATOM 273 CD2 TYR A 29 0.621 40.487 11.671 1.00 55.59 C ATOM 274 CE1 TYR A 29 -1.531 40.012 13.335 1.00 55.63 C ATOM 275 CE2 TYR A 29 -0.227 39.422 11.412 1.00 53.73 C ATOM 276 CZ TYR A 29 -1.302 39.191 12.249 1.00 58.23 C ATOM 277 OH TYR A 29 -2.151 38.139 12.004 1.00 53.91 O ATOM 278 HH TYR A 29 -2.860 38.120 12.695 1.00 0.00 H ATOM 279 H TYR A 29 2.114 43.515 10.620 1.00 0.00 H ATOM 280 N GLY A 30 1.907 46.016 12.361 1.00 44.27 N ATOM 281 CA GLY A 30 2.349 47.267 12.946 1.00 47.96 C ATOM 282 C GLY A 30 3.602 47.157 13.794 1.00 60.40 C ATOM 283 O GLY A 30 3.618 47.571 14.953 1.00 62.66 O ATOM 284 H GLY A 30 1.980 45.881 11.332 1.00 0.00 H ATOM 285 N GLU A 31 4.657 46.593 13.218 1.00 49.96 N ATOM 286 CA GLU A 31 5.935 46.482 13.910 1.00 45.31 C ATOM 287 C GLU A 31 7.081 46.907 12.999 1.00 52.29 C ATOM 288 O GLU A 31 7.081 46.606 11.804 1.00 41.85 O ATOM 289 CB GLU A 31 6.155 45.056 14.410 1.00 55.03 C ATOM 290 CG GLU A 31 5.040 44.533 15.307 1.00 50.12 C ATOM 291 CD GLU A 31 5.561 43.689 16.454 1.00 75.75 C ATOM 292 OE1 GLU A 31 5.167 42.507 16.547 1.00 77.26 O ATOM 293 OE2 GLU A 31 6.360 44.210 17.266 1.00 76.19 O ATOM 294 H GLU A 31 4.569 46.222 12.250 1.00 0.00 H ATOM 295 N ASP A 32 8.055 47.613 13.565 1.00 53.41 N ATOM 296 CA ASP A 32 9.209 48.068 12.796 1.00 49.46 C ATOM 297 C ASP A 32 10.342 47.063 12.931 1.00 38.47 C ATOM 298 O ASP A 32 10.871 46.861 14.022 1.00 46.37 O ATOM 299 CB ASP A 32 9.668 49.455 13.271 1.00 49.75 C ATOM 300 CG ASP A 32 10.640 50.119 12.302 1.00 54.74 C ATOM 301 OD1 ASP A 32 11.202 49.420 11.431 1.00 58.55 O ATOM 302 OD2 ASP A 32 10.843 51.349 12.412 1.00 72.65 O ATOM 303 H ASP A 32 7.993 47.846 14.577 1.00 0.00 H ATOM 304 N LEU A 33 10.720 46.446 11.817 1.00 37.17 N ATOM 305 CA LEU A 33 11.748 45.413 11.847 1.00 42.62 C ATOM 306 C LEU A 33 13.112 45.985 12.230 1.00 47.54 C ATOM 307 O LEU A 33 13.956 45.281 12.777 1.00 39.56 O ATOM 308 CB LEU A 33 11.826 44.661 10.506 1.00 42.67 C ATOM 309 CG LEU A 33 12.408 45.334 9.255 1.00 43.36 C ATOM 310 CD1 LEU A 33 13.924 45.186 9.160 1.00 38.39 C ATOM 311 CD2 LEU A 33 11.750 44.778 8.005 1.00 41.61 C ATOM 312 H LEU A 33 10.277 46.703 10.912 1.00 0.00 H ATOM 313 N LYS A 34 13.325 47.264 11.940 1.00 45.54 N ATOM 314 CA LYS A 34 14.611 47.898 12.223 1.00 41.86 C ATOM 315 C LYS A 34 14.843 48.086 13.725 1.00 35.51 C ATOM 316 O LYS A 34 15.973 48.280 14.163 1.00 45.21 O ATOM 317 CB LYS A 34 14.761 49.213 11.448 1.00 39.80 C ATOM 318 CG LYS A 34 15.118 48.999 9.979 1.00 40.81 C ATOM 319 CD LYS A 34 15.110 50.293 9.184 1.00 49.60 C ATOM 320 CE LYS A 34 13.699 50.847 9.043 1.00 58.17 C ATOM 321 NZ LYS A 34 13.650 51.990 8.089 1.00 52.95 N ATOM 322 HZ1 LYS A 34 14.269 52.752 8.431 1.00 0.00 H ATOM 323 HZ2 LYS A 34 13.973 51.673 7.153 1.00 0.00 H ATOM 324 HZ3 LYS A 34 12.673 52.340 8.019 1.00 0.00 H ATOM 325 H LYS A 34 12.564 47.823 11.504 1.00 0.00 H ATOM 326 N ILE A 35 13.766 48.008 14.501 1.00 34.38 N ATOM 327 CA ILE A 35 13.854 48.026 15.955 1.00 38.43 C ATOM 328 C ILE A 35 13.664 46.623 16.554 1.00 50.95 C ATOM 329 O ILE A 35 14.445 46.192 17.405 1.00 50.49 O ATOM 330 CB ILE A 35 12.841 49.016 16.571 1.00 47.75 C ATOM 331 CG1 ILE A 35 13.226 50.455 16.208 1.00 54.62 C ATOM 332 CG2 ILE A 35 12.773 48.849 18.077 1.00 39.73 C ATOM 333 CD1 ILE A 35 12.544 51.511 17.057 1.00 45.57 C ATOM 334 H ILE A 35 12.830 47.932 14.055 1.00 0.00 H ATOM 335 N GLU A 36 12.639 45.909 16.094 1.00 35.65 N ATOM 336 CA GLU A 36 12.379 44.550 16.562 1.00 37.93 C ATOM 337 C GLU A 36 13.103 43.515 15.700 1.00 40.00 C ATOM 338 O GLU A 36 12.468 42.675 15.071 1.00 34.17 O ATOM 339 CB GLU A 36 10.875 44.266 16.561 1.00 44.44 C ATOM 340 CG GLU A 36 10.070 45.199 17.447 1.00 42.32 C ATOM 341 CD GLU A 36 10.488 45.109 18.899 1.00 65.81 C ATOM 342 OE1 GLU A 36 10.676 43.975 19.400 1.00 58.97 O ATOM 343 OE2 GLU A 36 10.643 46.176 19.535 1.00 71.05 O ATOM 344 H GLU A 36 12.007 46.330 15.383 1.00 0.00 H ATOM 345 N THR A 37 14.431 43.580 15.671 1.00 31.16 N ATOM 346 CA THR A 37 15.221 42.750 14.765 1.00 30.92 C ATOM 347 C THR A 37 15.214 41.278 15.171 1.00 23.39 C ATOM 348 O THR A 37 15.125 40.388 14.319 1.00 31.55 O ATOM 349 CB THR A 37 16.674 43.231 14.701 1.00 36.49 C ATOM 350 OG1 THR A 37 17.176 43.379 16.036 1.00 39.20 O ATOM 351 CG2 THR A 37 16.747 44.570 13.999 1.00 32.76 C ATOM 352 HG1 THR A 37 18.115 43.690 16.002 1.00 0.00 H ATOM 353 H THR A 37 14.920 44.239 16.310 1.00 0.00 H ATOM 354 N ASN A 38 15.309 41.028 16.472 1.00 23.81 N ATOM 355 CA ASN A 38 15.225 39.670 16.983 1.00 32.82 C ATOM 356 C ASN A 38 13.892 39.038 16.617 1.00 29.06 C ATOM 357 O ASN A 38 13.840 37.881 16.209 1.00 29.72 O ATOM 358 CB ASN A 38 15.428 39.631 18.497 1.00 21.64 C ATOM 359 CG ASN A 38 16.879 39.862 18.899 1.00 31.34 C ATOM 360 OD1 ASN A 38 17.803 39.679 18.101 1.00 30.96 O ATOM 361 ND2 ASN A 38 17.082 40.264 20.143 1.00 35.45 N ATOM 362 HD22 ASN A 38 16.274 40.406 20.782 1.00 0.00 H ATOM 363 HD21 ASN A 38 18.050 40.438 20.482 1.00 0.00 H ATOM 364 H ASN A 38 15.446 41.817 17.136 1.00 0.00 H ATOM 365 N LYS A 39 12.815 39.804 16.758 1.00 24.29 N ATOM 366 CA LYS A 39 11.495 39.312 16.390 1.00 28.23 C ATOM 367 C LYS A 39 11.442 39.012 14.887 1.00 33.25 C ATOM 368 O LYS A 39 10.883 38.011 14.461 1.00 29.87 O ATOM 369 CB LYS A 39 10.424 40.317 16.784 1.00 36.53 C ATOM 370 CG LYS A 39 9.013 39.803 16.601 1.00 44.24 C ATOM 371 CD LYS A 39 7.997 40.836 17.050 1.00 62.21 C ATOM 372 CE LYS A 39 8.234 41.267 18.496 1.00 50.43 C ATOM 373 NZ LYS A 39 7.153 42.173 18.986 1.00 56.49 N ATOM 374 HZ1 LYS A 39 7.120 43.025 18.391 1.00 0.00 H ATOM 375 HZ2 LYS A 39 6.239 41.679 18.937 1.00 0.00 H ATOM 376 HZ3 LYS A 39 7.349 42.444 19.971 1.00 0.00 H ATOM 377 H LYS A 39 12.916 40.767 17.136 1.00 0.00 H ATOM 378 N PHE A 40 12.043 39.884 14.090 1.00 23.34 N ATOM 379 CA PHE A 40 12.161 39.669 12.656 1.00 25.25 C ATOM 380 C PHE A 40 12.815 38.305 12.369 1.00 27.90 C ATOM 381 O PHE A 40 12.328 37.514 11.542 1.00 24.44 O ATOM 382 CB PHE A 40 12.976 40.819 12.061 1.00 25.96 C ATOM 383 CG PHE A 40 13.135 40.763 10.572 1.00 29.29 C ATOM 384 CD1 PHE A 40 12.080 40.404 9.756 1.00 37.24 C ATOM 385 CD2 PHE A 40 14.342 41.116 9.988 1.00 34.64 C ATOM 386 CE1 PHE A 40 12.233 40.367 8.385 1.00 34.72 C ATOM 387 CE2 PHE A 40 14.501 41.089 8.624 1.00 38.45 C ATOM 388 CZ PHE A 40 13.442 40.707 7.816 1.00 34.93 C ATOM 389 H PHE A 40 12.443 40.750 14.503 1.00 0.00 H ATOM 390 N ALA A 41 13.904 38.024 13.079 1.00 24.64 N ATOM 391 CA ALA A 41 14.608 36.752 12.927 1.00 25.80 C ATOM 392 C ALA A 41 13.737 35.564 13.352 1.00 19.40 C ATOM 393 O ALA A 41 13.750 34.510 12.710 1.00 26.37 O ATOM 394 CB ALA A 41 15.926 36.774 13.724 1.00 23.32 C ATOM 395 H ALA A 41 14.263 38.725 13.758 1.00 0.00 H ATOM 396 N ALA A 42 12.984 35.742 14.435 1.00 20.93 N ATOM 397 CA ALA A 42 12.090 34.708 14.941 1.00 23.04 C ATOM 398 C ALA A 42 10.981 34.384 13.946 1.00 27.91 C ATOM 399 O ALA A 42 10.619 33.224 13.749 1.00 22.71 O ATOM 400 CB ALA A 42 11.484 35.144 16.259 1.00 19.75 C ATOM 401 H ALA A 42 13.035 36.651 14.938 1.00 0.00 H ATOM 402 N ILE A 43 10.438 35.424 13.330 1.00 22.82 N ATOM 403 CA ILE A 43 9.398 35.280 12.322 1.00 17.36 C ATOM 404 C ILE A 43 9.921 34.538 11.096 1.00 16.37 C ATOM 405 O ILE A 43 9.250 33.637 10.576 1.00 23.85 O ATOM 406 CB ILE A 43 8.821 36.661 11.925 1.00 21.07 C ATOM 407 CG1 ILE A 43 8.062 37.259 13.110 1.00 23.53 C ATOM 408 CG2 ILE A 43 7.882 36.543 10.702 1.00 22.78 C ATOM 409 CD1 ILE A 43 7.697 38.721 12.921 1.00 28.58 C ATOM 410 H ILE A 43 10.767 36.379 13.576 1.00 0.00 H ATOM 411 N CYS A 44 11.128 34.894 10.654 1.00 21.46 N ATOM 412 CA CYS A 44 11.748 34.169 9.542 1.00 21.88 C ATOM 413 C CYS A 44 11.963 32.690 9.858 1.00 30.26 C ATOM 414 O CYS A 44 11.671 31.823 9.034 1.00 22.94 O ATOM 415 CB CYS A 44 13.082 34.794 9.166 1.00 24.60 C ATOM 416 SG CYS A 44 12.912 36.349 8.277 1.00 28.30 S ATOM 417 H CYS A 44 11.630 35.688 11.100 1.00 0.00 H ATOM 418 N THR A 45 12.497 32.424 11.049 1.00 20.87 N ATOM 419 CA THR A 45 12.761 31.064 11.504 1.00 21.11 C ATOM 420 C THR A 45 11.488 30.233 11.542 1.00 20.60 C ATOM 421 O THR A 45 11.441 29.118 11.017 1.00 21.68 O ATOM 422 CB THR A 45 13.362 31.086 12.915 1.00 22.76 C ATOM 423 OG1 THR A 45 14.579 31.848 12.890 1.00 20.69 O ATOM 424 CG2 THR A 45 13.657 29.672 13.384 1.00 23.98 C ATOM 425 HG1 THR A 45 14.382 32.772 12.595 1.00 0.00 H ATOM 426 H THR A 45 12.735 33.217 11.679 1.00 0.00 H ATOM 427 N HIS A 46 10.455 30.784 12.173 1.00 15.44 N ATOM 428 CA HIS A 46 9.165 30.114 12.280 1.00 19.33 C ATOM 429 C HIS A 46 8.589 29.806 10.900 1.00 26.77 C ATOM 430 O HIS A 46 8.107 28.687 10.643 1.00 23.77 O ATOM 431 CB HIS A 46 8.206 30.979 13.107 1.00 15.68 C ATOM 432 CG HIS A 46 6.815 30.427 13.206 1.00 20.97 C ATOM 433 ND1 HIS A 46 5.798 30.828 12.365 1.00 17.11 N ATOM 434 CD2 HIS A 46 6.263 29.534 14.065 1.00 24.36 C ATOM 435 CE1 HIS A 46 4.683 30.194 12.688 1.00 23.97 C ATOM 436 NE2 HIS A 46 4.937 29.405 13.719 1.00 21.48 N ATOM 437 H HIS A 46 10.571 31.723 12.604 1.00 0.00 H ATOM 438 N LEU A 47 8.661 30.797 10.010 1.00 26.52 N ATOM 439 CA LEU A 47 8.193 30.622 8.638 1.00 19.16 C ATOM 440 C LEU A 47 8.919 29.479 7.954 1.00 22.09 C ATOM 441 O LEU A 47 8.295 28.616 7.334 1.00 22.38 O ATOM 442 CB LEU A 47 8.420 31.903 7.825 1.00 25.63 C ATOM 443 CG LEU A 47 7.235 32.830 7.561 1.00 44.59 C ATOM 444 CD1 LEU A 47 7.688 33.996 6.705 1.00 45.33 C ATOM 445 CD2 LEU A 47 6.105 32.074 6.875 1.00 37.61 C ATOM 446 H LEU A 47 9.059 31.713 10.299 1.00 0.00 H ATOM 447 N GLU A 48 10.246 29.479 8.069 1.00 17.59 N ATOM 448 CA GLU A 48 11.041 28.436 7.444 1.00 23.28 C ATOM 449 C GLU A 48 10.715 27.050 8.012 1.00 22.56 C ATOM 450 O GLU A 48 10.688 26.062 7.276 1.00 25.63 O ATOM 451 CB GLU A 48 12.537 28.745 7.565 1.00 23.72 C ATOM 452 CG GLU A 48 13.398 27.811 6.734 1.00 37.51 C ATOM 453 CD GLU A 48 14.855 28.216 6.703 1.00 40.97 C ATOM 454 OE1 GLU A 48 15.373 28.697 7.733 1.00 49.10 O ATOM 455 OE2 GLU A 48 15.488 28.053 5.642 1.00 53.79 O ATOM 456 H GLU A 48 10.717 30.232 8.611 1.00 0.00 H ATOM 457 N VAL A 49 10.452 26.971 9.314 1.00 19.94 N ATOM 458 CA VAL A 49 10.084 25.677 9.910 1.00 18.64 C ATOM 459 C VAL A 49 8.740 25.204 9.358 1.00 22.02 C ATOM 460 O VAL A 49 8.584 24.037 9.013 1.00 24.53 O ATOM 461 CB VAL A 49 10.058 25.719 11.456 1.00 19.64 C ATOM 462 CG1 VAL A 49 9.399 24.460 12.025 1.00 22.17 C ATOM 463 CG2 VAL A 49 11.463 25.866 11.984 1.00 22.02 C ATOM 464 H VAL A 49 10.506 27.822 9.909 1.00 0.00 H ATOM 465 N CYS A 50 7.777 26.116 9.255 1.00 22.09 N ATOM 466 CA CYS A 50 6.491 25.797 8.634 1.00 22.46 C ATOM 467 C CYS A 50 6.642 25.264 7.199 1.00 23.92 C ATOM 468 O CYS A 50 6.010 24.260 6.820 1.00 23.46 O ATOM 469 CB CYS A 50 5.572 27.018 8.638 1.00 20.70 C ATOM 470 SG CYS A 50 4.961 27.468 10.277 1.00 24.93 S ATOM 471 H CYS A 50 7.941 27.075 9.623 1.00 0.00 H ATOM 472 N PHE A 51 7.481 25.934 6.411 1.00 23.59 N ATOM 473 CA PHE A 51 7.734 25.510 5.037 1.00 21.71 C ATOM 474 C PHE A 51 8.399 24.134 4.971 1.00 25.47 C ATOM 475 O PHE A 51 8.008 23.289 4.166 1.00 24.56 O ATOM 476 CB PHE A 51 8.588 26.539 4.298 1.00 24.04 C ATOM 477 CG PHE A 51 7.849 27.811 3.960 1.00 32.59 C ATOM 478 CD1 PHE A 51 6.467 27.848 3.955 1.00 42.54 C ATOM 479 CD2 PHE A 51 8.543 28.969 3.652 1.00 42.69 C ATOM 480 CE1 PHE A 51 5.785 29.018 3.642 1.00 41.97 C ATOM 481 CE2 PHE A 51 7.872 30.136 3.339 1.00 39.89 C ATOM 482 CZ PHE A 51 6.488 30.161 3.337 1.00 34.93 C ATOM 483 H PHE A 51 7.966 26.776 6.782 1.00 0.00 H ATOM 484 N MET A 52 9.404 23.916 5.815 1.00 19.17 N ATOM 485 CA MET A 52 10.103 22.630 5.857 1.00 26.21 C ATOM 486 C MET A 52 9.157 21.503 6.269 1.00 25.60 C ATOM 487 O MET A 52 9.207 20.393 5.733 1.00 26.60 O ATOM 488 CB MET A 52 11.291 22.698 6.819 1.00 23.48 C ATOM 489 CG MET A 52 12.461 23.547 6.307 1.00 26.90 C ATOM 490 SD MET A 52 13.827 23.609 7.486 1.00 28.27 S ATOM 491 CE MET A 52 14.460 21.947 7.338 1.00 37.08 C ATOM 492 H MET A 52 9.700 24.676 6.460 1.00 0.00 H ATOM 493 N TYR A 53 8.287 21.810 7.224 1.00 20.84 N ATOM 494 CA TYR A 53 7.326 20.852 7.742 1.00 19.70 C ATOM 495 C TYR A 53 6.421 20.439 6.594 1.00 28.34 C ATOM 496 O TYR A 53 6.207 19.250 6.356 1.00 21.71 O ATOM 497 CB TYR A 53 6.499 21.508 8.848 1.00 20.09 C ATOM 498 CG TYR A 53 5.873 20.565 9.852 1.00 21.52 C ATOM 499 CD1 TYR A 53 4.713 19.863 9.549 1.00 23.44 C ATOM 500 CD2 TYR A 53 6.428 20.412 11.122 1.00 25.66 C ATOM 501 CE1 TYR A 53 4.139 19.021 10.469 1.00 22.49 C ATOM 502 CE2 TYR A 53 5.859 19.566 12.048 1.00 24.79 C ATOM 503 CZ TYR A 53 4.713 18.877 11.716 1.00 26.19 C ATOM 504 OH TYR A 53 4.129 18.041 12.636 1.00 27.25 O ATOM 505 HH TYR A 53 3.874 18.562 13.438 1.00 0.00 H ATOM 506 H TYR A 53 8.294 22.773 7.616 1.00 0.00 H ATOM 507 N SER A 54 5.900 21.422 5.868 1.00 23.11 N ATOM 508 CA SER A 54 5.032 21.119 4.729 1.00 24.45 C ATOM 509 C SER A 54 5.763 20.320 3.638 1.00 25.51 C ATOM 510 O SER A 54 5.225 19.362 3.078 1.00 30.58 O ATOM 511 CB SER A 54 4.466 22.409 4.134 1.00 31.17 C ATOM 512 OG SER A 54 3.610 22.112 3.043 1.00 34.85 O ATOM 513 HG SER A 54 4.121 21.630 2.345 1.00 0.00 H ATOM 514 H SER A 54 6.110 22.411 6.110 1.00 0.00 H ATOM 515 N ASP A 55 6.997 20.716 3.356 1.00 28.05 N ATOM 516 CA ASP A 55 7.818 20.075 2.334 1.00 26.98 C ATOM 517 C ASP A 55 8.268 18.664 2.715 1.00 37.94 C ATOM 518 O ASP A 55 8.766 17.920 1.875 1.00 32.33 O ATOM 519 CB ASP A 55 9.047 20.927 2.015 1.00 26.82 C ATOM 520 CG ASP A 55 8.705 22.161 1.191 1.00 47.42 C ATOM 521 OD1 ASP A 55 7.590 22.219 0.619 1.00 46.04 O ATOM 522 OD2 ASP A 55 9.556 23.073 1.110 1.00 52.13 O ATOM 523 H ASP A 55 7.396 21.517 3.886 1.00 0.00 H ATOM 524 N ALA A 56 8.104 18.300 3.980 1.00 29.17 N ATOM 525 CA ALA A 56 8.416 16.946 4.408 1.00 29.62 C ATOM 526 C ALA A 56 7.460 15.933 3.773 1.00 35.07 C ATOM 527 O ALA A 56 7.794 14.759 3.632 1.00 35.82 O ATOM 528 CB ALA A 56 8.359 16.849 5.915 1.00 26.67 C ATOM 529 H ALA A 56 7.749 18.990 4.672 1.00 0.00 H ATOM 530 N SER A 57 6.269 16.394 3.402 1.00 33.21 N ATOM 531 CA SER A 57 5.302 15.568 2.690 1.00 35.71 C ATOM 532 C SER A 57 4.433 16.423 1.766 1.00 31.38 C ATOM 533 O SER A 57 3.359 16.877 2.156 1.00 30.36 O ATOM 534 CB SER A 57 4.423 14.788 3.671 1.00 33.60 C ATOM 535 OG SER A 57 3.646 13.815 2.984 1.00 48.83 O ATOM 536 HG SER A 57 3.086 13.322 3.635 1.00 0.00 H ATOM 537 H SER A 57 6.019 17.378 3.628 1.00 0.00 H ATOM 538 N LYS A 58 4.906 16.644 0.543 1.00 35.84 N ATOM 539 CA LYS A 58 4.195 17.482 -0.418 1.00 40.18 C ATOM 540 C LYS A 58 2.821 16.897 -0.714 1.00 39.09 C ATOM 541 O LYS A 58 2.651 15.681 -0.686 1.00 34.87 O ATOM 542 CB LYS A 58 5.006 17.605 -1.706 1.00 57.47 C ATOM 543 CG LYS A 58 6.429 18.077 -1.479 1.00 48.97 C ATOM 544 CD LYS A 58 7.298 17.839 -2.698 1.00 65.23 C ATOM 545 CE LYS A 58 8.754 18.071 -2.358 1.00 69.81 C ATOM 546 NZ LYS A 58 8.930 19.381 -1.667 1.00 71.14 N ATOM 547 HZ1 LYS A 58 8.603 20.147 -2.290 1.00 0.00 H ATOM 548 HZ2 LYS A 58 8.374 19.386 -0.788 1.00 0.00 H ATOM 549 HZ3 LYS A 58 9.936 19.521 -1.443 1.00 0.00 H ATOM 550 H LYS A 58 5.808 16.208 0.263 1.00 0.00 H ATOM 551 N HIS A 59 1.851 17.774 -0.963 1.00 39.30 N ATOM 552 CA HIS A 59 0.461 17.394 -1.257 1.00 45.12 C ATOM 553 C HIS A 59 -0.326 16.967 -0.015 1.00 35.41 C ATOM 554 O HIS A 59 -1.529 16.738 -0.089 1.00 45.31 O ATOM 555 CB HIS A 59 0.382 16.309 -2.344 1.00 53.90 C ATOM 556 CG HIS A 59 -0.788 16.458 -3.267 1.00 65.93 C ATOM 557 ND1 HIS A 59 -0.992 17.588 -4.031 1.00 65.20 N ATOM 558 CD2 HIS A 59 -1.807 15.614 -3.561 1.00 59.20 C ATOM 559 CE1 HIS A 59 -2.092 17.438 -4.749 1.00 45.25 C ATOM 560 NE2 HIS A 59 -2.605 16.249 -4.484 1.00 63.36 N ATOM 561 H HIS A 59 2.090 18.786 -0.949 1.00 0.00 H ATOM 562 N ARG A 60 0.351 16.869 1.127 1.00 35.86 N ATOM 563 CA ARG A 60 -0.322 16.495 2.369 1.00 25.94 C ATOM 564 C ARG A 60 -0.812 17.699 3.186 1.00 28.07 C ATOM 565 O ARG A 60 -1.866 17.644 3.820 1.00 29.32 O ATOM 566 CB ARG A 60 0.601 15.640 3.238 1.00 27.17 C ATOM 567 CG ARG A 60 -0.043 15.222 4.545 1.00 27.79 C ATOM 568 CD ARG A 60 0.878 14.337 5.362 1.00 28.20 C ATOM 569 NE ARG A 60 0.342 14.125 6.703 1.00 33.01 N ATOM 570 CZ ARG A 60 0.868 13.286 7.591 1.00 36.37 C ATOM 571 NH1 ARG A 60 1.931 12.558 7.275 1.00 30.52 N ATOM 572 NH2 ARG A 60 0.317 13.159 8.789 1.00 29.84 N ATOM 573 HE ARG A 60 -0.503 14.663 6.981 1.00 0.00 H ATOM 574 HH12 ARG A 60 2.339 11.903 7.973 1.00 0.00 H ATOM 575 HH11 ARG A 60 2.356 12.642 6.330 1.00 0.00 H ATOM 576 HH22 ARG A 60 0.728 12.503 9.484 1.00 0.00 H ATOM 577 HH21 ARG A 60 -0.527 13.715 9.035 1.00 0.00 H ATOM 578 H ARG A 60 1.373 17.061 1.135 1.00 0.00 H ATOM 579 N PHE A 61 -0.039 18.780 3.186 1.00 24.81 N ATOM 580 CA PHE A 61 -0.353 19.926 4.039 1.00 25.61 C ATOM 581 C PHE A 61 -0.751 21.163 3.246 1.00 31.95 C ATOM 582 O PHE A 61 -0.139 21.470 2.229 1.00 35.45 O ATOM 583 CB PHE A 61 0.851 20.291 4.909 1.00 19.49 C ATOM 584 CG PHE A 61 1.331 19.172 5.790 1.00 22.69 C ATOM 585 CD1 PHE A 61 0.682 18.880 6.979 1.00 22.13 C ATOM 586 CD2 PHE A 61 2.445 18.428 5.432 1.00 23.92 C ATOM 587 CE1 PHE A 61 1.129 17.850 7.789 1.00 25.69 C ATOM 588 CE2 PHE A 61 2.899 17.405 6.239 1.00 22.35 C ATOM 589 CZ PHE A 61 2.239 17.115 7.415 1.00 23.09 C ATOM 590 H PHE A 61 0.800 18.812 2.572 1.00 0.00 H ATOM 591 N GLU A 62 -1.773 21.873 3.722 1.00 24.72 N ATOM 592 CA GLU A 62 -2.063 23.210 3.226 1.00 27.14 C ATOM 593 C GLU A 62 -1.372 24.203 4.146 1.00 25.46 C ATOM 594 O GLU A 62 -1.482 24.103 5.357 1.00 25.84 O ATOM 595 CB GLU A 62 -3.563 23.493 3.244 1.00 21.62 C ATOM 596 CG GLU A 62 -3.965 24.624 2.301 1.00 28.01 C ATOM 597 CD GLU A 62 -3.852 24.201 0.846 1.00 36.25 C ATOM 598 OE1 GLU A 62 -4.498 23.193 0.478 1.00 36.46 O ATOM 599 OE2 GLU A 62 -3.098 24.851 0.084 1.00 39.02 O ATOM 600 H GLU A 62 -2.376 21.463 4.464 1.00 0.00 H ATOM 601 N ILE A 63 -0.665 25.161 3.573 1.00 21.73 N ATOM 602 CA ILE A 63 0.008 26.176 4.365 1.00 24.33 C ATOM 603 C ILE A 63 -0.923 27.355 4.663 1.00 27.75 C ATOM 604 O ILE A 63 -1.565 27.898 3.763 1.00 25.87 O ATOM 605 CB ILE A 63 1.273 26.664 3.641 1.00 24.52 C ATOM 606 CG1 ILE A 63 2.212 25.480 3.400 1.00 26.80 C ATOM 607 CG2 ILE A 63 1.992 27.728 4.461 1.00 25.40 C ATOM 608 CD1 ILE A 63 3.464 25.856 2.653 1.00 38.45 C ATOM 609 H ILE A 63 -0.589 25.189 2.536 1.00 0.00 H ATOM 610 N ILE A 64 -1.000 27.731 5.934 1.00 26.28 N ATOM 611 CA ILE A 64 -1.818 28.862 6.376 1.00 24.50 C ATOM 612 C ILE A 64 -0.905 30.050 6.719 1.00 33.42 C ATOM 613 O ILE A 64 -1.128 31.171 6.259 1.00 27.06 O ATOM 614 CB ILE A 64 -2.654 28.487 7.620 1.00 27.15 C ATOM 615 CG1 ILE A 64 -3.382 27.157 7.405 1.00 33.75 C ATOM 616 CG2 ILE A 64 -3.650 29.595 7.973 1.00 23.50 C ATOM 617 CD1 ILE A 64 -4.382 27.192 6.288 1.00 32.20 C ATOM 618 H ILE A 64 -0.457 27.200 6.645 1.00 0.00 H ATOM 619 N GLU A 65 0.134 29.787 7.508 1.00 23.43 N ATOM 620 CA GLU A 65 1.117 30.811 7.887 1.00 24.77 C ATOM 621 C GLU A 65 1.735 31.487 6.674 1.00 30.59 C ATOM 622 O GLU A 65 1.954 30.858 5.645 1.00 29.93 O ATOM 623 CB GLU A 65 2.237 30.197 8.733 1.00 22.01 C ATOM 624 CG GLU A 65 3.217 31.216 9.352 1.00 23.22 C ATOM 625 CD GLU A 65 2.510 32.201 10.265 1.00 33.44 C ATOM 626 OE1 GLU A 65 2.155 33.293 9.759 1.00 31.19 O ATOM 627 OE2 GLU A 65 2.280 31.871 11.469 1.00 23.18 O ATOM 628 H GLU A 65 0.255 28.820 7.870 1.00 0.00 H ATOM 629 N GLY A 66 2.028 32.774 6.801 1.00 27.59 N ATOM 630 CA GLY A 66 2.703 33.484 5.735 1.00 23.13 C ATOM 631 C GLY A 66 1.745 34.198 4.797 1.00 29.67 C ATOM 632 O GLY A 66 2.153 35.060 4.034 1.00 33.96 O ATOM 633 H GLY A 66 1.771 33.278 7.674 1.00 0.00 H ATOM 634 N ARG A 67 0.470 33.834 4.842 1.00 31.18 N ATOM 635 CA ARG A 67 -0.542 34.549 4.072 1.00 33.34 C ATOM 636 C ARG A 67 -0.980 35.767 4.873 1.00 37.17 C ATOM 637 O ARG A 67 -0.848 35.787 6.099 1.00 28.76 O ATOM 638 CB ARG A 67 -1.753 33.654 3.810 1.00 28.62 C ATOM 639 CG ARG A 67 -1.437 32.326 3.129 1.00 32.47 C ATOM 640 CD ARG A 67 -2.711 31.525 2.882 1.00 28.31 C ATOM 641 NE ARG A 67 -2.445 30.149 2.458 1.00 28.52 N ATOM 642 CZ ARG A 67 -2.577 29.706 1.213 1.00 34.78 C ATOM 643 NH1 ARG A 67 -2.977 30.527 0.251 1.00 30.73 N ATOM 644 NH2 ARG A 67 -2.317 28.431 0.933 1.00 25.22 N ATOM 645 HE ARG A 67 -2.131 29.472 3.182 1.00 0.00 H ATOM 646 HH12 ARG A 67 -3.079 30.176 -0.723 1.00 0.00 H ATOM 647 HH11 ARG A 67 -3.188 31.521 0.471 1.00 0.00 H ATOM 648 HH22 ARG A 67 -2.419 28.081 -0.041 1.00 0.00 H ATOM 649 HH21 ARG A 67 -2.011 27.785 1.688 1.00 0.00 H ATOM 650 H ARG A 67 0.188 33.027 5.435 1.00 0.00 H ATOM 651 N ASP A 68 -1.509 36.783 4.198 1.00 35.52 N ATOM 652 CA ASP A 68 -2.104 37.896 4.922 1.00 31.56 C ATOM 653 C ASP A 68 -3.314 37.373 5.694 1.00 33.70 C ATOM 654 O ASP A 68 -3.900 36.356 5.332 1.00 35.63 O ATOM 655 CB ASP A 68 -2.472 39.053 3.987 1.00 49.40 C ATOM 656 CG ASP A 68 -3.490 38.655 2.935 1.00 47.66 C ATOM 657 OD1 ASP A 68 -4.706 38.746 3.217 1.00 50.52 O ATOM 658 OD2 ASP A 68 -3.071 38.248 1.829 1.00 71.21 O ATOM 659 H ASP A 68 -1.498 36.782 3.158 1.00 0.00 H ATOM 660 N ARG A 69 -3.673 38.068 6.766 1.00 30.83 N ATOM 661 CA ARG A 69 -4.644 37.563 7.735 1.00 35.99 C ATOM 662 C ARG A 69 -6.010 37.203 7.135 1.00 38.11 C ATOM 663 O ARG A 69 -6.596 36.154 7.455 1.00 38.75 O ATOM 664 CB ARG A 69 -4.816 38.572 8.875 1.00 32.25 C ATOM 665 CG ARG A 69 -5.741 38.100 9.965 1.00 45.46 C ATOM 666 CD ARG A 69 -5.787 39.057 11.145 1.00 44.84 C ATOM 667 NE ARG A 69 -6.804 38.614 12.093 1.00 65.61 N ATOM 668 CZ ARG A 69 -6.595 37.714 13.049 1.00 70.95 C ATOM 669 NH1 ARG A 69 -7.586 37.360 13.857 1.00 67.99 N ATOM 670 NH2 ARG A 69 -5.394 37.169 13.203 1.00 59.82 N ATOM 671 HE ARG A 69 -7.754 39.029 12.016 1.00 0.00 H ATOM 672 HH12 ARG A 69 -7.421 36.656 14.604 1.00 0.00 H ATOM 673 HH11 ARG A 69 -8.528 37.787 13.743 1.00 0.00 H ATOM 674 HH22 ARG A 69 -5.234 36.465 13.952 1.00 0.00 H ATOM 675 HH21 ARG A 69 -4.613 37.446 12.575 1.00 0.00 H ATOM 676 H ARG A 69 -3.249 39.005 6.922 1.00 0.00 H ATOM 677 N THR A 70 -6.512 38.080 6.269 1.00 38.88 N ATOM 678 CA THR A 70 -7.813 37.887 5.635 1.00 38.90 C ATOM 679 C THR A 70 -7.794 36.641 4.756 1.00 25.76 C ATOM 680 O THR A 70 -8.674 35.786 4.837 1.00 37.16 O ATOM 681 CB THR A 70 -8.213 39.113 4.785 1.00 39.90 C ATOM 682 OG1 THR A 70 -8.333 40.261 5.633 1.00 42.80 O ATOM 683 CG2 THR A 70 -9.543 38.869 4.096 1.00 44.25 C ATOM 684 HG1 THR A 70 -7.465 40.434 6.076 1.00 0.00 H ATOM 685 H THR A 70 -5.960 38.930 6.036 1.00 0.00 H ATOM 686 N MET A 71 -6.767 36.537 3.929 1.00 27.15 N ATOM 687 CA MET A 71 -6.585 35.349 3.107 1.00 36.31 C ATOM 688 C MET A 71 -6.403 34.079 3.952 1.00 36.22 C ATOM 689 O MET A 71 -6.920 33.012 3.612 1.00 35.52 O ATOM 690 CB MET A 71 -5.415 35.561 2.143 1.00 25.75 C ATOM 691 CG MET A 71 -5.192 34.446 1.115 1.00 53.34 C ATOM 692 SD MET A 71 -6.556 34.069 -0.030 1.00 46.90 S ATOM 693 CE MET A 71 -7.384 35.642 -0.159 1.00 40.73 C ATOM 694 H MET A 71 -6.080 37.315 3.865 1.00 0.00 H ATOM 695 N ALA A 72 -5.688 34.203 5.065 1.00 32.82 N ATOM 696 CA ALA A 72 -5.456 33.063 5.940 1.00 29.39 C ATOM 697 C ALA A 72 -6.780 32.532 6.475 1.00 26.94 C ATOM 698 O ALA A 72 -7.039 31.322 6.447 1.00 27.19 O ATOM 699 CB ALA A 72 -4.527 33.452 7.086 1.00 31.45 C ATOM 700 H ALA A 72 -5.288 35.130 5.315 1.00 0.00 H ATOM 701 N TRP A 73 -7.636 33.441 6.936 1.00 27.53 N ATOM 702 CA TRP A 73 -8.958 33.037 7.409 1.00 33.59 C ATOM 703 C TRP A 73 -9.855 32.521 6.289 1.00 30.45 C ATOM 704 O TRP A 73 -10.648 31.605 6.493 1.00 30.27 O ATOM 705 CB TRP A 73 -9.644 34.172 8.170 1.00 36.69 C ATOM 706 CG TRP A 73 -9.186 34.247 9.571 1.00 29.31 C ATOM 707 CD1 TRP A 73 -8.443 35.237 10.142 1.00 36.15 C ATOM 708 CD2 TRP A 73 -9.400 33.266 10.582 1.00 28.18 C ATOM 709 NE1 TRP A 73 -8.195 34.937 11.459 1.00 32.59 N ATOM 710 CE2 TRP A 73 -8.775 33.732 11.754 1.00 31.39 C ATOM 711 CE3 TRP A 73 -10.073 32.042 10.615 1.00 30.71 C ATOM 712 CZ2 TRP A 73 -8.798 33.018 12.941 1.00 30.42 C ATOM 713 CZ3 TRP A 73 -10.095 31.332 11.801 1.00 33.68 C ATOM 714 CH2 TRP A 73 -9.463 31.824 12.947 1.00 36.48 C ATOM 715 HE1 TRP A 73 -7.655 35.528 12.123 1.00 0.00 H ATOM 716 H TRP A 73 -7.362 34.444 6.960 1.00 0.00 H ATOM 717 N THR A 74 -9.726 33.103 5.104 1.00 28.22 N ATOM 718 CA THR A 74 -10.464 32.609 3.949 1.00 34.40 C ATOM 719 C THR A 74 -10.117 31.146 3.665 1.00 31.10 C ATOM 720 O THR A 74 -10.998 30.304 3.450 1.00 29.69 O ATOM 721 CB THR A 74 -10.172 33.482 2.713 1.00 37.62 C ATOM 722 OG1 THR A 74 -10.666 34.803 2.957 1.00 36.56 O ATOM 723 CG2 THR A 74 -10.863 32.926 1.487 1.00 40.07 C ATOM 724 HG1 THR A 74 -10.213 35.182 3.752 1.00 0.00 H ATOM 725 H THR A 74 -9.092 33.920 4.998 1.00 0.00 H ATOM 726 N VAL A 75 -8.823 30.847 3.692 1.00 28.36 N ATOM 727 CA VAL A 75 -8.349 29.488 3.480 1.00 25.71 C ATOM 728 C VAL A 75 -8.814 28.542 4.594 1.00 27.23 C ATOM 729 O VAL A 75 -9.245 27.413 4.324 1.00 26.35 O ATOM 730 CB VAL A 75 -6.803 29.449 3.310 1.00 25.70 C ATOM 731 CG1 VAL A 75 -6.284 28.016 3.322 1.00 25.01 C ATOM 732 CG2 VAL A 75 -6.409 30.130 2.018 1.00 21.01 C ATOM 733 H VAL A 75 -8.131 31.603 3.869 1.00 0.00 H ATOM 734 N VAL A 76 -8.745 29.005 5.841 1.00 29.28 N ATOM 735 CA VAL A 76 -9.185 28.186 6.972 1.00 27.35 C ATOM 736 C VAL A 76 -10.671 27.840 6.853 1.00 26.30 C ATOM 737 O VAL A 76 -11.066 26.672 6.941 1.00 27.96 O ATOM 738 CB VAL A 76 -8.911 28.884 8.322 1.00 26.04 C ATOM 739 CG1 VAL A 76 -9.663 28.188 9.443 1.00 26.30 C ATOM 740 CG2 VAL A 76 -7.411 28.894 8.620 1.00 26.65 C ATOM 741 H VAL A 76 -8.374 29.961 6.014 1.00 0.00 H ATOM 742 N ASN A 77 -11.485 28.866 6.635 1.00 29.62 N ATOM 743 CA ASN A 77 -12.919 28.690 6.418 1.00 32.74 C ATOM 744 C ASN A 77 -13.237 27.752 5.254 1.00 39.52 C ATOM 745 O ASN A 77 -14.089 26.874 5.383 1.00 39.21 O ATOM 746 CB ASN A 77 -13.591 30.049 6.224 1.00 34.70 C ATOM 747 CG ASN A 77 -13.598 30.873 7.495 1.00 47.10 C ATOM 748 OD1 ASN A 77 -13.614 30.327 8.599 1.00 46.82 O ATOM 749 ND2 ASN A 77 -13.582 32.191 7.351 1.00 47.41 N ATOM 750 HD22 ASN A 77 -13.569 32.610 6.399 1.00 0.00 H ATOM 751 HD21 ASN A 77 -13.583 32.806 8.190 1.00 0.00 H ATOM 752 H ASN A 77 -11.088 29.827 6.618 1.00 0.00 H ATOM 753 N SER A 78 -12.541 27.921 4.130 1.00 36.38 N ATOM 754 CA SER A 78 -12.742 27.034 2.984 1.00 31.10 C ATOM 755 C SER A 78 -12.416 25.585 3.327 1.00 34.93 C ATOM 756 O SER A 78 -13.145 24.669 2.943 1.00 32.50 O ATOM 757 CB SER A 78 -11.915 27.491 1.773 1.00 29.61 C ATOM 758 OG SER A 78 -12.035 26.568 0.694 1.00 32.19 O ATOM 759 HG SER A 78 -11.494 26.885 -0.072 1.00 0.00 H ATOM 760 H SER A 78 -11.847 28.693 4.067 1.00 0.00 H ATOM 761 N ILE A 79 -11.319 25.376 4.048 1.00 31.02 N ATOM 762 CA ILE A 79 -10.944 24.025 4.444 1.00 20.93 C ATOM 763 C ILE A 79 -11.995 23.416 5.359 1.00 32.93 C ATOM 764 O ILE A 79 -12.382 22.258 5.200 1.00 31.30 O ATOM 765 CB ILE A 79 -9.588 23.994 5.166 1.00 31.54 C ATOM 766 CG1 ILE A 79 -8.450 24.262 4.179 1.00 32.12 C ATOM 767 CG2 ILE A 79 -9.392 22.652 5.849 1.00 28.21 C ATOM 768 CD1 ILE A 79 -7.118 24.504 4.846 1.00 27.59 C ATOM 769 H ILE A 79 -10.725 26.181 4.331 1.00 0.00 H ATOM 770 N CYS A 80 -12.459 24.202 6.322 1.00 27.26 N ATOM 771 CA CYS A 80 -13.468 23.724 7.256 1.00 39.54 C ATOM 772 C CYS A 80 -14.736 23.330 6.515 1.00 39.18 C ATOM 773 O CYS A 80 -15.302 22.263 6.748 1.00 40.54 O ATOM 774 CB CYS A 80 -13.777 24.793 8.299 1.00 34.74 C ATOM 775 SG CYS A 80 -12.380 25.133 9.377 1.00 36.54 S ATOM 776 H CYS A 80 -12.097 25.173 6.411 1.00 0.00 H ATOM 777 N ASN A 81 -15.177 24.187 5.606 1.00 36.20 N ATOM 778 CA ASN A 81 -16.395 23.887 4.867 1.00 41.08 C ATOM 779 C ASN A 81 -16.248 22.687 3.942 1.00 40.86 C ATOM 780 O ASN A 81 -17.191 21.931 3.740 1.00 50.03 O ATOM 781 CB ASN A 81 -16.887 25.098 4.082 1.00 44.84 C ATOM 782 CG ASN A 81 -18.164 24.799 3.322 1.00 65.11 C ATOM 783 OD1 ASN A 81 -19.253 24.793 3.898 1.00 67.54 O ATOM 784 ND2 ASN A 81 -18.035 24.528 2.026 1.00 49.78 N ATOM 785 HD22 ASN A 81 -17.095 24.545 1.582 1.00 0.00 H ATOM 786 HD21 ASN A 81 -18.875 24.299 1.457 1.00 0.00 H ATOM 787 H ASN A 81 -14.657 25.068 5.422 1.00 0.00 H ATOM 788 N THR A 82 -15.057 22.513 3.384 1.00 41.28 N ATOM 789 CA THR A 82 -14.795 21.411 2.470 1.00 34.89 C ATOM 790 C THR A 82 -14.656 20.064 3.171 1.00 40.30 C ATOM 791 O THR A 82 -15.168 19.052 2.693 1.00 36.55 O ATOM 792 CB THR A 82 -13.510 21.680 1.651 1.00 34.66 C ATOM 793 OG1 THR A 82 -13.755 22.744 0.723 1.00 40.52 O ATOM 794 CG2 THR A 82 -13.089 20.442 0.883 1.00 36.00 C ATOM 795 HG1 THR A 82 -14.010 23.562 1.220 1.00 0.00 H ATOM 796 H THR A 82 -14.291 23.181 3.605 1.00 0.00 H ATOM 797 N THR A 83 -13.962 20.060 4.308 1.00 38.03 N ATOM 798 CA THR A 83 -13.587 18.829 4.996 1.00 37.29 C ATOM 799 C THR A 83 -14.469 18.548 6.203 1.00 36.37 C ATOM 800 O THR A 83 -14.468 17.442 6.738 1.00 43.89 O ATOM 801 CB THR A 83 -12.130 18.897 5.519 1.00 39.47 C ATOM 802 OG1 THR A 83 -12.025 19.925 6.514 1.00 34.90 O ATOM 803 CG2 THR A 83 -11.165 19.202 4.393 1.00 31.81 C ATOM 804 HG1 THR A 83 -12.273 20.796 6.114 1.00 0.00 H ATOM 805 H THR A 83 -13.676 20.970 4.722 1.00 0.00 H ATOM 806 N GLY A 84 -15.195 19.561 6.654 1.00 33.56 N ATOM 807 CA GLY A 84 -16.001 19.426 7.851 1.00 46.50 C ATOM 808 C GLY A 84 -15.196 19.590 9.127 1.00 56.10 C ATOM 809 O GLY A 84 -15.728 19.441 10.224 1.00 46.43 O ATOM 810 H GLY A 84 -15.186 20.466 6.142 1.00 0.00 H ATOM 811 N ALA A 85 -13.908 19.891 8.987 1.00 52.07 N ATOM 812 CA ALA A 85 -13.052 20.113 10.142 1.00 39.62 C ATOM 813 C ALA A 85 -13.579 21.288 10.951 1.00 37.75 C ATOM 814 O ALA A 85 -14.103 22.249 10.393 1.00 47.46 O ATOM 815 CB ALA A 85 -11.627 20.376 9.699 1.00 38.17 C ATOM 816 H ALA A 85 -13.504 19.969 8.032 1.00 0.00 H ATOM 817 N GLU A 86 -13.455 21.202 12.269 1.00 38.80 N ATOM 818 CA GLU A 86 -13.956 22.259 13.137 1.00 49.42 C ATOM 819 C GLU A 86 -13.100 23.509 13.031 1.00 41.27 C ATOM 820 O GLU A 86 -11.879 23.428 12.921 1.00 42.62 O ATOM 821 CB GLU A 86 -14.037 21.780 14.586 1.00 58.35 C ATOM 822 CG GLU A 86 -15.126 20.742 14.806 1.00 66.82 C ATOM 823 CD GLU A 86 -15.506 20.578 16.266 1.00 86.89 C ATOM 824 OE1 GLU A 86 -14.883 21.235 17.129 1.00 80.71 O ATOM 825 OE2 GLU A 86 -16.434 19.792 16.550 1.00 85.85 O ATOM 826 H GLU A 86 -12.994 20.369 12.688 1.00 0.00 H ATOM 827 N LYS A 87 -13.752 24.665 13.056 1.00 34.82 N ATOM 828 CA LYS A 87 -13.053 25.930 12.895 1.00 34.90 C ATOM 829 C LYS A 87 -12.311 26.334 14.164 1.00 46.41 C ATOM 830 O LYS A 87 -12.908 26.446 15.229 1.00 48.24 O ATOM 831 CB LYS A 87 -14.025 27.034 12.482 1.00 35.55 C ATOM 832 CG LYS A 87 -13.391 28.406 12.431 1.00 38.57 C ATOM 833 CD LYS A 87 -14.336 29.440 11.859 1.00 50.97 C ATOM 834 CE LYS A 87 -13.767 30.836 12.023 1.00 52.19 C ATOM 835 NZ LYS A 87 -14.479 31.829 11.174 1.00 61.68 N ATOM 836 HZ1 LYS A 87 -14.390 31.556 10.174 1.00 0.00 H ATOM 837 HZ2 LYS A 87 -15.484 31.853 11.440 1.00 0.00 H ATOM 838 HZ3 LYS A 87 -14.059 32.770 11.316 1.00 0.00 H ATOM 839 H LYS A 87 -14.783 24.666 13.193 1.00 0.00 H ATOM 840 N PRO A 88 -10.999 26.554 14.047 1.00 46.02 N ATOM 841 CA PRO A 88 -10.166 26.956 15.183 1.00 37.76 C ATOM 842 C PRO A 88 -10.389 28.409 15.583 1.00 40.28 C ATOM 843 O PRO A 88 -10.798 29.226 14.764 1.00 37.63 O ATOM 844 CB PRO A 88 -8.745 26.762 14.654 1.00 37.26 C ATOM 845 CG PRO A 88 -8.873 26.904 13.191 1.00 36.94 C ATOM 846 CD PRO A 88 -10.197 26.309 12.837 1.00 40.70 C ATOM 847 N LYS A 89 -10.103 28.713 16.844 1.00 43.20 N ATOM 848 CA LYS A 89 -10.285 30.047 17.407 1.00 30.76 C ATOM 849 C LYS A 89 -9.185 30.991 16.945 1.00 36.10 C ATOM 850 O LYS A 89 -9.429 32.160 16.636 1.00 33.82 O ATOM 851 CB LYS A 89 -10.287 29.941 18.934 1.00 46.98 C ATOM 852 CG LYS A 89 -10.429 31.247 19.697 1.00 61.70 C ATOM 853 CD LYS A 89 -10.526 30.952 21.192 1.00 68.61 C ATOM 854 CE LYS A 89 -10.553 32.213 22.031 1.00 69.42 C ATOM 855 NZ LYS A 89 -10.466 31.886 23.484 1.00 65.01 N ATOM 856 HZ1 LYS A 89 -11.273 31.287 23.752 1.00 0.00 H ATOM 857 HZ2 LYS A 89 -9.578 31.378 23.671 1.00 0.00 H ATOM 858 HZ3 LYS A 89 -10.486 32.766 24.038 1.00 0.00 H ATOM 859 H LYS A 89 -9.731 27.963 17.461 1.00 0.00 H ATOM 860 N PHE A 90 -7.964 30.471 16.913 1.00 30.56 N ATOM 861 CA PHE A 90 -6.810 31.229 16.458 1.00 32.64 C ATOM 862 C PHE A 90 -6.337 30.665 15.128 1.00 29.77 C ATOM 863 O PHE A 90 -6.543 29.483 14.848 1.00 32.53 O ATOM 864 CB PHE A 90 -5.684 31.138 17.487 1.00 40.54 C ATOM 865 CG PHE A 90 -6.046 31.709 18.832 1.00 45.72 C ATOM 866 CD1 PHE A 90 -6.666 30.926 19.788 1.00 46.26 C ATOM 867 CD2 PHE A 90 -5.768 33.029 19.133 1.00 52.30 C ATOM 868 CE1 PHE A 90 -7.000 31.451 21.016 1.00 56.70 C ATOM 869 CE2 PHE A 90 -6.098 33.557 20.358 1.00 51.79 C ATOM 870 CZ PHE A 90 -6.715 32.767 21.302 1.00 47.64 C ATOM 871 H PHE A 90 -7.828 29.488 17.224 1.00 0.00 H ATOM 872 N LEU A 91 -5.714 31.512 14.313 1.00 28.18 N ATOM 873 CA LEU A 91 -5.095 31.068 13.073 1.00 31.03 C ATOM 874 C LEU A 91 -4.028 30.026 13.357 1.00 31.45 C ATOM 875 O LEU A 91 -3.113 30.266 14.145 1.00 23.94 O ATOM 876 CB LEU A 91 -4.431 32.233 12.347 1.00 30.01 C ATOM 877 CG LEU A 91 -5.245 33.103 11.395 1.00 38.95 C ATOM 878 CD1 LEU A 91 -4.322 34.093 10.731 1.00 29.91 C ATOM 879 CD2 LEU A 91 -5.950 32.253 10.362 1.00 28.66 C ATOM 880 H LEU A 91 -5.668 32.519 14.569 1.00 0.00 H ATOM 881 N PRO A 92 -4.141 28.865 12.712 1.00 22.24 N ATOM 882 CA PRO A 92 -3.140 27.803 12.821 1.00 28.62 C ATOM 883 C PRO A 92 -2.077 27.985 11.741 1.00 20.61 C ATOM 884 O PRO A 92 -2.155 28.931 10.959 1.00 21.73 O ATOM 885 CB PRO A 92 -3.965 26.541 12.564 1.00 28.45 C ATOM 886 CG PRO A 92 -4.989 26.996 11.579 1.00 32.24 C ATOM 887 CD PRO A 92 -5.333 28.427 11.964 1.00 29.79 C ATOM 888 N ASP A 93 -1.091 27.094 11.687 1.00 18.86 N ATOM 889 CA ASP A 93 -0.012 27.233 10.707 1.00 22.04 C ATOM 890 C ASP A 93 -0.217 26.373 9.469 1.00 19.47 C ATOM 891 O ASP A 93 0.121 26.787 8.356 1.00 18.78 O ATOM 892 CB ASP A 93 1.318 26.883 11.340 1.00 18.32 C ATOM 893 CG ASP A 93 1.756 27.932 12.335 1.00 21.22 C ATOM 894 OD1 ASP A 93 1.734 29.121 11.960 1.00 17.85 O ATOM 895 OD2 ASP A 93 2.091 27.568 13.479 1.00 16.72 O ATOM 896 H ASP A 93 -1.086 26.291 12.347 1.00 0.00 H ATOM 897 N LEU A 94 -0.738 25.165 9.673 1.00 15.53 N ATOM 898 CA LEU A 94 -0.936 24.230 8.562 1.00 24.94 C ATOM 899 C LEU A 94 -2.274 23.529 8.700 1.00 27.35 C ATOM 900 O LEU A 94 -2.884 23.568 9.757 1.00 25.84 O ATOM 901 CB LEU A 94 0.155 23.153 8.555 1.00 16.71 C ATOM 902 CG LEU A 94 1.628 23.572 8.498 1.00 31.39 C ATOM 903 CD1 LEU A 94 2.513 22.381 8.780 1.00 26.41 C ATOM 904 CD2 LEU A 94 1.998 24.168 7.157 1.00 18.14 C ATOM 905 H LEU A 94 -1.009 24.880 10.636 1.00 0.00 H ATOM 906 N TYR A 95 -2.721 22.893 7.619 1.00 22.81 N ATOM 907 CA TYR A 95 -3.759 21.878 7.708 1.00 23.74 C ATOM 908 C TYR A 95 -3.206 20.555 7.188 1.00 22.83 C ATOM 909 O TYR A 95 -2.546 20.511 6.160 1.00 24.36 O ATOM 910 CB TYR A 95 -5.013 22.259 6.925 1.00 25.40 C ATOM 911 CG TYR A 95 -6.098 21.218 7.072 1.00 26.72 C ATOM 912 CD1 TYR A 95 -6.862 21.153 8.229 1.00 29.66 C ATOM 913 CD2 TYR A 95 -6.334 20.281 6.067 1.00 28.90 C ATOM 914 CE1 TYR A 95 -7.845 20.193 8.384 1.00 33.04 C ATOM 915 CE2 TYR A 95 -7.314 19.315 6.212 1.00 27.90 C ATOM 916 CZ TYR A 95 -8.066 19.276 7.370 1.00 33.12 C ATOM 917 OH TYR A 95 -9.042 18.318 7.520 1.00 36.17 O ATOM 918 HH TYR A 95 -8.631 17.419 7.469 1.00 0.00 H ATOM 919 H TYR A 95 -2.318 23.127 6.689 1.00 0.00 H ATOM 920 N ASP A 96 -3.473 19.485 7.920 1.00 23.07 N ATOM 921 CA ASP A 96 -3.002 18.155 7.579 1.00 25.90 C ATOM 922 C ASP A 96 -4.160 17.415 6.915 1.00 29.06 C ATOM 923 O ASP A 96 -5.098 16.994 7.596 1.00 28.06 O ATOM 924 CB ASP A 96 -2.584 17.429 8.868 1.00 24.06 C ATOM 925 CG ASP A 96 -1.914 16.089 8.606 1.00 35.51 C ATOM 926 OD1 ASP A 96 -2.075 15.523 7.502 1.00 29.63 O ATOM 927 OD2 ASP A 96 -1.222 15.599 9.526 1.00 31.97 O ATOM 928 H ASP A 96 -4.047 19.603 8.779 1.00 0.00 H ATOM 929 N TYR A 97 -4.101 17.260 5.593 1.00 29.28 N ATOM 930 CA TYR A 97 -5.180 16.578 4.870 1.00 30.14 C ATOM 931 C TYR A 97 -5.258 15.097 5.231 1.00 36.74 C ATOM 932 O TYR A 97 -6.320 14.489 5.151 1.00 40.14 O ATOM 933 CB TYR A 97 -5.048 16.751 3.350 1.00 31.10 C ATOM 934 CG TYR A 97 -5.467 18.121 2.874 1.00 29.01 C ATOM 935 CD1 TYR A 97 -6.798 18.519 2.941 1.00 26.37 C ATOM 936 CD2 TYR A 97 -4.532 19.018 2.368 1.00 27.99 C ATOM 937 CE1 TYR A 97 -7.189 19.772 2.521 1.00 28.39 C ATOM 938 CE2 TYR A 97 -4.914 20.278 1.946 1.00 29.61 C ATOM 939 CZ TYR A 97 -6.247 20.645 2.024 1.00 26.27 C ATOM 940 OH TYR A 97 -6.637 21.892 1.599 1.00 30.50 O ATOM 941 HH TYR A 97 -7.614 21.991 1.723 1.00 0.00 H ATOM 942 H TYR A 97 -3.281 17.626 5.068 1.00 0.00 H ATOM 943 N LYS A 98 -4.129 14.529 5.643 1.00 30.21 N ATOM 944 CA LYS A 98 -4.076 13.118 6.005 1.00 30.92 C ATOM 945 C LYS A 98 -4.708 12.839 7.366 1.00 45.52 C ATOM 946 O LYS A 98 -5.622 12.029 7.465 1.00 43.46 O ATOM 947 CB LYS A 98 -2.638 12.613 5.973 1.00 31.62 C ATOM 948 CG LYS A 98 -2.491 11.154 6.372 1.00 40.37 C ATOM 949 CD LYS A 98 -1.045 10.727 6.297 1.00 40.59 C ATOM 950 CE LYS A 98 -0.896 9.221 6.406 1.00 50.87 C ATOM 951 NZ LYS A 98 0.479 8.800 6.027 1.00 56.58 N ATOM 952 HZ1 LYS A 98 0.670 9.087 5.046 1.00 0.00 H ATOM 953 HZ2 LYS A 98 1.166 9.253 6.662 1.00 0.00 H ATOM 954 HZ3 LYS A 98 0.559 7.766 6.109 1.00 0.00 H ATOM 955 H LYS A 98 -3.265 15.104 5.708 1.00 0.00 H ATOM 956 N GLU A 99 -4.233 13.516 8.411 1.00 40.42 N ATOM 957 CA GLU A 99 -4.775 13.314 9.757 1.00 37.81 C ATOM 958 C GLU A 99 -6.020 14.163 10.010 1.00 33.81 C ATOM 959 O GLU A 99 -6.595 14.125 11.095 1.00 46.12 O ATOM 960 CB GLU A 99 -3.709 13.595 10.827 1.00 31.03 C ATOM 961 CG GLU A 99 -2.494 12.682 10.754 1.00 39.34 C ATOM 962 CD GLU A 99 -2.801 11.251 11.170 1.00 53.64 C ATOM 963 OE1 GLU A 99 -2.126 10.325 10.670 1.00 58.24 O ATOM 964 OE2 GLU A 99 -3.715 11.055 11.999 1.00 51.16 O ATOM 965 H GLU A 99 -3.463 14.201 8.268 1.00 0.00 H ATOM 966 N ASN A 100 -6.419 14.941 9.006 1.00 32.58 N ATOM 967 CA ASN A 100 -7.639 15.754 9.059 1.00 35.67 C ATOM 968 C ASN A 100 -7.699 16.743 10.230 1.00 40.16 C ATOM 969 O ASN A 100 -8.696 16.808 10.941 1.00 38.00 O ATOM 970 CB ASN A 100 -8.891 14.866 9.077 1.00 44.43 C ATOM 971 CG ASN A 100 -8.837 13.756 8.044 1.00 59.42 C ATOM 972 OD1 ASN A 100 -8.864 12.573 8.388 1.00 55.74 O ATOM 973 ND2 ASN A 100 -8.754 14.132 6.769 1.00 41.23 N ATOM 974 HD22 ASN A 100 -8.734 15.143 6.525 1.00 0.00 H ATOM 975 HD21 ASN A 100 -8.709 13.415 6.017 1.00 0.00 H ATOM 976 H ASN A 100 -5.839 14.974 8.144 1.00 0.00 H ATOM 977 N ARG A 101 -6.639 17.518 10.424 1.00 28.91 N ATOM 978 CA ARG A 101 -6.599 18.480 11.520 1.00 29.16 C ATOM 979 C ARG A 101 -5.671 19.637 11.205 1.00 24.23 C ATOM 980 O ARG A 101 -4.761 19.511 10.384 1.00 24.73 O ATOM 981 CB ARG A 101 -6.118 17.787 12.792 1.00 23.55 C ATOM 982 CG ARG A 101 -4.730 17.198 12.657 1.00 28.73 C ATOM 983 CD ARG A 101 -4.441 16.165 13.755 1.00 24.41 C ATOM 984 NE ARG A 101 -3.088 15.632 13.620 1.00 27.77 N ATOM 985 CZ ARG A 101 -2.643 14.548 14.250 1.00 32.29 C ATOM 986 NH1 ARG A 101 -3.446 13.875 15.067 1.00 32.58 N ATOM 987 NH2 ARG A 101 -1.391 14.143 14.067 1.00 28.63 N ATOM 988 HE ARG A 101 -2.429 16.133 12.990 1.00 0.00 H ATOM 989 HH12 ARG A 101 -3.096 13.028 15.559 1.00 0.00 H ATOM 990 HH11 ARG A 101 -4.424 14.195 15.215 1.00 0.00 H ATOM 991 HH22 ARG A 101 -1.041 13.296 14.559 1.00 0.00 H ATOM 992 HH21 ARG A 101 -0.761 14.673 13.432 1.00 0.00 H ATOM 993 H ARG A 101 -5.823 17.438 9.784 1.00 0.00 H ATOM 994 N PHE A 102 -5.895 20.768 11.865 1.00 24.75 N ATOM 995 CA PHE A 102 -4.972 21.882 11.755 1.00 26.56 C ATOM 996 C PHE A 102 -3.762 21.630 12.639 1.00 27.23 C ATOM 997 O PHE A 102 -3.813 20.809 13.558 1.00 22.58 O ATOM 998 CB PHE A 102 -5.653 23.196 12.126 1.00 27.56 C ATOM 999 CG PHE A 102 -6.697 23.632 11.132 1.00 31.55 C ATOM 1000 CD1 PHE A 102 -6.330 24.275 9.962 1.00 25.00 C ATOM 1001 CD2 PHE A 102 -8.039 23.394 11.369 1.00 36.08 C ATOM 1002 CE1 PHE A 102 -7.290 24.679 9.043 1.00 30.48 C ATOM 1003 CE2 PHE A 102 -9.004 23.793 10.455 1.00 36.51 C ATOM 1004 CZ PHE A 102 -8.625 24.436 9.292 1.00 25.07 C ATOM 1005 H PHE A 102 -6.739 20.856 12.466 1.00 0.00 H ATOM 1006 N ILE A 103 -2.670 22.326 12.340 1.00 19.35 N ATOM 1007 CA ILE A 103 -1.432 22.184 13.095 1.00 15.59 C ATOM 1008 C ILE A 103 -0.905 23.567 13.452 1.00 19.05 C ATOM 1009 O ILE A 103 -0.856 24.456 12.587 1.00 22.10 O ATOM 1010 CB ILE A 103 -0.348 21.473 12.265 1.00 20.13 C ATOM 1011 CG1 ILE A 103 -0.833 20.098 11.797 1.00 21.84 C ATOM 1012 CG2 ILE A 103 0.926 21.326 13.065 1.00 20.12 C ATOM 1013 CD1 ILE A 103 0.188 19.384 10.914 1.00 26.64 C ATOM 1014 H ILE A 103 -2.700 22.993 11.542 1.00 0.00 H ATOM 1015 N GLU A 104 -0.546 23.728 14.729 1.00 20.33 N ATOM 1016 CA GLU A 104 0.187 24.877 15.242 1.00 21.89 C ATOM 1017 C GLU A 104 1.637 24.473 15.450 1.00 25.04 C ATOM 1018 O GLU A 104 1.929 23.544 16.202 1.00 21.05 O ATOM 1019 CB GLU A 104 -0.385 25.346 16.586 1.00 22.38 C ATOM 1020 CG GLU A 104 0.470 26.447 17.238 1.00 19.97 C ATOM 1021 CD GLU A 104 0.595 27.667 16.332 1.00 24.82 C ATOM 1022 OE1 GLU A 104 -0.433 28.065 15.748 1.00 21.25 O ATOM 1023 OE2 GLU A 104 1.717 28.200 16.172 1.00 24.22 O ATOM 1024 H GLU A 104 -0.808 22.981 15.403 1.00 0.00 H ATOM 1025 N ILE A 105 2.541 25.170 14.781 1.00 18.48 N ATOM 1026 CA ILE A 105 3.964 24.904 14.914 1.00 18.21 C ATOM 1027 C ILE A 105 4.548 25.978 15.813 1.00 27.53 C ATOM 1028 O ILE A 105 4.368 27.164 15.556 1.00 23.75 O ATOM 1029 CB ILE A 105 4.665 25.022 13.556 1.00 21.57 C ATOM 1030 CG1 ILE A 105 4.129 23.980 12.571 1.00 26.10 C ATOM 1031 CG2 ILE A 105 6.183 24.894 13.719 1.00 24.54 C ATOM 1032 CD1 ILE A 105 4.409 22.572 12.996 1.00 28.35 C ATOM 1033 H ILE A 105 2.225 25.928 14.143 1.00 0.00 H ATOM 1034 N GLY A 106 5.238 25.571 16.870 1.00 22.61 N ATOM 1035 CA GLY A 106 5.904 26.532 17.733 1.00 21.54 C ATOM 1036 C GLY A 106 7.401 26.371 17.597 1.00 26.58 C ATOM 1037 O GLY A 106 7.892 25.259 17.466 1.00 21.16 O ATOM 1038 H GLY A 106 5.303 24.555 17.083 1.00 0.00 H ATOM 1039 N VAL A 107 8.129 27.479 17.589 1.00 19.43 N ATOM 1040 CA VAL A 107 9.585 27.424 17.647 1.00 20.79 C ATOM 1041 C VAL A 107 10.038 28.317 18.796 1.00 26.81 C ATOM 1042 O VAL A 107 9.747 29.507 18.798 1.00 24.09 O ATOM 1043 CB VAL A 107 10.211 27.931 16.336 1.00 25.70 C ATOM 1044 CG1 VAL A 107 11.723 27.936 16.446 1.00 25.38 C ATOM 1045 CG2 VAL A 107 9.746 27.073 15.160 1.00 21.39 C ATOM 1046 H VAL A 107 7.654 28.403 17.541 1.00 0.00 H ATOM 1047 N THR A 108 10.744 27.761 19.777 1.00 21.47 N ATOM 1048 CA THR A 108 11.035 28.529 20.989 1.00 25.17 C ATOM 1049 C THR A 108 12.493 28.436 21.435 1.00 32.16 C ATOM 1050 O THR A 108 13.191 27.469 21.129 1.00 23.07 O ATOM 1051 CB THR A 108 10.113 28.085 22.147 1.00 27.28 C ATOM 1052 OG1 THR A 108 10.290 28.956 23.273 1.00 25.67 O ATOM 1053 CG2 THR A 108 10.441 26.656 22.576 1.00 22.30 C ATOM 1054 HG1 THR A 108 10.062 29.883 23.011 1.00 0.00 H ATOM 1055 H THR A 108 11.088 26.784 19.683 1.00 0.00 H ATOM 1056 N ARG A 109 12.944 29.465 22.147 1.00 25.93 N ATOM 1057 CA ARG A 109 14.244 29.460 22.811 1.00 34.45 C ATOM 1058 C ARG A 109 14.042 29.126 24.287 1.00 30.46 C ATOM 1059 O ARG A 109 15.003 28.967 25.033 1.00 38.31 O ATOM 1060 CB ARG A 109 14.942 30.829 22.681 1.00 37.90 C ATOM 1061 CG ARG A 109 15.294 31.258 21.249 1.00 38.78 C ATOM 1062 CD ARG A 109 14.141 32.010 20.548 1.00 35.53 C ATOM 1063 NE ARG A 109 14.276 33.466 20.638 1.00 33.20 N ATOM 1064 CZ ARG A 109 13.343 34.334 20.249 1.00 37.84 C ATOM 1065 NH1 ARG A 109 12.192 33.897 19.750 1.00 29.70 N ATOM 1066 NH2 ARG A 109 13.554 35.643 20.366 1.00 31.40 N ATOM 1067 HE ARG A 109 15.160 33.848 21.032 1.00 0.00 H ATOM 1068 HH12 ARG A 109 11.465 34.576 19.447 1.00 0.00 H ATOM 1069 HH11 ARG A 109 12.018 32.875 19.662 1.00 0.00 H ATOM 1070 HH22 ARG A 109 12.823 36.317 20.061 1.00 0.00 H ATOM 1071 HH21 ARG A 109 14.450 35.992 20.762 1.00 0.00 H ATOM 1072 H ARG A 109 12.344 30.310 22.234 1.00 0.00 H ATOM 1073 N ARG A 110 12.782 29.033 24.701 1.00 30.84 N ATOM 1074 CA ARG A 110 12.435 28.734 26.090 1.00 28.94 C ATOM 1075 C ARG A 110 12.308 27.226 26.347 1.00 33.43 C ATOM 1076 O ARG A 110 12.572 26.404 25.474 1.00 36.07 O ATOM 1077 CB ARG A 110 11.135 29.446 26.469 1.00 28.86 C ATOM 1078 CG ARG A 110 11.224 30.973 26.405 1.00 34.59 C ATOM 1079 CD ARG A 110 9.885 31.637 26.735 1.00 36.48 C ATOM 1080 NE ARG A 110 9.303 31.100 27.964 1.00 38.19 N ATOM 1081 CZ ARG A 110 8.006 30.881 28.142 1.00 28.93 C ATOM 1082 NH1 ARG A 110 7.146 31.147 27.166 1.00 35.35 N ATOM 1083 NH2 ARG A 110 7.565 30.388 29.296 1.00 31.88 N ATOM 1084 HE ARG A 110 9.947 30.875 28.749 1.00 0.00 H ATOM 1085 HH12 ARG A 110 6.130 30.975 27.307 1.00 0.00 H ATOM 1086 HH11 ARG A 110 7.488 31.527 26.261 1.00 0.00 H ATOM 1087 HH22 ARG A 110 6.548 30.217 29.434 1.00 0.00 H ATOM 1088 HH21 ARG A 110 8.237 30.174 30.060 1.00 0.00 H ATOM 1089 H ARG A 110 12.016 29.178 24.013 1.00 0.00 H ATOM 1090 N GLU A 111 11.904 26.867 27.554 1.00 36.30 N ATOM 1091 CA GLU A 111 11.728 25.463 27.904 1.00 39.93 C ATOM 1092 C GLU A 111 10.545 24.883 27.129 1.00 31.23 C ATOM 1093 O GLU A 111 9.435 25.408 27.211 1.00 31.35 O ATOM 1094 CB GLU A 111 11.517 25.338 29.414 1.00 35.94 C ATOM 1095 CG GLU A 111 11.883 23.984 29.994 1.00 47.02 C ATOM 1096 CD GLU A 111 10.838 22.933 29.706 1.00 51.04 C ATOM 1097 OE1 GLU A 111 9.635 23.243 29.866 1.00 45.37 O ATOM 1098 OE2 GLU A 111 11.217 21.807 29.305 1.00 54.01 O ATOM 1099 H GLU A 111 11.708 27.599 28.266 1.00 0.00 H ATOM 1100 N VAL A 112 10.779 23.808 26.372 1.00 29.20 N ATOM 1101 CA VAL A 112 9.764 23.279 25.449 1.00 29.45 C ATOM 1102 C VAL A 112 8.458 22.836 26.080 1.00 25.23 C ATOM 1103 O VAL A 112 7.400 23.034 25.492 1.00 27.75 O ATOM 1104 CB VAL A 112 10.265 22.073 24.600 1.00 35.91 C ATOM 1105 CG1 VAL A 112 11.125 22.545 23.475 1.00 35.63 C ATOM 1106 CG2 VAL A 112 10.990 21.066 25.462 1.00 42.42 C ATOM 1107 H VAL A 112 11.702 23.333 26.437 1.00 0.00 H ATOM 1108 N HIS A 113 8.532 22.204 27.248 1.00 28.53 N ATOM 1109 CA HIS A 113 7.331 21.738 27.927 1.00 27.45 C ATOM 1110 C HIS A 113 6.463 22.907 28.369 1.00 23.97 C ATOM 1111 O HIS A 113 5.236 22.874 28.223 1.00 27.52 O ATOM 1112 CB HIS A 113 7.680 20.889 29.151 1.00 31.96 C ATOM 1113 CG HIS A 113 8.596 19.743 28.854 1.00 45.17 C ATOM 1114 ND1 HIS A 113 9.969 19.846 28.946 1.00 47.80 N ATOM 1115 CD2 HIS A 113 8.338 18.470 28.472 1.00 47.20 C ATOM 1116 CE1 HIS A 113 10.517 18.686 28.630 1.00 53.67 C ATOM 1117 NE2 HIS A 113 9.549 17.834 28.338 1.00 59.13 N ATOM 1118 H HIS A 113 9.462 22.040 27.683 1.00 0.00 H ATOM 1119 N ILE A 114 7.089 23.938 28.925 1.00 29.97 N ATOM 1120 CA ILE A 114 6.323 25.092 29.377 1.00 31.04 C ATOM 1121 C ILE A 114 5.715 25.795 28.165 1.00 21.55 C ATOM 1122 O ILE A 114 4.537 26.114 28.162 1.00 25.24 O ATOM 1123 CB ILE A 114 7.174 26.090 30.197 1.00 31.07 C ATOM 1124 CG1 ILE A 114 7.825 25.396 31.404 1.00 38.88 C ATOM 1125 CG2 ILE A 114 6.319 27.264 30.656 1.00 28.82 C ATOM 1126 CD1 ILE A 114 6.863 24.639 32.253 1.00 28.29 C ATOM 1127 H ILE A 114 8.123 23.922 29.037 1.00 0.00 H ATOM 1128 N TYR A 115 6.527 26.017 27.134 1.00 24.03 N ATOM 1129 CA TYR A 115 6.035 26.628 25.903 1.00 30.05 C ATOM 1130 C TYR A 115 4.841 25.843 25.349 1.00 28.37 C ATOM 1131 O TYR A 115 3.813 26.426 24.968 1.00 27.12 O ATOM 1132 CB TYR A 115 7.146 26.724 24.853 1.00 27.32 C ATOM 1133 CG TYR A 115 6.759 27.577 23.663 1.00 28.29 C ATOM 1134 CD1 TYR A 115 6.968 28.955 23.673 1.00 34.33 C ATOM 1135 CD2 TYR A 115 6.170 27.009 22.539 1.00 32.05 C ATOM 1136 CE1 TYR A 115 6.607 29.740 22.587 1.00 24.91 C ATOM 1137 CE2 TYR A 115 5.811 27.784 21.452 1.00 35.62 C ATOM 1138 CZ TYR A 115 6.028 29.147 21.482 1.00 35.77 C ATOM 1139 OH TYR A 115 5.663 29.918 20.399 1.00 42.78 O ATOM 1140 HH TYR A 115 6.154 29.611 19.596 1.00 0.00 H ATOM 1141 H TYR A 115 7.530 25.750 27.207 1.00 0.00 H ATOM 1142 N TYR A 116 4.972 24.516 25.336 1.00 26.10 N ATOM 1143 CA TYR A 116 3.897 23.659 24.856 1.00 20.24 C ATOM 1144 C TYR A 116 2.633 23.891 25.667 1.00 26.28 C ATOM 1145 O TYR A 116 1.545 24.047 25.109 1.00 29.16 O ATOM 1146 CB TYR A 116 4.267 22.176 24.939 1.00 29.93 C ATOM 1147 CG TYR A 116 3.101 21.288 24.559 1.00 30.67 C ATOM 1148 CD1 TYR A 116 2.827 21.009 23.223 1.00 25.45 C ATOM 1149 CD2 TYR A 116 2.254 20.752 25.531 1.00 31.53 C ATOM 1150 CE1 TYR A 116 1.749 20.217 22.866 1.00 29.91 C ATOM 1151 CE2 TYR A 116 1.176 19.964 25.180 1.00 39.52 C ATOM 1152 CZ TYR A 116 0.930 19.697 23.845 1.00 35.82 C ATOM 1153 OH TYR A 116 -0.138 18.908 23.485 1.00 43.40 O ATOM 1154 HH TYR A 116 -0.165 18.821 22.499 1.00 0.00 H ATOM 1155 H TYR A 116 5.857 24.086 25.674 1.00 0.00 H ATOM 1156 N LEU A 117 2.779 23.885 26.988 1.00 27.94 N ATOM 1157 CA LEU A 117 1.635 24.018 27.893 1.00 26.71 C ATOM 1158 C LEU A 117 0.944 25.375 27.748 1.00 24.47 C ATOM 1159 O LEU A 117 -0.280 25.472 27.795 1.00 30.24 O ATOM 1160 CB LEU A 117 2.077 23.796 29.338 1.00 34.52 C ATOM 1161 CG LEU A 117 2.519 22.369 29.678 1.00 37.54 C ATOM 1162 CD1 LEU A 117 3.240 22.337 31.011 1.00 39.98 C ATOM 1163 CD2 LEU A 117 1.330 21.412 29.690 1.00 37.39 C ATOM 1164 H LEU A 117 3.733 23.783 27.391 1.00 0.00 H ATOM 1165 N GLU A 118 1.738 26.420 27.550 1.00 25.93 N ATOM 1166 CA GLU A 118 1.195 27.750 27.301 1.00 30.14 C ATOM 1167 C GLU A 118 0.394 27.787 25.995 1.00 44.68 C ATOM 1168 O GLU A 118 -0.730 28.303 25.959 1.00 35.01 O ATOM 1169 CB GLU A 118 2.316 28.793 27.280 1.00 30.36 C ATOM 1170 CG GLU A 118 2.831 29.141 28.680 1.00 37.56 C ATOM 1171 CD GLU A 118 4.059 30.040 28.673 1.00 36.32 C ATOM 1172 OE1 GLU A 118 4.549 30.392 27.576 1.00 39.80 O ATOM 1173 OE2 GLU A 118 4.541 30.390 29.775 1.00 37.38 O ATOM 1174 H GLU A 118 2.769 26.287 27.573 1.00 0.00 H ATOM 1175 N LYS A 119 0.963 27.222 24.930 1.00 36.32 N ATOM 1176 CA LYS A 119 0.265 27.187 23.643 1.00 37.49 C ATOM 1177 C LYS A 119 -1.042 26.407 23.758 1.00 34.72 C ATOM 1178 O LYS A 119 -2.088 26.864 23.299 1.00 35.88 O ATOM 1179 CB LYS A 119 1.155 26.598 22.544 1.00 32.33 C ATOM 1180 CG LYS A 119 2.063 27.618 21.863 1.00 33.11 C ATOM 1181 CD LYS A 119 1.578 27.917 20.444 1.00 53.73 C ATOM 1182 CE LYS A 119 2.625 28.663 19.618 1.00 35.88 C ATOM 1183 NZ LYS A 119 2.910 30.009 20.218 1.00 53.98 N ATOM 1184 HZ1 LYS A 119 2.035 30.570 20.240 1.00 0.00 H ATOM 1185 HZ2 LYS A 119 3.269 29.887 21.187 1.00 0.00 H ATOM 1186 HZ3 LYS A 119 3.624 30.500 19.642 1.00 0.00 H ATOM 1187 H LYS A 119 1.911 26.802 25.014 1.00 0.00 H ATOM 1188 N ALA A 120 -0.973 25.244 24.397 1.00 25.37 N ATOM 1189 CA ALA A 120 -2.127 24.377 24.575 1.00 26.96 C ATOM 1190 C ALA A 120 -3.190 25.012 25.446 1.00 53.21 C ATOM 1191 O ALA A 120 -4.371 24.694 25.318 1.00 47.08 O ATOM 1192 CB ALA A 120 -1.706 23.053 25.170 1.00 35.85 C ATOM 1193 H ALA A 120 -0.057 24.942 24.785 1.00 0.00 H ATOM 1194 N ASN A 121 -2.764 25.890 26.348 1.00 41.46 N ATOM 1195 CA ASN A 121 -3.708 26.619 27.180 1.00 48.81 C ATOM 1196 C ASN A 121 -4.415 27.675 26.349 1.00 52.64 C ATOM 1197 O ASN A 121 -5.630 27.829 26.429 1.00 58.92 O ATOM 1198 CB ASN A 121 -2.996 27.271 28.371 1.00 37.44 C ATOM 1199 CG ASN A 121 -3.963 27.927 29.342 1.00 47.12 C ATOM 1200 OD1 ASN A 121 -4.781 27.253 29.971 1.00 34.04 O ATOM 1201 ND2 ASN A 121 -3.863 29.245 29.479 1.00 44.82 N ATOM 1202 HD22 ASN A 121 -3.157 29.773 28.927 1.00 0.00 H ATOM 1203 HD21 ASN A 121 -4.490 29.748 30.138 1.00 0.00 H ATOM 1204 H ASN A 121 -1.744 26.058 26.460 1.00 0.00 H ATOM 1205 N LYS A 122 -3.646 28.396 25.538 1.00 48.30 N ATOM 1206 CA LYS A 122 -4.219 29.490 24.761 1.00 45.41 C ATOM 1207 C LYS A 122 -5.104 29.046 23.592 1.00 67.34 C ATOM 1208 O LYS A 122 -6.099 29.705 23.294 1.00 68.80 O ATOM 1209 CB LYS A 122 -3.137 30.454 24.274 1.00 51.88 C ATOM 1210 CG LYS A 122 -3.710 31.665 23.556 1.00 70.18 C ATOM 1211 CD LYS A 122 -2.726 32.812 23.464 1.00 65.88 C ATOM 1212 CE LYS A 122 -3.418 34.054 22.929 1.00 71.18 C ATOM 1213 NZ LYS A 122 -2.528 35.243 22.942 1.00 83.47 N ATOM 1214 HZ1 LYS A 122 -2.225 35.437 23.918 1.00 0.00 H ATOM 1215 HZ2 LYS A 122 -1.694 35.057 22.349 1.00 0.00 H ATOM 1216 HZ3 LYS A 122 -3.044 36.065 22.568 1.00 0.00 H ATOM 1217 H LYS A 122 -2.632 28.179 25.457 1.00 0.00 H ATOM 1218 N ILE A 123 -4.750 27.944 22.931 1.00 62.27 N ATOM 1219 CA ILE A 123 -5.521 27.492 21.772 1.00 70.42 C ATOM 1220 C ILE A 123 -6.988 27.274 22.128 1.00 76.16 C ATOM 1221 O ILE A 123 -7.874 27.621 21.345 1.00 78.76 O ATOM 1222 CB ILE A 123 -4.920 26.228 21.073 1.00 52.98 C ATOM 1223 CG1 ILE A 123 -4.486 25.175 22.094 1.00 63.34 C ATOM 1224 CG2 ILE A 123 -3.739 26.615 20.199 1.00 46.67 C ATOM 1225 CD1 ILE A 123 -5.552 24.165 22.487 1.00 46.06 C ATOM 1226 H ILE A 123 -3.919 27.401 23.241 1.00 0.00 H ATOM 1227 N LYS A 124 -7.231 26.747 23.328 1.00 73.73 N ATOM 1228 CA LYS A 124 -8.585 26.420 23.776 1.00 81.89 C ATOM 1229 C LYS A 124 -9.328 25.655 22.683 1.00 86.04 C ATOM 1230 O LYS A 124 -10.477 25.959 22.358 1.00 88.57 O ATOM 1231 CB LYS A 124 -9.346 27.688 24.181 1.00 85.37 C ATOM 1232 CG LYS A 124 -8.847 28.331 25.473 1.00 77.88 C ATOM 1233 CD LYS A 124 -9.363 27.590 26.703 1.00 76.53 C ATOM 1234 CE LYS A 124 -8.445 27.788 27.907 1.00 72.07 C ATOM 1235 NZ LYS A 124 -8.068 29.214 28.123 1.00 71.58 N ATOM 1236 HZ1 LYS A 124 -7.570 29.571 27.283 1.00 0.00 H ATOM 1237 HZ2 LYS A 124 -8.927 29.778 28.284 1.00 0.00 H ATOM 1238 HZ3 LYS A 124 -7.445 29.285 28.953 1.00 0.00 H ATOM 1239 H LYS A 124 -6.432 26.562 23.967 1.00 0.00 H ATOM 1240 N SER A 125 -8.638 24.675 22.109 1.00 76.25 N ATOM 1241 CA SER A 125 -9.134 23.915 20.972 1.00 71.38 C ATOM 1242 C SER A 125 -8.487 22.532 20.954 1.00 68.90 C ATOM 1243 O SER A 125 -7.348 22.374 20.511 1.00 69.72 O ATOM 1244 CB SER A 125 -8.820 24.645 19.659 1.00 74.22 C ATOM 1245 OG SER A 125 -9.583 25.835 19.506 1.00 58.53 O ATOM 1246 HG SER A 125 -9.384 26.451 20.255 1.00 0.00 H ATOM 1247 H SER A 125 -7.699 24.440 22.491 1.00 0.00 H ATOM 1248 N GLU A 126 -9.224 21.528 21.420 1.00 68.39 N ATOM 1249 CA GLU A 126 -8.724 20.153 21.476 1.00 75.79 C ATOM 1250 C GLU A 126 -8.500 19.548 20.087 1.00 69.78 C ATOM 1251 O GLU A 126 -8.057 18.405 19.951 1.00 65.80 O ATOM 1252 CB GLU A 126 -9.682 19.274 22.286 1.00 77.23 C ATOM 1253 CG GLU A 126 -11.144 19.387 21.868 1.00 80.36 C ATOM 1254 CD GLU A 126 -12.017 20.021 22.940 1.00 94.48 C ATOM 1255 OE1 GLU A 126 -11.460 20.549 23.926 1.00 89.48 O ATOM 1256 OE2 GLU A 126 -13.260 19.987 22.801 1.00 94.74 O ATOM 1257 H GLU A 126 -10.188 21.726 21.756 1.00 0.00 H ATOM 1258 N LYS A 127 -8.804 20.336 19.064 1.00 61.70 N ATOM 1259 CA LYS A 127 -8.734 19.912 17.677 1.00 49.66 C ATOM 1260 C LYS A 127 -7.340 20.113 17.077 1.00 56.35 C ATOM 1261 O LYS A 127 -6.717 19.157 16.613 1.00 50.89 O ATOM 1262 CB LYS A 127 -9.777 20.692 16.881 1.00 58.82 C ATOM 1263 CG LYS A 127 -9.898 22.150 17.330 1.00 57.25 C ATOM 1264 CD LYS A 127 -11.290 22.723 17.111 1.00 66.65 C ATOM 1265 CE LYS A 127 -12.195 22.484 18.310 1.00 65.88 C ATOM 1266 NZ LYS A 127 -13.558 23.054 18.091 1.00 50.79 N ATOM 1267 HZ1 LYS A 127 -13.483 24.079 17.935 1.00 0.00 H ATOM 1268 HZ2 LYS A 127 -13.990 22.606 17.258 1.00 0.00 H ATOM 1269 HZ3 LYS A 127 -14.147 22.872 18.929 1.00 0.00 H ATOM 1270 H LYS A 127 -9.109 21.310 19.266 1.00 0.00 H ATOM 1271 N THR A 128 -6.858 21.356 17.104 1.00 37.21 N ATOM 1272 CA THR A 128 -5.569 21.723 16.526 1.00 35.05 C ATOM 1273 C THR A 128 -4.409 20.982 17.194 1.00 36.63 C ATOM 1274 O THR A 128 -4.283 20.975 18.415 1.00 30.94 O ATOM 1275 CB THR A 128 -5.336 23.251 16.621 1.00 31.41 C ATOM 1276 OG1 THR A 128 -6.395 23.943 15.947 1.00 38.41 O ATOM 1277 CG2 THR A 128 -4.024 23.641 15.978 1.00 27.39 C ATOM 1278 HG1 THR A 128 -6.242 24.919 16.010 1.00 0.00 H ATOM 1279 H THR A 128 -7.427 22.099 17.558 1.00 0.00 H ATOM 1280 N HIS A 129 -3.575 20.348 16.378 1.00 25.82 N ATOM 1281 CA HIS A 129 -2.443 19.576 16.868 1.00 23.94 C ATOM 1282 C HIS A 129 -1.288 20.532 17.080 1.00 23.32 C ATOM 1283 O HIS A 129 -1.040 21.390 16.251 1.00 24.73 O ATOM 1284 CB HIS A 129 -2.049 18.525 15.821 1.00 26.11 C ATOM 1285 CG HIS A 129 -1.312 17.352 16.385 1.00 21.11 C ATOM 1286 ND1 HIS A 129 -1.951 16.322 17.045 1.00 25.56 N ATOM 1287 CD2 HIS A 129 0.005 17.032 16.369 1.00 22.22 C ATOM 1288 CE1 HIS A 129 -1.058 15.423 17.420 1.00 24.09 C ATOM 1289 NE2 HIS A 129 0.137 15.833 17.025 1.00 21.14 N ATOM 1290 H HIS A 129 -3.737 20.405 15.352 1.00 0.00 H ATOM 1291 N ILE A 130 -0.568 20.381 18.177 1.00 20.82 N ATOM 1292 CA ILE A 130 0.511 21.305 18.474 1.00 19.13 C ATOM 1293 C ILE A 130 1.853 20.611 18.366 1.00 19.06 C ATOM 1294 O ILE A 130 2.052 19.533 18.913 1.00 19.56 O ATOM 1295 CB ILE A 130 0.358 21.900 19.886 1.00 28.71 C ATOM 1296 CG1 ILE A 130 -0.950 22.691 19.982 1.00 27.24 C ATOM 1297 CG2 ILE A 130 1.551 22.800 20.212 1.00 25.11 C ATOM 1298 CD1 ILE A 130 -1.389 22.983 21.412 1.00 26.99 C ATOM 1299 H ILE A 130 -0.775 19.598 18.830 1.00 0.00 H ATOM 1300 N HIS A 131 2.780 21.220 17.648 1.00 20.93 N ATOM 1301 CA HIS A 131 4.102 20.642 17.537 1.00 20.28 C ATOM 1302 C HIS A 131 5.146 21.723 17.782 1.00 19.10 C ATOM 1303 O HIS A 131 5.263 22.678 17.012 1.00 19.83 O ATOM 1304 CB HIS A 131 4.255 19.966 16.159 1.00 18.34 C ATOM 1305 CG HIS A 131 5.460 19.084 16.045 1.00 25.02 C ATOM 1306 ND1 HIS A 131 5.478 17.949 15.258 1.00 20.27 N ATOM 1307 CD2 HIS A 131 6.690 19.174 16.608 1.00 18.53 C ATOM 1308 CE1 HIS A 131 6.670 17.381 15.337 1.00 20.60 C ATOM 1309 NE2 HIS A 131 7.423 18.104 16.149 1.00 24.22 N ATOM 1310 H HIS A 131 2.560 22.113 17.163 1.00 0.00 H ATOM 1311 N ILE A 132 5.906 21.558 18.864 1.00 17.67 N ATOM 1312 CA ILE A 132 6.909 22.526 19.300 1.00 20.91 C ATOM 1313 C ILE A 132 8.332 22.038 19.003 1.00 21.29 C ATOM 1314 O ILE A 132 8.672 20.884 19.277 1.00 19.06 O ATOM 1315 CB ILE A 132 6.813 22.775 20.850 1.00 16.90 C ATOM 1316 CG1 ILE A 132 5.388 23.145 21.278 1.00 23.71 C ATOM 1317 CG2 ILE A 132 7.802 23.835 21.283 1.00 25.16 C ATOM 1318 CD1 ILE A 132 4.832 24.390 20.597 1.00 26.09 C ATOM 1319 H ILE A 132 5.778 20.694 19.428 1.00 0.00 H ATOM 1320 N PHE A 133 9.155 22.932 18.459 1.00 18.42 N ATOM 1321 CA PHE A 133 10.583 22.705 18.269 1.00 17.98 C ATOM 1322 C PHE A 133 11.366 23.738 19.087 1.00 33.29 C ATOM 1323 O PHE A 133 10.991 24.912 19.131 1.00 22.29 O ATOM 1324 CB PHE A 133 10.975 22.882 16.794 1.00 20.07 C ATOM 1325 CG PHE A 133 10.359 21.868 15.851 1.00 24.09 C ATOM 1326 CD1 PHE A 133 11.036 20.695 15.532 1.00 23.84 C ATOM 1327 CD2 PHE A 133 9.134 22.113 15.257 1.00 23.41 C ATOM 1328 CE1 PHE A 133 10.485 19.775 14.654 1.00 21.36 C ATOM 1329 CE2 PHE A 133 8.576 21.204 14.378 1.00 26.35 C ATOM 1330 CZ PHE A 133 9.255 20.027 14.080 1.00 19.30 C ATOM 1331 H PHE A 133 8.757 23.843 18.153 1.00 0.00 H ATOM 1332 N SER A 134 12.453 23.313 19.728 1.00 25.39 N ATOM 1333 CA SER A 134 13.389 24.269 20.319 1.00 25.97 C ATOM 1334 C SER A 134 14.661 24.309 19.494 1.00 27.07 C ATOM 1335 O SER A 134 14.898 23.442 18.657 1.00 31.39 O ATOM 1336 CB SER A 134 13.754 23.883 21.749 1.00 31.25 C ATOM 1337 OG SER A 134 14.733 22.862 21.730 1.00 41.30 O ATOM 1338 HG SER A 134 14.968 22.614 22.659 1.00 0.00 H ATOM 1339 H SER A 134 12.638 22.293 19.809 1.00 0.00 H ATOM 1340 N PHE A 135 15.490 25.311 19.743 1.00 28.47 N ATOM 1341 CA PHE A 135 16.773 25.412 19.056 1.00 27.16 C ATOM 1342 C PHE A 135 17.776 24.379 19.573 1.00 35.06 C ATOM 1343 O PHE A 135 18.797 24.126 18.930 1.00 38.96 O ATOM 1344 CB PHE A 135 17.356 26.820 19.195 1.00 26.73 C ATOM 1345 CG PHE A 135 16.686 27.838 18.325 1.00 26.56 C ATOM 1346 CD1 PHE A 135 15.479 28.401 18.700 1.00 20.60 C ATOM 1347 CD2 PHE A 135 17.262 28.227 17.134 1.00 24.39 C ATOM 1348 CE1 PHE A 135 14.860 29.341 17.899 1.00 27.21 C ATOM 1349 CE2 PHE A 135 16.650 29.163 16.327 1.00 27.77 C ATOM 1350 CZ PHE A 135 15.444 29.723 16.715 1.00 23.38 C ATOM 1351 H PHE A 135 15.223 26.037 20.438 1.00 0.00 H ATOM 1352 N THR A 136 17.470 23.783 20.724 1.00 37.43 N ATOM 1353 CA THR A 136 18.348 22.802 21.360 1.00 40.56 C ATOM 1354 C THR A 136 18.112 21.382 20.847 1.00 41.25 C ATOM 1355 O THR A 136 18.773 20.439 21.275 1.00 36.45 O ATOM 1356 CB THR A 136 18.158 22.797 22.889 1.00 35.97 C ATOM 1357 OG1 THR A 136 16.854 22.291 23.219 1.00 47.91 O ATOM 1358 CG2 THR A 136 18.319 24.199 23.448 1.00 45.88 C ATOM 1359 HG1 THR A 136 16.163 22.867 22.806 1.00 0.00 H ATOM 1360 H THR A 136 16.571 24.025 21.189 1.00 0.00 H ATOM 1361 N GLY A 137 17.158 21.230 19.937 1.00 30.04 N ATOM 1362 CA GLY A 137 16.847 19.923 19.385 1.00 28.59 C ATOM 1363 C GLY A 137 15.725 19.213 20.120 1.00 33.30 C ATOM 1364 O GLY A 137 15.345 18.101 19.769 1.00 32.37 O ATOM 1365 H GLY A 137 16.624 22.061 19.613 1.00 0.00 H ATOM 1366 N GLU A 138 15.185 19.846 21.151 1.00 25.58 N ATOM 1367 CA GLU A 138 14.078 19.241 21.874 1.00 27.35 C ATOM 1368 C GLU A 138 12.793 19.496 21.104 1.00 30.88 C ATOM 1369 O GLU A 138 12.700 20.458 20.354 1.00 23.84 O ATOM 1370 CB GLU A 138 13.972 19.803 23.292 1.00 33.78 C ATOM 1371 CG GLU A 138 15.241 19.642 24.114 1.00 47.74 C ATOM 1372 CD GLU A 138 14.969 19.534 25.604 1.00 65.47 C ATOM 1373 OE1 GLU A 138 13.786 19.416 25.993 1.00 77.27 O ATOM 1374 OE2 GLU A 138 15.940 19.559 26.390 1.00 85.71 O ATOM 1375 H GLU A 138 15.552 20.774 21.443 1.00 0.00 H ATOM 1376 N GLU A 139 11.814 18.617 21.263 1.00 17.52 N ATOM 1377 CA GLU A 139 10.521 18.828 20.634 1.00 22.29 C ATOM 1378 C GLU A 139 9.428 18.295 21.528 1.00 32.00 C ATOM 1379 O GLU A 139 9.686 17.499 22.428 1.00 24.93 O ATOM 1380 CB GLU A 139 10.459 18.217 19.222 1.00 28.45 C ATOM 1381 CG GLU A 139 10.814 16.754 19.120 1.00 44.59 C ATOM 1382 CD GLU A 139 10.817 16.255 17.677 1.00 35.18 C ATOM 1383 OE1 GLU A 139 11.539 15.279 17.397 1.00 37.26 O ATOM 1384 OE2 GLU A 139 10.097 16.832 16.827 1.00 34.26 O ATOM 1385 H GLU A 139 11.972 17.769 21.843 1.00 0.00 H ATOM 1386 N MET A 140 8.208 18.764 21.303 1.00 20.81 N ATOM 1387 CA MET A 140 7.082 18.303 22.103 1.00 22.03 C ATOM 1388 C MET A 140 5.842 18.346 21.239 1.00 26.24 C ATOM 1389 O MET A 140 5.636 19.310 20.523 1.00 23.51 O ATOM 1390 CB MET A 140 6.901 19.212 23.324 1.00 23.90 C ATOM 1391 CG MET A 140 5.696 18.871 24.193 1.00 39.55 C ATOM 1392 SD MET A 140 5.703 17.144 24.694 1.00 56.82 S ATOM 1393 CE MET A 140 7.314 17.066 25.473 1.00 55.09 C ATOM 1394 H MET A 140 8.055 19.465 20.551 1.00 0.00 H ATOM 1395 N ALA A 141 5.007 17.316 21.287 1.00 21.15 N ATOM 1396 CA ALA A 141 3.854 17.305 20.394 1.00 24.08 C ATOM 1397 C ALA A 141 2.632 16.699 21.051 1.00 24.22 C ATOM 1398 O ALA A 141 2.745 15.831 21.906 1.00 30.01 O ATOM 1399 CB ALA A 141 4.188 16.578 19.086 1.00 17.80 C ATOM 1400 H ALA A 141 5.172 16.531 21.949 1.00 0.00 H ATOM 1401 N THR A 142 1.463 17.167 20.628 1.00 23.16 N ATOM 1402 CA THR A 142 0.194 16.696 21.151 1.00 20.51 C ATOM 1403 C THR A 142 0.106 15.171 21.107 1.00 24.74 C ATOM 1404 O THR A 142 0.400 14.564 20.073 1.00 25.77 O ATOM 1405 CB THR A 142 -0.966 17.314 20.360 1.00 19.90 C ATOM 1406 OG1 THR A 142 -0.861 18.746 20.416 1.00 24.34 O ATOM 1407 CG2 THR A 142 -2.313 16.875 20.934 1.00 30.18 C ATOM 1408 HG1 THR A 142 -0.905 19.042 21.360 1.00 0.00 H ATOM 1409 H THR A 142 1.457 17.901 19.892 1.00 0.00 H ATOM 1410 N LYS A 143 -0.267 14.572 22.240 1.00 29.91 N ATOM 1411 CA LYS A 143 -0.412 13.114 22.394 1.00 24.60 C ATOM 1412 C LYS A 143 0.835 12.316 22.040 1.00 32.05 C ATOM 1413 O LYS A 143 0.735 11.136 21.710 1.00 27.95 O ATOM 1414 CB LYS A 143 -1.560 12.588 21.537 1.00 31.44 C ATOM 1415 CG LYS A 143 -2.878 13.286 21.747 1.00 41.87 C ATOM 1416 CD LYS A 143 -3.557 12.837 23.013 1.00 51.88 C ATOM 1417 CE LYS A 143 -5.026 13.209 22.960 1.00 65.81 C ATOM 1418 NZ LYS A 143 -5.597 12.864 21.625 1.00 70.28 N ATOM 1419 HZ1 LYS A 143 -5.086 13.387 20.885 1.00 0.00 H ATOM 1420 HZ2 LYS A 143 -5.498 11.842 21.461 1.00 0.00 H ATOM 1421 HZ3 LYS A 143 -6.604 13.124 21.602 1.00 0.00 H ATOM 1422 H LYS A 143 -0.468 15.172 23.065 1.00 0.00 H ATOM 1423 N ALA A 144 1.997 12.959 22.087 1.00 22.62 N ATOM 1424 CA ALA A 144 3.249 12.324 21.687 1.00 28.48 C ATOM 1425 C ALA A 144 3.185 11.790 20.261 1.00 28.68 C ATOM 1426 O ALA A 144 3.841 10.805 19.931 1.00 30.29 O ATOM 1427 CB ALA A 144 3.638 11.219 22.662 1.00 30.89 C ATOM 1428 H ALA A 144 2.015 13.944 22.419 1.00 0.00 H ATOM 1429 N ASP A 145 2.383 12.450 19.425 1.00 27.69 N ATOM 1430 CA ASP A 145 2.297 12.149 17.999 1.00 27.94 C ATOM 1431 C ASP A 145 3.045 13.217 17.210 1.00 24.73 C ATOM 1432 O ASP A 145 2.585 14.358 17.088 1.00 22.01 O ATOM 1433 CB ASP A 145 0.828 12.074 17.558 1.00 24.91 C ATOM 1434 CG ASP A 145 0.668 11.862 16.052 1.00 31.89 C ATOM 1435 OD1 ASP A 145 1.678 11.656 15.333 1.00 30.71 O ATOM 1436 OD2 ASP A 145 -0.493 11.887 15.589 1.00 36.44 O ATOM 1437 H ASP A 145 1.791 13.215 19.807 1.00 0.00 H ATOM 1438 N TYR A 146 4.184 12.826 16.647 1.00 20.17 N ATOM 1439 CA TYR A 146 5.113 13.765 16.017 1.00 24.25 C ATOM 1440 C TYR A 146 4.908 13.975 14.514 1.00 23.99 C ATOM 1441 O TYR A 146 5.653 14.725 13.877 1.00 24.30 O ATOM 1442 CB TYR A 146 6.557 13.407 16.392 1.00 25.57 C ATOM 1443 CG TYR A 146 6.767 13.690 17.856 1.00 30.44 C ATOM 1444 CD1 TYR A 146 6.399 12.760 18.826 1.00 29.00 C ATOM 1445 CD2 TYR A 146 7.256 14.921 18.273 1.00 27.95 C ATOM 1446 CE1 TYR A 146 6.553 13.037 20.172 1.00 25.83 C ATOM 1447 CE2 TYR A 146 7.408 15.209 19.611 1.00 28.32 C ATOM 1448 CZ TYR A 146 7.050 14.267 20.556 1.00 27.77 C ATOM 1449 OH TYR A 146 7.205 14.558 21.889 1.00 33.82 O ATOM 1450 HH TYR A 146 6.905 13.786 22.431 1.00 0.00 H ATOM 1451 H TYR A 146 4.424 11.814 16.655 1.00 0.00 H ATOM 1452 N THR A 147 3.873 13.329 13.979 1.00 22.32 N ATOM 1453 CA THR A 147 3.375 13.553 12.618 1.00 25.90 C ATOM 1454 C THR A 147 4.340 13.132 11.513 1.00 30.76 C ATOM 1455 O THR A 147 4.004 12.297 10.669 1.00 26.11 O ATOM 1456 CB THR A 147 2.929 15.022 12.407 1.00 27.63 C ATOM 1457 OG1 THR A 147 1.875 15.334 13.329 1.00 22.56 O ATOM 1458 CG2 THR A 147 2.421 15.218 11.009 1.00 24.59 C ATOM 1459 HG1 THR A 147 2.203 15.216 14.256 1.00 0.00 H ATOM 1460 H THR A 147 3.387 12.620 14.564 1.00 0.00 H ATOM 1461 N LEU A 148 5.535 13.708 11.533 1.00 21.43 N ATOM 1462 CA LEU A 148 6.567 13.406 10.550 1.00 23.37 C ATOM 1463 C LEU A 148 7.557 12.401 11.118 1.00 29.52 C ATOM 1464 O LEU A 148 7.633 12.225 12.332 1.00 26.81 O ATOM 1465 CB LEU A 148 7.319 14.682 10.181 1.00 17.01 C ATOM 1466 CG LEU A 148 6.468 15.851 9.670 1.00 26.52 C ATOM 1467 CD1 LEU A 148 7.347 17.071 9.465 1.00 28.51 C ATOM 1468 CD2 LEU A 148 5.762 15.466 8.380 1.00 22.73 C ATOM 1469 H LEU A 148 5.743 14.402 12.279 1.00 0.00 H ATOM 1470 N ASP A 149 8.313 11.753 10.233 1.00 28.01 N ATOM 1471 CA ASP A 149 9.306 10.756 10.628 1.00 26.66 C ATOM 1472 C ASP A 149 10.574 11.421 11.154 1.00 29.11 C ATOM 1473 O ASP A 149 10.753 12.634 11.025 1.00 27.21 O ATOM 1474 CB ASP A 149 9.632 9.801 9.463 1.00 27.29 C ATOM 1475 CG ASP A 149 10.296 10.507 8.286 1.00 36.42 C ATOM 1476 OD1 ASP A 149 11.457 10.948 8.421 1.00 41.22 O ATOM 1477 OD2 ASP A 149 9.654 10.613 7.221 1.00 63.00 O ATOM 1478 H ASP A 149 8.192 11.965 9.222 1.00 0.00 H ATOM 1479 N GLU A 150 11.456 10.622 11.744 1.00 27.62 N ATOM 1480 CA GLU A 150 12.640 11.151 12.405 1.00 26.22 C ATOM 1481 C GLU A 150 13.532 11.933 11.466 1.00 29.73 C ATOM 1482 O GLU A 150 14.169 12.885 11.881 1.00 29.52 O ATOM 1483 CB GLU A 150 13.453 10.034 13.072 1.00 32.04 C ATOM 1484 CG GLU A 150 12.757 9.405 14.255 1.00 30.11 C ATOM 1485 CD GLU A 150 12.602 10.365 15.428 1.00 34.10 C ATOM 1486 OE1 GLU A 150 13.518 11.187 15.664 1.00 29.65 O ATOM 1487 OE2 GLU A 150 11.567 10.285 16.117 1.00 30.83 O ATOM 1488 H GLU A 150 11.297 9.594 11.733 1.00 0.00 H ATOM 1489 N GLU A 151 13.581 11.531 10.203 1.00 29.75 N ATOM 1490 CA GLU A 151 14.465 12.175 9.235 1.00 26.56 C ATOM 1491 C GLU A 151 14.018 13.606 8.878 1.00 32.12 C ATOM 1492 O GLU A 151 14.840 14.523 8.760 1.00 27.90 O ATOM 1493 CB GLU A 151 14.538 11.308 7.980 1.00 38.43 C ATOM 1494 CG GLU A 151 15.754 11.522 7.115 1.00 48.43 C ATOM 1495 CD GLU A 151 15.813 10.529 5.964 1.00 84.42 C ATOM 1496 OE1 GLU A 151 16.521 9.505 6.090 1.00 89.84 O ATOM 1497 OE2 GLU A 151 15.142 10.766 4.937 1.00 80.34 O ATOM 1498 H GLU A 151 12.978 10.741 9.896 1.00 0.00 H ATOM 1499 N SER A 152 12.711 13.788 8.703 1.00 25.08 N ATOM 1500 CA SER A 152 12.151 15.095 8.358 1.00 25.95 C ATOM 1501 C SER A 152 12.391 16.071 9.502 1.00 20.53 C ATOM 1502 O SER A 152 12.819 17.232 9.323 1.00 25.23 O ATOM 1503 CB SER A 152 10.650 14.951 8.114 1.00 25.70 C ATOM 1504 OG SER A 152 10.386 13.958 7.132 1.00 36.61 O ATOM 1505 HG SER A 152 10.743 13.088 7.440 1.00 0.00 H ATOM 1506 H SER A 152 12.069 12.977 8.815 1.00 0.00 H ATOM 1507 N ARG A 153 12.141 15.564 10.705 1.00 19.60 N ATOM 1508 CA ARG A 153 12.254 16.369 11.899 1.00 24.07 C ATOM 1509 C ARG A 153 13.727 16.660 12.183 1.00 28.80 C ATOM 1510 O ARG A 153 14.073 17.756 12.619 1.00 27.32 O ATOM 1511 CB ARG A 153 11.510 15.702 13.072 1.00 23.96 C ATOM 1512 CG ARG A 153 9.993 15.864 12.931 1.00 27.73 C ATOM 1513 CD ARG A 153 9.177 14.902 13.771 1.00 21.59 C ATOM 1514 NE ARG A 153 9.866 14.520 14.997 1.00 30.77 N ATOM 1515 CZ ARG A 153 10.034 13.260 15.381 1.00 36.74 C ATOM 1516 NH1 ARG A 153 9.549 12.271 14.642 1.00 29.27 N ATOM 1517 NH2 ARG A 153 10.680 12.994 16.503 1.00 25.45 N ATOM 1518 HE ARG A 153 10.246 15.274 15.603 1.00 0.00 H ATOM 1519 HH12 ARG A 153 9.681 11.284 14.943 1.00 0.00 H ATOM 1520 HH11 ARG A 153 9.037 12.482 13.762 1.00 0.00 H ATOM 1521 HH22 ARG A 153 10.813 12.008 16.805 1.00 0.00 H ATOM 1522 HH21 ARG A 153 11.056 13.771 17.083 1.00 0.00 H ATOM 1523 H ARG A 153 11.858 14.567 10.788 1.00 0.00 H ATOM 1524 N ALA A 154 14.593 15.693 11.886 1.00 23.91 N ATOM 1525 CA ALA A 154 16.036 15.886 12.010 1.00 24.78 C ATOM 1526 C ALA A 154 16.489 17.007 11.091 1.00 25.47 C ATOM 1527 O ALA A 154 17.368 17.791 11.439 1.00 27.05 O ATOM 1528 CB ALA A 154 16.793 14.590 11.668 1.00 28.30 C ATOM 1529 H ALA A 154 14.232 14.775 11.557 1.00 0.00 H ATOM 1530 N ARG A 155 15.898 17.065 9.901 1.00 27.22 N ATOM 1531 CA ARG A 155 16.208 18.142 8.960 1.00 32.42 C ATOM 1532 C ARG A 155 15.849 19.514 9.558 1.00 27.47 C ATOM 1533 O ARG A 155 16.645 20.481 9.500 1.00 30.84 O ATOM 1534 CB ARG A 155 15.449 17.920 7.650 1.00 30.11 C ATOM 1535 CG ARG A 155 15.866 18.833 6.513 1.00 52.93 C ATOM 1536 CD ARG A 155 14.791 18.913 5.431 1.00 57.59 C ATOM 1537 NE ARG A 155 15.102 19.943 4.440 1.00 70.21 N ATOM 1538 CZ ARG A 155 14.192 20.628 3.753 1.00 72.15 C ATOM 1539 NH1 ARG A 155 12.897 20.401 3.945 1.00 66.41 N ATOM 1540 NH2 ARG A 155 14.577 21.547 2.876 1.00 79.75 N ATOM 1541 HE ARG A 155 16.104 20.154 4.260 1.00 0.00 H ATOM 1542 HH12 ARG A 155 12.189 20.939 3.406 1.00 0.00 H ATOM 1543 HH11 ARG A 155 12.591 19.685 4.635 1.00 0.00 H ATOM 1544 HH22 ARG A 155 13.866 22.083 2.338 1.00 0.00 H ATOM 1545 HH21 ARG A 155 15.590 21.731 2.726 1.00 0.00 H ATOM 1546 H ARG A 155 15.206 16.335 9.636 1.00 0.00 H ATOM 1547 N ILE A 156 14.646 19.594 10.129 1.00 24.95 N ATOM 1548 CA ILE A 156 14.211 20.832 10.794 1.00 23.52 C ATOM 1549 C ILE A 156 15.138 21.234 11.952 1.00 29.76 C ATOM 1550 O ILE A 156 15.609 22.380 12.028 1.00 23.50 O ATOM 1551 CB ILE A 156 12.742 20.738 11.267 1.00 20.56 C ATOM 1552 CG1 ILE A 156 11.804 20.719 10.052 1.00 19.11 C ATOM 1553 CG2 ILE A 156 12.394 21.894 12.206 1.00 19.91 C ATOM 1554 CD1 ILE A 156 10.376 20.363 10.397 1.00 23.90 C ATOM 1555 H ILE A 156 14.009 18.772 10.104 1.00 0.00 H ATOM 1556 N LYS A 157 15.442 20.277 12.825 1.00 24.15 N ATOM 1557 CA LYS A 157 16.310 20.548 13.972 1.00 21.81 C ATOM 1558 C LYS A 157 17.715 20.962 13.562 1.00 28.92 C ATOM 1559 O LYS A 157 18.341 21.804 14.213 1.00 27.81 O ATOM 1560 CB LYS A 157 16.413 19.327 14.879 1.00 24.76 C ATOM 1561 CG LYS A 157 15.111 18.890 15.483 1.00 27.69 C ATOM 1562 CD LYS A 157 15.350 17.649 16.326 1.00 40.20 C ATOM 1563 CE LYS A 157 14.082 16.861 16.509 1.00 37.19 C ATOM 1564 NZ LYS A 157 14.336 15.584 17.225 1.00 55.93 N ATOM 1565 HZ1 LYS A 157 15.007 15.008 16.677 1.00 0.00 H ATOM 1566 HZ2 LYS A 157 14.737 15.788 18.163 1.00 0.00 H ATOM 1567 HZ3 LYS A 157 13.441 15.065 17.334 1.00 0.00 H ATOM 1568 H LYS A 157 15.056 19.321 12.690 1.00 0.00 H ATOM 1569 N THR A 158 18.218 20.347 12.498 1.00 21.63 N ATOM 1570 CA THR A 158 19.544 20.665 12.001 1.00 27.74 C ATOM 1571 C THR A 158 19.561 22.100 11.494 1.00 28.97 C ATOM 1572 O THR A 158 20.505 22.849 11.754 1.00 28.14 O ATOM 1573 CB THR A 158 19.970 19.718 10.859 1.00 34.53 C ATOM 1574 OG1 THR A 158 20.028 18.378 11.354 1.00 36.83 O ATOM 1575 CG2 THR A 158 21.350 20.099 10.335 1.00 32.47 C ATOM 1576 HG1 THR A 158 19.135 18.113 11.690 1.00 0.00 H ATOM 1577 H THR A 158 17.651 19.624 12.011 1.00 0.00 H ATOM 1578 N ARG A 159 18.514 22.482 10.772 1.00 31.18 N ATOM 1579 CA ARG A 159 18.405 23.871 10.338 1.00 32.13 C ATOM 1580 C ARG A 159 18.409 24.829 11.545 1.00 27.60 C ATOM 1581 O ARG A 159 19.084 25.867 11.530 1.00 30.29 O ATOM 1582 CB ARG A 159 17.168 24.068 9.461 1.00 34.65 C ATOM 1583 CG ARG A 159 16.906 25.509 9.040 1.00 27.81 C ATOM 1584 CD ARG A 159 18.093 26.138 8.301 1.00 33.68 C ATOM 1585 NE ARG A 159 17.718 27.458 7.800 1.00 40.77 N ATOM 1586 CZ ARG A 159 18.571 28.404 7.419 1.00 38.24 C ATOM 1587 NH1 ARG A 159 19.881 28.196 7.465 1.00 33.79 N ATOM 1588 NH2 ARG A 159 18.103 29.568 6.989 1.00 37.21 N ATOM 1589 HE ARG A 159 16.703 27.675 7.736 1.00 0.00 H ATOM 1590 HH12 ARG A 159 20.537 28.945 7.164 1.00 0.00 H ATOM 1591 HH11 ARG A 159 20.251 27.284 7.802 1.00 0.00 H ATOM 1592 HH22 ARG A 159 18.762 30.314 6.689 1.00 0.00 H ATOM 1593 HH21 ARG A 159 17.077 29.734 6.952 1.00 0.00 H ATOM 1594 H ARG A 159 17.776 21.795 10.517 1.00 0.00 H ATOM 1595 N LEU A 160 17.683 24.468 12.600 1.00 23.09 N ATOM 1596 CA LEU A 160 17.633 25.310 13.797 1.00 26.17 C ATOM 1597 C LEU A 160 18.998 25.438 14.485 1.00 34.86 C ATOM 1598 O LEU A 160 19.393 26.531 14.926 1.00 23.97 O ATOM 1599 CB LEU A 160 16.583 24.788 14.790 1.00 22.69 C ATOM 1600 CG LEU A 160 15.126 24.895 14.321 1.00 25.86 C ATOM 1601 CD1 LEU A 160 14.184 24.355 15.375 1.00 26.45 C ATOM 1602 CD2 LEU A 160 14.755 26.334 13.983 1.00 21.26 C ATOM 1603 H LEU A 160 17.145 23.578 12.574 1.00 0.00 H ATOM 1604 N PHE A 161 19.710 24.318 14.578 1.00 29.89 N ATOM 1605 CA PHE A 161 21.054 24.291 15.159 1.00 27.89 C ATOM 1606 C PHE A 161 22.013 25.146 14.351 1.00 27.63 C ATOM 1607 O PHE A 161 22.864 25.844 14.904 1.00 32.22 O ATOM 1608 CB PHE A 161 21.599 22.855 15.215 1.00 40.71 C ATOM 1609 CG PHE A 161 22.871 22.730 16.007 1.00 65.96 C ATOM 1610 CD1 PHE A 161 22.840 22.748 17.394 1.00 65.03 C ATOM 1611 CD2 PHE A 161 24.099 22.616 15.368 1.00 59.43 C ATOM 1612 CE1 PHE A 161 24.007 22.647 18.130 1.00 65.11 C ATOM 1613 CE2 PHE A 161 25.268 22.512 16.097 1.00 58.39 C ATOM 1614 CZ PHE A 161 25.221 22.528 17.480 1.00 64.73 C ATOM 1615 H PHE A 161 19.298 23.431 14.226 1.00 0.00 H ATOM 1616 N THR A 162 21.874 25.073 13.032 1.00 24.30 N ATOM 1617 CA THR A 162 22.692 25.869 12.127 1.00 34.56 C ATOM 1618 C THR A 162 22.438 27.369 12.330 1.00 36.18 C ATOM 1619 O THR A 162 23.376 28.164 12.403 1.00 34.52 O ATOM 1620 CB THR A 162 22.421 25.486 10.658 1.00 32.04 C ATOM 1621 OG1 THR A 162 22.892 24.155 10.421 1.00 39.00 O ATOM 1622 CG2 THR A 162 23.142 26.432 9.712 1.00 39.62 C ATOM 1623 HG1 THR A 162 22.417 23.527 11.021 1.00 0.00 H ATOM 1624 H THR A 162 21.161 24.429 12.634 1.00 0.00 H ATOM 1625 N ILE A 163 21.168 27.749 12.434 1.00 29.55 N ATOM 1626 CA ILE A 163 20.813 29.143 12.722 1.00 30.19 C ATOM 1627 C ILE A 163 21.408 29.635 14.051 1.00 29.78 C ATOM 1628 O ILE A 163 22.038 30.703 14.118 1.00 28.26 O ATOM 1629 CB ILE A 163 19.287 29.331 12.737 1.00 26.44 C ATOM 1630 CG1 ILE A 163 18.739 29.224 11.313 1.00 27.47 C ATOM 1631 CG2 ILE A 163 18.915 30.682 13.340 1.00 23.05 C ATOM 1632 CD1 ILE A 163 17.233 29.100 11.260 1.00 23.37 C ATOM 1633 H ILE A 163 20.413 27.045 12.309 1.00 0.00 H ATOM 1634 N ARG A 164 21.220 28.845 15.102 1.00 27.09 N ATOM 1635 CA ARG A 164 21.763 29.179 16.419 1.00 22.83 C ATOM 1636 C ARG A 164 23.284 29.334 16.382 1.00 32.35 C ATOM 1637 O ARG A 164 23.855 30.235 17.010 1.00 27.97 O ATOM 1638 CB ARG A 164 21.370 28.110 17.441 1.00 27.54 C ATOM 1639 CG ARG A 164 22.112 28.201 18.762 1.00 31.93 C ATOM 1640 CD ARG A 164 21.720 27.056 19.686 1.00 35.41 C ATOM 1641 NE ARG A 164 22.865 26.571 20.451 1.00 60.24 N ATOM 1642 CZ ARG A 164 22.888 26.467 21.775 1.00 64.32 C ATOM 1643 NH1 ARG A 164 21.823 26.805 22.482 1.00 72.64 N ATOM 1644 NH2 ARG A 164 23.972 26.019 22.393 1.00 68.59 N ATOM 1645 HE ARG A 164 23.717 26.289 19.926 1.00 0.00 H ATOM 1646 HH12 ARG A 164 21.840 26.724 23.519 1.00 0.00 H ATOM 1647 HH11 ARG A 164 20.968 27.152 22.001 1.00 0.00 H ATOM 1648 HH22 ARG A 164 23.984 25.940 23.430 1.00 0.00 H ATOM 1649 HH21 ARG A 164 24.810 25.747 21.841 1.00 0.00 H ATOM 1650 H ARG A 164 20.674 27.968 14.986 1.00 0.00 H ATOM 1651 N GLN A 165 23.932 28.452 15.632 1.00 34.15 N ATOM 1652 CA GLN A 165 25.389 28.441 15.511 1.00 36.74 C ATOM 1653 C GLN A 165 25.925 29.652 14.737 1.00 36.32 C ATOM 1654 O GLN A 165 26.891 30.288 15.160 1.00 34.66 O ATOM 1655 CB GLN A 165 25.840 27.133 14.856 1.00 35.71 C ATOM 1656 CG GLN A 165 27.268 27.115 14.344 1.00 50.82 C ATOM 1657 CD GLN A 165 27.613 25.793 13.677 1.00 77.86 C ATOM 1658 OE1 GLN A 165 27.815 24.779 14.348 1.00 72.48 O ATOM 1659 NE2 GLN A 165 27.661 25.795 12.348 1.00 68.89 N ATOM 1660 HE22 GLN A 165 27.484 26.675 11.823 1.00 0.00 H ATOM 1661 HE21 GLN A 165 27.876 24.917 11.834 1.00 0.00 H ATOM 1662 H GLN A 165 23.382 27.741 15.110 1.00 0.00 H ATOM 1663 N GLU A 166 25.309 29.966 13.600 1.00 29.19 N ATOM 1664 CA GLU A 166 25.687 31.162 12.850 1.00 29.39 C ATOM 1665 C GLU A 166 25.471 32.432 13.708 1.00 34.32 C ATOM 1666 O GLU A 166 26.348 33.301 13.790 1.00 36.39 O ATOM 1667 CB GLU A 166 24.938 31.239 11.508 1.00 37.07 C ATOM 1668 CG GLU A 166 25.158 30.021 10.606 1.00 52.36 C ATOM 1669 CD GLU A 166 24.572 30.180 9.207 1.00 74.30 C ATOM 1670 OE1 GLU A 166 25.148 29.606 8.256 1.00 65.91 O ATOM 1671 OE2 GLU A 166 23.536 30.865 9.053 1.00 71.39 O ATOM 1672 H GLU A 166 24.550 29.353 13.241 1.00 0.00 H ATOM 1673 N MET A 167 24.321 32.507 14.378 1.00 27.83 N ATOM 1674 CA MET A 167 24.044 33.615 15.292 1.00 26.24 C ATOM 1675 C MET A 167 25.112 33.766 16.382 1.00 40.97 C ATOM 1676 O MET A 167 25.623 34.870 16.611 1.00 33.36 O ATOM 1677 CB MET A 167 22.672 33.471 15.952 1.00 24.02 C ATOM 1678 CG MET A 167 21.475 33.762 15.056 1.00 19.36 C ATOM 1679 SD MET A 167 20.001 33.789 16.083 1.00 24.65 S ATOM 1680 CE MET A 167 18.732 34.031 14.834 1.00 20.85 C ATOM 1681 H MET A 167 23.606 31.763 14.248 1.00 0.00 H ATOM 1682 N ALA A 168 25.440 32.670 17.064 1.00 30.45 N ATOM 1683 CA ALA A 168 26.479 32.714 18.097 1.00 29.18 C ATOM 1684 C ALA A 168 27.822 33.139 17.501 1.00 35.62 C ATOM 1685 O ALA A 168 28.598 33.856 18.131 1.00 36.54 O ATOM 1686 CB ALA A 168 26.609 31.364 18.798 1.00 33.29 C ATOM 1687 H ALA A 168 24.954 31.773 16.861 1.00 0.00 H ATOM 1688 N SER A 169 28.079 32.695 16.277 1.00 31.21 N ATOM 1689 CA SER A 169 29.308 33.031 15.578 1.00 36.22 C ATOM 1690 C SER A 169 29.396 34.533 15.335 1.00 50.54 C ATOM 1691 O SER A 169 30.488 35.102 15.263 1.00 35.63 O ATOM 1692 CB SER A 169 29.369 32.292 14.245 1.00 38.97 C ATOM 1693 OG SER A 169 30.640 32.437 13.640 1.00 56.67 O ATOM 1694 HG SER A 169 30.820 33.397 13.479 1.00 0.00 H ATOM 1695 H SER A 169 27.380 32.088 15.804 1.00 0.00 H ATOM 1696 N ARG A 170 28.239 35.174 15.197 1.00 40.94 N ATOM 1697 CA ARG A 170 28.202 36.623 14.988 1.00 37.57 C ATOM 1698 C ARG A 170 27.959 37.418 16.278 1.00 38.54 C ATOM 1699 O ARG A 170 27.894 38.647 16.260 1.00 41.90 O ATOM 1700 CB ARG A 170 27.153 36.976 13.935 1.00 31.94 C ATOM 1701 CG ARG A 170 27.537 36.523 12.535 1.00 33.38 C ATOM 1702 CD ARG A 170 26.318 36.402 11.628 1.00 41.27 C ATOM 1703 NE ARG A 170 26.677 35.930 10.293 1.00 36.98 N ATOM 1704 CZ ARG A 170 26.533 36.650 9.187 1.00 53.76 C ATOM 1705 NH1 ARG A 170 26.025 37.875 9.252 1.00 45.66 N ATOM 1706 NH2 ARG A 170 26.889 36.143 8.013 1.00 56.26 N ATOM 1707 HE ARG A 170 27.069 34.971 10.204 1.00 0.00 H ATOM 1708 HH12 ARG A 170 25.913 38.438 8.385 1.00 0.00 H ATOM 1709 HH11 ARG A 170 25.739 38.271 10.170 1.00 0.00 H ATOM 1710 HH22 ARG A 170 26.776 36.708 7.147 1.00 0.00 H ATOM 1711 HH21 ARG A 170 27.281 35.181 7.959 1.00 0.00 H ATOM 1712 H ARG A 170 27.348 34.639 15.238 1.00 0.00 H ATOM 1713 N GLY A 171 27.816 36.710 17.393 1.00 30.53 N ATOM 1714 CA GLY A 171 27.578 37.345 18.678 1.00 28.17 C ATOM 1715 C GLY A 171 26.138 37.760 18.877 1.00 38.62 C ATOM 1716 O GLY A 171 25.819 38.567 19.757 1.00 31.75 O ATOM 1717 H GLY A 171 27.876 35.673 17.345 1.00 0.00 H ATOM 1718 N LEU A 172 25.261 37.190 18.057 1.00 30.63 N ATOM 1719 CA LEU A 172 23.844 37.539 18.050 1.00 22.31 C ATOM 1720 C LEU A 172 22.986 36.650 18.947 1.00 30.69 C ATOM 1721 O LEU A 172 21.856 37.004 19.284 1.00 31.59 O ATOM 1722 CB LEU A 172 23.308 37.442 16.621 1.00 29.59 C ATOM 1723 CG LEU A 172 24.004 38.367 15.627 1.00 33.08 C ATOM 1724 CD1 LEU A 172 23.599 38.025 14.227 1.00 28.03 C ATOM 1725 CD2 LEU A 172 23.627 39.789 15.960 1.00 30.24 C ATOM 1726 H LEU A 172 25.599 36.465 17.392 1.00 0.00 H ATOM 1727 N TRP A 173 23.514 35.489 19.319 1.00 29.85 N ATOM 1728 CA TRP A 173 22.693 34.480 19.989 1.00 31.80 C ATOM 1729 C TRP A 173 22.248 34.854 21.402 1.00 29.03 C ATOM 1730 O TRP A 173 21.117 34.576 21.789 1.00 32.99 O ATOM 1731 CB TRP A 173 23.387 33.109 19.994 1.00 30.26 C ATOM 1732 CG TRP A 173 22.625 32.089 20.776 1.00 31.52 C ATOM 1733 CD1 TRP A 173 22.954 31.573 22.001 1.00 40.14 C ATOM 1734 CD2 TRP A 173 21.381 31.487 20.406 1.00 30.85 C ATOM 1735 NE1 TRP A 173 21.995 30.673 22.407 1.00 31.56 N ATOM 1736 CE2 TRP A 173 21.023 30.598 21.444 1.00 37.81 C ATOM 1737 CE3 TRP A 173 20.541 31.601 19.293 1.00 31.43 C ATOM 1738 CZ2 TRP A 173 19.863 29.834 21.402 1.00 31.08 C ATOM 1739 CZ3 TRP A 173 19.390 30.838 19.250 1.00 32.37 C ATOM 1740 CH2 TRP A 173 19.058 29.968 20.303 1.00 31.98 C ATOM 1741 HE1 TRP A 173 22.006 30.138 23.299 1.00 0.00 H ATOM 1742 H TRP A 173 24.519 35.296 19.133 1.00 0.00 H ATOM 1743 N ASP A 174 23.124 35.485 22.177 1.00 34.32 N ATOM 1744 CA ASP A 174 22.780 35.837 23.551 1.00 32.12 C ATOM 1745 C ASP A 174 21.550 36.731 23.652 1.00 35.26 C ATOM 1746 O ASP A 174 20.672 36.504 24.484 1.00 34.69 O ATOM 1747 CB ASP A 174 23.961 36.498 24.261 1.00 47.60 C ATOM 1748 CG ASP A 174 24.682 35.545 25.187 1.00 63.23 C ATOM 1749 OD1 ASP A 174 24.858 34.366 24.809 1.00 68.50 O ATOM 1750 OD2 ASP A 174 25.058 35.974 26.299 1.00 83.23 O ATOM 1751 H ASP A 174 24.062 35.730 21.801 1.00 0.00 H ATOM 1752 N SER A 175 21.491 37.747 22.802 1.00 33.72 N ATOM 1753 CA SER A 175 20.361 38.659 22.811 1.00 29.79 C ATOM 1754 C SER A 175 19.117 37.965 22.250 1.00 25.64 C ATOM 1755 O SER A 175 18.023 38.095 22.794 1.00 31.51 O ATOM 1756 CB SER A 175 20.689 39.917 22.000 1.00 27.38 C ATOM 1757 OG SER A 175 19.552 40.762 21.905 1.00 34.26 O ATOM 1758 HG SER A 175 19.784 41.568 21.378 1.00 0.00 H ATOM 1759 H SER A 175 22.263 37.892 22.121 1.00 0.00 H ATOM 1760 N PHE A 176 19.289 37.232 21.154 1.00 28.29 N ATOM 1761 CA PHE A 176 18.159 36.554 20.514 1.00 26.06 C ATOM 1762 C PHE A 176 17.472 35.570 21.462 1.00 31.47 C ATOM 1763 O PHE A 176 16.246 35.557 21.585 1.00 29.40 O ATOM 1764 CB PHE A 176 18.608 35.820 19.249 1.00 24.79 C ATOM 1765 CG PHE A 176 17.494 35.073 18.557 1.00 26.01 C ATOM 1766 CD1 PHE A 176 16.511 35.758 17.860 1.00 23.01 C ATOM 1767 CD2 PHE A 176 17.445 33.686 18.590 1.00 27.83 C ATOM 1768 CE1 PHE A 176 15.490 35.077 17.212 1.00 27.56 C ATOM 1769 CE2 PHE A 176 16.430 32.995 17.940 1.00 26.83 C ATOM 1770 CZ PHE A 176 15.449 33.692 17.253 1.00 27.81 C ATOM 1771 H PHE A 176 20.241 37.139 20.745 1.00 0.00 H ATOM 1772 N ARG A 177 18.283 34.760 22.131 1.00 28.67 N ATOM 1773 CA ARG A 177 17.809 33.753 23.075 1.00 40.58 C ATOM 1774 C ARG A 177 16.926 34.318 24.187 1.00 45.60 C ATOM 1775 O ARG A 177 15.950 33.684 24.595 1.00 45.59 O ATOM 1776 CB ARG A 177 18.999 33.021 23.700 1.00 36.85 C ATOM 1777 CG ARG A 177 18.618 31.851 24.586 1.00 48.90 C ATOM 1778 CD ARG A 177 19.844 31.222 25.250 1.00 57.42 C ATOM 1779 NE ARG A 177 20.399 32.062 26.311 1.00 77.32 N ATOM 1780 CZ ARG A 177 21.695 32.306 26.472 1.00 71.27 C ATOM 1781 NH1 ARG A 177 22.583 31.777 25.641 1.00 62.66 N ATOM 1782 NH2 ARG A 177 22.105 33.082 27.466 1.00 71.75 N ATOM 1783 HE ARG A 177 19.736 32.497 26.984 1.00 0.00 H ATOM 1784 HH12 ARG A 177 23.597 31.971 25.771 1.00 0.00 H ATOM 1785 HH11 ARG A 177 22.266 31.168 24.860 1.00 0.00 H ATOM 1786 HH22 ARG A 177 23.119 33.273 27.592 1.00 0.00 H ATOM 1787 HH21 ARG A 177 21.412 33.500 28.120 1.00 0.00 H ATOM 1788 H ARG A 177 19.307 34.847 21.975 1.00 0.00 H ATOM 1789 N GLN A 178 17.263 35.501 24.689 1.00 40.11 N ATOM 1790 CA GLN A 178 16.549 36.018 25.857 1.00 49.92 C ATOM 1791 C GLN A 178 15.500 37.081 25.550 1.00 39.86 C ATOM 1792 O GLN A 178 14.800 37.550 26.446 1.00 49.51 O ATOM 1793 CB GLN A 178 17.519 36.508 26.935 1.00 60.65 C ATOM 1794 CG GLN A 178 18.450 37.607 26.498 1.00 52.92 C ATOM 1795 CD GLN A 178 19.605 37.784 27.460 1.00 69.14 C ATOM 1796 OE1 GLN A 178 19.949 36.867 28.208 1.00 73.58 O ATOM 1797 NE2 GLN A 178 20.208 38.967 27.452 1.00 74.61 N ATOM 1798 HE22 GLN A 178 19.883 39.712 26.803 1.00 0.00 H ATOM 1799 HE21 GLN A 178 21.005 39.149 28.095 1.00 0.00 H ATOM 1800 H GLN A 178 18.028 36.055 24.255 1.00 0.00 H ATOM 1801 N SER A 179 15.379 37.445 24.280 1.00 41.05 N ATOM 1802 CA SER A 179 14.372 38.415 23.880 1.00 39.57 C ATOM 1803 C SER A 179 12.998 37.768 23.695 1.00 41.74 C ATOM 1804 O SER A 179 12.019 38.456 23.413 1.00 44.28 O ATOM 1805 CB SER A 179 14.799 39.138 22.598 1.00 37.25 C ATOM 1806 OG SER A 179 14.789 38.256 21.485 1.00 45.96 O ATOM 1807 HG SER A 179 15.417 37.509 21.652 1.00 0.00 H ATOM 1808 H SER A 179 16.010 37.033 23.564 1.00 0.00 H ATOM 1809 N GLU A 180 12.917 36.449 23.859 1.00 38.12 N ATOM 1810 CA GLU A 180 11.651 35.763 23.616 1.00 39.80 C ATOM 1811 C GLU A 180 10.570 36.072 24.652 1.00 47.40 C ATOM 1812 O GLU A 180 10.823 36.061 25.852 1.00 48.16 O ATOM 1813 CB GLU A 180 11.820 34.247 23.470 1.00 33.06 C ATOM 1814 CG GLU A 180 10.503 33.591 23.059 1.00 33.39 C ATOM 1815 CD GLU A 180 10.609 32.106 22.818 1.00 35.11 C ATOM 1816 OE1 GLU A 180 11.731 31.614 22.585 1.00 36.31 O ATOM 1817 OE2 GLU A 180 9.559 31.433 22.886 1.00 29.12 O ATOM 1818 H GLU A 180 13.753 35.909 24.159 1.00 0.00 H ATOM 1819 N ARG A 181 9.365 36.328 24.150 1.00 59.90 N ATOM 1820 CA ARG A 181 8.199 36.680 24.956 1.00 62.12 C ATOM 1821 C ARG A 181 8.377 38.005 25.688 1.00 58.06 C ATOM 1822 O ARG A 181 7.759 39.004 25.320 1.00 66.46 O ATOM 1823 CB ARG A 181 7.805 35.564 25.931 1.00 49.09 C ATOM 1824 CG ARG A 181 6.706 35.995 26.888 1.00 65.10 C ATOM 1825 CD ARG A 181 6.030 34.824 27.574 1.00 61.55 C ATOM 1826 NE ARG A 181 4.808 35.256 28.249 1.00 64.63 N ATOM 1827 CZ ARG A 181 3.629 34.656 28.125 1.00 72.93 C ATOM 1828 NH1 ARG A 181 3.510 33.586 27.355 1.00 52.45 N ATOM 1829 NH2 ARG A 181 2.568 35.118 28.776 1.00 70.81 N ATOM 1830 HE ARG A 181 4.865 36.090 28.868 1.00 0.00 H ATOM 1831 HH12 ARG A 181 2.588 33.116 27.257 1.00 0.00 H ATOM 1832 HH11 ARG A 181 4.339 33.216 26.848 1.00 0.00 H ATOM 1833 HH22 ARG A 181 1.648 34.643 28.674 1.00 0.00 H ATOM 1834 HH21 ARG A 181 2.657 35.954 29.388 1.00 0.00 H ATOM 1835 H ARG A 181 9.246 36.274 23.118 1.00 0.00 H TER 1836 ARG A 181 HETATM 1837 MN MN A 1 3.144 28.834 14.858 1.00 21.11 MN HETATM 1838 MN MN A 2 0.965 30.983 12.716 1.00 23.16 MN HETATM 1839 O HOH 3 8.452 46.584 9.986 1.00 41.86 O HETATM 1840 O HOH 4 1.031 39.446 5.428 1.00 48.60 O HETATM 1841 O HOH 5 21.296 44.302 6.335 1.00 48.49 O HETATM 1842 O HOH 6 -9.174 16.465 5.986 1.00 35.38 O HETATM 1843 O HOH 7 6.682 12.983 23.667 1.00 35.88 O HETATM 1844 O HOH 8 -15.153 24.693 0.268 1.00 47.26 O HETATM 1845 O HOH 9 -5.851 13.838 15.525 1.00 48.02 O HETATM 1846 O HOH 10 6.294 29.967 17.546 1.00 21.42 O HETATM 1847 O HOH 11 -5.650 18.618 19.182 1.00 53.41 O HETATM 1848 O HOH 12 23.798 39.204 21.209 1.00 32.96 O HETATM 1849 O HOH 13 17.717 37.150 1.916 1.00 41.61 O HETATM 1850 O HOH 14 3.038 16.470 15.347 1.00 21.89 O HETATM 1851 O HOH 15 13.780 20.903 18.032 1.00 32.61 O HETATM 1852 O HOH 16 -1.570 36.200 1.238 1.00 38.26 O HETATM 1853 O HOH 17 4.838 22.471 0.767 1.00 43.66 O HETATM 1854 O HOH 18 27.382 33.406 10.228 1.00 48.68 O HETATM 1855 O HOH 19 15.654 30.082 3.978 1.00 36.20 O HETATM 1856 O HOH 20 -3.900 21.911 -1.750 1.00 41.53 O HETATM 1857 O HOH 21 -0.666 25.586 0.832 1.00 31.87 O HETATM 1858 O HOH 22 -0.357 33.858 10.384 1.00 37.14 O HETATM 1859 O HOH 23 1.674 11.050 10.395 1.00 30.40 O HETATM 1860 O HOH 24 15.452 47.603 6.377 1.00 50.27 O HETATM 1861 O HOH 25 4.516 10.990 8.401 1.00 42.87 O HETATM 1862 O HOH 26 0.941 19.411 -4.297 1.00 59.37 O HETATM 1863 O HOH 27 16.859 41.703 1.874 1.00 49.03 O HETATM 1864 O HOH 28 -3.055 28.069 16.259 1.00 30.68 O HETATM 1865 O HOH 29 -0.911 16.265 12.185 1.00 33.15 O HETATM 1866 O HOH 30 18.608 46.990 11.894 1.00 47.69 O HETATM 1867 O HOH 31 13.389 39.688 0.331 1.00 46.34 O HETATM 1868 O HOH 32 11.476 37.120 19.490 1.00 37.71 O HETATM 1869 O HOH 33 -0.618 31.148 11.096 1.00 23.24 O HETATM 1870 O HOH 34 7.414 12.055 6.762 1.00 36.38 O HETATM 1871 O HOH 35 20.131 44.815 13.067 1.00 37.37 O HETATM 1872 O HOH 36 -11.243 23.979 0.658 1.00 32.11 O HETATM 1873 O HOH 37 10.611 31.554 15.882 1.00 33.31 O HETATM 1874 O HOH 38 -14.571 27.021 -0.147 1.00 35.42 O HETATM 1875 O HOH 39 23.797 42.594 17.337 1.00 37.55 O HETATM 1876 O HOH 40 -2.595 10.352 14.377 1.00 49.11 O HETATM 1877 O HOH 41 18.431 20.918 7.494 1.00 37.50 O HETATM 1878 O HOH 42 11.560 31.524 18.462 1.00 37.38 O HETATM 1879 O HOH 43 12.670 42.154 18.901 1.00 34.29 O HETATM 1880 O HOH 44 26.827 42.468 10.668 1.00 39.12 O HETATM 1881 O HOH 45 -4.670 16.472 17.574 1.00 32.67 O HETATM 1882 O HOH 46 2.362 19.456 1.909 1.00 27.52 O HETATM 1883 O HOH 47 6.345 33.133 10.894 1.00 32.17 O HETATM 1884 O HOH 48 -0.299 29.968 13.710 1.00 26.23 O HETATM 1885 O HOH 49 0.411 11.138 12.880 1.00 42.19 O HETATM 1886 O HOH 50 -7.606 27.351 18.205 1.00 54.08 O HETATM 1887 O HOH 51 10.349 13.576 3.589 1.00 48.56 O HETATM 1888 O HOH 52 4.613 34.968 9.044 1.00 42.86 O HETATM 1889 O HOH 53 12.826 42.345 0.885 1.00 56.45 O HETATM 1890 O HOH 54 14.601 13.734 15.051 1.00 41.94 O HETATM 1891 O HOH 55 25.693 39.774 11.333 1.00 38.15 O HETATM 1892 O HOH 56 20.748 39.493 18.484 1.00 26.09 O HETATM 1893 O HOH 57 -13.632 30.839 2.505 1.00 42.06 O HETATM 1894 O HOH 58 0.019 37.516 8.195 1.00 43.92 O HETATM 1895 O HOH 59 17.469 27.783 23.553 1.00 50.54 O HETATM 1896 O HOH 60 19.778 21.861 17.443 1.00 53.31 O HETATM 1897 O HOH 61 -7.868 20.747 14.023 1.00 41.14 O HETATM 1898 O HOH 62 10.483 7.941 12.390 1.00 26.11 O HETATM 1899 O HOH 63 -8.095 11.861 5.039 1.00 50.16 O HETATM 1900 O HOH 64 7.324 32.418 24.532 1.00 39.85 O HETATM 1901 O HOH 65 29.204 28.890 16.293 1.00 48.31 O HETATM 1902 O HOH 66 -5.456 27.046 16.060 1.00 29.13 O HETATM 1903 O HOH 67 12.747 53.028 13.897 1.00 45.59 O HETATM 1904 O HOH 68 -16.635 25.039 13.686 1.00 51.27 O HETATM 1905 O HOH 69 -2.674 11.890 17.618 1.00 48.49 O HETATM 1906 O HOH 70 -1.076 33.548 8.069 1.00 39.62 O HETATM 1907 O HOH 71 21.116 25.573 6.701 1.00 44.17 O HETATM 1908 O HOH 72 -5.437 41.031 5.512 1.00 55.16 O HETATM 1909 O HOH 73 7.572 47.930 16.563 1.00 42.61 O HETATM 1910 O HOH 74 -17.000 23.072 9.873 1.00 55.62 O HETATM 1911 O HOH 75 1.776 43.807 4.651 1.00 44.30 O HETATM 1912 O HOH 76 0.832 22.948 -0.289 1.00 58.97 O HETATM 1913 O HOH 77 5.713 33.217 30.370 1.00 52.59 O HETATM 1914 O HOH 78 -5.782 34.811 15.158 1.00 36.52 O HETATM 1915 O HOH 79 -1.140 15.959 24.881 1.00 41.73 O HETATM 1916 O HOH 80 -9.744 21.809 1.546 1.00 38.11 O HETATM 1917 O HOH 81 26.235 32.585 22.643 1.00 50.44 O HETATM 1918 O HOH 82 -1.156 30.351 28.369 1.00 50.68 O HETATM 1919 O HOH 83 13.732 22.770 26.035 1.00 47.29 O HETATM 1920 O HOH 84 -2.402 33.607 -0.074 1.00 45.18 O HETATM 1921 O HOH 85 -13.127 34.595 10.485 1.00 56.21 O HETATM 1922 O HOH 86 26.116 35.320 21.120 1.00 28.02 O HETATM 1923 O HOH 87 2.893 31.526 2.689 1.00 44.42 O HETATM 1924 O HOH 88 -12.822 34.115 12.649 1.00 52.09 O HETATM 1925 O HOH 89 8.128 31.755 17.003 1.00 38.93 O HETATM 1926 O HOH 90 1.715 8.576 9.099 1.00 48.47 O HETATM 1927 O HOH 91 11.619 31.837 30.368 1.00 50.02 O HETATM 1928 O HOH 92 27.886 31.150 9.819 1.00 59.67 O HETATM 1929 O HOH 93 20.816 23.213 7.634 1.00 41.47 O HETATM 1930 O HOH 94 1.418 36.680 0.811 1.00 56.53 O HETATM 1931 O HOH 95 -11.345 35.881 13.390 1.00 56.32 O HETATM 1932 O HOH 96 2.989 34.625 32.780 1.00 45.56 O HETATM 1933 O HOH 97 16.201 39.266 0.701 1.00 51.42 O HETATM 1934 O HOH 98 23.389 21.775 6.650 1.00 58.63 O HETATM 1935 O HOH 99 4.395 18.396 28.843 1.00 50.76 O HETATM 1936 O HOH 100 23.518 26.333 5.100 1.00 62.14 O HETATM 1937 O HOH 101 -15.861 30.642 -2.113 1.00 50.05 O HETATM 1938 CL2 UNN A 102 -1.423 30.049 20.724 1.00 -0.08 CL HETATM 1939 C19 UNN A 102 -1.549 30.982 19.283 1.00 0.03 C HETATM 1940 C18 UNN A 102 -1.381 30.354 18.059 1.00 -0.05 C HETATM 1941 C17 UNN A 102 -1.486 31.090 16.886 1.00 -0.06 C HETATM 1942 C16 UNN A 102 -1.755 32.458 16.907 1.00 -0.04 C HETATM 1943 C21 UNN A 102 -1.914 33.082 18.147 1.00 -0.06 C HETATM 1944 C20 UNN A 102 -1.814 32.349 19.329 1.00 -0.05 C HETATM 1945 H3 UNN A 102 -1.943 32.843 20.285 1.00 0.06 H HETATM 1946 H4 UNN A 102 -2.117 34.146 18.191 1.00 0.06 H HETATM 1947 C15 UNN A 102 -1.827 33.169 15.686 1.00 -0.01 C HETATM 1948 C11 UNN A 102 -0.747 34.227 15.699 1.00 0.02 C HETATM 1949 C10 UNN A 102 -1.256 35.172 14.527 1.00 -0.00 C HETATM 1950 C9 UNN A 102 -0.325 36.500 14.308 1.00 -0.03 C HETATM 1951 N8 UNN A 102 0.951 36.032 14.047 1.00 0.25 N HETATM 1952 C13 UNN A 102 1.049 35.759 15.543 1.00 -0.03 C HETATM 1953 C12 UNN A 102 -0.323 35.374 16.395 1.00 -0.00 C HETATM 1954 H15 UNN A 102 -0.097 35.149 17.448 1.00 0.03 H HETATM 1955 H16 UNN A 102 -1.071 36.179 16.344 1.00 0.03 H HETATM 1956 H17 UNN A 102 1.750 34.921 15.670 1.00 0.08 H HETATM 1957 H18 UNN A 102 1.470 36.663 16.006 1.00 0.08 H HETATM 1958 C7 UNN A 102 2.344 36.427 13.731 1.00 0.00 C HETATM 1959 C2 UNN A 102 3.364 35.490 13.909 1.00 0.00 C HETATM 1960 C3 UNN A 102 4.289 35.724 14.936 1.00 -0.06 C HETATM 1961 C4 UNN A 102 5.347 34.858 15.197 1.00 -0.07 C HETATM 1962 C5 UNN A 102 5.502 33.740 14.396 1.00 -0.07 C HETATM 1963 C6 UNN A 102 4.584 33.517 13.369 1.00 -0.07 C HETATM 1964 C1 UNN A 102 3.516 34.375 13.100 1.00 -0.06 C HETATM 1965 H26 UNN A 102 2.829 34.176 12.286 1.00 0.06 H HETATM 1966 H25 UNN A 102 4.706 32.635 12.750 1.00 0.06 H HETATM 1967 H24 UNN A 102 6.321 33.050 14.563 1.00 0.06 H HETATM 1968 H23 UNN A 102 6.035 35.055 16.011 1.00 0.06 H HETATM 1969 H22 UNN A 102 4.176 36.611 15.549 1.00 0.06 H HETATM 1970 H20 UNN A 102 2.586 37.293 14.364 1.00 0.10 H HETATM 1971 H21 UNN A 102 2.363 36.729 12.673 1.00 0.10 H HETATM 1972 H19 UNN A 102 0.816 35.217 13.470 1.00 0.20 H HETATM 1973 H9 UNN A 102 -0.326 37.121 15.216 1.00 0.08 H HETATM 1974 H10 UNN A 102 -0.697 37.091 13.458 1.00 0.08 H HETATM 1975 H7 UNN A 102 -2.279 35.499 14.763 1.00 0.03 H HETATM 1976 H8 UNN A 102 -1.263 34.593 13.591 1.00 0.03 H HETATM 1977 C14 UNN A 102 0.305 33.215 15.182 1.00 0.08 C HETATM 1978 O27 UNN A 102 0.206 32.742 13.892 1.00 -0.39 O HETATM 1979 H12 UNN A 102 0.917 32.135 13.723 1.00 0.21 H HETATM 1980 C22 UNN A 102 1.314 32.552 16.126 1.00 0.06 C HETATM 1981 C23 UNN A 102 2.316 31.554 15.552 1.00 0.17 C HETATM 1982 O28 UNN A 102 2.239 31.058 14.425 1.00 -0.36 O HETATM 1983 C24 UNN A 102 3.241 30.998 16.625 1.00 0.12 C HETATM 1984 O26 UNN A 102 3.193 31.524 17.756 1.00 -0.55 O HETATM 1985 O25 UNN A 102 4.129 30.158 16.353 1.00 -0.55 O HETATM 1986 H13 UNN A 102 0.735 32.021 16.896 1.00 0.05 H HETATM 1987 H14 UNN A 102 1.895 33.359 16.596 1.00 0.05 H HETATM 1988 H11 UNN A 102 1.009 34.013 14.902 1.00 0.06 H HETATM 1989 H5 UNN A 102 -2.814 33.644 15.588 1.00 0.04 H HETATM 1990 H6 UNN A 102 -1.666 32.481 14.843 1.00 0.04 H HETATM 1991 H2 UNN A 102 -1.356 30.590 15.933 1.00 0.06 H HETATM 1992 H1 UNN A 102 -1.168 29.292 18.017 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 436 434 435 1837 CONECT 627 625 1838 CONECT 894 893 1838 CONECT 895 893 1837 CONECT 1023 1021 1837 CONECT 1028 1027 1837 CONECT 1837 436 895 1023 1028 CONECT 1838 627 894 CONECT 1938 1939 CONECT 1939 1938 1940 1944 CONECT 1940 1939 1941 1992 CONECT 1941 1940 1942 1991 CONECT 1942 1941 1943 1947 CONECT 1943 1942 1944 1946 CONECT 1944 1939 1943 1945 CONECT 1945 1944 CONECT 1946 1943 CONECT 1947 1942 1948 1989 1990 CONECT 1948 1947 1949 1953 1977 CONECT 1949 1948 1950 1975 1976 CONECT 1950 1949 1951 1973 1974 CONECT 1951 1950 1952 1958 1972 CONECT 1952 1951 1953 1956 1957 CONECT 1953 1948 1952 1954 1955 CONECT 1954 1953 CONECT 1955 1953 CONECT 1956 1952 CONECT 1957 1952 CONECT 1958 1951 1959 1970 1971 CONECT 1959 1958 1960 1964 CONECT 1960 1959 1961 1969 CONECT 1961 1960 1962 1968 CONECT 1962 1961 1963 1967 CONECT 1963 1962 1964 1966 CONECT 1964 1959 1963 1965 CONECT 1965 1964 CONECT 1966 1963 CONECT 1967 1962 CONECT 1968 1961 CONECT 1969 1960 CONECT 1970 1958 CONECT 1971 1958 CONECT 1972 1951 CONECT 1973 1950 CONECT 1974 1950 CONECT 1975 1949 CONECT 1976 1949 CONECT 1977 1948 1978 1980 1988 CONECT 1978 1977 1979 CONECT 1979 1978 CONECT 1980 1977 1981 1986 1987 CONECT 1981 1980 1982 1983 CONECT 1982 1981 CONECT 1983 1981 1984 1985 CONECT 1984 1983 CONECT 1985 1983 CONECT 1986 1980 CONECT 1987 1980 CONECT 1988 1977 CONECT 1989 1947 CONECT 1990 1947 CONECT 1991 1941 CONECT 1992 1940 MASTER 0 0 0 0 0 0 0 0 1991 1 67 14 END
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Related entries of code: 5fdg
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
4awk
RCSB PDB
PDBbind
183aa, >4AWK_1|Chain... at 95%
4yyl
RCSB PDB
PDBbind
191aa, >4YYL_1|Chain... at 93%
5fdd
RCSB PDB
PDBbind
191aa, >5FDD_1|Chain... at 93%
5i13
RCSB PDB
PDBbind
191aa, >5I13_1|Chain... at 93%
5w3i
RCSB PDB
PDBbind
201aa, >5W3I_1|Chain... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
4e5h
RCSB PDB
PDBbind
0N8
5cgv
RCSB PDB
PDBbind
0N8
5t2t
RCSB PDB
PDBbind
0N8
Entry Information
PDB ID
5fdg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
influenza strain H1N1 polymerase acidic subunit N-terminal region
Ligand Name
0N8
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=0.43uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Biochemistry Vol. 55: pp. 2646-2660
Ligand Properties
Formula
C
2
3
H
2
7
ClNO
4
Molecular Weight
416.918
Exact Mass
416.163
No. of atoms
56
No. of bonds
58
Polar Surface Area
79.04
LOGP Value
2.31 (
Computed with XLOGP3
)
3.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 8
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 3
Canonical SMILES
Clc1ccc(cc1)C[C@@]1(CC[N@@H+](CC1)Cc1ccccc1)[C@@H](CC(=O)C(=O)O)O
InChI String
InChI=1S/C23H26ClNO4/c24-19-8-6-17(7-9-19)15-23(21(27)14-20(26)22(28)29)10-12-25(13-11-23)16-18-4-2-1-3-5-18/h1-9,21,27H,10-16H2,(H,28,29)/p+1/t21-/m1/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):
P03433
Entrez Gene ID
NCBI Entrez Gene ID:
956535
ASD
Information of known allosteric effects of PDB entries
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