Browse entries in the PDBbind-CN Database
HEADER 4AZP_COMPLEX COMPND 4AZP_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 ALA SER LEU LYS ASP LEU GLU GLY LYS TRP ARG LEU MET SEQRES 2 A 134 GLU SER HIS GLY PHE GLU GLU TYR MET LYS GLU LEU GLY SEQRES 3 A 134 VAL GLY LEU ALA LEU ARG LYS MET ALA ALA MET ALA LYS SEQRES 4 A 134 PRO ASP CYS ILE ILE THR CYS ASP GLY ASN ASN ILE THR SEQRES 5 A 134 VAL LYS THR GLU SER THR VAL LYS THR THR VAL PHE SER SEQRES 6 A 134 CYS ASN LEU GLY GLU LYS PHE ASP GLU THR THR ALA ASP SEQRES 7 A 134 GLY ARG LYS THR GLU THR VAL CYS THR PHE GLN ASP GLY SEQRES 8 A 134 ALA LEU VAL GLN HIS GLN GLN TRP ASP GLY LYS GLU SER SEQRES 9 A 134 THR ILE THR ARG LYS LEU LYS ASP GLY LYS MET ILE VAL SEQRES 10 A 134 GLU CYS VAL MET ASN ASN ALA THR CYS THR ARG VAL TYR SEQRES 11 A 134 GLU LYS VAL GLN HET A A 9M 70 ATOM 1 N ALA A 2 31.778 10.219 23.312 1.00 52.13 N ATOM 2 CA ALA A 2 31.944 10.089 21.827 1.00 49.30 C ATOM 3 C ALA A 2 33.129 10.916 21.314 1.00 48.58 C ATOM 4 O ALA A 2 33.331 12.045 21.764 1.00 50.18 O ATOM 5 CB ALA A 2 30.650 10.452 21.102 1.00 48.19 C ATOM 6 HA ALA A 2 32.168 9.045 21.609 1.00 0.00 H ATOM 7 HB1 ALA A 2 29.853 9.783 21.427 1.00 0.00 H ATOM 8 HB2 ALA A 2 30.380 11.482 21.337 1.00 0.00 H ATOM 9 HB3 ALA A 2 30.796 10.350 20.027 1.00 0.00 H ATOM 10 HN3 ALA A 2 31.611 11.216 23.555 1.00 0.00 H ATOM 11 HN2 ALA A 2 32.641 9.885 23.787 1.00 0.00 H ATOM 12 HN1 ALA A 2 30.967 9.646 23.620 1.00 0.00 H ATOM 13 N SER A 3 33.909 10.340 20.394 1.00 46.50 N ATOM 14 CA SER A 3 35.114 10.975 19.847 1.00 45.96 C ATOM 15 C SER A 3 35.080 11.106 18.312 1.00 43.27 C ATOM 16 O SER A 3 34.213 10.532 17.647 1.00 41.46 O ATOM 17 CB SER A 3 36.353 10.173 20.242 1.00 47.79 C ATOM 18 OG SER A 3 36.391 8.945 19.528 1.00 48.61 O ATOM 19 HA SER A 3 35.151 11.980 20.267 1.00 0.00 H ATOM 20 HB2 SER A 3 36.323 9.967 21.312 1.00 0.00 H ATOM 21 HB3 SER A 3 37.246 10.753 20.010 1.00 0.00 H ATOM 22 HG SER A 3 35.581 8.416 19.740 1.00 0.00 H ATOM 23 H SER A 3 33.649 9.394 20.048 1.00 0.00 H ATOM 24 N LEU A 4 36.033 11.862 17.765 1.00 41.95 N ATOM 25 CA LEU A 4 36.139 12.075 16.328 1.00 39.99 C ATOM 26 C LEU A 4 36.550 10.779 15.592 1.00 38.97 C ATOM 27 O LEU A 4 35.996 10.430 14.539 1.00 36.18 O ATOM 28 CB LEU A 4 37.126 13.209 16.073 1.00 41.31 C ATOM 29 CG LEU A 4 37.367 13.745 14.667 1.00 41.31 C ATOM 30 CD1 LEU A 4 36.071 14.033 13.908 1.00 37.88 C ATOM 31 CD2 LEU A 4 38.270 14.991 14.740 1.00 42.64 C ATOM 32 HA LEU A 4 35.164 12.355 15.930 1.00 0.00 H ATOM 33 HB2 LEU A 4 36.787 14.054 16.672 1.00 0.00 H ATOM 34 HB3 LEU A 4 38.092 12.867 16.443 1.00 0.00 H ATOM 35 HG LEU A 4 37.873 12.967 14.096 1.00 0.00 H ATOM 36 HD21 LEU A 4 37.782 15.757 15.343 1.00 0.00 H ATOM 37 HD22 LEU A 4 39.223 14.721 15.195 1.00 0.00 H ATOM 38 HD23 LEU A 4 38.442 15.373 13.734 1.00 0.00 H ATOM 39 HD11 LEU A 4 35.492 13.114 13.818 1.00 0.00 H ATOM 40 HD12 LEU A 4 35.490 14.778 14.452 1.00 0.00 H ATOM 41 HD13 LEU A 4 36.310 14.412 12.914 1.00 0.00 H ATOM 42 H LEU A 4 36.728 12.318 18.390 1.00 0.00 H ATOM 43 N LYS A 5 37.498 10.062 16.191 1.00 39.79 N ATOM 44 CA LYS A 5 38.002 8.801 15.672 1.00 40.37 C ATOM 45 C LYS A 5 36.898 7.726 15.672 1.00 39.11 C ATOM 46 O LYS A 5 36.929 6.826 14.848 1.00 39.14 O ATOM 47 CB LYS A 5 39.241 8.354 16.482 1.00 42.83 C ATOM 48 CG LYS A 5 40.099 7.254 15.850 1.00 43.71 C ATOM 49 CD LYS A 5 40.645 7.685 14.495 1.00 46.11 C ATOM 50 CE LYS A 5 41.952 6.967 14.182 1.00 49.39 C ATOM 51 NZ LYS A 5 42.334 7.117 12.750 1.00 48.91 N ATOM 52 HA LYS A 5 38.310 8.941 14.636 1.00 0.00 H ATOM 53 HB2 LYS A 5 39.875 9.228 16.630 1.00 0.00 H ATOM 54 HB3 LYS A 5 38.894 7.991 17.449 1.00 0.00 H ATOM 55 HG2 LYS A 5 40.934 7.029 16.514 1.00 0.00 H ATOM 56 HG3 LYS A 5 39.490 6.360 15.719 1.00 0.00 H ATOM 57 HD2 LYS A 5 39.913 7.447 13.723 1.00 0.00 H ATOM 58 HD3 LYS A 5 40.822 8.760 14.507 1.00 0.00 H ATOM 59 HE2 LYS A 5 41.836 5.907 14.408 1.00 0.00 H ATOM 60 HE3 LYS A 5 42.743 7.385 14.805 1.00 0.00 H ATOM 61 HZ1 LYS A 5 41.587 6.714 12.149 1.00 0.00 H ATOM 62 HZ2 LYS A 5 42.453 8.126 12.528 1.00 0.00 H ATOM 63 HZ3 LYS A 5 43.228 6.615 12.577 1.00 0.00 H ATOM 64 H LYS A 5 37.900 10.424 17.079 1.00 0.00 H ATOM 65 N ASP A 6 35.927 7.841 16.577 1.00 38.87 N ATOM 66 CA ASP A 6 34.742 6.968 16.583 1.00 38.71 C ATOM 67 C ASP A 6 33.954 7.015 15.261 1.00 36.55 C ATOM 68 O ASP A 6 33.211 6.094 14.947 1.00 36.76 O ATOM 69 CB ASP A 6 33.771 7.339 17.719 1.00 38.99 C ATOM 70 CG ASP A 6 34.208 6.826 19.086 1.00 43.12 C ATOM 71 OD1 ASP A 6 35.005 5.866 19.186 1.00 43.81 O ATOM 72 OD2 ASP A 6 33.730 7.404 20.082 1.00 46.40 O ATOM 73 HA ASP A 6 35.135 5.962 16.728 1.00 0.00 H ATOM 74 HB2 ASP A 6 33.694 8.425 17.766 1.00 0.00 H ATOM 75 HB3 ASP A 6 32.793 6.917 17.489 1.00 0.00 H ATOM 76 H ASP A 6 36.010 8.576 17.308 1.00 0.00 H ATOM 77 N LEU A 7 34.104 8.086 14.497 1.00 35.66 N ATOM 78 CA LEU A 7 33.348 8.234 13.243 1.00 33.74 C ATOM 79 C LEU A 7 34.009 7.519 12.081 1.00 34.14 C ATOM 80 O LEU A 7 33.390 7.321 11.046 1.00 33.83 O ATOM 81 CB LEU A 7 33.174 9.705 12.900 1.00 33.20 C ATOM 82 CG LEU A 7 32.187 10.429 13.815 1.00 33.21 C ATOM 83 CD1 LEU A 7 32.134 11.899 13.444 1.00 31.64 C ATOM 84 CD2 LEU A 7 30.805 9.788 13.739 1.00 31.55 C ATOM 85 HA LEU A 7 32.374 7.773 13.406 1.00 0.00 H ATOM 86 HB2 LEU A 7 34.144 10.196 12.980 1.00 0.00 H ATOM 87 HB3 LEU A 7 32.814 9.781 11.874 1.00 0.00 H ATOM 88 HG LEU A 7 32.528 10.342 14.847 1.00 0.00 H ATOM 89 HD21 LEU A 7 30.437 9.840 12.714 1.00 0.00 H ATOM 90 HD22 LEU A 7 30.872 8.745 14.049 1.00 0.00 H ATOM 91 HD23 LEU A 7 30.121 10.322 14.399 1.00 0.00 H ATOM 92 HD11 LEU A 7 33.125 12.338 13.560 1.00 0.00 H ATOM 93 HD12 LEU A 7 31.810 12.000 12.408 1.00 0.00 H ATOM 94 HD13 LEU A 7 31.429 12.412 14.098 1.00 0.00 H ATOM 95 H LEU A 7 34.766 8.834 14.787 1.00 0.00 H ATOM 96 N GLU A 8 35.266 7.141 12.259 1.00 35.14 N ATOM 97 CA GLU A 8 36.066 6.625 11.172 1.00 36.09 C ATOM 98 C GLU A 8 35.571 5.241 10.767 1.00 36.06 C ATOM 99 O GLU A 8 35.198 4.434 11.613 1.00 36.02 O ATOM 100 CB GLU A 8 37.535 6.589 11.576 1.00 37.81 C ATOM 101 CG GLU A 8 38.445 5.870 10.600 1.00 40.60 C ATOM 102 CD GLU A 8 39.904 6.227 10.818 1.00 45.44 C ATOM 103 OE1 GLU A 8 40.520 5.636 11.733 1.00 49.16 O ATOM 104 OE2 GLU A 8 40.439 7.097 10.085 1.00 43.68 O ATOM 105 HA GLU A 8 35.968 7.284 10.309 1.00 0.00 H ATOM 106 HB2 GLU A 8 37.886 7.616 11.673 1.00 0.00 H ATOM 107 HB3 GLU A 8 37.609 6.088 12.541 1.00 0.00 H ATOM 108 HG2 GLU A 8 38.322 4.795 10.730 1.00 0.00 H ATOM 109 HG3 GLU A 8 38.162 6.147 9.584 1.00 0.00 H ATOM 110 H GLU A 8 35.688 7.218 13.206 1.00 0.00 H ATOM 111 N GLY A 9 35.544 4.989 9.464 1.00 36.16 N ATOM 112 CA GLY A 9 35.089 3.714 8.965 1.00 36.27 C ATOM 113 C GLY A 9 34.167 3.827 7.777 1.00 35.61 C ATOM 114 O GLY A 9 33.938 4.921 7.230 1.00 34.55 O ATOM 115 HA3 GLY A 9 34.559 3.199 9.766 1.00 0.00 H ATOM 116 HA2 GLY A 9 35.960 3.127 8.672 1.00 0.00 H ATOM 117 H GLY A 9 35.855 5.721 8.794 1.00 0.00 H ATOM 118 N LYS A 10 33.655 2.665 7.374 1.00 36.00 N ATOM 119 CA LYS A 10 32.753 2.532 6.243 1.00 36.06 C ATOM 120 C LYS A 10 31.344 2.318 6.768 1.00 34.88 C ATOM 121 O LYS A 10 31.101 1.377 7.521 1.00 36.53 O ATOM 122 CB LYS A 10 33.180 1.334 5.410 1.00 38.27 C ATOM 123 CG LYS A 10 32.543 1.275 4.064 1.00 40.04 C ATOM 124 CD LYS A 10 33.264 0.254 3.204 1.00 44.20 C ATOM 125 CE LYS A 10 32.470 -0.005 1.943 1.00 46.76 C ATOM 126 NZ LYS A 10 33.077 -1.109 1.134 1.00 48.03 N ATOM 127 HA LYS A 10 32.781 3.430 5.625 1.00 0.00 H ATOM 128 HB2 LYS A 10 34.261 1.376 5.277 1.00 0.00 H ATOM 129 HB3 LYS A 10 32.918 0.427 5.954 1.00 0.00 H ATOM 130 HG2 LYS A 10 31.497 0.987 4.170 1.00 0.00 H ATOM 131 HG3 LYS A 10 32.603 2.255 3.591 1.00 0.00 H ATOM 132 HD2 LYS A 10 34.250 0.635 2.939 1.00 0.00 H ATOM 133 HD3 LYS A 10 33.373 -0.677 3.761 1.00 0.00 H ATOM 134 HE2 LYS A 10 32.449 0.905 1.343 1.00 0.00 H ATOM 135 HE3 LYS A 10 31.452 -0.283 2.215 1.00 0.00 H ATOM 136 HZ1 LYS A 10 34.047 -0.848 0.866 1.00 0.00 H ATOM 137 HZ2 LYS A 10 33.095 -1.982 1.699 1.00 0.00 H ATOM 138 HZ3 LYS A 10 32.509 -1.261 0.276 1.00 0.00 H ATOM 139 H LYS A 10 33.916 1.805 7.898 1.00 0.00 H ATOM 140 N TRP A 11 30.428 3.185 6.354 1.00 33.65 N ATOM 141 CA TRP A 11 29.092 3.279 6.931 1.00 33.49 C ATOM 142 C TRP A 11 28.044 3.100 5.840 1.00 34.12 C ATOM 143 O TRP A 11 28.194 3.638 4.730 1.00 33.59 O ATOM 144 CB TRP A 11 28.883 4.645 7.609 1.00 31.63 C ATOM 145 CG TRP A 11 29.770 4.915 8.800 1.00 31.25 C ATOM 146 CD1 TRP A 11 30.968 5.602 8.795 1.00 33.07 C ATOM 147 CD2 TRP A 11 29.541 4.525 10.165 1.00 29.67 C ATOM 148 NE1 TRP A 11 31.485 5.656 10.068 1.00 31.26 N ATOM 149 CE2 TRP A 11 30.633 5.005 10.925 1.00 30.48 C ATOM 150 CE3 TRP A 11 28.493 3.840 10.831 1.00 28.54 C ATOM 151 CZ2 TRP A 11 30.713 4.828 12.311 1.00 31.36 C ATOM 152 CZ3 TRP A 11 28.586 3.632 12.182 1.00 28.95 C ATOM 153 CH2 TRP A 11 29.699 4.118 12.923 1.00 30.51 C ATOM 154 HA TRP A 11 28.989 2.493 7.679 1.00 0.00 H ATOM 155 HB2 TRP A 11 29.069 5.422 6.867 1.00 0.00 H ATOM 156 HB3 TRP A 11 27.846 4.702 7.941 1.00 0.00 H ATOM 157 HE1 TRP A 11 32.378 6.116 10.338 1.00 0.00 H ATOM 158 HD1 TRP A 11 31.435 6.037 7.912 1.00 0.00 H ATOM 159 HZ2 TRP A 11 31.545 5.235 12.886 1.00 0.00 H ATOM 160 HH2 TRP A 11 29.752 3.926 13.995 1.00 0.00 H ATOM 161 HZ3 TRP A 11 27.795 3.086 12.697 1.00 0.00 H ATOM 162 HE3 TRP A 11 27.625 3.484 10.276 1.00 0.00 H ATOM 163 H TRP A 11 30.676 3.831 5.578 1.00 0.00 H ATOM 164 N ARG A 12 26.972 2.374 6.157 1.00 33.57 N ATOM 165 CA ARG A 12 25.889 2.201 5.205 1.00 33.80 C ATOM 166 C ARG A 12 24.597 2.807 5.720 1.00 33.54 C ATOM 167 O ARG A 12 24.243 2.640 6.890 1.00 33.22 O ATOM 168 CB ARG A 12 25.690 0.722 4.887 1.00 36.25 C ATOM 169 CG ARG A 12 24.530 0.483 3.926 1.00 38.03 C ATOM 170 CD ARG A 12 24.873 -0.545 2.926 1.00 43.52 C ATOM 171 NE ARG A 12 26.116 -0.257 2.211 1.00 40.67 N ATOM 172 CZ ARG A 12 26.999 -1.209 1.867 1.00 45.15 C ATOM 173 NH1 ARG A 12 26.792 -2.505 2.182 1.00 43.75 N ATOM 174 NH2 ARG A 12 28.113 -0.881 1.228 1.00 44.58 N ATOM 175 HA ARG A 12 26.164 2.725 4.290 1.00 0.00 H ATOM 176 HB2 ARG A 12 26.604 0.335 4.436 1.00 0.00 H ATOM 177 HB3 ARG A 12 25.491 0.188 5.816 1.00 0.00 H ATOM 178 HG2 ARG A 12 23.660 0.152 4.493 1.00 0.00 H ATOM 179 HG3 ARG A 12 24.295 1.415 3.413 1.00 0.00 H ATOM 180 HD2 ARG A 12 24.062 -0.608 2.201 1.00 0.00 H ATOM 181 HD3 ARG A 12 24.979 -1.503 3.435 1.00 0.00 H ATOM 182 HE ARG A 12 26.326 0.730 1.957 1.00 0.00 H ATOM 183 HH12 ARG A 12 27.489 -3.225 1.905 1.00 0.00 H ATOM 184 HH11 ARG A 12 25.935 -2.783 2.701 1.00 0.00 H ATOM 185 HH22 ARG A 12 28.796 -1.619 0.962 1.00 0.00 H ATOM 186 HH21 ARG A 12 28.304 0.114 0.993 1.00 0.00 H ATOM 187 H ARG A 12 26.911 1.928 7.094 1.00 0.00 H ATOM 188 N LEU A 13 23.894 3.512 4.848 1.00 33.00 N ATOM 189 CA LEU A 13 22.640 4.137 5.201 1.00 33.74 C ATOM 190 C LEU A 13 21.623 3.040 5.534 1.00 35.79 C ATOM 191 O LEU A 13 21.479 2.071 4.786 1.00 37.74 O ATOM 192 CB LEU A 13 22.121 5.008 4.042 1.00 33.42 C ATOM 193 CG LEU A 13 20.798 5.734 4.360 1.00 33.29 C ATOM 194 CD1 LEU A 13 21.041 6.863 5.365 1.00 26.90 C ATOM 195 CD2 LEU A 13 20.144 6.292 3.113 1.00 34.28 C ATOM 196 HA LEU A 13 22.787 4.784 6.066 1.00 0.00 H ATOM 197 HB2 LEU A 13 22.878 5.757 3.808 1.00 0.00 H ATOM 198 HB3 LEU A 13 21.963 4.368 3.174 1.00 0.00 H ATOM 199 HG LEU A 13 20.120 4.998 4.792 1.00 0.00 H ATOM 200 HD21 LEU A 13 20.819 7.004 2.638 1.00 0.00 H ATOM 201 HD22 LEU A 13 19.929 5.477 2.422 1.00 0.00 H ATOM 202 HD23 LEU A 13 19.216 6.794 3.385 1.00 0.00 H ATOM 203 HD11 LEU A 13 21.450 6.446 6.286 1.00 0.00 H ATOM 204 HD12 LEU A 13 21.748 7.578 4.943 1.00 0.00 H ATOM 205 HD13 LEU A 13 20.098 7.366 5.579 1.00 0.00 H ATOM 206 H LEU A 13 24.255 3.619 3.879 1.00 0.00 H ATOM 207 N MET A 14 20.954 3.165 6.670 1.00 35.72 N ATOM 208 CA MET A 14 19.968 2.158 7.066 1.00 38.37 C ATOM 209 C MET A 14 18.572 2.730 7.207 1.00 38.83 C ATOM 210 O MET A 14 17.585 2.024 7.009 1.00 41.12 O ATOM 211 CB MET A 14 20.406 1.480 8.372 1.00 39.44 C ATOM 212 CG MET A 14 21.740 0.723 8.235 1.00 40.27 C ATOM 213 SD MET A 14 21.693 -0.511 6.902 1.00 48.78 S ATOM 214 CE MET A 14 20.723 -1.831 7.600 1.00 50.10 C ATOM 215 HA MET A 14 19.924 1.418 6.267 1.00 0.00 H ATOM 216 HB2 MET A 14 20.517 2.244 9.141 1.00 0.00 H ATOM 217 HB3 MET A 14 19.633 0.773 8.673 1.00 0.00 H ATOM 218 HG2 MET A 14 21.955 0.216 9.176 1.00 0.00 H ATOM 219 HG3 MET A 14 22.532 1.441 8.021 1.00 0.00 H ATOM 220 HE1 MET A 14 21.214 -2.206 8.498 1.00 0.00 H ATOM 221 HE2 MET A 14 19.732 -1.456 7.856 1.00 0.00 H ATOM 222 HE3 MET A 14 20.631 -2.637 6.872 1.00 0.00 H ATOM 223 H MET A 14 21.130 3.985 7.285 1.00 0.00 H ATOM 224 N GLU A 15 18.490 4.013 7.546 1.00 37.50 N ATOM 225 CA GLU A 15 17.203 4.680 7.833 1.00 38.69 C ATOM 226 C GLU A 15 17.328 6.138 7.439 1.00 36.84 C ATOM 227 O GLU A 15 18.365 6.734 7.684 1.00 35.46 O ATOM 228 CB GLU A 15 16.926 4.683 9.336 1.00 38.97 C ATOM 229 CG GLU A 15 16.404 3.431 9.983 1.00 41.55 C ATOM 230 CD GLU A 15 16.172 3.679 11.463 1.00 42.76 C ATOM 231 OE1 GLU A 15 15.238 4.438 11.797 1.00 43.41 O ATOM 232 OE2 GLU A 15 16.945 3.148 12.287 1.00 43.38 O ATOM 233 HA GLU A 15 16.414 4.156 7.293 1.00 0.00 H ATOM 234 HB2 GLU A 15 17.863 4.933 9.833 1.00 0.00 H ATOM 235 HB3 GLU A 15 16.195 5.469 9.525 1.00 0.00 H ATOM 236 HG2 GLU A 15 15.464 3.144 9.512 1.00 0.00 H ATOM 237 HG3 GLU A 15 17.131 2.628 9.859 1.00 0.00 H ATOM 238 H GLU A 15 19.366 4.569 7.612 1.00 0.00 H ATOM 239 N SER A 16 16.263 6.713 6.887 1.00 37.86 N ATOM 240 CA SER A 16 16.195 8.141 6.567 1.00 37.09 C ATOM 241 C SER A 16 14.802 8.719 6.866 1.00 38.98 C ATOM 242 O SER A 16 13.785 8.083 6.576 1.00 39.46 O ATOM 243 CB SER A 16 16.493 8.337 5.090 1.00 37.29 C ATOM 244 OG SER A 16 16.688 9.700 4.791 1.00 36.85 O ATOM 245 HA SER A 16 16.928 8.660 7.185 1.00 0.00 H ATOM 246 HB2 SER A 16 15.655 7.959 4.504 1.00 0.00 H ATOM 247 HB3 SER A 16 17.395 7.782 4.831 1.00 0.00 H ATOM 248 HG SER A 16 15.869 10.207 5.020 1.00 0.00 H ATOM 249 H SER A 16 15.437 6.119 6.672 1.00 0.00 H ATOM 250 N HIS A 17 14.778 9.924 7.440 1.00 38.03 N ATOM 251 CA HIS A 17 13.553 10.669 7.691 1.00 39.77 C ATOM 252 C HIS A 17 13.775 12.129 7.335 1.00 38.96 C ATOM 253 O HIS A 17 14.771 12.728 7.726 1.00 37.76 O ATOM 254 CB HIS A 17 13.097 10.517 9.157 1.00 40.45 C ATOM 255 CG HIS A 17 12.674 9.125 9.503 1.00 42.63 C ATOM 256 ND1 HIS A 17 13.556 8.173 9.970 1.00 42.11 N ATOM 257 CD2 HIS A 17 11.469 8.514 9.423 1.00 45.63 C ATOM 258 CE1 HIS A 17 12.911 7.039 10.171 1.00 43.58 C ATOM 259 NE2 HIS A 17 11.642 7.219 9.850 1.00 46.59 N ATOM 260 HA HIS A 17 12.757 10.265 7.066 1.00 0.00 H ATOM 261 HB2 HIS A 17 13.924 10.800 9.808 1.00 0.00 H ATOM 262 HB3 HIS A 17 12.255 11.188 9.329 1.00 0.00 H ATOM 263 HD2 HIS A 17 10.536 8.964 9.084 1.00 0.00 H ATOM 264 HE1 HIS A 17 13.350 6.112 10.539 1.00 0.00 H ATOM 265 H HIS A 17 15.682 10.353 7.723 1.00 0.00 H ATOM 266 N GLY A 18 12.849 12.688 6.569 1.00 40.03 N ATOM 267 CA GLY A 18 12.851 14.105 6.252 1.00 39.51 C ATOM 268 C GLY A 18 13.824 14.514 5.160 1.00 38.78 C ATOM 269 O GLY A 18 14.082 15.703 4.975 1.00 38.48 O ATOM 270 HA3 GLY A 18 13.107 14.655 7.158 1.00 0.00 H ATOM 271 HA2 GLY A 18 11.847 14.382 5.932 1.00 0.00 H ATOM 272 H GLY A 18 12.093 12.089 6.180 1.00 0.00 H ATOM 273 N PHE A 19 14.377 13.539 4.446 1.00 38.86 N ATOM 274 CA PHE A 19 15.445 13.818 3.484 1.00 38.90 C ATOM 275 C PHE A 19 14.959 14.628 2.261 1.00 40.69 C ATOM 276 O PHE A 19 15.580 15.636 1.874 1.00 39.97 O ATOM 277 CB PHE A 19 16.139 12.509 3.063 1.00 38.77 C ATOM 278 CG PHE A 19 17.441 12.722 2.344 1.00 37.84 C ATOM 279 CD1 PHE A 19 18.334 13.717 2.765 1.00 37.09 C ATOM 280 CD2 PHE A 19 17.779 11.939 1.247 1.00 39.69 C ATOM 281 CE1 PHE A 19 19.537 13.943 2.094 1.00 37.99 C ATOM 282 CE2 PHE A 19 19.003 12.141 0.567 1.00 41.21 C ATOM 283 CZ PHE A 19 19.885 13.141 0.992 1.00 38.93 C ATOM 284 HA PHE A 19 16.175 14.453 3.986 1.00 0.00 H ATOM 285 HB2 PHE A 19 16.332 11.918 3.958 1.00 0.00 H ATOM 286 HB3 PHE A 19 15.467 11.959 2.404 1.00 0.00 H ATOM 287 HD2 PHE A 19 17.095 11.162 0.907 1.00 0.00 H ATOM 288 HE2 PHE A 19 19.259 11.517 -0.289 1.00 0.00 H ATOM 289 HZ PHE A 19 20.832 13.297 0.475 1.00 0.00 H ATOM 290 HE1 PHE A 19 20.205 14.739 2.423 1.00 0.00 H ATOM 291 HD1 PHE A 19 18.084 14.326 3.634 1.00 0.00 H ATOM 292 H PHE A 19 14.046 12.561 4.573 1.00 0.00 H ATOM 293 N GLU A 20 13.843 14.189 1.679 1.00 42.85 N ATOM 294 CA GLU A 20 13.190 14.863 0.548 1.00 45.38 C ATOM 295 C GLU A 20 12.981 16.360 0.816 1.00 44.43 C ATOM 296 O GLU A 20 13.375 17.206 0.012 1.00 44.21 O ATOM 297 CB GLU A 20 11.832 14.192 0.276 1.00 48.21 C ATOM 298 CG GLU A 20 11.005 14.788 -0.880 1.00 53.98 C ATOM 299 CD GLU A 20 10.922 13.868 -2.118 1.00 60.46 C ATOM 300 OE1 GLU A 20 11.279 12.655 -2.005 1.00 61.97 O ATOM 301 OE2 GLU A 20 10.497 14.367 -3.200 1.00 61.10 O ATOM 302 HA GLU A 20 13.841 14.772 -0.322 1.00 0.00 H ATOM 303 HB2 GLU A 20 12.018 13.143 0.047 1.00 0.00 H ATOM 304 HB3 GLU A 20 11.236 14.264 1.185 1.00 0.00 H ATOM 305 HG2 GLU A 20 9.993 14.974 -0.520 1.00 0.00 H ATOM 306 HG3 GLU A 20 11.462 15.731 -1.181 1.00 0.00 H ATOM 307 H GLU A 20 13.409 13.318 2.047 1.00 0.00 H ATOM 308 N GLU A 21 12.361 16.655 1.961 1.00 44.13 N ATOM 309 CA GLU A 21 12.058 18.016 2.389 1.00 44.03 C ATOM 310 C GLU A 21 13.351 18.819 2.581 1.00 41.25 C ATOM 311 O GLU A 21 13.449 19.956 2.117 1.00 41.89 O ATOM 312 CB GLU A 21 11.232 17.989 3.686 1.00 44.91 C ATOM 313 CG GLU A 21 9.862 17.286 3.561 1.00 50.44 C ATOM 314 CD GLU A 21 9.889 15.811 4.012 1.00 54.32 C ATOM 315 OE1 GLU A 21 10.901 15.100 3.794 1.00 52.97 O ATOM 316 OE2 GLU A 21 8.877 15.353 4.587 1.00 58.62 O ATOM 317 HA GLU A 21 11.469 18.506 1.614 1.00 0.00 H ATOM 318 HB2 GLU A 21 11.813 17.470 4.449 1.00 0.00 H ATOM 319 HB3 GLU A 21 11.059 19.018 4.001 1.00 0.00 H ATOM 320 HG2 GLU A 21 9.140 17.823 4.176 1.00 0.00 H ATOM 321 HG3 GLU A 21 9.548 17.323 2.518 1.00 0.00 H ATOM 322 H GLU A 21 12.078 15.871 2.582 1.00 0.00 H ATOM 323 N TYR A 22 14.348 18.208 3.232 1.00 38.30 N ATOM 324 CA TYR A 22 15.666 18.829 3.385 1.00 35.85 C ATOM 325 C TYR A 22 16.269 19.195 2.024 1.00 35.82 C ATOM 326 O TYR A 22 16.649 20.334 1.799 1.00 34.79 O ATOM 327 CB TYR A 22 16.636 17.942 4.193 1.00 34.19 C ATOM 328 CG TYR A 22 18.042 18.492 4.242 1.00 32.23 C ATOM 329 CD1 TYR A 22 18.345 19.632 4.993 1.00 33.01 C ATOM 330 CD2 TYR A 22 19.071 17.885 3.523 1.00 32.68 C ATOM 331 CE1 TYR A 22 19.657 20.159 5.031 1.00 31.64 C ATOM 332 CE2 TYR A 22 20.379 18.400 3.544 1.00 32.61 C ATOM 333 CZ TYR A 22 20.663 19.537 4.295 1.00 33.54 C ATOM 334 OH TYR A 22 21.958 20.039 4.314 1.00 35.43 O ATOM 335 HA TYR A 22 15.518 19.748 3.952 1.00 0.00 H ATOM 336 HB3 TYR A 22 16.666 16.953 3.735 1.00 0.00 H ATOM 337 HB2 TYR A 22 16.261 17.857 5.213 1.00 0.00 H ATOM 338 HD2 TYR A 22 18.857 16.994 2.933 1.00 0.00 H ATOM 339 HE2 TYR A 22 21.168 17.910 2.974 1.00 0.00 H ATOM 340 HE1 TYR A 22 19.879 21.042 5.630 1.00 0.00 H ATOM 341 HD1 TYR A 22 17.555 20.124 5.560 1.00 0.00 H ATOM 342 HH TYR A 22 21.990 20.843 4.890 1.00 0.00 H ATOM 343 H TYR A 22 14.182 17.266 3.641 1.00 0.00 H ATOM 344 N MET A 23 16.312 18.234 1.108 1.00 36.27 N ATOM 345 CA MET A 23 16.793 18.507 -0.247 1.00 37.21 C ATOM 346 C MET A 23 16.000 19.622 -0.973 1.00 38.91 C ATOM 347 O MET A 23 16.586 20.467 -1.664 1.00 39.46 O ATOM 348 CB MET A 23 16.827 17.223 -1.064 1.00 37.65 C ATOM 349 CG MET A 23 17.971 16.279 -0.658 1.00 37.99 C ATOM 350 SD MET A 23 18.141 14.864 -1.767 1.00 41.25 S ATOM 351 CE MET A 23 16.581 13.996 -1.520 1.00 40.84 C ATOM 352 HA MET A 23 17.808 18.892 -0.148 1.00 0.00 H ATOM 353 HB2 MET A 23 15.880 16.700 -0.928 1.00 0.00 H ATOM 354 HB3 MET A 23 16.949 17.484 -2.115 1.00 0.00 H ATOM 355 HG2 MET A 23 17.777 15.911 0.349 1.00 0.00 H ATOM 356 HG3 MET A 23 18.905 16.841 -0.665 1.00 0.00 H ATOM 357 HE1 MET A 23 16.489 13.708 -0.473 1.00 0.00 H ATOM 358 HE2 MET A 23 15.754 14.653 -1.791 1.00 0.00 H ATOM 359 HE3 MET A 23 16.559 13.105 -2.147 1.00 0.00 H ATOM 360 H MET A 23 15.999 17.274 1.357 1.00 0.00 H ATOM 361 N LYS A 24 14.684 19.650 -0.784 1.00 40.36 N ATOM 362 CA LYS A 24 13.864 20.714 -1.397 1.00 42.17 C ATOM 363 C LYS A 24 14.257 22.073 -0.847 1.00 41.37 C ATOM 364 O LYS A 24 14.416 23.018 -1.599 1.00 42.14 O ATOM 365 CB LYS A 24 12.367 20.475 -1.198 1.00 44.02 C ATOM 366 CG LYS A 24 11.531 21.169 -2.262 1.00 47.43 C ATOM 367 CD LYS A 24 10.045 21.061 -2.014 1.00 52.46 C ATOM 368 CE LYS A 24 9.289 22.028 -2.949 1.00 54.84 C ATOM 369 NZ LYS A 24 7.922 21.519 -3.197 1.00 58.50 N ATOM 370 HA LYS A 24 14.059 20.692 -2.469 1.00 0.00 H ATOM 371 HB2 LYS A 24 12.173 19.403 -1.242 1.00 0.00 H ATOM 372 HB3 LYS A 24 12.077 20.856 -0.219 1.00 0.00 H ATOM 373 HG2 LYS A 24 11.803 22.224 -2.284 1.00 0.00 H ATOM 374 HG3 LYS A 24 11.755 20.717 -3.228 1.00 0.00 H ATOM 375 HD2 LYS A 24 9.718 20.039 -2.208 1.00 0.00 H ATOM 376 HD3 LYS A 24 9.831 21.318 -0.977 1.00 0.00 H ATOM 377 HE2 LYS A 24 9.823 22.108 -3.896 1.00 0.00 H ATOM 378 HE3 LYS A 24 9.230 23.011 -2.482 1.00 0.00 H ATOM 379 HZ1 LYS A 24 7.978 20.581 -3.644 1.00 0.00 H ATOM 380 HZ2 LYS A 24 7.412 21.444 -2.294 1.00 0.00 H ATOM 381 HZ3 LYS A 24 7.418 22.175 -3.827 1.00 0.00 H ATOM 382 H LYS A 24 14.230 18.918 -0.201 1.00 0.00 H ATOM 383 N GLU A 25 14.444 22.153 0.468 1.00 40.14 N ATOM 384 CA GLU A 25 14.928 23.373 1.089 1.00 40.32 C ATOM 385 C GLU A 25 16.285 23.771 0.507 1.00 39.63 C ATOM 386 O GLU A 25 16.539 24.944 0.296 1.00 39.69 O ATOM 387 CB GLU A 25 15.006 23.214 2.599 1.00 39.53 C ATOM 388 CG GLU A 25 15.199 24.512 3.360 1.00 43.61 C ATOM 389 CD GLU A 25 13.917 25.332 3.467 1.00 50.61 C ATOM 390 OE1 GLU A 25 12.813 24.775 3.251 1.00 54.01 O ATOM 391 OE2 GLU A 25 14.018 26.543 3.766 1.00 52.34 O ATOM 392 HA GLU A 25 14.220 24.173 0.873 1.00 0.00 H ATOM 393 HB2 GLU A 25 14.079 22.753 2.941 1.00 0.00 H ATOM 394 HB3 GLU A 25 15.844 22.556 2.829 1.00 0.00 H ATOM 395 HG2 GLU A 25 15.548 24.278 4.366 1.00 0.00 H ATOM 396 HG3 GLU A 25 15.952 25.109 2.846 1.00 0.00 H ATOM 397 H GLU A 25 14.239 21.325 1.063 1.00 0.00 H ATOM 398 N LEU A 26 17.145 22.790 0.228 1.00 38.84 N ATOM 399 CA LEU A 26 18.438 23.077 -0.427 1.00 38.99 C ATOM 400 C LEU A 26 18.296 23.574 -1.864 1.00 40.61 C ATOM 401 O LEU A 26 19.236 24.140 -2.399 1.00 41.58 O ATOM 402 CB LEU A 26 19.349 21.845 -0.422 1.00 37.59 C ATOM 403 CG LEU A 26 19.973 21.346 0.885 1.00 35.58 C ATOM 404 CD1 LEU A 26 20.734 20.061 0.576 1.00 34.50 C ATOM 405 CD2 LEU A 26 20.926 22.409 1.460 1.00 33.02 C ATOM 406 HA LEU A 26 18.883 23.879 0.162 1.00 0.00 H ATOM 407 HB2 LEU A 26 18.761 21.020 -0.823 1.00 0.00 H ATOM 408 HB3 LEU A 26 20.175 22.064 -1.099 1.00 0.00 H ATOM 409 HG LEU A 26 19.199 21.157 1.628 1.00 0.00 H ATOM 410 HD21 LEU A 26 21.719 22.612 0.740 1.00 0.00 H ATOM 411 HD22 LEU A 26 20.370 23.325 1.657 1.00 0.00 H ATOM 412 HD23 LEU A 26 21.362 22.040 2.389 1.00 0.00 H ATOM 413 HD11 LEU A 26 20.043 19.318 0.178 1.00 0.00 H ATOM 414 HD12 LEU A 26 21.511 20.268 -0.160 1.00 0.00 H ATOM 415 HD13 LEU A 26 21.190 19.682 1.490 1.00 0.00 H ATOM 416 H LEU A 26 16.902 21.809 0.475 1.00 0.00 H ATOM 417 N GLY A 27 17.132 23.346 -2.481 1.00 41.71 N ATOM 418 CA GLY A 27 16.901 23.698 -3.873 1.00 43.26 C ATOM 419 C GLY A 27 17.154 22.571 -4.873 1.00 43.74 C ATOM 420 O GLY A 27 17.224 22.812 -6.068 1.00 45.48 O ATOM 421 HA3 GLY A 27 17.559 24.529 -4.126 1.00 0.00 H ATOM 422 HA2 GLY A 27 15.863 24.014 -3.975 1.00 0.00 H ATOM 423 H GLY A 27 16.361 22.899 -1.944 1.00 0.00 H ATOM 424 N VAL A 28 17.312 21.340 -4.391 1.00 42.31 N ATOM 425 CA VAL A 28 17.467 20.188 -5.276 1.00 42.84 C ATOM 426 C VAL A 28 16.138 19.921 -6.025 1.00 44.32 C ATOM 427 O VAL A 28 15.075 19.812 -5.401 1.00 43.77 O ATOM 428 CB VAL A 28 17.880 18.902 -4.486 1.00 41.02 C ATOM 429 CG1 VAL A 28 18.349 17.824 -5.426 1.00 42.34 C ATOM 430 CG2 VAL A 28 18.984 19.189 -3.459 1.00 40.21 C ATOM 431 HA VAL A 28 18.260 20.421 -5.986 1.00 0.00 H ATOM 432 HB VAL A 28 16.992 18.563 -3.953 1.00 0.00 H ATOM 433 HG11 VAL A 28 17.544 17.570 -6.116 1.00 0.00 H ATOM 434 HG12 VAL A 28 19.211 18.184 -5.988 1.00 0.00 H ATOM 435 HG13 VAL A 28 18.630 16.941 -4.853 1.00 0.00 H ATOM 436 HG21 VAL A 28 19.866 19.572 -3.973 1.00 0.00 H ATOM 437 HG22 VAL A 28 18.629 19.930 -2.743 1.00 0.00 H ATOM 438 HG23 VAL A 28 19.239 18.268 -2.934 1.00 0.00 H ATOM 439 H VAL A 28 17.325 21.195 -3.361 1.00 0.00 H ATOM 440 N GLY A 29 16.206 19.804 -7.349 1.00 46.30 N ATOM 441 CA GLY A 29 15.026 19.491 -8.179 1.00 48.42 C ATOM 442 C GLY A 29 14.473 18.073 -7.994 1.00 48.79 C ATOM 443 O GLY A 29 15.155 17.199 -7.449 1.00 47.16 O ATOM 444 HA3 GLY A 29 15.304 19.614 -9.226 1.00 0.00 H ATOM 445 HA2 GLY A 29 14.236 20.199 -7.929 1.00 0.00 H ATOM 446 H GLY A 29 17.125 19.938 -7.817 1.00 0.00 H ATOM 447 N LEU A 30 13.239 17.833 -8.453 1.00 50.60 N ATOM 448 CA LEU A 30 12.548 16.552 -8.215 1.00 51.05 C ATOM 449 C LEU A 30 13.328 15.300 -8.701 1.00 51.35 C ATOM 450 O LEU A 30 13.546 14.364 -7.925 1.00 49.27 O ATOM 451 CB LEU A 30 11.111 16.587 -8.776 1.00 53.55 C ATOM 452 CG LEU A 30 10.256 15.311 -8.695 1.00 55.66 C ATOM 453 CD1 LEU A 30 9.803 15.021 -7.262 1.00 54.26 C ATOM 454 CD2 LEU A 30 9.044 15.373 -9.645 1.00 58.21 C ATOM 455 HA LEU A 30 12.497 16.442 -7.132 1.00 0.00 H ATOM 456 HB2 LEU A 30 10.575 17.368 -8.237 1.00 0.00 H ATOM 457 HB3 LEU A 30 11.184 16.859 -9.829 1.00 0.00 H ATOM 458 HG LEU A 30 10.893 14.488 -9.018 1.00 0.00 H ATOM 459 HD21 LEU A 30 8.417 16.223 -9.377 1.00 0.00 H ATOM 460 HD22 LEU A 30 9.394 15.487 -10.671 1.00 0.00 H ATOM 461 HD23 LEU A 30 8.467 14.452 -9.556 1.00 0.00 H ATOM 462 HD11 LEU A 30 10.678 14.889 -6.625 1.00 0.00 H ATOM 463 HD12 LEU A 30 9.208 15.857 -6.894 1.00 0.00 H ATOM 464 HD13 LEU A 30 9.202 14.112 -7.249 1.00 0.00 H ATOM 465 H LEU A 30 12.751 18.574 -8.995 1.00 0.00 H ATOM 466 N ALA A 31 13.749 15.301 -9.968 1.00 53.72 N ATOM 467 CA ALA A 31 14.478 14.173 -10.562 1.00 55.29 C ATOM 468 C ALA A 31 15.667 13.766 -9.701 1.00 52.83 C ATOM 469 O ALA A 31 15.847 12.590 -9.379 1.00 52.92 O ATOM 470 CB ALA A 31 14.934 14.509 -11.987 1.00 57.88 C ATOM 471 HA ALA A 31 13.794 13.326 -10.610 1.00 0.00 H ATOM 472 HB1 ALA A 31 14.062 14.729 -12.604 1.00 0.00 H ATOM 473 HB2 ALA A 31 15.591 15.378 -11.961 1.00 0.00 H ATOM 474 HB3 ALA A 31 15.471 13.658 -12.405 1.00 0.00 H ATOM 475 H ALA A 31 13.553 16.134 -10.558 1.00 0.00 H ATOM 476 N LEU A 32 16.461 14.757 -9.323 1.00 51.25 N ATOM 477 CA LEU A 32 17.643 14.559 -8.529 1.00 48.98 C ATOM 478 C LEU A 32 17.295 14.085 -7.120 1.00 46.76 C ATOM 479 O LEU A 32 17.988 13.213 -6.571 1.00 45.09 O ATOM 480 CB LEU A 32 18.390 15.875 -8.449 1.00 48.53 C ATOM 481 CG LEU A 32 19.809 15.895 -8.987 1.00 51.86 C ATOM 482 CD1 LEU A 32 19.816 15.658 -10.498 1.00 54.83 C ATOM 483 CD2 LEU A 32 20.453 17.248 -8.634 1.00 54.92 C ATOM 484 HA LEU A 32 18.258 13.790 -8.997 1.00 0.00 H ATOM 485 HB2 LEU A 32 17.816 16.614 -9.008 1.00 0.00 H ATOM 486 HB3 LEU A 32 18.432 16.167 -7.400 1.00 0.00 H ATOM 487 HG LEU A 32 20.388 15.092 -8.530 1.00 0.00 H ATOM 488 HD21 LEU A 32 19.874 18.053 -9.086 1.00 0.00 H ATOM 489 HD22 LEU A 32 20.466 17.371 -7.551 1.00 0.00 H ATOM 490 HD23 LEU A 32 21.474 17.274 -9.016 1.00 0.00 H ATOM 491 HD11 LEU A 32 19.370 14.687 -10.714 1.00 0.00 H ATOM 492 HD12 LEU A 32 19.240 16.442 -10.990 1.00 0.00 H ATOM 493 HD13 LEU A 32 20.843 15.676 -10.863 1.00 0.00 H ATOM 494 H LEU A 32 16.217 15.725 -9.615 1.00 0.00 H ATOM 495 N ARG A 33 16.231 14.659 -6.545 1.00 46.31 N ATOM 496 CA ARG A 33 15.724 14.257 -5.219 1.00 45.17 C ATOM 497 C ARG A 33 15.386 12.779 -5.166 1.00 47.02 C ATOM 498 O ARG A 33 15.770 12.104 -4.209 1.00 45.22 O ATOM 499 CB ARG A 33 14.484 15.053 -4.797 1.00 45.08 C ATOM 500 CG ARG A 33 14.766 16.455 -4.299 1.00 41.85 C ATOM 501 CD ARG A 33 13.679 16.995 -3.373 1.00 38.85 C ATOM 502 NE ARG A 33 12.307 16.864 -3.875 1.00 40.65 N ATOM 503 CZ ARG A 33 11.673 17.763 -4.641 1.00 40.35 C ATOM 504 NH1 ARG A 33 12.276 18.876 -5.055 1.00 38.13 N ATOM 505 NH2 ARG A 33 10.426 17.534 -5.013 1.00 40.97 N ATOM 506 HA ARG A 33 16.536 14.472 -4.525 1.00 0.00 H ATOM 507 HB2 ARG A 33 13.819 15.126 -5.658 1.00 0.00 H ATOM 508 HB3 ARG A 33 13.984 14.504 -3.999 1.00 0.00 H ATOM 509 HG2 ARG A 33 15.711 16.446 -3.756 1.00 0.00 H ATOM 510 HG3 ARG A 33 14.849 17.118 -5.160 1.00 0.00 H ATOM 511 HD2 ARG A 33 13.876 18.053 -3.203 1.00 0.00 H ATOM 512 HD3 ARG A 33 13.745 16.458 -2.427 1.00 0.00 H ATOM 513 HE ARG A 33 11.784 16.004 -3.616 1.00 0.00 H ATOM 514 HH12 ARG A 33 11.760 19.557 -5.649 1.00 0.00 H ATOM 515 HH11 ARG A 33 13.262 19.064 -4.785 1.00 0.00 H ATOM 516 HH22 ARG A 33 9.925 18.225 -5.607 1.00 0.00 H ATOM 517 HH21 ARG A 33 9.945 16.663 -4.712 1.00 0.00 H ATOM 518 H ARG A 33 15.741 15.421 -7.055 1.00 0.00 H ATOM 519 N LYS A 34 14.674 12.292 -6.189 1.00 50.47 N ATOM 520 CA LYS A 34 14.243 10.893 -6.259 1.00 53.33 C ATOM 521 C LYS A 34 15.421 9.955 -6.446 1.00 53.66 C ATOM 522 O LYS A 34 15.405 8.834 -5.945 1.00 53.70 O ATOM 523 CB LYS A 34 13.211 10.662 -7.378 1.00 56.78 C ATOM 524 CG LYS A 34 11.872 11.338 -7.121 1.00 59.13 C ATOM 525 CD LYS A 34 10.685 10.536 -7.671 1.00 65.19 C ATOM 526 CE LYS A 34 9.362 10.981 -7.014 1.00 66.83 C ATOM 527 NZ LYS A 34 9.496 11.115 -5.519 1.00 64.76 N ATOM 528 HA LYS A 34 13.767 10.671 -5.304 1.00 0.00 H ATOM 529 HB2 LYS A 34 13.620 11.051 -8.310 1.00 0.00 H ATOM 530 HB3 LYS A 34 13.043 9.590 -7.476 1.00 0.00 H ATOM 531 HG2 LYS A 34 11.743 11.458 -6.045 1.00 0.00 H ATOM 532 HG3 LYS A 34 11.880 12.319 -7.596 1.00 0.00 H ATOM 533 HD2 LYS A 34 10.618 10.692 -8.748 1.00 0.00 H ATOM 534 HD3 LYS A 34 10.845 9.477 -7.467 1.00 0.00 H ATOM 535 HE2 LYS A 34 8.592 10.242 -7.235 1.00 0.00 H ATOM 536 HE3 LYS A 34 9.068 11.945 -7.430 1.00 0.00 H ATOM 537 HZ1 LYS A 34 9.770 10.198 -5.113 1.00 0.00 H ATOM 538 HZ2 LYS A 34 10.225 11.824 -5.300 1.00 0.00 H ATOM 539 HZ3 LYS A 34 8.586 11.416 -5.116 1.00 0.00 H ATOM 540 H LYS A 34 14.416 12.933 -6.966 1.00 0.00 H ATOM 541 N MET A 35 16.421 10.419 -7.188 1.00 54.84 N ATOM 542 CA MET A 35 17.643 9.667 -7.411 1.00 56.26 C ATOM 543 C MET A 35 18.418 9.591 -6.103 1.00 53.71 C ATOM 544 O MET A 35 18.889 8.521 -5.708 1.00 54.01 O ATOM 545 CB MET A 35 18.480 10.372 -8.456 1.00 57.66 C ATOM 546 CG MET A 35 19.528 9.530 -9.139 1.00 61.22 C ATOM 547 SD MET A 35 20.030 10.444 -10.616 1.00 68.54 S ATOM 548 CE MET A 35 18.847 9.882 -11.859 1.00 71.66 C ATOM 549 HA MET A 35 17.405 8.661 -7.758 1.00 0.00 H ATOM 550 HB2 MET A 35 17.806 10.753 -9.223 1.00 0.00 H ATOM 551 HB3 MET A 35 18.986 11.207 -7.971 1.00 0.00 H ATOM 552 HG2 MET A 35 19.112 8.562 -9.417 1.00 0.00 H ATOM 553 HG3 MET A 35 20.382 9.381 -8.479 1.00 0.00 H ATOM 554 HE1 MET A 35 18.936 8.803 -11.982 1.00 0.00 H ATOM 555 HE2 MET A 35 17.836 10.130 -11.535 1.00 0.00 H ATOM 556 HE3 MET A 35 19.057 10.376 -12.808 1.00 0.00 H ATOM 557 H MET A 35 16.325 11.357 -7.626 1.00 0.00 H ATOM 558 N ALA A 36 18.535 10.726 -5.425 1.00 52.11 N ATOM 559 CA ALA A 36 19.215 10.759 -4.152 1.00 50.73 C ATOM 560 C ALA A 36 18.536 9.822 -3.144 1.00 51.13 C ATOM 561 O ALA A 36 19.211 9.038 -2.491 1.00 50.62 O ATOM 562 CB ALA A 36 19.282 12.165 -3.624 1.00 48.81 C ATOM 563 HA ALA A 36 20.235 10.405 -4.300 1.00 0.00 H ATOM 564 HB1 ALA A 36 19.825 12.792 -4.331 1.00 0.00 H ATOM 565 HB2 ALA A 36 18.271 12.552 -3.495 1.00 0.00 H ATOM 566 HB3 ALA A 36 19.798 12.167 -2.664 1.00 0.00 H ATOM 567 H ALA A 36 18.132 11.602 -5.815 1.00 0.00 H ATOM 568 N ALA A 37 17.209 9.884 -3.047 1.00 53.54 N ATOM 569 CA ALA A 37 16.440 9.172 -2.012 1.00 54.86 C ATOM 570 C ALA A 37 16.495 7.653 -2.178 1.00 57.39 C ATOM 571 O ALA A 37 16.428 6.898 -1.194 1.00 57.42 O ATOM 572 CB ALA A 37 14.981 9.660 -2.001 1.00 55.89 C ATOM 573 HA ALA A 37 16.905 9.402 -1.053 1.00 0.00 H ATOM 574 HB1 ALA A 37 14.958 10.729 -1.790 1.00 0.00 H ATOM 575 HB2 ALA A 37 14.529 9.471 -2.975 1.00 0.00 H ATOM 576 HB3 ALA A 37 14.426 9.124 -1.231 1.00 0.00 H ATOM 577 H ALA A 37 16.690 10.464 -3.737 1.00 0.00 H ATOM 578 N MET A 38 16.653 7.227 -3.426 1.00 60.54 N ATOM 579 CA MET A 38 16.556 5.829 -3.832 1.00 64.00 C ATOM 580 C MET A 38 17.904 5.108 -3.728 1.00 63.69 C ATOM 581 O MET A 38 17.985 4.004 -3.172 1.00 63.99 O ATOM 582 CB MET A 38 16.061 5.780 -5.274 1.00 67.26 C ATOM 583 CG MET A 38 15.315 4.541 -5.683 1.00 72.22 C ATOM 584 SD MET A 38 15.192 4.502 -7.486 1.00 79.82 S ATOM 585 CE MET A 38 16.906 4.137 -7.935 1.00 79.19 C ATOM 586 HA MET A 38 15.862 5.320 -3.163 1.00 0.00 H ATOM 587 HB2 MET A 38 15.398 6.632 -5.427 1.00 0.00 H ATOM 588 HB3 MET A 38 16.929 5.875 -5.926 1.00 0.00 H ATOM 589 HG2 MET A 38 14.316 4.554 -5.248 1.00 0.00 H ATOM 590 HG3 MET A 38 15.851 3.658 -5.333 1.00 0.00 H ATOM 591 HE1 MET A 38 17.555 4.927 -7.558 1.00 0.00 H ATOM 592 HE2 MET A 38 17.200 3.184 -7.496 1.00 0.00 H ATOM 593 HE3 MET A 38 16.992 4.081 -9.020 1.00 0.00 H ATOM 594 H MET A 38 16.859 7.934 -4.160 1.00 0.00 H ATOM 595 N ALA A 39 18.944 5.731 -4.292 1.00 63.45 N ATOM 596 CA ALA A 39 20.319 5.229 -4.220 1.00 62.86 C ATOM 597 C ALA A 39 20.864 5.551 -2.843 1.00 59.49 C ATOM 598 O ALA A 39 21.197 6.695 -2.563 1.00 58.01 O ATOM 599 CB ALA A 39 21.200 5.859 -5.318 1.00 63.45 C ATOM 600 HA ALA A 39 20.327 4.152 -4.385 1.00 0.00 H ATOM 601 HB1 ALA A 39 20.790 5.612 -6.297 1.00 0.00 H ATOM 602 HB2 ALA A 39 21.217 6.942 -5.192 1.00 0.00 H ATOM 603 HB3 ALA A 39 22.214 5.467 -5.238 1.00 0.00 H ATOM 604 H ALA A 39 18.768 6.617 -4.808 1.00 0.00 H ATOM 605 N LYS A 40 20.940 4.529 -1.994 1.00 59.03 N ATOM 606 CA LYS A 40 21.236 4.698 -0.580 1.00 56.38 C ATOM 607 C LYS A 40 22.702 4.363 -0.232 1.00 54.88 C ATOM 608 O LYS A 40 23.078 3.202 -0.081 1.00 55.93 O ATOM 609 CB LYS A 40 20.256 3.878 0.241 1.00 57.36 C ATOM 610 CG LYS A 40 18.826 4.390 0.139 1.00 57.92 C ATOM 611 CD LYS A 40 17.863 3.341 0.642 1.00 59.97 C ATOM 612 CE LYS A 40 16.509 3.494 -0.030 1.00 62.31 C ATOM 613 NZ LYS A 40 15.961 2.161 -0.433 1.00 65.24 N ATOM 614 HA LYS A 40 21.114 5.752 -0.331 1.00 0.00 H ATOM 615 HB2 LYS A 40 20.283 2.847 -0.112 1.00 0.00 H ATOM 616 HB3 LYS A 40 20.564 3.911 1.286 1.00 0.00 H ATOM 617 HG2 LYS A 40 18.722 5.293 0.740 1.00 0.00 H ATOM 618 HG3 LYS A 40 18.598 4.620 -0.902 1.00 0.00 H ATOM 619 HD2 LYS A 40 18.263 2.351 0.422 1.00 0.00 H ATOM 620 HD3 LYS A 40 17.743 3.451 1.720 1.00 0.00 H ATOM 621 HE2 LYS A 40 16.618 4.118 -0.917 1.00 0.00 H ATOM 622 HE3 LYS A 40 15.817 3.970 0.665 1.00 0.00 H ATOM 623 HZ1 LYS A 40 16.617 1.705 -1.099 1.00 0.00 H ATOM 624 HZ2 LYS A 40 15.851 1.563 0.411 1.00 0.00 H ATOM 625 HZ3 LYS A 40 15.036 2.292 -0.890 1.00 0.00 H ATOM 626 H LYS A 40 20.781 3.568 -2.357 1.00 0.00 H ATOM 627 N PRO A 41 23.529 5.401 -0.104 1.00 52.63 N ATOM 628 CA PRO A 41 24.987 5.280 -0.102 1.00 51.34 C ATOM 629 C PRO A 41 25.735 4.495 0.969 1.00 49.67 C ATOM 630 O PRO A 41 25.160 3.849 1.895 1.00 48.44 O ATOM 631 CB PRO A 41 25.426 6.730 -0.041 1.00 50.01 C ATOM 632 CG PRO A 41 24.390 7.408 -0.933 1.00 51.96 C ATOM 633 CD PRO A 41 23.126 6.799 -0.349 1.00 52.34 C ATOM 634 HA PRO A 41 25.240 4.668 -0.968 1.00 0.00 H ATOM 635 HD3 PRO A 41 22.841 7.296 0.579 1.00 0.00 H ATOM 636 HD2 PRO A 41 22.299 6.853 -1.057 1.00 0.00 H ATOM 637 HG3 PRO A 41 24.522 7.146 -1.983 1.00 0.00 H ATOM 638 HG2 PRO A 41 24.407 8.493 -0.826 1.00 0.00 H ATOM 639 HB2 PRO A 41 25.385 7.115 0.978 1.00 0.00 H ATOM 640 HB3 PRO A 41 26.434 6.857 -0.436 1.00 0.00 H ATOM 641 N ASP A 42 27.043 4.516 0.757 1.00 48.05 N ATOM 642 CA ASP A 42 27.961 4.303 1.821 1.00 46.06 C ATOM 643 C ASP A 42 28.710 5.625 2.069 1.00 44.28 C ATOM 644 O ASP A 42 28.799 6.497 1.182 1.00 42.79 O ATOM 645 CB ASP A 42 28.785 2.989 1.649 1.00 48.01 C ATOM 646 CG ASP A 42 29.857 3.052 0.567 1.00 51.15 C ATOM 647 OD1 ASP A 42 30.946 3.579 0.863 1.00 52.00 O ATOM 648 OD2 ASP A 42 29.665 2.509 -0.552 1.00 54.47 O ATOM 649 HA ASP A 42 27.463 4.078 2.764 1.00 0.00 H ATOM 650 HB2 ASP A 42 29.272 2.765 2.598 1.00 0.00 H ATOM 651 HB3 ASP A 42 28.094 2.184 1.398 1.00 0.00 H ATOM 652 H ASP A 42 27.403 4.691 -0.203 1.00 0.00 H ATOM 653 N CYS A 43 29.129 5.833 3.313 1.00 42.28 N ATOM 654 CA CYS A 43 29.842 7.058 3.678 1.00 40.51 C ATOM 655 C CYS A 43 31.103 6.578 4.348 1.00 40.07 C ATOM 656 O CYS A 43 31.045 5.879 5.366 1.00 39.87 O ATOM 657 CB CYS A 43 28.992 7.950 4.594 1.00 39.58 C ATOM 658 SG CYS A 43 29.827 9.473 5.173 1.00 38.62 S ATOM 659 HA CYS A 43 30.064 7.685 2.814 1.00 0.00 H ATOM 660 HB2 CYS A 43 28.708 7.365 5.469 1.00 0.00 H ATOM 661 HB3 CYS A 43 28.095 8.242 4.047 1.00 0.00 H ATOM 662 HG CYS A 43 28.968 10.187 5.983 1.00 0.00 H ATOM 663 H CYS A 43 28.947 5.112 4.040 1.00 0.00 H ATOM 664 N ILE A 44 32.244 6.862 3.724 1.00 36.27 N ATOM 665 CA ILE A 44 33.529 6.450 4.293 1.00 36.43 C ATOM 666 C ILE A 44 34.154 7.689 4.878 1.00 34.49 C ATOM 667 O ILE A 44 34.273 8.708 4.204 1.00 33.07 O ATOM 668 CB ILE A 44 34.523 5.853 3.278 1.00 38.18 C ATOM 669 CG1 ILE A 44 33.936 4.644 2.557 1.00 42.67 C ATOM 670 CG2 ILE A 44 35.799 5.415 3.985 1.00 40.47 C ATOM 671 CD1 ILE A 44 32.961 5.055 1.528 1.00 44.78 C ATOM 672 HA ILE A 44 33.328 5.661 5.018 1.00 0.00 H ATOM 673 HB ILE A 44 34.739 6.632 2.547 1.00 0.00 H ATOM 674 HG12 ILE A 44 34.743 4.088 2.080 1.00 0.00 H ATOM 675 HG13 ILE A 44 33.437 4.004 3.285 1.00 0.00 H ATOM 676 HD11 ILE A 44 32.148 5.607 2.000 1.00 0.00 H ATOM 677 HD12 ILE A 44 33.456 5.691 0.794 1.00 0.00 H ATOM 678 HD13 ILE A 44 32.562 4.170 1.033 1.00 0.00 H ATOM 679 HG21 ILE A 44 36.258 6.276 4.470 1.00 0.00 H ATOM 680 HG22 ILE A 44 35.557 4.661 4.734 1.00 0.00 H ATOM 681 HG23 ILE A 44 36.491 4.995 3.255 1.00 0.00 H ATOM 682 H ILE A 44 32.223 7.382 2.823 1.00 0.00 H ATOM 683 N ILE A 45 34.565 7.574 6.131 1.00 34.14 N ATOM 684 CA ILE A 45 35.134 8.680 6.859 1.00 32.75 C ATOM 685 C ILE A 45 36.484 8.206 7.354 1.00 34.94 C ATOM 686 O ILE A 45 36.633 7.056 7.827 1.00 35.16 O ATOM 687 CB ILE A 45 34.192 9.089 8.010 1.00 31.54 C ATOM 688 CG1 ILE A 45 32.874 9.586 7.439 1.00 28.71 C ATOM 689 CG2 ILE A 45 34.845 10.102 8.989 1.00 31.16 C ATOM 690 CD1 ILE A 45 31.788 9.879 8.504 1.00 27.62 C ATOM 691 HA ILE A 45 35.258 9.569 6.240 1.00 0.00 H ATOM 692 HB ILE A 45 33.989 8.207 8.617 1.00 0.00 H ATOM 693 HG12 ILE A 45 33.066 10.505 6.885 1.00 0.00 H ATOM 694 HG13 ILE A 45 32.489 8.827 6.758 1.00 0.00 H ATOM 695 HD11 ILE A 45 31.571 8.967 9.061 1.00 0.00 H ATOM 696 HD12 ILE A 45 32.150 10.647 9.188 1.00 0.00 H ATOM 697 HD13 ILE A 45 30.881 10.229 8.010 1.00 0.00 H ATOM 698 HG21 ILE A 45 35.737 9.656 9.430 1.00 0.00 H ATOM 699 HG22 ILE A 45 35.120 11.006 8.445 1.00 0.00 H ATOM 700 HG23 ILE A 45 34.135 10.353 9.777 1.00 0.00 H ATOM 701 H ILE A 45 34.474 6.654 6.607 1.00 0.00 H ATOM 702 N THR A 46 37.485 9.071 7.196 1.00 35.16 N ATOM 703 CA THR A 46 38.802 8.806 7.730 1.00 37.86 C ATOM 704 C THR A 46 39.190 10.001 8.583 1.00 37.28 C ATOM 705 O THR A 46 38.919 11.134 8.220 1.00 35.78 O ATOM 706 CB THR A 46 39.846 8.562 6.603 1.00 40.12 C ATOM 707 OG1 THR A 46 39.752 9.614 5.637 1.00 42.00 O ATOM 708 CG2 THR A 46 39.528 7.298 5.883 1.00 42.44 C ATOM 709 HA THR A 46 38.784 7.894 8.327 1.00 0.00 H ATOM 710 HB THR A 46 40.837 8.517 7.055 1.00 0.00 H ATOM 711 HG1 THR A 46 40.416 9.461 4.918 1.00 0.00 H ATOM 712 HG23 THR A 46 39.586 6.461 6.578 1.00 0.00 H ATOM 713 HG21 THR A 46 38.521 7.360 5.470 1.00 0.00 H ATOM 714 HG22 THR A 46 40.245 7.151 5.075 1.00 0.00 H ATOM 715 H THR A 46 37.315 9.956 6.677 1.00 0.00 H ATOM 716 N CYS A 47 39.816 9.735 9.722 1.00 38.84 N ATOM 717 CA CYS A 47 40.201 10.772 10.674 1.00 40.04 C ATOM 718 C CYS A 47 41.667 10.616 11.050 1.00 42.15 C ATOM 719 O CYS A 47 42.024 9.964 12.050 1.00 44.47 O ATOM 720 CB CYS A 47 39.306 10.724 11.915 1.00 39.03 C ATOM 721 SG CYS A 47 37.524 10.880 11.533 1.00 42.46 S ATOM 722 HA CYS A 47 40.068 11.747 10.206 1.00 0.00 H ATOM 723 HB2 CYS A 47 39.590 11.541 12.578 1.00 0.00 H ATOM 724 HB3 CYS A 47 39.469 9.773 12.422 1.00 0.00 H ATOM 725 HG CYS A 47 36.798 10.827 12.705 1.00 0.00 H ATOM 726 H CYS A 47 40.042 8.745 9.946 1.00 0.00 H ATOM 727 N ASP A 48 42.527 11.202 10.233 1.00 42.67 N ATOM 728 CA ASP A 48 43.946 11.237 10.520 1.00 45.08 C ATOM 729 C ASP A 48 44.262 12.508 11.305 1.00 44.13 C ATOM 730 O ASP A 48 44.465 13.572 10.715 1.00 42.73 O ATOM 731 CB ASP A 48 44.705 11.217 9.206 1.00 47.10 C ATOM 732 CG ASP A 48 46.068 10.601 9.331 1.00 53.17 C ATOM 733 OD1 ASP A 48 46.654 10.617 10.446 1.00 57.87 O ATOM 734 OD2 ASP A 48 46.565 10.104 8.295 1.00 59.82 O ATOM 735 HA ASP A 48 44.242 10.374 11.117 1.00 0.00 H ATOM 736 HB2 ASP A 48 44.129 10.644 8.479 1.00 0.00 H ATOM 737 HB3 ASP A 48 44.817 12.242 8.852 1.00 0.00 H ATOM 738 H ASP A 48 42.175 11.649 9.362 1.00 0.00 H ATOM 739 N GLY A 49 44.274 12.397 12.633 1.00 44.19 N ATOM 740 CA GLY A 49 44.378 13.565 13.521 1.00 43.58 C ATOM 741 C GLY A 49 43.248 14.549 13.241 1.00 40.94 C ATOM 742 O GLY A 49 42.072 14.165 13.201 1.00 40.03 O ATOM 743 HA3 GLY A 49 45.335 14.060 13.354 1.00 0.00 H ATOM 744 HA2 GLY A 49 44.318 13.234 14.558 1.00 0.00 H ATOM 745 H GLY A 49 44.207 11.450 13.057 1.00 0.00 H ATOM 746 N ASN A 50 43.658 15.801 13.001 1.00 40.66 N ATOM 747 CA ASN A 50 42.784 16.925 12.621 1.00 38.40 C ATOM 748 C ASN A 50 42.254 16.879 11.174 1.00 36.50 C ATOM 749 O ASN A 50 41.325 17.600 10.817 1.00 34.90 O ATOM 750 CB ASN A 50 43.496 18.271 12.893 1.00 39.18 C ATOM 751 CG ASN A 50 44.673 18.551 11.933 1.00 41.13 C ATOM 752 OD1 ASN A 50 45.624 17.766 11.826 1.00 42.48 O ATOM 753 ND2 ASN A 50 44.625 19.703 11.272 1.00 38.87 N ATOM 754 HA ASN A 50 41.899 16.828 13.250 1.00 0.00 H ATOM 755 HB2 ASN A 50 42.767 19.074 12.789 1.00 0.00 H ATOM 756 HB3 ASN A 50 43.878 18.259 13.914 1.00 0.00 H ATOM 757 HD22 ASN A 50 43.808 20.336 11.389 1.00 0.00 H ATOM 758 HD21 ASN A 50 45.404 19.972 10.638 1.00 0.00 H ATOM 759 H ASN A 50 44.676 15.996 13.090 1.00 0.00 H ATOM 760 N ASN A 51 42.839 16.007 10.363 1.00 36.70 N ATOM 761 CA ASN A 51 42.544 15.911 8.926 1.00 35.38 C ATOM 762 C ASN A 51 41.408 14.913 8.674 1.00 34.24 C ATOM 763 O ASN A 51 41.554 13.714 8.869 1.00 35.22 O ATOM 764 CB ASN A 51 43.810 15.528 8.149 1.00 36.13 C ATOM 765 CG ASN A 51 43.583 15.418 6.647 1.00 37.23 C ATOM 766 OD1 ASN A 51 42.677 16.036 6.078 1.00 38.22 O ATOM 767 ND2 ASN A 51 44.435 14.666 5.988 1.00 37.04 N ATOM 768 HA ASN A 51 42.212 16.886 8.568 1.00 0.00 H ATOM 769 HB2 ASN A 51 44.571 16.287 8.330 1.00 0.00 H ATOM 770 HB3 ASN A 51 44.165 14.565 8.517 1.00 0.00 H ATOM 771 HD22 ASN A 51 45.186 14.160 6.500 1.00 0.00 H ATOM 772 HD21 ASN A 51 44.359 14.577 4.955 1.00 0.00 H ATOM 773 H ASN A 51 43.544 15.357 10.765 1.00 0.00 H ATOM 774 N ILE A 52 40.276 15.429 8.226 1.00 33.12 N ATOM 775 CA ILE A 52 39.050 14.641 8.116 1.00 32.56 C ATOM 776 C ILE A 52 38.635 14.528 6.662 1.00 31.27 C ATOM 777 O ILE A 52 38.545 15.523 5.971 1.00 30.15 O ATOM 778 CB ILE A 52 37.920 15.286 9.008 1.00 31.67 C ATOM 779 CG1 ILE A 52 38.334 15.228 10.475 1.00 33.45 C ATOM 780 CG2 ILE A 52 36.583 14.615 8.818 1.00 32.75 C ATOM 781 CD1 ILE A 52 37.801 16.411 11.258 1.00 38.93 C ATOM 782 HA ILE A 52 39.225 13.630 8.484 1.00 0.00 H ATOM 783 HB ILE A 52 37.802 16.323 8.694 1.00 0.00 H ATOM 784 HG12 ILE A 52 37.946 14.310 10.915 1.00 0.00 H ATOM 785 HG13 ILE A 52 39.422 15.227 10.535 1.00 0.00 H ATOM 786 HD11 ILE A 52 38.190 17.334 10.829 1.00 0.00 H ATOM 787 HD12 ILE A 52 36.712 16.416 11.209 1.00 0.00 H ATOM 788 HD13 ILE A 52 38.119 16.330 12.297 1.00 0.00 H ATOM 789 HG21 ILE A 52 36.279 14.702 7.775 1.00 0.00 H ATOM 790 HG22 ILE A 52 36.665 13.562 9.087 1.00 0.00 H ATOM 791 HG23 ILE A 52 35.842 15.098 9.455 1.00 0.00 H ATOM 792 H ILE A 52 40.257 16.429 7.942 1.00 0.00 H ATOM 793 N THR A 53 38.412 13.298 6.203 1.00 30.84 N ATOM 794 CA THR A 53 37.964 13.053 4.835 1.00 30.48 C ATOM 795 C THR A 53 36.630 12.334 4.886 1.00 29.97 C ATOM 796 O THR A 53 36.489 11.351 5.602 1.00 29.55 O ATOM 797 CB THR A 53 38.979 12.211 4.034 1.00 31.96 C ATOM 798 OG1 THR A 53 40.226 12.908 3.997 1.00 33.69 O ATOM 799 CG2 THR A 53 38.502 12.003 2.612 1.00 33.17 C ATOM 800 HA THR A 53 37.868 14.012 4.327 1.00 0.00 H ATOM 801 HB THR A 53 39.088 11.240 4.517 1.00 0.00 H ATOM 802 HG1 THR A 53 40.555 13.042 4.921 1.00 0.00 H ATOM 803 HG23 THR A 53 37.550 11.472 2.623 1.00 0.00 H ATOM 804 HG21 THR A 53 38.373 12.971 2.128 1.00 0.00 H ATOM 805 HG22 THR A 53 39.240 11.417 2.065 1.00 0.00 H ATOM 806 H THR A 53 38.561 12.488 6.838 1.00 0.00 H ATOM 807 N VAL A 54 35.647 12.867 4.167 1.00 29.22 N ATOM 808 CA VAL A 54 34.314 12.266 4.101 1.00 30.26 C ATOM 809 C VAL A 54 34.046 11.971 2.642 1.00 31.82 C ATOM 810 O VAL A 54 34.010 12.879 1.820 1.00 31.07 O ATOM 811 CB VAL A 54 33.211 13.198 4.699 1.00 29.09 C ATOM 812 CG1 VAL A 54 31.827 12.549 4.597 1.00 28.35 C ATOM 813 CG2 VAL A 54 33.537 13.530 6.155 1.00 27.18 C ATOM 814 HA VAL A 54 34.283 11.357 4.702 1.00 0.00 H ATOM 815 HB VAL A 54 33.193 14.121 4.120 1.00 0.00 H ATOM 816 HG11 VAL A 54 31.593 12.358 3.550 1.00 0.00 H ATOM 817 HG12 VAL A 54 31.827 11.609 5.148 1.00 0.00 H ATOM 818 HG13 VAL A 54 31.080 13.220 5.021 1.00 0.00 H ATOM 819 HG21 VAL A 54 33.581 12.608 6.735 1.00 0.00 H ATOM 820 HG22 VAL A 54 34.500 14.038 6.204 1.00 0.00 H ATOM 821 HG23 VAL A 54 32.761 14.180 6.561 1.00 0.00 H ATOM 822 H VAL A 54 35.831 13.740 3.633 1.00 0.00 H ATOM 823 N LYS A 55 33.944 10.682 2.325 1.00 33.84 N ATOM 824 CA LYS A 55 33.656 10.231 0.975 1.00 35.45 C ATOM 825 C LYS A 55 32.256 9.620 0.963 1.00 36.08 C ATOM 826 O LYS A 55 31.979 8.641 1.666 1.00 36.33 O ATOM 827 CB LYS A 55 34.707 9.215 0.508 1.00 37.28 C ATOM 828 CG LYS A 55 34.468 8.645 -0.890 1.00 39.37 C ATOM 829 CD LYS A 55 35.605 7.753 -1.352 1.00 42.27 C ATOM 830 CE LYS A 55 35.494 7.532 -2.844 1.00 45.63 C ATOM 831 NZ LYS A 55 36.512 6.603 -3.416 1.00 50.35 N ATOM 832 HA LYS A 55 33.693 11.073 0.283 1.00 0.00 H ATOM 833 HB2 LYS A 55 35.680 9.706 0.513 1.00 0.00 H ATOM 834 HB3 LYS A 55 34.716 8.386 1.216 1.00 0.00 H ATOM 835 HG2 LYS A 55 33.547 8.062 -0.878 1.00 0.00 H ATOM 836 HG3 LYS A 55 34.363 9.472 -1.593 1.00 0.00 H ATOM 837 HD2 LYS A 55 36.558 8.231 -1.124 1.00 0.00 H ATOM 838 HD3 LYS A 55 35.548 6.794 -0.837 1.00 0.00 H ATOM 839 HE2 LYS A 55 35.599 8.497 -3.339 1.00 0.00 H ATOM 840 HE3 LYS A 55 34.506 7.123 -3.054 1.00 0.00 H ATOM 841 HZ1 LYS A 55 37.464 6.982 -3.238 1.00 0.00 H ATOM 842 HZ2 LYS A 55 36.420 5.670 -2.966 1.00 0.00 H ATOM 843 HZ3 LYS A 55 36.359 6.512 -4.441 1.00 0.00 H ATOM 844 H LYS A 55 34.076 9.971 3.073 1.00 0.00 H ATOM 845 N THR A 56 31.364 10.191 0.164 1.00 36.55 N ATOM 846 CA THR A 56 30.038 9.600 0.040 1.00 37.69 C ATOM 847 C THR A 56 29.919 8.951 -1.340 1.00 38.27 C ATOM 848 O THR A 56 30.136 9.595 -2.365 1.00 38.74 O ATOM 849 CB THR A 56 28.902 10.607 0.371 1.00 38.07 C ATOM 850 OG1 THR A 56 29.212 11.317 1.593 1.00 39.22 O ATOM 851 CG2 THR A 56 27.606 9.860 0.596 1.00 39.11 C ATOM 852 HA THR A 56 29.912 8.819 0.790 1.00 0.00 H ATOM 853 HB THR A 56 28.807 11.303 -0.463 1.00 0.00 H ATOM 854 HG1 THR A 56 30.063 11.810 1.480 1.00 0.00 H ATOM 855 HG23 THR A 56 27.342 9.312 -0.309 1.00 0.00 H ATOM 856 HG21 THR A 56 27.730 9.161 1.423 1.00 0.00 H ATOM 857 HG22 THR A 56 26.815 10.571 0.835 1.00 0.00 H ATOM 858 H THR A 56 31.608 11.051 -0.368 1.00 0.00 H ATOM 859 N GLU A 57 29.631 7.654 -1.345 1.00 37.99 N ATOM 860 CA GLU A 57 29.691 6.838 -2.563 1.00 39.48 C ATOM 861 C GLU A 57 28.342 6.267 -2.943 1.00 39.76 C ATOM 862 O GLU A 57 27.673 5.659 -2.110 1.00 39.00 O ATOM 863 CB GLU A 57 30.551 5.612 -2.322 1.00 41.12 C ATOM 864 CG GLU A 57 31.889 5.825 -1.744 1.00 43.06 C ATOM 865 CD GLU A 57 32.733 4.596 -1.966 1.00 46.97 C ATOM 866 OE1 GLU A 57 32.185 3.465 -1.930 1.00 51.50 O ATOM 867 OE2 GLU A 57 33.935 4.750 -2.201 1.00 47.72 O ATOM 868 HA GLU A 57 30.075 7.500 -3.339 1.00 0.00 H ATOM 869 HB2 GLU A 57 30.003 4.956 -1.646 1.00 0.00 H ATOM 870 HB3 GLU A 57 30.685 5.113 -3.282 1.00 0.00 H ATOM 871 HG2 GLU A 57 32.361 6.682 -2.225 1.00 0.00 H ATOM 872 HG3 GLU A 57 31.797 6.015 -0.675 1.00 0.00 H ATOM 873 H GLU A 57 29.352 7.200 -0.452 1.00 0.00 H ATOM 874 N SER A 58 27.973 6.397 -4.206 1.00 40.96 N ATOM 875 CA SER A 58 26.765 5.777 -4.699 1.00 42.92 C ATOM 876 C SER A 58 26.996 5.342 -6.148 1.00 45.12 C ATOM 877 O SER A 58 28.036 5.659 -6.730 1.00 44.80 O ATOM 878 CB SER A 58 25.567 6.740 -4.529 1.00 42.49 C ATOM 879 OG SER A 58 25.463 7.667 -5.604 1.00 44.60 O ATOM 880 HA SER A 58 26.518 4.885 -4.123 1.00 0.00 H ATOM 881 HB2 SER A 58 25.691 7.294 -3.599 1.00 0.00 H ATOM 882 HB3 SER A 58 24.649 6.154 -4.481 1.00 0.00 H ATOM 883 HG SER A 58 26.289 8.210 -5.651 1.00 0.00 H ATOM 884 H SER A 58 28.563 6.955 -4.856 1.00 0.00 H ATOM 885 N THR A 59 26.040 4.617 -6.727 1.00 46.80 N ATOM 886 CA THR A 59 26.182 4.143 -8.091 1.00 50.21 C ATOM 887 C THR A 59 25.992 5.277 -9.097 1.00 51.66 C ATOM 888 O THR A 59 26.289 5.134 -10.294 1.00 53.52 O ATOM 889 CB THR A 59 25.135 3.075 -8.416 1.00 52.22 C ATOM 890 OG1 THR A 59 23.847 3.563 -8.025 1.00 51.11 O ATOM 891 CG2 THR A 59 25.435 1.780 -7.662 1.00 52.45 C ATOM 892 HA THR A 59 27.188 3.731 -8.168 1.00 0.00 H ATOM 893 HB THR A 59 25.156 2.866 -9.486 1.00 0.00 H ATOM 894 HG1 THR A 59 23.160 2.880 -8.230 1.00 0.00 H ATOM 895 HG23 THR A 59 26.415 1.407 -7.959 1.00 0.00 H ATOM 896 HG21 THR A 59 25.428 1.976 -6.590 1.00 0.00 H ATOM 897 HG22 THR A 59 24.674 1.037 -7.902 1.00 0.00 H ATOM 898 H THR A 59 25.178 4.387 -6.193 1.00 0.00 H ATOM 899 N VAL A 60 25.463 6.385 -8.606 1.00 50.74 N ATOM 900 CA VAL A 60 25.084 7.481 -9.478 1.00 53.39 C ATOM 901 C VAL A 60 26.030 8.684 -9.334 1.00 52.31 C ATOM 902 O VAL A 60 26.314 9.357 -10.312 1.00 54.47 O ATOM 903 CB VAL A 60 23.581 7.825 -9.302 1.00 53.70 C ATOM 904 CG1 VAL A 60 23.336 8.614 -8.036 1.00 49.90 C ATOM 905 CG2 VAL A 60 23.055 8.546 -10.525 1.00 57.05 C ATOM 906 HA VAL A 60 25.202 7.162 -10.514 1.00 0.00 H ATOM 907 HB VAL A 60 23.029 6.891 -9.201 1.00 0.00 H ATOM 908 HG11 VAL A 60 23.659 8.028 -7.176 1.00 0.00 H ATOM 909 HG12 VAL A 60 23.901 9.545 -8.075 1.00 0.00 H ATOM 910 HG13 VAL A 60 22.272 8.836 -7.948 1.00 0.00 H ATOM 911 HG21 VAL A 60 23.616 9.470 -10.670 1.00 0.00 H ATOM 912 HG22 VAL A 60 23.172 7.907 -11.400 1.00 0.00 H ATOM 913 HG23 VAL A 60 22.000 8.779 -10.382 1.00 0.00 H ATOM 914 H VAL A 60 25.316 6.472 -7.580 1.00 0.00 H ATOM 915 N LYS A 61 26.570 8.886 -8.136 1.00 50.39 N ATOM 916 CA LYS A 61 27.461 9.998 -7.836 1.00 49.81 C ATOM 917 C LYS A 61 28.355 9.673 -6.625 1.00 47.32 C ATOM 918 O LYS A 61 27.878 9.082 -5.653 1.00 47.02 O ATOM 919 CB LYS A 61 26.615 11.241 -7.533 1.00 49.55 C ATOM 920 CG LYS A 61 27.408 12.525 -7.270 1.00 49.98 C ATOM 921 CD LYS A 61 26.998 13.603 -8.263 1.00 52.85 C ATOM 922 CE LYS A 61 27.702 14.930 -8.015 1.00 53.59 C ATOM 923 NZ LYS A 61 29.155 14.828 -8.227 1.00 54.81 N ATOM 924 HA LYS A 61 28.105 10.180 -8.696 1.00 0.00 H ATOM 925 HB2 LYS A 61 25.960 11.418 -8.386 1.00 0.00 H ATOM 926 HB3 LYS A 61 26.012 11.031 -6.650 1.00 0.00 H ATOM 927 HG2 LYS A 61 27.207 12.872 -6.256 1.00 0.00 H ATOM 928 HG3 LYS A 61 28.473 12.320 -7.378 1.00 0.00 H ATOM 929 HD2 LYS A 61 27.242 13.261 -9.269 1.00 0.00 H ATOM 930 HD3 LYS A 61 25.922 13.759 -8.184 1.00 0.00 H ATOM 931 HE2 LYS A 61 27.516 15.241 -6.987 1.00 0.00 H ATOM 932 HE3 LYS A 61 27.297 15.677 -8.698 1.00 0.00 H ATOM 933 HZ1 LYS A 61 29.551 14.122 -7.574 1.00 0.00 H ATOM 934 HZ2 LYS A 61 29.341 14.538 -9.208 1.00 0.00 H ATOM 935 HZ3 LYS A 61 29.596 15.753 -8.048 1.00 0.00 H ATOM 936 H LYS A 61 26.344 8.215 -7.374 1.00 0.00 H ATOM 937 N THR A 62 29.634 10.048 -6.680 1.00 46.40 N ATOM 938 CA THR A 62 30.536 9.959 -5.505 1.00 44.49 C ATOM 939 C THR A 62 31.165 11.329 -5.215 1.00 43.39 C ATOM 940 O THR A 62 31.728 11.945 -6.109 1.00 44.97 O ATOM 941 CB THR A 62 31.639 8.858 -5.683 1.00 45.65 C ATOM 942 OG1 THR A 62 31.036 7.548 -5.610 1.00 47.26 O ATOM 943 CG2 THR A 62 32.716 8.961 -4.616 1.00 42.56 C ATOM 944 HA THR A 62 29.932 9.659 -4.648 1.00 0.00 H ATOM 945 HB THR A 62 32.102 9.013 -6.657 1.00 0.00 H ATOM 946 HG1 THR A 62 31.736 6.857 -5.723 1.00 0.00 H ATOM 947 HG23 THR A 62 33.178 9.947 -4.662 1.00 0.00 H ATOM 948 HG21 THR A 62 32.267 8.814 -3.633 1.00 0.00 H ATOM 949 HG22 THR A 62 33.472 8.195 -4.790 1.00 0.00 H ATOM 950 H THR A 62 30.012 10.415 -7.577 1.00 0.00 H ATOM 951 N THR A 63 31.046 11.811 -3.980 1.00 41.41 N ATOM 952 CA THR A 63 31.673 13.087 -3.589 1.00 40.88 C ATOM 953 C THR A 63 32.653 12.830 -2.442 1.00 39.21 C ATOM 954 O THR A 63 32.440 11.923 -1.628 1.00 38.83 O ATOM 955 CB THR A 63 30.632 14.136 -3.097 1.00 39.63 C ATOM 956 OG1 THR A 63 30.025 13.667 -1.893 1.00 41.11 O ATOM 957 CG2 THR A 63 29.554 14.334 -4.079 1.00 40.99 C ATOM 958 HA THR A 63 32.173 13.484 -4.472 1.00 0.00 H ATOM 959 HB THR A 63 31.162 15.076 -2.945 1.00 0.00 H ATOM 960 HG1 THR A 63 30.722 13.540 -1.201 1.00 0.00 H ATOM 961 HG23 THR A 63 29.979 14.693 -5.016 1.00 0.00 H ATOM 962 HG21 THR A 63 29.042 13.387 -4.251 1.00 0.00 H ATOM 963 HG22 THR A 63 28.845 15.068 -3.695 1.00 0.00 H ATOM 964 H THR A 63 30.499 11.276 -3.276 1.00 0.00 H ATOM 965 N VAL A 64 33.711 13.627 -2.380 1.00 38.23 N ATOM 966 CA VAL A 64 34.676 13.574 -1.278 1.00 36.85 C ATOM 967 C VAL A 64 35.138 14.978 -0.926 1.00 35.88 C ATOM 968 O VAL A 64 35.411 15.785 -1.819 1.00 37.20 O ATOM 969 CB VAL A 64 35.903 12.662 -1.618 1.00 38.63 C ATOM 970 CG1 VAL A 64 36.256 12.759 -3.082 1.00 41.43 C ATOM 971 CG2 VAL A 64 37.134 12.955 -0.703 1.00 37.16 C ATOM 972 HA VAL A 64 34.175 13.133 -0.417 1.00 0.00 H ATOM 973 HB VAL A 64 35.608 11.633 -1.412 1.00 0.00 H ATOM 974 HG11 VAL A 64 35.404 12.439 -3.682 1.00 0.00 H ATOM 975 HG12 VAL A 64 36.507 13.791 -3.326 1.00 0.00 H ATOM 976 HG13 VAL A 64 37.111 12.116 -3.292 1.00 0.00 H ATOM 977 HG21 VAL A 64 37.440 13.993 -0.830 1.00 0.00 H ATOM 978 HG22 VAL A 64 36.861 12.780 0.338 1.00 0.00 H ATOM 979 HG23 VAL A 64 37.957 12.296 -0.981 1.00 0.00 H ATOM 980 H VAL A 64 33.862 14.317 -3.143 1.00 0.00 H ATOM 981 N PHE A 65 35.211 15.279 0.366 1.00 33.44 N ATOM 982 CA PHE A 65 35.960 16.453 0.789 1.00 33.00 C ATOM 983 C PHE A 65 36.998 16.013 1.803 1.00 32.62 C ATOM 984 O PHE A 65 36.790 15.016 2.507 1.00 31.54 O ATOM 985 CB PHE A 65 35.046 17.602 1.287 1.00 31.50 C ATOM 986 CG PHE A 65 34.285 17.299 2.563 1.00 30.67 C ATOM 987 CD1 PHE A 65 34.867 17.508 3.801 1.00 28.34 C ATOM 988 CD2 PHE A 65 32.958 16.855 2.514 1.00 31.38 C ATOM 989 CE1 PHE A 65 34.147 17.266 4.991 1.00 28.90 C ATOM 990 CE2 PHE A 65 32.221 16.591 3.684 1.00 28.79 C ATOM 991 CZ PHE A 65 32.817 16.795 4.936 1.00 27.44 C ATOM 992 HA PHE A 65 36.474 16.889 -0.068 1.00 0.00 H ATOM 993 HB2 PHE A 65 35.668 18.479 1.463 1.00 0.00 H ATOM 994 HB3 PHE A 65 34.321 17.823 0.504 1.00 0.00 H ATOM 995 HD2 PHE A 65 32.483 16.710 1.544 1.00 0.00 H ATOM 996 HE2 PHE A 65 31.194 16.231 3.617 1.00 0.00 H ATOM 997 HZ PHE A 65 32.263 16.593 5.853 1.00 0.00 H ATOM 998 HE1 PHE A 65 34.620 17.444 5.957 1.00 0.00 H ATOM 999 HD1 PHE A 65 35.896 17.864 3.858 1.00 0.00 H ATOM 1000 H PHE A 65 34.736 14.679 1.071 1.00 0.00 H ATOM 1001 N SER A 66 38.124 16.724 1.842 1.00 32.04 N ATOM 1002 CA SER A 66 39.134 16.492 2.841 1.00 32.09 C ATOM 1003 C SER A 66 39.501 17.838 3.478 1.00 32.37 C ATOM 1004 O SER A 66 39.863 18.772 2.771 1.00 33.54 O ATOM 1005 CB SER A 66 40.349 15.836 2.188 1.00 34.12 C ATOM 1006 OG SER A 66 41.364 15.569 3.132 1.00 35.51 O ATOM 1007 HA SER A 66 38.767 15.821 3.618 1.00 0.00 H ATOM 1008 HB2 SER A 66 40.744 16.504 1.423 1.00 0.00 H ATOM 1009 HB3 SER A 66 40.040 14.899 1.726 1.00 0.00 H ATOM 1010 HG SER A 66 41.014 14.958 3.828 1.00 0.00 H ATOM 1011 H SER A 66 38.278 17.467 1.131 1.00 0.00 H ATOM 1012 N CYS A 67 39.401 17.951 4.802 1.00 30.64 N ATOM 1013 CA CYS A 67 39.569 19.255 5.429 1.00 30.43 C ATOM 1014 C CYS A 67 40.440 19.130 6.657 1.00 30.52 C ATOM 1015 O CYS A 67 40.711 18.014 7.092 1.00 31.39 O ATOM 1016 CB CYS A 67 38.210 19.858 5.802 1.00 28.41 C ATOM 1017 SG CYS A 67 37.354 18.937 7.093 1.00 29.32 S ATOM 1018 HA CYS A 67 40.054 19.921 4.716 1.00 0.00 H ATOM 1019 HB2 CYS A 67 37.581 19.873 4.912 1.00 0.00 H ATOM 1020 HB3 CYS A 67 38.368 20.879 6.151 1.00 0.00 H ATOM 1021 HG CYS A 67 36.146 19.545 7.366 1.00 0.00 H ATOM 1022 H CYS A 67 39.204 17.112 5.385 1.00 0.00 H ATOM 1023 N ASN A 68 40.893 20.269 7.194 1.00 29.58 N ATOM 1024 CA ASN A 68 41.406 20.303 8.547 1.00 29.12 C ATOM 1025 C ASN A 68 40.347 20.891 9.472 1.00 27.83 C ATOM 1026 O ASN A 68 39.730 21.910 9.149 1.00 25.71 O ATOM 1027 CB ASN A 68 42.713 21.101 8.632 1.00 30.49 C ATOM 1028 CG ASN A 68 43.814 20.527 7.727 1.00 32.80 C ATOM 1029 OD1 ASN A 68 43.869 19.326 7.494 1.00 34.15 O ATOM 1030 ND2 ASN A 68 44.675 21.392 7.209 1.00 33.25 N ATOM 1031 HA ASN A 68 41.633 19.284 8.861 1.00 0.00 H ATOM 1032 HB2 ASN A 68 42.515 22.130 8.332 1.00 0.00 H ATOM 1033 HB3 ASN A 68 43.065 21.086 9.663 1.00 0.00 H ATOM 1034 HD22 ASN A 68 44.593 22.404 7.432 1.00 0.00 H ATOM 1035 HD21 ASN A 68 45.432 21.058 6.579 1.00 0.00 H ATOM 1036 H ASN A 68 40.876 21.143 6.631 1.00 0.00 H ATOM 1037 N LEU A 69 40.140 20.246 10.624 1.00 27.27 N ATOM 1038 CA LEU A 69 39.193 20.749 11.611 1.00 26.65 C ATOM 1039 C LEU A 69 39.421 22.227 11.855 1.00 26.77 C ATOM 1040 O LEU A 69 40.560 22.660 12.065 1.00 27.37 O ATOM 1041 CB LEU A 69 39.295 19.940 12.915 1.00 27.06 C ATOM 1042 CG LEU A 69 38.059 19.884 13.804 1.00 28.42 C ATOM 1043 CD1 LEU A 69 36.956 19.018 13.212 1.00 28.50 C ATOM 1044 CD2 LEU A 69 38.440 19.369 15.214 1.00 31.40 C ATOM 1045 HA LEU A 69 38.181 20.627 11.224 1.00 0.00 H ATOM 1046 HB2 LEU A 69 39.551 18.915 12.645 1.00 0.00 H ATOM 1047 HB3 LEU A 69 40.103 20.371 13.505 1.00 0.00 H ATOM 1048 HG LEU A 69 37.668 20.899 13.877 1.00 0.00 H ATOM 1049 HD21 LEU A 69 38.867 18.370 15.131 1.00 0.00 H ATOM 1050 HD22 LEU A 69 39.172 20.043 15.660 1.00 0.00 H ATOM 1051 HD23 LEU A 69 37.548 19.334 15.840 1.00 0.00 H ATOM 1052 HD11 LEU A 69 36.657 19.423 12.245 1.00 0.00 H ATOM 1053 HD12 LEU A 69 37.325 18.000 13.083 1.00 0.00 H ATOM 1054 HD13 LEU A 69 36.099 19.013 13.885 1.00 0.00 H ATOM 1055 H LEU A 69 40.664 19.369 10.820 1.00 0.00 H ATOM 1056 N GLY A 70 38.341 23.009 11.768 1.00 26.56 N ATOM 1057 CA GLY A 70 38.362 24.422 12.144 1.00 26.73 C ATOM 1058 C GLY A 70 38.900 25.338 11.069 1.00 27.39 C ATOM 1059 O GLY A 70 38.937 26.543 11.256 1.00 27.34 O ATOM 1060 HA3 GLY A 70 38.986 24.531 13.031 1.00 0.00 H ATOM 1061 HA2 GLY A 70 37.343 24.730 12.378 1.00 0.00 H ATOM 1062 H GLY A 70 37.452 22.597 11.420 1.00 0.00 H ATOM 1063 N GLU A 71 39.321 24.779 9.932 1.00 26.30 N ATOM 1064 CA GLU A 71 39.818 25.615 8.843 1.00 28.45 C ATOM 1065 C GLU A 71 38.770 25.667 7.751 1.00 27.75 C ATOM 1066 O GLU A 71 38.337 24.617 7.245 1.00 26.10 O ATOM 1067 CB GLU A 71 41.140 25.108 8.235 1.00 29.56 C ATOM 1068 CG GLU A 71 42.342 25.229 9.119 1.00 34.46 C ATOM 1069 CD GLU A 71 43.623 24.677 8.473 1.00 39.87 C ATOM 1070 OE1 GLU A 71 43.679 24.517 7.230 1.00 42.87 O ATOM 1071 OE2 GLU A 71 44.578 24.398 9.225 1.00 42.81 O ATOM 1072 HA GLU A 71 40.016 26.601 9.263 1.00 0.00 H ATOM 1073 HB2 GLU A 71 41.012 24.055 7.983 1.00 0.00 H ATOM 1074 HB3 GLU A 71 41.332 25.677 7.326 1.00 0.00 H ATOM 1075 HG2 GLU A 71 42.497 26.282 9.352 1.00 0.00 H ATOM 1076 HG3 GLU A 71 42.152 24.678 10.040 1.00 0.00 H ATOM 1077 H GLU A 71 39.295 23.745 9.822 1.00 0.00 H ATOM 1078 N LYS A 72 38.396 26.882 7.360 1.00 28.07 N ATOM 1079 CA LYS A 72 37.383 27.042 6.341 1.00 28.67 C ATOM 1080 C LYS A 72 37.935 26.563 5.010 1.00 29.27 C ATOM 1081 O LYS A 72 39.115 26.788 4.718 1.00 29.98 O ATOM 1082 CB LYS A 72 36.970 28.497 6.219 1.00 30.63 C ATOM 1083 CG LYS A 72 35.700 28.701 5.365 1.00 32.06 C ATOM 1084 CD LYS A 72 35.102 30.094 5.575 1.00 38.61 C ATOM 1085 CE LYS A 72 36.015 31.189 4.994 1.00 43.65 C ATOM 1086 NZ LYS A 72 36.623 30.783 3.655 1.00 47.77 N ATOM 1087 HA LYS A 72 36.509 26.454 6.619 1.00 0.00 H ATOM 1088 HB2 LYS A 72 36.782 28.889 7.219 1.00 0.00 H ATOM 1089 HB3 LYS A 72 37.788 29.052 5.761 1.00 0.00 H ATOM 1090 HG2 LYS A 72 35.957 28.580 4.313 1.00 0.00 H ATOM 1091 HG3 LYS A 72 34.960 27.951 5.645 1.00 0.00 H ATOM 1092 HD2 LYS A 72 34.131 30.142 5.081 1.00 0.00 H ATOM 1093 HD3 LYS A 72 34.974 30.268 6.643 1.00 0.00 H ATOM 1094 HE2 LYS A 72 36.821 31.385 5.701 1.00 0.00 H ATOM 1095 HE3 LYS A 72 35.428 32.097 4.853 1.00 0.00 H ATOM 1096 HZ1 LYS A 72 37.191 29.921 3.781 1.00 0.00 H ATOM 1097 HZ2 LYS A 72 35.861 30.601 2.971 1.00 0.00 H ATOM 1098 HZ3 LYS A 72 37.229 31.551 3.304 1.00 0.00 H ATOM 1099 H LYS A 72 38.835 27.721 7.790 1.00 0.00 H ATOM 1100 N PHE A 73 37.079 25.910 4.222 1.00 28.95 N ATOM 1101 CA PHE A 73 37.448 25.364 2.923 1.00 29.96 C ATOM 1102 C PHE A 73 36.277 25.502 1.951 1.00 31.04 C ATOM 1103 O PHE A 73 35.122 25.662 2.378 1.00 30.61 O ATOM 1104 CB PHE A 73 37.919 23.881 3.032 1.00 29.45 C ATOM 1105 CG PHE A 73 36.827 22.888 3.426 1.00 27.82 C ATOM 1106 CD1 PHE A 73 36.494 22.681 4.765 1.00 29.07 C ATOM 1107 CD2 PHE A 73 36.185 22.121 2.460 1.00 28.56 C ATOM 1108 CE1 PHE A 73 35.501 21.765 5.136 1.00 25.31 C ATOM 1109 CE2 PHE A 73 35.194 21.206 2.808 1.00 27.44 C ATOM 1110 CZ PHE A 73 34.862 21.001 4.151 1.00 26.47 C ATOM 1111 HA PHE A 73 38.293 25.936 2.540 1.00 0.00 H ATOM 1112 HB2 PHE A 73 38.318 23.580 2.063 1.00 0.00 H ATOM 1113 HB3 PHE A 73 38.710 23.830 3.781 1.00 0.00 H ATOM 1114 HD2 PHE A 73 36.462 22.238 1.412 1.00 0.00 H ATOM 1115 HE2 PHE A 73 34.675 20.647 2.030 1.00 0.00 H ATOM 1116 HZ PHE A 73 34.116 20.256 4.428 1.00 0.00 H ATOM 1117 HE1 PHE A 73 35.227 21.648 6.185 1.00 0.00 H ATOM 1118 HD1 PHE A 73 37.017 23.244 5.538 1.00 0.00 H ATOM 1119 H PHE A 73 36.101 25.785 4.551 1.00 0.00 H ATOM 1120 N ASP A 74 36.588 25.438 0.654 1.00 31.34 N ATOM 1121 CA ASP A 74 35.576 25.545 -0.385 1.00 32.58 C ATOM 1122 C ASP A 74 35.092 24.137 -0.723 1.00 31.74 C ATOM 1123 O ASP A 74 35.899 23.225 -0.984 1.00 31.06 O ATOM 1124 CB ASP A 74 36.143 26.227 -1.638 1.00 34.93 C ATOM 1125 CG ASP A 74 36.397 27.731 -1.443 1.00 36.90 C ATOM 1126 OD1 ASP A 74 35.943 28.349 -0.458 1.00 39.28 O ATOM 1127 OD2 ASP A 74 37.053 28.315 -2.309 1.00 41.24 O ATOM 1128 HA ASP A 74 34.747 26.156 -0.027 1.00 0.00 H ATOM 1129 HB2 ASP A 74 37.086 25.746 -1.898 1.00 0.00 H ATOM 1130 HB3 ASP A 74 35.433 26.098 -2.455 1.00 0.00 H ATOM 1131 H ASP A 74 37.582 25.308 0.379 1.00 0.00 H ATOM 1132 N GLU A 75 33.778 23.938 -0.669 1.00 30.42 N ATOM 1133 CA GLU A 75 33.225 22.611 -0.936 1.00 29.42 C ATOM 1134 C GLU A 75 32.292 22.710 -2.146 1.00 30.76 C ATOM 1135 O GLU A 75 31.576 23.697 -2.292 1.00 31.71 O ATOM 1136 CB GLU A 75 32.481 22.108 0.307 1.00 27.40 C ATOM 1137 CG GLU A 75 31.845 20.730 0.176 1.00 26.38 C ATOM 1138 CD GLU A 75 30.951 20.333 1.380 1.00 26.26 C ATOM 1139 OE1 GLU A 75 30.793 21.114 2.365 1.00 26.90 O ATOM 1140 OE2 GLU A 75 30.402 19.206 1.354 1.00 26.83 O ATOM 1141 HA GLU A 75 34.018 21.898 -1.161 1.00 0.00 H ATOM 1142 HB2 GLU A 75 33.191 22.074 1.133 1.00 0.00 H ATOM 1143 HB3 GLU A 75 31.691 22.822 0.538 1.00 0.00 H ATOM 1144 HG2 GLU A 75 31.232 20.719 -0.725 1.00 0.00 H ATOM 1145 HG3 GLU A 75 32.641 19.992 0.081 1.00 0.00 H ATOM 1146 H GLU A 75 33.143 24.728 -0.436 1.00 0.00 H ATOM 1147 N THR A 76 32.353 21.721 -3.035 1.00 31.44 N ATOM 1148 CA THR A 76 31.339 21.536 -4.066 1.00 33.19 C ATOM 1149 C THR A 76 30.492 20.359 -3.614 1.00 32.56 C ATOM 1150 O THR A 76 30.998 19.243 -3.497 1.00 32.86 O ATOM 1151 CB THR A 76 31.952 21.280 -5.447 1.00 34.87 C ATOM 1152 OG1 THR A 76 32.821 22.377 -5.775 1.00 36.44 O ATOM 1153 CG2 THR A 76 30.850 21.181 -6.510 1.00 36.83 C ATOM 1154 HA THR A 76 30.742 22.441 -4.181 1.00 0.00 H ATOM 1155 HB THR A 76 32.508 20.343 -5.426 1.00 0.00 H ATOM 1156 HG1 THR A 76 33.538 22.444 -5.095 1.00 0.00 H ATOM 1157 HG23 THR A 76 30.187 20.351 -6.268 1.00 0.00 H ATOM 1158 HG21 THR A 76 30.280 22.110 -6.528 1.00 0.00 H ATOM 1159 HG22 THR A 76 31.303 21.012 -7.487 1.00 0.00 H ATOM 1160 H THR A 76 33.152 21.057 -2.993 1.00 0.00 H ATOM 1161 N THR A 77 29.213 20.604 -3.331 1.00 31.87 N ATOM 1162 CA THR A 77 28.373 19.560 -2.699 1.00 31.39 C ATOM 1163 C THR A 77 27.840 18.592 -3.750 1.00 32.35 C ATOM 1164 O THR A 77 27.907 18.855 -4.941 1.00 32.88 O ATOM 1165 CB THR A 77 27.166 20.153 -1.975 1.00 30.83 C ATOM 1166 OG1 THR A 77 26.339 20.797 -2.956 1.00 33.00 O ATOM 1167 CG2 THR A 77 27.603 21.140 -0.899 1.00 29.61 C ATOM 1168 HA THR A 77 29.014 19.048 -1.981 1.00 0.00 H ATOM 1169 HB THR A 77 26.607 19.364 -1.472 1.00 0.00 H ATOM 1170 HG1 THR A 77 25.547 21.191 -2.511 1.00 0.00 H ATOM 1171 HG23 THR A 77 28.228 20.626 -0.169 1.00 0.00 H ATOM 1172 HG21 THR A 77 28.170 21.950 -1.359 1.00 0.00 H ATOM 1173 HG22 THR A 77 26.722 21.548 -0.403 1.00 0.00 H ATOM 1174 H THR A 77 28.802 21.533 -3.555 1.00 0.00 H ATOM 1175 N ALA A 78 27.282 17.473 -3.316 1.00 32.61 N ATOM 1176 CA ALA A 78 26.768 16.478 -4.296 1.00 34.08 C ATOM 1177 C ALA A 78 25.701 17.047 -5.268 1.00 36.58 C ATOM 1178 O ALA A 78 25.618 16.649 -6.444 1.00 37.83 O ATOM 1179 CB ALA A 78 26.252 15.248 -3.566 1.00 33.99 C ATOM 1180 HA ALA A 78 27.610 16.198 -4.929 1.00 0.00 H ATOM 1181 HB1 ALA A 78 27.063 14.801 -2.992 1.00 0.00 H ATOM 1182 HB2 ALA A 78 25.446 15.538 -2.892 1.00 0.00 H ATOM 1183 HB3 ALA A 78 25.878 14.526 -4.292 1.00 0.00 H ATOM 1184 H ALA A 78 27.203 17.290 -2.295 1.00 0.00 H ATOM 1185 N ASP A 79 24.916 18.008 -4.791 1.00 36.65 N ATOM 1186 CA ASP A 79 23.917 18.662 -5.627 1.00 38.66 C ATOM 1187 C ASP A 79 24.481 19.844 -6.408 1.00 39.44 C ATOM 1188 O ASP A 79 23.786 20.461 -7.202 1.00 41.79 O ATOM 1189 CB ASP A 79 22.684 19.055 -4.792 1.00 39.50 C ATOM 1190 CG ASP A 79 23.031 19.893 -3.554 1.00 37.80 C ATOM 1191 OD1 ASP A 79 23.827 19.446 -2.691 1.00 36.78 O ATOM 1192 OD2 ASP A 79 22.474 21.005 -3.434 1.00 40.04 O ATOM 1193 HA ASP A 79 23.600 17.938 -6.378 1.00 0.00 H ATOM 1194 HB2 ASP A 79 22.008 19.633 -5.423 1.00 0.00 H ATOM 1195 HB3 ASP A 79 22.183 18.144 -4.464 1.00 0.00 H ATOM 1196 H ASP A 79 25.017 18.300 -3.798 1.00 0.00 H ATOM 1197 N GLY A 80 25.747 20.170 -6.206 1.00 37.63 N ATOM 1198 CA GLY A 80 26.362 21.173 -7.066 1.00 38.52 C ATOM 1199 C GLY A 80 26.498 22.562 -6.472 1.00 38.04 C ATOM 1200 O GLY A 80 26.983 23.458 -7.146 1.00 38.86 O ATOM 1201 HA3 GLY A 80 25.758 21.254 -7.970 1.00 0.00 H ATOM 1202 HA2 GLY A 80 27.360 20.822 -7.328 1.00 0.00 H ATOM 1203 H GLY A 80 26.294 19.718 -5.446 1.00 0.00 H ATOM 1204 N ARG A 81 26.093 22.741 -5.208 1.00 36.57 N ATOM 1205 CA ARG A 81 26.327 23.993 -4.497 1.00 36.56 C ATOM 1206 C ARG A 81 27.822 24.254 -4.291 1.00 35.48 C ATOM 1207 O ARG A 81 28.586 23.334 -4.035 1.00 34.13 O ATOM 1208 CB ARG A 81 25.612 24.008 -3.139 1.00 35.69 C ATOM 1209 CG ARG A 81 24.124 24.375 -3.219 1.00 38.34 C ATOM 1210 CD ARG A 81 23.434 24.020 -1.899 1.00 36.20 C ATOM 1211 NE ARG A 81 23.576 22.616 -1.556 1.00 35.63 N ATOM 1212 CZ ARG A 81 24.045 22.155 -0.403 1.00 33.09 C ATOM 1213 NH1 ARG A 81 24.429 22.993 0.563 1.00 31.60 N ATOM 1214 NH2 ARG A 81 24.126 20.846 -0.218 1.00 32.03 N ATOM 1215 HA ARG A 81 25.917 24.788 -5.120 1.00 0.00 H ATOM 1216 HB2 ARG A 81 25.697 23.016 -2.696 1.00 0.00 H ATOM 1217 HB3 ARG A 81 26.110 24.735 -2.497 1.00 0.00 H ATOM 1218 HG2 ARG A 81 24.024 25.444 -3.405 1.00 0.00 H ATOM 1219 HG3 ARG A 81 23.657 23.821 -4.033 1.00 0.00 H ATOM 1220 HD2 ARG A 81 22.373 24.253 -1.985 1.00 0.00 H ATOM 1221 HD3 ARG A 81 23.873 24.621 -1.102 1.00 0.00 H ATOM 1222 HE ARG A 81 23.288 21.917 -2.270 1.00 0.00 H ATOM 1223 HH12 ARG A 81 24.795 22.618 1.462 1.00 0.00 H ATOM 1224 HH11 ARG A 81 24.362 24.021 0.417 1.00 0.00 H ATOM 1225 HH22 ARG A 81 24.491 20.469 0.680 1.00 0.00 H ATOM 1226 HH21 ARG A 81 23.824 20.195 -0.971 1.00 0.00 H ATOM 1227 H ARG A 81 25.599 21.967 -4.720 1.00 0.00 H ATOM 1228 N LYS A 82 28.240 25.502 -4.413 1.00 36.02 N ATOM 1229 CA LYS A 82 29.625 25.839 -4.103 1.00 35.66 C ATOM 1230 C LYS A 82 29.616 26.583 -2.786 1.00 34.14 C ATOM 1231 O LYS A 82 29.238 27.740 -2.741 1.00 34.92 O ATOM 1232 CB LYS A 82 30.273 26.675 -5.214 1.00 37.87 C ATOM 1233 CG LYS A 82 30.218 26.016 -6.583 1.00 41.25 C ATOM 1234 CD LYS A 82 31.486 26.233 -7.385 1.00 46.78 C ATOM 1235 CE LYS A 82 32.544 25.164 -7.091 1.00 47.16 C ATOM 1236 NZ LYS A 82 32.399 23.955 -7.964 1.00 48.59 N ATOM 1237 HA LYS A 82 30.225 24.932 -4.029 1.00 0.00 H ATOM 1238 HB2 LYS A 82 29.756 27.633 -5.271 1.00 0.00 H ATOM 1239 HB3 LYS A 82 31.318 26.843 -4.954 1.00 0.00 H ATOM 1240 HG2 LYS A 82 30.068 24.945 -6.449 1.00 0.00 H ATOM 1241 HG3 LYS A 82 29.378 26.433 -7.138 1.00 0.00 H ATOM 1242 HD2 LYS A 82 31.240 26.202 -8.447 1.00 0.00 H ATOM 1243 HD3 LYS A 82 31.896 27.212 -7.136 1.00 0.00 H ATOM 1244 HE2 LYS A 82 32.450 24.856 -6.050 1.00 0.00 H ATOM 1245 HE3 LYS A 82 33.532 25.596 -7.253 1.00 0.00 H ATOM 1246 HZ1 LYS A 82 31.463 23.529 -7.811 1.00 0.00 H ATOM 1247 HZ2 LYS A 82 32.495 24.235 -8.961 1.00 0.00 H ATOM 1248 HZ3 LYS A 82 33.139 23.265 -7.724 1.00 0.00 H ATOM 1249 H LYS A 82 27.582 26.243 -4.730 1.00 0.00 H ATOM 1250 N THR A 83 30.000 25.906 -1.705 1.00 31.70 N ATOM 1251 CA THR A 83 29.869 26.504 -0.381 1.00 31.71 C ATOM 1252 C THR A 83 31.232 26.817 0.250 1.00 31.18 C ATOM 1253 O THR A 83 32.261 26.278 -0.193 1.00 30.05 O ATOM 1254 CB THR A 83 29.112 25.552 0.579 1.00 30.07 C ATOM 1255 OG1 THR A 83 29.932 24.414 0.875 1.00 29.07 O ATOM 1256 CG2 THR A 83 27.819 25.084 -0.038 1.00 30.59 C ATOM 1257 HA THR A 83 29.315 27.432 -0.520 1.00 0.00 H ATOM 1258 HB THR A 83 28.886 26.098 1.495 1.00 0.00 H ATOM 1259 HG1 THR A 83 30.771 24.716 1.305 1.00 0.00 H ATOM 1260 HG23 THR A 83 27.193 25.947 -0.264 1.00 0.00 H ATOM 1261 HG21 THR A 83 28.033 24.538 -0.957 1.00 0.00 H ATOM 1262 HG22 THR A 83 27.299 24.430 0.662 1.00 0.00 H ATOM 1263 H THR A 83 30.394 24.949 -1.805 1.00 0.00 H ATOM 1264 N GLU A 84 31.223 27.655 1.292 1.00 30.74 N ATOM 1265 CA GLU A 84 32.365 27.772 2.202 1.00 31.11 C ATOM 1266 C GLU A 84 31.986 27.007 3.451 1.00 29.61 C ATOM 1267 O GLU A 84 30.922 27.251 4.038 1.00 29.77 O ATOM 1268 CB GLU A 84 32.657 29.235 2.543 1.00 32.78 C ATOM 1269 CG GLU A 84 32.930 30.088 1.289 1.00 38.33 C ATOM 1270 CD GLU A 84 33.186 31.547 1.627 1.00 46.21 C ATOM 1271 OE1 GLU A 84 32.755 32.010 2.709 1.00 48.64 O ATOM 1272 OE2 GLU A 84 33.810 32.246 0.798 1.00 51.63 O ATOM 1273 HA GLU A 84 33.269 27.373 1.742 1.00 0.00 H ATOM 1274 HB2 GLU A 84 31.797 29.650 3.069 1.00 0.00 H ATOM 1275 HB3 GLU A 84 33.532 29.276 3.191 1.00 0.00 H ATOM 1276 HG2 GLU A 84 33.805 29.688 0.777 1.00 0.00 H ATOM 1277 HG3 GLU A 84 32.065 30.028 0.629 1.00 0.00 H ATOM 1278 H GLU A 84 30.381 28.241 1.461 1.00 0.00 H ATOM 1279 N THR A 85 32.834 26.056 3.832 1.00 28.32 N ATOM 1280 CA THR A 85 32.480 25.097 4.867 1.00 26.58 C ATOM 1281 C THR A 85 33.531 25.074 5.980 1.00 26.97 C ATOM 1282 O THR A 85 34.714 25.227 5.712 1.00 26.73 O ATOM 1283 CB THR A 85 32.303 23.675 4.236 1.00 26.53 C ATOM 1284 OG1 THR A 85 31.293 23.727 3.214 1.00 26.74 O ATOM 1285 CG2 THR A 85 31.908 22.631 5.283 1.00 23.01 C ATOM 1286 HA THR A 85 31.535 25.403 5.315 1.00 0.00 H ATOM 1287 HB THR A 85 33.262 23.378 3.810 1.00 0.00 H ATOM 1288 HG1 THR A 85 31.182 22.828 2.816 1.00 0.00 H ATOM 1289 HG23 THR A 85 32.672 22.590 6.059 1.00 0.00 H ATOM 1290 HG21 THR A 85 30.952 22.907 5.727 1.00 0.00 H ATOM 1291 HG22 THR A 85 31.820 21.655 4.806 1.00 0.00 H ATOM 1292 H THR A 85 33.769 25.997 3.381 1.00 0.00 H ATOM 1293 N VAL A 86 33.081 24.888 7.226 1.00 26.67 N ATOM 1294 CA VAL A 86 33.971 24.649 8.362 1.00 26.83 C ATOM 1295 C VAL A 86 33.450 23.425 9.118 1.00 25.69 C ATOM 1296 O VAL A 86 32.259 23.330 9.457 1.00 25.55 O ATOM 1297 CB VAL A 86 33.997 25.853 9.389 1.00 27.84 C ATOM 1298 CG1 VAL A 86 35.144 25.660 10.427 1.00 29.41 C ATOM 1299 CG2 VAL A 86 34.091 27.218 8.692 1.00 28.52 C ATOM 1300 HA VAL A 86 34.978 24.515 7.966 1.00 0.00 H ATOM 1301 HB VAL A 86 33.046 25.848 9.921 1.00 0.00 H ATOM 1302 HG11 VAL A 86 34.985 24.731 10.974 1.00 0.00 H ATOM 1303 HG12 VAL A 86 36.100 25.617 9.906 1.00 0.00 H ATOM 1304 HG13 VAL A 86 35.146 26.498 11.124 1.00 0.00 H ATOM 1305 HG21 VAL A 86 35.006 27.260 8.101 1.00 0.00 H ATOM 1306 HG22 VAL A 86 33.228 27.351 8.039 1.00 0.00 H ATOM 1307 HG23 VAL A 86 34.105 28.008 9.443 1.00 0.00 H ATOM 1308 H VAL A 86 32.055 24.914 7.394 1.00 0.00 H ATOM 1309 N CYS A 87 34.346 22.485 9.368 1.00 25.35 N ATOM 1310 CA CYS A 87 34.047 21.386 10.259 1.00 24.87 C ATOM 1311 C CYS A 87 34.628 21.673 11.641 1.00 25.70 C ATOM 1312 O CYS A 87 35.792 22.138 11.773 1.00 26.08 O ATOM 1313 CB CYS A 87 34.622 20.091 9.683 1.00 23.99 C ATOM 1314 SG CYS A 87 33.761 19.572 8.150 1.00 27.32 S ATOM 1315 HA CYS A 87 32.967 21.272 10.357 1.00 0.00 H ATOM 1316 HB2 CYS A 87 34.522 19.301 10.427 1.00 0.00 H ATOM 1317 HB3 CYS A 87 35.677 20.245 9.458 1.00 0.00 H ATOM 1318 HG CYS A 87 34.324 18.402 7.682 1.00 0.00 H ATOM 1319 H CYS A 87 35.281 22.537 8.916 1.00 0.00 H ATOM 1320 N THR A 88 33.808 21.422 12.664 1.00 25.52 N ATOM 1321 CA THR A 88 34.245 21.538 14.047 1.00 25.73 C ATOM 1322 C THR A 88 33.858 20.265 14.787 1.00 26.54 C ATOM 1323 O THR A 88 33.037 19.466 14.296 1.00 25.04 O ATOM 1324 CB THR A 88 33.636 22.768 14.746 1.00 26.16 C ATOM 1325 OG1 THR A 88 32.207 22.724 14.630 1.00 25.35 O ATOM 1326 CG2 THR A 88 34.150 24.038 14.091 1.00 25.46 C ATOM 1327 HA THR A 88 35.327 21.672 14.059 1.00 0.00 H ATOM 1328 HB THR A 88 33.922 22.760 15.798 1.00 0.00 H ATOM 1329 HG1 THR A 88 31.954 22.729 13.673 1.00 0.00 H ATOM 1330 HG23 THR A 88 35.236 24.076 14.177 1.00 0.00 H ATOM 1331 HG21 THR A 88 33.867 24.043 13.038 1.00 0.00 H ATOM 1332 HG22 THR A 88 33.715 24.904 14.589 1.00 0.00 H ATOM 1333 H THR A 88 32.828 21.135 12.467 1.00 0.00 H ATOM 1334 N PHE A 89 34.469 20.074 15.951 1.00 27.11 N ATOM 1335 CA PHE A 89 34.092 18.990 16.823 1.00 27.91 C ATOM 1336 C PHE A 89 33.575 19.522 18.143 1.00 29.05 C ATOM 1337 O PHE A 89 34.307 20.181 18.893 1.00 29.30 O ATOM 1338 CB PHE A 89 35.224 17.993 17.056 1.00 29.06 C ATOM 1339 CG PHE A 89 34.727 16.670 17.620 1.00 32.90 C ATOM 1340 CD1 PHE A 89 34.067 15.751 16.788 1.00 34.23 C ATOM 1341 CD2 PHE A 89 34.883 16.372 18.963 1.00 37.83 C ATOM 1342 CE1 PHE A 89 33.597 14.540 17.287 1.00 36.81 C ATOM 1343 CE2 PHE A 89 34.410 15.157 19.490 1.00 39.23 C ATOM 1344 CZ PHE A 89 33.771 14.247 18.648 1.00 38.19 C ATOM 1345 HA PHE A 89 33.294 18.447 16.317 1.00 0.00 H ATOM 1346 HB2 PHE A 89 35.724 17.803 16.106 1.00 0.00 H ATOM 1347 HB3 PHE A 89 35.935 18.428 17.759 1.00 0.00 H ATOM 1348 HD2 PHE A 89 35.378 17.087 19.620 1.00 0.00 H ATOM 1349 HE2 PHE A 89 34.542 14.928 20.548 1.00 0.00 H ATOM 1350 HZ PHE A 89 33.405 13.302 19.050 1.00 0.00 H ATOM 1351 HE1 PHE A 89 33.100 13.828 16.629 1.00 0.00 H ATOM 1352 HD1 PHE A 89 33.921 15.990 15.735 1.00 0.00 H ATOM 1353 H PHE A 89 35.233 20.718 16.238 1.00 0.00 H ATOM 1354 N GLN A 90 32.303 19.235 18.407 1.00 29.04 N ATOM 1355 CA GLN A 90 31.565 19.834 19.516 1.00 32.42 C ATOM 1356 C GLN A 90 30.676 18.789 20.192 1.00 33.21 C ATOM 1357 O GLN A 90 29.801 18.218 19.559 1.00 32.68 O ATOM 1358 CB GLN A 90 30.688 20.994 19.023 1.00 31.79 C ATOM 1359 CG GLN A 90 31.421 21.982 18.128 1.00 32.83 C ATOM 1360 CD GLN A 90 30.589 23.204 17.785 1.00 34.46 C ATOM 1361 OE1 GLN A 90 29.913 23.754 18.638 1.00 37.43 O ATOM 1362 NE2 GLN A 90 30.657 23.641 16.540 1.00 33.04 N ATOM 1363 HA GLN A 90 32.292 20.214 20.234 1.00 0.00 H ATOM 1364 HB2 GLN A 90 29.851 20.578 18.462 1.00 0.00 H ATOM 1365 HB3 GLN A 90 30.310 21.532 19.892 1.00 0.00 H ATOM 1366 HG2 GLN A 90 32.325 22.310 18.640 1.00 0.00 H ATOM 1367 HG3 GLN A 90 31.693 21.476 17.202 1.00 0.00 H ATOM 1368 HE22 GLN A 90 31.247 23.141 15.845 1.00 0.00 H ATOM 1369 HE21 GLN A 90 30.121 24.485 16.255 1.00 0.00 H ATOM 1370 H GLN A 90 31.811 18.553 17.795 1.00 0.00 H ATOM 1371 N ASP A 91 30.911 18.556 21.478 1.00 35.86 N ATOM 1372 CA ASP A 91 30.048 17.669 22.273 1.00 38.43 C ATOM 1373 C ASP A 91 29.848 16.317 21.609 1.00 36.94 C ATOM 1374 O ASP A 91 28.710 15.890 21.419 1.00 36.90 O ATOM 1375 CB ASP A 91 28.676 18.330 22.522 1.00 39.77 C ATOM 1376 CG ASP A 91 28.764 19.538 23.458 1.00 45.09 C ATOM 1377 OD1 ASP A 91 29.646 19.560 24.352 1.00 49.29 O ATOM 1378 OD2 ASP A 91 27.941 20.470 23.305 1.00 49.52 O ATOM 1379 HA ASP A 91 30.554 17.504 23.224 1.00 0.00 H ATOM 1380 HB2 ASP A 91 28.268 18.658 21.566 1.00 0.00 H ATOM 1381 HB3 ASP A 91 28.008 17.592 22.966 1.00 0.00 H ATOM 1382 H ASP A 91 31.726 19.012 21.935 1.00 0.00 H ATOM 1383 N GLY A 92 30.953 15.681 21.211 1.00 35.44 N ATOM 1384 CA GLY A 92 30.893 14.361 20.601 1.00 34.45 C ATOM 1385 C GLY A 92 30.488 14.302 19.133 1.00 32.13 C ATOM 1386 O GLY A 92 30.443 13.204 18.545 1.00 32.02 O ATOM 1387 HA3 GLY A 92 30.174 13.768 21.166 1.00 0.00 H ATOM 1388 HA2 GLY A 92 31.882 13.911 20.689 1.00 0.00 H ATOM 1389 H GLY A 92 31.877 16.140 21.340 1.00 0.00 H ATOM 1390 N ALA A 93 30.239 15.457 18.520 1.00 30.55 N ATOM 1391 CA ALA A 93 29.782 15.496 17.118 1.00 29.23 C ATOM 1392 C ALA A 93 30.719 16.236 16.185 1.00 28.51 C ATOM 1393 O ALA A 93 31.244 17.315 16.521 1.00 28.76 O ATOM 1394 CB ALA A 93 28.382 16.103 17.034 1.00 28.40 C ATOM 1395 HA ALA A 93 29.767 14.460 16.781 1.00 0.00 H ATOM 1396 HB1 ALA A 93 27.689 15.497 17.618 1.00 0.00 H ATOM 1397 HB2 ALA A 93 28.403 17.118 17.431 1.00 0.00 H ATOM 1398 HB3 ALA A 93 28.059 16.125 15.993 1.00 0.00 H ATOM 1399 H ALA A 93 30.369 16.349 19.039 1.00 0.00 H ATOM 1400 N LEU A 94 30.906 15.666 14.993 1.00 27.94 N ATOM 1401 CA LEU A 94 31.519 16.371 13.888 1.00 26.43 C ATOM 1402 C LEU A 94 30.449 17.290 13.316 1.00 26.15 C ATOM 1403 O LEU A 94 29.373 16.837 12.947 1.00 25.72 O ATOM 1404 CB LEU A 94 31.989 15.383 12.818 1.00 26.92 C ATOM 1405 CG LEU A 94 32.610 16.077 11.590 1.00 24.94 C ATOM 1406 CD1 LEU A 94 33.922 16.713 12.012 1.00 23.71 C ATOM 1407 CD2 LEU A 94 32.839 15.074 10.454 1.00 24.26 C ATOM 1408 HA LEU A 94 32.391 16.934 14.219 1.00 0.00 H ATOM 1409 HB2 LEU A 94 32.736 14.722 13.259 1.00 0.00 H ATOM 1410 HB3 LEU A 94 31.133 14.794 12.489 1.00 0.00 H ATOM 1411 HG LEU A 94 31.929 16.842 11.218 1.00 0.00 H ATOM 1412 HD21 LEU A 94 33.516 14.290 10.794 1.00 0.00 H ATOM 1413 HD22 LEU A 94 31.886 14.632 10.163 1.00 0.00 H ATOM 1414 HD23 LEU A 94 33.278 15.589 9.599 1.00 0.00 H ATOM 1415 HD11 LEU A 94 33.734 17.444 12.799 1.00 0.00 H ATOM 1416 HD12 LEU A 94 34.595 15.941 12.385 1.00 0.00 H ATOM 1417 HD13 LEU A 94 34.376 17.209 11.154 1.00 0.00 H ATOM 1418 H LEU A 94 30.601 14.682 14.853 1.00 0.00 H ATOM 1419 N VAL A 95 30.728 18.590 13.282 1.00 25.60 N ATOM 1420 CA VAL A 95 29.720 19.574 12.847 1.00 24.90 C ATOM 1421 C VAL A 95 30.262 20.190 11.577 1.00 24.84 C ATOM 1422 O VAL A 95 31.357 20.732 11.585 1.00 24.99 O ATOM 1423 CB VAL A 95 29.448 20.649 13.938 1.00 25.89 C ATOM 1424 CG1 VAL A 95 28.431 21.723 13.432 1.00 25.67 C ATOM 1425 CG2 VAL A 95 28.928 19.960 15.213 1.00 23.71 C ATOM 1426 HA VAL A 95 28.756 19.095 12.673 1.00 0.00 H ATOM 1427 HB VAL A 95 30.380 21.167 14.164 1.00 0.00 H ATOM 1428 HG11 VAL A 95 28.836 22.217 12.549 1.00 0.00 H ATOM 1429 HG12 VAL A 95 27.488 21.238 13.178 1.00 0.00 H ATOM 1430 HG13 VAL A 95 28.262 22.460 14.217 1.00 0.00 H ATOM 1431 HG21 VAL A 95 28.004 19.428 14.986 1.00 0.00 H ATOM 1432 HG22 VAL A 95 29.676 19.254 15.574 1.00 0.00 H ATOM 1433 HG23 VAL A 95 28.737 20.712 15.979 1.00 0.00 H ATOM 1434 H VAL A 95 31.673 18.918 13.567 1.00 0.00 H ATOM 1435 N GLN A 96 29.517 20.043 10.481 1.00 24.00 N ATOM 1436 CA GLN A 96 29.894 20.592 9.171 1.00 23.78 C ATOM 1437 C GLN A 96 28.933 21.749 8.824 1.00 24.43 C ATOM 1438 O GLN A 96 27.744 21.528 8.585 1.00 23.77 O ATOM 1439 CB GLN A 96 29.834 19.495 8.113 1.00 22.78 C ATOM 1440 CG GLN A 96 30.076 19.956 6.732 1.00 23.83 C ATOM 1441 CD GLN A 96 29.886 18.851 5.732 1.00 25.34 C ATOM 1442 OE1 GLN A 96 29.547 17.730 6.096 1.00 27.23 O ATOM 1443 NE2 GLN A 96 30.107 19.156 4.456 1.00 26.83 N ATOM 1444 HA GLN A 96 30.915 20.973 9.201 1.00 0.00 H ATOM 1445 HB2 GLN A 96 30.586 18.745 8.358 1.00 0.00 H ATOM 1446 HB3 GLN A 96 28.844 19.040 8.151 1.00 0.00 H ATOM 1447 HG2 GLN A 96 29.380 20.763 6.502 1.00 0.00 H ATOM 1448 HG3 GLN A 96 31.098 20.327 6.658 1.00 0.00 H ATOM 1449 HE22 GLN A 96 30.393 20.121 4.194 1.00 0.00 H ATOM 1450 HE21 GLN A 96 29.994 18.430 3.721 1.00 0.00 H ATOM 1451 H GLN A 96 28.625 19.514 10.557 1.00 0.00 H ATOM 1452 N HIS A 97 29.454 22.971 8.859 1.00 24.61 N ATOM 1453 CA HIS A 97 28.657 24.153 8.620 1.00 26.14 C ATOM 1454 C HIS A 97 28.944 24.698 7.213 1.00 26.51 C ATOM 1455 O HIS A 97 30.084 25.007 6.904 1.00 25.35 O ATOM 1456 CB HIS A 97 28.938 25.242 9.654 1.00 27.43 C ATOM 1457 CG HIS A 97 28.049 26.439 9.495 1.00 31.18 C ATOM 1458 ND1 HIS A 97 28.500 27.647 9.013 1.00 36.63 N ATOM 1459 CD2 HIS A 97 26.715 26.584 9.674 1.00 34.70 C ATOM 1460 CE1 HIS A 97 27.493 28.504 8.965 1.00 38.50 C ATOM 1461 NE2 HIS A 97 26.397 27.882 9.356 1.00 36.97 N ATOM 1462 HA HIS A 97 27.608 23.869 8.704 1.00 0.00 H ATOM 1463 HB2 HIS A 97 28.786 24.825 10.649 1.00 0.00 H ATOM 1464 HB3 HIS A 97 29.975 25.562 9.550 1.00 0.00 H ATOM 1465 HD2 HIS A 97 26.021 25.813 10.009 1.00 0.00 H ATOM 1466 HE1 HIS A 97 27.558 29.547 8.655 1.00 0.00 H ATOM 1467 H HIS A 97 30.468 23.080 9.065 1.00 0.00 H ATOM 1468 N GLN A 98 27.907 24.782 6.377 1.00 27.33 N ATOM 1469 CA GLN A 98 28.030 25.261 4.986 1.00 28.48 C ATOM 1470 C GLN A 98 27.327 26.591 4.821 1.00 31.31 C ATOM 1471 O GLN A 98 26.211 26.765 5.336 1.00 31.78 O ATOM 1472 CB GLN A 98 27.374 24.284 4.023 1.00 28.26 C ATOM 1473 CG GLN A 98 27.929 22.859 4.103 1.00 27.36 C ATOM 1474 CD GLN A 98 27.186 21.890 3.190 1.00 28.75 C ATOM 1475 OE1 GLN A 98 25.851 21.999 3.151 1.00 28.66 O ATOM 1476 NE2 GLN A 98 27.802 21.041 2.546 1.00 29.51 N ATOM 1477 HA GLN A 98 29.094 25.357 4.769 1.00 0.00 H ATOM 1478 HB2 GLN A 98 26.307 24.249 4.244 1.00 0.00 H ATOM 1479 HB3 GLN A 98 27.521 24.653 3.008 1.00 0.00 H ATOM 1480 HG2 GLN A 98 28.980 22.876 3.814 1.00 0.00 H ATOM 1481 HG3 GLN A 98 27.842 22.507 5.131 1.00 0.00 H ATOM 1482 HE22 GLN A 98 28.839 20.993 2.607 1.00 0.00 H ATOM 1483 HE21 GLN A 98 27.285 20.371 1.941 1.00 0.00 H ATOM 1484 H GLN A 98 26.968 24.497 6.722 1.00 0.00 H ATOM 1485 N GLN A 99 27.971 27.510 4.090 1.00 32.97 N ATOM 1486 CA GLN A 99 27.388 28.818 3.721 1.00 36.16 C ATOM 1487 C GLN A 99 27.563 29.049 2.234 1.00 36.80 C ATOM 1488 O GLN A 99 28.657 28.807 1.696 1.00 34.99 O ATOM 1489 CB GLN A 99 28.065 29.959 4.468 1.00 36.96 C ATOM 1490 CG GLN A 99 27.724 30.008 5.931 1.00 43.52 C ATOM 1491 CD GLN A 99 27.985 31.376 6.555 1.00 52.74 C ATOM 1492 OE1 GLN A 99 29.138 31.803 6.684 1.00 56.85 O ATOM 1493 NE2 GLN A 99 26.912 32.067 6.955 1.00 56.26 N ATOM 1494 HA GLN A 99 26.331 28.799 3.988 1.00 0.00 H ATOM 1495 HB2 GLN A 99 29.144 29.843 4.369 1.00 0.00 H ATOM 1496 HB3 GLN A 99 27.759 30.900 4.011 1.00 0.00 H ATOM 1497 HG2 GLN A 99 26.668 29.766 6.051 1.00 0.00 H ATOM 1498 HG3 GLN A 99 28.327 29.266 6.454 1.00 0.00 H ATOM 1499 HE22 GLN A 99 25.960 31.669 6.827 1.00 0.00 H ATOM 1500 HE21 GLN A 99 27.030 33.002 7.394 1.00 0.00 H ATOM 1501 H GLN A 99 28.934 27.292 3.764 1.00 0.00 H ATOM 1502 N TRP A 100 26.493 29.514 1.581 1.00 38.77 N ATOM 1503 CA TRP A 100 26.502 29.853 0.148 1.00 40.68 C ATOM 1504 C TRP A 100 25.323 30.790 -0.172 1.00 44.20 C ATOM 1505 O TRP A 100 24.213 30.580 0.321 1.00 44.43 O ATOM 1506 CB TRP A 100 26.424 28.574 -0.711 1.00 39.82 C ATOM 1507 CG TRP A 100 25.072 27.935 -0.721 1.00 39.25 C ATOM 1508 CD1 TRP A 100 24.152 27.992 -1.728 1.00 41.49 C ATOM 1509 CD2 TRP A 100 24.467 27.162 0.330 1.00 38.22 C ATOM 1510 NE1 TRP A 100 23.012 27.311 -1.374 1.00 40.25 N ATOM 1511 CE2 TRP A 100 23.174 26.791 -0.117 1.00 38.26 C ATOM 1512 CE3 TRP A 100 24.892 26.738 1.600 1.00 37.09 C ATOM 1513 CZ2 TRP A 100 22.301 26.025 0.661 1.00 36.26 C ATOM 1514 CZ3 TRP A 100 24.015 25.966 2.380 1.00 36.06 C ATOM 1515 CH2 TRP A 100 22.742 25.619 1.900 1.00 36.69 C ATOM 1516 HA TRP A 100 27.435 30.364 -0.088 1.00 0.00 H ATOM 1517 HB2 TRP A 100 26.690 28.831 -1.736 1.00 0.00 H ATOM 1518 HB3 TRP A 100 27.142 27.853 -0.320 1.00 0.00 H ATOM 1519 HE1 TRP A 100 22.163 27.207 -1.965 1.00 0.00 H ATOM 1520 HD1 TRP A 100 24.301 28.505 -2.678 1.00 0.00 H ATOM 1521 HZ2 TRP A 100 21.308 25.759 0.300 1.00 0.00 H ATOM 1522 HH2 TRP A 100 22.086 25.013 2.525 1.00 0.00 H ATOM 1523 HZ3 TRP A 100 24.327 25.632 3.370 1.00 0.00 H ATOM 1524 HE3 TRP A 100 25.882 27.002 1.972 1.00 0.00 H ATOM 1525 H TRP A 100 25.609 29.643 2.113 1.00 0.00 H ATOM 1526 N ASP A 101 25.551 31.832 -0.968 1.00 47.03 N ATOM 1527 CA ASP A 101 24.437 32.694 -1.403 1.00 51.66 C ATOM 1528 C ASP A 101 23.710 33.301 -0.211 1.00 52.45 C ATOM 1529 O ASP A 101 22.495 33.462 -0.249 1.00 54.57 O ATOM 1530 CB ASP A 101 23.401 31.876 -2.191 1.00 53.12 C ATOM 1531 CG ASP A 101 23.701 31.800 -3.666 1.00 57.15 C ATOM 1532 OD1 ASP A 101 24.465 30.895 -4.066 1.00 58.67 O ATOM 1533 OD2 ASP A 101 23.151 32.634 -4.428 1.00 62.41 O ATOM 1534 HA ASP A 101 24.870 33.480 -2.022 1.00 0.00 H ATOM 1535 HB2 ASP A 101 23.381 30.863 -1.789 1.00 0.00 H ATOM 1536 HB3 ASP A 101 22.422 32.338 -2.060 1.00 0.00 H ATOM 1537 H ASP A 101 26.520 32.039 -1.285 1.00 0.00 H ATOM 1538 N GLY A 102 24.433 33.587 0.868 1.00 51.45 N ATOM 1539 CA GLY A 102 23.789 34.082 2.092 1.00 52.37 C ATOM 1540 C GLY A 102 22.895 33.085 2.827 1.00 51.47 C ATOM 1541 O GLY A 102 22.223 33.453 3.793 1.00 52.85 O ATOM 1542 HA3 GLY A 102 23.178 34.943 1.823 1.00 0.00 H ATOM 1543 HA2 GLY A 102 24.575 34.396 2.779 1.00 0.00 H ATOM 1544 H GLY A 102 25.465 33.459 0.845 1.00 0.00 H ATOM 1545 N LYS A 103 22.892 31.830 2.371 1.00 49.24 N ATOM 1546 CA LYS A 103 22.163 30.740 3.020 1.00 47.93 C ATOM 1547 C LYS A 103 23.134 29.887 3.844 1.00 44.63 C ATOM 1548 O LYS A 103 24.354 29.964 3.661 1.00 43.13 O ATOM 1549 CB LYS A 103 21.468 29.841 1.987 1.00 48.46 C ATOM 1550 CG LYS A 103 20.462 30.542 1.060 1.00 53.03 C ATOM 1551 CD LYS A 103 20.064 29.572 -0.039 1.00 55.78 C ATOM 1552 CE LYS A 103 19.563 30.287 -1.281 1.00 62.82 C ATOM 1553 NZ LYS A 103 19.666 29.395 -2.493 1.00 64.10 N ATOM 1554 HA LYS A 103 21.405 31.183 3.666 1.00 0.00 H ATOM 1555 HB2 LYS A 103 22.239 29.389 1.363 1.00 0.00 H ATOM 1556 HB3 LYS A 103 20.936 29.059 2.528 1.00 0.00 H ATOM 1557 HG2 LYS A 103 19.580 30.836 1.629 1.00 0.00 H ATOM 1558 HG3 LYS A 103 20.921 31.428 0.621 1.00 0.00 H ATOM 1559 HD2 LYS A 103 20.932 28.969 -0.307 1.00 0.00 H ATOM 1560 HD3 LYS A 103 19.273 28.922 0.335 1.00 0.00 H ATOM 1561 HE2 LYS A 103 20.163 31.182 -1.444 1.00 0.00 H ATOM 1562 HE3 LYS A 103 18.521 30.571 -1.134 1.00 0.00 H ATOM 1563 HZ1 LYS A 103 20.660 29.125 -2.640 1.00 0.00 H ATOM 1564 HZ2 LYS A 103 19.092 28.541 -2.343 1.00 0.00 H ATOM 1565 HZ3 LYS A 103 19.318 29.906 -3.329 1.00 0.00 H ATOM 1566 H LYS A 103 23.436 31.616 1.511 1.00 0.00 H ATOM 1567 N GLU A 104 22.588 29.058 4.727 1.00 42.93 N ATOM 1568 CA GLU A 104 23.411 28.179 5.543 1.00 39.74 C ATOM 1569 C GLU A 104 22.721 26.860 5.866 1.00 38.44 C ATOM 1570 O GLU A 104 21.486 26.773 5.903 1.00 40.20 O ATOM 1571 CB GLU A 104 23.887 28.891 6.819 1.00 40.23 C ATOM 1572 CG GLU A 104 22.816 29.593 7.640 1.00 44.06 C ATOM 1573 CD GLU A 104 23.297 29.981 9.048 1.00 48.35 C ATOM 1574 OE1 GLU A 104 24.453 29.669 9.434 1.00 46.66 O ATOM 1575 OE2 GLU A 104 22.497 30.593 9.782 1.00 51.88 O ATOM 1576 HA GLU A 104 24.289 27.929 4.947 1.00 0.00 H ATOM 1577 HB2 GLU A 104 24.360 28.146 7.458 1.00 0.00 H ATOM 1578 HB3 GLU A 104 24.625 29.638 6.527 1.00 0.00 H ATOM 1579 HG2 GLU A 104 22.513 30.498 7.114 1.00 0.00 H ATOM 1580 HG3 GLU A 104 21.959 28.926 7.737 1.00 0.00 H ATOM 1581 H GLU A 104 21.554 29.037 4.837 1.00 0.00 H ATOM 1582 N SER A 105 23.528 25.825 6.051 1.00 35.01 N ATOM 1583 CA SER A 105 23.051 24.531 6.489 1.00 33.86 C ATOM 1584 C SER A 105 24.088 23.908 7.399 1.00 31.58 C ATOM 1585 O SER A 105 25.279 24.181 7.271 1.00 28.87 O ATOM 1586 CB SER A 105 22.852 23.616 5.295 1.00 33.72 C ATOM 1587 OG SER A 105 22.113 22.487 5.699 1.00 36.27 O ATOM 1588 HA SER A 105 22.104 24.660 7.013 1.00 0.00 H ATOM 1589 HB2 SER A 105 23.822 23.300 4.911 1.00 0.00 H ATOM 1590 HB3 SER A 105 22.309 24.148 4.513 1.00 0.00 H ATOM 1591 HG SER A 105 21.233 22.777 6.048 1.00 0.00 H ATOM 1592 H SER A 105 24.545 25.948 5.874 1.00 0.00 H ATOM 1593 N THR A 106 23.637 23.065 8.318 1.00 31.47 N ATOM 1594 CA THR A 106 24.570 22.327 9.145 1.00 30.53 C ATOM 1595 C THR A 106 24.264 20.838 9.082 1.00 30.32 C ATOM 1596 O THR A 106 23.100 20.433 9.114 1.00 31.35 O ATOM 1597 CB THR A 106 24.562 22.825 10.600 1.00 31.48 C ATOM 1598 OG1 THR A 106 25.019 24.183 10.623 1.00 33.29 O ATOM 1599 CG2 THR A 106 25.504 21.991 11.470 1.00 29.96 C ATOM 1600 HA THR A 106 25.572 22.498 8.752 1.00 0.00 H ATOM 1601 HB THR A 106 23.548 22.740 10.990 1.00 0.00 H ATOM 1602 HG1 THR A 106 25.018 24.515 11.556 1.00 0.00 H ATOM 1603 HG23 THR A 106 25.175 20.952 11.467 1.00 0.00 H ATOM 1604 HG21 THR A 106 26.516 22.054 11.071 1.00 0.00 H ATOM 1605 HG22 THR A 106 25.490 22.375 12.490 1.00 0.00 H ATOM 1606 H THR A 106 22.613 22.934 8.445 1.00 0.00 H ATOM 1607 N ILE A 107 25.328 20.046 8.986 1.00 28.60 N ATOM 1608 CA ILE A 107 25.257 18.615 9.062 1.00 27.70 C ATOM 1609 C ILE A 107 26.094 18.160 10.247 1.00 27.60 C ATOM 1610 O ILE A 107 27.293 18.455 10.339 1.00 26.27 O ATOM 1611 CB ILE A 107 25.779 17.992 7.762 1.00 27.55 C ATOM 1612 CG1 ILE A 107 24.916 18.462 6.570 1.00 29.64 C ATOM 1613 CG2 ILE A 107 25.845 16.454 7.877 1.00 25.59 C ATOM 1614 CD1 ILE A 107 25.674 18.429 5.278 1.00 32.42 C ATOM 1615 HA ILE A 107 24.224 18.294 9.196 1.00 0.00 H ATOM 1616 HB ILE A 107 26.799 18.332 7.582 1.00 0.00 H ATOM 1617 HG12 ILE A 107 24.048 17.809 6.485 1.00 0.00 H ATOM 1618 HG13 ILE A 107 24.584 19.483 6.757 1.00 0.00 H ATOM 1619 HD11 ILE A 107 26.541 19.086 5.350 1.00 0.00 H ATOM 1620 HD12 ILE A 107 26.004 17.410 5.078 1.00 0.00 H ATOM 1621 HD13 ILE A 107 25.026 18.768 4.469 1.00 0.00 H ATOM 1622 HG21 ILE A 107 26.515 16.180 8.692 1.00 0.00 H ATOM 1623 HG22 ILE A 107 24.848 16.063 8.078 1.00 0.00 H ATOM 1624 HG23 ILE A 107 26.218 16.037 6.942 1.00 0.00 H ATOM 1625 H ILE A 107 26.260 20.487 8.849 1.00 0.00 H ATOM 1626 N THR A 108 25.445 17.451 11.154 1.00 27.56 N ATOM 1627 CA THR A 108 26.087 16.959 12.350 1.00 29.32 C ATOM 1628 C THR A 108 26.199 15.425 12.231 1.00 28.31 C ATOM 1629 O THR A 108 25.235 14.758 11.840 1.00 28.84 O ATOM 1630 CB THR A 108 25.240 17.358 13.585 1.00 30.43 C ATOM 1631 OG1 THR A 108 25.303 18.781 13.748 1.00 33.93 O ATOM 1632 CG2 THR A 108 25.771 16.755 14.839 1.00 34.61 C ATOM 1633 HA THR A 108 27.082 17.388 12.468 1.00 0.00 H ATOM 1634 HB THR A 108 24.223 17.004 13.415 1.00 0.00 H ATOM 1635 HG1 THR A 108 24.943 19.221 12.937 1.00 0.00 H ATOM 1636 HG23 THR A 108 25.742 15.668 14.759 1.00 0.00 H ATOM 1637 HG21 THR A 108 26.800 17.082 14.990 1.00 0.00 H ATOM 1638 HG22 THR A 108 25.159 17.075 15.682 1.00 0.00 H ATOM 1639 H THR A 108 24.438 17.240 11.001 1.00 0.00 H ATOM 1640 N ARG A 109 27.347 14.872 12.605 1.00 26.95 N ATOM 1641 CA ARG A 109 27.537 13.419 12.602 1.00 26.69 C ATOM 1642 C ARG A 109 27.991 12.993 13.968 1.00 28.20 C ATOM 1643 O ARG A 109 28.959 13.524 14.498 1.00 27.96 O ATOM 1644 CB ARG A 109 28.565 13.004 11.539 1.00 25.63 C ATOM 1645 CG ARG A 109 28.118 13.351 10.128 1.00 23.85 C ATOM 1646 CD ARG A 109 29.179 12.985 9.120 1.00 24.58 C ATOM 1647 NE ARG A 109 28.737 13.237 7.750 1.00 26.43 N ATOM 1648 CZ ARG A 109 28.936 14.382 7.097 1.00 28.63 C ATOM 1649 NH1 ARG A 109 29.563 15.422 7.688 1.00 23.40 N ATOM 1650 NH2 ARG A 109 28.499 14.482 5.845 1.00 27.57 N ATOM 1651 HA ARG A 109 26.595 12.929 12.356 1.00 0.00 H ATOM 1652 HB2 ARG A 109 29.505 13.516 11.744 1.00 0.00 H ATOM 1653 HB3 ARG A 109 28.718 11.927 11.602 1.00 0.00 H ATOM 1654 HG2 ARG A 109 27.204 12.804 9.899 1.00 0.00 H ATOM 1655 HG3 ARG A 109 27.923 14.422 10.068 1.00 0.00 H ATOM 1656 HD2 ARG A 109 29.416 11.926 9.225 1.00 0.00 H ATOM 1657 HD3 ARG A 109 30.073 13.577 9.317 1.00 0.00 H ATOM 1658 HE ARG A 109 28.235 12.474 7.253 1.00 0.00 H ATOM 1659 HH12 ARG A 109 29.709 16.308 7.163 1.00 0.00 H ATOM 1660 HH11 ARG A 109 29.900 15.337 8.668 1.00 0.00 H ATOM 1661 HH22 ARG A 109 28.642 15.364 5.313 1.00 0.00 H ATOM 1662 HH21 ARG A 109 28.015 13.678 5.397 1.00 0.00 H ATOM 1663 H ARG A 109 28.131 15.485 12.907 1.00 0.00 H ATOM 1664 N LYS A 110 27.275 12.049 14.556 1.00 29.46 N ATOM 1665 CA LYS A 110 27.584 11.645 15.904 1.00 32.02 C ATOM 1666 C LYS A 110 27.370 10.152 16.055 1.00 32.38 C ATOM 1667 O LYS A 110 26.449 9.578 15.475 1.00 31.76 O ATOM 1668 CB LYS A 110 26.706 12.430 16.891 1.00 33.01 C ATOM 1669 CG LYS A 110 26.800 11.945 18.324 1.00 38.41 C ATOM 1670 CD LYS A 110 26.370 13.020 19.353 1.00 41.10 C ATOM 1671 CE LYS A 110 27.076 12.746 20.681 1.00 43.86 C ATOM 1672 NZ LYS A 110 26.518 13.553 21.785 1.00 47.20 N ATOM 1673 HA LYS A 110 28.629 11.863 16.122 1.00 0.00 H ATOM 1674 HB2 LYS A 110 27.010 13.476 16.863 1.00 0.00 H ATOM 1675 HB3 LYS A 110 25.668 12.346 16.568 1.00 0.00 H ATOM 1676 HG2 LYS A 110 26.155 11.074 18.440 1.00 0.00 H ATOM 1677 HG3 LYS A 110 27.832 11.661 18.528 1.00 0.00 H ATOM 1678 HD2 LYS A 110 26.648 14.009 18.988 1.00 0.00 H ATOM 1679 HD3 LYS A 110 25.290 12.978 19.497 1.00 0.00 H ATOM 1680 HE2 LYS A 110 28.134 12.983 20.572 1.00 0.00 H ATOM 1681 HE3 LYS A 110 26.965 11.690 20.927 1.00 0.00 H ATOM 1682 HZ1 LYS A 110 26.626 14.563 21.563 1.00 0.00 H ATOM 1683 HZ2 LYS A 110 25.509 13.328 21.902 1.00 0.00 H ATOM 1684 HZ3 LYS A 110 27.027 13.334 22.665 1.00 0.00 H ATOM 1685 H LYS A 110 26.489 11.598 14.045 1.00 0.00 H ATOM 1686 N LEU A 111 28.224 9.525 16.842 1.00 33.66 N ATOM 1687 CA LEU A 111 28.063 8.126 17.153 1.00 35.68 C ATOM 1688 C LEU A 111 27.077 7.983 18.327 1.00 36.97 C ATOM 1689 O LEU A 111 27.331 8.500 19.415 1.00 38.20 O ATOM 1690 CB LEU A 111 29.422 7.510 17.501 1.00 36.90 C ATOM 1691 CG LEU A 111 29.477 5.982 17.362 1.00 39.86 C ATOM 1692 CD1 LEU A 111 29.745 5.697 15.897 1.00 40.38 C ATOM 1693 CD2 LEU A 111 30.561 5.348 18.265 1.00 42.42 C ATOM 1694 HA LEU A 111 27.663 7.596 16.289 1.00 0.00 H ATOM 1695 HB2 LEU A 111 30.172 7.941 16.838 1.00 0.00 H ATOM 1696 HB3 LEU A 111 29.660 7.768 18.533 1.00 0.00 H ATOM 1697 HG LEU A 111 28.536 5.538 17.688 1.00 0.00 H ATOM 1698 HD21 LEU A 111 31.538 5.747 17.993 1.00 0.00 H ATOM 1699 HD22 LEU A 111 30.348 5.585 19.307 1.00 0.00 H ATOM 1700 HD23 LEU A 111 30.558 4.267 18.129 1.00 0.00 H ATOM 1701 HD11 LEU A 111 28.940 6.116 15.293 1.00 0.00 H ATOM 1702 HD12 LEU A 111 30.693 6.151 15.607 1.00 0.00 H ATOM 1703 HD13 LEU A 111 29.794 4.619 15.741 1.00 0.00 H ATOM 1704 H LEU A 111 29.027 10.049 17.245 1.00 0.00 H ATOM 1705 N LYS A 112 25.956 7.294 18.100 1.00 36.89 N ATOM 1706 CA LYS A 112 25.003 6.976 19.163 1.00 37.32 C ATOM 1707 C LYS A 112 24.668 5.478 19.161 1.00 37.90 C ATOM 1708 O LYS A 112 24.180 4.940 18.153 1.00 36.53 O ATOM 1709 CB LYS A 112 23.726 7.821 19.012 1.00 37.47 C ATOM 1710 CG LYS A 112 22.636 7.552 20.040 1.00 41.12 C ATOM 1711 HA LYS A 112 25.463 7.219 20.121 1.00 0.00 H ATOM 1712 HB2 LYS A 112 24.007 8.871 19.088 1.00 0.00 H ATOM 1713 HB3 LYS A 112 23.310 7.628 18.023 1.00 0.00 H ATOM 1714 HG2 LYS A 112 22.325 6.509 19.973 1.00 0.00 H ATOM 1715 HG3 LYS A 112 23.023 7.754 21.039 1.00 0.00 H ATOM 1716 H LYS A 112 25.753 6.972 17.132 1.00 0.00 H ATOM 1717 N ASP A 113 24.930 4.817 20.297 1.00 37.87 N ATOM 1718 CA ASP A 113 24.627 3.410 20.456 1.00 39.01 C ATOM 1719 C ASP A 113 25.184 2.595 19.254 1.00 37.49 C ATOM 1720 O ASP A 113 24.493 1.790 18.651 1.00 36.58 O ATOM 1721 CB ASP A 113 23.105 3.226 20.633 1.00 40.21 C ATOM 1722 CG ASP A 113 22.734 1.850 21.126 1.00 43.54 C ATOM 1723 OD1 ASP A 113 23.584 1.203 21.764 1.00 48.15 O ATOM 1724 OD2 ASP A 113 21.595 1.403 20.877 1.00 46.10 O ATOM 1725 HA ASP A 113 25.116 3.027 21.352 1.00 0.00 H ATOM 1726 HB2 ASP A 113 22.747 3.962 21.353 1.00 0.00 H ATOM 1727 HB3 ASP A 113 22.620 3.394 19.671 1.00 0.00 H ATOM 1728 H ASP A 113 25.365 5.331 21.090 1.00 0.00 H ATOM 1729 N GLY A 114 26.440 2.863 18.910 1.00 36.65 N ATOM 1730 CA GLY A 114 27.148 2.158 17.837 1.00 35.83 C ATOM 1731 C GLY A 114 26.775 2.555 16.415 1.00 34.07 C ATOM 1732 O GLY A 114 27.382 2.058 15.474 1.00 33.89 O ATOM 1733 HA3 GLY A 114 26.947 1.093 17.949 1.00 0.00 H ATOM 1734 HA2 GLY A 114 28.215 2.341 17.965 1.00 0.00 H ATOM 1735 H GLY A 114 26.945 3.610 19.428 1.00 0.00 H ATOM 1736 N LYS A 115 25.772 3.422 16.247 1.00 32.89 N ATOM 1737 CA LYS A 115 25.345 3.896 14.911 1.00 31.54 C ATOM 1738 C LYS A 115 25.768 5.349 14.684 1.00 29.99 C ATOM 1739 O LYS A 115 25.898 6.110 15.639 1.00 29.43 O ATOM 1740 CB LYS A 115 23.826 3.773 14.746 1.00 32.01 C ATOM 1741 CG LYS A 115 23.312 2.349 14.960 1.00 35.00 C ATOM 1742 CD LYS A 115 21.837 2.226 14.596 1.00 37.38 C ATOM 1743 CE LYS A 115 21.291 0.883 15.074 1.00 41.16 C ATOM 1744 NZ LYS A 115 19.891 0.707 14.624 1.00 42.66 N ATOM 1745 HA LYS A 115 25.834 3.265 14.169 1.00 0.00 H ATOM 1746 HB2 LYS A 115 23.344 4.429 15.471 1.00 0.00 H ATOM 1747 HB3 LYS A 115 23.560 4.090 13.738 1.00 0.00 H ATOM 1748 HG2 LYS A 115 23.889 1.666 14.336 1.00 0.00 H ATOM 1749 HG3 LYS A 115 23.442 2.079 16.008 1.00 0.00 H ATOM 1750 HD2 LYS A 115 21.279 3.033 15.072 1.00 0.00 H ATOM 1751 HD3 LYS A 115 21.725 2.297 13.514 1.00 0.00 H ATOM 1752 HE2 LYS A 115 21.326 0.847 16.163 1.00 0.00 H ATOM 1753 HE3 LYS A 115 21.904 0.080 14.666 1.00 0.00 H ATOM 1754 HZ1 LYS A 115 19.304 1.471 15.015 1.00 0.00 H ATOM 1755 HZ2 LYS A 115 19.856 0.738 13.585 1.00 0.00 H ATOM 1756 HZ3 LYS A 115 19.534 -0.211 14.957 1.00 0.00 H ATOM 1757 H LYS A 115 25.272 3.777 17.087 1.00 0.00 H ATOM 1758 N MET A 116 26.019 5.715 13.425 1.00 28.58 N ATOM 1759 CA MET A 116 26.266 7.110 13.094 1.00 27.78 C ATOM 1760 C MET A 116 24.948 7.798 12.727 1.00 27.24 C ATOM 1761 O MET A 116 24.253 7.398 11.782 1.00 26.74 O ATOM 1762 CB MET A 116 27.293 7.282 11.972 1.00 26.77 C ATOM 1763 CG MET A 116 27.539 8.760 11.621 1.00 26.27 C ATOM 1764 SD MET A 116 28.876 8.939 10.433 1.00 30.21 S ATOM 1765 CE MET A 116 28.005 8.459 8.927 1.00 28.24 C ATOM 1766 HA MET A 116 26.693 7.582 13.979 1.00 0.00 H ATOM 1767 HB2 MET A 116 28.236 6.836 12.289 1.00 0.00 H ATOM 1768 HB3 MET A 116 26.930 6.767 11.083 1.00 0.00 H ATOM 1769 HG2 MET A 116 27.797 9.302 12.530 1.00 0.00 H ATOM 1770 HG3 MET A 116 26.628 9.180 11.196 1.00 0.00 H ATOM 1771 HE1 MET A 116 27.634 7.439 9.032 1.00 0.00 H ATOM 1772 HE2 MET A 116 27.167 9.136 8.762 1.00 0.00 H ATOM 1773 HE3 MET A 116 28.689 8.513 8.080 1.00 0.00 H ATOM 1774 H MET A 116 26.038 4.996 12.674 1.00 0.00 H ATOM 1775 N ILE A 117 24.619 8.820 13.510 1.00 26.92 N ATOM 1776 CA ILE A 117 23.431 9.596 13.311 1.00 28.70 C ATOM 1777 C ILE A 117 23.858 10.865 12.606 1.00 28.55 C ATOM 1778 O ILE A 117 24.766 11.570 13.067 1.00 28.26 O ATOM 1779 CB ILE A 117 22.762 9.943 14.658 1.00 30.27 C ATOM 1780 CG1 ILE A 117 22.670 8.686 15.558 1.00 30.72 C ATOM 1781 CG2 ILE A 117 21.407 10.641 14.433 1.00 30.87 C ATOM 1782 CD1 ILE A 117 21.796 7.561 15.016 1.00 33.09 C ATOM 1783 HA ILE A 117 22.703 9.035 12.725 1.00 0.00 H ATOM 1784 HB ILE A 117 23.383 10.660 15.196 1.00 0.00 H ATOM 1785 HG12 ILE A 117 23.678 8.294 15.694 1.00 0.00 H ATOM 1786 HG13 ILE A 117 22.267 8.991 16.523 1.00 0.00 H ATOM 1787 HD11 ILE A 117 20.777 7.925 14.886 1.00 0.00 H ATOM 1788 HD12 ILE A 117 22.189 7.227 14.056 1.00 0.00 H ATOM 1789 HD13 ILE A 117 21.799 6.729 15.720 1.00 0.00 H ATOM 1790 HG21 ILE A 117 21.563 11.561 13.870 1.00 0.00 H ATOM 1791 HG22 ILE A 117 20.747 9.979 13.873 1.00 0.00 H ATOM 1792 HG23 ILE A 117 20.956 10.875 15.397 1.00 0.00 H ATOM 1793 H ILE A 117 25.249 9.067 14.299 1.00 0.00 H ATOM 1794 N VAL A 118 23.227 11.129 11.472 1.00 28.26 N ATOM 1795 CA VAL A 118 23.549 12.281 10.649 1.00 27.34 C ATOM 1796 C VAL A 118 22.321 13.161 10.633 1.00 28.98 C ATOM 1797 O VAL A 118 21.283 12.770 10.072 1.00 29.56 O ATOM 1798 CB VAL A 118 23.930 11.849 9.219 1.00 27.09 C ATOM 1799 CG1 VAL A 118 24.279 13.064 8.367 1.00 26.08 C ATOM 1800 CG2 VAL A 118 25.126 10.870 9.224 1.00 25.56 C ATOM 1801 HA VAL A 118 24.408 12.817 11.054 1.00 0.00 H ATOM 1802 HB VAL A 118 23.065 11.341 8.793 1.00 0.00 H ATOM 1803 HG11 VAL A 118 23.418 13.731 8.318 1.00 0.00 H ATOM 1804 HG12 VAL A 118 25.122 13.590 8.814 1.00 0.00 H ATOM 1805 HG13 VAL A 118 24.545 12.737 7.362 1.00 0.00 H ATOM 1806 HG21 VAL A 118 25.989 11.355 9.680 1.00 0.00 H ATOM 1807 HG22 VAL A 118 24.863 9.980 9.796 1.00 0.00 H ATOM 1808 HG23 VAL A 118 25.367 10.587 8.199 1.00 0.00 H ATOM 1809 H VAL A 118 22.472 10.486 11.159 1.00 0.00 H ATOM 1810 N GLU A 119 22.417 14.317 11.299 1.00 28.93 N ATOM 1811 CA GLU A 119 21.329 15.288 11.317 1.00 30.78 C ATOM 1812 C GLU A 119 21.645 16.453 10.379 1.00 30.55 C ATOM 1813 O GLU A 119 22.679 17.109 10.510 1.00 29.58 O ATOM 1814 CB GLU A 119 21.048 15.788 12.749 1.00 31.45 C ATOM 1815 CG GLU A 119 19.824 16.697 12.874 1.00 35.34 C ATOM 1816 CD GLU A 119 19.295 16.807 14.309 1.00 39.31 C ATOM 1817 OE1 GLU A 119 19.554 15.889 15.123 1.00 40.35 O ATOM 1818 OE2 GLU A 119 18.615 17.808 14.622 1.00 42.11 O ATOM 1819 HA GLU A 119 20.424 14.794 10.962 1.00 0.00 H ATOM 1820 HB2 GLU A 119 20.894 14.919 13.389 1.00 0.00 H ATOM 1821 HB3 GLU A 119 21.921 16.342 13.094 1.00 0.00 H ATOM 1822 HG2 GLU A 119 20.096 17.694 12.528 1.00 0.00 H ATOM 1823 HG3 GLU A 119 19.030 16.298 12.242 1.00 0.00 H ATOM 1824 H GLU A 119 23.292 14.529 11.819 1.00 0.00 H ATOM 1825 N CYS A 120 20.744 16.714 9.436 1.00 32.11 N ATOM 1826 CA CYS A 120 20.917 17.833 8.500 1.00 33.71 C ATOM 1827 C CYS A 120 19.845 18.892 8.750 1.00 35.12 C ATOM 1828 O CYS A 120 18.660 18.584 8.772 1.00 37.10 O ATOM 1829 CB CYS A 120 20.855 17.364 7.045 1.00 33.45 C ATOM 1830 SG CYS A 120 21.861 15.917 6.668 1.00 36.81 S ATOM 1831 HA CYS A 120 21.904 18.263 8.672 1.00 0.00 H ATOM 1832 HB2 CYS A 120 21.191 18.184 6.410 1.00 0.00 H ATOM 1833 HB3 CYS A 120 19.818 17.126 6.810 1.00 0.00 H ATOM 1834 HG CYS A 120 21.720 15.596 5.333 1.00 0.00 H ATOM 1835 H CYS A 120 19.899 16.113 9.360 1.00 0.00 H ATOM 1836 N VAL A 121 20.268 20.135 8.940 1.00 35.14 N ATOM 1837 CA VAL A 121 19.337 21.239 9.179 1.00 37.49 C ATOM 1838 C VAL A 121 19.549 22.333 8.140 1.00 37.47 C ATOM 1839 O VAL A 121 20.671 22.753 7.868 1.00 35.65 O ATOM 1840 CB VAL A 121 19.467 21.811 10.634 1.00 37.94 C ATOM 1841 CG1 VAL A 121 18.487 22.974 10.897 1.00 40.15 C ATOM 1842 CG2 VAL A 121 19.246 20.690 11.663 1.00 40.31 C ATOM 1843 HA VAL A 121 18.323 20.851 9.082 1.00 0.00 H ATOM 1844 HB VAL A 121 20.476 22.209 10.737 1.00 0.00 H ATOM 1845 HG11 VAL A 121 18.690 23.784 10.196 1.00 0.00 H ATOM 1846 HG12 VAL A 121 17.464 22.623 10.762 1.00 0.00 H ATOM 1847 HG13 VAL A 121 18.618 23.334 11.918 1.00 0.00 H ATOM 1848 HG21 VAL A 121 18.249 20.269 11.531 1.00 0.00 H ATOM 1849 HG22 VAL A 121 19.994 19.911 11.516 1.00 0.00 H ATOM 1850 HG23 VAL A 121 19.339 21.099 12.669 1.00 0.00 H ATOM 1851 H VAL A 121 21.289 20.330 8.919 1.00 0.00 H ATOM 1852 N MET A 122 18.452 22.783 7.550 1.00 39.58 N ATOM 1853 CA MET A 122 18.465 24.029 6.840 1.00 40.58 C ATOM 1854 C MET A 122 17.128 24.688 7.120 1.00 43.91 C ATOM 1855 O MET A 122 16.075 24.087 6.853 1.00 44.80 O ATOM 1856 CB MET A 122 18.669 23.837 5.339 1.00 40.06 C ATOM 1857 CG MET A 122 18.844 25.185 4.667 1.00 41.88 C ATOM 1858 SD MET A 122 18.979 25.171 2.899 1.00 43.57 S ATOM 1859 CE MET A 122 18.757 26.889 2.505 1.00 42.16 C ATOM 1860 HA MET A 122 19.299 24.646 7.174 1.00 0.00 H ATOM 1861 HB2 MET A 122 19.558 23.230 5.169 1.00 0.00 H ATOM 1862 HB3 MET A 122 17.800 23.332 4.917 1.00 0.00 H ATOM 1863 HG2 MET A 122 19.751 25.640 5.066 1.00 0.00 H ATOM 1864 HG3 MET A 122 17.984 25.801 4.930 1.00 0.00 H ATOM 1865 HE1 MET A 122 17.780 27.218 2.858 1.00 0.00 H ATOM 1866 HE2 MET A 122 19.537 27.476 2.991 1.00 0.00 H ATOM 1867 HE3 MET A 122 18.818 27.024 1.425 1.00 0.00 H ATOM 1868 H MET A 122 17.574 22.228 7.602 1.00 0.00 H ATOM 1869 N ASN A 123 17.176 25.908 7.669 1.00 45.49 N ATOM 1870 CA ASN A 123 15.969 26.636 8.078 1.00 48.93 C ATOM 1871 C ASN A 123 15.090 25.767 8.989 1.00 50.09 C ATOM 1872 O ASN A 123 15.599 25.188 9.949 1.00 49.13 O ATOM 1873 CB ASN A 123 15.206 27.140 6.844 1.00 51.03 C ATOM 1874 CG ASN A 123 16.050 28.063 5.971 1.00 50.58 C ATOM 1875 OD1 ASN A 123 16.922 28.851 6.592 1.00 51.12 O ATOM 1876 ND2 ASN A 123 15.913 28.067 4.755 1.00 48.45 N ATOM 1877 HA ASN A 123 16.263 27.510 8.660 1.00 0.00 H ATOM 1878 HB2 ASN A 123 14.898 26.281 6.248 1.00 0.00 H ATOM 1879 HB3 ASN A 123 14.323 27.685 7.177 1.00 0.00 H ATOM 1880 HD22 ASN A 123 15.219 27.435 4.308 1.00 0.00 H ATOM 1881 HD21 ASN A 123 16.491 28.703 4.169 1.00 0.00 H ATOM 1882 H ASN A 123 18.103 26.357 7.811 1.00 0.00 H ATOM 1883 N ASN A 124 13.800 25.641 8.667 1.00 53.10 N ATOM 1884 CA ASN A 124 12.871 24.789 9.429 1.00 54.85 C ATOM 1885 C ASN A 124 12.850 23.306 9.009 1.00 53.55 C ATOM 1886 O ASN A 124 12.001 22.531 9.468 1.00 55.14 O ATOM 1887 CB ASN A 124 11.451 25.365 9.364 1.00 58.76 C ATOM 1888 CG ASN A 124 11.383 26.798 9.868 1.00 61.90 C ATOM 1889 OD1 ASN A 124 12.306 27.282 10.527 1.00 61.66 O ATOM 1890 ND2 ASN A 124 10.289 27.483 9.560 1.00 66.17 N ATOM 1891 HA ASN A 124 13.250 24.799 10.451 1.00 0.00 H ATOM 1892 HB2 ASN A 124 11.110 25.341 8.329 1.00 0.00 H ATOM 1893 HB3 ASN A 124 10.794 24.747 9.976 1.00 0.00 H ATOM 1894 HD22 ASN A 124 9.535 27.035 9.002 1.00 0.00 H ATOM 1895 HD21 ASN A 124 10.186 28.468 9.877 1.00 0.00 H ATOM 1896 H ASN A 124 13.437 26.165 7.846 1.00 0.00 H ATOM 1897 N ALA A 125 13.770 22.920 8.132 1.00 51.18 N ATOM 1898 CA ALA A 125 13.780 21.573 7.585 1.00 50.11 C ATOM 1899 C ALA A 125 14.902 20.760 8.218 1.00 46.99 C ATOM 1900 O ALA A 125 16.071 21.086 8.049 1.00 45.10 O ATOM 1901 CB ALA A 125 13.927 21.616 6.053 1.00 49.96 C ATOM 1902 HA ALA A 125 12.832 21.089 7.819 1.00 0.00 H ATOM 1903 HB1 ALA A 125 13.090 22.167 5.624 1.00 0.00 H ATOM 1904 HB2 ALA A 125 14.862 22.112 5.793 1.00 0.00 H ATOM 1905 HB3 ALA A 125 13.933 20.599 5.661 1.00 0.00 H ATOM 1906 H ALA A 125 14.500 23.597 7.830 1.00 0.00 H ATOM 1907 N THR A 126 14.523 19.716 8.956 1.00 46.98 N ATOM 1908 CA THR A 126 15.471 18.788 9.550 1.00 44.72 C ATOM 1909 C THR A 126 15.346 17.401 8.941 1.00 43.57 C ATOM 1910 O THR A 126 14.251 16.923 8.652 1.00 45.20 O ATOM 1911 CB THR A 126 15.341 18.706 11.088 1.00 45.45 C ATOM 1912 OG1 THR A 126 15.520 20.009 11.627 1.00 48.39 O ATOM 1913 CG2 THR A 126 16.432 17.822 11.695 1.00 44.02 C ATOM 1914 HA THR A 126 16.461 19.184 9.325 1.00 0.00 H ATOM 1915 HB THR A 126 14.361 18.290 11.321 1.00 0.00 H ATOM 1916 HG1 THR A 126 15.439 19.971 12.613 1.00 0.00 H ATOM 1917 HG23 THR A 126 16.333 16.808 11.308 1.00 0.00 H ATOM 1918 HG21 THR A 126 17.411 18.220 11.428 1.00 0.00 H ATOM 1919 HG22 THR A 126 16.327 17.810 12.780 1.00 0.00 H ATOM 1920 H THR A 126 13.507 19.559 9.113 1.00 0.00 H ATOM 1921 N CYS A 127 16.503 16.782 8.727 1.00 40.44 N ATOM 1922 CA CYS A 127 16.605 15.427 8.218 1.00 39.17 C ATOM 1923 C CYS A 127 17.448 14.625 9.207 1.00 36.91 C ATOM 1924 O CYS A 127 18.476 15.104 9.669 1.00 34.80 O ATOM 1925 CB CYS A 127 17.269 15.454 6.836 1.00 38.07 C ATOM 1926 SG CYS A 127 17.833 13.872 6.268 1.00 41.18 S ATOM 1927 HA CYS A 127 15.622 14.969 8.113 1.00 0.00 H ATOM 1928 HB2 CYS A 127 18.126 16.126 6.881 1.00 0.00 H ATOM 1929 HB3 CYS A 127 16.546 15.838 6.117 1.00 0.00 H ATOM 1930 HG CYS A 127 16.762 13.006 6.186 1.00 0.00 H ATOM 1931 H CYS A 127 17.382 17.297 8.936 1.00 0.00 H ATOM 1932 N THR A 128 17.022 13.406 9.524 1.00 36.64 N ATOM 1933 CA THR A 128 17.838 12.505 10.313 1.00 35.29 C ATOM 1934 C THR A 128 18.153 11.261 9.473 1.00 34.68 C ATOM 1935 O THR A 128 17.241 10.651 8.893 1.00 35.78 O ATOM 1936 CB THR A 128 17.110 12.116 11.598 1.00 36.96 C ATOM 1937 OG1 THR A 128 16.830 13.309 12.331 1.00 39.93 O ATOM 1938 CG2 THR A 128 17.984 11.177 12.454 1.00 36.52 C ATOM 1939 HA THR A 128 18.768 13.000 10.592 1.00 0.00 H ATOM 1940 HB THR A 128 16.187 11.592 11.351 1.00 0.00 H ATOM 1941 HG1 THR A 128 16.357 13.077 13.169 1.00 0.00 H ATOM 1942 HG23 THR A 128 18.196 10.267 11.892 1.00 0.00 H ATOM 1943 HG21 THR A 128 18.919 11.679 12.702 1.00 0.00 H ATOM 1944 HG22 THR A 128 17.452 10.923 13.371 1.00 0.00 H ATOM 1945 H THR A 128 16.085 13.093 9.199 1.00 0.00 H ATOM 1946 N ARG A 129 19.432 10.909 9.377 1.00 32.37 N ATOM 1947 CA ARG A 129 19.850 9.721 8.638 1.00 32.13 C ATOM 1948 C ARG A 129 20.689 8.800 9.518 1.00 31.05 C ATOM 1949 O ARG A 129 21.607 9.266 10.186 1.00 30.22 O ATOM 1950 CB ARG A 129 20.621 10.116 7.390 1.00 31.02 C ATOM 1951 CG ARG A 129 19.676 10.517 6.255 1.00 33.47 C ATOM 1952 CD ARG A 129 20.408 11.405 5.268 1.00 36.51 C ATOM 1953 NE ARG A 129 21.091 10.722 4.158 1.00 37.56 N ATOM 1954 CZ ARG A 129 20.518 9.989 3.202 1.00 41.27 C ATOM 1955 NH1 ARG A 129 19.206 9.714 3.204 1.00 41.59 N ATOM 1956 NH2 ARG A 129 21.285 9.499 2.227 1.00 42.60 N ATOM 1957 HA ARG A 129 18.956 9.176 8.335 1.00 0.00 H ATOM 1958 HB2 ARG A 129 21.271 10.959 7.626 1.00 0.00 H ATOM 1959 HB3 ARG A 129 21.228 9.271 7.065 1.00 0.00 H ATOM 1960 HG2 ARG A 129 19.323 9.621 5.744 1.00 0.00 H ATOM 1961 HG3 ARG A 129 18.824 11.058 6.667 1.00 0.00 H ATOM 1962 HD2 ARG A 129 21.158 11.970 5.822 1.00 0.00 H ATOM 1963 HD3 ARG A 129 19.681 12.093 4.837 1.00 0.00 H ATOM 1964 HE ARG A 129 22.125 10.821 4.114 1.00 0.00 H ATOM 1965 HH12 ARG A 129 18.794 9.139 2.442 1.00 0.00 H ATOM 1966 HH11 ARG A 129 18.600 10.076 3.968 1.00 0.00 H ATOM 1967 HH22 ARG A 129 20.861 8.925 1.471 1.00 0.00 H ATOM 1968 HH21 ARG A 129 22.307 9.691 2.223 1.00 0.00 H ATOM 1969 H ARG A 129 20.154 11.496 9.841 1.00 0.00 H ATOM 1970 N VAL A 130 20.363 7.511 9.538 1.00 30.53 N ATOM 1971 CA VAL A 130 21.067 6.574 10.417 1.00 29.34 C ATOM 1972 C VAL A 130 21.947 5.629 9.604 1.00 28.83 C ATOM 1973 O VAL A 130 21.459 4.930 8.713 1.00 28.70 O ATOM 1974 CB VAL A 130 20.080 5.781 11.306 1.00 31.53 C ATOM 1975 CG1 VAL A 130 20.837 4.819 12.212 1.00 30.45 C ATOM 1976 CG2 VAL A 130 19.235 6.776 12.145 1.00 32.52 C ATOM 1977 HA VAL A 130 21.709 7.157 11.078 1.00 0.00 H ATOM 1978 HB VAL A 130 19.415 5.193 10.674 1.00 0.00 H ATOM 1979 HG11 VAL A 130 21.407 4.119 11.601 1.00 0.00 H ATOM 1980 HG12 VAL A 130 21.517 5.383 12.851 1.00 0.00 H ATOM 1981 HG13 VAL A 130 20.127 4.270 12.830 1.00 0.00 H ATOM 1982 HG21 VAL A 130 19.896 7.372 12.774 1.00 0.00 H ATOM 1983 HG22 VAL A 130 18.679 7.432 11.476 1.00 0.00 H ATOM 1984 HG23 VAL A 130 18.538 6.220 12.773 1.00 0.00 H ATOM 1985 H VAL A 130 19.600 7.164 8.923 1.00 0.00 H ATOM 1986 N TYR A 131 23.242 5.633 9.911 1.00 28.04 N ATOM 1987 CA TYR A 131 24.194 4.727 9.267 1.00 29.01 C ATOM 1988 C TYR A 131 24.686 3.665 10.233 1.00 30.41 C ATOM 1989 O TYR A 131 24.844 3.917 11.436 1.00 29.98 O ATOM 1990 CB TYR A 131 25.405 5.489 8.692 1.00 27.47 C ATOM 1991 CG TYR A 131 25.112 6.425 7.521 1.00 27.60 C ATOM 1992 CD1 TYR A 131 24.535 7.667 7.726 1.00 27.93 C ATOM 1993 CD2 TYR A 131 25.457 6.078 6.208 1.00 28.56 C ATOM 1994 CE1 TYR A 131 24.284 8.544 6.663 1.00 29.81 C ATOM 1995 CE2 TYR A 131 25.195 6.956 5.118 1.00 31.21 C ATOM 1996 CZ TYR A 131 24.614 8.171 5.364 1.00 32.09 C ATOM 1997 OH TYR A 131 24.344 9.024 4.322 1.00 38.18 O ATOM 1998 HA TYR A 131 23.660 4.246 8.448 1.00 0.00 H ATOM 1999 HB3 TYR A 131 26.134 4.752 8.356 1.00 0.00 H ATOM 2000 HB2 TYR A 131 25.837 6.085 9.496 1.00 0.00 H ATOM 2001 HD2 TYR A 131 25.935 5.117 6.017 1.00 0.00 H ATOM 2002 HE2 TYR A 131 25.454 6.664 4.100 1.00 0.00 H ATOM 2003 HE1 TYR A 131 23.831 9.517 6.853 1.00 0.00 H ATOM 2004 HD1 TYR A 131 24.270 7.970 8.739 1.00 0.00 H ATOM 2005 HH TYR A 131 25.187 9.250 3.855 1.00 0.00 H ATOM 2006 H TYR A 131 23.588 6.300 10.630 1.00 0.00 H ATOM 2007 N GLU A 132 24.938 2.476 9.687 1.00 32.21 N ATOM 2008 CA GLU A 132 25.560 1.396 10.417 1.00 34.38 C ATOM 2009 C GLU A 132 26.870 0.961 9.764 1.00 34.65 C ATOM 2010 O GLU A 132 27.045 1.065 8.548 1.00 34.29 O ATOM 2011 CB GLU A 132 24.615 0.204 10.523 1.00 36.31 C ATOM 2012 CG GLU A 132 23.485 0.434 11.483 1.00 39.31 C ATOM 2013 CD GLU A 132 22.624 -0.785 11.631 1.00 45.52 C ATOM 2014 OE1 GLU A 132 23.071 -1.741 12.290 1.00 46.46 O ATOM 2015 OE2 GLU A 132 21.505 -0.788 11.078 1.00 49.66 O ATOM 2016 HA GLU A 132 25.783 1.766 11.418 1.00 0.00 H ATOM 2017 HB2 GLU A 132 24.197 0.003 9.536 1.00 0.00 H ATOM 2018 HB3 GLU A 132 25.185 -0.662 10.858 1.00 0.00 H ATOM 2019 HG2 GLU A 132 23.897 0.696 12.458 1.00 0.00 H ATOM 2020 HG3 GLU A 132 22.872 1.257 11.116 1.00 0.00 H ATOM 2021 H GLU A 132 24.676 2.319 8.693 1.00 0.00 H ATOM 2022 N LYS A 133 27.774 0.475 10.601 1.00 35.57 N ATOM 2023 CA LYS A 133 29.127 0.120 10.211 1.00 37.55 C ATOM 2024 C LYS A 133 29.117 -1.161 9.363 1.00 38.98 C ATOM 2025 O LYS A 133 28.541 -2.168 9.752 1.00 40.76 O ATOM 2026 CB LYS A 133 29.968 -0.028 11.488 1.00 38.44 C ATOM 2027 CG LYS A 133 31.380 -0.672 11.349 1.00 43.60 C ATOM 2028 CD LYS A 133 32.414 0.260 10.665 1.00 43.96 C ATOM 2029 CE LYS A 133 32.469 1.663 11.277 1.00 42.47 C ATOM 2030 NZ LYS A 133 32.671 1.643 12.754 1.00 44.80 N ATOM 2031 HA LYS A 133 29.570 0.898 9.589 1.00 0.00 H ATOM 2032 HB2 LYS A 133 30.103 0.969 11.907 1.00 0.00 H ATOM 2033 HB3 LYS A 133 29.397 -0.640 12.186 1.00 0.00 H ATOM 2034 HG2 LYS A 133 31.746 -0.923 12.345 1.00 0.00 H ATOM 2035 HG3 LYS A 133 31.289 -1.582 10.756 1.00 0.00 H ATOM 2036 HD2 LYS A 133 33.401 -0.195 10.754 1.00 0.00 H ATOM 2037 HD3 LYS A 133 32.152 0.353 9.611 1.00 0.00 H ATOM 2038 HE2 LYS A 133 31.531 2.174 11.061 1.00 0.00 H ATOM 2039 HE3 LYS A 133 33.294 2.210 10.820 1.00 0.00 H ATOM 2040 HZ1 LYS A 133 31.885 1.131 13.203 1.00 0.00 H ATOM 2041 HZ2 LYS A 133 33.568 1.165 12.974 1.00 0.00 H ATOM 2042 HZ3 LYS A 133 32.700 2.619 13.112 1.00 0.00 H ATOM 2043 H LYS A 133 27.499 0.340 11.595 1.00 0.00 H ATOM 2044 N VAL A 134 29.721 -1.105 8.190 1.00 39.16 N ATOM 2045 CA VAL A 134 29.840 -2.277 7.320 1.00 41.60 C ATOM 2046 C VAL A 134 30.797 -3.276 7.964 1.00 44.72 C ATOM 2047 O VAL A 134 31.839 -2.878 8.462 1.00 45.37 O ATOM 2048 CB VAL A 134 30.295 -1.811 5.902 1.00 40.88 C ATOM 2049 CG1 VAL A 134 30.698 -2.953 5.010 1.00 43.15 C ATOM 2050 CG2 VAL A 134 29.177 -1.000 5.246 1.00 37.56 C ATOM 2051 HA VAL A 134 28.883 -2.785 7.197 1.00 0.00 H ATOM 2052 HB VAL A 134 31.182 -1.191 6.035 1.00 0.00 H ATOM 2053 HG11 VAL A 134 31.529 -3.492 5.465 1.00 0.00 H ATOM 2054 HG12 VAL A 134 29.852 -3.628 4.882 1.00 0.00 H ATOM 2055 HG13 VAL A 134 31.004 -2.563 4.039 1.00 0.00 H ATOM 2056 HG21 VAL A 134 28.285 -1.620 5.156 1.00 0.00 H ATOM 2057 HG22 VAL A 134 28.954 -0.128 5.861 1.00 0.00 H ATOM 2058 HG23 VAL A 134 29.498 -0.676 4.256 1.00 0.00 H ATOM 2059 H VAL A 134 30.125 -0.200 7.874 1.00 0.00 H ATOM 2060 N GLN A 135 30.442 -4.556 8.016 1.00 48.52 N ATOM 2061 CA GLN A 135 31.399 -5.561 8.542 1.00 52.79 C ATOM 2062 C GLN A 135 32.536 -5.754 7.540 1.00 54.41 C ATOM 2063 O GLN A 135 33.654 -6.080 7.930 1.00 57.25 O ATOM 2064 CB GLN A 135 30.764 -6.926 8.851 1.00 55.40 C ATOM 2065 CG GLN A 135 29.409 -6.887 9.506 1.00 56.13 C ATOM 2066 CD GLN A 135 29.469 -6.546 10.970 1.00 57.28 C ATOM 2067 OE1 GLN A 135 29.785 -5.417 11.353 1.00 55.82 O ATOM 2068 NE2 GLN A 135 29.126 -7.517 11.805 1.00 60.81 N ATOM 2069 HA GLN A 135 31.766 -5.166 9.489 1.00 0.00 H ATOM 2070 HB2 GLN A 135 30.666 -7.469 7.911 1.00 0.00 H ATOM 2071 HB3 GLN A 135 31.440 -7.467 9.513 1.00 0.00 H ATOM 2072 HG2 GLN A 135 28.801 -6.138 9.000 1.00 0.00 H ATOM 2073 HG3 GLN A 135 28.943 -7.866 9.397 1.00 0.00 H ATOM 2074 HE22 GLN A 135 28.867 -8.454 11.435 1.00 0.00 H ATOM 2075 HE21 GLN A 135 29.116 -7.342 12.830 1.00 0.00 H ATOM 2076 H GLN A 135 29.500 -4.851 7.690 1.00 0.00 H TER 2077 GLN A 135 HETATM 2078 O HOH 1 31.163 10.860 17.584 1.00 42.78 O HETATM 2079 O HOH 2 37.343 12.977 21.835 1.00 50.45 O HETATM 2080 O HOH 3 39.311 11.264 18.367 1.00 43.98 O HETATM 2081 O HOH 4 37.887 13.275 19.386 1.00 60.67 O HETATM 2082 O HOH 5 43.439 9.865 14.443 1.00 47.94 O HETATM 2083 O HOH 6 39.413 4.340 4.663 1.00 58.42 O HETATM 2084 O HOH 7 33.213 3.484 14.928 1.00 49.19 O HETATM 2085 O HOH 8 39.179 4.008 13.465 1.00 55.31 O HETATM 2086 O HOH 9 38.010 4.653 6.892 1.00 52.18 O HETATM 2087 O HOH 10 24.212 1.203 0.043 1.00 46.21 O HETATM 2088 O HOH 11 21.191 0.736 2.195 1.00 48.09 O HETATM 2089 O HOH 12 17.601 -0.644 6.735 1.00 46.75 O HETATM 2090 O HOH 13 19.381 1.497 11.747 1.00 43.79 O HETATM 2091 O HOH 14 14.117 5.024 6.546 1.00 47.91 O HETATM 2092 O HOH 15 13.938 10.469 4.105 1.00 38.92 O HETATM 2093 O HOH 16 15.835 8.213 10.667 1.00 53.68 O HETATM 2094 O HOH 17 43.769 10.603 5.976 1.00 46.97 O HETATM 2095 O HOH 18 11.565 12.506 2.933 1.00 54.66 O HETATM 2096 O HOH 19 29.530 15.080 1.801 1.00 47.96 O HETATM 2097 O HOH 20 34.812 2.356 -4.940 1.00 67.74 O HETATM 2098 O HOH 21 24.176 19.873 2.739 1.00 32.39 O HETATM 2099 O HOH 22 20.568 22.707 -4.499 1.00 43.47 O HETATM 2100 O HOH 23 16.302 17.223 -10.733 1.00 56.33 O HETATM 2101 O HOH 24 13.553 17.603 -11.761 1.00 65.35 O HETATM 2102 O HOH 25 11.555 19.662 -9.622 1.00 59.95 O HETATM 2103 O HOH 26 15.260 10.744 -11.127 1.00 65.86 O HETATM 2104 O HOH 27 28.904 25.625 12.945 1.00 34.12 O HETATM 2105 O HOH 28 19.764 8.286 0.126 1.00 33.95 O HETATM 2106 O HOH 29 17.008 7.855 1.511 1.00 52.96 O HETATM 2107 O HOH 30 23.809 4.149 -3.530 1.00 34.65 O HETATM 2108 O HOH 31 17.086 -0.017 -0.146 1.00 54.53 O HETATM 2109 O HOH 32 27.350 11.237 6.272 1.00 44.44 O HETATM 2110 O HOH 33 37.247 8.975 3.690 1.00 34.24 O HETATM 2111 O HOH 34 11.156 19.164 6.885 1.00 53.93 O HETATM 2112 O HOH 35 41.634 11.985 6.464 1.00 40.91 O HETATM 2113 O HOH 36 41.526 9.442 3.299 1.00 52.23 O HETATM 2114 O HOH 37 41.408 11.674 14.128 1.00 58.44 O HETATM 2115 O HOH 38 43.076 21.608 12.493 1.00 35.57 O HETATM 2116 O HOH 39 31.462 13.562 0.953 1.00 39.48 O HETATM 2117 O HOH 40 34.007 5.210 -5.133 1.00 51.89 O HETATM 2118 O HOH 41 35.971 6.915 -6.718 1.00 45.35 O HETATM 2119 O HOH 42 26.973 3.161 -11.687 1.00 51.83 O HETATM 2120 O HOH 43 31.190 13.438 -9.523 1.00 56.16 O HETATM 2121 O HOH 44 29.163 17.639 -7.087 1.00 54.16 O HETATM 2122 O HOH 45 32.479 13.957 -7.657 1.00 49.62 O HETATM 2123 O HOH 46 30.513 10.640 -9.262 1.00 48.75 O HETATM 2124 O HOH 47 27.095 13.993 -0.012 1.00 37.04 O HETATM 2125 O HOH 48 38.379 18.911 -0.156 1.00 31.05 O HETATM 2126 O HOH 49 40.193 22.486 5.873 1.00 23.42 O HETATM 2127 O HOH 50 37.110 22.580 8.341 1.00 22.87 O HETATM 2128 O HOH 51 41.023 24.219 4.064 1.00 48.04 O HETATM 2129 O HOH 52 37.683 28.935 1.956 1.00 47.53 O HETATM 2130 O HOH 53 39.599 30.494 4.875 1.00 46.68 O HETATM 2131 O HOH 54 39.525 25.532 -0.064 1.00 28.51 O HETATM 2132 O HOH 55 34.128 24.104 -4.285 1.00 45.10 O HETATM 2133 O HOH 56 33.125 26.304 -3.069 1.00 39.25 O HETATM 2134 O HOH 57 30.509 17.308 -0.418 1.00 43.53 O HETATM 2135 O HOH 58 27.407 16.707 -0.675 1.00 30.98 O HETATM 2136 O HOH 59 24.310 17.083 -8.910 1.00 67.89 O HETATM 2137 O HOH 60 26.260 18.698 1.488 1.00 43.55 O HETATM 2138 O HOH 61 26.166 27.501 -5.375 1.00 43.30 O HETATM 2139 O HOH 62 31.085 27.978 6.840 1.00 36.00 O HETATM 2140 O HOH 63 29.418 31.672 1.385 1.00 49.03 O HETATM 2141 O HOH 64 31.389 23.814 12.315 1.00 29.09 O HETATM 2142 O HOH 65 29.273 16.643 10.230 1.00 30.28 O HETATM 2143 O HOH 66 28.333 16.475 3.763 1.00 42.03 O HETATM 2144 O HOH 67 28.113 32.011 -1.904 1.00 49.29 O HETATM 2145 O HOH 68 25.648 36.519 0.200 1.00 64.61 O HETATM 2146 O HOH 69 27.504 33.233 2.248 1.00 51.33 O HETATM 2147 O HOH 70 19.723 29.412 5.060 1.00 38.58 O HETATM 2148 O HOH 71 19.563 27.317 7.940 1.00 43.03 O HETATM 2149 O HOH 72 22.641 19.672 11.964 1.00 39.19 O HETATM 2150 O HOH 73 22.624 26.405 10.001 1.00 40.29 O HETATM 2151 O HOH 74 26.355 25.347 12.550 1.00 41.23 O HETATM 2152 O HOH 75 24.192 13.933 14.518 1.00 33.45 O HETATM 2153 O HOH 76 21.572 4.912 17.612 1.00 30.92 O HETATM 2154 O HOH 77 25.209 6.207 22.740 1.00 52.65 O HETATM 2155 O HOH 78 27.886 4.466 20.755 1.00 46.55 O HETATM 2156 O HOH 79 26.420 0.418 21.767 1.00 56.45 O HETATM 2157 O HOH 80 26.952 0.465 13.393 1.00 32.82 O HETATM 2158 O HOH 81 19.220 -1.633 15.381 1.00 52.51 O HETATM 2159 O HOH 82 21.674 18.482 14.775 1.00 57.38 O HETATM 2160 O HOH 83 11.591 19.221 9.389 1.00 58.80 O HETATM 2161 O HOH 84 20.788 -2.744 13.571 1.00 48.80 O HETATM 2162 C1 A A 9 24.237 14.769 2.933 1.00 0.18 C HETATM 2163 O1 A A 9 25.225 15.285 3.457 1.00 -0.40 O HETATM 2164 C2 A A 9 23.731 15.218 1.564 1.00 0.04 C HETATM 2165 C3 A A 9 23.335 16.691 1.579 1.00 -0.04 C HETATM 2166 C4 A A 9 22.624 16.978 0.262 1.00 -0.05 C HETATM 2167 C5 A A 9 23.633 16.862 -0.878 1.00 -0.05 C HETATM 2168 C6 A A 9 23.158 16.179 -2.167 1.00 -0.05 C HETATM 2169 C7 A A 9 21.720 15.688 -2.211 1.00 -0.05 C HETATM 2170 C8 A A 9 21.546 14.788 -3.429 1.00 -0.05 C HETATM 2171 C9 A A 9 21.864 15.437 -4.775 1.00 -0.05 C HETATM 2172 C10 A A 9 21.672 14.537 -5.994 1.00 -0.05 C HETATM 2173 C11 A A 9 22.948 14.534 -6.839 1.00 -0.05 C HETATM 2174 C12 A A 9 23.467 13.159 -7.289 1.00 -0.05 C HETATM 2175 C13 A A 9 22.641 11.941 -6.855 1.00 -0.05 C HETATM 2176 C14 A A 9 23.284 11.210 -5.669 1.00 -0.05 C HETATM 2177 C15 A A 9 24.135 12.053 -4.710 1.00 -0.05 C HETATM 2178 C16 A A 9 24.745 11.285 -3.532 1.00 -0.05 C HETATM 2179 C17 A A 9 23.641 10.865 -2.539 1.00 -0.05 C HETATM 2180 C18 A A 9 23.448 11.912 -1.427 1.00 -0.05 C HETATM 2181 C19 A A 9 24.510 11.725 -0.335 1.00 -0.06 C HETATM 2182 C20 A A 9 23.935 10.940 0.852 1.00 -0.07 C HETATM 2183 H37 A A 9 24.712 10.818 1.621 1.00 0.02 H HETATM 2184 H38 A A 9 23.600 9.950 0.509 1.00 0.02 H HETATM 2185 H39 A A 9 23.082 11.489 1.276 1.00 0.02 H HETATM 2186 H35 A A 9 24.847 12.712 0.014 1.00 0.03 H HETATM 2187 H36 A A 9 25.365 11.173 -0.753 1.00 0.03 H HETATM 2188 H33 A A 9 22.448 11.793 -0.985 1.00 0.03 H HETATM 2189 H34 A A 9 23.542 12.920 -1.857 1.00 0.03 H HETATM 2190 H31 A A 9 23.920 9.905 -2.080 1.00 0.03 H HETATM 2191 H32 A A 9 22.694 10.748 -3.087 1.00 0.03 H HETATM 2192 H29 A A 9 25.472 11.929 -3.016 1.00 0.03 H HETATM 2193 H30 A A 9 25.255 10.386 -3.909 1.00 0.03 H HETATM 2194 H27 A A 9 23.498 12.852 -4.302 1.00 0.03 H HETATM 2195 H28 A A 9 24.958 12.499 -5.288 1.00 0.03 H HETATM 2196 H25 A A 9 23.930 10.419 -6.077 1.00 0.03 H HETATM 2197 H26 A A 9 22.474 10.755 -5.081 1.00 0.03 H HETATM 2198 H23 A A 9 22.562 11.244 -7.702 1.00 0.03 H HETATM 2199 H24 A A 9 21.636 12.278 -6.563 1.00 0.03 H HETATM 2200 H21 A A 9 24.482 13.036 -6.884 1.00 0.03 H HETATM 2201 H22 A A 9 23.508 13.161 -8.388 1.00 0.03 H HETATM 2202 H19 A A 9 23.742 15.014 -6.248 1.00 0.03 H HETATM 2203 H20 A A 9 22.752 15.130 -7.743 1.00 0.03 H HETATM 2204 H17 A A 9 20.834 14.914 -6.599 1.00 0.03 H HETATM 2205 H18 A A 9 21.452 13.512 -5.661 1.00 0.03 H HETATM 2206 H15 A A 9 22.914 15.763 -4.755 1.00 0.03 H HETATM 2207 H16 A A 9 21.210 16.313 -4.893 1.00 0.03 H HETATM 2208 H13 A A 9 20.500 14.450 -3.454 1.00 0.03 H HETATM 2209 H14 A A 9 22.209 13.919 -3.306 1.00 0.03 H HETATM 2210 H11 A A 9 21.038 16.548 -2.286 1.00 0.03 H HETATM 2211 H12 A A 9 21.495 15.120 -1.296 1.00 0.03 H HETATM 2212 H9 A A 9 23.809 15.309 -2.338 1.00 0.03 H HETATM 2213 H10 A A 9 23.286 16.900 -2.988 1.00 0.03 H HETATM 2214 H7 A A 9 24.495 16.293 -0.500 1.00 0.03 H HETATM 2215 H8 A A 9 23.953 17.881 -1.142 1.00 0.03 H HETATM 2216 H5 A A 9 22.205 17.995 0.282 1.00 0.03 H HETATM 2217 H6 A A 9 21.813 16.250 0.113 1.00 0.03 H HETATM 2218 H3 A A 9 24.232 17.322 1.669 1.00 0.03 H HETATM 2219 H4 A A 9 22.660 16.891 2.424 1.00 0.03 H HETATM 2220 H1 A A 9 22.854 14.613 1.289 1.00 0.05 H HETATM 2221 H2 A A 9 24.527 15.068 0.820 1.00 0.05 H HETATM 2222 NAX A A 9 23.527 13.762 3.458 1.00 -0.28 N HETATM 2223 C23 A A 9 23.811 13.179 4.763 1.00 0.05 C HETATM 2224 C22 A A 9 24.225 11.752 4.519 1.00 0.06 C HETATM 2225 OAC A A 9 25.583 11.804 4.127 1.00 -0.39 O HETATM 2226 H44 A A 9 26.097 12.198 4.822 1.00 0.21 H HETATM 2227 H40 A A 9 23.613 11.307 3.720 1.00 0.06 H HETATM 2228 H41 A A 9 24.115 11.159 5.439 1.00 0.06 H HETATM 2229 H42 A A 9 24.625 13.731 5.256 1.00 0.05 H HETATM 2230 H43 A A 9 22.912 13.210 5.396 1.00 0.05 H HETATM 2231 H45 A A 9 22.764 13.392 2.928 1.00 0.19 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 2162 2163 2164 2222 CONECT 2163 2162 CONECT 2164 2162 2165 2220 2221 CONECT 2165 2164 2166 2218 2219 CONECT 2166 2165 2167 2216 2217 CONECT 2167 2166 2168 2214 2215 CONECT 2168 2167 2169 2212 2213 CONECT 2169 2168 2170 2210 2211 CONECT 2170 2169 2171 2208 2209 CONECT 2171 2170 2172 2206 2207 CONECT 2172 2171 2173 2204 2205 CONECT 2173 2172 2174 2202 2203 CONECT 2174 2173 2175 2200 2201 CONECT 2175 2174 2176 2198 2199 CONECT 2176 2175 2177 2196 2197 CONECT 2177 2176 2178 2194 2195 CONECT 2178 2177 2179 2192 2193 CONECT 2179 2178 2180 2190 2191 CONECT 2180 2179 2181 2188 2189 CONECT 2181 2180 2182 2186 2187 CONECT 2182 2181 2183 2184 2185 CONECT 2183 2182 CONECT 2184 2182 CONECT 2185 2182 CONECT 2186 2181 CONECT 2187 2181 CONECT 2188 2180 CONECT 2189 2180 CONECT 2190 2179 CONECT 2191 2179 CONECT 2192 2178 CONECT 2193 2178 CONECT 2194 2177 CONECT 2195 2177 CONECT 2196 2176 CONECT 2197 2176 CONECT 2198 2175 CONECT 2199 2175 CONECT 2200 2174 CONECT 2201 2174 CONECT 2202 2173 CONECT 2203 2173 CONECT 2204 2172 CONECT 2205 2172 CONECT 2206 2171 CONECT 2207 2171 CONECT 2208 2170 CONECT 2209 2170 CONECT 2210 2169 CONECT 2211 2169 CONECT 2212 2168 CONECT 2213 2168 CONECT 2214 2167 CONECT 2215 2167 CONECT 2216 2166 CONECT 2217 2166 CONECT 2218 2165 CONECT 2219 2165 CONECT 2220 2164 CONECT 2221 2164 CONECT 2222 2162 2223 2231 CONECT 2223 2222 2224 2229 2230 CONECT 2224 2223 2225 2227 2228 CONECT 2225 2224 2226 CONECT 2226 2225 CONECT 2227 2224 CONECT 2228 2224 CONECT 2229 2223 CONECT 2230 2223 CONECT 2231 2222 MASTER 0 0 0 0 0 0 0 0 2230 1 74 11 END
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Related entries of code: 4azp
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
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Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
4azp
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
FATTY ACID-BINDING PROTEIN, EPIDERMAL
Ligand Name
A9M
EC.Number
E.C.-.-.-.-
Resolution
2.1(Å)
Affinity (Kd/Ki/IC50)
IC50=1.26uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2014) Acta Crystallogr.,Sect.D Vol. 70: pp. 290
Ligand Properties
Formula
C
2
2
H
4
5
NO
2
Molecular Weight
355.598
Exact Mass
355.345
No. of atoms
70
No. of bonds
69
Polar Surface Area
49.33
LOGP Value
8.35 (
Computed with XLOGP3
)
6.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 22
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCCO
InChI String
InChI=1S/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h24H,2-21H2,1H3,(H,23,25)
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):
Q05816
Entrez Gene ID
NCBI Entrez Gene ID:
16592
ASD
Information of known allosteric effects of PDB entries
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