Browse entries in the PDBbind-CN Database
HEADER 5FSN_COMPLEX COMPND 5FSN_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 UNN A 313 26 ATOM 1 N ALA A 3 12.671 39.534 2.033 1.00 26.54 N ATOM 2 CA ALA A 3 12.197 38.584 1.028 1.00 26.40 C ATOM 3 C ALA A 3 12.293 37.137 1.546 1.00 26.99 C ATOM 4 O ALA A 3 12.818 36.264 0.848 1.00 27.12 O ATOM 5 CB ALA A 3 12.991 38.740 -0.275 1.00 27.70 C ATOM 6 HN3 ALA A 3 13.664 39.327 2.263 1.00 0.00 H ATOM 7 HN2 ALA A 3 12.090 39.448 2.891 1.00 0.00 H ATOM 8 HN1 ALA A 3 12.595 40.501 1.657 1.00 0.00 H ATOM 9 N SER A 4 11.789 36.883 2.769 1.00 21.44 N ATOM 10 CA SER A 4 11.834 35.519 3.306 1.00 19.80 C ATOM 11 C SER A 4 10.429 34.910 3.532 1.00 22.22 C ATOM 12 O SER A 4 9.444 35.645 3.715 1.00 23.47 O ATOM 13 CB SER A 4 12.705 35.436 4.557 1.00 23.93 C ATOM 14 OG SER A 4 12.053 35.929 5.714 1.00 38.25 O ATOM 15 HG SER A 4 11.233 35.400 5.880 1.00 0.00 H ATOM 16 H SER A 4 11.369 37.651 3.330 1.00 0.00 H ATOM 17 N ARG A 5 10.349 33.569 3.449 1.00 15.84 N ATOM 18 CA ARG A 5 9.134 32.767 3.622 1.00 15.15 C ATOM 19 C ARG A 5 9.349 31.801 4.774 1.00 16.02 C ATOM 20 O ARG A 5 10.392 31.133 4.835 1.00 11.80 O ATOM 21 CB ARG A 5 8.792 31.981 2.335 1.00 16.24 C ATOM 22 CG ARG A 5 7.458 31.214 2.468 1.00 23.35 C ATOM 23 CD ARG A 5 6.556 31.384 1.274 1.00 43.39 C ATOM 24 NE ARG A 5 5.258 30.741 1.482 1.00 59.33 N ATOM 25 CZ ARG A 5 4.315 30.641 0.550 1.00 78.07 C ATOM 26 NH1 ARG A 5 4.521 31.131 -0.668 1.00 66.90 N ATOM 27 NH2 ARG A 5 3.160 30.052 0.827 1.00 67.16 N ATOM 28 HE ARG A 5 5.060 30.336 2.419 1.00 0.00 H ATOM 29 HH12 ARG A 5 3.780 31.050 -1.393 1.00 0.00 H ATOM 30 HH11 ARG A 5 5.423 31.595 -0.896 1.00 0.00 H ATOM 31 HH22 ARG A 5 2.426 29.977 0.094 1.00 0.00 H ATOM 32 HH21 ARG A 5 2.988 29.665 1.777 1.00 0.00 H ATOM 33 H ARG A 5 11.229 33.055 3.243 1.00 0.00 H ATOM 34 N LEU A 6 8.360 31.723 5.686 1.00 13.55 N ATOM 35 CA LEU A 6 8.481 30.872 6.872 1.00 13.61 C ATOM 36 C LEU A 6 8.270 29.401 6.580 1.00 15.62 C ATOM 37 O LEU A 6 7.330 29.003 5.873 1.00 15.10 O ATOM 38 CB LEU A 6 7.484 31.316 7.954 1.00 14.46 C ATOM 39 CG LEU A 6 7.761 32.624 8.700 1.00 18.99 C ATOM 40 CD1 LEU A 6 6.521 33.048 9.512 1.00 19.06 C ATOM 41 CD2 LEU A 6 8.936 32.472 9.679 1.00 20.40 C ATOM 42 H LEU A 6 7.492 32.279 5.545 1.00 0.00 H ATOM 43 N TYR A 7 9.135 28.584 7.154 1.00 10.72 N ATOM 44 CA TYR A 7 9.022 27.134 7.063 1.00 9.77 C ATOM 45 C TYR A 7 9.296 26.571 8.444 1.00 12.95 C ATOM 46 O TYR A 7 9.929 27.232 9.277 1.00 12.10 O ATOM 47 CB TYR A 7 10.054 26.515 6.083 1.00 10.84 C ATOM 48 CG TYR A 7 9.797 26.823 4.628 1.00 11.28 C ATOM 49 CD1 TYR A 7 10.265 27.999 4.053 1.00 12.81 C ATOM 50 CD2 TYR A 7 9.115 25.925 3.815 1.00 12.72 C ATOM 51 CE1 TYR A 7 10.014 28.301 2.711 1.00 11.97 C ATOM 52 CE2 TYR A 7 8.888 26.201 2.459 1.00 13.45 C ATOM 53 CZ TYR A 7 9.354 27.383 1.912 1.00 15.28 C ATOM 54 OH TYR A 7 9.168 27.665 0.581 1.00 17.52 O ATOM 55 HH TYR A 7 9.566 28.548 0.373 1.00 0.00 H ATOM 56 H TYR A 7 9.927 28.991 7.691 1.00 0.00 H ATOM 57 N THR A 8 8.796 25.361 8.687 1.00 10.64 N ATOM 58 CA THR A 8 9.093 24.628 9.916 1.00 9.87 C ATOM 59 C THR A 8 9.816 23.344 9.533 1.00 9.84 C ATOM 60 O THR A 8 9.688 22.868 8.400 1.00 8.41 O ATOM 61 CB THR A 8 7.816 24.256 10.695 1.00 16.22 C ATOM 62 OG1 THR A 8 6.994 23.416 9.884 1.00 14.28 O ATOM 63 CG2 THR A 8 7.075 25.465 11.222 1.00 14.20 C ATOM 64 HG1 THR A 8 6.748 23.898 9.055 1.00 0.00 H ATOM 65 H THR A 8 8.173 24.923 7.979 1.00 0.00 H ATOM 66 N LEU A 9 10.564 22.785 10.468 1.00 6.95 N ATOM 67 CA LEU A 9 11.233 21.487 10.310 1.00 6.93 C ATOM 68 C LEU A 9 11.272 20.860 11.680 1.00 10.18 C ATOM 69 O LEU A 9 11.795 21.466 12.605 1.00 8.63 O ATOM 70 CB LEU A 9 12.658 21.661 9.706 1.00 6.40 C ATOM 71 CG LEU A 9 13.440 20.376 9.360 1.00 10.69 C ATOM 72 CD1 LEU A 9 12.773 19.610 8.240 1.00 11.27 C ATOM 73 CD2 LEU A 9 14.866 20.732 8.930 1.00 12.06 C ATOM 74 H LEU A 9 10.686 23.293 11.367 1.00 0.00 H ATOM 75 N VAL A 10 10.717 19.639 11.814 1.00 8.52 N ATOM 76 CA VAL A 10 10.615 18.897 13.081 1.00 7.68 C ATOM 77 C VAL A 10 11.429 17.637 13.024 1.00 13.45 C ATOM 78 O VAL A 10 11.281 16.843 12.090 1.00 13.93 O ATOM 79 CB VAL A 10 9.133 18.569 13.480 1.00 10.84 C ATOM 80 CG1 VAL A 10 9.060 17.823 14.819 1.00 11.78 C ATOM 81 CG2 VAL A 10 8.280 19.847 13.537 1.00 10.73 C ATOM 82 H VAL A 10 10.333 19.188 10.959 1.00 0.00 H ATOM 83 N LEU A 11 12.291 17.453 14.032 1.00 9.96 N ATOM 84 CA LEU A 11 13.086 16.239 14.183 1.00 9.54 C ATOM 85 C LEU A 11 12.549 15.492 15.387 1.00 13.10 C ATOM 86 O LEU A 11 12.574 16.003 16.514 1.00 10.65 O ATOM 87 CB LEU A 11 14.592 16.538 14.374 1.00 10.28 C ATOM 88 CG LEU A 11 15.430 16.899 13.127 1.00 16.16 C ATOM 89 CD1 LEU A 11 15.296 15.855 11.988 1.00 16.82 C ATOM 90 CD2 LEU A 11 15.169 18.324 12.667 1.00 20.18 C ATOM 91 H LEU A 11 12.399 18.209 14.738 1.00 0.00 H ATOM 92 N VAL A 12 12.103 14.260 15.164 1.00 11.13 N ATOM 93 CA VAL A 12 11.629 13.399 16.241 1.00 11.31 C ATOM 94 C VAL A 12 12.891 12.665 16.709 1.00 14.40 C ATOM 95 O VAL A 12 13.366 11.717 16.061 1.00 12.16 O ATOM 96 CB VAL A 12 10.495 12.443 15.770 1.00 15.27 C ATOM 97 CG1 VAL A 12 10.100 11.469 16.875 1.00 15.55 C ATOM 98 CG2 VAL A 12 9.288 13.251 15.312 1.00 14.60 C ATOM 99 H VAL A 12 12.092 13.898 14.189 1.00 0.00 H ATOM 100 N LEU A 13 13.478 13.182 17.787 1.00 11.47 N ATOM 101 CA LEU A 13 14.759 12.701 18.298 1.00 11.77 C ATOM 102 C LEU A 13 14.561 12.069 19.641 1.00 16.21 C ATOM 103 O LEU A 13 14.201 12.748 20.605 1.00 17.32 O ATOM 104 CB LEU A 13 15.763 13.885 18.384 1.00 12.05 C ATOM 105 CG LEU A 13 17.189 13.616 18.889 1.00 16.09 C ATOM 106 CD1 LEU A 13 17.897 12.540 18.032 1.00 16.31 C ATOM 107 CD2 LEU A 13 18.002 14.914 18.850 1.00 15.17 C ATOM 108 H LEU A 13 13.004 13.962 18.286 1.00 0.00 H ATOM 109 N GLN A 14 14.865 10.771 19.716 1.00 12.93 N ATOM 110 CA GLN A 14 14.777 9.981 20.922 1.00 12.55 C ATOM 111 C GLN A 14 16.219 9.671 21.397 1.00 19.81 C ATOM 112 O GLN A 14 17.158 9.984 20.651 1.00 19.67 O ATOM 113 CB GLN A 14 13.929 8.713 20.660 1.00 13.84 C ATOM 114 CG GLN A 14 12.508 9.095 20.216 1.00 18.04 C ATOM 115 CD GLN A 14 11.567 7.937 20.022 1.00 20.18 C ATOM 116 OE1 GLN A 14 11.966 6.811 19.756 1.00 19.25 O ATOM 117 NE2 GLN A 14 10.287 8.197 20.182 1.00 21.52 N ATOM 118 HE22 GLN A 14 9.977 9.164 20.408 1.00 0.00 H ATOM 119 HE21 GLN A 14 9.585 7.436 20.083 1.00 0.00 H ATOM 120 H GLN A 14 15.187 10.297 18.848 1.00 0.00 H ATOM 121 N PRO A 15 16.445 9.102 22.605 1.00 20.25 N ATOM 122 CA PRO A 15 17.831 8.933 23.079 1.00 20.64 C ATOM 123 C PRO A 15 18.774 8.165 22.158 1.00 26.52 C ATOM 124 O PRO A 15 19.929 8.580 22.042 1.00 26.73 O ATOM 125 CB PRO A 15 17.668 8.237 24.432 1.00 22.87 C ATOM 126 CG PRO A 15 16.333 8.677 24.912 1.00 27.67 C ATOM 127 CD PRO A 15 15.480 8.722 23.665 1.00 23.21 C ATOM 128 N GLN A 16 18.288 7.097 21.479 1.00 22.33 N ATOM 129 CA GLN A 16 19.135 6.286 20.599 1.00 22.24 C ATOM 130 C GLN A 16 18.771 6.342 19.107 1.00 21.68 C ATOM 131 O GLN A 16 19.438 5.697 18.298 1.00 20.43 O ATOM 132 CB GLN A 16 19.163 4.823 21.080 1.00 24.60 C ATOM 133 H GLN A 16 17.285 6.845 21.586 1.00 0.00 H ATOM 134 N ARG A 17 17.757 7.134 18.723 1.00 13.90 N ATOM 135 CA ARG A 17 17.358 7.149 17.322 1.00 10.99 C ATOM 136 C ARG A 17 16.637 8.419 16.931 1.00 13.55 C ATOM 137 O ARG A 17 16.096 9.126 17.789 1.00 10.85 O ATOM 138 CB ARG A 17 16.451 5.940 17.012 1.00 12.21 C ATOM 139 CG ARG A 17 15.178 5.929 17.828 1.00 13.25 C ATOM 140 CD ARG A 17 14.420 4.678 17.543 1.00 22.20 C ATOM 141 NE ARG A 17 13.073 4.763 18.075 1.00 21.21 N ATOM 142 CZ ARG A 17 12.132 3.868 17.829 1.00 28.87 C ATOM 143 NH1 ARG A 17 12.401 2.816 17.064 1.00 21.60 N ATOM 144 NH2 ARG A 17 10.922 4.008 18.342 1.00 20.06 N ATOM 145 HE ARG A 17 12.835 5.572 18.683 1.00 0.00 H ATOM 146 HH12 ARG A 17 11.661 2.111 16.870 1.00 0.00 H ATOM 147 HH11 ARG A 17 13.351 2.697 16.659 1.00 0.00 H ATOM 148 HH22 ARG A 17 10.188 3.299 18.143 1.00 0.00 H ATOM 149 HH21 ARG A 17 10.704 4.827 18.944 1.00 0.00 H ATOM 150 H ARG A 17 17.262 7.730 19.417 1.00 0.00 H ATOM 151 N VAL A 18 16.583 8.658 15.619 1.00 9.87 N ATOM 152 CA VAL A 18 15.886 9.802 15.030 1.00 8.86 C ATOM 153 C VAL A 18 15.016 9.308 13.864 1.00 11.02 C ATOM 154 O VAL A 18 15.421 8.427 13.103 1.00 10.45 O ATOM 155 CB VAL A 18 16.899 10.898 14.581 1.00 11.28 C ATOM 156 CG1 VAL A 18 17.848 10.378 13.497 1.00 10.75 C ATOM 157 CG2 VAL A 18 16.189 12.182 14.112 1.00 10.53 C ATOM 158 H VAL A 18 17.063 7.994 14.979 1.00 0.00 H ATOM 159 N LEU A 19 13.822 9.867 13.747 1.00 8.15 N ATOM 160 CA LEU A 19 12.915 9.529 12.654 1.00 7.18 C ATOM 161 C LEU A 19 13.148 10.502 11.493 1.00 11.30 C ATOM 162 O LEU A 19 13.117 11.711 11.702 1.00 11.07 O ATOM 163 CB LEU A 19 11.453 9.645 13.118 1.00 6.72 C ATOM 164 CG LEU A 19 10.371 9.234 12.067 1.00 9.67 C ATOM 165 CD1 LEU A 19 10.365 7.720 11.833 1.00 8.62 C ATOM 166 CD2 LEU A 19 8.987 9.586 12.573 1.00 11.50 C ATOM 167 H LEU A 19 13.521 10.568 14.454 1.00 0.00 H ATOM 168 N LEU A 20 13.339 9.975 10.277 1.00 7.86 N ATOM 169 CA LEU A 20 13.471 10.775 9.055 1.00 7.27 C ATOM 170 C LEU A 20 12.473 10.239 8.055 1.00 12.24 C ATOM 171 O LEU A 20 12.088 9.080 8.145 1.00 13.66 O ATOM 172 CB LEU A 20 14.905 10.718 8.475 1.00 6.44 C ATOM 173 CG LEU A 20 15.964 11.306 9.430 1.00 10.07 C ATOM 174 CD1 LEU A 20 17.390 10.983 8.966 1.00 10.73 C ATOM 175 CD2 LEU A 20 15.766 12.819 9.601 1.00 10.80 C ATOM 176 H LEU A 20 13.397 8.940 10.194 1.00 0.00 H ATOM 177 N GLY A 21 12.090 11.074 7.099 1.00 7.73 N ATOM 178 CA GLY A 21 11.159 10.682 6.062 1.00 9.30 C ATOM 179 C GLY A 21 11.739 10.898 4.685 1.00 13.68 C ATOM 180 O GLY A 21 12.267 11.980 4.380 1.00 11.78 O ATOM 181 H GLY A 21 12.471 12.042 7.094 1.00 0.00 H ATOM 182 N MET A 22 11.697 9.844 3.879 1.00 11.14 N ATOM 183 CA MET A 22 12.169 9.897 2.493 1.00 11.17 C ATOM 184 C MET A 22 11.005 10.477 1.675 1.00 13.41 C ATOM 185 O MET A 22 9.919 9.892 1.614 1.00 10.13 O ATOM 186 CB MET A 22 12.598 8.485 2.022 1.00 14.13 C ATOM 187 CG MET A 22 12.723 8.323 0.503 1.00 17.57 C ATOM 188 SD MET A 22 13.979 9.440 -0.178 1.00 18.94 S ATOM 189 CE MET A 22 15.484 8.857 0.630 1.00 15.60 C ATOM 190 H MET A 22 11.315 8.948 4.245 1.00 0.00 H ATOM 191 N LYS A 23 11.253 11.636 1.053 1.00 13.13 N ATOM 192 CA LYS A 23 10.300 12.358 0.234 1.00 14.14 C ATOM 193 C LYS A 23 10.224 11.710 -1.145 1.00 18.52 C ATOM 194 O LYS A 23 11.249 11.395 -1.751 1.00 18.80 O ATOM 195 CB LYS A 23 10.761 13.821 0.125 1.00 15.35 C ATOM 196 CG LYS A 23 9.701 14.728 -0.455 1.00 29.34 C ATOM 197 CD LYS A 23 9.457 15.833 0.514 1.00 36.44 C ATOM 198 CE LYS A 23 8.291 16.675 0.107 1.00 40.50 C ATOM 199 NZ LYS A 23 8.554 18.097 0.420 1.00 46.66 N ATOM 200 HZ1 LYS A 23 8.710 18.202 1.443 1.00 0.00 H ATOM 201 HZ2 LYS A 23 9.400 18.414 -0.096 1.00 0.00 H ATOM 202 HZ3 LYS A 23 7.736 18.671 0.132 1.00 0.00 H ATOM 203 H LYS A 23 12.201 12.049 1.166 1.00 0.00 H ATOM 204 N LYS A 24 8.993 11.530 -1.638 1.00 16.79 N ATOM 205 CA LYS A 24 8.737 10.890 -2.927 1.00 17.42 C ATOM 206 C LYS A 24 8.676 11.859 -4.127 1.00 23.38 C ATOM 207 O LYS A 24 8.997 11.444 -5.243 1.00 26.54 O ATOM 208 CB LYS A 24 7.476 10.031 -2.825 1.00 19.17 C ATOM 209 CG LYS A 24 7.701 8.930 -1.775 1.00 32.24 C ATOM 210 CD LYS A 24 6.706 7.805 -1.843 1.00 37.22 C ATOM 211 CE LYS A 24 6.702 6.934 -0.603 1.00 26.47 C ATOM 212 NZ LYS A 24 5.570 5.979 -0.682 1.00 55.76 N ATOM 213 HZ1 LYS A 24 4.676 6.507 -0.741 1.00 0.00 H ATOM 214 HZ2 LYS A 24 5.679 5.383 -1.528 1.00 0.00 H ATOM 215 HZ3 LYS A 24 5.564 5.379 0.168 1.00 0.00 H ATOM 216 H LYS A 24 8.181 11.861 -1.078 1.00 0.00 H ATOM 217 N ARG A 25 8.294 13.125 -3.893 1.00 18.76 N ATOM 218 CA ARG A 25 8.177 14.161 -4.929 1.00 19.22 C ATOM 219 C ARG A 25 8.277 15.577 -4.352 1.00 22.78 C ATOM 220 O ARG A 25 8.171 15.762 -3.136 1.00 21.60 O ATOM 221 CB ARG A 25 6.840 14.013 -5.676 1.00 19.69 C ATOM 222 H ARG A 25 8.066 13.390 -2.914 1.00 0.00 H ATOM 223 N GLY A 26 8.440 16.570 -5.227 1.00 19.34 N ATOM 224 CA GLY A 26 8.506 17.960 -4.781 1.00 19.62 C ATOM 225 C GLY A 26 9.837 18.314 -4.144 1.00 22.13 C ATOM 226 O GLY A 26 10.837 17.626 -4.378 1.00 19.75 O ATOM 227 H GLY A 26 8.521 16.352 -6.241 1.00 0.00 H ATOM 228 N PHE A 27 9.857 19.404 -3.346 1.00 19.77 N ATOM 229 CA PHE A 27 11.067 19.933 -2.701 1.00 17.47 C ATOM 230 C PHE A 27 11.684 18.903 -1.759 1.00 18.59 C ATOM 231 O PHE A 27 11.026 18.456 -0.832 1.00 18.81 O ATOM 232 CB PHE A 27 10.763 21.243 -1.941 1.00 18.40 C ATOM 233 CG PHE A 27 12.004 21.909 -1.372 1.00 18.92 C ATOM 234 CD1 PHE A 27 12.843 22.660 -2.186 1.00 21.91 C ATOM 235 CD2 PHE A 27 12.356 21.736 -0.037 1.00 20.48 C ATOM 236 CE1 PHE A 27 14.003 23.244 -1.675 1.00 22.08 C ATOM 237 CE2 PHE A 27 13.522 22.315 0.476 1.00 22.93 C ATOM 238 CZ PHE A 27 14.326 23.085 -0.344 1.00 21.17 C ATOM 239 H PHE A 27 8.959 19.900 -3.177 1.00 0.00 H ATOM 240 N GLY A 28 12.932 18.539 -2.017 1.00 15.53 N ATOM 241 CA GLY A 28 13.644 17.562 -1.202 1.00 14.22 C ATOM 242 C GLY A 28 13.401 16.115 -1.585 1.00 16.70 C ATOM 243 O GLY A 28 13.816 15.218 -0.848 1.00 15.35 O ATOM 244 H GLY A 28 13.421 18.966 -2.830 1.00 0.00 H ATOM 245 N ALA A 29 12.759 15.860 -2.755 1.00 15.17 N ATOM 246 CA ALA A 29 12.495 14.489 -3.241 1.00 15.34 C ATOM 247 C ALA A 29 13.775 13.688 -3.339 1.00 17.65 C ATOM 248 O ALA A 29 14.815 14.217 -3.740 1.00 15.74 O ATOM 249 CB ALA A 29 11.817 14.525 -4.615 1.00 16.61 C ATOM 250 H ALA A 29 12.440 16.663 -3.333 1.00 0.00 H ATOM 251 N GLY A 30 13.695 12.426 -2.953 1.00 13.05 N ATOM 252 CA GLY A 30 14.838 11.519 -2.990 1.00 13.38 C ATOM 253 C GLY A 30 15.805 11.701 -1.835 1.00 14.97 C ATOM 254 O GLY A 30 16.849 11.045 -1.813 1.00 14.40 O ATOM 255 H GLY A 30 12.782 12.065 -2.610 1.00 0.00 H ATOM 256 N ARG A 31 15.463 12.566 -0.847 1.00 10.10 N ATOM 257 CA ARG A 31 16.336 12.764 0.300 1.00 10.48 C ATOM 258 C ARG A 31 15.594 12.463 1.581 1.00 13.13 C ATOM 259 O ARG A 31 14.378 12.650 1.622 1.00 13.19 O ATOM 260 CB ARG A 31 16.827 14.224 0.337 1.00 9.46 C ATOM 261 CG ARG A 31 17.946 14.430 -0.675 1.00 20.60 C ATOM 262 CD ARG A 31 18.497 15.826 -0.694 1.00 24.40 C ATOM 263 NE ARG A 31 19.864 15.794 -1.230 1.00 28.03 N ATOM 264 CZ ARG A 31 20.483 16.830 -1.783 1.00 31.36 C ATOM 265 NH1 ARG A 31 19.866 17.992 -1.899 1.00 18.08 N ATOM 266 NH2 ARG A 31 21.724 16.705 -2.235 1.00 25.08 N ATOM 267 HE ARG A 31 20.384 14.895 -1.172 1.00 0.00 H ATOM 268 HH12 ARG A 31 20.356 18.800 -2.333 1.00 0.00 H ATOM 269 HH11 ARG A 31 18.890 18.099 -1.556 1.00 0.00 H ATOM 270 HH22 ARG A 31 22.204 17.520 -2.667 1.00 0.00 H ATOM 271 HH21 ARG A 31 22.216 15.792 -2.157 1.00 0.00 H ATOM 272 H ARG A 31 14.568 13.092 -0.910 1.00 0.00 H ATOM 273 N TRP A 32 16.325 12.000 2.625 1.00 9.15 N ATOM 274 CA TRP A 32 15.743 11.815 3.967 1.00 8.24 C ATOM 275 C TRP A 32 15.736 13.186 4.595 1.00 13.33 C ATOM 276 O TRP A 32 16.752 13.895 4.565 1.00 15.11 O ATOM 277 CB TRP A 32 16.595 10.901 4.865 1.00 7.37 C ATOM 278 CG TRP A 32 16.659 9.512 4.353 1.00 9.30 C ATOM 279 CD1 TRP A 32 17.647 8.968 3.588 1.00 12.81 C ATOM 280 CD2 TRP A 32 15.661 8.491 4.510 1.00 8.85 C ATOM 281 NE1 TRP A 32 17.370 7.648 3.325 1.00 12.63 N ATOM 282 CE2 TRP A 32 16.134 7.341 3.838 1.00 13.21 C ATOM 283 CE3 TRP A 32 14.445 8.418 5.213 1.00 9.81 C ATOM 284 CZ2 TRP A 32 15.436 6.132 3.844 1.00 13.47 C ATOM 285 CZ3 TRP A 32 13.731 7.229 5.180 1.00 11.46 C ATOM 286 CH2 TRP A 32 14.206 6.120 4.463 1.00 13.03 C ATOM 287 HE1 TRP A 32 17.995 6.988 2.819 1.00 0.00 H ATOM 288 H TRP A 32 17.328 11.768 2.474 1.00 0.00 H ATOM 289 N ASN A 33 14.597 13.562 5.152 1.00 12.42 N ATOM 290 CA ASN A 33 14.381 14.890 5.730 1.00 13.68 C ATOM 291 C ASN A 33 13.604 14.744 7.054 1.00 14.13 C ATOM 292 O ASN A 33 12.925 13.728 7.261 1.00 13.19 O ATOM 293 CB ASN A 33 13.417 15.691 4.781 1.00 20.21 C ATOM 294 CG ASN A 33 13.748 15.973 3.302 1.00 42.53 C ATOM 295 OD1 ASN A 33 14.128 17.087 2.944 1.00 41.16 O ATOM 296 ND2 ASN A 33 13.298 15.124 2.386 1.00 19.73 N ATOM 297 HD22 ASN A 33 12.972 14.178 2.669 1.00 0.00 H ATOM 298 HD21 ASN A 33 13.271 15.405 1.385 1.00 0.00 H ATOM 299 H ASN A 33 13.814 12.879 5.181 1.00 0.00 H ATOM 300 N GLY A 34 13.610 15.810 7.854 1.00 9.95 N ATOM 301 CA GLY A 34 12.706 15.971 8.986 1.00 10.43 C ATOM 302 C GLY A 34 11.336 16.309 8.389 1.00 12.24 C ATOM 303 O GLY A 34 11.151 16.291 7.160 1.00 12.55 O ATOM 304 H GLY A 34 14.296 16.567 7.660 1.00 0.00 H ATOM 305 N PHE A 35 10.349 16.601 9.233 1.00 8.70 N ATOM 306 CA PHE A 35 8.985 16.835 8.761 1.00 8.65 C ATOM 307 C PHE A 35 8.649 18.303 8.864 1.00 12.61 C ATOM 308 O PHE A 35 8.904 18.915 9.892 1.00 10.98 O ATOM 309 CB PHE A 35 7.997 15.948 9.550 1.00 10.30 C ATOM 310 CG PHE A 35 8.343 14.472 9.461 1.00 11.20 C ATOM 311 CD1 PHE A 35 8.058 13.743 8.313 1.00 13.50 C ATOM 312 CD2 PHE A 35 9.045 13.841 10.488 1.00 12.32 C ATOM 313 CE1 PHE A 35 8.429 12.391 8.212 1.00 14.15 C ATOM 314 CE2 PHE A 35 9.423 12.495 10.380 1.00 14.92 C ATOM 315 CZ PHE A 35 9.080 11.770 9.255 1.00 13.01 C ATOM 316 H PHE A 35 10.553 16.664 10.251 1.00 0.00 H ATOM 317 N GLY A 36 8.142 18.880 7.788 1.00 11.73 N ATOM 318 CA GLY A 36 7.847 20.302 7.831 1.00 11.35 C ATOM 319 C GLY A 36 7.322 20.875 6.544 1.00 14.67 C ATOM 320 O GLY A 36 6.996 20.137 5.607 1.00 12.66 O ATOM 321 H GLY A 36 7.958 18.326 6.927 1.00 0.00 H ATOM 322 N GLY A 37 7.207 22.194 6.532 1.00 10.28 N ATOM 323 CA GLY A 37 6.672 22.911 5.390 1.00 11.34 C ATOM 324 C GLY A 37 6.315 24.338 5.717 1.00 14.45 C ATOM 325 O GLY A 37 6.731 24.879 6.749 1.00 10.91 O ATOM 326 H GLY A 37 7.510 22.733 7.368 1.00 0.00 H ATOM 327 N LYS A 38 5.517 24.943 4.826 1.00 12.39 N ATOM 328 CA LYS A 38 5.135 26.336 4.933 1.00 12.03 C ATOM 329 C LYS A 38 4.195 26.592 6.114 1.00 14.74 C ATOM 330 O LYS A 38 3.434 25.719 6.499 1.00 13.72 O ATOM 331 CB LYS A 38 4.487 26.803 3.620 1.00 13.97 C ATOM 332 CG LYS A 38 5.451 26.831 2.441 1.00 22.55 C ATOM 333 CD LYS A 38 4.708 27.051 1.135 1.00 33.82 C ATOM 334 CE LYS A 38 5.616 26.974 -0.070 1.00 41.08 C ATOM 335 NZ LYS A 38 4.865 27.253 -1.323 1.00 53.34 N ATOM 336 HZ1 LYS A 38 4.104 26.553 -1.433 1.00 0.00 H ATOM 337 HZ2 LYS A 38 4.455 28.207 -1.275 1.00 0.00 H ATOM 338 HZ3 LYS A 38 5.513 27.193 -2.134 1.00 0.00 H ATOM 339 H LYS A 38 5.157 24.388 4.023 1.00 0.00 H ATOM 340 N VAL A 39 4.323 27.762 6.734 1.00 12.86 N ATOM 341 CA VAL A 39 3.436 28.149 7.842 1.00 12.17 C ATOM 342 C VAL A 39 2.256 28.876 7.181 1.00 18.30 C ATOM 343 O VAL A 39 2.465 29.657 6.247 1.00 18.60 O ATOM 344 CB VAL A 39 4.157 29.030 8.901 1.00 14.29 C ATOM 345 CG1 VAL A 39 3.193 29.445 10.018 1.00 14.09 C ATOM 346 CG2 VAL A 39 5.380 28.314 9.494 1.00 12.07 C ATOM 347 H VAL A 39 5.069 28.419 6.428 1.00 0.00 H ATOM 348 N GLN A 40 1.022 28.607 7.647 1.00 15.15 N ATOM 349 CA GLN A 40 -0.161 29.212 7.059 1.00 16.53 C ATOM 350 C GLN A 40 -0.513 30.574 7.647 1.00 15.94 C ATOM 351 O GLN A 40 -0.006 30.967 8.701 1.00 13.86 O ATOM 352 CB GLN A 40 -1.359 28.248 7.142 1.00 19.55 C ATOM 353 CG GLN A 40 -1.104 26.913 6.410 1.00 28.31 C ATOM 354 CD GLN A 40 -2.190 25.866 6.611 1.00 41.57 C ATOM 355 OE1 GLN A 40 -3.162 26.035 7.373 1.00 31.50 O ATOM 356 NE2 GLN A 40 -2.014 24.725 5.957 1.00 38.77 N ATOM 357 HE22 GLN A 40 -1.195 24.608 5.327 1.00 0.00 H ATOM 358 HE21 GLN A 40 -2.695 23.948 6.075 1.00 0.00 H ATOM 359 H GLN A 40 0.913 27.951 8.446 1.00 0.00 H ATOM 360 N GLU A 41 -1.354 31.316 6.934 1.00 13.68 N ATOM 361 CA GLU A 41 -1.883 32.603 7.387 1.00 13.75 C ATOM 362 C GLU A 41 -2.633 32.398 8.716 1.00 18.94 C ATOM 363 O GLU A 41 -3.373 31.409 8.861 1.00 17.67 O ATOM 364 CB GLU A 41 -2.815 33.184 6.296 1.00 15.93 C ATOM 365 CG GLU A 41 -2.046 33.531 5.024 1.00 20.44 C ATOM 366 CD GLU A 41 -2.847 33.996 3.817 1.00 47.20 C ATOM 367 OE1 GLU A 41 -4.097 33.917 3.852 1.00 44.39 O ATOM 368 OE2 GLU A 41 -2.216 34.430 2.824 1.00 30.87 O ATOM 369 H GLU A 41 -1.653 30.962 6.003 1.00 0.00 H ATOM 370 N GLY A 42 -2.388 33.279 9.693 1.00 16.76 N ATOM 371 CA GLY A 42 -3.034 33.194 11.005 1.00 17.52 C ATOM 372 C GLY A 42 -2.615 32.001 11.864 1.00 20.41 C ATOM 373 O GLY A 42 -3.267 31.700 12.859 1.00 20.30 O ATOM 374 H GLY A 42 -1.715 34.052 9.514 1.00 0.00 H ATOM 375 N GLU A 43 -1.535 31.321 11.501 1.00 16.93 N ATOM 376 CA GLU A 43 -1.060 30.163 12.241 1.00 16.90 C ATOM 377 C GLU A 43 0.291 30.515 12.865 1.00 17.23 C ATOM 378 O GLU A 43 1.108 31.122 12.196 1.00 17.00 O ATOM 379 CB GLU A 43 -0.897 29.002 11.240 1.00 18.56 C ATOM 380 CG GLU A 43 -0.365 27.723 11.840 1.00 20.42 C ATOM 381 CD GLU A 43 -0.190 26.629 10.810 1.00 16.19 C ATOM 382 OE1 GLU A 43 0.606 26.814 9.862 1.00 14.75 O ATOM 383 OE2 GLU A 43 -0.780 25.545 11.015 1.00 18.78 O ATOM 384 H GLU A 43 -1.010 31.627 10.657 1.00 0.00 H ATOM 385 N THR A 44 0.534 30.126 14.129 1.00 14.79 N ATOM 386 CA THR A 44 1.837 30.395 14.759 1.00 13.43 C ATOM 387 C THR A 44 2.834 29.393 14.163 1.00 15.78 C ATOM 388 O THR A 44 2.437 28.331 13.682 1.00 15.46 O ATOM 389 CB THR A 44 1.773 30.235 16.299 1.00 17.57 C ATOM 390 OG1 THR A 44 1.625 28.850 16.619 1.00 18.77 O ATOM 391 CG2 THR A 44 0.653 31.074 16.962 1.00 18.67 C ATOM 392 HG1 THR A 44 1.584 28.742 17.602 1.00 0.00 H ATOM 393 H THR A 44 -0.206 29.630 14.667 1.00 0.00 H ATOM 394 N ILE A 45 4.120 29.707 14.241 1.00 13.12 N ATOM 395 CA ILE A 45 5.189 28.841 13.737 1.00 12.02 C ATOM 396 C ILE A 45 5.112 27.453 14.423 1.00 14.34 C ATOM 397 O ILE A 45 5.122 26.432 13.733 1.00 11.82 O ATOM 398 CB ILE A 45 6.572 29.535 13.879 1.00 15.30 C ATOM 399 CG1 ILE A 45 6.638 30.801 12.972 1.00 16.75 C ATOM 400 CG2 ILE A 45 7.712 28.562 13.503 1.00 14.76 C ATOM 401 CD1 ILE A 45 7.800 31.764 13.271 1.00 23.97 C ATOM 402 H ILE A 45 4.383 30.612 14.681 1.00 0.00 H ATOM 403 N GLU A 46 4.943 27.436 15.768 1.00 12.85 N ATOM 404 CA GLU A 46 4.805 26.192 16.517 1.00 12.97 C ATOM 405 C GLU A 46 3.593 25.363 16.076 1.00 14.93 C ATOM 406 O GLU A 46 3.725 24.149 15.900 1.00 12.30 O ATOM 407 CB GLU A 46 4.782 26.461 18.030 1.00 15.20 C ATOM 408 CG GLU A 46 4.965 25.190 18.843 1.00 26.80 C ATOM 409 CD GLU A 46 4.887 25.376 20.344 1.00 44.76 C ATOM 410 OE1 GLU A 46 5.704 26.150 20.892 1.00 41.86 O ATOM 411 OE2 GLU A 46 4.038 24.711 20.979 1.00 40.81 O ATOM 412 H GLU A 46 4.911 28.339 16.282 1.00 0.00 H ATOM 413 N ASP A 47 2.423 26.005 15.860 1.00 14.79 N ATOM 414 CA ASP A 47 1.248 25.254 15.393 1.00 15.39 C ATOM 415 C ASP A 47 1.482 24.676 14.004 1.00 15.41 C ATOM 416 O ASP A 47 1.073 23.542 13.742 1.00 13.63 O ATOM 417 CB ASP A 47 -0.021 26.100 15.444 1.00 17.86 C ATOM 418 CG ASP A 47 -0.500 26.404 16.851 1.00 26.23 C ATOM 419 OD1 ASP A 47 -0.067 25.701 17.797 1.00 25.84 O ATOM 420 OD2 ASP A 47 -1.331 27.301 17.001 1.00 25.84 O ATOM 421 H ASP A 47 2.354 27.030 16.024 1.00 0.00 H ATOM 422 N GLY A 48 2.201 25.426 13.169 1.00 12.50 N ATOM 423 CA GLY A 48 2.555 24.993 11.820 1.00 11.65 C ATOM 424 C GLY A 48 3.433 23.762 11.876 1.00 13.67 C ATOM 425 O GLY A 48 3.220 22.812 11.123 1.00 13.26 O ATOM 426 H GLY A 48 2.524 26.360 13.492 1.00 0.00 H ATOM 427 N ALA A 49 4.401 23.759 12.811 1.00 12.29 N ATOM 428 CA ALA A 49 5.327 22.636 13.026 1.00 12.10 C ATOM 429 C ALA A 49 4.570 21.390 13.467 1.00 14.34 C ATOM 430 O ALA A 49 4.835 20.308 12.956 1.00 14.25 O ATOM 431 CB ALA A 49 6.391 23.007 14.063 1.00 12.78 C ATOM 432 H ALA A 49 4.500 24.599 13.416 1.00 0.00 H ATOM 433 N ARG A 50 3.599 21.545 14.402 1.00 10.83 N ATOM 434 CA ARG A 50 2.794 20.431 14.918 1.00 9.90 C ATOM 435 C ARG A 50 1.933 19.878 13.780 1.00 12.87 C ATOM 436 O ARG A 50 1.867 18.656 13.597 1.00 11.31 O ATOM 437 CB ARG A 50 1.938 20.932 16.113 1.00 14.36 C ATOM 438 CG ARG A 50 1.079 19.865 16.779 1.00 28.39 C ATOM 439 CD ARG A 50 0.456 20.340 18.089 1.00 38.57 C ATOM 440 NE ARG A 50 1.432 20.422 19.183 1.00 43.37 N ATOM 441 CZ ARG A 50 1.959 21.556 19.635 1.00 48.52 C ATOM 442 NH1 ARG A 50 1.603 22.717 19.100 1.00 32.92 N ATOM 443 NH2 ARG A 50 2.834 21.539 20.634 1.00 33.84 N ATOM 444 HE ARG A 50 1.731 19.534 19.634 1.00 0.00 H ATOM 445 HH12 ARG A 50 2.017 23.602 19.456 1.00 0.00 H ATOM 446 HH11 ARG A 50 0.910 22.742 18.325 1.00 0.00 H ATOM 447 HH22 ARG A 50 3.242 22.430 20.983 1.00 0.00 H ATOM 448 HH21 ARG A 50 3.111 20.635 21.068 1.00 0.00 H ATOM 449 H ARG A 50 3.416 22.500 14.771 1.00 0.00 H ATOM 450 N ARG A 51 1.302 20.788 12.995 1.00 9.38 N ATOM 451 CA ARG A 51 0.445 20.398 11.866 1.00 10.72 C ATOM 452 C ARG A 51 1.240 19.605 10.828 1.00 15.22 C ATOM 453 O ARG A 51 0.795 18.514 10.443 1.00 15.65 O ATOM 454 CB ARG A 51 -0.222 21.622 11.236 1.00 12.75 C ATOM 455 CG ARG A 51 -1.056 21.298 9.994 1.00 15.85 C ATOM 456 CD ARG A 51 -1.580 22.554 9.310 1.00 18.91 C ATOM 457 NE ARG A 51 -0.530 23.552 9.098 1.00 14.15 N ATOM 458 CZ ARG A 51 0.357 23.551 8.113 1.00 24.47 C ATOM 459 NH1 ARG A 51 0.359 22.562 7.220 1.00 17.65 N ATOM 460 NH2 ARG A 51 1.272 24.505 8.027 1.00 14.36 N ATOM 461 HE ARG A 51 -0.475 24.333 9.783 1.00 0.00 H ATOM 462 HH12 ARG A 51 1.055 22.561 6.447 1.00 0.00 H ATOM 463 HH11 ARG A 51 -0.335 21.791 7.296 1.00 0.00 H ATOM 464 HH22 ARG A 51 1.963 24.494 7.250 1.00 0.00 H ATOM 465 HH21 ARG A 51 1.299 25.265 8.737 1.00 0.00 H ATOM 466 H ARG A 51 1.430 21.800 13.200 1.00 0.00 H ATOM 467 N GLU A 52 2.412 20.143 10.387 1.00 11.96 N ATOM 468 CA GLU A 52 3.268 19.460 9.402 1.00 12.71 C ATOM 469 C GLU A 52 3.729 18.092 9.860 1.00 14.98 C ATOM 470 O GLU A 52 3.767 17.170 9.056 1.00 15.33 O ATOM 471 CB GLU A 52 4.477 20.304 8.993 1.00 14.36 C ATOM 472 CG GLU A 52 4.134 21.434 8.021 1.00 18.59 C ATOM 473 CD GLU A 52 3.593 21.131 6.629 1.00 28.57 C ATOM 474 OE1 GLU A 52 3.543 19.951 6.211 1.00 29.68 O ATOM 475 OE2 GLU A 52 3.219 22.107 5.944 1.00 30.52 O ATOM 476 H GLU A 52 2.712 21.067 10.758 1.00 0.00 H ATOM 477 N LEU A 53 4.155 17.973 11.140 1.00 10.94 N ATOM 478 CA LEU A 53 4.561 16.678 11.659 1.00 10.52 C ATOM 479 C LEU A 53 3.413 15.645 11.469 1.00 14.66 C ATOM 480 O LEU A 53 3.671 14.578 10.951 1.00 15.58 O ATOM 481 CB LEU A 53 5.021 16.752 13.123 1.00 10.49 C ATOM 482 CG LEU A 53 5.471 15.371 13.672 1.00 15.79 C ATOM 483 CD1 LEU A 53 6.796 14.893 13.034 1.00 14.75 C ATOM 484 CD2 LEU A 53 5.600 15.380 15.147 1.00 18.38 C ATOM 485 H LEU A 53 4.192 18.812 11.754 1.00 0.00 H ATOM 486 N GLN A 54 2.162 15.984 11.822 1.00 13.34 N ATOM 487 CA GLN A 54 1.020 15.075 11.644 1.00 14.39 C ATOM 488 C GLN A 54 0.735 14.766 10.172 1.00 18.09 C ATOM 489 O GLN A 54 0.632 13.602 9.802 1.00 19.15 O ATOM 490 CB GLN A 54 -0.238 15.599 12.348 1.00 17.31 C ATOM 491 CG GLN A 54 -1.328 14.509 12.503 1.00 40.09 C ATOM 492 CD GLN A 54 -2.122 14.223 11.253 1.00 67.99 C ATOM 493 OE1 GLN A 54 -2.842 15.079 10.729 1.00 67.07 O ATOM 494 NE2 GLN A 54 -1.968 13.018 10.722 1.00 60.25 N ATOM 495 HE22 GLN A 54 -1.355 12.319 11.188 1.00 0.00 H ATOM 496 HE21 GLN A 54 -2.461 12.772 9.840 1.00 0.00 H ATOM 497 H GLN A 54 1.995 16.923 12.236 1.00 0.00 H ATOM 498 N GLU A 55 0.617 15.790 9.335 1.00 17.40 N ATOM 499 CA GLU A 55 0.343 15.621 7.903 1.00 16.78 C ATOM 500 C GLU A 55 1.344 14.720 7.212 1.00 19.74 C ATOM 501 O GLU A 55 0.968 13.896 6.378 1.00 20.52 O ATOM 502 CB GLU A 55 0.384 16.979 7.212 1.00 17.95 C ATOM 503 CG GLU A 55 -0.803 17.866 7.486 1.00 28.25 C ATOM 504 CD GLU A 55 -0.773 19.122 6.636 1.00 44.07 C ATOM 505 OE1 GLU A 55 -0.062 19.135 5.604 1.00 36.00 O ATOM 506 OE2 GLU A 55 -1.484 20.086 6.991 1.00 27.89 O ATOM 507 H GLU A 55 0.723 16.754 9.711 1.00 0.00 H ATOM 508 N GLU A 56 2.634 14.896 7.528 1.00 13.26 N ATOM 509 CA GLU A 56 3.700 14.189 6.850 1.00 12.01 C ATOM 510 C GLU A 56 4.125 12.839 7.454 1.00 18.83 C ATOM 511 O GLU A 56 4.596 11.967 6.708 1.00 18.43 O ATOM 512 CB GLU A 56 4.921 15.085 6.709 1.00 11.98 C ATOM 513 CG GLU A 56 4.721 16.291 5.805 1.00 18.03 C ATOM 514 CD GLU A 56 6.015 16.963 5.389 1.00 36.28 C ATOM 515 OE1 GLU A 56 7.029 16.818 6.113 1.00 16.65 O ATOM 516 OE2 GLU A 56 6.024 17.611 4.317 1.00 33.92 O ATOM 517 H GLU A 56 2.878 15.564 8.287 1.00 0.00 H ATOM 518 N SER A 57 4.018 12.689 8.781 1.00 16.27 N ATOM 519 CA SER A 57 4.451 11.465 9.459 1.00 16.15 C ATOM 520 C SER A 57 3.324 10.694 10.156 1.00 19.22 C ATOM 521 O SER A 57 3.555 9.563 10.558 1.00 18.91 O ATOM 522 CB SER A 57 5.541 11.791 10.478 1.00 16.72 C ATOM 523 OG SER A 57 4.958 12.316 11.662 1.00 13.17 O ATOM 524 HG SER A 57 4.458 13.142 11.444 1.00 0.00 H ATOM 525 H SER A 57 3.616 13.464 9.346 1.00 0.00 H ATOM 526 N GLY A 58 2.158 11.314 10.355 1.00 15.71 N ATOM 527 CA GLY A 58 1.053 10.669 11.069 1.00 15.33 C ATOM 528 C GLY A 58 1.192 10.724 12.580 1.00 18.01 C ATOM 529 O GLY A 58 0.312 10.247 13.301 1.00 18.06 O ATOM 530 H GLY A 58 2.031 12.281 9.993 1.00 0.00 H ATOM 531 N LEU A 59 2.295 11.312 13.090 1.00 13.68 N ATOM 532 CA LEU A 59 2.517 11.381 14.536 1.00 12.70 C ATOM 533 C LEU A 59 1.901 12.608 15.151 1.00 18.23 C ATOM 534 O LEU A 59 1.923 13.694 14.551 1.00 18.14 O ATOM 535 CB LEU A 59 4.011 11.402 14.874 1.00 12.16 C ATOM 536 CG LEU A 59 4.894 10.215 14.467 1.00 15.16 C ATOM 537 CD1 LEU A 59 6.359 10.484 14.883 1.00 15.69 C ATOM 538 CD2 LEU A 59 4.403 8.902 15.121 1.00 17.54 C ATOM 539 H LEU A 59 2.999 11.723 12.445 1.00 0.00 H ATOM 540 N THR A 60 1.467 12.459 16.401 1.00 14.63 N ATOM 541 CA THR A 60 0.952 13.557 17.212 1.00 14.42 C ATOM 542 C THR A 60 2.029 13.985 18.208 1.00 19.08 C ATOM 543 O THR A 60 2.460 13.183 19.039 1.00 17.48 O ATOM 544 CB THR A 60 -0.355 13.168 17.895 1.00 19.30 C ATOM 545 OG1 THR A 60 -1.308 12.851 16.881 1.00 19.11 O ATOM 546 CG2 THR A 60 -0.885 14.289 18.774 1.00 19.94 C ATOM 547 HG1 THR A 60 -2.166 12.595 17.304 1.00 0.00 H ATOM 548 H THR A 60 1.497 11.508 16.822 1.00 0.00 H ATOM 549 N VAL A 61 2.463 15.253 18.122 1.00 19.51 N ATOM 550 CA VAL A 61 3.482 15.788 19.028 1.00 20.10 C ATOM 551 C VAL A 61 2.825 16.471 20.231 1.00 27.75 C ATOM 552 O VAL A 61 1.840 17.195 20.098 1.00 25.43 O ATOM 553 CB VAL A 61 4.556 16.670 18.323 1.00 23.83 C ATOM 554 CG1 VAL A 61 3.955 17.865 17.595 1.00 23.38 C ATOM 555 CG2 VAL A 61 5.657 17.104 19.291 1.00 24.13 C ATOM 556 H VAL A 61 2.063 15.874 17.390 1.00 0.00 H ATOM 557 N ASP A 62 3.371 16.203 21.412 1.00 29.33 N ATOM 558 CA ASP A 62 2.865 16.785 22.641 1.00 31.08 C ATOM 559 C ASP A 62 3.709 18.023 22.977 1.00 37.10 C ATOM 560 O ASP A 62 3.249 19.157 22.814 1.00 39.36 O ATOM 561 CB ASP A 62 2.852 15.724 23.761 1.00 33.86 C ATOM 562 CG ASP A 62 2.147 14.407 23.412 1.00 48.53 C ATOM 563 OD1 ASP A 62 1.271 14.408 22.505 1.00 48.20 O ATOM 564 OD2 ASP A 62 2.460 13.383 24.048 1.00 58.23 O ATOM 565 H ASP A 62 4.185 15.557 21.457 1.00 0.00 H ATOM 566 N ALA A 63 4.962 17.811 23.367 1.00 31.29 N ATOM 567 CA ALA A 63 5.868 18.919 23.674 1.00 29.77 C ATOM 568 C ALA A 63 6.858 19.121 22.511 1.00 27.09 C ATOM 569 O ALA A 63 7.502 18.146 22.104 1.00 25.32 O ATOM 570 CB ALA A 63 6.625 18.617 24.966 1.00 30.79 C ATOM 571 H ALA A 63 5.307 16.834 23.456 1.00 0.00 H ATOM 572 N LEU A 64 6.935 20.355 21.962 1.00 23.90 N ATOM 573 CA LEU A 64 7.886 20.741 20.890 1.00 23.51 C ATOM 574 C LEU A 64 8.891 21.709 21.522 1.00 24.66 C ATOM 575 O LEU A 64 8.493 22.586 22.296 1.00 24.91 O ATOM 576 CB LEU A 64 7.224 21.489 19.698 1.00 23.86 C ATOM 577 CG LEU A 64 6.699 20.700 18.499 1.00 28.51 C ATOM 578 CD1 LEU A 64 5.994 21.600 17.550 1.00 29.26 C ATOM 579 CD2 LEU A 64 7.800 19.965 17.764 1.00 28.22 C ATOM 580 H LEU A 64 6.283 21.084 22.316 1.00 0.00 H ATOM 581 N HIS A 65 10.155 21.584 21.159 1.00 17.21 N ATOM 582 CA HIS A 65 11.197 22.485 21.618 1.00 17.37 C ATOM 583 C HIS A 65 11.878 23.132 20.413 1.00 17.15 C ATOM 584 O HIS A 65 12.322 22.438 19.505 1.00 13.04 O ATOM 585 CB HIS A 65 12.225 21.741 22.505 1.00 19.69 C ATOM 586 CG HIS A 65 11.575 21.032 23.655 1.00 25.42 C ATOM 587 ND1 HIS A 65 11.108 21.731 24.749 1.00 28.55 N ATOM 588 CD2 HIS A 65 11.200 19.735 23.766 1.00 28.52 C ATOM 589 CE1 HIS A 65 10.521 20.833 25.517 1.00 29.04 C ATOM 590 NE2 HIS A 65 10.551 19.619 24.964 1.00 29.26 N ATOM 591 H HIS A 65 10.415 20.808 20.518 1.00 0.00 H ATOM 592 N LYS A 66 11.959 24.456 20.430 1.00 15.90 N ATOM 593 CA LYS A 66 12.650 25.226 19.409 1.00 15.56 C ATOM 594 C LYS A 66 14.175 24.978 19.571 1.00 15.93 C ATOM 595 O LYS A 66 14.732 25.152 20.659 1.00 16.19 O ATOM 596 CB LYS A 66 12.270 26.722 19.535 1.00 19.50 C ATOM 597 CG LYS A 66 12.777 27.615 18.402 1.00 40.35 C ATOM 598 CD LYS A 66 12.356 27.176 16.987 1.00 41.43 C ATOM 599 CE LYS A 66 12.385 28.344 16.045 1.00 46.16 C ATOM 600 NZ LYS A 66 11.309 29.341 16.339 1.00 30.50 N ATOM 601 HZ1 LYS A 66 10.380 28.882 16.253 1.00 0.00 H ATOM 602 HZ2 LYS A 66 11.430 29.705 17.306 1.00 0.00 H ATOM 603 HZ3 LYS A 66 11.372 30.127 15.661 1.00 0.00 H ATOM 604 H LYS A 66 11.505 24.969 21.213 1.00 0.00 H ATOM 605 N VAL A 67 14.823 24.491 18.504 1.00 9.72 N ATOM 606 CA VAL A 67 16.249 24.197 18.536 1.00 10.44 C ATOM 607 C VAL A 67 17.078 25.051 17.577 1.00 10.30 C ATOM 608 O VAL A 67 18.260 25.221 17.800 1.00 10.30 O ATOM 609 CB VAL A 67 16.590 22.715 18.379 1.00 15.13 C ATOM 610 CG1 VAL A 67 16.037 21.933 19.562 1.00 15.40 C ATOM 611 CG2 VAL A 67 16.084 22.164 17.054 1.00 15.00 C ATOM 612 H VAL A 67 14.292 24.318 17.627 1.00 0.00 H ATOM 613 N GLY A 68 16.490 25.563 16.521 1.00 8.77 N ATOM 614 CA GLY A 68 17.300 26.372 15.622 1.00 9.49 C ATOM 615 C GLY A 68 16.530 27.216 14.641 1.00 10.84 C ATOM 616 O GLY A 68 15.317 27.080 14.506 1.00 10.09 O ATOM 617 H GLY A 68 15.481 25.396 16.333 1.00 0.00 H ATOM 618 N GLN A 69 17.242 28.105 13.970 1.00 8.07 N ATOM 619 CA GLN A 69 16.701 28.889 12.869 1.00 7.14 C ATOM 620 C GLN A 69 17.748 28.883 11.772 1.00 10.82 C ATOM 621 O GLN A 69 18.912 29.224 12.024 1.00 11.05 O ATOM 622 CB GLN A 69 16.346 30.317 13.301 1.00 9.04 C ATOM 623 CG GLN A 69 15.681 31.155 12.193 1.00 18.59 C ATOM 624 CD GLN A 69 15.285 32.526 12.694 1.00 35.77 C ATOM 625 OE1 GLN A 69 15.537 32.896 13.858 1.00 32.77 O ATOM 626 NE2 GLN A 69 14.632 33.302 11.830 1.00 19.36 N ATOM 627 HE22 GLN A 69 14.439 32.960 10.867 1.00 0.00 H ATOM 628 HE21 GLN A 69 14.315 34.249 12.119 1.00 0.00 H ATOM 629 H GLN A 69 18.235 28.251 14.241 1.00 0.00 H ATOM 630 N ILE A 70 17.367 28.455 10.562 1.00 8.17 N ATOM 631 CA ILE A 70 18.329 28.423 9.464 1.00 8.37 C ATOM 632 C ILE A 70 17.703 29.122 8.284 1.00 11.16 C ATOM 633 O ILE A 70 16.602 28.742 7.870 1.00 10.46 O ATOM 634 CB ILE A 70 18.727 26.977 9.020 1.00 11.14 C ATOM 635 CG1 ILE A 70 19.215 26.084 10.187 1.00 12.53 C ATOM 636 CG2 ILE A 70 19.785 27.062 7.894 1.00 13.08 C ATOM 637 CD1 ILE A 70 19.170 24.577 9.836 1.00 14.12 C ATOM 638 H ILE A 70 16.387 28.146 10.404 1.00 0.00 H ATOM 639 N VAL A 71 18.450 30.053 7.677 1.00 7.77 N ATOM 640 CA VAL A 71 17.991 30.716 6.468 1.00 7.32 C ATOM 641 C VAL A 71 18.692 30.073 5.270 1.00 11.39 C ATOM 642 O VAL A 71 19.923 29.939 5.263 1.00 11.71 O ATOM 643 CB VAL A 71 18.204 32.259 6.532 1.00 11.73 C ATOM 644 CG1 VAL A 71 17.908 32.932 5.176 1.00 11.34 C ATOM 645 CG2 VAL A 71 17.364 32.888 7.651 1.00 11.23 C ATOM 646 H VAL A 71 19.376 30.306 8.078 1.00 0.00 H ATOM 647 N PHE A 72 17.906 29.633 4.275 1.00 7.43 N ATOM 648 CA PHE A 72 18.490 29.075 3.062 1.00 6.67 C ATOM 649 C PHE A 72 18.303 30.010 1.904 1.00 10.12 C ATOM 650 O PHE A 72 17.208 30.505 1.657 1.00 8.07 O ATOM 651 CB PHE A 72 17.860 27.713 2.722 1.00 8.48 C ATOM 652 CG PHE A 72 18.135 26.670 3.772 1.00 9.15 C ATOM 653 CD1 PHE A 72 19.385 26.055 3.856 1.00 11.37 C ATOM 654 CD2 PHE A 72 17.146 26.282 4.664 1.00 11.10 C ATOM 655 CE1 PHE A 72 19.641 25.082 4.822 1.00 12.56 C ATOM 656 CE2 PHE A 72 17.402 25.310 5.634 1.00 14.32 C ATOM 657 CZ PHE A 72 18.644 24.702 5.695 1.00 11.60 C ATOM 658 H PHE A 72 16.872 29.691 4.370 1.00 0.00 H ATOM 659 N GLU A 73 19.368 30.192 1.155 1.00 7.29 N ATOM 660 CA GLU A 73 19.340 30.965 -0.057 1.00 8.56 C ATOM 661 C GLU A 73 19.708 30.030 -1.227 1.00 13.01 C ATOM 662 O GLU A 73 20.672 29.275 -1.117 1.00 10.74 O ATOM 663 CB GLU A 73 20.385 32.091 0.028 1.00 10.09 C ATOM 664 CG GLU A 73 20.462 32.871 -1.281 1.00 10.57 C ATOM 665 CD GLU A 73 21.567 33.893 -1.392 1.00 17.33 C ATOM 666 OE1 GLU A 73 21.993 34.461 -0.356 1.00 16.58 O ATOM 667 OE2 GLU A 73 21.962 34.170 -2.541 1.00 19.04 O ATOM 668 H GLU A 73 20.266 29.760 1.451 1.00 0.00 H ATOM 669 N PHE A 74 18.951 30.097 -2.334 1.00 11.32 N ATOM 670 CA PHE A 74 19.288 29.376 -3.563 1.00 11.28 C ATOM 671 C PHE A 74 19.610 30.485 -4.543 1.00 13.74 C ATOM 672 O PHE A 74 18.746 31.305 -4.832 1.00 12.11 O ATOM 673 CB PHE A 74 18.136 28.482 -4.061 1.00 12.60 C ATOM 674 CG PHE A 74 17.952 27.261 -3.192 1.00 12.90 C ATOM 675 CD1 PHE A 74 18.719 26.113 -3.399 1.00 14.38 C ATOM 676 CD2 PHE A 74 17.019 27.256 -2.164 1.00 15.87 C ATOM 677 CE1 PHE A 74 18.545 24.974 -2.594 1.00 16.22 C ATOM 678 CE2 PHE A 74 16.871 26.124 -1.332 1.00 18.53 C ATOM 679 CZ PHE A 74 17.628 24.990 -1.564 1.00 16.05 C ATOM 680 H PHE A 74 18.092 30.684 -2.318 1.00 0.00 H ATOM 681 N VAL A 75 20.864 30.574 -4.984 1.00 12.13 N ATOM 682 CA VAL A 75 21.267 31.644 -5.909 1.00 13.39 C ATOM 683 C VAL A 75 20.346 31.681 -7.142 1.00 15.59 C ATOM 684 O VAL A 75 19.963 30.640 -7.660 1.00 13.58 O ATOM 685 CB VAL A 75 22.777 31.645 -6.273 1.00 19.43 C ATOM 686 CG1 VAL A 75 23.628 31.821 -5.018 1.00 18.86 C ATOM 687 CG2 VAL A 75 23.193 30.388 -7.046 1.00 19.94 C ATOM 688 H VAL A 75 21.568 29.876 -4.669 1.00 0.00 H ATOM 689 N GLY A 76 19.884 32.875 -7.482 1.00 14.32 N ATOM 690 CA GLY A 76 18.948 33.047 -8.592 1.00 15.84 C ATOM 691 C GLY A 76 17.490 32.953 -8.183 1.00 22.24 C ATOM 692 O GLY A 76 16.619 33.304 -8.981 1.00 24.19 O ATOM 693 H GLY A 76 20.195 33.711 -6.946 1.00 0.00 H ATOM 694 N GLU A 77 17.200 32.467 -6.952 1.00 15.22 N ATOM 695 CA GLU A 77 15.827 32.336 -6.445 1.00 15.04 C ATOM 696 C GLU A 77 15.573 33.491 -5.471 1.00 16.43 C ATOM 697 O GLU A 77 16.337 33.666 -4.518 1.00 14.94 O ATOM 698 CB GLU A 77 15.585 30.978 -5.764 1.00 15.95 C ATOM 699 H GLU A 77 17.986 32.173 -6.337 1.00 0.00 H ATOM 700 N PRO A 78 14.566 34.340 -5.730 1.00 13.20 N ATOM 701 CA PRO A 78 14.373 35.527 -4.866 1.00 11.71 C ATOM 702 C PRO A 78 14.032 35.252 -3.408 1.00 13.78 C ATOM 703 O PRO A 78 14.457 35.992 -2.519 1.00 12.33 O ATOM 704 CB PRO A 78 13.233 36.297 -5.569 1.00 14.97 C ATOM 705 CG PRO A 78 12.513 35.264 -6.397 1.00 19.65 C ATOM 706 CD PRO A 78 13.606 34.322 -6.857 1.00 15.54 C ATOM 707 N GLU A 79 13.214 34.215 -3.168 1.00 10.58 N ATOM 708 CA GLU A 79 12.722 33.894 -1.846 1.00 11.85 C ATOM 709 C GLU A 79 13.728 33.157 -0.988 1.00 13.49 C ATOM 710 O GLU A 79 14.199 32.081 -1.366 1.00 13.30 O ATOM 711 CB GLU A 79 11.457 33.033 -2.004 1.00 14.52 C ATOM 712 CG GLU A 79 10.440 33.180 -0.887 1.00 28.10 C ATOM 713 CD GLU A 79 9.040 32.795 -1.325 1.00 47.11 C ATOM 714 OE1 GLU A 79 8.733 31.582 -1.337 1.00 34.12 O ATOM 715 OE2 GLU A 79 8.261 33.704 -1.690 1.00 48.55 O ATOM 716 H GLU A 79 12.921 33.617 -3.967 1.00 0.00 H ATOM 717 N LEU A 80 14.038 33.711 0.180 1.00 9.97 N ATOM 718 CA LEU A 80 14.871 33.012 1.166 1.00 8.84 C ATOM 719 C LEU A 80 13.934 32.118 1.986 1.00 13.11 C ATOM 720 O LEU A 80 12.793 32.517 2.252 1.00 12.62 O ATOM 721 CB LEU A 80 15.565 33.988 2.137 1.00 8.43 C ATOM 722 CG LEU A 80 16.555 34.995 1.542 1.00 12.51 C ATOM 723 CD1 LEU A 80 17.206 35.836 2.633 1.00 13.02 C ATOM 724 CD2 LEU A 80 17.651 34.302 0.754 1.00 11.10 C ATOM 725 H LEU A 80 13.682 34.663 0.401 1.00 0.00 H ATOM 726 N MET A 81 14.420 30.939 2.398 1.00 7.95 N ATOM 727 CA MET A 81 13.630 30.045 3.252 1.00 7.03 C ATOM 728 C MET A 81 14.040 30.314 4.681 1.00 10.97 C ATOM 729 O MET A 81 15.191 30.113 5.030 1.00 12.07 O ATOM 730 CB MET A 81 13.875 28.569 2.912 1.00 8.15 C ATOM 731 CG MET A 81 13.449 28.210 1.495 1.00 11.01 C ATOM 732 SD MET A 81 13.906 26.501 1.132 1.00 15.25 S ATOM 733 CE MET A 81 12.708 25.568 2.047 1.00 13.43 C ATOM 734 H MET A 81 15.376 30.652 2.107 1.00 0.00 H ATOM 735 N ASP A 82 13.108 30.771 5.513 1.00 7.90 N ATOM 736 CA ASP A 82 13.432 31.022 6.921 1.00 7.17 C ATOM 737 C ASP A 82 12.899 29.810 7.689 1.00 10.85 C ATOM 738 O ASP A 82 11.696 29.725 7.951 1.00 9.77 O ATOM 739 CB ASP A 82 12.785 32.342 7.350 1.00 9.20 C ATOM 740 CG ASP A 82 12.935 32.684 8.813 1.00 13.56 C ATOM 741 OD1 ASP A 82 13.717 32.006 9.508 1.00 14.71 O ATOM 742 OD2 ASP A 82 12.237 33.595 9.268 1.00 22.61 O ATOM 743 H ASP A 82 12.145 30.951 5.163 1.00 0.00 H ATOM 744 N VAL A 83 13.785 28.844 7.965 1.00 7.10 N ATOM 745 CA VAL A 83 13.383 27.573 8.564 1.00 7.47 C ATOM 746 C VAL A 83 13.546 27.562 10.074 1.00 9.39 C ATOM 747 O VAL A 83 14.655 27.688 10.602 1.00 9.74 O ATOM 748 CB VAL A 83 14.103 26.379 7.877 1.00 10.63 C ATOM 749 CG1 VAL A 83 13.600 25.046 8.432 1.00 9.61 C ATOM 750 CG2 VAL A 83 13.916 26.431 6.346 1.00 11.31 C ATOM 751 H VAL A 83 14.789 29.003 7.746 1.00 0.00 H ATOM 752 N HIS A 84 12.437 27.336 10.763 1.00 6.94 N ATOM 753 CA HIS A 84 12.395 27.274 12.215 1.00 7.05 C ATOM 754 C HIS A 84 12.407 25.808 12.559 1.00 10.85 C ATOM 755 O HIS A 84 11.483 25.074 12.180 1.00 9.90 O ATOM 756 CB HIS A 84 11.146 28.011 12.736 1.00 8.02 C ATOM 757 CG HIS A 84 11.247 29.500 12.557 1.00 11.66 C ATOM 758 ND1 HIS A 84 11.404 30.343 13.633 1.00 13.73 N ATOM 759 CD2 HIS A 84 11.256 30.241 11.417 1.00 13.21 C ATOM 760 CE1 HIS A 84 11.495 31.563 13.124 1.00 12.94 C ATOM 761 NE2 HIS A 84 11.432 31.542 11.793 1.00 12.94 N ATOM 762 H HIS A 84 11.550 27.196 10.238 1.00 0.00 H ATOM 763 N VAL A 85 13.491 25.381 13.222 1.00 7.03 N ATOM 764 CA VAL A 85 13.787 23.980 13.519 1.00 5.90 C ATOM 765 C VAL A 85 13.344 23.631 14.929 1.00 9.76 C ATOM 766 O VAL A 85 13.645 24.348 15.886 1.00 9.31 O ATOM 767 CB VAL A 85 15.281 23.599 13.245 1.00 8.52 C ATOM 768 CG1 VAL A 85 15.505 22.069 13.368 1.00 8.91 C ATOM 769 CG2 VAL A 85 15.755 24.106 11.879 1.00 8.10 C ATOM 770 H VAL A 85 14.170 26.098 13.549 1.00 0.00 H ATOM 771 N PHE A 86 12.615 22.517 15.041 1.00 7.05 N ATOM 772 CA PHE A 86 12.093 22.019 16.305 1.00 7.84 C ATOM 773 C PHE A 86 12.458 20.585 16.550 1.00 12.62 C ATOM 774 O PHE A 86 12.661 19.819 15.598 1.00 11.50 O ATOM 775 CB PHE A 86 10.557 22.123 16.359 1.00 9.47 C ATOM 776 CG PHE A 86 9.983 23.513 16.292 1.00 10.52 C ATOM 777 CD1 PHE A 86 9.760 24.131 15.066 1.00 12.70 C ATOM 778 CD2 PHE A 86 9.627 24.192 17.452 1.00 13.23 C ATOM 779 CE1 PHE A 86 9.236 25.428 15.001 1.00 14.05 C ATOM 780 CE2 PHE A 86 9.102 25.486 17.388 1.00 16.10 C ATOM 781 CZ PHE A 86 8.894 26.090 16.161 1.00 13.90 C ATOM 782 H PHE A 86 12.409 21.976 14.177 1.00 0.00 H ATOM 783 N CYS A 87 12.513 20.221 17.841 1.00 10.71 N ATOM 784 CA CYS A 87 12.831 18.868 18.276 1.00 11.39 C ATOM 785 C CYS A 87 11.780 18.353 19.256 1.00 14.04 C ATOM 786 O CYS A 87 11.226 19.143 20.015 1.00 10.40 O ATOM 787 CB CYS A 87 14.226 18.843 18.894 1.00 12.35 C ATOM 788 SG CYS A 87 14.827 17.191 19.304 1.00 16.52 S ATOM 789 H CYS A 87 12.319 20.941 18.566 1.00 0.00 H ATOM 790 N THR A 88 11.552 17.033 19.274 1.00 12.06 N ATOM 791 CA THR A 88 10.642 16.402 20.223 1.00 14.49 C ATOM 792 C THR A 88 11.128 14.991 20.535 1.00 21.78 C ATOM 793 O THR A 88 11.647 14.314 19.644 1.00 20.49 O ATOM 794 CB THR A 88 9.177 16.366 19.717 1.00 22.44 C ATOM 795 OG1 THR A 88 8.339 15.783 20.737 1.00 23.76 O ATOM 796 CG2 THR A 88 9.006 15.600 18.410 1.00 18.65 C ATOM 797 HG1 THR A 88 8.394 16.330 21.560 1.00 0.00 H ATOM 798 H THR A 88 12.045 16.433 18.582 1.00 0.00 H ATOM 799 N ASP A 89 10.830 14.507 21.748 1.00 21.58 N ATOM 800 CA ASP A 89 11.088 13.130 22.142 1.00 22.87 C ATOM 801 C ASP A 89 9.752 12.498 22.580 1.00 29.27 C ATOM 802 O ASP A 89 9.678 11.274 22.724 1.00 30.42 O ATOM 803 CB ASP A 89 12.151 13.049 23.277 1.00 25.00 C ATOM 804 CG ASP A 89 11.750 13.626 24.630 1.00 36.81 C ATOM 805 OD1 ASP A 89 10.596 14.119 24.760 1.00 36.57 O ATOM 806 OD2 ASP A 89 12.574 13.556 25.571 1.00 41.36 O ATOM 807 H ASP A 89 10.393 15.146 22.442 1.00 0.00 H ATOM 808 N SER A 90 8.721 13.362 22.832 1.00 26.18 N ATOM 809 CA SER A 90 7.354 13.016 23.270 1.00 26.05 C ATOM 810 C SER A 90 6.355 13.075 22.123 1.00 24.25 C ATOM 811 O SER A 90 5.863 14.145 21.759 1.00 23.41 O ATOM 812 CB SER A 90 6.891 13.930 24.405 1.00 31.31 C ATOM 813 H SER A 90 8.923 14.374 22.701 1.00 0.00 H ATOM 814 N ILE A 91 6.051 11.913 21.573 1.00 18.96 N ATOM 815 CA ILE A 91 5.135 11.720 20.446 1.00 16.61 C ATOM 816 C ILE A 91 4.113 10.637 20.779 1.00 18.39 C ATOM 817 O ILE A 91 4.347 9.824 21.684 1.00 17.20 O ATOM 818 CB ILE A 91 5.917 11.352 19.155 1.00 20.35 C ATOM 819 CG1 ILE A 91 6.896 10.155 19.411 1.00 21.71 C ATOM 820 CG2 ILE A 91 6.651 12.579 18.581 1.00 20.38 C ATOM 821 CD1 ILE A 91 6.995 9.155 18.360 1.00 26.26 C ATOM 822 H ILE A 91 6.499 11.064 21.973 1.00 0.00 H ATOM 823 N GLN A 92 3.029 10.589 19.989 1.00 13.83 N ATOM 824 CA GLN A 92 1.962 9.583 20.056 1.00 14.88 C ATOM 825 C GLN A 92 1.686 9.080 18.655 1.00 19.44 C ATOM 826 O GLN A 92 1.734 9.858 17.695 1.00 19.27 O ATOM 827 CB GLN A 92 0.658 10.167 20.647 1.00 16.50 C ATOM 828 CG GLN A 92 0.765 10.464 22.121 1.00 14.56 C ATOM 829 CD GLN A 92 -0.536 11.033 22.611 1.00 31.96 C ATOM 830 OE1 GLN A 92 -1.427 10.306 23.044 1.00 30.64 O ATOM 831 NE2 GLN A 92 -0.692 12.337 22.478 1.00 20.70 N ATOM 832 HE22 GLN A 92 0.086 12.919 22.108 1.00 0.00 H ATOM 833 HE21 GLN A 92 -1.593 12.783 22.744 1.00 0.00 H ATOM 834 H GLN A 92 2.937 11.330 19.265 1.00 0.00 H ATOM 835 N GLY A 93 1.369 7.798 18.556 1.00 17.95 N ATOM 836 CA GLY A 93 1.095 7.150 17.280 1.00 17.87 C ATOM 837 C GLY A 93 2.320 6.477 16.699 1.00 20.32 C ATOM 838 O GLY A 93 3.395 6.476 17.305 1.00 19.19 O ATOM 839 H GLY A 93 1.313 7.230 19.425 1.00 0.00 H ATOM 840 N THR A 94 2.148 5.871 15.535 1.00 17.15 N ATOM 841 CA THR A 94 3.213 5.172 14.808 1.00 16.52 C ATOM 842 C THR A 94 3.380 5.894 13.471 1.00 16.41 C ATOM 843 O THR A 94 2.373 6.278 12.872 1.00 17.92 O ATOM 844 CB THR A 94 2.891 3.653 14.664 1.00 28.36 C ATOM 845 OG1 THR A 94 3.848 3.037 13.799 1.00 34.21 O ATOM 846 CG2 THR A 94 1.511 3.380 14.108 1.00 29.11 C ATOM 847 HG1 THR A 94 3.639 2.073 13.711 1.00 0.00 H ATOM 848 H THR A 94 1.199 5.892 15.110 1.00 0.00 H ATOM 849 N PRO A 95 4.618 6.073 12.970 1.00 12.92 N ATOM 850 CA PRO A 95 4.798 6.785 11.688 1.00 12.36 C ATOM 851 C PRO A 95 4.057 6.069 10.563 1.00 16.88 C ATOM 852 O PRO A 95 4.055 4.845 10.507 1.00 16.08 O ATOM 853 CB PRO A 95 6.321 6.780 11.482 1.00 13.64 C ATOM 854 CG PRO A 95 6.891 6.551 12.834 1.00 17.65 C ATOM 855 CD PRO A 95 5.916 5.671 13.551 1.00 14.45 C ATOM 856 N VAL A 96 3.367 6.840 9.733 1.00 13.08 N ATOM 857 CA VAL A 96 2.529 6.352 8.641 1.00 14.69 C ATOM 858 C VAL A 96 3.261 6.556 7.320 1.00 17.42 C ATOM 859 O VAL A 96 3.672 7.685 7.038 1.00 17.03 O ATOM 860 CB VAL A 96 1.160 7.116 8.633 1.00 18.91 C ATOM 861 CG1 VAL A 96 0.295 6.701 7.440 1.00 19.07 C ATOM 862 CG2 VAL A 96 0.390 6.909 9.938 1.00 19.80 C ATOM 863 H VAL A 96 3.427 7.869 9.870 1.00 0.00 H ATOM 864 N GLU A 97 3.427 5.498 6.514 1.00 14.18 N ATOM 865 CA GLU A 97 4.006 5.662 5.176 1.00 13.35 C ATOM 866 C GLU A 97 2.881 6.056 4.238 1.00 14.80 C ATOM 867 O GLU A 97 1.816 5.423 4.227 1.00 13.81 O ATOM 868 CB GLU A 97 4.759 4.415 4.644 1.00 15.43 C ATOM 869 CG GLU A 97 5.066 4.564 3.154 1.00 20.80 C ATOM 870 CD GLU A 97 6.091 3.658 2.512 1.00 33.29 C ATOM 871 OE1 GLU A 97 6.365 2.591 3.091 1.00 24.08 O ATOM 872 OE2 GLU A 97 6.567 3.976 1.400 1.00 33.68 O ATOM 873 H GLU A 97 3.143 4.552 6.840 1.00 0.00 H ATOM 874 N SER A 98 3.079 7.136 3.501 1.00 12.60 N ATOM 875 CA SER A 98 2.054 7.572 2.559 1.00 12.74 C ATOM 876 C SER A 98 2.666 7.591 1.193 1.00 17.41 C ATOM 877 O SER A 98 3.884 7.368 1.065 1.00 14.96 O ATOM 878 CB SER A 98 1.520 8.950 2.948 1.00 13.24 C ATOM 879 OG SER A 98 2.557 9.914 2.853 1.00 17.20 O ATOM 880 HG SER A 98 2.203 10.803 3.106 1.00 0.00 H ATOM 881 H SER A 98 3.964 7.674 3.593 1.00 0.00 H ATOM 882 N ASP A 99 1.872 7.932 0.164 1.00 15.53 N ATOM 883 CA ASP A 99 2.438 8.049 -1.170 1.00 16.95 C ATOM 884 C ASP A 99 3.442 9.217 -1.251 1.00 20.66 C ATOM 885 O ASP A 99 4.270 9.213 -2.140 1.00 22.60 O ATOM 886 CB ASP A 99 1.366 8.174 -2.265 1.00 19.76 C ATOM 887 CG ASP A 99 1.994 8.097 -3.640 1.00 29.33 C ATOM 888 OD1 ASP A 99 2.759 7.135 -3.893 1.00 29.13 O ATOM 889 OD2 ASP A 99 1.831 9.051 -4.415 1.00 35.82 O ATOM 890 H ASP A 99 0.860 8.111 0.321 1.00 0.00 H ATOM 891 N GLU A 100 3.390 10.177 -0.321 1.00 15.22 N ATOM 892 CA GLU A 100 4.294 11.327 -0.312 1.00 14.64 C ATOM 893 C GLU A 100 5.567 11.127 0.506 1.00 17.37 C ATOM 894 O GLU A 100 6.583 11.756 0.210 1.00 17.03 O ATOM 895 CB GLU A 100 3.555 12.575 0.218 1.00 16.11 C ATOM 896 H GLU A 100 2.674 10.102 0.430 1.00 0.00 H ATOM 897 N MET A 101 5.519 10.266 1.532 1.00 13.60 N ATOM 898 CA MET A 101 6.611 10.143 2.498 1.00 13.98 C ATOM 899 C MET A 101 6.800 8.723 3.024 1.00 16.99 C ATOM 900 O MET A 101 5.833 8.062 3.439 1.00 14.17 O ATOM 901 CB MET A 101 6.277 11.102 3.671 1.00 16.58 C ATOM 902 CG MET A 101 7.403 11.336 4.646 1.00 19.97 C ATOM 903 SD MET A 101 8.705 12.381 3.949 1.00 24.66 S ATOM 904 CE MET A 101 7.914 14.059 4.074 1.00 21.57 C ATOM 905 H MET A 101 4.678 9.665 1.645 1.00 0.00 H ATOM 906 N ARG A 102 8.062 8.266 3.047 1.00 13.26 N ATOM 907 CA ARG A 102 8.432 6.961 3.590 1.00 11.63 C ATOM 908 C ARG A 102 9.259 7.168 4.899 1.00 16.44 C ATOM 909 O ARG A 102 10.461 7.452 4.846 1.00 13.24 O ATOM 910 CB ARG A 102 9.221 6.157 2.541 1.00 11.35 C ATOM 911 CG ARG A 102 9.689 4.786 3.012 1.00 14.56 C ATOM 912 CD ARG A 102 10.225 3.952 1.867 1.00 12.17 C ATOM 913 NE ARG A 102 11.398 4.514 1.176 1.00 14.37 N ATOM 914 CZ ARG A 102 12.667 4.183 1.417 1.00 19.18 C ATOM 915 NH1 ARG A 102 12.964 3.313 2.374 1.00 14.92 N ATOM 916 NH2 ARG A 102 13.647 4.710 0.692 1.00 16.70 N ATOM 917 HE ARG A 102 11.222 5.227 0.440 1.00 0.00 H ATOM 918 HH12 ARG A 102 13.956 3.059 2.557 1.00 0.00 H ATOM 919 HH11 ARG A 102 12.205 2.885 2.941 1.00 0.00 H ATOM 920 HH22 ARG A 102 14.635 4.448 0.884 1.00 0.00 H ATOM 921 HH21 ARG A 102 13.427 5.385 -0.068 1.00 0.00 H ATOM 922 H ARG A 102 8.814 8.871 2.659 1.00 0.00 H ATOM 923 N PRO A 103 8.638 7.071 6.087 1.00 13.86 N ATOM 924 CA PRO A 103 9.411 7.260 7.333 1.00 12.86 C ATOM 925 C PRO A 103 10.216 6.029 7.742 1.00 14.29 C ATOM 926 O PRO A 103 9.817 4.883 7.466 1.00 13.82 O ATOM 927 CB PRO A 103 8.342 7.610 8.388 1.00 15.29 C ATOM 928 CG PRO A 103 7.011 7.588 7.658 1.00 22.25 C ATOM 929 CD PRO A 103 7.217 6.796 6.385 1.00 17.13 C ATOM 930 N CYS A 104 11.357 6.286 8.400 1.00 10.42 N ATOM 931 CA CYS A 104 12.247 5.269 8.927 1.00 11.32 C ATOM 932 C CYS A 104 13.016 5.786 10.131 1.00 11.57 C ATOM 933 O CYS A 104 13.447 6.945 10.131 1.00 11.51 O ATOM 934 CB CYS A 104 13.196 4.799 7.839 1.00 13.60 C ATOM 935 SG CYS A 104 13.977 3.226 8.199 1.00 18.98 S ATOM 936 H CYS A 104 11.621 7.282 8.542 1.00 0.00 H ATOM 937 N TRP A 105 13.226 4.927 11.132 1.00 10.52 N ATOM 938 CA TRP A 105 14.004 5.264 12.321 1.00 11.69 C ATOM 939 C TRP A 105 15.464 4.964 11.975 1.00 16.28 C ATOM 940 O TRP A 105 15.752 3.900 11.387 1.00 15.40 O ATOM 941 CB TRP A 105 13.594 4.368 13.499 1.00 11.10 C ATOM 942 CG TRP A 105 12.262 4.730 14.082 1.00 11.55 C ATOM 943 CD1 TRP A 105 11.104 4.023 13.970 1.00 15.27 C ATOM 944 CD2 TRP A 105 11.966 5.863 14.911 1.00 11.35 C ATOM 945 NE1 TRP A 105 10.090 4.662 14.647 1.00 14.70 N ATOM 946 CE2 TRP A 105 10.597 5.784 15.255 1.00 15.56 C ATOM 947 CE3 TRP A 105 12.731 6.930 15.419 1.00 12.50 C ATOM 948 CZ2 TRP A 105 9.958 6.772 16.022 1.00 14.00 C ATOM 949 CZ3 TRP A 105 12.113 7.867 16.240 1.00 13.92 C ATOM 950 CH2 TRP A 105 10.741 7.788 16.523 1.00 14.62 C ATOM 951 HE1 TRP A 105 9.100 4.346 14.691 1.00 0.00 H ATOM 952 H TRP A 105 12.816 3.974 11.061 1.00 0.00 H ATOM 953 N PHE A 106 16.378 5.867 12.367 1.00 11.28 N ATOM 954 CA PHE A 106 17.809 5.699 12.186 1.00 10.38 C ATOM 955 C PHE A 106 18.504 5.762 13.525 1.00 15.58 C ATOM 956 O PHE A 106 18.271 6.708 14.291 1.00 14.29 O ATOM 957 CB PHE A 106 18.406 6.800 11.273 1.00 10.75 C ATOM 958 CG PHE A 106 17.924 6.685 9.844 1.00 11.65 C ATOM 959 CD1 PHE A 106 16.735 7.283 9.445 1.00 12.01 C ATOM 960 CD2 PHE A 106 18.628 5.926 8.918 1.00 12.62 C ATOM 961 CE1 PHE A 106 16.255 7.117 8.148 1.00 12.01 C ATOM 962 CE2 PHE A 106 18.177 5.804 7.607 1.00 14.08 C ATOM 963 CZ PHE A 106 16.977 6.370 7.236 1.00 11.74 C ATOM 964 H PHE A 106 16.041 6.737 12.827 1.00 0.00 H ATOM 965 N GLN A 107 19.417 4.810 13.778 1.00 13.50 N ATOM 966 CA GLN A 107 20.282 4.866 14.964 1.00 12.86 C ATOM 967 C GLN A 107 21.153 6.112 14.811 1.00 15.18 C ATOM 968 O GLN A 107 21.473 6.497 13.687 1.00 13.29 O ATOM 969 CB GLN A 107 21.171 3.599 15.046 1.00 14.45 C ATOM 970 CG GLN A 107 20.367 2.322 15.298 1.00 21.51 C ATOM 971 CD GLN A 107 19.725 2.336 16.665 1.00 41.37 C ATOM 972 OE1 GLN A 107 20.403 2.363 17.700 1.00 36.50 O ATOM 973 NE2 GLN A 107 18.400 2.371 16.698 1.00 29.32 N ATOM 974 HE22 GLN A 107 17.857 2.347 15.811 1.00 0.00 H ATOM 975 HE21 GLN A 107 17.904 2.423 17.611 1.00 0.00 H ATOM 976 H GLN A 107 19.514 4.013 13.117 1.00 0.00 H ATOM 977 N LEU A 108 21.547 6.748 15.921 1.00 14.57 N ATOM 978 CA LEU A 108 22.309 8.003 15.832 1.00 15.87 C ATOM 979 C LEU A 108 23.664 7.883 15.112 1.00 22.27 C ATOM 980 O LEU A 108 24.059 8.838 14.458 1.00 23.52 O ATOM 981 CB LEU A 108 22.457 8.665 17.193 1.00 16.23 C ATOM 982 CG LEU A 108 21.138 8.911 17.966 1.00 19.94 C ATOM 983 CD1 LEU A 108 21.413 9.690 19.232 1.00 20.01 C ATOM 984 CD2 LEU A 108 20.098 9.647 17.102 1.00 20.00 C ATOM 985 H LEU A 108 21.313 6.352 16.854 1.00 0.00 H ATOM 986 N ASP A 109 24.317 6.713 15.162 1.00 21.18 N ATOM 987 CA ASP A 109 25.601 6.480 14.484 1.00 22.26 C ATOM 988 C ASP A 109 25.403 6.138 13.003 1.00 24.45 C ATOM 989 O ASP A 109 26.389 5.994 12.268 1.00 24.88 O ATOM 990 CB ASP A 109 26.393 5.358 15.204 1.00 25.45 C ATOM 991 CG ASP A 109 25.790 3.947 15.147 1.00 41.06 C ATOM 992 OD1 ASP A 109 24.546 3.818 15.247 1.00 39.29 O ATOM 993 OD2 ASP A 109 26.570 2.969 15.057 1.00 52.33 O ATOM 994 H ASP A 109 23.895 5.933 15.706 1.00 0.00 H ATOM 995 N GLN A 110 24.132 6.001 12.571 1.00 17.04 N ATOM 996 CA GLN A 110 23.768 5.587 11.216 1.00 15.04 C ATOM 997 C GLN A 110 22.913 6.609 10.433 1.00 15.40 C ATOM 998 O GLN A 110 22.199 6.212 9.498 1.00 14.47 O ATOM 999 CB GLN A 110 23.079 4.222 11.261 1.00 16.61 C ATOM 1000 CG GLN A 110 24.006 3.090 11.701 1.00 28.02 C ATOM 1001 CD GLN A 110 23.335 1.761 11.525 1.00 51.57 C ATOM 1002 OE1 GLN A 110 23.375 1.165 10.450 1.00 52.53 O ATOM 1003 NE2 GLN A 110 22.668 1.283 12.567 1.00 45.93 N ATOM 1004 HE22 GLN A 110 22.654 1.812 13.462 1.00 0.00 H ATOM 1005 HE21 GLN A 110 22.159 0.379 12.489 1.00 0.00 H ATOM 1006 H GLN A 110 23.364 6.202 13.243 1.00 0.00 H ATOM 1007 N ILE A 111 22.988 7.911 10.810 1.00 11.00 N ATOM 1008 CA ILE A 111 22.258 8.993 10.121 1.00 11.59 C ATOM 1009 C ILE A 111 22.732 9.013 8.657 1.00 12.89 C ATOM 1010 O ILE A 111 23.943 9.040 8.441 1.00 13.05 O ATOM 1011 CB ILE A 111 22.479 10.389 10.796 1.00 15.39 C ATOM 1012 CG1 ILE A 111 22.312 10.365 12.344 1.00 17.23 C ATOM 1013 CG2 ILE A 111 21.608 11.480 10.164 1.00 15.55 C ATOM 1014 CD1 ILE A 111 21.065 9.834 12.886 1.00 26.85 C ATOM 1015 H ILE A 111 23.588 8.158 11.623 1.00 0.00 H ATOM 1016 N PRO A 112 21.812 8.928 7.649 1.00 10.37 N ATOM 1017 CA PRO A 112 22.242 8.882 6.235 1.00 10.22 C ATOM 1018 C PRO A 112 22.607 10.214 5.570 1.00 14.08 C ATOM 1019 O PRO A 112 21.983 10.627 4.574 1.00 12.91 O ATOM 1020 CB PRO A 112 21.018 8.255 5.554 1.00 12.04 C ATOM 1021 CG PRO A 112 19.859 8.823 6.331 1.00 15.97 C ATOM 1022 CD PRO A 112 20.332 8.848 7.755 1.00 12.89 C ATOM 1023 N PHE A 113 23.648 10.862 6.075 1.00 12.09 N ATOM 1024 CA PHE A 113 24.086 12.168 5.582 1.00 11.57 C ATOM 1025 C PHE A 113 24.277 12.268 4.073 1.00 14.45 C ATOM 1026 O PHE A 113 23.913 13.289 3.498 1.00 14.18 O ATOM 1027 CB PHE A 113 25.349 12.614 6.314 1.00 13.02 C ATOM 1028 CG PHE A 113 25.020 12.962 7.743 1.00 12.64 C ATOM 1029 CD1 PHE A 113 24.211 14.060 8.042 1.00 13.54 C ATOM 1030 CD2 PHE A 113 25.517 12.197 8.791 1.00 13.52 C ATOM 1031 CE1 PHE A 113 23.915 14.391 9.364 1.00 13.39 C ATOM 1032 CE2 PHE A 113 25.212 12.516 10.112 1.00 16.48 C ATOM 1033 CZ PHE A 113 24.422 13.620 10.395 1.00 13.66 C ATOM 1034 H PHE A 113 24.176 10.423 6.856 1.00 0.00 H ATOM 1035 N LYS A 114 24.807 11.217 3.429 1.00 12.61 N ATOM 1036 CA LYS A 114 25.015 11.229 1.976 1.00 13.72 C ATOM 1037 C LYS A 114 23.695 11.328 1.192 1.00 16.96 C ATOM 1038 O LYS A 114 23.690 11.806 0.051 1.00 16.48 O ATOM 1039 CB LYS A 114 25.807 9.991 1.523 1.00 17.08 C ATOM 1040 H LYS A 114 25.077 10.373 3.973 1.00 0.00 H ATOM 1041 N ASP A 115 22.576 10.906 1.816 1.00 11.97 N ATOM 1042 CA ASP A 115 21.242 10.913 1.201 1.00 11.79 C ATOM 1043 C ASP A 115 20.341 11.951 1.867 1.00 13.13 C ATOM 1044 O ASP A 115 19.127 11.782 1.898 1.00 12.32 O ATOM 1045 CB ASP A 115 20.610 9.498 1.316 1.00 13.70 C ATOM 1046 CG ASP A 115 21.225 8.460 0.401 1.00 27.02 C ATOM 1047 OD1 ASP A 115 21.285 8.709 -0.808 1.00 30.61 O ATOM 1048 OD2 ASP A 115 21.541 7.357 0.886 1.00 34.18 O ATOM 1049 H ASP A 115 22.663 10.555 2.791 1.00 0.00 H ATOM 1050 N MET A 116 20.934 13.010 2.422 1.00 7.52 N ATOM 1051 CA MET A 116 20.181 14.087 3.059 1.00 7.34 C ATOM 1052 C MET A 116 20.644 15.401 2.441 1.00 12.12 C ATOM 1053 O MET A 116 21.674 15.416 1.739 1.00 11.16 O ATOM 1054 CB MET A 116 20.485 14.095 4.582 1.00 8.09 C ATOM 1055 CG MET A 116 19.795 12.962 5.331 1.00 9.71 C ATOM 1056 SD MET A 116 20.545 12.649 6.939 1.00 11.93 S ATOM 1057 CE MET A 116 19.708 13.915 7.932 1.00 10.82 C ATOM 1058 H MET A 116 21.972 13.071 2.400 1.00 0.00 H ATOM 1059 N TRP A 117 19.929 16.511 2.723 1.00 7.80 N ATOM 1060 CA TRP A 117 20.389 17.811 2.248 1.00 8.55 C ATOM 1061 C TRP A 117 21.833 18.010 2.776 1.00 11.67 C ATOM 1062 O TRP A 117 22.107 17.645 3.919 1.00 10.74 O ATOM 1063 CB TRP A 117 19.498 18.941 2.774 1.00 8.32 C ATOM 1064 CG TRP A 117 18.205 19.098 2.020 1.00 9.87 C ATOM 1065 CD1 TRP A 117 16.987 18.606 2.380 1.00 12.59 C ATOM 1066 CD2 TRP A 117 18.017 19.753 0.751 1.00 10.46 C ATOM 1067 NE1 TRP A 117 16.037 18.956 1.443 1.00 12.95 N ATOM 1068 CE2 TRP A 117 16.648 19.637 0.418 1.00 14.31 C ATOM 1069 CE3 TRP A 117 18.868 20.468 -0.120 1.00 12.12 C ATOM 1070 CZ2 TRP A 117 16.105 20.219 -0.739 1.00 13.60 C ATOM 1071 CZ3 TRP A 117 18.334 21.028 -1.275 1.00 13.45 C ATOM 1072 CH2 TRP A 117 16.969 20.903 -1.578 1.00 13.80 C ATOM 1073 HE1 TRP A 117 15.022 18.739 1.503 1.00 0.00 H ATOM 1074 H TRP A 117 19.052 16.439 3.278 1.00 0.00 H ATOM 1075 N PRO A 118 22.760 18.558 1.962 1.00 9.09 N ATOM 1076 CA PRO A 118 24.161 18.710 2.423 1.00 9.30 C ATOM 1077 C PRO A 118 24.353 19.524 3.713 1.00 12.14 C ATOM 1078 O PRO A 118 25.305 19.267 4.480 1.00 10.33 O ATOM 1079 CB PRO A 118 24.862 19.433 1.255 1.00 11.50 C ATOM 1080 CG PRO A 118 23.932 19.470 0.148 1.00 15.84 C ATOM 1081 CD PRO A 118 22.593 18.943 0.540 1.00 10.57 C ATOM 1082 N ASP A 119 23.463 20.530 3.946 1.00 8.33 N ATOM 1083 CA ASP A 119 23.572 21.377 5.143 1.00 6.63 C ATOM 1084 C ASP A 119 23.403 20.580 6.442 1.00 9.67 C ATOM 1085 O ASP A 119 23.957 20.944 7.477 1.00 10.26 O ATOM 1086 CB ASP A 119 22.555 22.525 5.090 1.00 7.56 C ATOM 1087 CG ASP A 119 21.117 22.039 4.958 1.00 13.41 C ATOM 1088 OD1 ASP A 119 20.698 21.745 3.834 1.00 14.79 O ATOM 1089 OD2 ASP A 119 20.403 22.045 5.958 1.00 11.59 O ATOM 1090 H ASP A 119 22.695 20.701 3.266 1.00 0.00 H ATOM 1091 N ASP A 120 22.648 19.487 6.393 1.00 7.44 N ATOM 1092 CA ASP A 120 22.394 18.664 7.584 1.00 6.44 C ATOM 1093 C ASP A 120 23.681 18.178 8.276 1.00 9.94 C ATOM 1094 O ASP A 120 23.717 18.101 9.489 1.00 9.63 O ATOM 1095 CB ASP A 120 21.534 17.436 7.210 1.00 7.12 C ATOM 1096 CG ASP A 120 20.142 17.810 6.708 1.00 17.29 C ATOM 1097 OD1 ASP A 120 19.973 18.946 6.191 1.00 20.78 O ATOM 1098 OD2 ASP A 120 19.300 16.919 6.622 1.00 17.45 O ATOM 1099 H ASP A 120 22.225 19.206 5.486 1.00 0.00 H ATOM 1100 N SER A 121 24.718 17.821 7.505 1.00 8.35 N ATOM 1101 CA SER A 121 26.011 17.339 8.048 1.00 8.93 C ATOM 1102 C SER A 121 26.629 18.373 8.986 1.00 13.80 C ATOM 1103 O SER A 121 27.391 18.000 9.891 1.00 11.96 O ATOM 1104 CB SER A 121 26.977 17.059 6.896 1.00 11.11 C ATOM 1105 OG SER A 121 26.439 15.972 6.159 1.00 20.54 O ATOM 1106 HG SER A 121 25.545 16.219 5.814 1.00 0.00 H ATOM 1107 H SER A 121 24.610 17.885 6.473 1.00 0.00 H ATOM 1108 N TYR A 122 26.286 19.687 8.767 1.00 8.97 N ATOM 1109 CA TYR A 122 26.810 20.815 9.560 1.00 9.00 C ATOM 1110 C TYR A 122 26.081 21.022 10.897 1.00 13.70 C ATOM 1111 O TYR A 122 26.746 21.222 11.915 1.00 13.67 O ATOM 1112 CB TYR A 122 26.743 22.144 8.763 1.00 10.16 C ATOM 1113 CG TYR A 122 27.640 22.185 7.541 1.00 12.65 C ATOM 1114 CD1 TYR A 122 27.251 21.585 6.347 1.00 14.13 C ATOM 1115 CD2 TYR A 122 28.864 22.850 7.566 1.00 16.04 C ATOM 1116 CE1 TYR A 122 28.086 21.587 5.229 1.00 16.06 C ATOM 1117 CE2 TYR A 122 29.705 22.867 6.443 1.00 19.21 C ATOM 1118 CZ TYR A 122 29.291 22.258 5.266 1.00 23.78 C ATOM 1119 OH TYR A 122 30.042 22.290 4.106 1.00 27.98 O ATOM 1120 HH TYR A 122 29.565 21.797 3.392 1.00 0.00 H ATOM 1121 H TYR A 122 25.619 19.897 7.998 1.00 0.00 H ATOM 1122 N TRP A 123 24.721 21.021 10.898 1.00 9.28 N ATOM 1123 CA TRP A 123 23.962 21.356 12.120 1.00 9.29 C ATOM 1124 C TRP A 123 23.396 20.144 12.880 1.00 12.31 C ATOM 1125 O TRP A 123 23.103 20.258 14.069 1.00 9.63 O ATOM 1126 CB TRP A 123 22.849 22.398 11.826 1.00 8.46 C ATOM 1127 CG TRP A 123 21.877 21.980 10.753 1.00 9.44 C ATOM 1128 CD1 TRP A 123 21.927 22.301 9.425 1.00 11.46 C ATOM 1129 CD2 TRP A 123 20.670 21.236 10.940 1.00 10.19 C ATOM 1130 NE1 TRP A 123 20.836 21.782 8.774 1.00 10.08 N ATOM 1131 CE2 TRP A 123 20.016 21.180 9.687 1.00 12.56 C ATOM 1132 CE3 TRP A 123 20.053 20.648 12.058 1.00 12.15 C ATOM 1133 CZ2 TRP A 123 18.819 20.481 9.500 1.00 12.92 C ATOM 1134 CZ3 TRP A 123 18.854 19.983 11.880 1.00 13.98 C ATOM 1135 CH2 TRP A 123 18.279 19.852 10.606 1.00 14.47 C ATOM 1136 HE1 TRP A 123 20.661 21.838 7.750 1.00 0.00 H ATOM 1137 H TRP A 123 24.208 20.781 10.026 1.00 0.00 H ATOM 1138 N PHE A 124 23.243 18.994 12.225 1.00 11.23 N ATOM 1139 CA PHE A 124 22.791 17.794 12.939 1.00 13.44 C ATOM 1140 C PHE A 124 23.747 17.474 14.114 1.00 15.76 C ATOM 1141 O PHE A 124 23.235 17.166 15.186 1.00 16.22 O ATOM 1142 CB PHE A 124 22.745 16.593 11.995 1.00 16.26 C ATOM 1143 CG PHE A 124 21.367 16.025 11.874 1.00 17.77 C ATOM 1144 CD1 PHE A 124 20.391 16.682 11.139 1.00 20.99 C ATOM 1145 CD2 PHE A 124 21.034 14.838 12.511 1.00 21.07 C ATOM 1146 CE1 PHE A 124 19.105 16.163 11.051 1.00 20.58 C ATOM 1147 CE2 PHE A 124 19.751 14.309 12.406 1.00 21.99 C ATOM 1148 CZ PHE A 124 18.802 14.971 11.667 1.00 18.57 C ATOM 1149 H PHE A 124 23.444 18.947 11.206 1.00 0.00 H ATOM 1150 N PRO A 125 25.104 17.570 13.996 1.00 12.28 N ATOM 1151 CA PRO A 125 25.948 17.294 15.176 1.00 12.23 C ATOM 1152 C PRO A 125 25.596 18.179 16.381 1.00 15.77 C ATOM 1153 O PRO A 125 25.662 17.710 17.518 1.00 15.90 O ATOM 1154 CB PRO A 125 27.374 17.524 14.672 1.00 13.95 C ATOM 1155 CG PRO A 125 27.308 17.321 13.186 1.00 18.62 C ATOM 1156 CD PRO A 125 25.937 17.836 12.795 1.00 13.35 C ATOM 1157 N LEU A 126 25.136 19.425 16.134 1.00 11.43 N ATOM 1158 CA LEU A 126 24.732 20.332 17.209 1.00 11.45 C ATOM 1159 C LEU A 126 23.414 19.884 17.793 1.00 12.43 C ATOM 1160 O LEU A 126 23.252 19.838 19.010 1.00 11.26 O ATOM 1161 CB LEU A 126 24.639 21.800 16.717 1.00 11.03 C ATOM 1162 CG LEU A 126 25.905 22.377 16.021 1.00 15.24 C ATOM 1163 CD1 LEU A 126 25.634 23.779 15.490 1.00 15.77 C ATOM 1164 CD2 LEU A 126 27.090 22.454 16.982 1.00 19.15 C ATOM 1165 H LEU A 126 25.067 19.750 15.148 1.00 0.00 H ATOM 1166 N LEU A 127 22.488 19.514 16.906 1.00 10.36 N ATOM 1167 CA LEU A 127 21.165 19.027 17.270 1.00 12.16 C ATOM 1168 C LEU A 127 21.315 17.804 18.194 1.00 14.82 C ATOM 1169 O LEU A 127 20.656 17.742 19.225 1.00 15.08 O ATOM 1170 CB LEU A 127 20.423 18.659 15.972 1.00 12.75 C ATOM 1171 CG LEU A 127 19.097 17.956 16.129 1.00 21.00 C ATOM 1172 CD1 LEU A 127 18.056 18.953 16.518 1.00 22.29 C ATOM 1173 CD2 LEU A 127 18.710 17.232 14.857 1.00 24.02 C ATOM 1174 H LEU A 127 22.725 19.577 15.895 1.00 0.00 H ATOM 1175 N LEU A 128 22.207 16.868 17.844 1.00 12.25 N ATOM 1176 CA LEU A 128 22.439 15.635 18.607 1.00 12.01 C ATOM 1177 C LEU A 128 23.018 15.878 20.001 1.00 16.88 C ATOM 1178 O LEU A 128 22.800 15.073 20.914 1.00 18.08 O ATOM 1179 CB LEU A 128 23.321 14.647 17.803 1.00 12.10 C ATOM 1180 CG LEU A 128 22.718 14.107 16.472 1.00 17.36 C ATOM 1181 CD1 LEU A 128 23.720 13.234 15.750 1.00 18.46 C ATOM 1182 CD2 LEU A 128 21.432 13.321 16.709 1.00 19.07 C ATOM 1183 H LEU A 128 22.768 17.024 16.982 1.00 0.00 H ATOM 1184 N GLN A 129 23.757 16.978 20.160 1.00 11.44 N ATOM 1185 CA GLN A 129 24.357 17.335 21.428 1.00 11.95 C ATOM 1186 C GLN A 129 23.522 18.346 22.220 1.00 15.13 C ATOM 1187 O GLN A 129 24.024 18.925 23.179 1.00 13.54 O ATOM 1188 CB GLN A 129 25.807 17.791 21.217 1.00 12.95 C ATOM 1189 CG GLN A 129 26.705 16.546 21.015 1.00 12.88 C ATOM 1190 CD GLN A 129 28.167 16.832 20.803 1.00 27.05 C ATOM 1191 OE1 GLN A 129 28.599 17.995 20.770 1.00 21.88 O ATOM 1192 NE2 GLN A 129 28.977 15.761 20.732 1.00 13.77 N ATOM 1193 HE22 GLN A 129 28.575 14.802 20.763 1.00 0.00 H ATOM 1194 HE21 GLN A 129 30.005 15.891 20.646 1.00 0.00 H ATOM 1195 H GLN A 129 23.907 17.602 19.342 1.00 0.00 H ATOM 1196 N LYS A 130 22.223 18.493 21.862 1.00 12.66 N ATOM 1197 CA LYS A 130 21.243 19.355 22.540 1.00 14.54 C ATOM 1198 C LYS A 130 21.617 20.844 22.495 1.00 16.92 C ATOM 1199 O LYS A 130 21.295 21.602 23.418 1.00 16.57 O ATOM 1200 CB LYS A 130 20.999 18.874 24.008 1.00 18.30 C ATOM 1201 CG LYS A 130 20.326 17.506 24.128 1.00 27.52 C ATOM 1202 CD LYS A 130 18.828 17.533 23.788 1.00 46.37 C ATOM 1203 CE LYS A 130 18.507 16.691 22.566 1.00 47.73 C ATOM 1204 NZ LYS A 130 17.071 16.794 22.180 1.00 35.41 N ATOM 1205 HZ1 LYS A 130 16.477 16.465 22.968 1.00 0.00 H ATOM 1206 HZ2 LYS A 130 16.842 17.785 21.962 1.00 0.00 H ATOM 1207 HZ3 LYS A 130 16.895 16.204 21.342 1.00 0.00 H ATOM 1208 H LYS A 130 21.891 17.951 21.039 1.00 0.00 H ATOM 1209 N LYS A 131 22.307 21.265 21.418 1.00 11.79 N ATOM 1210 CA LYS A 131 22.693 22.659 21.262 1.00 10.55 C ATOM 1211 C LYS A 131 21.668 23.375 20.390 1.00 14.55 C ATOM 1212 O LYS A 131 21.022 22.746 19.537 1.00 13.89 O ATOM 1213 CB LYS A 131 24.083 22.767 20.585 1.00 14.33 C ATOM 1214 CG LYS A 131 25.226 22.089 21.341 1.00 31.43 C ATOM 1215 CD LYS A 131 25.569 22.841 22.619 1.00 44.51 C ATOM 1216 CE LYS A 131 26.478 22.047 23.512 1.00 50.95 C ATOM 1217 NZ LYS A 131 26.685 22.725 24.816 1.00 51.32 N ATOM 1218 HZ1 LYS A 131 27.113 23.659 24.656 1.00 0.00 H ATOM 1219 HZ2 LYS A 131 25.769 22.840 25.295 1.00 0.00 H ATOM 1220 HZ3 LYS A 131 27.318 22.150 25.408 1.00 0.00 H ATOM 1221 H LYS A 131 22.570 20.579 20.682 1.00 0.00 H ATOM 1222 N LYS A 132 21.554 24.703 20.569 1.00 9.35 N ATOM 1223 CA LYS A 132 20.648 25.507 19.766 1.00 7.99 C ATOM 1224 C LYS A 132 21.512 26.298 18.799 1.00 10.81 C ATOM 1225 O LYS A 132 22.672 26.587 19.119 1.00 11.27 O ATOM 1226 CB LYS A 132 19.760 26.414 20.629 1.00 10.26 C ATOM 1227 CG LYS A 132 18.826 25.622 21.571 1.00 12.09 C ATOM 1228 CD LYS A 132 18.124 26.507 22.566 1.00 21.15 C ATOM 1229 CE LYS A 132 17.397 25.690 23.609 1.00 47.49 C ATOM 1230 NZ LYS A 132 18.329 24.911 24.481 1.00 66.89 N ATOM 1231 HZ1 LYS A 132 18.886 24.258 23.894 1.00 0.00 H ATOM 1232 HZ2 LYS A 132 18.968 25.566 24.976 1.00 0.00 H ATOM 1233 HZ3 LYS A 132 17.779 24.369 25.178 1.00 0.00 H ATOM 1234 H LYS A 132 22.129 25.167 21.301 1.00 0.00 H ATOM 1235 N PHE A 133 20.978 26.660 17.625 1.00 8.88 N ATOM 1236 CA PHE A 133 21.815 27.319 16.617 1.00 8.74 C ATOM 1237 C PHE A 133 21.089 28.263 15.697 1.00 12.50 C ATOM 1238 O PHE A 133 19.881 28.161 15.540 1.00 10.74 O ATOM 1239 CB PHE A 133 22.556 26.255 15.758 1.00 11.12 C ATOM 1240 CG PHE A 133 21.613 25.228 15.171 1.00 13.43 C ATOM 1241 CD1 PHE A 133 20.985 25.452 13.950 1.00 14.38 C ATOM 1242 CD2 PHE A 133 21.305 24.062 15.870 1.00 16.59 C ATOM 1243 CE1 PHE A 133 20.040 24.551 13.460 1.00 15.18 C ATOM 1244 CE2 PHE A 133 20.360 23.157 15.373 1.00 19.27 C ATOM 1245 CZ PHE A 133 19.746 23.400 14.162 1.00 16.36 C ATOM 1246 H PHE A 133 19.974 26.474 17.429 1.00 0.00 H ATOM 1247 N HIS A 134 21.861 29.167 15.067 1.00 10.21 N ATOM 1248 CA HIS A 134 21.414 30.070 14.027 1.00 9.69 C ATOM 1249 C HIS A 134 22.322 29.779 12.865 1.00 12.18 C ATOM 1250 O HIS A 134 23.554 29.751 13.021 1.00 10.65 O ATOM 1251 CB HIS A 134 21.529 31.553 14.415 1.00 10.79 C ATOM 1252 CG HIS A 134 20.405 32.061 15.268 1.00 14.95 C ATOM 1253 ND1 HIS A 134 20.285 33.408 15.560 1.00 16.94 N ATOM 1254 CD2 HIS A 134 19.368 31.393 15.832 1.00 15.82 C ATOM 1255 CE1 HIS A 134 19.200 33.516 16.312 1.00 17.08 C ATOM 1256 NE2 HIS A 134 18.617 32.332 16.504 1.00 16.66 N ATOM 1257 H HIS A 134 22.860 29.222 15.350 1.00 0.00 H ATOM 1258 N GLY A 135 21.723 29.542 11.709 1.00 10.13 N ATOM 1259 CA GLY A 135 22.504 29.215 10.521 1.00 10.36 C ATOM 1260 C GLY A 135 22.022 29.916 9.265 1.00 13.43 C ATOM 1261 O GLY A 135 20.903 30.424 9.208 1.00 11.78 O ATOM 1262 H GLY A 135 20.686 29.589 11.647 1.00 0.00 H ATOM 1263 N TYR A 136 22.904 29.993 8.266 1.00 9.54 N ATOM 1264 CA TYR A 136 22.574 30.566 6.970 1.00 9.82 C ATOM 1265 C TYR A 136 23.366 29.744 5.990 1.00 12.20 C ATOM 1266 O TYR A 136 24.574 29.631 6.168 1.00 10.64 O ATOM 1267 CB TYR A 136 23.006 32.062 6.882 1.00 11.92 C ATOM 1268 CG TYR A 136 23.206 32.523 5.447 1.00 16.85 C ATOM 1269 CD1 TYR A 136 22.126 32.891 4.661 1.00 17.87 C ATOM 1270 CD2 TYR A 136 24.473 32.548 4.866 1.00 19.77 C ATOM 1271 CE1 TYR A 136 22.297 33.279 3.334 1.00 18.14 C ATOM 1272 CE2 TYR A 136 24.656 32.934 3.543 1.00 21.28 C ATOM 1273 CZ TYR A 136 23.563 33.315 2.786 1.00 26.80 C ATOM 1274 OH TYR A 136 23.728 33.707 1.481 1.00 28.65 O ATOM 1275 HH TYR A 136 22.848 33.943 1.095 1.00 0.00 H ATOM 1276 H TYR A 136 23.866 29.629 8.420 1.00 0.00 H ATOM 1277 N PHE A 137 22.724 29.226 4.921 1.00 7.78 N ATOM 1278 CA PHE A 137 23.417 28.449 3.885 1.00 6.33 C ATOM 1279 C PHE A 137 23.056 28.957 2.497 1.00 10.48 C ATOM 1280 O PHE A 137 21.882 29.076 2.179 1.00 10.28 O ATOM 1281 CB PHE A 137 23.103 26.942 3.975 1.00 7.47 C ATOM 1282 CG PHE A 137 23.625 26.286 5.230 1.00 7.82 C ATOM 1283 CD1 PHE A 137 22.916 26.372 6.429 1.00 9.20 C ATOM 1284 CD2 PHE A 137 24.796 25.531 5.208 1.00 8.11 C ATOM 1285 CE1 PHE A 137 23.397 25.755 7.597 1.00 10.16 C ATOM 1286 CE2 PHE A 137 25.274 24.921 6.383 1.00 10.12 C ATOM 1287 CZ PHE A 137 24.571 25.048 7.569 1.00 8.70 C ATOM 1288 H PHE A 137 21.700 29.383 4.828 1.00 0.00 H ATOM 1289 N LYS A 138 24.074 29.306 1.716 1.00 8.53 N ATOM 1290 CA LYS A 138 23.931 29.755 0.327 1.00 8.87 C ATOM 1291 C LYS A 138 24.221 28.583 -0.597 1.00 11.95 C ATOM 1292 O LYS A 138 25.361 28.115 -0.660 1.00 10.47 O ATOM 1293 CB LYS A 138 24.875 30.927 0.023 1.00 10.36 C ATOM 1294 CG LYS A 138 24.697 31.456 -1.413 1.00 13.96 C ATOM 1295 CD LYS A 138 25.755 32.451 -1.816 1.00 15.54 C ATOM 1296 CE LYS A 138 25.690 33.778 -1.088 1.00 25.31 C ATOM 1297 NZ LYS A 138 26.819 34.656 -1.485 1.00 32.83 N ATOM 1298 HZ1 LYS A 138 27.718 34.189 -1.251 1.00 0.00 H ATOM 1299 HZ2 LYS A 138 26.775 34.833 -2.509 1.00 0.00 H ATOM 1300 HZ3 LYS A 138 26.752 35.558 -0.973 1.00 0.00 H ATOM 1301 H LYS A 138 25.033 29.257 2.116 1.00 0.00 H ATOM 1302 N PHE A 139 23.194 28.129 -1.306 1.00 9.65 N ATOM 1303 CA PHE A 139 23.267 27.020 -2.253 1.00 9.36 C ATOM 1304 C PHE A 139 23.306 27.484 -3.704 1.00 11.90 C ATOM 1305 O PHE A 139 22.709 28.499 -4.064 1.00 12.22 O ATOM 1306 CB PHE A 139 22.024 26.125 -2.103 1.00 10.22 C ATOM 1307 CG PHE A 139 22.083 25.091 -1.017 1.00 10.70 C ATOM 1308 CD1 PHE A 139 21.887 25.447 0.313 1.00 11.51 C ATOM 1309 CD2 PHE A 139 22.263 23.745 -1.326 1.00 13.13 C ATOM 1310 CE1 PHE A 139 21.913 24.480 1.318 1.00 10.99 C ATOM 1311 CE2 PHE A 139 22.306 22.785 -0.312 1.00 12.94 C ATOM 1312 CZ PHE A 139 22.084 23.158 0.985 1.00 10.20 C ATOM 1313 H PHE A 139 22.274 28.596 -1.178 1.00 0.00 H ATOM 1314 N GLN A 140 23.957 26.681 -4.549 1.00 10.90 N ATOM 1315 CA GLN A 140 23.930 26.841 -5.996 1.00 11.90 C ATOM 1316 C GLN A 140 23.386 25.488 -6.480 1.00 18.40 C ATOM 1317 O GLN A 140 24.062 24.472 -6.387 1.00 17.81 O ATOM 1318 CB GLN A 140 25.304 27.193 -6.608 1.00 13.64 C ATOM 1319 CG GLN A 140 25.188 27.428 -8.120 1.00 22.03 C ATOM 1320 CD GLN A 140 26.331 28.249 -8.677 1.00 42.63 C ATOM 1321 OE1 GLN A 140 27.499 27.882 -8.579 1.00 35.45 O ATOM 1322 NE2 GLN A 140 26.020 29.366 -9.310 1.00 45.45 N ATOM 1323 HE22 GLN A 140 25.026 29.662 -9.384 1.00 0.00 H ATOM 1324 HE21 GLN A 140 26.769 29.949 -9.734 1.00 0.00 H ATOM 1325 H GLN A 140 24.514 25.898 -4.152 1.00 0.00 H ATOM 1326 N GLY A 141 22.112 25.475 -6.833 1.00 13.84 N ATOM 1327 CA GLY A 141 21.424 24.243 -7.150 1.00 14.05 C ATOM 1328 C GLY A 141 21.082 23.550 -5.843 1.00 17.71 C ATOM 1329 O GLY A 141 21.102 24.174 -4.772 1.00 18.06 O ATOM 1330 H GLY A 141 21.591 26.374 -6.884 1.00 0.00 H ATOM 1331 N GLN A 142 20.867 22.251 -5.893 1.00 13.94 N ATOM 1332 CA GLN A 142 20.482 21.533 -4.678 1.00 15.14 C ATOM 1333 C GLN A 142 21.608 20.762 -3.997 1.00 15.84 C ATOM 1334 O GLN A 142 21.403 20.207 -2.920 1.00 14.34 O ATOM 1335 CB GLN A 142 19.305 20.607 -5.000 1.00 17.83 C ATOM 1336 CG GLN A 142 18.042 21.408 -5.373 1.00 24.92 C ATOM 1337 CD GLN A 142 16.750 20.633 -5.320 1.00 50.59 C ATOM 1338 OE1 GLN A 142 16.700 19.462 -4.938 1.00 43.41 O ATOM 1339 NE2 GLN A 142 15.657 21.294 -5.678 1.00 51.66 N ATOM 1340 HE22 GLN A 142 15.727 22.282 -5.997 1.00 0.00 H ATOM 1341 HE21 GLN A 142 14.730 20.825 -5.640 1.00 0.00 H ATOM 1342 H GLN A 142 20.971 21.739 -6.792 1.00 0.00 H ATOM 1343 N ASP A 143 22.801 20.761 -4.581 1.00 11.60 N ATOM 1344 CA ASP A 143 23.863 19.918 -4.044 1.00 12.74 C ATOM 1345 C ASP A 143 25.094 20.632 -3.595 1.00 15.59 C ATOM 1346 O ASP A 143 25.954 19.991 -2.999 1.00 15.64 O ATOM 1347 CB ASP A 143 24.263 18.868 -5.105 1.00 16.09 C ATOM 1348 CG ASP A 143 23.126 18.017 -5.624 1.00 22.58 C ATOM 1349 OD1 ASP A 143 22.229 17.672 -4.827 1.00 20.11 O ATOM 1350 OD2 ASP A 143 23.125 17.712 -6.828 1.00 27.25 O ATOM 1351 H ASP A 143 22.976 21.357 -5.415 1.00 0.00 H ATOM 1352 N THR A 144 25.220 21.932 -3.917 1.00 10.30 N ATOM 1353 CA THR A 144 26.447 22.651 -3.610 1.00 9.91 C ATOM 1354 C THR A 144 26.232 23.783 -2.648 1.00 13.67 C ATOM 1355 O THR A 144 25.407 24.656 -2.916 1.00 12.88 O ATOM 1356 CB THR A 144 27.063 23.167 -4.924 1.00 15.28 C ATOM 1357 OG1 THR A 144 27.133 22.101 -5.879 1.00 14.00 O ATOM 1358 CG2 THR A 144 28.433 23.823 -4.727 1.00 11.75 C ATOM 1359 HG1 THR A 144 27.696 21.372 -5.517 1.00 0.00 H ATOM 1360 H THR A 144 24.436 22.426 -4.388 1.00 0.00 H ATOM 1361 N ILE A 145 27.009 23.790 -1.554 1.00 10.07 N ATOM 1362 CA ILE A 145 26.978 24.889 -0.589 1.00 9.09 C ATOM 1363 C ILE A 145 28.117 25.807 -0.977 1.00 12.24 C ATOM 1364 O ILE A 145 29.284 25.419 -0.865 1.00 12.28 O ATOM 1365 CB ILE A 145 27.133 24.390 0.880 1.00 10.39 C ATOM 1366 CG1 ILE A 145 25.921 23.529 1.295 1.00 10.17 C ATOM 1367 CG2 ILE A 145 27.297 25.596 1.849 1.00 9.78 C ATOM 1368 CD1 ILE A 145 26.155 22.751 2.609 1.00 15.16 C ATOM 1369 H ILE A 145 27.652 22.990 -1.387 1.00 0.00 H ATOM 1370 N LEU A 146 27.787 27.026 -1.446 1.00 10.05 N ATOM 1371 CA LEU A 146 28.795 28.029 -1.804 1.00 10.92 C ATOM 1372 C LEU A 146 29.468 28.613 -0.567 1.00 13.19 C ATOM 1373 O LEU A 146 30.680 28.804 -0.570 1.00 12.99 O ATOM 1374 CB LEU A 146 28.188 29.155 -2.658 1.00 11.40 C ATOM 1375 CG LEU A 146 27.568 28.741 -3.979 1.00 15.86 C ATOM 1376 CD1 LEU A 146 26.942 29.946 -4.656 1.00 15.86 C ATOM 1377 CD2 LEU A 146 28.620 28.137 -4.925 1.00 20.40 C ATOM 1378 H LEU A 146 26.781 27.264 -1.558 1.00 0.00 H ATOM 1379 N ASP A 147 28.685 28.910 0.478 1.00 10.32 N ATOM 1380 CA ASP A 147 29.170 29.444 1.761 1.00 10.15 C ATOM 1381 C ASP A 147 28.089 29.337 2.792 1.00 9.91 C ATOM 1382 O ASP A 147 26.945 29.091 2.456 1.00 8.55 O ATOM 1383 CB ASP A 147 29.667 30.896 1.666 1.00 13.24 C ATOM 1384 CG ASP A 147 28.674 31.906 1.161 1.00 27.79 C ATOM 1385 OD1 ASP A 147 27.944 32.483 1.996 1.00 31.26 O ATOM 1386 OD2 ASP A 147 28.718 32.223 -0.050 1.00 26.91 O ATOM 1387 H ASP A 147 27.662 28.752 0.376 1.00 0.00 H ATOM 1388 N TYR A 148 28.451 29.503 4.051 1.00 8.31 N ATOM 1389 CA TYR A 148 27.489 29.368 5.141 1.00 7.22 C ATOM 1390 C TYR A 148 28.041 30.017 6.363 1.00 11.81 C ATOM 1391 O TYR A 148 29.240 30.293 6.426 1.00 12.32 O ATOM 1392 CB TYR A 148 27.245 27.844 5.421 1.00 7.96 C ATOM 1393 CG TYR A 148 28.329 27.168 6.234 1.00 9.21 C ATOM 1394 CD1 TYR A 148 29.561 26.856 5.674 1.00 11.68 C ATOM 1395 CD2 TYR A 148 28.119 26.845 7.575 1.00 10.49 C ATOM 1396 CE1 TYR A 148 30.599 26.335 6.451 1.00 14.69 C ATOM 1397 CE2 TYR A 148 29.129 26.277 8.346 1.00 12.32 C ATOM 1398 CZ TYR A 148 30.368 26.026 7.784 1.00 17.40 C ATOM 1399 OH TYR A 148 31.355 25.464 8.558 1.00 19.22 O ATOM 1400 HH TYR A 148 32.174 25.349 8.014 1.00 0.00 H ATOM 1401 H TYR A 148 29.441 29.734 4.270 1.00 0.00 H ATOM 1402 N THR A 149 27.170 30.219 7.345 1.00 9.24 N ATOM 1403 CA THR A 149 27.510 30.647 8.700 1.00 9.42 C ATOM 1404 C THR A 149 26.691 29.746 9.615 1.00 12.41 C ATOM 1405 O THR A 149 25.574 29.350 9.280 1.00 11.67 O ATOM 1406 CB THR A 149 27.237 32.139 8.967 1.00 15.06 C ATOM 1407 OG1 THR A 149 25.846 32.430 8.880 1.00 15.05 O ATOM 1408 CG2 THR A 149 28.017 33.055 8.074 1.00 14.36 C ATOM 1409 HG1 THR A 149 25.700 33.393 9.056 1.00 0.00 H ATOM 1410 H THR A 149 26.165 30.060 7.132 1.00 0.00 H ATOM 1411 N LEU A 150 27.245 29.407 10.760 1.00 9.76 N ATOM 1412 CA LEU A 150 26.550 28.566 11.739 1.00 9.88 C ATOM 1413 C LEU A 150 27.146 28.859 13.098 1.00 15.38 C ATOM 1414 O LEU A 150 28.360 28.735 13.286 1.00 15.18 O ATOM 1415 CB LEU A 150 26.679 27.082 11.388 1.00 9.73 C ATOM 1416 CG LEU A 150 25.895 26.064 12.246 1.00 13.66 C ATOM 1417 CD1 LEU A 150 24.359 26.292 12.183 1.00 11.62 C ATOM 1418 CD2 LEU A 150 26.208 24.640 11.793 1.00 16.91 C ATOM 1419 H LEU A 150 28.204 29.746 10.976 1.00 0.00 H ATOM 1420 N ARG A 151 26.294 29.323 14.011 1.00 13.10 N ATOM 1421 CA ARG A 151 26.668 29.744 15.353 1.00 14.42 C ATOM 1422 C ARG A 151 25.734 29.121 16.374 1.00 14.80 C ATOM 1423 O ARG A 151 24.513 29.065 16.149 1.00 12.67 O ATOM 1424 CB ARG A 151 26.552 31.294 15.398 1.00 18.98 C ATOM 1425 CG ARG A 151 26.698 31.976 16.746 1.00 36.99 C ATOM 1426 CD ARG A 151 26.726 33.494 16.613 1.00 36.23 C ATOM 1427 NE ARG A 151 25.405 34.084 16.362 1.00 33.93 N ATOM 1428 CZ ARG A 151 24.579 34.513 17.311 1.00 46.75 C ATOM 1429 NH1 ARG A 151 24.899 34.376 18.591 1.00 43.06 N ATOM 1430 NH2 ARG A 151 23.412 35.060 16.986 1.00 35.79 N ATOM 1431 HE ARG A 151 25.094 34.172 15.373 1.00 0.00 H ATOM 1432 HH12 ARG A 151 24.248 34.714 19.329 1.00 0.00 H ATOM 1433 HH11 ARG A 151 25.801 33.931 18.857 1.00 0.00 H ATOM 1434 HH22 ARG A 151 22.769 35.394 17.732 1.00 0.00 H ATOM 1435 HH21 ARG A 151 23.142 35.154 15.986 1.00 0.00 H ATOM 1436 H ARG A 151 25.291 29.389 13.746 1.00 0.00 H ATOM 1437 N GLU A 152 26.295 28.730 17.537 1.00 11.42 N ATOM 1438 CA GLU A 152 25.485 28.233 18.654 1.00 10.54 C ATOM 1439 C GLU A 152 24.908 29.426 19.360 1.00 13.46 C ATOM 1440 O GLU A 152 25.547 30.477 19.431 1.00 13.31 O ATOM 1441 CB GLU A 152 26.325 27.396 19.619 1.00 12.33 C ATOM 1442 CG GLU A 152 26.679 26.069 19.012 1.00 19.96 C ATOM 1443 CD GLU A 152 27.608 25.248 19.870 1.00 33.38 C ATOM 1444 OE1 GLU A 152 27.461 25.269 21.114 1.00 22.24 O ATOM 1445 OE2 GLU A 152 28.496 24.590 19.291 1.00 26.10 O ATOM 1446 H GLU A 152 27.328 28.782 17.644 1.00 0.00 H ATOM 1447 N VAL A 153 23.682 29.290 19.845 1.00 10.49 N ATOM 1448 CA VAL A 153 22.982 30.368 20.540 1.00 10.53 C ATOM 1449 C VAL A 153 22.347 29.849 21.852 1.00 14.85 C ATOM 1450 O VAL A 153 22.082 28.644 21.993 1.00 12.51 O ATOM 1451 CB VAL A 153 21.908 31.025 19.605 1.00 13.26 C ATOM 1452 CG1 VAL A 153 22.554 31.643 18.352 1.00 13.73 C ATOM 1453 CG2 VAL A 153 20.805 30.032 19.219 1.00 12.27 C ATOM 1454 H VAL A 153 23.198 28.377 19.726 1.00 0.00 H ATOM 1455 N ASP A 154 22.043 30.770 22.774 1.00 12.81 N ATOM 1456 CA ASP A 154 21.328 30.419 24.007 1.00 13.42 C ATOM 1457 C ASP A 154 19.826 30.477 23.756 1.00 17.96 C ATOM 1458 O ASP A 154 19.075 29.699 24.346 1.00 17.70 O ATOM 1459 CB ASP A 154 21.731 31.339 25.161 1.00 15.07 C ATOM 1460 CG ASP A 154 23.142 31.045 25.634 1.00 19.98 C ATOM 1461 OD1 ASP A 154 23.521 29.843 25.675 1.00 21.13 O ATOM 1462 OD2 ASP A 154 23.870 32.000 25.931 1.00 23.09 O ATOM 1463 H ASP A 154 22.320 31.759 22.613 1.00 0.00 H ATOM 1464 N THR A 155 19.391 31.418 22.909 1.00 14.81 N ATOM 1465 CA THR A 155 17.983 31.541 22.523 1.00 15.60 C ATOM 1466 C THR A 155 17.811 31.555 21.028 1.00 16.66 C ATOM 1467 O THR A 155 18.468 32.305 20.299 1.00 17.53 O ATOM 1468 CB THR A 155 17.260 32.702 23.194 1.00 30.24 C ATOM 1469 OG1 THR A 155 18.158 33.776 23.344 1.00 28.40 O ATOM 1470 CG2 THR A 155 16.706 32.312 24.527 1.00 33.02 C ATOM 1471 HG1 THR A 155 17.694 34.534 23.780 1.00 0.00 H ATOM 1472 H THR A 155 20.079 32.088 22.510 1.00 0.00 H ATOM 1473 N VAL A 156 16.896 30.723 20.567 1.00 12.69 N ATOM 1474 CA VAL A 156 16.620 30.639 19.145 1.00 9.74 C ATOM 1475 C VAL A 156 15.826 31.891 18.720 1.00 17.63 C ATOM 1476 O VAL A 156 14.819 32.213 19.390 1.00 12.82 O ATOM 1477 CB VAL A 156 15.878 29.338 18.785 1.00 13.98 C ATOM 1478 CG1 VAL A 156 15.721 29.237 17.280 1.00 14.51 C ATOM 1479 CG2 VAL A 156 16.608 28.119 19.338 1.00 13.66 C ATOM 1480 OXT VAL A 156 16.231 32.546 17.736 1.00 22.82 O ATOM 1481 H VAL A 156 16.367 30.121 21.230 1.00 0.00 H TER 1482 VAL A 156 HETATM 1483 O HOH 1 11.578 38.300 9.855 1.00 37.61 O HETATM 1484 O HOH 2 27.094 32.069 -7.606 1.00 52.27 O HETATM 1485 O HOH 3 28.205 19.515 0.609 1.00 54.89 O HETATM 1486 O HOH 4 24.047 15.860 4.810 1.00 14.95 O HETATM 1487 O HOH 5 19.670 2.592 11.928 1.00 16.99 O HETATM 1488 O HOH 6 22.787 36.026 20.181 1.00 30.35 O HETATM 1489 O HOH 7 16.786 31.970 -2.261 1.00 10.97 O HETATM 1490 O HOH 8 23.041 26.124 22.636 1.00 17.15 O HETATM 1491 O HOH 9 17.754 16.415 4.544 1.00 12.80 O HETATM 1492 O HOH 10 9.972 1.115 16.781 1.00 20.17 O HETATM 1493 O HOH 11 25.338 8.501 4.443 1.00 28.44 O HETATM 1494 O HOH 12 31.744 30.547 5.470 1.00 27.08 O HETATM 1495 O HOH 13 29.258 28.664 17.792 1.00 19.08 O HETATM 1496 O HOH 14 -1.250 22.645 14.804 1.00 18.79 O HETATM 1497 O HOH 15 11.645 13.753 12.467 1.00 15.27 O HETATM 1498 O HOH 16 9.337 2.390 5.665 1.00 28.62 O HETATM 1499 O HOH 17 5.137 29.865 17.493 1.00 18.91 O HETATM 1500 O HOH 18 24.394 21.867 -6.928 1.00 17.96 O HETATM 1501 O HOH 19 5.092 29.938 4.784 1.00 21.21 O HETATM 1502 O HOH 20 20.451 27.962 -7.377 1.00 17.71 O HETATM 1503 O HOH 21 14.211 18.958 4.842 1.00 21.75 O HETATM 1504 O HOH 22 31.727 30.000 -2.886 1.00 24.50 O HETATM 1505 O HOH 23 11.532 1.897 4.266 1.00 27.14 O HETATM 1506 O HOH 24 15.291 29.318 22.539 1.00 21.50 O HETATM 1507 O HOH 25 19.590 11.449 -1.907 1.00 25.18 O HETATM 1508 O HOH 26 2.071 3.147 7.182 1.00 31.68 O HETATM 1509 O HOH 27 28.886 22.467 20.811 1.00 21.57 O HETATM 1510 O HOH 28 11.777 2.509 10.917 1.00 17.95 O HETATM 1511 O HOH 29 27.077 15.372 17.652 1.00 19.75 O HETATM 1512 O HOH 30 6.121 33.431 5.275 1.00 15.55 O HETATM 1513 O HOH 31 -1.378 11.715 1.262 1.00 37.31 O HETATM 1514 O HOH 32 12.087 32.035 -5.094 1.00 22.19 O HETATM 1515 O HOH 33 25.732 26.199 22.943 1.00 26.62 O HETATM 1516 O HOH 34 1.723 24.447 4.604 1.00 25.69 O HETATM 1517 O HOH 35 2.948 9.969 5.823 1.00 26.06 O HETATM 1518 O HOH 36 18.391 13.637 -4.750 1.00 55.18 O HETATM 1519 O HOH 37 10.428 29.874 -0.246 1.00 21.43 O HETATM 1520 O HOH 38 4.627 24.695 9.062 1.00 19.69 O HETATM 1521 O HOH 39 10.039 16.732 24.375 1.00 32.45 O HETATM 1522 O HOH 40 -2.544 24.708 12.798 1.00 26.38 O HETATM 1523 O HOH 41 1.734 16.447 15.368 1.00 16.95 O HETATM 1524 O HOH 42 30.180 33.108 4.976 1.00 47.47 O HETATM 1525 O HOH 43 21.163 33.707 22.576 1.00 21.93 O HETATM 1526 O HOH 44 26.690 13.223 19.208 1.00 27.52 O HETATM 1527 O HOH 45 28.687 19.910 -5.531 1.00 32.77 O HETATM 1528 O HOH 46 19.847 5.941 2.693 1.00 28.86 O HETATM 1529 O HOH 47 27.669 18.181 3.421 1.00 26.26 O HETATM 1530 O HOH 48 22.642 35.602 13.852 1.00 37.54 O HETATM 1531 O HOH 49 6.232 13.820 -1.519 1.00 25.81 O HETATM 1532 O HOH 50 -1.928 20.057 14.800 1.00 23.90 O HETATM 1533 O HOH 51 3.537 10.606 -5.885 1.00 31.80 O HETATM 1534 O HOH 52 15.833 5.804 21.687 1.00 29.80 O HETATM 1535 O HOH 53 11.555 25.772 23.931 1.00 31.52 O HETATM 1536 O HOH 54 -2.259 30.232 4.426 1.00 25.11 O HETATM 1537 O HOH 55 33.093 28.974 0.626 1.00 26.02 O HETATM 1538 O HOH 56 10.525 34.981 7.687 1.00 24.92 O HETATM 1539 O HOH 57 26.221 8.692 9.899 1.00 28.16 O HETATM 1540 O HOH 58 4.655 23.093 2.630 1.00 24.39 O HETATM 1541 O HOH 59 12.724 29.633 -1.712 1.00 22.35 O HETATM 1542 O HOH 60 1.850 4.666 -3.455 1.00 27.87 O HETATM 1543 O HOH 61 21.675 27.644 -9.804 1.00 23.37 O HETATM 1544 O HOH 62 8.344 3.068 10.896 1.00 32.97 O HETATM 1545 O HOH 63 25.954 29.641 -12.985 1.00 37.24 O HETATM 1546 O HOH 64 1.514 28.360 19.304 1.00 28.96 O HETATM 1547 O HOH 65 28.485 22.673 -8.383 1.00 34.28 O HETATM 1548 O HOH 66 4.610 32.484 15.238 1.00 28.29 O HETATM 1549 O HOH 67 0.401 10.614 -0.361 1.00 32.83 O HETATM 1550 O HOH 68 20.748 20.933 -8.478 1.00 26.56 O HETATM 1551 O HOH 69 29.560 26.170 13.689 1.00 38.02 O HETATM 1552 O HOH 70 34.062 32.665 12.585 1.00 27.06 O HETATM 1553 O HOH 71 9.436 25.373 -1.533 1.00 38.40 O HETATM 1554 O HOH 72 26.661 36.896 15.854 1.00 30.84 O HETATM 1555 O HOH 73 21.740 13.706 -1.085 1.00 43.24 O HETATM 1556 O HOH 74 24.141 5.210 17.559 1.00 35.49 O HETATM 1557 O HOH 75 24.897 35.123 8.322 1.00 33.09 O HETATM 1558 O HOH 76 20.347 4.346 5.150 1.00 38.86 O HETATM 1559 O HOH 77 23.825 33.508 22.005 1.00 30.13 O HETATM 1560 O HOH 78 25.684 17.348 -2.292 1.00 30.64 O HETATM 1561 O HOH 79 3.996 13.148 -6.571 1.00 36.58 O HETATM 1562 O HOH 80 28.242 15.217 10.361 1.00 30.19 O HETATM 1563 O HOH 81 13.496 31.266 21.549 1.00 32.08 O HETATM 1564 O HOH 82 8.260 22.704 1.405 1.00 48.27 O HETATM 1565 O HOH 83 22.679 25.401 25.326 1.00 26.53 O HETATM 1566 O HOH 84 16.982 17.562 -3.033 1.00 45.73 O HETATM 1567 O HOH 85 7.155 20.983 -2.700 1.00 39.74 O HETATM 1568 O HOH 86 6.226 19.344 -0.752 1.00 44.46 O HETATM 1569 O HOH 87 5.455 35.502 6.893 1.00 33.23 O HETATM 1570 O HOH 88 10.582 18.430 5.070 1.00 29.33 O HETATM 1571 O HOH 89 21.576 4.408 7.621 1.00 29.69 O HETATM 1572 O HOH 90 19.022 20.871 20.426 1.00 28.43 O HETATM 1573 O HOH 91 6.241 20.299 3.021 1.00 31.04 O HETATM 1574 O HOH 92 9.018 3.989 -2.181 1.00 28.43 O HETATM 1575 O HOH 93 29.453 29.862 -8.340 1.00 42.22 O HETATM 1576 O HOH 94 10.580 5.880 -1.140 1.00 24.43 O HETATM 1577 O HOH 95 19.921 32.631 10.687 1.00 36.08 O HETATM 1578 O HOH 96 30.383 18.810 7.694 1.00 36.54 O HETATM 1579 O HOH 97 1.354 6.187 20.847 1.00 38.79 O HETATM 1580 O HOH 98 24.483 15.394 1.064 1.00 29.16 O HETATM 1581 O HOH 99 13.207 35.656 13.020 1.00 38.25 O HETATM 1582 O HOH 100 7.148 9.382 23.387 1.00 44.36 O HETATM 1583 O HOH 101 0.231 16.820 24.736 1.00 35.95 O HETATM 1584 O HOH 102 5.731 22.795 23.568 1.00 33.87 O HETATM 1585 O HOH 103 21.950 5.039 19.005 1.00 33.44 O HETATM 1586 O HOH 104 16.192 12.576 23.037 1.00 38.85 O HETATM 1587 O HOH 105 11.888 9.681 23.956 1.00 40.53 O HETATM 1588 O HOH 106 6.562 5.809 17.659 1.00 34.19 O HETATM 1589 O HOH 107 21.237 5.003 -1.189 1.00 30.28 O HETATM 1590 O HOH 108 -0.955 5.374 14.959 1.00 42.38 O HETATM 1591 O HOH 109 3.344 8.271 23.646 1.00 32.72 O HETATM 1592 O HOH 110 17.900 23.394 26.885 1.00 40.81 O HETATM 1593 O HOH 111 17.451 2.123 10.207 1.00 39.33 O HETATM 1594 O HOH 112 21.401 10.128 23.686 1.00 35.96 O HETATM 1595 O HOH 113 0.433 12.247 3.232 1.00 37.94 O HETATM 1596 O HOH 114 15.756 34.634 16.042 1.00 31.83 O HETATM 1597 O HOH 115 20.072 2.430 8.741 1.00 38.58 O HETATM 1598 O HOH 116 17.990 26.373 -7.326 1.00 30.65 O HETATM 1599 O HOH 117 -0.738 13.808 24.846 1.00 36.01 O HETATM 1600 O HOH 118 22.344 5.743 21.608 1.00 47.03 O HETATM 1601 O HOH 119 8.872 16.439 27.453 1.00 45.37 O HETATM 1602 O HOH 120 24.398 23.513 26.230 1.00 40.66 O HETATM 1603 O HOH 121 14.343 26.806 22.824 1.00 36.88 O HETATM 1604 O HOH 122 -3.196 17.770 11.028 1.00 33.10 O HETATM 1605 O HOH 123 16.534 -0.553 10.128 1.00 30.30 O HETATM 1606 O HOH 124 19.161 13.264 22.512 1.00 40.12 O HETATM 1607 O HOH 125 -3.551 19.827 12.687 1.00 40.10 O HETATM 1608 O HOH 126 0.395 8.388 24.938 1.00 26.60 O HETATM 1609 O HOH 127 10.118 36.461 -0.770 1.00 51.33 O HETATM 1610 O HOH 128 2.535 29.313 -2.162 1.00 55.00 O HETATM 1611 O HOH 129 22.384 33.769 10.956 1.00 42.13 O HETATM 1612 O HOH 130 16.704 2.364 14.095 1.00 35.14 O HETATM 1613 O HOH 131 12.498 6.857 -2.823 1.00 36.19 O HETATM 1614 O HOH 132 27.823 17.612 -4.368 1.00 37.66 O HETATM 1615 O HOH 133 12.189 31.714 17.936 1.00 34.38 O HETATM 1616 O HOH 134 -0.046 7.547 13.604 1.00 44.12 O HETATM 1617 O HOH 135 23.753 11.699 20.963 1.00 45.82 O HETATM 1618 O HOH 136 3.700 10.716 25.340 1.00 45.17 O HETATM 1619 O HOH 137 15.297 24.365 -5.020 1.00 44.31 O HETATM 1620 O HOH 138 28.642 29.302 -11.320 1.00 56.38 O HETATM 1621 O HOH 139 18.010 21.942 23.318 1.00 32.25 O HETATM 1622 O HOH 140 17.544 35.819 14.412 1.00 43.54 O HETATM 1623 O HOH 141 4.682 1.072 6.910 1.00 38.48 O HETATM 1624 O HOH 142 -0.133 21.468 4.191 1.00 39.77 O HETATM 1625 O HOH 143 26.209 13.938 13.211 1.00 31.17 O HETATM 1626 O HOH 144 -3.642 19.456 8.516 1.00 37.33 O HETATM 1627 O HOH 145 3.381 1.017 4.503 1.00 42.33 O HETATM 1628 O HOH 146 25.246 36.150 10.830 1.00 45.77 O HETATM 1629 O HOH 147 11.911 33.210 22.510 1.00 40.00 O HETATM 1630 O HOH 148 8.460 29.233 17.459 1.00 34.35 O HETATM 1631 O HOH 149 4.928 18.033 -5.685 1.00 35.50 O HETATM 1632 O HOH 150 12.960 5.778 22.442 1.00 47.78 O HETATM 1633 O HOH 151 13.152 17.333 23.100 1.00 34.30 O HETATM 1634 O HOH 152 27.892 14.264 15.330 1.00 29.96 O HETATM 1635 O HOH 153 26.351 15.919 -6.073 1.00 43.95 O HETATM 1636 O HOH 154 14.671 1.840 15.790 1.00 47.67 O HETATM 1637 O HOH 155 3.054 18.660 3.615 1.00 42.13 O HETATM 1638 O HOH 156 25.984 11.099 13.196 1.00 38.26 O HETATM 1639 O HOH 157 -3.167 13.569 8.174 1.00 51.51 O HETATM 1640 O HOH 158 13.791 41.657 3.757 1.00 50.02 O HETATM 1641 N3 UNN A 159 15.879 21.655 4.783 1.00 -0.24 N HETATM 1642 C2 UNN A 159 17.184 21.342 4.634 1.00 0.17 C HETATM 1643 N2 UNN A 159 17.691 20.423 5.454 1.00 -0.31 N HETATM 1644 H1 UNN A 159 17.094 19.987 6.171 1.00 0.18 H HETATM 1645 H2 UNN A 159 18.680 20.148 5.371 1.00 0.18 H HETATM 1646 N1 UNN A 159 18.016 21.876 3.716 1.00 -0.27 N HETATM 1647 C6 UNN A 159 17.503 22.802 2.892 1.00 0.02 C HETATM 1648 C7 UNN A 159 18.435 23.388 1.877 1.00 -0.02 C HETATM 1649 H3 UNN A 159 17.896 24.129 1.268 1.00 0.04 H HETATM 1650 H4 UNN A 159 18.818 22.588 1.226 1.00 0.04 H HETATM 1651 H5 UNN A 159 19.276 23.878 2.390 1.00 0.04 H HETATM 1652 C5 UNN A 159 16.180 23.195 2.981 1.00 0.00 C HETATM 1653 C4 UNN A 159 15.414 22.583 3.957 1.00 0.16 C HETATM 1654 O3' UNN A 159 14.120 22.993 4.021 1.00 -0.30 O HETATM 1655 C3' UNN A 159 13.268 22.399 5.010 1.00 0.08 C HETATM 1656 C2' UNN A 159 11.963 23.158 4.978 1.00 -0.00 C HETATM 1657 C1' UNN A 159 10.880 22.354 5.585 1.00 0.05 C HETATM 1658 O1' UNN A 159 10.320 21.622 4.526 1.00 -0.39 O HETATM 1659 H7 UNN A 159 9.612 21.081 4.856 1.00 0.21 H HETATM 1660 H8 UNN A 159 11.287 21.675 6.349 1.00 0.06 H HETATM 1661 H9 UNN A 159 10.124 23.009 6.042 1.00 0.06 H HETATM 1662 H10 UNN A 159 12.076 24.096 5.541 1.00 0.03 H HETATM 1663 H11 UNN A 159 11.703 23.386 3.934 1.00 0.03 H HETATM 1664 H12 UNN A 159 13.095 21.339 4.773 1.00 0.06 H HETATM 1665 H13 UNN A 159 13.729 22.481 6.005 1.00 0.06 H HETATM 1666 H6 UNN A 159 15.764 23.945 2.319 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 1641 1642 1653 CONECT 1642 1641 1643 1646 CONECT 1643 1642 1644 1645 CONECT 1644 1643 CONECT 1645 1643 CONECT 1646 1642 1647 CONECT 1647 1646 1648 1652 CONECT 1648 1647 1649 1650 1651 CONECT 1649 1648 CONECT 1650 1648 CONECT 1651 1648 CONECT 1652 1647 1653 1666 CONECT 1653 1641 1652 1654 CONECT 1654 1653 1655 CONECT 1655 1654 1656 1664 1665 CONECT 1656 1655 1657 1662 1663 CONECT 1657 1656 1658 1660 1661 CONECT 1658 1657 1659 CONECT 1659 1658 CONECT 1660 1657 CONECT 1661 1657 CONECT 1662 1656 CONECT 1663 1656 CONECT 1664 1655 CONECT 1665 1655 CONECT 1666 1652 MASTER 0 0 0 0 0 0 0 0 1665 1 30 12 END
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Related entries of code: 5fsn
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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158aa, >5ANW_1|Chain... at 100%
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156aa, >5FSL_1|Chain... at 100%
5fsm
RCSB PDB
PDBbind
156aa, >5FSM_1|Chain... at 100%
5fso
RCSB PDB
PDBbind
156aa, >5FSO_1|Chain... at 100%
5ngr
RCSB PDB
PDBbind
159aa, >5NGR_1|Chains... at 98%
5ngs
RCSB PDB
PDBbind
159aa, >5NGS_1|Chains... at 98%
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159aa, >5NGT_1|Chain... at 98%
5nhy
RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
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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
5fsn
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Nudix pyrophosphatase MTH1
Ligand Name
6Q3
EC.Number
E.C.-.-.-.-
Resolution
1.69(Å)
Affinity (Kd/Ki/IC50)
Kd=1.7uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2016) Plos One Vol. 11: pp. 51154-
Ligand Properties
Formula
C
8
H
1
3
N
3
O
2
Molecular Weight
183.208
Exact Mass
183.101
No. of atoms
26
No. of bonds
26
Polar Surface Area
81.26
LOGP Value
0.23 (
Computed with XLOGP3
)
0.71 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 2
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 1
Canonical SMILES
OCCCOc1cc(C)nc(n1)N
InChI String
InChI=1S/C8H13N3O2/c1-6-5-7(11-8(9)10-6)13-4-2-3-12/h5,12H,2-4H2,1H3,(H2,9,10,11)
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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