Browse entries in the PDBbind-CN Database
HEADER 6R18_COMPLEX COMPND 6R18_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 111 VAL LEU ALA PRO GLY ALA SER ILE PHE ARG CYS ARG GLN SEQRES 2 A 111 CYS GLY GLN THR ILE SER ARG ARG ASP TRP LEU LEU PRO SEQRES 3 A 111 MET GLY GLY ASP HIS GLU HIS VAL VAL PHE ASN PRO ALA SEQRES 4 A 111 GLY MET ILE PHE ARG VAL TRP CYS PHE SER LEU ALA GLN SEQRES 5 A 111 GLY LEU ARG LEU ILE GLY ALA PRO SER GLY GLU PHE SER SEQRES 6 A 111 TRP PHE LYS GLY TYR ASP TRP THR ILE ALA LEU CYS GLY SEQRES 7 A 111 GLN CYS GLY SER HIS LEU GLY TRP HIS TYR GLU GLY GLY SEQRES 8 A 111 SER GLN PRO GLN THR PHE PHE GLY LEU ILE LYS ASP ARG SEQRES 9 A 111 LEU ALA GLU GLY PRO ALA ASP SEQRES 1 B 5 MET VAL LEU ALA PRO SEQRES 1 B 104 SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR ILE SER SEQRES 2 B 104 ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP HIS GLU SEQRES 3 B 104 HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE ARG VAL SEQRES 4 B 104 TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU ILE GLY SEQRES 5 B 104 ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY TYR ASP SEQRES 6 B 104 TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER HIS LEU SEQRES 7 B 104 GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN THR PHE SEQRES 8 B 104 PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY PRO ALA SEQRES 1 C 106 GLY ALA SER ILE PHE ARG CYS ARG GLN CYS GLY GLN THR SEQRES 2 C 106 ILE SER ARG ARG ASP TRP LEU LEU PRO MET GLY GLY ASP SEQRES 3 C 106 HIS GLU HIS VAL VAL PHE ASN PRO ALA GLY MET ILE PHE SEQRES 4 C 106 ARG VAL TRP CYS PHE SER LEU ALA GLN GLY LEU ARG LEU SEQRES 5 C 106 ILE GLY ALA PRO SER GLY GLU PHE SER TRP PHE LYS GLY SEQRES 6 C 106 TYR ASP TRP THR ILE ALA LEU CYS GLY GLN CYS GLY SER SEQRES 7 C 106 HIS LEU GLY TRP HIS TYR GLU GLY GLY SER GLN PRO GLN SEQRES 8 C 106 THR PHE PHE GLY LEU ILE LYS ASP ARG LEU ALA GLU GLY SEQRES 9 C 106 PRO ALA HET ZN A 1 1 HET ZN A 2 1 HET ZN A 3 1 HET JOQ A 611 36 ATOM 1 N VAL A 14 7.943 8.145 23.333 1.00 44.11 N ATOM 2 CA VAL A 14 8.944 8.170 24.452 1.00 42.97 C ATOM 3 C VAL A 14 8.996 9.503 25.190 1.00 41.40 C ATOM 4 O VAL A 14 8.698 10.558 24.626 1.00 41.98 O ATOM 5 CB VAL A 14 10.380 7.871 23.975 1.00 44.20 C ATOM 6 CG1 VAL A 14 10.497 6.425 23.488 1.00 44.33 C ATOM 7 CG2 VAL A 14 10.808 8.866 22.906 1.00 42.42 C ATOM 8 HN3 VAL A 14 8.185 8.878 22.637 1.00 0.00 H ATOM 9 HN2 VAL A 14 6.993 8.328 23.715 1.00 0.00 H ATOM 10 HN1 VAL A 14 7.960 7.211 22.875 1.00 0.00 H ATOM 11 N LEU A 15 9.452 9.449 26.430 1.00 37.68 N ATOM 12 CA LEU A 15 9.701 10.656 27.239 1.00 36.02 C ATOM 13 C LEU A 15 11.095 11.197 26.975 1.00 33.86 C ATOM 14 O LEU A 15 12.054 10.399 26.905 1.00 33.35 O ATOM 15 CB LEU A 15 9.603 10.261 28.696 1.00 37.09 C ATOM 16 CG LEU A 15 8.247 9.724 29.154 1.00 38.35 C ATOM 17 CD1 LEU A 15 8.329 9.156 30.567 1.00 37.94 C ATOM 18 CD2 LEU A 15 7.221 10.839 29.001 1.00 39.24 C ATOM 19 H LEU A 15 9.643 8.518 26.852 1.00 0.00 H ATOM 20 N ALA A 16 11.216 12.524 26.843 1.00 30.42 N ATOM 21 CA ALA A 16 12.526 13.172 26.663 1.00 27.92 C ATOM 22 C ALA A 16 13.414 12.586 25.538 1.00 27.04 C ATOM 23 O ALA A 16 14.559 12.216 25.794 1.00 24.56 O ATOM 24 CB ALA A 16 13.291 13.168 27.995 1.00 28.94 C ATOM 25 H ALA A 16 10.360 13.114 26.868 1.00 0.00 H ATOM 26 N PRO A 17 12.912 12.495 24.310 1.00 27.26 N ATOM 27 CA PRO A 17 13.721 11.929 23.223 1.00 26.72 C ATOM 28 C PRO A 17 14.927 12.830 22.897 1.00 25.26 C ATOM 29 O PRO A 17 14.807 14.048 23.026 1.00 26.57 O ATOM 30 CB PRO A 17 12.751 11.894 22.025 1.00 28.24 C ATOM 31 CG PRO A 17 11.715 12.895 22.386 1.00 29.59 C ATOM 32 CD PRO A 17 11.551 12.857 23.848 1.00 29.19 C ATOM 33 N GLY A 18 16.071 12.214 22.622 1.00 24.33 N ATOM 34 CA GLY A 18 17.317 12.935 22.366 1.00 23.40 C ATOM 35 C GLY A 18 17.649 12.954 20.905 1.00 24.60 C ATOM 36 O GLY A 18 18.699 13.497 20.517 1.00 26.55 O ATOM 37 H GLY A 18 16.081 11.175 22.587 1.00 0.00 H ATOM 38 N ALA A 19 16.820 12.363 20.063 1.00 26.22 N ATOM 39 CA ALA A 19 17.120 12.215 18.627 1.00 27.29 C ATOM 40 C ALA A 19 15.854 12.576 17.888 1.00 27.47 C ATOM 41 O ALA A 19 15.132 11.695 17.334 1.00 33.16 O ATOM 42 CB ALA A 19 17.516 10.781 18.300 1.00 28.79 C ATOM 43 H ALA A 19 15.921 11.988 20.427 1.00 0.00 H ATOM 44 N SER A 20 15.482 13.768 18.087 1.00 23.96 N ATOM 45 CA SER A 20 14.299 14.330 17.499 1.00 23.17 C ATOM 46 C SER A 20 14.471 15.375 16.279 1.00 21.48 C ATOM 47 O SER A 20 13.793 15.229 15.341 1.00 21.96 O ATOM 48 CB SER A 20 13.564 15.028 18.615 1.00 25.48 C ATOM 49 OG SER A 20 12.291 15.290 18.147 1.00 26.15 O ATOM 50 HG SER A 20 12.348 15.868 17.346 1.00 0.00 H ATOM 51 H SER A 20 16.061 14.370 18.706 1.00 0.00 H ATOM 52 N ILE A 21 15.307 16.371 16.509 1.00 17.86 N ATOM 53 CA ILE A 21 15.479 17.386 15.554 1.00 18.08 C ATOM 54 C ILE A 21 16.919 17.505 15.103 1.00 14.67 C ATOM 55 O ILE A 21 17.825 17.101 15.763 1.00 15.27 O ATOM 56 CB ILE A 21 14.952 18.691 16.037 1.00 22.26 C ATOM 57 CG1 ILE A 21 15.831 19.217 17.048 1.00 23.19 C ATOM 58 CG2 ILE A 21 13.546 18.610 16.633 1.00 23.36 C ATOM 59 CD1 ILE A 21 15.565 20.666 17.305 1.00 24.98 C ATOM 60 H ILE A 21 15.840 16.404 17.401 1.00 0.00 H ATOM 61 N PHE A 22 17.043 17.954 13.884 1.00 12.09 N ATOM 62 CA PHE A 22 18.314 18.198 13.268 1.00 11.86 C ATOM 63 C PHE A 22 18.531 19.705 13.156 1.00 11.23 C ATOM 64 O PHE A 22 17.714 20.421 12.678 1.00 12.10 O ATOM 65 CB PHE A 22 18.354 17.591 11.841 1.00 12.12 C ATOM 66 CG PHE A 22 18.330 16.095 11.815 1.00 13.18 C ATOM 67 CD1 PHE A 22 19.465 15.389 11.997 1.00 15.40 C ATOM 68 CD2 PHE A 22 17.158 15.416 11.639 1.00 14.60 C ATOM 69 CE1 PHE A 22 19.453 14.029 12.019 1.00 17.18 C ATOM 70 CE2 PHE A 22 17.150 14.061 11.653 1.00 15.64 C ATOM 71 CZ PHE A 22 18.287 13.376 11.844 1.00 15.97 C ATOM 72 H PHE A 22 16.181 18.143 13.335 1.00 0.00 H ATOM 73 N ARG A 23 19.691 20.127 13.641 1.00 10.96 N ATOM 74 CA ARG A 23 20.159 21.495 13.560 1.00 11.45 C ATOM 75 C ARG A 23 21.401 21.601 12.691 1.00 10.95 C ATOM 76 O ARG A 23 22.138 20.652 12.524 1.00 12.02 O ATOM 77 CB ARG A 23 20.471 21.975 14.988 1.00 12.30 C ATOM 78 CG ARG A 23 19.295 22.056 15.840 1.00 13.06 C ATOM 79 CD ARG A 23 19.582 22.682 17.238 1.00 13.84 C ATOM 80 NE ARG A 23 18.397 22.820 18.011 1.00 15.15 N ATOM 81 CZ ARG A 23 17.481 23.740 17.819 1.00 16.26 C ATOM 82 NH1 ARG A 23 17.687 24.779 17.032 1.00 16.78 N ATOM 83 NH2 ARG A 23 16.324 23.670 18.480 1.00 18.74 N ATOM 84 HE ARG A 23 18.245 22.142 18.785 1.00 0.00 H ATOM 85 HH12 ARG A 23 16.939 25.490 16.902 1.00 0.00 H ATOM 86 HH11 ARG A 23 18.598 24.887 16.541 1.00 0.00 H ATOM 87 HH22 ARG A 23 15.595 24.397 18.331 1.00 0.00 H ATOM 88 HH21 ARG A 23 16.151 22.889 19.144 1.00 0.00 H ATOM 89 H ARG A 23 20.304 19.430 14.110 1.00 0.00 H ATOM 90 N CYS A 24 21.643 22.790 12.152 1.00 10.73 N ATOM 91 CA CYS A 24 22.912 23.079 11.468 1.00 10.71 C ATOM 92 C CYS A 24 24.060 22.795 12.426 1.00 11.42 C ATOM 93 O CYS A 24 24.097 23.347 13.540 1.00 11.76 O ATOM 94 CB CYS A 24 22.944 24.494 10.960 1.00 11.25 C ATOM 95 SG CYS A 24 24.516 24.915 10.221 1.00 11.67 S ATOM 96 H CYS A 24 20.919 23.534 12.215 1.00 0.00 H ATOM 97 N ARG A 25 25.025 21.970 12.008 1.00 11.03 N ATOM 98 CA ARG A 25 26.185 21.680 12.851 1.00 12.28 C ATOM 99 C ARG A 25 27.013 22.901 13.152 1.00 13.15 C ATOM 100 O ARG A 25 27.679 22.948 14.205 1.00 13.39 O ATOM 101 CB ARG A 25 27.019 20.598 12.164 1.00 12.52 C ATOM 102 CG ARG A 25 28.278 20.216 12.872 1.00 12.93 C ATOM 103 CD ARG A 25 28.946 19.126 12.130 1.00 12.66 C ATOM 104 NE ARG A 25 30.241 18.835 12.708 1.00 13.89 N ATOM 105 CZ ARG A 25 31.078 17.917 12.299 1.00 13.55 C ATOM 106 NH1 ARG A 25 30.786 17.102 11.330 1.00 12.54 N ATOM 107 NH2 ARG A 25 32.265 17.841 12.873 1.00 14.59 N ATOM 108 HE ARG A 25 30.533 19.409 13.524 1.00 0.00 H ATOM 109 HH12 ARG A 25 31.475 16.383 11.030 1.00 0.00 H ATOM 110 HH11 ARG A 25 29.863 17.168 10.855 1.00 0.00 H ATOM 111 HH22 ARG A 25 32.947 17.119 12.564 1.00 0.00 H ATOM 112 HH21 ARG A 25 32.518 18.503 13.634 1.00 0.00 H ATOM 113 H ARG A 25 24.950 21.528 11.070 1.00 0.00 H ATOM 114 N GLN A 26 27.060 23.867 12.235 1.00 13.66 N ATOM 115 CA GLN A 26 27.935 25.025 12.397 1.00 15.61 C ATOM 116 C GLN A 26 27.348 26.063 13.287 1.00 16.14 C ATOM 117 O GLN A 26 28.128 26.846 13.878 1.00 20.18 O ATOM 118 CB GLN A 26 28.294 25.569 11.047 1.00 17.17 C ATOM 119 CG GLN A 26 29.099 24.614 10.253 1.00 19.53 C ATOM 120 CD GLN A 26 30.311 24.052 10.945 1.00 24.50 C ATOM 121 OE1 GLN A 26 31.049 24.776 11.575 1.00 27.33 O ATOM 122 NE2 GLN A 26 30.477 22.725 10.893 1.00 26.84 N ATOM 123 HE22 GLN A 26 29.819 22.140 10.339 1.00 0.00 H ATOM 124 HE21 GLN A 26 31.264 22.279 11.406 1.00 0.00 H ATOM 125 H GLN A 26 26.462 23.795 11.387 1.00 0.00 H ATOM 126 N CYS A 27 26.041 26.226 13.427 1.00 13.89 N ATOM 127 CA CYS A 27 25.462 27.341 14.142 1.00 13.95 C ATOM 128 C CYS A 27 24.300 27.032 15.012 1.00 14.51 C ATOM 129 O CYS A 27 23.863 27.850 15.809 1.00 16.19 O ATOM 130 CB CYS A 27 25.107 28.469 13.156 1.00 12.63 C ATOM 131 SG CYS A 27 23.611 28.139 12.190 1.00 12.60 S ATOM 132 H CYS A 27 25.404 25.521 13.004 1.00 0.00 H ATOM 133 N GLY A 28 23.613 25.877 14.843 1.00 13.17 N ATOM 134 CA GLY A 28 22.451 25.553 15.583 1.00 12.75 C ATOM 135 C GLY A 28 21.087 25.893 15.068 1.00 13.05 C ATOM 136 O GLY A 28 20.068 25.520 15.655 1.00 13.33 O ATOM 137 H GLY A 28 23.956 25.196 14.136 1.00 0.00 H ATOM 138 N GLN A 29 21.006 26.458 13.860 1.00 12.97 N ATOM 139 CA GLN A 29 19.723 26.738 13.233 1.00 12.53 C ATOM 140 C GLN A 29 18.897 25.444 13.147 1.00 12.75 C ATOM 141 O GLN A 29 19.404 24.422 12.743 1.00 11.79 O ATOM 142 CB GLN A 29 19.991 27.244 11.810 1.00 12.17 C ATOM 143 CG GLN A 29 18.760 27.451 10.951 1.00 11.95 C ATOM 144 CD GLN A 29 18.135 28.804 11.121 1.00 12.09 C ATOM 145 OE1 GLN A 29 18.021 29.316 12.256 1.00 13.19 O ATOM 146 NE2 GLN A 29 17.782 29.432 10.012 1.00 11.90 N ATOM 147 HE22 GLN A 29 17.896 28.964 9.090 1.00 0.00 H ATOM 148 HE21 GLN A 29 17.390 30.394 10.061 1.00 0.00 H ATOM 149 H GLN A 29 21.882 26.704 13.355 1.00 0.00 H ATOM 150 N THR A 30 17.617 25.538 13.497 1.00 13.04 N ATOM 151 CA THR A 30 16.736 24.380 13.346 1.00 13.66 C ATOM 152 C THR A 30 16.518 24.089 11.853 1.00 12.72 C ATOM 153 O THR A 30 16.172 25.005 11.154 1.00 12.89 O ATOM 154 CB THR A 30 15.372 24.700 13.983 1.00 16.24 C ATOM 155 OG1 THR A 30 15.571 25.497 15.222 1.00 22.37 O ATOM 156 CG2 THR A 30 14.641 23.471 14.118 1.00 17.23 C ATOM 157 HG1 THR A 30 14.691 25.700 15.627 1.00 0.00 H ATOM 158 H THR A 30 17.244 26.432 13.877 1.00 0.00 H ATOM 159 N ILE A 31 16.713 22.847 11.424 1.00 11.77 N ATOM 160 CA ILE A 31 16.609 22.456 10.003 1.00 12.37 C ATOM 161 C ILE A 31 15.549 21.391 9.755 1.00 11.98 C ATOM 162 O ILE A 31 14.753 21.553 8.832 1.00 13.26 O ATOM 163 CB ILE A 31 17.952 21.999 9.445 1.00 11.97 C ATOM 164 CG1 ILE A 31 19.050 23.017 9.617 1.00 11.67 C ATOM 165 CG2 ILE A 31 17.831 21.623 7.984 1.00 12.77 C ATOM 166 CD1 ILE A 31 18.861 24.307 8.908 1.00 11.76 C ATOM 167 H ILE A 31 16.950 22.114 12.123 1.00 0.00 H ATOM 168 N SER A 32 15.558 20.260 10.445 1.00 11.91 N ATOM 169 CA SER A 32 14.550 19.241 10.115 1.00 12.61 C ATOM 170 C SER A 32 14.336 18.354 11.332 1.00 13.21 C ATOM 171 O SER A 32 14.744 18.673 12.445 1.00 13.15 O ATOM 172 CB SER A 32 14.937 18.479 8.853 1.00 12.83 C ATOM 173 OG SER A 32 13.809 17.695 8.379 1.00 14.48 O ATOM 174 HG SER A 32 13.051 18.299 8.176 1.00 0.00 H ATOM 175 H SER A 32 16.257 20.098 11.198 1.00 0.00 H ATOM 176 N ARG A 33 13.638 17.243 11.118 1.00 14.22 N ATOM 177 CA ARG A 33 13.173 16.359 12.198 1.00 16.00 C ATOM 178 C ARG A 33 13.319 14.967 11.742 1.00 15.52 C ATOM 179 O ARG A 33 13.069 14.662 10.529 1.00 14.84 O ATOM 180 CB ARG A 33 11.700 16.603 12.561 1.00 17.96 C ATOM 181 CG ARG A 33 11.380 18.054 12.940 1.00 20.75 C ATOM 182 CD ARG A 33 9.940 18.097 13.501 1.00 24.12 C ATOM 183 NE ARG A 33 9.874 17.534 14.849 1.00 29.52 N ATOM 184 CZ ARG A 33 9.986 18.242 15.992 1.00 33.21 C ATOM 185 NH1 ARG A 33 10.184 19.572 15.998 1.00 35.25 N ATOM 186 NH2 ARG A 33 9.928 17.622 17.158 1.00 37.18 N ATOM 187 HE ARG A 33 9.729 16.508 14.933 1.00 0.00 H ATOM 188 HH12 ARG A 33 10.265 20.082 16.901 1.00 0.00 H ATOM 189 HH11 ARG A 33 10.256 20.091 15.100 1.00 0.00 H ATOM 190 HH22 ARG A 33 10.014 18.165 18.041 1.00 0.00 H ATOM 191 HH21 ARG A 33 9.796 16.591 17.193 1.00 0.00 H ATOM 192 H ARG A 33 13.409 16.986 10.137 1.00 0.00 H ATOM 193 N ARG A 34 13.666 14.041 12.633 1.00 15.93 N ATOM 194 CA ARG A 34 13.723 12.630 12.248 1.00 17.26 C ATOM 195 C ARG A 34 12.374 12.106 11.726 1.00 17.59 C ATOM 196 O ARG A 34 12.358 11.280 10.811 1.00 16.95 O ATOM 197 CB ARG A 34 14.197 11.833 13.473 1.00 20.00 C ATOM 198 CG ARG A 34 14.272 10.353 13.219 1.00 22.17 C ATOM 199 CD ARG A 34 15.202 9.620 14.206 1.00 24.93 C ATOM 200 NE ARG A 34 16.607 9.825 13.884 1.00 26.33 N ATOM 201 CZ ARG A 34 17.346 9.143 13.008 1.00 26.66 C ATOM 202 NH1 ARG A 34 16.866 8.146 12.249 1.00 27.88 N ATOM 203 NH2 ARG A 34 18.612 9.463 12.874 1.00 27.41 N ATOM 204 HE ARG A 34 17.090 10.591 14.396 1.00 0.00 H ATOM 205 HH12 ARG A 34 17.493 7.651 11.583 1.00 0.00 H ATOM 206 HH11 ARG A 34 15.867 7.868 12.327 1.00 0.00 H ATOM 207 HH22 ARG A 34 19.210 8.947 12.198 1.00 0.00 H ATOM 208 HH21 ARG A 34 19.017 10.233 13.444 1.00 0.00 H ATOM 209 H ARG A 34 13.898 14.321 13.607 1.00 0.00 H ATOM 210 N ASP A 35 11.280 12.653 12.256 1.00 17.49 N ATOM 211 CA ASP A 35 9.961 12.221 11.793 1.00 19.34 C ATOM 212 C ASP A 35 9.731 12.536 10.338 1.00 18.16 C ATOM 213 O ASP A 35 8.791 11.977 9.732 1.00 17.79 O ATOM 214 CB ASP A 35 8.856 12.862 12.648 1.00 21.92 C ATOM 215 CG ASP A 35 8.775 12.213 14.054 1.00 25.18 C ATOM 216 OD1 ASP A 35 9.306 11.112 14.247 1.00 29.82 O ATOM 217 OD2 ASP A 35 8.183 12.789 14.923 1.00 32.02 O ATOM 218 H ASP A 35 11.363 13.382 12.993 1.00 0.00 H ATOM 219 N TRP A 36 10.518 13.443 9.758 1.00 15.90 N ATOM 220 CA TRP A 36 10.343 13.865 8.373 1.00 16.15 C ATOM 221 C TRP A 36 11.291 13.140 7.429 1.00 14.62 C ATOM 222 O TRP A 36 11.286 13.437 6.207 1.00 14.99 O ATOM 223 CB TRP A 36 10.503 15.381 8.257 1.00 15.97 C ATOM 224 CG TRP A 36 9.539 16.191 9.100 1.00 17.69 C ATOM 225 CD1 TRP A 36 8.317 15.781 9.613 1.00 19.32 C ATOM 226 CD2 TRP A 36 9.636 17.574 9.405 1.00 19.36 C ATOM 227 NE1 TRP A 36 7.698 16.822 10.198 1.00 21.38 N ATOM 228 CE2 TRP A 36 8.482 17.928 10.124 1.00 20.80 C ATOM 229 CE3 TRP A 36 10.631 18.531 9.204 1.00 21.16 C ATOM 230 CZ2 TRP A 36 8.251 19.258 10.551 1.00 21.23 C ATOM 231 CZ3 TRP A 36 10.417 19.809 9.614 1.00 20.47 C ATOM 232 CH2 TRP A 36 9.249 20.161 10.352 1.00 20.65 C ATOM 233 HE1 TRP A 36 6.758 16.785 10.641 1.00 0.00 H ATOM 234 H TRP A 36 11.287 13.866 10.316 1.00 0.00 H ATOM 235 N LEU A 37 12.020 12.155 7.875 1.00 15.92 N ATOM 236 CA LEU A 37 12.841 11.362 6.956 1.00 16.20 C ATOM 237 C LEU A 37 11.945 10.710 5.895 1.00 16.61 C ATOM 238 O LEU A 37 10.816 10.288 6.171 1.00 18.12 O ATOM 239 CB LEU A 37 13.611 10.313 7.704 1.00 18.05 C ATOM 240 CG LEU A 37 14.854 10.851 8.393 1.00 17.97 C ATOM 241 CD1 LEU A 37 15.424 9.873 9.441 1.00 20.51 C ATOM 242 CD2 LEU A 37 15.962 11.209 7.408 1.00 17.84 C ATOM 243 H LEU A 37 12.019 11.931 8.890 1.00 0.00 H ATOM 244 N LEU A 38 12.452 10.598 4.681 1.00 16.33 N ATOM 245 CA LEU A 38 11.657 10.210 3.524 1.00 17.54 C ATOM 246 C LEU A 38 12.399 9.109 2.776 1.00 18.95 C ATOM 247 O LEU A 38 13.450 9.355 2.228 1.00 17.92 O ATOM 248 CB LEU A 38 11.499 11.408 2.589 1.00 18.18 C ATOM 249 CG LEU A 38 10.773 11.158 1.279 1.00 18.25 C ATOM 250 CD1 LEU A 38 9.301 10.763 1.499 1.00 19.62 C ATOM 251 CD2 LEU A 38 10.856 12.382 0.415 1.00 18.88 C ATOM 252 H LEU A 38 13.464 10.796 4.545 1.00 0.00 H ATOM 253 N PRO A 39 11.876 7.879 2.727 1.00 20.99 N ATOM 254 CA PRO A 39 12.537 6.801 1.999 1.00 22.16 C ATOM 255 C PRO A 39 12.430 6.780 0.489 1.00 24.33 C ATOM 256 O PRO A 39 11.773 5.900 -0.116 1.00 30.36 O ATOM 257 CB PRO A 39 11.891 5.551 2.617 1.00 23.97 C ATOM 258 CG PRO A 39 10.523 5.993 2.903 1.00 24.32 C ATOM 259 CD PRO A 39 10.685 7.397 3.470 1.00 22.93 C ATOM 260 N MET A 40 13.165 7.617 -0.176 1.00 22.43 N ATOM 261 CA MET A 40 13.256 7.725 -1.631 1.00 21.81 C ATOM 262 C MET A 40 13.868 6.499 -2.230 1.00 23.43 C ATOM 263 O MET A 40 14.955 6.099 -1.823 1.00 23.52 O ATOM 264 CB MET A 40 14.056 8.964 -1.973 1.00 21.44 C ATOM 265 CG MET A 40 13.391 10.294 -1.697 1.00 21.77 C ATOM 266 SD MET A 40 11.905 10.607 -2.625 1.00 24.83 S ATOM 267 CE MET A 40 12.557 10.676 -4.274 1.00 24.33 C ATOM 268 H MET A 40 13.746 8.276 0.381 1.00 0.00 H ATOM 269 N GLY A 41 13.171 5.823 -3.138 1.00 24.90 N ATOM 270 CA GLY A 41 13.720 4.595 -3.685 1.00 25.96 C ATOM 271 C GLY A 41 13.919 3.526 -2.644 1.00 26.67 C ATOM 272 O GLY A 41 14.796 2.654 -2.807 1.00 29.80 O ATOM 273 H GLY A 41 12.243 6.170 -3.453 1.00 0.00 H ATOM 274 N GLY A 42 13.162 3.572 -1.550 1.00 26.43 N ATOM 275 CA GLY A 42 13.237 2.591 -0.473 1.00 26.45 C ATOM 276 C GLY A 42 14.257 2.851 0.627 1.00 26.90 C ATOM 277 O GLY A 42 14.386 2.066 1.549 1.00 29.26 O ATOM 278 H GLY A 42 12.479 4.351 -1.458 1.00 0.00 H ATOM 279 N ASP A 43 14.960 3.972 0.562 1.00 25.23 N ATOM 280 CA ASP A 43 15.965 4.267 1.603 1.00 24.88 C ATOM 281 C ASP A 43 16.025 5.747 1.783 1.00 21.59 C ATOM 282 O ASP A 43 16.104 6.463 0.817 1.00 21.86 O ATOM 283 CB ASP A 43 17.346 3.765 1.161 1.00 26.53 C ATOM 284 CG ASP A 43 18.314 3.562 2.329 1.00 28.81 C ATOM 285 OD1 ASP A 43 18.221 4.257 3.404 1.00 28.90 O ATOM 286 OD2 ASP A 43 19.207 2.689 2.190 1.00 33.51 O ATOM 287 H ASP A 43 14.805 4.641 -0.219 1.00 0.00 H ATOM 288 N HIS A 44 16.075 6.208 3.025 1.00 21.77 N ATOM 289 CA HIS A 44 16.290 7.643 3.250 1.00 20.98 C ATOM 290 C HIS A 44 17.728 8.057 3.004 1.00 19.53 C ATOM 291 O HIS A 44 17.964 9.237 2.771 1.00 19.20 O ATOM 292 CB HIS A 44 15.775 8.103 4.605 1.00 21.80 C ATOM 293 CG HIS A 44 16.558 7.619 5.786 1.00 23.45 C ATOM 294 ND1 HIS A 44 16.049 6.688 6.667 1.00 27.96 N ATOM 295 CD2 HIS A 44 17.796 7.938 6.245 1.00 24.16 C ATOM 296 CE1 HIS A 44 16.970 6.416 7.580 1.00 28.42 C ATOM 297 NE2 HIS A 44 18.020 7.199 7.369 1.00 25.67 N ATOM 298 H HIS A 44 15.963 5.560 3.831 1.00 0.00 H ATOM 299 N GLU A 45 18.660 7.121 2.993 1.00 19.65 N ATOM 300 CA GLU A 45 20.038 7.436 2.751 1.00 19.59 C ATOM 301 C GLU A 45 20.488 7.095 1.348 1.00 19.24 C ATOM 302 O GLU A 45 20.257 5.979 0.867 1.00 20.63 O ATOM 303 CB GLU A 45 20.906 6.710 3.765 1.00 21.28 C ATOM 304 CG GLU A 45 22.395 6.990 3.658 1.00 23.06 C ATOM 305 CD GLU A 45 23.146 6.297 4.778 1.00 26.02 C ATOM 306 OE1 GLU A 45 23.101 6.797 5.910 1.00 27.19 O ATOM 307 OE2 GLU A 45 23.757 5.221 4.574 1.00 29.49 O ATOM 308 H GLU A 45 18.388 6.132 3.164 1.00 0.00 H ATOM 309 N HIS A 46 21.132 8.058 0.712 1.00 18.32 N ATOM 310 CA HIS A 46 21.647 7.901 -0.655 1.00 18.74 C ATOM 311 C HIS A 46 23.060 8.408 -0.693 1.00 18.61 C ATOM 312 O HIS A 46 23.344 9.492 -0.239 1.00 18.22 O ATOM 313 CB HIS A 46 20.796 8.705 -1.622 1.00 19.57 C ATOM 314 CG HIS A 46 19.444 8.105 -1.840 1.00 20.99 C ATOM 315 ND1 HIS A 46 19.088 7.467 -3.013 1.00 23.43 N ATOM 316 CD2 HIS A 46 18.385 7.988 -1.006 1.00 21.86 C ATOM 317 CE1 HIS A 46 17.841 7.020 -2.884 1.00 25.06 C ATOM 318 NE2 HIS A 46 17.425 7.273 -1.669 1.00 22.32 N ATOM 319 H HIS A 46 21.280 8.965 1.199 1.00 0.00 H ATOM 320 N VAL A 47 24.013 7.560 -1.124 1.00 19.04 N ATOM 321 CA VAL A 47 25.407 7.942 -1.146 1.00 20.13 C ATOM 322 C VAL A 47 25.781 8.262 -2.561 1.00 18.59 C ATOM 323 O VAL A 47 25.624 7.448 -3.486 1.00 20.14 O ATOM 324 CB VAL A 47 26.346 6.847 -0.561 1.00 23.52 C ATOM 325 CG1 VAL A 47 27.762 7.346 -0.539 1.00 24.86 C ATOM 326 CG2 VAL A 47 25.945 6.491 0.858 1.00 25.01 C ATOM 327 H VAL A 47 23.740 6.610 -1.448 1.00 0.00 H ATOM 328 N VAL A 48 26.250 9.469 -2.778 1.00 16.65 N ATOM 329 CA VAL A 48 26.361 10.057 -4.126 1.00 16.84 C ATOM 330 C VAL A 48 27.630 10.832 -4.251 1.00 17.34 C ATOM 331 O VAL A 48 28.238 11.144 -3.229 1.00 19.09 O ATOM 332 CB VAL A 48 25.166 10.969 -4.416 1.00 17.07 C ATOM 333 CG1 VAL A 48 23.879 10.138 -4.451 1.00 19.16 C ATOM 334 CG2 VAL A 48 25.069 12.090 -3.369 1.00 17.48 C ATOM 335 H VAL A 48 26.557 10.036 -1.962 1.00 0.00 H ATOM 336 N PHE A 49 28.085 11.102 -5.480 1.00 17.33 N ATOM 337 CA PHE A 49 29.158 12.038 -5.692 1.00 17.82 C ATOM 338 C PHE A 49 28.862 13.054 -6.715 1.00 16.51 C ATOM 339 O PHE A 49 28.093 12.802 -7.662 1.00 17.43 O ATOM 340 CB PHE A 49 30.545 11.356 -5.969 1.00 21.68 C ATOM 341 CG PHE A 49 30.601 10.594 -7.172 1.00 24.16 C ATOM 342 CD1 PHE A 49 30.230 9.239 -7.214 1.00 25.65 C ATOM 343 CD2 PHE A 49 31.080 11.170 -8.354 1.00 25.48 C ATOM 344 CE1 PHE A 49 30.297 8.516 -8.393 1.00 26.90 C ATOM 345 CE2 PHE A 49 31.152 10.440 -9.553 1.00 27.04 C ATOM 346 CZ PHE A 49 30.734 9.126 -9.569 1.00 27.65 C ATOM 347 H PHE A 49 27.655 10.626 -6.299 1.00 0.00 H ATOM 348 N ASN A 50 29.440 14.225 -6.630 1.00 16.82 N ATOM 349 CA ASN A 50 29.271 15.328 -7.591 1.00 18.12 C ATOM 350 C ASN A 50 30.409 15.320 -8.639 1.00 18.67 C ATOM 351 O ASN A 50 31.332 14.506 -8.582 1.00 18.95 O ATOM 352 CB ASN A 50 29.081 16.639 -6.825 1.00 19.10 C ATOM 353 CG ASN A 50 30.351 17.128 -6.155 1.00 19.75 C ATOM 354 OD1 ASN A 50 31.448 16.609 -6.372 1.00 19.81 O ATOM 355 ND2 ASN A 50 30.208 18.156 -5.369 1.00 21.99 N ATOM 356 HD22 ASN A 50 29.264 18.564 -5.213 1.00 0.00 H ATOM 357 HD21 ASN A 50 31.038 18.569 -4.897 1.00 0.00 H ATOM 358 H ASN A 50 30.069 14.390 -5.819 1.00 0.00 H ATOM 359 N PRO A 51 30.350 16.256 -9.606 1.00 20.18 N ATOM 360 CA PRO A 51 31.387 16.273 -10.660 1.00 21.17 C ATOM 361 C PRO A 51 32.771 16.580 -10.137 1.00 21.17 C ATOM 362 O PRO A 51 33.738 16.165 -10.793 1.00 23.27 O ATOM 363 CB PRO A 51 30.892 17.363 -11.618 1.00 22.12 C ATOM 364 CG PRO A 51 29.383 17.322 -11.460 1.00 22.47 C ATOM 365 CD PRO A 51 29.169 17.092 -9.992 1.00 21.31 C ATOM 366 N ALA A 52 32.885 17.199 -8.974 1.00 20.20 N ATOM 367 CA ALA A 52 34.191 17.450 -8.326 1.00 20.72 C ATOM 368 C ALA A 52 34.662 16.257 -7.515 1.00 20.27 C ATOM 369 O ALA A 52 35.659 16.331 -6.827 1.00 19.52 O ATOM 370 CB ALA A 52 34.131 18.694 -7.507 1.00 21.40 C ATOM 371 H ALA A 52 32.021 17.523 -8.495 1.00 0.00 H ATOM 372 N GLY A 53 33.934 15.159 -7.573 1.00 18.26 N ATOM 373 CA GLY A 53 34.266 13.920 -6.866 1.00 19.49 C ATOM 374 C GLY A 53 33.977 13.856 -5.367 1.00 18.21 C ATOM 375 O GLY A 53 34.349 12.874 -4.726 1.00 20.10 O ATOM 376 H GLY A 53 33.073 15.174 -8.156 1.00 0.00 H ATOM 377 N MET A 54 33.288 14.839 -4.845 1.00 18.49 N ATOM 378 CA MET A 54 32.938 14.867 -3.421 1.00 19.30 C ATOM 379 C MET A 54 31.850 13.848 -3.173 1.00 18.80 C ATOM 380 O MET A 54 30.845 13.864 -3.911 1.00 18.33 O ATOM 381 CB MET A 54 32.454 16.244 -3.006 1.00 21.66 C ATOM 382 CG MET A 54 33.353 17.389 -3.417 1.00 23.32 C ATOM 383 SD MET A 54 32.787 18.978 -2.807 1.00 29.11 S ATOM 384 CE MET A 54 32.295 19.914 -4.259 1.00 25.14 C ATOM 385 H MET A 54 32.980 15.622 -5.457 1.00 0.00 H ATOM 386 N ILE A 55 32.019 12.970 -2.172 1.00 17.89 N ATOM 387 CA ILE A 55 31.037 11.980 -1.753 1.00 19.19 C ATOM 388 C ILE A 55 30.169 12.560 -0.637 1.00 18.53 C ATOM 389 O ILE A 55 30.682 13.290 0.242 1.00 20.33 O ATOM 390 CB ILE A 55 31.708 10.704 -1.188 1.00 21.24 C ATOM 391 CG1 ILE A 55 30.694 9.622 -0.857 1.00 22.92 C ATOM 392 CG2 ILE A 55 32.468 10.983 0.139 1.00 25.13 C ATOM 393 CD1 ILE A 55 31.305 8.277 -0.631 1.00 26.62 C ATOM 394 H ILE A 55 32.921 12.999 -1.656 1.00 0.00 H ATOM 395 N PHE A 56 28.855 12.373 -0.768 1.00 16.52 N ATOM 396 CA PHE A 56 27.914 12.919 0.245 1.00 16.49 C ATOM 397 C PHE A 56 27.035 11.752 0.683 1.00 17.28 C ATOM 398 O PHE A 56 26.557 10.976 -0.161 1.00 17.54 O ATOM 399 CB PHE A 56 27.039 14.009 -0.333 1.00 16.87 C ATOM 400 CG PHE A 56 27.743 15.186 -0.915 1.00 16.83 C ATOM 401 CD1 PHE A 56 28.189 16.215 -0.097 1.00 18.33 C ATOM 402 CD2 PHE A 56 28.036 15.283 -2.257 1.00 18.32 C ATOM 403 CE1 PHE A 56 28.818 17.342 -0.641 1.00 18.36 C ATOM 404 CE2 PHE A 56 28.644 16.418 -2.793 1.00 18.56 C ATOM 405 CZ PHE A 56 29.037 17.436 -2.010 1.00 19.27 C ATOM 406 H PHE A 56 28.487 11.842 -1.583 1.00 0.00 H ATOM 407 N ARG A 57 26.803 11.655 2.005 1.00 16.09 N ATOM 408 CA ARG A 57 25.839 10.755 2.556 1.00 17.48 C ATOM 409 C ARG A 57 24.647 11.686 2.698 1.00 15.20 C ATOM 410 O ARG A 57 24.528 12.506 3.646 1.00 15.88 O ATOM 411 CB ARG A 57 26.273 10.259 3.925 1.00 19.91 C ATOM 412 CG ARG A 57 25.326 9.297 4.593 1.00 24.76 C ATOM 413 CD ARG A 57 25.563 9.071 6.090 1.00 28.33 C ATOM 414 NE ARG A 57 26.819 8.374 6.318 1.00 32.52 N ATOM 415 CZ ARG A 57 26.929 7.115 6.748 1.00 33.97 C ATOM 416 NH1 ARG A 57 25.826 6.373 7.017 1.00 36.20 N ATOM 417 NH2 ARG A 57 28.153 6.570 6.913 1.00 34.08 N ATOM 418 HE ARG A 57 27.699 8.896 6.132 1.00 0.00 H ATOM 419 HH12 ARG A 57 25.927 5.393 7.351 1.00 0.00 H ATOM 420 HH11 ARG A 57 24.879 6.784 6.889 1.00 0.00 H ATOM 421 HH22 ARG A 57 28.245 5.590 7.248 1.00 0.00 H ATOM 422 HH21 ARG A 57 29.004 7.131 6.705 1.00 0.00 H ATOM 423 H ARG A 57 27.348 12.260 2.652 1.00 0.00 H ATOM 424 N VAL A 58 23.725 11.515 1.801 1.00 14.78 N ATOM 425 CA VAL A 58 22.505 12.403 1.726 1.00 13.89 C ATOM 426 C VAL A 58 21.348 11.669 2.412 1.00 14.41 C ATOM 427 O VAL A 58 21.066 10.508 2.097 1.00 16.01 O ATOM 428 CB VAL A 58 22.174 12.686 0.288 1.00 14.73 C ATOM 429 CG1 VAL A 58 20.847 13.426 0.138 1.00 14.69 C ATOM 430 CG2 VAL A 58 23.263 13.509 -0.327 1.00 15.55 C ATOM 431 H VAL A 58 23.829 10.743 1.112 1.00 0.00 H ATOM 432 N TRP A 59 20.730 12.371 3.327 1.00 12.93 N ATOM 433 CA TRP A 59 19.466 11.911 3.930 1.00 13.73 C ATOM 434 C TRP A 59 18.345 12.725 3.329 1.00 13.64 C ATOM 435 O TRP A 59 18.401 13.952 3.267 1.00 13.20 O ATOM 436 CB TRP A 59 19.505 12.084 5.440 1.00 14.87 C ATOM 437 CG TRP A 59 20.304 10.961 6.115 1.00 17.65 C ATOM 438 CD1 TRP A 59 21.095 10.027 5.496 1.00 19.20 C ATOM 439 CD2 TRP A 59 20.268 10.585 7.475 1.00 19.39 C ATOM 440 NE1 TRP A 59 21.599 9.133 6.430 1.00 20.39 N ATOM 441 CE2 TRP A 59 21.086 9.452 7.632 1.00 19.98 C ATOM 442 CE3 TRP A 59 19.624 11.112 8.585 1.00 21.03 C ATOM 443 CZ2 TRP A 59 21.273 8.830 8.865 1.00 21.57 C ATOM 444 CZ3 TRP A 59 19.864 10.527 9.829 1.00 23.72 C ATOM 445 CH2 TRP A 59 20.684 9.399 9.947 1.00 23.97 C ATOM 446 HE1 TRP A 59 22.258 8.353 6.235 1.00 0.00 H ATOM 447 H TRP A 59 21.140 13.275 3.636 1.00 0.00 H ATOM 448 N CYS A 60 17.321 12.013 2.900 1.00 13.59 N ATOM 449 CA CYS A 60 16.164 12.655 2.289 1.00 13.94 C ATOM 450 C CYS A 60 15.096 12.942 3.318 1.00 13.45 C ATOM 451 O CYS A 60 14.804 12.093 4.163 1.00 13.35 O ATOM 452 CB CYS A 60 15.595 11.722 1.245 1.00 14.30 C ATOM 453 SG CYS A 60 16.754 11.364 -0.106 1.00 16.55 S ATOM 454 H CYS A 60 17.339 10.978 2.999 1.00 0.00 H ATOM 455 N PHE A 61 14.549 14.135 3.260 1.00 11.71 N ATOM 456 CA PHE A 61 13.516 14.629 4.171 1.00 12.87 C ATOM 457 C PHE A 61 12.374 15.179 3.358 1.00 12.49 C ATOM 458 O PHE A 61 12.555 15.813 2.295 1.00 13.83 O ATOM 459 CB PHE A 61 14.088 15.748 5.052 1.00 13.06 C ATOM 460 CG PHE A 61 15.097 15.303 6.049 1.00 13.48 C ATOM 461 CD1 PHE A 61 16.430 15.255 5.718 1.00 13.41 C ATOM 462 CD2 PHE A 61 14.768 14.993 7.352 1.00 13.31 C ATOM 463 CE1 PHE A 61 17.414 14.945 6.648 1.00 13.93 C ATOM 464 CE2 PHE A 61 15.728 14.646 8.288 1.00 13.90 C ATOM 465 CZ PHE A 61 17.071 14.641 7.936 1.00 13.45 C ATOM 466 H PHE A 61 14.875 14.777 2.510 1.00 0.00 H ATOM 467 N SER A 62 11.149 14.920 3.858 1.00 13.07 N ATOM 468 CA SER A 62 9.984 15.495 3.175 1.00 14.04 C ATOM 469 C SER A 62 9.893 16.986 3.347 1.00 14.79 C ATOM 470 O SER A 62 9.311 17.688 2.482 1.00 16.25 O ATOM 471 CB SER A 62 8.720 14.840 3.696 1.00 14.43 C ATOM 472 OG SER A 62 8.720 13.492 3.345 1.00 15.17 O ATOM 473 HG SER A 62 7.895 13.064 3.685 1.00 0.00 H ATOM 474 H SER A 62 11.033 14.328 4.705 1.00 0.00 H ATOM 475 N LEU A 63 10.427 17.493 4.465 1.00 14.63 N ATOM 476 CA LEU A 63 10.281 18.844 4.896 1.00 14.70 C ATOM 477 C LEU A 63 11.569 19.271 5.581 1.00 13.86 C ATOM 478 O LEU A 63 12.234 18.450 6.189 1.00 14.91 O ATOM 479 CB LEU A 63 9.113 18.734 5.851 1.00 16.23 C ATOM 480 CG LEU A 63 8.556 19.878 6.561 1.00 16.90 C ATOM 481 CD1 LEU A 63 8.260 20.827 5.455 1.00 16.91 C ATOM 482 CD2 LEU A 63 7.326 19.458 7.371 1.00 17.34 C ATOM 483 H LEU A 63 10.990 16.855 5.063 1.00 0.00 H ATOM 484 N ALA A 64 11.810 20.542 5.509 1.00 13.43 N ATOM 485 CA ALA A 64 12.924 21.198 6.249 1.00 13.35 C ATOM 486 C ALA A 64 12.593 22.643 6.358 1.00 13.84 C ATOM 487 O ALA A 64 11.676 23.161 5.683 1.00 15.40 O ATOM 488 CB ALA A 64 14.229 21.004 5.517 1.00 12.90 C ATOM 489 H ALA A 64 11.198 21.130 4.908 1.00 0.00 H ATOM 490 N GLN A 65 13.253 23.308 7.257 1.00 13.16 N ATOM 491 CA GLN A 65 13.114 24.726 7.529 1.00 13.99 C ATOM 492 C GLN A 65 14.456 25.344 7.761 1.00 13.24 C ATOM 493 O GLN A 65 15.436 24.629 7.876 1.00 12.48 O ATOM 494 CB GLN A 65 12.241 24.948 8.805 1.00 16.27 C ATOM 495 CG GLN A 65 12.819 24.273 10.043 1.00 18.63 C ATOM 496 CD GLN A 65 11.976 24.414 11.283 1.00 21.26 C ATOM 497 OE1 GLN A 65 11.128 23.578 11.484 1.00 28.24 O ATOM 498 NE2 GLN A 65 12.308 25.329 12.141 1.00 26.26 N ATOM 499 HE22 GLN A 65 13.048 26.020 11.904 1.00 0.00 H ATOM 500 HE21 GLN A 65 11.834 25.371 13.066 1.00 0.00 H ATOM 501 H GLN A 65 13.940 22.779 7.831 1.00 0.00 H ATOM 502 N GLY A 66 14.515 26.658 7.872 1.00 12.96 N ATOM 503 CA GLY A 66 15.738 27.302 8.264 1.00 12.79 C ATOM 504 C GLY A 66 16.775 27.377 7.215 1.00 12.72 C ATOM 505 O GLY A 66 17.931 27.758 7.517 1.00 13.07 O ATOM 506 H GLY A 66 13.670 27.231 7.674 1.00 0.00 H ATOM 507 N LEU A 67 16.471 26.999 5.985 1.00 12.46 N ATOM 508 CA LEU A 67 17.393 27.011 4.874 1.00 13.10 C ATOM 509 C LEU A 67 17.172 28.242 4.058 1.00 14.27 C ATOM 510 O LEU A 67 16.182 28.963 4.224 1.00 15.41 O ATOM 511 CB LEU A 67 17.200 25.760 3.987 1.00 12.50 C ATOM 512 CG LEU A 67 17.463 24.459 4.730 1.00 12.69 C ATOM 513 CD1 LEU A 67 16.834 23.300 3.977 1.00 13.29 C ATOM 514 CD2 LEU A 67 18.954 24.211 4.946 1.00 13.19 C ATOM 515 H LEU A 67 15.501 26.670 5.805 1.00 0.00 H ATOM 516 N ARG A 68 18.077 28.503 3.131 1.00 13.87 N ATOM 517 CA ARG A 68 17.900 29.467 2.046 1.00 15.15 C ATOM 518 C ARG A 68 18.216 28.751 0.786 1.00 14.82 C ATOM 519 O ARG A 68 19.312 28.213 0.611 1.00 13.75 O ATOM 520 CB ARG A 68 18.851 30.630 2.239 1.00 17.44 C ATOM 521 CG ARG A 68 18.813 31.764 1.322 1.00 23.38 C ATOM 522 CD ARG A 68 19.516 33.013 1.894 1.00 27.11 C ATOM 523 NE ARG A 68 20.928 33.103 1.521 1.00 29.58 N ATOM 524 CZ ARG A 68 22.026 32.738 2.186 1.00 34.82 C ATOM 525 NH1 ARG A 68 23.182 32.951 1.538 1.00 38.66 N ATOM 526 NH2 ARG A 68 22.094 32.183 3.443 1.00 36.10 N ATOM 527 HE ARG A 68 21.105 33.519 0.585 1.00 0.00 H ATOM 528 HH12 ARG A 68 24.085 32.694 1.987 1.00 0.00 H ATOM 529 HH11 ARG A 68 23.175 33.373 0.587 1.00 0.00 H ATOM 530 HH22 ARG A 68 23.018 31.940 3.855 1.00 0.00 H ATOM 531 HH21 ARG A 68 21.222 32.006 3.981 1.00 0.00 H ATOM 532 H ARG A 68 18.978 27.986 3.176 1.00 0.00 H ATOM 533 N LEU A 69 17.244 28.726 -0.143 1.00 15.61 N ATOM 534 CA LEU A 69 17.378 28.025 -1.404 1.00 17.38 C ATOM 535 C LEU A 69 17.881 29.012 -2.422 1.00 17.70 C ATOM 536 O LEU A 69 17.267 30.110 -2.589 1.00 19.82 O ATOM 537 CB LEU A 69 16.019 27.416 -1.762 1.00 16.85 C ATOM 538 CG LEU A 69 15.380 26.554 -0.693 1.00 18.42 C ATOM 539 CD1 LEU A 69 14.069 25.935 -1.126 1.00 20.38 C ATOM 540 CD2 LEU A 69 16.336 25.450 -0.264 1.00 18.57 C ATOM 541 H LEU A 69 16.357 29.232 0.052 1.00 0.00 H ATOM 542 N ILE A 70 18.980 28.690 -3.101 1.00 19.25 N ATOM 543 CA ILE A 70 19.711 29.603 -3.911 1.00 21.38 C ATOM 544 C ILE A 70 19.443 29.374 -5.387 1.00 22.05 C ATOM 545 O ILE A 70 19.621 28.271 -5.879 1.00 23.13 O ATOM 546 CB ILE A 70 21.223 29.468 -3.711 1.00 23.05 C ATOM 547 CG1 ILE A 70 21.599 29.540 -2.216 1.00 24.54 C ATOM 548 CG2 ILE A 70 22.018 30.478 -4.529 1.00 25.12 C ATOM 549 CD1 ILE A 70 21.059 30.728 -1.555 1.00 24.57 C ATOM 550 H ILE A 70 19.325 27.711 -3.035 1.00 0.00 H ATOM 551 N GLY A 71 19.044 30.437 -6.084 1.00 21.78 N ATOM 552 CA GLY A 71 18.923 30.348 -7.525 1.00 23.06 C ATOM 553 C GLY A 71 17.729 29.613 -8.010 1.00 23.31 C ATOM 554 O GLY A 71 16.759 29.363 -7.298 1.00 24.54 O ATOM 555 H GLY A 71 18.820 31.327 -5.595 1.00 0.00 H ATOM 556 N ALA A 72 17.773 29.318 -9.303 1.00 23.72 N ATOM 557 CA ALA A 72 16.739 28.578 -10.010 1.00 23.01 C ATOM 558 C ALA A 72 17.164 27.085 -10.166 1.00 19.91 C ATOM 559 O ALA A 72 18.353 26.781 -10.162 1.00 21.80 O ATOM 560 CB ALA A 72 16.534 29.180 -11.384 1.00 23.77 C ATOM 561 H ALA A 72 18.601 29.637 -9.846 1.00 0.00 H ATOM 562 N PRO A 73 16.202 26.197 -10.326 1.00 20.04 N ATOM 563 CA PRO A 73 16.483 24.780 -10.381 1.00 18.83 C ATOM 564 C PRO A 73 17.260 24.370 -11.580 1.00 19.00 C ATOM 565 O PRO A 73 17.115 24.956 -12.647 1.00 21.06 O ATOM 566 CB PRO A 73 15.113 24.129 -10.392 1.00 19.83 C ATOM 567 CG PRO A 73 14.143 25.146 -9.965 1.00 20.35 C ATOM 568 CD PRO A 73 14.749 26.431 -10.336 1.00 20.94 C ATOM 569 N SER A 74 18.031 23.318 -11.478 1.00 16.50 N ATOM 570 CA SER A 74 18.763 22.698 -12.538 1.00 16.28 C ATOM 571 C SER A 74 18.607 21.227 -12.556 1.00 15.63 C ATOM 572 O SER A 74 18.653 20.607 -11.490 1.00 15.77 O ATOM 573 CB SER A 74 20.244 23.003 -12.395 1.00 17.74 C ATOM 574 OG SER A 74 20.942 22.413 -13.491 1.00 18.61 O ATOM 575 HG SER A 74 21.909 22.606 -13.407 1.00 0.00 H ATOM 576 H SER A 74 18.120 22.891 -10.534 1.00 0.00 H ATOM 577 N GLY A 75 18.438 20.575 -13.712 1.00 15.16 N ATOM 578 CA GLY A 75 18.459 19.141 -13.781 1.00 14.61 C ATOM 579 C GLY A 75 19.833 18.524 -13.942 1.00 15.85 C ATOM 580 O GLY A 75 19.961 17.315 -13.916 1.00 16.76 O ATOM 581 H GLY A 75 18.287 21.121 -14.584 1.00 0.00 H ATOM 582 N GLU A 76 20.837 19.338 -14.175 1.00 17.82 N ATOM 583 CA GLU A 76 22.176 18.849 -14.494 1.00 20.04 C ATOM 584 C GLU A 76 22.724 17.941 -13.384 1.00 18.05 C ATOM 585 O GLU A 76 22.734 18.328 -12.221 1.00 18.71 O ATOM 586 CB GLU A 76 23.126 19.990 -14.761 1.00 24.22 C ATOM 587 CG GLU A 76 24.289 19.623 -15.687 1.00 30.53 C ATOM 588 CD GLU A 76 25.098 20.863 -16.090 1.00 35.12 C ATOM 589 OE1 GLU A 76 26.141 20.670 -16.758 1.00 39.61 O ATOM 590 OE2 GLU A 76 24.609 22.010 -15.783 1.00 41.16 O ATOM 591 H GLU A 76 20.673 20.364 -14.131 1.00 0.00 H ATOM 592 N PHE A 77 23.184 16.757 -13.711 1.00 18.69 N ATOM 593 CA PHE A 77 23.826 15.844 -12.783 1.00 18.88 C ATOM 594 C PHE A 77 22.875 15.415 -11.650 1.00 17.87 C ATOM 595 O PHE A 77 23.367 14.933 -10.636 1.00 16.76 O ATOM 596 CB PHE A 77 25.125 16.423 -12.159 1.00 21.07 C ATOM 597 CG PHE A 77 26.105 16.973 -13.177 1.00 23.01 C ATOM 598 CD1 PHE A 77 26.694 16.156 -14.076 1.00 25.94 C ATOM 599 CD2 PHE A 77 26.385 18.306 -13.205 1.00 25.18 C ATOM 600 CE1 PHE A 77 27.644 16.639 -14.988 1.00 26.75 C ATOM 601 CE2 PHE A 77 27.333 18.828 -14.087 1.00 27.40 C ATOM 602 CZ PHE A 77 27.911 18.003 -14.994 1.00 26.77 C ATOM 603 H PHE A 77 23.082 16.452 -14.700 1.00 0.00 H ATOM 604 N SER A 78 21.556 15.551 -11.765 1.00 16.22 N ATOM 605 CA SER A 78 20.700 15.244 -10.662 1.00 15.39 C ATOM 606 C SER A 78 20.813 13.785 -10.236 1.00 15.95 C ATOM 607 O SER A 78 20.786 12.853 -11.045 1.00 16.85 O ATOM 608 CB SER A 78 19.232 15.483 -11.014 1.00 15.43 C ATOM 609 OG SER A 78 18.468 15.225 -9.850 1.00 15.09 O ATOM 610 HG SER A 78 17.509 15.372 -10.047 1.00 0.00 H ATOM 611 H SER A 78 21.146 15.882 -12.662 1.00 0.00 H ATOM 612 N TRP A 79 20.950 13.575 -8.935 1.00 15.87 N ATOM 613 CA TRP A 79 21.033 12.265 -8.349 1.00 15.53 C ATOM 614 C TRP A 79 19.693 11.541 -8.261 1.00 17.19 C ATOM 615 O TRP A 79 19.626 10.343 -7.862 1.00 17.46 O ATOM 616 CB TRP A 79 21.681 12.352 -7.002 1.00 15.98 C ATOM 617 CG TRP A 79 23.075 12.830 -6.999 1.00 15.37 C ATOM 618 CD1 TRP A 79 24.123 12.381 -7.750 1.00 16.11 C ATOM 619 CD2 TRP A 79 23.600 13.809 -6.099 1.00 14.43 C ATOM 620 NE1 TRP A 79 25.265 13.065 -7.401 1.00 16.07 N ATOM 621 CE2 TRP A 79 24.967 13.937 -6.380 1.00 14.77 C ATOM 622 CE3 TRP A 79 23.059 14.564 -5.038 1.00 14.78 C ATOM 623 CZ2 TRP A 79 25.766 14.821 -5.684 1.00 14.70 C ATOM 624 CZ3 TRP A 79 23.850 15.449 -4.401 1.00 14.50 C ATOM 625 CH2 TRP A 79 25.202 15.545 -4.684 1.00 15.20 C ATOM 626 HE1 TRP A 79 26.201 12.943 -7.838 1.00 0.00 H ATOM 627 H TRP A 79 21.000 14.401 -8.305 1.00 0.00 H ATOM 628 N PHE A 80 18.599 12.240 -8.536 1.00 14.83 N ATOM 629 CA PHE A 80 17.272 11.701 -8.337 1.00 15.26 C ATOM 630 C PHE A 80 16.518 11.918 -9.630 1.00 15.05 C ATOM 631 O PHE A 80 16.252 13.054 -10.026 1.00 15.05 O ATOM 632 CB PHE A 80 16.569 12.379 -7.134 1.00 15.15 C ATOM 633 CG PHE A 80 17.288 12.159 -5.831 1.00 15.69 C ATOM 634 CD1 PHE A 80 16.990 11.022 -5.074 1.00 16.29 C ATOM 635 CD2 PHE A 80 18.166 13.020 -5.357 1.00 15.26 C ATOM 636 CE1 PHE A 80 17.608 10.816 -3.831 1.00 17.56 C ATOM 637 CE2 PHE A 80 18.829 12.821 -4.134 1.00 16.37 C ATOM 638 CZ PHE A 80 18.555 11.694 -3.394 1.00 16.47 C ATOM 639 H PHE A 80 18.699 13.207 -8.907 1.00 0.00 H ATOM 640 N LYS A 81 16.157 10.796 -10.271 1.00 17.13 N ATOM 641 CA LYS A 81 15.558 10.879 -11.586 1.00 17.57 C ATOM 642 C LYS A 81 14.245 11.649 -11.548 1.00 15.86 C ATOM 643 O LYS A 81 13.387 11.439 -10.733 1.00 16.41 O ATOM 644 CB LYS A 81 15.294 9.442 -12.091 1.00 21.46 C ATOM 645 CG LYS A 81 14.652 9.371 -13.454 1.00 26.26 C ATOM 646 CD LYS A 81 14.423 7.943 -13.907 1.00 30.49 C ATOM 647 CE LYS A 81 13.948 7.996 -15.343 1.00 33.70 C ATOM 648 NZ LYS A 81 15.104 8.335 -16.236 1.00 38.03 N ATOM 649 HZ1 LYS A 81 15.492 9.261 -15.963 1.00 0.00 H ATOM 650 HZ2 LYS A 81 15.840 7.607 -16.139 1.00 0.00 H ATOM 651 HZ3 LYS A 81 14.779 8.372 -17.223 1.00 0.00 H ATOM 652 H LYS A 81 16.307 9.869 -9.824 1.00 0.00 H ATOM 653 N GLY A 82 14.162 12.606 -12.497 1.00 15.16 N ATOM 654 CA GLY A 82 12.979 13.412 -12.628 1.00 14.70 C ATOM 655 C GLY A 82 12.910 14.659 -11.780 1.00 13.81 C ATOM 656 O GLY A 82 12.005 15.445 -11.840 1.00 14.92 O ATOM 657 H GLY A 82 14.964 12.762 -13.141 1.00 0.00 H ATOM 658 N TYR A 83 13.975 14.902 -10.978 1.00 13.60 N ATOM 659 CA TYR A 83 14.026 16.074 -10.120 1.00 12.86 C ATOM 660 C TYR A 83 15.118 17.015 -10.519 1.00 12.38 C ATOM 661 O TYR A 83 16.186 16.604 -10.933 1.00 14.39 O ATOM 662 CB TYR A 83 14.251 15.680 -8.645 1.00 12.59 C ATOM 663 CG TYR A 83 13.191 14.874 -8.032 1.00 11.96 C ATOM 664 CD1 TYR A 83 12.091 15.458 -7.419 1.00 12.77 C ATOM 665 CD2 TYR A 83 13.247 13.501 -8.056 1.00 12.74 C ATOM 666 CE1 TYR A 83 11.102 14.676 -6.844 1.00 12.93 C ATOM 667 CE2 TYR A 83 12.261 12.723 -7.487 1.00 13.01 C ATOM 668 CZ TYR A 83 11.182 13.335 -6.932 1.00 12.55 C ATOM 669 OH TYR A 83 10.224 12.492 -6.379 1.00 15.26 O ATOM 670 HH TYR A 83 9.485 13.035 -6.004 1.00 0.00 H ATOM 671 H TYR A 83 14.773 14.235 -10.976 1.00 0.00 H ATOM 672 N ASP A 84 14.822 18.289 -10.340 1.00 13.12 N ATOM 673 CA ASP A 84 15.748 19.363 -10.548 1.00 13.74 C ATOM 674 C ASP A 84 16.122 19.861 -9.175 1.00 14.11 C ATOM 675 O ASP A 84 15.324 19.752 -8.282 1.00 15.53 O ATOM 676 CB ASP A 84 15.099 20.447 -11.398 1.00 15.28 C ATOM 677 CG ASP A 84 14.430 19.823 -12.654 1.00 17.66 C ATOM 678 OD1 ASP A 84 15.268 19.201 -13.386 1.00 19.81 O ATOM 679 OD2 ASP A 84 13.138 19.865 -12.766 1.00 21.40 O ATOM 680 H ASP A 84 13.859 18.528 -10.029 1.00 0.00 H ATOM 681 N TRP A 85 17.297 20.425 -9.043 1.00 13.54 N ATOM 682 CA TRP A 85 17.808 20.816 -7.662 1.00 13.63 C ATOM 683 C TRP A 85 18.150 22.271 -7.601 1.00 13.92 C ATOM 684 O TRP A 85 18.559 22.905 -8.590 1.00 14.41 O ATOM 685 CB TRP A 85 19.006 19.985 -7.311 1.00 14.56 C ATOM 686 CG TRP A 85 20.107 19.948 -8.259 1.00 14.82 C ATOM 687 CD1 TRP A 85 20.290 19.019 -9.235 1.00 16.36 C ATOM 688 CD2 TRP A 85 21.164 20.917 -8.446 1.00 16.20 C ATOM 689 NE1 TRP A 85 21.371 19.328 -9.965 1.00 16.68 N ATOM 690 CE2 TRP A 85 21.915 20.511 -9.546 1.00 16.72 C ATOM 691 CE3 TRP A 85 21.567 22.085 -7.757 1.00 16.68 C ATOM 692 CZ2 TRP A 85 23.004 21.221 -9.992 1.00 17.70 C ATOM 693 CZ3 TRP A 85 22.641 22.792 -8.216 1.00 17.62 C ATOM 694 CH2 TRP A 85 23.377 22.347 -9.299 1.00 18.06 C ATOM 695 HE1 TRP A 85 21.745 18.748 -10.743 1.00 0.00 H ATOM 696 H TRP A 85 17.883 20.606 -9.883 1.00 0.00 H ATOM 697 N THR A 86 18.089 22.776 -6.363 1.00 14.17 N ATOM 698 CA THR A 86 18.621 24.085 -5.969 1.00 14.81 C ATOM 699 C THR A 86 19.493 23.833 -4.727 1.00 14.68 C ATOM 700 O THR A 86 19.189 23.010 -3.902 1.00 15.43 O ATOM 701 CB THR A 86 17.585 25.118 -5.637 1.00 16.01 C ATOM 702 OG1 THR A 86 16.729 24.693 -4.598 1.00 17.78 O ATOM 703 CG2 THR A 86 16.774 25.499 -6.874 1.00 16.88 C ATOM 704 HG1 THR A 86 16.063 25.401 -4.411 1.00 0.00 H ATOM 705 H THR A 86 17.632 22.199 -5.628 1.00 0.00 H ATOM 706 N ILE A 87 20.570 24.542 -4.653 1.00 13.67 N ATOM 707 CA ILE A 87 21.453 24.486 -3.443 1.00 13.41 C ATOM 708 C ILE A 87 20.669 25.023 -2.273 1.00 12.79 C ATOM 709 O ILE A 87 19.972 26.072 -2.349 1.00 13.96 O ATOM 710 CB ILE A 87 22.698 25.324 -3.720 1.00 15.13 C ATOM 711 CG1 ILE A 87 23.609 24.586 -4.666 1.00 17.06 C ATOM 712 CG2 ILE A 87 23.428 25.646 -2.426 1.00 15.93 C ATOM 713 CD1 ILE A 87 24.747 25.446 -5.278 1.00 19.66 C ATOM 714 H ILE A 87 20.829 25.162 -5.446 1.00 0.00 H ATOM 715 N ALA A 88 20.820 24.312 -1.133 1.00 11.59 N ATOM 716 CA ALA A 88 20.216 24.713 0.137 1.00 11.89 C ATOM 717 C ALA A 88 21.309 25.048 1.128 1.00 11.30 C ATOM 718 O ALA A 88 22.138 24.206 1.494 1.00 12.23 O ATOM 719 CB ALA A 88 19.329 23.627 0.671 1.00 11.86 C ATOM 720 H ALA A 88 21.390 23.443 -1.160 1.00 0.00 H ATOM 721 N LEU A 89 21.365 26.312 1.507 1.00 11.34 N ATOM 722 CA LEU A 89 22.296 26.787 2.538 1.00 11.47 C ATOM 723 C LEU A 89 21.563 26.896 3.845 1.00 11.76 C ATOM 724 O LEU A 89 20.342 27.168 3.870 1.00 12.26 O ATOM 725 CB LEU A 89 22.853 28.130 2.179 1.00 12.53 C ATOM 726 CG LEU A 89 23.534 28.226 0.809 1.00 13.38 C ATOM 727 CD1 LEU A 89 24.088 29.632 0.644 1.00 15.16 C ATOM 728 CD2 LEU A 89 24.631 27.179 0.632 1.00 13.35 C ATOM 729 H LEU A 89 20.725 26.997 1.058 1.00 0.00 H ATOM 730 N CYS A 90 22.276 26.765 4.949 1.00 10.66 N ATOM 731 CA CYS A 90 21.725 27.212 6.227 1.00 11.15 C ATOM 732 C CYS A 90 21.378 28.684 6.100 1.00 11.35 C ATOM 733 O CYS A 90 22.204 29.527 5.687 1.00 12.70 O ATOM 734 CB CYS A 90 22.774 27.043 7.298 1.00 10.86 C ATOM 735 SG CYS A 90 22.208 27.629 8.931 1.00 11.52 S ATOM 736 H CYS A 90 23.227 26.345 4.909 1.00 0.00 H ATOM 737 N GLY A 91 20.118 29.022 6.428 1.00 11.99 N ATOM 738 CA GLY A 91 19.683 30.384 6.301 1.00 12.32 C ATOM 739 C GLY A 91 20.281 31.307 7.332 1.00 12.92 C ATOM 740 O GLY A 91 20.207 32.515 7.132 1.00 15.31 O ATOM 741 H GLY A 91 19.459 28.296 6.774 1.00 0.00 H ATOM 742 N GLN A 92 20.851 30.764 8.369 1.00 11.98 N ATOM 743 CA GLN A 92 21.484 31.568 9.412 1.00 12.35 C ATOM 744 C GLN A 92 22.953 31.825 9.068 1.00 12.87 C ATOM 745 O GLN A 92 23.348 32.960 8.903 1.00 13.76 O ATOM 746 CB GLN A 92 21.227 30.898 10.763 1.00 12.60 C ATOM 747 CG GLN A 92 21.824 31.666 11.939 1.00 12.09 C ATOM 748 CD GLN A 92 21.189 31.211 13.250 1.00 12.24 C ATOM 749 OE1 GLN A 92 20.231 31.848 13.680 1.00 13.50 O ATOM 750 NE2 GLN A 92 21.620 30.107 13.820 1.00 11.95 N ATOM 751 HE22 GLN A 92 22.436 29.600 13.421 1.00 0.00 H ATOM 752 HE21 GLN A 92 21.145 29.741 14.670 1.00 0.00 H ATOM 753 H GLN A 92 20.856 29.728 8.458 1.00 0.00 H ATOM 754 N CYS A 93 23.728 30.761 8.884 1.00 11.98 N ATOM 755 CA CYS A 93 25.209 30.898 8.776 1.00 12.32 C ATOM 756 C CYS A 93 25.739 30.700 7.365 1.00 12.86 C ATOM 757 O CYS A 93 26.913 30.959 7.135 1.00 14.97 O ATOM 758 CB CYS A 93 25.915 29.991 9.722 1.00 12.75 C ATOM 759 SG CYS A 93 26.020 28.247 9.185 1.00 12.28 S ATOM 760 H CYS A 93 23.295 29.818 8.814 1.00 0.00 H ATOM 761 N GLY A 94 24.932 30.188 6.426 1.00 12.38 N ATOM 762 CA GLY A 94 25.386 29.971 5.073 1.00 12.54 C ATOM 763 C GLY A 94 26.061 28.673 4.785 1.00 12.88 C ATOM 764 O GLY A 94 26.427 28.437 3.619 1.00 13.87 O ATOM 765 H GLY A 94 23.954 29.941 6.678 1.00 0.00 H ATOM 766 N SER A 95 26.234 27.789 5.739 1.00 12.27 N ATOM 767 CA SER A 95 26.813 26.452 5.528 1.00 12.13 C ATOM 768 C SER A 95 26.006 25.740 4.451 1.00 11.91 C ATOM 769 O SER A 95 24.780 25.775 4.443 1.00 12.27 O ATOM 770 CB SER A 95 26.752 25.642 6.830 1.00 13.40 C ATOM 771 OG SER A 95 27.221 24.344 6.696 1.00 14.87 O ATOM 772 HG SER A 95 28.166 24.365 6.403 1.00 0.00 H ATOM 773 H SER A 95 25.944 28.049 6.703 1.00 0.00 H ATOM 774 N HIS A 96 26.698 25.041 3.559 1.00 11.81 N ATOM 775 CA HIS A 96 25.992 24.283 2.529 1.00 11.71 C ATOM 776 C HIS A 96 25.477 22.995 3.161 1.00 11.64 C ATOM 777 O HIS A 96 26.230 22.077 3.441 1.00 12.99 O ATOM 778 CB HIS A 96 26.901 24.004 1.345 1.00 12.42 C ATOM 779 CG HIS A 96 26.228 23.169 0.336 1.00 13.29 C ATOM 780 ND1 HIS A 96 26.951 22.364 -0.513 1.00 15.74 N ATOM 781 CD2 HIS A 96 24.920 23.025 0.001 1.00 13.63 C ATOM 782 CE1 HIS A 96 26.085 21.715 -1.291 1.00 14.86 C ATOM 783 NE2 HIS A 96 24.856 22.097 -1.005 1.00 14.12 N ATOM 784 H HIS A 96 27.737 25.033 3.593 1.00 0.00 H ATOM 785 N LEU A 97 24.156 22.886 3.367 1.00 10.46 N ATOM 786 CA LEU A 97 23.551 21.754 4.006 1.00 10.69 C ATOM 787 C LEU A 97 22.989 20.694 3.091 1.00 10.54 C ATOM 788 O LEU A 97 22.777 19.594 3.512 1.00 12.13 O ATOM 789 CB LEU A 97 22.464 22.204 4.973 1.00 10.85 C ATOM 790 CG LEU A 97 22.991 23.059 6.139 1.00 11.73 C ATOM 791 CD1 LEU A 97 21.879 23.327 7.135 1.00 12.13 C ATOM 792 CD2 LEU A 97 24.196 22.461 6.872 1.00 12.66 C ATOM 793 H LEU A 97 23.540 23.661 3.047 1.00 0.00 H ATOM 794 N GLY A 98 22.730 21.056 1.825 1.00 10.98 N ATOM 795 CA GLY A 98 22.245 20.073 0.863 1.00 10.96 C ATOM 796 C GLY A 98 21.581 20.746 -0.298 1.00 10.71 C ATOM 797 O GLY A 98 22.048 21.756 -0.814 1.00 11.29 O ATOM 798 H GLY A 98 22.876 22.042 1.529 1.00 0.00 H ATOM 799 N TRP A 99 20.435 20.170 -0.703 1.00 11.48 N ATOM 800 CA TRP A 99 19.735 20.588 -1.912 1.00 11.36 C ATOM 801 C TRP A 99 18.267 20.416 -1.712 1.00 11.85 C ATOM 802 O TRP A 99 17.821 19.536 -0.976 1.00 11.34 O ATOM 803 CB TRP A 99 20.186 19.758 -3.140 1.00 12.28 C ATOM 804 CG TRP A 99 21.631 19.795 -3.428 1.00 12.64 C ATOM 805 CD1 TRP A 99 22.279 20.674 -4.249 1.00 14.21 C ATOM 806 CD2 TRP A 99 22.680 18.987 -2.818 1.00 13.60 C ATOM 807 NE1 TRP A 99 23.645 20.473 -4.163 1.00 14.40 N ATOM 808 CE2 TRP A 99 23.906 19.460 -3.330 1.00 13.30 C ATOM 809 CE3 TRP A 99 22.693 17.967 -1.866 1.00 13.83 C ATOM 810 CZ2 TRP A 99 25.132 18.874 -2.950 1.00 14.82 C ATOM 811 CZ3 TRP A 99 23.934 17.453 -1.448 1.00 14.81 C ATOM 812 CH2 TRP A 99 25.072 17.900 -1.992 1.00 14.44 C ATOM 813 HE1 TRP A 99 24.363 21.028 -4.671 1.00 0.00 H ATOM 814 H TRP A 99 20.033 19.398 -0.133 1.00 0.00 H ATOM 815 N HIS A 100 17.520 21.262 -2.402 1.00 11.69 N ATOM 816 CA HIS A 100 16.064 21.081 -2.537 1.00 11.95 C ATOM 817 C HIS A 100 15.781 20.540 -3.921 1.00 12.49 C ATOM 818 O HIS A 100 16.295 21.092 -4.904 1.00 13.75 O ATOM 819 CB HIS A 100 15.312 22.366 -2.266 1.00 13.50 C ATOM 820 CG HIS A 100 13.838 22.195 -2.230 1.00 14.56 C ATOM 821 ND1 HIS A 100 12.989 22.845 -3.116 1.00 18.20 N ATOM 822 CD2 HIS A 100 13.060 21.440 -1.441 1.00 15.33 C ATOM 823 CE1 HIS A 100 11.747 22.521 -2.793 1.00 16.91 C ATOM 824 NE2 HIS A 100 11.733 21.671 -1.794 1.00 16.61 N ATOM 825 H HIS A 100 17.973 22.077 -2.862 1.00 0.00 H ATOM 826 N TYR A 101 14.930 19.545 -3.958 1.00 11.50 N ATOM 827 CA TYR A 101 14.552 18.876 -5.264 1.00 11.28 C ATOM 828 C TYR A 101 13.115 19.189 -5.561 1.00 11.67 C ATOM 829 O TYR A 101 12.278 19.191 -4.681 1.00 12.43 O ATOM 830 CB TYR A 101 14.749 17.395 -5.142 1.00 11.47 C ATOM 831 CG TYR A 101 16.223 17.043 -5.096 1.00 11.22 C ATOM 832 CD1 TYR A 101 16.950 16.907 -6.288 1.00 11.74 C ATOM 833 CD2 TYR A 101 16.913 16.931 -3.883 1.00 11.56 C ATOM 834 CE1 TYR A 101 18.314 16.612 -6.251 1.00 12.31 C ATOM 835 CE2 TYR A 101 18.260 16.647 -3.874 1.00 12.03 C ATOM 836 CZ TYR A 101 18.945 16.519 -5.056 1.00 12.12 C ATOM 837 OH TYR A 101 20.314 16.226 -5.030 1.00 13.72 O ATOM 838 HH TYR A 101 20.655 16.167 -5.957 1.00 0.00 H ATOM 839 H TYR A 101 14.504 19.207 -3.071 1.00 0.00 H ATOM 840 N GLU A 102 12.842 19.490 -6.837 1.00 12.53 N ATOM 841 CA GLU A 102 11.477 19.810 -7.279 1.00 13.68 C ATOM 842 C GLU A 102 11.306 19.333 -8.712 1.00 12.80 C ATOM 843 O GLU A 102 12.214 18.879 -9.350 1.00 12.76 O ATOM 844 CB GLU A 102 11.211 21.272 -7.216 1.00 16.36 C ATOM 845 CG GLU A 102 12.107 22.153 -8.070 1.00 20.77 C ATOM 846 CD GLU A 102 11.942 23.663 -7.742 1.00 26.32 C ATOM 847 OE1 GLU A 102 10.965 24.221 -8.263 1.00 28.64 O ATOM 848 OE2 GLU A 102 12.785 24.277 -7.001 1.00 30.70 O ATOM 849 H GLU A 102 13.615 19.498 -7.533 1.00 0.00 H ATOM 850 N GLY A 103 10.068 19.438 -9.158 1.00 12.88 N ATOM 851 CA GLY A 103 9.738 19.166 -10.548 1.00 13.38 C ATOM 852 C GLY A 103 9.479 17.703 -10.834 1.00 13.73 C ATOM 853 O GLY A 103 9.309 17.346 -12.029 1.00 13.73 O ATOM 854 H GLY A 103 9.313 19.721 -8.502 1.00 0.00 H ATOM 855 N GLY A 104 9.482 16.858 -9.815 1.00 13.59 N ATOM 856 CA GLY A 104 9.334 15.409 -9.987 1.00 13.62 C ATOM 857 C GLY A 104 7.951 14.900 -9.635 1.00 14.14 C ATOM 858 O GLY A 104 6.981 15.623 -9.740 1.00 13.54 O ATOM 859 H GLY A 104 9.594 17.237 -8.853 1.00 0.00 H ATOM 860 N SER A 105 7.907 13.622 -9.220 1.00 14.12 N ATOM 861 CA SER A 105 6.621 12.955 -8.996 1.00 14.92 C ATOM 862 C SER A 105 6.697 12.054 -7.765 1.00 15.78 C ATOM 863 O SER A 105 7.648 11.318 -7.603 1.00 16.46 O ATOM 864 CB SER A 105 6.198 12.110 -10.187 1.00 15.82 C ATOM 865 OG SER A 105 6.204 12.863 -11.388 1.00 16.09 O ATOM 866 HG SER A 105 7.117 13.207 -11.556 1.00 0.00 H ATOM 867 H SER A 105 8.793 13.102 -9.057 1.00 0.00 H ATOM 868 N GLN A 106 5.691 12.177 -6.914 1.00 15.75 N ATOM 869 CA GLN A 106 5.474 11.296 -5.730 1.00 17.39 C ATOM 870 C GLN A 106 6.763 11.078 -4.907 1.00 16.90 C ATOM 871 O GLN A 106 7.226 9.962 -4.806 1.00 17.83 O ATOM 872 CB GLN A 106 4.789 9.987 -6.157 1.00 18.83 C ATOM 873 CG GLN A 106 4.194 9.225 -4.974 1.00 21.47 C ATOM 874 CD GLN A 106 3.297 8.066 -5.321 1.00 24.62 C ATOM 875 OE1 GLN A 106 2.989 7.779 -6.448 1.00 27.86 O ATOM 876 NE2 GLN A 106 2.813 7.424 -4.297 1.00 27.55 N ATOM 877 HE22 GLN A 106 3.096 7.693 -3.333 1.00 0.00 H ATOM 878 HE21 GLN A 106 2.143 6.642 -4.443 1.00 0.00 H ATOM 879 H GLN A 106 5.005 12.940 -7.082 1.00 0.00 H ATOM 880 N PRO A 107 7.283 12.136 -4.289 1.00 15.34 N ATOM 881 CA PRO A 107 6.709 13.449 -4.182 1.00 14.66 C ATOM 882 C PRO A 107 7.166 14.404 -5.280 1.00 14.12 C ATOM 883 O PRO A 107 8.158 14.160 -5.938 1.00 13.78 O ATOM 884 CB PRO A 107 7.189 13.924 -2.820 1.00 15.65 C ATOM 885 CG PRO A 107 8.528 13.342 -2.763 1.00 15.63 C ATOM 886 CD PRO A 107 8.441 11.987 -3.364 1.00 15.70 C ATOM 887 N GLN A 108 6.500 15.500 -5.435 1.00 13.61 N ATOM 888 CA GLN A 108 6.953 16.522 -6.344 1.00 13.70 C ATOM 889 C GLN A 108 8.283 17.158 -5.896 1.00 13.25 C ATOM 890 O GLN A 108 9.068 17.544 -6.735 1.00 13.25 O ATOM 891 CB GLN A 108 5.915 17.596 -6.561 1.00 14.56 C ATOM 892 CG GLN A 108 4.671 17.143 -7.347 1.00 15.37 C ATOM 893 CD GLN A 108 3.625 18.179 -7.485 1.00 18.31 C ATOM 894 OE1 GLN A 108 3.267 18.866 -6.530 1.00 21.16 O ATOM 895 NE2 GLN A 108 3.108 18.308 -8.703 1.00 19.63 N ATOM 896 HE22 GLN A 108 3.445 17.702 -9.478 1.00 0.00 H ATOM 897 HE21 GLN A 108 2.366 19.015 -8.881 1.00 0.00 H ATOM 898 H GLN A 108 5.623 15.647 -4.895 1.00 0.00 H ATOM 899 N THR A 109 8.403 17.325 -4.582 1.00 13.49 N ATOM 900 CA THR A 109 9.531 18.003 -3.962 1.00 14.19 C ATOM 901 C THR A 109 10.001 17.273 -2.728 1.00 13.90 C ATOM 902 O THR A 109 9.253 16.565 -2.080 1.00 15.03 O ATOM 903 CB THR A 109 9.167 19.432 -3.556 1.00 16.44 C ATOM 904 OG1 THR A 109 8.291 19.406 -2.424 1.00 18.61 O ATOM 905 CG2 THR A 109 8.546 20.189 -4.703 1.00 16.84 C ATOM 906 HG1 THR A 109 8.744 18.956 -1.668 1.00 0.00 H ATOM 907 H THR A 109 7.652 16.952 -3.966 1.00 0.00 H ATOM 908 N PHE A 110 11.296 17.416 -2.426 1.00 12.36 N ATOM 909 CA PHE A 110 11.847 16.950 -1.124 1.00 12.44 C ATOM 910 C PHE A 110 13.212 17.622 -0.936 1.00 11.27 C ATOM 911 O PHE A 110 13.703 18.323 -1.820 1.00 11.74 O ATOM 912 CB PHE A 110 11.971 15.439 -1.084 1.00 12.98 C ATOM 913 CG PHE A 110 12.972 14.866 -2.024 1.00 13.06 C ATOM 914 CD1 PHE A 110 12.688 14.637 -3.393 1.00 13.51 C ATOM 915 CD2 PHE A 110 14.241 14.532 -1.614 1.00 13.67 C ATOM 916 CE1 PHE A 110 13.669 14.166 -4.276 1.00 14.33 C ATOM 917 CE2 PHE A 110 15.175 14.133 -2.491 1.00 14.17 C ATOM 918 CZ PHE A 110 14.917 13.944 -3.804 1.00 14.31 C ATOM 919 H PHE A 110 11.933 17.863 -3.116 1.00 0.00 H ATOM 920 N PHE A 111 13.800 17.381 0.252 1.00 10.86 N ATOM 921 CA PHE A 111 15.143 17.881 0.545 1.00 10.91 C ATOM 922 C PHE A 111 16.137 16.743 0.657 1.00 11.13 C ATOM 923 O PHE A 111 15.834 15.721 1.284 1.00 11.95 O ATOM 924 CB PHE A 111 15.140 18.623 1.865 1.00 11.45 C ATOM 925 CG PHE A 111 14.372 19.892 1.858 1.00 12.65 C ATOM 926 CD1 PHE A 111 12.994 19.846 2.080 1.00 13.65 C ATOM 927 CD2 PHE A 111 14.973 21.098 1.629 1.00 13.96 C ATOM 928 CE1 PHE A 111 12.263 20.998 2.125 1.00 14.88 C ATOM 929 CE2 PHE A 111 14.213 22.280 1.643 1.00 14.96 C ATOM 930 CZ PHE A 111 12.875 22.208 1.895 1.00 14.42 C ATOM 931 H PHE A 111 13.291 16.830 0.972 1.00 0.00 H ATOM 932 N GLY A 112 17.333 16.941 0.112 1.00 10.58 N ATOM 933 CA GLY A 112 18.442 16.002 0.341 1.00 10.82 C ATOM 934 C GLY A 112 19.504 16.727 1.127 1.00 11.03 C ATOM 935 O GLY A 112 20.119 17.659 0.608 1.00 11.93 O ATOM 936 H GLY A 112 17.488 17.776 -0.488 1.00 0.00 H ATOM 937 N LEU A 113 19.677 16.355 2.387 1.00 10.87 N ATOM 938 CA LEU A 113 20.601 17.081 3.287 1.00 10.96 C ATOM 939 C LEU A 113 21.786 16.193 3.612 1.00 11.18 C ATOM 940 O LEU A 113 21.712 14.972 3.737 1.00 12.57 O ATOM 941 CB LEU A 113 19.879 17.466 4.578 1.00 11.27 C ATOM 942 CG LEU A 113 18.644 18.353 4.363 1.00 11.89 C ATOM 943 CD1 LEU A 113 18.037 18.735 5.717 1.00 12.63 C ATOM 944 CD2 LEU A 113 18.952 19.602 3.577 1.00 12.58 C ATOM 945 H LEU A 113 19.152 15.535 2.752 1.00 0.00 H ATOM 946 N ILE A 114 22.925 16.811 3.793 1.00 11.86 N ATOM 947 CA ILE A 114 24.209 16.123 4.016 1.00 11.97 C ATOM 948 C ILE A 114 24.286 15.777 5.523 1.00 12.07 C ATOM 949 O ILE A 114 24.361 16.646 6.399 1.00 12.54 O ATOM 950 CB ILE A 114 25.354 17.016 3.591 1.00 12.32 C ATOM 951 CG1 ILE A 114 25.246 17.404 2.102 1.00 13.04 C ATOM 952 CG2 ILE A 114 26.698 16.326 3.884 1.00 13.08 C ATOM 953 CD1 ILE A 114 26.028 18.621 1.754 1.00 13.73 C ATOM 954 H ILE A 114 22.924 17.851 3.779 1.00 0.00 H ATOM 955 N LYS A 115 24.275 14.491 5.832 1.00 13.13 N ATOM 956 CA LYS A 115 24.074 14.033 7.171 1.00 14.07 C ATOM 957 C LYS A 115 25.072 14.598 8.177 1.00 13.60 C ATOM 958 O LYS A 115 24.738 15.015 9.274 1.00 14.62 O ATOM 959 CB LYS A 115 24.089 12.499 7.217 1.00 16.53 C ATOM 960 CG LYS A 115 23.777 11.870 8.548 1.00 19.80 C ATOM 961 CD LYS A 115 24.856 11.277 9.380 1.00 23.13 C ATOM 962 CE LYS A 115 24.336 10.221 10.358 1.00 23.23 C ATOM 963 NZ LYS A 115 25.284 9.887 11.514 1.00 20.89 N ATOM 964 HZ1 LYS A 115 26.181 9.524 11.132 1.00 0.00 H ATOM 965 HZ2 LYS A 115 25.466 10.746 12.071 1.00 0.00 H ATOM 966 HZ3 LYS A 115 24.847 9.165 12.121 1.00 0.00 H ATOM 967 H LYS A 115 24.417 13.791 5.076 1.00 0.00 H ATOM 968 N ASP A 116 26.341 14.590 7.787 1.00 13.31 N ATOM 969 CA ASP A 116 27.440 14.982 8.659 1.00 13.40 C ATOM 970 C ASP A 116 27.544 16.471 8.820 1.00 12.53 C ATOM 971 O ASP A 116 28.359 16.964 9.632 1.00 14.70 O ATOM 972 CB ASP A 116 28.817 14.403 8.219 1.00 14.34 C ATOM 973 CG ASP A 116 29.098 14.604 6.775 1.00 16.63 C ATOM 974 OD1 ASP A 116 28.334 14.077 5.960 1.00 18.79 O ATOM 975 OD2 ASP A 116 30.157 15.142 6.439 1.00 18.99 O ATOM 976 H ASP A 116 26.560 14.290 6.815 1.00 0.00 H ATOM 977 N ARG A 117 26.689 17.246 8.148 1.00 11.46 N ATOM 978 CA ARG A 117 26.599 18.697 8.339 1.00 12.14 C ATOM 979 C ARG A 117 25.480 19.129 9.256 1.00 11.16 C ATOM 980 O ARG A 117 25.222 20.338 9.453 1.00 12.26 O ATOM 981 CB ARG A 117 26.512 19.394 6.983 1.00 14.11 C ATOM 982 CG ARG A 117 27.746 19.050 6.130 1.00 15.71 C ATOM 983 CD ARG A 117 27.895 19.819 4.900 1.00 16.45 C ATOM 984 NE ARG A 117 28.986 19.339 4.076 1.00 17.66 N ATOM 985 CZ ARG A 117 29.362 19.914 2.949 1.00 17.28 C ATOM 986 NH1 ARG A 117 28.763 20.962 2.484 1.00 16.81 N ATOM 987 NH2 ARG A 117 30.380 19.426 2.249 1.00 18.81 N ATOM 988 HE ARG A 117 29.502 18.493 4.391 1.00 0.00 H ATOM 989 HH12 ARG A 117 29.084 21.392 1.593 1.00 0.00 H ATOM 990 HH11 ARG A 117 27.961 21.375 3.001 1.00 0.00 H ATOM 991 HH22 ARG A 117 30.669 19.886 1.362 1.00 0.00 H ATOM 992 HH21 ARG A 117 30.888 18.584 2.588 1.00 0.00 H ATOM 993 H ARG A 117 26.056 16.798 7.455 1.00 0.00 H ATOM 994 N LEU A 118 24.816 18.127 9.847 1.00 11.63 N ATOM 995 CA LEU A 118 23.708 18.371 10.788 1.00 11.39 C ATOM 996 C LEU A 118 24.114 17.793 12.162 1.00 11.80 C ATOM 997 O LEU A 118 24.907 16.848 12.233 1.00 13.14 O ATOM 998 CB LEU A 118 22.459 17.649 10.285 1.00 11.76 C ATOM 999 CG LEU A 118 21.939 18.065 8.910 1.00 12.38 C ATOM 1000 CD1 LEU A 118 20.848 17.096 8.504 1.00 13.19 C ATOM 1001 CD2 LEU A 118 21.446 19.483 8.971 1.00 13.51 C ATOM 1002 H LEU A 118 25.091 17.147 9.635 1.00 0.00 H ATOM 1003 N ALA A 119 23.502 18.331 13.191 1.00 11.89 N ATOM 1004 CA ALA A 119 23.616 17.759 14.563 1.00 11.63 C ATOM 1005 C ALA A 119 22.243 17.349 15.022 1.00 11.85 C ATOM 1006 O ALA A 119 21.293 18.113 14.854 1.00 12.25 O ATOM 1007 CB ALA A 119 24.165 18.799 15.522 1.00 12.51 C ATOM 1008 H ALA A 119 22.921 19.181 13.045 1.00 0.00 H ATOM 1009 N GLU A 120 22.116 16.153 15.568 1.00 12.58 N ATOM 1010 CA GLU A 120 20.850 15.631 15.984 1.00 13.80 C ATOM 1011 C GLU A 120 20.711 15.729 17.511 1.00 13.36 C ATOM 1012 O GLU A 120 21.659 15.474 18.250 1.00 13.62 O ATOM 1013 CB GLU A 120 20.707 14.149 15.563 1.00 16.05 C ATOM 1014 CG GLU A 120 19.299 13.586 15.726 1.00 20.17 C ATOM 1015 CD GLU A 120 19.066 12.253 15.045 1.00 22.74 C ATOM 1016 OE1 GLU A 120 19.996 11.681 14.465 1.00 26.05 O ATOM 1017 OE2 GLU A 120 17.869 11.855 15.074 1.00 27.97 O ATOM 1018 H GLU A 120 22.967 15.570 15.700 1.00 0.00 H ATOM 1019 N GLY A 121 19.505 16.043 17.973 1.00 13.82 N ATOM 1020 CA GLY A 121 19.338 16.244 19.423 1.00 14.20 C ATOM 1021 C GLY A 121 17.870 16.375 19.764 1.00 15.78 C ATOM 1022 O GLY A 121 16.955 16.140 18.952 1.00 15.59 O ATOM 1023 H GLY A 121 18.697 16.145 17.326 1.00 0.00 H ATOM 1024 N PRO A 122 17.612 16.759 21.003 1.00 16.82 N ATOM 1025 CA PRO A 122 16.280 16.798 21.514 1.00 18.80 C ATOM 1026 C PRO A 122 15.473 17.937 20.956 1.00 21.28 C ATOM 1027 O PRO A 122 16.006 18.910 20.505 1.00 24.90 O ATOM 1028 CB PRO A 122 16.493 16.964 23.011 1.00 19.92 C ATOM 1029 CG PRO A 122 17.861 17.428 23.207 1.00 19.53 C ATOM 1030 CD PRO A 122 18.648 17.028 22.029 1.00 18.45 C ATOM 1031 N ALA A 123 14.163 17.808 21.071 1.00 24.73 N ATOM 1032 CA ALA A 123 13.144 18.698 20.528 1.00 28.87 C ATOM 1033 C ALA A 123 13.079 20.106 21.098 1.00 34.59 C ATOM 1034 O ALA A 123 13.657 20.374 22.118 1.00 32.81 O ATOM 1035 CB ALA A 123 11.785 18.036 20.709 1.00 31.18 C ATOM 1036 H ALA A 123 13.823 16.984 21.606 1.00 0.00 H ATOM 1037 N ASP A 124 12.295 20.959 20.408 1.00 42.68 N ATOM 1038 CA ASP A 124 12.127 22.427 20.628 1.00 49.06 C ATOM 1039 C ASP A 124 13.376 23.275 20.429 1.00 51.85 C ATOM 1040 O ASP A 124 14.083 23.630 21.389 1.00 54.09 O ATOM 1041 CB ASP A 124 11.535 22.732 21.995 1.00 52.34 C ATOM 1042 CG ASP A 124 10.104 22.377 22.098 1.00 55.37 C ATOM 1043 OD1 ASP A 124 9.435 22.964 22.972 1.00 57.87 O ATOM 1044 OD2 ASP A 124 9.645 21.521 21.311 1.00 57.55 O ATOM 1045 OXT ASP A 124 13.669 23.654 19.294 1.00 53.51 O ATOM 1046 H ASP A 124 11.742 20.546 19.630 1.00 0.00 H TER 1047 ASP A 124 ATOM 1048 N MET B 13 44.488 -14.552 7.504 1.00 33.76 N ATOM 1049 CA MET B 13 44.301 -15.008 8.917 1.00 33.72 C ATOM 1050 C MET B 13 44.683 -13.882 9.872 1.00 34.96 C ATOM 1051 O MET B 13 45.602 -13.085 9.618 1.00 36.94 O ATOM 1052 CB MET B 13 45.145 -16.235 9.189 1.00 32.94 C ATOM 1053 HN3 MET B 13 45.484 -14.293 7.354 1.00 0.00 H ATOM 1054 HN2 MET B 13 43.883 -13.725 7.325 1.00 0.00 H ATOM 1055 HN1 MET B 13 44.227 -15.322 6.855 1.00 0.00 H ATOM 1056 N VAL B 14 43.975 -13.826 10.995 1.00 34.23 N ATOM 1057 CA VAL B 14 44.115 -12.754 11.954 1.00 32.05 C ATOM 1058 C VAL B 14 44.532 -13.393 13.298 1.00 31.68 C ATOM 1059 O VAL B 14 43.865 -14.328 13.816 1.00 30.40 O ATOM 1060 CB VAL B 14 42.795 -11.929 11.980 1.00 33.11 C ATOM 1061 CG1 VAL B 14 42.823 -10.873 13.070 1.00 31.45 C ATOM 1062 CG2 VAL B 14 42.546 -11.262 10.608 1.00 33.67 C ATOM 1063 H VAL B 14 43.292 -14.585 11.192 1.00 0.00 H ATOM 1064 N LEU B 15 45.707 -12.989 13.813 1.00 32.14 N ATOM 1065 CA LEU B 15 46.268 -13.607 15.007 1.00 32.34 C ATOM 1066 C LEU B 15 46.138 -12.674 16.194 1.00 32.07 C ATOM 1067 O LEU B 15 46.424 -13.068 17.332 1.00 33.42 O ATOM 1068 CB LEU B 15 47.736 -14.008 14.801 1.00 32.64 C ATOM 1069 CG LEU B 15 47.883 -15.089 13.706 1.00 33.35 C ATOM 1070 CD1 LEU B 15 49.372 -15.418 13.517 1.00 33.50 C ATOM 1071 CD2 LEU B 15 47.036 -16.354 13.904 1.00 33.78 C ATOM 1072 H LEU B 15 46.227 -12.218 13.348 1.00 0.00 H ATOM 1073 N ALA B 16 45.661 -11.458 15.954 1.00 35.12 N ATOM 1074 CA ALA B 16 45.730 -10.400 16.959 1.00 35.92 C ATOM 1075 C ALA B 16 44.701 -9.325 16.648 1.00 35.99 C ATOM 1076 O ALA B 16 44.089 -9.333 15.569 1.00 37.21 O ATOM 1077 CB ALA B 16 47.142 -9.823 17.003 1.00 36.64 C ATOM 1078 H ALA B 16 45.229 -11.254 15.030 1.00 0.00 H ATOM 1079 N PRO B 17 44.490 -8.384 17.588 1.00 35.37 N ATOM 1080 CA PRO B 17 43.568 -7.269 17.263 1.00 34.60 C ATOM 1081 C PRO B 17 44.117 -6.361 16.164 1.00 34.40 C ATOM 1082 O PRO B 17 45.352 -6.319 15.982 1.00 31.54 O ATOM 1083 CB PRO B 17 43.480 -6.485 18.558 1.00 35.24 C ATOM 1084 CG PRO B 17 44.005 -7.389 19.615 1.00 35.84 C ATOM 1085 CD PRO B 17 45.016 -8.278 18.958 1.00 36.94 C TER 1086 PRO B 17 ATOM 1087 N SER B 20 44.526 -0.705 15.023 1.00 29.27 N ATOM 1088 CA SER B 20 44.958 0.486 15.744 1.00 25.22 C ATOM 1089 C SER B 20 44.134 0.694 17.010 1.00 21.57 C ATOM 1090 O SER B 20 43.104 0.049 17.205 1.00 23.58 O ATOM 1091 CB SER B 20 44.863 1.720 14.845 1.00 25.27 C ATOM 1092 OG SER B 20 43.522 1.967 14.457 1.00 24.12 O ATOM 1093 HG SER B 20 43.490 2.769 13.877 1.00 0.00 H ATOM 1094 HN3 SER B 20 43.526 -0.603 14.756 1.00 0.00 H ATOM 1095 HN2 SER B 20 44.640 -1.539 15.634 1.00 0.00 H ATOM 1096 HN1 SER B 20 45.105 -0.820 14.167 1.00 0.00 H ATOM 1097 N ILE B 21 44.594 1.600 17.867 1.00 18.32 N ATOM 1098 CA ILE B 21 43.906 1.893 19.106 1.00 16.99 C ATOM 1099 C ILE B 21 43.641 3.387 19.256 1.00 15.27 C ATOM 1100 O ILE B 21 44.206 4.186 18.581 1.00 16.27 O ATOM 1101 CB ILE B 21 44.683 1.375 20.308 1.00 20.05 C ATOM 1102 CG1 ILE B 21 46.022 2.006 20.387 1.00 20.77 C ATOM 1103 CG2 ILE B 21 44.827 -0.134 20.273 1.00 21.27 C ATOM 1104 CD1 ILE B 21 46.729 1.632 21.662 1.00 21.84 C ATOM 1105 H ILE B 21 45.471 2.111 17.641 1.00 0.00 H ATOM 1106 N PHE B 22 42.739 3.721 20.148 1.00 12.09 N ATOM 1107 CA PHE B 22 42.383 5.080 20.466 1.00 12.09 C ATOM 1108 C PHE B 22 42.811 5.329 21.913 1.00 12.46 C ATOM 1109 O PHE B 22 42.414 4.632 22.791 1.00 12.90 O ATOM 1110 CB PHE B 22 40.866 5.320 20.329 1.00 12.00 C ATOM 1111 CG PHE B 22 40.388 5.281 18.918 1.00 12.08 C ATOM 1112 CD1 PHE B 22 40.099 4.116 18.322 1.00 12.18 C ATOM 1113 CD2 PHE B 22 40.287 6.423 18.204 1.00 13.94 C ATOM 1114 CE1 PHE B 22 39.675 4.081 17.024 1.00 13.61 C ATOM 1115 CE2 PHE B 22 39.861 6.409 16.887 1.00 14.44 C ATOM 1116 CZ PHE B 22 39.562 5.232 16.311 1.00 13.47 C ATOM 1117 H PHE B 22 42.251 2.957 20.657 1.00 0.00 H ATOM 1118 N ARG B 23 43.659 6.316 22.072 1.00 12.50 N ATOM 1119 CA ARG B 23 44.181 6.709 23.368 1.00 12.88 C ATOM 1120 C ARG B 23 43.545 8.019 23.769 1.00 12.66 C ATOM 1121 O ARG B 23 43.125 8.863 22.942 1.00 13.56 O ATOM 1122 CB ARG B 23 45.683 6.861 23.274 1.00 14.40 C ATOM 1123 CG ARG B 23 46.415 5.579 23.032 1.00 16.19 C ATOM 1124 CD ARG B 23 47.958 5.834 23.013 1.00 18.17 C ATOM 1125 NE ARG B 23 48.688 4.617 22.838 1.00 20.37 N ATOM 1126 CZ ARG B 23 49.006 3.761 23.780 1.00 24.82 C ATOM 1127 NH1 ARG B 23 48.689 3.967 25.082 1.00 25.05 N ATOM 1128 NH2 ARG B 23 49.657 2.640 23.411 1.00 28.32 N ATOM 1129 HE ARG B 23 48.996 4.389 21.871 1.00 0.00 H ATOM 1130 HH12 ARG B 23 48.958 3.265 25.800 1.00 0.00 H ATOM 1131 HH11 ARG B 23 48.176 4.827 25.363 1.00 0.00 H ATOM 1132 HH22 ARG B 23 49.927 1.936 24.127 1.00 0.00 H ATOM 1133 HH21 ARG B 23 49.889 2.479 22.410 1.00 0.00 H ATOM 1134 H ARG B 23 43.972 6.842 21.231 1.00 0.00 H ATOM 1135 N CYS B 24 43.476 8.256 25.097 1.00 12.56 N ATOM 1136 CA CYS B 24 43.148 9.568 25.578 1.00 13.31 C ATOM 1137 C CYS B 24 44.090 10.596 25.030 1.00 14.51 C ATOM 1138 O CYS B 24 45.306 10.436 25.203 1.00 14.53 O ATOM 1139 CB CYS B 24 43.196 9.544 27.098 1.00 14.07 C ATOM 1140 SG CYS B 24 42.949 11.154 27.879 1.00 14.49 S ATOM 1141 H CYS B 24 43.661 7.487 25.772 1.00 0.00 H ATOM 1142 N ARG B 25 43.593 11.640 24.399 1.00 14.31 N ATOM 1143 CA ARG B 25 44.495 12.654 23.792 1.00 16.95 C ATOM 1144 C ARG B 25 45.279 13.380 24.900 1.00 18.17 C ATOM 1145 O ARG B 25 46.400 13.833 24.644 1.00 20.46 O ATOM 1146 CB ARG B 25 43.648 13.583 22.969 1.00 18.68 C ATOM 1147 CG ARG B 25 44.446 14.677 22.307 1.00 21.32 C ATOM 1148 CD ARG B 25 43.506 15.423 21.337 1.00 23.94 C ATOM 1149 NE ARG B 25 43.204 14.671 20.156 1.00 26.67 N ATOM 1150 CZ ARG B 25 44.050 14.463 19.124 1.00 28.58 C ATOM 1151 NH1 ARG B 25 45.310 14.923 19.150 1.00 32.37 N ATOM 1152 NH2 ARG B 25 43.672 13.774 18.079 1.00 27.52 N ATOM 1153 HE ARG B 25 42.255 14.251 20.088 1.00 0.00 H ATOM 1154 HH12 ARG B 25 45.943 14.750 18.343 1.00 0.00 H ATOM 1155 HH11 ARG B 25 45.653 15.452 19.977 1.00 0.00 H ATOM 1156 HH22 ARG B 25 44.333 13.621 17.291 1.00 0.00 H ATOM 1157 HH21 ARG B 25 42.711 13.379 18.036 1.00 0.00 H ATOM 1158 H ARG B 25 42.562 11.756 24.325 1.00 0.00 H ATOM 1159 N GLN B 26 44.705 13.560 26.075 1.00 17.61 N ATOM 1160 CA GLN B 26 45.375 14.305 27.152 1.00 19.52 C ATOM 1161 C GLN B 26 46.414 13.547 27.892 1.00 20.04 C ATOM 1162 O GLN B 26 47.481 14.147 28.209 1.00 24.23 O ATOM 1163 CB GLN B 26 44.291 14.822 28.107 1.00 20.99 C ATOM 1164 CG GLN B 26 44.693 15.654 29.346 1.00 24.14 C ATOM 1165 CD GLN B 26 43.441 16.287 30.021 1.00 27.46 C ATOM 1166 OE1 GLN B 26 43.105 16.025 31.167 1.00 34.46 O ATOM 1167 NE2 GLN B 26 42.728 17.073 29.272 1.00 33.77 N ATOM 1168 HE22 GLN B 26 43.033 17.282 28.300 1.00 0.00 H ATOM 1169 HE21 GLN B 26 41.852 17.493 29.644 1.00 0.00 H ATOM 1170 H GLN B 26 43.757 13.166 26.243 1.00 0.00 H ATOM 1171 N CYS B 27 46.280 12.239 28.131 1.00 17.12 N ATOM 1172 CA CYS B 27 47.333 11.530 28.893 1.00 16.29 C ATOM 1173 C CYS B 27 47.904 10.283 28.238 1.00 15.54 C ATOM 1174 O CYS B 27 48.886 9.717 28.777 1.00 16.80 O ATOM 1175 CB CYS B 27 46.848 11.199 30.254 1.00 16.57 C ATOM 1176 SG CYS B 27 45.698 9.729 30.325 1.00 15.79 S ATOM 1177 H CYS B 27 45.445 11.725 27.785 1.00 0.00 H ATOM 1178 N GLY B 28 47.304 9.820 27.147 1.00 15.04 N ATOM 1179 CA GLY B 28 47.796 8.644 26.496 1.00 15.45 C ATOM 1180 C GLY B 28 47.271 7.306 26.881 1.00 14.39 C ATOM 1181 O GLY B 28 47.573 6.317 26.224 1.00 15.57 O ATOM 1182 H GLY B 28 46.473 10.314 26.764 1.00 0.00 H ATOM 1183 N GLN B 29 46.421 7.241 27.894 1.00 15.41 N ATOM 1184 CA GLN B 29 45.866 5.956 28.305 1.00 16.80 C ATOM 1185 C GLN B 29 45.122 5.306 27.152 1.00 15.07 C ATOM 1186 O GLN B 29 44.333 6.023 26.498 1.00 14.19 O ATOM 1187 CB GLN B 29 44.910 6.121 29.475 1.00 18.13 C ATOM 1188 CG GLN B 29 44.579 4.727 30.019 1.00 20.28 C ATOM 1189 CD GLN B 29 43.867 4.733 31.278 1.00 21.31 C ATOM 1190 OE1 GLN B 29 44.107 3.904 32.103 1.00 24.37 O ATOM 1191 NE2 GLN B 29 42.803 5.562 31.348 1.00 21.81 N ATOM 1192 HE22 GLN B 29 42.642 6.266 30.600 1.00 0.00 H ATOM 1193 HE21 GLN B 29 42.144 5.496 32.150 1.00 0.00 H ATOM 1194 H GLN B 29 46.148 8.109 28.398 1.00 0.00 H ATOM 1195 N THR B 30 45.292 4.034 26.897 1.00 15.19 N ATOM 1196 CA THR B 30 44.484 3.330 25.942 1.00 14.98 C ATOM 1197 C THR B 30 43.046 3.292 26.421 1.00 14.47 C ATOM 1198 O THR B 30 42.772 2.911 27.559 1.00 15.40 O ATOM 1199 CB THR B 30 44.986 1.886 25.723 1.00 16.70 C ATOM 1200 OG1 THR B 30 46.351 2.004 25.237 1.00 19.27 O ATOM 1201 CG2 THR B 30 44.231 1.121 24.725 1.00 19.00 C ATOM 1202 HG1 THR B 30 46.723 1.100 25.079 1.00 0.00 H ATOM 1203 H THR B 30 46.038 3.515 27.403 1.00 0.00 H ATOM 1204 N ILE B 31 42.130 3.656 25.527 1.00 12.46 N ATOM 1205 CA ILE B 31 40.678 3.677 25.825 1.00 12.03 C ATOM 1206 C ILE B 31 39.895 2.699 24.974 1.00 12.20 C ATOM 1207 O ILE B 31 39.025 1.984 25.481 1.00 12.55 O ATOM 1208 CB ILE B 31 40.140 5.084 25.611 1.00 12.07 C ATOM 1209 CG1 ILE B 31 40.888 6.112 26.442 1.00 12.08 C ATOM 1210 CG2 ILE B 31 38.615 5.156 25.836 1.00 11.79 C ATOM 1211 CD1 ILE B 31 40.774 5.948 27.931 1.00 13.41 C ATOM 1212 H ILE B 31 42.447 3.938 24.577 1.00 0.00 H ATOM 1213 N SER B 32 40.069 2.650 23.670 1.00 11.25 N ATOM 1214 CA SER B 32 39.311 1.727 22.850 1.00 11.68 C ATOM 1215 C SER B 32 40.092 1.367 21.592 1.00 11.94 C ATOM 1216 O SER B 32 41.302 1.659 21.496 1.00 12.35 O ATOM 1217 CB SER B 32 37.934 2.272 22.548 1.00 11.83 C ATOM 1218 OG SER B 32 37.062 1.277 22.053 1.00 12.85 O ATOM 1219 HG SER B 32 36.967 0.558 22.727 1.00 0.00 H ATOM 1220 H SER B 32 40.761 3.284 23.222 1.00 0.00 H ATOM 1221 N ARG B 33 39.438 0.653 20.683 1.00 13.67 N ATOM 1222 CA ARG B 33 40.159 -0.016 19.558 1.00 15.00 C ATOM 1223 C ARG B 33 39.313 0.162 18.343 1.00 14.16 C ATOM 1224 O ARG B 33 38.059 0.107 18.411 1.00 13.18 O ATOM 1225 CB ARG B 33 40.248 -1.545 19.843 1.00 17.70 C ATOM 1226 CG ARG B 33 40.916 -1.910 21.166 1.00 22.60 C ATOM 1227 CD ARG B 33 41.255 -3.367 21.262 1.00 24.99 C ATOM 1228 NE ARG B 33 42.419 -3.650 20.358 1.00 31.99 N ATOM 1229 CZ ARG B 33 43.728 -3.612 20.701 1.00 32.68 C ATOM 1230 NH1 ARG B 33 44.123 -3.288 21.913 1.00 37.43 N ATOM 1231 NH2 ARG B 33 44.656 -3.869 19.791 1.00 36.79 N ATOM 1232 HE ARG B 33 42.199 -3.899 19.373 1.00 0.00 H ATOM 1233 HH12 ARG B 33 45.137 -3.269 22.142 1.00 0.00 H ATOM 1234 HH11 ARG B 33 43.421 -3.051 22.643 1.00 0.00 H ATOM 1235 HH22 ARG B 33 45.662 -3.840 20.052 1.00 0.00 H ATOM 1236 HH21 ARG B 33 44.378 -4.099 18.816 1.00 0.00 H ATOM 1237 H ARG B 33 38.405 0.558 20.755 1.00 0.00 H ATOM 1238 N ARG B 34 39.897 0.353 17.172 1.00 14.08 N ATOM 1239 CA ARG B 34 39.200 0.361 15.942 1.00 15.28 C ATOM 1240 C ARG B 34 38.364 -0.909 15.695 1.00 13.66 C ATOM 1241 O ARG B 34 37.243 -0.794 15.141 1.00 13.78 O ATOM 1242 CB ARG B 34 40.188 0.602 14.785 1.00 17.06 C ATOM 1243 CG ARG B 34 39.507 0.709 13.437 1.00 20.01 C ATOM 1244 CD ARG B 34 40.330 1.485 12.406 1.00 22.94 C ATOM 1245 NE ARG B 34 39.335 2.025 11.509 1.00 30.99 N ATOM 1246 CZ ARG B 34 38.839 3.278 11.481 1.00 27.56 C ATOM 1247 NH1 ARG B 34 39.377 4.313 12.151 1.00 25.11 N ATOM 1248 NH2 ARG B 34 37.873 3.495 10.638 1.00 32.98 N ATOM 1249 HE ARG B 34 38.955 1.367 10.799 1.00 0.00 H ATOM 1250 HH12 ARG B 34 38.944 5.256 12.086 1.00 0.00 H ATOM 1251 HH11 ARG B 34 40.226 4.170 12.734 1.00 0.00 H ATOM 1252 HH22 ARG B 34 37.447 4.441 10.568 1.00 0.00 H ATOM 1253 HH21 ARG B 34 37.527 2.722 10.034 1.00 0.00 H ATOM 1254 H ARG B 34 40.926 0.506 17.155 1.00 0.00 H ATOM 1255 N ASP B 35 38.841 -2.070 16.170 1.00 13.78 N ATOM 1256 CA ASP B 35 38.087 -3.300 16.040 1.00 14.43 C ATOM 1257 C ASP B 35 36.699 -3.219 16.735 1.00 12.92 C ATOM 1258 O ASP B 35 35.813 -4.002 16.404 1.00 13.14 O ATOM 1259 CB ASP B 35 38.835 -4.454 16.722 1.00 17.42 C ATOM 1260 CG ASP B 35 40.026 -4.951 15.979 1.00 21.84 C ATOM 1261 OD1 ASP B 35 40.127 -4.680 14.789 1.00 23.18 O ATOM 1262 OD2 ASP B 35 40.798 -5.652 16.659 1.00 26.56 O ATOM 1263 H ASP B 35 39.769 -2.087 16.640 1.00 0.00 H ATOM 1264 N TRP B 36 36.571 -2.278 17.675 1.00 12.20 N ATOM 1265 CA TRP B 36 35.342 -2.170 18.467 1.00 12.35 C ATOM 1266 C TRP B 36 34.446 -1.075 17.984 1.00 13.27 C ATOM 1267 O TRP B 36 33.396 -0.872 18.556 1.00 12.56 O ATOM 1268 CB TRP B 36 35.721 -1.913 19.938 1.00 11.86 C ATOM 1269 CG TRP B 36 36.469 -3.029 20.595 1.00 12.37 C ATOM 1270 CD1 TRP B 36 36.517 -4.358 20.179 1.00 13.09 C ATOM 1271 CD2 TRP B 36 37.148 -2.975 21.850 1.00 12.79 C ATOM 1272 NE1 TRP B 36 37.223 -5.083 21.093 1.00 14.60 N ATOM 1273 CE2 TRP B 36 37.669 -4.270 22.102 1.00 13.52 C ATOM 1274 CE3 TRP B 36 37.472 -1.946 22.736 1.00 13.40 C ATOM 1275 CZ2 TRP B 36 38.415 -4.531 23.248 1.00 14.70 C ATOM 1276 CZ3 TRP B 36 38.212 -2.213 23.850 1.00 14.23 C ATOM 1277 CH2 TRP B 36 38.689 -3.484 24.086 1.00 15.13 C ATOM 1278 HE1 TRP B 36 37.398 -6.106 21.033 1.00 0.00 H ATOM 1279 H TRP B 36 37.353 -1.614 17.847 1.00 0.00 H ATOM 1280 N LEU B 37 34.733 -0.453 16.825 1.00 12.87 N ATOM 1281 CA LEU B 37 33.815 0.495 16.303 1.00 13.42 C ATOM 1282 C LEU B 37 32.469 -0.140 16.059 1.00 14.16 C ATOM 1283 O LEU B 37 32.361 -1.340 15.624 1.00 16.22 O ATOM 1284 CB LEU B 37 34.340 1.099 15.010 1.00 15.38 C ATOM 1285 CG LEU B 37 35.312 2.191 15.250 1.00 16.20 C ATOM 1286 CD1 LEU B 37 36.007 2.517 13.890 1.00 17.40 C ATOM 1287 CD2 LEU B 37 34.712 3.481 15.792 1.00 16.46 C ATOM 1288 H LEU B 37 35.616 -0.665 16.319 1.00 0.00 H ATOM 1289 N LEU B 38 31.410 0.628 16.308 1.00 14.07 N ATOM 1290 CA LEU B 38 30.070 0.047 16.366 1.00 15.91 C ATOM 1291 C LEU B 38 29.163 0.960 15.557 1.00 16.56 C ATOM 1292 O LEU B 38 28.888 2.075 15.968 1.00 16.13 O ATOM 1293 CB LEU B 38 29.567 0.019 17.830 1.00 16.58 C ATOM 1294 CG LEU B 38 28.176 -0.541 18.007 1.00 18.46 C ATOM 1295 CD1 LEU B 38 28.069 -1.991 17.572 1.00 19.55 C ATOM 1296 CD2 LEU B 38 27.825 -0.401 19.483 1.00 18.58 C ATOM 1297 H LEU B 38 31.537 1.649 16.462 1.00 0.00 H ATOM 1298 N PRO B 39 28.635 0.500 14.416 1.00 18.19 N ATOM 1299 CA PRO B 39 27.764 1.367 13.596 1.00 19.61 C ATOM 1300 C PRO B 39 26.301 1.457 14.074 1.00 22.35 C ATOM 1301 O PRO B 39 25.346 0.958 13.395 1.00 26.67 O ATOM 1302 CB PRO B 39 27.837 0.699 12.228 1.00 21.00 C ATOM 1303 CG PRO B 39 28.017 -0.723 12.550 1.00 21.37 C ATOM 1304 CD PRO B 39 28.982 -0.762 13.712 1.00 20.16 C ATOM 1305 N MET B 40 26.051 2.199 15.119 1.00 20.65 N ATOM 1306 CA MET B 40 24.700 2.403 15.678 1.00 21.51 C ATOM 1307 C MET B 40 23.883 3.218 14.744 1.00 21.86 C ATOM 1308 O MET B 40 24.315 4.267 14.263 1.00 21.91 O ATOM 1309 CB MET B 40 24.798 3.130 17.048 1.00 22.10 C ATOM 1310 CG MET B 40 25.390 2.318 18.156 1.00 23.52 C ATOM 1311 SD MET B 40 24.445 0.789 18.583 1.00 27.09 S ATOM 1312 CE MET B 40 22.893 1.478 19.155 1.00 27.59 C ATOM 1313 H MET B 40 26.850 2.674 15.585 1.00 0.00 H ATOM 1314 N GLY B 41 22.678 2.743 14.427 1.00 23.78 N ATOM 1315 CA GLY B 41 21.845 3.453 13.477 1.00 25.59 C ATOM 1316 C GLY B 41 22.490 3.580 12.102 1.00 26.58 C ATOM 1317 O GLY B 41 22.164 4.504 11.381 1.00 28.89 O ATOM 1318 H GLY B 41 22.336 1.862 14.862 1.00 0.00 H ATOM 1319 N GLY B 42 23.416 2.698 11.755 1.00 25.31 N ATOM 1320 CA GLY B 42 24.065 2.660 10.455 1.00 25.59 C ATOM 1321 C GLY B 42 25.301 3.539 10.302 1.00 25.97 C ATOM 1322 O GLY B 42 25.767 3.782 9.167 1.00 27.39 O ATOM 1323 H GLY B 42 23.697 1.986 12.459 1.00 0.00 H ATOM 1324 N ASP B 43 25.793 4.093 11.405 1.00 21.80 N ATOM 1325 CA ASP B 43 26.984 4.971 11.298 1.00 20.61 C ATOM 1326 C ASP B 43 27.691 4.860 12.598 1.00 16.92 C ATOM 1327 O ASP B 43 27.072 5.027 13.653 1.00 17.81 O ATOM 1328 CB ASP B 43 26.565 6.407 11.049 1.00 20.90 C ATOM 1329 CG ASP B 43 27.665 7.294 10.468 1.00 22.97 C ATOM 1330 OD1 ASP B 43 28.881 6.987 10.655 1.00 21.37 O ATOM 1331 OD2 ASP B 43 27.216 8.354 9.874 1.00 25.41 O ATOM 1332 H ASP B 43 25.350 3.914 12.329 1.00 0.00 H ATOM 1333 N HIS B 44 29.031 4.770 12.594 1.00 16.53 N ATOM 1334 CA HIS B 44 29.721 4.869 13.860 1.00 14.92 C ATOM 1335 C HIS B 44 29.865 6.311 14.331 1.00 14.26 C ATOM 1336 O HIS B 44 30.017 6.519 15.528 1.00 13.73 O ATOM 1337 CB HIS B 44 31.043 4.115 13.922 1.00 16.97 C ATOM 1338 CG HIS B 44 32.111 4.663 13.084 1.00 19.35 C ATOM 1339 ND1 HIS B 44 32.643 3.918 12.045 1.00 24.55 N ATOM 1340 CD2 HIS B 44 32.851 5.793 13.152 1.00 20.62 C ATOM 1341 CE1 HIS B 44 33.624 4.611 11.473 1.00 24.89 C ATOM 1342 NE2 HIS B 44 33.747 5.765 12.106 1.00 24.40 N ATOM 1343 H HIS B 44 29.556 4.633 11.707 1.00 0.00 H ATOM 1344 N GLU B 45 29.739 7.285 13.440 1.00 12.76 N ATOM 1345 CA GLU B 45 29.801 8.701 13.777 1.00 12.29 C ATOM 1346 C GLU B 45 28.423 9.303 13.977 1.00 12.14 C ATOM 1347 O GLU B 45 27.566 9.157 13.090 1.00 12.78 O ATOM 1348 CB GLU B 45 30.582 9.549 12.764 1.00 12.72 C ATOM 1349 CG GLU B 45 30.688 11.024 13.121 1.00 12.77 C ATOM 1350 CD GLU B 45 31.617 11.791 12.202 1.00 13.55 C ATOM 1351 OE1 GLU B 45 32.864 11.629 12.397 1.00 13.36 O ATOM 1352 OE2 GLU B 45 31.089 12.588 11.401 1.00 13.68 O ATOM 1353 H GLU B 45 29.587 7.023 12.445 1.00 0.00 H ATOM 1354 N HIS B 46 28.245 10.018 15.065 1.00 12.26 N ATOM 1355 CA HIS B 46 26.975 10.706 15.335 1.00 12.69 C ATOM 1356 C HIS B 46 27.313 12.109 15.807 1.00 12.26 C ATOM 1357 O HIS B 46 27.903 12.311 16.872 1.00 12.67 O ATOM 1358 CB HIS B 46 26.211 9.962 16.431 1.00 13.82 C ATOM 1359 CG HIS B 46 25.717 8.642 16.009 1.00 15.07 C ATOM 1360 ND1 HIS B 46 24.375 8.424 15.784 1.00 20.03 N ATOM 1361 CD2 HIS B 46 26.339 7.479 15.733 1.00 16.86 C ATOM 1362 CE1 HIS B 46 24.194 7.163 15.424 1.00 20.31 C ATOM 1363 NE2 HIS B 46 25.373 6.592 15.308 1.00 17.82 N ATOM 1364 H HIS B 46 29.022 10.099 15.752 1.00 0.00 H ATOM 1365 N VAL B 47 26.917 13.127 15.082 1.00 11.42 N ATOM 1366 CA VAL B 47 26.999 14.516 15.465 1.00 11.74 C ATOM 1367 C VAL B 47 25.705 14.866 16.165 1.00 11.74 C ATOM 1368 O VAL B 47 24.611 14.699 15.618 1.00 12.23 O ATOM 1369 CB VAL B 47 27.275 15.450 14.297 1.00 11.97 C ATOM 1370 CG1 VAL B 47 27.391 16.895 14.787 1.00 12.57 C ATOM 1371 CG2 VAL B 47 28.544 15.019 13.530 1.00 12.37 C ATOM 1372 H VAL B 47 26.508 12.915 14.150 1.00 0.00 H ATOM 1373 N VAL B 48 25.814 15.310 17.403 1.00 11.65 N ATOM 1374 CA VAL B 48 24.679 15.399 18.327 1.00 11.63 C ATOM 1375 C VAL B 48 24.762 16.680 19.118 1.00 11.11 C ATOM 1376 O VAL B 48 25.809 17.306 19.199 1.00 12.39 O ATOM 1377 CB VAL B 48 24.612 14.197 19.279 1.00 11.85 C ATOM 1378 CG1 VAL B 48 24.305 12.948 18.532 1.00 13.28 C ATOM 1379 CG2 VAL B 48 25.895 14.038 20.005 1.00 12.41 C ATOM 1380 H VAL B 48 26.751 15.611 17.740 1.00 0.00 H ATOM 1381 N PHE B 49 23.627 17.106 19.698 1.00 10.61 N ATOM 1382 CA PHE B 49 23.646 18.233 20.616 1.00 11.21 C ATOM 1383 C PHE B 49 22.805 17.904 21.822 1.00 11.02 C ATOM 1384 O PHE B 49 21.887 17.107 21.790 1.00 11.19 O ATOM 1385 CB PHE B 49 23.167 19.556 19.985 1.00 11.39 C ATOM 1386 CG PHE B 49 21.753 19.539 19.521 1.00 12.23 C ATOM 1387 CD1 PHE B 49 21.388 19.158 18.220 1.00 12.97 C ATOM 1388 CD2 PHE B 49 20.737 19.999 20.376 1.00 13.50 C ATOM 1389 CE1 PHE B 49 20.059 19.139 17.854 1.00 13.66 C ATOM 1390 CE2 PHE B 49 19.401 19.962 19.998 1.00 14.21 C ATOM 1391 CZ PHE B 49 19.067 19.536 18.724 1.00 14.44 C ATOM 1392 H PHE B 49 22.729 16.626 19.489 1.00 0.00 H ATOM 1393 N ASN B 50 23.167 18.522 22.958 1.00 10.65 N ATOM 1394 CA ASN B 50 22.483 18.254 24.230 1.00 11.56 C ATOM 1395 C ASN B 50 21.483 19.409 24.509 1.00 12.09 C ATOM 1396 O ASN B 50 21.386 20.379 23.773 1.00 11.73 O ATOM 1397 CB ASN B 50 23.450 17.978 25.383 1.00 12.01 C ATOM 1398 CG ASN B 50 24.270 19.167 25.775 1.00 12.28 C ATOM 1399 OD1 ASN B 50 24.010 20.312 25.399 1.00 12.50 O ATOM 1400 ND2 ASN B 50 25.292 18.885 26.567 1.00 13.31 N ATOM 1401 HD22 ASN B 50 25.470 17.902 26.857 1.00 0.00 H ATOM 1402 HD21 ASN B 50 25.917 19.646 26.900 1.00 0.00 H ATOM 1403 H ASN B 50 23.950 19.206 22.937 1.00 0.00 H ATOM 1404 N PRO B 51 20.694 19.301 25.599 1.00 12.60 N ATOM 1405 CA PRO B 51 19.743 20.340 25.913 1.00 13.24 C ATOM 1406 C PRO B 51 20.346 21.719 26.180 1.00 12.77 C ATOM 1407 O PRO B 51 19.658 22.725 25.966 1.00 14.04 O ATOM 1408 CB PRO B 51 18.982 19.821 27.136 1.00 14.32 C ATOM 1409 CG PRO B 51 19.103 18.347 26.993 1.00 14.79 C ATOM 1410 CD PRO B 51 20.448 18.077 26.401 1.00 14.36 C ATOM 1411 N ALA B 52 21.608 21.750 26.611 1.00 12.37 N ATOM 1412 CA ALA B 52 22.315 23.013 26.818 1.00 12.28 C ATOM 1413 C ALA B 52 22.857 23.598 25.535 1.00 12.07 C ATOM 1414 O ALA B 52 23.415 24.708 25.534 1.00 12.16 O ATOM 1415 CB ALA B 52 23.426 22.839 27.825 1.00 12.54 C ATOM 1416 H ALA B 52 22.101 20.855 26.804 1.00 0.00 H ATOM 1417 N GLY B 53 22.670 22.881 24.437 1.00 11.96 N ATOM 1418 CA GLY B 53 23.077 23.347 23.121 1.00 12.31 C ATOM 1419 C GLY B 53 24.525 23.081 22.786 1.00 12.70 C ATOM 1420 O GLY B 53 25.029 23.627 21.777 1.00 13.50 O ATOM 1421 H GLY B 53 22.215 21.950 24.519 1.00 0.00 H ATOM 1422 N MET B 54 25.212 22.245 23.532 1.00 12.19 N ATOM 1423 CA MET B 54 26.587 21.846 23.193 1.00 13.41 C ATOM 1424 C MET B 54 26.542 20.776 22.107 1.00 12.39 C ATOM 1425 O MET B 54 25.756 19.868 22.173 1.00 11.80 O ATOM 1426 CB MET B 54 27.277 21.237 24.431 1.00 15.91 C ATOM 1427 CG MET B 54 27.150 22.054 25.705 1.00 18.15 C ATOM 1428 SD MET B 54 28.034 21.281 27.071 1.00 22.79 S ATOM 1429 CE MET B 54 26.784 20.840 28.227 1.00 21.40 C ATOM 1430 H MET B 54 24.770 21.853 24.388 1.00 0.00 H ATOM 1431 N ILE B 55 27.394 20.922 21.110 1.00 11.57 N ATOM 1432 CA ILE B 55 27.511 19.997 19.965 1.00 11.87 C ATOM 1433 C ILE B 55 28.694 19.106 20.143 1.00 11.93 C ATOM 1434 O ILE B 55 29.780 19.583 20.556 1.00 14.88 O ATOM 1435 CB ILE B 55 27.606 20.803 18.650 1.00 12.25 C ATOM 1436 CG1 ILE B 55 26.292 21.573 18.421 1.00 13.08 C ATOM 1437 CG2 ILE B 55 27.886 19.872 17.472 1.00 12.52 C ATOM 1438 CD1 ILE B 55 26.449 22.636 17.387 1.00 13.92 C ATOM 1439 H ILE B 55 28.028 21.746 21.132 1.00 0.00 H ATOM 1440 N PHE B 56 28.508 17.813 19.928 1.00 11.49 N ATOM 1441 CA PHE B 56 29.591 16.827 20.053 1.00 11.27 C ATOM 1442 C PHE B 56 29.592 15.978 18.824 1.00 11.16 C ATOM 1443 O PHE B 56 28.539 15.674 18.262 1.00 12.03 O ATOM 1444 CB PHE B 56 29.401 15.895 21.268 1.00 12.10 C ATOM 1445 CG PHE B 56 29.360 16.619 22.586 1.00 13.02 C ATOM 1446 CD1 PHE B 56 28.133 17.088 23.054 1.00 13.90 C ATOM 1447 CD2 PHE B 56 30.494 16.840 23.333 1.00 15.05 C ATOM 1448 CE1 PHE B 56 28.072 17.738 24.260 1.00 16.02 C ATOM 1449 CE2 PHE B 56 30.412 17.515 24.556 1.00 16.06 C ATOM 1450 CZ PHE B 56 29.194 17.955 24.971 1.00 16.45 C ATOM 1451 H PHE B 56 27.559 17.482 19.660 1.00 0.00 H ATOM 1452 N ARG B 57 30.767 15.482 18.463 1.00 10.79 N ATOM 1453 CA ARG B 57 30.917 14.473 17.447 1.00 11.61 C ATOM 1454 C ARG B 57 31.397 13.208 18.087 1.00 11.24 C ATOM 1455 O ARG B 57 32.564 13.140 18.526 1.00 11.15 O ATOM 1456 CB ARG B 57 31.843 14.938 16.321 1.00 12.06 C ATOM 1457 CG ARG B 57 32.048 13.985 15.222 1.00 13.15 C ATOM 1458 CD ARG B 57 32.768 14.572 14.029 1.00 14.27 C ATOM 1459 NE ARG B 57 34.141 14.962 14.378 1.00 14.84 N ATOM 1460 CZ ARG B 57 35.251 14.349 13.970 1.00 15.15 C ATOM 1461 NH1 ARG B 57 35.195 13.284 13.247 1.00 14.82 N ATOM 1462 NH2 ARG B 57 36.421 14.782 14.422 1.00 16.60 N ATOM 1463 HE ARG B 57 34.256 15.789 14.998 1.00 0.00 H ATOM 1464 HH12 ARG B 57 36.072 12.819 12.938 1.00 0.00 H ATOM 1465 HH11 ARG B 57 34.273 12.890 12.973 1.00 0.00 H ATOM 1466 HH22 ARG B 57 37.300 14.318 14.117 1.00 0.00 H ATOM 1467 HH21 ARG B 57 36.459 15.585 15.082 1.00 0.00 H ATOM 1468 H ARG B 57 31.622 15.839 18.936 1.00 0.00 H ATOM 1469 N VAL B 58 30.502 12.223 18.184 1.00 11.47 N ATOM 1470 CA VAL B 58 30.669 11.004 18.928 1.00 11.89 C ATOM 1471 C VAL B 58 30.926 9.850 17.999 1.00 10.80 C ATOM 1472 O VAL B 58 30.266 9.739 16.967 1.00 11.59 O ATOM 1473 CB VAL B 58 29.419 10.842 19.807 1.00 12.53 C ATOM 1474 CG1 VAL B 58 29.186 9.446 20.295 1.00 11.81 C ATOM 1475 CG2 VAL B 58 29.817 11.644 21.116 1.00 12.18 C ATOM 1476 H VAL B 58 29.603 12.348 17.676 1.00 0.00 H ATOM 1477 N TRP B 59 31.860 8.951 18.330 1.00 10.77 N ATOM 1478 CA TRP B 59 32.061 7.674 17.660 1.00 10.77 C ATOM 1479 C TRP B 59 31.628 6.584 18.625 1.00 10.63 C ATOM 1480 O TRP B 59 32.032 6.609 19.785 1.00 10.69 O ATOM 1481 CB TRP B 59 33.515 7.494 17.249 1.00 11.53 C ATOM 1482 CG TRP B 59 33.858 8.278 15.989 1.00 11.99 C ATOM 1483 CD1 TRP B 59 33.203 9.380 15.473 1.00 13.05 C ATOM 1484 CD2 TRP B 59 34.954 8.035 15.141 1.00 13.10 C ATOM 1485 NE1 TRP B 59 33.827 9.777 14.292 1.00 13.30 N ATOM 1486 CE2 TRP B 59 34.855 8.926 14.053 1.00 13.61 C ATOM 1487 CE3 TRP B 59 35.936 7.061 15.092 1.00 13.94 C ATOM 1488 CZ2 TRP B 59 35.773 8.935 13.015 1.00 14.56 C ATOM 1489 CZ3 TRP B 59 36.839 7.043 14.033 1.00 15.30 C ATOM 1490 CH2 TRP B 59 36.727 7.950 13.015 1.00 15.45 C ATOM 1491 HE1 TRP B 59 33.552 10.585 13.698 1.00 0.00 H ATOM 1492 H TRP B 59 32.489 9.182 19.125 1.00 0.00 H ATOM 1493 N CYS B 60 30.884 5.615 18.122 1.00 10.85 N ATOM 1494 CA CYS B 60 30.414 4.539 18.940 1.00 11.45 C ATOM 1495 C CYS B 60 31.353 3.357 18.943 1.00 11.22 C ATOM 1496 O CYS B 60 31.838 2.942 17.889 1.00 10.98 O ATOM 1497 CB CYS B 60 29.050 4.077 18.522 1.00 12.02 C ATOM 1498 SG CYS B 60 27.764 5.367 18.638 1.00 15.24 S ATOM 1499 H CYS B 60 30.635 5.635 17.112 1.00 0.00 H ATOM 1500 N PHE B 61 31.597 2.800 20.138 1.00 10.97 N ATOM 1501 CA PHE B 61 32.458 1.649 20.345 1.00 10.72 C ATOM 1502 C PHE B 61 31.755 0.633 21.191 1.00 10.48 C ATOM 1503 O PHE B 61 31.045 0.997 22.145 1.00 11.21 O ATOM 1504 CB PHE B 61 33.742 2.033 21.052 1.00 10.68 C ATOM 1505 CG PHE B 61 34.657 2.925 20.245 1.00 10.64 C ATOM 1506 CD1 PHE B 61 34.470 4.314 20.252 1.00 10.76 C ATOM 1507 CD2 PHE B 61 35.688 2.401 19.482 1.00 11.81 C ATOM 1508 CE1 PHE B 61 35.351 5.131 19.563 1.00 11.46 C ATOM 1509 CE2 PHE B 61 36.551 3.228 18.790 1.00 12.29 C ATOM 1510 CZ PHE B 61 36.399 4.564 18.836 1.00 11.91 C ATOM 1511 H PHE B 61 31.139 3.220 20.972 1.00 0.00 H ATOM 1512 N SER B 62 31.920 -0.639 20.922 1.00 10.66 N ATOM 1513 CA SER B 62 31.245 -1.686 21.685 1.00 10.89 C ATOM 1514 C SER B 62 31.749 -1.798 23.098 1.00 11.68 C ATOM 1515 O SER B 62 30.972 -2.092 24.011 1.00 13.85 O ATOM 1516 CB SER B 62 31.384 -3.037 20.957 1.00 11.69 C ATOM 1517 OG SER B 62 32.774 -3.276 20.861 1.00 12.41 O ATOM 1518 HG SER B 62 33.199 -2.544 20.348 1.00 0.00 H ATOM 1519 H SER B 62 32.551 -0.911 20.141 1.00 0.00 H ATOM 1520 N LEU B 63 33.050 -1.625 23.276 1.00 11.24 N ATOM 1521 CA LEU B 63 33.737 -1.724 24.569 1.00 10.94 C ATOM 1522 C LEU B 63 34.699 -0.559 24.671 1.00 11.25 C ATOM 1523 O LEU B 63 35.059 0.066 23.676 1.00 11.49 O ATOM 1524 CB LEU B 63 34.517 -3.044 24.693 1.00 11.35 C ATOM 1525 CG LEU B 63 33.749 -4.343 24.470 1.00 12.90 C ATOM 1526 CD1 LEU B 63 34.726 -5.509 24.474 1.00 14.64 C ATOM 1527 CD2 LEU B 63 32.591 -4.544 25.448 1.00 12.81 C ATOM 1528 H LEU B 63 33.626 -1.403 22.439 1.00 0.00 H ATOM 1529 N ALA B 64 35.156 -0.327 25.885 1.00 11.41 N ATOM 1530 CA ALA B 64 36.229 0.601 26.192 1.00 11.57 C ATOM 1531 C ALA B 64 36.845 0.207 27.495 1.00 12.42 C ATOM 1532 O ALA B 64 36.284 -0.670 28.193 1.00 13.18 O ATOM 1533 CB ALA B 64 35.714 2.017 26.231 1.00 11.69 C ATOM 1534 H ALA B 64 34.719 -0.843 26.675 1.00 0.00 H ATOM 1535 N GLN B 65 37.969 0.780 27.801 1.00 12.11 N ATOM 1536 CA GLN B 65 38.657 0.542 29.066 1.00 13.52 C ATOM 1537 C GLN B 65 39.283 1.815 29.522 1.00 12.84 C ATOM 1538 O GLN B 65 39.478 2.777 28.741 1.00 12.88 O ATOM 1539 CB GLN B 65 39.701 -0.541 28.934 1.00 17.52 C ATOM 1540 CG GLN B 65 40.768 -0.226 27.945 1.00 19.75 C ATOM 1541 CD GLN B 65 41.606 -1.435 27.581 1.00 25.66 C ATOM 1542 OE1 GLN B 65 41.096 -2.415 27.049 1.00 30.04 O ATOM 1543 NE2 GLN B 65 42.840 -1.429 28.076 1.00 28.28 N ATOM 1544 HE22 GLN B 65 43.219 -0.567 28.516 1.00 0.00 H ATOM 1545 HE21 GLN B 65 43.426 -2.287 28.023 1.00 0.00 H ATOM 1546 H GLN B 65 38.397 1.436 27.116 1.00 0.00 H ATOM 1547 N GLY B 66 39.657 1.833 30.809 1.00 12.05 N ATOM 1548 CA GLY B 66 40.401 2.967 31.309 1.00 12.75 C ATOM 1549 C GLY B 66 39.581 4.189 31.604 1.00 13.11 C ATOM 1550 O GLY B 66 40.171 5.219 31.989 1.00 14.74 O ATOM 1551 H GLY B 66 39.415 1.042 31.439 1.00 0.00 H ATOM 1552 N LEU B 67 38.255 4.091 31.536 1.00 12.00 N ATOM 1553 CA LEU B 67 37.394 5.200 31.848 1.00 12.26 C ATOM 1554 C LEU B 67 36.893 5.082 33.278 1.00 12.97 C ATOM 1555 O LEU B 67 37.069 4.068 33.942 1.00 12.63 O ATOM 1556 CB LEU B 67 36.221 5.252 30.879 1.00 11.66 C ATOM 1557 CG LEU B 67 36.585 5.387 29.423 1.00 11.96 C ATOM 1558 CD1 LEU B 67 35.453 4.996 28.487 1.00 11.76 C ATOM 1559 CD2 LEU B 67 36.988 6.805 29.097 1.00 12.65 C ATOM 1560 H LEU B 67 37.830 3.186 31.249 1.00 0.00 H ATOM 1561 N ARG B 68 36.294 6.157 33.760 1.00 12.90 N ATOM 1562 CA ARG B 68 35.539 6.154 35.017 1.00 14.31 C ATOM 1563 C ARG B 68 34.187 6.745 34.695 1.00 13.18 C ATOM 1564 O ARG B 68 34.085 7.888 34.195 1.00 13.38 O ATOM 1565 CB ARG B 68 36.258 7.018 36.026 1.00 16.24 C ATOM 1566 CG ARG B 68 35.604 7.166 37.377 1.00 18.26 C ATOM 1567 CD ARG B 68 35.486 5.882 38.156 1.00 22.39 C ATOM 1568 NE ARG B 68 34.784 5.999 39.434 1.00 25.19 N ATOM 1569 CZ ARG B 68 35.306 6.297 40.620 1.00 27.99 C ATOM 1570 NH1 ARG B 68 36.582 6.633 40.758 1.00 29.82 N ATOM 1571 NH2 ARG B 68 34.495 6.310 41.671 1.00 30.71 N ATOM 1572 HE ARG B 68 33.758 5.830 39.412 1.00 0.00 H ATOM 1573 HH12 ARG B 68 36.961 6.861 41.699 1.00 0.00 H ATOM 1574 HH11 ARG B 68 37.203 6.669 39.925 1.00 0.00 H ATOM 1575 HH22 ARG B 68 34.869 6.539 42.614 1.00 0.00 H ATOM 1576 HH21 ARG B 68 33.485 6.091 41.551 1.00 0.00 H ATOM 1577 H ARG B 68 36.361 7.045 33.223 1.00 0.00 H ATOM 1578 N LEU B 69 33.120 6.028 34.990 1.00 12.51 N ATOM 1579 CA LEU B 69 31.777 6.421 34.757 1.00 13.28 C ATOM 1580 C LEU B 69 31.208 7.107 35.960 1.00 14.43 C ATOM 1581 O LEU B 69 31.318 6.572 37.087 1.00 16.67 O ATOM 1582 CB LEU B 69 30.940 5.223 34.332 1.00 13.53 C ATOM 1583 CG LEU B 69 31.464 4.445 33.140 1.00 14.67 C ATOM 1584 CD1 LEU B 69 30.464 3.369 32.735 1.00 15.65 C ATOM 1585 CD2 LEU B 69 31.809 5.286 31.948 1.00 14.62 C ATOM 1586 H LEU B 69 33.276 5.098 35.429 1.00 0.00 H ATOM 1587 N ILE B 70 30.602 8.272 35.760 1.00 14.84 N ATOM 1588 CA ILE B 70 30.260 9.167 36.845 1.00 17.07 C ATOM 1589 C ILE B 70 28.767 9.172 37.070 1.00 17.43 C ATOM 1590 O ILE B 70 27.988 9.419 36.184 1.00 20.15 O ATOM 1591 CB ILE B 70 30.661 10.619 36.461 1.00 19.51 C ATOM 1592 CG1 ILE B 70 32.135 10.716 36.037 1.00 21.35 C ATOM 1593 CG2 ILE B 70 30.363 11.566 37.631 1.00 20.97 C ATOM 1594 CD1 ILE B 70 33.065 10.105 36.992 1.00 21.43 C ATOM 1595 H ILE B 70 30.364 8.552 34.787 1.00 0.00 H ATOM 1596 N GLY B 71 28.358 8.950 38.292 1.00 19.99 N ATOM 1597 CA GLY B 71 26.955 9.080 38.659 1.00 21.11 C ATOM 1598 C GLY B 71 26.097 7.925 38.229 1.00 20.56 C ATOM 1599 O GLY B 71 26.572 6.849 37.796 1.00 23.06 O ATOM 1600 H GLY B 71 29.050 8.675 39.018 1.00 0.00 H ATOM 1601 N ALA B 72 24.797 8.132 38.409 1.00 20.70 N ATOM 1602 CA ALA B 72 23.783 7.152 38.030 1.00 20.09 C ATOM 1603 C ALA B 72 23.378 7.335 36.545 1.00 17.78 C ATOM 1604 O ALA B 72 23.346 8.471 36.054 1.00 18.74 O ATOM 1605 CB ALA B 72 22.576 7.332 38.883 1.00 21.14 C ATOM 1606 H ALA B 72 24.489 9.028 38.837 1.00 0.00 H ATOM 1607 N PRO B 73 22.927 6.266 35.895 1.00 17.96 N ATOM 1608 CA PRO B 73 22.450 6.368 34.518 1.00 17.41 C ATOM 1609 C PRO B 73 21.242 7.238 34.410 1.00 18.12 C ATOM 1610 O PRO B 73 20.391 7.264 35.299 1.00 18.58 O ATOM 1611 CB PRO B 73 22.062 4.941 34.177 1.00 19.62 C ATOM 1612 CG PRO B 73 22.812 4.071 35.124 1.00 21.28 C ATOM 1613 CD PRO B 73 22.891 4.882 36.381 1.00 19.34 C ATOM 1614 N SER B 74 21.146 7.958 33.303 1.00 16.05 N ATOM 1615 CA SER B 74 20.003 8.831 33.034 1.00 16.71 C ATOM 1616 C SER B 74 19.427 8.491 31.685 1.00 16.56 C ATOM 1617 O SER B 74 20.140 8.333 30.721 1.00 15.74 O ATOM 1618 CB SER B 74 20.467 10.240 33.013 1.00 18.83 C ATOM 1619 OG SER B 74 19.395 11.129 32.611 1.00 21.19 O ATOM 1620 HG SER B 74 19.727 12.062 32.604 1.00 0.00 H ATOM 1621 H SER B 74 21.910 7.901 32.600 1.00 0.00 H ATOM 1622 N GLY B 75 18.097 8.457 31.624 1.00 17.59 N ATOM 1623 CA GLY B 75 17.413 8.284 30.367 1.00 18.15 C ATOM 1624 C GLY B 75 17.066 9.598 29.690 1.00 18.65 C ATOM 1625 O GLY B 75 16.613 9.580 28.547 1.00 23.63 O ATOM 1626 H GLY B 75 17.542 8.557 32.498 1.00 0.00 H ATOM 1627 N GLU B 76 17.308 10.705 30.341 1.00 18.11 N ATOM 1628 CA GLU B 76 16.881 12.028 29.828 1.00 19.09 C ATOM 1629 C GLU B 76 17.599 12.364 28.550 1.00 17.14 C ATOM 1630 O GLU B 76 18.837 12.404 28.517 1.00 17.83 O ATOM 1631 CB GLU B 76 17.254 13.118 30.838 1.00 21.54 C ATOM 1632 CG GLU B 76 16.572 13.056 32.163 1.00 24.89 C ATOM 1633 CD GLU B 76 15.332 13.849 32.151 1.00 26.72 C ATOM 1634 OE1 GLU B 76 14.949 14.403 31.069 1.00 27.92 O ATOM 1635 OE2 GLU B 76 14.679 13.866 33.190 1.00 28.10 O ATOM 1636 H GLU B 76 17.816 10.656 31.247 1.00 0.00 H ATOM 1637 N PHE B 77 16.891 12.647 27.477 1.00 15.38 N ATOM 1638 CA PHE B 77 17.468 13.159 26.241 1.00 15.94 C ATOM 1639 C PHE B 77 18.538 12.292 25.634 1.00 14.66 C ATOM 1640 O PHE B 77 19.500 12.765 25.034 1.00 14.36 O ATOM 1641 CB PHE B 77 17.902 14.602 26.430 1.00 18.53 C ATOM 1642 CG PHE B 77 16.755 15.511 26.944 1.00 20.19 C ATOM 1643 CD1 PHE B 77 15.629 15.707 26.166 1.00 21.12 C ATOM 1644 CD2 PHE B 77 16.788 16.017 28.204 1.00 23.28 C ATOM 1645 CE1 PHE B 77 14.548 16.424 26.610 1.00 22.86 C ATOM 1646 CE2 PHE B 77 15.726 16.775 28.679 1.00 22.06 C ATOM 1647 CZ PHE B 77 14.581 16.942 27.886 1.00 23.94 C ATOM 1648 H PHE B 77 15.863 12.497 27.514 1.00 0.00 H ATOM 1649 N SER B 78 18.402 10.984 25.840 1.00 14.19 N ATOM 1650 CA SER B 78 19.431 10.079 25.330 1.00 13.20 C ATOM 1651 C SER B 78 19.484 10.171 23.823 1.00 13.50 C ATOM 1652 O SER B 78 18.426 10.107 23.111 1.00 14.94 O ATOM 1653 CB SER B 78 19.058 8.670 25.717 1.00 14.29 C ATOM 1654 OG SER B 78 20.102 7.833 25.216 1.00 14.37 O ATOM 1655 HG SER B 78 19.906 6.890 25.444 1.00 0.00 H ATOM 1656 H SER B 78 17.578 10.612 26.355 1.00 0.00 H ATOM 1657 N TRP B 79 20.699 10.207 23.275 1.00 12.59 N ATOM 1658 CA TRP B 79 20.880 10.245 21.858 1.00 13.20 C ATOM 1659 C TRP B 79 20.635 8.875 21.189 1.00 13.47 C ATOM 1660 O TRP B 79 20.586 8.780 19.943 1.00 15.89 O ATOM 1661 CB TRP B 79 22.302 10.716 21.521 1.00 12.64 C ATOM 1662 CG TRP B 79 22.543 12.132 21.928 1.00 12.10 C ATOM 1663 CD1 TRP B 79 21.709 13.207 21.742 1.00 12.91 C ATOM 1664 CD2 TRP B 79 23.723 12.640 22.530 1.00 11.51 C ATOM 1665 NE1 TRP B 79 22.296 14.325 22.204 1.00 12.29 N ATOM 1666 CE2 TRP B 79 23.553 14.032 22.690 1.00 11.31 C ATOM 1667 CE3 TRP B 79 24.950 12.068 22.945 1.00 11.45 C ATOM 1668 CZ2 TRP B 79 24.530 14.842 23.234 1.00 11.92 C ATOM 1669 CZ3 TRP B 79 25.886 12.865 23.515 1.00 11.68 C ATOM 1670 CH2 TRP B 79 25.713 14.241 23.629 1.00 12.23 C ATOM 1671 HE1 TRP B 79 21.865 15.272 22.196 1.00 0.00 H ATOM 1672 H TRP B 79 21.535 10.207 23.894 1.00 0.00 H ATOM 1673 N PHE B 80 20.501 7.826 21.985 1.00 13.57 N ATOM 1674 CA PHE B 80 20.300 6.479 21.476 1.00 14.73 C ATOM 1675 C PHE B 80 19.082 5.909 22.145 1.00 15.79 C ATOM 1676 O PHE B 80 19.081 5.611 23.338 1.00 15.13 O ATOM 1677 CB PHE B 80 21.557 5.633 21.702 1.00 14.25 C ATOM 1678 CG PHE B 80 22.782 6.186 20.976 1.00 14.83 C ATOM 1679 CD1 PHE B 80 23.023 5.925 19.651 1.00 15.35 C ATOM 1680 CD2 PHE B 80 23.638 6.976 21.614 1.00 14.53 C ATOM 1681 CE1 PHE B 80 24.089 6.535 19.003 1.00 15.66 C ATOM 1682 CE2 PHE B 80 24.752 7.529 21.003 1.00 13.95 C ATOM 1683 CZ PHE B 80 24.948 7.328 19.669 1.00 14.80 C ATOM 1684 H PHE B 80 20.541 7.971 23.014 1.00 0.00 H ATOM 1685 N LYS B 81 17.980 5.814 21.372 1.00 18.52 N ATOM 1686 CA LYS B 81 16.725 5.377 21.910 1.00 20.29 C ATOM 1687 C LYS B 81 16.830 4.014 22.560 1.00 18.02 C ATOM 1688 O LYS B 81 17.494 3.108 22.006 1.00 18.38 O ATOM 1689 CB LYS B 81 15.710 5.319 20.755 1.00 23.90 C ATOM 1690 CG LYS B 81 14.318 4.887 21.155 1.00 29.04 C ATOM 1691 CD LYS B 81 13.328 5.069 20.010 1.00 33.15 C ATOM 1692 CE LYS B 81 12.190 4.054 20.138 1.00 37.53 C ATOM 1693 NZ LYS B 81 10.980 4.501 19.407 1.00 39.96 N ATOM 1694 HZ1 LYS B 81 10.657 5.410 19.796 1.00 0.00 H ATOM 1695 HZ2 LYS B 81 11.208 4.616 18.399 1.00 0.00 H ATOM 1696 HZ3 LYS B 81 10.229 3.790 19.515 1.00 0.00 H ATOM 1697 H LYS B 81 18.042 6.063 20.364 1.00 0.00 H ATOM 1698 N GLY B 82 16.288 3.900 23.763 1.00 18.23 N ATOM 1699 CA GLY B 82 16.335 2.671 24.496 1.00 18.03 C ATOM 1700 C GLY B 82 17.477 2.513 25.468 1.00 16.43 C ATOM 1701 O GLY B 82 17.564 1.498 26.158 1.00 17.61 O ATOM 1702 H GLY B 82 15.816 4.724 24.186 1.00 0.00 H ATOM 1703 N TYR B 83 18.372 3.514 25.504 1.00 14.54 N ATOM 1704 CA TYR B 83 19.531 3.457 26.370 1.00 14.04 C ATOM 1705 C TYR B 83 19.570 4.608 27.344 1.00 13.89 C ATOM 1706 O TYR B 83 19.195 5.726 27.002 1.00 14.34 O ATOM 1707 CB TYR B 83 20.852 3.491 25.545 1.00 13.58 C ATOM 1708 CG TYR B 83 21.057 2.281 24.674 1.00 13.83 C ATOM 1709 CD1 TYR B 83 20.529 2.225 23.397 1.00 14.88 C ATOM 1710 CD2 TYR B 83 21.756 1.186 25.121 1.00 15.63 C ATOM 1711 CE1 TYR B 83 20.695 1.102 22.623 1.00 15.46 C ATOM 1712 CE2 TYR B 83 21.924 0.084 24.329 1.00 15.71 C ATOM 1713 CZ TYR B 83 21.386 0.048 23.078 1.00 16.32 C ATOM 1714 OH TYR B 83 21.537 -1.103 22.279 1.00 17.62 O ATOM 1715 HH TYR B 83 21.128 -1.878 22.739 1.00 0.00 H ATOM 1716 H TYR B 83 18.230 4.347 24.898 1.00 0.00 H ATOM 1717 N ASP B 84 20.101 4.340 28.520 1.00 14.02 N ATOM 1718 CA ASP B 84 20.468 5.330 29.489 1.00 14.68 C ATOM 1719 C ASP B 84 21.950 5.624 29.363 1.00 14.85 C ATOM 1720 O ASP B 84 22.657 4.754 28.893 1.00 16.44 O ATOM 1721 CB ASP B 84 20.185 4.841 30.895 1.00 16.21 C ATOM 1722 CG ASP B 84 18.803 4.958 31.381 1.00 18.77 C ATOM 1723 OD1 ASP B 84 17.856 5.175 30.607 1.00 18.22 O ATOM 1724 OD2 ASP B 84 18.741 4.829 32.680 1.00 23.86 O ATOM 1725 H ASP B 84 20.265 3.342 28.761 1.00 0.00 H ATOM 1726 N TRP B 85 22.349 6.801 29.776 1.00 12.27 N ATOM 1727 CA TRP B 85 23.737 7.244 29.642 1.00 12.84 C ATOM 1728 C TRP B 85 24.341 7.646 30.968 1.00 12.78 C ATOM 1729 O TRP B 85 23.635 8.153 31.890 1.00 13.46 O ATOM 1730 CB TRP B 85 23.877 8.390 28.683 1.00 12.71 C ATOM 1731 CG TRP B 85 23.015 9.574 28.934 1.00 12.67 C ATOM 1732 CD1 TRP B 85 21.779 9.783 28.394 1.00 14.15 C ATOM 1733 CD2 TRP B 85 23.276 10.686 29.770 1.00 13.17 C ATOM 1734 NE1 TRP B 85 21.284 10.960 28.827 1.00 14.09 N ATOM 1735 CE2 TRP B 85 22.150 11.561 29.678 1.00 13.66 C ATOM 1736 CE3 TRP B 85 24.346 11.068 30.583 1.00 13.93 C ATOM 1737 CZ2 TRP B 85 22.108 12.769 30.356 1.00 14.43 C ATOM 1738 CZ3 TRP B 85 24.283 12.294 31.257 1.00 14.17 C ATOM 1739 CH2 TRP B 85 23.138 13.111 31.137 1.00 14.45 C ATOM 1740 HE1 TRP B 85 20.363 11.353 28.546 1.00 0.00 H ATOM 1741 H TRP B 85 21.657 7.442 30.214 1.00 0.00 H ATOM 1742 N THR B 86 25.668 7.504 31.036 1.00 11.85 N ATOM 1743 CA THR B 86 26.472 8.022 32.131 1.00 12.54 C ATOM 1744 C THR B 86 27.690 8.687 31.536 1.00 12.34 C ATOM 1745 O THR B 86 28.254 8.211 30.550 1.00 13.38 O ATOM 1746 CB THR B 86 26.983 6.970 33.116 1.00 12.52 C ATOM 1747 OG1 THR B 86 27.648 5.942 32.442 1.00 13.18 O ATOM 1748 CG2 THR B 86 25.906 6.444 34.000 1.00 12.72 C ATOM 1749 HG1 THR B 86 28.419 6.318 31.947 1.00 0.00 H ATOM 1750 H THR B 86 26.150 6.997 30.266 1.00 0.00 H ATOM 1751 N ILE B 87 28.107 9.795 32.108 1.00 12.43 N ATOM 1752 CA ILE B 87 29.320 10.485 31.702 1.00 12.19 C ATOM 1753 C ILE B 87 30.535 9.585 31.917 1.00 11.69 C ATOM 1754 O ILE B 87 30.673 8.958 32.951 1.00 12.02 O ATOM 1755 CB ILE B 87 29.519 11.779 32.546 1.00 12.79 C ATOM 1756 CG1 ILE B 87 28.469 12.808 32.164 1.00 14.00 C ATOM 1757 CG2 ILE B 87 30.920 12.369 32.339 1.00 13.27 C ATOM 1758 CD1 ILE B 87 28.753 13.393 30.803 1.00 13.86 C ATOM 1759 H ILE B 87 27.544 10.195 32.885 1.00 0.00 H ATOM 1760 N ALA B 88 31.419 9.560 30.921 1.00 11.36 N ATOM 1761 CA ALA B 88 32.682 8.829 30.969 1.00 11.19 C ATOM 1762 C ALA B 88 33.862 9.765 30.935 1.00 12.27 C ATOM 1763 O ALA B 88 34.055 10.517 29.972 1.00 12.43 O ATOM 1764 CB ALA B 88 32.759 7.863 29.798 1.00 10.95 C ATOM 1765 H ALA B 88 31.196 10.094 30.057 1.00 0.00 H ATOM 1766 N LEU B 89 34.669 9.710 31.979 1.00 11.79 N ATOM 1767 CA LEU B 89 35.938 10.432 32.054 1.00 12.58 C ATOM 1768 C LEU B 89 37.083 9.473 31.856 1.00 12.40 C ATOM 1769 O LEU B 89 36.973 8.280 32.184 1.00 12.80 O ATOM 1770 CB LEU B 89 36.134 11.072 33.437 1.00 13.35 C ATOM 1771 CG LEU B 89 35.015 11.977 33.856 1.00 14.12 C ATOM 1772 CD1 LEU B 89 35.354 12.562 35.208 1.00 15.52 C ATOM 1773 CD2 LEU B 89 34.665 13.090 32.883 1.00 14.39 C ATOM 1774 H LEU B 89 34.387 9.123 32.790 1.00 0.00 H ATOM 1775 N CYS B 90 38.206 9.964 31.363 1.00 12.64 N ATOM 1776 CA CYS B 90 39.428 9.184 31.476 1.00 12.70 C ATOM 1777 C CYS B 90 39.732 8.898 32.936 1.00 13.62 C ATOM 1778 O CYS B 90 39.766 9.831 33.748 1.00 14.27 O ATOM 1779 CB CYS B 90 40.573 9.926 30.873 1.00 13.45 C ATOM 1780 SG CYS B 90 42.162 9.005 30.988 1.00 13.87 S ATOM 1781 H CYS B 90 38.216 10.895 30.901 1.00 0.00 H ATOM 1782 N GLY B 91 39.915 7.638 33.294 1.00 14.09 N ATOM 1783 CA GLY B 91 40.169 7.272 34.688 1.00 14.86 C ATOM 1784 C GLY B 91 41.524 7.713 35.141 1.00 16.19 C ATOM 1785 O GLY B 91 41.727 7.816 36.351 1.00 17.48 O ATOM 1786 H GLY B 91 39.878 6.892 32.570 1.00 0.00 H ATOM 1787 N GLN B 92 42.450 7.989 34.254 1.00 14.91 N ATOM 1788 CA GLN B 92 43.804 8.375 34.634 1.00 15.72 C ATOM 1789 C GLN B 92 43.935 9.865 34.783 1.00 15.57 C ATOM 1790 O GLN B 92 44.516 10.301 35.773 1.00 17.60 O ATOM 1791 CB GLN B 92 44.780 7.788 33.603 1.00 15.96 C ATOM 1792 CG GLN B 92 46.229 7.980 33.845 1.00 16.53 C ATOM 1793 CD GLN B 92 47.051 6.940 33.137 1.00 16.51 C ATOM 1794 OE1 GLN B 92 47.336 5.814 33.728 1.00 17.03 O ATOM 1795 NE2 GLN B 92 47.526 7.284 31.946 1.00 15.91 N ATOM 1796 HE22 GLN B 92 47.262 8.198 31.525 1.00 0.00 H ATOM 1797 HE21 GLN B 92 48.162 6.640 31.434 1.00 0.00 H ATOM 1798 H GLN B 92 42.210 7.930 33.244 1.00 0.00 H ATOM 1799 N CYS B 93 43.396 10.682 33.876 1.00 15.71 N ATOM 1800 CA CYS B 93 43.552 12.127 33.888 1.00 15.85 C ATOM 1801 C CYS B 93 42.311 12.962 34.104 1.00 16.55 C ATOM 1802 O CYS B 93 42.372 14.164 34.258 1.00 17.92 O ATOM 1803 CB CYS B 93 44.281 12.633 32.650 1.00 16.62 C ATOM 1804 SG CYS B 93 43.279 12.676 31.199 1.00 16.69 S ATOM 1805 H CYS B 93 42.829 10.259 33.114 1.00 0.00 H ATOM 1806 N GLY B 94 41.142 12.347 33.991 1.00 15.00 N ATOM 1807 CA GLY B 94 39.870 13.057 34.180 1.00 14.96 C ATOM 1808 C GLY B 94 39.280 13.749 32.959 1.00 15.04 C ATOM 1809 O GLY B 94 38.208 14.336 33.067 1.00 15.77 O ATOM 1810 H GLY B 94 41.125 11.333 33.762 1.00 0.00 H ATOM 1811 N SER B 95 39.947 13.680 31.793 1.00 14.62 N ATOM 1812 CA SER B 95 39.385 14.264 30.563 1.00 15.07 C ATOM 1813 C SER B 95 37.992 13.708 30.286 1.00 14.18 C ATOM 1814 O SER B 95 37.774 12.517 30.397 1.00 13.39 O ATOM 1815 CB SER B 95 40.319 13.952 29.420 1.00 15.44 C ATOM 1816 OG SER B 95 39.888 14.570 28.196 1.00 16.88 O ATOM 1817 HG SER B 95 40.524 14.343 27.472 1.00 0.00 H ATOM 1818 H SER B 95 40.873 13.208 31.759 1.00 0.00 H ATOM 1819 N HIS B 96 37.070 14.545 29.837 1.00 14.71 N ATOM 1820 CA HIS B 96 35.731 14.088 29.485 1.00 14.55 C ATOM 1821 C HIS B 96 35.805 13.442 28.114 1.00 14.38 C ATOM 1822 O HIS B 96 35.970 14.148 27.097 1.00 15.94 O ATOM 1823 CB HIS B 96 34.682 15.181 29.502 1.00 15.29 C ATOM 1824 CG HIS B 96 33.345 14.718 28.994 1.00 15.74 C ATOM 1825 ND1 HIS B 96 32.465 15.520 28.261 1.00 17.05 N ATOM 1826 CD2 HIS B 96 32.758 13.488 29.085 1.00 14.73 C ATOM 1827 CE1 HIS B 96 31.422 14.775 27.920 1.00 16.17 C ATOM 1828 NE2 HIS B 96 31.540 13.574 28.461 1.00 15.58 N ATOM 1829 H HIS B 96 37.306 15.552 29.733 1.00 0.00 H ATOM 1830 N LEU B 97 35.721 12.112 28.026 1.00 11.88 N ATOM 1831 CA LEU B 97 35.911 11.378 26.782 1.00 11.94 C ATOM 1832 C LEU B 97 34.597 10.953 26.150 1.00 11.51 C ATOM 1833 O LEU B 97 34.616 10.568 25.003 1.00 12.44 O ATOM 1834 CB LEU B 97 36.803 10.169 26.996 1.00 11.83 C ATOM 1835 CG LEU B 97 38.265 10.545 27.396 1.00 12.84 C ATOM 1836 CD1 LEU B 97 39.158 9.309 27.406 1.00 13.59 C ATOM 1837 CD2 LEU B 97 38.910 11.592 26.533 1.00 14.09 C ATOM 1838 H LEU B 97 35.509 11.573 28.890 1.00 0.00 H ATOM 1839 N GLY B 98 33.466 10.968 26.842 1.00 11.12 N ATOM 1840 CA GLY B 98 32.169 10.675 26.235 1.00 10.72 C ATOM 1841 C GLY B 98 31.165 10.164 27.251 1.00 10.66 C ATOM 1842 O GLY B 98 31.048 10.711 28.361 1.00 10.64 O ATOM 1843 H GLY B 98 33.503 11.197 27.856 1.00 0.00 H ATOM 1844 N TRP B 99 30.489 9.081 26.868 1.00 10.15 N ATOM 1845 CA TRP B 99 29.416 8.516 27.620 1.00 10.32 C ATOM 1846 C TRP B 99 29.394 7.014 27.469 1.00 10.21 C ATOM 1847 O TRP B 99 29.764 6.474 26.432 1.00 10.89 O ATOM 1848 CB TRP B 99 28.044 9.080 27.100 1.00 11.37 C ATOM 1849 CG TRP B 99 27.892 10.512 27.293 1.00 11.79 C ATOM 1850 CD1 TRP B 99 27.299 11.119 28.334 1.00 13.29 C ATOM 1851 CD2 TRP B 99 28.337 11.582 26.420 1.00 12.13 C ATOM 1852 NE1 TRP B 99 27.342 12.464 28.234 1.00 13.81 N ATOM 1853 CE2 TRP B 99 28.007 12.812 27.088 1.00 12.81 C ATOM 1854 CE3 TRP B 99 29.012 11.648 25.197 1.00 12.98 C ATOM 1855 CZ2 TRP B 99 28.244 14.041 26.523 1.00 13.42 C ATOM 1856 CZ3 TRP B 99 29.323 12.929 24.707 1.00 13.07 C ATOM 1857 CH2 TRP B 99 28.871 14.047 25.347 1.00 13.21 C ATOM 1858 HE1 TRP B 99 26.934 13.132 28.919 1.00 0.00 H ATOM 1859 H TRP B 99 30.758 8.623 25.974 1.00 0.00 H ATOM 1860 N HIS B 100 28.894 6.345 28.495 1.00 10.39 N ATOM 1861 CA HIS B 100 28.524 4.938 28.439 1.00 10.79 C ATOM 1862 C HIS B 100 27.016 4.808 28.328 1.00 10.83 C ATOM 1863 O HIS B 100 26.292 5.546 29.037 1.00 12.43 O ATOM 1864 CB HIS B 100 28.987 4.194 29.682 1.00 11.50 C ATOM 1865 CG HIS B 100 28.805 2.718 29.572 1.00 13.40 C ATOM 1866 ND1 HIS B 100 28.188 1.993 30.546 1.00 19.28 N ATOM 1867 CD2 HIS B 100 29.273 1.838 28.657 1.00 15.44 C ATOM 1868 CE1 HIS B 100 28.253 0.713 30.182 1.00 17.84 C ATOM 1869 NE2 HIS B 100 28.866 0.593 29.052 1.00 18.84 N ATOM 1870 H HIS B 100 28.758 6.853 29.392 1.00 0.00 H ATOM 1871 N TYR B 101 26.546 3.885 27.496 1.00 10.51 N ATOM 1872 CA TYR B 101 25.130 3.624 27.282 1.00 11.02 C ATOM 1873 C TYR B 101 24.838 2.229 27.759 1.00 12.26 C ATOM 1874 O TYR B 101 25.587 1.290 27.518 1.00 12.92 O ATOM 1875 CB TYR B 101 24.785 3.765 25.769 1.00 10.57 C ATOM 1876 CG TYR B 101 24.834 5.201 25.349 1.00 10.57 C ATOM 1877 CD1 TYR B 101 23.747 6.058 25.578 1.00 11.43 C ATOM 1878 CD2 TYR B 101 26.006 5.762 24.860 1.00 10.34 C ATOM 1879 CE1 TYR B 101 23.858 7.416 25.272 1.00 11.35 C ATOM 1880 CE2 TYR B 101 26.102 7.106 24.619 1.00 10.27 C ATOM 1881 CZ TYR B 101 25.035 7.916 24.772 1.00 11.06 C ATOM 1882 OH TYR B 101 25.158 9.257 24.470 1.00 12.26 O ATOM 1883 HH TYR B 101 24.294 9.712 24.634 1.00 0.00 H ATOM 1884 H TYR B 101 27.233 3.313 26.964 1.00 0.00 H ATOM 1885 N GLU B 102 23.656 2.078 28.388 1.00 13.04 N ATOM 1886 CA GLU B 102 23.237 0.784 28.923 1.00 16.19 C ATOM 1887 C GLU B 102 21.731 0.682 28.880 1.00 17.98 C ATOM 1888 O GLU B 102 20.986 1.629 28.783 1.00 15.30 O ATOM 1889 CB GLU B 102 23.723 0.592 30.370 1.00 19.17 C ATOM 1890 CG GLU B 102 23.123 1.576 31.354 1.00 22.98 C ATOM 1891 CD GLU B 102 23.680 1.436 32.780 1.00 27.25 C ATOM 1892 OE1 GLU B 102 24.853 1.846 33.002 1.00 33.24 O ATOM 1893 OE2 GLU B 102 22.925 0.979 33.686 1.00 35.11 O ATOM 1894 H GLU B 102 23.028 2.900 28.495 1.00 0.00 H ATOM 1895 N GLY B 103 21.303 -0.534 29.195 1.00 23.00 N ATOM 1896 CA GLY B 103 19.852 -0.769 29.467 1.00 24.41 C ATOM 1897 C GLY B 103 19.082 -1.000 28.215 1.00 27.77 C ATOM 1898 O GLY B 103 17.844 -1.092 28.261 1.00 29.04 O ATOM 1899 H GLY B 103 21.977 -1.324 29.253 1.00 0.00 H ATOM 1900 N GLY B 104 19.772 -1.154 27.092 1.00 26.53 N ATOM 1901 CA GLY B 104 19.156 -1.587 25.820 1.00 27.90 C ATOM 1902 C GLY B 104 19.338 -3.072 25.577 1.00 32.01 C ATOM 1903 O GLY B 104 19.540 -3.897 26.496 1.00 30.17 O ATOM 1904 H GLY B 104 20.794 -0.961 27.108 1.00 0.00 H ATOM 1905 N SER B 105 19.168 -3.421 24.311 1.00 35.34 N ATOM 1906 CA SER B 105 19.400 -4.772 23.833 1.00 37.49 C ATOM 1907 C SER B 105 20.177 -4.749 22.554 1.00 34.31 C ATOM 1908 O SER B 105 20.000 -3.853 21.750 1.00 35.88 O ATOM 1909 CB SER B 105 18.063 -5.494 23.617 1.00 40.66 C ATOM 1910 OG SER B 105 17.100 -4.725 22.896 1.00 46.70 O ATOM 1911 HG SER B 105 16.268 -5.251 22.795 1.00 0.00 H ATOM 1912 H SER B 105 18.856 -2.698 23.632 1.00 0.00 H ATOM 1913 N GLN B 106 21.065 -5.731 22.403 1.00 33.48 N ATOM 1914 CA GLN B 106 21.826 -5.976 21.179 1.00 33.76 C ATOM 1915 C GLN B 106 22.401 -4.681 20.554 1.00 31.52 C ATOM 1916 O GLN B 106 22.017 -4.288 19.456 1.00 33.26 O ATOM 1917 CB GLN B 106 20.980 -6.776 20.165 1.00 38.71 C ATOM 1918 CG GLN B 106 20.207 -7.951 20.773 1.00 42.09 C ATOM 1919 CD GLN B 106 19.123 -8.493 19.848 1.00 45.85 C ATOM 1920 OE1 GLN B 106 19.331 -8.591 18.637 1.00 49.64 O ATOM 1921 NE2 GLN B 106 17.965 -8.879 20.413 1.00 48.45 N ATOM 1922 HE22 GLN B 106 17.829 -8.780 21.439 1.00 0.00 H ATOM 1923 HE21 GLN B 106 17.206 -9.277 19.824 1.00 0.00 H ATOM 1924 H GLN B 106 21.228 -6.366 23.210 1.00 0.00 H ATOM 1925 N PRO B 107 23.373 -4.048 21.217 1.00 24.51 N ATOM 1926 CA PRO B 107 24.027 -4.567 22.425 1.00 24.09 C ATOM 1927 C PRO B 107 23.391 -4.005 23.687 1.00 22.08 C ATOM 1928 O PRO B 107 22.684 -2.957 23.658 1.00 24.05 O ATOM 1929 CB PRO B 107 25.437 -4.038 22.278 1.00 24.30 C ATOM 1930 CG PRO B 107 25.222 -2.717 21.589 1.00 24.57 C ATOM 1931 CD PRO B 107 24.095 -2.910 20.623 1.00 25.60 C ATOM 1932 N GLN B 108 23.652 -4.598 24.810 1.00 19.54 N ATOM 1933 CA GLN B 108 23.107 -4.064 26.011 1.00 20.37 C ATOM 1934 C GLN B 108 23.944 -2.868 26.505 1.00 18.30 C ATOM 1935 O GLN B 108 23.425 -2.069 27.152 1.00 20.13 O ATOM 1936 CB GLN B 108 23.089 -5.119 27.099 1.00 21.46 C ATOM 1937 CG GLN B 108 21.980 -6.164 27.011 1.00 25.56 C ATOM 1938 CD GLN B 108 22.072 -7.215 28.109 1.00 29.83 C ATOM 1939 OE1 GLN B 108 22.270 -6.925 29.269 1.00 35.78 O ATOM 1940 NE2 GLN B 108 21.932 -8.429 27.729 1.00 35.37 N ATOM 1941 HE22 GLN B 108 21.763 -8.644 26.725 1.00 0.00 H ATOM 1942 HE21 GLN B 108 21.987 -9.201 28.424 1.00 0.00 H ATOM 1943 H GLN B 108 24.249 -5.449 24.833 1.00 0.00 H ATOM 1944 N THR B 109 25.233 -2.841 26.286 1.00 17.11 N ATOM 1945 CA THR B 109 26.231 -1.813 26.605 1.00 16.89 C ATOM 1946 C THR B 109 27.031 -1.452 25.359 1.00 15.41 C ATOM 1947 O THR B 109 27.284 -2.282 24.543 1.00 16.39 O ATOM 1948 CB THR B 109 27.258 -2.341 27.701 1.00 16.33 C ATOM 1949 OG1 THR B 109 28.405 -1.498 27.848 1.00 21.74 O ATOM 1950 CG2 THR B 109 27.820 -3.698 27.342 1.00 19.05 C ATOM 1951 HG1 THR B 109 29.004 -1.876 28.540 1.00 0.00 H ATOM 1952 H THR B 109 25.612 -3.684 25.809 1.00 0.00 H ATOM 1953 N PHE B 110 27.333 -0.068 25.308 1.00 12.68 N ATOM 1954 CA PHE B 110 28.270 0.488 24.356 1.00 11.94 C ATOM 1955 C PHE B 110 28.710 1.878 24.825 1.00 11.08 C ATOM 1956 O PHE B 110 28.172 2.399 25.727 1.00 12.05 O ATOM 1957 CB PHE B 110 27.718 0.532 22.900 1.00 12.22 C ATOM 1958 CG PHE B 110 26.638 1.546 22.662 1.00 11.78 C ATOM 1959 CD1 PHE B 110 25.330 1.267 22.937 1.00 13.06 C ATOM 1960 CD2 PHE B 110 26.953 2.759 22.161 1.00 12.34 C ATOM 1961 CE1 PHE B 110 24.364 2.205 22.694 1.00 13.20 C ATOM 1962 CE2 PHE B 110 25.997 3.696 21.934 1.00 13.28 C ATOM 1963 CZ PHE B 110 24.704 3.416 22.208 1.00 13.38 C ATOM 1964 H PHE B 110 26.863 0.572 25.980 1.00 0.00 H ATOM 1965 N PHE B 111 29.714 2.437 24.158 1.00 10.24 N ATOM 1966 CA PHE B 111 30.200 3.751 24.467 1.00 10.32 C ATOM 1967 C PHE B 111 30.018 4.700 23.307 1.00 10.17 C ATOM 1968 O PHE B 111 30.200 4.289 22.144 1.00 11.56 O ATOM 1969 CB PHE B 111 31.701 3.698 24.789 1.00 10.76 C ATOM 1970 CG PHE B 111 31.987 3.053 26.104 1.00 11.05 C ATOM 1971 CD1 PHE B 111 32.091 1.670 26.178 1.00 11.80 C ATOM 1972 CD2 PHE B 111 32.147 3.801 27.224 1.00 11.78 C ATOM 1973 CE1 PHE B 111 32.340 1.085 27.417 1.00 12.99 C ATOM 1974 CE2 PHE B 111 32.424 3.206 28.465 1.00 13.38 C ATOM 1975 CZ PHE B 111 32.512 1.848 28.499 1.00 12.88 C ATOM 1976 H PHE B 111 30.163 1.904 23.386 1.00 0.00 H ATOM 1977 N GLY B 112 29.762 5.942 23.598 1.00 9.97 N ATOM 1978 CA GLY B 112 29.862 7.011 22.599 1.00 10.27 C ATOM 1979 C GLY B 112 30.953 7.935 23.024 1.00 10.24 C ATOM 1980 O GLY B 112 30.834 8.634 24.027 1.00 10.49 O ATOM 1981 H GLY B 112 29.478 6.184 24.569 1.00 0.00 H ATOM 1982 N LEU B 113 32.072 7.929 22.307 1.00 9.82 N ATOM 1983 CA LEU B 113 33.269 8.659 22.714 1.00 10.57 C ATOM 1984 C LEU B 113 33.519 9.840 21.807 1.00 10.42 C ATOM 1985 O LEU B 113 33.264 9.780 20.569 1.00 11.76 O ATOM 1986 CB LEU B 113 34.491 7.744 22.720 1.00 11.01 C ATOM 1987 CG LEU B 113 34.386 6.548 23.635 1.00 11.39 C ATOM 1988 CD1 LEU B 113 35.649 5.689 23.588 1.00 12.65 C ATOM 1989 CD2 LEU B 113 34.023 6.902 25.039 1.00 11.56 C ATOM 1990 H LEU B 113 32.096 7.383 21.422 1.00 0.00 H ATOM 1991 N ILE B 114 33.981 10.941 22.361 1.00 10.79 N ATOM 1992 CA ILE B 114 34.184 12.181 21.606 1.00 11.33 C ATOM 1993 C ILE B 114 35.452 12.065 20.773 1.00 11.43 C ATOM 1994 O ILE B 114 36.581 12.027 21.316 1.00 12.36 O ATOM 1995 CB ILE B 114 34.245 13.343 22.549 1.00 12.39 C ATOM 1996 CG1 ILE B 114 32.958 13.453 23.391 1.00 12.58 C ATOM 1997 CG2 ILE B 114 34.550 14.676 21.813 1.00 13.33 C ATOM 1998 CD1 ILE B 114 33.065 14.358 24.605 1.00 13.52 C ATOM 1999 H ILE B 114 34.211 10.931 23.375 1.00 0.00 H ATOM 2000 N LYS B 115 35.315 12.014 19.457 1.00 11.93 N ATOM 2001 CA LYS B 115 36.436 11.767 18.570 1.00 12.34 C ATOM 2002 C LYS B 115 37.568 12.741 18.764 1.00 12.69 C ATOM 2003 O LYS B 115 38.719 12.275 18.808 1.00 13.74 O ATOM 2004 CB LYS B 115 35.934 11.829 17.110 1.00 13.19 C ATOM 2005 CG LYS B 115 37.016 11.640 16.034 1.00 14.94 C ATOM 2006 CD LYS B 115 37.756 10.341 16.076 1.00 15.22 C ATOM 2007 CE LYS B 115 38.667 10.194 14.836 1.00 17.13 C ATOM 2008 NZ LYS B 115 39.692 11.206 14.708 1.00 17.90 N ATOM 2009 HZ1 LYS B 115 39.246 12.143 14.642 1.00 0.00 H ATOM 2010 HZ2 LYS B 115 40.314 11.175 15.541 1.00 0.00 H ATOM 2011 HZ3 LYS B 115 40.251 11.025 13.850 1.00 0.00 H ATOM 2012 H LYS B 115 34.371 12.156 19.045 1.00 0.00 H ATOM 2013 N ASP B 116 37.269 14.019 18.933 1.00 12.52 N ATOM 2014 CA ASP B 116 38.325 15.046 19.137 1.00 14.71 C ATOM 2015 C ASP B 116 39.119 14.922 20.400 1.00 14.98 C ATOM 2016 O ASP B 116 40.175 15.533 20.513 1.00 17.32 O ATOM 2017 CB ASP B 116 37.723 16.472 19.111 1.00 17.80 C ATOM 2018 CG ASP B 116 37.114 16.871 17.826 1.00 21.42 C ATOM 2019 OD1 ASP B 116 37.489 16.359 16.750 1.00 22.57 O ATOM 2020 OD2 ASP B 116 36.254 17.823 17.906 1.00 24.24 O ATOM 2021 H ASP B 116 36.271 14.312 18.923 1.00 0.00 H ATOM 2022 N ARG B 117 38.646 14.115 21.327 1.00 13.97 N ATOM 2023 CA ARG B 117 39.344 13.891 22.628 1.00 14.61 C ATOM 2024 C ARG B 117 40.148 12.616 22.661 1.00 13.59 C ATOM 2025 O ARG B 117 40.744 12.297 23.679 1.00 13.60 O ATOM 2026 CB ARG B 117 38.319 13.913 23.750 1.00 16.78 C ATOM 2027 CG ARG B 117 37.574 15.196 23.828 1.00 20.84 C ATOM 2028 CD ARG B 117 37.888 15.980 25.085 1.00 25.09 C ATOM 2029 NE ARG B 117 37.314 17.317 25.045 1.00 31.06 N ATOM 2030 CZ ARG B 117 36.185 17.710 25.620 1.00 32.99 C ATOM 2031 NH1 ARG B 117 35.415 16.903 26.317 1.00 29.13 N ATOM 2032 NH2 ARG B 117 35.815 18.981 25.467 1.00 38.11 N ATOM 2033 HE ARG B 117 37.842 18.037 24.512 1.00 0.00 H ATOM 2034 HH12 ARG B 117 34.539 17.263 26.747 1.00 0.00 H ATOM 2035 HH11 ARG B 117 35.682 15.905 26.438 1.00 0.00 H ATOM 2036 HH22 ARG B 117 34.935 19.323 25.904 1.00 0.00 H ATOM 2037 HH21 ARG B 117 36.406 19.631 24.910 1.00 0.00 H ATOM 2038 H ARG B 117 37.752 13.615 21.146 1.00 0.00 H ATOM 2039 N LEU B 118 40.199 11.913 21.533 1.00 12.81 N ATOM 2040 CA LEU B 118 40.950 10.702 21.377 1.00 13.34 C ATOM 2041 C LEU B 118 42.061 10.898 20.337 1.00 13.33 C ATOM 2042 O LEU B 118 41.937 11.795 19.500 1.00 14.81 O ATOM 2043 CB LEU B 118 40.045 9.572 20.921 1.00 14.09 C ATOM 2044 CG LEU B 118 38.855 9.216 21.810 1.00 14.67 C ATOM 2045 CD1 LEU B 118 38.003 8.229 21.095 1.00 15.79 C ATOM 2046 CD2 LEU B 118 39.408 8.653 23.114 1.00 15.55 C ATOM 2047 H LEU B 118 39.661 12.263 20.715 1.00 0.00 H ATOM 2048 N ALA B 119 43.084 10.095 20.432 1.00 12.70 N ATOM 2049 CA ALA B 119 44.147 10.055 19.400 1.00 13.55 C ATOM 2050 C ALA B 119 44.268 8.660 18.939 1.00 13.99 C ATOM 2051 O ALA B 119 44.481 7.735 19.711 1.00 14.96 O ATOM 2052 CB ALA B 119 45.481 10.490 20.029 1.00 15.09 C ATOM 2053 H ALA B 119 43.156 9.464 21.256 1.00 0.00 H ATOM 2054 N GLU B 120 44.210 8.446 17.622 1.00 14.08 N ATOM 2055 CA GLU B 120 44.324 7.116 17.034 1.00 15.40 C ATOM 2056 C GLU B 120 45.763 6.842 16.634 1.00 15.73 C ATOM 2057 O GLU B 120 46.456 7.743 16.088 1.00 15.72 O ATOM 2058 CB GLU B 120 43.446 6.993 15.813 1.00 16.86 C ATOM 2059 CG GLU B 120 43.272 5.581 15.265 1.00 17.99 C ATOM 2060 CD GLU B 120 42.229 5.427 14.150 1.00 19.90 C ATOM 2061 OE1 GLU B 120 41.760 6.433 13.680 1.00 24.82 O ATOM 2062 OE2 GLU B 120 42.002 4.282 13.811 1.00 24.62 O ATOM 2063 H GLU B 120 44.078 9.261 16.990 1.00 0.00 H ATOM 2064 N GLY B 121 46.231 5.636 16.902 1.00 16.07 N ATOM 2065 CA GLY B 121 47.652 5.310 16.593 1.00 18.70 C ATOM 2066 C GLY B 121 47.844 3.800 16.698 1.00 21.96 C ATOM 2067 O GLY B 121 46.966 3.053 17.088 1.00 21.08 O ATOM 2068 H GLY B 121 45.611 4.917 17.327 1.00 0.00 H ATOM 2069 N PRO B 122 49.048 3.335 16.427 1.00 23.68 N ATOM 2070 CA PRO B 122 49.330 1.924 16.496 1.00 25.26 C ATOM 2071 C PRO B 122 49.312 1.381 17.908 1.00 27.80 C ATOM 2072 O PRO B 122 49.606 2.115 18.871 1.00 30.29 O ATOM 2073 CB PRO B 122 50.749 1.813 15.917 1.00 25.94 C ATOM 2074 CG PRO B 122 51.345 3.194 16.056 1.00 27.39 C ATOM 2075 CD PRO B 122 50.207 4.173 16.007 1.00 26.30 C ATOM 2076 N ALA B 123 48.951 0.110 17.999 1.00 32.73 N ATOM 2077 CA ALA B 123 48.892 -0.611 19.276 1.00 37.00 C ATOM 2078 C ALA B 123 50.298 -0.926 19.826 1.00 40.87 C ATOM 2079 O ALA B 123 51.257 -0.969 19.039 1.00 43.09 O ATOM 2080 CB ALA B 123 48.087 -1.880 19.092 1.00 38.47 C ATOM 2081 H ALA B 123 48.698 -0.399 17.128 1.00 0.00 H TER 2082 ALA B 123 ATOM 2083 N GLY C 18 24.461 11.927 -13.869 1.00 47.39 N ATOM 2084 CA GLY C 18 24.207 11.995 -12.382 1.00 48.37 C ATOM 2085 C GLY C 18 24.369 10.671 -11.641 1.00 47.27 C ATOM 2086 O GLY C 18 24.913 10.639 -10.543 1.00 47.22 O ATOM 2087 HN3 GLY C 18 23.794 11.257 -14.303 1.00 0.00 H ATOM 2088 HN2 GLY C 18 25.436 11.606 -14.039 1.00 0.00 H ATOM 2089 HN1 GLY C 18 24.328 12.870 -14.286 1.00 0.00 H ATOM 2090 N ALA C 19 23.884 9.578 -12.239 1.00 43.44 N ATOM 2091 CA ALA C 19 24.004 8.240 -11.648 1.00 40.61 C ATOM 2092 C ALA C 19 24.527 7.294 -12.708 1.00 36.81 C ATOM 2093 O ALA C 19 23.903 6.341 -13.096 1.00 40.63 O ATOM 2094 CB ALA C 19 22.669 7.764 -11.119 1.00 43.55 C ATOM 2095 H ALA C 19 23.404 9.680 -13.156 1.00 0.00 H ATOM 2096 N SER C 20 25.725 7.583 -13.157 1.00 29.54 N ATOM 2097 CA SER C 20 26.338 6.986 -14.290 1.00 27.56 C ATOM 2098 C SER C 20 27.571 6.126 -13.973 1.00 24.43 C ATOM 2099 O SER C 20 27.867 5.140 -14.667 1.00 22.57 O ATOM 2100 CB SER C 20 26.728 8.128 -15.194 1.00 31.58 C ATOM 2101 OG SER C 20 27.399 7.661 -16.335 1.00 33.82 O ATOM 2102 HG SER C 20 28.219 7.179 -16.060 1.00 0.00 H ATOM 2103 H SER C 20 26.268 8.306 -12.643 1.00 0.00 H ATOM 2104 N ILE C 21 28.334 6.521 -12.976 1.00 20.17 N ATOM 2105 CA ILE C 21 29.536 5.791 -12.532 1.00 19.52 C ATOM 2106 C ILE C 21 29.362 5.384 -11.079 1.00 18.32 C ATOM 2107 O ILE C 21 28.741 6.118 -10.264 1.00 18.56 O ATOM 2108 CB ILE C 21 30.785 6.648 -12.661 1.00 20.10 C ATOM 2109 CG1 ILE C 21 30.992 7.141 -14.085 1.00 22.72 C ATOM 2110 CG2 ILE C 21 31.994 5.955 -12.112 1.00 19.99 C ATOM 2111 CD1 ILE C 21 31.253 6.057 -15.070 1.00 24.07 C ATOM 2112 H ILE C 21 28.075 7.395 -12.474 1.00 0.00 H ATOM 2113 N PHE C 22 29.745 4.154 -10.783 1.00 16.72 N ATOM 2114 CA PHE C 22 29.600 3.556 -9.463 1.00 16.56 C ATOM 2115 C PHE C 22 30.973 3.358 -8.867 1.00 16.68 C ATOM 2116 O PHE C 22 31.834 2.836 -9.489 1.00 16.26 O ATOM 2117 CB PHE C 22 28.885 2.217 -9.577 1.00 16.91 C ATOM 2118 CG PHE C 22 27.495 2.340 -10.122 1.00 19.37 C ATOM 2119 CD1 PHE C 22 27.285 2.411 -11.478 1.00 20.17 C ATOM 2120 CD2 PHE C 22 26.411 2.406 -9.282 1.00 20.98 C ATOM 2121 CE1 PHE C 22 26.024 2.551 -11.997 1.00 21.35 C ATOM 2122 CE2 PHE C 22 25.143 2.531 -9.811 1.00 23.19 C ATOM 2123 CZ PHE C 22 24.956 2.618 -11.161 1.00 23.29 C ATOM 2124 H PHE C 22 30.175 3.580 -11.536 1.00 0.00 H ATOM 2125 N ARG C 23 31.116 3.790 -7.623 1.00 17.37 N ATOM 2126 CA ARG C 23 32.385 3.763 -6.915 1.00 18.13 C ATOM 2127 C ARG C 23 32.203 3.263 -5.505 1.00 17.75 C ATOM 2128 O ARG C 23 31.167 3.312 -4.966 1.00 18.77 O ATOM 2129 CB ARG C 23 32.908 5.184 -6.776 1.00 21.13 C ATOM 2130 CG ARG C 23 32.959 5.975 -8.034 1.00 24.95 C ATOM 2131 CD ARG C 23 33.117 7.443 -7.706 1.00 27.55 C ATOM 2132 NE ARG C 23 33.297 7.998 -8.979 1.00 30.69 N ATOM 2133 CZ ARG C 23 34.398 7.826 -9.618 1.00 28.89 C ATOM 2134 NH1 ARG C 23 35.422 7.198 -9.003 1.00 29.99 N ATOM 2135 NH2 ARG C 23 34.477 8.310 -10.819 1.00 32.62 N ATOM 2136 HE ARG C 23 32.532 8.555 -9.411 1.00 0.00 H ATOM 2137 HH12 ARG C 23 36.320 7.051 -9.507 1.00 0.00 H ATOM 2138 HH11 ARG C 23 35.313 6.861 -8.025 1.00 0.00 H ATOM 2139 HH22 ARG C 23 35.351 8.193 -11.371 1.00 0.00 H ATOM 2140 HH21 ARG C 23 33.666 8.815 -11.230 1.00 0.00 H ATOM 2141 H ARG C 23 30.281 4.166 -7.130 1.00 0.00 H ATOM 2142 N CYS C 24 33.274 2.804 -4.924 1.00 16.48 N ATOM 2143 CA CYS C 24 33.258 2.360 -3.567 1.00 16.55 C ATOM 2144 C CYS C 24 32.864 3.522 -2.630 1.00 17.10 C ATOM 2145 O CYS C 24 33.408 4.550 -2.666 1.00 17.50 O ATOM 2146 CB CYS C 24 34.661 1.846 -3.216 1.00 14.67 C ATOM 2147 SG CYS C 24 34.843 1.437 -1.416 1.00 15.86 S ATOM 2148 H CYS C 24 34.163 2.760 -5.462 1.00 0.00 H ATOM 2149 N ARG C 25 31.887 3.275 -1.782 1.00 18.87 N ATOM 2150 CA ARG C 25 31.422 4.294 -0.850 1.00 22.57 C ATOM 2151 C ARG C 25 32.482 4.709 0.158 1.00 23.49 C ATOM 2152 O ARG C 25 32.499 5.865 0.610 1.00 25.02 O ATOM 2153 CB ARG C 25 30.188 3.740 -0.106 1.00 24.64 C ATOM 2154 CG ARG C 25 29.752 4.435 1.137 1.00 26.51 C ATOM 2155 CD ARG C 25 28.539 3.803 1.677 1.00 29.14 C ATOM 2156 NE ARG C 25 28.066 4.540 2.840 1.00 31.94 N ATOM 2157 CZ ARG C 25 26.890 4.324 3.437 1.00 35.07 C ATOM 2158 NH1 ARG C 25 26.049 3.403 3.004 1.00 35.60 N ATOM 2159 NH2 ARG C 25 26.518 5.068 4.463 1.00 36.46 N ATOM 2160 HE ARG C 25 28.682 5.281 3.231 1.00 0.00 H ATOM 2161 HH12 ARG C 25 25.141 3.258 3.490 1.00 0.00 H ATOM 2162 HH11 ARG C 25 26.295 2.822 2.177 1.00 0.00 H ATOM 2163 HH22 ARG C 25 25.602 4.897 4.925 1.00 0.00 H ATOM 2164 HH21 ARG C 25 27.141 5.825 4.809 1.00 0.00 H ATOM 2165 H ARG C 25 31.440 2.336 -1.778 1.00 0.00 H ATOM 2166 N GLN C 26 33.315 3.777 0.564 1.00 22.23 N ATOM 2167 CA GLN C 26 34.312 4.049 1.633 1.00 23.17 C ATOM 2168 C GLN C 26 35.509 4.841 1.183 1.00 24.00 C ATOM 2169 O GLN C 26 36.048 5.659 1.941 1.00 26.11 O ATOM 2170 CB GLN C 26 34.728 2.749 2.248 1.00 25.31 C ATOM 2171 CG GLN C 26 33.613 2.107 2.970 1.00 29.12 C ATOM 2172 CD GLN C 26 33.063 2.975 4.087 1.00 30.89 C ATOM 2173 OE1 GLN C 26 33.808 3.624 4.821 1.00 34.93 O ATOM 2174 NE2 GLN C 26 31.736 3.033 4.169 1.00 32.47 N ATOM 2175 HE22 GLN C 26 31.150 2.464 3.525 1.00 0.00 H ATOM 2176 HE21 GLN C 26 31.285 3.647 4.877 1.00 0.00 H ATOM 2177 H GLN C 26 33.276 2.833 0.130 1.00 0.00 H ATOM 2178 N CYS C 27 35.972 4.633 -0.054 1.00 20.46 N ATOM 2179 CA CYS C 27 37.199 5.266 -0.496 1.00 19.89 C ATOM 2180 C CYS C 27 37.145 5.911 -1.868 1.00 20.53 C ATOM 2181 O CYS C 27 38.079 6.587 -2.232 1.00 23.26 O ATOM 2182 CB CYS C 27 38.313 4.223 -0.476 1.00 18.16 C ATOM 2183 SG CYS C 27 38.290 3.048 -1.879 1.00 16.44 S ATOM 2184 H CYS C 27 35.448 4.013 -0.704 1.00 0.00 H ATOM 2185 N GLY C 28 36.101 5.673 -2.643 1.00 19.80 N ATOM 2186 CA GLY C 28 35.983 6.293 -3.953 1.00 19.60 C ATOM 2187 C GLY C 28 36.519 5.554 -5.155 1.00 18.28 C ATOM 2188 O GLY C 28 36.398 6.032 -6.276 1.00 19.38 O ATOM 2189 H GLY C 28 35.352 5.032 -2.311 1.00 0.00 H ATOM 2190 N GLN C 29 37.112 4.368 -4.947 1.00 16.96 N ATOM 2191 CA GLN C 29 37.587 3.573 -6.052 1.00 15.96 C ATOM 2192 C GLN C 29 36.515 3.380 -7.128 1.00 16.18 C ATOM 2193 O GLN C 29 35.388 2.997 -6.814 1.00 15.88 O ATOM 2194 CB GLN C 29 37.987 2.200 -5.511 1.00 15.93 C ATOM 2195 CG GLN C 29 38.346 1.105 -6.535 1.00 16.09 C ATOM 2196 CD GLN C 29 39.784 1.065 -6.910 1.00 17.47 C ATOM 2197 OE1 GLN C 29 40.357 2.089 -7.095 1.00 19.62 O ATOM 2198 NE2 GLN C 29 40.408 -0.075 -6.933 1.00 18.16 N ATOM 2199 HE22 GLN C 29 39.884 -0.958 -6.768 1.00 0.00 H ATOM 2200 HE21 GLN C 29 41.431 -0.104 -7.116 1.00 0.00 H ATOM 2201 H GLN C 29 37.231 4.018 -3.975 1.00 0.00 H ATOM 2202 N THR C 30 36.884 3.592 -8.379 1.00 15.85 N ATOM 2203 CA THR C 30 35.930 3.414 -9.472 1.00 16.51 C ATOM 2204 C THR C 30 35.698 1.931 -9.652 1.00 15.77 C ATOM 2205 O THR C 30 36.672 1.169 -9.725 1.00 16.81 O ATOM 2206 CB THR C 30 36.496 4.000 -10.770 1.00 18.30 C ATOM 2207 OG1 THR C 30 36.889 5.359 -10.512 1.00 22.91 O ATOM 2208 CG2 THR C 30 35.493 3.953 -11.864 1.00 20.54 C ATOM 2209 HG1 THR C 30 37.258 5.757 -11.340 1.00 0.00 H ATOM 2210 H THR C 30 37.859 3.887 -8.587 1.00 0.00 H ATOM 2211 N ILE C 31 34.444 1.508 -9.761 1.00 14.65 N ATOM 2212 CA ILE C 31 34.102 0.062 -9.891 1.00 14.94 C ATOM 2213 C ILE C 31 33.364 -0.267 -11.178 1.00 15.92 C ATOM 2214 O ILE C 31 33.740 -1.235 -11.882 1.00 16.43 O ATOM 2215 CB ILE C 31 33.273 -0.406 -8.687 1.00 14.95 C ATOM 2216 CG1 ILE C 31 33.939 -0.106 -7.349 1.00 15.91 C ATOM 2217 CG2 ILE C 31 32.902 -1.885 -8.814 1.00 15.37 C ATOM 2218 CD1 ILE C 31 35.252 -0.842 -7.141 1.00 16.39 C ATOM 2219 H ILE C 31 33.675 2.208 -9.756 1.00 0.00 H ATOM 2220 N SER C 32 32.271 0.443 -11.510 1.00 15.40 N ATOM 2221 CA SER C 32 31.552 0.071 -12.737 1.00 16.13 C ATOM 2222 C SER C 32 30.773 1.296 -13.237 1.00 16.03 C ATOM 2223 O SER C 32 30.937 2.407 -12.775 1.00 16.08 O ATOM 2224 CB SER C 32 30.691 -1.145 -12.519 1.00 16.91 C ATOM 2225 OG SER C 32 30.270 -1.657 -13.794 1.00 18.90 O ATOM 2226 HG SER C 32 31.066 -1.903 -14.329 1.00 0.00 H ATOM 2227 H SER C 32 31.944 1.232 -10.916 1.00 0.00 H ATOM 2228 N ARG C 33 29.925 1.033 -14.241 1.00 18.67 N ATOM 2229 CA ARG C 33 29.333 2.079 -15.085 1.00 21.19 C ATOM 2230 C ARG C 33 27.920 1.615 -15.387 1.00 20.87 C ATOM 2231 O ARG C 33 27.645 0.428 -15.585 1.00 19.04 O ATOM 2232 CB ARG C 33 30.067 2.151 -16.437 1.00 26.33 C ATOM 2233 CG ARG C 33 31.552 2.344 -16.385 1.00 30.81 C ATOM 2234 CD ARG C 33 32.165 2.623 -17.752 1.00 34.94 C ATOM 2235 NE ARG C 33 31.379 3.466 -18.643 1.00 40.51 N ATOM 2236 CZ ARG C 33 31.460 4.791 -18.744 1.00 48.97 C ATOM 2237 NH1 ARG C 33 30.664 5.416 -19.622 1.00 52.88 N ATOM 2238 NH2 ARG C 33 32.312 5.523 -18.019 1.00 50.92 N ATOM 2239 HE ARG C 33 30.690 2.988 -19.258 1.00 0.00 H ATOM 2240 HH12 ARG C 33 30.709 6.450 -19.719 1.00 0.00 H ATOM 2241 HH11 ARG C 33 30.002 4.867 -20.206 1.00 0.00 H ATOM 2242 HH22 ARG C 33 32.338 6.556 -18.134 1.00 0.00 H ATOM 2243 HH21 ARG C 33 32.949 5.059 -17.340 1.00 0.00 H ATOM 2244 H ARG C 33 29.674 0.042 -14.431 1.00 0.00 H ATOM 2245 N ARG C 34 27.012 2.587 -15.475 1.00 20.68 N ATOM 2246 CA ARG C 34 25.649 2.314 -15.877 1.00 23.25 C ATOM 2247 C ARG C 34 25.537 1.645 -17.228 1.00 22.33 C ATOM 2248 O ARG C 34 24.632 0.815 -17.386 1.00 22.18 O ATOM 2249 CB ARG C 34 24.841 3.631 -15.834 1.00 24.79 C ATOM 2250 CG ARG C 34 23.366 3.393 -16.042 1.00 28.07 C ATOM 2251 CD ARG C 34 22.516 4.602 -15.676 1.00 31.46 C ATOM 2252 NE ARG C 34 22.383 4.743 -14.229 1.00 34.37 N ATOM 2253 CZ ARG C 34 21.468 4.163 -13.441 1.00 36.47 C ATOM 2254 NH1 ARG C 34 20.506 3.352 -13.893 1.00 37.83 N ATOM 2255 NH2 ARG C 34 21.502 4.436 -12.152 1.00 37.63 N ATOM 2256 HE ARG C 34 23.074 5.361 -13.758 1.00 0.00 H ATOM 2257 HH12 ARG C 34 19.825 2.932 -13.229 1.00 0.00 H ATOM 2258 HH11 ARG C 34 20.439 3.141 -14.909 1.00 0.00 H ATOM 2259 HH22 ARG C 34 20.807 4.004 -11.510 1.00 0.00 H ATOM 2260 HH21 ARG C 34 22.224 5.084 -11.777 1.00 0.00 H ATOM 2261 H ARG C 34 27.289 3.564 -15.250 1.00 0.00 H ATOM 2262 N ASP C 35 26.451 1.851 -18.134 1.00 22.19 N ATOM 2263 CA ASP C 35 26.434 1.148 -19.441 1.00 24.88 C ATOM 2264 C ASP C 35 26.495 -0.374 -19.291 1.00 22.84 C ATOM 2265 O ASP C 35 26.077 -1.124 -20.171 1.00 24.64 O ATOM 2266 CB ASP C 35 27.553 1.615 -20.361 1.00 28.93 C ATOM 2267 CG ASP C 35 27.384 3.093 -20.785 1.00 35.15 C ATOM 2268 OD1 ASP C 35 26.207 3.591 -20.777 1.00 41.14 O ATOM 2269 OD2 ASP C 35 28.413 3.761 -21.116 1.00 43.28 O ATOM 2270 H ASP C 35 27.215 2.528 -17.935 1.00 0.00 H ATOM 2271 N TRP C 36 27.041 -0.832 -18.174 1.00 20.36 N ATOM 2272 CA TRP C 36 27.249 -2.268 -17.924 1.00 21.06 C ATOM 2273 C TRP C 36 26.200 -2.867 -17.029 1.00 21.05 C ATOM 2274 O TRP C 36 26.265 -4.057 -16.719 1.00 20.63 O ATOM 2275 CB TRP C 36 28.665 -2.469 -17.332 1.00 23.09 C ATOM 2276 CG TRP C 36 29.817 -1.951 -18.190 1.00 26.31 C ATOM 2277 CD1 TRP C 36 29.809 -1.773 -19.546 1.00 31.10 C ATOM 2278 CD2 TRP C 36 31.090 -1.481 -17.736 1.00 30.53 C ATOM 2279 NE1 TRP C 36 31.011 -1.282 -19.952 1.00 32.23 N ATOM 2280 CE2 TRP C 36 31.833 -1.151 -18.869 1.00 33.32 C ATOM 2281 CE3 TRP C 36 31.739 -1.515 -16.505 1.00 33.41 C ATOM 2282 CZ2 TRP C 36 33.180 -0.732 -18.791 1.00 35.86 C ATOM 2283 CZ3 TRP C 36 33.082 -1.159 -16.419 1.00 36.57 C ATOM 2284 CH2 TRP C 36 33.776 -0.745 -17.558 1.00 37.23 C ATOM 2285 HE1 TRP C 36 31.264 -1.044 -20.932 1.00 0.00 H ATOM 2286 H TRP C 36 27.334 -0.150 -17.445 1.00 0.00 H ATOM 2287 N LEU C 37 25.244 -2.061 -16.592 1.00 19.99 N ATOM 2288 CA LEU C 37 24.222 -2.510 -15.685 1.00 22.80 C ATOM 2289 C LEU C 37 23.275 -3.361 -16.445 1.00 23.96 C ATOM 2290 O LEU C 37 22.832 -3.013 -17.592 1.00 25.18 O ATOM 2291 CB LEU C 37 23.577 -1.280 -15.036 1.00 25.42 C ATOM 2292 CG LEU C 37 22.570 -1.268 -13.938 1.00 27.69 C ATOM 2293 CD1 LEU C 37 23.104 -1.992 -12.739 1.00 27.07 C ATOM 2294 CD2 LEU C 37 22.278 0.177 -13.537 1.00 28.81 C ATOM 2295 H LEU C 37 25.232 -1.072 -16.915 1.00 0.00 H ATOM 2296 N LEU C 38 22.879 -4.471 -15.834 1.00 22.70 N ATOM 2297 CA LEU C 38 21.965 -5.416 -16.457 1.00 25.36 C ATOM 2298 C LEU C 38 20.555 -5.280 -15.876 1.00 26.81 C ATOM 2299 O LEU C 38 20.360 -5.580 -14.717 1.00 28.65 O ATOM 2300 CB LEU C 38 22.473 -6.828 -16.227 1.00 25.96 C ATOM 2301 CG LEU C 38 23.824 -7.152 -16.889 1.00 26.39 C ATOM 2302 CD1 LEU C 38 24.467 -8.427 -16.376 1.00 27.32 C ATOM 2303 CD2 LEU C 38 23.677 -7.271 -18.393 1.00 29.37 C ATOM 2304 H LEU C 38 23.234 -4.672 -14.877 1.00 0.00 H ATOM 2305 N PRO C 39 19.607 -4.764 -16.661 1.00 28.24 N ATOM 2306 CA PRO C 39 18.201 -4.730 -16.207 1.00 28.58 C ATOM 2307 C PRO C 39 17.489 -6.114 -16.206 1.00 27.77 C ATOM 2308 O PRO C 39 17.893 -6.968 -16.953 1.00 25.77 O ATOM 2309 CB PRO C 39 17.561 -3.837 -17.253 1.00 30.83 C ATOM 2310 CG PRO C 39 18.313 -4.128 -18.506 1.00 30.03 C ATOM 2311 CD PRO C 39 19.745 -4.194 -18.014 1.00 29.26 C ATOM 2312 N MET C 40 16.532 -6.297 -15.299 1.00 28.38 N ATOM 2313 CA MET C 40 15.604 -7.424 -15.388 1.00 27.81 C ATOM 2314 C MET C 40 14.276 -6.742 -15.512 1.00 26.84 C ATOM 2315 O MET C 40 13.766 -6.190 -14.580 1.00 25.52 O ATOM 2316 CB MET C 40 15.655 -8.335 -14.160 1.00 30.56 C ATOM 2317 CG MET C 40 14.820 -9.585 -14.326 1.00 31.65 C ATOM 2318 SD MET C 40 14.634 -10.545 -12.814 1.00 38.76 S ATOM 2319 CE MET C 40 16.226 -11.345 -12.979 1.00 37.06 C ATOM 2320 H MET C 40 16.442 -5.625 -14.511 1.00 0.00 H ATOM 2321 N GLY C 41 13.692 -6.844 -16.688 1.00 25.95 N ATOM 2322 CA GLY C 41 12.387 -6.139 -16.958 1.00 26.20 C ATOM 2323 C GLY C 41 12.583 -4.634 -16.740 1.00 26.65 C ATOM 2324 O GLY C 41 13.495 -4.010 -17.331 1.00 26.80 O ATOM 2325 H GLY C 41 14.134 -7.415 -17.436 1.00 0.00 H ATOM 2326 N GLY C 42 11.801 -4.068 -15.833 1.00 26.75 N ATOM 2327 CA GLY C 42 11.878 -2.619 -15.508 1.00 28.64 C ATOM 2328 C GLY C 42 12.792 -2.284 -14.340 1.00 30.95 C ATOM 2329 O GLY C 42 12.989 -1.139 -13.986 1.00 33.78 O ATOM 2330 H GLY C 42 11.108 -4.658 -15.330 1.00 0.00 H ATOM 2331 N ASP C 43 13.451 -3.290 -13.768 1.00 29.59 N ATOM 2332 CA ASP C 43 14.274 -3.151 -12.568 1.00 30.29 C ATOM 2333 C ASP C 43 15.768 -3.209 -12.781 1.00 31.30 C ATOM 2334 O ASP C 43 16.287 -4.072 -13.439 1.00 33.23 O ATOM 2335 CB ASP C 43 13.936 -4.294 -11.614 1.00 29.76 C ATOM 2336 CG ASP C 43 12.491 -4.259 -11.151 1.00 31.10 C ATOM 2337 OD1 ASP C 43 11.912 -3.156 -11.101 1.00 34.12 O ATOM 2338 OD2 ASP C 43 11.990 -5.315 -10.746 1.00 33.46 O ATOM 2339 H ASP C 43 13.375 -4.232 -14.202 1.00 0.00 H ATOM 2340 N HIS C 44 16.413 -2.179 -12.268 1.00 29.13 N ATOM 2341 CA HIS C 44 17.847 -2.106 -12.316 1.00 32.49 C ATOM 2342 C HIS C 44 18.450 -2.654 -11.058 1.00 29.20 C ATOM 2343 O HIS C 44 19.649 -2.924 -11.049 1.00 28.68 O ATOM 2344 CB HIS C 44 18.309 -0.642 -12.652 1.00 35.92 C ATOM 2345 CG HIS C 44 18.126 -0.312 -14.108 1.00 41.29 C ATOM 2346 ND1 HIS C 44 17.123 0.514 -14.588 1.00 47.24 N ATOM 2347 CD2 HIS C 44 18.812 -0.744 -15.196 1.00 45.07 C ATOM 2348 CE1 HIS C 44 17.197 0.565 -15.905 1.00 47.89 C ATOM 2349 NE2 HIS C 44 18.217 -0.179 -16.301 1.00 47.98 N ATOM 2350 H HIS C 44 15.875 -1.408 -11.822 1.00 0.00 H ATOM 2351 N GLU C 45 17.699 -2.735 -9.978 1.00 28.23 N ATOM 2352 CA GLU C 45 18.229 -3.198 -8.697 1.00 29.31 C ATOM 2353 C GLU C 45 17.295 -4.311 -8.282 1.00 30.03 C ATOM 2354 O GLU C 45 16.088 -4.384 -8.672 1.00 28.77 O ATOM 2355 CB GLU C 45 18.384 -2.027 -7.694 1.00 33.00 C ATOM 2356 CG GLU C 45 17.236 -1.096 -7.539 1.00 35.96 C ATOM 2357 CD GLU C 45 17.638 0.116 -6.684 1.00 37.48 C ATOM 2358 OE1 GLU C 45 18.349 1.025 -7.174 1.00 37.14 O ATOM 2359 OE2 GLU C 45 17.224 0.185 -5.514 1.00 40.24 O ATOM 2360 H GLU C 45 16.698 -2.461 -10.039 1.00 0.00 H ATOM 2361 N HIS C 46 17.820 -5.229 -7.485 1.00 29.30 N ATOM 2362 CA HIS C 46 17.045 -6.352 -6.923 1.00 31.22 C ATOM 2363 C HIS C 46 17.109 -6.386 -5.430 1.00 30.51 C ATOM 2364 O HIS C 46 18.179 -6.335 -4.903 1.00 26.62 O ATOM 2365 CB HIS C 46 17.642 -7.599 -7.551 1.00 32.07 C ATOM 2366 CG HIS C 46 17.849 -7.449 -9.017 1.00 35.11 C ATOM 2367 ND1 HIS C 46 19.094 -7.302 -9.596 1.00 37.62 N ATOM 2368 CD2 HIS C 46 16.947 -7.294 -10.011 1.00 37.24 C ATOM 2369 CE1 HIS C 46 18.943 -7.137 -10.898 1.00 37.35 C ATOM 2370 NE2 HIS C 46 17.651 -7.118 -11.173 1.00 38.06 N ATOM 2371 H HIS C 46 18.829 -5.155 -7.243 1.00 0.00 H ATOM 2372 N VAL C 47 15.985 -6.568 -4.748 1.00 30.15 N ATOM 2373 CA VAL C 47 15.957 -6.704 -3.305 1.00 31.51 C ATOM 2374 C VAL C 47 16.165 -8.205 -2.995 1.00 31.58 C ATOM 2375 O VAL C 47 15.484 -9.089 -3.531 1.00 32.70 O ATOM 2376 CB VAL C 47 14.591 -6.249 -2.768 1.00 34.73 C ATOM 2377 CG1 VAL C 47 14.468 -6.475 -1.256 1.00 36.36 C ATOM 2378 CG2 VAL C 47 14.355 -4.778 -3.099 1.00 36.32 C ATOM 2379 H VAL C 47 15.087 -6.615 -5.271 1.00 0.00 H ATOM 2380 N VAL C 48 17.151 -8.450 -2.161 1.00 27.74 N ATOM 2381 CA VAL C 48 17.524 -9.799 -1.764 1.00 28.69 C ATOM 2382 C VAL C 48 17.735 -9.828 -0.280 1.00 27.76 C ATOM 2383 O VAL C 48 17.877 -8.760 0.362 1.00 28.63 O ATOM 2384 CB VAL C 48 18.809 -10.250 -2.488 1.00 27.25 C ATOM 2385 CG1 VAL C 48 18.573 -10.313 -3.989 1.00 27.02 C ATOM 2386 CG2 VAL C 48 20.010 -9.380 -2.226 1.00 28.22 C ATOM 2387 H VAL C 48 17.685 -7.648 -1.770 1.00 0.00 H ATOM 2388 N PHE C 49 17.817 -11.035 0.294 1.00 29.97 N ATOM 2389 CA PHE C 49 17.955 -11.152 1.759 1.00 31.37 C ATOM 2390 C PHE C 49 19.215 -12.026 2.017 1.00 29.03 C ATOM 2391 O PHE C 49 19.271 -13.087 1.426 1.00 29.99 O ATOM 2392 CB PHE C 49 16.688 -11.850 2.276 1.00 34.84 C ATOM 2393 CG PHE C 49 15.422 -11.052 2.164 1.00 38.08 C ATOM 2394 CD1 PHE C 49 14.645 -11.073 1.017 1.00 41.42 C ATOM 2395 CD2 PHE C 49 14.988 -10.316 3.256 1.00 43.19 C ATOM 2396 CE1 PHE C 49 13.486 -10.323 0.934 1.00 43.24 C ATOM 2397 CE2 PHE C 49 13.803 -9.593 3.211 1.00 45.51 C ATOM 2398 CZ PHE C 49 13.047 -9.586 2.031 1.00 46.66 C ATOM 2399 H PHE C 49 17.783 -11.892 -0.294 1.00 0.00 H ATOM 2400 N ASN C 50 20.078 -11.618 2.943 1.00 28.07 N ATOM 2401 CA ASN C 50 21.130 -12.475 3.428 1.00 27.13 C ATOM 2402 C ASN C 50 20.480 -13.637 4.224 1.00 27.36 C ATOM 2403 O ASN C 50 19.241 -13.661 4.416 1.00 26.83 O ATOM 2404 CB ASN C 50 22.178 -11.669 4.165 1.00 28.49 C ATOM 2405 CG ASN C 50 21.813 -11.278 5.597 1.00 30.59 C ATOM 2406 OD1 ASN C 50 20.720 -11.575 6.085 1.00 31.71 O ATOM 2407 ND2 ASN C 50 22.697 -10.636 6.269 1.00 32.43 N ATOM 2408 HD22 ASN C 50 23.611 -10.398 5.833 1.00 0.00 H ATOM 2409 HD21 ASN C 50 22.500 -10.353 7.250 1.00 0.00 H ATOM 2410 H ASN C 50 19.991 -10.655 3.327 1.00 0.00 H ATOM 2411 N PRO C 51 21.308 -14.612 4.665 1.00 26.17 N ATOM 2412 CA PRO C 51 20.738 -15.756 5.352 1.00 26.08 C ATOM 2413 C PRO C 51 19.942 -15.431 6.636 1.00 27.16 C ATOM 2414 O PRO C 51 19.028 -16.162 6.978 1.00 27.58 O ATOM 2415 CB PRO C 51 21.987 -16.598 5.681 1.00 25.93 C ATOM 2416 CG PRO C 51 22.946 -16.292 4.561 1.00 25.20 C ATOM 2417 CD PRO C 51 22.736 -14.811 4.342 1.00 25.32 C ATOM 2418 N ALA C 52 20.282 -14.315 7.282 1.00 27.48 N ATOM 2419 CA ALA C 52 19.614 -13.876 8.508 1.00 29.31 C ATOM 2420 C ALA C 52 18.382 -13.050 8.204 1.00 33.99 C ATOM 2421 O ALA C 52 17.725 -12.561 9.139 1.00 36.87 O ATOM 2422 CB ALA C 52 20.594 -13.088 9.343 1.00 30.10 C ATOM 2423 H ALA C 52 21.054 -13.733 6.899 1.00 0.00 H ATOM 2424 N GLY C 53 18.054 -12.890 6.926 1.00 34.11 N ATOM 2425 CA GLY C 53 16.876 -12.120 6.517 1.00 37.58 C ATOM 2426 C GLY C 53 17.016 -10.603 6.457 1.00 38.58 C ATOM 2427 O GLY C 53 16.010 -9.899 6.272 1.00 40.65 O ATOM 2428 H GLY C 53 18.651 -13.324 6.194 1.00 0.00 H ATOM 2429 N MET C 54 18.218 -10.078 6.539 1.00 38.48 N ATOM 2430 CA MET C 54 18.449 -8.643 6.298 1.00 40.34 C ATOM 2431 C MET C 54 18.374 -8.362 4.798 1.00 40.21 C ATOM 2432 O MET C 54 18.916 -9.101 4.009 1.00 38.62 O ATOM 2433 CB MET C 54 19.818 -8.231 6.823 1.00 38.73 C ATOM 2434 H MET C 54 19.024 -10.689 6.779 1.00 0.00 H ATOM 2435 N ILE C 55 17.762 -7.252 4.411 1.00 41.10 N ATOM 2436 CA ILE C 55 17.729 -6.785 3.011 1.00 40.55 C ATOM 2437 C ILE C 55 19.028 -6.145 2.474 1.00 40.47 C ATOM 2438 O ILE C 55 19.633 -5.318 3.131 1.00 40.56 O ATOM 2439 CB ILE C 55 16.517 -5.856 2.862 1.00 44.05 C ATOM 2440 CG1 ILE C 55 15.267 -6.771 2.838 1.00 45.43 C ATOM 2441 CG2 ILE C 55 16.612 -4.853 1.671 1.00 43.61 C ATOM 2442 CD1 ILE C 55 13.952 -6.159 2.398 1.00 47.49 C ATOM 2443 H ILE C 55 17.279 -6.679 5.132 1.00 0.00 H ATOM 2444 N PHE C 56 19.372 -6.496 1.241 1.00 38.07 N ATOM 2445 CA PHE C 56 20.252 -5.663 0.429 1.00 35.61 C ATOM 2446 C PHE C 56 19.522 -5.359 -0.882 1.00 32.21 C ATOM 2447 O PHE C 56 18.740 -6.140 -1.384 1.00 29.47 O ATOM 2448 CB PHE C 56 21.533 -6.366 0.051 1.00 37.51 C ATOM 2449 CG PHE C 56 22.416 -6.782 1.187 1.00 39.08 C ATOM 2450 CD1 PHE C 56 23.223 -5.859 1.864 1.00 40.56 C ATOM 2451 CD2 PHE C 56 22.696 -8.133 1.350 1.00 40.51 C ATOM 2452 CE1 PHE C 56 24.109 -6.274 2.834 1.00 40.91 C ATOM 2453 CE2 PHE C 56 23.610 -8.562 2.316 1.00 41.48 C ATOM 2454 CZ PHE C 56 24.308 -7.628 3.063 1.00 41.72 C ATOM 2455 H PHE C 56 19.006 -7.385 0.845 1.00 0.00 H ATOM 2456 N ARG C 57 19.883 -4.237 -1.468 1.00 30.08 N ATOM 2457 CA ARG C 57 19.649 -4.009 -2.912 1.00 28.50 C ATOM 2458 C ARG C 57 20.905 -4.307 -3.752 1.00 25.60 C ATOM 2459 O ARG C 57 21.959 -3.801 -3.383 1.00 26.27 O ATOM 2460 CB ARG C 57 19.134 -2.566 -3.053 1.00 31.57 C ATOM 2461 CG ARG C 57 17.646 -2.444 -2.651 1.00 36.43 C ATOM 2462 CD ARG C 57 17.231 -1.074 -2.063 1.00 39.37 C ATOM 2463 NE ARG C 57 15.770 -0.930 -2.064 1.00 42.43 N ATOM 2464 CZ ARG C 57 14.961 -1.032 -1.006 1.00 46.48 C ATOM 2465 NH1 ARG C 57 15.438 -1.269 0.213 1.00 46.74 N ATOM 2466 NH2 ARG C 57 13.646 -0.876 -1.185 1.00 47.28 N ATOM 2467 HE ARG C 57 15.320 -0.728 -2.980 1.00 0.00 H ATOM 2468 HH12 ARG C 57 14.787 -1.344 1.021 1.00 0.00 H ATOM 2469 HH11 ARG C 57 16.462 -1.379 0.358 1.00 0.00 H ATOM 2470 HH22 ARG C 57 12.998 -0.951 -0.375 1.00 0.00 H ATOM 2471 HH21 ARG C 57 13.270 -0.679 -2.135 1.00 0.00 H ATOM 2472 H ARG C 57 20.343 -3.494 -0.904 1.00 0.00 H ATOM 2473 N VAL C 58 20.798 -5.201 -4.720 1.00 22.57 N ATOM 2474 CA VAL C 58 21.924 -5.626 -5.534 1.00 21.95 C ATOM 2475 C VAL C 58 21.777 -5.096 -6.952 1.00 21.60 C ATOM 2476 O VAL C 58 20.684 -5.241 -7.541 1.00 22.24 O ATOM 2477 CB VAL C 58 22.078 -7.183 -5.550 1.00 22.48 C ATOM 2478 CG1 VAL C 58 23.098 -7.698 -6.540 1.00 23.56 C ATOM 2479 CG2 VAL C 58 22.515 -7.673 -4.168 1.00 22.74 C ATOM 2480 H VAL C 58 19.865 -5.619 -4.908 1.00 0.00 H ATOM 2481 N TRP C 59 22.842 -4.509 -7.498 1.00 20.67 N ATOM 2482 CA TRP C 59 22.947 -4.169 -8.907 1.00 21.40 C ATOM 2483 C TRP C 59 23.818 -5.185 -9.620 1.00 21.07 C ATOM 2484 O TRP C 59 24.890 -5.562 -9.096 1.00 21.03 O ATOM 2485 CB TRP C 59 23.623 -2.819 -9.050 1.00 22.38 C ATOM 2486 CG TRP C 59 22.776 -1.574 -8.849 1.00 25.23 C ATOM 2487 CD1 TRP C 59 21.599 -1.267 -9.453 1.00 27.56 C ATOM 2488 CD2 TRP C 59 23.167 -0.405 -8.124 1.00 26.60 C ATOM 2489 NE1 TRP C 59 21.171 0.003 -9.050 1.00 28.02 N ATOM 2490 CE2 TRP C 59 22.148 0.556 -8.275 1.00 28.93 C ATOM 2491 CE3 TRP C 59 24.282 -0.086 -7.368 1.00 28.01 C ATOM 2492 CZ2 TRP C 59 22.222 1.807 -7.695 1.00 29.73 C ATOM 2493 CZ3 TRP C 59 24.350 1.167 -6.771 1.00 29.01 C ATOM 2494 CH2 TRP C 59 23.311 2.096 -6.940 1.00 29.81 C ATOM 2495 HE1 TRP C 59 20.265 0.448 -9.298 1.00 0.00 H ATOM 2496 H TRP C 59 23.646 -4.281 -6.879 1.00 0.00 H ATOM 2497 N CYS C 60 23.369 -5.662 -10.784 1.00 20.14 N ATOM 2498 CA CYS C 60 24.157 -6.594 -11.557 1.00 19.96 C ATOM 2499 C CYS C 60 24.840 -5.845 -12.678 1.00 18.58 C ATOM 2500 O CYS C 60 24.187 -5.163 -13.456 1.00 20.20 O ATOM 2501 CB CYS C 60 23.305 -7.727 -12.107 1.00 20.46 C ATOM 2502 SG CYS C 60 22.526 -8.681 -10.784 1.00 24.02 S ATOM 2503 H CYS C 60 22.440 -5.358 -11.139 1.00 0.00 H ATOM 2504 N PHE C 61 26.140 -6.074 -12.860 1.00 18.12 N ATOM 2505 CA PHE C 61 26.936 -5.455 -13.917 1.00 17.87 C ATOM 2506 C PHE C 61 27.672 -6.522 -14.709 1.00 18.91 C ATOM 2507 O PHE C 61 28.210 -7.472 -14.112 1.00 19.56 O ATOM 2508 CB PHE C 61 28.001 -4.542 -13.299 1.00 18.23 C ATOM 2509 CG PHE C 61 27.455 -3.392 -12.520 1.00 17.66 C ATOM 2510 CD1 PHE C 61 27.178 -2.191 -13.164 1.00 18.90 C ATOM 2511 CD2 PHE C 61 27.312 -3.438 -11.153 1.00 19.30 C ATOM 2512 CE1 PHE C 61 26.720 -1.096 -12.454 1.00 20.52 C ATOM 2513 CE2 PHE C 61 26.850 -2.354 -10.445 1.00 19.11 C ATOM 2514 CZ PHE C 61 26.525 -1.172 -11.079 1.00 19.65 C ATOM 2515 H PHE C 61 26.616 -6.733 -12.211 1.00 0.00 H ATOM 2516 N SER C 62 27.716 -6.367 -16.005 1.00 18.18 N ATOM 2517 CA SER C 62 28.444 -7.328 -16.839 1.00 19.04 C ATOM 2518 C SER C 62 29.952 -7.252 -16.670 1.00 20.12 C ATOM 2519 O SER C 62 30.640 -8.263 -16.863 1.00 21.94 O ATOM 2520 CB SER C 62 28.071 -7.096 -18.310 1.00 20.24 C ATOM 2521 OG SER C 62 28.386 -5.796 -18.678 1.00 22.34 O ATOM 2522 HG SER C 62 28.143 -5.655 -19.627 1.00 0.00 H ATOM 2523 H SER C 62 27.233 -5.559 -16.447 1.00 0.00 H ATOM 2524 N LEU C 63 30.467 -6.053 -16.388 1.00 18.15 N ATOM 2525 CA LEU C 63 31.906 -5.786 -16.251 1.00 18.35 C ATOM 2526 C LEU C 63 32.117 -4.901 -15.061 1.00 17.65 C ATOM 2527 O LEU C 63 31.233 -4.138 -14.701 1.00 16.39 O ATOM 2528 CB LEU C 63 32.422 -5.054 -17.498 1.00 19.38 C ATOM 2529 CG LEU C 63 32.405 -5.861 -18.799 1.00 21.28 C ATOM 2530 CD1 LEU C 63 32.705 -4.872 -19.946 1.00 22.60 C ATOM 2531 CD2 LEU C 63 33.408 -7.028 -18.747 1.00 22.48 C ATOM 2532 H LEU C 63 29.809 -5.258 -16.257 1.00 0.00 H ATOM 2533 N ALA C 64 33.280 -5.025 -14.434 1.00 16.70 N ATOM 2534 CA ALA C 64 33.680 -4.131 -13.334 1.00 16.50 C ATOM 2535 C ALA C 64 35.196 -4.086 -13.302 1.00 16.80 C ATOM 2536 O ALA C 64 35.880 -4.893 -13.918 1.00 17.79 O ATOM 2537 CB ALA C 64 33.123 -4.640 -12.036 1.00 16.69 C ATOM 2538 H ALA C 64 33.932 -5.780 -14.730 1.00 0.00 H ATOM 2539 N GLN C 65 35.687 -3.111 -12.577 1.00 16.66 N ATOM 2540 CA GLN C 65 37.127 -2.937 -12.352 1.00 17.62 C ATOM 2541 C GLN C 65 37.372 -2.638 -10.895 1.00 16.16 C ATOM 2542 O GLN C 65 36.447 -2.276 -10.150 1.00 15.48 O ATOM 2543 CB GLN C 65 37.677 -1.829 -13.218 1.00 20.27 C ATOM 2544 CG GLN C 65 37.037 -0.498 -12.954 1.00 23.31 C ATOM 2545 CD GLN C 65 37.534 0.653 -13.831 1.00 28.08 C ATOM 2546 OE1 GLN C 65 38.492 1.326 -13.484 1.00 31.36 O ATOM 2547 NE2 GLN C 65 36.834 0.926 -14.917 1.00 35.65 N ATOM 2548 HE22 GLN C 65 36.024 0.328 -15.178 1.00 0.00 H ATOM 2549 HE21 GLN C 65 37.092 1.739 -15.511 1.00 0.00 H ATOM 2550 H GLN C 65 35.029 -2.432 -12.143 1.00 0.00 H ATOM 2551 N GLY C 66 38.660 -2.718 -10.512 1.00 15.20 N ATOM 2552 CA GLY C 66 39.037 -2.212 -9.234 1.00 15.71 C ATOM 2553 C GLY C 66 38.654 -3.044 -8.030 1.00 15.16 C ATOM 2554 O GLY C 66 38.798 -2.595 -6.899 1.00 15.77 O ATOM 2555 H GLY C 66 39.371 -3.144 -11.141 1.00 0.00 H ATOM 2556 N LEU C 67 38.204 -4.266 -8.284 1.00 15.23 N ATOM 2557 CA LEU C 67 37.861 -5.198 -7.230 1.00 15.40 C ATOM 2558 C LEU C 67 38.976 -6.176 -7.026 1.00 16.73 C ATOM 2559 O LEU C 67 39.940 -6.253 -7.813 1.00 17.56 O ATOM 2560 CB LEU C 67 36.579 -5.955 -7.573 1.00 16.73 C ATOM 2561 CG LEU C 67 35.339 -5.085 -7.772 1.00 16.09 C ATOM 2562 CD1 LEU C 67 34.251 -5.817 -8.563 1.00 16.76 C ATOM 2563 CD2 LEU C 67 34.805 -4.672 -6.436 1.00 16.78 C ATOM 2564 H LEU C 67 38.094 -4.565 -9.274 1.00 0.00 H ATOM 2565 N ARG C 68 38.880 -6.920 -5.939 1.00 17.86 N ATOM 2566 CA ARG C 68 39.735 -8.101 -5.733 1.00 19.60 C ATOM 2567 C ARG C 68 38.867 -9.280 -5.455 1.00 19.26 C ATOM 2568 O ARG C 68 38.100 -9.193 -4.467 1.00 18.86 O ATOM 2569 CB ARG C 68 40.691 -7.829 -4.556 1.00 24.21 C ATOM 2570 CG ARG C 68 41.719 -8.881 -4.357 1.00 27.38 C ATOM 2571 CD ARG C 68 42.938 -8.303 -3.585 1.00 30.03 C ATOM 2572 NE ARG C 68 42.607 -7.632 -2.320 1.00 32.90 N ATOM 2573 CZ ARG C 68 42.450 -8.210 -1.133 1.00 37.23 C ATOM 2574 NH1 ARG C 68 42.525 -9.544 -0.976 1.00 40.11 N ATOM 2575 NH2 ARG C 68 42.157 -7.446 -0.086 1.00 37.88 N ATOM 2576 HE ARG C 68 42.483 -6.600 -2.357 1.00 0.00 H ATOM 2577 HH12 ARG C 68 42.397 -9.965 -0.033 1.00 0.00 H ATOM 2578 HH11 ARG C 68 42.711 -10.155 -1.797 1.00 0.00 H ATOM 2579 HH22 ARG C 68 42.030 -7.876 0.852 1.00 0.00 H ATOM 2580 HH21 ARG C 68 42.055 -6.418 -0.205 1.00 0.00 H ATOM 2581 H ARG C 68 38.183 -6.665 -5.210 1.00 0.00 H ATOM 2582 N LEU C 69 38.920 -10.330 -6.240 1.00 18.54 N ATOM 2583 CA LEU C 69 38.061 -11.500 -6.055 1.00 21.62 C ATOM 2584 C LEU C 69 38.747 -12.544 -5.170 1.00 24.37 C ATOM 2585 O LEU C 69 39.879 -12.916 -5.448 1.00 25.64 O ATOM 2586 CB LEU C 69 37.656 -12.095 -7.388 1.00 21.62 C ATOM 2587 CG LEU C 69 37.071 -11.083 -8.377 1.00 21.90 C ATOM 2588 CD1 LEU C 69 36.715 -11.706 -9.734 1.00 24.30 C ATOM 2589 CD2 LEU C 69 35.873 -10.317 -7.801 1.00 21.35 C ATOM 2590 H LEU C 69 39.601 -10.331 -7.026 1.00 0.00 H ATOM 2591 N ILE C 70 38.085 -12.954 -4.108 1.00 25.18 N ATOM 2592 CA ILE C 70 38.697 -13.721 -3.023 1.00 28.03 C ATOM 2593 C ILE C 70 38.178 -15.151 -3.070 1.00 29.11 C ATOM 2594 O ILE C 70 36.977 -15.377 -3.041 1.00 30.62 O ATOM 2595 CB ILE C 70 38.262 -13.160 -1.642 1.00 29.94 C ATOM 2596 CG1 ILE C 70 38.514 -11.686 -1.538 1.00 31.92 C ATOM 2597 CG2 ILE C 70 38.975 -13.924 -0.523 1.00 32.58 C ATOM 2598 CD1 ILE C 70 39.929 -11.286 -1.909 1.00 32.31 C ATOM 2599 H ILE C 70 37.074 -12.720 -4.037 1.00 0.00 H ATOM 2600 N GLY C 71 39.081 -16.106 -3.039 1.00 33.70 N ATOM 2601 CA GLY C 71 38.676 -17.475 -2.647 1.00 35.64 C ATOM 2602 C GLY C 71 38.018 -18.258 -3.752 1.00 36.74 C ATOM 2603 O GLY C 71 38.125 -17.900 -4.920 1.00 34.99 O ATOM 2604 H GLY C 71 40.070 -15.902 -3.287 1.00 0.00 H ATOM 2605 N ALA C 72 37.433 -19.382 -3.374 1.00 37.92 N ATOM 2606 CA ALA C 72 36.816 -20.310 -4.329 1.00 37.97 C ATOM 2607 C ALA C 72 35.306 -20.086 -4.433 1.00 35.89 C ATOM 2608 O ALA C 72 34.706 -19.668 -3.468 1.00 35.46 O ATOM 2609 CB ALA C 72 37.085 -21.755 -3.925 1.00 40.20 C ATOM 2610 H ALA C 72 37.409 -19.617 -2.361 1.00 0.00 H ATOM 2611 N PRO C 73 34.708 -20.408 -5.584 1.00 35.44 N ATOM 2612 CA PRO C 73 33.266 -20.171 -5.762 1.00 34.40 C ATOM 2613 C PRO C 73 32.430 -21.027 -4.846 1.00 35.03 C ATOM 2614 O PRO C 73 32.809 -22.163 -4.530 1.00 36.06 O ATOM 2615 CB PRO C 73 33.002 -20.575 -7.196 1.00 34.84 C ATOM 2616 CG PRO C 73 34.336 -20.572 -7.872 1.00 34.66 C ATOM 2617 CD PRO C 73 35.334 -20.910 -6.810 1.00 36.14 C ATOM 2618 N SER C 74 31.272 -20.508 -4.460 1.00 32.73 N ATOM 2619 CA SER C 74 30.323 -21.222 -3.631 1.00 31.56 C ATOM 2620 C SER C 74 28.921 -21.073 -4.210 1.00 31.64 C ATOM 2621 O SER C 74 28.535 -20.005 -4.639 1.00 28.36 O ATOM 2622 CB SER C 74 30.341 -20.631 -2.235 1.00 32.21 C ATOM 2623 OG SER C 74 29.331 -21.179 -1.407 1.00 32.86 O ATOM 2624 HG SER C 74 29.381 -20.765 -0.509 1.00 0.00 H ATOM 2625 H SER C 74 31.034 -19.543 -4.767 1.00 0.00 H ATOM 2626 N GLY C 75 28.109 -22.118 -4.121 1.00 31.46 N ATOM 2627 CA GLY C 75 26.709 -22.024 -4.459 1.00 31.09 C ATOM 2628 C GLY C 75 25.789 -21.668 -3.301 1.00 29.76 C ATOM 2629 O GLY C 75 24.577 -21.479 -3.517 1.00 31.35 O ATOM 2630 H GLY C 75 28.492 -23.030 -3.799 1.00 0.00 H ATOM 2631 N GLU C 76 26.328 -21.620 -2.086 1.00 29.64 N ATOM 2632 CA GLU C 76 25.494 -21.453 -0.882 1.00 31.47 C ATOM 2633 C GLU C 76 24.658 -20.194 -0.900 1.00 28.99 C ATOM 2634 O GLU C 76 25.200 -19.114 -1.140 1.00 27.46 O ATOM 2635 CB GLU C 76 26.353 -21.459 0.401 1.00 34.35 C ATOM 2636 CG GLU C 76 25.625 -22.000 1.651 1.00 39.27 C ATOM 2637 CD GLU C 76 26.464 -22.168 2.978 1.00 42.70 C ATOM 2638 OE1 GLU C 76 26.913 -21.195 3.692 1.00 40.97 O ATOM 2639 OE2 GLU C 76 26.619 -23.339 3.408 1.00 49.27 O ATOM 2640 H GLU C 76 27.360 -21.702 -1.983 1.00 0.00 H ATOM 2641 N PHE C 77 23.356 -20.303 -0.678 1.00 27.89 N ATOM 2642 CA PHE C 77 22.486 -19.125 -0.596 1.00 27.18 C ATOM 2643 C PHE C 77 22.464 -18.281 -1.867 1.00 26.10 C ATOM 2644 O PHE C 77 22.030 -17.165 -1.766 1.00 24.89 O ATOM 2645 CB PHE C 77 22.857 -18.217 0.612 1.00 28.46 C ATOM 2646 CG PHE C 77 22.744 -18.910 1.921 1.00 28.93 C ATOM 2647 CD1 PHE C 77 21.482 -19.205 2.414 1.00 30.00 C ATOM 2648 CD2 PHE C 77 23.857 -19.249 2.658 1.00 29.37 C ATOM 2649 CE1 PHE C 77 21.321 -19.825 3.648 1.00 30.93 C ATOM 2650 CE2 PHE C 77 23.713 -19.914 3.853 1.00 30.13 C ATOM 2651 CZ PHE C 77 22.450 -20.172 4.353 1.00 30.42 C ATOM 2652 H PHE C 77 22.940 -21.249 -0.559 1.00 0.00 H ATOM 2653 N SER C 78 22.826 -18.820 -3.021 1.00 26.24 N ATOM 2654 CA SER C 78 22.940 -17.931 -4.192 1.00 25.20 C ATOM 2655 C SER C 78 21.600 -17.329 -4.538 1.00 26.34 C ATOM 2656 O SER C 78 20.601 -18.029 -4.655 1.00 26.43 O ATOM 2657 CB SER C 78 23.518 -18.659 -5.358 1.00 25.83 C ATOM 2658 OG SER C 78 23.608 -17.747 -6.431 1.00 27.02 O ATOM 2659 HG SER C 78 23.990 -18.205 -7.221 1.00 0.00 H ATOM 2660 H SER C 78 23.024 -19.838 -3.099 1.00 0.00 H ATOM 2661 N TRP C 79 21.582 -16.014 -4.748 1.00 25.60 N ATOM 2662 CA TRP C 79 20.361 -15.320 -5.110 1.00 25.77 C ATOM 2663 C TRP C 79 20.033 -15.499 -6.579 1.00 28.20 C ATOM 2664 O TRP C 79 18.929 -15.097 -7.016 1.00 30.17 O ATOM 2665 CB TRP C 79 20.523 -13.823 -4.825 1.00 25.26 C ATOM 2666 CG TRP C 79 20.658 -13.489 -3.394 1.00 23.99 C ATOM 2667 CD1 TRP C 79 19.849 -13.935 -2.387 1.00 24.62 C ATOM 2668 CD2 TRP C 79 21.599 -12.612 -2.803 1.00 23.52 C ATOM 2669 NE1 TRP C 79 20.258 -13.386 -1.214 1.00 23.79 N ATOM 2670 CE2 TRP C 79 21.322 -12.552 -1.435 1.00 23.51 C ATOM 2671 CE3 TRP C 79 22.641 -11.822 -3.335 1.00 22.79 C ATOM 2672 CZ2 TRP C 79 22.069 -11.775 -0.545 1.00 24.23 C ATOM 2673 CZ3 TRP C 79 23.409 -11.061 -2.467 1.00 23.54 C ATOM 2674 CH2 TRP C 79 23.105 -11.020 -1.089 1.00 22.97 C ATOM 2675 HE1 TRP C 79 19.827 -13.571 -0.286 1.00 0.00 H ATOM 2676 H TRP C 79 22.464 -15.472 -4.650 1.00 0.00 H ATOM 2677 N PHE C 80 20.933 -16.111 -7.346 1.00 27.61 N ATOM 2678 CA PHE C 80 20.743 -16.251 -8.787 1.00 27.83 C ATOM 2679 C PHE C 80 20.887 -17.743 -9.069 1.00 30.75 C ATOM 2680 O PHE C 80 21.965 -18.307 -8.967 1.00 30.26 O ATOM 2681 CB PHE C 80 21.762 -15.400 -9.536 1.00 26.30 C ATOM 2682 CG PHE C 80 21.681 -13.931 -9.212 1.00 25.58 C ATOM 2683 CD1 PHE C 80 20.760 -13.116 -9.844 1.00 26.65 C ATOM 2684 CD2 PHE C 80 22.497 -13.377 -8.221 1.00 25.05 C ATOM 2685 CE1 PHE C 80 20.656 -11.782 -9.513 1.00 26.84 C ATOM 2686 CE2 PHE C 80 22.403 -12.049 -7.903 1.00 25.41 C ATOM 2687 CZ PHE C 80 21.476 -11.253 -8.543 1.00 26.81 C ATOM 2688 H PHE C 80 21.793 -16.499 -6.908 1.00 0.00 H ATOM 2689 N LYS C 81 19.776 -18.380 -9.397 1.00 32.50 N ATOM 2690 CA LYS C 81 19.754 -19.838 -9.450 1.00 35.03 C ATOM 2691 C LYS C 81 20.695 -20.339 -10.533 1.00 34.90 C ATOM 2692 O LYS C 81 20.702 -19.822 -11.605 1.00 34.72 O ATOM 2693 CB LYS C 81 18.331 -20.307 -9.702 1.00 38.74 C ATOM 2694 CG LYS C 81 18.184 -21.798 -9.622 1.00 41.87 C ATOM 2695 CD LYS C 81 16.673 -22.174 -9.698 1.00 45.32 C ATOM 2696 CE LYS C 81 16.344 -23.468 -8.987 1.00 47.92 C ATOM 2697 NZ LYS C 81 15.180 -24.120 -9.641 1.00 50.11 N ATOM 2698 HZ1 LYS C 81 14.358 -23.484 -9.597 1.00 0.00 H ATOM 2699 HZ2 LYS C 81 15.411 -24.322 -10.635 1.00 0.00 H ATOM 2700 HZ3 LYS C 81 14.959 -25.008 -9.147 1.00 0.00 H ATOM 2701 H LYS C 81 18.915 -17.840 -9.618 1.00 0.00 H ATOM 2702 N GLY C 82 21.544 -21.310 -10.191 1.00 36.02 N ATOM 2703 CA GLY C 82 22.517 -21.844 -11.140 1.00 36.81 C ATOM 2704 C GLY C 82 23.857 -21.118 -11.230 1.00 36.53 C ATOM 2705 O GLY C 82 24.714 -21.457 -12.073 1.00 39.76 O ATOM 2706 H GLY C 82 21.512 -21.696 -9.226 1.00 0.00 H ATOM 2707 N TYR C 83 24.032 -20.087 -10.398 1.00 32.40 N ATOM 2708 CA TYR C 83 25.289 -19.362 -10.348 1.00 30.68 C ATOM 2709 C TYR C 83 25.966 -19.486 -9.014 1.00 29.22 C ATOM 2710 O TYR C 83 25.308 -19.474 -7.971 1.00 29.52 O ATOM 2711 CB TYR C 83 25.067 -17.868 -10.608 1.00 31.83 C ATOM 2712 CG TYR C 83 24.611 -17.512 -11.979 1.00 32.38 C ATOM 2713 CD1 TYR C 83 23.279 -17.595 -12.354 1.00 33.20 C ATOM 2714 CD2 TYR C 83 25.512 -17.075 -12.899 1.00 32.78 C ATOM 2715 CE1 TYR C 83 22.866 -17.213 -13.605 1.00 35.47 C ATOM 2716 CE2 TYR C 83 25.106 -16.687 -14.177 1.00 33.18 C ATOM 2717 CZ TYR C 83 23.779 -16.751 -14.508 1.00 33.46 C ATOM 2718 OH TYR C 83 23.377 -16.371 -15.784 1.00 38.35 O ATOM 2719 HH TYR C 83 23.826 -16.944 -16.455 1.00 0.00 H ATOM 2720 H TYR C 83 23.252 -19.798 -9.774 1.00 0.00 H ATOM 2721 N ASP C 84 27.293 -19.622 -9.089 1.00 28.76 N ATOM 2722 CA ASP C 84 28.132 -19.662 -7.899 1.00 27.93 C ATOM 2723 C ASP C 84 28.766 -18.308 -7.755 1.00 26.50 C ATOM 2724 O ASP C 84 28.953 -17.632 -8.734 1.00 24.95 O ATOM 2725 CB ASP C 84 29.219 -20.719 -8.019 1.00 30.91 C ATOM 2726 CG ASP C 84 28.714 -22.139 -7.670 1.00 35.20 C ATOM 2727 OD1 ASP C 84 27.502 -22.398 -7.518 1.00 34.33 O ATOM 2728 OD2 ASP C 84 29.614 -22.982 -7.552 1.00 39.96 O ATOM 2729 H ASP C 84 27.740 -19.702 -10.025 1.00 0.00 H ATOM 2730 N TRP C 85 29.137 -17.964 -6.531 1.00 24.42 N ATOM 2731 CA TRP C 85 29.713 -16.635 -6.234 1.00 22.65 C ATOM 2732 C TRP C 85 31.046 -16.704 -5.562 1.00 23.18 C ATOM 2733 O TRP C 85 31.339 -17.636 -4.843 1.00 23.00 O ATOM 2734 CB TRP C 85 28.749 -15.813 -5.388 1.00 22.60 C ATOM 2735 CG TRP C 85 28.267 -16.471 -4.138 1.00 22.96 C ATOM 2736 CD1 TRP C 85 27.105 -17.164 -4.018 1.00 23.73 C ATOM 2737 CD2 TRP C 85 28.921 -16.544 -2.862 1.00 23.21 C ATOM 2738 NE1 TRP C 85 26.967 -17.612 -2.745 1.00 23.19 N ATOM 2739 CE2 TRP C 85 28.085 -17.290 -2.024 1.00 23.38 C ATOM 2740 CE3 TRP C 85 30.126 -16.065 -2.342 1.00 23.40 C ATOM 2741 CZ2 TRP C 85 28.386 -17.496 -0.669 1.00 23.43 C ATOM 2742 CZ3 TRP C 85 30.438 -16.317 -1.038 1.00 23.90 C ATOM 2743 CH2 TRP C 85 29.563 -17.022 -0.211 1.00 23.97 C ATOM 2744 HE1 TRP C 85 26.140 -18.121 -2.374 1.00 0.00 H ATOM 2745 H TRP C 85 29.020 -18.648 -5.757 1.00 0.00 H ATOM 2746 N THR C 86 31.829 -15.638 -5.735 1.00 21.35 N ATOM 2747 CA THR C 86 33.079 -15.369 -5.032 1.00 21.49 C ATOM 2748 C THR C 86 33.006 -13.943 -4.476 1.00 21.04 C ATOM 2749 O THR C 86 32.446 -13.058 -5.133 1.00 21.38 O ATOM 2750 CB THR C 86 34.192 -15.467 -6.091 1.00 22.78 C ATOM 2751 OG1 THR C 86 34.123 -16.789 -6.684 1.00 23.81 O ATOM 2752 CG2 THR C 86 35.637 -15.050 -5.651 1.00 22.48 C ATOM 2753 HG1 THR C 86 33.236 -16.915 -7.104 1.00 0.00 H ATOM 2754 H THR C 86 31.520 -14.934 -6.435 1.00 0.00 H ATOM 2755 N ILE C 87 33.532 -13.724 -3.307 1.00 18.77 N ATOM 2756 CA ILE C 87 33.539 -12.411 -2.681 1.00 19.43 C ATOM 2757 C ILE C 87 34.342 -11.426 -3.519 1.00 17.54 C ATOM 2758 O ILE C 87 35.467 -11.756 -3.988 1.00 17.84 O ATOM 2759 CB ILE C 87 34.132 -12.527 -1.253 1.00 20.27 C ATOM 2760 CG1 ILE C 87 33.054 -13.160 -0.344 1.00 23.32 C ATOM 2761 CG2 ILE C 87 34.562 -11.189 -0.697 1.00 20.59 C ATOM 2762 CD1 ILE C 87 33.588 -13.671 0.973 1.00 25.98 C ATOM 2763 H ILE C 87 33.966 -14.521 -2.799 1.00 0.00 H ATOM 2764 N ALA C 88 33.775 -10.228 -3.657 1.00 16.57 N ATOM 2765 CA ALA C 88 34.467 -9.120 -4.325 1.00 16.09 C ATOM 2766 C ALA C 88 34.724 -7.979 -3.376 1.00 16.93 C ATOM 2767 O ALA C 88 33.752 -7.374 -2.827 1.00 16.98 O ATOM 2768 CB ALA C 88 33.635 -8.621 -5.531 1.00 16.55 C ATOM 2769 H ALA C 88 32.817 -10.074 -3.282 1.00 0.00 H ATOM 2770 N LEU C 89 35.985 -7.719 -3.102 1.00 16.40 N ATOM 2771 CA LEU C 89 36.390 -6.579 -2.267 1.00 16.01 C ATOM 2772 C LEU C 89 36.796 -5.384 -3.100 1.00 15.15 C ATOM 2773 O LEU C 89 37.296 -5.559 -4.193 1.00 16.12 O ATOM 2774 CB LEU C 89 37.565 -6.941 -1.366 1.00 17.10 C ATOM 2775 CG LEU C 89 37.385 -8.198 -0.531 1.00 18.60 C ATOM 2776 CD1 LEU C 89 38.660 -8.381 0.269 1.00 19.59 C ATOM 2777 CD2 LEU C 89 36.154 -8.155 0.353 1.00 19.61 C ATOM 2778 H LEU C 89 36.721 -8.343 -3.490 1.00 0.00 H ATOM 2779 N CYS C 90 36.664 -4.211 -2.563 1.00 15.11 N ATOM 2780 CA CYS C 90 37.335 -3.046 -3.153 1.00 14.94 C ATOM 2781 C CYS C 90 38.837 -3.302 -3.153 1.00 15.16 C ATOM 2782 O CYS C 90 39.415 -3.594 -2.089 1.00 15.74 O ATOM 2783 CB CYS C 90 36.993 -1.816 -2.348 1.00 14.89 C ATOM 2784 SG CYS C 90 37.784 -0.335 -2.935 1.00 15.03 S ATOM 2785 H CYS C 90 36.080 -4.095 -1.710 1.00 0.00 H ATOM 2786 N GLY C 91 39.455 -3.149 -4.288 1.00 15.44 N ATOM 2787 CA GLY C 91 40.896 -3.354 -4.371 1.00 16.06 C ATOM 2788 C GLY C 91 41.696 -2.264 -3.710 1.00 16.26 C ATOM 2789 O GLY C 91 42.876 -2.465 -3.460 1.00 18.43 O ATOM 2790 H GLY C 91 38.920 -2.880 -5.138 1.00 0.00 H ATOM 2791 N GLN C 92 41.089 -1.118 -3.446 1.00 14.21 N ATOM 2792 CA GLN C 92 41.799 -0.002 -2.857 1.00 14.69 C ATOM 2793 C GLN C 92 41.719 -0.028 -1.368 1.00 14.62 C ATOM 2794 O GLN C 92 42.759 0.193 -0.726 1.00 15.96 O ATOM 2795 CB GLN C 92 41.273 1.307 -3.490 1.00 13.94 C ATOM 2796 CG GLN C 92 41.886 2.595 -2.953 1.00 13.93 C ATOM 2797 CD GLN C 92 41.696 3.725 -3.934 1.00 14.42 C ATOM 2798 OE1 GLN C 92 42.475 3.971 -4.871 1.00 14.72 O ATOM 2799 NE2 GLN C 92 40.580 4.441 -3.725 1.00 14.50 N ATOM 2800 HE22 GLN C 92 39.952 4.205 -2.930 1.00 0.00 H ATOM 2801 HE21 GLN C 92 40.343 5.231 -4.358 1.00 0.00 H ATOM 2802 H GLN C 92 40.078 -1.017 -3.667 1.00 0.00 H ATOM 2803 N CYS C 93 40.564 -0.222 -0.779 1.00 14.76 N ATOM 2804 CA CYS C 93 40.401 -0.180 0.695 1.00 15.48 C ATOM 2805 C CYS C 93 39.981 -1.473 1.337 1.00 15.80 C ATOM 2806 O CYS C 93 39.964 -1.555 2.577 1.00 17.91 O ATOM 2807 CB CYS C 93 39.406 0.921 1.104 1.00 15.52 C ATOM 2808 SG CYS C 93 37.646 0.493 0.840 1.00 16.34 S ATOM 2809 H CYS C 93 39.729 -0.413 -1.368 1.00 0.00 H ATOM 2810 N GLY C 94 39.607 -2.472 0.567 1.00 16.02 N ATOM 2811 CA GLY C 94 39.185 -3.771 1.166 1.00 16.40 C ATOM 2812 C GLY C 94 37.733 -3.914 1.532 1.00 16.96 C ATOM 2813 O GLY C 94 37.342 -4.999 1.938 1.00 19.08 O ATOM 2814 H GLY C 94 39.606 -2.355 -0.466 1.00 0.00 H ATOM 2815 N SER C 95 36.914 -2.868 1.393 1.00 16.26 N ATOM 2816 CA SER C 95 35.477 -2.934 1.699 1.00 17.04 C ATOM 2817 C SER C 95 34.847 -4.057 0.876 1.00 17.43 C ATOM 2818 O SER C 95 35.115 -4.247 -0.307 1.00 16.43 O ATOM 2819 CB SER C 95 34.813 -1.618 1.375 1.00 17.30 C ATOM 2820 OG SER C 95 33.398 -1.656 1.599 1.00 19.28 O ATOM 2821 HG SER C 95 33.221 -1.864 2.551 1.00 0.00 H ATOM 2822 H SER C 95 37.310 -1.968 1.054 1.00 0.00 H ATOM 2823 N HIS C 96 33.949 -4.819 1.469 1.00 17.61 N ATOM 2824 CA HIS C 96 33.244 -5.853 0.781 1.00 17.63 C ATOM 2825 C HIS C 96 32.129 -5.230 -0.033 1.00 17.49 C ATOM 2826 O HIS C 96 31.124 -4.748 0.526 1.00 18.61 O ATOM 2827 CB HIS C 96 32.714 -6.880 1.771 1.00 17.99 C ATOM 2828 CG HIS C 96 31.911 -7.938 1.091 1.00 19.01 C ATOM 2829 ND1 HIS C 96 30.982 -8.678 1.755 1.00 22.26 N ATOM 2830 CD2 HIS C 96 31.923 -8.402 -0.186 1.00 19.53 C ATOM 2831 CE1 HIS C 96 30.408 -9.524 0.908 1.00 22.12 C ATOM 2832 NE2 HIS C 96 30.950 -9.345 -0.296 1.00 19.93 N ATOM 2833 H HIS C 96 33.746 -4.661 2.477 1.00 0.00 H ATOM 2834 N LEU C 97 32.270 -5.210 -1.372 1.00 16.75 N ATOM 2835 CA LEU C 97 31.305 -4.498 -2.217 1.00 16.10 C ATOM 2836 C LEU C 97 30.271 -5.420 -2.835 1.00 16.78 C ATOM 2837 O LEU C 97 29.209 -4.968 -3.279 1.00 18.00 O ATOM 2838 CB LEU C 97 32.019 -3.753 -3.337 1.00 15.90 C ATOM 2839 CG LEU C 97 33.013 -2.690 -2.857 1.00 15.91 C ATOM 2840 CD1 LEU C 97 33.597 -1.954 -4.062 1.00 16.99 C ATOM 2841 CD2 LEU C 97 32.401 -1.734 -1.835 1.00 16.43 C ATOM 2842 H LEU C 97 33.072 -5.705 -1.812 1.00 0.00 H ATOM 2843 N GLY C 98 30.518 -6.728 -2.894 1.00 16.70 N ATOM 2844 CA GLY C 98 29.564 -7.664 -3.455 1.00 17.24 C ATOM 2845 C GLY C 98 30.244 -8.944 -3.862 1.00 16.63 C ATOM 2846 O GLY C 98 31.108 -9.465 -3.121 1.00 16.92 O ATOM 2847 H GLY C 98 31.422 -7.088 -2.527 1.00 0.00 H ATOM 2848 N TRP C 99 29.855 -9.481 -5.010 1.00 17.15 N ATOM 2849 CA TRP C 99 30.249 -10.801 -5.443 1.00 18.60 C ATOM 2850 C TRP C 99 30.412 -10.883 -6.919 1.00 18.32 C ATOM 2851 O TRP C 99 29.812 -10.116 -7.657 1.00 19.43 O ATOM 2852 CB TRP C 99 29.176 -11.874 -5.021 1.00 19.23 C ATOM 2853 CG TRP C 99 28.936 -11.929 -3.549 1.00 19.59 C ATOM 2854 CD1 TRP C 99 29.618 -12.685 -2.616 1.00 20.29 C ATOM 2855 CD2 TRP C 99 28.033 -11.107 -2.795 1.00 19.63 C ATOM 2856 NE1 TRP C 99 29.175 -12.368 -1.375 1.00 20.33 N ATOM 2857 CE2 TRP C 99 28.202 -11.416 -1.439 1.00 19.98 C ATOM 2858 CE3 TRP C 99 27.102 -10.110 -3.145 1.00 19.92 C ATOM 2859 CZ2 TRP C 99 27.439 -10.828 -0.447 1.00 21.67 C ATOM 2860 CZ3 TRP C 99 26.362 -9.540 -2.202 1.00 21.39 C ATOM 2861 CH2 TRP C 99 26.519 -9.895 -0.854 1.00 21.65 C ATOM 2862 HE1 TRP C 99 29.529 -12.793 -0.494 1.00 0.00 H ATOM 2863 H TRP C 99 29.234 -8.923 -5.630 1.00 0.00 H ATOM 2864 N HIS C 100 31.268 -11.784 -7.363 1.00 19.07 N ATOM 2865 CA HIS C 100 31.347 -12.169 -8.762 1.00 20.42 C ATOM 2866 C HIS C 100 30.641 -13.505 -8.951 1.00 21.41 C ATOM 2867 O HIS C 100 30.860 -14.434 -8.164 1.00 22.42 O ATOM 2868 CB HIS C 100 32.803 -12.271 -9.195 1.00 21.78 C ATOM 2869 CG HIS C 100 32.965 -12.465 -10.668 1.00 25.12 C ATOM 2870 ND1 HIS C 100 33.556 -13.595 -11.200 1.00 30.01 N ATOM 2871 CD2 HIS C 100 32.553 -11.715 -11.718 1.00 25.84 C ATOM 2872 CE1 HIS C 100 33.539 -13.503 -12.520 1.00 29.17 C ATOM 2873 NE2 HIS C 100 32.975 -12.356 -12.856 1.00 28.39 N ATOM 2874 H HIS C 100 31.912 -12.237 -6.684 1.00 0.00 H ATOM 2875 N TYR C 101 29.784 -13.559 -9.949 1.00 21.16 N ATOM 2876 CA TYR C 101 28.905 -14.731 -10.219 1.00 21.89 C ATOM 2877 C TYR C 101 29.378 -15.405 -11.498 1.00 25.48 C ATOM 2878 O TYR C 101 29.835 -14.743 -12.447 1.00 25.35 O ATOM 2879 CB TYR C 101 27.475 -14.340 -10.335 1.00 22.05 C ATOM 2880 CG TYR C 101 26.888 -13.972 -9.000 1.00 20.76 C ATOM 2881 CD1 TYR C 101 26.892 -12.658 -8.554 1.00 20.39 C ATOM 2882 CD2 TYR C 101 26.243 -14.944 -8.165 1.00 21.38 C ATOM 2883 CE1 TYR C 101 26.352 -12.323 -7.313 1.00 19.98 C ATOM 2884 CE2 TYR C 101 25.668 -14.581 -6.984 1.00 20.97 C ATOM 2885 CZ TYR C 101 25.733 -13.272 -6.538 1.00 20.54 C ATOM 2886 OH TYR C 101 25.167 -12.902 -5.322 1.00 20.82 O ATOM 2887 HH TYR C 101 25.312 -11.934 -5.173 1.00 0.00 H ATOM 2888 H TYR C 101 29.717 -12.738 -10.584 1.00 0.00 H ATOM 2889 N GLU C 102 29.333 -16.752 -11.471 1.00 28.67 N ATOM 2890 CA GLU C 102 29.825 -17.537 -12.603 1.00 35.07 C ATOM 2891 C GLU C 102 29.036 -18.841 -12.666 1.00 38.61 C ATOM 2892 O GLU C 102 28.362 -19.273 -11.717 1.00 35.83 O ATOM 2893 CB GLU C 102 31.287 -17.924 -12.373 1.00 38.79 C ATOM 2894 CG GLU C 102 32.376 -16.961 -12.764 1.00 42.89 C ATOM 2895 CD GLU C 102 33.734 -17.665 -12.990 1.00 48.34 C ATOM 2896 OE1 GLU C 102 33.901 -18.432 -13.991 1.00 51.02 O ATOM 2897 OE2 GLU C 102 34.663 -17.449 -12.170 1.00 52.56 O ATOM 2898 H GLU C 102 28.945 -17.238 -10.637 1.00 0.00 H ATOM 2899 N GLY C 103 29.265 -19.528 -13.772 1.00 44.28 N ATOM 2900 CA GLY C 103 28.847 -20.920 -13.882 1.00 48.45 C ATOM 2901 C GLY C 103 27.418 -21.076 -14.357 1.00 54.09 C ATOM 2902 O GLY C 103 26.923 -22.209 -14.473 1.00 57.10 O ATOM 2903 H GLY C 103 29.748 -19.071 -14.571 1.00 0.00 H ATOM 2904 N GLY C 104 26.756 -19.973 -14.708 1.00 55.75 N ATOM 2905 CA GLY C 104 25.517 -20.012 -15.492 1.00 58.80 C ATOM 2906 C GLY C 104 25.712 -19.823 -16.990 1.00 63.52 C ATOM 2907 O GLY C 104 26.776 -20.075 -17.528 1.00 65.08 O ATOM 2908 H GLY C 104 27.133 -19.049 -14.414 1.00 0.00 H ATOM 2909 N SER C 105 24.627 -19.453 -17.653 1.00 64.70 N ATOM 2910 CA SER C 105 24.619 -19.119 -19.061 1.00 65.80 C ATOM 2911 C SER C 105 23.797 -17.859 -19.309 1.00 64.40 C ATOM 2912 O SER C 105 22.809 -17.621 -18.635 1.00 67.96 O ATOM 2913 CB SER C 105 23.993 -20.272 -19.831 1.00 66.74 C ATOM 2914 OG SER C 105 24.749 -21.455 -19.656 1.00 69.22 O ATOM 2915 HG SER C 105 24.327 -22.193 -20.163 1.00 0.00 H ATOM 2916 H SER C 105 23.729 -19.399 -17.132 1.00 0.00 H ATOM 2917 N GLN C 106 24.245 -17.059 -20.264 1.00 63.88 N ATOM 2918 CA GLN C 106 23.561 -15.858 -20.744 1.00 62.78 C ATOM 2919 C GLN C 106 22.970 -14.980 -19.613 1.00 58.76 C ATOM 2920 O GLN C 106 21.762 -14.831 -19.521 1.00 58.78 O ATOM 2921 CB GLN C 106 22.523 -16.224 -21.814 1.00 67.66 C ATOM 2922 CG GLN C 106 22.107 -15.025 -22.678 1.00 69.99 C ATOM 2923 CD GLN C 106 21.708 -15.418 -24.114 1.00 72.48 C ATOM 2924 OE1 GLN C 106 21.147 -16.495 -24.339 1.00 75.17 O ATOM 2925 NE2 GLN C 106 22.020 -14.551 -25.079 1.00 74.05 N ATOM 2926 HE22 GLN C 106 22.493 -13.656 -24.841 1.00 0.00 H ATOM 2927 HE21 GLN C 106 21.791 -14.770 -26.069 1.00 0.00 H ATOM 2928 H GLN C 106 25.154 -17.303 -20.707 1.00 0.00 H ATOM 2929 N PRO C 107 23.814 -14.361 -18.797 1.00 54.39 N ATOM 2930 CA PRO C 107 25.270 -14.302 -19.002 1.00 49.92 C ATOM 2931 C PRO C 107 25.992 -15.389 -18.235 1.00 47.18 C ATOM 2932 O PRO C 107 25.460 -15.981 -17.273 1.00 48.36 O ATOM 2933 CB PRO C 107 25.653 -12.945 -18.410 1.00 50.74 C ATOM 2934 CG PRO C 107 24.655 -12.791 -17.321 1.00 53.14 C ATOM 2935 CD PRO C 107 23.359 -13.418 -17.762 1.00 54.99 C ATOM 2936 N GLN C 108 27.201 -15.679 -18.650 1.00 40.44 N ATOM 2937 CA GLN C 108 27.928 -16.733 -17.966 1.00 40.86 C ATOM 2938 C GLN C 108 28.459 -16.169 -16.641 1.00 36.58 C ATOM 2939 O GLN C 108 28.576 -16.924 -15.658 1.00 36.91 O ATOM 2940 CB GLN C 108 29.063 -17.266 -18.821 1.00 44.81 C ATOM 2941 CG GLN C 108 28.535 -18.138 -19.989 1.00 49.27 C ATOM 2942 CD GLN C 108 29.634 -18.705 -20.855 1.00 53.35 C ATOM 2943 OE1 GLN C 108 30.557 -19.323 -20.340 1.00 56.04 O ATOM 2944 NE2 GLN C 108 29.541 -18.493 -22.174 1.00 56.07 N ATOM 2945 HE22 GLN C 108 28.735 -17.961 -22.560 1.00 0.00 H ATOM 2946 HE21 GLN C 108 30.275 -18.860 -22.813 1.00 0.00 H ATOM 2947 H GLN C 108 27.628 -15.167 -19.448 1.00 0.00 H ATOM 2948 N THR C 109 28.778 -14.867 -16.645 1.00 32.37 N ATOM 2949 CA THR C 109 29.386 -14.196 -15.495 1.00 30.04 C ATOM 2950 C THR C 109 28.824 -12.809 -15.387 1.00 27.42 C ATOM 2951 O THR C 109 28.389 -12.159 -16.377 1.00 29.02 O ATOM 2952 CB THR C 109 30.913 -14.025 -15.627 1.00 30.68 C ATOM 2953 OG1 THR C 109 31.227 -13.144 -16.714 1.00 31.06 O ATOM 2954 CG2 THR C 109 31.556 -15.377 -15.876 1.00 32.18 C ATOM 2955 HG1 THR C 109 30.817 -12.258 -16.549 1.00 0.00 H ATOM 2956 H THR C 109 28.585 -14.310 -17.502 1.00 0.00 H ATOM 2957 N PHE C 110 28.814 -12.313 -14.147 1.00 23.19 N ATOM 2958 CA PHE C 110 28.465 -10.920 -13.874 1.00 21.36 C ATOM 2959 C PHE C 110 28.928 -10.620 -12.463 1.00 20.53 C ATOM 2960 O PHE C 110 29.344 -11.507 -11.732 1.00 22.25 O ATOM 2961 CB PHE C 110 26.956 -10.631 -14.056 1.00 22.15 C ATOM 2962 CG PHE C 110 26.073 -11.354 -13.071 1.00 23.71 C ATOM 2963 CD1 PHE C 110 25.667 -12.654 -13.333 1.00 27.54 C ATOM 2964 CD2 PHE C 110 25.632 -10.761 -11.929 1.00 23.97 C ATOM 2965 CE1 PHE C 110 24.828 -13.359 -12.467 1.00 28.05 C ATOM 2966 CE2 PHE C 110 24.779 -11.457 -11.077 1.00 24.40 C ATOM 2967 CZ PHE C 110 24.394 -12.750 -11.334 1.00 27.64 C ATOM 2968 H PHE C 110 29.062 -12.936 -13.352 1.00 0.00 H ATOM 2969 N PHE C 111 28.840 -9.367 -12.118 1.00 18.05 N ATOM 2970 CA PHE C 111 29.149 -8.863 -10.772 1.00 18.19 C ATOM 2971 C PHE C 111 27.882 -8.388 -10.129 1.00 19.73 C ATOM 2972 O PHE C 111 27.084 -7.683 -10.758 1.00 21.57 O ATOM 2973 CB PHE C 111 30.123 -7.701 -10.820 1.00 17.90 C ATOM 2974 CG PHE C 111 31.446 -8.032 -11.434 1.00 17.13 C ATOM 2975 CD1 PHE C 111 31.615 -8.019 -12.811 1.00 17.76 C ATOM 2976 CD2 PHE C 111 32.542 -8.301 -10.625 1.00 17.99 C ATOM 2977 CE1 PHE C 111 32.852 -8.323 -13.336 1.00 17.67 C ATOM 2978 CE2 PHE C 111 33.794 -8.573 -11.168 1.00 17.35 C ATOM 2979 CZ PHE C 111 33.944 -8.589 -12.523 1.00 17.35 C ATOM 2980 H PHE C 111 28.533 -8.682 -12.838 1.00 0.00 H ATOM 2981 N GLY C 112 27.574 -8.885 -8.927 1.00 18.35 N ATOM 2982 CA GLY C 112 26.417 -8.458 -8.157 1.00 17.81 C ATOM 2983 C GLY C 112 26.885 -7.628 -6.987 1.00 17.89 C ATOM 2984 O GLY C 112 27.523 -8.150 -6.062 1.00 18.43 O ATOM 2985 H GLY C 112 28.194 -9.615 -8.522 1.00 0.00 H ATOM 2986 N LEU C 113 26.671 -6.328 -7.025 1.00 17.33 N ATOM 2987 CA LEU C 113 27.237 -5.403 -6.069 1.00 17.11 C ATOM 2988 C LEU C 113 26.162 -4.792 -5.199 1.00 17.86 C ATOM 2989 O LEU C 113 25.028 -4.485 -5.682 1.00 18.83 O ATOM 2990 CB LEU C 113 28.034 -4.288 -6.768 1.00 18.39 C ATOM 2991 CG LEU C 113 29.140 -4.788 -7.684 1.00 18.32 C ATOM 2992 CD1 LEU C 113 29.839 -3.677 -8.403 1.00 18.92 C ATOM 2993 CD2 LEU C 113 30.161 -5.673 -6.972 1.00 18.84 C ATOM 2994 H LEU C 113 26.065 -5.949 -7.780 1.00 0.00 H ATOM 2995 N ILE C 114 26.495 -4.576 -3.929 1.00 18.84 N ATOM 2996 CA ILE C 114 25.551 -4.075 -2.952 1.00 19.96 C ATOM 2997 C ILE C 114 25.379 -2.576 -3.085 1.00 20.20 C ATOM 2998 O ILE C 114 26.305 -1.799 -2.889 1.00 19.42 O ATOM 2999 CB ILE C 114 26.089 -4.397 -1.521 1.00 19.92 C ATOM 3000 CG1 ILE C 114 26.326 -5.885 -1.345 1.00 21.20 C ATOM 3001 CG2 ILE C 114 25.168 -3.906 -0.416 1.00 21.31 C ATOM 3002 CD1 ILE C 114 27.346 -6.217 -0.253 1.00 21.30 C ATOM 3003 H ILE C 114 27.470 -4.774 -3.627 1.00 0.00 H ATOM 3004 N LYS C 115 24.150 -2.136 -3.339 1.00 22.77 N ATOM 3005 CA LYS C 115 23.860 -0.694 -3.488 1.00 23.83 C ATOM 3006 C LYS C 115 24.393 0.172 -2.360 1.00 23.97 C ATOM 3007 O LYS C 115 24.985 1.213 -2.608 1.00 24.50 O ATOM 3008 CB LYS C 115 22.353 -0.497 -3.649 1.00 26.09 C ATOM 3009 CG LYS C 115 21.961 0.960 -3.890 1.00 28.90 C ATOM 3010 CD LYS C 115 20.494 1.200 -4.238 1.00 30.45 C ATOM 3011 CE LYS C 115 20.339 2.660 -4.676 1.00 32.56 C ATOM 3012 NZ LYS C 115 18.917 3.035 -4.934 1.00 35.13 N ATOM 3013 HZ1 LYS C 115 18.532 2.432 -5.689 1.00 0.00 H ATOM 3014 HZ2 LYS C 115 18.361 2.901 -4.065 1.00 0.00 H ATOM 3015 HZ3 LYS C 115 18.870 4.032 -5.227 1.00 0.00 H ATOM 3016 H LYS C 115 23.375 -2.822 -3.435 1.00 0.00 H ATOM 3017 N ASP C 116 24.176 -0.273 -1.126 1.00 24.82 N ATOM 3018 CA ASP C 116 24.549 0.527 0.041 1.00 27.02 C ATOM 3019 C ASP C 116 26.041 0.517 0.312 1.00 25.74 C ATOM 3020 O ASP C 116 26.491 1.173 1.222 1.00 28.53 O ATOM 3021 CB ASP C 116 23.750 0.119 1.312 1.00 30.13 C ATOM 3022 CG ASP C 116 22.250 0.316 1.167 1.00 37.19 C ATOM 3023 OD1 ASP C 116 21.705 1.098 0.314 1.00 42.10 O ATOM 3024 OD2 ASP C 116 21.564 -0.343 1.995 1.00 41.90 O ATOM 3025 H ASP C 116 23.734 -1.204 -0.988 1.00 0.00 H ATOM 3026 N ARG C 117 26.833 -0.186 -0.497 1.00 22.36 N ATOM 3027 CA ARG C 117 28.299 -0.138 -0.404 1.00 21.59 C ATOM 3028 C ARG C 117 28.912 0.700 -1.512 1.00 20.15 C ATOM 3029 O ARG C 117 30.128 0.827 -1.563 1.00 18.98 O ATOM 3030 CB ARG C 117 28.863 -1.563 -0.444 1.00 22.83 C ATOM 3031 CG ARG C 117 28.329 -2.457 0.667 1.00 25.00 C ATOM 3032 CD ARG C 117 29.104 -2.497 1.915 1.00 27.78 C ATOM 3033 NE ARG C 117 28.328 -3.209 2.933 1.00 28.00 N ATOM 3034 CZ ARG C 117 28.633 -4.404 3.431 1.00 30.58 C ATOM 3035 NH1 ARG C 117 29.700 -5.106 3.023 1.00 28.22 N ATOM 3036 NH2 ARG C 117 27.851 -4.890 4.402 1.00 31.08 N ATOM 3037 HE ARG C 117 27.471 -2.744 3.295 1.00 0.00 H ATOM 3038 HH12 ARG C 117 29.900 -6.037 3.440 1.00 0.00 H ATOM 3039 HH11 ARG C 117 30.327 -4.719 2.289 1.00 0.00 H ATOM 3040 HH22 ARG C 117 28.056 -5.821 4.818 1.00 0.00 H ATOM 3041 HH21 ARG C 117 27.038 -4.337 4.741 1.00 0.00 H ATOM 3042 H ARG C 117 26.397 -0.792 -1.222 1.00 0.00 H ATOM 3043 N LEU C 118 28.098 1.319 -2.364 1.00 21.12 N ATOM 3044 CA LEU C 118 28.527 2.072 -3.518 1.00 20.13 C ATOM 3045 C LEU C 118 28.069 3.527 -3.427 1.00 20.07 C ATOM 3046 O LEU C 118 27.126 3.828 -2.709 1.00 22.10 O ATOM 3047 CB LEU C 118 27.986 1.463 -4.805 1.00 20.79 C ATOM 3048 CG LEU C 118 28.499 0.065 -5.164 1.00 22.10 C ATOM 3049 CD1 LEU C 118 27.785 -0.418 -6.396 1.00 24.32 C ATOM 3050 CD2 LEU C 118 29.997 0.046 -5.369 1.00 22.74 C ATOM 3051 H LEU C 118 27.076 1.255 -2.185 1.00 0.00 H ATOM 3052 N ALA C 119 28.747 4.409 -4.089 1.00 20.48 N ATOM 3053 CA ALA C 119 28.309 5.819 -4.317 1.00 20.07 C ATOM 3054 C ALA C 119 28.158 5.982 -5.835 1.00 19.36 C ATOM 3055 O ALA C 119 28.956 5.468 -6.644 1.00 19.26 O ATOM 3056 CB ALA C 119 29.382 6.763 -3.822 1.00 21.65 C ATOM 3057 H ALA C 119 29.661 4.115 -4.490 1.00 0.00 H ATOM 3058 N GLU C 120 27.098 6.658 -6.240 1.00 18.74 N ATOM 3059 CA GLU C 120 26.847 6.870 -7.668 1.00 20.17 C ATOM 3060 C GLU C 120 27.059 8.301 -7.996 1.00 21.12 C ATOM 3061 O GLU C 120 26.639 9.190 -7.215 1.00 18.81 O ATOM 3062 CB GLU C 120 25.395 6.438 -8.049 1.00 24.02 C ATOM 3063 CG GLU C 120 24.295 7.101 -7.244 1.00 29.26 C ATOM 3064 CD GLU C 120 22.920 6.485 -7.456 1.00 34.71 C ATOM 3065 OE1 GLU C 120 22.760 5.552 -8.322 1.00 35.64 O ATOM 3066 OE2 GLU C 120 22.009 6.982 -6.730 1.00 37.15 O ATOM 3067 H GLU C 120 26.435 7.044 -5.538 1.00 0.00 H ATOM 3068 N GLY C 121 27.594 8.586 -9.191 1.00 22.14 N ATOM 3069 CA GLY C 121 27.740 9.988 -9.626 1.00 23.31 C ATOM 3070 C GLY C 121 27.915 10.078 -11.125 1.00 23.93 C ATOM 3071 O GLY C 121 27.789 9.101 -11.864 1.00 21.46 O ATOM 3072 H GLY C 121 27.908 7.815 -9.815 1.00 0.00 H ATOM 3073 N PRO C 122 28.166 11.277 -11.597 1.00 23.77 N ATOM 3074 CA PRO C 122 28.199 11.527 -13.013 1.00 25.11 C ATOM 3075 C PRO C 122 29.420 10.965 -13.686 1.00 26.61 C ATOM 3076 O PRO C 122 30.448 10.788 -13.049 1.00 27.61 O ATOM 3077 CB PRO C 122 28.178 13.062 -13.077 1.00 25.49 C ATOM 3078 CG PRO C 122 28.720 13.552 -11.765 1.00 25.71 C ATOM 3079 CD PRO C 122 28.286 12.518 -10.780 1.00 24.39 C ATOM 3080 N ALA C 123 29.310 10.750 -15.002 1.00 29.39 N ATOM 3081 CA ALA C 123 30.468 10.325 -15.827 1.00 30.30 C ATOM 3082 C ALA C 123 31.565 11.389 -15.868 1.00 31.31 C ATOM 3083 O ALA C 123 31.269 12.578 -15.638 1.00 32.92 O ATOM 3084 CB ALA C 123 30.007 9.986 -17.256 1.00 30.83 C ATOM 3085 H ALA C 123 28.386 10.885 -15.460 1.00 0.00 H TER 3086 ALA C 123 HETATM 3087 ZN ZN A 1 24.164 27.213 10.149 1.00 11.90 ZN HETATM 3088 ZN ZN A 2 43.564 10.640 30.090 1.00 15.02 ZN HETATM 3089 ZN ZN A 3 37.112 1.176 -1.278 1.00 15.56 ZN HETATM 3090 O HOH 4 14.641 27.105 11.856 1.00 19.94 O HETATM 3091 O HOH 5 13.840 24.508 -4.913 1.00 29.41 O HETATM 3092 O HOH 6 28.222 20.925 -3.620 1.00 41.74 O HETATM 3093 O HOH 7 10.048 23.293 -10.367 1.00 27.99 O HETATM 3094 O HOH 8 8.044 15.356 14.766 1.00 50.69 O HETATM 3095 O HOH 9 20.912 6.279 -4.396 1.00 43.41 O HETATM 3096 O HOH 10 21.105 26.392 -6.887 1.00 18.58 O HETATM 3097 O HOH 11 13.109 16.014 22.932 1.00 36.30 O HETATM 3098 O HOH 12 31.758 16.301 8.131 1.00 17.26 O HETATM 3099 O HOH 13 28.823 13.388 3.498 1.00 19.43 O HETATM 3100 O HOH 14 33.784 15.746 -13.371 1.00 38.92 O HETATM 3101 O HOH 15 8.694 12.746 -12.205 1.00 25.91 O HETATM 3102 O HOH 16 14.948 22.713 -6.913 1.00 30.94 O HETATM 3103 O HOH 17 15.195 19.101 -16.016 1.00 21.18 O HETATM 3104 O HOH 18 8.455 11.592 5.164 1.00 19.56 O HETATM 3105 O HOH 19 16.443 21.526 20.368 1.00 24.88 O HETATM 3106 O HOH 20 8.181 15.960 0.274 1.00 23.83 O HETATM 3107 O HOH 21 16.069 12.890 -14.326 1.00 38.50 O HETATM 3108 O HOH 22 30.626 17.108 4.711 1.00 25.41 O HETATM 3109 O HOH 23 9.553 21.528 -0.278 1.00 34.26 O HETATM 3110 O HOH 24 29.059 30.534 5.576 1.00 32.69 O HETATM 3111 O HOH 25 23.452 23.311 -13.147 1.00 27.32 O HETATM 3112 O HOH 26 20.247 25.130 -9.164 1.00 19.39 O HETATM 3113 O HOH 27 29.927 24.504 6.658 1.00 25.08 O HETATM 3114 O HOH 28 30.014 22.861 15.582 1.00 21.92 O HETATM 3115 O HOH 29 27.528 30.186 1.843 1.00 34.57 O HETATM 3116 O HOH 30 10.753 15.885 -14.223 1.00 16.53 O HETATM 3117 O HOH 31 19.841 12.730 -13.603 1.00 43.80 O HETATM 3118 O HOH 32 9.494 9.568 8.453 1.00 35.77 O HETATM 3119 O HOH 33 9.663 20.163 18.937 1.00 50.16 O HETATM 3120 O HOH 34 5.365 8.155 22.408 1.00 47.53 O HETATM 3121 O HOH 35 24.040 14.208 11.797 1.00 24.27 O HETATM 3122 O HOH 36 11.647 8.625 10.906 1.00 33.10 O HETATM 3123 O HOH 37 31.845 23.746 14.005 1.00 36.22 O HETATM 3124 O HOH 38 17.470 32.805 6.935 1.00 29.78 O HETATM 3125 O HOH 39 30.547 15.065 2.354 1.00 32.57 O HETATM 3126 O HOH 40 30.679 24.372 1.062 1.00 41.70 O HETATM 3127 O HOH 41 15.918 30.565 6.460 1.00 29.05 O HETATM 3128 O HOH 42 6.598 18.071 2.111 1.00 28.18 O HETATM 3129 O HOH 43 22.646 3.438 2.776 1.00 47.20 O HETATM 3130 O HOH 44 8.977 14.144 26.656 1.00 37.80 O HETATM 3131 O HOH 45 9.562 19.057 0.084 1.00 29.79 O HETATM 3132 O HOH 46 10.194 22.059 13.608 1.00 38.59 O HETATM 3133 O HOH 47 7.509 20.410 -8.648 1.00 26.03 O HETATM 3134 O HOH 48 7.383 9.795 10.760 1.00 42.22 O HETATM 3135 O HOH 49 6.360 18.301 -10.250 1.00 14.83 O HETATM 3136 O HOH 50 4.217 19.398 -3.944 1.00 32.15 O HETATM 3137 O HOH 51 11.347 13.925 14.896 1.00 21.22 O HETATM 3138 O HOH 52 12.692 9.386 -8.945 1.00 30.70 O HETATM 3139 O HOH 53 32.489 20.767 10.773 1.00 32.20 O HETATM 3140 O HOH 54 15.685 30.408 -4.918 1.00 34.66 O HETATM 3141 O HOH 55 23.440 5.823 -4.209 1.00 42.82 O HETATM 3142 O HOH 56 16.547 15.792 -13.606 1.00 32.70 O HETATM 3143 O HOH 57 28.222 32.927 8.677 1.00 24.63 O HETATM 3144 O HOH 58 20.593 12.651 18.601 1.00 30.09 O HETATM 3145 O HOH 59 23.100 9.228 13.183 1.00 36.80 O HETATM 3146 O HOH 60 32.405 17.459 2.431 1.00 25.67 O HETATM 3147 O HOH 61 6.071 17.661 -2.724 1.00 23.89 O HETATM 3148 O HOH 62 27.058 22.401 8.768 1.00 15.81 O HETATM 3149 O HOH 63 3.836 15.393 -4.425 1.00 23.36 O HETATM 3150 O HOH 64 13.509 19.011 24.624 1.00 40.36 O HETATM 3151 O HOH 65 31.340 20.466 14.786 1.00 27.54 O HETATM 3152 O HOH 66 13.247 21.083 12.833 1.00 37.86 O HETATM 3153 O HOH 67 26.169 12.494 12.350 1.00 17.78 O HETATM 3154 O HOH 68 4.602 7.572 -2.047 1.00 37.80 O HETATM 3155 O HOH 69 23.355 16.062 -16.510 1.00 38.48 O HETATM 3156 O HOH 70 29.589 24.980 3.621 1.00 21.68 O HETATM 3157 O HOH 71 6.603 21.517 -1.393 1.00 31.39 O HETATM 3158 O HOH 72 19.540 5.510 9.192 1.00 56.86 O HETATM 3159 O HOH 73 25.506 22.040 -5.777 1.00 31.97 O HETATM 3160 O HOH 74 29.456 21.102 8.656 1.00 22.75 O HETATM 3161 O HOH 75 16.591 8.133 -9.051 1.00 30.63 O HETATM 3162 O HOH 76 13.085 6.611 6.515 1.00 37.27 O HETATM 3163 O HOH 77 28.459 11.130 6.449 1.00 26.72 O HETATM 3164 O HOH 78 15.259 4.196 5.095 1.00 35.95 O HETATM 3165 O HOH 79 18.714 33.100 -4.740 1.00 33.90 O HETATM 3166 O HOH 80 5.345 16.926 12.059 1.00 41.06 O HETATM 3167 O HOH 81 10.781 7.176 -4.397 1.00 35.47 O HETATM 3168 O HOH 82 19.230 10.342 -11.789 1.00 47.56 O HETATM 3169 O HOH 83 22.892 4.808 -1.864 1.00 37.92 O HETATM 3170 O HOH 84 10.367 12.095 -10.234 1.00 20.25 O HETATM 3171 O HOH 85 2.837 17.858 -3.639 1.00 31.56 O HETATM 3172 O HOH 86 13.949 7.117 11.942 1.00 36.71 O HETATM 3173 O HOH 87 22.604 11.844 12.733 1.00 46.44 O HETATM 3174 O HOH 88 31.048 19.234 8.973 1.00 24.09 O HETATM 3175 O HOH 89 19.433 8.877 15.939 1.00 40.06 O HETATM 3176 O HOH 90 25.611 21.711 -12.103 1.00 36.81 O HETATM 3177 O HOH 91 19.365 6.034 12.394 1.00 43.83 O HETATM 3178 O HOH 92 11.627 11.460 17.893 1.00 44.49 O HETATM 3179 O HOH 93 21.394 7.532 13.120 1.00 42.39 O HETATM 3180 O HOH 94 27.548 25.523 -1.678 1.00 41.16 O HETATM 3181 O HOH 95 7.559 7.482 -7.137 1.00 51.02 O HETATM 3182 O HOH 96 9.293 8.269 12.313 1.00 41.54 O HETATM 3183 O HOH 97 6.309 9.790 -1.492 1.00 43.86 O HETATM 3184 O HOH 98 13.401 29.195 10.465 1.00 29.82 O HETATM 3185 O HOH 99 5.682 21.347 -6.480 1.00 36.14 O HETATM 3186 O HOH 100 7.999 23.440 -6.476 1.00 36.97 O HETATM 3187 O HOH 101 15.556 7.205 -5.408 1.00 37.66 O HETATM 3188 O HOH 102 5.690 20.849 -9.646 1.00 39.03 O HETATM 3189 O HOH 103 11.830 10.809 -14.875 1.00 45.48 O HETATM 3190 O HOH 104 29.239 28.448 9.122 1.00 30.59 O HETATM 3191 O HOH 105 35.367 22.029 -2.161 1.00 43.47 O HETATM 3192 O HOH 106 23.335 27.953 -7.588 1.00 32.12 O HETATM 3193 O HOH 107 30.801 26.654 7.863 1.00 40.43 O HETATM 3194 O HOH 108 22.536 25.488 -10.823 1.00 32.10 O HETATM 3195 O HOH 109 6.832 9.594 4.176 1.00 33.38 O HETATM 3196 O HOH 110 12.860 3.460 5.843 1.00 51.20 O HETATM 3197 O HOH 111 10.000 2.520 2.958 1.00 40.88 O HETATM 3198 O HOH 112 11.586 9.691 19.830 1.00 50.22 O HETATM 3199 O HOH 113 30.304 -1.448 26.750 1.00 18.78 O HETATM 3200 O HOH 114 42.226 -4.213 26.142 1.00 38.72 O HETATM 3201 O HOH 115 15.851 9.685 26.353 1.00 29.27 O HETATM 3202 O HOH 116 39.535 -3.091 13.009 1.00 39.04 O HETATM 3203 O HOH 117 30.767 7.943 9.312 1.00 32.40 O HETATM 3204 O HOH 118 40.286 7.678 11.976 1.00 25.52 O HETATM 3205 O HOH 119 41.557 17.203 19.052 1.00 35.19 O HETATM 3206 O HOH 120 20.139 13.430 33.623 1.00 39.34 O HETATM 3207 O HOH 121 20.712 10.450 17.874 1.00 36.05 O HETATM 3208 O HOH 122 19.290 5.354 36.816 1.00 38.35 O HETATM 3209 O HOH 123 15.827 -0.539 26.272 1.00 35.90 O HETATM 3210 O HOH 124 31.545 -3.578 17.327 1.00 19.84 O HETATM 3211 O HOH 125 8.821 5.649 20.508 1.00 44.50 O HETATM 3212 O HOH 126 28.665 10.432 8.993 1.00 22.56 O HETATM 3213 O HOH 127 43.771 1.142 29.314 1.00 29.80 O HETATM 3214 O HOH 128 36.340 -1.483 12.704 1.00 27.37 O HETATM 3215 O HOH 129 19.688 9.351 36.844 1.00 33.82 O HETATM 3216 O HOH 130 28.920 -3.981 23.242 1.00 27.20 O HETATM 3217 O HOH 131 26.582 10.794 34.342 1.00 17.18 O HETATM 3218 O HOH 132 40.014 15.645 16.126 1.00 26.94 O HETATM 3219 O HOH 133 33.104 17.985 27.192 1.00 31.58 O HETATM 3220 O HOH 134 23.901 10.086 33.963 1.00 15.47 O HETATM 3221 O HOH 135 39.217 2.509 34.464 1.00 18.85 O HETATM 3222 O HOH 136 37.658 18.107 14.683 1.00 33.38 O HETATM 3223 O HOH 137 47.404 -0.465 24.765 1.00 34.40 O HETATM 3224 O HOH 138 27.336 2.993 33.007 1.00 32.34 O HETATM 3225 O HOH 139 37.768 16.922 32.278 1.00 43.13 O HETATM 3226 O HOH 140 45.634 12.561 16.591 1.00 30.29 O HETATM 3227 O HOH 141 24.353 -7.247 24.599 1.00 36.94 O HETATM 3228 O HOH 142 48.762 4.454 20.091 1.00 28.51 O HETATM 3229 O HOH 143 22.561 10.424 16.338 1.00 30.44 O HETATM 3230 O HOH 144 35.819 -5.838 14.346 1.00 31.06 O HETATM 3231 O HOH 145 49.387 15.083 29.969 1.00 48.11 O HETATM 3232 O HOH 146 32.414 14.813 10.436 1.00 13.20 O HETATM 3233 O HOH 147 28.379 12.371 10.854 1.00 16.21 O HETATM 3234 O HOH 148 16.181 8.611 33.623 1.00 35.90 O HETATM 3235 O HOH 149 24.642 4.311 31.441 1.00 28.31 O HETATM 3236 O HOH 150 41.395 14.021 25.910 1.00 17.37 O HETATM 3237 O HOH 151 39.838 17.352 27.908 1.00 33.73 O HETATM 3238 O HOH 152 17.234 0.337 21.715 1.00 33.65 O HETATM 3239 O HOH 153 41.149 16.617 33.694 1.00 39.40 O HETATM 3240 O HOH 154 16.909 22.855 25.458 1.00 22.09 O HETATM 3241 O HOH 155 40.963 12.502 16.969 1.00 31.75 O HETATM 3242 O HOH 156 19.342 3.042 19.899 1.00 35.50 O HETATM 3243 O HOH 157 15.803 9.121 22.917 1.00 34.91 O HETATM 3244 O HOH 158 45.188 -7.963 13.367 1.00 41.44 O HETATM 3245 O HOH 159 31.934 20.013 22.321 1.00 35.59 O HETATM 3246 O HOH 160 34.709 15.041 18.333 1.00 14.27 O HETATM 3247 O HOH 161 41.754 -2.367 16.658 1.00 18.20 O HETATM 3248 O HOH 162 40.984 10.347 17.084 1.00 24.60 O HETATM 3249 O HOH 163 31.730 1.232 11.835 1.00 29.65 O HETATM 3250 O HOH 164 30.161 4.047 10.082 1.00 31.53 O HETATM 3251 O HOH 165 43.753 1.096 31.787 1.00 32.50 O HETATM 3252 O HOH 166 22.097 -2.894 30.579 1.00 33.71 O HETATM 3253 O HOH 167 37.631 -7.850 21.646 1.00 18.88 O HETATM 3254 O HOH 168 26.114 4.639 36.009 1.00 32.67 O HETATM 3255 O HOH 169 38.663 10.165 36.404 1.00 33.48 O HETATM 3256 O HOH 170 23.787 11.980 14.993 1.00 26.69 O HETATM 3257 O HOH 171 41.576 10.541 37.391 1.00 36.37 O HETATM 3258 O HOH 172 37.530 17.430 29.912 1.00 27.47 O HETATM 3259 O HOH 173 47.253 6.793 19.775 1.00 25.81 O HETATM 3260 O HOH 174 18.234 7.049 18.724 1.00 43.39 O HETATM 3261 O HOH 175 44.935 -11.719 6.856 1.00 51.26 O HETATM 3262 O HOH 176 33.046 17.022 19.505 1.00 15.11 O HETATM 3263 O HOH 177 41.143 -9.172 15.644 1.00 37.77 O HETATM 3264 O HOH 178 20.152 1.990 33.509 1.00 37.15 O HETATM 3265 O HOH 179 47.533 10.515 23.259 1.00 32.29 O HETATM 3266 O HOH 180 23.573 7.100 11.620 1.00 47.06 O HETATM 3267 O HOH 181 20.964 -7.306 16.521 1.00 50.40 O HETATM 3268 O HOH 182 32.259 3.988 38.212 1.00 35.47 O HETATM 3269 O HOH 183 29.014 23.403 20.845 1.00 26.36 O HETATM 3270 O HOH 184 39.392 7.776 38.207 1.00 41.20 O HETATM 3271 O HOH 185 35.681 6.860 10.087 1.00 29.85 O HETATM 3272 O HOH 186 24.383 10.185 40.569 1.00 39.29 O HETATM 3273 O HOH 187 21.763 0.011 15.327 1.00 38.19 O HETATM 3274 O HOH 188 22.443 16.718 29.099 1.00 25.62 O HETATM 3275 O HOH 189 42.095 3.403 34.362 1.00 27.51 O HETATM 3276 O HOH 190 33.724 19.372 29.620 1.00 56.26 O HETATM 3277 O HOH 191 26.633 -0.644 32.658 1.00 34.92 O HETATM 3278 O HOH 192 47.341 10.526 17.103 1.00 34.45 O HETATM 3279 O HOH 193 22.684 19.484 28.545 1.00 19.17 O HETATM 3280 O HOH 194 36.242 18.232 22.099 1.00 37.79 O HETATM 3281 O HOH 195 21.717 -8.730 24.357 1.00 40.52 O HETATM 3282 O HOH 196 50.330 12.966 26.694 1.00 39.13 O HETATM 3283 O HOH 197 26.069 -6.854 26.294 1.00 28.55 O HETATM 3284 O HOH 198 20.890 20.997 30.121 1.00 29.45 O HETATM 3285 O HOH 199 12.747 2.971 23.663 1.00 36.02 O HETATM 3286 O HOH 200 21.406 5.589 16.384 1.00 36.64 O HETATM 3287 O HOH 201 24.499 -11.128 27.375 1.00 31.98 O HETATM 3288 O HOH 202 24.899 20.363 30.011 1.00 29.80 O HETATM 3289 O HOH 203 44.759 17.315 24.740 1.00 45.09 O HETATM 3290 O HOH 204 42.071 -0.481 9.964 1.00 44.14 O HETATM 3291 O HOH 205 40.786 -9.709 18.556 1.00 35.88 O HETATM 3292 O HOH 206 39.688 19.921 18.630 1.00 44.85 O HETATM 3293 O HOH 207 24.365 -1.749 16.307 1.00 49.51 O HETATM 3294 O HOH 208 33.757 18.195 21.957 1.00 34.61 O HETATM 3295 O HOH 209 41.937 16.441 24.805 1.00 29.91 O HETATM 3296 O HOH 210 22.776 12.576 34.642 1.00 26.95 O HETATM 3297 O HOH 211 26.801 12.243 40.421 1.00 32.22 O HETATM 3298 O HOH 212 21.988 2.051 7.836 1.00 52.77 O HETATM 3299 O HOH 213 29.904 -5.078 15.824 1.00 32.88 O HETATM 3300 O HOH 214 30.489 -3.546 12.206 1.00 41.88 O HETATM 3301 O HOH 215 19.363 0.388 18.570 1.00 44.23 O HETATM 3302 O HOH 216 39.372 -10.015 14.208 1.00 39.81 O HETATM 3303 O HOH 217 25.731 22.864 30.534 1.00 36.77 O HETATM 3304 O HOH 218 28.429 -10.834 -18.402 1.00 43.53 O HETATM 3305 O HOH 219 35.596 7.679 -12.889 1.00 39.85 O HETATM 3306 O HOH 220 32.980 -18.151 -2.543 1.00 27.84 O HETATM 3307 O HOH 221 23.737 -22.289 -14.198 1.00 41.67 O HETATM 3308 O HOH 222 37.514 5.904 3.985 1.00 35.75 O HETATM 3309 O HOH 223 30.473 1.162 2.931 1.00 31.01 O HETATM 3310 O HOH 224 34.692 -16.011 -1.983 1.00 25.40 O HETATM 3311 O HOH 225 29.787 -20.216 1.008 1.00 49.59 O HETATM 3312 O HOH 226 42.006 -4.567 -7.788 1.00 28.75 O HETATM 3313 O HOH 227 41.538 -5.109 -1.233 1.00 27.10 O HETATM 3314 O HOH 228 18.471 -19.153 -12.926 1.00 38.66 O HETATM 3315 O HOH 229 33.019 9.906 -12.402 1.00 36.43 O HETATM 3316 O HOH 230 32.925 -1.840 4.237 1.00 31.11 O HETATM 3317 O HOH 231 15.289 2.018 -5.864 1.00 48.84 O HETATM 3318 O HOH 232 19.148 -18.792 6.388 1.00 41.36 O HETATM 3319 O HOH 233 17.415 -15.329 3.334 1.00 44.82 O HETATM 3320 O HOH 234 26.313 -5.107 -20.266 1.00 37.82 O HETATM 3321 O HOH 235 38.286 -2.247 4.579 1.00 42.18 O HETATM 3322 O HOH 236 20.911 -5.163 -12.100 1.00 23.41 O HETATM 3323 O HOH 237 33.838 -11.335 -15.212 1.00 25.08 O HETATM 3324 O HOH 238 14.535 -5.195 -19.542 1.00 31.62 O HETATM 3325 O HOH 239 17.605 2.863 -2.538 1.00 45.68 O HETATM 3326 O HOH 240 29.565 -6.450 -21.063 1.00 45.17 O HETATM 3327 O HOH 241 24.566 3.651 -3.793 1.00 35.66 O HETATM 3328 O HOH 242 39.236 1.665 -10.653 1.00 28.46 O HETATM 3329 O HOH 243 28.645 -24.646 -3.116 1.00 46.77 O HETATM 3330 O HOH 244 31.376 -10.601 -15.551 1.00 30.26 O HETATM 3331 O HOH 245 31.687 0.364 0.692 1.00 20.59 O HETATM 3332 O HOH 246 16.660 -13.140 -1.134 1.00 40.11 O HETATM 3333 O HOH 247 43.626 -3.128 -0.848 1.00 33.37 O HETATM 3334 O HOH 248 41.635 0.170 4.014 1.00 33.95 O HETATM 3335 O HOH 249 42.058 -12.255 -7.085 1.00 41.30 O HETATM 3336 O HOH 250 20.684 -15.552 1.702 1.00 29.09 O HETATM 3337 O HOH 251 27.585 -18.491 2.575 1.00 33.25 O HETATM 3338 O HOH 252 27.561 0.414 3.727 1.00 39.32 O HETATM 3339 O HOH 253 35.089 -7.014 -15.651 1.00 18.01 O HETATM 3340 O HOH 254 33.444 -15.871 -9.484 1.00 38.67 O HETATM 3341 O HOH 255 21.812 -22.647 -0.158 1.00 37.72 O HETATM 3342 O HOH 256 29.358 -13.498 1.250 1.00 26.30 O HETATM 3343 O HOH 257 39.361 3.715 -14.838 1.00 38.61 O HETATM 3344 O HOH 258 39.146 -6.677 3.465 1.00 37.88 O HETATM 3345 O HOH 259 44.057 -5.142 -3.599 1.00 35.15 O HETATM 3346 O HOH 260 15.042 -0.852 -10.043 1.00 39.01 O HETATM 3347 O HOH 261 31.100 6.622 3.084 1.00 44.54 O HETATM 3348 O HOH 262 35.696 -5.922 4.215 1.00 43.49 O HETATM 3349 O HOH 263 21.864 -2.297 -0.222 1.00 27.59 O HETATM 3350 O HOH 264 32.115 -17.570 -8.782 1.00 41.20 O HETATM 3351 O HOH 265 9.625 -2.890 -9.143 1.00 43.91 O HETATM 3352 O HOH 266 42.738 -0.775 -8.771 1.00 26.60 O HETATM 3353 O HOH 267 26.490 11.367 -16.135 1.00 38.77 O HETATM 3354 O HOH 268 33.775 2.595 -14.255 1.00 51.12 O HETATM 3355 O HOH 269 42.531 -3.832 3.132 1.00 40.94 O HETATM 3356 O HOH 270 45.412 -5.814 -1.325 1.00 39.79 O HETATM 3357 O HOH 271 15.317 -15.098 6.861 1.00 49.10 O HETATM 3358 O HOH 272 19.474 -23.383 -12.601 1.00 45.23 O HETATM 3359 O HOH 273 18.253 2.793 -10.531 1.00 45.52 O HETATM 3360 O HOH 274 34.940 9.771 -14.345 1.00 34.86 O HETATM 3361 O HOH 275 36.161 0.528 4.022 1.00 49.09 O HETATM 3362 O HOH 276 17.218 -10.742 -8.874 1.00 26.67 O HETATM 3363 O HOH 277 17.577 -20.089 -6.371 1.00 59.00 O HETATM 3364 O HOH 278 35.566 -16.316 0.671 1.00 36.85 O HETATM 3365 O HOH 279 15.877 4.403 -7.354 1.00 45.83 O HETATM 3366 O HOH 280 32.587 -18.942 0.068 1.00 36.35 O HETATM 3367 O HOH 281 33.465 -4.751 4.298 1.00 27.13 O HETATM 3368 O HOH 282 30.991 -15.503 2.636 1.00 26.24 O HETATM 3369 O HOH 283 30.458 -17.128 6.353 1.00 36.23 O HETATM 3370 O HOH 284 33.142 -16.973 1.849 1.00 33.27 O HETATM 3371 C4 JOQ A 285 22.715 13.958 26.383 1.00 0.23 C HETATM 3372 N1 JOQ A 285 22.182 12.810 25.866 1.00 -0.20 N HETATM 3373 C1 JOQ A 285 23.078 11.770 25.815 1.00 0.21 C HETATM 3374 C2 JOQ A 285 24.335 12.192 26.522 1.00 0.08 C HETATM 3375 C3 JOQ A 285 24.177 13.708 26.686 1.00 0.15 C HETATM 3376 N2 JOQ A 285 24.508 14.152 28.012 1.00 -0.24 N HETATM 3377 C5 JOQ A 285 25.078 15.342 28.246 1.00 0.32 C HETATM 3378 O3 JOQ A 285 25.201 15.529 29.568 1.00 -0.25 O HETATM 3379 C6 JOQ A 285 25.512 16.884 29.979 1.00 0.11 C HETATM 3380 C7 JOQ A 285 26.999 17.040 30.110 1.00 -0.02 C HETATM 3381 C8 JOQ A 285 27.630 16.811 31.321 1.00 -0.06 C HETATM 3382 C9 JOQ A 285 29.001 16.955 31.441 1.00 -0.06 C HETATM 3383 C10 JOQ A 285 29.774 17.331 30.354 1.00 -0.01 C HETATM 3384 C11 JOQ A 285 29.140 17.560 29.143 1.00 -0.06 C HETATM 3385 C12 JOQ A 285 27.769 17.416 29.023 1.00 -0.06 C HETATM 3386 H6 JOQ A 285 27.293 17.600 28.067 1.00 0.05 H HETATM 3387 H3 JOQ A 285 29.725 17.855 28.280 1.00 0.05 H HETATM 3388 C13 JOQ A 285 31.270 17.488 30.486 1.00 -0.00 C HETATM 3389 N3 JOQ A 285 31.645 18.321 31.634 1.00 0.23 N HETATM 3390 H12 JOQ A 285 32.649 18.396 31.681 1.00 0.20 H HETATM 3391 H13 JOQ A 285 31.300 17.899 32.482 1.00 0.20 H HETATM 3392 H14 JOQ A 285 31.244 19.239 31.528 1.00 0.20 H HETATM 3393 H7 JOQ A 285 31.659 17.955 29.569 1.00 0.10 H HETATM 3394 H8 JOQ A 285 31.720 16.492 30.610 1.00 0.10 H HETATM 3395 H5 JOQ A 285 29.477 16.771 32.398 1.00 0.05 H HETATM 3396 H4 JOQ A 285 27.044 16.516 32.184 1.00 0.05 H HETATM 3397 H1 JOQ A 285 25.134 17.591 29.226 1.00 0.08 H HETATM 3398 H2 JOQ A 285 25.035 17.091 30.948 1.00 0.08 H HETATM 3399 O4 JOQ A 285 25.428 16.126 27.394 1.00 -0.38 O HETATM 3400 H10 JOQ A 285 24.306 13.553 28.787 1.00 0.19 H HETATM 3401 H11 JOQ A 285 24.816 14.237 25.964 1.00 0.08 H HETATM 3402 H15 JOQ A 285 24.417 11.699 27.502 1.00 0.06 H HETATM 3403 H16 JOQ A 285 25.222 11.954 25.917 1.00 0.06 H HETATM 3404 O1 JOQ A 285 22.855 10.699 25.277 1.00 -0.39 O HETATM 3405 H9 JOQ A 285 21.234 12.735 25.556 1.00 0.23 H HETATM 3406 O2 JOQ A 285 22.116 15.001 26.566 1.00 -0.38 O CONECT 1 2 8 9 10 CONECT 8 1 CONECT 9 1 CONECT 10 1 CONECT 95 94 3087 CONECT 131 130 3087 CONECT 735 734 3087 CONECT 759 758 3087 CONECT 1048 1049 1053 1054 1055 CONECT 1053 1048 CONECT 1054 1048 CONECT 1055 1048 CONECT 1087 1088 1094 1095 1096 CONECT 1094 1087 CONECT 1095 1087 CONECT 1096 1087 CONECT 1140 1139 3088 CONECT 1176 1175 3088 CONECT 1780 1779 3088 CONECT 1804 1803 3088 CONECT 2083 2084 2087 2088 2089 CONECT 2087 2083 CONECT 2088 2083 CONECT 2089 2083 CONECT 2147 2146 3089 CONECT 2183 2182 3089 CONECT 2784 2783 3089 CONECT 2808 2807 3089 CONECT 3087 95 131 735 759 CONECT 3088 1140 1176 1780 1804 CONECT 3089 2147 2183 2784 2808 CONECT 3371 3372 3375 3406 CONECT 3372 3371 3373 3405 CONECT 3373 3372 3374 3404 CONECT 3374 3373 3375 3402 3403 CONECT 3375 3371 3374 3376 3401 CONECT 3376 3375 3377 3400 CONECT 3377 3376 3378 3399 CONECT 3378 3377 3379 CONECT 3379 3378 3380 3397 3398 CONECT 3380 3379 3381 3385 CONECT 3381 3380 3382 3396 CONECT 3382 3381 3383 3395 CONECT 3383 3382 3384 3388 CONECT 3384 3383 3385 3387 CONECT 3385 3380 3384 3386 CONECT 3386 3385 CONECT 3387 3384 CONECT 3388 3383 3389 3393 3394 CONECT 3389 3388 3390 3391 3392 CONECT 3390 3389 CONECT 3391 3389 CONECT 3392 3389 CONECT 3393 3388 CONECT 3394 3388 CONECT 3395 3382 CONECT 3396 3381 CONECT 3397 3379 CONECT 3398 3379 CONECT 3399 3377 CONECT 3400 3376 CONECT 3401 3375 CONECT 3402 3374 CONECT 3403 3374 CONECT 3404 3373 CONECT 3405 3372 CONECT 3406 3371 MASTER 0 0 0 0 0 0 0 0 3402 4 67 27 END
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Structure:
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Related entries of code: 6r18
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%
6r1a
RCSB PDB
PDBbind
125aa, >6R1A_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
6r18
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Cereblon isoform 4
Ligand Name
JOQ
EC.Number
E.C.-.-.-.-
Resolution
1.35(Å)
Affinity (Kd/Ki/IC50)
Ki=12uM
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
3
H
1
6
N
3
O
4
Molecular Weight
278.284
Exact Mass
278.114
No. of atoms
36
No. of bonds
37
Polar Surface Area
112.14
LOGP Value
-0.83 (
Computed with XLOGP3
)
-0.21 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 7
No. of Rings: 2
Canonical SMILES
[NH3+]Cc1ccc(cc1)COC(=O)N[C@H]1CC(=O)NC1=O
InChI String
InChI=1S/C13H15N3O4/c14-6-8-1-3-9(4-2-8)7-20-13(19)15-10-5-11(17)16-12(10)18/h1-4,10H,5-7,14H2,(H,15,19)(H,16,17,18)/p+1/t10-/m0/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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