Browse entries in the PDBbind-CN Database
HEADER 5FSO_COMPLEX COMPND 5FSO_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 154 ALA SER ARG LEU TYR THR LEU VAL LEU VAL LEU GLN PRO SEQRES 2 A 154 GLN ARG VAL LEU LEU GLY MET LYS LYS ARG GLY PHE GLY SEQRES 3 A 154 ALA GLY ARG TRP ASN GLY PHE GLY GLY LYS VAL GLN GLU SEQRES 4 A 154 GLY GLU THR ILE GLU ASP GLY ALA ARG ARG GLU LEU GLN SEQRES 5 A 154 GLU GLU SER GLY LEU THR VAL ASP ALA LEU HIS LYS VAL SEQRES 6 A 154 GLY GLN ILE VAL PHE GLU PHE VAL GLY GLU PRO GLU LEU SEQRES 7 A 154 MET ASP VAL HIS VAL PHE CYS THR ASP SER ILE GLN GLY SEQRES 8 A 154 THR PRO VAL GLU SER ASP GLU MET ARG PRO CYS TRP PHE SEQRES 9 A 154 GLN LEU ASP GLN ILE PRO PHE LYS ASP MET TRP PRO ASP SEQRES 10 A 154 ASP SER TYR TRP PHE PRO LEU LEU LEU GLN LYS LYS LYS SEQRES 11 A 154 PHE HIS GLY TYR PHE LYS PHE GLN GLY GLN ASP THR ILE SEQRES 12 A 154 LEU ASP TYR THR LEU ARG GLU VAL ASP THR VAL HET S A 76 17 ATOM 1 N ALA A 3 12.818 39.526 2.121 1.00 28.53 N ATOM 2 CA ALA A 3 12.097 38.627 1.226 1.00 28.00 C ATOM 3 C ALA A 3 12.252 37.148 1.671 1.00 26.73 C ATOM 4 O ALA A 3 12.879 36.356 0.961 1.00 24.96 O ATOM 5 CB ALA A 3 12.608 38.807 -0.198 1.00 29.72 C ATOM 6 HN3 ALA A 3 13.829 39.282 2.115 1.00 0.00 H ATOM 7 HN2 ALA A 3 12.442 39.428 3.086 1.00 0.00 H ATOM 8 HN1 ALA A 3 12.695 40.507 1.798 1.00 0.00 H ATOM 9 N SER A 4 11.701 36.780 2.853 1.00 21.25 N ATOM 10 CA SER A 4 11.816 35.395 3.335 1.00 19.38 C ATOM 11 C SER A 4 10.451 34.730 3.550 1.00 19.78 C ATOM 12 O SER A 4 9.475 35.429 3.819 1.00 20.21 O ATOM 13 CB SER A 4 12.684 35.312 4.587 1.00 24.63 C ATOM 14 OG SER A 4 12.025 35.792 5.745 1.00 33.73 O ATOM 15 HG SER A 4 11.209 35.254 5.906 1.00 0.00 H ATOM 16 H SER A 4 11.192 37.484 3.425 1.00 0.00 H ATOM 17 N ARG A 5 10.380 33.401 3.376 1.00 13.99 N ATOM 18 CA ARG A 5 9.160 32.601 3.562 1.00 11.93 C ATOM 19 C ARG A 5 9.373 31.629 4.713 1.00 13.27 C ATOM 20 O ARG A 5 10.382 30.926 4.743 1.00 10.32 O ATOM 21 CB ARG A 5 8.838 31.792 2.286 1.00 13.93 C ATOM 22 CG ARG A 5 7.463 31.083 2.334 1.00 14.90 C ATOM 23 CD ARG A 5 6.475 31.820 1.476 1.00 24.50 C ATOM 24 NE ARG A 5 5.126 31.247 1.502 1.00 43.80 N ATOM 25 CZ ARG A 5 4.507 30.729 0.441 1.00 58.71 C ATOM 26 NH1 ARG A 5 5.126 30.660 -0.733 1.00 40.40 N ATOM 27 NH2 ARG A 5 3.264 30.272 0.549 1.00 41.10 N ATOM 28 HE ARG A 5 4.618 31.244 2.409 1.00 0.00 H ATOM 29 HH12 ARG A 5 4.636 30.254 -1.556 1.00 0.00 H ATOM 30 HH11 ARG A 5 6.100 31.012 -0.829 1.00 0.00 H ATOM 31 HH22 ARG A 5 2.784 29.869 -0.281 1.00 0.00 H ATOM 32 HH21 ARG A 5 2.771 30.318 1.463 1.00 0.00 H ATOM 33 H ARG A 5 11.247 32.903 3.090 1.00 0.00 H ATOM 34 N LEU A 6 8.395 31.544 5.625 1.00 7.64 N ATOM 35 CA LEU A 6 8.527 30.669 6.788 1.00 7.38 C ATOM 36 C LEU A 6 8.339 29.218 6.440 1.00 11.28 C ATOM 37 O LEU A 6 7.437 28.868 5.674 1.00 12.09 O ATOM 38 CB LEU A 6 7.459 31.029 7.835 1.00 7.47 C ATOM 39 CG LEU A 6 7.643 32.345 8.575 1.00 12.45 C ATOM 40 CD1 LEU A 6 6.401 32.670 9.377 1.00 13.23 C ATOM 41 CD2 LEU A 6 8.876 32.291 9.511 1.00 11.50 C ATOM 42 H LEU A 6 7.530 32.109 5.504 1.00 0.00 H ATOM 43 N TYR A 7 9.188 28.371 7.016 1.00 6.97 N ATOM 44 CA TYR A 7 9.026 26.922 6.934 1.00 6.56 C ATOM 45 C TYR A 7 9.287 26.357 8.317 1.00 8.77 C ATOM 46 O TYR A 7 9.944 26.996 9.147 1.00 9.48 O ATOM 47 CB TYR A 7 10.043 26.291 5.980 1.00 6.68 C ATOM 48 CG TYR A 7 9.768 26.641 4.534 1.00 8.04 C ATOM 49 CD1 TYR A 7 10.223 27.841 3.988 1.00 8.51 C ATOM 50 CD2 TYR A 7 9.114 25.747 3.694 1.00 10.07 C ATOM 51 CE1 TYR A 7 9.977 28.168 2.650 1.00 9.33 C ATOM 52 CE2 TYR A 7 8.836 26.073 2.364 1.00 11.34 C ATOM 53 CZ TYR A 7 9.296 27.271 1.840 1.00 12.83 C ATOM 54 OH TYR A 7 9.061 27.590 0.520 1.00 16.28 O ATOM 55 HH TYR A 7 9.457 28.475 0.320 1.00 0.00 H ATOM 56 H TYR A 7 9.997 28.755 7.544 1.00 0.00 H ATOM 57 N THR A 8 8.819 25.134 8.536 1.00 6.68 N ATOM 58 CA THR A 8 9.091 24.387 9.763 1.00 5.96 C ATOM 59 C THR A 8 9.886 23.141 9.402 1.00 8.36 C ATOM 60 O THR A 8 9.854 22.699 8.257 1.00 6.70 O ATOM 61 CB THR A 8 7.782 23.986 10.468 1.00 9.94 C ATOM 62 OG1 THR A 8 6.971 23.234 9.569 1.00 7.86 O ATOM 63 CG2 THR A 8 7.024 25.199 11.025 1.00 10.03 C ATOM 64 HG1 THR A 8 6.763 23.786 8.774 1.00 0.00 H ATOM 65 H THR A 8 8.233 24.687 7.802 1.00 0.00 H ATOM 66 N LEU A 9 10.600 22.592 10.383 1.00 6.19 N ATOM 67 CA LEU A 9 11.345 21.343 10.251 1.00 5.71 C ATOM 68 C LEU A 9 11.371 20.735 11.624 1.00 8.75 C ATOM 69 O LEU A 9 11.886 21.355 12.564 1.00 8.11 O ATOM 70 CB LEU A 9 12.761 21.627 9.737 1.00 5.23 C ATOM 71 CG LEU A 9 13.616 20.397 9.336 1.00 10.10 C ATOM 72 CD1 LEU A 9 12.929 19.578 8.284 1.00 11.43 C ATOM 73 CD2 LEU A 9 14.983 20.872 8.798 1.00 9.92 C ATOM 74 H LEU A 9 10.629 23.083 11.299 1.00 0.00 H ATOM 75 N VAL A 10 10.825 19.516 11.750 1.00 6.88 N ATOM 76 CA VAL A 10 10.676 18.796 13.032 1.00 6.16 C ATOM 77 C VAL A 10 11.467 17.507 13.002 1.00 9.91 C ATOM 78 O VAL A 10 11.271 16.668 12.107 1.00 8.00 O ATOM 79 CB VAL A 10 9.176 18.484 13.339 1.00 9.69 C ATOM 80 CG1 VAL A 10 9.012 17.705 14.662 1.00 9.94 C ATOM 81 CG2 VAL A 10 8.330 19.768 13.351 1.00 10.38 C ATOM 82 H VAL A 10 10.484 19.046 10.887 1.00 0.00 H ATOM 83 N LEU A 11 12.314 17.333 14.017 1.00 6.44 N ATOM 84 CA LEU A 11 13.085 16.117 14.198 1.00 6.94 C ATOM 85 C LEU A 11 12.575 15.410 15.452 1.00 9.98 C ATOM 86 O LEU A 11 12.648 15.956 16.560 1.00 8.83 O ATOM 87 CB LEU A 11 14.593 16.432 14.377 1.00 7.92 C ATOM 88 CG LEU A 11 15.429 16.810 13.130 1.00 14.06 C ATOM 89 CD1 LEU A 11 15.275 15.770 12.028 1.00 14.99 C ATOM 90 CD2 LEU A 11 15.130 18.224 12.652 1.00 18.64 C ATOM 91 H LEU A 11 12.427 18.102 14.708 1.00 0.00 H ATOM 92 N VAL A 12 12.072 14.191 15.278 1.00 6.71 N ATOM 93 CA VAL A 12 11.622 13.351 16.379 1.00 8.00 C ATOM 94 C VAL A 12 12.898 12.628 16.794 1.00 10.92 C ATOM 95 O VAL A 12 13.363 11.688 16.126 1.00 8.77 O ATOM 96 CB VAL A 12 10.511 12.368 15.919 1.00 12.58 C ATOM 97 CG1 VAL A 12 10.148 11.394 17.041 1.00 13.50 C ATOM 98 CG2 VAL A 12 9.277 13.146 15.462 1.00 12.41 C ATOM 99 H VAL A 12 11.997 13.820 14.309 1.00 0.00 H ATOM 100 N LEU A 13 13.495 13.133 17.855 1.00 10.36 N ATOM 101 CA LEU A 13 14.789 12.673 18.328 1.00 10.81 C ATOM 102 C LEU A 13 14.665 12.059 19.694 1.00 15.32 C ATOM 103 O LEU A 13 14.328 12.735 20.672 1.00 15.34 O ATOM 104 CB LEU A 13 15.802 13.862 18.326 1.00 11.03 C ATOM 105 CG LEU A 13 17.214 13.560 18.837 1.00 14.89 C ATOM 106 CD1 LEU A 13 17.920 12.533 17.964 1.00 14.43 C ATOM 107 CD2 LEU A 13 18.045 14.825 18.902 1.00 12.22 C ATOM 108 H LEU A 13 13.018 13.895 18.377 1.00 0.00 H ATOM 109 N GLN A 14 14.908 10.760 19.744 1.00 11.13 N ATOM 110 CA GLN A 14 14.844 9.962 20.943 1.00 11.32 C ATOM 111 C GLN A 14 16.283 9.630 21.378 1.00 16.06 C ATOM 112 O GLN A 14 17.216 9.903 20.615 1.00 15.21 O ATOM 113 CB GLN A 14 13.957 8.719 20.706 1.00 13.28 C ATOM 114 CG GLN A 14 12.498 9.111 20.425 1.00 13.77 C ATOM 115 CD GLN A 14 11.593 7.934 20.119 1.00 20.89 C ATOM 116 OE1 GLN A 14 12.040 6.837 19.800 1.00 19.36 O ATOM 117 NE2 GLN A 14 10.283 8.150 20.198 1.00 19.74 N ATOM 118 HE22 GLN A 14 9.926 9.088 20.470 1.00 0.00 H ATOM 119 HE21 GLN A 14 9.616 7.381 19.987 1.00 0.00 H ATOM 120 H GLN A 14 15.163 10.281 18.857 1.00 0.00 H ATOM 121 N PRO A 15 16.519 9.095 22.581 1.00 15.90 N ATOM 122 CA PRO A 15 17.910 8.897 23.030 1.00 16.81 C ATOM 123 C PRO A 15 18.826 8.066 22.127 1.00 22.35 C ATOM 124 O PRO A 15 20.000 8.414 22.026 1.00 23.49 O ATOM 125 CB PRO A 15 17.738 8.252 24.400 1.00 19.66 C ATOM 126 CG PRO A 15 16.459 8.833 24.895 1.00 24.21 C ATOM 127 CD PRO A 15 15.576 8.775 23.675 1.00 19.31 C ATOM 128 N GLN A 16 18.312 7.029 21.438 1.00 18.47 N ATOM 129 CA GLN A 16 19.176 6.205 20.575 1.00 17.85 C ATOM 130 C GLN A 16 18.842 6.335 19.095 1.00 17.67 C ATOM 131 O GLN A 16 19.552 5.776 18.259 1.00 15.76 O ATOM 132 CB GLN A 16 19.095 4.717 20.975 1.00 20.00 C ATOM 133 H GLN A 16 17.299 6.809 21.516 1.00 0.00 H ATOM 134 N ARG A 17 17.768 7.058 18.754 1.00 10.81 N ATOM 135 CA ARG A 17 17.382 7.102 17.339 1.00 8.96 C ATOM 136 C ARG A 17 16.654 8.374 16.958 1.00 11.26 C ATOM 137 O ARG A 17 16.087 9.065 17.818 1.00 10.44 O ATOM 138 CB ARG A 17 16.479 5.908 17.028 1.00 10.46 C ATOM 139 CG ARG A 17 15.222 5.874 17.857 1.00 12.95 C ATOM 140 CD ARG A 17 14.451 4.620 17.585 1.00 21.57 C ATOM 141 NE ARG A 17 13.109 4.722 18.136 1.00 18.49 N ATOM 142 CZ ARG A 17 12.135 3.856 17.885 1.00 25.49 C ATOM 143 NH1 ARG A 17 12.346 2.826 17.076 1.00 21.77 N ATOM 144 NH2 ARG A 17 10.940 4.021 18.428 1.00 17.72 N ATOM 145 HE ARG A 17 12.900 5.523 18.766 1.00 0.00 H ATOM 146 HH12 ARG A 17 11.579 2.151 16.883 1.00 0.00 H ATOM 147 HH11 ARG A 17 13.278 2.694 16.635 1.00 0.00 H ATOM 148 HH22 ARG A 17 10.180 3.340 18.229 1.00 0.00 H ATOM 149 HH21 ARG A 17 10.761 4.832 19.054 1.00 0.00 H ATOM 150 H ARG A 17 17.222 7.575 19.473 1.00 0.00 H ATOM 151 N VAL A 18 16.600 8.629 15.640 1.00 8.49 N ATOM 152 CA VAL A 18 15.907 9.785 15.074 1.00 6.67 C ATOM 153 C VAL A 18 15.027 9.309 13.918 1.00 9.08 C ATOM 154 O VAL A 18 15.410 8.380 13.186 1.00 9.14 O ATOM 155 CB VAL A 18 16.917 10.886 14.625 1.00 9.41 C ATOM 156 CG1 VAL A 18 17.882 10.354 13.539 1.00 8.56 C ATOM 157 CG2 VAL A 18 16.183 12.138 14.142 1.00 9.12 C ATOM 158 H VAL A 18 17.075 7.971 14.990 1.00 0.00 H ATOM 159 N LEU A 19 13.842 9.887 13.796 1.00 6.42 N ATOM 160 CA LEU A 19 12.917 9.540 12.710 1.00 6.41 C ATOM 161 C LEU A 19 13.141 10.479 11.512 1.00 8.51 C ATOM 162 O LEU A 19 13.180 11.698 11.677 1.00 9.00 O ATOM 163 CB LEU A 19 11.457 9.653 13.175 1.00 6.96 C ATOM 164 CG LEU A 19 10.397 9.220 12.135 1.00 10.37 C ATOM 165 CD1 LEU A 19 10.427 7.711 11.885 1.00 10.61 C ATOM 166 CD2 LEU A 19 9.004 9.586 12.607 1.00 10.25 C ATOM 167 H LEU A 19 13.558 10.608 14.490 1.00 0.00 H ATOM 168 N LEU A 20 13.365 9.917 10.330 1.00 7.01 N ATOM 169 CA LEU A 20 13.526 10.735 9.121 1.00 5.68 C ATOM 170 C LEU A 20 12.541 10.193 8.107 1.00 10.82 C ATOM 171 O LEU A 20 12.137 9.023 8.183 1.00 10.73 O ATOM 172 CB LEU A 20 14.961 10.711 8.538 1.00 6.10 C ATOM 173 CG LEU A 20 16.041 11.196 9.534 1.00 7.77 C ATOM 174 CD1 LEU A 20 17.440 10.897 9.001 1.00 8.00 C ATOM 175 CD2 LEU A 20 15.893 12.681 9.770 1.00 7.24 C ATOM 176 H LEU A 20 13.427 8.881 10.259 1.00 0.00 H ATOM 177 N GLY A 21 12.188 11.031 7.156 1.00 6.89 N ATOM 178 CA GLY A 21 11.252 10.629 6.122 1.00 7.81 C ATOM 179 C GLY A 21 11.815 10.902 4.744 1.00 11.70 C ATOM 180 O GLY A 21 12.433 11.951 4.495 1.00 10.24 O ATOM 181 H GLY A 21 12.584 11.993 7.145 1.00 0.00 H ATOM 182 N MET A 22 11.647 9.921 3.868 1.00 10.21 N ATOM 183 CA MET A 22 12.107 9.995 2.475 1.00 10.24 C ATOM 184 C MET A 22 10.953 10.586 1.646 1.00 13.45 C ATOM 185 O MET A 22 9.903 9.961 1.498 1.00 11.42 O ATOM 186 CB MET A 22 12.494 8.573 2.000 1.00 13.34 C ATOM 187 CG MET A 22 12.729 8.431 0.518 1.00 18.25 C ATOM 188 SD MET A 22 14.057 9.453 -0.140 1.00 20.53 S ATOM 189 CE MET A 22 15.552 8.784 0.746 1.00 17.14 C ATOM 190 H MET A 22 11.165 9.055 4.183 1.00 0.00 H ATOM 191 N LYS A 23 11.148 11.808 1.143 1.00 11.79 N ATOM 192 CA LYS A 23 10.165 12.504 0.330 1.00 12.95 C ATOM 193 C LYS A 23 10.119 11.900 -1.049 1.00 18.21 C ATOM 194 O LYS A 23 11.150 11.740 -1.698 1.00 18.69 O ATOM 195 CB LYS A 23 10.483 14.013 0.269 1.00 17.65 C ATOM 196 CG LYS A 23 9.287 14.805 -0.213 1.00 23.92 C ATOM 197 CD LYS A 23 9.410 16.272 0.175 1.00 36.75 C ATOM 198 CE LYS A 23 8.154 17.062 -0.097 1.00 50.05 C ATOM 199 NZ LYS A 23 7.024 16.641 0.784 1.00 65.81 N ATOM 200 HZ1 LYS A 23 6.816 15.635 0.622 1.00 0.00 H ATOM 201 HZ2 LYS A 23 7.289 16.786 1.779 1.00 0.00 H ATOM 202 HZ3 LYS A 23 6.182 17.210 0.562 1.00 0.00 H ATOM 203 H LYS A 23 12.050 12.286 1.344 1.00 0.00 H ATOM 204 N LYS A 24 8.921 11.572 -1.500 1.00 15.74 N ATOM 205 CA LYS A 24 8.732 10.895 -2.762 1.00 17.08 C ATOM 206 C LYS A 24 8.679 11.856 -3.981 1.00 22.65 C ATOM 207 O LYS A 24 9.184 11.488 -5.036 1.00 23.93 O ATOM 208 CB LYS A 24 7.526 9.961 -2.655 1.00 20.66 C ATOM 209 CG LYS A 24 7.813 8.865 -1.598 1.00 32.85 C ATOM 210 CD LYS A 24 6.910 7.657 -1.691 1.00 35.12 C ATOM 211 CE LYS A 24 6.732 6.976 -0.355 1.00 21.13 C ATOM 212 NZ LYS A 24 5.760 5.859 -0.462 1.00 37.30 N ATOM 213 HZ1 LYS A 24 4.841 6.230 -0.776 1.00 0.00 H ATOM 214 HZ2 LYS A 24 6.108 5.163 -1.152 1.00 0.00 H ATOM 215 HZ3 LYS A 24 5.652 5.405 0.467 1.00 0.00 H ATOM 216 H LYS A 24 8.086 11.809 -0.927 1.00 0.00 H ATOM 217 N ARG A 25 8.166 13.090 -3.819 1.00 20.46 N ATOM 218 CA ARG A 25 8.114 14.071 -4.908 1.00 20.76 C ATOM 219 C ARG A 25 8.249 15.512 -4.385 1.00 24.15 C ATOM 220 O ARG A 25 8.192 15.761 -3.176 1.00 20.56 O ATOM 221 CB ARG A 25 6.832 13.891 -5.766 1.00 21.06 C ATOM 222 H ARG A 25 7.792 13.358 -2.886 1.00 0.00 H ATOM 223 N GLY A 26 8.449 16.442 -5.306 1.00 22.71 N ATOM 224 CA GLY A 26 8.555 17.848 -4.956 1.00 23.01 C ATOM 225 C GLY A 26 9.935 18.233 -4.480 1.00 26.10 C ATOM 226 O GLY A 26 10.925 17.562 -4.786 1.00 25.63 O ATOM 227 H GLY A 26 8.532 16.159 -6.303 1.00 0.00 H ATOM 228 N PHE A 27 9.998 19.344 -3.753 1.00 22.42 N ATOM 229 CA PHE A 27 11.241 19.917 -3.258 1.00 21.21 C ATOM 230 C PHE A 27 11.926 19.007 -2.238 1.00 22.08 C ATOM 231 O PHE A 27 11.331 18.658 -1.233 1.00 19.61 O ATOM 232 CB PHE A 27 10.987 21.320 -2.715 1.00 23.83 C ATOM 233 CG PHE A 27 12.264 22.090 -2.498 1.00 26.58 C ATOM 234 CD1 PHE A 27 12.948 22.648 -3.571 1.00 31.09 C ATOM 235 CD2 PHE A 27 12.798 22.228 -1.229 1.00 28.11 C ATOM 236 CE1 PHE A 27 14.143 23.331 -3.370 1.00 32.26 C ATOM 237 CE2 PHE A 27 13.985 22.928 -1.032 1.00 30.72 C ATOM 238 CZ PHE A 27 14.650 23.463 -2.102 1.00 29.51 C ATOM 239 H PHE A 27 9.108 19.832 -3.525 1.00 0.00 H ATOM 240 N GLY A 28 13.137 18.577 -2.566 1.00 20.52 N ATOM 241 CA GLY A 28 13.906 17.674 -1.722 1.00 19.45 C ATOM 242 C GLY A 28 13.584 16.201 -1.900 1.00 19.74 C ATOM 243 O GLY A 28 14.061 15.381 -1.113 1.00 16.75 O ATOM 244 H GLY A 28 13.554 18.898 -3.463 1.00 0.00 H ATOM 245 N ALA A 29 12.794 15.828 -2.939 1.00 17.03 N ATOM 246 CA ALA A 29 12.486 14.411 -3.182 1.00 17.47 C ATOM 247 C ALA A 29 13.762 13.585 -3.308 1.00 19.39 C ATOM 248 O ALA A 29 14.772 14.076 -3.825 1.00 17.36 O ATOM 249 CB ALA A 29 11.652 14.258 -4.447 1.00 18.22 C ATOM 250 H ALA A 29 12.401 16.554 -3.572 1.00 0.00 H ATOM 251 N GLY A 30 13.723 12.356 -2.813 1.00 15.56 N ATOM 252 CA GLY A 30 14.885 11.476 -2.876 1.00 15.68 C ATOM 253 C GLY A 30 15.872 11.654 -1.728 1.00 18.12 C ATOM 254 O GLY A 30 16.900 10.970 -1.689 1.00 17.45 O ATOM 255 H GLY A 30 12.847 12.012 -2.371 1.00 0.00 H ATOM 256 N ARG A 31 15.553 12.536 -0.746 1.00 13.23 N ATOM 257 CA ARG A 31 16.426 12.745 0.411 1.00 12.08 C ATOM 258 C ARG A 31 15.691 12.461 1.698 1.00 12.80 C ATOM 259 O ARG A 31 14.513 12.802 1.794 1.00 12.50 O ATOM 260 CB ARG A 31 16.902 14.215 0.470 1.00 11.88 C ATOM 261 CG ARG A 31 18.031 14.468 -0.496 1.00 13.82 C ATOM 262 CD ARG A 31 18.419 15.919 -0.638 1.00 20.81 C ATOM 263 NE ARG A 31 19.735 15.992 -1.297 1.00 18.05 N ATOM 264 CZ ARG A 31 20.251 17.075 -1.860 1.00 22.09 C ATOM 265 NH1 ARG A 31 19.564 18.208 -1.883 1.00 13.59 N ATOM 266 NH2 ARG A 31 21.442 17.028 -2.437 1.00 22.26 N ATOM 267 HE ARG A 31 20.305 15.123 -1.322 1.00 0.00 H ATOM 268 HH12 ARG A 31 19.973 19.055 -2.326 1.00 0.00 H ATOM 269 HH11 ARG A 31 18.616 18.250 -1.458 1.00 0.00 H ATOM 270 HH22 ARG A 31 21.841 17.882 -2.877 1.00 0.00 H ATOM 271 HH21 ARG A 31 21.979 16.137 -2.450 1.00 0.00 H ATOM 272 H ARG A 31 14.667 13.076 -0.817 1.00 0.00 H ATOM 273 N TRP A 32 16.397 11.917 2.705 1.00 9.00 N ATOM 274 CA TRP A 32 15.854 11.721 4.056 1.00 7.16 C ATOM 275 C TRP A 32 15.859 13.103 4.673 1.00 9.76 C ATOM 276 O TRP A 32 16.800 13.876 4.456 1.00 9.82 O ATOM 277 CB TRP A 32 16.759 10.798 4.884 1.00 6.60 C ATOM 278 CG TRP A 32 16.774 9.397 4.365 1.00 8.70 C ATOM 279 CD1 TRP A 32 17.770 8.796 3.652 1.00 12.54 C ATOM 280 CD2 TRP A 32 15.738 8.411 4.524 1.00 8.15 C ATOM 281 NE1 TRP A 32 17.418 7.501 3.340 1.00 11.99 N ATOM 282 CE2 TRP A 32 16.183 7.230 3.882 1.00 12.36 C ATOM 283 CE3 TRP A 32 14.510 8.389 5.209 1.00 9.04 C ATOM 284 CZ2 TRP A 32 15.409 6.060 3.842 1.00 12.31 C ATOM 285 CZ3 TRP A 32 13.736 7.229 5.159 1.00 10.65 C ATOM 286 CH2 TRP A 32 14.180 6.094 4.470 1.00 11.24 C ATOM 287 HE1 TRP A 32 17.993 6.836 2.785 1.00 0.00 H ATOM 288 H TRP A 32 17.376 11.620 2.518 1.00 0.00 H ATOM 289 N ASN A 33 14.834 13.414 5.433 1.00 6.99 N ATOM 290 CA ASN A 33 14.671 14.756 5.989 1.00 7.58 C ATOM 291 C ASN A 33 13.750 14.714 7.218 1.00 10.38 C ATOM 292 O ASN A 33 13.031 13.732 7.443 1.00 8.51 O ATOM 293 CB ASN A 33 14.052 15.630 4.870 1.00 8.63 C ATOM 294 CG ASN A 33 14.018 17.118 5.104 1.00 16.54 C ATOM 295 OD1 ASN A 33 14.583 17.642 6.057 1.00 9.51 O ATOM 296 ND2 ASN A 33 13.424 17.832 4.169 1.00 12.86 N ATOM 297 HD22 ASN A 33 12.953 17.357 3.373 1.00 0.00 H ATOM 298 HD21 ASN A 33 13.426 18.870 4.228 1.00 0.00 H ATOM 299 H ASN A 33 14.121 12.687 5.644 1.00 0.00 H ATOM 300 N GLY A 34 13.757 15.799 7.982 1.00 7.40 N ATOM 301 CA GLY A 34 12.792 15.995 9.061 1.00 7.74 C ATOM 302 C GLY A 34 11.467 16.337 8.392 1.00 9.97 C ATOM 303 O GLY A 34 11.380 16.381 7.150 1.00 9.61 O ATOM 304 H GLY A 34 14.472 16.533 7.807 1.00 0.00 H ATOM 305 N PHE A 35 10.420 16.569 9.199 1.00 7.11 N ATOM 306 CA PHE A 35 9.063 16.807 8.710 1.00 6.28 C ATOM 307 C PHE A 35 8.706 18.273 8.829 1.00 9.41 C ATOM 308 O PHE A 35 8.934 18.860 9.875 1.00 9.49 O ATOM 309 CB PHE A 35 8.035 15.945 9.503 1.00 7.13 C ATOM 310 CG PHE A 35 8.373 14.470 9.403 1.00 8.75 C ATOM 311 CD1 PHE A 35 8.115 13.761 8.235 1.00 10.55 C ATOM 312 CD2 PHE A 35 9.070 13.829 10.426 1.00 10.39 C ATOM 313 CE1 PHE A 35 8.488 12.410 8.122 1.00 10.93 C ATOM 314 CE2 PHE A 35 9.472 12.493 10.296 1.00 12.13 C ATOM 315 CZ PHE A 35 9.163 11.792 9.153 1.00 10.66 C ATOM 316 H PHE A 35 10.583 16.580 10.226 1.00 0.00 H ATOM 317 N GLY A 36 8.109 18.832 7.780 1.00 8.12 N ATOM 318 CA GLY A 36 7.765 20.247 7.837 1.00 8.20 C ATOM 319 C GLY A 36 7.227 20.794 6.537 1.00 12.29 C ATOM 320 O GLY A 36 7.032 20.069 5.552 1.00 13.33 O ATOM 321 H GLY A 36 7.891 18.269 6.933 1.00 0.00 H ATOM 322 N GLY A 37 7.007 22.093 6.533 1.00 7.00 N ATOM 323 CA GLY A 37 6.491 22.745 5.340 1.00 6.35 C ATOM 324 C GLY A 37 6.150 24.178 5.646 1.00 8.86 C ATOM 325 O GLY A 37 6.625 24.735 6.642 1.00 7.57 O ATOM 326 H GLY A 37 7.203 22.654 7.386 1.00 0.00 H ATOM 327 N LYS A 38 5.321 24.780 4.796 1.00 7.10 N ATOM 328 CA LYS A 38 4.978 26.191 4.942 1.00 8.05 C ATOM 329 C LYS A 38 4.035 26.412 6.138 1.00 12.55 C ATOM 330 O LYS A 38 3.390 25.476 6.616 1.00 11.95 O ATOM 331 CB LYS A 38 4.342 26.699 3.631 1.00 10.33 C ATOM 332 CG LYS A 38 5.339 26.768 2.491 1.00 14.06 C ATOM 333 CD LYS A 38 4.643 27.056 1.162 1.00 26.47 C ATOM 334 CE LYS A 38 5.496 26.621 -0.010 1.00 39.74 C ATOM 335 NZ LYS A 38 4.773 26.737 -1.304 1.00 49.27 N ATOM 336 HZ1 LYS A 38 3.924 26.136 -1.281 1.00 0.00 H ATOM 337 HZ2 LYS A 38 4.494 27.727 -1.456 1.00 0.00 H ATOM 338 HZ3 LYS A 38 5.397 26.428 -2.077 1.00 0.00 H ATOM 339 H LYS A 38 4.910 24.234 4.012 1.00 0.00 H ATOM 340 N VAL A 39 4.062 27.636 6.676 1.00 11.22 N ATOM 341 CA VAL A 39 3.236 28.061 7.813 1.00 10.73 C ATOM 342 C VAL A 39 2.033 28.827 7.206 1.00 13.26 C ATOM 343 O VAL A 39 2.210 29.643 6.299 1.00 14.53 O ATOM 344 CB VAL A 39 4.036 28.928 8.843 1.00 12.97 C ATOM 345 CG1 VAL A 39 3.131 29.368 10.001 1.00 13.35 C ATOM 346 CG2 VAL A 39 5.257 28.165 9.407 1.00 11.37 C ATOM 347 H VAL A 39 4.712 28.334 6.261 1.00 0.00 H ATOM 348 N GLN A 40 0.823 28.545 7.684 1.00 10.30 N ATOM 349 CA GLN A 40 -0.376 29.159 7.130 1.00 10.80 C ATOM 350 C GLN A 40 -0.601 30.557 7.669 1.00 12.84 C ATOM 351 O GLN A 40 -0.047 30.929 8.708 1.00 10.92 O ATOM 352 CB GLN A 40 -1.609 28.281 7.400 1.00 13.72 C ATOM 353 CG GLN A 40 -1.616 27.006 6.550 1.00 30.46 C ATOM 354 CD GLN A 40 -2.641 25.972 6.957 1.00 40.13 C ATOM 355 OE1 GLN A 40 -3.479 26.166 7.855 1.00 28.30 O ATOM 356 NE2 GLN A 40 -2.544 24.814 6.330 1.00 35.91 N ATOM 357 HE22 GLN A 40 -1.832 24.685 5.583 1.00 0.00 H ATOM 358 HE21 GLN A 40 -3.180 24.031 6.583 1.00 0.00 H ATOM 359 H GLN A 40 0.732 27.871 8.471 1.00 0.00 H ATOM 360 N GLU A 41 -1.454 31.318 6.972 1.00 10.68 N ATOM 361 CA GLU A 41 -1.868 32.644 7.419 1.00 10.09 C ATOM 362 C GLU A 41 -2.674 32.432 8.714 1.00 15.11 C ATOM 363 O GLU A 41 -3.474 31.487 8.801 1.00 14.29 O ATOM 364 CB GLU A 41 -2.754 33.276 6.330 1.00 11.26 C ATOM 365 CG GLU A 41 -1.962 33.532 5.043 1.00 15.47 C ATOM 366 CD GLU A 41 -2.751 34.103 3.887 1.00 28.07 C ATOM 367 OE1 GLU A 41 -3.999 34.075 3.960 1.00 25.73 O ATOM 368 OE2 GLU A 41 -2.127 34.605 2.919 1.00 22.09 O ATOM 369 H GLU A 41 -1.836 30.950 6.078 1.00 0.00 H ATOM 370 N GLY A 42 -2.409 33.259 9.723 1.00 12.21 N ATOM 371 CA GLY A 42 -3.080 33.170 11.013 1.00 12.46 C ATOM 372 C GLY A 42 -2.663 31.981 11.871 1.00 15.43 C ATOM 373 O GLY A 42 -3.299 31.724 12.895 1.00 16.17 O ATOM 374 H GLY A 42 -1.693 34.000 9.584 1.00 0.00 H ATOM 375 N GLU A 43 -1.621 31.239 11.463 1.00 11.88 N ATOM 376 CA GLU A 43 -1.155 30.069 12.196 1.00 12.24 C ATOM 377 C GLU A 43 0.198 30.405 12.851 1.00 13.98 C ATOM 378 O GLU A 43 1.041 31.021 12.196 1.00 13.04 O ATOM 379 CB GLU A 43 -0.977 28.905 11.202 1.00 14.20 C ATOM 380 CG GLU A 43 -0.483 27.612 11.811 1.00 18.65 C ATOM 381 CD GLU A 43 -0.305 26.496 10.804 1.00 10.26 C ATOM 382 OE1 GLU A 43 0.440 26.674 9.811 1.00 10.55 O ATOM 383 OE2 GLU A 43 -0.846 25.399 11.069 1.00 13.88 O ATOM 384 H GLU A 43 -1.127 31.510 10.589 1.00 0.00 H ATOM 385 N THR A 44 0.421 29.972 14.105 1.00 10.68 N ATOM 386 CA THR A 44 1.742 30.205 14.706 1.00 10.83 C ATOM 387 C THR A 44 2.732 29.215 14.095 1.00 11.59 C ATOM 388 O THR A 44 2.343 28.138 13.622 1.00 11.94 O ATOM 389 CB THR A 44 1.730 30.026 16.246 1.00 16.43 C ATOM 390 OG1 THR A 44 1.552 28.649 16.546 1.00 16.90 O ATOM 391 CG2 THR A 44 0.657 30.866 16.948 1.00 20.10 C ATOM 392 HG1 THR A 44 1.543 28.525 17.528 1.00 0.00 H ATOM 393 H THR A 44 -0.326 29.483 14.638 1.00 0.00 H ATOM 394 N ILE A 45 4.017 29.542 14.171 1.00 8.32 N ATOM 395 CA ILE A 45 5.064 28.671 13.632 1.00 7.28 C ATOM 396 C ILE A 45 4.997 27.308 14.321 1.00 11.62 C ATOM 397 O ILE A 45 5.083 26.285 13.632 1.00 10.53 O ATOM 398 CB ILE A 45 6.460 29.331 13.729 1.00 9.87 C ATOM 399 CG1 ILE A 45 6.511 30.622 12.855 1.00 10.88 C ATOM 400 CG2 ILE A 45 7.549 28.335 13.246 1.00 10.75 C ATOM 401 CD1 ILE A 45 7.696 31.509 13.149 1.00 13.14 C ATOM 402 H ILE A 45 4.286 30.438 14.624 1.00 0.00 H ATOM 403 N GLU A 46 4.829 27.296 15.679 1.00 9.94 N ATOM 404 CA GLU A 46 4.748 26.031 16.424 1.00 10.43 C ATOM 405 C GLU A 46 3.540 25.193 15.997 1.00 12.14 C ATOM 406 O GLU A 46 3.669 23.975 15.823 1.00 9.96 O ATOM 407 CB GLU A 46 4.727 26.276 17.946 1.00 13.04 C ATOM 408 CG GLU A 46 4.970 24.986 18.724 1.00 20.58 C ATOM 409 CD GLU A 46 4.812 25.141 20.222 1.00 40.72 C ATOM 410 OE1 GLU A 46 5.460 26.047 20.791 1.00 31.01 O ATOM 411 OE2 GLU A 46 4.016 24.383 20.821 1.00 45.87 O ATOM 412 H GLU A 46 4.757 28.197 16.193 1.00 0.00 H ATOM 413 N ASP A 47 2.372 25.841 15.794 1.00 10.68 N ATOM 414 CA ASP A 47 1.198 25.082 15.372 1.00 10.86 C ATOM 415 C ASP A 47 1.431 24.536 13.967 1.00 11.70 C ATOM 416 O ASP A 47 0.975 23.431 13.667 1.00 10.31 O ATOM 417 CB ASP A 47 -0.070 25.928 15.434 1.00 12.70 C ATOM 418 CG ASP A 47 -0.501 26.228 16.859 1.00 21.61 C ATOM 419 OD1 ASP A 47 0.061 25.617 17.801 1.00 20.36 O ATOM 420 OD2 ASP A 47 -1.378 27.046 17.029 1.00 19.71 O ATOM 421 H ASP A 47 2.310 26.869 15.937 1.00 0.00 H ATOM 422 N GLY A 48 2.112 25.317 13.129 1.00 10.22 N ATOM 423 CA GLY A 48 2.458 24.881 11.777 1.00 9.99 C ATOM 424 C GLY A 48 3.358 23.655 11.801 1.00 11.59 C ATOM 425 O GLY A 48 3.176 22.724 11.012 1.00 9.50 O ATOM 426 H GLY A 48 2.406 26.263 13.446 1.00 0.00 H ATOM 427 N ALA A 49 4.328 23.642 12.733 1.00 9.29 N ATOM 428 CA ALA A 49 5.258 22.527 12.921 1.00 8.30 C ATOM 429 C ALA A 49 4.512 21.256 13.367 1.00 10.98 C ATOM 430 O ALA A 49 4.733 20.183 12.795 1.00 12.14 O ATOM 431 CB ALA A 49 6.329 22.922 13.932 1.00 9.11 C ATOM 432 H ALA A 49 4.423 24.470 13.355 1.00 0.00 H ATOM 433 N ARG A 50 3.566 21.396 14.336 1.00 7.67 N ATOM 434 CA ARG A 50 2.766 20.276 14.848 1.00 7.30 C ATOM 435 C ARG A 50 1.887 19.704 13.708 1.00 9.63 C ATOM 436 O ARG A 50 1.844 18.490 13.485 1.00 8.78 O ATOM 437 CB ARG A 50 1.938 20.808 16.029 1.00 12.05 C ATOM 438 CG ARG A 50 1.088 19.791 16.759 1.00 24.42 C ATOM 439 CD ARG A 50 0.504 20.418 18.017 1.00 32.03 C ATOM 440 NE ARG A 50 1.510 20.569 19.074 1.00 35.60 N ATOM 441 CZ ARG A 50 2.007 21.730 19.482 1.00 44.27 C ATOM 442 NH1 ARG A 50 1.592 22.866 18.936 1.00 33.37 N ATOM 443 NH2 ARG A 50 2.906 21.766 20.458 1.00 33.14 N ATOM 444 HE ARG A 50 1.858 19.705 19.536 1.00 0.00 H ATOM 445 HH12 ARG A 50 1.985 23.773 19.260 1.00 0.00 H ATOM 446 HH11 ARG A 50 0.874 22.850 18.184 1.00 0.00 H ATOM 447 HH22 ARG A 50 3.293 22.678 20.775 1.00 0.00 H ATOM 448 HH21 ARG A 50 3.223 20.882 20.906 1.00 0.00 H ATOM 449 H ARG A 50 3.402 22.343 14.733 1.00 0.00 H ATOM 450 N ARG A 51 1.246 20.600 12.957 1.00 6.84 N ATOM 451 CA ARG A 51 0.360 20.229 11.844 1.00 7.39 C ATOM 452 C ARG A 51 1.133 19.481 10.781 1.00 11.18 C ATOM 453 O ARG A 51 0.714 18.400 10.392 1.00 11.09 O ATOM 454 CB ARG A 51 -0.345 21.465 11.259 1.00 9.92 C ATOM 455 CG ARG A 51 -1.152 21.173 10.002 1.00 13.04 C ATOM 456 CD ARG A 51 -1.717 22.427 9.352 1.00 14.34 C ATOM 457 NE ARG A 51 -0.703 23.464 9.139 1.00 11.72 N ATOM 458 CZ ARG A 51 0.167 23.491 8.139 1.00 17.65 C ATOM 459 NH1 ARG A 51 0.172 22.534 7.222 1.00 13.96 N ATOM 460 NH2 ARG A 51 1.056 24.474 8.058 1.00 11.72 N ATOM 461 HE ARG A 51 -0.663 24.242 9.828 1.00 0.00 H ATOM 462 HH12 ARG A 51 0.859 22.565 6.442 1.00 0.00 H ATOM 463 HH11 ARG A 51 -0.511 21.752 7.283 1.00 0.00 H ATOM 464 HH22 ARG A 51 1.738 24.495 7.273 1.00 0.00 H ATOM 465 HH21 ARG A 51 1.070 25.223 8.779 1.00 0.00 H ATOM 466 H ARG A 51 1.379 21.609 13.169 1.00 0.00 H ATOM 467 N GLU A 52 2.300 20.018 10.358 1.00 8.60 N ATOM 468 CA GLU A 52 3.099 19.356 9.319 1.00 10.03 C ATOM 469 C GLU A 52 3.630 17.988 9.756 1.00 13.34 C ATOM 470 O GLU A 52 3.696 17.069 8.939 1.00 14.03 O ATOM 471 CB GLU A 52 4.245 20.262 8.860 1.00 11.69 C ATOM 472 CG GLU A 52 3.771 21.384 7.948 1.00 12.56 C ATOM 473 CD GLU A 52 3.416 21.059 6.505 1.00 21.66 C ATOM 474 OE1 GLU A 52 3.519 19.882 6.092 1.00 21.24 O ATOM 475 OE2 GLU A 52 3.046 22.008 5.778 1.00 29.44 O ATOM 476 H GLU A 52 2.635 20.910 10.774 1.00 0.00 H ATOM 477 N LEU A 53 4.041 17.862 11.031 1.00 10.40 N ATOM 478 CA LEU A 53 4.511 16.575 11.541 1.00 8.64 C ATOM 479 C LEU A 53 3.408 15.516 11.365 1.00 11.87 C ATOM 480 O LEU A 53 3.680 14.441 10.858 1.00 13.66 O ATOM 481 CB LEU A 53 4.985 16.650 12.990 1.00 7.87 C ATOM 482 CG LEU A 53 5.455 15.297 13.559 1.00 12.38 C ATOM 483 CD1 LEU A 53 6.819 14.866 12.954 1.00 11.94 C ATOM 484 CD2 LEU A 53 5.592 15.362 15.063 1.00 13.56 C ATOM 485 H LEU A 53 4.024 18.689 11.661 1.00 0.00 H ATOM 486 N GLN A 54 2.165 15.867 11.676 1.00 10.93 N ATOM 487 CA GLN A 54 1.043 14.935 11.539 1.00 11.55 C ATOM 488 C GLN A 54 0.749 14.632 10.085 1.00 16.57 C ATOM 489 O GLN A 54 0.647 13.466 9.725 1.00 18.20 O ATOM 490 CB GLN A 54 -0.182 15.434 12.285 1.00 14.25 C ATOM 491 CG GLN A 54 -1.278 14.349 12.413 1.00 33.99 C ATOM 492 CD GLN A 54 -2.139 14.216 11.181 1.00 61.11 C ATOM 493 OE1 GLN A 54 -2.798 15.166 10.745 1.00 60.50 O ATOM 494 NE2 GLN A 54 -2.107 13.039 10.567 1.00 52.63 N ATOM 495 HE22 GLN A 54 -1.541 12.261 10.963 1.00 0.00 H ATOM 496 HE21 GLN A 54 -2.648 12.895 9.690 1.00 0.00 H ATOM 497 H GLN A 54 1.984 16.829 12.026 1.00 0.00 H ATOM 498 N GLU A 55 0.652 15.659 9.242 1.00 15.19 N ATOM 499 CA GLU A 55 0.367 15.487 7.804 1.00 13.69 C ATOM 500 C GLU A 55 1.389 14.601 7.101 1.00 16.87 C ATOM 501 O GLU A 55 1.032 13.769 6.266 1.00 17.38 O ATOM 502 CB GLU A 55 0.350 16.853 7.119 1.00 15.00 C ATOM 503 CG GLU A 55 -0.810 17.763 7.467 1.00 21.51 C ATOM 504 CD GLU A 55 -0.825 19.029 6.626 1.00 28.81 C ATOM 505 OE1 GLU A 55 -0.120 19.063 5.591 1.00 32.36 O ATOM 506 OE2 GLU A 55 -1.580 19.965 6.970 1.00 23.19 O ATOM 507 H GLU A 55 0.783 16.622 9.613 1.00 0.00 H ATOM 508 N GLU A 56 2.679 14.778 7.440 1.00 10.53 N ATOM 509 CA GLU A 56 3.758 14.082 6.763 1.00 10.30 C ATOM 510 C GLU A 56 4.159 12.744 7.379 1.00 15.84 C ATOM 511 O GLU A 56 4.623 11.845 6.660 1.00 14.62 O ATOM 512 CB GLU A 56 4.971 15.002 6.672 1.00 11.16 C ATOM 513 CG GLU A 56 4.796 16.167 5.721 1.00 15.96 C ATOM 514 CD GLU A 56 6.093 16.819 5.286 1.00 34.43 C ATOM 515 OE1 GLU A 56 7.106 16.700 6.017 1.00 16.00 O ATOM 516 OE2 GLU A 56 6.100 17.446 4.201 1.00 26.49 O ATOM 517 H GLU A 56 2.911 15.435 8.212 1.00 0.00 H ATOM 518 N SER A 57 4.064 12.635 8.713 1.00 12.74 N ATOM 519 CA SER A 57 4.497 11.420 9.420 1.00 12.91 C ATOM 520 C SER A 57 3.374 10.622 10.103 1.00 16.51 C ATOM 521 O SER A 57 3.615 9.491 10.484 1.00 16.25 O ATOM 522 CB SER A 57 5.562 11.767 10.453 1.00 12.25 C ATOM 523 OG SER A 57 4.939 12.248 11.632 1.00 14.13 O ATOM 524 HG SER A 57 4.410 13.057 11.418 1.00 0.00 H ATOM 525 H SER A 57 3.675 13.429 9.260 1.00 0.00 H ATOM 526 N GLY A 58 2.211 11.227 10.309 1.00 13.94 N ATOM 527 CA GLY A 58 1.093 10.590 11.009 1.00 14.87 C ATOM 528 C GLY A 58 1.226 10.645 12.526 1.00 16.53 C ATOM 529 O GLY A 58 0.374 10.128 13.244 1.00 16.05 O ATOM 530 H GLY A 58 2.088 12.198 9.957 1.00 0.00 H ATOM 531 N LEU A 59 2.309 11.262 13.040 1.00 12.79 N ATOM 532 CA LEU A 59 2.545 11.323 14.485 1.00 11.74 C ATOM 533 C LEU A 59 1.936 12.567 15.093 1.00 16.41 C ATOM 534 O LEU A 59 1.964 13.658 14.489 1.00 16.44 O ATOM 535 CB LEU A 59 4.049 11.316 14.815 1.00 11.17 C ATOM 536 CG LEU A 59 4.883 10.112 14.408 1.00 14.48 C ATOM 537 CD1 LEU A 59 6.357 10.359 14.744 1.00 14.71 C ATOM 538 CD2 LEU A 59 4.416 8.848 15.131 1.00 16.49 C ATOM 539 H LEU A 59 2.994 11.706 12.395 1.00 0.00 H ATOM 540 N THR A 60 1.453 12.419 16.331 1.00 12.76 N ATOM 541 CA THR A 60 0.935 13.535 17.108 1.00 12.95 C ATOM 542 C THR A 60 2.021 13.948 18.113 1.00 16.74 C ATOM 543 O THR A 60 2.433 13.144 18.941 1.00 15.43 O ATOM 544 CB THR A 60 -0.365 13.121 17.825 1.00 14.61 C ATOM 545 OG1 THR A 60 -1.344 12.805 16.832 1.00 14.09 O ATOM 546 CG2 THR A 60 -0.899 14.216 18.737 1.00 16.64 C ATOM 547 HG1 THR A 60 -2.187 12.536 17.275 1.00 0.00 H ATOM 548 H THR A 60 1.447 11.469 16.755 1.00 0.00 H ATOM 549 N VAL A 61 2.484 15.190 18.047 1.00 16.28 N ATOM 550 CA VAL A 61 3.484 15.649 19.020 1.00 16.18 C ATOM 551 C VAL A 61 2.808 16.371 20.174 1.00 25.52 C ATOM 552 O VAL A 61 1.892 17.167 19.968 1.00 25.00 O ATOM 553 CB VAL A 61 4.639 16.473 18.397 1.00 18.52 C ATOM 554 CG1 VAL A 61 4.116 17.627 17.561 1.00 18.40 C ATOM 555 CG2 VAL A 61 5.606 16.984 19.468 1.00 17.89 C ATOM 556 H VAL A 61 2.140 15.836 17.309 1.00 0.00 H ATOM 557 N ASP A 62 3.273 16.078 21.387 1.00 26.29 N ATOM 558 CA ASP A 62 2.812 16.718 22.601 1.00 27.54 C ATOM 559 C ASP A 62 3.727 17.938 22.805 1.00 31.64 C ATOM 560 O ASP A 62 3.383 19.042 22.372 1.00 33.50 O ATOM 561 CB ASP A 62 2.867 15.726 23.776 1.00 29.98 C ATOM 562 H ASP A 62 4.009 15.348 21.467 1.00 0.00 H ATOM 563 N ALA A 63 4.929 17.728 23.348 1.00 24.45 N ATOM 564 CA ALA A 63 5.840 18.841 23.596 1.00 23.68 C ATOM 565 C ALA A 63 6.801 19.044 22.416 1.00 23.49 C ATOM 566 O ALA A 63 7.428 18.067 22.002 1.00 23.75 O ATOM 567 CB ALA A 63 6.626 18.582 24.879 1.00 24.81 C ATOM 568 H ALA A 63 5.219 16.761 23.597 1.00 0.00 H ATOM 569 N LEU A 64 6.904 20.288 21.893 1.00 19.71 N ATOM 570 CA LEU A 64 7.846 20.682 20.811 1.00 19.35 C ATOM 571 C LEU A 64 8.845 21.693 21.384 1.00 21.49 C ATOM 572 O LEU A 64 8.439 22.622 22.083 1.00 23.28 O ATOM 573 CB LEU A 64 7.133 21.360 19.608 1.00 19.92 C ATOM 574 CG LEU A 64 6.689 20.511 18.417 1.00 23.42 C ATOM 575 CD1 LEU A 64 5.971 21.364 17.386 1.00 24.52 C ATOM 576 CD2 LEU A 64 7.845 19.799 17.759 1.00 22.23 C ATOM 577 H LEU A 64 6.277 21.024 22.276 1.00 0.00 H ATOM 578 N HIS A 65 10.133 21.527 21.088 1.00 12.53 N ATOM 579 CA HIS A 65 11.143 22.456 21.553 1.00 13.64 C ATOM 580 C HIS A 65 11.824 23.129 20.362 1.00 13.84 C ATOM 581 O HIS A 65 12.281 22.460 19.448 1.00 11.54 O ATOM 582 CB HIS A 65 12.142 21.747 22.489 1.00 16.29 C ATOM 583 CG HIS A 65 11.442 21.000 23.593 1.00 21.83 C ATOM 584 ND1 HIS A 65 11.019 21.640 24.737 1.00 24.85 N ATOM 585 CD2 HIS A 65 11.016 19.712 23.633 1.00 25.18 C ATOM 586 CE1 HIS A 65 10.368 20.730 25.446 1.00 25.50 C ATOM 587 NE2 HIS A 65 10.359 19.549 24.824 1.00 26.04 N ATOM 588 H HIS A 65 10.420 20.712 20.510 1.00 0.00 H ATOM 589 N LYS A 66 11.931 24.462 20.394 1.00 11.64 N ATOM 590 CA LYS A 66 12.657 25.202 19.348 1.00 13.18 C ATOM 591 C LYS A 66 14.146 24.883 19.517 1.00 14.07 C ATOM 592 O LYS A 66 14.679 25.005 20.627 1.00 16.19 O ATOM 593 CB LYS A 66 12.506 26.729 19.542 1.00 17.57 C ATOM 594 CG LYS A 66 11.092 27.260 19.476 1.00 23.39 C ATOM 595 CD LYS A 66 11.052 28.770 19.789 1.00 27.83 C ATOM 596 CE LYS A 66 11.156 29.136 21.265 1.00 35.84 C ATOM 597 NZ LYS A 66 10.163 28.426 22.116 1.00 45.91 N ATOM 598 HZ1 LYS A 66 9.202 28.666 21.799 1.00 0.00 H ATOM 599 HZ2 LYS A 66 10.310 27.400 22.035 1.00 0.00 H ATOM 600 HZ3 LYS A 66 10.286 28.718 23.107 1.00 0.00 H ATOM 601 H LYS A 66 11.491 24.988 21.176 1.00 0.00 H ATOM 602 N VAL A 67 14.807 24.473 18.433 1.00 8.16 N ATOM 603 CA VAL A 67 16.234 24.167 18.483 1.00 9.60 C ATOM 604 C VAL A 67 17.073 24.979 17.504 1.00 10.14 C ATOM 605 O VAL A 67 18.256 25.192 17.747 1.00 9.17 O ATOM 606 CB VAL A 67 16.547 22.676 18.385 1.00 14.18 C ATOM 607 CG1 VAL A 67 15.918 21.948 19.558 1.00 14.61 C ATOM 608 CG2 VAL A 67 16.099 22.095 17.058 1.00 13.40 C ATOM 609 H VAL A 67 14.295 24.369 17.534 1.00 0.00 H ATOM 610 N GLY A 68 16.466 25.501 16.463 1.00 8.10 N ATOM 611 CA GLY A 68 17.273 26.306 15.564 1.00 8.22 C ATOM 612 C GLY A 68 16.511 27.142 14.573 1.00 9.06 C ATOM 613 O GLY A 68 15.304 26.981 14.392 1.00 7.86 O ATOM 614 H GLY A 68 15.452 25.345 16.290 1.00 0.00 H ATOM 615 N GLN A 69 17.238 28.040 13.933 1.00 6.12 N ATOM 616 CA GLN A 69 16.707 28.837 12.827 1.00 6.83 C ATOM 617 C GLN A 69 17.768 28.809 11.737 1.00 10.50 C ATOM 618 O GLN A 69 18.943 29.091 11.996 1.00 10.36 O ATOM 619 CB GLN A 69 16.373 30.270 13.264 1.00 8.80 C ATOM 620 CG GLN A 69 15.685 31.089 12.158 1.00 15.83 C ATOM 621 CD GLN A 69 15.520 32.562 12.498 1.00 34.61 C ATOM 622 OE1 GLN A 69 16.209 33.128 13.363 1.00 30.95 O ATOM 623 NE2 GLN A 69 14.632 33.232 11.779 1.00 19.84 N ATOM 624 HE22 GLN A 69 14.066 32.738 11.060 1.00 0.00 H ATOM 625 HE21 GLN A 69 14.501 34.252 11.933 1.00 0.00 H ATOM 626 H GLN A 69 18.225 28.186 14.226 1.00 0.00 H ATOM 627 N ILE A 70 17.375 28.416 10.528 1.00 5.47 N ATOM 628 CA ILE A 70 18.337 28.353 9.422 1.00 5.49 C ATOM 629 C ILE A 70 17.731 29.045 8.246 1.00 9.69 C ATOM 630 O ILE A 70 16.650 28.621 7.784 1.00 10.03 O ATOM 631 CB ILE A 70 18.761 26.912 8.989 1.00 8.70 C ATOM 632 CG1 ILE A 70 19.182 26.020 10.165 1.00 10.96 C ATOM 633 CG2 ILE A 70 19.908 26.992 7.950 1.00 10.55 C ATOM 634 CD1 ILE A 70 19.160 24.499 9.836 1.00 16.99 C ATOM 635 H ILE A 70 16.382 28.152 10.366 1.00 0.00 H ATOM 636 N VAL A 71 18.476 30.004 7.674 1.00 5.88 N ATOM 637 CA VAL A 71 18.016 30.670 6.456 1.00 6.95 C ATOM 638 C VAL A 71 18.698 30.037 5.248 1.00 9.85 C ATOM 639 O VAL A 71 19.927 29.901 5.244 1.00 9.62 O ATOM 640 CB VAL A 71 18.249 32.196 6.484 1.00 10.80 C ATOM 641 CG1 VAL A 71 17.960 32.813 5.107 1.00 10.26 C ATOM 642 CG2 VAL A 71 17.401 32.851 7.558 1.00 10.00 C ATOM 643 H VAL A 71 19.386 30.275 8.099 1.00 0.00 H ATOM 644 N PHE A 72 17.912 29.604 4.245 1.00 6.17 N ATOM 645 CA PHE A 72 18.506 29.056 3.028 1.00 5.32 C ATOM 646 C PHE A 72 18.287 30.005 1.870 1.00 9.76 C ATOM 647 O PHE A 72 17.173 30.460 1.612 1.00 8.59 O ATOM 648 CB PHE A 72 17.897 27.706 2.646 1.00 6.57 C ATOM 649 CG PHE A 72 18.154 26.632 3.662 1.00 5.44 C ATOM 650 CD1 PHE A 72 19.389 25.987 3.720 1.00 8.73 C ATOM 651 CD2 PHE A 72 17.179 26.278 4.581 1.00 7.23 C ATOM 652 CE1 PHE A 72 19.653 25.022 4.709 1.00 8.78 C ATOM 653 CE2 PHE A 72 17.424 25.281 5.533 1.00 8.88 C ATOM 654 CZ PHE A 72 18.669 24.665 5.596 1.00 6.68 C ATOM 655 H PHE A 72 16.878 29.660 4.337 1.00 0.00 H ATOM 656 N GLU A 73 19.360 30.218 1.132 1.00 6.77 N ATOM 657 CA GLU A 73 19.381 30.966 -0.096 1.00 8.00 C ATOM 658 C GLU A 73 19.746 30.030 -1.235 1.00 10.51 C ATOM 659 O GLU A 73 20.703 29.268 -1.120 1.00 9.09 O ATOM 660 CB GLU A 73 20.411 32.083 -0.024 1.00 9.49 C ATOM 661 CG GLU A 73 20.451 32.846 -1.329 1.00 12.83 C ATOM 662 CD GLU A 73 21.555 33.867 -1.439 1.00 18.00 C ATOM 663 OE1 GLU A 73 22.020 34.387 -0.396 1.00 19.24 O ATOM 664 OE2 GLU A 73 21.847 34.247 -2.590 1.00 15.88 O ATOM 665 H GLU A 73 20.259 29.814 1.464 1.00 0.00 H ATOM 666 N PHE A 74 18.971 30.074 -2.331 1.00 8.97 N ATOM 667 CA PHE A 74 19.295 29.340 -3.559 1.00 8.29 C ATOM 668 C PHE A 74 19.596 30.445 -4.540 1.00 12.03 C ATOM 669 O PHE A 74 18.720 31.269 -4.807 1.00 11.62 O ATOM 670 CB PHE A 74 18.128 28.442 -4.032 1.00 10.31 C ATOM 671 CG PHE A 74 17.931 27.271 -3.107 1.00 10.49 C ATOM 672 CD1 PHE A 74 18.628 26.079 -3.307 1.00 11.41 C ATOM 673 CD2 PHE A 74 17.081 27.366 -2.009 1.00 13.95 C ATOM 674 CE1 PHE A 74 18.462 25.000 -2.432 1.00 14.35 C ATOM 675 CE2 PHE A 74 16.944 26.295 -1.116 1.00 14.71 C ATOM 676 CZ PHE A 74 17.623 25.115 -1.347 1.00 13.64 C ATOM 677 H PHE A 74 18.106 30.652 -2.308 1.00 0.00 H ATOM 678 N VAL A 75 20.856 30.511 -5.034 1.00 9.73 N ATOM 679 CA VAL A 75 21.272 31.583 -5.949 1.00 11.06 C ATOM 680 C VAL A 75 20.355 31.636 -7.177 1.00 14.10 C ATOM 681 O VAL A 75 19.999 30.607 -7.732 1.00 13.17 O ATOM 682 CB VAL A 75 22.783 31.568 -6.311 1.00 17.52 C ATOM 683 CG1 VAL A 75 23.632 31.677 -5.049 1.00 17.92 C ATOM 684 CG2 VAL A 75 23.170 30.339 -7.125 1.00 18.41 C ATOM 685 H VAL A 75 21.547 29.784 -4.758 1.00 0.00 H ATOM 686 N GLY A 76 19.870 32.821 -7.487 1.00 14.32 N ATOM 687 CA GLY A 76 18.941 32.970 -8.599 1.00 16.70 C ATOM 688 C GLY A 76 17.475 32.878 -8.235 1.00 21.63 C ATOM 689 O GLY A 76 16.622 33.180 -9.074 1.00 22.10 O ATOM 690 H GLY A 76 20.152 33.655 -6.934 1.00 0.00 H ATOM 691 N GLU A 77 17.160 32.386 -7.022 1.00 13.79 N ATOM 692 CA GLU A 77 15.784 32.289 -6.525 1.00 13.00 C ATOM 693 C GLU A 77 15.552 33.457 -5.541 1.00 14.54 C ATOM 694 O GLU A 77 16.335 33.631 -4.606 1.00 13.81 O ATOM 695 CB GLU A 77 15.507 30.938 -5.844 1.00 13.84 C ATOM 696 H GLU A 77 17.932 32.058 -6.407 1.00 0.00 H ATOM 697 N PRO A 78 14.538 34.307 -5.773 1.00 12.27 N ATOM 698 CA PRO A 78 14.330 35.462 -4.876 1.00 10.23 C ATOM 699 C PRO A 78 13.973 35.152 -3.437 1.00 13.35 C ATOM 700 O PRO A 78 14.379 35.891 -2.543 1.00 10.92 O ATOM 701 CB PRO A 78 13.173 36.235 -5.548 1.00 12.75 C ATOM 702 CG PRO A 78 12.445 35.206 -6.359 1.00 18.60 C ATOM 703 CD PRO A 78 13.546 34.283 -6.871 1.00 13.56 C ATOM 704 N GLU A 79 13.159 34.115 -3.204 1.00 11.28 N ATOM 705 CA GLU A 79 12.669 33.833 -1.876 1.00 11.50 C ATOM 706 C GLU A 79 13.657 33.070 -1.028 1.00 12.83 C ATOM 707 O GLU A 79 14.127 32.008 -1.428 1.00 10.82 O ATOM 708 CB GLU A 79 11.358 33.025 -2.012 1.00 14.96 C ATOM 709 CG GLU A 79 10.287 33.296 -0.974 1.00 29.62 C ATOM 710 CD GLU A 79 8.913 32.809 -1.406 1.00 48.89 C ATOM 711 OE1 GLU A 79 8.682 31.579 -1.392 1.00 30.88 O ATOM 712 OE2 GLU A 79 8.082 33.655 -1.810 1.00 46.06 O ATOM 713 H GLU A 79 12.875 33.502 -3.994 1.00 0.00 H ATOM 714 N LEU A 80 13.998 33.635 0.133 1.00 9.14 N ATOM 715 CA LEU A 80 14.832 32.949 1.129 1.00 8.03 C ATOM 716 C LEU A 80 13.908 32.045 1.935 1.00 12.78 C ATOM 717 O LEU A 80 12.778 32.449 2.238 1.00 13.40 O ATOM 718 CB LEU A 80 15.481 33.948 2.101 1.00 8.56 C ATOM 719 CG LEU A 80 16.492 34.956 1.463 1.00 12.33 C ATOM 720 CD1 LEU A 80 17.049 35.927 2.491 1.00 13.24 C ATOM 721 CD2 LEU A 80 17.662 34.219 0.774 1.00 12.77 C ATOM 722 H LEU A 80 13.660 34.597 0.340 1.00 0.00 H ATOM 723 N MET A 81 14.397 30.863 2.337 1.00 9.08 N ATOM 724 CA MET A 81 13.617 29.975 3.211 1.00 7.39 C ATOM 725 C MET A 81 14.045 30.260 4.646 1.00 11.09 C ATOM 726 O MET A 81 15.206 30.078 4.986 1.00 11.18 O ATOM 727 CB MET A 81 13.860 28.504 2.892 1.00 8.80 C ATOM 728 CG MET A 81 13.400 28.089 1.507 1.00 11.86 C ATOM 729 SD MET A 81 13.918 26.388 1.141 1.00 15.79 S ATOM 730 CE MET A 81 12.859 25.410 2.306 1.00 12.45 C ATOM 731 H MET A 81 15.345 30.569 2.025 1.00 0.00 H ATOM 732 N ASP A 82 13.114 30.688 5.486 1.00 6.17 N ATOM 733 CA ASP A 82 13.418 30.949 6.894 1.00 5.80 C ATOM 734 C ASP A 82 12.894 29.726 7.652 1.00 8.98 C ATOM 735 O ASP A 82 11.703 29.642 7.948 1.00 9.47 O ATOM 736 CB ASP A 82 12.703 32.239 7.319 1.00 7.97 C ATOM 737 CG ASP A 82 12.850 32.578 8.787 1.00 16.35 C ATOM 738 OD1 ASP A 82 13.716 31.976 9.454 1.00 14.34 O ATOM 739 OD2 ASP A 82 12.127 33.464 9.255 1.00 24.85 O ATOM 740 H ASP A 82 12.146 30.842 5.137 1.00 0.00 H ATOM 741 N VAL A 83 13.772 28.762 7.927 1.00 7.08 N ATOM 742 CA VAL A 83 13.350 27.482 8.509 1.00 7.17 C ATOM 743 C VAL A 83 13.487 27.451 9.995 1.00 7.42 C ATOM 744 O VAL A 83 14.580 27.573 10.531 1.00 7.18 O ATOM 745 CB VAL A 83 14.089 26.302 7.826 1.00 10.44 C ATOM 746 CG1 VAL A 83 13.619 24.966 8.378 1.00 9.89 C ATOM 747 CG2 VAL A 83 13.932 26.353 6.289 1.00 9.65 C ATOM 748 H VAL A 83 14.780 28.920 7.725 1.00 0.00 H ATOM 749 N HIS A 84 12.381 27.222 10.666 1.00 4.91 N ATOM 750 CA HIS A 84 12.350 27.126 12.120 1.00 4.96 C ATOM 751 C HIS A 84 12.391 25.658 12.488 1.00 9.84 C ATOM 752 O HIS A 84 11.488 24.890 12.117 1.00 8.87 O ATOM 753 CB HIS A 84 11.092 27.855 12.617 1.00 5.72 C ATOM 754 CG HIS A 84 11.211 29.348 12.472 1.00 9.33 C ATOM 755 ND1 HIS A 84 11.315 30.159 13.572 1.00 11.62 N ATOM 756 CD2 HIS A 84 11.266 30.116 11.354 1.00 11.26 C ATOM 757 CE1 HIS A 84 11.417 31.396 13.098 1.00 11.12 C ATOM 758 NE2 HIS A 84 11.395 31.412 11.769 1.00 10.89 N ATOM 759 H HIS A 84 11.492 27.105 10.139 1.00 0.00 H ATOM 760 N VAL A 85 13.488 25.243 13.138 1.00 5.68 N ATOM 761 CA VAL A 85 13.765 23.849 13.468 1.00 4.11 C ATOM 762 C VAL A 85 13.306 23.561 14.869 1.00 8.79 C ATOM 763 O VAL A 85 13.581 24.331 15.792 1.00 8.59 O ATOM 764 CB VAL A 85 15.274 23.511 13.258 1.00 6.75 C ATOM 765 CG1 VAL A 85 15.548 21.997 13.393 1.00 6.28 C ATOM 766 CG2 VAL A 85 15.755 24.044 11.898 1.00 5.88 C ATOM 767 H VAL A 85 14.185 25.960 13.425 1.00 0.00 H ATOM 768 N PHE A 86 12.614 22.432 15.026 1.00 6.95 N ATOM 769 CA PHE A 86 12.097 21.981 16.314 1.00 6.82 C ATOM 770 C PHE A 86 12.455 20.552 16.573 1.00 9.71 C ATOM 771 O PHE A 86 12.674 19.775 15.634 1.00 9.62 O ATOM 772 CB PHE A 86 10.560 22.055 16.332 1.00 7.98 C ATOM 773 CG PHE A 86 9.964 23.431 16.224 1.00 9.11 C ATOM 774 CD1 PHE A 86 9.767 24.023 14.985 1.00 10.51 C ATOM 775 CD2 PHE A 86 9.599 24.137 17.361 1.00 11.22 C ATOM 776 CE1 PHE A 86 9.219 25.312 14.887 1.00 12.72 C ATOM 777 CE2 PHE A 86 9.050 25.418 17.263 1.00 14.16 C ATOM 778 CZ PHE A 86 8.845 25.993 16.031 1.00 12.18 C ATOM 779 H PHE A 86 12.434 21.843 14.188 1.00 0.00 H ATOM 780 N CYS A 87 12.477 20.194 17.852 1.00 8.28 N ATOM 781 CA CYS A 87 12.800 18.855 18.298 1.00 8.73 C ATOM 782 C CYS A 87 11.760 18.320 19.277 1.00 11.99 C ATOM 783 O CYS A 87 11.237 19.087 20.091 1.00 10.51 O ATOM 784 CB CYS A 87 14.188 18.865 18.920 1.00 9.38 C ATOM 785 SG CYS A 87 14.860 17.227 19.229 1.00 13.22 S ATOM 786 H CYS A 87 12.251 20.912 18.569 1.00 0.00 H ATOM 787 N THR A 88 11.483 16.998 19.225 1.00 9.33 N ATOM 788 CA THR A 88 10.569 16.349 20.183 1.00 11.78 C ATOM 789 C THR A 88 11.094 14.948 20.527 1.00 17.75 C ATOM 790 O THR A 88 11.665 14.272 19.657 1.00 15.65 O ATOM 791 CB THR A 88 9.108 16.315 19.709 1.00 19.93 C ATOM 792 OG1 THR A 88 8.297 15.760 20.768 1.00 22.41 O ATOM 793 CG2 THR A 88 8.929 15.534 18.428 1.00 17.51 C ATOM 794 HG1 THR A 88 8.378 16.327 21.576 1.00 0.00 H ATOM 795 H THR A 88 11.929 16.419 18.485 1.00 0.00 H ATOM 796 N ASP A 89 10.855 14.491 21.766 1.00 16.50 N ATOM 797 CA ASP A 89 11.179 13.121 22.153 1.00 17.36 C ATOM 798 C ASP A 89 9.859 12.437 22.536 1.00 27.81 C ATOM 799 O ASP A 89 9.810 11.199 22.631 1.00 31.59 O ATOM 800 CB ASP A 89 12.210 13.076 23.319 1.00 18.13 C ATOM 801 CG ASP A 89 11.794 13.593 24.696 1.00 29.57 C ATOM 802 OD1 ASP A 89 10.628 14.047 24.847 1.00 32.46 O ATOM 803 OD2 ASP A 89 12.625 13.510 25.641 1.00 36.32 O ATOM 804 H ASP A 89 10.428 15.129 22.468 1.00 0.00 H ATOM 805 N SER A 90 8.791 13.269 22.750 1.00 24.02 N ATOM 806 CA SER A 90 7.429 12.888 23.182 1.00 23.73 C ATOM 807 C SER A 90 6.388 12.975 22.063 1.00 23.00 C ATOM 808 O SER A 90 5.873 14.052 21.752 1.00 23.27 O ATOM 809 CB SER A 90 6.981 13.725 24.381 1.00 29.36 C ATOM 810 H SER A 90 8.957 14.283 22.590 1.00 0.00 H ATOM 811 N ILE A 91 6.075 11.825 21.487 1.00 17.50 N ATOM 812 CA ILE A 91 5.124 11.667 20.386 1.00 15.77 C ATOM 813 C ILE A 91 4.106 10.581 20.722 1.00 16.44 C ATOM 814 O ILE A 91 4.353 9.757 21.605 1.00 16.52 O ATOM 815 CB ILE A 91 5.866 11.314 19.072 1.00 18.87 C ATOM 816 CG1 ILE A 91 6.812 10.102 19.272 1.00 20.57 C ATOM 817 CG2 ILE A 91 6.633 12.539 18.511 1.00 20.00 C ATOM 818 CD1 ILE A 91 6.847 9.158 18.209 1.00 27.80 C ATOM 819 H ILE A 91 6.541 10.967 21.845 1.00 0.00 H ATOM 820 N GLN A 92 3.015 10.555 19.957 1.00 11.71 N ATOM 821 CA GLN A 92 1.948 9.541 20.012 1.00 12.53 C ATOM 822 C GLN A 92 1.688 9.058 18.602 1.00 17.21 C ATOM 823 O GLN A 92 1.730 9.846 17.652 1.00 16.55 O ATOM 824 CB GLN A 92 0.638 10.124 20.598 1.00 13.85 C ATOM 825 CG GLN A 92 0.771 10.459 22.061 1.00 15.92 C ATOM 826 CD GLN A 92 -0.480 11.117 22.566 1.00 33.53 C ATOM 827 OE1 GLN A 92 -0.645 12.337 22.500 1.00 28.25 O ATOM 828 NE2 GLN A 92 -1.378 10.318 23.091 1.00 24.68 N ATOM 829 HE22 GLN A 92 -1.204 9.293 23.129 1.00 0.00 H ATOM 830 HE21 GLN A 92 -2.264 10.709 23.469 1.00 0.00 H ATOM 831 H GLN A 92 2.907 11.319 19.259 1.00 0.00 H ATOM 832 N GLY A 93 1.375 7.779 18.480 1.00 16.50 N ATOM 833 CA GLY A 93 1.097 7.168 17.193 1.00 15.92 C ATOM 834 C GLY A 93 2.292 6.414 16.652 1.00 18.34 C ATOM 835 O GLY A 93 3.344 6.355 17.288 1.00 17.13 O ATOM 836 H GLY A 93 1.326 7.190 19.336 1.00 0.00 H ATOM 837 N THR A 94 2.123 5.849 15.469 1.00 16.27 N ATOM 838 CA THR A 94 3.179 5.106 14.768 1.00 15.20 C ATOM 839 C THR A 94 3.372 5.808 13.436 1.00 15.97 C ATOM 840 O THR A 94 2.375 6.233 12.841 1.00 16.26 O ATOM 841 CB THR A 94 2.838 3.593 14.661 1.00 26.79 C ATOM 842 OG1 THR A 94 3.841 2.925 13.880 1.00 29.28 O ATOM 843 CG2 THR A 94 1.489 3.331 14.048 1.00 29.81 C ATOM 844 HG1 THR A 94 3.620 1.962 13.815 1.00 0.00 H ATOM 845 H THR A 94 1.194 5.935 15.010 1.00 0.00 H ATOM 846 N PRO A 95 4.635 5.967 12.960 1.00 11.39 N ATOM 847 CA PRO A 95 4.854 6.670 11.688 1.00 9.98 C ATOM 848 C PRO A 95 4.136 5.974 10.532 1.00 15.77 C ATOM 849 O PRO A 95 4.161 4.750 10.420 1.00 16.03 O ATOM 850 CB PRO A 95 6.386 6.641 11.509 1.00 11.70 C ATOM 851 CG PRO A 95 6.937 6.383 12.865 1.00 16.60 C ATOM 852 CD PRO A 95 5.914 5.539 13.574 1.00 12.34 C ATOM 853 N VAL A 96 3.453 6.776 9.718 1.00 13.37 N ATOM 854 CA VAL A 96 2.617 6.311 8.620 1.00 14.24 C ATOM 855 C VAL A 96 3.329 6.500 7.292 1.00 16.93 C ATOM 856 O VAL A 96 3.754 7.620 6.986 1.00 17.04 O ATOM 857 CB VAL A 96 1.261 7.074 8.639 1.00 17.99 C ATOM 858 CG1 VAL A 96 0.444 6.795 7.374 1.00 18.16 C ATOM 859 CG2 VAL A 96 0.448 6.728 9.888 1.00 18.82 C ATOM 860 H VAL A 96 3.521 7.802 9.877 1.00 0.00 H ATOM 861 N GLU A 97 3.463 5.428 6.497 1.00 13.23 N ATOM 862 CA GLU A 97 4.025 5.616 5.152 1.00 13.17 C ATOM 863 C GLU A 97 2.880 6.010 4.266 1.00 14.27 C ATOM 864 O GLU A 97 1.815 5.372 4.277 1.00 14.57 O ATOM 865 CB GLU A 97 4.697 4.359 4.557 1.00 15.63 C ATOM 866 CG GLU A 97 5.205 4.645 3.148 1.00 22.33 C ATOM 867 CD GLU A 97 6.028 3.594 2.432 1.00 32.03 C ATOM 868 OE1 GLU A 97 6.149 2.476 2.966 1.00 26.12 O ATOM 869 OE2 GLU A 97 6.505 3.872 1.310 1.00 30.40 O ATOM 870 H GLU A 97 3.175 4.484 6.825 1.00 0.00 H ATOM 871 N SER A 98 3.098 7.057 3.475 1.00 11.91 N ATOM 872 CA SER A 98 2.065 7.479 2.539 1.00 10.91 C ATOM 873 C SER A 98 2.653 7.540 1.146 1.00 16.00 C ATOM 874 O SER A 98 3.869 7.344 0.972 1.00 14.52 O ATOM 875 CB SER A 98 1.532 8.854 2.937 1.00 11.96 C ATOM 876 OG SER A 98 2.556 9.836 2.845 1.00 15.49 O ATOM 877 HG SER A 98 3.300 9.593 3.451 1.00 0.00 H ATOM 878 H SER A 98 4.001 7.571 3.525 1.00 0.00 H ATOM 879 N ASP A 99 1.814 7.871 0.144 1.00 14.83 N ATOM 880 CA ASP A 99 2.358 8.030 -1.204 1.00 15.85 C ATOM 881 C ASP A 99 3.403 9.161 -1.270 1.00 21.80 C ATOM 882 O ASP A 99 4.321 9.057 -2.068 1.00 24.18 O ATOM 883 CB ASP A 99 1.276 8.239 -2.269 1.00 17.92 C ATOM 884 CG ASP A 99 1.904 8.100 -3.654 1.00 27.08 C ATOM 885 OD1 ASP A 99 2.622 7.090 -3.888 1.00 26.97 O ATOM 886 OD2 ASP A 99 1.892 9.080 -4.400 1.00 37.21 O ATOM 887 H ASP A 99 0.800 8.011 0.326 1.00 0.00 H ATOM 888 N GLU A 100 3.320 10.176 -0.390 1.00 16.77 N ATOM 889 CA GLU A 100 4.244 11.307 -0.345 1.00 17.04 C ATOM 890 C GLU A 100 5.527 11.113 0.472 1.00 18.05 C ATOM 891 O GLU A 100 6.533 11.750 0.174 1.00 17.45 O ATOM 892 CB GLU A 100 3.522 12.558 0.194 1.00 17.99 C ATOM 893 CG GLU A 100 2.360 13.011 -0.679 1.00 30.22 C ATOM 894 H GLU A 100 2.546 10.154 0.305 1.00 0.00 H ATOM 895 N MET A 101 5.476 10.279 1.513 1.00 13.79 N ATOM 896 CA MET A 101 6.582 10.162 2.466 1.00 13.34 C ATOM 897 C MET A 101 6.793 8.734 2.965 1.00 14.16 C ATOM 898 O MET A 101 5.840 8.060 3.366 1.00 14.21 O ATOM 899 CB MET A 101 6.223 11.060 3.670 1.00 15.63 C ATOM 900 CG MET A 101 7.368 11.326 4.612 1.00 18.18 C ATOM 901 SD MET A 101 8.699 12.315 3.898 1.00 20.75 S ATOM 902 CE MET A 101 7.979 14.000 4.023 1.00 18.27 C ATOM 903 H MET A 101 4.626 9.695 1.651 1.00 0.00 H ATOM 904 N ARG A 102 8.064 8.320 3.045 1.00 9.19 N ATOM 905 CA ARG A 102 8.443 7.012 3.595 1.00 7.88 C ATOM 906 C ARG A 102 9.266 7.223 4.895 1.00 12.97 C ATOM 907 O ARG A 102 10.439 7.563 4.823 1.00 11.18 O ATOM 908 CB ARG A 102 9.243 6.211 2.546 1.00 9.34 C ATOM 909 CG ARG A 102 9.680 4.833 3.025 1.00 12.67 C ATOM 910 CD ARG A 102 10.210 3.982 1.873 1.00 12.58 C ATOM 911 NE ARG A 102 11.366 4.568 1.175 1.00 13.14 N ATOM 912 CZ ARG A 102 12.633 4.223 1.396 1.00 23.35 C ATOM 913 NH1 ARG A 102 12.929 3.311 2.312 1.00 14.68 N ATOM 914 NH2 ARG A 102 13.612 4.777 0.693 1.00 20.78 N ATOM 915 HE ARG A 102 11.181 5.301 0.461 1.00 0.00 H ATOM 916 HH12 ARG A 102 13.920 3.046 2.480 1.00 0.00 H ATOM 917 HH11 ARG A 102 12.170 2.861 2.862 1.00 0.00 H ATOM 918 HH22 ARG A 102 14.599 4.503 0.871 1.00 0.00 H ATOM 919 HH21 ARG A 102 13.392 5.485 -0.036 1.00 0.00 H ATOM 920 H ARG A 102 8.815 8.952 2.703 1.00 0.00 H ATOM 921 N PRO A 103 8.668 7.052 6.090 1.00 11.78 N ATOM 922 CA PRO A 103 9.424 7.286 7.333 1.00 10.39 C ATOM 923 C PRO A 103 10.208 6.067 7.775 1.00 12.21 C ATOM 924 O PRO A 103 9.776 4.918 7.591 1.00 12.18 O ATOM 925 CB PRO A 103 8.336 7.644 8.373 1.00 12.67 C ATOM 926 CG PRO A 103 7.009 7.595 7.626 1.00 20.19 C ATOM 927 CD PRO A 103 7.261 6.718 6.398 1.00 16.08 C ATOM 928 N CYS A 104 11.347 6.336 8.408 1.00 9.55 N ATOM 929 CA CYS A 104 12.233 5.312 8.926 1.00 10.08 C ATOM 930 C CYS A 104 12.997 5.815 10.126 1.00 11.72 C ATOM 931 O CYS A 104 13.471 6.955 10.111 1.00 11.30 O ATOM 932 CB CYS A 104 13.189 4.857 7.838 1.00 11.92 C ATOM 933 SG CYS A 104 13.976 3.282 8.188 1.00 16.98 S ATOM 934 H CYS A 104 11.616 7.332 8.538 1.00 0.00 H ATOM 935 N TRP A 105 13.180 4.939 11.129 1.00 8.83 N ATOM 936 CA TRP A 105 13.965 5.271 12.326 1.00 9.22 C ATOM 937 C TRP A 105 15.433 4.967 12.014 1.00 13.64 C ATOM 938 O TRP A 105 15.730 3.898 11.462 1.00 14.60 O ATOM 939 CB TRP A 105 13.548 4.402 13.504 1.00 8.59 C ATOM 940 CG TRP A 105 12.220 4.758 14.088 1.00 8.82 C ATOM 941 CD1 TRP A 105 11.058 4.049 13.993 1.00 12.27 C ATOM 942 CD2 TRP A 105 11.945 5.877 14.942 1.00 8.98 C ATOM 943 NE1 TRP A 105 10.070 4.668 14.729 1.00 11.24 N ATOM 944 CE2 TRP A 105 10.593 5.787 15.328 1.00 12.39 C ATOM 945 CE3 TRP A 105 12.718 6.953 15.415 1.00 9.79 C ATOM 946 CZ2 TRP A 105 9.981 6.759 16.136 1.00 12.11 C ATOM 947 CZ3 TRP A 105 12.126 7.880 16.270 1.00 10.37 C ATOM 948 CH2 TRP A 105 10.775 7.778 16.616 1.00 10.96 C ATOM 949 HE1 TRP A 105 9.087 4.340 14.816 1.00 0.00 H ATOM 950 H TRP A 105 12.751 3.994 11.055 1.00 0.00 H ATOM 951 N PHE A 106 16.343 5.860 12.406 1.00 9.66 N ATOM 952 CA PHE A 106 17.777 5.640 12.239 1.00 9.21 C ATOM 953 C PHE A 106 18.468 5.680 13.579 1.00 12.61 C ATOM 954 O PHE A 106 18.236 6.610 14.354 1.00 12.14 O ATOM 955 CB PHE A 106 18.387 6.730 11.331 1.00 10.18 C ATOM 956 CG PHE A 106 17.923 6.620 9.902 1.00 10.91 C ATOM 957 CD1 PHE A 106 16.735 7.217 9.490 1.00 12.78 C ATOM 958 CD2 PHE A 106 18.642 5.866 8.977 1.00 11.40 C ATOM 959 CE1 PHE A 106 16.278 7.075 8.181 1.00 13.18 C ATOM 960 CE2 PHE A 106 18.208 5.761 7.654 1.00 14.45 C ATOM 961 CZ PHE A 106 17.015 6.341 7.268 1.00 12.44 C ATOM 962 H PHE A 106 16.020 6.745 12.846 1.00 0.00 H ATOM 963 N GLN A 107 19.399 4.732 13.812 1.00 11.89 N ATOM 964 CA GLN A 107 20.258 4.767 14.998 1.00 11.87 C ATOM 965 C GLN A 107 21.136 5.996 14.819 1.00 13.52 C ATOM 966 O GLN A 107 21.458 6.363 13.677 1.00 12.19 O ATOM 967 CB GLN A 107 21.130 3.498 15.077 1.00 13.30 C ATOM 968 CG GLN A 107 20.315 2.238 15.309 1.00 16.32 C ATOM 969 CD GLN A 107 19.655 2.254 16.662 1.00 32.12 C ATOM 970 OE1 GLN A 107 20.311 2.150 17.705 1.00 33.61 O ATOM 971 NE2 GLN A 107 18.343 2.414 16.674 1.00 19.10 N ATOM 972 HE22 GLN A 107 17.821 2.498 15.778 1.00 0.00 H ATOM 973 HE21 GLN A 107 17.832 2.456 17.579 1.00 0.00 H ATOM 974 H GLN A 107 19.510 3.954 13.130 1.00 0.00 H ATOM 975 N LEU A 108 21.515 6.648 15.923 1.00 12.91 N ATOM 976 CA LEU A 108 22.253 7.922 15.845 1.00 13.53 C ATOM 977 C LEU A 108 23.582 7.839 15.090 1.00 19.39 C ATOM 978 O LEU A 108 23.906 8.785 14.344 1.00 19.34 O ATOM 979 CB LEU A 108 22.421 8.555 17.238 1.00 13.90 C ATOM 980 CG LEU A 108 21.085 8.886 17.948 1.00 18.12 C ATOM 981 CD1 LEU A 108 21.320 9.724 19.186 1.00 19.33 C ATOM 982 CD2 LEU A 108 20.064 9.593 16.983 1.00 15.97 C ATOM 983 H LEU A 108 21.285 6.249 16.855 1.00 0.00 H ATOM 984 N ASP A 109 24.309 6.711 15.218 1.00 18.08 N ATOM 985 CA ASP A 109 25.589 6.488 14.535 1.00 19.22 C ATOM 986 C ASP A 109 25.396 6.093 13.061 1.00 22.97 C ATOM 987 O ASP A 109 26.382 5.909 12.336 1.00 23.87 O ATOM 988 CB ASP A 109 26.446 5.442 15.306 1.00 22.33 C ATOM 989 CG ASP A 109 25.811 4.079 15.583 1.00 34.29 C ATOM 990 OD1 ASP A 109 24.642 3.869 15.183 1.00 35.39 O ATOM 991 OD2 ASP A 109 26.481 3.227 16.206 1.00 43.95 O ATOM 992 H ASP A 109 23.943 5.958 15.834 1.00 0.00 H ATOM 993 N GLN A 110 24.123 5.923 12.625 1.00 16.22 N ATOM 994 CA GLN A 110 23.802 5.511 11.261 1.00 14.01 C ATOM 995 C GLN A 110 22.942 6.530 10.482 1.00 16.65 C ATOM 996 O GLN A 110 22.291 6.159 9.503 1.00 16.32 O ATOM 997 CB GLN A 110 23.161 4.113 11.252 1.00 15.21 C ATOM 998 CG GLN A 110 24.136 3.020 11.721 1.00 21.34 C ATOM 999 CD GLN A 110 23.443 1.699 11.903 1.00 48.65 C ATOM 1000 OE1 GLN A 110 23.092 1.019 10.939 1.00 47.93 O ATOM 1001 NE2 GLN A 110 23.235 1.304 13.151 1.00 46.33 N ATOM 1002 HE22 GLN A 110 23.544 1.902 13.944 1.00 0.00 H ATOM 1003 HE21 GLN A 110 22.763 0.396 13.337 1.00 0.00 H ATOM 1004 H GLN A 110 23.342 6.093 13.290 1.00 0.00 H ATOM 1005 N ILE A 111 22.997 7.819 10.860 1.00 11.17 N ATOM 1006 CA ILE A 111 22.258 8.875 10.151 1.00 10.25 C ATOM 1007 C ILE A 111 22.803 8.978 8.693 1.00 11.34 C ATOM 1008 O ILE A 111 24.014 9.015 8.499 1.00 12.28 O ATOM 1009 CB ILE A 111 22.302 10.170 10.986 1.00 12.50 C ATOM 1010 CG1 ILE A 111 21.389 9.991 12.255 1.00 11.65 C ATOM 1011 CG2 ILE A 111 21.825 11.386 10.175 1.00 12.72 C ATOM 1012 CD1 ILE A 111 21.544 11.056 13.354 1.00 15.36 C ATOM 1013 H ILE A 111 23.581 8.078 11.681 1.00 0.00 H ATOM 1014 N PRO A 112 21.919 8.849 7.683 1.00 11.24 N ATOM 1015 CA PRO A 112 22.369 8.770 6.275 1.00 10.62 C ATOM 1016 C PRO A 112 22.729 10.114 5.636 1.00 12.49 C ATOM 1017 O PRO A 112 22.089 10.550 4.674 1.00 10.87 O ATOM 1018 CB PRO A 112 21.162 8.118 5.583 1.00 12.68 C ATOM 1019 CG PRO A 112 19.993 8.637 6.339 1.00 16.71 C ATOM 1020 CD PRO A 112 20.446 8.693 7.782 1.00 12.31 C ATOM 1021 N PHE A 113 23.756 10.776 6.164 1.00 11.15 N ATOM 1022 CA PHE A 113 24.160 12.098 5.694 1.00 10.80 C ATOM 1023 C PHE A 113 24.344 12.240 4.168 1.00 14.47 C ATOM 1024 O PHE A 113 23.979 13.287 3.619 1.00 12.51 O ATOM 1025 CB PHE A 113 25.410 12.552 6.445 1.00 12.27 C ATOM 1026 CG PHE A 113 25.067 12.897 7.877 1.00 12.86 C ATOM 1027 CD1 PHE A 113 24.243 13.979 8.168 1.00 14.02 C ATOM 1028 CD2 PHE A 113 25.588 12.152 8.935 1.00 13.87 C ATOM 1029 CE1 PHE A 113 23.958 14.324 9.490 1.00 15.33 C ATOM 1030 CE2 PHE A 113 25.289 12.481 10.259 1.00 16.44 C ATOM 1031 CZ PHE A 113 24.480 13.575 10.533 1.00 13.87 C ATOM 1032 H PHE A 113 24.290 10.335 6.940 1.00 0.00 H ATOM 1033 N LYS A 114 24.845 11.181 3.476 1.00 13.35 N ATOM 1034 CA LYS A 114 25.030 11.238 2.022 1.00 14.68 C ATOM 1035 C LYS A 114 23.710 11.353 1.250 1.00 16.98 C ATOM 1036 O LYS A 114 23.702 11.837 0.116 1.00 17.00 O ATOM 1037 CB LYS A 114 25.856 10.030 1.515 1.00 19.03 C ATOM 1038 H LYS A 114 25.102 10.313 3.989 1.00 0.00 H ATOM 1039 N ASP A 115 22.593 10.906 1.868 1.00 12.44 N ATOM 1040 CA ASP A 115 21.266 10.911 1.260 1.00 11.46 C ATOM 1041 C ASP A 115 20.364 11.923 1.946 1.00 10.79 C ATOM 1042 O ASP A 115 19.143 11.764 1.933 1.00 9.62 O ATOM 1043 CB ASP A 115 20.636 9.491 1.326 1.00 13.58 C ATOM 1044 CG ASP A 115 21.407 8.438 0.550 1.00 27.61 C ATOM 1045 OD1 ASP A 115 21.876 8.747 -0.550 1.00 29.61 O ATOM 1046 OD2 ASP A 115 21.562 7.314 1.069 1.00 33.92 O ATOM 1047 H ASP A 115 22.685 10.536 2.836 1.00 0.00 H ATOM 1048 N MET A 116 20.965 12.979 2.504 1.00 7.74 N ATOM 1049 CA MET A 116 20.226 14.061 3.158 1.00 7.57 C ATOM 1050 C MET A 116 20.672 15.387 2.550 1.00 10.94 C ATOM 1051 O MET A 116 21.715 15.447 1.884 1.00 9.86 O ATOM 1052 CB MET A 116 20.493 14.098 4.687 1.00 8.67 C ATOM 1053 CG MET A 116 19.899 12.889 5.434 1.00 10.71 C ATOM 1054 SD MET A 116 20.617 12.508 7.033 1.00 11.92 S ATOM 1055 CE MET A 116 19.801 13.742 8.081 1.00 9.77 C ATOM 1056 H MET A 116 22.003 13.034 2.472 1.00 0.00 H ATOM 1057 N TRP A 117 19.930 16.471 2.838 1.00 7.16 N ATOM 1058 CA TRP A 117 20.353 17.789 2.396 1.00 7.38 C ATOM 1059 C TRP A 117 21.778 18.006 2.928 1.00 10.46 C ATOM 1060 O TRP A 117 22.049 17.683 4.085 1.00 8.17 O ATOM 1061 CB TRP A 117 19.401 18.852 2.943 1.00 6.73 C ATOM 1062 CG TRP A 117 18.173 19.028 2.102 1.00 6.86 C ATOM 1063 CD1 TRP A 117 16.944 18.470 2.305 1.00 8.97 C ATOM 1064 CD2 TRP A 117 18.069 19.811 0.908 1.00 6.75 C ATOM 1065 NE1 TRP A 117 16.075 18.868 1.309 1.00 9.31 N ATOM 1066 CE2 TRP A 117 16.747 19.670 0.426 1.00 9.92 C ATOM 1067 CE3 TRP A 117 18.979 20.606 0.181 1.00 8.17 C ATOM 1068 CZ2 TRP A 117 16.293 20.341 -0.716 1.00 9.88 C ATOM 1069 CZ3 TRP A 117 18.521 21.289 -0.937 1.00 9.50 C ATOM 1070 CH2 TRP A 117 17.205 21.122 -1.398 1.00 10.29 C ATOM 1071 HE1 TRP A 117 15.072 18.602 1.240 1.00 0.00 H ATOM 1072 H TRP A 117 19.049 16.365 3.380 1.00 0.00 H ATOM 1073 N PRO A 118 22.692 18.527 2.075 1.00 9.40 N ATOM 1074 CA PRO A 118 24.103 18.718 2.488 1.00 9.63 C ATOM 1075 C PRO A 118 24.330 19.524 3.770 1.00 10.66 C ATOM 1076 O PRO A 118 25.302 19.254 4.492 1.00 9.33 O ATOM 1077 CB PRO A 118 24.726 19.442 1.289 1.00 11.98 C ATOM 1078 CG PRO A 118 23.861 19.132 0.133 1.00 17.44 C ATOM 1079 CD PRO A 118 22.476 18.893 0.653 1.00 12.20 C ATOM 1080 N ASP A 119 23.462 20.523 4.056 1.00 6.61 N ATOM 1081 CA ASP A 119 23.585 21.329 5.270 1.00 5.13 C ATOM 1082 C ASP A 119 23.422 20.464 6.544 1.00 8.10 C ATOM 1083 O ASP A 119 23.940 20.832 7.595 1.00 7.64 O ATOM 1084 CB ASP A 119 22.523 22.456 5.282 1.00 6.65 C ATOM 1085 CG ASP A 119 21.134 21.942 4.921 1.00 8.54 C ATOM 1086 OD1 ASP A 119 20.874 21.739 3.718 1.00 10.14 O ATOM 1087 OD2 ASP A 119 20.296 21.815 5.828 1.00 6.72 O ATOM 1088 H ASP A 119 22.686 20.723 3.393 1.00 0.00 H ATOM 1089 N ASP A 120 22.718 19.316 6.467 1.00 5.61 N ATOM 1090 CA ASP A 120 22.502 18.498 7.677 1.00 6.17 C ATOM 1091 C ASP A 120 23.798 18.011 8.315 1.00 9.60 C ATOM 1092 O ASP A 120 23.885 17.945 9.539 1.00 9.37 O ATOM 1093 CB ASP A 120 21.574 17.296 7.396 1.00 6.39 C ATOM 1094 CG ASP A 120 20.169 17.726 7.066 1.00 11.70 C ATOM 1095 OD1 ASP A 120 19.960 18.935 6.808 1.00 9.64 O ATOM 1096 OD2 ASP A 120 19.284 16.858 7.026 1.00 13.55 O ATOM 1097 H ASP A 120 22.327 19.007 5.554 1.00 0.00 H ATOM 1098 N SER A 121 24.839 17.746 7.499 1.00 8.10 N ATOM 1099 CA SER A 121 26.144 17.310 8.047 1.00 8.19 C ATOM 1100 C SER A 121 26.737 18.383 8.957 1.00 11.45 C ATOM 1101 O SER A 121 27.512 18.051 9.858 1.00 12.52 O ATOM 1102 CB SER A 121 27.114 16.991 6.906 1.00 11.19 C ATOM 1103 OG SER A 121 26.516 15.926 6.189 1.00 18.02 O ATOM 1104 HG SER A 121 25.634 16.216 5.845 1.00 0.00 H ATOM 1105 H SER A 121 24.724 17.849 6.471 1.00 0.00 H ATOM 1106 N TYR A 122 26.325 19.659 8.757 1.00 6.80 N ATOM 1107 CA TYR A 122 26.811 20.790 9.560 1.00 7.71 C ATOM 1108 C TYR A 122 26.074 20.954 10.878 1.00 10.98 C ATOM 1109 O TYR A 122 26.712 21.133 11.903 1.00 9.82 O ATOM 1110 CB TYR A 122 26.739 22.118 8.766 1.00 8.44 C ATOM 1111 CG TYR A 122 27.681 22.160 7.580 1.00 11.95 C ATOM 1112 CD1 TYR A 122 27.334 21.571 6.371 1.00 13.83 C ATOM 1113 CD2 TYR A 122 28.929 22.769 7.677 1.00 15.33 C ATOM 1114 CE1 TYR A 122 28.213 21.570 5.284 1.00 17.02 C ATOM 1115 CE2 TYR A 122 29.819 22.767 6.601 1.00 18.34 C ATOM 1116 CZ TYR A 122 29.451 22.171 5.403 1.00 25.17 C ATOM 1117 OH TYR A 122 30.288 22.146 4.309 1.00 30.31 O ATOM 1118 HH TYR A 122 29.839 21.677 3.562 1.00 0.00 H ATOM 1119 H TYR A 122 25.635 19.846 8.002 1.00 0.00 H ATOM 1120 N TRP A 123 24.730 20.977 10.844 1.00 8.29 N ATOM 1121 CA TRP A 123 23.970 21.291 12.047 1.00 8.72 C ATOM 1122 C TRP A 123 23.423 20.089 12.809 1.00 11.57 C ATOM 1123 O TRP A 123 23.111 20.234 13.990 1.00 9.01 O ATOM 1124 CB TRP A 123 22.843 22.303 11.738 1.00 7.49 C ATOM 1125 CG TRP A 123 21.856 21.865 10.686 1.00 7.51 C ATOM 1126 CD1 TRP A 123 21.871 22.182 9.359 1.00 9.43 C ATOM 1127 CD2 TRP A 123 20.644 21.132 10.914 1.00 7.21 C ATOM 1128 NE1 TRP A 123 20.765 21.649 8.733 1.00 8.12 N ATOM 1129 CE2 TRP A 123 19.962 21.057 9.675 1.00 10.54 C ATOM 1130 CE3 TRP A 123 20.040 20.590 12.062 1.00 7.92 C ATOM 1131 CZ2 TRP A 123 18.732 20.402 9.538 1.00 10.63 C ATOM 1132 CZ3 TRP A 123 18.805 19.973 11.935 1.00 10.01 C ATOM 1133 CH2 TRP A 123 18.189 19.837 10.683 1.00 10.22 C ATOM 1134 HE1 TRP A 123 20.571 21.689 7.712 1.00 0.00 H ATOM 1135 H TRP A 123 24.231 20.770 9.955 1.00 0.00 H ATOM 1136 N PHE A 124 23.278 18.920 12.169 1.00 9.59 N ATOM 1137 CA PHE A 124 22.827 17.730 12.919 1.00 10.52 C ATOM 1138 C PHE A 124 23.745 17.427 14.103 1.00 13.86 C ATOM 1139 O PHE A 124 23.221 17.143 15.161 1.00 13.16 O ATOM 1140 CB PHE A 124 22.763 16.498 12.027 1.00 13.11 C ATOM 1141 CG PHE A 124 21.362 16.047 11.771 1.00 14.19 C ATOM 1142 CD1 PHE A 124 20.503 16.808 10.988 1.00 18.11 C ATOM 1143 CD2 PHE A 124 20.897 14.851 12.300 1.00 16.65 C ATOM 1144 CE1 PHE A 124 19.203 16.388 10.755 1.00 18.52 C ATOM 1145 CE2 PHE A 124 19.596 14.422 12.047 1.00 19.98 C ATOM 1146 CZ PHE A 124 18.767 15.188 11.276 1.00 17.35 C ATOM 1147 H PHE A 124 23.482 18.851 11.151 1.00 0.00 H ATOM 1148 N PRO A 125 25.089 17.538 13.990 1.00 10.79 N ATOM 1149 CA PRO A 125 25.944 17.328 15.181 1.00 10.91 C ATOM 1150 C PRO A 125 25.562 18.211 16.376 1.00 12.55 C ATOM 1151 O PRO A 125 25.651 17.769 17.520 1.00 13.30 O ATOM 1152 CB PRO A 125 27.346 17.640 14.668 1.00 12.77 C ATOM 1153 CG PRO A 125 27.283 17.287 13.196 1.00 17.20 C ATOM 1154 CD PRO A 125 25.917 17.789 12.786 1.00 12.40 C ATOM 1155 N LEU A 126 25.098 19.449 16.115 1.00 8.12 N ATOM 1156 CA LEU A 126 24.699 20.347 17.196 1.00 7.58 C ATOM 1157 C LEU A 126 23.387 19.896 17.805 1.00 9.07 C ATOM 1158 O LEU A 126 23.289 19.781 19.026 1.00 9.41 O ATOM 1159 CB LEU A 126 24.615 21.810 16.721 1.00 7.48 C ATOM 1160 CG LEU A 126 25.842 22.358 15.970 1.00 12.21 C ATOM 1161 CD1 LEU A 126 25.605 23.817 15.536 1.00 11.75 C ATOM 1162 CD2 LEU A 126 27.098 22.280 16.836 1.00 16.66 C ATOM 1163 H LEU A 126 25.023 19.770 15.129 1.00 0.00 H ATOM 1164 N LEU A 127 22.417 19.536 16.941 1.00 7.87 N ATOM 1165 CA LEU A 127 21.100 19.035 17.327 1.00 9.51 C ATOM 1166 C LEU A 127 21.262 17.781 18.226 1.00 11.48 C ATOM 1167 O LEU A 127 20.603 17.665 19.257 1.00 12.57 O ATOM 1168 CB LEU A 127 20.313 18.705 16.036 1.00 10.55 C ATOM 1169 CG LEU A 127 18.898 18.127 16.160 1.00 18.43 C ATOM 1170 CD1 LEU A 127 17.893 19.128 15.637 1.00 21.16 C ATOM 1171 CD2 LEU A 127 18.772 16.878 15.285 1.00 19.96 C ATOM 1172 H LEU A 127 22.621 19.621 15.925 1.00 0.00 H ATOM 1173 N LEU A 128 22.169 16.880 17.858 1.00 10.24 N ATOM 1174 CA LEU A 128 22.413 15.630 18.595 1.00 10.22 C ATOM 1175 C LEU A 128 22.985 15.850 19.996 1.00 15.76 C ATOM 1176 O LEU A 128 22.821 14.993 20.870 1.00 16.93 O ATOM 1177 CB LEU A 128 23.330 14.707 17.780 1.00 10.52 C ATOM 1178 CG LEU A 128 22.735 14.145 16.452 1.00 14.55 C ATOM 1179 CD1 LEU A 128 23.728 13.204 15.805 1.00 15.77 C ATOM 1180 CD2 LEU A 128 21.404 13.446 16.668 1.00 16.30 C ATOM 1181 H LEU A 128 22.735 17.069 17.006 1.00 0.00 H ATOM 1182 N GLN A 129 23.695 16.972 20.190 1.00 10.56 N ATOM 1183 CA GLN A 129 24.299 17.323 21.469 1.00 9.64 C ATOM 1184 C GLN A 129 23.457 18.337 22.255 1.00 11.43 C ATOM 1185 O GLN A 129 23.963 18.970 23.205 1.00 12.49 O ATOM 1186 CB GLN A 129 25.757 17.783 21.264 1.00 9.85 C ATOM 1187 CG GLN A 129 26.679 16.551 21.043 1.00 15.26 C ATOM 1188 CD GLN A 129 28.138 16.875 20.866 1.00 24.48 C ATOM 1189 OE1 GLN A 129 28.525 18.037 20.771 1.00 16.87 O ATOM 1190 NE2 GLN A 129 28.998 15.848 20.828 1.00 14.93 N ATOM 1191 HE22 GLN A 129 28.647 14.872 20.910 1.00 0.00 H ATOM 1192 HE21 GLN A 129 30.016 16.026 20.716 1.00 0.00 H ATOM 1193 H GLN A 129 23.820 17.623 19.389 1.00 0.00 H ATOM 1194 N LYS A 130 22.181 18.501 21.827 1.00 9.66 N ATOM 1195 CA LYS A 130 21.180 19.360 22.466 1.00 10.72 C ATOM 1196 C LYS A 130 21.594 20.837 22.435 1.00 13.89 C ATOM 1197 O LYS A 130 21.307 21.606 23.364 1.00 14.13 O ATOM 1198 CB LYS A 130 20.862 18.864 23.913 1.00 14.35 C ATOM 1199 CG LYS A 130 20.276 17.449 23.980 1.00 26.67 C ATOM 1200 CD LYS A 130 18.765 17.441 23.689 1.00 44.94 C ATOM 1201 CE LYS A 130 18.349 16.317 22.763 1.00 47.15 C ATOM 1202 NZ LYS A 130 17.046 16.602 22.089 1.00 31.10 N ATOM 1203 HZ1 LYS A 130 16.304 16.723 22.808 1.00 0.00 H ATOM 1204 HZ2 LYS A 130 17.131 17.473 21.527 1.00 0.00 H ATOM 1205 HZ3 LYS A 130 16.799 15.808 21.465 1.00 0.00 H ATOM 1206 H LYS A 130 21.889 17.976 20.978 1.00 0.00 H ATOM 1207 N LYS A 131 22.285 21.231 21.362 1.00 10.44 N ATOM 1208 CA LYS A 131 22.687 22.622 21.213 1.00 9.08 C ATOM 1209 C LYS A 131 21.650 23.341 20.365 1.00 13.68 C ATOM 1210 O LYS A 131 20.931 22.703 19.590 1.00 13.01 O ATOM 1211 CB LYS A 131 24.081 22.716 20.557 1.00 11.35 C ATOM 1212 CG LYS A 131 25.186 22.022 21.345 1.00 17.76 C ATOM 1213 CD LYS A 131 25.462 22.747 22.652 1.00 31.50 C ATOM 1214 CE LYS A 131 26.435 22.014 23.527 1.00 39.01 C ATOM 1215 NZ LYS A 131 26.531 22.641 24.874 1.00 36.86 N ATOM 1216 HZ1 LYS A 131 26.851 23.625 24.775 1.00 0.00 H ATOM 1217 HZ2 LYS A 131 25.597 22.624 25.331 1.00 0.00 H ATOM 1218 HZ3 LYS A 131 27.212 22.110 25.454 1.00 0.00 H ATOM 1219 H LYS A 131 22.538 20.539 20.628 1.00 0.00 H ATOM 1220 N LYS A 132 21.523 24.667 20.554 1.00 8.98 N ATOM 1221 CA LYS A 132 20.604 25.471 19.749 1.00 7.44 C ATOM 1222 C LYS A 132 21.456 26.265 18.791 1.00 10.14 C ATOM 1223 O LYS A 132 22.595 26.577 19.127 1.00 10.70 O ATOM 1224 CB LYS A 132 19.750 26.392 20.624 1.00 9.52 C ATOM 1225 CG LYS A 132 18.779 25.591 21.495 1.00 11.48 C ATOM 1226 CD LYS A 132 18.059 26.440 22.480 1.00 18.14 C ATOM 1227 CE LYS A 132 17.259 25.562 23.417 1.00 42.47 C ATOM 1228 NZ LYS A 132 18.124 24.833 24.386 1.00 62.11 N ATOM 1229 HZ1 LYS A 132 18.790 24.227 23.866 1.00 0.00 H ATOM 1230 HZ2 LYS A 132 18.654 25.519 24.961 1.00 0.00 H ATOM 1231 HZ3 LYS A 132 17.530 24.246 25.005 1.00 0.00 H ATOM 1232 H LYS A 132 22.092 25.131 21.290 1.00 0.00 H ATOM 1233 N PHE A 133 20.921 26.637 17.616 1.00 8.46 N ATOM 1234 CA PHE A 133 21.766 27.321 16.639 1.00 7.48 C ATOM 1235 C PHE A 133 21.038 28.251 15.702 1.00 9.93 C ATOM 1236 O PHE A 133 19.834 28.135 15.527 1.00 7.29 O ATOM 1237 CB PHE A 133 22.517 26.251 15.789 1.00 9.77 C ATOM 1238 CG PHE A 133 21.587 25.226 15.180 1.00 11.19 C ATOM 1239 CD1 PHE A 133 20.931 25.480 13.976 1.00 11.00 C ATOM 1240 CD2 PHE A 133 21.331 24.019 15.832 1.00 13.33 C ATOM 1241 CE1 PHE A 133 20.017 24.553 13.454 1.00 12.34 C ATOM 1242 CE2 PHE A 133 20.409 23.104 15.310 1.00 16.91 C ATOM 1243 CZ PHE A 133 19.786 23.363 14.105 1.00 13.52 C ATOM 1244 H PHE A 133 19.922 26.441 17.405 1.00 0.00 H ATOM 1245 N HIS A 134 21.791 29.176 15.096 1.00 8.28 N ATOM 1246 CA HIS A 134 21.357 30.053 14.016 1.00 7.03 C ATOM 1247 C HIS A 134 22.275 29.739 12.861 1.00 10.94 C ATOM 1248 O HIS A 134 23.501 29.700 13.029 1.00 10.45 O ATOM 1249 CB HIS A 134 21.477 31.538 14.379 1.00 8.25 C ATOM 1250 CG HIS A 134 20.333 32.049 15.194 1.00 12.38 C ATOM 1251 ND1 HIS A 134 20.217 33.389 15.485 1.00 15.36 N ATOM 1252 CD2 HIS A 134 19.301 31.378 15.770 1.00 14.37 C ATOM 1253 CE1 HIS A 134 19.134 33.501 16.242 1.00 15.05 C ATOM 1254 NE2 HIS A 134 18.523 32.327 16.393 1.00 14.58 N ATOM 1255 H HIS A 134 22.772 29.278 15.425 1.00 0.00 H ATOM 1256 N GLY A 135 21.693 29.495 11.688 1.00 8.46 N ATOM 1257 CA GLY A 135 22.498 29.190 10.504 1.00 8.20 C ATOM 1258 C GLY A 135 22.017 29.868 9.228 1.00 9.41 C ATOM 1259 O GLY A 135 20.885 30.355 9.170 1.00 8.39 O ATOM 1260 H GLY A 135 20.656 29.521 11.613 1.00 0.00 H ATOM 1261 N TYR A 136 22.895 29.940 8.222 1.00 7.05 N ATOM 1262 CA TYR A 136 22.575 30.482 6.908 1.00 8.43 C ATOM 1263 C TYR A 136 23.370 29.667 5.926 1.00 10.83 C ATOM 1264 O TYR A 136 24.571 29.527 6.125 1.00 9.42 O ATOM 1265 CB TYR A 136 22.943 31.984 6.791 1.00 11.38 C ATOM 1266 CG TYR A 136 23.154 32.435 5.366 1.00 16.55 C ATOM 1267 CD1 TYR A 136 22.079 32.751 4.552 1.00 18.21 C ATOM 1268 CD2 TYR A 136 24.429 32.513 4.822 1.00 19.94 C ATOM 1269 CE1 TYR A 136 22.265 33.124 3.223 1.00 17.17 C ATOM 1270 CE2 TYR A 136 24.628 32.869 3.494 1.00 21.23 C ATOM 1271 CZ TYR A 136 23.547 33.204 2.706 1.00 22.93 C ATOM 1272 OH TYR A 136 23.777 33.606 1.418 1.00 25.78 O ATOM 1273 HH TYR A 136 22.914 33.812 0.979 1.00 0.00 H ATOM 1274 H TYR A 136 23.860 29.590 8.387 1.00 0.00 H ATOM 1275 N PHE A 137 22.727 29.146 4.870 1.00 6.83 N ATOM 1276 CA PHE A 137 23.436 28.357 3.860 1.00 5.70 C ATOM 1277 C PHE A 137 23.050 28.894 2.508 1.00 8.59 C ATOM 1278 O PHE A 137 21.870 28.980 2.208 1.00 6.38 O ATOM 1279 CB PHE A 137 23.079 26.842 3.946 1.00 6.69 C ATOM 1280 CG PHE A 137 23.589 26.153 5.192 1.00 7.62 C ATOM 1281 CD1 PHE A 137 22.917 26.287 6.406 1.00 8.91 C ATOM 1282 CD2 PHE A 137 24.769 25.406 5.163 1.00 8.83 C ATOM 1283 CE1 PHE A 137 23.430 25.704 7.573 1.00 9.37 C ATOM 1284 CE2 PHE A 137 25.279 24.837 6.325 1.00 9.05 C ATOM 1285 CZ PHE A 137 24.592 24.969 7.519 1.00 7.21 C ATOM 1286 H PHE A 137 21.705 29.306 4.766 1.00 0.00 H ATOM 1287 N LYS A 138 24.037 29.235 1.694 1.00 7.93 N ATOM 1288 CA LYS A 138 23.810 29.688 0.327 1.00 8.47 C ATOM 1289 C LYS A 138 24.135 28.508 -0.577 1.00 10.34 C ATOM 1290 O LYS A 138 25.291 28.036 -0.619 1.00 9.36 O ATOM 1291 CB LYS A 138 24.738 30.863 0.001 1.00 10.39 C ATOM 1292 CG LYS A 138 24.721 31.234 -1.485 1.00 13.70 C ATOM 1293 CD LYS A 138 25.394 32.583 -1.725 1.00 15.19 C ATOM 1294 CE LYS A 138 26.502 32.554 -2.726 1.00 40.67 C ATOM 1295 NZ LYS A 138 26.919 33.923 -3.129 1.00 53.98 N ATOM 1296 HZ1 LYS A 138 26.109 34.420 -3.552 1.00 0.00 H ATOM 1297 HZ2 LYS A 138 27.249 34.444 -2.292 1.00 0.00 H ATOM 1298 HZ3 LYS A 138 27.690 33.859 -3.824 1.00 0.00 H ATOM 1299 H LYS A 138 25.015 29.177 2.044 1.00 0.00 H ATOM 1300 N PHE A 139 23.139 28.068 -1.335 1.00 8.37 N ATOM 1301 CA PHE A 139 23.259 26.951 -2.269 1.00 7.87 C ATOM 1302 C PHE A 139 23.296 27.400 -3.699 1.00 11.76 C ATOM 1303 O PHE A 139 22.672 28.386 -4.062 1.00 12.66 O ATOM 1304 CB PHE A 139 21.999 26.042 -2.157 1.00 8.75 C ATOM 1305 CG PHE A 139 22.027 24.981 -1.097 1.00 8.01 C ATOM 1306 CD1 PHE A 139 21.751 25.296 0.231 1.00 9.05 C ATOM 1307 CD2 PHE A 139 22.281 23.654 -1.427 1.00 11.39 C ATOM 1308 CE1 PHE A 139 21.779 24.307 1.226 1.00 7.84 C ATOM 1309 CE2 PHE A 139 22.308 22.661 -0.427 1.00 11.62 C ATOM 1310 CZ PHE A 139 22.014 22.991 0.876 1.00 9.03 C ATOM 1311 H PHE A 139 22.219 28.546 -1.260 1.00 0.00 H ATOM 1312 N GLN A 140 23.944 26.593 -4.543 1.00 10.39 N ATOM 1313 CA GLN A 140 23.873 26.763 -5.981 1.00 11.05 C ATOM 1314 C GLN A 140 23.261 25.448 -6.431 1.00 17.64 C ATOM 1315 O GLN A 140 23.878 24.398 -6.285 1.00 17.49 O ATOM 1316 CB GLN A 140 25.236 27.053 -6.614 1.00 12.77 C ATOM 1317 CG GLN A 140 25.122 27.176 -8.152 1.00 18.20 C ATOM 1318 CD GLN A 140 26.358 27.760 -8.823 1.00 45.23 C ATOM 1319 OE1 GLN A 140 27.441 27.896 -8.246 1.00 31.10 O ATOM 1320 NE2 GLN A 140 26.238 28.066 -10.099 1.00 59.88 N ATOM 1321 HE22 GLN A 140 25.322 27.949 -10.578 1.00 0.00 H ATOM 1322 HE21 GLN A 140 27.059 28.425 -10.627 1.00 0.00 H ATOM 1323 H GLN A 140 24.518 25.817 -4.156 1.00 0.00 H ATOM 1324 N GLY A 141 22.004 25.500 -6.854 1.00 14.28 N ATOM 1325 CA GLY A 141 21.269 24.285 -7.149 1.00 14.50 C ATOM 1326 C GLY A 141 20.941 23.552 -5.859 1.00 18.14 C ATOM 1327 O GLY A 141 20.967 24.152 -4.775 1.00 17.13 O ATOM 1328 H GLY A 141 21.541 26.423 -6.975 1.00 0.00 H ATOM 1329 N GLN A 142 20.710 22.244 -5.924 1.00 13.56 N ATOM 1330 CA GLN A 142 20.331 21.546 -4.685 1.00 14.50 C ATOM 1331 C GLN A 142 21.455 20.730 -4.025 1.00 14.86 C ATOM 1332 O GLN A 142 21.239 20.132 -2.968 1.00 13.20 O ATOM 1333 CB GLN A 142 19.096 20.666 -4.954 1.00 17.08 C ATOM 1334 CG GLN A 142 17.829 21.477 -5.208 1.00 31.61 C ATOM 1335 CD GLN A 142 16.568 20.643 -5.243 1.00 57.15 C ATOM 1336 OE1 GLN A 142 16.547 19.458 -4.889 1.00 52.16 O ATOM 1337 NE2 GLN A 142 15.472 21.258 -5.656 1.00 56.10 N ATOM 1338 HE22 GLN A 142 15.514 22.255 -5.949 1.00 0.00 H ATOM 1339 HE21 GLN A 142 14.568 20.744 -5.688 1.00 0.00 H ATOM 1340 H GLN A 142 20.795 21.729 -6.824 1.00 0.00 H ATOM 1341 N ASP A 143 22.673 20.753 -4.593 1.00 11.56 N ATOM 1342 CA ASP A 143 23.746 19.911 -4.068 1.00 11.87 C ATOM 1343 C ASP A 143 24.969 20.637 -3.590 1.00 14.62 C ATOM 1344 O ASP A 143 25.821 20.012 -2.965 1.00 15.53 O ATOM 1345 CB ASP A 143 24.200 18.925 -5.171 1.00 14.36 C ATOM 1346 CG ASP A 143 23.099 18.071 -5.741 1.00 23.35 C ATOM 1347 OD1 ASP A 143 22.147 17.774 -5.006 1.00 19.88 O ATOM 1348 OD2 ASP A 143 23.183 17.724 -6.926 1.00 29.46 O ATOM 1349 H ASP A 143 22.853 21.372 -5.409 1.00 0.00 H ATOM 1350 N THR A 144 25.127 21.898 -3.968 1.00 9.15 N ATOM 1351 CA THR A 144 26.362 22.623 -3.649 1.00 9.25 C ATOM 1352 C THR A 144 26.183 23.745 -2.657 1.00 13.31 C ATOM 1353 O THR A 144 25.431 24.684 -2.919 1.00 12.07 O ATOM 1354 CB THR A 144 26.991 23.145 -4.959 1.00 15.43 C ATOM 1355 OG1 THR A 144 27.094 22.066 -5.901 1.00 14.02 O ATOM 1356 CG2 THR A 144 28.340 23.817 -4.739 1.00 12.65 C ATOM 1357 HG1 THR A 144 27.664 21.351 -5.521 1.00 0.00 H ATOM 1358 H THR A 144 24.369 22.377 -4.495 1.00 0.00 H ATOM 1359 N ILE A 145 26.936 23.688 -1.549 1.00 9.16 N ATOM 1360 CA ILE A 145 26.902 24.779 -0.597 1.00 7.42 C ATOM 1361 C ILE A 145 28.043 25.708 -1.003 1.00 10.97 C ATOM 1362 O ILE A 145 29.211 25.314 -0.925 1.00 11.38 O ATOM 1363 CB ILE A 145 27.060 24.291 0.867 1.00 9.44 C ATOM 1364 CG1 ILE A 145 25.824 23.473 1.313 1.00 10.57 C ATOM 1365 CG2 ILE A 145 27.299 25.497 1.790 1.00 8.50 C ATOM 1366 CD1 ILE A 145 26.084 22.708 2.699 1.00 10.51 C ATOM 1367 H ILE A 145 27.543 22.862 -1.374 1.00 0.00 H ATOM 1368 N LEU A 146 27.708 26.940 -1.430 1.00 8.16 N ATOM 1369 CA LEU A 146 28.715 27.946 -1.795 1.00 9.30 C ATOM 1370 C LEU A 146 29.387 28.548 -0.559 1.00 12.14 C ATOM 1371 O LEU A 146 30.601 28.716 -0.552 1.00 11.31 O ATOM 1372 CB LEU A 146 28.110 29.064 -2.656 1.00 9.68 C ATOM 1373 CG LEU A 146 27.481 28.597 -3.984 1.00 13.00 C ATOM 1374 CD1 LEU A 146 26.921 29.781 -4.727 1.00 14.03 C ATOM 1375 CD2 LEU A 146 28.521 27.898 -4.880 1.00 13.84 C ATOM 1376 H LEU A 146 26.701 27.189 -1.504 1.00 0.00 H ATOM 1377 N ASP A 147 28.593 28.937 0.451 1.00 10.15 N ATOM 1378 CA ASP A 147 29.088 29.490 1.708 1.00 11.07 C ATOM 1379 C ASP A 147 28.044 29.306 2.775 1.00 10.93 C ATOM 1380 O ASP A 147 26.896 28.981 2.471 1.00 10.45 O ATOM 1381 CB ASP A 147 29.557 30.951 1.598 1.00 14.29 C ATOM 1382 CG ASP A 147 28.519 31.938 1.145 1.00 27.76 C ATOM 1383 OD1 ASP A 147 27.767 32.442 2.007 1.00 30.12 O ATOM 1384 OD2 ASP A 147 28.526 32.294 -0.051 1.00 30.56 O ATOM 1385 H ASP A 147 27.565 28.839 0.331 1.00 0.00 H ATOM 1386 N TYR A 148 28.447 29.454 4.029 1.00 8.91 N ATOM 1387 CA TYR A 148 27.497 29.285 5.124 1.00 8.83 C ATOM 1388 C TYR A 148 28.035 29.927 6.362 1.00 11.66 C ATOM 1389 O TYR A 148 29.244 30.215 6.452 1.00 11.12 O ATOM 1390 CB TYR A 148 27.235 27.766 5.385 1.00 9.10 C ATOM 1391 CG TYR A 148 28.297 27.093 6.228 1.00 8.22 C ATOM 1392 CD1 TYR A 148 29.523 26.733 5.680 1.00 10.37 C ATOM 1393 CD2 TYR A 148 28.090 26.851 7.584 1.00 9.78 C ATOM 1394 CE1 TYR A 148 30.551 26.226 6.480 1.00 14.09 C ATOM 1395 CE2 TYR A 148 29.088 26.294 8.380 1.00 11.23 C ATOM 1396 CZ TYR A 148 30.327 26.007 7.829 1.00 16.35 C ATOM 1397 OH TYR A 148 31.323 25.447 8.604 1.00 17.42 O ATOM 1398 HH TYR A 148 31.014 24.576 8.958 1.00 0.00 H ATOM 1399 H TYR A 148 29.439 29.690 4.232 1.00 0.00 H ATOM 1400 N THR A 149 27.151 30.108 7.337 1.00 9.98 N ATOM 1401 CA THR A 149 27.506 30.545 8.689 1.00 9.77 C ATOM 1402 C THR A 149 26.673 29.681 9.609 1.00 12.40 C ATOM 1403 O THR A 149 25.555 29.290 9.263 1.00 11.54 O ATOM 1404 CB THR A 149 27.269 32.050 8.968 1.00 14.26 C ATOM 1405 OG1 THR A 149 25.908 32.376 8.804 1.00 15.63 O ATOM 1406 CG2 THR A 149 28.128 32.963 8.136 1.00 13.52 C ATOM 1407 HG1 THR A 149 25.777 33.340 8.986 1.00 0.00 H ATOM 1408 H THR A 149 26.148 29.929 7.128 1.00 0.00 H ATOM 1409 N LEU A 150 27.214 29.364 10.771 1.00 8.65 N ATOM 1410 CA LEU A 150 26.484 28.541 11.737 1.00 8.38 C ATOM 1411 C LEU A 150 27.060 28.825 13.095 1.00 13.31 C ATOM 1412 O LEU A 150 28.280 28.721 13.280 1.00 13.73 O ATOM 1413 CB LEU A 150 26.629 27.045 11.373 1.00 7.85 C ATOM 1414 CG LEU A 150 25.878 26.031 12.243 1.00 11.25 C ATOM 1415 CD1 LEU A 150 24.343 26.233 12.161 1.00 10.60 C ATOM 1416 CD2 LEU A 150 26.226 24.591 11.804 1.00 11.53 C ATOM 1417 H LEU A 150 28.170 29.703 11.003 1.00 0.00 H ATOM 1418 N ARG A 151 26.205 29.266 14.014 1.00 9.51 N ATOM 1419 CA ARG A 151 26.653 29.540 15.375 1.00 11.25 C ATOM 1420 C ARG A 151 25.675 29.014 16.386 1.00 12.40 C ATOM 1421 O ARG A 151 24.462 29.021 16.154 1.00 10.39 O ATOM 1422 CB ARG A 151 26.915 31.034 15.594 1.00 13.68 C ATOM 1423 CG ARG A 151 25.688 31.938 15.484 1.00 19.96 C ATOM 1424 CD ARG A 151 26.016 33.379 15.878 1.00 37.49 C ATOM 1425 NE ARG A 151 24.823 34.229 15.832 1.00 39.22 N ATOM 1426 CZ ARG A 151 24.169 34.660 16.906 1.00 51.21 C ATOM 1427 NH1 ARG A 151 24.596 34.351 18.123 1.00 42.46 N ATOM 1428 NH2 ARG A 151 23.081 35.416 16.767 1.00 32.07 N ATOM 1429 HE ARG A 151 24.465 34.514 14.898 1.00 0.00 H ATOM 1430 HH12 ARG A 151 24.078 34.692 18.958 1.00 0.00 H ATOM 1431 HH11 ARG A 151 25.448 33.767 18.242 1.00 0.00 H ATOM 1432 HH22 ARG A 151 22.571 35.752 17.608 1.00 0.00 H ATOM 1433 HH21 ARG A 151 22.742 35.670 15.817 1.00 0.00 H ATOM 1434 H ARG A 151 25.208 29.417 13.760 1.00 0.00 H ATOM 1435 N GLU A 152 26.207 28.615 17.545 1.00 10.43 N ATOM 1436 CA GLU A 152 25.391 28.161 18.654 1.00 9.90 C ATOM 1437 C GLU A 152 24.828 29.370 19.353 1.00 11.77 C ATOM 1438 O GLU A 152 25.474 30.435 19.386 1.00 13.22 O ATOM 1439 CB GLU A 152 26.231 27.354 19.625 1.00 11.95 C ATOM 1440 CG GLU A 152 26.593 26.025 19.027 1.00 19.09 C ATOM 1441 CD GLU A 152 27.519 25.222 19.900 1.00 29.98 C ATOM 1442 OE1 GLU A 152 27.397 25.298 21.144 1.00 18.61 O ATOM 1443 OE2 GLU A 152 28.373 24.513 19.329 1.00 27.43 O ATOM 1444 H GLU A 152 27.241 28.631 17.655 1.00 0.00 H ATOM 1445 N VAL A 153 23.613 29.229 19.865 1.00 7.44 N ATOM 1446 CA VAL A 153 22.913 30.316 20.553 1.00 7.04 C ATOM 1447 C VAL A 153 22.268 29.781 21.845 1.00 12.23 C ATOM 1448 O VAL A 153 22.035 28.578 21.973 1.00 10.14 O ATOM 1449 CB VAL A 153 21.827 30.954 19.632 1.00 10.36 C ATOM 1450 CG1 VAL A 153 22.442 31.578 18.373 1.00 10.82 C ATOM 1451 CG2 VAL A 153 20.698 29.966 19.289 1.00 9.65 C ATOM 1452 H VAL A 153 23.138 28.309 19.774 1.00 0.00 H ATOM 1453 N ASP A 154 21.935 30.678 22.764 1.00 10.08 N ATOM 1454 CA ASP A 154 21.206 30.282 23.967 1.00 9.88 C ATOM 1455 C ASP A 154 19.724 30.381 23.735 1.00 15.76 C ATOM 1456 O ASP A 154 18.961 29.644 24.362 1.00 16.34 O ATOM 1457 CB ASP A 154 21.616 31.178 25.135 1.00 10.96 C ATOM 1458 CG ASP A 154 23.061 30.950 25.514 1.00 18.34 C ATOM 1459 OD1 ASP A 154 23.485 29.779 25.546 1.00 18.51 O ATOM 1460 OD2 ASP A 154 23.766 31.941 25.761 1.00 24.08 O ATOM 1461 H ASP A 154 22.196 31.675 22.627 1.00 0.00 H ATOM 1462 N THR A 155 19.309 31.315 22.869 1.00 12.53 N ATOM 1463 CA THR A 155 17.895 31.546 22.575 1.00 12.51 C ATOM 1464 C THR A 155 17.724 31.508 21.071 1.00 15.53 C ATOM 1465 O THR A 155 18.371 32.282 20.370 1.00 15.18 O ATOM 1466 CB THR A 155 17.463 32.936 23.141 1.00 24.75 C ATOM 1467 OG1 THR A 155 17.914 33.031 24.488 1.00 32.02 O ATOM 1468 CG2 THR A 155 15.955 33.141 23.109 1.00 27.74 C ATOM 1469 HG1 THR A 155 17.648 33.908 24.863 1.00 0.00 H ATOM 1470 H THR A 155 20.021 31.899 22.386 1.00 0.00 H ATOM 1471 N VAL A 156 16.826 30.649 20.571 1.00 11.28 N ATOM 1472 CA VAL A 156 16.587 30.580 19.128 1.00 8.95 C ATOM 1473 C VAL A 156 15.857 31.846 18.673 1.00 18.40 C ATOM 1474 O VAL A 156 14.882 32.229 19.340 1.00 13.01 O ATOM 1475 CB VAL A 156 15.801 29.283 18.784 1.00 13.23 C ATOM 1476 CG1 VAL A 156 15.462 29.205 17.307 1.00 13.64 C ATOM 1477 CG2 VAL A 156 16.588 28.058 19.229 1.00 13.16 C ATOM 1478 OXT VAL A 156 16.207 32.402 17.611 1.00 19.72 O ATOM 1479 H VAL A 156 16.295 30.026 21.212 1.00 0.00 H TER 1480 VAL A 156 HETATM 1481 O HOH 1 10.457 36.449 -1.310 1.00 39.53 O HETATM 1482 O HOH 2 9.916 38.493 4.918 1.00 42.06 O HETATM 1483 O HOH 3 10.416 34.768 7.634 1.00 22.59 O HETATM 1484 O HOH 4 2.713 29.287 -2.701 1.00 60.70 O HETATM 1485 O HOH 5 6.136 33.277 5.168 1.00 11.72 O HETATM 1486 O HOH 6 5.094 29.728 4.838 1.00 14.42 O HETATM 1487 O HOH 7 10.364 29.765 -0.380 1.00 15.98 O HETATM 1488 O HOH 8 11.090 26.196 -1.849 1.00 38.10 O HETATM 1489 O HOH 9 19.179 13.076 22.209 1.00 58.14 O HETATM 1490 O HOH 10 4.490 24.423 9.005 1.00 13.53 O HETATM 1491 O HOH 11 11.570 13.650 12.551 1.00 10.46 O HETATM 1492 O HOH 12 9.231 4.149 -2.626 1.00 30.78 O HETATM 1493 O HOH 13 14.458 15.322 21.447 1.00 22.49 O HETATM 1494 O HOH 14 16.348 12.503 22.914 1.00 34.15 O HETATM 1495 O HOH 15 13.178 5.497 22.452 1.00 45.72 O HETATM 1496 O HOH 16 8.335 5.697 19.461 1.00 36.47 O HETATM 1497 O HOH 17 18.776 13.731 -4.335 1.00 58.79 O HETATM 1498 O HOH 18 20.643 4.101 5.261 1.00 36.80 O HETATM 1499 O HOH 19 15.883 5.644 21.607 1.00 19.96 O HETATM 1500 O HOH 20 21.540 10.012 23.555 1.00 32.43 O HETATM 1501 O HOH 21 22.091 5.341 22.293 1.00 41.22 O HETATM 1502 O HOH 22 8.045 22.397 1.343 1.00 38.82 O HETATM 1503 O HOH 23 10.106 1.097 16.875 1.00 23.93 O HETATM 1504 O HOH 24 14.554 1.816 15.775 1.00 35.38 O HETATM 1505 O HOH 25 0.478 26.721 2.940 1.00 40.95 O HETATM 1506 O HOH 26 -5.036 28.712 5.541 1.00 29.35 O HETATM 1507 O HOH 27 -3.872 26.852 13.693 1.00 27.58 O HETATM 1508 O HOH 28 3.628 29.617 19.748 1.00 30.24 O HETATM 1509 O HOH 29 8.219 29.012 17.354 1.00 24.78 O HETATM 1510 O HOH 30 6.326 13.733 -1.801 1.00 30.97 O HETATM 1511 O HOH 31 6.316 4.329 -2.742 1.00 54.55 O HETATM 1512 O HOH 32 13.993 18.869 -5.690 1.00 29.81 O HETATM 1513 O HOH 33 7.370 16.523 -8.529 1.00 45.13 O HETATM 1514 O HOH 34 5.239 17.536 -6.069 1.00 38.23 O HETATM 1515 O HOH 35 7.627 20.915 -3.485 1.00 38.88 O HETATM 1516 O HOH 36 10.536 18.819 2.154 1.00 41.62 O HETATM 1517 O HOH 37 13.080 19.170 1.213 1.00 18.37 O HETATM 1518 O HOH 38 13.640 15.841 1.439 1.00 19.43 O HETATM 1519 O HOH 39 19.747 11.349 -1.888 1.00 24.37 O HETATM 1520 O HOH 40 11.893 33.766 15.829 1.00 39.49 O HETATM 1521 O HOH 41 21.570 13.736 -1.227 1.00 28.35 O HETATM 1522 O HOH 42 17.794 26.460 -7.486 1.00 30.92 O HETATM 1523 O HOH 43 17.728 16.418 4.658 1.00 9.96 O HETATM 1524 O HOH 44 19.830 5.690 2.761 1.00 34.10 O HETATM 1525 O HOH 45 9.678 32.988 -6.005 1.00 42.12 O HETATM 1526 O HOH 46 16.455 17.343 8.260 1.00 16.56 O HETATM 1527 O HOH 47 9.882 17.256 4.827 1.00 30.83 O HETATM 1528 O HOH 48 11.438 16.351 2.863 1.00 35.21 O HETATM 1529 O HOH 49 6.310 20.170 2.889 1.00 27.69 O HETATM 1530 O HOH 50 4.303 23.106 2.614 1.00 23.69 O HETATM 1531 O HOH 51 1.208 24.528 4.474 1.00 35.84 O HETATM 1532 O HOH 52 4.592 1.101 6.832 1.00 34.13 O HETATM 1533 O HOH 53 -2.447 30.250 4.417 1.00 20.53 O HETATM 1534 O HOH 54 -5.610 30.783 7.241 1.00 22.52 O HETATM 1535 O HOH 55 -4.800 28.663 10.504 1.00 49.84 O HETATM 1536 O HOH 56 12.436 6.879 -2.935 1.00 37.96 O HETATM 1537 O HOH 57 -2.634 32.148 15.929 1.00 37.89 O HETATM 1538 O HOH 58 8.251 2.992 10.994 1.00 26.17 O HETATM 1539 O HOH 59 -2.722 24.562 12.757 1.00 28.59 O HETATM 1540 O HOH 60 26.217 13.805 13.295 1.00 33.17 O HETATM 1541 O HOH 61 -2.133 28.650 15.062 1.00 17.62 O HETATM 1542 O HOH 62 1.456 28.153 19.228 1.00 23.24 O HETATM 1543 O HOH 63 4.549 32.149 15.372 1.00 22.90 O HETATM 1544 O HOH 64 5.130 29.677 17.467 1.00 13.45 O HETATM 1545 O HOH 65 27.012 15.910 1.540 1.00 51.22 O HETATM 1546 O HOH 66 7.611 27.542 19.937 1.00 33.12 O HETATM 1547 O HOH 67 5.751 23.156 23.370 1.00 35.48 O HETATM 1548 O HOH 68 28.496 19.936 1.594 1.00 32.51 O HETATM 1549 O HOH 69 -1.332 22.560 14.785 1.00 16.08 O HETATM 1550 O HOH 70 -1.378 23.251 17.630 1.00 37.15 O HETATM 1551 O HOH 71 30.622 19.122 8.062 1.00 38.90 O HETATM 1552 O HOH 72 26.482 13.142 19.211 1.00 25.76 O HETATM 1553 O HOH 73 27.808 14.189 15.412 1.00 26.77 O HETATM 1554 O HOH 74 1.726 16.347 15.314 1.00 15.99 O HETATM 1555 O HOH 75 22.627 25.298 25.263 1.00 29.56 O HETATM 1556 O HOH 76 22.424 33.698 11.034 1.00 38.12 O HETATM 1557 O HOH 77 3.428 18.784 3.616 1.00 39.71 O HETATM 1558 O HOH 78 -3.177 18.052 11.385 1.00 37.49 O HETATM 1559 O HOH 79 -1.455 10.521 8.478 1.00 30.89 O HETATM 1560 O HOH 80 -3.729 19.252 8.437 1.00 30.16 O HETATM 1561 O HOH 81 3.004 9.881 5.757 1.00 28.29 O HETATM 1562 O HOH 82 15.079 30.366 25.191 1.00 39.96 O HETATM 1563 O HOH 83 -1.743 8.347 11.997 1.00 44.53 O HETATM 1564 O HOH 84 0.088 7.502 13.833 1.00 39.52 O HETATM 1565 O HOH 85 10.010 16.577 24.148 1.00 28.12 O HETATM 1566 O HOH 86 14.383 26.736 22.761 1.00 23.00 O HETATM 1567 O HOH 87 13.924 32.070 15.230 1.00 32.95 O HETATM 1568 O HOH 88 15.917 34.736 15.938 1.00 30.93 O HETATM 1569 O HOH 89 12.981 35.362 12.818 1.00 38.62 O HETATM 1570 O HOH 90 16.708 31.867 -2.331 1.00 9.74 O HETATM 1571 O HOH 91 20.430 27.948 -7.425 1.00 17.10 O HETATM 1572 O HOH 92 12.023 32.013 -5.022 1.00 17.05 O HETATM 1573 O HOH 93 12.856 29.532 -1.777 1.00 29.28 O HETATM 1574 O HOH 94 14.675 35.632 8.351 1.00 41.64 O HETATM 1575 O HOH 95 18.090 18.350 20.068 1.00 25.32 O HETATM 1576 O HOH 96 12.942 17.259 23.057 1.00 34.50 O HETATM 1577 O HOH 97 6.977 9.043 23.400 1.00 35.47 O HETATM 1578 O HOH 98 3.050 7.834 23.248 1.00 38.31 O HETATM 1579 O HOH 99 1.299 5.995 20.915 1.00 36.34 O HETATM 1580 O HOH 100 6.419 5.844 17.518 1.00 28.04 O HETATM 1581 O HOH 101 4.047 -0.660 13.287 1.00 37.21 O HETATM 1582 O HOH 102 2.116 3.105 7.335 1.00 29.17 O HETATM 1583 O HOH 103 1.437 3.015 2.953 1.00 26.55 O HETATM 1584 O HOH 104 7.240 2.324 5.464 1.00 32.97 O HETATM 1585 O HOH 105 3.537 10.641 -5.852 1.00 35.28 O HETATM 1586 O HOH 106 10.613 5.946 -1.104 1.00 23.33 O HETATM 1587 O HOH 107 11.523 1.987 4.317 1.00 30.88 O HETATM 1588 O HOH 108 11.819 2.416 10.860 1.00 19.11 O HETATM 1589 O HOH 109 16.649 2.522 14.301 1.00 30.94 O HETATM 1590 O HOH 110 17.319 2.079 10.037 1.00 42.09 O HETATM 1591 O HOH 111 7.446 2.807 16.028 1.00 23.04 O HETATM 1592 O HOH 112 19.782 2.573 11.908 1.00 17.74 O HETATM 1593 O HOH 113 16.477 1.936 18.726 1.00 47.03 O HETATM 1594 O HOH 114 23.795 5.062 18.115 1.00 25.69 O HETATM 1595 O HOH 115 25.742 11.054 13.361 1.00 30.51 O HETATM 1596 O HOH 116 21.768 4.255 7.731 1.00 27.14 O HETATM 1597 O HOH 117 24.232 5.348 7.047 1.00 40.70 O HETATM 1598 O HOH 118 26.263 8.769 9.972 1.00 26.28 O HETATM 1599 O HOH 119 25.940 8.652 4.762 1.00 27.33 O HETATM 1600 O HOH 120 24.428 15.180 1.161 1.00 33.75 O HETATM 1601 O HOH 121 24.074 15.844 4.979 1.00 12.36 O HETATM 1602 O HOH 122 27.568 18.092 3.437 1.00 19.35 O HETATM 1603 O HOH 123 28.015 15.292 10.537 1.00 28.91 O HETATM 1604 O HOH 124 29.566 19.234 11.412 1.00 30.80 O HETATM 1605 O HOH 125 27.207 15.469 17.661 1.00 16.31 O HETATM 1606 O HOH 126 21.413 12.695 20.732 1.00 38.88 O HETATM 1607 O HOH 127 23.605 14.078 23.512 1.00 38.90 O HETATM 1608 O HOH 128 28.025 13.099 21.551 1.00 17.41 O HETATM 1609 O HOH 129 17.882 22.173 23.202 1.00 31.86 O HETATM 1610 O HOH 130 21.527 22.883 25.789 1.00 40.66 O HETATM 1611 O HOH 131 23.199 20.815 26.326 1.00 49.16 O HETATM 1612 O HOH 132 18.933 21.013 20.479 1.00 23.24 O HETATM 1613 O HOH 133 24.211 23.340 26.237 1.00 48.77 O HETATM 1614 O HOH 134 22.911 26.084 22.596 1.00 14.73 O HETATM 1615 O HOH 135 17.987 23.783 26.989 1.00 38.08 O HETATM 1616 O HOH 136 19.491 27.177 25.363 1.00 49.87 O HETATM 1617 O HOH 137 24.537 32.056 11.424 1.00 26.66 O HETATM 1618 O HOH 138 22.288 35.483 13.907 1.00 55.33 O HETATM 1619 O HOH 139 19.883 32.614 10.708 1.00 29.11 O HETATM 1620 O HOH 140 24.265 21.845 -6.914 1.00 18.71 O HETATM 1621 O HOH 141 20.651 21.079 -8.475 1.00 27.53 O HETATM 1622 O HOH 142 25.721 17.236 -2.400 1.00 36.36 O HETATM 1623 O HOH 143 27.747 17.504 -4.494 1.00 34.41 O HETATM 1624 O HOH 144 25.786 16.123 -6.785 1.00 42.16 O HETATM 1625 O HOH 145 28.661 19.902 -5.478 1.00 29.78 O HETATM 1626 O HOH 146 33.061 28.843 0.579 1.00 30.95 O HETATM 1627 O HOH 147 31.849 28.414 3.577 1.00 30.72 O HETATM 1628 O HOH 148 31.829 30.154 5.577 1.00 28.51 O HETATM 1629 O HOH 149 30.548 24.832 11.260 1.00 29.57 O HETATM 1630 O HOH 150 24.857 35.006 8.293 1.00 26.41 O HETATM 1631 O HOH 151 29.500 26.006 13.722 1.00 36.78 O HETATM 1632 O HOH 152 26.654 37.075 15.606 1.00 38.24 O HETATM 1633 O HOH 153 29.172 28.606 17.849 1.00 19.25 O HETATM 1634 O HOH 154 25.766 26.168 23.108 1.00 30.08 O HETATM 1635 O HOH 155 28.880 22.469 20.887 1.00 21.09 O HETATM 1636 O HOH 156 21.026 33.676 22.435 1.00 19.55 O HETATM 1637 O HOH 157 23.656 33.190 22.244 1.00 35.09 O HETATM 1638 O HOH 158 16.813 28.267 25.457 1.00 40.31 O HETATM 1639 O HOH 159 25.956 29.667 23.021 1.00 32.12 O HETATM 1640 O HOH 160 15.220 29.288 22.553 1.00 18.92 O HETATM 1641 O HOH 161 13.507 31.305 21.433 1.00 24.55 O HETATM 1642 O HOH 162 12.061 31.722 17.627 1.00 33.66 O HETATM 1643 O HOH 163 13.021 21.840 1.707 1.00 32.11 O HETATM 1644 O HOH 164 33.819 32.479 12.492 1.00 33.27 O HETATM 1645 O2 S A 76 17.528 19.505 6.479 1.00 -0.38 O HETATM 1646 C2 S A 76 17.075 20.148 5.539 1.00 0.33 C HETATM 1647 N3 S A 76 15.738 20.123 5.220 1.00 -0.17 N HETATM 1648 C4 S A 76 15.118 20.857 4.219 1.00 0.23 C HETATM 1649 O4 S A 76 13.913 20.650 3.983 1.00 -0.38 O HETATM 1650 C5 S A 76 15.979 21.710 3.455 1.00 0.13 C HETATM 1651 C6 S A 76 17.311 21.810 3.768 1.00 0.14 C HETATM 1652 N1 S A 76 17.849 21.034 4.830 1.00 -0.18 N HETATM 1653 H4 S A 76 18.815 21.136 5.067 1.00 0.25 H HETATM 1654 N6 S A 76 18.200 22.530 3.047 1.00 -0.38 N HETATM 1655 C7 S A 76 17.832 23.393 1.938 1.00 -0.04 C HETATM 1656 H5 S A 76 18.736 23.863 1.523 1.00 0.03 H HETATM 1657 H6 S A 76 17.144 24.174 2.294 1.00 0.03 H HETATM 1658 H7 S A 76 17.338 22.796 1.157 1.00 0.03 H HETATM 1659 H2 S A 76 15.561 22.725 3.525 1.00 0.08 H HETATM 1660 H3 S A 76 15.925 21.362 2.413 1.00 0.08 H HETATM 1661 H1 S A 76 15.156 19.517 5.762 1.00 0.23 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1645 1646 CONECT 1646 1645 1647 1652 CONECT 1647 1646 1648 1661 CONECT 1648 1647 1649 1650 CONECT 1649 1648 CONECT 1650 1648 1651 1659 1660 CONECT 1651 1650 1652 1654 CONECT 1652 1646 1651 1653 CONECT 1653 1652 CONECT 1654 1651 1655 CONECT 1655 1654 1656 1657 1658 CONECT 1656 1655 CONECT 1657 1655 CONECT 1658 1655 CONECT 1659 1650 CONECT 1660 1650 CONECT 1661 1647 MASTER 0 0 0 0 0 0 0 0 1660 1 21 12 END
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Protein
Pocket-Ligand
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Related entries of code: 5fso
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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PDBbind
156aa, >3WHW_1|Chains... at 100%
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PDBbind
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RCSB PDB
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PDBbind
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4n1u
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PDBbind
158aa, >4N1U_1|Chains... at 98%
5ans
RCSB PDB
PDBbind
175aa, >5ANS_1|Chain... at 93%
5ant
RCSB PDB
PDBbind
175aa, >5ANT_1|Chains... at 93%
5anu
RCSB PDB
PDBbind
158aa, >5ANU_1|Chain... at 100%
5anv
RCSB PDB
PDBbind
158aa, >5ANV_1|Chain... at 100%
5anw
RCSB PDB
PDBbind
158aa, >5ANW_1|Chain... at 100%
5fsl
RCSB PDB
PDBbind
156aa, >5FSL_1|Chain... at 100%
5fsm
RCSB PDB
PDBbind
156aa, >5FSM_1|Chain... at 100%
5fsn
RCSB PDB
PDBbind
156aa, >5FSN_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
5ngt
RCSB PDB
PDBbind
159aa, >5NGT_1|Chain... at 98%
5nhy
RCSB PDB
PDBbind
159aa, >5NHY_1|Chains... at 98%
6f1x
RCSB PDB
PDBbind
159aa, >6F1X_1|Chains... at 98%
6f20
RCSB PDB
PDBbind
159aa, >6F20_1|Chains... at 98%
6f22
RCSB PDB
PDBbind
159aa, >6F22_1|Chains... at 98%
6f23
RCSB PDB
PDBbind
159aa, >6F23_1|Chains... at 98%
6eq7
RCSB PDB
PDBbind
182aa, >6EQ7_1|Chain... at 100%
6eq6
RCSB PDB
PDBbind
182aa, >6EQ6_1|Chain... at 100%
6eq5
RCSB PDB
PDBbind
182aa, >6EQ5_1|Chain... at 100%
6eq4
RCSB PDB
PDBbind
182aa, >6EQ4_1|Chain... at 100%
6eq3
RCSB PDB
PDBbind
182aa, >6EQ3_1|Chain... at 100%
6eq2
RCSB PDB
PDBbind
182aa, >6EQ2_1|Chain... *
6aa5
RCSB PDB
PDBbind
163aa, >6AA5_1|Chain... at 94%
6aa4
RCSB PDB
PDBbind
163aa, >6AA4_1|Chain... at 94%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
5fso
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Nudix pyrophosphatase MTH1
Ligand Name
S76
EC.Number
E.C.-.-.-.-
Resolution
1.67(Å)
Affinity (Kd/Ki/IC50)
Kd=0.81uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) PLoS ONE Vol. 11: pp. e0151154-e0151154
Ligand Properties
Formula
C
5
H
7
N
3
O
2
Molecular Weight
141.128
Exact Mass
141.054
No. of atoms
17
No. of bonds
17
Polar Surface Area
70.56
LOGP Value
-0.98 (
Computed with XLOGP3
)
-0.10 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 0
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
C/N=C/1\CC(=O)NC(=O)N1
InChI String
InChI=1S/C5H7N3O2/c1-6-3-2-4(9)8-5(10)7-3/h2H2,1H3,(H2,6,7,8,9,10)
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):
P36639
Entrez Gene ID
NCBI Entrez Gene ID:
4521
ASD
Information of known allosteric effects of PDB entries
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