Browse entries in the PDBbind-CN Database
HEADER 6R1A_COMPLEX COMPND 6R1A_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 112 MET VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG SEQRES 2 A 112 GLN CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU SEQRES 3 A 112 PRO MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO SEQRES 4 A 112 ALA GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA SEQRES 5 A 112 GLN GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SEQRES 6 A 112 SER TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS SEQRES 7 A 112 GLY GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY SEQRES 8 A 112 GLY SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP SEQRES 9 A 112 ARG LEU ALA GLU GLY PRO ALA ASP SEQRES 1 B 111 MET VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG SEQRES 2 B 111 GLN CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU SEQRES 3 B 111 PRO MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO SEQRES 4 B 111 ALA GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA SEQRES 5 B 111 GLN GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SEQRES 6 B 111 SER TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS SEQRES 7 B 111 GLY GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY SEQRES 8 B 111 GLY SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP SEQRES 9 B 111 ARG LEU ALA GLU GLY PRO ALA SEQRES 1 C 108 ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY SEQRES 2 C 108 GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY SEQRES 3 C 108 GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET SEQRES 4 C 108 ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU SEQRES 5 C 108 ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE SEQRES 6 C 108 LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS SEQRES 7 C 108 GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN SEQRES 8 C 108 PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA SEQRES 9 C 108 GLU GLY PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JP A 8 36 ATOM 1 N MET A 13 5.559 8.873 21.803 1.00 51.37 N ATOM 2 CA MET A 13 6.037 7.463 21.947 1.00 50.95 C ATOM 3 C MET A 13 7.054 7.319 23.080 1.00 49.66 C ATOM 4 O MET A 13 6.924 6.408 23.884 1.00 49.82 O ATOM 5 CB MET A 13 6.615 6.937 20.629 1.00 50.58 C ATOM 6 HN3 MET A 13 6.368 9.493 21.596 1.00 0.00 H ATOM 7 HN2 MET A 13 5.106 9.176 22.689 1.00 0.00 H ATOM 8 HN1 MET A 13 4.872 8.927 21.025 1.00 0.00 H ATOM 9 N VAL A 14 8.029 8.229 23.150 1.00 48.12 N ATOM 10 CA VAL A 14 9.003 8.256 24.244 1.00 45.94 C ATOM 11 C VAL A 14 8.999 9.586 24.976 1.00 44.30 C ATOM 12 O VAL A 14 8.689 10.637 24.405 1.00 45.16 O ATOM 13 CB VAL A 14 10.456 7.994 23.763 1.00 46.74 C ATOM 14 CG1 VAL A 14 10.579 6.562 23.240 1.00 47.49 C ATOM 15 CG2 VAL A 14 10.904 8.991 22.707 1.00 45.03 C ATOM 16 H VAL A 14 8.099 8.946 22.400 1.00 0.00 H ATOM 17 N LEU A 15 9.494 9.563 26.202 1.00 40.37 N ATOM 18 CA LEU A 15 9.661 10.772 27.037 1.00 37.58 C ATOM 19 C LEU A 15 11.049 11.372 26.850 1.00 34.96 C ATOM 20 O LEU A 15 12.024 10.607 26.781 1.00 33.36 O ATOM 21 CB LEU A 15 9.508 10.374 28.490 1.00 38.36 C ATOM 22 CG LEU A 15 8.184 9.751 28.906 1.00 39.67 C ATOM 23 CD1 LEU A 15 8.248 9.333 30.371 1.00 40.57 C ATOM 24 CD2 LEU A 15 7.062 10.740 28.646 1.00 40.20 C ATOM 25 H LEU A 15 9.781 8.646 26.600 1.00 0.00 H ATOM 26 N ALA A 16 11.128 12.702 26.739 1.00 32.23 N ATOM 27 CA ALA A 16 12.405 13.406 26.535 1.00 30.90 C ATOM 28 C ALA A 16 13.345 12.796 25.483 1.00 30.15 C ATOM 29 O ALA A 16 14.474 12.409 25.820 1.00 28.31 O ATOM 30 CB ALA A 16 13.132 13.573 27.872 1.00 31.65 C ATOM 31 H ALA A 16 10.253 13.261 26.799 1.00 0.00 H ATOM 32 N PRO A 17 12.896 12.722 24.217 1.00 29.30 N ATOM 33 CA PRO A 17 13.735 12.126 23.179 1.00 28.74 C ATOM 34 C PRO A 17 14.943 12.991 22.873 1.00 27.28 C ATOM 35 O PRO A 17 14.817 14.203 22.932 1.00 26.89 O ATOM 36 CB PRO A 17 12.813 12.078 21.957 1.00 28.74 C ATOM 37 CG PRO A 17 11.808 13.138 22.211 1.00 29.37 C ATOM 38 CD PRO A 17 11.582 13.133 23.677 1.00 29.88 C ATOM 39 N GLY A 18 16.100 12.382 22.645 1.00 27.47 N ATOM 40 CA GLY A 18 17.310 13.134 22.317 1.00 28.00 C ATOM 41 C GLY A 18 17.612 13.112 20.845 1.00 28.77 C ATOM 42 O GLY A 18 18.619 13.656 20.425 1.00 29.69 O ATOM 43 H GLY A 18 16.147 11.345 22.701 1.00 0.00 H ATOM 44 N ALA A 19 16.777 12.453 20.057 1.00 29.25 N ATOM 45 CA ALA A 19 17.065 12.268 18.598 1.00 30.61 C ATOM 46 C ALA A 19 15.841 12.710 17.837 1.00 30.36 C ATOM 47 O ALA A 19 15.133 11.936 17.154 1.00 35.83 O ATOM 48 CB ALA A 19 17.438 10.832 18.240 1.00 31.68 C ATOM 49 H ALA A 19 15.904 12.056 20.458 1.00 0.00 H ATOM 50 N SER A 20 15.539 13.978 18.009 1.00 28.62 N ATOM 51 CA SER A 20 14.282 14.526 17.512 1.00 27.68 C ATOM 52 C SER A 20 14.449 15.503 16.363 1.00 25.36 C ATOM 53 O SER A 20 13.688 15.452 15.388 1.00 25.14 O ATOM 54 CB SER A 20 13.524 15.187 18.657 1.00 29.45 C ATOM 55 OG SER A 20 12.278 15.599 18.173 1.00 31.46 O ATOM 56 HG SER A 20 12.409 16.244 17.433 1.00 0.00 H ATOM 57 H SER A 20 16.207 14.600 18.507 1.00 0.00 H ATOM 58 N ILE A 21 15.366 16.443 16.535 1.00 22.58 N ATOM 59 CA ILE A 21 15.490 17.611 15.670 1.00 21.38 C ATOM 60 C ILE A 21 16.887 17.606 15.078 1.00 19.06 C ATOM 61 O ILE A 21 17.838 17.204 15.737 1.00 18.44 O ATOM 62 CB ILE A 21 15.316 18.897 16.495 1.00 23.72 C ATOM 63 CG1 ILE A 21 13.901 18.996 17.049 1.00 26.13 C ATOM 64 CG2 ILE A 21 15.702 20.162 15.747 1.00 24.32 C ATOM 65 CD1 ILE A 21 12.831 18.986 16.057 1.00 27.95 C ATOM 66 H ILE A 21 16.032 16.343 17.328 1.00 0.00 H ATOM 67 N PHE A 22 16.986 18.023 13.815 1.00 16.72 N ATOM 68 CA PHE A 22 18.249 18.268 13.166 1.00 16.09 C ATOM 69 C PHE A 22 18.494 19.762 13.051 1.00 15.12 C ATOM 70 O PHE A 22 17.628 20.492 12.564 1.00 15.00 O ATOM 71 CB PHE A 22 18.268 17.631 11.775 1.00 16.25 C ATOM 72 CG PHE A 22 18.300 16.150 11.809 1.00 16.64 C ATOM 73 CD1 PHE A 22 19.477 15.454 11.937 1.00 17.87 C ATOM 74 CD2 PHE A 22 17.125 15.435 11.656 1.00 17.37 C ATOM 75 CE1 PHE A 22 19.486 14.054 11.953 1.00 18.46 C ATOM 76 CE2 PHE A 22 17.140 14.040 11.635 1.00 17.56 C ATOM 77 CZ PHE A 22 18.316 13.357 11.775 1.00 18.03 C ATOM 78 H PHE A 22 16.112 18.178 13.274 1.00 0.00 H ATOM 79 N ARG A 23 19.649 20.204 13.512 1.00 14.20 N ATOM 80 CA ARG A 23 20.076 21.574 13.410 1.00 14.32 C ATOM 81 C ARG A 23 21.314 21.676 12.541 1.00 13.80 C ATOM 82 O ARG A 23 22.028 20.704 12.363 1.00 13.59 O ATOM 83 CB ARG A 23 20.402 22.157 14.795 1.00 15.16 C ATOM 84 CG ARG A 23 19.260 22.183 15.748 1.00 15.74 C ATOM 85 CD ARG A 23 19.546 22.741 17.120 1.00 16.80 C ATOM 86 NE ARG A 23 18.299 22.855 17.848 1.00 17.78 N ATOM 87 CZ ARG A 23 17.367 23.780 17.622 1.00 18.83 C ATOM 88 NH1 ARG A 23 17.591 24.809 16.802 1.00 19.53 N ATOM 89 NH2 ARG A 23 16.221 23.713 18.279 1.00 20.37 N ATOM 90 HE ARG A 23 18.118 22.163 18.603 1.00 0.00 H ATOM 91 HH12 ARG A 23 16.847 25.518 16.642 1.00 0.00 H ATOM 92 HH11 ARG A 23 18.509 24.902 16.323 1.00 0.00 H ATOM 93 HH22 ARG A 23 15.484 24.428 18.113 1.00 0.00 H ATOM 94 HH21 ARG A 23 16.057 22.946 18.961 1.00 0.00 H ATOM 95 H ARG A 23 20.286 19.524 13.975 1.00 0.00 H ATOM 96 N CYS A 24 21.581 22.870 12.021 1.00 13.66 N ATOM 97 CA CYS A 24 22.830 23.109 11.339 1.00 13.61 C ATOM 98 C CYS A 24 23.999 22.881 12.310 1.00 14.45 C ATOM 99 O CYS A 24 23.993 23.428 13.406 1.00 14.51 O ATOM 100 CB CYS A 24 22.864 24.489 10.782 1.00 14.05 C ATOM 101 SG CYS A 24 24.472 24.960 10.063 1.00 14.19 S ATOM 102 H CYS A 24 20.884 23.638 12.106 1.00 0.00 H ATOM 103 N ARG A 25 24.952 22.061 11.902 1.00 14.22 N ATOM 104 CA ARG A 25 26.118 21.771 12.722 1.00 14.91 C ATOM 105 C ARG A 25 26.973 22.997 13.028 1.00 15.84 C ATOM 106 O ARG A 25 27.634 23.055 14.075 1.00 16.57 O ATOM 107 CB ARG A 25 26.957 20.705 12.029 1.00 15.38 C ATOM 108 CG ARG A 25 28.207 20.315 12.755 1.00 15.79 C ATOM 109 CD ARG A 25 28.905 19.217 12.015 1.00 15.69 C ATOM 110 NE ARG A 25 30.195 18.959 12.605 1.00 16.25 N ATOM 111 CZ ARG A 25 31.038 18.031 12.180 1.00 16.72 C ATOM 112 NH1 ARG A 25 30.729 17.215 11.171 1.00 16.13 N ATOM 113 NH2 ARG A 25 32.215 17.917 12.813 1.00 17.57 N ATOM 114 HE ARG A 25 30.482 19.540 13.418 1.00 0.00 H ATOM 115 HH12 ARG A 25 31.410 16.495 10.857 1.00 0.00 H ATOM 116 HH11 ARG A 25 29.807 17.299 10.698 1.00 0.00 H ATOM 117 HH22 ARG A 25 32.903 17.199 12.507 1.00 0.00 H ATOM 118 HH21 ARG A 25 32.440 18.546 13.610 1.00 0.00 H ATOM 119 H ARG A 25 24.866 21.611 10.969 1.00 0.00 H ATOM 120 N GLN A 26 26.987 23.954 12.121 1.00 16.34 N ATOM 121 CA GLN A 26 27.849 25.139 12.292 1.00 18.01 C ATOM 122 C GLN A 26 27.256 26.207 13.196 1.00 18.32 C ATOM 123 O GLN A 26 27.984 26.862 13.923 1.00 21.44 O ATOM 124 CB GLN A 26 28.231 25.718 10.932 1.00 19.86 C ATOM 125 CG GLN A 26 28.960 24.724 10.064 1.00 22.08 C ATOM 126 CD GLN A 26 30.171 24.054 10.717 1.00 25.05 C ATOM 127 OE1 GLN A 26 30.368 22.843 10.574 1.00 30.52 O ATOM 128 NE2 GLN A 26 30.955 24.811 11.422 1.00 26.06 N ATOM 129 HE22 GLN A 26 30.751 25.827 11.516 1.00 0.00 H ATOM 130 HE21 GLN A 26 31.787 24.402 11.893 1.00 0.00 H ATOM 131 H GLN A 26 26.385 23.873 11.277 1.00 0.00 H ATOM 132 N CYS A 27 25.953 26.376 13.207 1.00 16.34 N ATOM 133 CA CYS A 27 25.321 27.473 13.930 1.00 16.53 C ATOM 134 C CYS A 27 24.116 27.141 14.790 1.00 16.61 C ATOM 135 O CYS A 27 23.653 27.987 15.565 1.00 17.70 O ATOM 136 CB CYS A 27 25.001 28.602 12.961 1.00 15.82 C ATOM 137 SG CYS A 27 23.564 28.226 11.950 1.00 14.96 S ATOM 138 H CYS A 27 25.354 25.706 12.684 1.00 0.00 H ATOM 139 N GLY A 28 23.536 25.950 14.638 1.00 15.44 N ATOM 140 CA GLY A 28 22.353 25.605 15.402 1.00 15.32 C ATOM 141 C GLY A 28 20.985 25.943 14.861 1.00 15.38 C ATOM 142 O GLY A 28 19.968 25.623 15.481 1.00 15.97 O ATOM 143 H GLY A 28 23.935 25.263 13.966 1.00 0.00 H ATOM 144 N GLN A 29 20.925 26.552 13.677 1.00 15.25 N ATOM 145 CA GLN A 29 19.640 26.809 13.031 1.00 15.12 C ATOM 146 C GLN A 29 18.819 25.536 12.954 1.00 15.01 C ATOM 147 O GLN A 29 19.333 24.531 12.574 1.00 14.38 O ATOM 148 CB GLN A 29 19.882 27.323 11.607 1.00 15.08 C ATOM 149 CG GLN A 29 18.643 27.486 10.764 1.00 15.05 C ATOM 150 CD GLN A 29 18.055 28.863 10.817 1.00 15.46 C ATOM 151 OE1 GLN A 29 17.858 29.408 11.885 1.00 16.42 O ATOM 152 NE2 GLN A 29 17.799 29.445 9.652 1.00 15.07 N ATOM 153 HE22 GLN A 29 17.985 28.936 8.764 1.00 0.00 H ATOM 154 HE21 GLN A 29 17.412 30.410 9.627 1.00 0.00 H ATOM 155 H GLN A 29 21.804 26.848 13.207 1.00 0.00 H ATOM 156 N THR A 30 17.536 25.638 13.280 1.00 15.64 N ATOM 157 CA THR A 30 16.625 24.495 13.171 1.00 15.97 C ATOM 158 C THR A 30 16.418 24.154 11.706 1.00 15.71 C ATOM 159 O THR A 30 16.088 25.068 10.948 1.00 15.76 O ATOM 160 CB THR A 30 15.239 24.816 13.784 1.00 17.64 C ATOM 161 OG1 THR A 30 15.393 25.481 15.053 1.00 20.83 O ATOM 162 CG2 THR A 30 14.497 23.572 13.954 1.00 18.09 C ATOM 163 HG1 THR A 30 14.500 25.679 15.431 1.00 0.00 H ATOM 164 H THR A 30 17.169 26.550 13.620 1.00 0.00 H ATOM 165 N ILE A 31 16.638 22.907 11.310 1.00 14.85 N ATOM 166 CA ILE A 31 16.544 22.506 9.895 1.00 14.77 C ATOM 167 C ILE A 31 15.486 21.442 9.635 1.00 15.22 C ATOM 168 O ILE A 31 14.671 21.621 8.748 1.00 15.31 O ATOM 169 CB ILE A 31 17.890 22.002 9.324 1.00 14.30 C ATOM 170 CG1 ILE A 31 19.003 23.035 9.480 1.00 14.30 C ATOM 171 CG2 ILE A 31 17.758 21.613 7.853 1.00 14.33 C ATOM 172 CD1 ILE A 31 18.787 24.351 8.745 1.00 14.80 C ATOM 173 H ILE A 31 16.885 22.189 12.021 1.00 0.00 H ATOM 174 N SER A 32 15.498 20.313 10.328 1.00 15.44 N ATOM 175 CA SER A 32 14.483 19.286 10.057 1.00 16.33 C ATOM 176 C SER A 32 14.224 18.436 11.280 1.00 17.61 C ATOM 177 O SER A 32 14.670 18.798 12.378 1.00 16.40 O ATOM 178 CB SER A 32 14.852 18.460 8.816 1.00 16.11 C ATOM 179 OG SER A 32 13.737 17.747 8.341 1.00 17.20 O ATOM 180 HG SER A 32 13.018 18.383 8.099 1.00 0.00 H ATOM 181 H SER A 32 16.221 20.155 11.059 1.00 0.00 H ATOM 182 N ARG A 33 13.532 17.321 11.106 1.00 18.87 N ATOM 183 CA ARG A 33 13.180 16.455 12.216 1.00 20.35 C ATOM 184 C ARG A 33 13.294 15.015 11.762 1.00 19.78 C ATOM 185 O ARG A 33 13.024 14.696 10.558 1.00 18.01 O ATOM 186 CB ARG A 33 11.731 16.693 12.649 1.00 23.13 C ATOM 187 CG ARG A 33 11.264 18.132 12.806 1.00 25.39 C ATOM 188 CD ARG A 33 9.864 18.163 13.439 1.00 29.07 C ATOM 189 NE ARG A 33 9.806 17.721 14.819 1.00 32.90 N ATOM 190 CZ ARG A 33 9.813 18.530 15.879 1.00 36.10 C ATOM 191 NH1 ARG A 33 9.918 19.861 15.762 1.00 37.88 N ATOM 192 NH2 ARG A 33 9.761 18.005 17.085 1.00 37.62 N ATOM 193 HE ARG A 33 9.755 16.697 14.995 1.00 0.00 H ATOM 194 HH12 ARG A 33 9.920 20.459 16.613 1.00 0.00 H ATOM 195 HH11 ARG A 33 9.998 20.296 14.821 1.00 0.00 H ATOM 196 HH22 ARG A 33 9.766 18.623 17.922 1.00 0.00 H ATOM 197 HH21 ARG A 33 9.715 16.973 17.201 1.00 0.00 H ATOM 198 H ARG A 33 13.232 17.058 10.146 1.00 0.00 H ATOM 199 N ARG A 34 13.590 14.116 12.693 1.00 20.43 N ATOM 200 CA ARG A 34 13.664 12.711 12.348 1.00 22.24 C ATOM 201 C ARG A 34 12.312 12.163 11.809 1.00 21.72 C ATOM 202 O ARG A 34 12.284 11.312 10.904 1.00 21.24 O ATOM 203 CB ARG A 34 14.163 11.891 13.542 1.00 24.95 C ATOM 204 CG ARG A 34 14.188 10.392 13.342 1.00 27.84 C ATOM 205 CD ARG A 34 15.092 9.703 14.377 1.00 30.69 C ATOM 206 NE ARG A 34 16.522 9.878 14.082 1.00 32.46 N ATOM 207 CZ ARG A 34 17.259 9.155 13.226 1.00 33.41 C ATOM 208 NH1 ARG A 34 18.542 9.450 13.083 1.00 35.18 N ATOM 209 NH2 ARG A 34 16.757 8.140 12.522 1.00 35.64 N ATOM 210 HE ARG A 34 17.013 10.642 14.590 1.00 0.00 H ATOM 211 HH12 ARG A 34 19.131 8.902 12.424 1.00 0.00 H ATOM 212 HH11 ARG A 34 18.960 10.230 13.629 1.00 0.00 H ATOM 213 HH22 ARG A 34 17.367 7.607 11.870 1.00 0.00 H ATOM 214 HH21 ARG A 34 15.755 7.881 12.625 1.00 0.00 H ATOM 215 H ARG A 34 13.769 14.421 13.671 1.00 0.00 H ATOM 216 N ASP A 35 11.211 12.715 12.336 1.00 22.34 N ATOM 217 CA ASP A 35 9.882 12.327 11.895 1.00 23.15 C ATOM 218 C ASP A 35 9.659 12.590 10.415 1.00 21.81 C ATOM 219 O ASP A 35 8.757 11.994 9.824 1.00 21.24 O ATOM 220 CB ASP A 35 8.786 13.081 12.679 1.00 24.71 C ATOM 221 CG ASP A 35 8.596 12.562 14.087 1.00 27.78 C ATOM 222 OD1 ASP A 35 9.160 11.514 14.464 1.00 30.82 O ATOM 223 OD2 ASP A 35 7.868 13.231 14.837 1.00 30.93 O ATOM 224 H ASP A 35 11.310 13.438 13.077 1.00 0.00 H ATOM 225 N TRP A 36 10.444 13.506 9.827 1.00 19.59 N ATOM 226 CA TRP A 36 10.283 13.872 8.416 1.00 19.67 C ATOM 227 C TRP A 36 11.236 13.151 7.470 1.00 18.78 C ATOM 228 O TRP A 36 11.264 13.479 6.283 1.00 19.03 O ATOM 229 CB TRP A 36 10.427 15.381 8.255 1.00 19.73 C ATOM 230 CG TRP A 36 9.456 16.186 9.040 1.00 20.96 C ATOM 231 CD1 TRP A 36 8.242 15.782 9.557 1.00 21.82 C ATOM 232 CD2 TRP A 36 9.590 17.562 9.391 1.00 21.70 C ATOM 233 NE1 TRP A 36 7.629 16.823 10.205 1.00 22.88 N ATOM 234 CE2 TRP A 36 8.409 17.942 10.082 1.00 23.27 C ATOM 235 CE3 TRP A 36 10.564 18.537 9.130 1.00 22.47 C ATOM 236 CZ2 TRP A 36 8.201 19.244 10.538 1.00 23.83 C ATOM 237 CZ3 TRP A 36 10.378 19.808 9.581 1.00 23.05 C ATOM 238 CH2 TRP A 36 9.203 20.164 10.309 1.00 23.78 C ATOM 239 HE1 TRP A 36 6.720 16.771 10.708 1.00 0.00 H ATOM 240 H TRP A 36 11.187 13.969 10.388 1.00 0.00 H ATOM 241 N LEU A 37 11.978 12.171 7.953 1.00 19.28 N ATOM 242 CA LEU A 37 12.780 11.338 7.048 1.00 20.35 C ATOM 243 C LEU A 37 11.912 10.658 5.979 1.00 20.71 C ATOM 244 O LEU A 37 10.798 10.228 6.263 1.00 21.30 O ATOM 245 CB LEU A 37 13.579 10.315 7.835 1.00 21.17 C ATOM 246 CG LEU A 37 14.826 10.856 8.514 1.00 21.74 C ATOM 247 CD1 LEU A 37 15.374 9.902 9.574 1.00 22.59 C ATOM 248 CD2 LEU A 37 15.907 11.160 7.510 1.00 21.87 C ATOM 249 H LEU A 37 11.994 11.989 8.977 1.00 0.00 H ATOM 250 N LEU A 38 12.398 10.605 4.754 1.00 20.58 N ATOM 251 CA LEU A 38 11.621 10.169 3.602 1.00 21.61 C ATOM 252 C LEU A 38 12.376 9.048 2.892 1.00 23.29 C ATOM 253 O LEU A 38 13.451 9.287 2.356 1.00 22.64 O ATOM 254 CB LEU A 38 11.448 11.327 2.621 1.00 21.35 C ATOM 255 CG LEU A 38 10.796 11.063 1.266 1.00 22.32 C ATOM 256 CD1 LEU A 38 9.356 10.625 1.483 1.00 23.14 C ATOM 257 CD2 LEU A 38 10.866 12.293 0.361 1.00 22.42 C ATOM 258 H LEU A 38 13.387 10.889 4.603 1.00 0.00 H ATOM 259 N PRO A 39 11.817 7.825 2.845 1.00 25.59 N ATOM 260 CA PRO A 39 12.512 6.719 2.189 1.00 27.15 C ATOM 261 C PRO A 39 12.397 6.690 0.665 1.00 28.58 C ATOM 262 O PRO A 39 11.723 5.822 0.090 1.00 32.50 O ATOM 263 CB PRO A 39 11.859 5.487 2.840 1.00 28.15 C ATOM 264 CG PRO A 39 10.466 5.932 3.105 1.00 27.91 C ATOM 265 CD PRO A 39 10.604 7.366 3.548 1.00 26.77 C ATOM 266 N MET A 40 13.129 7.557 -0.016 1.00 28.15 N ATOM 267 CA MET A 40 13.174 7.633 -1.485 1.00 28.22 C ATOM 268 C MET A 40 13.805 6.389 -2.075 1.00 29.07 C ATOM 269 O MET A 40 14.926 6.031 -1.685 1.00 27.82 O ATOM 270 CB MET A 40 14.023 8.837 -1.885 1.00 28.23 C ATOM 271 CG MET A 40 13.355 10.182 -1.653 1.00 29.32 C ATOM 272 SD MET A 40 11.876 10.467 -2.609 1.00 30.97 S ATOM 273 CE MET A 40 12.557 10.466 -4.275 1.00 30.45 C ATOM 274 H MET A 40 13.711 8.229 0.523 1.00 0.00 H ATOM 275 N GLY A 41 13.118 5.718 -2.997 1.00 30.07 N ATOM 276 CA GLY A 41 13.593 4.435 -3.488 1.00 31.97 C ATOM 277 C GLY A 41 13.864 3.401 -2.410 1.00 32.76 C ATOM 278 O GLY A 41 14.742 2.561 -2.587 1.00 35.17 O ATOM 279 H GLY A 41 12.232 6.116 -3.370 1.00 0.00 H ATOM 280 N GLY A 42 13.120 3.454 -1.303 1.00 33.48 N ATOM 281 CA GLY A 42 13.220 2.472 -0.230 1.00 33.66 C ATOM 282 C GLY A 42 14.208 2.748 0.886 1.00 33.49 C ATOM 283 O GLY A 42 14.309 1.956 1.835 1.00 35.31 O ATOM 284 H GLY A 42 12.437 4.232 -1.201 1.00 0.00 H ATOM 285 N ASP A 43 14.932 3.859 0.809 1.00 31.98 N ATOM 286 CA ASP A 43 15.983 4.161 1.811 1.00 31.42 C ATOM 287 C ASP A 43 16.004 5.655 2.007 1.00 28.95 C ATOM 288 O ASP A 43 16.017 6.372 1.015 1.00 28.60 O ATOM 289 CB ASP A 43 17.367 3.726 1.307 1.00 33.35 C ATOM 290 CG ASP A 43 18.383 3.540 2.437 1.00 35.13 C ATOM 291 OD1 ASP A 43 18.234 4.120 3.555 1.00 35.20 O ATOM 292 OD2 ASP A 43 19.356 2.797 2.202 1.00 37.82 O ATOM 293 H ASP A 43 14.759 4.529 0.033 1.00 0.00 H ATOM 294 N HIS A 44 16.037 6.140 3.248 1.00 28.06 N ATOM 295 CA HIS A 44 16.228 7.560 3.483 1.00 27.83 C ATOM 296 C HIS A 44 17.667 8.011 3.220 1.00 26.33 C ATOM 297 O HIS A 44 17.879 9.171 2.944 1.00 24.33 O ATOM 298 CB HIS A 44 15.711 8.000 4.866 1.00 28.59 C ATOM 299 CG HIS A 44 16.479 7.465 6.034 1.00 30.01 C ATOM 300 ND1 HIS A 44 17.731 7.934 6.398 1.00 31.34 N ATOM 301 CD2 HIS A 44 16.132 6.557 6.976 1.00 32.40 C ATOM 302 CE1 HIS A 44 18.125 7.316 7.501 1.00 30.94 C ATOM 303 NE2 HIS A 44 17.179 6.474 7.867 1.00 33.20 N ATOM 304 H HIS A 44 15.925 5.495 4.056 1.00 0.00 H ATOM 305 N GLU A 45 18.621 7.079 3.258 1.00 25.89 N ATOM 306 CA GLU A 45 20.021 7.394 2.980 1.00 25.64 C ATOM 307 C GLU A 45 20.439 7.008 1.568 1.00 25.09 C ATOM 308 O GLU A 45 20.172 5.902 1.141 1.00 24.47 O ATOM 309 CB GLU A 45 20.921 6.679 3.955 1.00 27.22 C ATOM 310 CG GLU A 45 22.409 6.964 3.780 1.00 28.33 C ATOM 311 CD GLU A 45 23.218 6.291 4.879 1.00 31.00 C ATOM 312 OE1 GLU A 45 23.241 6.852 5.988 1.00 32.78 O ATOM 313 OE2 GLU A 45 23.786 5.187 4.641 1.00 33.70 O ATOM 314 H GLU A 45 18.361 6.100 3.492 1.00 0.00 H ATOM 315 N HIS A 46 21.082 7.960 0.881 1.00 23.63 N ATOM 316 CA HIS A 46 21.618 7.763 -0.457 1.00 24.08 C ATOM 317 C HIS A 46 23.057 8.257 -0.514 1.00 23.30 C ATOM 318 O HIS A 46 23.344 9.398 -0.152 1.00 22.47 O ATOM 319 CB HIS A 46 20.771 8.512 -1.451 1.00 24.45 C ATOM 320 CG HIS A 46 19.391 7.940 -1.594 1.00 25.76 C ATOM 321 ND1 HIS A 46 19.006 7.211 -2.705 1.00 28.09 N ATOM 322 CD2 HIS A 46 18.312 7.979 -0.779 1.00 26.90 C ATOM 323 CE1 HIS A 46 17.752 6.813 -2.550 1.00 27.91 C ATOM 324 NE2 HIS A 46 17.305 7.278 -1.399 1.00 26.98 N ATOM 325 H HIS A 46 21.205 8.891 1.328 1.00 0.00 H ATOM 326 N VAL A 47 23.996 7.368 -0.864 1.00 23.62 N ATOM 327 CA VAL A 47 25.393 7.741 -0.937 1.00 23.11 C ATOM 328 C VAL A 47 25.714 8.056 -2.384 1.00 21.84 C ATOM 329 O VAL A 47 25.509 7.222 -3.267 1.00 21.98 O ATOM 330 CB VAL A 47 26.360 6.662 -0.404 1.00 25.59 C ATOM 331 CG1 VAL A 47 27.798 7.197 -0.430 1.00 26.11 C ATOM 332 CG2 VAL A 47 25.967 6.242 1.018 1.00 26.53 C ATOM 333 H VAL A 47 23.716 6.392 -1.087 1.00 0.00 H ATOM 334 N VAL A 48 26.208 9.255 -2.629 1.00 19.76 N ATOM 335 CA VAL A 48 26.301 9.810 -3.966 1.00 20.17 C ATOM 336 C VAL A 48 27.592 10.581 -4.147 1.00 20.16 C ATOM 337 O VAL A 48 28.238 10.921 -3.165 1.00 20.01 O ATOM 338 CB VAL A 48 25.105 10.748 -4.237 1.00 20.17 C ATOM 339 CG1 VAL A 48 23.781 9.965 -4.238 1.00 20.99 C ATOM 340 CG2 VAL A 48 25.031 11.889 -3.225 1.00 19.83 C ATOM 341 H VAL A 48 26.545 9.827 -1.829 1.00 0.00 H ATOM 342 N PHE A 49 28.000 10.844 -5.390 1.00 20.13 N ATOM 343 CA PHE A 49 29.113 11.742 -5.624 1.00 20.18 C ATOM 344 C PHE A 49 28.838 12.757 -6.694 1.00 19.53 C ATOM 345 O PHE A 49 28.085 12.484 -7.638 1.00 18.77 O ATOM 346 CB PHE A 49 30.445 10.972 -5.869 1.00 23.07 C ATOM 347 CG PHE A 49 30.501 10.247 -7.137 1.00 25.64 C ATOM 348 CD1 PHE A 49 30.130 8.912 -7.241 1.00 27.15 C ATOM 349 CD2 PHE A 49 31.006 10.887 -8.288 1.00 27.31 C ATOM 350 CE1 PHE A 49 30.232 8.243 -8.459 1.00 28.71 C ATOM 351 CE2 PHE A 49 31.082 10.232 -9.505 1.00 28.29 C ATOM 352 CZ PHE A 49 30.712 8.908 -9.591 1.00 28.96 C ATOM 353 H PHE A 49 27.516 10.401 -6.197 1.00 0.00 H ATOM 354 N ASN A 50 29.409 13.945 -6.538 1.00 19.54 N ATOM 355 CA ASN A 50 29.228 15.021 -7.511 1.00 20.33 C ATOM 356 C ASN A 50 30.345 14.999 -8.605 1.00 20.98 C ATOM 357 O ASN A 50 31.260 14.184 -8.575 1.00 21.01 O ATOM 358 CB ASN A 50 29.075 16.384 -6.796 1.00 20.81 C ATOM 359 CG ASN A 50 30.358 16.890 -6.164 1.00 21.10 C ATOM 360 OD1 ASN A 50 31.448 16.353 -6.380 1.00 21.84 O ATOM 361 ND2 ASN A 50 30.247 17.985 -5.434 1.00 21.75 N ATOM 362 HD22 ASN A 50 29.312 18.410 -5.273 1.00 0.00 H ATOM 363 HD21 ASN A 50 31.095 18.422 -5.020 1.00 0.00 H ATOM 364 H ASN A 50 30.002 14.115 -5.700 1.00 0.00 H ATOM 365 N PRO A 51 30.264 15.921 -9.582 1.00 21.41 N ATOM 366 CA PRO A 51 31.283 15.913 -10.650 1.00 22.44 C ATOM 367 C PRO A 51 32.696 16.246 -10.173 1.00 22.60 C ATOM 368 O PRO A 51 33.668 15.916 -10.869 1.00 24.51 O ATOM 369 CB PRO A 51 30.779 16.967 -11.639 1.00 22.54 C ATOM 370 CG PRO A 51 29.297 17.007 -11.408 1.00 22.12 C ATOM 371 CD PRO A 51 29.150 16.843 -9.910 1.00 21.54 C ATOM 372 N ALA A 52 32.826 16.880 -9.014 1.00 21.95 N ATOM 373 CA ALA A 52 34.114 17.179 -8.412 1.00 22.58 C ATOM 374 C ALA A 52 34.631 16.007 -7.577 1.00 22.50 C ATOM 375 O ALA A 52 35.624 16.158 -6.872 1.00 21.46 O ATOM 376 CB ALA A 52 34.026 18.435 -7.571 1.00 22.37 C ATOM 377 H ALA A 52 31.964 17.177 -8.513 1.00 0.00 H ATOM 378 N GLY A 53 33.912 14.889 -7.592 1.00 22.04 N ATOM 379 CA GLY A 53 34.308 13.669 -6.893 1.00 22.86 C ATOM 380 C GLY A 53 33.978 13.623 -5.416 1.00 22.98 C ATOM 381 O GLY A 53 34.358 12.645 -4.736 1.00 23.22 O ATOM 382 H GLY A 53 33.021 14.883 -8.129 1.00 0.00 H ATOM 383 N MET A 54 33.290 14.638 -4.892 1.00 22.61 N ATOM 384 CA MET A 54 32.966 14.684 -3.471 1.00 24.55 C ATOM 385 C MET A 54 31.864 13.677 -3.207 1.00 22.61 C ATOM 386 O MET A 54 30.850 13.667 -3.921 1.00 20.45 O ATOM 387 CB MET A 54 32.519 16.081 -3.072 1.00 27.59 C ATOM 388 CG MET A 54 32.197 16.190 -1.607 1.00 31.62 C ATOM 389 SD MET A 54 32.649 17.820 -1.021 1.00 42.60 S ATOM 390 CE MET A 54 34.421 17.687 -1.258 1.00 41.31 C ATOM 391 H MET A 54 32.978 15.414 -5.510 1.00 0.00 H ATOM 392 N ILE A 55 32.059 12.840 -2.172 1.00 21.82 N ATOM 393 CA ILE A 55 31.067 11.855 -1.746 1.00 22.29 C ATOM 394 C ILE A 55 30.189 12.478 -0.661 1.00 20.71 C ATOM 395 O ILE A 55 30.688 13.152 0.233 1.00 21.67 O ATOM 396 CB ILE A 55 31.705 10.559 -1.217 1.00 24.22 C ATOM 397 CG1 ILE A 55 30.649 9.468 -0.995 1.00 25.38 C ATOM 398 CG2 ILE A 55 32.441 10.784 0.106 1.00 25.68 C ATOM 399 CD1 ILE A 55 31.183 8.093 -0.754 1.00 27.73 C ATOM 400 H ILE A 55 32.957 12.897 -1.651 1.00 0.00 H ATOM 401 N PHE A 56 28.877 12.242 -0.752 1.00 19.50 N ATOM 402 CA PHE A 56 27.940 12.753 0.254 1.00 19.26 C ATOM 403 C PHE A 56 27.051 11.605 0.669 1.00 19.58 C ATOM 404 O PHE A 56 26.606 10.806 -0.161 1.00 19.77 O ATOM 405 CB PHE A 56 27.046 13.872 -0.269 1.00 18.97 C ATOM 406 CG PHE A 56 27.771 15.055 -0.847 1.00 19.32 C ATOM 407 CD1 PHE A 56 28.165 16.108 -0.053 1.00 19.88 C ATOM 408 CD2 PHE A 56 27.998 15.148 -2.210 1.00 19.62 C ATOM 409 CE1 PHE A 56 28.827 17.212 -0.579 1.00 19.68 C ATOM 410 CE2 PHE A 56 28.649 16.263 -2.750 1.00 19.90 C ATOM 411 CZ PHE A 56 29.045 17.300 -1.932 1.00 19.91 C ATOM 412 H PHE A 56 28.513 11.685 -1.552 1.00 0.00 H ATOM 413 N ARG A 57 26.832 11.549 1.985 1.00 19.73 N ATOM 414 CA ARG A 57 25.812 10.664 2.531 1.00 20.90 C ATOM 415 C ARG A 57 24.610 11.590 2.739 1.00 19.08 C ATOM 416 O ARG A 57 24.624 12.473 3.620 1.00 19.25 O ATOM 417 CB ARG A 57 26.314 10.083 3.826 1.00 24.89 C ATOM 418 CG ARG A 57 25.293 9.292 4.650 1.00 28.30 C ATOM 419 CD ARG A 57 25.673 9.243 6.125 1.00 31.78 C ATOM 420 NE ARG A 57 26.967 8.574 6.288 1.00 35.26 N ATOM 421 CZ ARG A 57 27.150 7.313 6.703 1.00 37.95 C ATOM 422 NH1 ARG A 57 26.112 6.528 7.040 1.00 39.87 N ATOM 423 NH2 ARG A 57 28.393 6.834 6.816 1.00 38.11 N ATOM 424 HE ARG A 57 27.818 9.127 6.062 1.00 0.00 H ATOM 425 HH12 ARG A 57 26.280 5.553 7.359 1.00 0.00 H ATOM 426 HH11 ARG A 57 25.141 6.896 6.981 1.00 0.00 H ATOM 427 HH22 ARG A 57 28.547 5.857 7.137 1.00 0.00 H ATOM 428 HH21 ARG A 57 29.206 7.439 6.583 1.00 0.00 H ATOM 429 H ARG A 57 27.395 12.143 2.626 1.00 0.00 H ATOM 430 N VAL A 58 23.621 11.404 1.883 1.00 18.24 N ATOM 431 CA VAL A 58 22.487 12.321 1.802 1.00 17.62 C ATOM 432 C VAL A 58 21.319 11.609 2.473 1.00 18.15 C ATOM 433 O VAL A 58 21.052 10.429 2.210 1.00 18.26 O ATOM 434 CB VAL A 58 22.129 12.638 0.340 1.00 17.67 C ATOM 435 CG1 VAL A 58 20.799 13.354 0.223 1.00 17.43 C ATOM 436 CG2 VAL A 58 23.239 13.445 -0.316 1.00 17.55 C ATOM 437 H VAL A 58 23.651 10.581 1.248 1.00 0.00 H ATOM 438 N TRP A 59 20.658 12.342 3.367 1.00 17.16 N ATOM 439 CA TRP A 59 19.423 11.861 3.992 1.00 17.95 C ATOM 440 C TRP A 59 18.309 12.650 3.361 1.00 17.22 C ATOM 441 O TRP A 59 18.371 13.876 3.275 1.00 16.25 O ATOM 442 CB TRP A 59 19.469 12.022 5.508 1.00 19.23 C ATOM 443 CG TRP A 59 20.256 10.896 6.178 1.00 21.24 C ATOM 444 CD1 TRP A 59 21.212 10.081 5.597 1.00 23.33 C ATOM 445 CD2 TRP A 59 20.141 10.462 7.529 1.00 23.26 C ATOM 446 NE1 TRP A 59 21.694 9.186 6.526 1.00 24.06 N ATOM 447 CE2 TRP A 59 21.025 9.377 7.703 1.00 24.10 C ATOM 448 CE3 TRP A 59 19.347 10.857 8.603 1.00 24.66 C ATOM 449 CZ2 TRP A 59 21.158 8.709 8.924 1.00 25.26 C ATOM 450 CZ3 TRP A 59 19.461 10.186 9.801 1.00 26.06 C ATOM 451 CH2 TRP A 59 20.379 9.130 9.956 1.00 26.68 C ATOM 452 HE1 TRP A 59 22.442 8.483 6.360 1.00 0.00 H ATOM 453 H TRP A 59 21.027 13.279 3.628 1.00 0.00 H ATOM 454 N CYS A 60 17.255 11.937 2.939 1.00 16.94 N ATOM 455 CA CYS A 60 16.117 12.584 2.324 1.00 16.73 C ATOM 456 C CYS A 60 15.064 12.900 3.368 1.00 16.47 C ATOM 457 O CYS A 60 14.738 12.050 4.205 1.00 17.09 O ATOM 458 CB CYS A 60 15.536 11.678 1.270 1.00 17.36 C ATOM 459 SG CYS A 60 16.709 11.265 -0.052 1.00 19.59 S ATOM 460 H CYS A 60 17.256 10.904 3.056 1.00 0.00 H ATOM 461 N PHE A 61 14.528 14.115 3.296 1.00 15.75 N ATOM 462 CA PHE A 61 13.487 14.600 4.215 1.00 16.01 C ATOM 463 C PHE A 61 12.333 15.137 3.384 1.00 16.12 C ATOM 464 O PHE A 61 12.509 15.775 2.306 1.00 15.93 O ATOM 465 CB PHE A 61 14.043 15.732 5.062 1.00 16.22 C ATOM 466 CG PHE A 61 15.058 15.307 6.070 1.00 16.16 C ATOM 467 CD1 PHE A 61 16.409 15.281 5.732 1.00 16.56 C ATOM 468 CD2 PHE A 61 14.725 14.984 7.376 1.00 16.40 C ATOM 469 CE1 PHE A 61 17.374 14.949 6.675 1.00 16.90 C ATOM 470 CE2 PHE A 61 15.679 14.633 8.304 1.00 17.01 C ATOM 471 CZ PHE A 61 17.014 14.648 7.965 1.00 17.08 C ATOM 472 H PHE A 61 14.863 14.757 2.550 1.00 0.00 H ATOM 473 N SER A 62 11.109 14.874 3.864 1.00 16.57 N ATOM 474 CA SER A 62 9.943 15.443 3.200 1.00 17.33 C ATOM 475 C SER A 62 9.880 16.958 3.323 1.00 17.00 C ATOM 476 O SER A 62 9.337 17.630 2.446 1.00 18.15 O ATOM 477 CB SER A 62 8.686 14.816 3.775 1.00 18.31 C ATOM 478 OG SER A 62 8.648 13.458 3.364 1.00 19.36 O ATOM 479 HG SER A 62 7.835 13.027 3.728 1.00 0.00 H ATOM 480 H SER A 62 10.993 14.270 4.702 1.00 0.00 H ATOM 481 N LEU A 63 10.386 17.462 4.443 1.00 16.89 N ATOM 482 CA LEU A 63 10.239 18.820 4.853 1.00 17.03 C ATOM 483 C LEU A 63 11.543 19.269 5.507 1.00 16.63 C ATOM 484 O LEU A 63 12.208 18.461 6.168 1.00 16.98 O ATOM 485 CB LEU A 63 9.100 18.789 5.889 1.00 17.54 C ATOM 486 CG LEU A 63 8.609 20.024 6.532 1.00 17.79 C ATOM 487 CD1 LEU A 63 8.281 20.903 5.382 1.00 17.86 C ATOM 488 CD2 LEU A 63 7.411 19.572 7.317 1.00 18.18 C ATOM 489 H LEU A 63 10.925 16.824 5.062 1.00 0.00 H ATOM 490 N ALA A 64 11.825 20.538 5.395 1.00 16.30 N ATOM 491 CA ALA A 64 12.915 21.204 6.095 1.00 16.39 C ATOM 492 C ALA A 64 12.563 22.665 6.190 1.00 17.12 C ATOM 493 O ALA A 64 11.666 23.146 5.507 1.00 17.90 O ATOM 494 CB ALA A 64 14.251 21.011 5.408 1.00 16.00 C ATOM 495 H ALA A 64 11.231 21.113 4.763 1.00 0.00 H ATOM 496 N GLN A 65 13.230 23.354 7.097 1.00 17.11 N ATOM 497 CA GLN A 65 13.035 24.763 7.356 1.00 17.35 C ATOM 498 C GLN A 65 14.392 25.392 7.578 1.00 16.29 C ATOM 499 O GLN A 65 15.393 24.671 7.695 1.00 15.67 O ATOM 500 CB GLN A 65 12.181 24.979 8.601 1.00 19.32 C ATOM 501 CG GLN A 65 12.746 24.330 9.853 1.00 21.30 C ATOM 502 CD GLN A 65 11.818 24.403 11.043 1.00 24.15 C ATOM 503 OE1 GLN A 65 11.089 23.468 11.293 1.00 29.34 O ATOM 504 NE2 GLN A 65 11.832 25.497 11.755 1.00 27.92 N ATOM 505 HE22 GLN A 65 12.475 26.274 11.502 1.00 0.00 H ATOM 506 HE21 GLN A 65 11.200 25.592 12.575 1.00 0.00 H ATOM 507 H GLN A 65 13.943 22.850 7.663 1.00 0.00 H ATOM 508 N GLY A 66 14.440 26.698 7.632 1.00 16.51 N ATOM 509 CA GLY A 66 15.659 27.397 8.032 1.00 16.25 C ATOM 510 C GLY A 66 16.740 27.429 6.969 1.00 16.66 C ATOM 511 O GLY A 66 17.882 27.806 7.243 1.00 16.42 O ATOM 512 H GLY A 66 13.594 27.250 7.385 1.00 0.00 H ATOM 513 N LEU A 67 16.415 27.017 5.753 1.00 16.31 N ATOM 514 CA LEU A 67 17.357 26.988 4.644 1.00 16.63 C ATOM 515 C LEU A 67 17.101 28.207 3.783 1.00 17.89 C ATOM 516 O LEU A 67 16.130 28.932 3.994 1.00 18.45 O ATOM 517 CB LEU A 67 17.167 25.727 3.809 1.00 16.04 C ATOM 518 CG LEU A 67 17.460 24.405 4.545 1.00 15.93 C ATOM 519 CD1 LEU A 67 16.792 23.233 3.841 1.00 15.59 C ATOM 520 CD2 LEU A 67 18.944 24.167 4.815 1.00 16.20 C ATOM 521 H LEU A 67 15.440 26.699 5.582 1.00 0.00 H ATOM 522 N ARG A 68 18.026 28.474 2.870 1.00 18.49 N ATOM 523 CA ARG A 68 17.834 29.437 1.793 1.00 20.23 C ATOM 524 C ARG A 68 18.196 28.714 0.527 1.00 19.91 C ATOM 525 O ARG A 68 19.306 28.185 0.390 1.00 17.64 O ATOM 526 CB ARG A 68 18.734 30.656 1.960 1.00 22.71 C ATOM 527 CG ARG A 68 18.130 31.706 2.864 1.00 26.63 C ATOM 528 CD ARG A 68 18.948 32.984 2.847 1.00 30.32 C ATOM 529 NE ARG A 68 20.203 32.671 3.498 1.00 32.78 N ATOM 530 CZ ARG A 68 21.383 32.481 2.911 1.00 34.69 C ATOM 531 NH1 ARG A 68 22.423 32.136 3.692 1.00 34.46 N ATOM 532 NH2 ARG A 68 21.574 32.666 1.599 1.00 35.91 N ATOM 533 HE ARG A 68 20.180 32.586 4.534 1.00 0.00 H ATOM 534 HH12 ARG A 68 23.361 31.979 3.270 1.00 0.00 H ATOM 535 HH11 ARG A 68 22.289 32.026 4.718 1.00 0.00 H ATOM 536 HH22 ARG A 68 22.513 32.506 1.183 1.00 0.00 H ATOM 537 HH21 ARG A 68 20.783 32.970 0.996 1.00 0.00 H ATOM 538 H ARG A 68 18.934 27.970 2.926 1.00 0.00 H ATOM 539 N LEU A 69 17.227 28.660 -0.397 1.00 20.43 N ATOM 540 CA LEU A 69 17.421 27.971 -1.669 1.00 21.40 C ATOM 541 C LEU A 69 17.925 28.981 -2.664 1.00 23.31 C ATOM 542 O LEU A 69 17.354 30.076 -2.784 1.00 24.91 O ATOM 543 CB LEU A 69 16.110 27.343 -2.119 1.00 21.62 C ATOM 544 CG LEU A 69 15.436 26.423 -1.118 1.00 22.48 C ATOM 545 CD1 LEU A 69 14.266 25.717 -1.822 1.00 23.96 C ATOM 546 CD2 LEU A 69 16.401 25.398 -0.524 1.00 22.22 C ATOM 547 H LEU A 69 16.315 29.120 -0.203 1.00 0.00 H ATOM 548 N ILE A 70 19.015 28.655 -3.352 1.00 23.84 N ATOM 549 CA ILE A 70 19.731 29.631 -4.159 1.00 26.13 C ATOM 550 C ILE A 70 19.620 29.243 -5.627 1.00 27.35 C ATOM 551 O ILE A 70 19.845 28.090 -5.991 1.00 25.41 O ATOM 552 CB ILE A 70 21.209 29.676 -3.798 1.00 28.46 C ATOM 553 CG1 ILE A 70 21.421 29.992 -2.316 1.00 28.89 C ATOM 554 CG2 ILE A 70 21.977 30.648 -4.693 1.00 30.00 C ATOM 555 CD1 ILE A 70 20.911 31.309 -1.816 1.00 29.68 C ATOM 556 H ILE A 70 19.365 27.676 -3.312 1.00 0.00 H ATOM 557 N GLY A 71 19.247 30.234 -6.431 1.00 28.10 N ATOM 558 CA GLY A 71 19.183 30.044 -7.874 1.00 29.75 C ATOM 559 C GLY A 71 17.939 29.330 -8.358 1.00 30.40 C ATOM 560 O GLY A 71 17.014 29.037 -7.593 1.00 33.66 O ATOM 561 H GLY A 71 18.997 31.158 -6.024 1.00 0.00 H ATOM 562 N ALA A 72 17.925 29.073 -9.654 1.00 30.88 N ATOM 563 CA ALA A 72 16.856 28.382 -10.314 1.00 29.56 C ATOM 564 C ALA A 72 17.215 26.884 -10.350 1.00 26.18 C ATOM 565 O ALA A 72 18.396 26.528 -10.322 1.00 28.56 O ATOM 566 CB ALA A 72 16.699 28.925 -11.728 1.00 31.03 C ATOM 567 H ALA A 72 18.734 29.389 -10.227 1.00 0.00 H ATOM 568 N PRO A 73 16.201 26.017 -10.435 1.00 23.93 N ATOM 569 CA PRO A 73 16.458 24.588 -10.456 1.00 21.94 C ATOM 570 C PRO A 73 17.233 24.122 -11.679 1.00 21.46 C ATOM 571 O PRO A 73 17.114 24.712 -12.729 1.00 22.72 O ATOM 572 CB PRO A 73 15.050 23.970 -10.429 1.00 22.24 C ATOM 573 CG PRO A 73 14.156 25.040 -9.978 1.00 22.25 C ATOM 574 CD PRO A 73 14.760 26.298 -10.430 1.00 22.96 C ATOM 575 N SER A 74 18.023 23.064 -11.520 1.00 19.86 N ATOM 576 CA SER A 74 18.725 22.415 -12.608 1.00 18.99 C ATOM 577 C SER A 74 18.543 20.921 -12.572 1.00 18.55 C ATOM 578 O SER A 74 18.544 20.329 -11.493 1.00 17.65 O ATOM 579 CB SER A 74 20.229 22.703 -12.481 1.00 19.82 C ATOM 580 OG SER A 74 20.965 22.009 -13.502 1.00 20.67 O ATOM 581 HG SER A 74 21.930 22.207 -13.404 1.00 0.00 H ATOM 582 H SER A 74 18.143 22.681 -10.561 1.00 0.00 H ATOM 583 N GLY A 75 18.374 20.288 -13.720 1.00 18.12 N ATOM 584 CA GLY A 75 18.338 18.839 -13.814 1.00 18.54 C ATOM 585 C GLY A 75 19.692 18.190 -14.005 1.00 19.71 C ATOM 586 O GLY A 75 19.792 16.980 -13.940 1.00 19.48 O ATOM 587 H GLY A 75 18.263 20.849 -14.589 1.00 0.00 H ATOM 588 N GLU A 76 20.741 18.983 -14.205 1.00 21.25 N ATOM 589 CA GLU A 76 22.035 18.390 -14.575 1.00 23.79 C ATOM 590 C GLU A 76 22.639 17.593 -13.412 1.00 21.97 C ATOM 591 O GLU A 76 22.672 18.018 -12.272 1.00 21.10 O ATOM 592 CB GLU A 76 22.982 19.299 -15.369 1.00 28.22 C ATOM 593 CG GLU A 76 23.290 20.671 -14.884 1.00 32.29 C ATOM 594 CD GLU A 76 23.665 21.635 -16.017 1.00 35.94 C ATOM 595 OE1 GLU A 76 23.070 21.555 -17.124 1.00 41.20 O ATOM 596 OE2 GLU A 76 24.533 22.505 -15.789 1.00 39.92 O ATOM 597 H GLU A 76 20.647 20.013 -14.101 1.00 0.00 H ATOM 598 N PHE A 77 23.072 16.385 -13.737 1.00 21.56 N ATOM 599 CA PHE A 77 23.724 15.458 -12.786 1.00 21.57 C ATOM 600 C PHE A 77 22.797 15.075 -11.625 1.00 19.80 C ATOM 601 O PHE A 77 23.295 14.637 -10.606 1.00 19.40 O ATOM 602 CB PHE A 77 25.051 16.016 -12.201 1.00 22.89 C ATOM 603 CG PHE A 77 25.984 16.597 -13.213 1.00 24.48 C ATOM 604 CD1 PHE A 77 26.605 15.795 -14.087 1.00 26.58 C ATOM 605 CD2 PHE A 77 26.196 17.961 -13.277 1.00 26.07 C ATOM 606 CE1 PHE A 77 27.510 16.304 -15.042 1.00 27.61 C ATOM 607 CE2 PHE A 77 27.069 18.510 -14.217 1.00 27.60 C ATOM 608 CZ PHE A 77 27.733 17.671 -15.083 1.00 27.81 C ATOM 609 H PHE A 77 22.946 16.069 -14.720 1.00 0.00 H ATOM 610 N SER A 78 21.479 15.244 -11.731 1.00 18.58 N ATOM 611 CA SER A 78 20.622 14.929 -10.607 1.00 17.62 C ATOM 612 C SER A 78 20.746 13.477 -10.192 1.00 17.84 C ATOM 613 O SER A 78 20.679 12.573 -11.005 1.00 18.12 O ATOM 614 CB SER A 78 19.151 15.219 -10.904 1.00 17.54 C ATOM 615 OG SER A 78 18.388 14.952 -9.753 1.00 16.95 O ATOM 616 HG SER A 78 17.434 15.138 -9.940 1.00 0.00 H ATOM 617 H SER A 78 21.068 15.601 -12.617 1.00 0.00 H ATOM 618 N TRP A 79 20.932 13.266 -8.895 1.00 17.40 N ATOM 619 CA TRP A 79 21.006 11.936 -8.308 1.00 17.88 C ATOM 620 C TRP A 79 19.636 11.266 -8.212 1.00 18.48 C ATOM 621 O TRP A 79 19.566 10.073 -7.901 1.00 20.04 O ATOM 622 CB TRP A 79 21.641 12.021 -6.933 1.00 17.78 C ATOM 623 CG TRP A 79 23.040 12.517 -6.933 1.00 17.28 C ATOM 624 CD1 TRP A 79 24.095 12.081 -7.703 1.00 18.21 C ATOM 625 CD2 TRP A 79 23.569 13.519 -6.062 1.00 17.09 C ATOM 626 NE1 TRP A 79 25.239 12.774 -7.366 1.00 17.66 N ATOM 627 CE2 TRP A 79 24.943 13.642 -6.334 1.00 17.16 C ATOM 628 CE3 TRP A 79 23.007 14.322 -5.058 1.00 16.89 C ATOM 629 CZ2 TRP A 79 25.744 14.560 -5.669 1.00 17.01 C ATOM 630 CZ3 TRP A 79 23.807 15.212 -4.409 1.00 16.66 C ATOM 631 CH2 TRP A 79 25.171 15.309 -4.699 1.00 17.29 C ATOM 632 HE1 TRP A 79 26.170 12.661 -7.815 1.00 0.00 H ATOM 633 H TRP A 79 21.030 14.090 -8.268 1.00 0.00 H ATOM 634 N PHE A 80 18.551 11.999 -8.439 1.00 18.00 N ATOM 635 CA PHE A 80 17.205 11.477 -8.266 1.00 18.34 C ATOM 636 C PHE A 80 16.458 11.696 -9.559 1.00 18.48 C ATOM 637 O PHE A 80 16.194 12.825 -9.958 1.00 18.03 O ATOM 638 CB PHE A 80 16.523 12.159 -7.074 1.00 18.44 C ATOM 639 CG PHE A 80 17.245 11.932 -5.779 1.00 18.65 C ATOM 640 CD1 PHE A 80 17.043 10.758 -5.066 1.00 19.59 C ATOM 641 CD2 PHE A 80 18.087 12.868 -5.292 1.00 18.60 C ATOM 642 CE1 PHE A 80 17.632 10.564 -3.812 1.00 19.72 C ATOM 643 CE2 PHE A 80 18.772 12.653 -4.083 1.00 19.22 C ATOM 644 CZ PHE A 80 18.529 11.496 -3.337 1.00 19.16 C ATOM 645 H PHE A 80 18.669 12.984 -8.752 1.00 0.00 H ATOM 646 N LYS A 81 16.139 10.582 -10.215 1.00 20.09 N ATOM 647 CA LYS A 81 15.522 10.636 -11.527 1.00 20.26 C ATOM 648 C LYS A 81 14.223 11.412 -11.523 1.00 18.78 C ATOM 649 O LYS A 81 13.349 11.185 -10.693 1.00 18.82 O ATOM 650 CB LYS A 81 15.288 9.211 -12.055 1.00 22.51 C ATOM 651 CG LYS A 81 14.714 9.150 -13.465 1.00 24.38 C ATOM 652 CD LYS A 81 15.657 9.768 -14.497 1.00 26.85 C ATOM 653 H LYS A 81 16.335 9.658 -9.780 1.00 0.00 H ATOM 654 N GLY A 82 14.122 12.354 -12.453 1.00 18.16 N ATOM 655 CA GLY A 82 12.934 13.176 -12.600 1.00 17.69 C ATOM 656 C GLY A 82 12.889 14.416 -11.758 1.00 17.21 C ATOM 657 O GLY A 82 11.956 15.179 -11.883 1.00 17.50 O ATOM 658 H GLY A 82 14.922 12.509 -13.099 1.00 0.00 H ATOM 659 N TYR A 83 13.931 14.670 -10.948 1.00 16.65 N ATOM 660 CA TYR A 83 13.963 15.853 -10.089 1.00 16.24 C ATOM 661 C TYR A 83 15.061 16.816 -10.515 1.00 16.15 C ATOM 662 O TYR A 83 16.119 16.395 -10.961 1.00 17.55 O ATOM 663 CB TYR A 83 14.231 15.456 -8.655 1.00 15.40 C ATOM 664 CG TYR A 83 13.156 14.646 -8.032 1.00 15.17 C ATOM 665 CD1 TYR A 83 12.067 15.251 -7.413 1.00 15.02 C ATOM 666 CD2 TYR A 83 13.223 13.271 -8.031 1.00 15.62 C ATOM 667 CE1 TYR A 83 11.090 14.491 -6.799 1.00 15.13 C ATOM 668 CE2 TYR A 83 12.223 12.495 -7.453 1.00 15.98 C ATOM 669 CZ TYR A 83 11.154 13.109 -6.864 1.00 16.08 C ATOM 670 OH TYR A 83 10.191 12.337 -6.291 1.00 17.14 O ATOM 671 HH TYR A 83 9.487 12.919 -5.909 1.00 0.00 H ATOM 672 H TYR A 83 14.734 14.009 -10.932 1.00 0.00 H ATOM 673 N ASP A 84 14.748 18.104 -10.400 1.00 16.25 N ATOM 674 CA ASP A 84 15.683 19.181 -10.590 1.00 16.86 C ATOM 675 C ASP A 84 16.052 19.654 -9.204 1.00 16.87 C ATOM 676 O ASP A 84 15.267 19.535 -8.281 1.00 17.36 O ATOM 677 CB ASP A 84 15.006 20.295 -11.390 1.00 18.64 C ATOM 678 CG ASP A 84 14.317 19.701 -12.625 1.00 20.60 C ATOM 679 OD1 ASP A 84 15.092 19.108 -13.388 1.00 23.04 O ATOM 680 OD2 ASP A 84 13.058 19.701 -12.778 1.00 23.34 O ATOM 681 H ASP A 84 13.766 18.348 -10.158 1.00 0.00 H ATOM 682 N TRP A 85 17.242 20.197 -9.068 1.00 15.71 N ATOM 683 CA TRP A 85 17.772 20.581 -7.735 1.00 16.04 C ATOM 684 C TRP A 85 18.123 22.038 -7.675 1.00 15.98 C ATOM 685 O TRP A 85 18.460 22.676 -8.697 1.00 16.40 O ATOM 686 CB TRP A 85 18.995 19.755 -7.364 1.00 16.36 C ATOM 687 CG TRP A 85 20.087 19.757 -8.400 1.00 16.67 C ATOM 688 CD1 TRP A 85 20.278 18.832 -9.380 1.00 17.21 C ATOM 689 CD2 TRP A 85 21.113 20.738 -8.574 1.00 17.34 C ATOM 690 NE1 TRP A 85 21.329 19.190 -10.157 1.00 17.60 N ATOM 691 CE2 TRP A 85 21.866 20.360 -9.691 1.00 17.59 C ATOM 692 CE3 TRP A 85 21.463 21.905 -7.891 1.00 17.59 C ATOM 693 CZ2 TRP A 85 22.943 21.111 -10.160 1.00 18.15 C ATOM 694 CZ3 TRP A 85 22.559 22.638 -8.333 1.00 18.32 C ATOM 695 CH2 TRP A 85 23.299 22.216 -9.440 1.00 18.45 C ATOM 696 HE1 TRP A 85 21.675 18.658 -10.981 1.00 0.00 H ATOM 697 H TRP A 85 17.825 20.361 -9.913 1.00 0.00 H ATOM 698 N THR A 86 18.082 22.545 -6.440 1.00 15.90 N ATOM 699 CA THR A 86 18.616 23.857 -6.105 1.00 15.84 C ATOM 700 C THR A 86 19.466 23.674 -4.863 1.00 15.73 C ATOM 701 O THR A 86 19.124 22.891 -3.978 1.00 15.90 O ATOM 702 CB THR A 86 17.526 24.881 -5.791 1.00 15.96 C ATOM 703 OG1 THR A 86 16.662 24.381 -4.777 1.00 15.66 O ATOM 704 CG2 THR A 86 16.739 25.267 -7.022 1.00 16.08 C ATOM 705 HG1 THR A 86 17.187 24.202 -3.957 1.00 0.00 H ATOM 706 H THR A 86 17.649 21.977 -5.684 1.00 0.00 H ATOM 707 N ILE A 87 20.563 24.408 -4.809 1.00 15.45 N ATOM 708 CA ILE A 87 21.428 24.370 -3.612 1.00 15.66 C ATOM 709 C ILE A 87 20.652 24.920 -2.421 1.00 14.93 C ATOM 710 O ILE A 87 19.922 25.951 -2.528 1.00 15.83 O ATOM 711 CB ILE A 87 22.694 25.205 -3.887 1.00 16.98 C ATOM 712 CG1 ILE A 87 23.529 24.452 -4.930 1.00 18.16 C ATOM 713 CG2 ILE A 87 23.481 25.508 -2.591 1.00 17.60 C ATOM 714 CD1 ILE A 87 24.601 25.312 -5.568 1.00 19.47 C ATOM 715 H ILE A 87 20.819 25.016 -5.613 1.00 0.00 H ATOM 716 N ALA A 88 20.794 24.234 -1.277 1.00 13.84 N ATOM 717 CA ALA A 88 20.164 24.641 -0.027 1.00 13.86 C ATOM 718 C ALA A 88 21.273 25.006 0.953 1.00 13.79 C ATOM 719 O ALA A 88 22.085 24.147 1.332 1.00 14.23 O ATOM 720 CB ALA A 88 19.306 23.516 0.514 1.00 13.39 C ATOM 721 H ALA A 88 21.379 23.374 -1.282 1.00 0.00 H ATOM 722 N LEU A 89 21.322 26.285 1.324 1.00 14.31 N ATOM 723 CA LEU A 89 22.248 26.760 2.331 1.00 14.21 C ATOM 724 C LEU A 89 21.497 26.900 3.640 1.00 14.11 C ATOM 725 O LEU A 89 20.293 27.139 3.659 1.00 14.35 O ATOM 726 CB LEU A 89 22.829 28.103 1.951 1.00 15.29 C ATOM 727 CG LEU A 89 23.503 28.179 0.592 1.00 15.87 C ATOM 728 CD1 LEU A 89 23.994 29.617 0.399 1.00 17.58 C ATOM 729 CD2 LEU A 89 24.598 27.123 0.420 1.00 15.83 C ATOM 730 H LEU A 89 20.674 26.964 0.876 1.00 0.00 H ATOM 731 N CYS A 90 22.226 26.765 4.730 1.00 13.65 N ATOM 732 CA CYS A 90 21.704 27.220 6.021 1.00 13.81 C ATOM 733 C CYS A 90 21.333 28.691 5.880 1.00 13.99 C ATOM 734 O CYS A 90 22.152 29.526 5.481 1.00 14.69 O ATOM 735 CB CYS A 90 22.721 27.015 7.116 1.00 14.16 C ATOM 736 SG CYS A 90 22.149 27.630 8.730 1.00 14.01 S ATOM 737 H CYS A 90 23.172 26.336 4.673 1.00 0.00 H ATOM 738 N GLY A 91 20.084 29.018 6.230 1.00 14.37 N ATOM 739 CA GLY A 91 19.588 30.367 6.078 1.00 14.97 C ATOM 740 C GLY A 91 20.184 31.315 7.077 1.00 15.40 C ATOM 741 O GLY A 91 20.065 32.521 6.900 1.00 16.84 O ATOM 742 H GLY A 91 19.456 28.286 6.620 1.00 0.00 H ATOM 743 N GLN A 92 20.791 30.787 8.133 1.00 14.96 N ATOM 744 CA GLN A 92 21.407 31.587 9.160 1.00 15.49 C ATOM 745 C GLN A 92 22.875 31.826 8.822 1.00 15.72 C ATOM 746 O GLN A 92 23.308 32.965 8.699 1.00 16.62 O ATOM 747 CB GLN A 92 21.210 30.907 10.515 1.00 15.59 C ATOM 748 CG GLN A 92 21.750 31.683 11.691 1.00 15.71 C ATOM 749 CD GLN A 92 21.095 31.292 12.980 1.00 15.86 C ATOM 750 OE1 GLN A 92 20.095 31.911 13.363 1.00 16.96 O ATOM 751 NE2 GLN A 92 21.586 30.232 13.626 1.00 15.51 N ATOM 752 HE22 GLN A 92 22.430 29.746 13.262 1.00 0.00 H ATOM 753 HE21 GLN A 92 21.124 29.892 14.494 1.00 0.00 H ATOM 754 H GLN A 92 20.823 29.751 8.222 1.00 0.00 H ATOM 755 N CYS A 93 23.659 30.759 8.641 1.00 15.39 N ATOM 756 CA CYS A 93 25.120 30.926 8.489 1.00 15.58 C ATOM 757 C CYS A 93 25.718 30.706 7.095 1.00 15.71 C ATOM 758 O CYS A 93 26.897 30.987 6.892 1.00 16.25 O ATOM 759 CB CYS A 93 25.826 30.033 9.473 1.00 15.49 C ATOM 760 SG CYS A 93 25.964 28.278 8.975 1.00 15.28 S ATOM 761 H CYS A 93 23.240 29.808 8.607 1.00 0.00 H ATOM 762 N GLY A 94 24.904 30.194 6.161 1.00 15.41 N ATOM 763 CA GLY A 94 25.351 29.998 4.799 1.00 15.72 C ATOM 764 C GLY A 94 26.036 28.682 4.516 1.00 15.46 C ATOM 765 O GLY A 94 26.458 28.427 3.379 1.00 16.18 O ATOM 766 H GLY A 94 23.932 29.932 6.421 1.00 0.00 H ATOM 767 N SER A 95 26.154 27.813 5.510 1.00 15.23 N ATOM 768 CA SER A 95 26.746 26.474 5.338 1.00 15.44 C ATOM 769 C SER A 95 25.929 25.722 4.276 1.00 14.82 C ATOM 770 O SER A 95 24.697 25.773 4.256 1.00 14.22 O ATOM 771 CB SER A 95 26.697 25.685 6.650 1.00 16.12 C ATOM 772 OG SER A 95 27.208 24.370 6.514 1.00 17.02 O ATOM 773 HG SER A 95 28.152 24.413 6.219 1.00 0.00 H ATOM 774 H SER A 95 25.814 28.088 6.453 1.00 0.00 H ATOM 775 N HIS A 96 26.635 25.030 3.379 1.00 14.72 N ATOM 776 CA HIS A 96 25.918 24.261 2.371 1.00 14.34 C ATOM 777 C HIS A 96 25.416 22.967 2.976 1.00 14.04 C ATOM 778 O HIS A 96 26.219 22.070 3.278 1.00 14.95 O ATOM 779 CB HIS A 96 26.831 23.983 1.179 1.00 14.79 C ATOM 780 CG HIS A 96 26.186 23.115 0.157 1.00 15.26 C ATOM 781 ND1 HIS A 96 26.905 22.268 -0.655 1.00 16.08 N ATOM 782 CD2 HIS A 96 24.879 22.949 -0.166 1.00 15.63 C ATOM 783 CE1 HIS A 96 26.065 21.638 -1.452 1.00 16.05 C ATOM 784 NE2 HIS A 96 24.826 22.020 -1.169 1.00 15.58 N ATOM 785 H HIS A 96 27.675 25.040 3.399 1.00 0.00 H ATOM 786 N LEU A 97 24.112 22.858 3.204 1.00 13.12 N ATOM 787 CA LEU A 97 23.539 21.722 3.897 1.00 13.51 C ATOM 788 C LEU A 97 22.979 20.647 2.989 1.00 13.15 C ATOM 789 O LEU A 97 22.786 19.518 3.419 1.00 13.84 O ATOM 790 CB LEU A 97 22.455 22.177 4.877 1.00 13.97 C ATOM 791 CG LEU A 97 22.951 23.067 6.019 1.00 14.73 C ATOM 792 CD1 LEU A 97 21.820 23.280 7.020 1.00 15.16 C ATOM 793 CD2 LEU A 97 24.187 22.516 6.749 1.00 15.45 C ATOM 794 H LEU A 97 23.480 23.615 2.873 1.00 0.00 H ATOM 795 N GLY A 98 22.693 20.999 1.739 1.00 13.10 N ATOM 796 CA GLY A 98 22.229 20.022 0.789 1.00 13.08 C ATOM 797 C GLY A 98 21.533 20.656 -0.390 1.00 12.94 C ATOM 798 O GLY A 98 22.009 21.653 -0.921 1.00 13.08 O ATOM 799 H GLY A 98 22.806 21.990 1.445 1.00 0.00 H ATOM 800 N TRP A 99 20.420 20.046 -0.807 1.00 12.85 N ATOM 801 CA TRP A 99 19.705 20.477 -2.003 1.00 13.35 C ATOM 802 C TRP A 99 18.219 20.281 -1.808 1.00 13.47 C ATOM 803 O TRP A 99 17.779 19.388 -1.079 1.00 13.13 O ATOM 804 CB TRP A 99 20.145 19.664 -3.235 1.00 13.90 C ATOM 805 CG TRP A 99 21.641 19.699 -3.483 1.00 14.45 C ATOM 806 CD1 TRP A 99 22.303 20.566 -4.289 1.00 15.01 C ATOM 807 CD2 TRP A 99 22.642 18.886 -2.856 1.00 14.92 C ATOM 808 NE1 TRP A 99 23.662 20.334 -4.213 1.00 15.81 N ATOM 809 CE2 TRP A 99 23.893 19.308 -3.344 1.00 15.37 C ATOM 810 CE3 TRP A 99 22.598 17.839 -1.938 1.00 15.05 C ATOM 811 CZ2 TRP A 99 25.093 18.729 -2.931 1.00 16.25 C ATOM 812 CZ3 TRP A 99 23.820 17.264 -1.519 1.00 15.82 C ATOM 813 CH2 TRP A 99 25.028 17.728 -2.001 1.00 15.92 C ATOM 814 HE1 TRP A 99 24.393 20.858 -4.735 1.00 0.00 H ATOM 815 H TRP A 99 20.052 19.240 -0.263 1.00 0.00 H ATOM 816 N HIS A 100 17.460 21.148 -2.472 1.00 13.92 N ATOM 817 CA HIS A 100 16.026 20.936 -2.570 1.00 14.41 C ATOM 818 C HIS A 100 15.735 20.394 -3.956 1.00 14.11 C ATOM 819 O HIS A 100 16.267 20.910 -4.943 1.00 15.07 O ATOM 820 CB HIS A 100 15.270 22.226 -2.374 1.00 15.43 C ATOM 821 CG HIS A 100 13.792 22.054 -2.337 1.00 16.57 C ATOM 822 ND1 HIS A 100 12.953 22.684 -3.239 1.00 19.17 N ATOM 823 CD2 HIS A 100 12.995 21.310 -1.532 1.00 17.28 C ATOM 824 CE1 HIS A 100 11.704 22.339 -2.975 1.00 18.07 C ATOM 825 NE2 HIS A 100 11.698 21.531 -1.938 1.00 18.05 N ATOM 826 H HIS A 100 17.894 21.979 -2.922 1.00 0.00 H ATOM 827 N TYR A 101 14.900 19.374 -3.998 1.00 13.86 N ATOM 828 CA TYR A 101 14.535 18.697 -5.246 1.00 13.80 C ATOM 829 C TYR A 101 13.079 19.005 -5.568 1.00 14.67 C ATOM 830 O TYR A 101 12.247 19.030 -4.689 1.00 14.88 O ATOM 831 CB TYR A 101 14.747 17.187 -5.118 1.00 13.57 C ATOM 832 CG TYR A 101 16.215 16.857 -5.088 1.00 13.47 C ATOM 833 CD1 TYR A 101 16.924 16.682 -6.264 1.00 13.98 C ATOM 834 CD2 TYR A 101 16.913 16.805 -3.881 1.00 13.67 C ATOM 835 CE1 TYR A 101 18.283 16.381 -6.246 1.00 13.93 C ATOM 836 CE2 TYR A 101 18.251 16.504 -3.845 1.00 13.59 C ATOM 837 CZ TYR A 101 18.936 16.326 -5.034 1.00 13.83 C ATOM 838 OH TYR A 101 20.304 16.031 -5.039 1.00 14.61 O ATOM 839 HH TYR A 101 20.617 15.940 -5.974 1.00 0.00 H ATOM 840 H TYR A 101 14.483 19.035 -3.108 1.00 0.00 H ATOM 841 N GLU A 102 12.804 19.302 -6.822 1.00 15.47 N ATOM 842 CA GLU A 102 11.453 19.600 -7.276 1.00 17.10 C ATOM 843 C GLU A 102 11.255 19.089 -8.687 1.00 16.44 C ATOM 844 O GLU A 102 12.171 18.633 -9.344 1.00 15.46 O ATOM 845 CB GLU A 102 11.191 21.096 -7.276 1.00 19.85 C ATOM 846 CG GLU A 102 12.134 21.927 -8.151 1.00 23.46 C ATOM 847 CD GLU A 102 11.996 23.434 -7.845 1.00 28.41 C ATOM 848 OE1 GLU A 102 10.963 24.016 -8.215 1.00 31.89 O ATOM 849 OE2 GLU A 102 12.883 24.040 -7.189 1.00 32.52 O ATOM 850 H GLU A 102 13.581 19.324 -7.513 1.00 0.00 H ATOM 851 N GLY A 103 10.007 19.182 -9.105 1.00 16.75 N ATOM 852 CA GLY A 103 9.668 18.886 -10.493 1.00 16.72 C ATOM 853 C GLY A 103 9.451 17.428 -10.805 1.00 16.63 C ATOM 854 O GLY A 103 9.300 17.063 -11.973 1.00 16.93 O ATOM 855 H GLY A 103 9.260 19.468 -8.441 1.00 0.00 H ATOM 856 N GLY A 104 9.422 16.583 -9.779 1.00 15.85 N ATOM 857 CA GLY A 104 9.286 15.152 -9.980 1.00 15.87 C ATOM 858 C GLY A 104 7.912 14.657 -9.617 1.00 16.87 C ATOM 859 O GLY A 104 6.938 15.401 -9.675 1.00 16.06 O ATOM 860 H GLY A 104 9.498 16.956 -8.811 1.00 0.00 H ATOM 861 N SER A 105 7.843 13.407 -9.185 1.00 17.70 N ATOM 862 CA SER A 105 6.549 12.726 -8.969 1.00 18.97 C ATOM 863 C SER A 105 6.627 11.845 -7.751 1.00 20.58 C ATOM 864 O SER A 105 7.647 11.169 -7.534 1.00 20.74 O ATOM 865 CB SER A 105 6.210 11.871 -10.161 1.00 19.85 C ATOM 866 OG SER A 105 6.158 12.652 -11.317 1.00 20.46 O ATOM 867 HG SER A 105 5.934 12.078 -12.092 1.00 0.00 H ATOM 868 H SER A 105 8.724 12.890 -8.992 1.00 0.00 H ATOM 869 N GLN A 106 5.630 11.974 -6.875 1.00 20.96 N ATOM 870 CA GLN A 106 5.456 11.117 -5.708 1.00 21.86 C ATOM 871 C GLN A 106 6.714 10.905 -4.839 1.00 20.96 C ATOM 872 O GLN A 106 7.248 9.786 -4.762 1.00 21.61 O ATOM 873 CB GLN A 106 4.807 9.795 -6.141 1.00 24.12 C ATOM 874 CG GLN A 106 4.287 8.996 -4.962 1.00 26.66 C ATOM 875 CD GLN A 106 3.267 7.924 -5.284 1.00 28.67 C ATOM 876 OE1 GLN A 106 2.858 7.699 -6.419 1.00 32.03 O ATOM 877 NE2 GLN A 106 2.838 7.252 -4.238 1.00 30.79 N ATOM 878 HE22 GLN A 106 3.208 7.471 -3.291 1.00 0.00 H ATOM 879 HE21 GLN A 106 2.128 6.501 -4.358 1.00 0.00 H ATOM 880 H GLN A 106 4.935 12.731 -7.034 1.00 0.00 H ATOM 881 N PRO A 107 7.232 11.967 -4.202 1.00 19.18 N ATOM 882 CA PRO A 107 6.670 13.279 -4.120 1.00 18.66 C ATOM 883 C PRO A 107 7.164 14.218 -5.230 1.00 17.65 C ATOM 884 O PRO A 107 8.176 13.957 -5.861 1.00 17.12 O ATOM 885 CB PRO A 107 7.200 13.757 -2.771 1.00 19.02 C ATOM 886 CG PRO A 107 8.553 13.170 -2.705 1.00 18.84 C ATOM 887 CD PRO A 107 8.396 11.826 -3.309 1.00 19.13 C ATOM 888 N GLN A 108 6.464 15.334 -5.390 1.00 16.93 N ATOM 889 CA GLN A 108 6.908 16.350 -6.321 1.00 17.18 C ATOM 890 C GLN A 108 8.208 17.010 -5.862 1.00 16.43 C ATOM 891 O GLN A 108 8.999 17.430 -6.684 1.00 15.90 O ATOM 892 CB GLN A 108 5.836 17.416 -6.531 1.00 18.04 C ATOM 893 CG GLN A 108 4.643 16.930 -7.350 1.00 19.61 C ATOM 894 CD GLN A 108 3.587 18.000 -7.469 1.00 20.98 C ATOM 895 OE1 GLN A 108 3.246 18.651 -6.493 1.00 23.24 O ATOM 896 NE2 GLN A 108 3.065 18.197 -8.670 1.00 22.82 N ATOM 897 HE22 GLN A 108 3.383 17.621 -9.476 1.00 0.00 H ATOM 898 HE21 GLN A 108 2.337 18.927 -8.807 1.00 0.00 H ATOM 899 H GLN A 108 5.591 15.480 -4.843 1.00 0.00 H ATOM 900 N THR A 109 8.361 17.137 -4.547 1.00 16.59 N ATOM 901 CA THR A 109 9.482 17.821 -3.935 1.00 16.92 C ATOM 902 C THR A 109 9.984 17.093 -2.686 1.00 16.40 C ATOM 903 O THR A 109 9.218 16.416 -2.009 1.00 16.87 O ATOM 904 CB THR A 109 9.112 19.258 -3.505 1.00 18.37 C ATOM 905 OG1 THR A 109 8.187 19.214 -2.405 1.00 19.45 O ATOM 906 CG2 THR A 109 8.502 20.025 -4.643 1.00 18.57 C ATOM 907 HG1 THR A 109 8.605 18.741 -1.642 1.00 0.00 H ATOM 908 H THR A 109 7.637 16.723 -3.925 1.00 0.00 H ATOM 909 N PHE A 110 11.260 17.273 -2.380 1.00 15.33 N ATOM 910 CA PHE A 110 11.831 16.808 -1.106 1.00 14.95 C ATOM 911 C PHE A 110 13.202 17.506 -0.915 1.00 14.01 C ATOM 912 O PHE A 110 13.684 18.216 -1.824 1.00 14.21 O ATOM 913 CB PHE A 110 11.974 15.288 -1.074 1.00 15.25 C ATOM 914 CG PHE A 110 12.972 14.723 -2.027 1.00 15.24 C ATOM 915 CD1 PHE A 110 12.643 14.479 -3.362 1.00 15.18 C ATOM 916 CD2 PHE A 110 14.246 14.411 -1.620 1.00 15.44 C ATOM 917 CE1 PHE A 110 13.566 13.991 -4.261 1.00 15.61 C ATOM 918 CE2 PHE A 110 15.185 13.928 -2.525 1.00 15.76 C ATOM 919 CZ PHE A 110 14.828 13.707 -3.832 1.00 15.52 C ATOM 920 H PHE A 110 11.878 17.758 -3.062 1.00 0.00 H ATOM 921 N PHE A 111 13.813 17.264 0.246 1.00 13.69 N ATOM 922 CA PHE A 111 15.151 17.785 0.525 1.00 13.87 C ATOM 923 C PHE A 111 16.129 16.633 0.672 1.00 13.75 C ATOM 924 O PHE A 111 15.816 15.623 1.308 1.00 14.19 O ATOM 925 CB PHE A 111 15.153 18.544 1.839 1.00 14.67 C ATOM 926 CG PHE A 111 14.386 19.819 1.797 1.00 15.66 C ATOM 927 CD1 PHE A 111 13.023 19.803 2.019 1.00 16.10 C ATOM 928 CD2 PHE A 111 15.009 21.022 1.496 1.00 16.75 C ATOM 929 CE1 PHE A 111 12.289 20.983 1.990 1.00 16.89 C ATOM 930 CE2 PHE A 111 14.283 22.206 1.484 1.00 17.38 C ATOM 931 CZ PHE A 111 12.926 22.177 1.716 1.00 17.22 C ATOM 932 H PHE A 111 13.328 16.693 0.968 1.00 0.00 H ATOM 933 N GLY A 112 17.302 16.781 0.050 1.00 13.16 N ATOM 934 CA GLY A 112 18.417 15.873 0.309 1.00 13.09 C ATOM 935 C GLY A 112 19.475 16.618 1.093 1.00 13.23 C ATOM 936 O GLY A 112 20.082 17.514 0.549 1.00 13.94 O ATOM 937 H GLY A 112 17.424 17.557 -0.631 1.00 0.00 H ATOM 938 N LEU A 113 19.647 16.270 2.368 1.00 13.19 N ATOM 939 CA LEU A 113 20.548 16.990 3.233 1.00 13.52 C ATOM 940 C LEU A 113 21.761 16.134 3.571 1.00 13.69 C ATOM 941 O LEU A 113 21.672 14.914 3.708 1.00 14.43 O ATOM 942 CB LEU A 113 19.858 17.392 4.530 1.00 13.66 C ATOM 943 CG LEU A 113 18.626 18.296 4.310 1.00 13.92 C ATOM 944 CD1 LEU A 113 17.998 18.714 5.623 1.00 14.27 C ATOM 945 CD2 LEU A 113 18.955 19.505 3.461 1.00 14.24 C ATOM 946 H LEU A 113 19.118 15.459 2.748 1.00 0.00 H ATOM 947 N ILE A 114 22.901 16.788 3.724 1.00 14.21 N ATOM 948 CA ILE A 114 24.169 16.101 3.993 1.00 14.83 C ATOM 949 C ILE A 114 24.242 15.776 5.484 1.00 14.74 C ATOM 950 O ILE A 114 24.331 16.664 6.333 1.00 15.25 O ATOM 951 CB ILE A 114 25.363 16.953 3.556 1.00 14.95 C ATOM 952 CG1 ILE A 114 25.259 17.288 2.046 1.00 15.07 C ATOM 953 CG2 ILE A 114 26.677 16.243 3.874 1.00 15.36 C ATOM 954 CD1 ILE A 114 26.017 18.508 1.643 1.00 15.73 C ATOM 955 H ILE A 114 22.898 17.825 3.651 1.00 0.00 H ATOM 956 N LYS A 115 24.196 14.495 5.802 1.00 16.06 N ATOM 957 CA LYS A 115 23.991 14.048 7.201 1.00 16.53 C ATOM 958 C LYS A 115 25.031 14.615 8.158 1.00 16.68 C ATOM 959 O LYS A 115 24.701 15.090 9.247 1.00 16.84 O ATOM 960 CB LYS A 115 23.967 12.517 7.262 1.00 17.67 C ATOM 961 CG LYS A 115 23.851 11.956 8.656 1.00 19.95 C ATOM 962 H LYS A 115 24.306 13.782 5.053 1.00 0.00 H ATOM 963 N ASP A 116 26.298 14.585 7.735 1.00 16.46 N ATOM 964 CA ASP A 116 27.386 15.027 8.605 1.00 17.18 C ATOM 965 C ASP A 116 27.493 16.541 8.752 1.00 16.67 C ATOM 966 O ASP A 116 28.337 17.022 9.528 1.00 17.40 O ATOM 967 CB ASP A 116 28.769 14.421 8.201 1.00 18.62 C ATOM 968 CG ASP A 116 29.096 14.636 6.743 1.00 20.66 C ATOM 969 OD1 ASP A 116 28.294 14.141 5.944 1.00 22.63 O ATOM 970 OD2 ASP A 116 30.147 15.196 6.393 1.00 22.84 O ATOM 971 H ASP A 116 26.512 14.243 6.776 1.00 0.00 H ATOM 972 N ARG A 117 26.635 17.314 8.078 1.00 15.20 N ATOM 973 CA ARG A 117 26.581 18.743 8.246 1.00 15.41 C ATOM 974 C ARG A 117 25.433 19.174 9.155 1.00 14.57 C ATOM 975 O ARG A 117 25.192 20.390 9.336 1.00 14.38 O ATOM 976 CB ARG A 117 26.506 19.407 6.878 1.00 16.18 C ATOM 977 CG ARG A 117 27.751 19.063 6.065 1.00 16.97 C ATOM 978 CD ARG A 117 27.846 19.880 4.800 1.00 17.85 C ATOM 979 NE ARG A 117 28.962 19.410 3.982 1.00 18.71 N ATOM 980 CZ ARG A 117 29.321 19.931 2.805 1.00 19.25 C ATOM 981 NH1 ARG A 117 28.682 21.000 2.293 1.00 19.35 N ATOM 982 NH2 ARG A 117 30.339 19.391 2.122 1.00 20.19 N ATOM 983 HE ARG A 117 29.519 18.609 4.343 1.00 0.00 H ATOM 984 HH12 ARG A 117 28.976 21.391 1.375 1.00 0.00 H ATOM 985 HH11 ARG A 117 27.894 21.434 2.815 1.00 0.00 H ATOM 986 HH22 ARG A 117 30.622 19.793 1.206 1.00 0.00 H ATOM 987 HH21 ARG A 117 30.847 18.570 2.508 1.00 0.00 H ATOM 988 H ARG A 117 25.981 16.865 7.406 1.00 0.00 H ATOM 989 N LEU A 118 24.730 18.192 9.728 1.00 14.36 N ATOM 990 CA LEU A 118 23.638 18.429 10.674 1.00 14.17 C ATOM 991 C LEU A 118 24.038 17.881 12.033 1.00 14.33 C ATOM 992 O LEU A 118 24.836 16.932 12.125 1.00 15.60 O ATOM 993 CB LEU A 118 22.360 17.737 10.218 1.00 15.02 C ATOM 994 CG LEU A 118 21.854 18.084 8.806 1.00 15.24 C ATOM 995 CD1 LEU A 118 20.707 17.166 8.440 1.00 15.90 C ATOM 996 CD2 LEU A 118 21.406 19.531 8.781 1.00 15.59 C ATOM 997 H LEU A 118 24.971 17.209 9.490 1.00 0.00 H ATOM 998 N ALA A 119 23.476 18.467 13.083 1.00 13.85 N ATOM 999 CA ALA A 119 23.558 17.902 14.440 1.00 14.14 C ATOM 1000 C ALA A 119 22.173 17.469 14.908 1.00 14.71 C ATOM 1001 O ALA A 119 21.250 18.233 14.767 1.00 15.01 O ATOM 1002 CB ALA A 119 24.111 18.933 15.370 1.00 14.40 C ATOM 1003 H ALA A 119 22.959 19.358 12.942 1.00 0.00 H ATOM 1004 N GLU A 120 22.048 16.283 15.475 1.00 15.56 N ATOM 1005 CA GLU A 120 20.772 15.748 15.900 1.00 17.28 C ATOM 1006 C GLU A 120 20.622 15.867 17.423 1.00 17.24 C ATOM 1007 O GLU A 120 21.569 15.623 18.137 1.00 16.67 O ATOM 1008 CB GLU A 120 20.623 14.291 15.461 1.00 19.80 C ATOM 1009 CG GLU A 120 19.191 13.785 15.605 1.00 22.27 C ATOM 1010 CD GLU A 120 18.994 12.393 15.003 1.00 25.06 C ATOM 1011 OE1 GLU A 120 19.990 11.738 14.599 1.00 27.16 O ATOM 1012 OE2 GLU A 120 17.839 11.935 14.912 1.00 27.22 O ATOM 1013 H GLU A 120 22.903 15.709 15.622 1.00 0.00 H ATOM 1014 N GLY A 121 19.435 16.181 17.911 1.00 17.32 N ATOM 1015 CA GLY A 121 19.285 16.394 19.351 1.00 17.98 C ATOM 1016 C GLY A 121 17.830 16.569 19.749 1.00 18.53 C ATOM 1017 O GLY A 121 16.916 16.320 18.970 1.00 18.09 O ATOM 1018 H GLY A 121 18.615 16.276 17.278 1.00 0.00 H ATOM 1019 N PRO A 122 17.623 16.993 20.988 1.00 20.39 N ATOM 1020 CA PRO A 122 16.283 17.005 21.551 1.00 22.33 C ATOM 1021 C PRO A 122 15.370 18.068 20.953 1.00 24.44 C ATOM 1022 O PRO A 122 15.850 19.067 20.432 1.00 25.81 O ATOM 1023 CB PRO A 122 16.534 17.251 23.039 1.00 22.05 C ATOM 1024 CG PRO A 122 17.891 17.805 23.152 1.00 21.55 C ATOM 1025 CD PRO A 122 18.660 17.325 21.982 1.00 20.35 C ATOM 1026 N ALA A 123 14.063 17.853 21.072 1.00 28.08 N ATOM 1027 CA ALA A 123 13.018 18.767 20.567 1.00 31.23 C ATOM 1028 C ALA A 123 13.050 20.196 21.135 1.00 35.27 C ATOM 1029 O ALA A 123 13.636 20.435 22.176 1.00 35.23 O ATOM 1030 CB ALA A 123 11.656 18.159 20.844 1.00 33.04 C ATOM 1031 H ALA A 123 13.756 16.983 21.553 1.00 0.00 H ATOM 1032 N ASP A 124 12.398 21.128 20.432 1.00 40.71 N ATOM 1033 CA ASP A 124 12.314 22.549 20.854 1.00 45.14 C ATOM 1034 C ASP A 124 10.867 22.921 21.219 1.00 49.04 C ATOM 1035 O ASP A 124 10.431 24.068 21.092 1.00 52.91 O ATOM 1036 CB ASP A 124 12.902 23.508 19.787 1.00 46.41 C ATOM 1037 CG ASP A 124 12.123 23.511 18.461 1.00 46.83 C ATOM 1038 OD1 ASP A 124 12.567 24.220 17.516 1.00 46.13 O ATOM 1039 OD2 ASP A 124 11.089 22.802 18.348 1.00 47.82 O ATOM 1040 OXT ASP A 124 10.084 22.079 21.663 1.00 51.01 O ATOM 1041 H ASP A 124 11.928 20.844 19.549 1.00 0.00 H TER 1042 ASP A 124 ATOM 1043 N MET B 13 44.648 -14.443 7.256 1.00 43.36 N ATOM 1044 CA MET B 13 44.348 -14.741 8.688 1.00 43.22 C ATOM 1045 C MET B 13 44.721 -13.563 9.582 1.00 41.73 C ATOM 1046 O MET B 13 45.644 -12.789 9.280 1.00 40.93 O ATOM 1047 CB MET B 13 45.070 -16.015 9.151 1.00 45.23 C ATOM 1048 CG MET B 13 44.309 -17.285 8.806 1.00 47.96 C ATOM 1049 SD MET B 13 45.330 -18.746 8.567 1.00 51.20 S ATOM 1050 CE MET B 13 45.892 -19.159 10.207 1.00 52.10 C ATOM 1051 HN3 MET B 13 45.665 -14.251 7.149 1.00 0.00 H ATOM 1052 HN2 MET B 13 44.103 -13.610 6.955 1.00 0.00 H ATOM 1053 HN1 MET B 13 44.385 -15.261 6.670 1.00 0.00 H ATOM 1054 N VAL B 14 43.983 -13.427 10.682 1.00 40.33 N ATOM 1055 CA VAL B 14 44.181 -12.342 11.654 1.00 39.18 C ATOM 1056 C VAL B 14 44.567 -13.025 12.994 1.00 39.25 C ATOM 1057 O VAL B 14 43.877 -13.944 13.452 1.00 37.92 O ATOM 1058 CB VAL B 14 42.925 -11.427 11.749 1.00 38.89 C ATOM 1059 CG1 VAL B 14 43.114 -10.347 12.807 1.00 37.88 C ATOM 1060 CG2 VAL B 14 42.584 -10.791 10.396 1.00 39.24 C ATOM 1061 H VAL B 14 43.230 -14.122 10.862 1.00 0.00 H ATOM 1062 N LEU B 15 45.769 -12.701 13.480 1.00 39.22 N ATOM 1063 CA LEU B 15 46.316 -13.320 14.681 1.00 39.83 C ATOM 1064 C LEU B 15 46.113 -12.437 15.889 1.00 39.59 C ATOM 1065 O LEU B 15 46.336 -12.870 17.030 1.00 38.84 O ATOM 1066 CB LEU B 15 47.817 -13.611 14.498 1.00 40.49 C ATOM 1067 CG LEU B 15 48.106 -14.716 13.471 1.00 42.35 C ATOM 1068 CD1 LEU B 15 49.600 -15.040 13.469 1.00 42.94 C ATOM 1069 CD2 LEU B 15 47.300 -15.998 13.696 1.00 43.39 C ATOM 1070 H LEU B 15 46.334 -11.982 12.984 1.00 0.00 H ATOM 1071 N ALA B 16 45.720 -11.192 15.656 1.00 41.13 N ATOM 1072 CA ALA B 16 45.777 -10.160 16.698 1.00 41.66 C ATOM 1073 C ALA B 16 44.696 -9.113 16.481 1.00 42.42 C ATOM 1074 O ALA B 16 44.061 -9.081 15.424 1.00 41.78 O ATOM 1075 CB ALA B 16 47.161 -9.532 16.675 1.00 42.11 C ATOM 1076 H ALA B 16 45.363 -10.941 14.712 1.00 0.00 H ATOM 1077 N PRO B 17 44.507 -8.195 17.462 1.00 43.06 N ATOM 1078 CA PRO B 17 43.663 -7.028 17.225 1.00 43.32 C ATOM 1079 C PRO B 17 44.271 -6.131 16.149 1.00 44.15 C ATOM 1080 O PRO B 17 45.498 -6.068 16.031 1.00 42.94 O ATOM 1081 CB PRO B 17 43.704 -6.299 18.572 1.00 43.41 C ATOM 1082 CG PRO B 17 44.122 -7.308 19.576 1.00 43.30 C ATOM 1083 CD PRO B 17 45.091 -8.159 18.819 1.00 43.76 C ATOM 1084 N GLY B 18 43.436 -5.496 15.340 1.00 43.75 N ATOM 1085 CA GLY B 18 43.878 -4.377 14.496 1.00 44.04 C ATOM 1086 C GLY B 18 44.978 -3.506 15.113 1.00 43.29 C ATOM 1087 O GLY B 18 45.081 -3.398 16.355 1.00 42.14 O ATOM 1088 H GLY B 18 42.441 -5.797 15.301 1.00 0.00 H ATOM 1089 N ALA B 19 45.795 -2.889 14.258 1.00 42.89 N ATOM 1090 CA ALA B 19 46.953 -2.169 14.712 1.00 42.50 C ATOM 1091 C ALA B 19 46.577 -0.898 15.410 1.00 40.68 C ATOM 1092 O ALA B 19 47.406 -0.482 16.179 1.00 45.60 O ATOM 1093 CB ALA B 19 47.914 -1.888 13.569 1.00 43.65 C ATOM 1094 H ALA B 19 45.589 -2.930 13.239 1.00 0.00 H ATOM 1095 N SER B 20 45.376 -0.334 15.197 1.00 36.65 N ATOM 1096 CA SER B 20 45.089 0.937 15.758 1.00 32.90 C ATOM 1097 C SER B 20 44.145 1.054 16.967 1.00 29.09 C ATOM 1098 O SER B 20 43.049 0.441 17.051 1.00 30.13 O ATOM 1099 CB SER B 20 44.746 2.019 14.753 1.00 32.68 C ATOM 1100 OG SER B 20 43.418 2.059 14.431 1.00 33.38 O ATOM 1101 HG SER B 20 43.261 2.783 13.774 1.00 0.00 H ATOM 1102 H SER B 20 44.661 -0.826 14.624 1.00 0.00 H ATOM 1103 N ILE B 21 44.604 1.923 17.870 1.00 24.94 N ATOM 1104 CA ILE B 21 43.929 2.183 19.127 1.00 23.06 C ATOM 1105 C ILE B 21 43.607 3.662 19.220 1.00 20.47 C ATOM 1106 O ILE B 21 44.244 4.517 18.557 1.00 21.23 O ATOM 1107 CB ILE B 21 44.740 1.670 20.336 1.00 24.30 C ATOM 1108 CG1 ILE B 21 46.086 2.350 20.452 1.00 25.74 C ATOM 1109 CG2 ILE B 21 44.857 0.143 20.202 1.00 25.43 C ATOM 1110 CD1 ILE B 21 46.736 2.048 21.794 1.00 27.41 C ATOM 1111 H ILE B 21 45.485 2.436 17.663 1.00 0.00 H ATOM 1112 N PHE B 22 42.621 3.982 20.057 1.00 17.19 N ATOM 1113 CA PHE B 22 42.303 5.340 20.424 1.00 16.34 C ATOM 1114 C PHE B 22 42.744 5.586 21.844 1.00 16.63 C ATOM 1115 O PHE B 22 42.354 4.836 22.754 1.00 15.63 O ATOM 1116 CB PHE B 22 40.795 5.575 20.298 1.00 15.70 C ATOM 1117 CG PHE B 22 40.312 5.564 18.889 1.00 16.26 C ATOM 1118 CD1 PHE B 22 39.989 4.383 18.283 1.00 16.11 C ATOM 1119 CD2 PHE B 22 40.248 6.725 18.161 1.00 16.72 C ATOM 1120 CE1 PHE B 22 39.545 4.347 16.962 1.00 16.91 C ATOM 1121 CE2 PHE B 22 39.780 6.724 16.848 1.00 17.01 C ATOM 1122 CZ PHE B 22 39.476 5.514 16.230 1.00 16.80 C ATOM 1123 H PHE B 22 42.052 3.214 20.466 1.00 0.00 H ATOM 1124 N ARG B 23 43.571 6.603 22.016 1.00 16.97 N ATOM 1125 CA ARG B 23 44.045 6.978 23.334 1.00 17.40 C ATOM 1126 C ARG B 23 43.445 8.298 23.724 1.00 17.12 C ATOM 1127 O ARG B 23 43.019 9.094 22.870 1.00 16.76 O ATOM 1128 CB ARG B 23 45.553 7.062 23.353 1.00 18.32 C ATOM 1129 CG ARG B 23 46.284 5.765 23.043 1.00 18.88 C ATOM 1130 CD ARG B 23 47.791 6.024 22.947 1.00 19.94 C ATOM 1131 NE ARG B 23 48.556 4.797 22.787 1.00 20.52 N ATOM 1132 CZ ARG B 23 48.831 3.956 23.774 1.00 21.02 C ATOM 1133 NH1 ARG B 23 48.369 4.157 25.037 1.00 20.40 N ATOM 1134 NH2 ARG B 23 49.564 2.880 23.504 1.00 21.87 N ATOM 1135 HE ARG B 23 48.910 4.565 21.837 1.00 0.00 H ATOM 1136 HH12 ARG B 23 48.602 3.479 25.790 1.00 0.00 H ATOM 1137 HH11 ARG B 23 47.782 4.989 25.250 1.00 0.00 H ATOM 1138 HH22 ARG B 23 49.794 2.204 24.260 1.00 0.00 H ATOM 1139 HH21 ARG B 23 49.907 2.714 22.536 1.00 0.00 H ATOM 1140 H ARG B 23 43.889 7.146 21.188 1.00 0.00 H ATOM 1141 N CYS B 24 43.409 8.547 25.028 1.00 16.89 N ATOM 1142 CA CYS B 24 43.003 9.858 25.514 1.00 17.53 C ATOM 1143 C CYS B 24 43.998 10.886 24.973 1.00 19.16 C ATOM 1144 O CYS B 24 45.228 10.707 25.095 1.00 18.26 O ATOM 1145 CB CYS B 24 43.069 9.859 27.039 1.00 18.37 C ATOM 1146 SG CYS B 24 42.829 11.447 27.783 1.00 18.44 S ATOM 1147 H CYS B 24 43.672 7.802 25.705 1.00 0.00 H ATOM 1148 N ARG B 25 43.471 11.933 24.350 1.00 19.50 N ATOM 1149 CA ARG B 25 44.326 12.951 23.737 1.00 21.62 C ATOM 1150 C ARG B 25 45.138 13.720 24.796 1.00 22.65 C ATOM 1151 O ARG B 25 46.236 14.199 24.510 1.00 22.18 O ATOM 1152 CB ARG B 25 43.464 13.905 22.937 1.00 23.65 C ATOM 1153 CG ARG B 25 44.210 15.078 22.327 1.00 26.59 C ATOM 1154 CD ARG B 25 43.300 15.765 21.308 1.00 28.78 C ATOM 1155 NE ARG B 25 43.061 14.903 20.171 1.00 32.18 N ATOM 1156 CZ ARG B 25 43.877 14.758 19.120 1.00 34.44 C ATOM 1157 NH1 ARG B 25 45.019 15.434 19.041 1.00 37.54 N ATOM 1158 NH2 ARG B 25 43.541 13.931 18.140 1.00 33.46 N ATOM 1159 HE ARG B 25 42.181 14.349 20.170 1.00 0.00 H ATOM 1160 HH12 ARG B 25 45.641 15.309 18.217 1.00 0.00 H ATOM 1161 HH11 ARG B 25 45.290 16.088 19.803 1.00 0.00 H ATOM 1162 HH22 ARG B 25 44.170 13.813 17.320 1.00 0.00 H ATOM 1163 HH21 ARG B 25 42.648 13.400 18.191 1.00 0.00 H ATOM 1164 H ARG B 25 42.437 12.031 24.297 1.00 0.00 H ATOM 1165 N GLN B 26 44.593 13.837 26.002 1.00 22.50 N ATOM 1166 CA GLN B 26 45.266 14.599 27.056 1.00 24.42 C ATOM 1167 C GLN B 26 46.365 13.852 27.779 1.00 23.89 C ATOM 1168 O GLN B 26 47.399 14.462 28.106 1.00 26.16 O ATOM 1169 CB GLN B 26 44.220 15.129 28.034 1.00 26.84 C ATOM 1170 CG GLN B 26 44.749 15.869 29.259 1.00 30.39 C ATOM 1171 CD GLN B 26 43.633 16.553 30.039 1.00 33.17 C ATOM 1172 OE1 GLN B 26 42.763 17.176 29.448 1.00 38.83 O ATOM 1173 NE2 GLN B 26 43.650 16.434 31.361 1.00 35.62 N ATOM 1174 HE22 GLN B 26 44.409 15.895 31.825 1.00 0.00 H ATOM 1175 HE21 GLN B 26 42.905 16.880 31.933 1.00 0.00 H ATOM 1176 H GLN B 26 43.679 13.383 26.200 1.00 0.00 H ATOM 1177 N CYS B 27 46.215 12.549 28.003 1.00 21.37 N ATOM 1178 CA CYS B 27 47.268 11.811 28.751 1.00 21.03 C ATOM 1179 C CYS B 27 47.825 10.548 28.110 1.00 20.83 C ATOM 1180 O CYS B 27 48.808 9.976 28.597 1.00 21.21 O ATOM 1181 CB CYS B 27 46.801 11.478 30.147 1.00 20.77 C ATOM 1182 SG CYS B 27 45.592 10.054 30.213 1.00 19.55 S ATOM 1183 H CYS B 27 45.369 12.051 27.658 1.00 0.00 H ATOM 1184 N GLY B 28 47.218 10.094 27.028 1.00 19.78 N ATOM 1185 CA GLY B 28 47.670 8.900 26.348 1.00 20.20 C ATOM 1186 C GLY B 28 47.164 7.563 26.798 1.00 19.96 C ATOM 1187 O GLY B 28 47.505 6.569 26.209 1.00 20.34 O ATOM 1188 H GLY B 28 46.394 10.608 26.656 1.00 0.00 H ATOM 1189 N GLN B 29 46.289 7.530 27.789 1.00 20.92 N ATOM 1190 CA GLN B 29 45.775 6.241 28.279 1.00 21.97 C ATOM 1191 C GLN B 29 45.044 5.589 27.109 1.00 20.20 C ATOM 1192 O GLN B 29 44.285 6.273 26.441 1.00 19.44 O ATOM 1193 CB GLN B 29 44.792 6.399 29.399 1.00 23.46 C ATOM 1194 CG GLN B 29 44.482 5.009 29.953 1.00 26.03 C ATOM 1195 CD GLN B 29 43.808 5.074 31.226 1.00 27.74 C ATOM 1196 OE1 GLN B 29 44.200 4.422 32.174 1.00 30.64 O ATOM 1197 NE2 GLN B 29 42.681 5.753 31.223 1.00 27.65 N ATOM 1198 HE22 GLN B 29 42.401 6.292 30.379 1.00 0.00 H ATOM 1199 HE21 GLN B 29 42.070 5.751 32.065 1.00 0.00 H ATOM 1200 H GLN B 29 45.963 8.417 28.223 1.00 0.00 H ATOM 1201 N THR B 30 45.221 4.296 26.862 1.00 18.98 N ATOM 1202 CA THR B 30 44.429 3.555 25.939 1.00 19.09 C ATOM 1203 C THR B 30 42.952 3.530 26.420 1.00 17.53 C ATOM 1204 O THR B 30 42.630 3.220 27.570 1.00 18.31 O ATOM 1205 CB THR B 30 44.958 2.136 25.785 1.00 20.21 C ATOM 1206 OG1 THR B 30 46.275 2.237 25.249 1.00 22.77 O ATOM 1207 CG2 THR B 30 44.154 1.298 24.821 1.00 21.28 C ATOM 1208 HG1 THR B 30 46.654 1.330 25.134 1.00 0.00 H ATOM 1209 H THR B 30 45.979 3.798 27.370 1.00 0.00 H ATOM 1210 N ILE B 31 42.075 3.904 25.477 1.00 16.05 N ATOM 1211 CA ILE B 31 40.635 3.962 25.731 1.00 15.56 C ATOM 1212 C ILE B 31 39.831 2.978 24.903 1.00 15.46 C ATOM 1213 O ILE B 31 38.984 2.269 25.437 1.00 15.09 O ATOM 1214 CB ILE B 31 40.094 5.386 25.517 1.00 15.22 C ATOM 1215 CG1 ILE B 31 40.800 6.397 26.413 1.00 15.88 C ATOM 1216 CG2 ILE B 31 38.566 5.446 25.736 1.00 15.20 C ATOM 1217 CD1 ILE B 31 40.646 6.196 27.903 1.00 16.28 C ATOM 1218 H ILE B 31 42.430 4.161 24.534 1.00 0.00 H ATOM 1219 N SER B 32 40.002 2.958 23.580 1.00 15.22 N ATOM 1220 CA SER B 32 39.269 1.987 22.776 1.00 15.66 C ATOM 1221 C SER B 32 40.034 1.613 21.542 1.00 17.09 C ATOM 1222 O SER B 32 41.210 1.935 21.447 1.00 17.06 O ATOM 1223 CB SER B 32 37.846 2.510 22.468 1.00 15.43 C ATOM 1224 OG SER B 32 37.010 1.463 21.990 1.00 15.80 O ATOM 1225 HG SER B 32 36.946 0.753 22.677 1.00 0.00 H ATOM 1226 H SER B 32 40.653 3.630 23.126 1.00 0.00 H ATOM 1227 N ARG B 33 39.397 0.901 20.633 1.00 18.69 N ATOM 1228 CA ARG B 33 40.107 0.327 19.496 1.00 20.68 C ATOM 1229 C ARG B 33 39.245 0.453 18.262 1.00 19.57 C ATOM 1230 O ARG B 33 38.035 0.346 18.348 1.00 17.30 O ATOM 1231 CB ARG B 33 40.331 -1.170 19.740 1.00 23.87 C ATOM 1232 CG ARG B 33 40.816 -1.615 21.118 1.00 27.67 C ATOM 1233 CD ARG B 33 41.274 -3.068 21.111 1.00 31.08 C ATOM 1234 NE ARG B 33 42.691 -3.177 21.506 1.00 36.52 N ATOM 1235 CZ ARG B 33 43.753 -3.258 20.680 1.00 39.07 C ATOM 1236 NH1 ARG B 33 44.969 -3.331 21.191 1.00 40.91 N ATOM 1237 NH2 ARG B 33 43.608 -3.212 19.344 1.00 43.86 N ATOM 1238 HE ARG B 33 42.891 -3.193 22.526 1.00 0.00 H ATOM 1239 HH12 ARG B 33 45.795 -3.394 20.562 1.00 0.00 H ATOM 1240 HH11 ARG B 33 45.101 -3.326 22.223 1.00 0.00 H ATOM 1241 HH22 ARG B 33 44.443 -3.277 18.728 1.00 0.00 H ATOM 1242 HH21 ARG B 33 42.661 -3.112 18.927 1.00 0.00 H ATOM 1243 H ARG B 33 38.373 0.747 20.728 1.00 0.00 H ATOM 1244 N ARG B 34 39.884 0.605 17.112 1.00 18.90 N ATOM 1245 CA ARG B 34 39.171 0.637 15.853 1.00 19.72 C ATOM 1246 C ARG B 34 38.322 -0.606 15.596 1.00 18.45 C ATOM 1247 O ARG B 34 37.199 -0.493 15.052 1.00 17.59 O ATOM 1248 CB ARG B 34 40.150 0.915 14.697 1.00 21.65 C ATOM 1249 CG ARG B 34 39.453 1.058 13.357 1.00 24.54 C ATOM 1250 CD ARG B 34 40.297 1.798 12.310 1.00 26.35 C ATOM 1251 NE ARG B 34 39.388 2.431 11.361 1.00 30.55 N ATOM 1252 CZ ARG B 34 38.968 3.704 11.377 1.00 29.78 C ATOM 1253 NH1 ARG B 34 39.448 4.650 12.201 1.00 29.14 N ATOM 1254 NH2 ARG B 34 38.094 4.064 10.460 1.00 33.24 N ATOM 1255 HE ARG B 34 39.028 1.832 10.591 1.00 0.00 H ATOM 1256 HH12 ARG B 34 39.072 5.619 12.156 1.00 0.00 H ATOM 1257 HH11 ARG B 34 40.195 4.414 12.884 1.00 0.00 H ATOM 1258 HH22 ARG B 34 37.740 5.042 10.434 1.00 0.00 H ATOM 1259 HH21 ARG B 34 37.758 3.371 9.762 1.00 0.00 H ATOM 1260 H ARG B 34 40.919 0.703 17.114 1.00 0.00 H ATOM 1261 N ASP B 35 38.809 -1.756 16.062 1.00 18.42 N ATOM 1262 CA ASP B 35 38.067 -3.019 15.914 1.00 19.26 C ATOM 1263 C ASP B 35 36.703 -2.966 16.605 1.00 17.51 C ATOM 1264 O ASP B 35 35.821 -3.751 16.252 1.00 17.13 O ATOM 1265 CB ASP B 35 38.827 -4.211 16.521 1.00 21.44 C ATOM 1266 CG ASP B 35 40.033 -4.638 15.739 1.00 24.50 C ATOM 1267 OD1 ASP B 35 40.180 -4.213 14.588 1.00 26.94 O ATOM 1268 OD2 ASP B 35 40.815 -5.425 16.331 1.00 27.66 O ATOM 1269 H ASP B 35 39.733 -1.761 16.540 1.00 0.00 H ATOM 1270 N TRP B 36 36.549 -2.076 17.582 1.00 15.72 N ATOM 1271 CA TRP B 36 35.335 -1.974 18.377 1.00 15.67 C ATOM 1272 C TRP B 36 34.393 -0.883 17.911 1.00 15.77 C ATOM 1273 O TRP B 36 33.374 -0.668 18.548 1.00 15.28 O ATOM 1274 CB TRP B 36 35.694 -1.749 19.846 1.00 15.04 C ATOM 1275 CG TRP B 36 36.494 -2.854 20.457 1.00 15.55 C ATOM 1276 CD1 TRP B 36 36.581 -4.154 20.021 1.00 16.07 C ATOM 1277 CD2 TRP B 36 37.217 -2.792 21.691 1.00 15.98 C ATOM 1278 NE1 TRP B 36 37.364 -4.879 20.897 1.00 16.58 N ATOM 1279 CE2 TRP B 36 37.768 -4.064 21.924 1.00 16.35 C ATOM 1280 CE3 TRP B 36 37.452 -1.778 22.629 1.00 15.94 C ATOM 1281 CZ2 TRP B 36 38.553 -4.341 23.032 1.00 17.27 C ATOM 1282 CZ3 TRP B 36 38.289 -2.054 23.734 1.00 16.42 C ATOM 1283 CH2 TRP B 36 38.801 -3.328 23.919 1.00 16.95 C ATOM 1284 HE1 TRP B 36 37.609 -5.885 20.795 1.00 0.00 H ATOM 1285 H TRP B 36 37.332 -1.423 17.787 1.00 0.00 H ATOM 1286 N LEU B 37 34.680 -0.220 16.781 1.00 16.18 N ATOM 1287 CA LEU B 37 33.729 0.723 16.228 1.00 16.95 C ATOM 1288 C LEU B 37 32.365 0.075 15.956 1.00 17.83 C ATOM 1289 O LEU B 37 32.289 -1.090 15.496 1.00 19.16 O ATOM 1290 CB LEU B 37 34.281 1.336 14.941 1.00 17.86 C ATOM 1291 CG LEU B 37 35.262 2.462 15.163 1.00 18.10 C ATOM 1292 CD1 LEU B 37 35.910 2.737 13.804 1.00 19.13 C ATOM 1293 CD2 LEU B 37 34.629 3.729 15.705 1.00 18.12 C ATOM 1294 H LEU B 37 35.588 -0.383 16.300 1.00 0.00 H ATOM 1295 N LEU B 38 31.306 0.792 16.292 1.00 17.73 N ATOM 1296 CA LEU B 38 29.970 0.221 16.311 1.00 19.01 C ATOM 1297 C LEU B 38 29.052 1.116 15.497 1.00 19.99 C ATOM 1298 O LEU B 38 28.802 2.237 15.898 1.00 19.12 O ATOM 1299 CB LEU B 38 29.466 0.152 17.781 1.00 18.99 C ATOM 1300 CG LEU B 38 28.055 -0.374 17.956 1.00 19.86 C ATOM 1301 CD1 LEU B 38 27.866 -1.787 17.477 1.00 20.96 C ATOM 1302 CD2 LEU B 38 27.677 -0.300 19.419 1.00 19.99 C ATOM 1303 H LEU B 38 31.433 1.792 16.550 1.00 0.00 H ATOM 1304 N PRO B 39 28.510 0.620 14.374 1.00 22.46 N ATOM 1305 CA PRO B 39 27.632 1.463 13.550 1.00 23.68 C ATOM 1306 C PRO B 39 26.185 1.547 14.059 1.00 25.23 C ATOM 1307 O PRO B 39 25.251 1.007 13.438 1.00 28.24 O ATOM 1308 CB PRO B 39 27.720 0.801 12.162 1.00 24.82 C ATOM 1309 CG PRO B 39 27.909 -0.626 12.491 1.00 25.05 C ATOM 1310 CD PRO B 39 28.817 -0.651 13.695 1.00 23.85 C ATOM 1311 N MET B 40 25.970 2.311 15.123 1.00 25.48 N ATOM 1312 CA MET B 40 24.633 2.522 15.700 1.00 26.37 C ATOM 1313 C MET B 40 23.762 3.315 14.762 1.00 26.86 C ATOM 1314 O MET B 40 24.174 4.372 14.293 1.00 24.93 O ATOM 1315 CB MET B 40 24.744 3.273 17.028 1.00 27.06 C ATOM 1316 CG MET B 40 25.310 2.441 18.169 1.00 28.49 C ATOM 1317 SD MET B 40 24.343 0.932 18.624 1.00 31.88 S ATOM 1318 CE MET B 40 22.816 1.692 19.166 1.00 30.79 C ATOM 1319 H MET B 40 26.783 2.782 15.569 1.00 0.00 H ATOM 1320 N GLY B 41 22.559 2.806 14.466 1.00 28.05 N ATOM 1321 CA GLY B 41 21.723 3.425 13.457 1.00 30.05 C ATOM 1322 C GLY B 41 22.382 3.582 12.098 1.00 31.13 C ATOM 1323 O GLY B 41 22.047 4.516 11.382 1.00 34.43 O ATOM 1324 H GLY B 41 22.222 1.958 14.965 1.00 0.00 H ATOM 1325 N GLY B 42 23.307 2.691 11.746 1.00 30.23 N ATOM 1326 CA GLY B 42 23.937 2.666 10.434 1.00 29.68 C ATOM 1327 C GLY B 42 25.209 3.488 10.262 1.00 29.41 C ATOM 1328 O GLY B 42 25.746 3.563 9.147 1.00 30.15 O ATOM 1329 H GLY B 42 23.594 1.976 12.445 1.00 0.00 H ATOM 1330 N ASP B 43 25.664 4.146 11.332 1.00 26.15 N ATOM 1331 CA ASP B 43 26.841 5.035 11.237 1.00 25.02 C ATOM 1332 C ASP B 43 27.574 4.959 12.541 1.00 22.59 C ATOM 1333 O ASP B 43 26.929 5.074 13.565 1.00 22.05 O ATOM 1334 CB ASP B 43 26.421 6.494 10.998 1.00 26.09 C ATOM 1335 CG ASP B 43 27.536 7.339 10.370 1.00 27.16 C ATOM 1336 OD1 ASP B 43 28.735 7.023 10.509 1.00 26.92 O ATOM 1337 OD2 ASP B 43 27.187 8.370 9.751 1.00 29.81 O ATOM 1338 H ASP B 43 25.182 4.031 12.246 1.00 0.00 H ATOM 1339 N HIS B 44 28.900 4.822 12.550 1.00 21.51 N ATOM 1340 CA HIS B 44 29.632 4.955 13.812 1.00 19.94 C ATOM 1341 C HIS B 44 29.766 6.405 14.258 1.00 18.09 C ATOM 1342 O HIS B 44 29.919 6.624 15.451 1.00 16.53 O ATOM 1343 CB HIS B 44 31.004 4.232 13.807 1.00 21.23 C ATOM 1344 CG HIS B 44 31.998 4.790 12.838 1.00 23.76 C ATOM 1345 ND1 HIS B 44 32.649 5.982 13.041 1.00 25.27 N ATOM 1346 CD2 HIS B 44 32.500 4.285 11.684 1.00 26.14 C ATOM 1347 CE1 HIS B 44 33.469 6.220 12.034 1.00 25.79 C ATOM 1348 NE2 HIS B 44 33.417 5.198 11.207 1.00 27.99 N ATOM 1349 H HIS B 44 29.411 4.622 11.667 1.00 0.00 H ATOM 1350 N GLU B 45 29.627 7.371 13.344 1.00 16.46 N ATOM 1351 CA GLU B 45 29.665 8.793 13.705 1.00 16.16 C ATOM 1352 C GLU B 45 28.301 9.404 13.847 1.00 16.08 C ATOM 1353 O GLU B 45 27.474 9.223 12.970 1.00 15.40 O ATOM 1354 CB GLU B 45 30.429 9.621 12.671 1.00 16.64 C ATOM 1355 CG GLU B 45 30.565 11.097 13.028 1.00 16.53 C ATOM 1356 CD GLU B 45 31.485 11.847 12.092 1.00 17.20 C ATOM 1357 OE1 GLU B 45 32.725 11.655 12.188 1.00 17.20 O ATOM 1358 OE2 GLU B 45 30.971 12.635 11.294 1.00 17.63 O ATOM 1359 H GLU B 45 29.488 7.107 12.348 1.00 0.00 H ATOM 1360 N HIS B 46 28.082 10.113 14.960 1.00 15.58 N ATOM 1361 CA HIS B 46 26.846 10.826 15.221 1.00 16.27 C ATOM 1362 C HIS B 46 27.199 12.218 15.688 1.00 15.27 C ATOM 1363 O HIS B 46 27.839 12.393 16.717 1.00 15.39 O ATOM 1364 CB HIS B 46 26.052 10.089 16.290 1.00 17.47 C ATOM 1365 CG HIS B 46 25.567 8.751 15.843 1.00 19.24 C ATOM 1366 ND1 HIS B 46 24.253 8.536 15.520 1.00 21.79 N ATOM 1367 CD2 HIS B 46 26.197 7.567 15.658 1.00 20.21 C ATOM 1368 CE1 HIS B 46 24.086 7.279 15.144 1.00 21.96 C ATOM 1369 NE2 HIS B 46 25.244 6.661 15.240 1.00 20.64 N ATOM 1370 H HIS B 46 28.836 10.155 15.675 1.00 0.00 H ATOM 1371 N VAL B 47 26.793 13.227 14.936 1.00 14.38 N ATOM 1372 CA VAL B 47 26.895 14.617 15.346 1.00 14.45 C ATOM 1373 C VAL B 47 25.586 14.975 16.046 1.00 14.61 C ATOM 1374 O VAL B 47 24.506 14.810 15.493 1.00 15.14 O ATOM 1375 CB VAL B 47 27.155 15.567 14.184 1.00 14.53 C ATOM 1376 CG1 VAL B 47 27.301 16.991 14.667 1.00 14.24 C ATOM 1377 CG2 VAL B 47 28.420 15.143 13.407 1.00 14.57 C ATOM 1378 H VAL B 47 26.380 13.015 14.005 1.00 0.00 H ATOM 1379 N VAL B 48 25.712 15.444 17.274 1.00 14.46 N ATOM 1380 CA VAL B 48 24.589 15.548 18.197 1.00 14.47 C ATOM 1381 C VAL B 48 24.686 16.841 18.984 1.00 14.44 C ATOM 1382 O VAL B 48 25.733 17.495 19.024 1.00 14.25 O ATOM 1383 CB VAL B 48 24.539 14.348 19.161 1.00 14.43 C ATOM 1384 CG1 VAL B 48 24.173 13.065 18.431 1.00 14.99 C ATOM 1385 CG2 VAL B 48 25.853 14.211 19.908 1.00 14.75 C ATOM 1386 H VAL B 48 26.652 15.752 17.596 1.00 0.00 H ATOM 1387 N PHE B 49 23.581 17.251 19.598 1.00 14.22 N ATOM 1388 CA PHE B 49 23.630 18.394 20.512 1.00 14.51 C ATOM 1389 C PHE B 49 22.838 18.066 21.764 1.00 14.46 C ATOM 1390 O PHE B 49 21.852 17.293 21.732 1.00 14.56 O ATOM 1391 CB PHE B 49 23.172 19.714 19.865 1.00 14.87 C ATOM 1392 CG PHE B 49 21.741 19.710 19.431 1.00 15.40 C ATOM 1393 CD1 PHE B 49 20.724 20.133 20.290 1.00 15.56 C ATOM 1394 CD2 PHE B 49 21.388 19.280 18.156 1.00 15.66 C ATOM 1395 CE1 PHE B 49 19.399 20.092 19.896 1.00 16.19 C ATOM 1396 CE2 PHE B 49 20.065 19.252 17.751 1.00 16.08 C ATOM 1397 CZ PHE B 49 19.062 19.654 18.621 1.00 16.44 C ATOM 1398 H PHE B 49 22.680 16.759 19.429 1.00 0.00 H ATOM 1399 N ASN B 50 23.299 18.617 22.884 1.00 14.14 N ATOM 1400 CA ASN B 50 22.641 18.383 24.170 1.00 14.34 C ATOM 1401 C ASN B 50 21.578 19.500 24.441 1.00 14.56 C ATOM 1402 O ASN B 50 21.390 20.424 23.653 1.00 14.22 O ATOM 1403 CB ASN B 50 23.668 18.210 25.304 1.00 14.96 C ATOM 1404 CG ASN B 50 24.394 19.483 25.688 1.00 15.33 C ATOM 1405 OD1 ASN B 50 24.063 20.583 25.264 1.00 15.87 O ATOM 1406 ND2 ASN B 50 25.433 19.317 26.529 1.00 16.17 N ATOM 1407 HD22 ASN B 50 25.682 18.365 26.866 1.00 0.00 H ATOM 1408 HD21 ASN B 50 25.986 20.141 26.841 1.00 0.00 H ATOM 1409 H ASN B 50 24.142 19.225 22.845 1.00 0.00 H ATOM 1410 N PRO B 51 20.860 19.401 25.585 1.00 15.19 N ATOM 1411 CA PRO B 51 19.820 20.401 25.836 1.00 15.63 C ATOM 1412 C PRO B 51 20.348 21.826 26.056 1.00 15.82 C ATOM 1413 O PRO B 51 19.585 22.787 25.911 1.00 17.26 O ATOM 1414 CB PRO B 51 19.115 19.883 27.083 1.00 15.87 C ATOM 1415 CG PRO B 51 19.396 18.441 27.115 1.00 15.85 C ATOM 1416 CD PRO B 51 20.766 18.268 26.517 1.00 15.58 C ATOM 1417 N ALA B 52 21.628 21.957 26.397 1.00 15.77 N ATOM 1418 CA ALA B 52 22.263 23.251 26.549 1.00 15.92 C ATOM 1419 C ALA B 52 22.781 23.789 25.223 1.00 15.78 C ATOM 1420 O ALA B 52 23.377 24.858 25.203 1.00 15.85 O ATOM 1421 CB ALA B 52 23.397 23.164 27.559 1.00 16.30 C ATOM 1422 H ALA B 52 22.193 21.099 26.560 1.00 0.00 H ATOM 1423 N GLY B 53 22.541 23.057 24.143 1.00 15.82 N ATOM 1424 CA GLY B 53 22.968 23.454 22.790 1.00 16.30 C ATOM 1425 C GLY B 53 24.426 23.187 22.465 1.00 16.54 C ATOM 1426 O GLY B 53 24.909 23.637 21.412 1.00 16.78 O ATOM 1427 H GLY B 53 22.027 22.160 24.257 1.00 0.00 H ATOM 1428 N MET B 54 25.129 22.439 23.299 1.00 16.89 N ATOM 1429 CA MET B 54 26.527 22.081 22.988 1.00 18.10 C ATOM 1430 C MET B 54 26.530 20.988 21.921 1.00 16.58 C ATOM 1431 O MET B 54 25.791 20.022 22.024 1.00 14.91 O ATOM 1432 CB MET B 54 27.263 21.595 24.231 1.00 21.23 C ATOM 1433 CG MET B 54 27.496 22.677 25.260 1.00 25.40 C ATOM 1434 SD MET B 54 28.644 23.978 24.746 1.00 33.63 S ATOM 1435 CE MET B 54 29.853 23.123 23.761 1.00 31.49 C ATOM 1436 H MET B 54 24.694 22.100 24.181 1.00 0.00 H ATOM 1437 N ILE B 55 27.352 21.170 20.890 1.00 15.74 N ATOM 1438 CA ILE B 55 27.441 20.202 19.778 1.00 15.62 C ATOM 1439 C ILE B 55 28.620 19.290 19.987 1.00 15.57 C ATOM 1440 O ILE B 55 29.702 19.761 20.350 1.00 16.32 O ATOM 1441 CB ILE B 55 27.560 20.940 18.415 1.00 16.08 C ATOM 1442 CG1 ILE B 55 26.264 21.721 18.196 1.00 16.43 C ATOM 1443 CG2 ILE B 55 27.786 19.958 17.273 1.00 15.79 C ATOM 1444 CD1 ILE B 55 26.271 22.691 17.074 1.00 17.38 C ATOM 1445 H ILE B 55 27.950 22.020 20.867 1.00 0.00 H ATOM 1446 N PHE B 56 28.440 18.003 19.733 1.00 14.71 N ATOM 1447 CA PHE B 56 29.514 17.005 19.851 1.00 14.98 C ATOM 1448 C PHE B 56 29.541 16.106 18.651 1.00 14.90 C ATOM 1449 O PHE B 56 28.486 15.781 18.107 1.00 14.08 O ATOM 1450 CB PHE B 56 29.321 16.087 21.081 1.00 15.39 C ATOM 1451 CG PHE B 56 29.269 16.820 22.394 1.00 16.01 C ATOM 1452 CD1 PHE B 56 28.050 17.269 22.888 1.00 16.85 C ATOM 1453 CD2 PHE B 56 30.422 17.071 23.145 1.00 16.94 C ATOM 1454 CE1 PHE B 56 27.974 17.938 24.100 1.00 17.19 C ATOM 1455 CE2 PHE B 56 30.343 17.781 24.334 1.00 17.37 C ATOM 1456 CZ PHE B 56 29.118 18.190 24.812 1.00 17.84 C ATOM 1457 H PHE B 56 27.496 17.683 19.436 1.00 0.00 H ATOM 1458 N ARG B 57 30.721 15.664 18.260 1.00 14.44 N ATOM 1459 CA ARG B 57 30.860 14.653 17.222 1.00 15.34 C ATOM 1460 C ARG B 57 31.306 13.397 17.900 1.00 14.69 C ATOM 1461 O ARG B 57 32.443 13.291 18.361 1.00 14.90 O ATOM 1462 CB ARG B 57 31.812 15.098 16.092 1.00 16.06 C ATOM 1463 CG ARG B 57 31.970 14.063 14.993 1.00 16.95 C ATOM 1464 CD ARG B 57 32.645 14.666 13.788 1.00 17.54 C ATOM 1465 NE ARG B 57 34.022 15.061 14.138 1.00 18.05 N ATOM 1466 CZ ARG B 57 35.139 14.427 13.797 1.00 18.41 C ATOM 1467 NH1 ARG B 57 35.114 13.333 13.093 1.00 18.99 N ATOM 1468 NH2 ARG B 57 36.318 14.900 14.203 1.00 19.51 N ATOM 1469 HE ARG B 57 34.130 15.923 14.710 1.00 0.00 H ATOM 1470 HH12 ARG B 57 36.003 12.857 12.840 1.00 0.00 H ATOM 1471 HH11 ARG B 57 34.205 12.935 12.783 1.00 0.00 H ATOM 1472 HH22 ARG B 57 37.195 14.407 13.939 1.00 0.00 H ATOM 1473 HH21 ARG B 57 36.361 15.762 14.784 1.00 0.00 H ATOM 1474 H ARG B 57 31.577 16.049 18.707 1.00 0.00 H ATOM 1475 N VAL B 58 30.407 12.423 17.996 1.00 14.97 N ATOM 1476 CA VAL B 58 30.575 11.222 18.780 1.00 15.74 C ATOM 1477 C VAL B 58 30.815 10.043 17.856 1.00 15.09 C ATOM 1478 O VAL B 58 30.171 9.900 16.820 1.00 15.43 O ATOM 1479 CB VAL B 58 29.266 10.999 19.628 1.00 17.96 C ATOM 1480 CG1 VAL B 58 29.135 9.616 20.175 1.00 19.59 C ATOM 1481 CG2 VAL B 58 29.249 12.044 20.753 1.00 18.91 C ATOM 1482 H VAL B 58 29.518 12.534 17.468 1.00 0.00 H ATOM 1483 N TRP B 59 31.751 9.193 18.224 1.00 14.52 N ATOM 1484 CA TRP B 59 31.978 7.894 17.577 1.00 14.35 C ATOM 1485 C TRP B 59 31.533 6.808 18.533 1.00 14.16 C ATOM 1486 O TRP B 59 31.894 6.840 19.697 1.00 13.24 O ATOM 1487 CB TRP B 59 33.453 7.714 17.185 1.00 15.09 C ATOM 1488 CG TRP B 59 33.796 8.416 15.890 1.00 15.35 C ATOM 1489 CD1 TRP B 59 33.144 9.502 15.330 1.00 15.76 C ATOM 1490 CD2 TRP B 59 34.855 8.094 14.991 1.00 15.73 C ATOM 1491 NE1 TRP B 59 33.746 9.855 14.149 1.00 15.91 N ATOM 1492 CE2 TRP B 59 34.775 8.995 13.902 1.00 16.17 C ATOM 1493 CE3 TRP B 59 35.853 7.126 14.988 1.00 16.21 C ATOM 1494 CZ2 TRP B 59 35.683 8.961 12.842 1.00 16.74 C ATOM 1495 CZ3 TRP B 59 36.737 7.085 13.933 1.00 16.64 C ATOM 1496 CH2 TRP B 59 36.639 7.988 12.873 1.00 17.14 C ATOM 1497 HE1 TRP B 59 33.463 10.650 13.541 1.00 0.00 H ATOM 1498 H TRP B 59 32.366 9.457 19.020 1.00 0.00 H ATOM 1499 N CYS B 60 30.796 5.822 18.033 1.00 13.95 N ATOM 1500 CA CYS B 60 30.293 4.757 18.871 1.00 14.40 C ATOM 1501 C CYS B 60 31.250 3.571 18.868 1.00 14.09 C ATOM 1502 O CYS B 60 31.705 3.134 17.785 1.00 14.51 O ATOM 1503 CB CYS B 60 28.954 4.293 18.363 1.00 15.08 C ATOM 1504 SG CYS B 60 27.687 5.580 18.540 1.00 18.08 S ATOM 1505 H CYS B 60 30.576 5.816 17.017 1.00 0.00 H ATOM 1506 N PHE B 61 31.512 3.045 20.069 1.00 13.69 N ATOM 1507 CA PHE B 61 32.380 1.873 20.255 1.00 13.63 C ATOM 1508 C PHE B 61 31.659 0.853 21.115 1.00 13.87 C ATOM 1509 O PHE B 61 30.960 1.216 22.043 1.00 13.93 O ATOM 1510 CB PHE B 61 33.663 2.256 20.971 1.00 13.57 C ATOM 1511 CG PHE B 61 34.568 3.172 20.189 1.00 13.72 C ATOM 1512 CD1 PHE B 61 34.422 4.542 20.206 1.00 13.97 C ATOM 1513 CD2 PHE B 61 35.607 2.623 19.435 1.00 14.10 C ATOM 1514 CE1 PHE B 61 35.293 5.373 19.532 1.00 14.33 C ATOM 1515 CE2 PHE B 61 36.495 3.449 18.761 1.00 14.32 C ATOM 1516 CZ PHE B 61 36.350 4.818 18.805 1.00 14.49 C ATOM 1517 H PHE B 61 31.083 3.484 20.908 1.00 0.00 H ATOM 1518 N SER B 62 31.819 -0.419 20.836 1.00 13.88 N ATOM 1519 CA SER B 62 31.129 -1.463 21.603 1.00 14.32 C ATOM 1520 C SER B 62 31.653 -1.557 23.026 1.00 14.63 C ATOM 1521 O SER B 62 30.895 -1.852 23.957 1.00 15.52 O ATOM 1522 CB SER B 62 31.291 -2.810 20.924 1.00 14.72 C ATOM 1523 OG SER B 62 32.672 -3.090 20.766 1.00 14.87 O ATOM 1524 HG SER B 62 33.089 -2.385 20.210 1.00 0.00 H ATOM 1525 H SER B 62 32.448 -0.693 20.055 1.00 0.00 H ATOM 1526 N LEU B 63 32.958 -1.335 23.185 1.00 13.96 N ATOM 1527 CA LEU B 63 33.643 -1.464 24.461 1.00 14.14 C ATOM 1528 C LEU B 63 34.653 -0.343 24.571 1.00 14.37 C ATOM 1529 O LEU B 63 35.033 0.296 23.566 1.00 14.52 O ATOM 1530 CB LEU B 63 34.438 -2.773 24.507 1.00 14.76 C ATOM 1531 CG LEU B 63 33.703 -4.107 24.347 1.00 15.60 C ATOM 1532 CD1 LEU B 63 34.728 -5.235 24.283 1.00 16.78 C ATOM 1533 CD2 LEU B 63 32.645 -4.367 25.390 1.00 16.18 C ATOM 1534 H LEU B 63 33.515 -1.055 22.353 1.00 0.00 H ATOM 1535 N ALA B 64 35.113 -0.125 25.793 1.00 14.70 N ATOM 1536 CA ALA B 64 36.186 0.820 26.092 1.00 14.98 C ATOM 1537 C ALA B 64 36.820 0.413 27.394 1.00 16.11 C ATOM 1538 O ALA B 64 36.301 -0.475 28.088 1.00 16.56 O ATOM 1539 CB ALA B 64 35.666 2.245 26.194 1.00 15.17 C ATOM 1540 H ALA B 64 34.688 -0.654 26.581 1.00 0.00 H ATOM 1541 N GLN B 65 37.947 1.028 27.703 1.00 16.23 N ATOM 1542 CA GLN B 65 38.669 0.779 28.936 1.00 18.26 C ATOM 1543 C GLN B 65 39.264 2.075 29.402 1.00 17.41 C ATOM 1544 O GLN B 65 39.350 3.045 28.671 1.00 16.31 O ATOM 1545 CB GLN B 65 39.806 -0.235 28.765 1.00 20.60 C ATOM 1546 CG GLN B 65 40.765 0.133 27.650 1.00 22.88 C ATOM 1547 CD GLN B 65 41.657 -1.042 27.304 1.00 26.08 C ATOM 1548 OE1 GLN B 65 41.256 -2.010 26.628 1.00 29.03 O ATOM 1549 NE2 GLN B 65 42.849 -0.980 27.804 1.00 28.44 N ATOM 1550 HE22 GLN B 65 43.137 -0.150 28.361 1.00 0.00 H ATOM 1551 HE21 GLN B 65 43.519 -1.760 27.648 1.00 0.00 H ATOM 1552 H GLN B 65 38.334 1.722 27.032 1.00 0.00 H ATOM 1553 N GLY B 66 39.674 2.076 30.665 1.00 17.53 N ATOM 1554 CA GLY B 66 40.376 3.222 31.218 1.00 17.53 C ATOM 1555 C GLY B 66 39.539 4.445 31.510 1.00 16.87 C ATOM 1556 O GLY B 66 40.102 5.489 31.847 1.00 17.31 O ATOM 1557 H GLY B 66 39.491 1.247 31.265 1.00 0.00 H ATOM 1558 N LEU B 67 38.219 4.316 31.440 1.00 15.92 N ATOM 1559 CA LEU B 67 37.338 5.440 31.754 1.00 16.04 C ATOM 1560 C LEU B 67 36.817 5.294 33.176 1.00 16.55 C ATOM 1561 O LEU B 67 37.008 4.252 33.793 1.00 17.24 O ATOM 1562 CB LEU B 67 36.149 5.468 30.776 1.00 15.23 C ATOM 1563 CG LEU B 67 36.518 5.612 29.293 1.00 15.26 C ATOM 1564 CD1 LEU B 67 35.407 5.199 28.379 1.00 15.03 C ATOM 1565 CD2 LEU B 67 36.936 7.028 28.967 1.00 15.65 C ATOM 1566 H LEU B 67 37.807 3.404 31.158 1.00 0.00 H ATOM 1567 N ARG B 68 36.192 6.343 33.675 1.00 17.46 N ATOM 1568 CA ARG B 68 35.441 6.318 34.930 1.00 18.79 C ATOM 1569 C ARG B 68 34.086 6.903 34.633 1.00 18.01 C ATOM 1570 O ARG B 68 33.968 8.031 34.147 1.00 17.75 O ATOM 1571 CB ARG B 68 36.150 7.157 35.979 1.00 21.25 C ATOM 1572 CG ARG B 68 35.489 7.218 37.308 1.00 23.41 C ATOM 1573 CD ARG B 68 35.511 5.884 38.029 1.00 26.11 C ATOM 1574 NE ARG B 68 34.715 5.941 39.259 1.00 28.39 N ATOM 1575 CZ ARG B 68 35.165 6.302 40.468 1.00 30.36 C ATOM 1576 NH1 ARG B 68 36.439 6.645 40.665 1.00 31.82 N ATOM 1577 NH2 ARG B 68 34.315 6.312 41.490 1.00 32.16 N ATOM 1578 HE ARG B 68 33.712 5.678 39.186 1.00 0.00 H ATOM 1579 HH12 ARG B 68 36.762 6.921 41.614 1.00 0.00 H ATOM 1580 HH11 ARG B 68 37.109 6.636 39.870 1.00 0.00 H ATOM 1581 HH22 ARG B 68 34.644 6.589 42.437 1.00 0.00 H ATOM 1582 HH21 ARG B 68 33.321 6.043 41.343 1.00 0.00 H ATOM 1583 H ARG B 68 36.236 7.238 33.147 1.00 0.00 H ATOM 1584 N LEU B 69 33.048 6.115 34.881 1.00 17.41 N ATOM 1585 CA LEU B 69 31.676 6.510 34.644 1.00 18.98 C ATOM 1586 C LEU B 69 31.145 7.135 35.912 1.00 20.32 C ATOM 1587 O LEU B 69 31.329 6.586 37.019 1.00 21.45 O ATOM 1588 CB LEU B 69 30.850 5.292 34.240 1.00 18.60 C ATOM 1589 CG LEU B 69 31.408 4.505 33.050 1.00 19.12 C ATOM 1590 CD1 LEU B 69 30.500 3.400 32.640 1.00 19.74 C ATOM 1591 CD2 LEU B 69 31.765 5.351 31.878 1.00 18.98 C ATOM 1592 H LEU B 69 33.229 5.166 35.265 1.00 0.00 H ATOM 1593 N ILE B 70 30.536 8.304 35.791 1.00 21.35 N ATOM 1594 CA ILE B 70 30.154 9.099 36.949 1.00 23.70 C ATOM 1595 C ILE B 70 28.635 9.224 37.004 1.00 24.08 C ATOM 1596 O ILE B 70 27.988 9.492 36.001 1.00 23.98 O ATOM 1597 CB ILE B 70 30.731 10.520 36.869 1.00 26.44 C ATOM 1598 CG1 ILE B 70 32.264 10.539 36.619 1.00 29.13 C ATOM 1599 CG2 ILE B 70 30.297 11.342 38.090 1.00 28.37 C ATOM 1600 CD1 ILE B 70 33.070 9.951 37.736 1.00 29.50 C ATOM 1601 H ILE B 70 30.324 8.666 34.839 1.00 0.00 H ATOM 1602 N GLY B 71 28.067 9.024 38.181 1.00 24.49 N ATOM 1603 CA GLY B 71 26.655 9.251 38.403 1.00 25.61 C ATOM 1604 C GLY B 71 25.815 8.043 38.059 1.00 25.33 C ATOM 1605 O GLY B 71 26.318 6.998 37.619 1.00 28.30 O ATOM 1606 H GLY B 71 28.654 8.693 38.973 1.00 0.00 H ATOM 1607 N ALA B 72 24.505 8.178 38.298 1.00 25.96 N ATOM 1608 CA ALA B 72 23.548 7.135 37.975 1.00 24.68 C ATOM 1609 C ALA B 72 23.122 7.309 36.520 1.00 22.90 C ATOM 1610 O ALA B 72 23.124 8.446 36.017 1.00 23.67 O ATOM 1611 CB ALA B 72 22.344 7.218 38.876 1.00 25.62 C ATOM 1612 H ALA B 72 24.161 9.060 38.730 1.00 0.00 H ATOM 1613 N PRO B 73 22.757 6.220 35.839 1.00 22.60 N ATOM 1614 CA PRO B 73 22.300 6.353 34.447 1.00 21.26 C ATOM 1615 C PRO B 73 21.034 7.186 34.337 1.00 20.80 C ATOM 1616 O PRO B 73 20.199 7.198 35.275 1.00 20.59 O ATOM 1617 CB PRO B 73 22.002 4.922 34.024 1.00 22.25 C ATOM 1618 CG PRO B 73 22.719 4.053 35.012 1.00 23.45 C ATOM 1619 CD PRO B 73 22.769 4.823 36.286 1.00 23.01 C ATOM 1620 N SER B 74 20.910 7.916 33.223 1.00 19.75 N ATOM 1621 CA SER B 74 19.754 8.752 32.985 1.00 19.85 C ATOM 1622 C SER B 74 19.245 8.492 31.580 1.00 19.82 C ATOM 1623 O SER B 74 20.052 8.381 30.644 1.00 18.37 O ATOM 1624 CB SER B 74 20.116 10.224 33.126 1.00 20.62 C ATOM 1625 OG SER B 74 19.012 11.050 32.764 1.00 21.96 O ATOM 1626 HG SER B 74 19.267 12.002 32.862 1.00 0.00 H ATOM 1627 H SER B 74 21.665 7.882 32.509 1.00 0.00 H ATOM 1628 N GLY B 75 17.913 8.450 31.443 1.00 20.23 N ATOM 1629 CA GLY B 75 17.286 8.374 30.150 1.00 20.56 C ATOM 1630 C GLY B 75 17.025 9.710 29.492 1.00 20.81 C ATOM 1631 O GLY B 75 16.683 9.759 28.295 1.00 22.71 O ATOM 1632 H GLY B 75 17.316 8.473 32.294 1.00 0.00 H ATOM 1633 N GLU B 76 17.222 10.803 30.227 1.00 20.61 N ATOM 1634 CA GLU B 76 16.828 12.149 29.741 1.00 21.27 C ATOM 1635 C GLU B 76 17.589 12.563 28.516 1.00 20.73 C ATOM 1636 O GLU B 76 18.844 12.572 28.577 1.00 21.26 O ATOM 1637 CB GLU B 76 17.192 13.210 30.772 1.00 22.45 C ATOM 1638 CG GLU B 76 16.407 13.162 32.042 1.00 24.54 C ATOM 1639 CD GLU B 76 15.147 13.983 31.949 1.00 26.52 C ATOM 1640 OE1 GLU B 76 14.854 14.532 30.858 1.00 27.18 O ATOM 1641 OE2 GLU B 76 14.454 14.037 32.975 1.00 28.99 O ATOM 1642 H GLU B 76 17.663 10.711 31.165 1.00 0.00 H ATOM 1643 N PHE B 77 16.886 12.877 27.423 1.00 19.32 N ATOM 1644 CA PHE B 77 17.487 13.335 26.167 1.00 19.83 C ATOM 1645 C PHE B 77 18.582 12.444 25.617 1.00 18.11 C ATOM 1646 O PHE B 77 19.479 12.890 24.900 1.00 16.92 O ATOM 1647 CB PHE B 77 17.929 14.768 26.297 1.00 22.22 C ATOM 1648 CG PHE B 77 16.848 15.678 26.848 1.00 23.45 C ATOM 1649 CD1 PHE B 77 15.658 15.896 26.123 1.00 25.41 C ATOM 1650 CD2 PHE B 77 16.983 16.262 28.088 1.00 26.37 C ATOM 1651 CE1 PHE B 77 14.660 16.686 26.631 1.00 26.59 C ATOM 1652 CE2 PHE B 77 16.008 17.098 28.587 1.00 26.10 C ATOM 1653 CZ PHE B 77 14.828 17.284 27.882 1.00 27.18 C ATOM 1654 H PHE B 77 15.850 12.791 27.467 1.00 0.00 H ATOM 1655 N SER B 78 18.454 11.143 25.875 1.00 17.14 N ATOM 1656 CA SER B 78 19.401 10.194 25.304 1.00 16.88 C ATOM 1657 C SER B 78 19.427 10.306 23.771 1.00 16.40 C ATOM 1658 O SER B 78 18.343 10.280 23.123 1.00 17.50 O ATOM 1659 CB SER B 78 19.032 8.775 25.661 1.00 17.17 C ATOM 1660 OG SER B 78 20.029 7.912 25.118 1.00 17.19 O ATOM 1661 HG SER B 78 19.808 6.973 25.340 1.00 0.00 H ATOM 1662 H SER B 78 17.680 10.806 26.482 1.00 0.00 H ATOM 1663 N TRP B 79 20.634 10.388 23.204 1.00 15.73 N ATOM 1664 CA TRP B 79 20.778 10.439 21.753 1.00 16.19 C ATOM 1665 C TRP B 79 20.480 9.078 21.081 1.00 17.13 C ATOM 1666 O TRP B 79 20.357 9.014 19.846 1.00 18.68 O ATOM 1667 CB TRP B 79 22.174 10.917 21.354 1.00 15.36 C ATOM 1668 CG TRP B 79 22.477 12.314 21.777 1.00 14.95 C ATOM 1669 CD1 TRP B 79 21.661 13.411 21.615 1.00 15.01 C ATOM 1670 CD2 TRP B 79 23.664 12.793 22.396 1.00 14.59 C ATOM 1671 NE1 TRP B 79 22.264 14.513 22.117 1.00 14.89 N ATOM 1672 CE2 TRP B 79 23.505 14.181 22.584 1.00 14.62 C ATOM 1673 CE3 TRP B 79 24.855 12.189 22.813 1.00 14.27 C ATOM 1674 CZ2 TRP B 79 24.475 14.980 23.202 1.00 14.84 C ATOM 1675 CZ3 TRP B 79 25.843 12.993 23.407 1.00 14.22 C ATOM 1676 CH2 TRP B 79 25.646 14.371 23.579 1.00 14.90 C ATOM 1677 HE1 TRP B 79 21.848 15.466 22.144 1.00 0.00 H ATOM 1678 H TRP B 79 21.482 10.416 23.805 1.00 0.00 H ATOM 1679 N PHE B 80 20.392 8.001 21.876 1.00 17.29 N ATOM 1680 CA PHE B 80 20.192 6.674 21.355 1.00 18.19 C ATOM 1681 C PHE B 80 18.970 6.085 22.013 1.00 18.85 C ATOM 1682 O PHE B 80 18.970 5.780 23.189 1.00 18.25 O ATOM 1683 CB PHE B 80 21.452 5.821 21.563 1.00 17.89 C ATOM 1684 CG PHE B 80 22.660 6.394 20.877 1.00 17.69 C ATOM 1685 CD1 PHE B 80 22.882 6.171 19.527 1.00 18.17 C ATOM 1686 CD2 PHE B 80 23.555 7.177 21.572 1.00 17.62 C ATOM 1687 CE1 PHE B 80 23.974 6.764 18.888 1.00 18.01 C ATOM 1688 CE2 PHE B 80 24.661 7.721 20.964 1.00 17.56 C ATOM 1689 CZ PHE B 80 24.856 7.538 19.608 1.00 18.10 C ATOM 1690 H PHE B 80 20.471 8.129 22.905 1.00 0.00 H ATOM 1691 N LYS B 81 17.914 5.947 21.216 1.00 20.98 N ATOM 1692 CA LYS B 81 16.627 5.495 21.721 1.00 22.68 C ATOM 1693 C LYS B 81 16.751 4.131 22.389 1.00 21.72 C ATOM 1694 O LYS B 81 17.369 3.205 21.851 1.00 22.33 O ATOM 1695 CB LYS B 81 15.637 5.426 20.556 1.00 26.09 C ATOM 1696 CG LYS B 81 14.235 5.031 20.949 1.00 29.11 C ATOM 1697 CD LYS B 81 13.275 5.312 19.779 1.00 32.13 C ATOM 1698 CE LYS B 81 12.219 4.231 19.638 1.00 35.17 C ATOM 1699 NZ LYS B 81 12.820 2.893 19.336 1.00 37.56 N ATOM 1700 HZ1 LYS B 81 13.351 2.946 18.443 1.00 0.00 H ATOM 1701 HZ2 LYS B 81 13.462 2.621 20.107 1.00 0.00 H ATOM 1702 HZ3 LYS B 81 12.062 2.186 19.248 1.00 0.00 H ATOM 1703 H LYS B 81 18.011 6.168 20.204 1.00 0.00 H ATOM 1704 N GLY B 82 16.198 4.027 23.583 1.00 20.64 N ATOM 1705 CA GLY B 82 16.207 2.796 24.332 1.00 20.89 C ATOM 1706 C GLY B 82 17.391 2.636 25.277 1.00 19.61 C ATOM 1707 O GLY B 82 17.474 1.620 25.993 1.00 21.38 O ATOM 1708 H GLY B 82 15.740 4.863 23.998 1.00 0.00 H ATOM 1709 N TYR B 83 18.306 3.614 25.293 1.00 18.16 N ATOM 1710 CA TYR B 83 19.450 3.574 26.177 1.00 17.76 C ATOM 1711 C TYR B 83 19.443 4.690 27.199 1.00 17.68 C ATOM 1712 O TYR B 83 19.016 5.784 26.890 1.00 18.01 O ATOM 1713 CB TYR B 83 20.761 3.666 25.344 1.00 17.08 C ATOM 1714 CG TYR B 83 20.978 2.461 24.476 1.00 17.59 C ATOM 1715 CD1 TYR B 83 20.405 2.387 23.214 1.00 17.80 C ATOM 1716 CD2 TYR B 83 21.645 1.330 24.950 1.00 17.70 C ATOM 1717 CE1 TYR B 83 20.595 1.269 22.415 1.00 18.76 C ATOM 1718 CE2 TYR B 83 21.827 0.229 24.148 1.00 18.19 C ATOM 1719 CZ TYR B 83 21.311 0.195 22.881 1.00 19.39 C ATOM 1720 OH TYR B 83 21.464 -0.931 22.088 1.00 21.18 O ATOM 1721 HH TYR B 83 21.042 -1.707 22.534 1.00 0.00 H ATOM 1722 H TYR B 83 18.191 4.425 24.652 1.00 0.00 H ATOM 1723 N ASP B 84 19.981 4.427 28.375 1.00 17.88 N ATOM 1724 CA ASP B 84 20.293 5.418 29.387 1.00 18.91 C ATOM 1725 C ASP B 84 21.790 5.708 29.269 1.00 18.41 C ATOM 1726 O ASP B 84 22.537 4.845 28.859 1.00 19.35 O ATOM 1727 CB ASP B 84 20.018 4.850 30.776 1.00 20.29 C ATOM 1728 CG ASP B 84 18.611 4.992 31.222 1.00 22.55 C ATOM 1729 OD1 ASP B 84 17.683 5.111 30.416 1.00 22.55 O ATOM 1730 OD2 ASP B 84 18.476 4.918 32.469 1.00 25.49 O ATOM 1731 H ASP B 84 20.198 3.433 28.593 1.00 0.00 H ATOM 1732 N TRP B 85 22.191 6.888 29.692 1.00 17.34 N ATOM 1733 CA TRP B 85 23.596 7.308 29.617 1.00 16.72 C ATOM 1734 C TRP B 85 24.188 7.665 30.967 1.00 16.18 C ATOM 1735 O TRP B 85 23.464 8.078 31.880 1.00 16.40 O ATOM 1736 CB TRP B 85 23.736 8.498 28.667 1.00 16.66 C ATOM 1737 CG TRP B 85 22.873 9.676 29.016 1.00 16.74 C ATOM 1738 CD1 TRP B 85 21.646 9.964 28.509 1.00 17.33 C ATOM 1739 CD2 TRP B 85 23.166 10.717 29.939 1.00 17.13 C ATOM 1740 NE1 TRP B 85 21.126 11.083 29.091 1.00 17.39 N ATOM 1741 CE2 TRP B 85 22.045 11.592 29.959 1.00 17.54 C ATOM 1742 CE3 TRP B 85 24.274 11.024 30.730 1.00 17.38 C ATOM 1743 CZ2 TRP B 85 21.999 12.719 30.760 1.00 18.34 C ATOM 1744 CZ3 TRP B 85 24.234 12.147 31.532 1.00 18.26 C ATOM 1745 CH2 TRP B 85 23.100 12.995 31.533 1.00 18.40 C ATOM 1746 HE1 TRP B 85 20.184 11.482 28.903 1.00 0.00 H ATOM 1747 H TRP B 85 21.490 7.544 30.092 1.00 0.00 H ATOM 1748 N THR B 86 25.524 7.544 31.009 1.00 15.55 N ATOM 1749 CA THR B 86 26.320 8.044 32.121 1.00 15.71 C ATOM 1750 C THR B 86 27.544 8.748 31.527 1.00 15.49 C ATOM 1751 O THR B 86 28.108 8.286 30.553 1.00 16.46 O ATOM 1752 CB THR B 86 26.838 6.955 33.070 1.00 15.85 C ATOM 1753 OG1 THR B 86 27.473 5.955 32.269 1.00 15.59 O ATOM 1754 CG2 THR B 86 25.725 6.376 33.915 1.00 16.18 C ATOM 1755 HG1 THR B 86 28.223 6.363 31.767 1.00 0.00 H ATOM 1756 H THR B 86 26.009 7.075 30.217 1.00 0.00 H ATOM 1757 N ILE B 87 27.953 9.834 32.124 1.00 15.60 N ATOM 1758 CA ILE B 87 29.147 10.548 31.685 1.00 16.66 C ATOM 1759 C ILE B 87 30.418 9.716 31.886 1.00 15.68 C ATOM 1760 O ILE B 87 30.562 9.090 32.901 1.00 15.05 O ATOM 1761 CB ILE B 87 29.253 11.934 32.359 1.00 19.44 C ATOM 1762 CG1 ILE B 87 30.354 12.789 31.706 1.00 22.39 C ATOM 1763 CG2 ILE B 87 29.561 11.816 33.784 1.00 21.26 C ATOM 1764 CD1 ILE B 87 30.058 14.272 31.767 1.00 23.46 C ATOM 1765 H ILE B 87 27.413 10.200 32.934 1.00 0.00 H ATOM 1766 N ALA B 88 31.306 9.727 30.901 1.00 15.16 N ATOM 1767 CA ALA B 88 32.560 8.965 30.916 1.00 15.12 C ATOM 1768 C ALA B 88 33.757 9.897 30.896 1.00 15.52 C ATOM 1769 O ALA B 88 33.919 10.656 29.955 1.00 15.93 O ATOM 1770 CB ALA B 88 32.623 8.024 29.693 1.00 14.92 C ATOM 1771 H ALA B 88 31.101 10.312 30.066 1.00 0.00 H ATOM 1772 N LEU B 89 34.550 9.867 31.947 1.00 15.78 N ATOM 1773 CA LEU B 89 35.793 10.612 32.037 1.00 16.70 C ATOM 1774 C LEU B 89 36.960 9.676 31.831 1.00 16.69 C ATOM 1775 O LEU B 89 36.884 8.486 32.124 1.00 16.65 O ATOM 1776 CB LEU B 89 35.960 11.259 33.402 1.00 17.72 C ATOM 1777 CG LEU B 89 34.799 12.120 33.881 1.00 18.54 C ATOM 1778 CD1 LEU B 89 35.048 12.717 35.207 1.00 20.20 C ATOM 1779 CD2 LEU B 89 34.521 13.236 32.917 1.00 18.83 C ATOM 1780 H LEU B 89 34.271 9.277 32.757 1.00 0.00 H ATOM 1781 N CYS B 90 38.064 10.199 31.324 1.00 16.40 N ATOM 1782 CA CYS B 90 39.309 9.443 31.407 1.00 16.81 C ATOM 1783 C CYS B 90 39.610 9.136 32.881 1.00 17.30 C ATOM 1784 O CYS B 90 39.643 10.033 33.709 1.00 17.38 O ATOM 1785 CB CYS B 90 40.451 10.216 30.787 1.00 17.47 C ATOM 1786 SG CYS B 90 42.038 9.307 30.872 1.00 17.42 S ATOM 1787 H CYS B 90 38.045 11.136 30.873 1.00 0.00 H ATOM 1788 N GLY B 91 39.838 7.864 33.197 1.00 17.49 N ATOM 1789 CA GLY B 91 40.116 7.443 34.556 1.00 18.09 C ATOM 1790 C GLY B 91 41.460 7.951 35.088 1.00 19.03 C ATOM 1791 O GLY B 91 41.691 8.029 36.300 1.00 19.84 O ATOM 1792 H GLY B 91 39.816 7.147 32.444 1.00 0.00 H ATOM 1793 N GLN B 92 42.358 8.239 34.159 1.00 18.72 N ATOM 1794 CA GLN B 92 43.729 8.606 34.471 1.00 19.54 C ATOM 1795 C GLN B 92 43.859 10.113 34.645 1.00 19.47 C ATOM 1796 O GLN B 92 44.394 10.553 35.668 1.00 20.66 O ATOM 1797 CB GLN B 92 44.662 8.094 33.379 1.00 19.50 C ATOM 1798 CG GLN B 92 46.119 8.236 33.634 1.00 20.30 C ATOM 1799 CD GLN B 92 46.932 7.181 32.888 1.00 20.11 C ATOM 1800 OE1 GLN B 92 47.204 6.074 33.438 1.00 19.86 O ATOM 1801 NE2 GLN B 92 47.430 7.555 31.715 1.00 20.16 N ATOM 1802 HE22 GLN B 92 47.171 8.477 31.310 1.00 0.00 H ATOM 1803 HE21 GLN B 92 48.079 6.925 31.201 1.00 0.00 H ATOM 1804 H GLN B 92 42.069 8.201 33.161 1.00 0.00 H ATOM 1805 N CYS B 93 43.315 10.906 33.730 1.00 19.23 N ATOM 1806 CA CYS B 93 43.476 12.362 33.804 1.00 20.17 C ATOM 1807 C CYS B 93 42.212 13.195 34.010 1.00 20.74 C ATOM 1808 O CYS B 93 42.296 14.407 34.226 1.00 21.33 O ATOM 1809 CB CYS B 93 44.206 12.883 32.565 1.00 20.80 C ATOM 1810 SG CYS B 93 43.185 12.936 31.101 1.00 20.16 S ATOM 1811 H CYS B 93 42.767 10.489 32.950 1.00 0.00 H ATOM 1812 N GLY B 94 41.041 12.581 33.919 1.00 20.22 N ATOM 1813 CA GLY B 94 39.783 13.291 34.126 1.00 20.33 C ATOM 1814 C GLY B 94 39.150 13.958 32.921 1.00 20.36 C ATOM 1815 O GLY B 94 38.046 14.481 33.038 1.00 20.86 O ATOM 1816 H GLY B 94 41.018 11.566 33.694 1.00 0.00 H ATOM 1817 N SER B 95 39.808 13.895 31.759 1.00 20.17 N ATOM 1818 CA SER B 95 39.243 14.480 30.524 1.00 19.81 C ATOM 1819 C SER B 95 37.871 13.901 30.219 1.00 19.28 C ATOM 1820 O SER B 95 37.683 12.687 30.345 1.00 18.20 O ATOM 1821 CB SER B 95 40.202 14.242 29.354 1.00 20.59 C ATOM 1822 OG SER B 95 39.696 14.830 28.137 1.00 20.63 O ATOM 1823 HG SER B 95 40.335 14.661 27.400 1.00 0.00 H ATOM 1824 H SER B 95 40.735 13.425 31.723 1.00 0.00 H ATOM 1825 N HIS B 96 36.913 14.740 29.845 1.00 18.65 N ATOM 1826 CA HIS B 96 35.570 14.218 29.508 1.00 18.18 C ATOM 1827 C HIS B 96 35.613 13.624 28.120 1.00 17.42 C ATOM 1828 O HIS B 96 35.712 14.367 27.150 1.00 17.86 O ATOM 1829 CB HIS B 96 34.491 15.282 29.623 1.00 18.80 C ATOM 1830 CG HIS B 96 33.144 14.831 29.146 1.00 19.38 C ATOM 1831 ND1 HIS B 96 32.231 15.671 28.529 1.00 20.20 N ATOM 1832 CD2 HIS B 96 32.579 13.603 29.135 1.00 19.10 C ATOM 1833 CE1 HIS B 96 31.163 14.974 28.180 1.00 20.34 C ATOM 1834 NE2 HIS B 96 31.340 13.721 28.547 1.00 18.98 N ATOM 1835 H HIS B 96 37.105 15.760 29.789 1.00 0.00 H ATOM 1836 N LEU B 97 35.587 12.289 28.026 1.00 15.87 N ATOM 1837 CA LEU B 97 35.763 11.615 26.752 1.00 15.48 C ATOM 1838 C LEU B 97 34.470 11.205 26.087 1.00 14.89 C ATOM 1839 O LEU B 97 34.478 10.936 24.912 1.00 15.09 O ATOM 1840 CB LEU B 97 36.684 10.405 26.890 1.00 15.96 C ATOM 1841 CG LEU B 97 38.130 10.741 27.308 1.00 16.58 C ATOM 1842 CD1 LEU B 97 39.034 9.528 27.305 1.00 17.23 C ATOM 1843 CD2 LEU B 97 38.770 11.830 26.463 1.00 17.36 C ATOM 1844 H LEU B 97 35.437 11.722 28.885 1.00 0.00 H ATOM 1845 N GLY B 98 33.383 11.128 26.816 1.00 14.54 N ATOM 1846 CA GLY B 98 32.087 10.822 26.219 1.00 14.02 C ATOM 1847 C GLY B 98 31.075 10.324 27.228 1.00 13.74 C ATOM 1848 O GLY B 98 30.963 10.877 28.321 1.00 14.15 O ATOM 1849 H GLY B 98 33.446 11.288 27.842 1.00 0.00 H ATOM 1850 N TRP B 99 30.363 9.280 26.828 1.00 12.96 N ATOM 1851 CA TRP B 99 29.283 8.693 27.627 1.00 13.25 C ATOM 1852 C TRP B 99 29.213 7.215 27.419 1.00 13.24 C ATOM 1853 O TRP B 99 29.535 6.713 26.338 1.00 13.51 O ATOM 1854 CB TRP B 99 27.911 9.290 27.209 1.00 13.75 C ATOM 1855 CG TRP B 99 27.857 10.787 27.350 1.00 14.33 C ATOM 1856 CD1 TRP B 99 27.420 11.469 28.411 1.00 15.00 C ATOM 1857 CD2 TRP B 99 28.320 11.766 26.413 1.00 14.75 C ATOM 1858 NE1 TRP B 99 27.541 12.819 28.229 1.00 15.55 N ATOM 1859 CE2 TRP B 99 28.123 13.045 27.016 1.00 15.20 C ATOM 1860 CE3 TRP B 99 28.866 11.700 25.128 1.00 15.24 C ATOM 1861 CZ2 TRP B 99 28.391 14.230 26.330 1.00 16.11 C ATOM 1862 CZ3 TRP B 99 29.209 12.911 24.507 1.00 15.24 C ATOM 1863 CH2 TRP B 99 28.982 14.123 25.116 1.00 15.56 C ATOM 1864 HE1 TRP B 99 27.240 13.551 28.903 1.00 0.00 H ATOM 1865 H TRP B 99 30.581 8.857 25.903 1.00 0.00 H ATOM 1866 N HIS B 100 28.730 6.505 28.422 1.00 13.76 N ATOM 1867 CA HIS B 100 28.382 5.102 28.305 1.00 14.02 C ATOM 1868 C HIS B 100 26.901 4.945 28.250 1.00 14.09 C ATOM 1869 O HIS B 100 26.198 5.625 28.996 1.00 14.72 O ATOM 1870 CB HIS B 100 28.903 4.344 29.520 1.00 15.07 C ATOM 1871 CG HIS B 100 28.755 2.871 29.415 1.00 16.26 C ATOM 1872 ND1 HIS B 100 28.084 2.114 30.347 1.00 19.53 N ATOM 1873 CD2 HIS B 100 29.247 2.005 28.502 1.00 17.63 C ATOM 1874 CE1 HIS B 100 28.156 0.844 29.997 1.00 19.03 C ATOM 1875 NE2 HIS B 100 28.841 0.747 28.877 1.00 19.09 N ATOM 1876 H HIS B 100 28.593 6.974 29.340 1.00 0.00 H ATOM 1877 N TYR B 101 26.434 4.046 27.397 1.00 13.69 N ATOM 1878 CA TYR B 101 25.028 3.783 27.160 1.00 14.53 C ATOM 1879 C TYR B 101 24.710 2.387 27.641 1.00 16.03 C ATOM 1880 O TYR B 101 25.475 1.462 27.421 1.00 15.84 O ATOM 1881 CB TYR B 101 24.671 3.941 25.676 1.00 14.16 C ATOM 1882 CG TYR B 101 24.727 5.376 25.258 1.00 14.13 C ATOM 1883 CD1 TYR B 101 23.662 6.238 25.484 1.00 14.04 C ATOM 1884 CD2 TYR B 101 25.928 5.944 24.786 1.00 13.88 C ATOM 1885 CE1 TYR B 101 23.764 7.575 25.171 1.00 14.13 C ATOM 1886 CE2 TYR B 101 26.033 7.292 24.557 1.00 13.79 C ATOM 1887 CZ TYR B 101 24.961 8.109 24.732 1.00 14.17 C ATOM 1888 OH TYR B 101 25.028 9.438 24.416 1.00 15.15 O ATOM 1889 HH TYR B 101 24.157 9.867 24.610 1.00 0.00 H ATOM 1890 H TYR B 101 27.126 3.488 26.858 1.00 0.00 H ATOM 1891 N GLU B 102 23.554 2.226 28.291 1.00 17.83 N ATOM 1892 CA GLU B 102 23.158 0.929 28.811 1.00 20.51 C ATOM 1893 C GLU B 102 21.650 0.807 28.769 1.00 21.50 C ATOM 1894 O GLU B 102 20.902 1.756 28.634 1.00 19.61 O ATOM 1895 CB GLU B 102 23.611 0.746 30.263 1.00 23.06 C ATOM 1896 CG GLU B 102 23.050 1.745 31.252 1.00 26.32 C ATOM 1897 CD GLU B 102 23.628 1.562 32.657 1.00 30.07 C ATOM 1898 OE1 GLU B 102 24.843 1.810 32.860 1.00 35.11 O ATOM 1899 OE2 GLU B 102 22.855 1.181 33.562 1.00 35.04 O ATOM 1900 H GLU B 102 22.926 3.044 28.427 1.00 0.00 H ATOM 1901 N GLY B 103 21.252 -0.424 29.025 1.00 25.12 N ATOM 1902 CA GLY B 103 19.827 -0.737 29.239 1.00 26.76 C ATOM 1903 C GLY B 103 19.074 -0.929 27.964 1.00 29.51 C ATOM 1904 O GLY B 103 17.828 -1.015 27.999 1.00 31.89 O ATOM 1905 H GLY B 103 21.956 -1.188 29.077 1.00 0.00 H ATOM 1906 N GLY B 104 19.772 -1.078 26.838 1.00 30.17 N ATOM 1907 CA GLY B 104 19.128 -1.464 25.586 1.00 32.36 C ATOM 1908 C GLY B 104 19.210 -2.957 25.291 1.00 33.90 C ATOM 1909 O GLY B 104 19.418 -3.766 26.172 1.00 33.14 O ATOM 1910 H GLY B 104 20.799 -0.915 26.852 1.00 0.00 H ATOM 1911 N SER B 105 19.001 -3.293 24.035 1.00 36.18 N ATOM 1912 CA SER B 105 19.259 -4.639 23.530 1.00 38.55 C ATOM 1913 C SER B 105 20.063 -4.592 22.257 1.00 37.46 C ATOM 1914 O SER B 105 19.949 -3.638 21.494 1.00 39.81 O ATOM 1915 CB SER B 105 17.928 -5.340 23.293 1.00 41.34 C ATOM 1916 OG SER B 105 17.081 -4.620 22.405 1.00 43.02 O ATOM 1917 HG SER B 105 17.532 -4.519 21.530 1.00 0.00 H ATOM 1918 H SER B 105 18.639 -2.573 23.378 1.00 0.00 H ATOM 1919 N GLN B 106 20.958 -5.561 22.095 1.00 36.65 N ATOM 1920 CA GLN B 106 21.739 -5.758 20.877 1.00 37.19 C ATOM 1921 C GLN B 106 22.384 -4.468 20.292 1.00 34.65 C ATOM 1922 O GLN B 106 22.013 -4.020 19.200 1.00 36.79 O ATOM 1923 CB GLN B 106 20.876 -6.495 19.825 1.00 39.92 C ATOM 1924 CG GLN B 106 20.220 -7.769 20.362 1.00 42.45 C ATOM 1925 CD GLN B 106 19.045 -8.263 19.536 1.00 45.15 C ATOM 1926 OE1 GLN B 106 19.036 -8.141 18.313 1.00 48.59 O ATOM 1927 NE2 GLN B 106 18.046 -8.845 20.205 1.00 46.62 N ATOM 1928 HE22 GLN B 106 18.093 -8.928 21.241 1.00 0.00 H ATOM 1929 HE21 GLN B 106 17.221 -9.215 19.690 1.00 0.00 H ATOM 1930 H GLN B 106 21.112 -6.220 22.885 1.00 0.00 H ATOM 1931 N PRO B 107 23.349 -3.869 20.995 1.00 29.91 N ATOM 1932 CA PRO B 107 23.950 -4.367 22.225 1.00 28.45 C ATOM 1933 C PRO B 107 23.262 -3.810 23.467 1.00 27.23 C ATOM 1934 O PRO B 107 22.560 -2.797 23.401 1.00 28.21 O ATOM 1935 CB PRO B 107 25.361 -3.805 22.140 1.00 27.85 C ATOM 1936 CG PRO B 107 25.172 -2.495 21.467 1.00 27.72 C ATOM 1937 CD PRO B 107 24.084 -2.714 20.456 1.00 28.24 C ATOM 1938 N GLN B 108 23.483 -4.436 24.598 1.00 25.12 N ATOM 1939 CA GLN B 108 22.923 -3.935 25.848 1.00 25.23 C ATOM 1940 C GLN B 108 23.643 -2.673 26.280 1.00 23.39 C ATOM 1941 O GLN B 108 23.023 -1.820 26.918 1.00 22.79 O ATOM 1942 CB GLN B 108 23.002 -4.984 26.952 1.00 26.90 C ATOM 1943 CG GLN B 108 21.993 -6.127 26.731 1.00 30.56 C ATOM 1944 CD GLN B 108 22.082 -7.210 27.759 1.00 32.63 C ATOM 1945 OE1 GLN B 108 21.964 -8.392 27.430 1.00 39.32 O ATOM 1946 NE2 GLN B 108 22.333 -6.833 29.018 1.00 34.72 N ATOM 1947 HE22 GLN B 108 22.425 -5.823 29.250 1.00 0.00 H ATOM 1948 HE21 GLN B 108 22.436 -7.550 29.765 1.00 0.00 H ATOM 1949 H GLN B 108 24.064 -5.299 24.604 1.00 0.00 H ATOM 1950 N THR B 109 24.934 -2.572 25.951 1.00 21.32 N ATOM 1951 CA THR B 109 25.769 -1.437 26.322 1.00 20.56 C ATOM 1952 C THR B 109 26.736 -1.063 25.199 1.00 18.96 C ATOM 1953 O THR B 109 27.130 -1.898 24.391 1.00 19.72 O ATOM 1954 CB THR B 109 26.612 -1.745 27.553 1.00 20.86 C ATOM 1955 OG1 THR B 109 27.578 -2.760 27.265 1.00 22.39 O ATOM 1956 CG2 THR B 109 25.738 -2.165 28.739 1.00 21.80 C ATOM 1957 HG1 THR B 109 27.112 -3.586 26.981 1.00 0.00 H ATOM 1958 H THR B 109 25.365 -3.343 25.402 1.00 0.00 H ATOM 1959 N PHE B 110 27.133 0.203 25.167 1.00 16.64 N ATOM 1960 CA PHE B 110 28.156 0.700 24.251 1.00 15.41 C ATOM 1961 C PHE B 110 28.594 2.097 24.722 1.00 14.64 C ATOM 1962 O PHE B 110 28.035 2.634 25.650 1.00 14.58 O ATOM 1963 CB PHE B 110 27.629 0.724 22.789 1.00 15.72 C ATOM 1964 CG PHE B 110 26.567 1.753 22.536 1.00 15.45 C ATOM 1965 CD1 PHE B 110 25.234 1.479 22.785 1.00 15.78 C ATOM 1966 CD2 PHE B 110 26.913 2.989 22.013 1.00 15.34 C ATOM 1967 CE1 PHE B 110 24.269 2.473 22.505 1.00 16.06 C ATOM 1968 CE2 PHE B 110 25.991 3.937 21.745 1.00 15.67 C ATOM 1969 CZ PHE B 110 24.679 3.711 22.009 1.00 15.79 C ATOM 1970 H PHE B 110 26.693 0.875 25.828 1.00 0.00 H ATOM 1971 N PHE B 111 29.611 2.660 24.086 1.00 13.44 N ATOM 1972 CA PHE B 111 30.124 3.972 24.385 1.00 13.07 C ATOM 1973 C PHE B 111 29.939 4.909 23.215 1.00 13.03 C ATOM 1974 O PHE B 111 30.113 4.505 22.059 1.00 13.47 O ATOM 1975 CB PHE B 111 31.651 3.867 24.668 1.00 13.02 C ATOM 1976 CG PHE B 111 31.950 3.237 25.978 1.00 13.40 C ATOM 1977 CD1 PHE B 111 32.011 1.865 26.090 1.00 13.88 C ATOM 1978 CD2 PHE B 111 32.114 4.013 27.112 1.00 13.36 C ATOM 1979 CE1 PHE B 111 32.301 1.270 27.302 1.00 14.44 C ATOM 1980 CE2 PHE B 111 32.377 3.423 28.355 1.00 14.30 C ATOM 1981 CZ PHE B 111 32.485 2.053 28.430 1.00 13.93 C ATOM 1982 H PHE B 111 30.067 2.121 23.323 1.00 0.00 H ATOM 1983 N GLY B 112 29.628 6.154 23.514 1.00 12.90 N ATOM 1984 CA GLY B 112 29.731 7.248 22.533 1.00 12.73 C ATOM 1985 C GLY B 112 30.852 8.161 22.976 1.00 12.66 C ATOM 1986 O GLY B 112 30.742 8.831 23.993 1.00 12.34 O ATOM 1987 H GLY B 112 29.298 6.372 24.476 1.00 0.00 H ATOM 1988 N LEU B 113 31.948 8.139 22.241 1.00 12.94 N ATOM 1989 CA LEU B 113 33.148 8.874 22.633 1.00 13.31 C ATOM 1990 C LEU B 113 33.371 10.069 21.707 1.00 13.63 C ATOM 1991 O LEU B 113 33.077 10.013 20.524 1.00 14.15 O ATOM 1992 CB LEU B 113 34.370 7.974 22.604 1.00 13.78 C ATOM 1993 CG LEU B 113 34.273 6.758 23.520 1.00 13.95 C ATOM 1994 CD1 LEU B 113 35.585 5.951 23.472 1.00 14.42 C ATOM 1995 CD2 LEU B 113 33.921 7.150 24.938 1.00 14.02 C ATOM 1996 H LEU B 113 31.958 7.585 21.361 1.00 0.00 H ATOM 1997 N ILE B 114 33.850 11.156 22.261 1.00 13.79 N ATOM 1998 CA ILE B 114 34.045 12.412 21.534 1.00 14.27 C ATOM 1999 C ILE B 114 35.304 12.318 20.702 1.00 14.44 C ATOM 2000 O ILE B 114 36.420 12.263 21.249 1.00 13.98 O ATOM 2001 CB ILE B 114 34.094 13.619 22.484 1.00 14.59 C ATOM 2002 CG1 ILE B 114 32.769 13.692 23.286 1.00 14.83 C ATOM 2003 CG2 ILE B 114 34.335 14.920 21.697 1.00 15.13 C ATOM 2004 CD1 ILE B 114 32.894 14.534 24.532 1.00 15.23 C ATOM 2005 H ILE B 114 34.105 11.125 23.269 1.00 0.00 H ATOM 2006 N LYS B 115 35.138 12.268 19.386 1.00 15.10 N ATOM 2007 CA LYS B 115 36.247 11.943 18.481 1.00 15.76 C ATOM 2008 C LYS B 115 37.440 12.863 18.661 1.00 16.43 C ATOM 2009 O LYS B 115 38.575 12.384 18.717 1.00 15.96 O ATOM 2010 CB LYS B 115 35.760 11.955 17.030 1.00 16.26 C ATOM 2011 CG LYS B 115 36.860 11.803 15.967 1.00 16.85 C ATOM 2012 CD LYS B 115 37.521 10.451 15.993 1.00 17.24 C ATOM 2013 CE LYS B 115 38.408 10.226 14.787 1.00 18.23 C ATOM 2014 NZ LYS B 115 39.488 11.238 14.618 1.00 18.80 N ATOM 2015 HZ1 LYS B 115 39.064 12.181 14.511 1.00 0.00 H ATOM 2016 HZ2 LYS B 115 40.105 11.227 15.455 1.00 0.00 H ATOM 2017 HZ3 LYS B 115 40.046 11.009 13.771 1.00 0.00 H ATOM 2018 H LYS B 115 34.198 12.464 18.986 1.00 0.00 H ATOM 2019 N ASP B 116 37.179 14.156 18.802 1.00 16.87 N ATOM 2020 CA ASP B 116 38.193 15.204 18.958 1.00 17.82 C ATOM 2021 C ASP B 116 39.025 15.121 20.235 1.00 18.35 C ATOM 2022 O ASP B 116 40.008 15.832 20.387 1.00 19.39 O ATOM 2023 CB ASP B 116 37.502 16.583 19.012 1.00 18.24 C ATOM 2024 CG ASP B 116 36.974 17.064 17.661 1.00 18.68 C ATOM 2025 OD1 ASP B 116 37.367 16.592 16.582 1.00 18.65 O ATOM 2026 OD2 ASP B 116 36.133 17.983 17.688 1.00 19.64 O ATOM 2027 H ASP B 116 36.181 14.448 18.802 1.00 0.00 H ATOM 2028 N ARG B 117 38.545 14.327 21.208 1.00 17.25 N ATOM 2029 CA ARG B 117 39.225 14.174 22.482 1.00 18.13 C ATOM 2030 C ARG B 117 40.026 12.893 22.563 1.00 16.59 C ATOM 2031 O ARG B 117 40.594 12.577 23.596 1.00 16.79 O ATOM 2032 CB ARG B 117 38.186 14.271 23.593 1.00 19.39 C ATOM 2033 CG ARG B 117 37.511 15.632 23.539 1.00 21.62 C ATOM 2034 CD ARG B 117 36.647 15.911 24.663 1.00 24.10 C ATOM 2035 NE ARG B 117 35.941 17.179 24.485 1.00 26.92 N ATOM 2036 CZ ARG B 117 35.124 17.708 25.386 1.00 28.35 C ATOM 2037 NH1 ARG B 117 34.883 17.079 26.499 1.00 28.05 N ATOM 2038 NH2 ARG B 117 34.509 18.869 25.129 1.00 30.36 N ATOM 2039 HE ARG B 117 36.089 17.699 23.596 1.00 0.00 H ATOM 2040 HH12 ARG B 117 34.242 17.496 27.204 1.00 0.00 H ATOM 2041 HH11 ARG B 117 35.331 16.159 26.684 1.00 0.00 H ATOM 2042 HH22 ARG B 117 33.868 19.285 25.834 1.00 0.00 H ATOM 2043 HH21 ARG B 117 34.672 19.355 24.224 1.00 0.00 H ATOM 2044 H ARG B 117 37.660 13.807 21.043 1.00 0.00 H ATOM 2045 N LEU B 118 40.085 12.161 21.454 1.00 16.09 N ATOM 2046 CA LEU B 118 40.861 10.934 21.338 1.00 16.32 C ATOM 2047 C LEU B 118 41.970 11.162 20.303 1.00 16.36 C ATOM 2048 O LEU B 118 41.832 12.025 19.413 1.00 17.36 O ATOM 2049 CB LEU B 118 39.990 9.778 20.855 1.00 16.44 C ATOM 2050 CG LEU B 118 38.756 9.446 21.697 1.00 16.52 C ATOM 2051 CD1 LEU B 118 37.917 8.453 20.920 1.00 17.08 C ATOM 2052 CD2 LEU B 118 39.208 8.933 23.050 1.00 17.01 C ATOM 2053 H LEU B 118 39.547 12.483 20.624 1.00 0.00 H ATOM 2054 N ALA B 119 43.010 10.371 20.418 1.00 16.50 N ATOM 2055 CA ALA B 119 44.098 10.364 19.439 1.00 17.19 C ATOM 2056 C ALA B 119 44.216 8.965 18.928 1.00 17.33 C ATOM 2057 O ALA B 119 44.405 8.044 19.729 1.00 18.15 O ATOM 2058 CB ALA B 119 45.417 10.817 20.086 1.00 17.89 C ATOM 2059 H ALA B 119 43.063 9.727 21.233 1.00 0.00 H ATOM 2060 N GLU B 120 44.178 8.757 17.612 1.00 17.70 N ATOM 2061 CA GLU B 120 44.302 7.430 17.031 1.00 18.96 C ATOM 2062 C GLU B 120 45.750 7.128 16.657 1.00 19.73 C ATOM 2063 O GLU B 120 46.459 8.006 16.154 1.00 19.10 O ATOM 2064 CB GLU B 120 43.421 7.314 15.801 1.00 20.10 C ATOM 2065 CG GLU B 120 43.277 5.885 15.292 1.00 21.24 C ATOM 2066 CD GLU B 120 42.240 5.711 14.194 1.00 22.47 C ATOM 2067 OE1 GLU B 120 41.767 6.692 13.647 1.00 24.92 O ATOM 2068 OE2 GLU B 120 41.954 4.556 13.853 1.00 25.24 O ATOM 2069 H GLU B 120 44.055 9.573 16.978 1.00 0.00 H ATOM 2070 N GLY B 121 46.195 5.914 16.925 1.00 21.05 N ATOM 2071 CA GLY B 121 47.591 5.576 16.624 1.00 23.92 C ATOM 2072 C GLY B 121 47.860 4.103 16.757 1.00 25.70 C ATOM 2073 O GLY B 121 47.007 3.357 17.157 1.00 24.40 O ATOM 2074 H GLY B 121 45.562 5.204 17.345 1.00 0.00 H ATOM 2075 N PRO B 122 49.077 3.683 16.436 1.00 28.28 N ATOM 2076 CA PRO B 122 49.405 2.252 16.511 1.00 30.32 C ATOM 2077 C PRO B 122 49.438 1.711 17.949 1.00 31.82 C ATOM 2078 O PRO B 122 49.687 2.452 18.888 1.00 30.56 O ATOM 2079 CB PRO B 122 50.779 2.157 15.842 1.00 30.49 C ATOM 2080 CG PRO B 122 51.318 3.536 15.844 1.00 31.16 C ATOM 2081 CD PRO B 122 50.180 4.505 15.911 1.00 29.54 C ATOM 2082 N ALA B 123 49.071 0.450 18.091 1.00 34.98 N ATOM 2083 CA ALA B 123 48.966 -0.214 19.391 1.00 37.27 C ATOM 2084 C ALA B 123 50.332 -0.468 20.049 1.00 40.27 C ATOM 2085 O ALA B 123 51.345 -0.558 19.346 1.00 42.18 O ATOM 2086 CB ALA B 123 48.225 -1.531 19.204 1.00 39.12 C ATOM 2087 H ALA B 123 48.845 -0.098 17.236 1.00 0.00 H TER 2088 ALA B 123 ATOM 2089 N ALA C 16 18.993 7.952 -13.170 1.00 52.37 N ATOM 2090 CA ALA C 16 19.122 9.436 -13.253 1.00 52.67 C ATOM 2091 C ALA C 16 20.477 9.821 -13.867 1.00 51.62 C ATOM 2092 O ALA C 16 21.401 8.999 -13.881 1.00 50.22 O ATOM 2093 CB ALA C 16 18.965 10.051 -11.867 1.00 53.31 C ATOM 2094 HN3 ALA C 16 19.756 7.572 -12.575 1.00 0.00 H ATOM 2095 HN2 ALA C 16 19.061 7.545 -14.125 1.00 0.00 H ATOM 2096 HN1 ALA C 16 18.072 7.708 -12.753 1.00 0.00 H ATOM 2097 N PRO C 17 20.589 11.063 -14.364 1.00 53.23 N ATOM 2098 CA PRO C 17 21.822 11.439 -15.074 1.00 51.84 C ATOM 2099 C PRO C 17 23.028 11.564 -14.157 1.00 49.53 C ATOM 2100 O PRO C 17 24.156 11.692 -14.637 1.00 49.93 O ATOM 2101 CB PRO C 17 21.469 12.795 -15.694 1.00 55.02 C ATOM 2102 CG PRO C 17 20.463 13.356 -14.767 1.00 55.87 C ATOM 2103 CD PRO C 17 19.647 12.199 -14.267 1.00 55.35 C ATOM 2104 N GLY C 18 22.804 11.584 -12.845 1.00 46.98 N ATOM 2105 CA GLY C 18 23.889 11.549 -11.869 1.00 44.77 C ATOM 2106 C GLY C 18 24.150 10.161 -11.334 1.00 42.59 C ATOM 2107 O GLY C 18 24.768 10.031 -10.303 1.00 42.02 O ATOM 2108 H GLY C 18 21.823 11.626 -12.504 1.00 0.00 H ATOM 2109 N ALA C 19 23.678 9.122 -12.026 1.00 40.73 N ATOM 2110 CA ALA C 19 23.800 7.742 -11.566 1.00 39.06 C ATOM 2111 C ALA C 19 24.447 6.911 -12.662 1.00 37.51 C ATOM 2112 O ALA C 19 23.938 5.907 -13.157 1.00 38.74 O ATOM 2113 CB ALA C 19 22.441 7.172 -11.192 1.00 40.67 C ATOM 2114 H ALA C 19 23.202 9.304 -12.933 1.00 0.00 H ATOM 2115 N SER C 20 25.636 7.341 -13.033 1.00 34.52 N ATOM 2116 CA SER C 20 26.333 6.801 -14.187 1.00 32.23 C ATOM 2117 C SER C 20 27.556 5.932 -13.884 1.00 28.94 C ATOM 2118 O SER C 20 27.766 4.938 -14.552 1.00 26.74 O ATOM 2119 CB SER C 20 26.717 7.965 -15.066 1.00 35.31 C ATOM 2120 OG SER C 20 27.414 7.553 -16.198 1.00 37.10 O ATOM 2121 HG SER C 20 28.242 7.086 -15.922 1.00 0.00 H ATOM 2122 H SER C 20 26.092 8.094 -12.479 1.00 0.00 H ATOM 2123 N ILE C 21 28.328 6.330 -12.894 1.00 25.58 N ATOM 2124 CA ILE C 21 29.503 5.589 -12.429 1.00 24.89 C ATOM 2125 C ILE C 21 29.292 5.203 -10.976 1.00 23.72 C ATOM 2126 O ILE C 21 28.645 5.963 -10.193 1.00 22.94 O ATOM 2127 CB ILE C 21 30.748 6.471 -12.516 1.00 25.61 C ATOM 2128 CG1 ILE C 21 31.064 6.820 -13.983 1.00 27.08 C ATOM 2129 CG2 ILE C 21 31.962 5.788 -11.862 1.00 24.99 C ATOM 2130 CD1 ILE C 21 31.272 5.653 -14.900 1.00 27.98 C ATOM 2131 H ILE C 21 28.090 7.222 -12.415 1.00 0.00 H ATOM 2132 N PHE C 22 29.737 3.984 -10.653 1.00 22.67 N ATOM 2133 CA PHE C 22 29.527 3.405 -9.330 1.00 22.83 C ATOM 2134 C PHE C 22 30.868 3.215 -8.699 1.00 22.38 C ATOM 2135 O PHE C 22 31.778 2.612 -9.323 1.00 21.18 O ATOM 2136 CB PHE C 22 28.788 2.038 -9.413 1.00 23.29 C ATOM 2137 CG PHE C 22 27.415 2.149 -10.004 1.00 25.12 C ATOM 2138 CD1 PHE C 22 27.250 2.125 -11.401 1.00 25.73 C ATOM 2139 CD2 PHE C 22 26.303 2.474 -9.202 1.00 26.93 C ATOM 2140 CE1 PHE C 22 25.996 2.325 -11.948 1.00 26.67 C ATOM 2141 CE2 PHE C 22 25.077 2.678 -9.777 1.00 28.14 C ATOM 2142 CZ PHE C 22 24.918 2.590 -11.136 1.00 27.75 C ATOM 2143 H PHE C 22 30.250 3.430 -11.368 1.00 0.00 H ATOM 2144 N ARG C 23 31.013 3.690 -7.446 1.00 22.84 N ATOM 2145 CA ARG C 23 32.297 3.670 -6.747 1.00 23.72 C ATOM 2146 C ARG C 23 32.169 3.146 -5.336 1.00 22.85 C ATOM 2147 O ARG C 23 31.102 3.170 -4.792 1.00 23.66 O ATOM 2148 CB ARG C 23 32.967 5.080 -6.655 1.00 26.73 C ATOM 2149 CG ARG C 23 32.224 6.333 -6.543 1.00 30.33 C ATOM 2150 CD ARG C 23 33.255 7.462 -6.714 1.00 32.22 C ATOM 2151 NE ARG C 23 33.363 7.795 -8.121 1.00 33.54 N ATOM 2152 CZ ARG C 23 34.312 7.459 -8.982 1.00 32.97 C ATOM 2153 NH1 ARG C 23 35.414 6.843 -8.605 1.00 32.27 N ATOM 2154 NH2 ARG C 23 34.190 7.875 -10.231 1.00 33.86 N ATOM 2155 HE ARG C 23 32.591 8.376 -8.506 1.00 0.00 H ATOM 2156 HH12 ARG C 23 36.138 6.595 -9.309 1.00 0.00 H ATOM 2157 HH11 ARG C 23 35.560 6.605 -7.603 1.00 0.00 H ATOM 2158 HH22 ARG C 23 34.916 7.630 -10.934 1.00 0.00 H ATOM 2159 HH21 ARG C 23 33.368 8.447 -10.511 1.00 0.00 H ATOM 2160 H ARG C 23 30.183 4.084 -6.960 1.00 0.00 H ATOM 2161 N CYS C 24 33.257 2.675 -4.756 1.00 21.34 N ATOM 2162 CA CYS C 24 33.257 2.291 -3.363 1.00 21.71 C ATOM 2163 C CYS C 24 32.874 3.466 -2.465 1.00 23.07 C ATOM 2164 O CYS C 24 33.441 4.516 -2.562 1.00 23.90 O ATOM 2165 CB CYS C 24 34.603 1.738 -2.974 1.00 20.31 C ATOM 2166 SG CYS C 24 34.771 1.331 -1.222 1.00 19.71 S ATOM 2167 H CYS C 24 34.131 2.578 -5.312 1.00 0.00 H ATOM 2168 N ARG C 25 31.883 3.275 -1.622 1.00 26.08 N ATOM 2169 CA ARG C 25 31.413 4.307 -0.698 1.00 28.68 C ATOM 2170 C ARG C 25 32.481 4.709 0.313 1.00 28.73 C ATOM 2171 O ARG C 25 32.489 5.865 0.768 1.00 29.42 O ATOM 2172 CB ARG C 25 30.200 3.784 0.069 1.00 31.63 C ATOM 2173 CG ARG C 25 29.678 4.593 1.224 1.00 34.84 C ATOM 2174 CD ARG C 25 28.534 3.856 1.825 1.00 36.12 C ATOM 2175 NE ARG C 25 28.173 4.359 3.142 1.00 40.35 N ATOM 2176 CZ ARG C 25 27.043 4.022 3.767 1.00 42.32 C ATOM 2177 NH1 ARG C 25 26.789 4.515 4.962 1.00 44.78 N ATOM 2178 NH2 ARG C 25 26.149 3.198 3.198 1.00 42.05 N ATOM 2179 HE ARG C 25 28.827 5.012 3.619 1.00 0.00 H ATOM 2180 HH12 ARG C 25 25.910 4.257 5.455 1.00 0.00 H ATOM 2181 HH11 ARG C 25 27.467 5.162 5.412 1.00 0.00 H ATOM 2182 HH22 ARG C 25 25.275 2.949 3.704 1.00 0.00 H ATOM 2183 HH21 ARG C 25 26.330 2.808 2.251 1.00 0.00 H ATOM 2184 H ARG C 25 31.412 2.348 -1.612 1.00 0.00 H ATOM 2185 N GLN C 26 33.347 3.779 0.698 1.00 28.75 N ATOM 2186 CA GLN C 26 34.322 4.049 1.750 1.00 29.69 C ATOM 2187 C GLN C 26 35.544 4.810 1.290 1.00 28.88 C ATOM 2188 O GLN C 26 36.071 5.650 2.029 1.00 29.11 O ATOM 2189 CB GLN C 26 34.729 2.741 2.426 1.00 32.09 C ATOM 2190 CG GLN C 26 33.572 2.070 3.113 1.00 34.81 C ATOM 2191 CD GLN C 26 32.934 2.958 4.159 1.00 37.35 C ATOM 2192 OE1 GLN C 26 33.613 3.739 4.835 1.00 40.59 O ATOM 2193 NE2 GLN C 26 31.625 2.836 4.312 1.00 40.07 N ATOM 2194 HE22 GLN C 26 31.093 2.166 3.721 1.00 0.00 H ATOM 2195 HE21 GLN C 26 31.129 3.410 5.023 1.00 0.00 H ATOM 2196 H GLN C 26 33.330 2.844 0.243 1.00 0.00 H ATOM 2197 N CYS C 27 35.995 4.550 0.061 1.00 25.78 N ATOM 2198 CA CYS C 27 37.221 5.194 -0.414 1.00 24.23 C ATOM 2199 C CYS C 27 37.127 5.836 -1.804 1.00 24.36 C ATOM 2200 O CYS C 27 38.061 6.508 -2.224 1.00 27.62 O ATOM 2201 CB CYS C 27 38.345 4.168 -0.377 1.00 22.55 C ATOM 2202 SG CYS C 27 38.236 2.944 -1.698 1.00 20.21 S ATOM 2203 H CYS C 27 35.478 3.893 -0.557 1.00 0.00 H ATOM 2204 N GLY C 28 36.063 5.601 -2.536 1.00 22.89 N ATOM 2205 CA GLY C 28 35.909 6.143 -3.866 1.00 22.74 C ATOM 2206 C GLY C 28 36.451 5.366 -5.041 1.00 21.47 C ATOM 2207 O GLY C 28 36.346 5.852 -6.163 1.00 20.56 O ATOM 2208 H GLY C 28 35.306 5.005 -2.145 1.00 0.00 H ATOM 2209 N GLN C 29 37.055 4.200 -4.820 1.00 21.09 N ATOM 2210 CA GLN C 29 37.540 3.397 -5.922 1.00 20.48 C ATOM 2211 C GLN C 29 36.478 3.185 -6.988 1.00 19.89 C ATOM 2212 O GLN C 29 35.364 2.833 -6.666 1.00 20.28 O ATOM 2213 CB GLN C 29 37.970 2.016 -5.410 1.00 21.23 C ATOM 2214 CG GLN C 29 38.316 0.958 -6.483 1.00 21.32 C ATOM 2215 CD GLN C 29 39.774 0.890 -6.744 1.00 22.46 C ATOM 2216 OE1 GLN C 29 40.376 1.897 -6.993 1.00 25.16 O ATOM 2217 NE2 GLN C 29 40.362 -0.290 -6.641 1.00 24.04 N ATOM 2218 HE22 GLN C 29 39.797 -1.135 -6.423 1.00 0.00 H ATOM 2219 HE21 GLN C 29 41.390 -0.373 -6.778 1.00 0.00 H ATOM 2220 H GLN C 29 37.180 3.863 -3.844 1.00 0.00 H ATOM 2221 N THR C 30 36.839 3.396 -8.241 1.00 20.24 N ATOM 2222 CA THR C 30 35.908 3.213 -9.352 1.00 20.62 C ATOM 2223 C THR C 30 35.650 1.734 -9.518 1.00 20.10 C ATOM 2224 O THR C 30 36.607 0.948 -9.563 1.00 19.82 O ATOM 2225 CB THR C 30 36.489 3.794 -10.652 1.00 22.77 C ATOM 2226 OG1 THR C 30 36.829 5.171 -10.427 1.00 25.53 O ATOM 2227 CG2 THR C 30 35.472 3.735 -11.748 1.00 23.83 C ATOM 2228 HG1 THR C 30 37.205 5.557 -11.258 1.00 0.00 H ATOM 2229 H THR C 30 37.813 3.701 -8.442 1.00 0.00 H ATOM 2230 N ILE C 31 34.378 1.342 -9.575 1.00 19.19 N ATOM 2231 CA ILE C 31 34.016 -0.092 -9.677 1.00 19.67 C ATOM 2232 C ILE C 31 33.305 -0.440 -10.988 1.00 20.06 C ATOM 2233 O ILE C 31 33.707 -1.393 -11.669 1.00 20.11 O ATOM 2234 CB ILE C 31 33.173 -0.573 -8.486 1.00 19.99 C ATOM 2235 CG1 ILE C 31 33.866 -0.274 -7.147 1.00 20.55 C ATOM 2236 CG2 ILE C 31 32.864 -2.063 -8.624 1.00 20.48 C ATOM 2237 CD1 ILE C 31 35.185 -1.010 -6.934 1.00 20.45 C ATOM 2238 H ILE C 31 33.623 2.057 -9.547 1.00 0.00 H ATOM 2239 N SER C 32 32.221 0.257 -11.318 1.00 20.52 N ATOM 2240 CA SER C 32 31.499 -0.095 -12.542 1.00 21.50 C ATOM 2241 C SER C 32 30.729 1.099 -13.075 1.00 22.02 C ATOM 2242 O SER C 32 30.884 2.234 -12.584 1.00 21.21 O ATOM 2243 CB SER C 32 30.601 -1.300 -12.340 1.00 22.35 C ATOM 2244 OG SER C 32 30.246 -1.877 -13.595 1.00 22.85 O ATOM 2245 HG SER C 32 31.067 -2.163 -14.069 1.00 0.00 H ATOM 2246 H SER C 32 31.892 1.039 -10.716 1.00 0.00 H ATOM 2247 N ARG C 33 29.998 0.847 -14.179 1.00 23.99 N ATOM 2248 CA ARG C 33 29.278 1.937 -14.832 1.00 26.96 C ATOM 2249 C ARG C 33 27.944 1.427 -15.351 1.00 27.05 C ATOM 2250 O ARG C 33 27.720 0.258 -15.560 1.00 23.99 O ATOM 2251 CB ARG C 33 30.119 2.620 -15.950 1.00 32.07 C ATOM 2252 CG ARG C 33 30.509 1.685 -17.025 1.00 35.37 C ATOM 2253 CD ARG C 33 31.611 2.106 -17.998 1.00 40.07 C ATOM 2254 NE ARG C 33 32.859 2.274 -17.266 1.00 44.63 N ATOM 2255 CZ ARG C 33 33.492 3.423 -17.041 1.00 48.55 C ATOM 2256 NH1 ARG C 33 34.623 3.408 -16.319 1.00 50.45 N ATOM 2257 NH2 ARG C 33 33.063 4.586 -17.542 1.00 51.74 N ATOM 2258 HE ARG C 33 33.298 1.413 -16.882 1.00 0.00 H ATOM 2259 HH12 ARG C 33 35.132 4.295 -16.132 1.00 0.00 H ATOM 2260 HH11 ARG C 33 34.990 2.509 -15.946 1.00 0.00 H ATOM 2261 HH22 ARG C 33 33.586 5.463 -17.343 1.00 0.00 H ATOM 2262 HH21 ARG C 33 32.206 4.614 -18.131 1.00 0.00 H ATOM 2263 H ARG C 33 29.947 -0.118 -14.564 1.00 0.00 H ATOM 2264 N ARG C 34 27.037 2.379 -15.508 1.00 28.34 N ATOM 2265 CA ARG C 34 25.670 2.108 -15.897 1.00 31.34 C ATOM 2266 C ARG C 34 25.594 1.402 -17.242 1.00 31.15 C ATOM 2267 O ARG C 34 24.690 0.590 -17.444 1.00 30.10 O ATOM 2268 CB ARG C 34 24.862 3.427 -15.888 1.00 34.70 C ATOM 2269 CG ARG C 34 23.400 3.227 -16.293 1.00 39.29 C ATOM 2270 CD ARG C 34 22.481 4.367 -15.929 1.00 42.76 C ATOM 2271 NE ARG C 34 22.277 4.451 -14.473 1.00 45.71 N ATOM 2272 CZ ARG C 34 21.334 3.815 -13.762 1.00 48.12 C ATOM 2273 NH1 ARG C 34 21.279 4.006 -12.446 1.00 49.61 N ATOM 2274 NH2 ARG C 34 20.455 2.992 -14.333 1.00 50.11 N ATOM 2275 HE ARG C 34 22.929 5.064 -13.943 1.00 0.00 H ATOM 2276 HH12 ARG C 34 20.554 3.521 -11.880 1.00 0.00 H ATOM 2277 HH11 ARG C 34 21.961 4.641 -11.984 1.00 0.00 H ATOM 2278 HH22 ARG C 34 19.736 2.515 -13.752 1.00 0.00 H ATOM 2279 HH21 ARG C 34 20.488 2.827 -15.359 1.00 0.00 H ATOM 2280 H ARG C 34 27.320 3.366 -15.344 1.00 0.00 H ATOM 2281 N ASP C 35 26.519 1.644 -18.159 1.00 31.80 N ATOM 2282 CA ASP C 35 26.529 0.904 -19.451 1.00 34.20 C ATOM 2283 C ASP C 35 26.633 -0.612 -19.272 1.00 32.25 C ATOM 2284 O ASP C 35 26.205 -1.361 -20.156 1.00 31.56 O ATOM 2285 CB ASP C 35 27.639 1.367 -20.377 1.00 37.97 C ATOM 2286 CG ASP C 35 27.354 2.733 -20.987 1.00 42.97 C ATOM 2287 OD1 ASP C 35 28.312 3.364 -21.495 1.00 47.17 O ATOM 2288 OD2 ASP C 35 26.181 3.195 -20.948 1.00 45.75 O ATOM 2289 H ASP C 35 27.249 2.361 -17.974 1.00 0.00 H ATOM 2290 N TRP C 36 27.192 -1.047 -18.138 1.00 29.17 N ATOM 2291 CA TRP C 36 27.351 -2.480 -17.867 1.00 29.10 C ATOM 2292 C TRP C 36 26.281 -3.073 -16.959 1.00 28.16 C ATOM 2293 O TRP C 36 26.331 -4.248 -16.601 1.00 27.00 O ATOM 2294 CB TRP C 36 28.744 -2.767 -17.270 1.00 30.89 C ATOM 2295 CG TRP C 36 29.872 -2.310 -18.157 1.00 33.26 C ATOM 2296 CD1 TRP C 36 29.851 -2.199 -19.516 1.00 35.68 C ATOM 2297 CD2 TRP C 36 31.179 -1.910 -17.748 1.00 36.08 C ATOM 2298 NE1 TRP C 36 31.041 -1.694 -19.974 1.00 37.27 N ATOM 2299 CE2 TRP C 36 31.871 -1.496 -18.905 1.00 37.08 C ATOM 2300 CE3 TRP C 36 31.807 -1.776 -16.504 1.00 37.48 C ATOM 2301 CZ2 TRP C 36 33.183 -1.014 -18.857 1.00 38.31 C ATOM 2302 CZ3 TRP C 36 33.134 -1.369 -16.461 1.00 37.75 C ATOM 2303 CH2 TRP C 36 33.797 -0.957 -17.631 1.00 38.35 C ATOM 2304 HE1 TRP C 36 31.273 -1.495 -20.968 1.00 0.00 H ATOM 2305 H TRP C 36 27.521 -0.356 -17.434 1.00 0.00 H ATOM 2306 N LEU C 37 25.292 -2.284 -16.594 1.00 27.61 N ATOM 2307 CA LEU C 37 24.352 -2.690 -15.551 1.00 29.31 C ATOM 2308 C LEU C 37 23.432 -3.609 -16.304 1.00 31.10 C ATOM 2309 O LEU C 37 23.135 -3.368 -17.479 1.00 32.21 O ATOM 2310 CB LEU C 37 23.639 -1.469 -14.950 1.00 29.82 C ATOM 2311 CG LEU C 37 22.695 -1.495 -13.746 1.00 30.66 C ATOM 2312 CD1 LEU C 37 23.230 -2.309 -12.586 1.00 29.99 C ATOM 2313 CD2 LEU C 37 22.436 -0.057 -13.317 1.00 31.18 C ATOM 2314 H LEU C 37 25.178 -1.359 -17.055 1.00 0.00 H ATOM 2315 N LEU C 38 22.939 -4.646 -15.616 1.00 29.97 N ATOM 2316 CA LEU C 38 22.008 -5.580 -16.218 1.00 31.53 C ATOM 2317 C LEU C 38 20.606 -5.482 -15.615 1.00 32.38 C ATOM 2318 O LEU C 38 20.439 -5.784 -14.454 1.00 32.91 O ATOM 2319 CB LEU C 38 22.550 -6.960 -16.055 1.00 31.71 C ATOM 2320 CG LEU C 38 23.909 -7.258 -16.683 1.00 31.63 C ATOM 2321 CD1 LEU C 38 24.414 -8.618 -16.231 1.00 32.30 C ATOM 2322 CD2 LEU C 38 23.856 -7.195 -18.200 1.00 32.86 C ATOM 2323 H LEU C 38 23.230 -4.785 -14.627 1.00 0.00 H ATOM 2324 N PRO C 39 19.629 -4.980 -16.397 1.00 32.70 N ATOM 2325 CA PRO C 39 18.259 -4.890 -15.868 1.00 32.90 C ATOM 2326 C PRO C 39 17.510 -6.237 -15.902 1.00 32.16 C ATOM 2327 O PRO C 39 17.853 -7.050 -16.753 1.00 30.77 O ATOM 2328 CB PRO C 39 17.596 -3.915 -16.835 1.00 34.34 C ATOM 2329 CG PRO C 39 18.306 -4.124 -18.131 1.00 33.89 C ATOM 2330 CD PRO C 39 19.728 -4.447 -17.774 1.00 33.45 C ATOM 2331 N MET C 40 16.599 -6.486 -14.955 1.00 32.47 N ATOM 2332 CA MET C 40 15.639 -7.591 -15.113 1.00 33.07 C ATOM 2333 C MET C 40 14.319 -6.886 -15.234 1.00 32.85 C ATOM 2334 O MET C 40 13.822 -6.246 -14.286 1.00 32.33 O ATOM 2335 CB MET C 40 15.598 -8.588 -13.939 1.00 35.31 C ATOM 2336 CG MET C 40 14.787 -9.832 -14.171 1.00 37.30 C ATOM 2337 SD MET C 40 14.664 -10.761 -12.624 1.00 41.75 S ATOM 2338 CE MET C 40 16.230 -11.595 -12.773 1.00 40.26 C ATOM 2339 H MET C 40 16.568 -5.894 -14.100 1.00 0.00 H ATOM 2340 N GLY C 41 13.725 -7.006 -16.415 1.00 32.16 N ATOM 2341 CA GLY C 41 12.464 -6.280 -16.715 1.00 32.69 C ATOM 2342 C GLY C 41 12.638 -4.769 -16.544 1.00 33.34 C ATOM 2343 O GLY C 41 13.545 -4.145 -17.139 1.00 32.19 O ATOM 2344 H GLY C 41 14.149 -7.618 -17.141 1.00 0.00 H ATOM 2345 N GLY C 42 11.844 -4.193 -15.653 1.00 34.22 N ATOM 2346 CA GLY C 42 11.915 -2.760 -15.322 1.00 35.46 C ATOM 2347 C GLY C 42 12.832 -2.388 -14.166 1.00 36.30 C ATOM 2348 O GLY C 42 12.953 -1.209 -13.829 1.00 38.23 O ATOM 2349 H GLY C 42 11.138 -4.780 -15.165 1.00 0.00 H ATOM 2350 N ASP C 43 13.497 -3.368 -13.567 1.00 36.54 N ATOM 2351 CA ASP C 43 14.326 -3.166 -12.382 1.00 36.91 C ATOM 2352 C ASP C 43 15.828 -3.224 -12.647 1.00 36.26 C ATOM 2353 O ASP C 43 16.358 -4.174 -13.144 1.00 37.44 O ATOM 2354 CB ASP C 43 14.009 -4.259 -11.376 1.00 37.94 C ATOM 2355 CG ASP C 43 12.597 -4.224 -10.852 1.00 40.10 C ATOM 2356 OD1 ASP C 43 12.010 -3.121 -10.742 1.00 41.52 O ATOM 2357 OD2 ASP C 43 12.090 -5.325 -10.495 1.00 40.76 O ATOM 2358 H ASP C 43 13.424 -4.328 -13.961 1.00 0.00 H ATOM 2359 N HIS C 44 16.498 -2.135 -12.295 1.00 35.34 N ATOM 2360 CA HIS C 44 17.958 -2.104 -12.315 1.00 35.59 C ATOM 2361 C HIS C 44 18.507 -2.759 -11.062 1.00 36.01 C ATOM 2362 O HIS C 44 19.577 -3.347 -11.083 1.00 36.04 O ATOM 2363 CB HIS C 44 18.491 -0.665 -12.346 1.00 35.06 C ATOM 2364 H HIS C 44 15.974 -1.287 -11.999 1.00 0.00 H ATOM 2365 N GLU C 45 17.808 -2.592 -9.941 1.00 37.58 N ATOM 2366 CA GLU C 45 18.255 -3.073 -8.620 1.00 38.84 C ATOM 2367 C GLU C 45 17.323 -4.206 -8.235 1.00 39.67 C ATOM 2368 O GLU C 45 16.112 -4.229 -8.584 1.00 38.54 O ATOM 2369 CB GLU C 45 18.319 -1.929 -7.551 1.00 40.94 C ATOM 2370 CG GLU C 45 17.175 -0.963 -7.480 1.00 43.70 C ATOM 2371 CD GLU C 45 17.519 0.220 -6.605 1.00 44.77 C ATOM 2372 OE1 GLU C 45 18.307 1.103 -7.034 1.00 45.24 O ATOM 2373 OE2 GLU C 45 16.983 0.294 -5.482 1.00 47.95 O ATOM 2374 H GLU C 45 16.896 -2.095 -10.000 1.00 0.00 H ATOM 2375 N HIS C 46 17.854 -5.171 -7.487 1.00 39.22 N ATOM 2376 CA HIS C 46 17.087 -6.338 -7.031 1.00 42.06 C ATOM 2377 C HIS C 46 17.269 -6.511 -5.544 1.00 42.74 C ATOM 2378 O HIS C 46 18.427 -6.606 -5.086 1.00 42.36 O ATOM 2379 CB HIS C 46 17.476 -7.608 -7.789 1.00 43.22 C ATOM 2380 CG HIS C 46 17.650 -7.392 -9.259 1.00 43.30 C ATOM 2381 ND1 HIS C 46 18.895 -7.325 -9.844 1.00 43.20 N ATOM 2382 CD2 HIS C 46 16.758 -7.100 -10.233 1.00 44.56 C ATOM 2383 CE1 HIS C 46 18.756 -7.070 -11.132 1.00 43.14 C ATOM 2384 NE2 HIS C 46 17.474 -6.901 -11.386 1.00 44.24 N ATOM 2385 H HIS C 46 18.855 -5.095 -7.214 1.00 0.00 H ATOM 2386 N VAL C 47 16.119 -6.582 -4.866 1.00 43.98 N ATOM 2387 CA VAL C 47 16.021 -6.587 -3.427 1.00 44.48 C ATOM 2388 C VAL C 47 16.071 -8.046 -2.977 1.00 44.97 C ATOM 2389 O VAL C 47 15.271 -8.881 -3.413 1.00 45.36 O ATOM 2390 CB VAL C 47 14.698 -5.942 -2.952 1.00 47.59 C ATOM 2391 CG1 VAL C 47 14.646 -5.913 -1.434 1.00 48.96 C ATOM 2392 CG2 VAL C 47 14.537 -4.534 -3.512 1.00 47.34 C ATOM 2393 H VAL C 47 15.236 -6.637 -5.413 1.00 0.00 H ATOM 2394 N VAL C 48 17.003 -8.314 -2.079 1.00 43.38 N ATOM 2395 CA VAL C 48 17.285 -9.664 -1.629 1.00 44.41 C ATOM 2396 C VAL C 48 17.500 -9.664 -0.123 1.00 45.64 C ATOM 2397 O VAL C 48 17.716 -8.612 0.486 1.00 44.47 O ATOM 2398 CB VAL C 48 18.525 -10.258 -2.340 1.00 43.38 C ATOM 2399 CG1 VAL C 48 18.222 -10.495 -3.815 1.00 42.53 C ATOM 2400 CG2 VAL C 48 19.730 -9.374 -2.161 1.00 41.64 C ATOM 2401 H VAL C 48 17.555 -7.528 -1.680 1.00 0.00 H ATOM 2402 N PHE C 49 17.444 -10.860 0.460 1.00 48.54 N ATOM 2403 CA PHE C 49 17.715 -11.001 1.891 1.00 50.14 C ATOM 2404 C PHE C 49 18.758 -12.120 2.043 1.00 49.22 C ATOM 2405 O PHE C 49 18.651 -13.156 1.393 1.00 48.33 O ATOM 2406 CB PHE C 49 16.476 -11.455 2.621 1.00 54.56 C ATOM 2407 CG PHE C 49 15.260 -10.572 2.484 1.00 57.04 C ATOM 2408 CD1 PHE C 49 14.960 -9.645 3.460 1.00 59.30 C ATOM 2409 CD2 PHE C 49 14.389 -10.721 1.401 1.00 57.96 C ATOM 2410 CE1 PHE C 49 13.820 -8.853 3.355 1.00 61.41 C ATOM 2411 CE2 PHE C 49 13.264 -9.928 1.280 1.00 59.82 C ATOM 2412 CZ PHE C 49 12.966 -8.992 2.262 1.00 61.31 C ATOM 2413 H PHE C 49 17.206 -11.700 -0.106 1.00 0.00 H ATOM 2414 N ASN C 50 19.730 -11.924 2.920 1.00 48.41 N ATOM 2415 CA ASN C 50 20.701 -12.982 3.226 1.00 48.78 C ATOM 2416 C ASN C 50 20.110 -14.022 4.191 1.00 51.63 C ATOM 2417 O ASN C 50 18.936 -13.889 4.561 1.00 52.96 O ATOM 2418 CB ASN C 50 22.015 -12.343 3.664 1.00 47.37 C ATOM 2419 CG ASN C 50 21.975 -11.751 5.093 1.00 48.69 C ATOM 2420 OD1 ASN C 50 20.974 -11.866 5.820 1.00 50.65 O ATOM 2421 ND2 ASN C 50 23.065 -11.110 5.476 1.00 48.32 N ATOM 2422 HD22 ASN C 50 23.879 -11.039 4.833 1.00 0.00 H ATOM 2423 HD21 ASN C 50 23.109 -10.676 6.420 1.00 0.00 H ATOM 2424 H ASN C 50 19.807 -11.005 3.400 1.00 0.00 H ATOM 2425 N PRO C 51 20.864 -15.060 4.576 1.00 53.38 N ATOM 2426 CA PRO C 51 20.245 -16.066 5.459 1.00 56.68 C ATOM 2427 C PRO C 51 19.830 -15.544 6.845 1.00 59.62 C ATOM 2428 O PRO C 51 18.992 -16.165 7.501 1.00 62.18 O ATOM 2429 CB PRO C 51 21.321 -17.151 5.573 1.00 57.20 C ATOM 2430 CG PRO C 51 22.397 -16.823 4.582 1.00 54.35 C ATOM 2431 CD PRO C 51 22.188 -15.464 4.075 1.00 51.72 C ATOM 2432 N ALA C 52 20.424 -14.430 7.274 1.00 59.04 N ATOM 2433 CA ALA C 52 20.057 -13.797 8.537 1.00 62.44 C ATOM 2434 C ALA C 52 18.872 -12.862 8.380 1.00 63.79 C ATOM 2435 O ALA C 52 18.463 -12.243 9.355 1.00 65.82 O ATOM 2436 CB ALA C 52 21.242 -13.047 9.121 1.00 61.06 C ATOM 2437 H ALA C 52 21.171 -14.000 6.692 1.00 0.00 H ATOM 2438 N GLY C 53 18.313 -12.774 7.169 1.00 64.45 N ATOM 2439 CA GLY C 53 17.185 -11.878 6.880 1.00 65.58 C ATOM 2440 C GLY C 53 17.529 -10.397 6.708 1.00 65.25 C ATOM 2441 O GLY C 53 16.624 -9.560 6.634 1.00 65.81 O ATOM 2442 H GLY C 53 18.692 -13.363 6.400 1.00 0.00 H ATOM 2443 N MET C 54 18.817 -10.061 6.614 1.00 65.56 N ATOM 2444 CA MET C 54 19.210 -8.680 6.317 1.00 66.05 C ATOM 2445 C MET C 54 18.907 -8.380 4.846 1.00 63.88 C ATOM 2446 O MET C 54 19.232 -9.191 3.981 1.00 63.33 O ATOM 2447 CB MET C 54 20.694 -8.453 6.597 1.00 67.15 C ATOM 2448 CG MET C 54 21.179 -7.041 6.236 1.00 67.47 C ATOM 2449 SD MET C 54 22.865 -6.583 6.706 1.00 70.75 S ATOM 2450 CE MET C 54 23.087 -5.071 5.759 1.00 67.64 C ATOM 2451 H MET C 54 19.550 -10.786 6.753 1.00 0.00 H ATOM 2452 N ILE C 55 18.291 -7.233 4.586 1.00 63.16 N ATOM 2453 CA ILE C 55 17.898 -6.814 3.245 1.00 61.59 C ATOM 2454 C ILE C 55 18.987 -6.013 2.537 1.00 57.65 C ATOM 2455 O ILE C 55 19.628 -5.172 3.154 1.00 57.89 O ATOM 2456 CB ILE C 55 16.605 -5.975 3.302 1.00 64.13 C ATOM 2457 CG1 ILE C 55 15.981 -5.824 1.922 1.00 63.92 C ATOM 2458 CG2 ILE C 55 16.841 -4.588 3.921 1.00 64.24 C ATOM 2459 CD1 ILE C 55 14.521 -5.389 2.020 1.00 66.32 C ATOM 2460 H ILE C 55 18.077 -6.599 5.382 1.00 0.00 H ATOM 2461 N PHE C 56 19.203 -6.308 1.257 1.00 52.87 N ATOM 2462 CA PHE C 56 20.162 -5.582 0.437 1.00 48.81 C ATOM 2463 C PHE C 56 19.504 -5.248 -0.895 1.00 44.72 C ATOM 2464 O PHE C 56 18.691 -6.008 -1.423 1.00 42.96 O ATOM 2465 CB PHE C 56 21.398 -6.418 0.089 1.00 49.25 C ATOM 2466 CG PHE C 56 22.158 -6.955 1.264 1.00 52.10 C ATOM 2467 CD1 PHE C 56 23.167 -6.214 1.856 1.00 52.34 C ATOM 2468 CD2 PHE C 56 21.923 -8.237 1.721 1.00 54.57 C ATOM 2469 CE1 PHE C 56 23.901 -6.731 2.922 1.00 54.20 C ATOM 2470 CE2 PHE C 56 22.648 -8.767 2.776 1.00 56.57 C ATOM 2471 CZ PHE C 56 23.647 -8.018 3.371 1.00 56.00 C ATOM 2472 H PHE C 56 18.666 -7.087 0.826 1.00 0.00 H ATOM 2473 N ARG C 57 19.922 -4.129 -1.468 1.00 41.17 N ATOM 2474 CA ARG C 57 19.643 -3.801 -2.852 1.00 39.20 C ATOM 2475 C ARG C 57 20.902 -4.123 -3.654 1.00 35.13 C ATOM 2476 O ARG C 57 21.932 -3.511 -3.426 1.00 35.42 O ATOM 2477 CB ARG C 57 19.214 -2.344 -2.946 1.00 40.90 C ATOM 2478 CG ARG C 57 17.900 -2.212 -2.183 1.00 44.43 C ATOM 2479 CD ARG C 57 17.265 -0.832 -2.061 1.00 46.34 C ATOM 2480 NE ARG C 57 15.792 -0.921 -2.092 1.00 49.24 N ATOM 2481 CZ ARG C 57 14.965 -0.952 -1.042 1.00 53.03 C ATOM 2482 NH1 ARG C 57 15.411 -0.870 0.214 1.00 55.33 N ATOM 2483 NH2 ARG C 57 13.653 -1.046 -1.256 1.00 54.11 N ATOM 2484 HE ARG C 57 15.350 -0.964 -3.032 1.00 0.00 H ATOM 2485 HH12 ARG C 57 14.739 -0.897 1.007 1.00 0.00 H ATOM 2486 HH11 ARG C 57 16.430 -0.779 0.399 1.00 0.00 H ATOM 2487 HH22 ARG C 57 12.995 -1.071 -0.451 1.00 0.00 H ATOM 2488 HH21 ARG C 57 13.287 -1.094 -2.228 1.00 0.00 H ATOM 2489 H ARG C 57 20.475 -3.456 -0.900 1.00 0.00 H ATOM 2490 N VAL C 58 20.797 -5.115 -4.530 1.00 32.04 N ATOM 2491 CA VAL C 58 21.900 -5.581 -5.349 1.00 30.22 C ATOM 2492 C VAL C 58 21.764 -5.037 -6.766 1.00 28.88 C ATOM 2493 O VAL C 58 20.675 -5.110 -7.350 1.00 28.04 O ATOM 2494 CB VAL C 58 21.959 -7.129 -5.359 1.00 30.60 C ATOM 2495 CG1 VAL C 58 22.980 -7.649 -6.371 1.00 30.08 C ATOM 2496 CG2 VAL C 58 22.420 -7.605 -3.986 1.00 31.64 C ATOM 2497 H VAL C 58 19.874 -5.583 -4.635 1.00 0.00 H ATOM 2498 N TRP C 59 22.852 -4.483 -7.286 1.00 26.77 N ATOM 2499 CA TRP C 59 22.941 -4.123 -8.705 1.00 27.50 C ATOM 2500 C TRP C 59 23.819 -5.125 -9.421 1.00 26.36 C ATOM 2501 O TRP C 59 24.908 -5.401 -8.933 1.00 27.40 O ATOM 2502 CB TRP C 59 23.601 -2.762 -8.851 1.00 27.88 C ATOM 2503 CG TRP C 59 22.787 -1.525 -8.631 1.00 30.18 C ATOM 2504 CD1 TRP C 59 21.619 -1.213 -9.235 1.00 31.77 C ATOM 2505 CD2 TRP C 59 23.198 -0.337 -7.936 1.00 31.54 C ATOM 2506 NE1 TRP C 59 21.186 0.054 -8.845 1.00 33.20 N ATOM 2507 CE2 TRP C 59 22.169 0.622 -8.083 1.00 32.81 C ATOM 2508 CE3 TRP C 59 24.329 -0.003 -7.185 1.00 31.95 C ATOM 2509 CZ2 TRP C 59 22.242 1.884 -7.505 1.00 33.73 C ATOM 2510 CZ3 TRP C 59 24.386 1.245 -6.593 1.00 32.78 C ATOM 2511 CH2 TRP C 59 23.348 2.171 -6.756 1.00 33.50 C ATOM 2512 HE1 TRP C 59 20.275 0.491 -9.091 1.00 0.00 H ATOM 2513 H TRP C 59 23.668 -4.298 -6.668 1.00 0.00 H ATOM 2514 N CYS C 60 23.342 -5.690 -10.529 1.00 26.00 N ATOM 2515 CA CYS C 60 24.143 -6.618 -11.311 1.00 25.37 C ATOM 2516 C CYS C 60 24.819 -5.925 -12.479 1.00 24.41 C ATOM 2517 O CYS C 60 24.168 -5.209 -13.192 1.00 24.91 O ATOM 2518 CB CYS C 60 23.299 -7.772 -11.845 1.00 26.27 C ATOM 2519 SG CYS C 60 22.521 -8.713 -10.511 1.00 27.72 S ATOM 2520 H CYS C 60 22.376 -5.463 -10.841 1.00 0.00 H ATOM 2521 N PHE C 61 26.113 -6.177 -12.653 1.00 24.00 N ATOM 2522 CA PHE C 61 26.925 -5.568 -13.728 1.00 23.53 C ATOM 2523 C PHE C 61 27.676 -6.653 -14.487 1.00 23.39 C ATOM 2524 O PHE C 61 28.199 -7.580 -13.881 1.00 23.44 O ATOM 2525 CB PHE C 61 27.963 -4.611 -13.173 1.00 22.81 C ATOM 2526 CG PHE C 61 27.407 -3.446 -12.415 1.00 23.15 C ATOM 2527 CD1 PHE C 61 27.130 -2.261 -13.068 1.00 22.96 C ATOM 2528 CD2 PHE C 61 27.251 -3.494 -11.036 1.00 23.48 C ATOM 2529 CE1 PHE C 61 26.681 -1.145 -12.370 1.00 23.52 C ATOM 2530 CE2 PHE C 61 26.801 -2.396 -10.335 1.00 23.38 C ATOM 2531 CZ PHE C 61 26.498 -1.218 -10.992 1.00 23.63 C ATOM 2532 H PHE C 61 26.579 -6.837 -11.998 1.00 0.00 H ATOM 2533 N SER C 62 27.711 -6.561 -15.807 1.00 23.36 N ATOM 2534 CA SER C 62 28.425 -7.536 -16.609 1.00 23.39 C ATOM 2535 C SER C 62 29.937 -7.489 -16.404 1.00 23.67 C ATOM 2536 O SER C 62 30.626 -8.505 -16.530 1.00 24.05 O ATOM 2537 CB SER C 62 28.110 -7.298 -18.096 1.00 24.70 C ATOM 2538 OG SER C 62 28.505 -5.997 -18.464 1.00 27.12 O ATOM 2539 HG SER C 62 28.013 -5.336 -17.914 1.00 0.00 H ATOM 2540 H SER C 62 27.218 -5.776 -16.277 1.00 0.00 H ATOM 2541 N LEU C 63 30.434 -6.286 -16.144 1.00 22.05 N ATOM 2542 CA LEU C 63 31.844 -6.020 -15.970 1.00 22.01 C ATOM 2543 C LEU C 63 32.083 -5.133 -14.782 1.00 21.34 C ATOM 2544 O LEU C 63 31.215 -4.327 -14.455 1.00 20.61 O ATOM 2545 CB LEU C 63 32.415 -5.332 -17.207 1.00 22.70 C ATOM 2546 CG LEU C 63 32.413 -6.136 -18.516 1.00 23.91 C ATOM 2547 CD1 LEU C 63 32.709 -5.286 -19.748 1.00 24.94 C ATOM 2548 CD2 LEU C 63 33.334 -7.347 -18.371 1.00 24.36 C ATOM 2549 H LEU C 63 29.771 -5.489 -16.061 1.00 0.00 H ATOM 2550 N ALA C 64 33.248 -5.285 -14.166 1.00 20.55 N ATOM 2551 CA ALA C 64 33.649 -4.356 -13.082 1.00 20.88 C ATOM 2552 C ALA C 64 35.145 -4.265 -13.053 1.00 21.18 C ATOM 2553 O ALA C 64 35.832 -5.072 -13.702 1.00 21.13 O ATOM 2554 CB ALA C 64 33.128 -4.872 -11.746 1.00 21.46 C ATOM 2555 H ALA C 64 33.883 -6.060 -14.445 1.00 0.00 H ATOM 2556 N GLN C 65 35.637 -3.288 -12.311 1.00 21.57 N ATOM 2557 CA GLN C 65 37.068 -3.120 -12.109 1.00 22.36 C ATOM 2558 C GLN C 65 37.311 -2.780 -10.657 1.00 21.00 C ATOM 2559 O GLN C 65 36.380 -2.461 -9.927 1.00 19.78 O ATOM 2560 CB GLN C 65 37.627 -1.998 -12.980 1.00 24.54 C ATOM 2561 CG GLN C 65 36.936 -0.669 -12.775 1.00 26.70 C ATOM 2562 CD GLN C 65 37.446 0.416 -13.706 1.00 30.20 C ATOM 2563 OE1 GLN C 65 38.297 1.207 -13.317 1.00 32.09 O ATOM 2564 NE2 GLN C 65 36.945 0.451 -14.939 1.00 34.12 N ATOM 2565 HE22 GLN C 65 36.224 -0.240 -15.227 1.00 0.00 H ATOM 2566 HE21 GLN C 65 37.275 1.170 -15.614 1.00 0.00 H ATOM 2567 H GLN C 65 34.982 -2.619 -11.858 1.00 0.00 H ATOM 2568 N GLY C 66 38.578 -2.830 -10.274 1.00 20.03 N ATOM 2569 CA GLY C 66 38.959 -2.276 -8.977 1.00 20.40 C ATOM 2570 C GLY C 66 38.611 -3.157 -7.784 1.00 20.81 C ATOM 2571 O GLY C 66 38.744 -2.715 -6.642 1.00 19.85 O ATOM 2572 H GLY C 66 39.296 -3.260 -10.892 1.00 0.00 H ATOM 2573 N LEU C 67 38.165 -4.392 -8.035 1.00 20.38 N ATOM 2574 CA LEU C 67 37.819 -5.298 -6.947 1.00 21.35 C ATOM 2575 C LEU C 67 38.959 -6.278 -6.764 1.00 22.84 C ATOM 2576 O LEU C 67 39.870 -6.337 -7.589 1.00 21.52 O ATOM 2577 CB LEU C 67 36.533 -6.076 -7.284 1.00 21.66 C ATOM 2578 CG LEU C 67 35.283 -5.216 -7.496 1.00 21.27 C ATOM 2579 CD1 LEU C 67 34.245 -5.956 -8.357 1.00 21.61 C ATOM 2580 CD2 LEU C 67 34.729 -4.802 -6.137 1.00 21.56 C ATOM 2581 H LEU C 67 38.064 -4.711 -9.020 1.00 0.00 H ATOM 2582 N ARG C 68 38.897 -7.049 -5.675 1.00 24.26 N ATOM 2583 CA ARG C 68 39.691 -8.255 -5.512 1.00 26.69 C ATOM 2584 C ARG C 68 38.742 -9.379 -5.173 1.00 27.20 C ATOM 2585 O ARG C 68 37.985 -9.258 -4.198 1.00 25.57 O ATOM 2586 CB ARG C 68 40.689 -8.052 -4.378 1.00 29.47 C ATOM 2587 CG ARG C 68 41.624 -9.203 -4.144 1.00 33.23 C ATOM 2588 CD ARG C 68 42.939 -8.725 -3.505 1.00 35.91 C ATOM 2589 NE ARG C 68 42.712 -7.956 -2.275 1.00 38.23 N ATOM 2590 CZ ARG C 68 42.609 -8.466 -1.047 1.00 41.03 C ATOM 2591 NH1 ARG C 68 42.730 -9.776 -0.822 1.00 44.76 N ATOM 2592 NH2 ARG C 68 42.391 -7.649 -0.017 1.00 41.20 N ATOM 2593 HE ARG C 68 42.624 -6.924 -2.370 1.00 0.00 H ATOM 2594 HH12 ARG C 68 42.645 -10.147 0.146 1.00 0.00 H ATOM 2595 HH11 ARG C 68 42.909 -10.425 -1.614 1.00 0.00 H ATOM 2596 HH22 ARG C 68 42.309 -8.036 0.945 1.00 0.00 H ATOM 2597 HH21 ARG C 68 42.303 -6.625 -0.175 1.00 0.00 H ATOM 2598 H ARG C 68 38.251 -6.773 -4.908 1.00 0.00 H ATOM 2599 N LEU C 69 38.758 -10.439 -5.973 1.00 27.46 N ATOM 2600 CA LEU C 69 37.899 -11.599 -5.732 1.00 30.15 C ATOM 2601 C LEU C 69 38.662 -12.585 -4.876 1.00 32.66 C ATOM 2602 O LEU C 69 39.818 -12.910 -5.204 1.00 35.11 O ATOM 2603 CB LEU C 69 37.451 -12.257 -7.035 1.00 30.16 C ATOM 2604 CG LEU C 69 36.850 -11.290 -8.062 1.00 29.36 C ATOM 2605 CD1 LEU C 69 36.321 -12.087 -9.261 1.00 30.36 C ATOM 2606 CD2 LEU C 69 35.717 -10.464 -7.447 1.00 28.40 C ATOM 2607 H LEU C 69 39.398 -10.445 -6.793 1.00 0.00 H ATOM 2608 N ILE C 70 38.065 -13.034 -3.780 1.00 34.00 N ATOM 2609 CA ILE C 70 38.794 -13.845 -2.808 1.00 36.20 C ATOM 2610 C ILE C 70 38.160 -15.205 -2.670 1.00 38.24 C ATOM 2611 O ILE C 70 36.962 -15.282 -2.550 1.00 38.03 O ATOM 2612 CB ILE C 70 38.902 -13.182 -1.404 1.00 37.67 C ATOM 2613 CG1 ILE C 70 37.570 -12.679 -0.898 1.00 37.42 C ATOM 2614 CG2 ILE C 70 39.834 -11.977 -1.482 1.00 37.24 C ATOM 2615 CD1 ILE C 70 37.544 -12.552 0.602 1.00 38.72 C ATOM 2616 H ILE C 70 37.065 -12.806 -3.610 1.00 0.00 H ATOM 2617 N GLY C 71 38.958 -16.263 -2.598 1.00 40.32 N ATOM 2618 CA GLY C 71 38.469 -17.572 -2.162 1.00 42.66 C ATOM 2619 C GLY C 71 37.789 -18.374 -3.247 1.00 43.25 C ATOM 2620 O GLY C 71 37.788 -17.977 -4.415 1.00 41.91 O ATOM 2621 H GLY C 71 39.959 -16.159 -2.859 1.00 0.00 H ATOM 2622 N ALA C 72 37.267 -19.528 -2.850 1.00 45.62 N ATOM 2623 CA ALA C 72 36.698 -20.482 -3.785 1.00 45.63 C ATOM 2624 C ALA C 72 35.207 -20.199 -3.939 1.00 44.54 C ATOM 2625 O ALA C 72 34.589 -19.698 -3.011 1.00 44.50 O ATOM 2626 CB ALA C 72 36.919 -21.902 -3.302 1.00 48.32 C ATOM 2627 H ALA C 72 37.266 -19.756 -1.835 1.00 0.00 H ATOM 2628 N PRO C 73 34.642 -20.502 -5.110 1.00 43.39 N ATOM 2629 CA PRO C 73 33.202 -20.248 -5.312 1.00 42.23 C ATOM 2630 C PRO C 73 32.317 -21.086 -4.403 1.00 43.17 C ATOM 2631 O PRO C 73 32.689 -22.194 -4.036 1.00 44.40 O ATOM 2632 CB PRO C 73 32.971 -20.632 -6.778 1.00 41.98 C ATOM 2633 CG PRO C 73 34.322 -20.637 -7.401 1.00 42.04 C ATOM 2634 CD PRO C 73 35.273 -21.050 -6.323 1.00 43.52 C ATOM 2635 N SER C 74 31.160 -20.537 -4.044 1.00 41.60 N ATOM 2636 CA SER C 74 30.184 -21.227 -3.211 1.00 42.95 C ATOM 2637 C SER C 74 28.797 -21.056 -3.810 1.00 41.90 C ATOM 2638 O SER C 74 28.436 -19.987 -4.263 1.00 39.31 O ATOM 2639 CB SER C 74 30.190 -20.663 -1.789 1.00 43.57 C ATOM 2640 OG SER C 74 29.203 -21.307 -1.017 1.00 45.26 O ATOM 2641 HG SER C 74 29.212 -20.938 -0.098 1.00 0.00 H ATOM 2642 H SER C 74 30.943 -19.574 -4.372 1.00 0.00 H ATOM 2643 N GLY C 75 28.017 -22.137 -3.770 1.00 43.49 N ATOM 2644 CA GLY C 75 26.622 -22.107 -4.138 1.00 43.70 C ATOM 2645 C GLY C 75 25.684 -21.741 -2.990 1.00 44.68 C ATOM 2646 O GLY C 75 24.495 -21.551 -3.223 1.00 44.55 O ATOM 2647 H GLY C 75 28.431 -23.039 -3.461 1.00 0.00 H ATOM 2648 N GLU C 76 26.195 -21.657 -1.761 1.00 45.55 N ATOM 2649 CA GLU C 76 25.348 -21.491 -0.575 1.00 47.11 C ATOM 2650 C GLU C 76 24.521 -20.217 -0.590 1.00 44.86 C ATOM 2651 O GLU C 76 25.080 -19.138 -0.728 1.00 42.16 O ATOM 2652 CB GLU C 76 26.192 -21.446 0.707 1.00 48.73 C ATOM 2653 CG GLU C 76 25.399 -21.844 1.948 1.00 52.01 C ATOM 2654 CD GLU C 76 26.276 -22.108 3.167 1.00 53.79 C ATOM 2655 OE1 GLU C 76 27.202 -21.311 3.400 1.00 52.86 O ATOM 2656 OE2 GLU C 76 26.029 -23.090 3.899 1.00 57.53 O ATOM 2657 H GLU C 76 27.226 -21.711 -1.640 1.00 0.00 H ATOM 2658 N PHE C 77 23.201 -20.384 -0.448 1.00 45.11 N ATOM 2659 CA PHE C 77 22.231 -19.303 -0.432 1.00 44.17 C ATOM 2660 C PHE C 77 22.324 -18.311 -1.596 1.00 40.14 C ATOM 2661 O PHE C 77 21.939 -17.150 -1.469 1.00 38.07 O ATOM 2662 CB PHE C 77 22.263 -18.588 0.911 1.00 45.72 C ATOM 2663 CG PHE C 77 21.083 -18.924 1.790 1.00 49.49 C ATOM 2664 CD1 PHE C 77 19.799 -18.520 1.429 1.00 50.21 C ATOM 2665 CD2 PHE C 77 21.256 -19.618 2.971 1.00 52.46 C ATOM 2666 CE1 PHE C 77 18.716 -18.811 2.226 1.00 52.62 C ATOM 2667 CE2 PHE C 77 20.170 -19.921 3.777 1.00 55.47 C ATOM 2668 CZ PHE C 77 18.896 -19.514 3.406 1.00 55.70 C ATOM 2669 H PHE C 77 22.845 -21.355 -0.342 1.00 0.00 H ATOM 2670 N SER C 78 22.782 -18.789 -2.741 1.00 38.49 N ATOM 2671 CA SER C 78 22.930 -17.888 -3.891 1.00 35.67 C ATOM 2672 C SER C 78 21.576 -17.295 -4.272 1.00 35.34 C ATOM 2673 O SER C 78 20.575 -18.015 -4.401 1.00 36.06 O ATOM 2674 CB SER C 78 23.501 -18.619 -5.085 1.00 35.17 C ATOM 2675 OG SER C 78 23.623 -17.724 -6.163 1.00 33.53 O ATOM 2676 HG SER C 78 23.997 -18.201 -6.946 1.00 0.00 H ATOM 2677 H SER C 78 23.035 -19.794 -2.826 1.00 0.00 H ATOM 2678 N TRP C 79 21.554 -15.982 -4.465 1.00 33.74 N ATOM 2679 CA TRP C 79 20.341 -15.288 -4.910 1.00 33.36 C ATOM 2680 C TRP C 79 20.025 -15.519 -6.380 1.00 33.32 C ATOM 2681 O TRP C 79 18.961 -15.116 -6.854 1.00 33.07 O ATOM 2682 CB TRP C 79 20.462 -13.791 -4.642 1.00 31.81 C ATOM 2683 CG TRP C 79 20.531 -13.447 -3.201 1.00 32.56 C ATOM 2684 CD1 TRP C 79 19.726 -13.929 -2.220 1.00 34.42 C ATOM 2685 CD2 TRP C 79 21.427 -12.526 -2.578 1.00 31.42 C ATOM 2686 NE1 TRP C 79 20.074 -13.387 -1.030 1.00 34.77 N ATOM 2687 CE2 TRP C 79 21.100 -12.506 -1.204 1.00 33.15 C ATOM 2688 CE3 TRP C 79 22.460 -11.704 -3.047 1.00 29.93 C ATOM 2689 CZ2 TRP C 79 21.781 -11.725 -0.281 1.00 33.01 C ATOM 2690 CZ3 TRP C 79 23.135 -10.915 -2.140 1.00 29.60 C ATOM 2691 CH2 TRP C 79 22.802 -10.931 -0.752 1.00 31.06 C ATOM 2692 HE1 TRP C 79 19.626 -13.609 -0.118 1.00 0.00 H ATOM 2693 H TRP C 79 22.420 -15.431 -4.296 1.00 0.00 H ATOM 2694 N PHE C 80 20.946 -16.138 -7.121 1.00 32.87 N ATOM 2695 CA PHE C 80 20.778 -16.347 -8.557 1.00 32.42 C ATOM 2696 C PHE C 80 20.914 -17.842 -8.795 1.00 34.30 C ATOM 2697 O PHE C 80 21.990 -18.399 -8.655 1.00 33.61 O ATOM 2698 CB PHE C 80 21.802 -15.514 -9.332 1.00 30.50 C ATOM 2699 CG PHE C 80 21.704 -14.039 -9.038 1.00 29.58 C ATOM 2700 CD1 PHE C 80 20.749 -13.254 -9.690 1.00 29.25 C ATOM 2701 CD2 PHE C 80 22.520 -13.438 -8.056 1.00 29.15 C ATOM 2702 CE1 PHE C 80 20.610 -11.920 -9.373 1.00 28.70 C ATOM 2703 CE2 PHE C 80 22.371 -12.111 -7.743 1.00 28.37 C ATOM 2704 CZ PHE C 80 21.431 -11.349 -8.413 1.00 28.47 C ATOM 2705 H PHE C 80 21.812 -16.483 -6.661 1.00 0.00 H ATOM 2706 N LYS C 81 19.811 -18.489 -9.127 1.00 36.13 N ATOM 2707 CA LYS C 81 19.781 -19.952 -9.145 1.00 38.77 C ATOM 2708 C LYS C 81 20.734 -20.482 -10.206 1.00 38.09 C ATOM 2709 O LYS C 81 20.743 -20.005 -11.331 1.00 36.85 O ATOM 2710 CB LYS C 81 18.368 -20.473 -9.365 1.00 41.32 C ATOM 2711 CG LYS C 81 17.382 -20.014 -8.289 1.00 43.63 C ATOM 2712 CD LYS C 81 17.693 -20.528 -6.877 1.00 46.10 C ATOM 2713 CE LYS C 81 17.820 -19.395 -5.850 1.00 46.42 C ATOM 2714 NZ LYS C 81 16.638 -18.476 -5.797 1.00 47.12 N ATOM 2715 HZ1 LYS C 81 16.505 -18.031 -6.727 1.00 0.00 H ATOM 2716 HZ2 LYS C 81 15.788 -19.021 -5.547 1.00 0.00 H ATOM 2717 HZ3 LYS C 81 16.804 -17.741 -5.080 1.00 0.00 H ATOM 2718 H LYS C 81 18.956 -17.953 -9.378 1.00 0.00 H ATOM 2719 N GLY C 82 21.576 -21.436 -9.818 1.00 39.59 N ATOM 2720 CA GLY C 82 22.554 -22.022 -10.721 1.00 39.30 C ATOM 2721 C GLY C 82 23.884 -21.290 -10.821 1.00 38.22 C ATOM 2722 O GLY C 82 24.749 -21.697 -11.588 1.00 38.56 O ATOM 2723 H GLY C 82 21.533 -21.774 -8.835 1.00 0.00 H ATOM 2724 N TYR C 83 24.051 -20.230 -10.033 1.00 37.19 N ATOM 2725 CA TYR C 83 25.317 -19.496 -9.973 1.00 35.91 C ATOM 2726 C TYR C 83 25.979 -19.662 -8.611 1.00 35.89 C ATOM 2727 O TYR C 83 25.297 -19.690 -7.578 1.00 36.58 O ATOM 2728 CB TYR C 83 25.085 -18.016 -10.209 1.00 35.19 C ATOM 2729 CG TYR C 83 24.669 -17.711 -11.618 1.00 35.64 C ATOM 2730 CD1 TYR C 83 23.357 -17.884 -12.055 1.00 36.94 C ATOM 2731 CD2 TYR C 83 25.594 -17.201 -12.516 1.00 34.87 C ATOM 2732 CE1 TYR C 83 22.995 -17.604 -13.343 1.00 37.62 C ATOM 2733 CE2 TYR C 83 25.237 -16.872 -13.818 1.00 35.49 C ATOM 2734 CZ TYR C 83 23.928 -17.068 -14.221 1.00 36.32 C ATOM 2735 OH TYR C 83 23.505 -16.769 -15.502 1.00 38.49 O ATOM 2736 HH TYR C 83 24.021 -17.308 -16.153 1.00 0.00 H ATOM 2737 H TYR C 83 23.257 -19.913 -9.441 1.00 0.00 H ATOM 2738 N ASP C 84 27.301 -19.804 -8.651 1.00 34.85 N ATOM 2739 CA ASP C 84 28.134 -19.818 -7.473 1.00 34.88 C ATOM 2740 C ASP C 84 28.726 -18.410 -7.376 1.00 32.11 C ATOM 2741 O ASP C 84 28.930 -17.707 -8.393 1.00 29.69 O ATOM 2742 CB ASP C 84 29.258 -20.812 -7.623 1.00 36.46 C ATOM 2743 CG ASP C 84 28.884 -22.216 -7.207 1.00 39.69 C ATOM 2744 OD1 ASP C 84 27.692 -22.616 -7.234 1.00 40.71 O ATOM 2745 OD2 ASP C 84 29.857 -22.935 -6.875 1.00 41.96 O ATOM 2746 H ASP C 84 27.758 -19.910 -9.579 1.00 0.00 H ATOM 2747 N TRP C 85 29.021 -18.021 -6.142 1.00 31.29 N ATOM 2748 CA TRP C 85 29.575 -16.696 -5.875 1.00 29.18 C ATOM 2749 C TRP C 85 30.927 -16.761 -5.206 1.00 28.99 C ATOM 2750 O TRP C 85 31.255 -17.716 -4.525 1.00 29.72 O ATOM 2751 CB TRP C 85 28.617 -15.885 -5.010 1.00 29.14 C ATOM 2752 CG TRP C 85 28.194 -16.552 -3.739 1.00 30.75 C ATOM 2753 CD1 TRP C 85 27.031 -17.277 -3.544 1.00 32.14 C ATOM 2754 CD2 TRP C 85 28.889 -16.566 -2.492 1.00 31.47 C ATOM 2755 NE1 TRP C 85 26.972 -17.733 -2.258 1.00 33.91 N ATOM 2756 CE2 TRP C 85 28.085 -17.313 -1.584 1.00 33.65 C ATOM 2757 CE3 TRP C 85 30.107 -16.044 -2.048 1.00 31.00 C ATOM 2758 CZ2 TRP C 85 28.456 -17.513 -0.256 1.00 35.25 C ATOM 2759 CZ3 TRP C 85 30.473 -16.276 -0.725 1.00 32.53 C ATOM 2760 CH2 TRP C 85 29.658 -17.005 0.148 1.00 34.51 C ATOM 2761 HE1 TRP C 85 26.204 -18.307 -1.856 1.00 0.00 H ATOM 2762 H TRP C 85 28.854 -18.673 -5.349 1.00 0.00 H ATOM 2763 N THR C 86 31.682 -15.682 -5.395 1.00 27.40 N ATOM 2764 CA THR C 86 32.940 -15.430 -4.707 1.00 27.60 C ATOM 2765 C THR C 86 32.907 -14.006 -4.186 1.00 26.26 C ATOM 2766 O THR C 86 32.380 -13.121 -4.854 1.00 24.63 O ATOM 2767 CB THR C 86 34.073 -15.556 -5.763 1.00 27.55 C ATOM 2768 OG1 THR C 86 34.052 -16.900 -6.306 1.00 28.92 O ATOM 2769 CG2 THR C 86 35.518 -15.077 -5.310 1.00 27.58 C ATOM 2770 HG1 THR C 86 33.174 -17.069 -6.731 1.00 0.00 H ATOM 2771 H THR C 86 31.352 -14.972 -6.079 1.00 0.00 H ATOM 2772 N ILE C 87 33.421 -13.794 -3.002 1.00 26.48 N ATOM 2773 CA ILE C 87 33.404 -12.476 -2.374 1.00 26.31 C ATOM 2774 C ILE C 87 34.227 -11.475 -3.189 1.00 24.57 C ATOM 2775 O ILE C 87 35.339 -11.799 -3.632 1.00 24.95 O ATOM 2776 CB ILE C 87 33.936 -12.574 -0.923 1.00 27.95 C ATOM 2777 CG1 ILE C 87 32.914 -13.315 -0.083 1.00 29.99 C ATOM 2778 CG2 ILE C 87 34.221 -11.211 -0.298 1.00 27.23 C ATOM 2779 CD1 ILE C 87 33.478 -13.954 1.166 1.00 32.16 C ATOM 2780 H ILE C 87 33.855 -14.589 -2.492 1.00 0.00 H ATOM 2781 N ALA C 88 33.669 -10.275 -3.358 1.00 22.98 N ATOM 2782 CA ALA C 88 34.337 -9.176 -4.073 1.00 21.73 C ATOM 2783 C ALA C 88 34.595 -8.054 -3.077 1.00 21.74 C ATOM 2784 O ALA C 88 33.631 -7.475 -2.535 1.00 21.77 O ATOM 2785 CB ALA C 88 33.486 -8.694 -5.235 1.00 21.33 C ATOM 2786 H ALA C 88 32.720 -10.109 -2.967 1.00 0.00 H ATOM 2787 N LEU C 89 35.882 -7.785 -2.823 1.00 21.64 N ATOM 2788 CA LEU C 89 36.279 -6.687 -1.966 1.00 21.54 C ATOM 2789 C LEU C 89 36.746 -5.537 -2.823 1.00 20.25 C ATOM 2790 O LEU C 89 37.247 -5.739 -3.943 1.00 20.21 O ATOM 2791 CB LEU C 89 37.424 -7.078 -1.052 1.00 22.70 C ATOM 2792 CG LEU C 89 37.228 -8.331 -0.220 1.00 24.65 C ATOM 2793 CD1 LEU C 89 38.497 -8.550 0.605 1.00 25.76 C ATOM 2794 CD2 LEU C 89 35.980 -8.234 0.649 1.00 25.13 C ATOM 2795 H LEU C 89 36.617 -8.381 -3.253 1.00 0.00 H ATOM 2796 N CYS C 90 36.612 -4.345 -2.279 1.00 19.83 N ATOM 2797 CA CYS C 90 37.269 -3.202 -2.894 1.00 18.88 C ATOM 2798 C CYS C 90 38.772 -3.467 -2.895 1.00 19.20 C ATOM 2799 O CYS C 90 39.361 -3.739 -1.851 1.00 19.72 O ATOM 2800 CB CYS C 90 36.936 -1.938 -2.107 1.00 18.92 C ATOM 2801 SG CYS C 90 37.739 -0.452 -2.722 1.00 18.62 S ATOM 2802 H CYS C 90 36.042 -4.222 -1.418 1.00 0.00 H ATOM 2803 N GLY C 91 39.395 -3.345 -4.070 1.00 18.98 N ATOM 2804 CA GLY C 91 40.830 -3.495 -4.168 1.00 19.73 C ATOM 2805 C GLY C 91 41.648 -2.399 -3.492 1.00 19.65 C ATOM 2806 O GLY C 91 42.830 -2.592 -3.232 1.00 20.99 O ATOM 2807 H GLY C 91 38.841 -3.139 -4.926 1.00 0.00 H ATOM 2808 N GLN C 92 41.034 -1.266 -3.240 1.00 18.26 N ATOM 2809 CA GLN C 92 41.733 -0.110 -2.658 1.00 18.71 C ATOM 2810 C GLN C 92 41.654 -0.135 -1.145 1.00 19.50 C ATOM 2811 O GLN C 92 42.690 -0.031 -0.474 1.00 20.24 O ATOM 2812 CB GLN C 92 41.179 1.184 -3.247 1.00 18.44 C ATOM 2813 CG GLN C 92 41.885 2.456 -2.799 1.00 18.42 C ATOM 2814 CD GLN C 92 41.649 3.612 -3.748 1.00 18.05 C ATOM 2815 OE1 GLN C 92 42.415 3.826 -4.668 1.00 18.64 O ATOM 2816 NE2 GLN C 92 40.573 4.350 -3.545 1.00 18.12 N ATOM 2817 HE22 GLN C 92 39.940 4.138 -2.748 1.00 0.00 H ATOM 2818 HE21 GLN C 92 40.359 5.143 -4.182 1.00 0.00 H ATOM 2819 H GLN C 92 40.021 -1.183 -3.459 1.00 0.00 H ATOM 2820 N CYS C 93 40.469 -0.337 -0.581 1.00 19.48 N ATOM 2821 CA CYS C 93 40.316 -0.276 0.894 1.00 20.70 C ATOM 2822 C CYS C 93 39.901 -1.569 1.582 1.00 21.49 C ATOM 2823 O CYS C 93 39.902 -1.621 2.826 1.00 22.47 O ATOM 2824 CB CYS C 93 39.335 0.825 1.289 1.00 20.54 C ATOM 2825 SG CYS C 93 37.593 0.409 1.028 1.00 21.11 S ATOM 2826 H CYS C 93 39.642 -0.540 -1.178 1.00 0.00 H ATOM 2827 N GLY C 94 39.526 -2.591 0.823 1.00 21.72 N ATOM 2828 CA GLY C 94 39.127 -3.871 1.430 1.00 23.09 C ATOM 2829 C GLY C 94 37.643 -4.012 1.795 1.00 23.35 C ATOM 2830 O GLY C 94 37.231 -5.077 2.251 1.00 24.61 O ATOM 2831 H GLY C 94 39.514 -2.486 -0.212 1.00 0.00 H ATOM 2832 N SER C 95 36.857 -2.966 1.620 1.00 22.81 N ATOM 2833 CA SER C 95 35.412 -3.008 1.916 1.00 23.43 C ATOM 2834 C SER C 95 34.736 -4.119 1.102 1.00 23.33 C ATOM 2835 O SER C 95 35.035 -4.332 -0.066 1.00 22.61 O ATOM 2836 CB SER C 95 34.747 -1.671 1.570 1.00 23.41 C ATOM 2837 OG SER C 95 33.334 -1.661 1.792 1.00 25.16 O ATOM 2838 HG SER C 95 32.969 -0.773 1.550 1.00 0.00 H ATOM 2839 H SER C 95 37.270 -2.082 1.261 1.00 0.00 H ATOM 2840 N HIS C 96 33.845 -4.864 1.743 1.00 24.23 N ATOM 2841 CA HIS C 96 33.109 -5.900 1.037 1.00 24.50 C ATOM 2842 C HIS C 96 32.000 -5.267 0.205 1.00 24.01 C ATOM 2843 O HIS C 96 31.009 -4.793 0.749 1.00 24.70 O ATOM 2844 CB HIS C 96 32.543 -6.922 2.019 1.00 26.32 C ATOM 2845 CG HIS C 96 31.693 -7.957 1.357 1.00 26.82 C ATOM 2846 ND1 HIS C 96 30.632 -8.566 1.991 1.00 28.90 N ATOM 2847 CD2 HIS C 96 31.714 -8.446 0.098 1.00 26.33 C ATOM 2848 CE1 HIS C 96 30.047 -9.404 1.153 1.00 28.64 C ATOM 2849 NE2 HIS C 96 30.682 -9.341 -0.005 1.00 27.24 N ATOM 2850 H HIS C 96 33.672 -4.706 2.756 1.00 0.00 H ATOM 2851 N LEU C 97 32.171 -5.251 -1.120 1.00 22.65 N ATOM 2852 CA LEU C 97 31.228 -4.556 -1.995 1.00 22.49 C ATOM 2853 C LEU C 97 30.184 -5.457 -2.643 1.00 22.55 C ATOM 2854 O LEU C 97 29.159 -4.964 -3.140 1.00 23.36 O ATOM 2855 CB LEU C 97 31.965 -3.796 -3.099 1.00 21.61 C ATOM 2856 CG LEU C 97 32.957 -2.737 -2.633 1.00 21.73 C ATOM 2857 CD1 LEU C 97 33.518 -2.062 -3.871 1.00 20.87 C ATOM 2858 CD2 LEU C 97 32.298 -1.748 -1.641 1.00 21.93 C ATOM 2859 H LEU C 97 32.989 -5.741 -1.536 1.00 0.00 H ATOM 2860 N GLY C 98 30.449 -6.752 -2.673 1.00 22.57 N ATOM 2861 CA GLY C 98 29.519 -7.682 -3.254 1.00 22.96 C ATOM 2862 C GLY C 98 30.144 -9.003 -3.601 1.00 23.02 C ATOM 2863 O GLY C 98 30.960 -9.537 -2.839 1.00 22.66 O ATOM 2864 H GLY C 98 31.342 -7.103 -2.271 1.00 0.00 H ATOM 2865 N TRP C 99 29.742 -9.555 -4.737 1.00 23.03 N ATOM 2866 CA TRP C 99 30.160 -10.896 -5.152 1.00 24.49 C ATOM 2867 C TRP C 99 30.322 -10.965 -6.650 1.00 24.46 C ATOM 2868 O TRP C 99 29.673 -10.236 -7.385 1.00 24.20 O ATOM 2869 CB TRP C 99 29.091 -11.944 -4.747 1.00 25.81 C ATOM 2870 CG TRP C 99 28.831 -11.957 -3.262 1.00 27.16 C ATOM 2871 CD1 TRP C 99 29.461 -12.723 -2.316 1.00 28.26 C ATOM 2872 CD2 TRP C 99 27.924 -11.115 -2.550 1.00 27.38 C ATOM 2873 NE1 TRP C 99 28.974 -12.427 -1.073 1.00 29.29 N ATOM 2874 CE2 TRP C 99 28.031 -11.444 -1.188 1.00 28.54 C ATOM 2875 CE3 TRP C 99 27.025 -10.120 -2.928 1.00 26.84 C ATOM 2876 CZ2 TRP C 99 27.256 -10.823 -0.201 1.00 29.54 C ATOM 2877 CZ3 TRP C 99 26.278 -9.488 -1.949 1.00 27.51 C ATOM 2878 CH2 TRP C 99 26.373 -9.868 -0.603 1.00 28.91 C ATOM 2879 HE1 TRP C 99 29.273 -12.877 -0.184 1.00 0.00 H ATOM 2880 H TRP C 99 29.105 -9.015 -5.357 1.00 0.00 H ATOM 2881 N HIS C 100 31.172 -11.874 -7.083 1.00 25.61 N ATOM 2882 CA HIS C 100 31.231 -12.254 -8.480 1.00 26.14 C ATOM 2883 C HIS C 100 30.524 -13.584 -8.633 1.00 27.09 C ATOM 2884 O HIS C 100 30.749 -14.484 -7.837 1.00 27.77 O ATOM 2885 CB HIS C 100 32.680 -12.362 -8.937 1.00 27.03 C ATOM 2886 CG HIS C 100 32.820 -12.646 -10.388 1.00 28.03 C ATOM 2887 ND1 HIS C 100 33.447 -13.772 -10.869 1.00 30.47 N ATOM 2888 CD2 HIS C 100 32.429 -11.937 -11.469 1.00 28.34 C ATOM 2889 CE1 HIS C 100 33.418 -13.753 -12.192 1.00 30.47 C ATOM 2890 NE2 HIS C 100 32.824 -12.639 -12.581 1.00 29.35 N ATOM 2891 H HIS C 100 31.816 -12.330 -6.406 1.00 0.00 H ATOM 2892 N TYR C 101 29.706 -13.680 -9.664 1.00 26.70 N ATOM 2893 CA TYR C 101 28.875 -14.850 -9.924 1.00 28.83 C ATOM 2894 C TYR C 101 29.356 -15.548 -11.182 1.00 31.03 C ATOM 2895 O TYR C 101 29.798 -14.873 -12.160 1.00 29.87 O ATOM 2896 CB TYR C 101 27.419 -14.461 -10.104 1.00 27.75 C ATOM 2897 CG TYR C 101 26.799 -14.067 -8.795 1.00 27.15 C ATOM 2898 CD1 TYR C 101 26.232 -15.019 -7.958 1.00 28.40 C ATOM 2899 CD2 TYR C 101 26.832 -12.755 -8.373 1.00 25.36 C ATOM 2900 CE1 TYR C 101 25.673 -14.650 -6.739 1.00 28.12 C ATOM 2901 CE2 TYR C 101 26.241 -12.365 -7.179 1.00 25.78 C ATOM 2902 CZ TYR C 101 25.679 -13.316 -6.354 1.00 27.09 C ATOM 2903 OH TYR C 101 25.130 -12.908 -5.159 1.00 27.17 O ATOM 2904 HH TYR C 101 24.768 -13.694 -4.678 1.00 0.00 H ATOM 2905 H TYR C 101 29.651 -12.880 -10.326 1.00 0.00 H ATOM 2906 N GLU C 102 29.295 -16.883 -11.119 1.00 35.24 N ATOM 2907 CA GLU C 102 29.549 -17.676 -12.325 1.00 39.97 C ATOM 2908 C GLU C 102 28.583 -18.865 -12.310 1.00 42.52 C ATOM 2909 O GLU C 102 28.425 -19.469 -11.245 1.00 41.75 O ATOM 2910 CB GLU C 102 31.033 -18.111 -12.439 1.00 42.90 C ATOM 2911 CG GLU C 102 32.147 -17.179 -11.962 1.00 45.20 C ATOM 2912 CD GLU C 102 33.382 -17.940 -11.511 1.00 49.24 C ATOM 2913 OE1 GLU C 102 33.329 -18.685 -10.488 1.00 52.99 O ATOM 2914 OE2 GLU C 102 34.425 -17.785 -12.179 1.00 52.56 O ATOM 2915 H GLU C 102 29.069 -17.355 -10.220 1.00 0.00 H ATOM 2916 N GLY C 103 27.903 -19.184 -13.415 1.00 45.30 N ATOM 2917 CA GLY C 103 26.901 -20.238 -13.435 1.00 49.30 C ATOM 2918 C GLY C 103 26.651 -20.693 -14.867 1.00 52.77 C ATOM 2919 O GLY C 103 27.490 -20.419 -15.739 1.00 53.64 O ATOM 2920 H GLY C 103 28.097 -18.660 -14.292 1.00 0.00 H ATOM 2921 N GLY C 104 25.521 -21.333 -15.120 1.00 56.79 N ATOM 2922 CA GLY C 104 25.343 -22.044 -16.382 1.00 59.04 C ATOM 2923 C GLY C 104 24.464 -21.405 -17.426 1.00 59.67 C ATOM 2924 O GLY C 104 23.882 -22.157 -18.230 1.00 62.93 O ATOM 2925 H GLY C 104 24.756 -21.329 -14.416 1.00 0.00 H ATOM 2926 N SER C 105 24.374 -20.062 -17.473 1.00 57.93 N ATOM 2927 CA SER C 105 23.454 -19.422 -18.381 1.00 57.24 C ATOM 2928 C SER C 105 24.055 -18.200 -19.084 1.00 54.69 C ATOM 2929 O SER C 105 25.264 -18.093 -19.235 1.00 55.29 O ATOM 2930 CB SER C 105 22.131 -19.057 -17.685 1.00 58.51 C ATOM 2931 OG SER C 105 21.139 -18.855 -18.675 1.00 59.35 O ATOM 2932 HG SER C 105 20.282 -18.619 -18.239 1.00 0.00 H ATOM 2933 H SER C 105 24.972 -19.482 -16.850 1.00 0.00 H ATOM 2934 N GLN C 106 23.170 -17.483 -19.734 1.00 52.57 N ATOM 2935 CA GLN C 106 23.438 -16.224 -20.353 1.00 50.67 C ATOM 2936 C GLN C 106 22.856 -15.365 -19.258 1.00 49.79 C ATOM 2937 O GLN C 106 21.655 -15.387 -19.091 1.00 49.73 O ATOM 2938 CB GLN C 106 22.622 -16.100 -21.651 1.00 51.53 C ATOM 2939 H GLN C 106 22.203 -17.858 -19.804 1.00 0.00 H ATOM 2940 N PRO C 107 23.653 -14.627 -18.493 1.00 48.37 N ATOM 2941 CA PRO C 107 25.110 -14.447 -18.729 1.00 47.08 C ATOM 2942 C PRO C 107 25.912 -15.425 -17.900 1.00 46.99 C ATOM 2943 O PRO C 107 25.432 -15.879 -16.858 1.00 48.50 O ATOM 2944 CB PRO C 107 25.360 -13.020 -18.280 1.00 46.14 C ATOM 2945 CG PRO C 107 24.359 -12.824 -17.192 1.00 46.88 C ATOM 2946 CD PRO C 107 23.132 -13.636 -17.531 1.00 47.90 C ATOM 2947 N GLN C 108 27.073 -15.839 -18.390 1.00 44.34 N ATOM 2948 CA GLN C 108 27.819 -16.880 -17.688 1.00 44.33 C ATOM 2949 C GLN C 108 28.417 -16.351 -16.395 1.00 41.15 C ATOM 2950 O GLN C 108 28.546 -17.083 -15.427 1.00 41.86 O ATOM 2951 CB GLN C 108 28.911 -17.480 -18.560 1.00 46.65 C ATOM 2952 CG GLN C 108 28.396 -18.368 -19.679 1.00 49.43 C ATOM 2953 CD GLN C 108 29.469 -19.324 -20.183 1.00 51.00 C ATOM 2954 OE1 GLN C 108 30.644 -18.973 -20.280 1.00 53.66 O ATOM 2955 NE2 GLN C 108 29.068 -20.546 -20.474 1.00 54.57 N ATOM 2956 HE22 GLN C 108 28.064 -20.801 -20.378 1.00 0.00 H ATOM 2957 HE21 GLN C 108 29.755 -21.255 -20.800 1.00 0.00 H ATOM 2958 H GLN C 108 27.449 -15.426 -19.267 1.00 0.00 H ATOM 2959 N THR C 109 28.796 -15.077 -16.418 1.00 36.85 N ATOM 2960 CA THR C 109 29.389 -14.409 -15.248 1.00 34.47 C ATOM 2961 C THR C 109 28.872 -12.984 -15.142 1.00 31.91 C ATOM 2962 O THR C 109 28.520 -12.332 -16.144 1.00 31.25 O ATOM 2963 CB THR C 109 30.919 -14.323 -15.329 1.00 35.61 C ATOM 2964 OG1 THR C 109 31.296 -13.471 -16.430 1.00 34.78 O ATOM 2965 CG2 THR C 109 31.521 -15.709 -15.522 1.00 37.02 C ATOM 2966 HG1 THR C 109 30.921 -12.566 -16.288 1.00 0.00 H ATOM 2967 H THR C 109 28.669 -14.532 -17.295 1.00 0.00 H ATOM 2968 N PHE C 110 28.812 -12.510 -13.907 1.00 28.82 N ATOM 2969 CA PHE C 110 28.467 -11.114 -13.653 1.00 26.08 C ATOM 2970 C PHE C 110 28.873 -10.782 -12.221 1.00 24.99 C ATOM 2971 O PHE C 110 29.274 -11.658 -11.458 1.00 25.06 O ATOM 2972 CB PHE C 110 26.970 -10.820 -13.904 1.00 25.73 C ATOM 2973 CG PHE C 110 26.042 -11.519 -12.946 1.00 26.96 C ATOM 2974 CD1 PHE C 110 25.650 -12.853 -13.159 1.00 27.80 C ATOM 2975 CD2 PHE C 110 25.565 -10.849 -11.837 1.00 26.84 C ATOM 2976 CE1 PHE C 110 24.808 -13.492 -12.271 1.00 28.67 C ATOM 2977 CE2 PHE C 110 24.686 -11.481 -10.986 1.00 27.17 C ATOM 2978 CZ PHE C 110 24.323 -12.807 -11.187 1.00 28.49 C ATOM 2979 H PHE C 110 29.014 -13.142 -13.106 1.00 0.00 H ATOM 2980 N PHE C 111 28.753 -9.515 -11.876 1.00 23.38 N ATOM 2981 CA PHE C 111 29.049 -9.014 -10.527 1.00 23.39 C ATOM 2982 C PHE C 111 27.761 -8.503 -9.913 1.00 23.97 C ATOM 2983 O PHE C 111 27.001 -7.823 -10.582 1.00 25.13 O ATOM 2984 CB PHE C 111 30.030 -7.862 -10.563 1.00 22.74 C ATOM 2985 CG PHE C 111 31.370 -8.219 -11.126 1.00 22.83 C ATOM 2986 CD1 PHE C 111 31.600 -8.230 -12.521 1.00 22.04 C ATOM 2987 CD2 PHE C 111 32.410 -8.525 -10.267 1.00 22.95 C ATOM 2988 CE1 PHE C 111 32.837 -8.596 -12.993 1.00 22.59 C ATOM 2989 CE2 PHE C 111 33.659 -8.858 -10.760 1.00 23.48 C ATOM 2990 CZ PHE C 111 33.864 -8.908 -12.119 1.00 22.94 C ATOM 2991 H PHE C 111 28.433 -8.836 -12.595 1.00 0.00 H ATOM 2992 N GLY C 112 27.478 -8.932 -8.688 1.00 23.61 N ATOM 2993 CA GLY C 112 26.314 -8.495 -7.926 1.00 24.05 C ATOM 2994 C GLY C 112 26.813 -7.658 -6.769 1.00 23.82 C ATOM 2995 O GLY C 112 27.461 -8.173 -5.856 1.00 24.44 O ATOM 2996 H GLY C 112 28.123 -9.618 -8.247 1.00 0.00 H ATOM 2997 N LEU C 113 26.593 -6.354 -6.840 1.00 23.35 N ATOM 2998 CA LEU C 113 27.197 -5.421 -5.890 1.00 24.06 C ATOM 2999 C LEU C 113 26.124 -4.811 -5.020 1.00 24.62 C ATOM 3000 O LEU C 113 25.019 -4.507 -5.502 1.00 24.41 O ATOM 3001 CB LEU C 113 27.968 -4.317 -6.631 1.00 23.80 C ATOM 3002 CG LEU C 113 29.043 -4.809 -7.577 1.00 24.33 C ATOM 3003 CD1 LEU C 113 29.690 -3.643 -8.283 1.00 24.50 C ATOM 3004 CD2 LEU C 113 30.028 -5.666 -6.821 1.00 24.62 C ATOM 3005 H LEU C 113 25.975 -5.984 -7.590 1.00 0.00 H ATOM 3006 N ILE C 114 26.501 -4.567 -3.766 1.00 25.10 N ATOM 3007 CA ILE C 114 25.547 -4.083 -2.766 1.00 26.48 C ATOM 3008 C ILE C 114 25.373 -2.583 -2.926 1.00 26.62 C ATOM 3009 O ILE C 114 26.283 -1.819 -2.702 1.00 24.48 O ATOM 3010 CB ILE C 114 26.044 -4.394 -1.335 1.00 27.35 C ATOM 3011 CG1 ILE C 114 26.332 -5.863 -1.126 1.00 28.49 C ATOM 3012 CG2 ILE C 114 25.027 -3.919 -0.308 1.00 28.66 C ATOM 3013 CD1 ILE C 114 27.334 -6.114 0.015 1.00 29.35 C ATOM 3014 H ILE C 114 27.492 -4.723 -3.492 1.00 0.00 H ATOM 3015 N LYS C 115 24.165 -2.160 -3.281 1.00 28.65 N ATOM 3016 CA LYS C 115 23.831 -0.733 -3.406 1.00 29.81 C ATOM 3017 C LYS C 115 24.307 0.152 -2.259 1.00 30.83 C ATOM 3018 O LYS C 115 24.909 1.203 -2.515 1.00 30.58 O ATOM 3019 CB LYS C 115 22.322 -0.554 -3.612 1.00 32.32 C ATOM 3020 CG LYS C 115 21.883 0.907 -3.741 1.00 33.87 C ATOM 3021 CD LYS C 115 20.438 1.098 -4.119 1.00 35.82 C ATOM 3022 CE LYS C 115 20.212 2.527 -4.609 1.00 36.89 C ATOM 3023 NZ LYS C 115 18.765 2.849 -4.775 1.00 38.42 N ATOM 3024 HZ1 LYS C 115 18.344 2.200 -5.470 1.00 0.00 H ATOM 3025 HZ2 LYS C 115 18.280 2.742 -3.861 1.00 0.00 H ATOM 3026 HZ3 LYS C 115 18.665 3.829 -5.109 1.00 0.00 H ATOM 3027 H LYS C 115 23.427 -2.865 -3.478 1.00 0.00 H ATOM 3028 N ASP C 116 24.091 -0.270 -1.013 1.00 32.72 N ATOM 3029 CA ASP C 116 24.449 0.609 0.114 1.00 34.50 C ATOM 3030 C ASP C 116 25.956 0.622 0.432 1.00 32.90 C ATOM 3031 O ASP C 116 26.377 1.318 1.331 1.00 33.67 O ATOM 3032 CB ASP C 116 23.566 0.414 1.370 1.00 38.19 C ATOM 3033 CG ASP C 116 23.725 -0.932 2.038 1.00 41.01 C ATOM 3034 OD1 ASP C 116 24.817 -1.532 1.984 1.00 43.49 O ATOM 3035 OD2 ASP C 116 22.756 -1.369 2.699 1.00 47.20 O ATOM 3036 H ASP C 116 23.675 -1.207 -0.839 1.00 0.00 H ATOM 3037 N ARG C 117 26.750 -0.141 -0.306 1.00 30.64 N ATOM 3038 CA ARG C 117 28.202 -0.081 -0.184 1.00 29.47 C ATOM 3039 C ARG C 117 28.836 0.743 -1.285 1.00 27.52 C ATOM 3040 O ARG C 117 30.043 0.865 -1.297 1.00 25.02 O ATOM 3041 CB ARG C 117 28.761 -1.514 -0.157 1.00 30.51 C ATOM 3042 CG ARG C 117 28.151 -2.308 0.978 1.00 32.48 C ATOM 3043 CD ARG C 117 29.113 -2.642 2.089 1.00 33.80 C ATOM 3044 NE ARG C 117 28.330 -3.287 3.149 1.00 35.66 N ATOM 3045 CZ ARG C 117 28.453 -4.543 3.555 1.00 37.78 C ATOM 3046 NH1 ARG C 117 29.384 -5.332 3.055 1.00 36.89 N ATOM 3047 NH2 ARG C 117 27.655 -4.985 4.534 1.00 40.09 N ATOM 3048 HE ARG C 117 27.612 -2.705 3.626 1.00 0.00 H ATOM 3049 HH12 ARG C 117 29.465 -6.315 3.386 1.00 0.00 H ATOM 3050 HH11 ARG C 117 30.037 -4.972 2.330 1.00 0.00 H ATOM 3051 HH22 ARG C 117 27.735 -5.967 4.867 1.00 0.00 H ATOM 3052 HH21 ARG C 117 26.954 -4.347 4.962 1.00 0.00 H ATOM 3053 H ARG C 117 26.326 -0.800 -0.990 1.00 0.00 H ATOM 3054 N LEU C 118 28.018 1.294 -2.194 1.00 26.46 N ATOM 3055 CA LEU C 118 28.470 2.044 -3.336 1.00 26.57 C ATOM 3056 C LEU C 118 28.029 3.493 -3.248 1.00 26.30 C ATOM 3057 O LEU C 118 27.073 3.808 -2.569 1.00 27.00 O ATOM 3058 CB LEU C 118 27.911 1.429 -4.622 1.00 27.38 C ATOM 3059 CG LEU C 118 28.442 0.043 -4.971 1.00 28.69 C ATOM 3060 CD1 LEU C 118 27.759 -0.409 -6.247 1.00 29.51 C ATOM 3061 CD2 LEU C 118 29.953 -0.035 -5.115 1.00 28.57 C ATOM 3062 H LEU C 118 26.993 1.172 -2.066 1.00 0.00 H ATOM 3063 N ALA C 119 28.747 4.355 -3.945 1.00 25.05 N ATOM 3064 CA ALA C 119 28.308 5.717 -4.243 1.00 25.25 C ATOM 3065 C ALA C 119 28.091 5.825 -5.755 1.00 24.62 C ATOM 3066 O ALA C 119 28.951 5.392 -6.543 1.00 23.98 O ATOM 3067 CB ALA C 119 29.370 6.688 -3.810 1.00 25.29 C ATOM 3068 H ALA C 119 29.675 4.048 -4.301 1.00 0.00 H ATOM 3069 N GLU C 120 26.978 6.424 -6.152 1.00 25.06 N ATOM 3070 CA GLU C 120 26.693 6.622 -7.582 1.00 26.27 C ATOM 3071 C GLU C 120 26.906 8.085 -7.929 1.00 25.87 C ATOM 3072 O GLU C 120 26.593 8.982 -7.145 1.00 24.30 O ATOM 3073 CB GLU C 120 25.264 6.171 -7.932 1.00 28.64 C ATOM 3074 CG GLU C 120 24.164 6.901 -7.177 1.00 32.17 C ATOM 3075 CD GLU C 120 22.785 6.332 -7.410 1.00 34.46 C ATOM 3076 OE1 GLU C 120 21.838 6.916 -6.844 1.00 40.27 O ATOM 3077 OE2 GLU C 120 22.631 5.345 -8.164 1.00 35.56 O ATOM 3078 H GLU C 120 26.296 6.759 -5.442 1.00 0.00 H ATOM 3079 N GLY C 121 27.397 8.363 -9.133 1.00 24.93 N ATOM 3080 CA GLY C 121 27.624 9.754 -9.539 1.00 25.85 C ATOM 3081 C GLY C 121 27.769 9.873 -11.049 1.00 26.23 C ATOM 3082 O GLY C 121 27.700 8.894 -11.758 1.00 24.75 O ATOM 3083 H GLY C 121 27.621 7.589 -9.791 1.00 0.00 H ATOM 3084 N PRO C 122 27.948 11.094 -11.538 1.00 27.55 N ATOM 3085 CA PRO C 122 28.029 11.328 -12.974 1.00 29.26 C ATOM 3086 C PRO C 122 29.268 10.747 -13.656 1.00 29.88 C ATOM 3087 O PRO C 122 30.283 10.509 -12.999 1.00 30.62 O ATOM 3088 CB PRO C 122 28.034 12.853 -13.078 1.00 30.31 C ATOM 3089 CG PRO C 122 28.475 13.369 -11.745 1.00 30.00 C ATOM 3090 CD PRO C 122 28.044 12.332 -10.747 1.00 28.87 C ATOM 3091 N ALA C 123 29.198 10.568 -14.984 1.00 31.93 N ATOM 3092 CA ALA C 123 30.379 10.097 -15.746 1.00 33.03 C ATOM 3093 C ALA C 123 31.483 11.155 -15.760 1.00 34.29 C ATOM 3094 O ALA C 123 31.204 12.342 -15.556 1.00 36.32 O ATOM 3095 CB ALA C 123 29.999 9.716 -17.166 1.00 33.64 C ATOM 3096 H ALA C 123 28.307 10.762 -15.483 1.00 0.00 H TER 3097 ALA C 123 HETATM 3098 ZN ZN A 1 24.133 27.253 9.929 1.00 14.78 ZN HETATM 3099 ZN ZN A 2 43.441 10.912 30.002 1.00 19.18 ZN HETATM 3100 ZN ZN A 3 37.050 1.080 -1.094 1.00 19.94 ZN HETATM 3101 O HOH 4 14.763 27.258 11.582 1.00 25.96 O HETATM 3102 O HOH 5 13.845 24.183 -5.102 1.00 37.81 O HETATM 3103 O HOH 6 27.890 20.648 -4.004 1.00 38.15 O HETATM 3104 O HOH 7 10.127 22.975 -10.272 1.00 34.39 O HETATM 3105 O HOH 8 8.177 16.024 0.217 1.00 28.93 O HETATM 3106 O HOH 9 14.887 22.525 -6.925 1.00 33.16 O HETATM 3107 O HOH 10 30.556 16.955 4.609 1.00 29.13 O HETATM 3108 O HOH 11 31.728 16.344 8.037 1.00 24.95 O HETATM 3109 O HOH 12 8.434 11.689 5.194 1.00 20.87 O HETATM 3110 O HOH 13 28.307 27.873 1.682 1.00 44.32 O HETATM 3111 O HOH 14 21.125 26.166 -7.142 1.00 20.85 O HETATM 3112 O HOH 15 31.662 27.309 11.507 1.00 45.00 O HETATM 3113 O HOH 16 28.777 13.308 3.524 1.00 21.74 O HETATM 3114 O HOH 17 11.810 21.824 -11.915 1.00 28.54 O HETATM 3115 O HOH 18 13.703 19.178 24.474 1.00 39.53 O HETATM 3116 O HOH 19 9.330 9.744 8.398 1.00 36.92 O HETATM 3117 O HOH 20 15.057 18.772 -16.025 1.00 22.00 O HETATM 3118 O HOH 21 16.358 21.740 20.093 1.00 22.96 O HETATM 3119 O HOH 22 9.702 9.687 -8.424 1.00 43.32 O HETATM 3120 O HOH 23 20.920 6.141 -4.257 1.00 41.17 O HETATM 3121 O HOH 24 14.878 9.768 26.189 1.00 45.62 O HETATM 3122 O HOH 25 10.756 15.590 -14.269 1.00 20.27 O HETATM 3123 O HOH 26 15.935 30.411 -5.063 1.00 37.17 O HETATM 3124 O HOH 27 29.916 23.022 15.531 1.00 23.63 O HETATM 3125 O HOH 28 29.916 24.476 6.441 1.00 27.47 O HETATM 3126 O HOH 29 15.588 30.437 6.184 1.00 34.26 O HETATM 3127 O HOH 30 23.507 22.945 -13.244 1.00 28.37 O HETATM 3128 O HOH 31 21.190 9.118 13.694 1.00 40.16 O HETATM 3129 O HOH 32 29.501 21.239 8.530 1.00 30.78 O HETATM 3130 O HOH 33 23.803 6.149 8.580 1.00 62.55 O HETATM 3131 O HOH 34 30.653 15.040 2.227 1.00 37.61 O HETATM 3132 O HOH 35 32.057 17.295 2.600 1.00 30.77 O HETATM 3133 O HOH 36 20.320 24.820 -9.332 1.00 20.68 O HETATM 3134 O HOH 37 23.861 14.356 11.774 1.00 33.08 O HETATM 3135 O HOH 38 31.051 20.398 14.806 1.00 32.23 O HETATM 3136 O HOH 39 12.877 9.221 -8.788 1.00 36.86 O HETATM 3137 O HOH 40 32.348 20.896 10.520 1.00 39.16 O HETATM 3138 O HOH 41 3.924 15.452 -4.258 1.00 29.70 O HETATM 3139 O HOH 42 13.110 16.372 23.299 1.00 36.19 O HETATM 3140 O HOH 43 7.485 20.261 -8.547 1.00 25.77 O HETATM 3141 O HOH 44 28.334 32.897 8.354 1.00 31.06 O HETATM 3142 O HOH 45 31.813 23.888 13.931 1.00 35.41 O HETATM 3143 O HOH 46 11.611 8.590 10.756 1.00 35.75 O HETATM 3144 O HOH 47 9.667 19.112 -0.017 1.00 30.81 O HETATM 3145 O HOH 48 5.948 17.507 -2.643 1.00 27.34 O HETATM 3146 O HOH 49 25.862 21.542 -5.511 1.00 30.42 O HETATM 3147 O HOH 50 29.149 30.449 5.268 1.00 40.99 O HETATM 3148 O HOH 51 4.252 19.472 -3.975 1.00 40.80 O HETATM 3149 O HOH 52 30.504 24.201 0.975 1.00 58.34 O HETATM 3150 O HOH 53 16.590 7.993 -9.094 1.00 32.57 O HETATM 3151 O HOH 54 27.046 22.457 8.657 1.00 19.58 O HETATM 3152 O HOH 55 11.207 14.103 14.928 1.00 23.98 O HETATM 3153 O HOH 56 10.354 21.742 13.631 1.00 43.40 O HETATM 3154 O HOH 57 23.168 15.543 -16.488 1.00 38.47 O HETATM 3155 O HOH 58 16.170 12.959 -14.385 1.00 41.47 O HETATM 3156 O HOH 59 20.530 12.840 18.430 1.00 30.55 O HETATM 3157 O HOH 60 29.528 24.946 3.386 1.00 23.35 O HETATM 3158 O HOH 61 4.589 7.481 -1.944 1.00 47.84 O HETATM 3159 O HOH 62 15.386 4.132 5.243 1.00 48.79 O HETATM 3160 O HOH 63 28.394 11.092 6.541 1.00 32.23 O HETATM 3161 O HOH 64 10.445 25.628 14.311 1.00 44.18 O HETATM 3162 O HOH 65 22.610 3.220 2.817 1.00 54.23 O HETATM 3163 O HOH 66 6.479 18.089 1.993 1.00 34.63 O HETATM 3164 O HOH 67 14.417 16.249 -13.993 1.00 38.25 O HETATM 3165 O HOH 68 32.418 19.721 -4.178 1.00 35.88 O HETATM 3166 O HOH 69 13.813 7.290 12.643 1.00 50.78 O HETATM 3167 O HOH 70 17.009 15.425 -13.749 1.00 32.36 O HETATM 3168 O HOH 71 10.309 11.781 -10.196 1.00 23.06 O HETATM 3169 O HOH 72 22.638 4.974 -2.360 1.00 46.52 O HETATM 3170 O HOH 73 30.871 19.368 8.898 1.00 32.79 O HETATM 3171 O HOH 74 11.255 7.417 -5.020 1.00 41.29 O HETATM 3172 O HOH 75 2.758 17.752 -3.388 1.00 36.95 O HETATM 3173 O HOH 76 15.552 23.054 22.709 1.00 47.64 O HETATM 3174 O HOH 77 16.460 7.830 16.686 1.00 47.08 O HETATM 3175 O HOH 78 13.275 29.126 10.220 1.00 30.71 O HETATM 3176 O HOH 79 14.519 10.021 20.538 1.00 43.37 O HETATM 3177 O HOH 80 25.686 21.688 -12.138 1.00 41.72 O HETATM 3178 O HOH 81 5.949 10.001 -1.631 1.00 51.16 O HETATM 3179 O HOH 82 8.522 7.039 0.344 1.00 57.95 O HETATM 3180 O HOH 83 15.513 6.959 -5.171 1.00 46.79 O HETATM 3181 O HOH 84 5.691 21.189 -6.632 1.00 37.65 O HETATM 3182 O HOH 85 6.691 19.854 14.282 1.00 41.08 O HETATM 3183 O HOH 86 13.261 11.704 -16.030 1.00 48.22 O HETATM 3184 O HOH 87 29.166 28.519 9.008 1.00 33.18 O HETATM 3185 O HOH 88 12.876 6.812 6.555 1.00 43.79 O HETATM 3186 O HOH 89 30.483 28.440 4.190 1.00 49.16 O HETATM 3187 O HOH 90 23.502 27.572 -7.847 1.00 41.73 O HETATM 3188 O HOH 91 22.350 25.280 -11.304 1.00 42.69 O HETATM 3189 O HOH 92 6.613 9.761 4.147 1.00 40.85 O HETATM 3190 O HOH 93 30.520 26.950 7.567 1.00 41.09 O HETATM 3191 O HOH 94 28.510 26.822 -0.550 1.00 49.96 O HETATM 3192 O HOH 95 15.295 5.767 -9.661 1.00 57.96 O HETATM 3193 O HOH 96 32.193 18.774 17.054 1.00 34.09 O HETATM 3194 O HOH 97 31.389 -3.282 17.302 1.00 20.03 O HETATM 3195 O HOH 98 28.567 10.374 8.958 1.00 29.23 O HETATM 3196 O HOH 99 37.108 17.285 12.058 1.00 32.68 O HETATM 3197 O HOH 100 36.292 18.685 22.253 1.00 39.33 O HETATM 3198 O HOH 101 43.738 1.795 29.433 1.00 33.78 O HETATM 3199 O HOH 102 30.745 8.124 9.284 1.00 42.50 O HETATM 3200 O HOH 103 28.395 5.443 37.388 1.00 39.94 O HETATM 3201 O HOH 104 34.653 6.865 44.017 1.00 38.71 O HETATM 3202 O HOH 105 15.806 -0.393 26.156 1.00 39.89 O HETATM 3203 O HOH 106 27.218 2.909 32.745 1.00 39.45 O HETATM 3204 O HOH 107 26.815 15.204 29.675 1.00 29.88 O HETATM 3205 O HOH 108 15.846 9.435 23.200 1.00 38.96 O HETATM 3206 O HOH 109 45.954 -12.486 19.615 1.00 47.89 O HETATM 3207 O HOH 110 33.906 -2.902 14.453 1.00 32.91 O HETATM 3208 O HOH 111 23.738 10.037 33.982 1.00 18.66 O HETATM 3209 O HOH 112 26.320 10.809 34.357 1.00 19.16 O HETATM 3210 O HOH 113 45.360 12.751 16.540 1.00 36.09 O HETATM 3211 O HOH 114 39.180 2.738 34.325 1.00 20.94 O HETATM 3212 O HOH 115 21.400 0.627 15.567 1.00 45.83 O HETATM 3213 O HOH 116 47.469 -0.149 24.744 1.00 50.13 O HETATM 3214 O HOH 117 34.596 15.208 18.148 1.00 17.31 O HETATM 3215 O HOH 118 41.592 17.202 18.639 1.00 45.77 O HETATM 3216 O HOH 119 40.769 10.745 17.248 1.00 33.72 O HETATM 3217 O HOH 120 35.895 -5.575 14.215 1.00 43.59 O HETATM 3218 O HOH 121 28.797 -3.662 23.129 1.00 26.32 O HETATM 3219 O HOH 122 46.111 -3.257 11.565 1.00 49.15 O HETATM 3220 O HOH 123 25.276 9.923 11.497 1.00 24.58 O HETATM 3221 O HOH 124 48.551 8.979 17.651 1.00 45.91 O HETATM 3222 O HOH 125 26.821 -5.066 25.953 1.00 32.34 O HETATM 3223 O HOH 126 20.053 13.495 33.510 1.00 33.77 O HETATM 3224 O HOH 127 36.395 -1.249 12.517 1.00 32.94 O HETATM 3225 O HOH 128 32.107 4.145 38.079 1.00 34.58 O HETATM 3226 O HOH 129 47.635 -15.276 17.523 1.00 42.54 O HETATM 3227 O HOH 130 15.968 8.267 33.421 1.00 34.87 O HETATM 3228 O HOH 131 24.722 4.374 31.228 1.00 30.77 O HETATM 3229 O HOH 132 32.310 14.867 10.312 1.00 17.06 O HETATM 3230 O HOH 133 34.660 11.601 10.190 1.00 17.96 O HETATM 3231 O HOH 134 28.251 12.384 10.733 1.00 20.34 O HETATM 3232 O HOH 135 39.597 8.595 38.061 1.00 37.79 O HETATM 3233 O HOH 136 24.284 -7.125 24.404 1.00 36.65 O HETATM 3234 O HOH 137 50.011 14.445 29.160 1.00 42.92 O HETATM 3235 O HOH 138 28.276 17.159 28.451 1.00 58.75 O HETATM 3236 O HOH 139 41.679 -1.959 16.482 1.00 22.74 O HETATM 3237 O HOH 140 41.774 -4.290 12.255 1.00 51.67 O HETATM 3238 O HOH 141 16.971 10.344 34.598 1.00 49.52 O HETATM 3239 O HOH 142 20.903 10.563 17.525 1.00 44.44 O HETATM 3240 O HOH 143 41.228 14.346 25.789 1.00 19.69 O HETATM 3241 O HOH 144 37.686 -7.695 21.262 1.00 23.06 O HETATM 3242 O HOH 145 37.341 17.570 29.785 1.00 27.85 O HETATM 3243 O HOH 146 19.273 3.473 19.723 1.00 40.16 O HETATM 3244 O HOH 147 39.205 17.662 27.880 1.00 45.49 O HETATM 3245 O HOH 148 30.042 -1.225 26.646 1.00 20.01 O HETATM 3246 O HOH 149 42.611 11.993 37.451 1.00 50.01 O HETATM 3247 O HOH 150 16.751 22.744 25.254 1.00 25.49 O HETATM 3248 O HOH 151 22.454 -2.771 30.279 1.00 46.61 O HETATM 3249 O HOH 152 25.517 1.353 35.665 1.00 47.72 O HETATM 3250 O HOH 153 38.327 10.338 36.300 1.00 34.92 O HETATM 3251 O HOH 154 26.044 12.653 12.166 1.00 21.84 O HETATM 3252 O HOH 155 40.083 15.684 15.935 1.00 33.71 O HETATM 3253 O HOH 156 45.535 -7.609 13.355 1.00 47.64 O HETATM 3254 O HOH 157 26.733 21.416 28.127 1.00 42.38 O HETATM 3255 O HOH 158 29.941 3.808 9.990 1.00 33.12 O HETATM 3256 O HOH 159 17.080 0.292 21.538 1.00 50.19 O HETATM 3257 O HOH 160 23.616 12.073 14.846 1.00 32.88 O HETATM 3258 O HOH 161 28.890 23.652 20.450 1.00 27.25 O HETATM 3259 O HOH 162 32.984 17.252 19.301 1.00 18.32 O HETATM 3260 O HOH 163 47.308 7.383 19.847 1.00 26.61 O HETATM 3261 O HOH 164 51.501 5.311 18.993 1.00 53.62 O HETATM 3262 O HOH 165 26.676 -0.572 32.608 1.00 38.50 O HETATM 3263 O HOH 166 47.164 10.815 17.023 1.00 37.25 O HETATM 3264 O HOH 167 41.022 -8.994 15.566 1.00 43.85 O HETATM 3265 O HOH 168 13.928 1.506 21.825 1.00 46.50 O HETATM 3266 O HOH 169 35.505 6.948 9.807 1.00 36.90 O HETATM 3267 O HOH 170 35.481 20.949 19.611 1.00 49.09 O HETATM 3268 O HOH 171 31.851 20.499 22.478 1.00 49.18 O HETATM 3269 O HOH 172 47.322 -1.903 22.669 1.00 53.48 O HETATM 3270 O HOH 173 42.148 3.413 34.331 1.00 34.99 O HETATM 3271 O HOH 174 47.902 3.047 27.977 1.00 49.76 O HETATM 3272 O HOH 175 19.247 5.931 12.115 1.00 53.58 O HETATM 3273 O HOH 176 21.188 -4.300 16.003 1.00 52.72 O HETATM 3274 O HOH 177 43.673 1.127 31.708 1.00 42.07 O HETATM 3275 O HOH 178 46.798 15.890 32.507 1.00 47.55 O HETATM 3276 O HOH 179 24.959 -1.795 15.675 1.00 51.92 O HETATM 3277 O HOH 180 24.646 -1.172 10.638 1.00 54.08 O HETATM 3278 O HOH 181 23.507 7.871 11.890 1.00 48.74 O HETATM 3279 O HOH 182 17.433 16.784 32.294 1.00 47.95 O HETATM 3280 O HOH 183 21.350 6.089 15.998 1.00 40.59 O HETATM 3281 O HOH 184 19.805 15.621 31.910 1.00 44.36 O HETATM 3282 O HOH 185 12.558 3.203 23.644 1.00 43.79 O HETATM 3283 O HOH 186 20.105 4.297 17.317 1.00 51.45 O HETATM 3284 O HOH 187 31.583 1.282 11.771 1.00 37.32 O HETATM 3285 O HOH 188 22.505 12.322 34.773 1.00 28.63 O HETATM 3286 O HOH 189 25.017 15.941 31.974 1.00 51.90 O HETATM 3287 O HOH 190 41.505 16.900 24.425 1.00 33.55 O HETATM 3288 O HOH 191 29.797 -4.850 15.684 1.00 34.68 O HETATM 3289 O HOH 192 20.956 -5.164 -11.939 1.00 30.53 O HETATM 3290 O HOH 193 32.763 -18.209 -2.172 1.00 42.07 O HETATM 3291 O HOH 194 30.341 1.082 3.067 1.00 38.51 O HETATM 3292 O HOH 195 18.556 -19.603 -12.577 1.00 38.11 O HETATM 3293 O HOH 196 30.449 -12.187 4.111 1.00 60.20 O HETATM 3294 O HOH 197 34.625 -16.090 -1.712 1.00 37.96 O HETATM 3295 O HOH 198 27.590 -10.822 3.101 1.00 51.01 O HETATM 3296 O HOH 199 14.851 -1.855 -17.304 1.00 46.37 O HETATM 3297 O HOH 200 31.938 -17.392 -8.649 1.00 51.86 O HETATM 3298 O HOH 201 22.687 7.583 -15.714 1.00 53.21 O HETATM 3299 O HOH 202 33.910 -11.644 -14.785 1.00 30.78 O HETATM 3300 O HOH 203 31.401 -10.970 -15.490 1.00 40.51 O HETATM 3301 O HOH 204 12.788 -0.716 -9.850 1.00 48.55 O HETATM 3302 O HOH 205 26.357 11.154 -16.075 1.00 41.18 O HETATM 3303 O HOH 206 43.722 -3.494 -0.850 1.00 44.75 O HETATM 3304 O HOH 207 39.138 1.398 -10.396 1.00 33.96 O HETATM 3305 O HOH 208 37.438 5.942 4.344 1.00 46.81 O HETATM 3306 O HOH 209 41.544 -5.266 -0.980 1.00 36.73 O HETATM 3307 O HOH 210 27.649 -18.685 2.917 1.00 54.30 O HETATM 3308 O HOH 211 42.015 -4.688 -7.426 1.00 39.74 O HETATM 3309 O HOH 212 34.795 8.026 1.643 1.00 41.75 O HETATM 3310 O HOH 213 41.544 -0.041 4.349 1.00 41.39 O HETATM 3311 O HOH 214 31.630 0.327 0.878 1.00 28.95 O HETATM 3312 O HOH 215 14.503 -5.531 -19.307 1.00 39.16 O HETATM 3313 O HOH 216 24.425 3.667 -3.643 1.00 41.58 O HETATM 3314 O HOH 217 25.689 -9.280 6.058 1.00 59.06 O HETATM 3315 O HOH 218 16.034 -12.696 -1.074 1.00 48.02 O HETATM 3316 O HOH 219 35.095 -7.186 -15.354 1.00 25.57 O HETATM 3317 O HOH 220 19.879 4.847 -8.484 1.00 51.12 O HETATM 3318 O HOH 221 29.345 -13.371 1.561 1.00 38.27 O HETATM 3319 O HOH 222 15.385 -0.405 -10.348 1.00 44.57 O HETATM 3320 O HOH 223 33.215 -4.597 4.498 1.00 32.31 O HETATM 3321 O HOH 224 28.696 3.887 -18.724 1.00 48.58 O HETATM 3322 O HOH 225 29.669 -20.701 2.074 1.00 60.93 O HETATM 3323 O HOH 226 32.998 9.892 -12.280 1.00 39.99 O HETATM 3324 O HOH 227 27.792 -14.706 -20.956 1.00 50.48 O HETATM 3325 O HOH 228 22.009 -2.477 -0.316 1.00 35.84 O HETATM 3326 O HOH 229 28.449 -24.807 -2.636 1.00 51.54 O HETATM 3327 O HOH 230 31.059 6.595 3.241 1.00 54.48 O HETATM 3328 O HOH 231 26.434 -10.260 8.332 1.00 60.90 O HETATM 3329 O HOH 232 42.721 -1.132 -8.627 1.00 39.35 O HETATM 3330 O HOH 233 24.214 -13.576 -21.868 1.00 53.47 O HETATM 3331 O HOH 234 16.607 1.772 -12.718 1.00 60.96 O HETATM 3332 O HOH 235 12.063 1.737 -9.373 1.00 60.43 O HETATM 3333 C4 JP A 8 25.780 -14.058 -1.830 1.00 0.05 C HETATM 3334 C5 JP A 8 24.395 -14.569 -2.163 1.00 0.20 C HETATM 3335 N1 JP A 8 23.491 -14.749 -1.187 1.00 -0.20 N HETATM 3336 C1 JP A 8 23.665 -14.479 0.099 1.00 0.23 C HETATM 3337 C2 JP A 8 24.963 -13.869 0.529 1.00 0.14 C HETATM 3338 N2 JP A 8 25.288 -14.292 1.891 1.00 -0.24 N HETATM 3339 C6 JP A 8 25.453 -13.436 2.893 1.00 0.32 C HETATM 3340 O3 JP A 8 25.759 -14.045 4.149 1.00 -0.26 O HETATM 3341 C7 JP A 8 26.863 -13.677 5.022 1.00 0.12 C HETATM 3342 C8 JP A 8 26.274 -13.557 6.417 1.00 0.01 C HETATM 3343 C9 JP A 8 25.286 -14.646 6.807 1.00 -0.00 C HETATM 3344 C10 JP A 8 25.333 -14.770 8.312 1.00 -0.01 C HETATM 3345 C11 JP A 8 26.510 -13.884 8.713 1.00 -0.03 C HETATM 3346 N3 JP A 8 27.274 -13.604 7.516 1.00 0.23 N HETATM 3347 H16 JP A 8 27.949 -14.334 7.349 1.00 0.20 H HETATM 3348 H17 JP A 8 27.750 -12.719 7.599 1.00 0.20 H HETATM 3349 H3 JP A 8 27.141 -14.407 9.447 1.00 0.08 H HETATM 3350 H4 JP A 8 26.141 -12.945 9.151 1.00 0.08 H HETATM 3351 H10 JP A 8 24.398 -14.408 8.764 1.00 0.03 H HETATM 3352 H11 JP A 8 25.507 -15.813 8.614 1.00 0.03 H HETATM 3353 H8 JP A 8 25.573 -15.600 6.341 1.00 0.03 H HETATM 3354 H9 JP A 8 24.272 -14.369 6.483 1.00 0.03 H HETATM 3355 H7 JP A 8 25.757 -12.587 6.452 1.00 0.09 H HETATM 3356 H5 JP A 8 27.641 -14.454 5.002 1.00 0.07 H HETATM 3357 H6 JP A 8 27.296 -12.716 4.706 1.00 0.07 H HETATM 3358 O4 JP A 8 25.341 -12.219 2.785 1.00 -0.38 O HETATM 3359 H13 JP A 8 25.390 -15.269 2.076 1.00 0.19 H HETATM 3360 C3 JP A 8 26.104 -14.352 -0.367 1.00 0.01 C HETATM 3361 H14 JP A 8 27.032 -13.831 -0.088 1.00 0.03 H HETATM 3362 H15 JP A 8 26.238 -15.436 -0.234 1.00 0.03 H HETATM 3363 H18 JP A 8 24.885 -12.773 0.481 1.00 0.08 H HETATM 3364 O1 JP A 8 22.779 -14.749 0.905 1.00 -0.38 O HETATM 3365 H12 JP A 8 22.603 -15.122 -1.455 1.00 0.23 H HETATM 3366 O2 JP A 8 24.085 -14.800 -3.328 1.00 -0.39 O HETATM 3367 H1 JP A 8 25.819 -12.972 -2.001 1.00 0.05 H HETATM 3368 H2 JP A 8 26.518 -14.558 -2.475 1.00 0.05 H CONECT 1 2 6 7 8 CONECT 6 1 CONECT 7 1 CONECT 8 1 CONECT 101 100 3098 CONECT 137 136 3098 CONECT 736 735 3098 CONECT 760 759 3098 CONECT 1043 1044 1051 1052 1053 CONECT 1051 1043 CONECT 1052 1043 CONECT 1053 1043 CONECT 1146 1145 3099 CONECT 1182 1181 3099 CONECT 1786 1785 3099 CONECT 1810 1809 3099 CONECT 2089 2090 2094 2095 2096 CONECT 2094 2089 CONECT 2095 2089 CONECT 2096 2089 CONECT 2166 2165 3100 CONECT 2202 2201 3100 CONECT 2801 2800 3100 CONECT 2825 2824 3100 CONECT 3098 101 137 736 760 CONECT 3099 1146 1182 1786 1810 CONECT 3100 2166 2202 2801 2825 CONECT 3333 3334 3360 3367 3368 CONECT 3334 3333 3335 3366 CONECT 3335 3334 3336 3365 CONECT 3336 3335 3337 3364 CONECT 3337 3336 3338 3360 3363 CONECT 3338 3337 3339 3359 CONECT 3339 3338 3340 3358 CONECT 3340 3339 3341 CONECT 3341 3340 3342 3356 3357 CONECT 3342 3341 3343 3346 3355 CONECT 3343 3342 3344 3353 3354 CONECT 3344 3343 3345 3351 3352 CONECT 3345 3344 3346 3349 3350 CONECT 3346 3342 3345 3347 3348 CONECT 3347 3346 CONECT 3348 3346 CONECT 3349 3345 CONECT 3350 3345 CONECT 3351 3344 CONECT 3352 3344 CONECT 3353 3343 CONECT 3354 3343 CONECT 3355 3342 CONECT 3356 3341 CONECT 3357 3341 CONECT 3358 3339 CONECT 3359 3338 CONECT 3360 3333 3337 3361 3362 CONECT 3361 3360 CONECT 3362 3360 CONECT 3363 3337 CONECT 3364 3336 CONECT 3365 3335 CONECT 3366 3334 CONECT 3367 3333 CONECT 3368 3333 MASTER 0 0 0 0 0 0 0 0 3365 3 63 27 END
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Structure:
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Related entries of code: 6r1a
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5oh1
RCSB PDB
PDBbind
125aa, >5OH1_1|Chains... *
5oh2
RCSB PDB
PDBbind
125aa, >5OH2_1|Chains... at 100%
5oh3
RCSB PDB
PDBbind
125aa, >5OH3_1|Chains... at 100%
5oh4
RCSB PDB
PDBbind
125aa, >5OH4_1|Chains... at 100%
5oh7
RCSB PDB
PDBbind
125aa, >5OH7_1|Chains... at 100%
5oh9
RCSB PDB
PDBbind
125aa, >5OH9_1|Chains... at 100%
5oha
RCSB PDB
PDBbind
125aa, >5OHA_1|Chains... at 100%
6r1x
RCSB PDB
PDBbind
125aa, >6R1X_1|Chains... at 100%
6r1w
RCSB PDB
PDBbind
125aa, >6R1W_1|Chains... at 100%
6r1k
RCSB PDB
PDBbind
125aa, >6R1K_1|Chains... at 100%
6r1d
RCSB PDB
PDBbind
125aa, >6R1D_1|Chains... at 100%
6r1c
RCSB PDB
PDBbind
125aa, >6R1C_1|Chains... at 100%
6r18
RCSB PDB
PDBbind
125aa, >6R18_1|Chains... at 100%
6r13
RCSB PDB
PDBbind
125aa, >6R13_1|Chains... at 100%
6r12
RCSB PDB
PDBbind
125aa, >6R12_1|Chains... at 100%
6r0s
RCSB PDB
PDBbind
125aa, >6R0S_1|Chains... at 100%
6r0u
RCSB PDB
PDBbind
125aa, >6R0U_1|Chains... at 100%
6r0v
RCSB PDB
PDBbind
125aa, >6R0V_1|Chains... at 100%
6r11
RCSB PDB
PDBbind
125aa, >6R11_1|Chains... at 100%
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
6r1a
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JP8
EC.Number
E.C.-.-.-.-
Resolution
1.54(Å)
Affinity (Kd/Ki/IC50)
Ki=45uM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) J.Med.Chem. Vol. 62: pp. 6615-6629
Ligand Properties
Formula
C
1
1
H
1
8
N
3
O
4
Molecular Weight
256.278
Exact Mass
256.130
No. of atoms
36
No. of bonds
37
Polar Surface Area
101.11
LOGP Value
-0.70 (
Computed with XLOGP3
)
0.53 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
O=C1CC[C@@H](C(=O)N1)NC(=O)OC[C@H]1CCC[NH2+]1
InChI String
InChI=1S/C11H17N3O4/c15-9-4-3-8(10(16)14-9)13-11(17)18-6-7-2-1-5-12-7/h7-8,12H,1-6H2,(H,13,17)(H,14,15,16)/p+1/t7-,8+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
A4TVL0
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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