Browse entries in the PDBbind-CN Database
HEADER 2NND_COMPLEX COMPND 2NND_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 58 GLU GLU ALA SER SER THR GLY ARG ASN PHE ASN VAL GLU SEQRES 2 A 58 LYS ILE ASN GLY GLU TRP HIS THR ILE ILE LEU ALA SER SEQRES 3 A 58 ASP LYS ARG GLU LYS ILE GLU ASP ASN GLY ASN PHE ARG SEQRES 4 A 58 LEU PHE LEU GLU GLN ILE HIS VAL LEU GLU LYS SER LEU SEQRES 5 A 58 VAL LEU LYS PHE HIS GLY SEQRES 1 A 90 SER GLU LEU SER MET VAL ALA ASP LYS THR GLU LYS ALA SEQRES 2 A 90 GLY GLU TYR SER VAL THR TYR ASP GLY PHE ASN THR PHE SEQRES 3 A 90 THR ILE PRO LYS THR ASP TYR ASP ASN PHE LEU MET ALA SEQRES 4 A 90 HIS LEU ILE ASN GLU LYS ASP GLY GLU THR PHE GLN LEU SEQRES 5 A 90 MET GLY LEU TYR GLY ARG GLU PRO ASP LEU SER SER ASP SEQRES 6 A 90 ILE LYS GLU ARG PHE ALA GLN LEU CYS GLU GLU HIS GLY SEQRES 7 A 90 ILE LEU ARG GLU ASN ILE ILE ASP LEU SER ASN ALA HET CD A 1 1 HET CD A 2 1 HET CD A 3 1 HET CD A 4 1 HET PRZ A 378 26 ATOM 1 N GLU A 1 28.827 30.287 49.006 1.00 20.00 N ATOM 2 CA GLU A 1 28.756 30.170 47.554 1.00 20.00 C ATOM 3 C GLU A 1 30.009 29.505 46.993 1.00 20.00 C ATOM 4 O GLU A 1 31.126 29.784 47.460 1.00 27.89 O ATOM 5 CB GLU A 1 28.551 31.538 46.921 1.00 20.00 C ATOM 6 HA GLU A 1 27.902 29.539 47.308 1.00 0.00 H ATOM 7 HB2 GLU A 1 27.621 31.971 47.289 1.00 0.00 H ATOM 8 HB3 GLU A 1 29.385 32.188 47.185 1.00 0.00 H ATOM 9 HN3 GLU A 1 29.654 30.862 49.266 1.00 0.00 H ATOM 10 HN2 GLU A 1 28.917 29.339 49.425 1.00 0.00 H ATOM 11 HN1 GLU A 1 27.961 30.743 49.359 1.00 0.00 H ATOM 12 N GLU A 2 29.822 28.610 46.035 1.00 25.30 N ATOM 13 CA GLU A 2 30.936 27.922 45.384 1.00 23.48 C ATOM 14 C GLU A 2 30.950 28.181 43.888 1.00 22.07 C ATOM 15 O GLU A 2 29.927 28.532 43.288 1.00 22.04 O ATOM 16 CB GLU A 2 30.908 26.423 45.683 1.00 23.34 C ATOM 17 CG GLU A 2 31.202 26.119 47.151 1.00 23.91 C ATOM 18 CD GLU A 2 31.181 24.643 47.497 1.00 24.65 C ATOM 19 OE1 GLU A 2 31.357 24.341 48.701 1.00 25.95 O ATOM 20 OE2 GLU A 2 30.989 23.797 46.589 1.00 25.76 O ATOM 21 HA GLU A 2 31.859 28.329 45.797 1.00 0.00 H ATOM 22 HB2 GLU A 2 29.920 26.034 45.435 1.00 0.00 H ATOM 23 HB3 GLU A 2 31.657 25.928 45.065 1.00 0.00 H ATOM 24 HG2 GLU A 2 32.190 26.512 47.391 1.00 0.00 H ATOM 25 HG3 GLU A 2 30.453 26.624 47.761 1.00 0.00 H ATOM 26 H GLU A 2 28.851 28.389 45.736 1.00 0.00 H ATOM 27 N ALA A 3 32.121 28.011 43.287 1.00 19.80 N ATOM 28 CA ALA A 3 32.309 28.337 41.878 1.00 18.49 C ATOM 29 C ALA A 3 33.399 27.482 41.243 1.00 17.52 C ATOM 30 O ALA A 3 34.254 26.936 41.935 1.00 16.25 O ATOM 31 CB ALA A 3 32.641 29.818 41.715 1.00 19.06 C ATOM 32 HA ALA A 3 31.373 28.121 41.363 1.00 0.00 H ATOM 33 HB1 ALA A 3 31.823 30.418 42.113 1.00 0.00 H ATOM 34 HB2 ALA A 3 33.558 30.045 42.258 1.00 0.00 H ATOM 35 HB3 ALA A 3 32.778 30.044 40.658 1.00 0.00 H ATOM 36 H ALA A 3 32.923 27.637 43.833 1.00 0.00 H ATOM 37 N SER A 4 33.340 27.376 39.919 1.00 17.08 N ATOM 38 CA SER A 4 34.400 26.795 39.105 1.00 16.91 C ATOM 39 C SER A 4 34.948 27.918 38.239 1.00 16.24 C ATOM 40 O SER A 4 34.192 28.803 37.833 1.00 15.94 O ATOM 41 CB SER A 4 33.841 25.693 38.206 1.00 17.71 C ATOM 42 OG SER A 4 34.772 25.350 37.183 1.00 21.52 O ATOM 43 HA SER A 4 35.172 26.356 39.737 1.00 0.00 H ATOM 44 HB2 SER A 4 32.917 26.042 37.745 1.00 0.00 H ATOM 45 HB3 SER A 4 33.633 24.810 38.810 1.00 0.00 H ATOM 46 HG SER A 4 35.612 25.028 37.597 1.00 0.00 H ATOM 47 H SER A 4 32.489 27.728 39.437 1.00 0.00 H ATOM 48 N SER A 5 36.250 27.888 37.955 1.00 15.47 N ATOM 49 CA SER A 5 36.863 28.918 37.110 1.00 15.89 C ATOM 50 C SER A 5 36.250 28.962 35.710 1.00 16.99 C ATOM 51 O SER A 5 36.262 30.000 35.046 1.00 17.19 O ATOM 52 CB SER A 5 38.388 28.761 37.045 1.00 15.90 C ATOM 53 OG SER A 5 38.750 27.593 36.330 1.00 12.37 O ATOM 54 HA SER A 5 36.647 29.877 37.582 1.00 0.00 H ATOM 55 HB2 SER A 5 38.783 28.695 38.059 1.00 0.00 H ATOM 56 HB3 SER A 5 38.815 29.631 36.546 1.00 0.00 H ATOM 57 HG SER A 5 39.737 27.516 36.303 1.00 0.00 H ATOM 58 H SER A 5 36.840 27.122 38.339 1.00 0.00 H ATOM 59 N THR A 6 35.690 27.839 35.280 1.00 17.84 N ATOM 60 CA THR A 6 35.115 27.744 33.941 1.00 19.48 C ATOM 61 C THR A 6 33.645 28.151 33.926 1.00 20.54 C ATOM 62 O THR A 6 33.043 28.251 32.859 1.00 21.51 O ATOM 63 CB THR A 6 35.311 26.346 33.334 1.00 19.22 C ATOM 64 OG1 THR A 6 34.849 25.350 34.251 1.00 21.16 O ATOM 65 CG2 THR A 6 36.787 26.117 33.033 1.00 19.50 C ATOM 66 HA THR A 6 35.657 28.452 33.314 1.00 0.00 H ATOM 67 HB THR A 6 34.739 26.276 32.409 1.00 0.00 H ATOM 68 HG1 THR A 6 35.363 25.416 35.095 1.00 0.00 H ATOM 69 HG23 THR A 6 37.136 26.877 32.334 1.00 0.00 H ATOM 70 HG21 THR A 6 37.359 26.182 33.958 1.00 0.00 H ATOM 71 HG22 THR A 6 36.917 25.129 32.592 1.00 0.00 H ATOM 72 H THR A 6 35.660 27.011 35.908 1.00 0.00 H ATOM 73 N GLY A 7 33.091 28.404 35.113 1.00 21.37 N ATOM 74 CA GLY A 7 31.689 28.793 35.271 1.00 22.79 C ATOM 75 C GLY A 7 31.424 30.264 35.004 1.00 23.75 C ATOM 76 O GLY A 7 32.317 31.108 35.120 1.00 23.90 O ATOM 77 HA3 GLY A 7 31.384 28.569 36.293 1.00 0.00 H ATOM 78 HA2 GLY A 7 31.089 28.205 34.577 1.00 0.00 H ATOM 79 H GLY A 7 33.682 28.321 35.965 1.00 0.00 H ATOM 80 N ARG A 8 30.180 30.581 34.683 1.00 20.00 N ATOM 81 CA ARG A 8 29.776 31.926 34.292 1.00 20.00 C ATOM 82 C ARG A 8 29.933 32.907 35.449 1.00 20.00 C ATOM 83 O ARG A 8 30.279 34.095 35.202 1.00 26.82 O ATOM 84 CB ARG A 8 28.341 31.923 33.788 1.00 20.00 C ATOM 85 HA ARG A 8 30.431 32.253 33.484 1.00 0.00 H ATOM 86 HB2 ARG A 8 28.262 31.263 32.924 1.00 0.00 H ATOM 87 HB3 ARG A 8 27.680 31.569 34.579 1.00 0.00 H ATOM 88 H ARG A 8 29.456 29.835 34.711 1.00 0.00 H ATOM 89 N ASN A 9 29.670 32.483 36.662 1.00 25.40 N ATOM 90 CA ASN A 9 29.700 33.383 37.814 1.00 24.65 C ATOM 91 C ASN A 9 31.032 33.419 38.582 1.00 23.22 C ATOM 92 O ASN A 9 31.091 33.970 39.677 1.00 23.30 O ATOM 93 CB ASN A 9 28.516 33.107 38.758 1.00 25.51 C ATOM 94 CG ASN A 9 28.666 31.811 39.549 1.00 28.10 C ATOM 95 OD1 ASN A 9 29.568 31.006 39.298 1.00 31.85 O ATOM 96 ND2 ASN A 9 27.773 31.607 40.516 1.00 30.96 N ATOM 97 HA ASN A 9 29.601 34.383 37.393 1.00 0.00 H ATOM 98 HB2 ASN A 9 28.434 33.935 39.462 1.00 0.00 H ATOM 99 HB3 ASN A 9 27.605 33.046 38.163 1.00 0.00 H ATOM 100 HD22 ASN A 9 27.029 32.312 40.694 1.00 0.00 H ATOM 101 HD21 ASN A 9 27.820 30.743 41.093 1.00 0.00 H ATOM 102 H ASN A 9 29.434 31.481 36.808 1.00 0.00 H ATOM 103 N PHE A 10 32.089 32.837 38.009 1.00 20.97 N ATOM 104 CA PHE A 10 33.411 32.842 38.649 1.00 19.28 C ATOM 105 C PHE A 10 33.939 34.259 38.825 1.00 18.90 C ATOM 106 O PHE A 10 33.900 35.073 37.897 1.00 18.82 O ATOM 107 CB PHE A 10 34.411 32.022 37.833 1.00 18.97 C ATOM 108 CG PHE A 10 35.768 31.875 38.484 1.00 17.10 C ATOM 109 CD1 PHE A 10 35.911 31.218 39.708 1.00 18.04 C ATOM 110 CD2 PHE A 10 36.902 32.360 37.853 1.00 15.74 C ATOM 111 CE1 PHE A 10 37.170 31.072 40.298 1.00 16.62 C ATOM 112 CE2 PHE A 10 38.163 32.209 38.430 1.00 16.96 C ATOM 113 CZ PHE A 10 38.293 31.571 39.661 1.00 16.90 C ATOM 114 HA PHE A 10 33.295 32.391 39.634 1.00 0.00 H ATOM 115 HB2 PHE A 10 33.994 31.026 37.682 1.00 0.00 H ATOM 116 HB3 PHE A 10 34.546 32.509 36.867 1.00 0.00 H ATOM 117 HD2 PHE A 10 36.808 32.867 36.892 1.00 0.00 H ATOM 118 HE2 PHE A 10 39.046 32.590 37.918 1.00 0.00 H ATOM 119 HZ PHE A 10 39.275 31.465 40.121 1.00 0.00 H ATOM 120 HE1 PHE A 10 37.267 30.566 41.258 1.00 0.00 H ATOM 121 HD1 PHE A 10 35.031 30.814 40.209 1.00 0.00 H ATOM 122 H PHE A 10 31.973 32.369 37.087 1.00 0.00 H ATOM 123 N ASN A 11 34.442 34.539 40.025 1.00 18.05 N ATOM 124 CA ASN A 11 35.043 35.827 40.329 1.00 17.92 C ATOM 125 C ASN A 11 36.512 35.620 40.678 1.00 16.75 C ATOM 126 O ASN A 11 36.856 35.400 41.838 1.00 16.49 O ATOM 127 CB ASN A 11 34.306 36.504 41.489 1.00 18.78 C ATOM 128 CG ASN A 11 34.744 37.944 41.699 1.00 20.49 C ATOM 129 OD1 ASN A 11 35.741 38.403 41.128 1.00 23.20 O ATOM 130 ND2 ASN A 11 33.991 38.671 42.519 1.00 22.84 N ATOM 131 HA ASN A 11 34.965 36.477 39.458 1.00 0.00 H ATOM 132 HB2 ASN A 11 33.237 36.491 41.278 1.00 0.00 H ATOM 133 HB3 ASN A 11 34.502 35.943 42.403 1.00 0.00 H ATOM 134 HD22 ASN A 11 33.161 38.244 42.978 1.00 0.00 H ATOM 135 HD21 ASN A 11 34.232 39.666 42.701 1.00 0.00 H ATOM 136 H ASN A 11 34.404 33.813 40.769 1.00 0.00 H ATOM 137 N VAL A 12 37.377 35.698 39.670 1.00 16.05 N ATOM 138 CA VAL A 12 38.804 35.440 39.852 1.00 15.24 C ATOM 139 C VAL A 12 39.456 36.302 40.937 1.00 15.28 C ATOM 140 O VAL A 12 40.382 35.868 41.620 1.00 14.55 O ATOM 141 CB VAL A 12 39.584 35.558 38.512 1.00 15.85 C ATOM 142 CG1 VAL A 12 39.649 37.014 38.033 1.00 16.89 C ATOM 143 CG2 VAL A 12 40.981 34.930 38.637 1.00 15.49 C ATOM 144 HA VAL A 12 38.866 34.410 40.203 1.00 0.00 H ATOM 145 HB VAL A 12 39.041 34.998 37.751 1.00 0.00 H ATOM 146 HG11 VAL A 12 38.637 37.391 37.881 1.00 0.00 H ATOM 147 HG12 VAL A 12 40.155 37.620 38.785 1.00 0.00 H ATOM 148 HG13 VAL A 12 40.201 37.062 37.094 1.00 0.00 H ATOM 149 HG21 VAL A 12 41.541 35.445 39.417 1.00 0.00 H ATOM 150 HG22 VAL A 12 40.882 33.876 38.895 1.00 0.00 H ATOM 151 HG23 VAL A 12 41.507 35.025 37.687 1.00 0.00 H ATOM 152 H VAL A 12 37.027 35.950 38.724 1.00 0.00 H ATOM 153 N GLU A 13 38.969 37.526 41.111 1.00 14.32 N ATOM 154 CA GLU A 13 39.557 38.402 42.135 1.00 14.85 C ATOM 155 C GLU A 13 39.474 37.770 43.524 1.00 13.79 C ATOM 156 O GLU A 13 40.340 38.007 44.378 1.00 14.11 O ATOM 157 CB GLU A 13 38.871 39.771 42.157 1.00 15.37 C ATOM 158 CG GLU A 13 39.235 40.656 40.990 1.00 16.37 C ATOM 159 CD GLU A 13 38.420 41.962 40.967 1.00 16.61 C ATOM 160 OE1 GLU A 13 37.199 41.937 41.264 1.00 18.04 O ATOM 161 OE2 GLU A 13 39.005 43.017 40.635 1.00 23.37 O ATOM 162 HA GLU A 13 40.606 38.536 41.871 1.00 0.00 H ATOM 163 HB2 GLU A 13 37.792 39.615 42.146 1.00 0.00 H ATOM 164 HB3 GLU A 13 39.154 40.282 43.077 1.00 0.00 H ATOM 165 HG2 GLU A 13 40.294 40.905 41.056 1.00 0.00 H ATOM 166 HG3 GLU A 13 39.049 40.110 40.065 1.00 0.00 H ATOM 167 H GLU A 13 38.177 37.862 40.527 1.00 0.00 H ATOM 168 N LYS A 14 38.431 36.975 43.742 1.00 13.76 N ATOM 169 CA LYS A 14 38.186 36.389 45.050 1.00 13.51 C ATOM 170 C LYS A 14 39.166 35.266 45.414 1.00 13.00 C ATOM 171 O LYS A 14 39.213 34.834 46.574 1.00 12.67 O ATOM 172 CB LYS A 14 36.732 35.955 45.219 1.00 14.16 C ATOM 173 CG LYS A 14 35.763 37.121 45.372 1.00 17.69 C ATOM 174 CD LYS A 14 34.351 36.668 45.677 1.00 21.40 C ATOM 175 CE LYS A 14 33.493 37.873 46.063 1.00 24.68 C ATOM 176 NZ LYS A 14 32.145 37.482 46.568 1.00 28.69 N ATOM 177 HA LYS A 14 38.375 37.187 45.768 1.00 0.00 H ATOM 178 HB2 LYS A 14 36.440 35.376 44.342 1.00 0.00 H ATOM 179 HB3 LYS A 14 36.660 35.327 46.107 1.00 0.00 H ATOM 180 HG2 LYS A 14 36.109 37.758 46.186 1.00 0.00 H ATOM 181 HG3 LYS A 14 35.754 37.692 44.444 1.00 0.00 H ATOM 182 HD2 LYS A 14 33.926 36.188 44.795 1.00 0.00 H ATOM 183 HD3 LYS A 14 34.369 35.957 46.503 1.00 0.00 H ATOM 184 HE2 LYS A 14 33.367 38.507 45.185 1.00 0.00 H ATOM 185 HE3 LYS A 14 34.009 38.433 46.843 1.00 0.00 H ATOM 186 HZ1 LYS A 14 31.639 36.954 45.829 1.00 0.00 H ATOM 187 HZ2 LYS A 14 32.252 36.883 47.412 1.00 0.00 H ATOM 188 HZ3 LYS A 14 31.607 38.337 46.814 1.00 0.00 H ATOM 189 H LYS A 14 37.777 36.768 42.961 1.00 0.00 H ATOM 190 N ILE A 15 39.958 34.793 44.448 1.00 11.66 N ATOM 191 CA ILE A 15 41.011 33.827 44.810 1.00 11.31 C ATOM 192 C ILE A 15 42.349 34.485 45.123 1.00 10.88 C ATOM 193 O ILE A 15 43.312 33.815 45.447 1.00 11.27 O ATOM 194 CB ILE A 15 41.210 32.674 43.775 1.00 11.13 C ATOM 195 CG1 ILE A 15 41.854 33.184 42.477 1.00 11.63 C ATOM 196 CG2 ILE A 15 39.895 31.960 43.519 1.00 11.13 C ATOM 197 CD1 ILE A 15 42.379 32.073 41.557 1.00 12.74 C ATOM 198 HA ILE A 15 40.632 33.372 45.725 1.00 0.00 H ATOM 199 HB ILE A 15 41.904 31.949 44.199 1.00 0.00 H ATOM 200 HG12 ILE A 15 41.108 33.759 41.928 1.00 0.00 H ATOM 201 HG13 ILE A 15 42.689 33.833 42.741 1.00 0.00 H ATOM 202 HD11 ILE A 15 43.137 31.494 42.085 1.00 0.00 H ATOM 203 HD12 ILE A 15 41.554 31.420 41.271 1.00 0.00 H ATOM 204 HD13 ILE A 15 42.817 32.519 40.664 1.00 0.00 H ATOM 205 HG21 ILE A 15 39.524 31.539 44.453 1.00 0.00 H ATOM 206 HG22 ILE A 15 39.168 32.670 43.125 1.00 0.00 H ATOM 207 HG23 ILE A 15 40.052 31.160 42.796 1.00 0.00 H ATOM 208 H ILE A 15 39.834 35.100 43.462 1.00 0.00 H ATOM 209 N ASN A 16 42.401 35.812 45.061 1.00 11.28 N ATOM 210 CA ASN A 16 43.614 36.514 45.408 1.00 11.82 C ATOM 211 C ASN A 16 44.002 36.240 46.857 1.00 11.50 C ATOM 212 O ASN A 16 43.127 36.036 47.718 1.00 11.62 O ATOM 213 CB ASN A 16 43.413 38.014 45.187 1.00 11.58 C ATOM 214 CG ASN A 16 44.681 38.805 45.353 1.00 11.77 C ATOM 215 OD1 ASN A 16 45.608 38.696 44.547 1.00 13.12 O ATOM 216 ND2 ASN A 16 44.728 39.635 46.392 1.00 12.85 N ATOM 217 HA ASN A 16 44.423 36.159 44.770 1.00 0.00 H ATOM 218 HB2 ASN A 16 43.036 38.169 44.176 1.00 0.00 H ATOM 219 HB3 ASN A 16 42.680 38.377 45.907 1.00 0.00 H ATOM 220 HD22 ASN A 16 43.922 39.694 47.047 1.00 0.00 H ATOM 221 HD21 ASN A 16 45.570 40.224 46.549 1.00 0.00 H ATOM 222 H ASN A 16 41.562 36.348 44.760 1.00 0.00 H ATOM 223 N GLY A 17 45.313 36.209 47.105 1.00 11.13 N ATOM 224 CA GLY A 17 45.870 36.241 48.465 1.00 10.68 C ATOM 225 C GLY A 17 46.476 34.936 48.976 1.00 10.24 C ATOM 226 O GLY A 17 46.949 34.098 48.204 1.00 9.89 O ATOM 227 HA3 GLY A 17 45.068 36.525 49.147 1.00 0.00 H ATOM 228 HA2 GLY A 17 46.650 37.002 48.487 1.00 0.00 H ATOM 229 H GLY A 17 45.970 36.160 46.300 1.00 0.00 H ATOM 230 N GLU A 18 46.446 34.765 50.298 1.00 9.83 N ATOM 231 CA GLU A 18 47.085 33.642 50.987 1.00 9.40 C ATOM 232 C GLU A 18 46.409 32.298 50.669 1.00 9.07 C ATOM 233 O GLU A 18 45.195 32.171 50.765 1.00 9.67 O ATOM 234 CB GLU A 18 46.992 33.898 52.499 1.00 9.94 C ATOM 235 CG GLU A 18 47.582 32.798 53.404 1.00 10.16 C ATOM 236 CD GLU A 18 47.294 33.001 54.905 1.00 10.89 C ATOM 237 OE1 GLU A 18 46.579 33.964 55.297 1.00 11.98 O ATOM 238 OE2 GLU A 18 47.772 32.165 55.708 1.00 10.03 O ATOM 239 HA GLU A 18 48.119 33.576 50.648 1.00 0.00 H ATOM 240 HB2 GLU A 18 47.520 34.827 52.714 1.00 0.00 H ATOM 241 HB3 GLU A 18 45.939 34.012 52.755 1.00 0.00 H ATOM 242 HG2 GLU A 18 47.160 31.840 53.100 1.00 0.00 H ATOM 243 HG3 GLU A 18 48.662 32.779 53.261 1.00 0.00 H ATOM 244 H GLU A 18 45.940 35.469 50.872 1.00 0.00 H ATOM 245 N TRP A 19 47.237 31.312 50.303 1.00 9.77 N ATOM 246 CA TRP A 19 46.818 29.913 50.152 1.00 10.85 C ATOM 247 C TRP A 19 47.948 29.004 50.603 1.00 11.19 C ATOM 248 O TRP A 19 49.109 29.395 50.558 1.00 13.76 O ATOM 249 CB TRP A 19 46.494 29.573 48.698 1.00 10.58 C ATOM 250 CG TRP A 19 45.259 30.242 48.177 1.00 10.14 C ATOM 251 CD1 TRP A 19 45.192 31.332 47.351 1.00 10.60 C ATOM 252 CD2 TRP A 19 43.914 29.839 48.425 1.00 10.62 C ATOM 253 NE1 TRP A 19 43.874 31.653 47.086 1.00 10.49 N ATOM 254 CE2 TRP A 19 43.072 30.742 47.736 1.00 8.50 C ATOM 255 CE3 TRP A 19 43.331 28.825 49.198 1.00 8.54 C ATOM 256 CZ2 TRP A 19 41.678 30.640 47.771 1.00 9.44 C ATOM 257 CZ3 TRP A 19 41.949 28.735 49.245 1.00 9.09 C ATOM 258 CH2 TRP A 19 41.132 29.648 48.534 1.00 8.99 C ATOM 259 HA TRP A 19 45.923 29.769 50.756 1.00 0.00 H ATOM 260 HB2 TRP A 19 47.337 29.878 48.078 1.00 0.00 H ATOM 261 HB3 TRP A 19 46.359 28.494 48.620 1.00 0.00 H ATOM 262 HE1 TRP A 19 43.545 32.445 46.498 1.00 0.00 H ATOM 263 HD1 TRP A 19 46.055 31.870 46.958 1.00 0.00 H ATOM 264 HZ2 TRP A 19 41.048 31.329 47.208 1.00 0.00 H ATOM 265 HH2 TRP A 19 40.048 29.557 48.597 1.00 0.00 H ATOM 266 HZ3 TRP A 19 41.483 27.949 49.839 1.00 0.00 H ATOM 267 HE3 TRP A 19 43.953 28.121 49.751 1.00 0.00 H ATOM 268 H TRP A 19 48.232 31.550 50.115 1.00 0.00 H ATOM 269 N HIS A 20 47.602 27.785 51.020 1.00 10.02 N ATOM 270 CA HIS A 20 48.589 26.802 51.468 1.00 11.04 C ATOM 271 C HIS A 20 48.284 25.495 50.769 1.00 9.90 C ATOM 272 O HIS A 20 47.110 25.157 50.569 1.00 9.46 O ATOM 273 CB HIS A 20 48.493 26.566 52.974 1.00 11.11 C ATOM 274 CG HIS A 20 48.729 27.794 53.791 1.00 12.42 C ATOM 275 ND1 HIS A 20 49.944 28.077 54.376 1.00 14.43 N ATOM 276 CD2 HIS A 20 47.895 28.805 54.131 1.00 13.65 C ATOM 277 CE1 HIS A 20 49.851 29.224 55.033 1.00 14.87 C ATOM 278 NE2 HIS A 20 48.621 29.691 54.892 1.00 13.57 N ATOM 279 HA HIS A 20 49.588 27.171 51.236 1.00 0.00 H ATOM 280 HB2 HIS A 20 47.496 26.188 53.200 1.00 0.00 H ATOM 281 HB3 HIS A 20 49.236 25.819 53.253 1.00 0.00 H ATOM 282 HD2 HIS A 20 46.845 28.899 53.854 1.00 0.00 H ATOM 283 HE1 HIS A 20 50.653 29.702 55.595 1.00 0.00 H ATOM 284 H HIS A 20 46.595 27.524 51.027 1.00 0.00 H ATOM 285 N THR A 21 49.335 24.751 50.404 1.00 9.48 N ATOM 286 CA THR A 21 49.124 23.399 49.876 1.00 10.13 C ATOM 287 C THR A 21 48.708 22.492 51.012 1.00 9.83 C ATOM 288 O THR A 21 49.429 22.382 52.013 1.00 10.36 O ATOM 289 CB THR A 21 50.393 22.845 49.255 1.00 10.55 C ATOM 290 OG1 THR A 21 50.732 23.646 48.113 1.00 9.70 O ATOM 291 CG2 THR A 21 50.201 21.354 48.842 1.00 10.53 C ATOM 292 HA THR A 21 48.352 23.446 49.108 1.00 0.00 H ATOM 293 HB THR A 21 51.203 22.882 49.984 1.00 0.00 H ATOM 294 HG1 THR A 21 51.559 23.294 47.698 1.00 0.00 H ATOM 295 HG23 THR A 21 49.945 20.765 49.722 1.00 0.00 H ATOM 296 HG21 THR A 21 49.398 21.282 48.108 1.00 0.00 H ATOM 297 HG22 THR A 21 51.127 20.977 48.407 1.00 0.00 H ATOM 298 H THR A 21 50.299 25.131 50.495 1.00 0.00 H ATOM 299 N ILE A 22 47.551 21.850 50.860 1.00 9.77 N ATOM 300 CA ILE A 22 47.058 20.922 51.877 1.00 9.81 C ATOM 301 C ILE A 22 47.199 19.474 51.412 1.00 9.62 C ATOM 302 O ILE A 22 47.701 18.626 52.142 1.00 10.80 O ATOM 303 CB ILE A 22 45.565 21.176 52.241 1.00 10.04 C ATOM 304 CG1 ILE A 22 45.307 22.651 52.549 1.00 10.39 C ATOM 305 CG2 ILE A 22 45.126 20.316 53.448 1.00 11.11 C ATOM 306 CD1 ILE A 22 46.239 23.231 53.612 1.00 12.28 C ATOM 307 HA ILE A 22 47.669 21.096 52.762 1.00 0.00 H ATOM 308 HB ILE A 22 44.976 20.890 51.369 1.00 0.00 H ATOM 309 HG12 ILE A 22 45.436 23.222 51.630 1.00 0.00 H ATOM 310 HG13 ILE A 22 44.280 22.755 52.898 1.00 0.00 H ATOM 311 HD11 ILE A 22 46.114 22.679 54.543 1.00 0.00 H ATOM 312 HD12 ILE A 22 47.272 23.146 53.273 1.00 0.00 H ATOM 313 HD13 ILE A 22 45.994 24.280 53.775 1.00 0.00 H ATOM 314 HG21 ILE A 22 45.249 19.261 53.205 1.00 0.00 H ATOM 315 HG22 ILE A 22 45.741 20.565 54.313 1.00 0.00 H ATOM 316 HG23 ILE A 22 44.079 20.518 53.675 1.00 0.00 H ATOM 317 H ILE A 22 46.987 22.012 50.001 1.00 0.00 H ATOM 318 N ILE A 23 46.713 19.208 50.206 1.00 9.11 N ATOM 319 CA ILE A 23 46.820 17.859 49.632 1.00 9.94 C ATOM 320 C ILE A 23 47.202 17.968 48.166 1.00 9.07 C ATOM 321 O ILE A 23 46.718 18.853 47.464 1.00 8.77 O ATOM 322 CB ILE A 23 45.483 17.072 49.724 1.00 10.36 C ATOM 323 CG1 ILE A 23 44.921 17.063 51.157 1.00 10.84 C ATOM 324 CG2 ILE A 23 45.657 15.637 49.179 1.00 11.55 C ATOM 325 CD1 ILE A 23 43.585 16.344 51.288 1.00 12.20 C ATOM 326 HA ILE A 23 47.577 17.323 50.204 1.00 0.00 H ATOM 327 HB ILE A 23 44.752 17.587 49.100 1.00 0.00 H ATOM 328 HG12 ILE A 23 45.643 16.568 51.807 1.00 0.00 H ATOM 329 HG13 ILE A 23 44.790 18.095 51.482 1.00 0.00 H ATOM 330 HD11 ILE A 23 42.847 16.833 50.653 1.00 0.00 H ATOM 331 HD12 ILE A 23 43.701 15.305 50.978 1.00 0.00 H ATOM 332 HD13 ILE A 23 43.255 16.380 52.326 1.00 0.00 H ATOM 333 HG21 ILE A 23 45.970 15.681 48.136 1.00 0.00 H ATOM 334 HG22 ILE A 23 46.414 15.117 49.765 1.00 0.00 H ATOM 335 HG23 ILE A 23 44.709 15.104 49.253 1.00 0.00 H ATOM 336 H ILE A 23 46.251 19.963 49.660 1.00 0.00 H ATOM 337 N LEU A 24 48.040 17.046 47.693 1.00 9.14 N ATOM 338 CA LEU A 24 48.293 16.923 46.254 1.00 9.60 C ATOM 339 C LEU A 24 47.956 15.514 45.828 1.00 9.40 C ATOM 340 O LEU A 24 48.095 14.574 46.607 1.00 9.92 O ATOM 341 CB LEU A 24 49.755 17.214 45.896 1.00 10.02 C ATOM 342 CG LEU A 24 50.207 18.648 46.186 1.00 10.45 C ATOM 343 CD1 LEU A 24 51.697 18.817 45.939 1.00 11.02 C ATOM 344 CD2 LEU A 24 49.423 19.689 45.384 1.00 10.28 C ATOM 345 HA LEU A 24 47.673 17.655 45.737 1.00 0.00 H ATOM 346 HB2 LEU A 24 50.387 16.535 46.468 1.00 0.00 H ATOM 347 HB3 LEU A 24 49.889 17.023 44.831 1.00 0.00 H ATOM 348 HG LEU A 24 49.999 18.823 47.242 1.00 0.00 H ATOM 349 HD21 LEU A 24 49.561 19.504 44.319 1.00 0.00 H ATOM 350 HD22 LEU A 24 48.364 19.616 45.633 1.00 0.00 H ATOM 351 HD23 LEU A 24 49.787 20.686 45.631 1.00 0.00 H ATOM 352 HD11 LEU A 24 52.251 18.140 46.589 1.00 0.00 H ATOM 353 HD12 LEU A 24 51.920 18.586 44.897 1.00 0.00 H ATOM 354 HD13 LEU A 24 51.985 19.846 46.154 1.00 0.00 H ATOM 355 H LEU A 24 48.522 16.404 48.354 1.00 0.00 H ATOM 356 N ALA A 25 47.571 15.377 44.567 1.00 8.73 N ATOM 357 CA ALA A 25 47.263 14.065 44.011 1.00 9.10 C ATOM 358 C ALA A 25 47.738 13.985 42.579 1.00 9.57 C ATOM 359 O ALA A 25 47.734 14.983 41.873 1.00 9.37 O ATOM 360 CB ALA A 25 45.779 13.818 44.073 1.00 9.44 C ATOM 361 HA ALA A 25 47.776 13.303 44.597 1.00 0.00 H ATOM 362 HB1 ALA A 25 45.449 13.856 45.111 1.00 0.00 H ATOM 363 HB2 ALA A 25 45.260 14.584 43.497 1.00 0.00 H ATOM 364 HB3 ALA A 25 45.558 12.836 43.656 1.00 0.00 H ATOM 365 H ALA A 25 47.487 16.220 43.964 1.00 0.00 H ATOM 366 N SER A 26 48.125 12.793 42.143 1.00 10.05 N ATOM 367 CA SER A 26 48.604 12.639 40.771 1.00 11.57 C ATOM 368 C SER A 26 48.401 11.246 40.266 1.00 12.65 C ATOM 369 O SER A 26 48.561 10.287 41.024 1.00 13.20 O ATOM 370 CB SER A 26 50.093 12.949 40.687 1.00 12.55 C ATOM 371 OG SER A 26 50.508 12.940 39.320 1.00 15.62 O ATOM 372 HA SER A 26 48.029 13.335 40.160 1.00 0.00 H ATOM 373 HB2 SER A 26 50.653 12.196 41.241 1.00 0.00 H ATOM 374 HB3 SER A 26 50.284 13.932 41.118 1.00 0.00 H ATOM 375 HG SER A 26 50.000 13.625 38.818 1.00 0.00 H ATOM 376 H SER A 26 48.087 11.969 42.777 1.00 0.00 H ATOM 377 N ASP A 27 48.109 11.126 38.972 1.00 13.02 N ATOM 378 CA ASP A 27 48.082 9.787 38.384 1.00 14.17 C ATOM 379 C ASP A 27 49.486 9.271 38.055 1.00 14.90 C ATOM 380 O ASP A 27 49.639 8.116 37.654 1.00 16.63 O ATOM 381 CB ASP A 27 47.058 9.631 37.238 1.00 14.26 C ATOM 382 CG ASP A 27 47.281 10.599 36.094 1.00 15.38 C ATOM 383 OD1 ASP A 27 48.314 11.294 36.089 1.00 14.66 O ATOM 384 OD2 ASP A 27 46.405 10.636 35.185 1.00 16.71 O ATOM 385 HA ASP A 27 47.702 9.120 39.158 1.00 0.00 H ATOM 386 HB2 ASP A 27 47.127 8.615 36.849 1.00 0.00 H ATOM 387 HB3 ASP A 27 46.059 9.798 37.642 1.00 0.00 H ATOM 388 H ASP A 27 47.905 11.965 38.393 1.00 0.00 H ATOM 389 N LYS A 28 50.496 10.126 38.248 1.00 14.50 N ATOM 390 CA LYS A 28 51.908 9.703 38.286 1.00 15.31 C ATOM 391 C LYS A 28 52.484 10.095 39.651 1.00 14.64 C ATOM 392 O LYS A 28 52.971 11.212 39.830 1.00 13.79 O ATOM 393 CB LYS A 28 52.711 10.328 37.136 1.00 15.82 C ATOM 394 CG LYS A 28 52.457 9.637 35.804 1.00 18.08 C ATOM 395 CD LYS A 28 53.421 10.090 34.706 1.00 17.70 C ATOM 396 CE LYS A 28 53.004 9.480 33.364 1.00 21.55 C ATOM 397 NZ LYS A 28 53.791 9.991 32.205 1.00 23.39 N ATOM 398 HA LYS A 28 51.975 8.623 38.154 1.00 0.00 H ATOM 399 HB2 LYS A 28 52.432 11.378 37.044 1.00 0.00 H ATOM 400 HB3 LYS A 28 53.773 10.255 37.371 1.00 0.00 H ATOM 401 HG2 LYS A 28 52.568 8.562 35.943 1.00 0.00 H ATOM 402 HG3 LYS A 28 51.438 9.858 35.486 1.00 0.00 H ATOM 403 HD2 LYS A 28 53.400 11.177 34.632 1.00 0.00 H ATOM 404 HD3 LYS A 28 54.431 9.764 34.954 1.00 0.00 H ATOM 405 HE2 LYS A 28 51.952 9.708 33.194 1.00 0.00 H ATOM 406 HE3 LYS A 28 53.136 8.399 33.421 1.00 0.00 H ATOM 407 HZ1 LYS A 28 53.667 11.021 32.130 1.00 0.00 H ATOM 408 HZ2 LYS A 28 54.798 9.771 32.347 1.00 0.00 H ATOM 409 HZ3 LYS A 28 53.455 9.536 31.332 1.00 0.00 H ATOM 410 H LYS A 28 50.276 11.134 38.377 1.00 0.00 H ATOM 411 N ARG A 29 52.412 9.165 40.607 1.00 13.79 N ATOM 412 CA ARG A 29 52.661 9.509 42.015 1.00 14.47 C ATOM 413 C ARG A 29 54.048 10.091 42.268 1.00 14.14 C ATOM 414 O ARG A 29 54.214 10.929 43.144 1.00 14.27 O ATOM 415 CB ARG A 29 52.418 8.307 42.928 1.00 14.71 C ATOM 416 CG ARG A 29 52.009 8.676 44.348 1.00 16.48 C ATOM 417 CD ARG A 29 51.879 7.409 45.169 1.00 16.88 C ATOM 418 NE ARG A 29 51.249 7.634 46.466 1.00 18.20 N ATOM 419 CZ ARG A 29 51.904 7.932 47.586 1.00 19.69 C ATOM 420 NH1 ARG A 29 53.228 8.062 47.590 1.00 20.21 N ATOM 421 NH2 ARG A 29 51.228 8.108 48.712 1.00 19.40 N ATOM 422 HA ARG A 29 51.945 10.295 42.254 1.00 0.00 H ATOM 423 HB2 ARG A 29 51.626 7.699 42.491 1.00 0.00 H ATOM 424 HB3 ARG A 29 53.337 7.723 42.977 1.00 0.00 H ATOM 425 HG2 ARG A 29 52.767 9.322 44.791 1.00 0.00 H ATOM 426 HG3 ARG A 29 51.053 9.199 44.329 1.00 0.00 H ATOM 427 HD2 ARG A 29 52.875 6.997 45.333 1.00 0.00 H ATOM 428 HD3 ARG A 29 51.278 6.692 44.610 1.00 0.00 H ATOM 429 HE ARG A 29 50.213 7.556 46.519 1.00 0.00 H ATOM 430 HH12 ARG A 29 53.725 8.295 48.473 1.00 0.00 H ATOM 431 HH11 ARG A 29 53.766 7.931 46.710 1.00 0.00 H ATOM 432 HH22 ARG A 29 51.733 8.341 49.591 1.00 0.00 H ATOM 433 HH21 ARG A 29 50.192 8.013 48.717 1.00 0.00 H ATOM 434 H ARG A 29 52.177 8.185 40.352 1.00 0.00 H ATOM 435 N GLU A 30 55.037 9.659 41.492 1.00 14.10 N ATOM 436 CA GLU A 30 56.426 10.110 41.679 1.00 14.70 C ATOM 437 C GLU A 30 56.573 11.629 41.617 1.00 14.01 C ATOM 438 O GLU A 30 57.469 12.199 42.245 1.00 14.37 O ATOM 439 CB GLU A 30 57.345 9.455 40.638 1.00 16.27 C ATOM 440 CG GLU A 30 57.015 9.828 39.198 1.00 20.73 C ATOM 441 CD GLU A 30 57.409 8.754 38.193 1.00 27.17 C ATOM 442 OE1 GLU A 30 58.535 8.218 38.298 1.00 29.45 O ATOM 443 OE2 GLU A 30 56.590 8.443 37.296 1.00 29.98 O ATOM 444 HA GLU A 30 56.721 9.800 42.682 1.00 0.00 H ATOM 445 HB2 GLU A 30 58.371 9.761 40.845 1.00 0.00 H ATOM 446 HB3 GLU A 30 57.262 8.373 40.740 1.00 0.00 H ATOM 447 HG2 GLU A 30 55.941 9.997 39.121 1.00 0.00 H ATOM 448 HG3 GLU A 30 57.545 10.747 38.948 1.00 0.00 H ATOM 449 H GLU A 30 54.824 8.983 40.731 1.00 0.00 H ATOM 450 N LYS A 31 55.673 12.278 40.870 1.00 13.37 N ATOM 451 CA LYS A 31 55.771 13.723 40.636 1.00 13.24 C ATOM 452 C LYS A 31 55.522 14.553 41.892 1.00 12.67 C ATOM 453 O LYS A 31 55.922 15.717 41.957 1.00 12.90 O ATOM 454 CB LYS A 31 54.777 14.151 39.554 1.00 12.82 C ATOM 455 CG LYS A 31 54.996 13.486 38.185 1.00 14.46 C ATOM 456 CD LYS A 31 56.306 13.997 37.552 1.00 19.11 C ATOM 457 CE LYS A 31 56.415 13.745 36.046 1.00 22.75 C ATOM 458 NZ LYS A 31 55.469 12.737 35.545 1.00 24.66 N ATOM 459 HA LYS A 31 56.796 13.911 40.315 1.00 0.00 H ATOM 460 HB2 LYS A 31 53.773 13.902 39.897 1.00 0.00 H ATOM 461 HB3 LYS A 31 54.858 15.230 39.425 1.00 0.00 H ATOM 462 HG2 LYS A 31 55.055 12.405 38.314 1.00 0.00 H ATOM 463 HG3 LYS A 31 54.160 13.727 37.529 1.00 0.00 H ATOM 464 HD2 LYS A 31 56.373 15.071 37.725 1.00 0.00 H ATOM 465 HD3 LYS A 31 57.141 13.498 38.044 1.00 0.00 H ATOM 466 HE2 LYS A 31 57.427 13.406 35.826 1.00 0.00 H ATOM 467 HE3 LYS A 31 56.226 14.684 35.525 1.00 0.00 H ATOM 468 HZ1 LYS A 31 55.644 11.831 36.024 1.00 0.00 H ATOM 469 HZ2 LYS A 31 54.496 13.050 35.737 1.00 0.00 H ATOM 470 HZ3 LYS A 31 55.600 12.619 34.520 1.00 0.00 H ATOM 471 H LYS A 31 54.886 11.746 40.446 1.00 0.00 H ATOM 472 N ILE A 32 54.839 13.946 42.865 1.00 12.74 N ATOM 473 CA ILE A 32 54.511 14.636 44.114 1.00 13.12 C ATOM 474 C ILE A 32 55.109 13.966 45.348 1.00 13.98 C ATOM 475 O ILE A 32 54.865 14.399 46.478 1.00 14.84 O ATOM 476 CB ILE A 32 52.987 14.769 44.298 1.00 12.81 C ATOM 477 CG1 ILE A 32 52.306 13.406 44.202 1.00 13.21 C ATOM 478 CG2 ILE A 32 52.425 15.708 43.241 1.00 13.06 C ATOM 479 CD1 ILE A 32 50.884 13.431 44.683 1.00 12.39 C ATOM 480 HA ILE A 32 54.959 15.625 44.024 1.00 0.00 H ATOM 481 HB ILE A 32 52.791 15.178 45.289 1.00 0.00 H ATOM 482 HG12 ILE A 32 52.316 13.084 43.161 1.00 0.00 H ATOM 483 HG13 ILE A 32 52.866 12.693 44.807 1.00 0.00 H ATOM 484 HD11 ILE A 32 50.860 13.743 45.727 1.00 0.00 H ATOM 485 HD12 ILE A 32 50.310 14.134 44.079 1.00 0.00 H ATOM 486 HD13 ILE A 32 50.453 12.434 44.590 1.00 0.00 H ATOM 487 HG21 ILE A 32 52.890 16.689 43.344 1.00 0.00 H ATOM 488 HG22 ILE A 32 52.637 15.306 42.250 1.00 0.00 H ATOM 489 HG23 ILE A 32 51.347 15.800 43.374 1.00 0.00 H ATOM 490 H ILE A 32 54.533 12.961 42.733 1.00 0.00 H ATOM 491 N GLU A 33 55.892 12.915 45.132 1.00 15.36 N ATOM 492 CA GLU A 33 56.639 12.284 46.223 1.00 17.45 C ATOM 493 C GLU A 33 57.836 13.151 46.633 1.00 18.59 C ATOM 494 O GLU A 33 58.071 14.210 46.041 1.00 18.09 O ATOM 495 CB GLU A 33 57.040 10.855 45.834 1.00 17.57 C ATOM 496 CG GLU A 33 55.864 9.885 45.904 1.00 18.56 C ATOM 497 CD GLU A 33 56.132 8.533 45.257 1.00 18.91 C ATOM 498 OE1 GLU A 33 57.194 8.351 44.616 1.00 21.00 O ATOM 499 OE2 GLU A 33 55.263 7.644 45.386 1.00 21.16 O ATOM 500 HA GLU A 33 55.999 12.206 47.102 1.00 0.00 H ATOM 501 HB2 GLU A 33 57.427 10.864 44.815 1.00 0.00 H ATOM 502 HB3 GLU A 33 57.819 10.512 46.514 1.00 0.00 H ATOM 503 HG2 GLU A 33 55.618 9.720 46.953 1.00 0.00 H ATOM 504 HG3 GLU A 33 55.012 10.343 45.401 1.00 0.00 H ATOM 505 H GLU A 33 55.977 12.532 44.169 1.00 0.00 H ATOM 506 N ASP A 34 58.580 12.702 47.650 1.00 20.59 N ATOM 507 CA ASP A 34 59.629 13.515 48.285 1.00 22.92 C ATOM 508 C ASP A 34 60.571 14.254 47.335 1.00 23.49 C ATOM 509 O ASP A 34 60.934 15.409 47.591 1.00 24.67 O ATOM 510 CB ASP A 34 60.435 12.686 49.300 1.00 23.78 C ATOM 511 CG ASP A 34 59.826 12.722 50.699 1.00 26.39 C ATOM 512 OD1 ASP A 34 58.619 12.431 50.841 1.00 30.08 O ATOM 513 OD2 ASP A 34 60.559 13.037 51.666 1.00 31.02 O ATOM 514 HA ASP A 34 59.075 14.303 48.795 1.00 0.00 H ATOM 515 HB2 ASP A 34 60.468 11.651 48.959 1.00 0.00 H ATOM 516 HB3 ASP A 34 61.449 13.083 49.349 1.00 0.00 H ATOM 517 H ASP A 34 58.410 11.740 48.006 1.00 0.00 H ATOM 518 N ASN A 35 60.958 13.612 46.241 1.00 23.67 N ATOM 519 CA ASN A 35 61.875 14.256 45.306 1.00 24.12 C ATOM 520 C ASN A 35 61.188 14.739 44.022 1.00 23.17 C ATOM 521 O ASN A 35 61.852 15.053 43.031 1.00 23.88 O ATOM 522 CB ASN A 35 63.052 13.323 45.000 1.00 25.03 C ATOM 523 CG ASN A 35 63.763 12.838 46.265 1.00 27.06 C ATOM 524 OD1 ASN A 35 63.881 11.631 46.498 1.00 31.18 O ATOM 525 ND2 ASN A 35 64.226 13.778 47.089 1.00 29.28 N ATOM 526 HA ASN A 35 62.252 15.156 45.791 1.00 0.00 H ATOM 527 HB2 ASN A 35 62.678 12.456 44.455 1.00 0.00 H ATOM 528 HB3 ASN A 35 63.770 13.859 44.379 1.00 0.00 H ATOM 529 HD22 ASN A 35 64.104 14.783 46.852 1.00 0.00 H ATOM 530 HD21 ASN A 35 64.709 13.506 47.969 1.00 0.00 H ATOM 531 H ASN A 35 60.609 12.651 46.050 1.00 0.00 H ATOM 532 N GLY A 36 59.857 14.824 44.057 1.00 21.93 N ATOM 533 CA GLY A 36 59.091 15.188 42.872 1.00 20.01 C ATOM 534 C GLY A 36 59.068 16.681 42.613 1.00 18.61 C ATOM 535 O GLY A 36 58.985 17.489 43.549 1.00 18.23 O ATOM 536 HA3 GLY A 36 58.065 14.843 43.002 1.00 0.00 H ATOM 537 HA2 GLY A 36 59.533 14.693 42.007 1.00 0.00 H ATOM 538 H GLY A 36 59.357 14.627 44.947 1.00 0.00 H ATOM 539 N ASN A 37 59.117 17.056 41.338 1.00 17.52 N ATOM 540 CA ASN A 37 59.153 18.467 40.958 1.00 16.28 C ATOM 541 C ASN A 37 57.861 19.210 41.263 1.00 15.21 C ATOM 542 O ASN A 37 57.839 20.437 41.261 1.00 14.72 O ATOM 543 CB ASN A 37 59.490 18.622 39.471 1.00 17.00 C ATOM 544 CG ASN A 37 60.956 18.344 39.162 1.00 19.51 C ATOM 545 OD1 ASN A 37 61.288 17.866 38.074 1.00 22.18 O ATOM 546 ND2 ASN A 37 61.837 18.656 40.110 1.00 20.87 N ATOM 547 HA ASN A 37 59.936 18.917 41.568 1.00 0.00 H ATOM 548 HB2 ASN A 37 58.876 17.925 38.901 1.00 0.00 H ATOM 549 HB3 ASN A 37 59.258 19.642 39.166 1.00 0.00 H ATOM 550 HD22 ASN A 37 61.510 19.057 41.012 1.00 0.00 H ATOM 551 HD21 ASN A 37 62.852 18.499 39.948 1.00 0.00 H ATOM 552 H ASN A 37 59.130 16.329 40.595 1.00 0.00 H ATOM 553 N PHE A 38 56.790 18.464 41.501 1.00 13.76 N ATOM 554 CA PHE A 38 55.490 19.094 41.760 1.00 12.71 C ATOM 555 C PHE A 38 55.059 19.053 43.216 1.00 12.65 C ATOM 556 O PHE A 38 53.928 19.430 43.535 1.00 12.65 O ATOM 557 CB PHE A 38 54.408 18.522 40.835 1.00 12.45 C ATOM 558 CG PHE A 38 54.608 18.909 39.399 1.00 12.15 C ATOM 559 CD1 PHE A 38 55.536 18.222 38.621 1.00 12.71 C ATOM 560 CD2 PHE A 38 53.917 19.983 38.844 1.00 13.88 C ATOM 561 CE1 PHE A 38 55.767 18.586 37.301 1.00 13.06 C ATOM 562 CE2 PHE A 38 54.139 20.353 37.506 1.00 13.13 C ATOM 563 CZ PHE A 38 55.065 19.643 36.739 1.00 13.04 C ATOM 564 HA PHE A 38 55.622 20.152 41.532 1.00 0.00 H ATOM 565 HB2 PHE A 38 54.425 17.435 40.909 1.00 0.00 H ATOM 566 HB3 PHE A 38 53.437 18.892 41.164 1.00 0.00 H ATOM 567 HD2 PHE A 38 53.201 20.539 39.449 1.00 0.00 H ATOM 568 HE2 PHE A 38 53.592 21.189 37.070 1.00 0.00 H ATOM 569 HZ PHE A 38 55.236 19.919 35.699 1.00 0.00 H ATOM 570 HE1 PHE A 38 56.500 18.041 36.706 1.00 0.00 H ATOM 571 HD1 PHE A 38 56.088 17.388 39.054 1.00 0.00 H ATOM 572 H PHE A 38 56.872 17.427 41.504 1.00 0.00 H ATOM 573 N ARG A 39 55.965 18.638 44.100 1.00 12.35 N ATOM 574 CA ARG A 39 55.688 18.689 45.527 1.00 12.76 C ATOM 575 C ARG A 39 55.988 20.124 45.955 1.00 13.13 C ATOM 576 O ARG A 39 57.057 20.413 46.503 1.00 13.76 O ATOM 577 CB ARG A 39 56.581 17.718 46.278 1.00 12.68 C ATOM 578 CG ARG A 39 56.223 17.566 47.740 1.00 15.74 C ATOM 579 CD ARG A 39 57.159 16.532 48.333 1.00 17.84 C ATOM 580 NE ARG A 39 56.887 16.200 49.727 1.00 21.45 N ATOM 581 CZ ARG A 39 56.204 15.130 50.142 1.00 22.01 C ATOM 582 NH1 ARG A 39 55.654 14.274 49.281 1.00 21.65 N ATOM 583 NH2 ARG A 39 56.047 14.925 51.443 1.00 24.33 N ATOM 584 HA ARG A 39 54.657 18.409 45.745 1.00 0.00 H ATOM 585 HB2 ARG A 39 56.504 16.741 45.801 1.00 0.00 H ATOM 586 HB3 ARG A 39 57.609 18.074 46.211 1.00 0.00 H ATOM 587 HG2 ARG A 39 56.346 18.519 48.255 1.00 0.00 H ATOM 588 HG3 ARG A 39 55.190 17.233 47.838 1.00 0.00 H ATOM 589 HD2 ARG A 39 58.177 16.916 48.266 1.00 0.00 H ATOM 590 HD3 ARG A 39 57.077 15.619 47.743 1.00 0.00 H ATOM 591 HE ARG A 39 57.253 16.847 50.454 1.00 0.00 H ATOM 592 HH12 ARG A 39 55.127 13.449 49.633 1.00 0.00 H ATOM 593 HH11 ARG A 39 55.751 14.431 48.258 1.00 0.00 H ATOM 594 HH22 ARG A 39 55.517 14.095 51.778 1.00 0.00 H ATOM 595 HH21 ARG A 39 56.454 15.594 52.128 1.00 0.00 H ATOM 596 H ARG A 39 56.880 18.274 43.766 1.00 0.00 H ATOM 597 N LEU A 40 55.054 21.020 45.657 1.00 12.77 N ATOM 598 CA LEU A 40 55.261 22.441 45.870 1.00 12.68 C ATOM 599 C LEU A 40 54.273 22.976 46.898 1.00 12.48 C ATOM 600 O LEU A 40 53.111 22.538 46.950 1.00 12.44 O ATOM 601 CB LEU A 40 55.135 23.204 44.553 1.00 12.63 C ATOM 602 CG LEU A 40 56.137 22.866 43.449 1.00 13.90 C ATOM 603 CD1 LEU A 40 55.852 23.737 42.247 1.00 14.50 C ATOM 604 CD2 LEU A 40 57.560 23.091 43.921 1.00 15.94 C ATOM 605 HA LEU A 40 56.270 22.589 46.256 1.00 0.00 H ATOM 606 HB2 LEU A 40 54.137 23.015 44.159 1.00 0.00 H ATOM 607 HB3 LEU A 40 55.240 24.265 44.778 1.00 0.00 H ATOM 608 HG LEU A 40 56.032 21.814 43.184 1.00 0.00 H ATOM 609 HD21 LEU A 40 57.687 24.136 44.202 1.00 0.00 H ATOM 610 HD22 LEU A 40 57.760 22.455 44.783 1.00 0.00 H ATOM 611 HD23 LEU A 40 58.252 22.843 43.116 1.00 0.00 H ATOM 612 HD11 LEU A 40 54.838 23.548 41.896 1.00 0.00 H ATOM 613 HD12 LEU A 40 55.952 24.785 42.528 1.00 0.00 H ATOM 614 HD13 LEU A 40 56.562 23.503 41.454 1.00 0.00 H ATOM 615 H LEU A 40 54.149 20.695 45.260 1.00 0.00 H ATOM 616 N PHE A 41 54.761 23.898 47.727 1.00 12.09 N ATOM 617 CA PHE A 41 53.971 24.462 48.814 1.00 12.48 C ATOM 618 C PHE A 41 53.580 25.888 48.495 1.00 12.23 C ATOM 619 O PHE A 41 54.395 26.783 48.572 1.00 12.18 O ATOM 620 CB PHE A 41 54.741 24.357 50.126 1.00 12.87 C ATOM 621 CG PHE A 41 55.004 22.935 50.538 1.00 13.25 C ATOM 622 CD1 PHE A 41 56.170 22.286 50.146 1.00 15.31 C ATOM 623 CD2 PHE A 41 54.067 22.235 51.278 1.00 14.06 C ATOM 624 CE1 PHE A 41 56.389 20.946 50.505 1.00 16.57 C ATOM 625 CE2 PHE A 41 54.283 20.907 51.651 1.00 16.26 C ATOM 626 CZ PHE A 41 55.438 20.267 51.259 1.00 15.47 C ATOM 627 HA PHE A 41 53.048 23.892 48.927 1.00 0.00 H ATOM 628 HB2 PHE A 41 55.697 24.868 50.011 1.00 0.00 H ATOM 629 HB3 PHE A 41 54.162 24.845 50.910 1.00 0.00 H ATOM 630 HD2 PHE A 41 53.143 22.730 51.575 1.00 0.00 H ATOM 631 HE2 PHE A 41 53.541 20.379 52.250 1.00 0.00 H ATOM 632 HZ PHE A 41 55.607 19.227 51.540 1.00 0.00 H ATOM 633 HE1 PHE A 41 57.302 20.439 50.193 1.00 0.00 H ATOM 634 HD1 PHE A 41 56.917 22.819 49.558 1.00 0.00 H ATOM 635 H PHE A 41 55.739 24.226 47.594 1.00 0.00 H ATOM 636 N LEU A 42 52.329 26.076 48.096 1.00 11.80 N ATOM 637 CA LEU A 42 51.827 27.381 47.700 1.00 11.85 C ATOM 638 C LEU A 42 51.837 28.331 48.895 1.00 12.27 C ATOM 639 O LEU A 42 51.632 27.912 50.051 1.00 12.80 O ATOM 640 CB LEU A 42 50.407 27.243 47.141 1.00 11.92 C ATOM 641 CG LEU A 42 49.762 28.449 46.453 1.00 11.31 C ATOM 642 CD1 LEU A 42 50.517 28.870 45.203 1.00 11.40 C ATOM 643 CD2 LEU A 42 48.332 28.098 46.084 1.00 11.27 C ATOM 644 HA LEU A 42 52.473 27.792 46.924 1.00 0.00 H ATOM 645 HB2 LEU A 42 50.427 26.432 46.413 1.00 0.00 H ATOM 646 HB3 LEU A 42 49.761 26.966 47.974 1.00 0.00 H ATOM 647 HG LEU A 42 49.789 29.287 47.149 1.00 0.00 H ATOM 648 HD21 LEU A 42 48.332 27.243 45.407 1.00 0.00 H ATOM 649 HD22 LEU A 42 47.776 27.848 46.987 1.00 0.00 H ATOM 650 HD23 LEU A 42 47.865 28.952 45.593 1.00 0.00 H ATOM 651 HD11 LEU A 42 51.539 29.139 45.471 1.00 0.00 H ATOM 652 HD12 LEU A 42 50.532 28.043 44.493 1.00 0.00 H ATOM 653 HD13 LEU A 42 50.020 29.729 44.752 1.00 0.00 H ATOM 654 H LEU A 42 51.684 25.260 48.065 1.00 0.00 H ATOM 655 N GLU A 43 52.055 29.612 48.603 1.00 12.63 N ATOM 656 CA GLU A 43 52.012 30.639 49.626 1.00 13.75 C ATOM 657 C GLU A 43 50.974 31.685 49.303 1.00 13.36 C ATOM 658 O GLU A 43 50.307 32.201 50.192 1.00 12.99 O ATOM 659 CB GLU A 43 53.362 31.322 49.745 1.00 14.90 C ATOM 660 CG GLU A 43 54.449 30.443 50.274 1.00 19.84 C ATOM 661 CD GLU A 43 55.654 31.252 50.654 1.00 26.52 C ATOM 662 OE1 GLU A 43 56.200 31.955 49.769 1.00 28.28 O ATOM 663 OE2 GLU A 43 56.027 31.208 51.846 1.00 29.53 O ATOM 664 HA GLU A 43 51.754 30.152 50.566 1.00 0.00 H ATOM 665 HB2 GLU A 43 53.656 31.673 48.756 1.00 0.00 H ATOM 666 HB3 GLU A 43 53.256 32.175 50.415 1.00 0.00 H ATOM 667 HG2 GLU A 43 54.083 29.912 51.153 1.00 0.00 H ATOM 668 HG3 GLU A 43 54.730 29.722 49.507 1.00 0.00 H ATOM 669 H GLU A 43 52.261 29.882 47.620 1.00 0.00 H ATOM 670 N GLN A 44 50.860 32.025 48.027 1.00 13.31 N ATOM 671 CA GLN A 44 49.885 33.022 47.625 1.00 14.27 C ATOM 672 C GLN A 44 49.603 32.985 46.136 1.00 13.38 C ATOM 673 O GLN A 44 50.412 32.486 45.343 1.00 13.28 O ATOM 674 CB GLN A 44 50.315 34.425 48.054 1.00 16.23 C ATOM 675 CG GLN A 44 51.367 35.042 47.213 1.00 19.62 C ATOM 676 CD GLN A 44 51.548 36.515 47.520 1.00 24.66 C ATOM 677 OE1 GLN A 44 51.169 37.382 46.725 1.00 27.32 O ATOM 678 NE2 GLN A 44 52.109 36.809 48.689 1.00 26.35 N ATOM 679 HA GLN A 44 48.957 32.772 48.139 1.00 0.00 H ATOM 680 HB2 GLN A 44 49.438 35.071 48.027 1.00 0.00 H ATOM 681 HB3 GLN A 44 50.690 34.366 49.076 1.00 0.00 H ATOM 682 HG2 GLN A 44 52.310 34.526 47.394 1.00 0.00 H ATOM 683 HG3 GLN A 44 51.089 34.932 46.165 1.00 0.00 H ATOM 684 HE22 GLN A 44 52.413 36.046 49.327 1.00 0.00 H ATOM 685 HE21 GLN A 44 52.244 37.802 48.966 1.00 0.00 H ATOM 686 H GLN A 44 51.470 31.577 47.313 1.00 0.00 H ATOM 687 N ILE A 45 48.443 33.519 45.773 1.00 12.91 N ATOM 688 CA ILE A 45 48.088 33.729 44.384 1.00 13.18 C ATOM 689 C ILE A 45 47.839 35.218 44.236 1.00 13.89 C ATOM 690 O ILE A 45 47.010 35.782 44.941 1.00 14.09 O ATOM 691 CB ILE A 45 46.814 32.966 43.988 1.00 12.71 C ATOM 692 CG1 ILE A 45 47.046 31.451 44.057 1.00 12.49 C ATOM 693 CG2 ILE A 45 46.350 33.399 42.564 1.00 13.34 C ATOM 694 CD1 ILE A 45 45.791 30.627 43.845 1.00 13.00 C ATOM 695 HA ILE A 45 48.888 33.365 43.739 1.00 0.00 H ATOM 696 HB ILE A 45 46.023 33.213 44.696 1.00 0.00 H ATOM 697 HG12 ILE A 45 47.769 31.179 43.288 1.00 0.00 H ATOM 698 HG13 ILE A 45 47.453 31.210 45.039 1.00 0.00 H ATOM 699 HD11 ILE A 45 45.059 30.877 44.613 1.00 0.00 H ATOM 700 HD12 ILE A 45 45.376 30.846 42.861 1.00 0.00 H ATOM 701 HD13 ILE A 45 46.039 29.567 43.909 1.00 0.00 H ATOM 702 HG21 ILE A 45 46.142 34.469 42.561 1.00 0.00 H ATOM 703 HG22 ILE A 45 47.138 33.178 41.844 1.00 0.00 H ATOM 704 HG23 ILE A 45 45.447 32.851 42.295 1.00 0.00 H ATOM 705 H ILE A 45 47.765 33.796 46.512 1.00 0.00 H ATOM 706 N HIS A 46 48.573 35.852 43.329 1.00 14.81 N ATOM 707 CA HIS A 46 48.383 37.261 43.052 1.00 16.39 C ATOM 708 C HIS A 46 47.618 37.380 41.737 1.00 16.37 C ATOM 709 O HIS A 46 48.113 36.976 40.681 1.00 16.14 O ATOM 710 CB HIS A 46 49.754 37.929 42.970 1.00 16.95 C ATOM 711 CG HIS A 46 49.731 39.408 43.178 1.00 20.81 C ATOM 712 ND1 HIS A 46 50.714 40.238 42.683 1.00 24.86 N ATOM 713 CD2 HIS A 46 48.853 40.206 43.832 1.00 24.21 C ATOM 714 CE1 HIS A 46 50.441 41.487 43.021 1.00 25.03 C ATOM 715 NE2 HIS A 46 49.318 41.495 43.721 1.00 25.48 N ATOM 716 HA HIS A 46 47.811 37.757 43.837 1.00 0.00 H ATOM 717 HB2 HIS A 46 50.396 37.487 43.732 1.00 0.00 H ATOM 718 HB3 HIS A 46 50.173 37.729 41.984 1.00 0.00 H ATOM 719 HD2 HIS A 46 47.948 39.886 44.349 1.00 0.00 H ATOM 720 HE1 HIS A 46 51.040 42.362 42.766 1.00 0.00 H ATOM 721 H HIS A 46 49.301 35.325 42.806 1.00 0.00 H ATOM 722 N VAL A 47 46.389 37.885 41.807 1.00 15.95 N ATOM 723 CA VAL A 47 45.546 37.984 40.628 1.00 16.95 C ATOM 724 C VAL A 47 45.869 39.281 39.914 1.00 18.86 C ATOM 725 O VAL A 47 45.807 40.360 40.510 1.00 18.34 O ATOM 726 CB VAL A 47 44.032 37.905 40.968 1.00 16.79 C ATOM 727 CG1 VAL A 47 43.173 38.102 39.714 1.00 15.70 C ATOM 728 CG2 VAL A 47 43.693 36.566 41.634 1.00 15.78 C ATOM 729 HA VAL A 47 45.755 37.132 39.981 1.00 0.00 H ATOM 730 HB VAL A 47 43.808 38.710 41.668 1.00 0.00 H ATOM 731 HG11 VAL A 47 43.383 39.080 39.281 1.00 0.00 H ATOM 732 HG12 VAL A 47 43.409 37.324 38.988 1.00 0.00 H ATOM 733 HG13 VAL A 47 42.119 38.041 39.984 1.00 0.00 H ATOM 734 HG21 VAL A 47 43.945 35.750 40.956 1.00 0.00 H ATOM 735 HG22 VAL A 47 44.267 36.464 42.555 1.00 0.00 H ATOM 736 HG23 VAL A 47 42.628 36.535 41.862 1.00 0.00 H ATOM 737 H VAL A 47 46.025 38.215 42.723 1.00 0.00 H ATOM 738 N LEU A 48 46.253 39.157 38.649 1.00 20.29 N ATOM 739 CA LEU A 48 46.483 40.323 37.797 1.00 22.31 C ATOM 740 C LEU A 48 45.449 40.344 36.673 1.00 23.33 C ATOM 741 O LEU A 48 44.596 39.456 36.573 1.00 23.23 O ATOM 742 CB LEU A 48 47.920 40.323 37.252 1.00 22.06 C ATOM 743 CG LEU A 48 49.064 40.230 38.279 1.00 23.17 C ATOM 744 CD1 LEU A 48 50.423 40.080 37.595 1.00 24.74 C ATOM 745 CD2 LEU A 48 49.092 41.408 39.244 1.00 25.43 C ATOM 746 HA LEU A 48 46.366 41.232 38.386 1.00 0.00 H ATOM 747 HB2 LEU A 48 48.015 39.472 36.578 1.00 0.00 H ATOM 748 HB3 LEU A 48 48.058 41.247 36.691 1.00 0.00 H ATOM 749 HG LEU A 48 48.863 39.333 38.865 1.00 0.00 H ATOM 750 HD21 LEU A 48 49.224 42.333 38.683 1.00 0.00 H ATOM 751 HD22 LEU A 48 48.153 41.447 39.795 1.00 0.00 H ATOM 752 HD23 LEU A 48 49.920 41.284 39.942 1.00 0.00 H ATOM 753 HD11 LEU A 48 50.426 39.172 36.992 1.00 0.00 H ATOM 754 HD12 LEU A 48 50.604 40.944 36.955 1.00 0.00 H ATOM 755 HD13 LEU A 48 51.205 40.018 38.352 1.00 0.00 H ATOM 756 H LEU A 48 46.394 38.205 38.254 1.00 0.00 H ATOM 757 N GLU A 49 45.532 41.357 35.816 1.00 24.97 N ATOM 758 CA GLU A 49 44.541 41.554 34.767 1.00 26.43 C ATOM 759 C GLU A 49 44.373 40.333 33.838 1.00 25.92 C ATOM 760 O GLU A 49 43.250 39.891 33.572 1.00 26.29 O ATOM 761 CB GLU A 49 44.905 42.807 33.970 1.00 26.67 C ATOM 762 CG GLU A 49 43.792 43.350 33.104 1.00 28.76 C ATOM 763 CD GLU A 49 44.201 44.626 32.385 1.00 28.86 C ATOM 764 OE1 GLU A 49 45.348 45.094 32.595 1.00 32.54 O ATOM 765 OE2 GLU A 49 43.376 45.163 31.618 1.00 32.45 O ATOM 766 HA GLU A 49 43.572 41.682 35.249 1.00 0.00 H ATOM 767 HB2 GLU A 49 45.197 43.585 34.675 1.00 0.00 H ATOM 768 HB3 GLU A 49 45.750 42.566 33.325 1.00 0.00 H ATOM 769 HG2 GLU A 49 43.524 42.598 32.362 1.00 0.00 H ATOM 770 HG3 GLU A 49 42.927 43.562 33.733 1.00 0.00 H ATOM 771 H GLU A 49 46.325 42.026 35.897 1.00 0.00 H ATOM 772 N LYS A 50 45.491 39.788 33.369 1.00 25.78 N ATOM 773 CA LYS A 50 45.464 38.696 32.396 1.00 25.63 C ATOM 774 C LYS A 50 46.265 37.472 32.837 1.00 24.48 C ATOM 775 O LYS A 50 46.593 36.608 32.016 1.00 24.66 O ATOM 776 CB LYS A 50 45.981 39.184 31.036 1.00 26.04 C ATOM 777 CG LYS A 50 44.998 40.048 30.250 1.00 27.32 C ATOM 778 CD LYS A 50 45.620 40.494 28.930 1.00 27.47 C ATOM 779 CE LYS A 50 44.639 41.321 28.101 1.00 30.64 C ATOM 780 NZ LYS A 50 45.288 41.872 26.865 1.00 32.61 N ATOM 781 HA LYS A 50 44.423 38.384 32.316 1.00 0.00 H ATOM 782 HB2 LYS A 50 46.885 39.768 31.206 1.00 0.00 H ATOM 783 HB3 LYS A 50 46.223 38.310 30.431 1.00 0.00 H ATOM 784 HG2 LYS A 50 44.096 39.471 30.046 1.00 0.00 H ATOM 785 HG3 LYS A 50 44.740 40.927 30.841 1.00 0.00 H ATOM 786 HD2 LYS A 50 46.503 41.097 29.140 1.00 0.00 H ATOM 787 HD3 LYS A 50 45.911 39.612 28.359 1.00 0.00 H ATOM 788 HE2 LYS A 50 44.273 42.149 28.708 1.00 0.00 H ATOM 789 HE3 LYS A 50 43.801 40.688 27.809 1.00 0.00 H ATOM 790 HZ1 LYS A 50 46.085 42.482 27.136 1.00 0.00 H ATOM 791 HZ2 LYS A 50 45.635 41.087 26.278 1.00 0.00 H ATOM 792 HZ3 LYS A 50 44.592 42.427 26.328 1.00 0.00 H ATOM 793 H LYS A 50 46.408 40.147 33.702 1.00 0.00 H ATOM 794 N SER A 51 46.573 37.397 34.130 1.00 22.76 N ATOM 795 CA SER A 51 47.455 36.347 34.634 1.00 20.96 C ATOM 796 C SER A 51 47.298 36.151 36.132 1.00 19.72 C ATOM 797 O SER A 51 46.653 36.960 36.809 1.00 19.83 O ATOM 798 CB SER A 51 48.915 36.674 34.310 1.00 21.42 C ATOM 799 OG SER A 51 49.316 37.882 34.939 1.00 22.31 O ATOM 800 HA SER A 51 47.170 35.419 34.138 1.00 0.00 H ATOM 801 HB2 SER A 51 49.026 36.779 33.231 1.00 0.00 H ATOM 802 HB3 SER A 51 49.550 35.861 34.662 1.00 0.00 H ATOM 803 HG SER A 51 50.262 38.071 34.715 1.00 0.00 H ATOM 804 H SER A 51 46.180 38.097 34.791 1.00 0.00 H ATOM 805 N LEU A 52 47.873 35.055 36.623 1.00 17.70 N ATOM 806 CA LEU A 52 47.997 34.793 38.056 1.00 16.48 C ATOM 807 C LEU A 52 49.469 34.608 38.369 1.00 16.41 C ATOM 808 O LEU A 52 50.148 33.864 37.665 1.00 16.76 O ATOM 809 CB LEU A 52 47.263 33.506 38.444 1.00 16.09 C ATOM 810 CG LEU A 52 45.769 33.356 38.138 1.00 15.76 C ATOM 811 CD1 LEU A 52 45.256 31.949 38.494 1.00 16.79 C ATOM 812 CD2 LEU A 52 44.970 34.410 38.884 1.00 17.73 C ATOM 813 HA LEU A 52 47.564 35.626 38.610 1.00 0.00 H ATOM 814 HB2 LEU A 52 47.773 32.687 37.936 1.00 0.00 H ATOM 815 HB3 LEU A 52 47.377 33.391 39.522 1.00 0.00 H ATOM 816 HG LEU A 52 45.635 33.498 37.066 1.00 0.00 H ATOM 817 HD21 LEU A 52 45.128 34.293 39.956 1.00 0.00 H ATOM 818 HD22 LEU A 52 45.300 35.401 38.573 1.00 0.00 H ATOM 819 HD23 LEU A 52 43.911 34.290 38.656 1.00 0.00 H ATOM 820 HD11 LEU A 52 45.803 31.206 37.913 1.00 0.00 H ATOM 821 HD12 LEU A 52 45.410 31.766 39.557 1.00 0.00 H ATOM 822 HD13 LEU A 52 44.193 31.882 38.263 1.00 0.00 H ATOM 823 H LEU A 52 48.252 34.353 35.956 1.00 0.00 H ATOM 824 N VAL A 53 49.969 35.250 39.419 1.00 15.27 N ATOM 825 CA VAL A 53 51.330 34.955 39.872 1.00 15.72 C ATOM 826 C VAL A 53 51.242 33.991 41.044 1.00 15.06 C ATOM 827 O VAL A 53 50.650 34.305 42.077 1.00 14.92 O ATOM 828 CB VAL A 53 52.137 36.206 40.275 1.00 15.95 C ATOM 829 CG1 VAL A 53 53.578 35.816 40.599 1.00 17.21 C ATOM 830 CG2 VAL A 53 52.097 37.239 39.159 1.00 17.85 C ATOM 831 HA VAL A 53 51.869 34.516 39.033 1.00 0.00 H ATOM 832 HB VAL A 53 51.689 36.647 41.166 1.00 0.00 H ATOM 833 HG11 VAL A 53 53.584 35.104 41.424 1.00 0.00 H ATOM 834 HG12 VAL A 53 54.036 35.360 39.721 1.00 0.00 H ATOM 835 HG13 VAL A 53 54.139 36.706 40.882 1.00 0.00 H ATOM 836 HG21 VAL A 53 52.529 36.811 38.254 1.00 0.00 H ATOM 837 HG22 VAL A 53 51.063 37.527 38.969 1.00 0.00 H ATOM 838 HG23 VAL A 53 52.671 38.117 39.457 1.00 0.00 H ATOM 839 H VAL A 53 49.396 35.960 39.918 1.00 0.00 H ATOM 840 N LEU A 54 51.855 32.823 40.873 1.00 14.87 N ATOM 841 CA LEU A 54 51.827 31.778 41.875 1.00 14.95 C ATOM 842 C LEU A 54 53.155 31.755 42.616 1.00 15.35 C ATOM 843 O LEU A 54 54.213 31.574 42.000 1.00 16.01 O ATOM 844 CB LEU A 54 51.575 30.429 41.198 1.00 14.88 C ATOM 845 CG LEU A 54 50.386 30.329 40.239 1.00 15.30 C ATOM 846 CD1 LEU A 54 50.404 28.932 39.620 1.00 16.33 C ATOM 847 CD2 LEU A 54 49.046 30.601 40.935 1.00 16.62 C ATOM 848 HA LEU A 54 51.025 31.971 42.588 1.00 0.00 H ATOM 849 HB2 LEU A 54 52.472 30.174 40.634 1.00 0.00 H ATOM 850 HB3 LEU A 54 51.422 29.692 41.986 1.00 0.00 H ATOM 851 HG LEU A 54 50.483 31.095 39.469 1.00 0.00 H ATOM 852 HD21 LEU A 54 48.898 29.872 41.732 1.00 0.00 H ATOM 853 HD22 LEU A 54 49.054 31.606 41.357 1.00 0.00 H ATOM 854 HD23 LEU A 54 48.237 30.517 40.209 1.00 0.00 H ATOM 855 HD11 LEU A 54 51.340 28.787 39.080 1.00 0.00 H ATOM 856 HD12 LEU A 54 50.319 28.185 40.409 1.00 0.00 H ATOM 857 HD13 LEU A 54 49.566 28.831 38.930 1.00 0.00 H ATOM 858 H LEU A 54 52.373 32.654 39.987 1.00 0.00 H ATOM 859 N LYS A 55 53.094 31.927 43.934 1.00 15.07 N ATOM 860 CA LYS A 55 54.287 31.920 44.778 1.00 15.86 C ATOM 861 C LYS A 55 54.308 30.646 45.616 1.00 15.80 C ATOM 862 O LYS A 55 53.333 30.356 46.326 1.00 15.46 O ATOM 863 CB LYS A 55 54.300 33.154 45.687 1.00 16.89 C ATOM 864 CG LYS A 55 54.162 34.480 44.936 1.00 20.31 C ATOM 865 CD LYS A 55 55.486 34.912 44.304 1.00 25.06 C ATOM 866 CE LYS A 55 55.424 36.345 43.786 1.00 26.69 C ATOM 867 NZ LYS A 55 56.639 36.706 43.004 1.00 28.73 N ATOM 868 HA LYS A 55 55.175 31.948 44.146 1.00 0.00 H ATOM 869 HB2 LYS A 55 53.472 33.070 46.391 1.00 0.00 H ATOM 870 HB3 LYS A 55 55.242 33.166 46.235 1.00 0.00 H ATOM 871 HG2 LYS A 55 53.416 34.365 44.150 1.00 0.00 H ATOM 872 HG3 LYS A 55 53.836 35.250 45.635 1.00 0.00 H ATOM 873 HD2 LYS A 55 56.275 34.841 45.053 1.00 0.00 H ATOM 874 HD3 LYS A 55 55.715 34.245 43.473 1.00 0.00 H ATOM 875 HE2 LYS A 55 55.336 37.023 44.635 1.00 0.00 H ATOM 876 HE3 LYS A 55 54.548 36.451 43.146 1.00 0.00 H ATOM 877 HZ1 LYS A 55 57.480 36.614 43.610 1.00 0.00 H ATOM 878 HZ2 LYS A 55 56.727 36.068 42.188 1.00 0.00 H ATOM 879 HZ3 LYS A 55 56.556 37.688 42.671 1.00 0.00 H ATOM 880 H LYS A 55 52.165 32.071 44.379 1.00 0.00 H ATOM 881 N PHE A 56 55.401 29.886 45.513 1.00 16.23 N ATOM 882 CA PHE A 56 55.581 28.638 46.252 1.00 16.53 C ATOM 883 C PHE A 56 56.873 28.642 47.035 1.00 18.02 C ATOM 884 O PHE A 56 57.747 29.486 46.815 1.00 18.26 O ATOM 885 CB PHE A 56 55.755 27.464 45.284 1.00 15.70 C ATOM 886 CG PHE A 56 54.609 27.241 44.346 1.00 14.19 C ATOM 887 CD1 PHE A 56 54.575 27.850 43.091 1.00 13.16 C ATOM 888 CD2 PHE A 56 53.588 26.364 44.693 1.00 12.15 C ATOM 889 CE1 PHE A 56 53.520 27.601 42.214 1.00 12.81 C ATOM 890 CE2 PHE A 56 52.534 26.114 43.822 1.00 13.21 C ATOM 891 CZ PHE A 56 52.502 26.731 42.584 1.00 13.63 C ATOM 892 HA PHE A 56 54.705 28.545 46.894 1.00 0.00 H ATOM 893 HB2 PHE A 56 56.649 27.647 44.688 1.00 0.00 H ATOM 894 HB3 PHE A 56 55.891 26.557 45.873 1.00 0.00 H ATOM 895 HD2 PHE A 56 53.614 25.865 45.662 1.00 0.00 H ATOM 896 HE2 PHE A 56 51.734 25.433 44.114 1.00 0.00 H ATOM 897 HZ PHE A 56 51.678 26.534 41.899 1.00 0.00 H ATOM 898 HE1 PHE A 56 53.494 28.088 41.239 1.00 0.00 H ATOM 899 HD1 PHE A 56 55.378 28.525 42.794 1.00 0.00 H ATOM 900 H PHE A 56 56.162 30.197 44.876 1.00 0.00 H ATOM 901 N HIS A 57 57.003 27.642 47.903 1.00 19.14 N ATOM 902 CA HIS A 57 58.321 27.096 48.242 1.00 21.01 C ATOM 903 C HIS A 57 58.426 25.579 47.960 1.00 21.58 C ATOM 904 O HIS A 57 57.419 24.871 47.833 1.00 20.09 O ATOM 905 CB HIS A 57 58.746 27.459 49.670 1.00 21.26 C ATOM 906 CG HIS A 57 57.758 27.078 50.726 1.00 23.95 C ATOM 907 ND1 HIS A 57 57.860 25.915 51.458 1.00 27.10 N ATOM 908 CD2 HIS A 57 56.665 27.723 51.196 1.00 26.18 C ATOM 909 CE1 HIS A 57 56.867 25.854 52.328 1.00 26.75 C ATOM 910 NE2 HIS A 57 56.124 26.938 52.185 1.00 27.77 N ATOM 911 HA HIS A 57 59.036 27.576 47.574 1.00 0.00 H ATOM 912 HB2 HIS A 57 59.687 26.952 49.885 1.00 0.00 H ATOM 913 HB3 HIS A 57 58.896 28.538 49.717 1.00 0.00 H ATOM 914 HD2 HIS A 57 56.285 28.686 50.854 1.00 0.00 H ATOM 915 HE1 HIS A 57 56.691 25.048 53.041 1.00 0.00 H ATOM 916 H HIS A 57 56.154 27.240 48.349 1.00 0.00 H ATOM 917 N GLY A 58 59.654 25.088 47.825 1.00 22.47 N ATOM 918 CA GLY A 58 59.878 23.658 47.607 1.00 23.72 C ATOM 919 C GLY A 58 61.341 23.265 47.693 1.00 24.59 C ATOM 920 O GLY A 58 62.218 24.005 47.241 1.00 25.90 O ATOM 921 HA3 GLY A 58 59.505 23.395 46.617 1.00 0.00 H ATOM 922 HA2 GLY A 58 59.324 23.101 48.362 1.00 0.00 H ATOM 923 H GLY A 58 60.470 25.731 47.875 1.00 0.00 H TER 924 GLY A 58 ATOM 925 N SER A 69 63.628 26.497 48.873 1.00 33.07 N ATOM 926 CA SER A 69 63.780 27.741 48.129 1.00 32.88 C ATOM 927 C SER A 69 62.443 28.316 47.659 1.00 32.43 C ATOM 928 O SER A 69 61.431 27.614 47.614 1.00 32.56 O ATOM 929 CB SER A 69 64.726 27.543 46.939 1.00 33.14 C ATOM 930 OG SER A 69 64.302 26.472 46.113 1.00 34.39 O ATOM 931 HA SER A 69 64.213 28.468 48.816 1.00 0.00 H ATOM 932 HB2 SER A 69 65.727 27.328 47.313 1.00 0.00 H ATOM 933 HB3 SER A 69 64.750 28.459 46.348 1.00 0.00 H ATOM 934 HG SER A 69 64.932 26.371 45.356 1.00 0.00 H ATOM 935 HN3 SER A 69 63.170 25.786 48.267 1.00 0.00 H ATOM 936 HN2 SER A 69 63.041 26.667 49.714 1.00 0.00 H ATOM 937 HN1 SER A 69 64.565 26.153 49.166 1.00 0.00 H ATOM 938 N GLU A 70 62.457 29.599 47.315 1.00 31.78 N ATOM 939 CA GLU A 70 61.273 30.301 46.829 1.00 31.44 C ATOM 940 C GLU A 70 61.135 30.153 45.320 1.00 30.63 C ATOM 941 O GLU A 70 62.132 30.169 44.589 1.00 30.83 O ATOM 942 CB GLU A 70 61.333 31.783 47.207 1.00 31.73 C ATOM 943 CG GLU A 70 61.356 32.048 48.711 1.00 33.59 C ATOM 944 CD GLU A 70 60.091 31.578 49.410 1.00 36.28 C ATOM 945 OE1 GLU A 70 59.015 32.160 49.150 1.00 37.83 O ATOM 946 OE2 GLU A 70 60.178 30.631 50.224 1.00 37.26 O ATOM 947 HA GLU A 70 60.399 29.852 47.302 1.00 0.00 H ATOM 948 HB2 GLU A 70 62.236 32.210 46.771 1.00 0.00 H ATOM 949 HB3 GLU A 70 60.458 32.279 46.786 1.00 0.00 H ATOM 950 HG2 GLU A 70 62.209 31.525 49.144 1.00 0.00 H ATOM 951 HG3 GLU A 70 61.467 33.120 48.875 1.00 0.00 H ATOM 952 H GLU A 70 63.350 30.126 47.395 1.00 0.00 H ATOM 953 N LEU A 71 59.895 30.013 44.862 1.00 29.22 N ATOM 954 CA LEU A 71 59.601 29.818 43.451 1.00 27.98 C ATOM 955 C LEU A 71 58.413 30.690 43.075 1.00 26.81 C ATOM 956 O LEU A 71 57.395 30.703 43.770 1.00 26.30 O ATOM 957 CB LEU A 71 59.276 28.345 43.176 1.00 28.67 C ATOM 958 CG LEU A 71 59.741 27.671 41.879 1.00 30.18 C ATOM 959 CD1 LEU A 71 59.616 26.153 42.005 1.00 30.77 C ATOM 960 CD2 LEU A 71 58.997 28.175 40.646 1.00 32.05 C ATOM 961 HA LEU A 71 60.470 30.096 42.854 1.00 0.00 H ATOM 962 HB2 LEU A 71 59.707 27.772 43.997 1.00 0.00 H ATOM 963 HB3 LEU A 71 58.190 28.255 43.202 1.00 0.00 H ATOM 964 HG LEU A 71 60.788 27.939 41.735 1.00 0.00 H ATOM 965 HD21 LEU A 71 57.931 27.976 40.760 1.00 0.00 H ATOM 966 HD22 LEU A 71 59.158 29.248 40.539 1.00 0.00 H ATOM 967 HD23 LEU A 71 59.372 27.660 39.761 1.00 0.00 H ATOM 968 HD11 LEU A 71 60.235 25.806 42.832 1.00 0.00 H ATOM 969 HD12 LEU A 71 58.575 25.890 42.193 1.00 0.00 H ATOM 970 HD13 LEU A 71 59.949 25.684 41.079 1.00 0.00 H ATOM 971 H LEU A 71 59.105 30.044 45.538 1.00 0.00 H ATOM 972 N SER A 72 58.560 31.433 41.986 1.00 25.39 N ATOM 973 CA SER A 72 57.498 32.283 41.472 1.00 24.44 C ATOM 974 C SER A 72 57.232 31.896 40.027 1.00 23.83 C ATOM 975 O SER A 72 58.171 31.632 39.264 1.00 23.84 O ATOM 976 CB SER A 72 57.889 33.759 41.587 1.00 24.62 C ATOM 977 OG SER A 72 56.822 34.609 41.221 1.00 26.19 O ATOM 978 HA SER A 72 56.589 32.143 42.058 1.00 0.00 H ATOM 979 HB2 SER A 72 58.737 33.953 40.931 1.00 0.00 H ATOM 980 HB3 SER A 72 58.173 33.971 42.618 1.00 0.00 H ATOM 981 HG SER A 72 56.562 34.426 40.283 1.00 0.00 H ATOM 982 H SER A 72 59.469 31.407 41.481 1.00 0.00 H ATOM 983 N MET A 73 55.951 31.832 39.673 1.00 22.43 N ATOM 984 CA MET A 73 55.493 31.369 38.368 1.00 21.96 C ATOM 985 C MET A 73 54.380 32.255 37.875 1.00 20.90 C ATOM 986 O MET A 73 53.487 32.602 38.643 1.00 20.50 O ATOM 987 CB MET A 73 54.887 29.976 38.516 1.00 22.18 C ATOM 988 CG MET A 73 55.732 28.851 38.070 1.00 24.20 C ATOM 989 SD MET A 73 54.790 27.373 38.479 1.00 22.58 S ATOM 990 CE MET A 73 55.891 26.643 39.670 1.00 24.72 C ATOM 991 HA MET A 73 56.341 31.376 37.683 1.00 0.00 H ATOM 992 HB2 MET A 73 54.657 29.823 39.570 1.00 0.00 H ATOM 993 HB3 MET A 73 53.964 29.950 37.936 1.00 0.00 H ATOM 994 HG2 MET A 73 56.686 28.856 38.596 1.00 0.00 H ATOM 995 HG3 MET A 73 55.911 28.907 36.996 1.00 0.00 H ATOM 996 HE1 MET A 73 56.853 26.444 39.199 1.00 0.00 H ATOM 997 HE2 MET A 73 56.029 27.330 40.505 1.00 0.00 H ATOM 998 HE3 MET A 73 55.463 25.709 40.034 1.00 0.00 H ATOM 999 H MET A 73 55.235 32.129 40.367 1.00 0.00 H ATOM 1000 N VAL A 74 54.398 32.596 36.592 1.00 19.40 N ATOM 1001 CA VAL A 74 53.311 33.377 36.016 1.00 19.06 C ATOM 1002 C VAL A 74 52.423 32.498 35.146 1.00 18.69 C ATOM 1003 O VAL A 74 52.890 31.905 34.163 1.00 19.00 O ATOM 1004 CB VAL A 74 53.836 34.560 35.176 1.00 19.35 C ATOM 1005 CG1 VAL A 74 52.682 35.301 34.527 1.00 19.81 C ATOM 1006 CG2 VAL A 74 54.654 35.499 36.040 1.00 19.91 C ATOM 1007 HA VAL A 74 52.731 33.777 36.847 1.00 0.00 H ATOM 1008 HB VAL A 74 54.480 34.169 34.388 1.00 0.00 H ATOM 1009 HG11 VAL A 74 52.134 34.619 33.877 1.00 0.00 H ATOM 1010 HG12 VAL A 74 52.016 35.682 35.301 1.00 0.00 H ATOM 1011 HG13 VAL A 74 53.071 36.132 33.938 1.00 0.00 H ATOM 1012 HG21 VAL A 74 54.030 35.884 36.847 1.00 0.00 H ATOM 1013 HG22 VAL A 74 55.501 34.958 36.461 1.00 0.00 H ATOM 1014 HG23 VAL A 74 55.016 36.328 35.432 1.00 0.00 H ATOM 1015 H VAL A 74 55.196 32.303 35.992 1.00 0.00 H ATOM 1016 N ALA A 75 51.143 32.420 35.503 1.00 17.34 N ATOM 1017 CA ALA A 75 50.195 31.641 34.721 1.00 17.18 C ATOM 1018 C ALA A 75 49.318 32.576 33.902 1.00 17.70 C ATOM 1019 O ALA A 75 48.668 33.476 34.443 1.00 17.27 O ATOM 1020 CB ALA A 75 49.359 30.764 35.629 1.00 16.94 C ATOM 1021 HA ALA A 75 50.740 30.989 34.038 1.00 0.00 H ATOM 1022 HB1 ALA A 75 50.012 30.085 36.177 1.00 0.00 H ATOM 1023 HB2 ALA A 75 48.811 31.390 36.333 1.00 0.00 H ATOM 1024 HB3 ALA A 75 48.655 30.188 35.028 1.00 0.00 H ATOM 1025 H ALA A 75 50.816 32.923 36.353 1.00 0.00 H ATOM 1026 N ASP A 76 49.293 32.357 32.595 1.00 18.33 N ATOM 1027 CA ASP A 76 48.570 33.250 31.696 1.00 20.03 C ATOM 1028 C ASP A 76 47.206 32.695 31.333 1.00 20.20 C ATOM 1029 O ASP A 76 47.040 31.487 31.164 1.00 19.69 O ATOM 1030 CB ASP A 76 49.380 33.480 30.418 1.00 20.53 C ATOM 1031 CG ASP A 76 50.666 34.252 30.671 1.00 23.59 C ATOM 1032 OD1 ASP A 76 50.612 35.342 31.282 1.00 26.52 O ATOM 1033 OD2 ASP A 76 51.738 33.771 30.258 1.00 26.93 O ATOM 1034 HA ASP A 76 48.427 34.195 32.219 1.00 0.00 H ATOM 1035 HB2 ASP A 76 49.633 32.512 29.986 1.00 0.00 H ATOM 1036 HB3 ASP A 76 48.768 34.042 29.713 1.00 0.00 H ATOM 1037 H ASP A 76 49.797 31.535 32.204 1.00 0.00 H ATOM 1038 N LYS A 77 46.226 33.584 31.192 1.00 20.95 N ATOM 1039 CA LYS A 77 44.935 33.194 30.644 1.00 22.97 C ATOM 1040 C LYS A 77 45.117 32.585 29.254 1.00 23.11 C ATOM 1041 O LYS A 77 45.920 33.081 28.449 1.00 23.43 O ATOM 1042 CB LYS A 77 43.999 34.406 30.552 1.00 22.77 C ATOM 1043 CG LYS A 77 43.355 34.812 31.866 1.00 24.26 C ATOM 1044 CD LYS A 77 42.724 36.210 31.788 1.00 25.02 C ATOM 1045 CE LYS A 77 41.399 36.221 31.037 1.00 29.08 C ATOM 1046 NZ LYS A 77 40.224 36.304 31.953 1.00 30.95 N ATOM 1047 HA LYS A 77 44.491 32.454 31.309 1.00 0.00 H ATOM 1048 HB2 LYS A 77 44.576 35.253 30.180 1.00 0.00 H ATOM 1049 HB3 LYS A 77 43.205 34.169 29.843 1.00 0.00 H ATOM 1050 HG2 LYS A 77 42.579 34.089 32.117 1.00 0.00 H ATOM 1051 HG3 LYS A 77 44.116 34.812 32.646 1.00 0.00 H ATOM 1052 HD2 LYS A 77 42.553 36.572 32.802 1.00 0.00 H ATOM 1053 HD3 LYS A 77 43.419 36.878 31.278 1.00 0.00 H ATOM 1054 HE2 LYS A 77 41.322 35.305 30.451 1.00 0.00 H ATOM 1055 HE3 LYS A 77 41.383 37.082 30.368 1.00 0.00 H ATOM 1056 HZ1 LYS A 77 40.225 35.483 32.591 1.00 0.00 H ATOM 1057 HZ2 LYS A 77 40.283 37.179 32.512 1.00 0.00 H ATOM 1058 HZ3 LYS A 77 39.348 36.308 31.392 1.00 0.00 H ATOM 1059 H LYS A 77 46.385 34.571 31.477 1.00 0.00 H ATOM 1060 N THR A 78 44.396 31.499 28.985 1.00 24.09 N ATOM 1061 CA THR A 78 44.361 30.923 27.644 1.00 24.74 C ATOM 1062 C THR A 78 43.068 31.363 26.965 1.00 25.57 C ATOM 1063 O THR A 78 42.338 32.211 27.491 1.00 25.17 O ATOM 1064 CB THR A 78 44.439 29.368 27.639 1.00 24.63 C ATOM 1065 OG1 THR A 78 43.196 28.816 28.081 1.00 24.48 O ATOM 1066 CG2 THR A 78 45.583 28.852 28.509 1.00 24.53 C ATOM 1067 HA THR A 78 45.241 31.282 27.109 1.00 0.00 H ATOM 1068 HB THR A 78 44.636 29.049 26.616 1.00 0.00 H ATOM 1069 HG1 THR A 78 43.254 27.828 28.075 1.00 0.00 H ATOM 1070 HG23 THR A 78 46.523 29.280 28.162 1.00 0.00 H ATOM 1071 HG21 THR A 78 45.410 29.144 29.545 1.00 0.00 H ATOM 1072 HG22 THR A 78 45.629 27.765 28.439 1.00 0.00 H ATOM 1073 H THR A 78 43.846 31.051 29.746 1.00 0.00 H ATOM 1074 N GLU A 79 42.778 30.757 25.816 1.00 26.41 N ATOM 1075 CA GLU A 79 41.618 31.123 25.011 1.00 27.86 C ATOM 1076 C GLU A 79 40.288 30.649 25.591 1.00 27.62 C ATOM 1077 O GLU A 79 39.229 31.180 25.237 1.00 28.05 O ATOM 1078 CB GLU A 79 41.799 30.640 23.570 1.00 27.69 C ATOM 1079 CG GLU A 79 42.956 31.342 22.860 1.00 29.51 C ATOM 1080 CD GLU A 79 43.151 30.889 21.427 1.00 30.01 C ATOM 1081 OE1 GLU A 79 43.365 29.673 21.196 1.00 34.27 O ATOM 1082 OE2 GLU A 79 43.113 31.760 20.531 1.00 33.86 O ATOM 1083 HA GLU A 79 41.566 32.212 25.023 1.00 0.00 H ATOM 1084 HB2 GLU A 79 41.995 29.568 23.582 1.00 0.00 H ATOM 1085 HB3 GLU A 79 40.880 30.834 23.018 1.00 0.00 H ATOM 1086 HG2 GLU A 79 42.761 32.414 22.859 1.00 0.00 H ATOM 1087 HG3 GLU A 79 43.873 31.141 23.413 1.00 0.00 H ATOM 1088 H GLU A 79 43.401 29.995 25.480 1.00 0.00 H ATOM 1089 N LYS A 80 40.330 29.662 26.483 1.00 27.43 N ATOM 1090 CA LYS A 80 39.105 29.263 27.172 1.00 27.28 C ATOM 1091 C LYS A 80 39.028 29.864 28.569 1.00 26.56 C ATOM 1092 O LYS A 80 40.003 29.835 29.328 1.00 25.92 O ATOM 1093 CB LYS A 80 38.894 27.747 27.178 1.00 28.09 C ATOM 1094 CG LYS A 80 40.026 26.926 27.730 1.00 29.92 C ATOM 1095 CD LYS A 80 39.607 25.468 27.912 1.00 32.42 C ATOM 1096 CE LYS A 80 39.685 24.690 26.601 1.00 34.32 C ATOM 1097 NZ LYS A 80 41.081 24.631 26.086 1.00 35.35 N ATOM 1098 HA LYS A 80 38.275 29.675 26.598 1.00 0.00 H ATOM 1099 HB2 LYS A 80 38.007 27.536 27.775 1.00 0.00 H ATOM 1100 HB3 LYS A 80 38.722 27.430 26.149 1.00 0.00 H ATOM 1101 HG2 LYS A 80 40.869 26.972 27.041 1.00 0.00 H ATOM 1102 HG3 LYS A 80 40.325 27.334 28.695 1.00 0.00 H ATOM 1103 HD2 LYS A 80 40.267 24.999 28.641 1.00 0.00 H ATOM 1104 HD3 LYS A 80 38.582 25.438 28.280 1.00 0.00 H ATOM 1105 HE2 LYS A 80 39.054 25.180 25.860 1.00 0.00 H ATOM 1106 HE3 LYS A 80 39.325 23.675 26.769 1.00 0.00 H ATOM 1107 HZ1 LYS A 80 41.428 25.597 25.918 1.00 0.00 H ATOM 1108 HZ2 LYS A 80 41.688 24.160 26.787 1.00 0.00 H ATOM 1109 HZ3 LYS A 80 41.098 24.096 25.195 1.00 0.00 H ATOM 1110 H LYS A 80 41.228 29.179 26.688 1.00 0.00 H ATOM 1111 N ALA A 81 37.864 30.430 28.880 1.00 25.41 N ATOM 1112 CA ALA A 81 37.631 31.095 30.158 1.00 24.26 C ATOM 1113 C ALA A 81 37.879 30.132 31.315 1.00 23.17 C ATOM 1114 O ALA A 81 37.450 28.976 31.287 1.00 23.99 O ATOM 1115 CB ALA A 81 36.217 31.661 30.222 1.00 24.66 C ATOM 1116 HA ALA A 81 38.333 31.925 30.245 1.00 0.00 H ATOM 1117 HB1 ALA A 81 36.080 32.384 29.418 1.00 0.00 H ATOM 1118 HB2 ALA A 81 35.497 30.850 30.110 1.00 0.00 H ATOM 1119 HB3 ALA A 81 36.067 32.152 31.184 1.00 0.00 H ATOM 1120 H ALA A 81 37.091 30.397 28.185 1.00 0.00 H ATOM 1121 N GLY A 82 38.596 30.620 32.315 1.00 21.64 N ATOM 1122 CA GLY A 82 38.892 29.819 33.491 1.00 18.96 C ATOM 1123 C GLY A 82 40.072 28.874 33.365 1.00 17.63 C ATOM 1124 O GLY A 82 40.392 28.189 34.325 1.00 15.88 O ATOM 1125 HA3 GLY A 82 38.009 29.223 33.721 1.00 0.00 H ATOM 1126 HA2 GLY A 82 39.095 30.500 34.318 1.00 0.00 H ATOM 1127 H GLY A 82 38.954 31.595 32.258 1.00 0.00 H ATOM 1128 N GLU A 83 40.719 28.842 32.196 1.00 16.61 N ATOM 1129 CA GLU A 83 41.944 28.056 32.004 1.00 16.73 C ATOM 1130 C GLU A 83 43.194 28.933 31.953 1.00 15.97 C ATOM 1131 O GLU A 83 43.182 30.023 31.368 1.00 16.25 O ATOM 1132 CB GLU A 83 41.869 27.229 30.723 1.00 16.59 C ATOM 1133 CG GLU A 83 42.909 26.107 30.663 1.00 18.43 C ATOM 1134 CD GLU A 83 42.885 25.335 29.354 1.00 20.62 C ATOM 1135 OE1 GLU A 83 42.812 24.089 29.403 1.00 25.24 O ATOM 1136 OE2 GLU A 83 42.935 25.970 28.275 1.00 25.73 O ATOM 1137 HA GLU A 83 42.020 27.395 32.867 1.00 0.00 H ATOM 1138 HB2 GLU A 83 40.876 26.784 30.656 1.00 0.00 H ATOM 1139 HB3 GLU A 83 42.027 27.893 29.873 1.00 0.00 H ATOM 1140 HG2 GLU A 83 43.899 26.545 30.788 1.00 0.00 H ATOM 1141 HG3 GLU A 83 42.715 25.411 31.479 1.00 0.00 H ATOM 1142 H GLU A 83 40.343 29.391 31.397 1.00 0.00 H ATOM 1143 N TYR A 84 44.271 28.438 32.559 1.00 14.45 N ATOM 1144 CA TYR A 84 45.536 29.138 32.606 1.00 14.28 C ATOM 1145 C TYR A 84 46.633 28.196 32.176 1.00 14.13 C ATOM 1146 O TYR A 84 46.522 26.990 32.367 1.00 13.68 O ATOM 1147 CB TYR A 84 45.828 29.623 34.026 1.00 14.86 C ATOM 1148 CG TYR A 84 44.900 30.712 34.475 1.00 16.22 C ATOM 1149 CD1 TYR A 84 43.673 30.411 35.035 1.00 17.16 C ATOM 1150 CD2 TYR A 84 45.259 32.049 34.330 1.00 16.62 C ATOM 1151 CE1 TYR A 84 42.805 31.439 35.440 1.00 17.70 C ATOM 1152 CE2 TYR A 84 44.418 33.071 34.738 1.00 18.44 C ATOM 1153 CZ TYR A 84 43.191 32.755 35.288 1.00 17.52 C ATOM 1154 OH TYR A 84 42.335 33.764 35.697 1.00 20.96 O ATOM 1155 HA TYR A 84 45.488 30.000 31.940 1.00 0.00 H ATOM 1156 HB3 TYR A 84 46.850 30.000 34.061 1.00 0.00 H ATOM 1157 HB2 TYR A 84 45.730 28.779 34.709 1.00 0.00 H ATOM 1158 HD2 TYR A 84 46.223 32.297 33.886 1.00 0.00 H ATOM 1159 HE2 TYR A 84 44.721 34.112 34.626 1.00 0.00 H ATOM 1160 HE1 TYR A 84 41.833 31.199 35.871 1.00 0.00 H ATOM 1161 HD1 TYR A 84 43.377 29.370 35.163 1.00 0.00 H ATOM 1162 HH TYR A 84 41.507 33.364 36.064 1.00 0.00 H ATOM 1163 H TYR A 84 44.200 27.508 33.019 1.00 0.00 H ATOM 1164 N SER A 85 47.693 28.756 31.606 1.00 14.12 N ATOM 1165 CA SER A 85 48.856 27.962 31.241 1.00 14.66 C ATOM 1166 C SER A 85 50.112 28.494 31.915 1.00 15.02 C ATOM 1167 O SER A 85 50.230 29.696 32.197 1.00 15.09 O ATOM 1168 CB SER A 85 49.047 27.960 29.725 1.00 15.15 C ATOM 1169 OG SER A 85 49.285 29.275 29.272 1.00 17.32 O ATOM 1170 HA SER A 85 48.684 26.941 31.582 1.00 0.00 H ATOM 1171 HB2 SER A 85 48.149 27.569 29.247 1.00 0.00 H ATOM 1172 HB3 SER A 85 49.898 27.329 29.468 1.00 0.00 H ATOM 1173 HG SER A 85 50.102 29.629 29.705 1.00 0.00 H ATOM 1174 H SER A 85 47.692 29.779 31.417 1.00 0.00 H ATOM 1175 N VAL A 86 51.052 27.594 32.178 1.00 14.59 N ATOM 1176 CA VAL A 86 52.336 28.000 32.739 1.00 15.66 C ATOM 1177 C VAL A 86 53.415 26.998 32.365 1.00 15.26 C ATOM 1178 O VAL A 86 53.183 25.784 32.320 1.00 15.30 O ATOM 1179 CB VAL A 86 52.273 28.199 34.283 1.00 16.34 C ATOM 1180 CG1 VAL A 86 51.888 26.901 34.990 1.00 16.59 C ATOM 1181 CG2 VAL A 86 53.595 28.718 34.811 1.00 17.83 C ATOM 1182 HA VAL A 86 52.588 28.969 32.308 1.00 0.00 H ATOM 1183 HB VAL A 86 51.502 28.940 34.493 1.00 0.00 H ATOM 1184 HG11 VAL A 86 50.909 26.575 34.640 1.00 0.00 H ATOM 1185 HG12 VAL A 86 52.629 26.134 34.767 1.00 0.00 H ATOM 1186 HG13 VAL A 86 51.852 27.072 36.066 1.00 0.00 H ATOM 1187 HG21 VAL A 86 54.384 28.002 34.580 1.00 0.00 H ATOM 1188 HG22 VAL A 86 53.822 29.675 34.341 1.00 0.00 H ATOM 1189 HG23 VAL A 86 53.527 28.849 35.891 1.00 0.00 H ATOM 1190 H VAL A 86 50.871 26.589 31.982 1.00 0.00 H ATOM 1191 N THR A 87 54.593 27.530 32.077 1.00 15.36 N ATOM 1192 CA THR A 87 55.736 26.686 31.825 1.00 15.96 C ATOM 1193 C THR A 87 56.450 26.371 33.133 1.00 15.54 C ATOM 1194 O THR A 87 56.906 27.269 33.841 1.00 15.84 O ATOM 1195 CB THR A 87 56.692 27.343 30.809 1.00 16.20 C ATOM 1196 OG1 THR A 87 56.013 27.449 29.552 1.00 18.93 O ATOM 1197 CG2 THR A 87 57.976 26.510 30.641 1.00 17.69 C ATOM 1198 HA THR A 87 55.390 25.749 31.389 1.00 0.00 H ATOM 1199 HB THR A 87 56.979 28.330 31.171 1.00 0.00 H ATOM 1200 HG1 THR A 87 55.201 28.005 29.663 1.00 0.00 H ATOM 1201 HG23 THR A 87 58.487 26.434 31.601 1.00 0.00 H ATOM 1202 HG21 THR A 87 57.717 25.513 30.286 1.00 0.00 H ATOM 1203 HG22 THR A 87 58.631 26.996 29.917 1.00 0.00 H ATOM 1204 H THR A 87 54.695 28.564 32.032 1.00 0.00 H ATOM 1205 N TYR A 88 56.522 25.080 33.449 1.00 15.25 N ATOM 1206 CA TYR A 88 57.236 24.582 34.614 1.00 14.80 C ATOM 1207 C TYR A 88 57.381 23.077 34.463 1.00 14.91 C ATOM 1208 O TYR A 88 56.383 22.367 34.392 1.00 13.63 O ATOM 1209 CB TYR A 88 56.510 24.917 35.932 1.00 14.98 C ATOM 1210 CG TYR A 88 57.187 24.255 37.117 1.00 13.95 C ATOM 1211 CD1 TYR A 88 58.383 24.762 37.624 1.00 14.42 C ATOM 1212 CD2 TYR A 88 56.663 23.093 37.700 1.00 14.41 C ATOM 1213 CE1 TYR A 88 59.031 24.154 38.680 1.00 15.52 C ATOM 1214 CE2 TYR A 88 57.303 22.475 38.771 1.00 14.88 C ATOM 1215 CZ TYR A 88 58.494 23.016 39.257 1.00 14.97 C ATOM 1216 OH TYR A 88 59.160 22.419 40.315 1.00 15.57 O ATOM 1217 HA TYR A 88 58.211 25.067 34.665 1.00 0.00 H ATOM 1218 HB3 TYR A 88 55.480 24.566 35.870 1.00 0.00 H ATOM 1219 HB2 TYR A 88 56.516 25.997 36.077 1.00 0.00 H ATOM 1220 HD2 TYR A 88 55.740 22.666 37.309 1.00 0.00 H ATOM 1221 HE2 TYR A 88 56.879 21.579 39.224 1.00 0.00 H ATOM 1222 HE1 TYR A 88 59.965 24.569 39.059 1.00 0.00 H ATOM 1223 HD1 TYR A 88 58.815 25.657 37.177 1.00 0.00 H ATOM 1224 HH TYR A 88 58.569 22.403 41.109 1.00 0.00 H ATOM 1225 H TYR A 88 56.044 24.393 32.832 1.00 0.00 H ATOM 1226 N ASP A 89 58.618 22.590 34.396 1.00 14.08 N ATOM 1227 CA ASP A 89 58.863 21.162 34.150 1.00 14.04 C ATOM 1228 C ASP A 89 57.980 20.607 33.028 1.00 13.20 C ATOM 1229 O ASP A 89 57.317 19.562 33.184 1.00 13.52 O ATOM 1230 CB ASP A 89 58.672 20.343 35.436 1.00 14.62 C ATOM 1231 CG ASP A 89 59.380 18.991 35.384 1.00 17.31 C ATOM 1232 OD1 ASP A 89 60.482 18.904 34.791 1.00 20.33 O ATOM 1233 OD2 ASP A 89 58.854 18.012 35.955 1.00 19.61 O ATOM 1234 HA ASP A 89 59.899 21.071 33.825 1.00 0.00 H ATOM 1235 HB2 ASP A 89 59.070 20.913 36.275 1.00 0.00 H ATOM 1236 HB3 ASP A 89 57.606 20.173 35.587 1.00 0.00 H ATOM 1237 H ASP A 89 59.426 23.232 34.520 1.00 0.00 H ATOM 1238 N GLY A 90 57.987 21.320 31.906 1.00 12.44 N ATOM 1239 CA GLY A 90 57.065 21.054 30.806 1.00 12.64 C ATOM 1240 C GLY A 90 56.020 22.145 30.658 1.00 12.24 C ATOM 1241 O GLY A 90 56.147 23.248 31.220 1.00 13.41 O ATOM 1242 HA3 GLY A 90 56.560 20.106 30.992 1.00 0.00 H ATOM 1243 HA2 GLY A 90 57.634 20.985 29.879 1.00 0.00 H ATOM 1244 H GLY A 90 58.674 22.095 31.808 1.00 0.00 H ATOM 1245 N PHE A 91 54.976 21.820 29.900 1.00 11.46 N ATOM 1246 CA PHE A 91 53.904 22.759 29.603 1.00 11.99 C ATOM 1247 C PHE A 91 52.682 22.344 30.417 1.00 11.63 C ATOM 1248 O PHE A 91 52.223 21.208 30.316 1.00 11.99 O ATOM 1249 CB PHE A 91 53.594 22.772 28.099 1.00 12.63 C ATOM 1250 CG PHE A 91 52.405 23.599 27.743 1.00 14.04 C ATOM 1251 CD1 PHE A 91 52.465 24.987 27.848 1.00 15.40 C ATOM 1252 CD2 PHE A 91 51.223 23.002 27.326 1.00 15.09 C ATOM 1253 CE1 PHE A 91 51.349 25.778 27.538 1.00 15.17 C ATOM 1254 CE2 PHE A 91 50.101 23.775 27.021 1.00 14.19 C ATOM 1255 CZ PHE A 91 50.171 25.171 27.120 1.00 14.72 C ATOM 1256 HA PHE A 91 54.201 23.772 29.873 1.00 0.00 H ATOM 1257 HB2 PHE A 91 54.461 23.169 27.571 1.00 0.00 H ATOM 1258 HB3 PHE A 91 53.411 21.747 27.775 1.00 0.00 H ATOM 1259 HD2 PHE A 91 51.170 21.917 27.236 1.00 0.00 H ATOM 1260 HE2 PHE A 91 49.174 23.294 26.707 1.00 0.00 H ATOM 1261 HZ PHE A 91 49.302 25.780 26.869 1.00 0.00 H ATOM 1262 HE1 PHE A 91 51.405 26.863 27.625 1.00 0.00 H ATOM 1263 HD1 PHE A 91 53.389 25.463 28.175 1.00 0.00 H ATOM 1264 H PHE A 91 54.924 20.859 29.505 1.00 0.00 H ATOM 1265 N ASN A 92 52.142 23.289 31.190 1.00 11.17 N ATOM 1266 CA ASN A 92 51.000 22.994 32.069 1.00 11.57 C ATOM 1267 C ASN A 92 49.788 23.828 31.719 1.00 11.32 C ATOM 1268 O ASN A 92 49.919 25.004 31.407 1.00 11.83 O ATOM 1269 CB ASN A 92 51.376 23.294 33.510 1.00 11.17 C ATOM 1270 CG ASN A 92 52.611 22.551 33.937 1.00 11.39 C ATOM 1271 OD1 ASN A 92 52.566 21.358 34.230 1.00 11.16 O ATOM 1272 ND2 ASN A 92 53.743 23.257 33.945 1.00 11.43 N ATOM 1273 HA ASN A 92 50.753 21.941 31.936 1.00 0.00 H ATOM 1274 HB2 ASN A 92 51.556 24.364 33.611 1.00 0.00 H ATOM 1275 HB3 ASN A 92 50.549 23.003 34.158 1.00 0.00 H ATOM 1276 HD22 ASN A 92 53.729 24.265 33.689 1.00 0.00 H ATOM 1277 HD21 ASN A 92 54.639 22.799 34.207 1.00 0.00 H ATOM 1278 H ASN A 92 52.536 24.251 31.170 1.00 0.00 H ATOM 1279 N THR A 93 48.608 23.209 31.782 1.00 11.25 N ATOM 1280 CA THR A 93 47.366 23.980 31.755 1.00 12.42 C ATOM 1281 C THR A 93 46.547 23.588 32.970 1.00 11.76 C ATOM 1282 O THR A 93 46.537 22.423 33.360 1.00 12.45 O ATOM 1283 CB THR A 93 46.514 23.721 30.501 1.00 13.40 C ATOM 1284 OG1 THR A 93 46.189 22.334 30.425 1.00 17.29 O ATOM 1285 CG2 THR A 93 47.272 24.154 29.244 1.00 15.18 C ATOM 1286 HA THR A 93 47.637 25.036 31.750 1.00 0.00 H ATOM 1287 HB THR A 93 45.595 24.304 30.567 1.00 0.00 H ATOM 1288 HG1 THR A 93 45.679 22.071 31.232 1.00 0.00 H ATOM 1289 HG23 THR A 93 47.514 25.214 29.314 1.00 0.00 H ATOM 1290 HG21 THR A 93 48.191 23.575 29.158 1.00 0.00 H ATOM 1291 HG22 THR A 93 46.648 23.980 28.367 1.00 0.00 H ATOM 1292 H THR A 93 48.571 22.172 31.851 1.00 0.00 H ATOM 1293 N PHE A 94 45.856 24.550 33.570 1.00 10.89 N ATOM 1294 CA PHE A 94 45.028 24.198 34.720 1.00 10.75 C ATOM 1295 C PHE A 94 43.747 24.995 34.791 1.00 10.53 C ATOM 1296 O PHE A 94 43.639 26.091 34.230 1.00 10.13 O ATOM 1297 CB PHE A 94 45.801 24.295 36.052 1.00 10.98 C ATOM 1298 CG PHE A 94 46.207 25.691 36.439 1.00 11.93 C ATOM 1299 CD1 PHE A 94 47.456 26.189 36.072 1.00 12.33 C ATOM 1300 CD2 PHE A 94 45.354 26.498 37.181 1.00 12.35 C ATOM 1301 CE1 PHE A 94 47.853 27.473 36.443 1.00 12.77 C ATOM 1302 CE2 PHE A 94 45.740 27.798 37.554 1.00 11.96 C ATOM 1303 CZ PHE A 94 46.982 28.273 37.187 1.00 12.25 C ATOM 1304 HA PHE A 94 44.752 23.155 34.566 1.00 0.00 H ATOM 1305 HB2 PHE A 94 45.168 23.893 36.843 1.00 0.00 H ATOM 1306 HB3 PHE A 94 46.703 23.689 35.967 1.00 0.00 H ATOM 1307 HD2 PHE A 94 44.376 26.120 37.477 1.00 0.00 H ATOM 1308 HE2 PHE A 94 45.061 28.427 38.130 1.00 0.00 H ATOM 1309 HZ PHE A 94 47.286 29.278 37.479 1.00 0.00 H ATOM 1310 HE1 PHE A 94 48.835 27.850 36.155 1.00 0.00 H ATOM 1311 HD1 PHE A 94 48.132 25.566 35.487 1.00 0.00 H ATOM 1312 H PHE A 94 45.903 25.531 33.229 1.00 0.00 H ATOM 1313 N THR A 95 42.782 24.421 35.507 1.00 10.48 N ATOM 1314 CA THR A 95 41.570 25.121 35.874 1.00 10.70 C ATOM 1315 C THR A 95 41.343 24.940 37.372 1.00 10.88 C ATOM 1316 O THR A 95 42.093 24.215 38.053 1.00 9.78 O ATOM 1317 CB THR A 95 40.358 24.540 35.162 1.00 11.79 C ATOM 1318 OG1 THR A 95 40.232 23.167 35.523 1.00 13.25 O ATOM 1319 CG2 THR A 95 40.510 24.651 33.627 1.00 12.98 C ATOM 1320 HA THR A 95 41.685 26.169 35.597 1.00 0.00 H ATOM 1321 HB THR A 95 39.472 25.100 35.460 1.00 0.00 H ATOM 1322 HG1 THR A 95 41.049 22.679 35.251 1.00 0.00 H ATOM 1323 HG23 THR A 95 40.607 25.700 33.348 1.00 0.00 H ATOM 1324 HG21 THR A 95 41.400 24.106 33.311 1.00 0.00 H ATOM 1325 HG22 THR A 95 39.631 24.225 33.144 1.00 0.00 H ATOM 1326 H THR A 95 42.904 23.435 35.813 1.00 0.00 H ATOM 1327 N ILE A 96 40.294 25.592 37.862 1.00 11.29 N ATOM 1328 CA ILE A 96 39.885 25.463 39.256 1.00 11.31 C ATOM 1329 C ILE A 96 38.453 24.906 39.266 1.00 11.40 C ATOM 1330 O ILE A 96 37.498 25.657 39.207 1.00 11.66 O ATOM 1331 CB ILE A 96 39.968 26.838 39.962 1.00 11.55 C ATOM 1332 CG1 ILE A 96 41.419 27.336 39.962 1.00 12.91 C ATOM 1333 CG2 ILE A 96 39.363 26.758 41.376 1.00 11.77 C ATOM 1334 CD1 ILE A 96 41.565 28.811 40.264 1.00 15.86 C ATOM 1335 HA ILE A 96 40.544 24.786 39.800 1.00 0.00 H ATOM 1336 HB ILE A 96 39.375 27.569 39.413 1.00 0.00 H ATOM 1337 HG12 ILE A 96 41.974 26.776 40.715 1.00 0.00 H ATOM 1338 HG13 ILE A 96 41.847 27.144 38.978 1.00 0.00 H ATOM 1339 HD11 ILE A 96 41.026 29.389 39.513 1.00 0.00 H ATOM 1340 HD12 ILE A 96 41.153 29.021 41.251 1.00 0.00 H ATOM 1341 HD13 ILE A 96 42.621 29.082 40.245 1.00 0.00 H ATOM 1342 HG21 ILE A 96 38.317 26.459 41.306 1.00 0.00 H ATOM 1343 HG22 ILE A 96 39.914 26.024 41.964 1.00 0.00 H ATOM 1344 HG23 ILE A 96 39.431 27.735 41.855 1.00 0.00 H ATOM 1345 H ILE A 96 39.748 26.214 37.232 1.00 0.00 H ATOM 1346 N PRO A 97 38.311 23.578 39.288 1.00 11.17 N ATOM 1347 CA PRO A 97 36.970 22.980 39.257 1.00 11.44 C ATOM 1348 C PRO A 97 36.052 23.362 40.418 1.00 11.73 C ATOM 1349 O PRO A 97 34.828 23.315 40.261 1.00 12.35 O ATOM 1350 CB PRO A 97 37.239 21.470 39.261 1.00 11.98 C ATOM 1351 CG PRO A 97 38.682 21.298 39.590 1.00 12.56 C ATOM 1352 CD PRO A 97 39.381 22.566 39.258 1.00 11.46 C ATOM 1353 HA PRO A 97 36.427 23.344 38.385 1.00 0.00 H ATOM 1354 HD3 PRO A 97 40.149 22.791 39.998 1.00 0.00 H ATOM 1355 HD2 PRO A 97 39.836 22.511 38.269 1.00 0.00 H ATOM 1356 HG3 PRO A 97 39.101 20.480 39.004 1.00 0.00 H ATOM 1357 HG2 PRO A 97 38.796 21.079 40.652 1.00 0.00 H ATOM 1358 HB2 PRO A 97 36.620 20.979 40.012 1.00 0.00 H ATOM 1359 HB3 PRO A 97 37.023 21.046 38.280 1.00 0.00 H ATOM 1360 N LYS A 98 36.623 23.698 41.572 1.00 12.04 N ATOM 1361 CA LYS A 98 35.782 24.062 42.723 1.00 12.05 C ATOM 1362 C LYS A 98 36.546 24.890 43.744 1.00 11.50 C ATOM 1363 O LYS A 98 37.647 24.528 44.160 1.00 11.69 O ATOM 1364 CB LYS A 98 35.213 22.809 43.405 1.00 12.61 C ATOM 1365 CG LYS A 98 34.019 23.077 44.348 1.00 16.40 C ATOM 1366 CD LYS A 98 32.788 23.635 43.606 1.00 22.36 C ATOM 1367 CE LYS A 98 32.062 22.544 42.818 1.00 24.49 C ATOM 1368 NZ LYS A 98 30.744 22.990 42.284 1.00 27.36 N ATOM 1369 HA LYS A 98 34.962 24.666 42.335 1.00 0.00 H ATOM 1370 HB2 LYS A 98 34.885 22.118 42.628 1.00 0.00 H ATOM 1371 HB3 LYS A 98 36.010 22.347 43.988 1.00 0.00 H ATOM 1372 HG2 LYS A 98 33.740 22.141 44.832 1.00 0.00 H ATOM 1373 HG3 LYS A 98 34.327 23.799 45.105 1.00 0.00 H ATOM 1374 HD2 LYS A 98 32.099 24.063 44.335 1.00 0.00 H ATOM 1375 HD3 LYS A 98 33.114 24.413 42.915 1.00 0.00 H ATOM 1376 HE2 LYS A 98 31.900 21.690 43.476 1.00 0.00 H ATOM 1377 HE3 LYS A 98 32.692 22.242 41.981 1.00 0.00 H ATOM 1378 HZ1 LYS A 98 30.129 23.272 43.074 1.00 0.00 H ATOM 1379 HZ2 LYS A 98 30.886 23.800 41.647 1.00 0.00 H ATOM 1380 HZ3 LYS A 98 30.301 22.208 41.760 1.00 0.00 H ATOM 1381 H LYS A 98 37.659 23.703 41.660 1.00 0.00 H ATOM 1382 N THR A 99 35.947 26.014 44.130 1.00 11.19 N ATOM 1383 CA THR A 99 36.456 26.823 45.242 1.00 10.66 C ATOM 1384 C THR A 99 35.270 27.471 45.941 1.00 10.86 C ATOM 1385 O THR A 99 34.257 27.745 45.295 1.00 11.38 O ATOM 1386 CB THR A 99 37.430 27.936 44.768 1.00 10.91 C ATOM 1387 OG1 THR A 99 37.898 28.687 45.904 1.00 9.74 O ATOM 1388 CG2 THR A 99 36.743 28.890 43.780 1.00 11.23 C ATOM 1389 HA THR A 99 37.011 26.167 45.913 1.00 0.00 H ATOM 1390 HB THR A 99 38.270 27.459 44.263 1.00 0.00 H ATOM 1391 HG1 THR A 99 38.370 28.080 46.527 1.00 0.00 H ATOM 1392 HG23 THR A 99 36.387 28.325 42.919 1.00 0.00 H ATOM 1393 HG21 THR A 99 35.899 29.374 44.272 1.00 0.00 H ATOM 1394 HG22 THR A 99 37.456 29.646 43.451 1.00 0.00 H ATOM 1395 H THR A 99 35.092 26.328 43.628 1.00 0.00 H ATOM 1396 N ASP A 100 35.410 27.727 47.240 1.00 10.86 N ATOM 1397 CA ASP A 100 34.449 28.563 47.956 1.00 11.06 C ATOM 1398 C ASP A 100 35.076 29.914 48.325 1.00 11.20 C ATOM 1399 O ASP A 100 34.495 30.672 49.108 1.00 12.21 O ATOM 1400 CB ASP A 100 33.889 27.843 49.190 1.00 11.26 C ATOM 1401 CG ASP A 100 34.881 27.744 50.329 1.00 12.41 C ATOM 1402 OD1 ASP A 100 36.091 27.978 50.120 1.00 11.49 O ATOM 1403 OD2 ASP A 100 34.431 27.425 51.462 1.00 14.95 O ATOM 1404 HA ASP A 100 33.608 28.756 47.291 1.00 0.00 H ATOM 1405 HB2 ASP A 100 33.013 28.388 49.541 1.00 0.00 H ATOM 1406 HB3 ASP A 100 33.595 26.835 48.899 1.00 0.00 H ATOM 1407 H ASP A 100 36.219 27.324 47.755 1.00 0.00 H ATOM 1408 N TYR A 101 36.243 30.193 47.743 1.00 11.62 N ATOM 1409 CA TYR A 101 37.009 31.431 47.927 1.00 11.92 C ATOM 1410 C TYR A 101 37.570 31.660 49.331 1.00 11.94 C ATOM 1411 O TYR A 101 38.682 32.169 49.472 1.00 12.58 O ATOM 1412 CB TYR A 101 36.184 32.664 47.539 1.00 12.24 C ATOM 1413 CG TYR A 101 35.589 32.656 46.156 1.00 13.81 C ATOM 1414 CD1 TYR A 101 36.399 32.721 45.018 1.00 14.71 C ATOM 1415 CD2 TYR A 101 34.204 32.624 45.979 1.00 15.02 C ATOM 1416 CE1 TYR A 101 35.848 32.727 43.739 1.00 15.22 C ATOM 1417 CE2 TYR A 101 33.648 32.634 44.704 1.00 17.33 C ATOM 1418 CZ TYR A 101 34.479 32.679 43.593 1.00 15.71 C ATOM 1419 OH TYR A 101 33.932 32.696 42.329 1.00 16.47 O ATOM 1420 HA TYR A 101 37.862 31.295 47.263 1.00 0.00 H ATOM 1421 HB3 TYR A 101 36.832 33.537 47.618 1.00 0.00 H ATOM 1422 HB2 TYR A 101 35.366 32.755 48.253 1.00 0.00 H ATOM 1423 HD2 TYR A 101 33.551 32.591 46.851 1.00 0.00 H ATOM 1424 HE2 TYR A 101 32.566 32.607 44.578 1.00 0.00 H ATOM 1425 HE1 TYR A 101 36.494 32.769 42.862 1.00 0.00 H ATOM 1426 HD1 TYR A 101 37.482 32.768 45.134 1.00 0.00 H ATOM 1427 HH TYR A 101 33.355 33.494 42.231 1.00 0.00 H ATOM 1428 H TYR A 101 36.643 29.474 47.107 1.00 0.00 H ATOM 1429 N ASP A 102 36.778 31.309 50.345 1.00 11.84 N ATOM 1430 CA ASP A 102 37.066 31.654 51.738 1.00 12.14 C ATOM 1431 C ASP A 102 37.719 30.560 52.545 1.00 11.90 C ATOM 1432 O ASP A 102 38.263 30.826 53.624 1.00 12.21 O ATOM 1433 CB ASP A 102 35.781 32.037 52.473 1.00 12.76 C ATOM 1434 CG ASP A 102 35.148 33.283 51.943 1.00 15.61 C ATOM 1435 OD1 ASP A 102 35.894 34.198 51.514 1.00 16.95 O ATOM 1436 OD2 ASP A 102 33.895 33.341 52.005 1.00 19.60 O ATOM 1437 HA ASP A 102 37.770 32.482 51.663 1.00 0.00 H ATOM 1438 HB2 ASP A 102 35.069 31.218 52.376 1.00 0.00 H ATOM 1439 HB3 ASP A 102 36.016 32.189 53.526 1.00 0.00 H ATOM 1440 H ASP A 102 35.916 30.765 50.136 1.00 0.00 H ATOM 1441 N ASN A 103 37.636 29.323 52.059 1.00 10.49 N ATOM 1442 CA ASN A 103 38.255 28.189 52.759 1.00 9.97 C ATOM 1443 C ASN A 103 39.168 27.383 51.862 1.00 9.44 C ATOM 1444 O ASN A 103 40.321 27.128 52.217 1.00 9.66 O ATOM 1445 CB ASN A 103 37.194 27.211 53.300 1.00 11.17 C ATOM 1446 CG ASN A 103 36.426 27.766 54.481 1.00 13.05 C ATOM 1447 OD1 ASN A 103 36.956 27.899 55.594 1.00 15.46 O ATOM 1448 ND2 ASN A 103 35.149 28.050 54.257 1.00 16.20 N ATOM 1449 HA ASN A 103 38.827 28.637 53.571 1.00 0.00 H ATOM 1450 HB2 ASN A 103 36.488 26.987 52.500 1.00 0.00 H ATOM 1451 HB3 ASN A 103 37.693 26.293 53.610 1.00 0.00 H ATOM 1452 HD22 ASN A 103 34.747 27.923 53.306 1.00 0.00 H ATOM 1453 HD21 ASN A 103 34.550 28.400 55.032 1.00 0.00 H ATOM 1454 H ASN A 103 37.124 29.157 51.169 1.00 0.00 H ATOM 1455 N PHE A 104 38.618 26.924 50.733 1.00 9.31 N ATOM 1456 CA PHE A 104 39.362 25.958 49.922 1.00 9.66 C ATOM 1457 C PHE A 104 39.389 26.302 48.449 1.00 9.46 C ATOM 1458 O PHE A 104 38.519 27.014 47.954 1.00 9.16 O ATOM 1459 CB PHE A 104 38.783 24.541 50.089 1.00 9.80 C ATOM 1460 CG PHE A 104 37.452 24.329 49.413 1.00 9.44 C ATOM 1461 CD1 PHE A 104 37.402 23.963 48.077 1.00 10.63 C ATOM 1462 CD2 PHE A 104 36.260 24.497 50.110 1.00 12.00 C ATOM 1463 CE1 PHE A 104 36.201 23.762 47.442 1.00 11.86 C ATOM 1464 CE2 PHE A 104 35.050 24.291 49.477 1.00 12.02 C ATOM 1465 CZ PHE A 104 35.025 23.926 48.135 1.00 11.95 C ATOM 1466 HA PHE A 104 40.387 25.997 50.290 1.00 0.00 H ATOM 1467 HB2 PHE A 104 39.495 23.830 49.671 1.00 0.00 H ATOM 1468 HB3 PHE A 104 38.660 24.346 51.154 1.00 0.00 H ATOM 1469 HD2 PHE A 104 36.281 24.792 51.159 1.00 0.00 H ATOM 1470 HE2 PHE A 104 34.117 24.414 50.027 1.00 0.00 H ATOM 1471 HZ PHE A 104 34.071 23.770 47.632 1.00 0.00 H ATOM 1472 HE1 PHE A 104 36.180 23.473 46.391 1.00 0.00 H ATOM 1473 HD1 PHE A 104 38.331 23.833 47.522 1.00 0.00 H ATOM 1474 H PHE A 104 37.676 27.248 50.435 1.00 0.00 H ATOM 1475 N LEU A 105 40.367 25.719 47.754 1.00 9.09 N ATOM 1476 CA LEU A 105 40.528 25.886 46.323 1.00 9.83 C ATOM 1477 C LEU A 105 40.993 24.542 45.802 1.00 9.54 C ATOM 1478 O LEU A 105 41.944 23.977 46.337 1.00 9.20 O ATOM 1479 CB LEU A 105 41.580 26.946 46.027 1.00 9.87 C ATOM 1480 CG LEU A 105 41.678 27.379 44.554 1.00 12.18 C ATOM 1481 CD1 LEU A 105 42.023 28.835 44.441 1.00 14.56 C ATOM 1482 CD2 LEU A 105 42.688 26.526 43.794 1.00 13.55 C ATOM 1483 HA LEU A 105 39.599 26.207 45.853 1.00 0.00 H ATOM 1484 HB2 LEU A 105 41.347 27.828 46.623 1.00 0.00 H ATOM 1485 HB3 LEU A 105 42.550 26.551 46.328 1.00 0.00 H ATOM 1486 HG LEU A 105 40.699 27.226 44.100 1.00 0.00 H ATOM 1487 HD21 LEU A 105 43.670 26.632 44.254 1.00 0.00 H ATOM 1488 HD22 LEU A 105 42.379 25.481 43.830 1.00 0.00 H ATOM 1489 HD23 LEU A 105 42.734 26.857 42.757 1.00 0.00 H ATOM 1490 HD11 LEU A 105 41.250 29.429 44.929 1.00 0.00 H ATOM 1491 HD12 LEU A 105 42.983 29.018 44.924 1.00 0.00 H ATOM 1492 HD13 LEU A 105 42.085 29.112 43.389 1.00 0.00 H ATOM 1493 H LEU A 105 41.046 25.117 48.262 1.00 0.00 H ATOM 1494 N MET A 106 40.261 23.984 44.835 1.00 9.19 N ATOM 1495 CA MET A 106 40.686 22.727 44.194 1.00 10.07 C ATOM 1496 C MET A 106 41.097 23.007 42.763 1.00 9.76 C ATOM 1497 O MET A 106 40.320 23.609 42.020 1.00 10.40 O ATOM 1498 CB MET A 106 39.546 21.716 44.213 1.00 9.57 C ATOM 1499 CG MET A 106 39.048 21.414 45.621 1.00 10.55 C ATOM 1500 SD MET A 106 37.769 20.139 45.660 1.00 12.85 S ATOM 1501 CE MET A 106 37.231 20.161 47.388 1.00 13.81 C ATOM 1502 HA MET A 106 41.532 22.313 44.743 1.00 0.00 H ATOM 1503 HB2 MET A 106 38.717 22.114 43.628 1.00 0.00 H ATOM 1504 HB3 MET A 106 39.895 20.788 43.760 1.00 0.00 H ATOM 1505 HG2 MET A 106 38.639 22.329 46.049 1.00 0.00 H ATOM 1506 HG3 MET A 106 39.892 21.078 46.224 1.00 0.00 H ATOM 1507 HE1 MET A 106 38.078 19.928 48.034 1.00 0.00 H ATOM 1508 HE2 MET A 106 36.846 21.150 47.635 1.00 0.00 H ATOM 1509 HE3 MET A 106 36.446 19.418 47.532 1.00 0.00 H ATOM 1510 H MET A 106 39.379 24.443 44.530 1.00 0.00 H ATOM 1511 N ALA A 107 42.305 22.578 42.395 1.00 8.65 N ATOM 1512 CA ALA A 107 42.850 22.851 41.066 1.00 8.80 C ATOM 1513 C ALA A 107 43.085 21.534 40.347 1.00 8.47 C ATOM 1514 O ALA A 107 43.439 20.551 40.976 1.00 9.23 O ATOM 1515 CB ALA A 107 44.172 23.638 41.135 1.00 9.23 C ATOM 1516 HA ALA A 107 42.128 23.463 40.525 1.00 0.00 H ATOM 1517 HB1 ALA A 107 44.000 24.591 41.635 1.00 0.00 H ATOM 1518 HB2 ALA A 107 44.909 23.060 41.693 1.00 0.00 H ATOM 1519 HB3 ALA A 107 44.540 23.818 40.125 1.00 0.00 H ATOM 1520 H ALA A 107 42.876 22.034 43.073 1.00 0.00 H ATOM 1521 N HIS A 108 42.883 21.553 39.028 1.00 8.45 N ATOM 1522 CA HIS A 108 43.185 20.414 38.173 1.00 9.05 C ATOM 1523 C HIS A 108 44.162 20.863 37.085 1.00 8.90 C ATOM 1524 O HIS A 108 43.878 21.810 36.349 1.00 9.58 O ATOM 1525 CB HIS A 108 41.919 19.858 37.544 1.00 9.50 C ATOM 1526 CG HIS A 108 42.180 18.711 36.623 1.00 11.64 C ATOM 1527 ND1 HIS A 108 42.284 18.858 35.253 1.00 16.22 N ATOM 1528 CD2 HIS A 108 42.396 17.400 36.877 1.00 12.41 C ATOM 1529 CE1 HIS A 108 42.534 17.677 34.708 1.00 14.48 C ATOM 1530 NE2 HIS A 108 42.593 16.772 35.669 1.00 12.18 N ATOM 1531 HA HIS A 108 43.634 19.622 38.773 1.00 0.00 H ATOM 1532 HB2 HIS A 108 41.255 19.521 38.340 1.00 0.00 H ATOM 1533 HB3 HIS A 108 41.433 20.654 36.979 1.00 0.00 H ATOM 1534 HD2 HIS A 108 42.411 16.928 37.859 1.00 0.00 H ATOM 1535 HE1 HIS A 108 42.669 17.484 33.644 1.00 0.00 H ATOM 1536 H HIS A 108 42.495 22.415 38.594 1.00 0.00 H ATOM 1537 N LEU A 109 45.297 20.177 36.996 1.00 8.59 N ATOM 1538 CA LEU A 109 46.359 20.559 36.090 1.00 8.59 C ATOM 1539 C LEU A 109 46.761 19.382 35.201 1.00 8.97 C ATOM 1540 O LEU A 109 46.801 18.241 35.651 1.00 9.18 O ATOM 1541 CB LEU A 109 47.561 21.042 36.905 1.00 9.05 C ATOM 1542 CG LEU A 109 48.858 21.455 36.183 1.00 9.28 C ATOM 1543 CD1 LEU A 109 49.588 22.558 36.942 1.00 11.32 C ATOM 1544 CD2 LEU A 109 49.770 20.234 35.985 1.00 11.19 C ATOM 1545 HA LEU A 109 46.007 21.363 35.444 1.00 0.00 H ATOM 1546 HB2 LEU A 109 47.228 21.908 37.477 1.00 0.00 H ATOM 1547 HB3 LEU A 109 47.823 20.235 37.590 1.00 0.00 H ATOM 1548 HG LEU A 109 48.589 21.852 35.204 1.00 0.00 H ATOM 1549 HD21 LEU A 109 50.023 19.809 36.957 1.00 0.00 H ATOM 1550 HD22 LEU A 109 49.250 19.487 35.385 1.00 0.00 H ATOM 1551 HD23 LEU A 109 50.682 20.542 35.474 1.00 0.00 H ATOM 1552 HD11 LEU A 109 48.941 23.432 37.021 1.00 0.00 H ATOM 1553 HD12 LEU A 109 49.844 22.202 37.940 1.00 0.00 H ATOM 1554 HD13 LEU A 109 50.498 22.825 36.405 1.00 0.00 H ATOM 1555 H LEU A 109 45.426 19.338 37.597 1.00 0.00 H ATOM 1556 N ILE A 110 47.035 19.694 33.938 1.00 8.36 N ATOM 1557 CA ILE A 110 47.591 18.712 32.995 1.00 7.82 C ATOM 1558 C ILE A 110 48.998 19.177 32.638 1.00 8.26 C ATOM 1559 O ILE A 110 49.186 20.308 32.192 1.00 8.55 O ATOM 1560 CB ILE A 110 46.763 18.633 31.711 1.00 8.05 C ATOM 1561 CG1 ILE A 110 45.367 18.104 32.004 1.00 9.41 C ATOM 1562 CG2 ILE A 110 47.410 17.728 30.682 1.00 8.70 C ATOM 1563 CD1 ILE A 110 45.340 16.690 32.612 1.00 10.23 C ATOM 1564 HA ILE A 110 47.587 17.725 33.458 1.00 0.00 H ATOM 1565 HB ILE A 110 46.706 19.645 31.311 1.00 0.00 H ATOM 1566 HG12 ILE A 110 44.883 18.786 32.703 1.00 0.00 H ATOM 1567 HG13 ILE A 110 44.806 18.085 31.070 1.00 0.00 H ATOM 1568 HD11 ILE A 110 45.808 15.990 31.921 1.00 0.00 H ATOM 1569 HD12 ILE A 110 45.886 16.691 33.556 1.00 0.00 H ATOM 1570 HD13 ILE A 110 44.307 16.392 32.789 1.00 0.00 H ATOM 1571 HG21 ILE A 110 48.398 18.114 30.431 1.00 0.00 H ATOM 1572 HG22 ILE A 110 47.505 16.723 31.092 1.00 0.00 H ATOM 1573 HG23 ILE A 110 46.791 17.699 29.785 1.00 0.00 H ATOM 1574 H ILE A 110 46.850 20.662 33.607 1.00 0.00 H ATOM 1575 N ASN A 111 49.966 18.277 32.820 1.00 8.95 N ATOM 1576 CA ASN A 111 51.350 18.560 32.457 1.00 9.61 C ATOM 1577 C ASN A 111 51.681 17.766 31.199 1.00 9.88 C ATOM 1578 O ASN A 111 51.253 16.622 31.055 1.00 10.78 O ATOM 1579 CB ASN A 111 52.292 18.115 33.582 1.00 9.88 C ATOM 1580 CG ASN A 111 53.746 18.227 33.198 1.00 11.24 C ATOM 1581 OD1 ASN A 111 54.360 17.230 32.791 1.00 11.83 O ATOM 1582 ND2 ASN A 111 54.312 19.421 33.333 1.00 10.42 N ATOM 1583 HA ASN A 111 51.475 19.630 32.290 1.00 0.00 H ATOM 1584 HB2 ASN A 111 52.112 18.740 34.456 1.00 0.00 H ATOM 1585 HB3 ASN A 111 52.075 17.076 33.829 1.00 0.00 H ATOM 1586 HD22 ASN A 111 53.752 20.226 33.679 1.00 0.00 H ATOM 1587 HD21 ASN A 111 55.315 19.551 33.093 1.00 0.00 H ATOM 1588 H ASN A 111 49.728 17.352 33.231 1.00 0.00 H ATOM 1589 N GLU A 112 52.441 18.399 30.304 1.00 10.01 N ATOM 1590 CA GLU A 112 52.984 17.731 29.110 1.00 10.09 C ATOM 1591 C GLU A 112 54.481 17.956 29.082 1.00 10.01 C ATOM 1592 O GLU A 112 54.940 19.094 29.080 1.00 9.53 O ATOM 1593 CB GLU A 112 52.339 18.298 27.851 1.00 10.93 C ATOM 1594 CG GLU A 112 50.921 17.767 27.769 1.00 13.07 C ATOM 1595 CD GLU A 112 49.960 18.517 26.875 1.00 16.70 C ATOM 1596 OE1 GLU A 112 50.381 19.435 26.152 1.00 16.92 O ATOM 1597 OE2 GLU A 112 48.754 18.174 26.921 1.00 20.56 O ATOM 1598 HA GLU A 112 52.769 16.663 29.147 1.00 0.00 H ATOM 1599 HB2 GLU A 112 52.324 19.387 27.901 1.00 0.00 H ATOM 1600 HB3 GLU A 112 52.903 17.984 26.973 1.00 0.00 H ATOM 1601 HG2 GLU A 112 50.974 16.740 27.408 1.00 0.00 H ATOM 1602 HG3 GLU A 112 50.507 17.775 28.777 1.00 0.00 H ATOM 1603 H GLU A 112 52.659 19.405 30.456 1.00 0.00 H ATOM 1604 N LYS A 113 55.223 16.854 29.111 1.00 10.73 N ATOM 1605 CA LYS A 113 56.676 16.929 29.081 1.00 11.75 C ATOM 1606 C LYS A 113 57.207 15.751 28.289 1.00 11.56 C ATOM 1607 O LYS A 113 56.766 14.623 28.480 1.00 11.16 O ATOM 1608 CB LYS A 113 57.255 16.924 30.498 1.00 12.33 C ATOM 1609 CG LYS A 113 58.754 17.203 30.554 1.00 14.11 C ATOM 1610 CD LYS A 113 59.304 16.956 31.956 1.00 17.88 C ATOM 1611 CE LYS A 113 60.797 16.761 31.948 1.00 22.00 C ATOM 1612 NZ LYS A 113 61.261 16.440 33.324 1.00 24.09 N ATOM 1613 HA LYS A 113 56.979 17.862 28.606 1.00 0.00 H ATOM 1614 HB2 LYS A 113 56.741 17.688 31.082 1.00 0.00 H ATOM 1615 HB3 LYS A 113 57.071 15.945 30.941 1.00 0.00 H ATOM 1616 HG2 LYS A 113 59.266 16.547 29.849 1.00 0.00 H ATOM 1617 HG3 LYS A 113 58.934 18.242 30.278 1.00 0.00 H ATOM 1618 HD2 LYS A 113 59.064 17.813 32.585 1.00 0.00 H ATOM 1619 HD3 LYS A 113 58.834 16.062 32.367 1.00 0.00 H ATOM 1620 HE2 LYS A 113 61.282 17.675 31.605 1.00 0.00 H ATOM 1621 HE3 LYS A 113 61.053 15.941 31.277 1.00 0.00 H ATOM 1622 HZ1 LYS A 113 61.016 17.223 33.963 1.00 0.00 H ATOM 1623 HZ2 LYS A 113 60.798 15.568 33.650 1.00 0.00 H ATOM 1624 HZ3 LYS A 113 62.292 16.305 33.318 1.00 0.00 H ATOM 1625 H LYS A 113 54.759 15.925 29.156 1.00 0.00 H ATOM 1626 N ASP A 114 58.123 16.037 27.363 1.00 11.71 N ATOM 1627 CA ASP A 114 58.821 14.979 26.603 1.00 12.17 C ATOM 1628 C ASP A 114 57.839 14.036 25.891 1.00 12.16 C ATOM 1629 O ASP A 114 58.087 12.832 25.774 1.00 11.92 O ATOM 1630 CB ASP A 114 59.765 14.189 27.523 1.00 13.21 C ATOM 1631 CG ASP A 114 60.912 15.039 28.061 1.00 14.25 C ATOM 1632 OD1 ASP A 114 61.361 14.777 29.196 1.00 19.59 O ATOM 1633 OD2 ASP A 114 61.342 15.975 27.364 1.00 17.73 O ATOM 1634 HA ASP A 114 59.413 15.469 25.830 1.00 0.00 H ATOM 1635 HB2 ASP A 114 59.190 13.805 28.366 1.00 0.00 H ATOM 1636 HB3 ASP A 114 60.183 13.355 26.960 1.00 0.00 H ATOM 1637 H ASP A 114 58.353 17.033 27.170 1.00 0.00 H ATOM 1638 N GLY A 115 56.714 14.595 25.447 1.00 11.44 N ATOM 1639 CA GLY A 115 55.723 13.834 24.693 1.00 12.19 C ATOM 1640 C GLY A 115 54.756 13.028 25.545 1.00 11.41 C ATOM 1641 O GLY A 115 53.887 12.338 25.005 1.00 12.84 O ATOM 1642 HA3 GLY A 115 56.253 13.144 24.036 1.00 0.00 H ATOM 1643 HA2 GLY A 115 55.143 14.534 24.091 1.00 0.00 H ATOM 1644 H GLY A 115 56.537 15.601 25.643 1.00 0.00 H ATOM 1645 N GLU A 116 54.904 13.131 26.870 1.00 12.26 N ATOM 1646 CA GLU A 116 54.050 12.406 27.817 1.00 12.64 C ATOM 1647 C GLU A 116 53.083 13.362 28.515 1.00 12.28 C ATOM 1648 O GLU A 116 53.084 14.568 28.250 1.00 13.08 O ATOM 1649 CB GLU A 116 54.902 11.678 28.868 1.00 14.50 C ATOM 1650 CG GLU A 116 55.952 10.751 28.275 1.00 18.16 C ATOM 1651 CD GLU A 116 56.419 9.677 29.241 1.00 25.27 C ATOM 1652 OE1 GLU A 116 56.556 9.962 30.456 1.00 27.21 O ATOM 1653 OE2 GLU A 116 56.670 8.539 28.776 1.00 28.57 O ATOM 1654 HA GLU A 116 53.476 11.671 27.253 1.00 0.00 H ATOM 1655 HB2 GLU A 116 55.409 12.426 29.477 1.00 0.00 H ATOM 1656 HB3 GLU A 116 54.238 11.087 29.499 1.00 0.00 H ATOM 1657 HG2 GLU A 116 55.528 10.266 27.396 1.00 0.00 H ATOM 1658 HG3 GLU A 116 56.814 11.349 27.979 1.00 0.00 H ATOM 1659 H GLU A 116 55.653 13.749 27.243 1.00 0.00 H ATOM 1660 N THR A 117 52.237 12.812 29.379 1.00 11.11 N ATOM 1661 CA THR A 117 51.307 13.668 30.128 1.00 11.12 C ATOM 1662 C THR A 117 51.030 13.064 31.488 1.00 10.46 C ATOM 1663 O THR A 117 51.225 11.869 31.685 1.00 11.53 O ATOM 1664 CB THR A 117 49.966 13.861 29.357 1.00 12.33 C ATOM 1665 OG1 THR A 117 49.202 14.927 29.942 1.00 12.73 O ATOM 1666 CG2 THR A 117 49.138 12.572 29.360 1.00 12.60 C ATOM 1667 HA THR A 117 51.774 14.645 30.249 1.00 0.00 H ATOM 1668 HB THR A 117 50.208 14.115 28.325 1.00 0.00 H ATOM 1669 HG1 THR A 117 48.355 15.037 29.442 1.00 0.00 H ATOM 1670 HG23 THR A 117 49.721 11.766 28.915 1.00 0.00 H ATOM 1671 HG21 THR A 117 48.878 12.311 30.386 1.00 0.00 H ATOM 1672 HG22 THR A 117 48.227 12.725 28.781 1.00 0.00 H ATOM 1673 H THR A 117 52.233 11.782 29.524 1.00 0.00 H ATOM 1674 N PHE A 118 50.599 13.906 32.432 1.00 9.52 N ATOM 1675 CA PHE A 118 49.981 13.383 33.650 1.00 8.98 C ATOM 1676 C PHE A 118 49.016 14.439 34.196 1.00 8.77 C ATOM 1677 O PHE A 118 49.084 15.621 33.820 1.00 8.95 O ATOM 1678 CB PHE A 118 51.024 12.952 34.700 1.00 9.46 C ATOM 1679 CG PHE A 118 51.696 14.090 35.425 1.00 10.95 C ATOM 1680 CD1 PHE A 118 51.176 14.562 36.620 1.00 13.19 C ATOM 1681 CD2 PHE A 118 52.868 14.668 34.932 1.00 12.69 C ATOM 1682 CE1 PHE A 118 51.772 15.607 37.313 1.00 14.27 C ATOM 1683 CE2 PHE A 118 53.472 15.730 35.634 1.00 13.61 C ATOM 1684 CZ PHE A 118 52.917 16.188 36.817 1.00 12.49 C ATOM 1685 HA PHE A 118 49.427 12.476 33.408 1.00 0.00 H ATOM 1686 HB2 PHE A 118 50.523 12.327 35.439 1.00 0.00 H ATOM 1687 HB3 PHE A 118 51.794 12.369 34.195 1.00 0.00 H ATOM 1688 HD2 PHE A 118 53.314 14.299 34.008 1.00 0.00 H ATOM 1689 HE2 PHE A 118 54.379 16.192 35.245 1.00 0.00 H ATOM 1690 HZ PHE A 118 53.388 17.010 37.356 1.00 0.00 H ATOM 1691 HE1 PHE A 118 51.335 15.966 38.245 1.00 0.00 H ATOM 1692 HD1 PHE A 118 50.276 14.101 37.026 1.00 0.00 H ATOM 1693 H PHE A 118 50.703 14.932 32.301 1.00 0.00 H ATOM 1694 N GLN A 119 48.126 13.982 35.076 1.00 8.77 N ATOM 1695 CA GLN A 119 47.198 14.854 35.804 1.00 9.11 C ATOM 1696 C GLN A 119 47.680 15.121 37.223 1.00 9.21 C ATOM 1697 O GLN A 119 48.086 14.187 37.914 1.00 9.59 O ATOM 1698 CB GLN A 119 45.846 14.189 35.970 1.00 9.71 C ATOM 1699 CG GLN A 119 45.140 13.757 34.740 1.00 10.25 C ATOM 1700 CD GLN A 119 43.812 13.145 35.112 1.00 12.50 C ATOM 1701 OE1 GLN A 119 43.719 11.939 35.395 1.00 15.02 O ATOM 1702 NE2 GLN A 119 42.786 13.976 35.164 1.00 11.07 N ATOM 1703 HA GLN A 119 47.137 15.772 35.220 1.00 0.00 H ATOM 1704 HB2 GLN A 119 45.991 13.305 36.591 1.00 0.00 H ATOM 1705 HB3 GLN A 119 45.197 14.894 36.489 1.00 0.00 H ATOM 1706 HG2 GLN A 119 44.975 14.619 34.093 1.00 0.00 H ATOM 1707 HG3 GLN A 119 45.745 13.020 34.213 1.00 0.00 H ATOM 1708 HE22 GLN A 119 42.915 14.978 34.917 1.00 0.00 H ATOM 1709 HE21 GLN A 119 41.849 13.628 35.452 1.00 0.00 H ATOM 1710 H GLN A 119 48.087 12.958 35.255 1.00 0.00 H ATOM 1711 N LEU A 120 47.613 16.389 37.638 1.00 8.70 N ATOM 1712 CA LEU A 120 47.868 16.805 39.020 1.00 9.17 C ATOM 1713 C LEU A 120 46.591 17.431 39.555 1.00 9.81 C ATOM 1714 O LEU A 120 45.955 18.242 38.875 1.00 10.65 O ATOM 1715 CB LEU A 120 48.957 17.867 39.051 1.00 10.46 C ATOM 1716 CG LEU A 120 49.357 18.463 40.402 1.00 10.55 C ATOM 1717 CD1 LEU A 120 50.092 17.466 41.311 1.00 14.27 C ATOM 1718 CD2 LEU A 120 50.230 19.695 40.107 1.00 13.65 C ATOM 1719 HA LEU A 120 48.179 15.945 39.614 1.00 0.00 H ATOM 1720 HB2 LEU A 120 49.853 17.423 38.617 1.00 0.00 H ATOM 1721 HB3 LEU A 120 48.621 18.691 38.422 1.00 0.00 H ATOM 1722 HG LEU A 120 48.458 18.735 40.956 1.00 0.00 H ATOM 1723 HD21 LEU A 120 51.111 19.388 39.544 1.00 0.00 H ATOM 1724 HD22 LEU A 120 49.656 20.414 39.522 1.00 0.00 H ATOM 1725 HD23 LEU A 120 50.539 20.153 41.047 1.00 0.00 H ATOM 1726 HD11 LEU A 120 49.446 16.610 41.507 1.00 0.00 H ATOM 1727 HD12 LEU A 120 51.003 17.129 40.817 1.00 0.00 H ATOM 1728 HD13 LEU A 120 50.346 17.954 42.252 1.00 0.00 H ATOM 1729 H LEU A 120 47.366 17.121 36.942 1.00 0.00 H ATOM 1730 N MET A 121 46.215 17.056 40.772 1.00 9.66 N ATOM 1731 CA MET A 121 45.127 17.739 41.452 1.00 11.62 C ATOM 1732 C MET A 121 45.646 18.294 42.761 1.00 9.93 C ATOM 1733 O MET A 121 46.478 17.671 43.405 1.00 10.38 O ATOM 1734 CB MET A 121 43.963 16.776 41.673 1.00 11.23 C ATOM 1735 CG MET A 121 43.599 16.054 40.395 1.00 15.65 C ATOM 1736 SD MET A 121 41.854 15.775 40.236 1.00 19.23 S ATOM 1737 CE MET A 121 41.452 17.540 40.319 1.00 14.06 C ATOM 1738 HA MET A 121 44.757 18.564 40.843 1.00 0.00 H ATOM 1739 HB2 MET A 121 44.247 16.042 42.428 1.00 0.00 H ATOM 1740 HB3 MET A 121 43.097 17.339 42.023 1.00 0.00 H ATOM 1741 HG2 MET A 121 44.109 15.091 40.382 1.00 0.00 H ATOM 1742 HG3 MET A 121 43.935 16.653 39.549 1.00 0.00 H ATOM 1743 HE1 MET A 121 41.800 17.946 41.269 1.00 0.00 H ATOM 1744 HE2 MET A 121 41.943 18.062 39.498 1.00 0.00 H ATOM 1745 HE3 MET A 121 40.373 17.670 40.240 1.00 0.00 H ATOM 1746 H MET A 121 46.703 16.267 41.242 1.00 0.00 H ATOM 1747 N GLY A 122 45.190 19.493 43.125 1.00 9.17 N ATOM 1748 CA GLY A 122 45.632 20.092 44.371 1.00 8.62 C ATOM 1749 C GLY A 122 44.486 20.639 45.195 1.00 8.32 C ATOM 1750 O GLY A 122 43.488 21.137 44.649 1.00 8.11 O ATOM 1751 HA3 GLY A 122 46.318 20.908 44.142 1.00 0.00 H ATOM 1752 HA2 GLY A 122 46.153 19.335 44.957 1.00 0.00 H ATOM 1753 H GLY A 122 44.517 20.000 42.515 1.00 0.00 H ATOM 1754 N LEU A 123 44.627 20.507 46.515 1.00 7.27 N ATOM 1755 CA LEU A 123 43.686 21.110 47.457 1.00 8.13 C ATOM 1756 C LEU A 123 44.468 22.118 48.264 1.00 8.64 C ATOM 1757 O LEU A 123 45.475 21.756 48.893 1.00 8.23 O ATOM 1758 CB LEU A 123 43.086 20.046 48.381 1.00 7.78 C ATOM 1759 CG LEU A 123 42.154 20.620 49.465 1.00 8.78 C ATOM 1760 CD1 LEU A 123 40.894 21.253 48.868 1.00 9.06 C ATOM 1761 CD2 LEU A 123 41.787 19.510 50.478 1.00 9.27 C ATOM 1762 HA LEU A 123 42.859 21.582 46.927 1.00 0.00 H ATOM 1763 HB2 LEU A 123 42.515 19.344 47.773 1.00 0.00 H ATOM 1764 HB3 LEU A 123 43.902 19.518 48.873 1.00 0.00 H ATOM 1765 HG LEU A 123 42.690 21.417 49.981 1.00 0.00 H ATOM 1766 HD21 LEU A 123 41.280 18.698 49.957 1.00 0.00 H ATOM 1767 HD22 LEU A 123 42.696 19.132 50.946 1.00 0.00 H ATOM 1768 HD23 LEU A 123 41.128 19.921 51.243 1.00 0.00 H ATOM 1769 HD11 LEU A 123 41.179 22.066 48.200 1.00 0.00 H ATOM 1770 HD12 LEU A 123 40.340 20.499 48.309 1.00 0.00 H ATOM 1771 HD13 LEU A 123 40.269 21.643 49.672 1.00 0.00 H ATOM 1772 H LEU A 123 45.430 19.959 46.885 1.00 0.00 H ATOM 1773 N TYR A 124 44.011 23.373 48.216 1.00 7.75 N ATOM 1774 CA TYR A 124 44.699 24.501 48.872 1.00 7.51 C ATOM 1775 C TYR A 124 43.729 25.116 49.866 1.00 8.35 C ATOM 1776 O TYR A 124 42.527 25.128 49.647 1.00 8.57 O ATOM 1777 CB TYR A 124 45.184 25.556 47.825 1.00 8.53 C ATOM 1778 CG TYR A 124 45.939 24.850 46.715 1.00 8.49 C ATOM 1779 CD1 TYR A 124 47.317 24.611 46.814 1.00 8.32 C ATOM 1780 CD2 TYR A 124 45.260 24.367 45.608 1.00 9.63 C ATOM 1781 CE1 TYR A 124 47.986 23.910 45.833 1.00 9.11 C ATOM 1782 CE2 TYR A 124 45.921 23.664 44.620 1.00 9.88 C ATOM 1783 CZ TYR A 124 47.275 23.438 44.735 1.00 10.41 C ATOM 1784 OH TYR A 124 47.883 22.720 43.715 1.00 11.94 O ATOM 1785 HA TYR A 124 45.591 24.147 49.388 1.00 0.00 H ATOM 1786 HB3 TYR A 124 45.841 26.277 48.312 1.00 0.00 H ATOM 1787 HB2 TYR A 124 44.323 26.076 47.406 1.00 0.00 H ATOM 1788 HD2 TYR A 124 44.189 24.544 45.516 1.00 0.00 H ATOM 1789 HE2 TYR A 124 45.374 23.290 43.754 1.00 0.00 H ATOM 1790 HE1 TYR A 124 49.057 23.728 45.917 1.00 0.00 H ATOM 1791 HD1 TYR A 124 47.867 24.984 47.678 1.00 0.00 H ATOM 1792 HH TYR A 124 48.849 22.624 43.911 1.00 0.00 H ATOM 1793 H TYR A 124 43.132 23.563 47.693 1.00 0.00 H ATOM 1794 N GLY A 125 44.288 25.607 50.977 1.00 8.06 N ATOM 1795 CA GLY A 125 43.464 26.207 52.024 1.00 9.08 C ATOM 1796 C GLY A 125 43.899 27.621 52.372 1.00 9.70 C ATOM 1797 O GLY A 125 45.045 28.005 52.181 1.00 9.63 O ATOM 1798 HA3 GLY A 125 43.533 25.590 52.920 1.00 0.00 H ATOM 1799 HA2 GLY A 125 42.429 26.234 51.682 1.00 0.00 H ATOM 1800 H GLY A 125 45.320 25.561 51.097 1.00 0.00 H ATOM 1801 N ARG A 126 42.953 28.414 52.858 1.00 8.79 N ATOM 1802 CA ARG A 126 43.313 29.738 53.341 1.00 9.31 C ATOM 1803 C ARG A 126 44.134 29.653 54.622 1.00 9.53 C ATOM 1804 O ARG A 126 44.979 30.526 54.895 1.00 9.70 O ATOM 1805 CB ARG A 126 42.062 30.556 53.596 1.00 9.05 C ATOM 1806 CG ARG A 126 41.324 30.981 52.329 1.00 10.27 C ATOM 1807 CD ARG A 126 42.197 31.851 51.432 1.00 9.58 C ATOM 1808 NE ARG A 126 41.362 32.554 50.457 1.00 8.03 N ATOM 1809 CZ ARG A 126 41.822 33.481 49.623 1.00 10.10 C ATOM 1810 NH1 ARG A 126 43.110 33.819 49.647 1.00 9.42 N ATOM 1811 NH2 ARG A 126 40.993 34.064 48.768 1.00 9.65 N ATOM 1812 HA ARG A 126 43.918 30.221 52.574 1.00 0.00 H ATOM 1813 HB2 ARG A 126 41.382 29.960 54.205 1.00 0.00 H ATOM 1814 HB3 ARG A 126 42.346 31.454 54.144 1.00 0.00 H ATOM 1815 HG2 ARG A 126 41.028 30.089 51.777 1.00 0.00 H ATOM 1816 HG3 ARG A 126 40.434 31.545 52.610 1.00 0.00 H ATOM 1817 HD2 ARG A 126 42.916 31.222 50.906 1.00 0.00 H ATOM 1818 HD3 ARG A 126 42.731 32.579 52.043 1.00 0.00 H ATOM 1819 HE ARG A 126 40.351 32.314 50.414 1.00 0.00 H ATOM 1820 HH12 ARG A 126 43.469 34.544 48.994 1.00 0.00 H ATOM 1821 HH11 ARG A 126 43.756 33.358 50.319 1.00 0.00 H ATOM 1822 HH22 ARG A 126 41.347 34.790 48.113 1.00 0.00 H ATOM 1823 HH21 ARG A 126 39.988 33.795 48.752 1.00 0.00 H ATOM 1824 H ARG A 126 41.965 28.092 52.893 1.00 0.00 H ATOM 1825 N GLU A 127 43.863 28.613 55.412 1.00 9.56 N ATOM 1826 CA GLU A 127 44.692 28.255 56.566 1.00 10.11 C ATOM 1827 C GLU A 127 45.606 27.086 56.219 1.00 10.66 C ATOM 1828 O GLU A 127 45.439 26.458 55.171 1.00 10.31 O ATOM 1829 CB GLU A 127 43.842 27.889 57.781 1.00 10.62 C ATOM 1830 CG GLU A 127 42.890 28.966 58.211 1.00 12.42 C ATOM 1831 CD GLU A 127 42.270 28.690 59.569 1.00 15.27 C ATOM 1832 OE1 GLU A 127 42.406 27.552 60.093 1.00 13.35 O ATOM 1833 OE2 GLU A 127 41.667 29.631 60.128 1.00 17.98 O ATOM 1834 HA GLU A 127 45.292 29.130 56.818 1.00 0.00 H ATOM 1835 HB2 GLU A 127 43.264 26.998 57.538 1.00 0.00 H ATOM 1836 HB3 GLU A 127 44.511 27.671 58.614 1.00 0.00 H ATOM 1837 HG2 GLU A 127 43.431 29.911 58.259 1.00 0.00 H ATOM 1838 HG3 GLU A 127 42.092 29.043 57.472 1.00 0.00 H ATOM 1839 H GLU A 127 43.027 28.031 55.200 1.00 0.00 H ATOM 1840 N PRO A 128 46.596 26.805 57.074 1.00 10.77 N ATOM 1841 CA PRO A 128 47.506 25.688 56.798 1.00 10.52 C ATOM 1842 C PRO A 128 46.893 24.270 56.873 1.00 10.85 C ATOM 1843 O PRO A 128 47.607 23.274 56.687 1.00 12.16 O ATOM 1844 CB PRO A 128 48.622 25.873 57.835 1.00 11.66 C ATOM 1845 CG PRO A 128 48.491 27.319 58.277 1.00 11.11 C ATOM 1846 CD PRO A 128 47.030 27.571 58.256 1.00 10.30 C ATOM 1847 HA PRO A 128 47.835 25.728 55.760 1.00 0.00 H ATOM 1848 HD3 PRO A 128 46.552 27.202 59.163 1.00 0.00 H ATOM 1849 HD2 PRO A 128 46.814 28.633 58.140 1.00 0.00 H ATOM 1850 HG3 PRO A 128 49.009 27.984 57.586 1.00 0.00 H ATOM 1851 HG2 PRO A 128 48.893 27.455 59.281 1.00 0.00 H ATOM 1852 HB2 PRO A 128 48.481 25.197 58.679 1.00 0.00 H ATOM 1853 HB3 PRO A 128 49.599 25.693 57.387 1.00 0.00 H ATOM 1854 N ASP A 129 45.594 24.172 57.137 1.00 10.05 N ATOM 1855 CA ASP A 129 44.913 22.869 57.103 1.00 10.47 C ATOM 1856 C ASP A 129 43.447 23.100 56.768 1.00 10.19 C ATOM 1857 O ASP A 129 42.987 24.244 56.715 1.00 10.39 O ATOM 1858 CB ASP A 129 45.072 22.109 58.431 1.00 10.92 C ATOM 1859 CG ASP A 129 44.953 20.590 58.270 1.00 14.24 C ATOM 1860 OD1 ASP A 129 44.641 20.077 57.156 1.00 13.53 O ATOM 1861 OD2 ASP A 129 45.193 19.882 59.285 1.00 15.05 O ATOM 1862 HA ASP A 129 45.370 22.243 56.336 1.00 0.00 H ATOM 1863 HB2 ASP A 129 46.053 22.339 58.848 1.00 0.00 H ATOM 1864 HB3 ASP A 129 44.298 22.447 59.120 1.00 0.00 H ATOM 1865 H ASP A 129 45.052 25.028 57.371 1.00 0.00 H ATOM 1866 N LEU A 130 42.726 22.008 56.509 1.00 10.07 N ATOM 1867 CA LEU A 130 41.311 22.073 56.163 1.00 10.04 C ATOM 1868 C LEU A 130 40.558 21.003 56.946 1.00 9.76 C ATOM 1869 O LEU A 130 41.171 20.060 57.466 1.00 11.31 O ATOM 1870 CB LEU A 130 41.120 21.850 54.650 1.00 10.18 C ATOM 1871 CG LEU A 130 41.422 23.072 53.772 1.00 10.52 C ATOM 1872 CD1 LEU A 130 41.578 22.700 52.318 1.00 10.37 C ATOM 1873 CD2 LEU A 130 40.337 24.124 53.884 1.00 11.17 C ATOM 1874 HA LEU A 130 40.921 23.058 56.418 1.00 0.00 H ATOM 1875 HB2 LEU A 130 41.780 21.040 54.341 1.00 0.00 H ATOM 1876 HB3 LEU A 130 40.084 21.558 54.479 1.00 0.00 H ATOM 1877 HG LEU A 130 42.364 23.478 54.142 1.00 0.00 H ATOM 1878 HD21 LEU A 130 39.386 23.698 53.565 1.00 0.00 H ATOM 1879 HD22 LEU A 130 40.259 24.455 54.920 1.00 0.00 H ATOM 1880 HD23 LEU A 130 40.588 24.972 53.248 1.00 0.00 H ATOM 1881 HD11 LEU A 130 42.400 21.993 52.212 1.00 0.00 H ATOM 1882 HD12 LEU A 130 40.655 22.243 51.960 1.00 0.00 H ATOM 1883 HD13 LEU A 130 41.791 23.597 51.736 1.00 0.00 H ATOM 1884 H LEU A 130 43.189 21.078 56.555 1.00 0.00 H ATOM 1885 N SER A 131 39.232 21.137 57.006 1.00 10.62 N ATOM 1886 CA SER A 131 38.418 20.129 57.695 1.00 11.95 C ATOM 1887 C SER A 131 38.478 18.769 57.003 1.00 12.72 C ATOM 1888 O SER A 131 38.723 18.677 55.799 1.00 11.90 O ATOM 1889 CB SER A 131 36.972 20.577 57.776 1.00 13.11 C ATOM 1890 OG SER A 131 36.379 20.629 56.490 1.00 13.75 O ATOM 1891 HA SER A 131 38.833 20.023 58.697 1.00 0.00 H ATOM 1892 HB2 SER A 131 36.931 21.568 58.227 1.00 0.00 H ATOM 1893 HB3 SER A 131 36.416 19.874 58.396 1.00 0.00 H ATOM 1894 HG SER A 131 35.438 20.924 56.574 1.00 0.00 H ATOM 1895 H SER A 131 38.774 21.959 56.563 1.00 0.00 H ATOM 1896 N SER A 132 38.212 17.713 57.756 1.00 13.49 N ATOM 1897 CA SER A 132 38.159 16.389 57.150 1.00 14.31 C ATOM 1898 C SER A 132 37.060 16.309 56.088 1.00 14.35 C ATOM 1899 O SER A 132 37.214 15.588 55.097 1.00 14.59 O ATOM 1900 CB SER A 132 37.937 15.314 58.211 1.00 15.37 C ATOM 1901 OG SER A 132 36.799 15.629 58.959 1.00 20.27 O ATOM 1902 HA SER A 132 39.119 16.212 56.666 1.00 0.00 H ATOM 1903 HB2 SER A 132 38.804 15.268 58.870 1.00 0.00 H ATOM 1904 HB3 SER A 132 37.798 14.347 57.727 1.00 0.00 H ATOM 1905 HG SER A 132 36.655 14.932 59.647 1.00 0.00 H ATOM 1906 H SER A 132 38.042 17.828 58.775 1.00 0.00 H ATOM 1907 N ASP A 133 35.955 17.025 56.291 1.00 14.41 N ATOM 1908 CA ASP A 133 34.854 17.044 55.314 1.00 15.08 C ATOM 1909 C ASP A 133 35.302 17.590 53.956 1.00 13.71 C ATOM 1910 O ASP A 133 34.995 17.006 52.905 1.00 13.73 O ATOM 1911 CB ASP A 133 33.644 17.833 55.837 1.00 16.67 C ATOM 1912 CG ASP A 133 32.862 17.079 56.914 1.00 21.78 C ATOM 1913 OD1 ASP A 133 33.254 15.944 57.281 1.00 26.82 O ATOM 1914 OD2 ASP A 133 31.839 17.627 57.385 1.00 26.98 O ATOM 1915 HA ASP A 133 34.548 16.007 55.173 1.00 0.00 H ATOM 1916 HB2 ASP A 133 33.998 18.774 56.258 1.00 0.00 H ATOM 1917 HB3 ASP A 133 32.975 18.039 55.001 1.00 0.00 H ATOM 1918 H ASP A 133 35.868 17.585 57.163 1.00 0.00 H ATOM 1919 N ILE A 134 36.049 18.693 53.982 1.00 12.74 N ATOM 1920 CA ILE A 134 36.572 19.256 52.742 1.00 11.66 C ATOM 1921 C ILE A 134 37.598 18.307 52.113 1.00 11.55 C ATOM 1922 O ILE A 134 37.628 18.131 50.894 1.00 11.39 O ATOM 1923 CB ILE A 134 37.160 20.674 52.950 1.00 12.24 C ATOM 1924 CG1 ILE A 134 36.012 21.652 53.229 1.00 13.82 C ATOM 1925 CG2 ILE A 134 37.932 21.105 51.706 1.00 12.71 C ATOM 1926 CD1 ILE A 134 36.433 22.989 53.819 1.00 15.85 C ATOM 1927 HA ILE A 134 35.738 19.364 52.049 1.00 0.00 H ATOM 1928 HB ILE A 134 37.846 20.669 53.797 1.00 0.00 H ATOM 1929 HG12 ILE A 134 35.496 21.845 52.288 1.00 0.00 H ATOM 1930 HG13 ILE A 134 35.324 21.176 53.928 1.00 0.00 H ATOM 1931 HD11 ILE A 134 36.939 22.822 54.770 1.00 0.00 H ATOM 1932 HD12 ILE A 134 37.111 23.492 53.129 1.00 0.00 H ATOM 1933 HD13 ILE A 134 35.550 23.608 53.979 1.00 0.00 H ATOM 1934 HG21 ILE A 134 38.745 20.402 51.522 1.00 0.00 H ATOM 1935 HG22 ILE A 134 37.259 21.117 50.848 1.00 0.00 H ATOM 1936 HG23 ILE A 134 38.342 22.103 51.862 1.00 0.00 H ATOM 1937 H ILE A 134 36.260 19.154 54.890 1.00 0.00 H ATOM 1938 N LYS A 135 38.435 17.684 52.933 1.00 10.41 N ATOM 1939 CA LYS A 135 39.399 16.734 52.401 1.00 10.39 C ATOM 1940 C LYS A 135 38.697 15.562 51.730 1.00 10.55 C ATOM 1941 O LYS A 135 39.200 15.032 50.727 1.00 11.78 O ATOM 1942 CB LYS A 135 40.352 16.241 53.495 1.00 10.08 C ATOM 1943 CG LYS A 135 41.243 17.327 54.054 1.00 11.46 C ATOM 1944 CD LYS A 135 42.209 16.752 55.083 1.00 12.56 C ATOM 1945 CE LYS A 135 43.111 17.862 55.588 1.00 11.51 C ATOM 1946 NZ LYS A 135 44.070 17.400 56.647 1.00 13.43 N ATOM 1947 HA LYS A 135 39.992 17.252 51.647 1.00 0.00 H ATOM 1948 HB2 LYS A 135 39.758 15.828 54.310 1.00 0.00 H ATOM 1949 HB3 LYS A 135 40.984 15.458 53.075 1.00 0.00 H ATOM 1950 HG2 LYS A 135 41.812 17.778 53.241 1.00 0.00 H ATOM 1951 HG3 LYS A 135 40.625 18.089 54.529 1.00 0.00 H ATOM 1952 HD2 LYS A 135 41.647 16.330 55.916 1.00 0.00 H ATOM 1953 HD3 LYS A 135 42.813 15.971 54.621 1.00 0.00 H ATOM 1954 HE2 LYS A 135 42.488 18.654 56.004 1.00 0.00 H ATOM 1955 HE3 LYS A 135 43.683 18.255 54.748 1.00 0.00 H ATOM 1956 HZ1 LYS A 135 43.536 17.031 57.459 1.00 0.00 H ATOM 1957 HZ2 LYS A 135 44.677 16.649 56.260 1.00 0.00 H ATOM 1958 HZ3 LYS A 135 44.659 18.201 56.953 1.00 0.00 H ATOM 1959 H LYS A 135 38.402 17.875 53.955 1.00 0.00 H ATOM 1960 N GLU A 136 37.557 15.150 52.284 1.00 10.68 N ATOM 1961 CA GLU A 136 36.763 14.075 51.669 1.00 10.09 C ATOM 1962 C GLU A 136 36.172 14.510 50.326 1.00 10.10 C ATOM 1963 O GLU A 136 36.178 13.737 49.349 1.00 10.01 O ATOM 1964 CB GLU A 136 35.667 13.572 52.636 1.00 11.26 C ATOM 1965 CG GLU A 136 34.731 12.502 52.056 1.00 13.01 C ATOM 1966 CD GLU A 136 35.430 11.200 51.681 1.00 13.13 C ATOM 1967 OE1 GLU A 136 36.627 11.001 51.992 1.00 14.16 O ATOM 1968 OE2 GLU A 136 34.751 10.348 51.061 1.00 15.02 O ATOM 1969 HA GLU A 136 37.435 13.241 51.468 1.00 0.00 H ATOM 1970 HB2 GLU A 136 36.157 13.152 53.514 1.00 0.00 H ATOM 1971 HB3 GLU A 136 35.060 14.427 52.934 1.00 0.00 H ATOM 1972 HG2 GLU A 136 33.965 12.278 52.798 1.00 0.00 H ATOM 1973 HG3 GLU A 136 34.260 12.908 51.161 1.00 0.00 H ATOM 1974 H GLU A 136 37.224 15.595 53.163 1.00 0.00 H ATOM 1975 N ARG A 137 35.672 15.744 50.252 1.00 9.91 N ATOM 1976 CA ARG A 137 35.175 16.266 48.986 1.00 10.30 C ATOM 1977 C ARG A 137 36.277 16.295 47.936 1.00 9.58 C ATOM 1978 O ARG A 137 36.022 16.039 46.762 1.00 10.38 O ATOM 1979 CB ARG A 137 34.620 17.674 49.164 1.00 10.67 C ATOM 1980 CG ARG A 137 33.348 17.721 50.002 1.00 13.54 C ATOM 1981 CD ARG A 137 32.776 19.142 50.069 1.00 16.85 C ATOM 1982 NE ARG A 137 32.388 19.635 48.750 1.00 19.62 N ATOM 1983 CZ ARG A 137 32.101 20.904 48.460 1.00 20.10 C ATOM 1984 NH1 ARG A 137 32.140 21.843 49.399 1.00 18.36 N ATOM 1985 NH2 ARG A 137 31.769 21.236 47.219 1.00 21.59 N ATOM 1986 HA ARG A 137 34.379 15.602 48.650 1.00 0.00 H ATOM 1987 HB2 ARG A 137 35.379 18.286 49.652 1.00 0.00 H ATOM 1988 HB3 ARG A 137 34.401 18.087 48.179 1.00 0.00 H ATOM 1989 HG2 ARG A 137 32.605 17.060 49.557 1.00 0.00 H ATOM 1990 HG3 ARG A 137 33.576 17.382 51.013 1.00 0.00 H ATOM 1991 HD2 ARG A 137 33.532 19.807 50.486 1.00 0.00 H ATOM 1992 HD3 ARG A 137 31.899 19.139 50.717 1.00 0.00 H ATOM 1993 HE ARG A 137 32.331 18.942 47.977 1.00 0.00 H ATOM 1994 HH12 ARG A 137 31.914 22.829 49.158 1.00 0.00 H ATOM 1995 HH11 ARG A 137 32.397 21.592 50.375 1.00 0.00 H ATOM 1996 HH22 ARG A 137 31.544 22.225 46.988 1.00 0.00 H ATOM 1997 HH21 ARG A 137 31.734 20.508 46.478 1.00 0.00 H ATOM 1998 H ARG A 137 35.637 16.338 51.105 1.00 0.00 H ATOM 1999 N PHE A 138 37.502 16.579 48.357 1.00 9.35 N ATOM 2000 CA PHE A 138 38.614 16.530 47.428 1.00 8.27 C ATOM 2001 C PHE A 138 38.892 15.106 46.930 1.00 9.48 C ATOM 2002 O PHE A 138 39.185 14.881 45.747 1.00 9.05 O ATOM 2003 CB PHE A 138 39.866 17.117 48.076 1.00 8.21 C ATOM 2004 CG PHE A 138 41.056 17.148 47.166 1.00 7.41 C ATOM 2005 CD1 PHE A 138 41.080 17.998 46.069 1.00 7.63 C ATOM 2006 CD2 PHE A 138 42.141 16.329 47.406 1.00 8.78 C ATOM 2007 CE1 PHE A 138 42.177 18.045 45.227 1.00 8.44 C ATOM 2008 CE2 PHE A 138 43.251 16.359 46.576 1.00 10.05 C ATOM 2009 CZ PHE A 138 43.262 17.203 45.480 1.00 8.18 C ATOM 2010 HA PHE A 138 38.339 17.128 46.559 1.00 0.00 H ATOM 2011 HB2 PHE A 138 39.646 18.137 48.390 1.00 0.00 H ATOM 2012 HB3 PHE A 138 40.116 16.515 48.950 1.00 0.00 H ATOM 2013 HD2 PHE A 138 42.125 15.650 48.259 1.00 0.00 H ATOM 2014 HE2 PHE A 138 44.110 15.721 46.786 1.00 0.00 H ATOM 2015 HZ PHE A 138 44.122 17.211 44.810 1.00 0.00 H ATOM 2016 HE1 PHE A 138 42.194 18.729 44.379 1.00 0.00 H ATOM 2017 HD1 PHE A 138 40.221 18.638 45.868 1.00 0.00 H ATOM 2018 H PHE A 138 37.665 16.836 49.351 1.00 0.00 H ATOM 2019 N ALA A 139 38.822 14.139 47.830 1.00 8.93 N ATOM 2020 CA ALA A 139 39.026 12.753 47.420 1.00 8.46 C ATOM 2021 C ALA A 139 37.967 12.342 46.401 1.00 9.44 C ATOM 2022 O ALA A 139 38.271 11.602 45.456 1.00 10.41 O ATOM 2023 CB ALA A 139 39.010 11.830 48.632 1.00 8.93 C ATOM 2024 HA ALA A 139 40.004 12.667 46.947 1.00 0.00 H ATOM 2025 HB1 ALA A 139 39.807 12.118 49.317 1.00 0.00 H ATOM 2026 HB2 ALA A 139 38.048 11.912 49.137 1.00 0.00 H ATOM 2027 HB3 ALA A 139 39.164 10.801 48.306 1.00 0.00 H ATOM 2028 H ALA A 139 38.622 14.365 48.825 1.00 0.00 H ATOM 2029 N GLN A 140 36.746 12.838 46.582 1.00 9.18 N ATOM 2030 CA GLN A 140 35.676 12.562 45.631 1.00 10.12 C ATOM 2031 C GLN A 140 35.967 13.187 44.260 1.00 10.21 C ATOM 2032 O GLN A 140 35.700 12.568 43.216 1.00 10.85 O ATOM 2033 CB GLN A 140 34.310 13.028 46.164 1.00 10.33 C ATOM 2034 CG GLN A 140 33.846 12.261 47.413 1.00 10.47 C ATOM 2035 CD GLN A 140 33.646 10.752 47.182 1.00 10.76 C ATOM 2036 OE1 GLN A 140 33.917 9.928 48.079 1.00 15.29 O ATOM 2037 NE2 GLN A 140 33.171 10.389 45.992 1.00 9.25 N ATOM 2038 HA GLN A 140 35.633 11.480 45.504 1.00 0.00 H ATOM 2039 HB2 GLN A 140 34.380 14.086 46.415 1.00 0.00 H ATOM 2040 HB3 GLN A 140 33.567 12.890 45.378 1.00 0.00 H ATOM 2041 HG2 GLN A 140 34.595 12.392 48.194 1.00 0.00 H ATOM 2042 HG3 GLN A 140 32.899 12.686 47.744 1.00 0.00 H ATOM 2043 HE22 GLN A 140 32.959 11.111 45.274 1.00 0.00 H ATOM 2044 HE21 GLN A 140 33.012 9.383 45.780 1.00 0.00 H ATOM 2045 H GLN A 140 36.552 13.431 47.414 1.00 0.00 H ATOM 2046 N LEU A 141 36.525 14.399 44.259 1.00 9.43 N ATOM 2047 CA LEU A 141 36.860 15.034 42.997 1.00 10.04 C ATOM 2048 C LEU A 141 37.999 14.279 42.293 1.00 10.39 C ATOM 2049 O LEU A 141 37.977 14.077 41.071 1.00 10.67 O ATOM 2050 CB LEU A 141 37.238 16.499 43.229 1.00 10.29 C ATOM 2051 CG LEU A 141 37.574 17.283 41.968 1.00 13.63 C ATOM 2052 CD1 LEU A 141 36.320 17.554 41.155 1.00 16.78 C ATOM 2053 CD2 LEU A 141 38.255 18.573 42.364 1.00 16.72 C ATOM 2054 HA LEU A 141 35.986 15.001 42.347 1.00 0.00 H ATOM 2055 HB2 LEU A 141 36.399 16.991 43.720 1.00 0.00 H ATOM 2056 HB3 LEU A 141 38.108 16.524 43.885 1.00 0.00 H ATOM 2057 HG LEU A 141 38.247 16.699 41.341 1.00 0.00 H ATOM 2058 HD21 LEU A 141 37.585 19.157 42.995 1.00 0.00 H ATOM 2059 HD22 LEU A 141 39.169 18.346 42.913 1.00 0.00 H ATOM 2060 HD23 LEU A 141 38.500 19.143 41.468 1.00 0.00 H ATOM 2061 HD11 LEU A 141 35.861 16.607 40.870 1.00 0.00 H ATOM 2062 HD12 LEU A 141 35.618 18.133 41.755 1.00 0.00 H ATOM 2063 HD13 LEU A 141 36.584 18.115 40.259 1.00 0.00 H ATOM 2064 H LEU A 141 36.719 14.886 45.157 1.00 0.00 H ATOM 2065 N CYS A 142 38.989 13.841 43.055 1.00 10.14 N ATOM 2066 CA CYS A 142 40.048 13.012 42.480 1.00 9.27 C ATOM 2067 C CYS A 142 39.476 11.746 41.835 1.00 9.30 C ATOM 2068 O CYS A 142 39.870 11.350 40.733 1.00 10.34 O ATOM 2069 CB CYS A 142 41.091 12.654 43.540 1.00 9.79 C ATOM 2070 SG CYS A 142 42.042 14.090 44.064 1.00 10.79 S ATOM 2071 HA CYS A 142 40.537 13.593 41.698 1.00 0.00 H ATOM 2072 HB2 CYS A 142 41.773 11.912 43.126 1.00 0.00 H ATOM 2073 HB3 CYS A 142 40.582 12.234 44.407 1.00 0.00 H ATOM 2074 HG CYS A 142 41.189 15.034 44.599 1.00 0.00 H ATOM 2075 H CYS A 142 39.014 14.087 44.065 1.00 0.00 H ATOM 2076 N GLU A 143 38.545 11.104 42.534 1.00 9.54 N ATOM 2077 CA GLU A 143 37.915 9.889 42.020 1.00 9.99 C ATOM 2078 C GLU A 143 37.260 10.148 40.663 1.00 10.42 C ATOM 2079 O GLU A 143 37.367 9.314 39.745 1.00 10.48 O ATOM 2080 CB GLU A 143 36.936 9.328 43.068 1.00 11.14 C ATOM 2081 CG GLU A 143 36.069 8.171 42.595 1.00 11.41 C ATOM 2082 CD GLU A 143 35.198 7.580 43.697 1.00 11.09 C ATOM 2083 OE1 GLU A 143 34.427 6.669 43.381 1.00 12.20 O ATOM 2084 OE2 GLU A 143 35.283 8.025 44.858 1.00 12.45 O ATOM 2085 HA GLU A 143 38.674 9.126 41.847 1.00 0.00 H ATOM 2086 HB2 GLU A 143 37.518 8.985 43.923 1.00 0.00 H ATOM 2087 HB3 GLU A 143 36.276 10.138 43.380 1.00 0.00 H ATOM 2088 HG2 GLU A 143 35.420 8.529 41.795 1.00 0.00 H ATOM 2089 HG3 GLU A 143 36.720 7.386 42.209 1.00 0.00 H ATOM 2090 H GLU A 143 38.260 11.473 43.464 1.00 0.00 H ATOM 2091 N GLU A 144 36.607 11.300 40.527 1.00 10.62 N ATOM 2092 CA GLU A 144 35.934 11.661 39.281 1.00 11.88 C ATOM 2093 C GLU A 144 36.919 11.818 38.121 1.00 11.62 C ATOM 2094 O GLU A 144 36.517 11.811 36.949 1.00 12.31 O ATOM 2095 CB GLU A 144 35.147 12.969 39.455 1.00 11.85 C ATOM 2096 CG GLU A 144 33.888 12.827 40.296 1.00 14.73 C ATOM 2097 CD GLU A 144 33.265 14.160 40.713 1.00 16.86 C ATOM 2098 OE1 GLU A 144 33.790 15.230 40.346 1.00 22.54 O ATOM 2099 OE2 GLU A 144 32.232 14.124 41.417 1.00 24.06 O ATOM 2100 HA GLU A 144 35.251 10.846 39.042 1.00 0.00 H ATOM 2101 HB2 GLU A 144 35.798 13.700 39.934 1.00 0.00 H ATOM 2102 HB3 GLU A 144 34.861 13.331 38.467 1.00 0.00 H ATOM 2103 HG2 GLU A 144 33.151 12.269 39.718 1.00 0.00 H ATOM 2104 HG3 GLU A 144 34.139 12.269 41.198 1.00 0.00 H ATOM 2105 H GLU A 144 36.575 11.961 41.329 1.00 0.00 H ATOM 2106 N HIS A 145 38.198 11.961 38.440 1.00 10.90 N ATOM 2107 CA HIS A 145 39.218 12.146 37.415 1.00 10.66 C ATOM 2108 C HIS A 145 40.115 10.922 37.296 1.00 10.89 C ATOM 2109 O HIS A 145 41.174 10.993 36.691 1.00 11.65 O ATOM 2110 CB HIS A 145 40.046 13.395 37.725 1.00 11.29 C ATOM 2111 CG HIS A 145 39.285 14.663 37.523 1.00 13.23 C ATOM 2112 ND1 HIS A 145 39.311 15.357 36.332 1.00 16.31 N ATOM 2113 CD2 HIS A 145 38.437 15.340 38.336 1.00 14.48 C ATOM 2114 CE1 HIS A 145 38.543 16.427 36.434 1.00 14.68 C ATOM 2115 NE2 HIS A 145 37.995 16.438 37.634 1.00 17.24 N ATOM 2116 HA HIS A 145 38.719 12.279 36.455 1.00 0.00 H ATOM 2117 HB2 HIS A 145 40.372 13.347 38.764 1.00 0.00 H ATOM 2118 HB3 HIS A 145 40.918 13.405 37.072 1.00 0.00 H ATOM 2119 HD2 HIS A 145 38.158 15.066 39.354 1.00 0.00 H ATOM 2120 HE1 HIS A 145 38.388 17.175 35.657 1.00 0.00 H ATOM 2121 H HIS A 145 38.479 11.941 39.441 1.00 0.00 H ATOM 2122 N GLY A 146 39.678 9.808 37.888 1.00 10.34 N ATOM 2123 CA GLY A 146 40.404 8.532 37.780 1.00 11.50 C ATOM 2124 C GLY A 146 41.676 8.490 38.610 1.00 11.75 C ATOM 2125 O GLY A 146 42.619 7.750 38.289 1.00 12.51 O ATOM 2126 HA3 GLY A 146 40.668 8.371 36.735 1.00 0.00 H ATOM 2127 HA2 GLY A 146 39.746 7.730 38.115 1.00 0.00 H ATOM 2128 H GLY A 146 38.798 9.843 38.442 1.00 0.00 H ATOM 2129 N ILE A 147 41.713 9.274 39.691 1.00 12.02 N ATOM 2130 CA ILE A 147 42.899 9.267 40.573 1.00 12.82 C ATOM 2131 C ILE A 147 42.575 8.519 41.867 1.00 13.05 C ATOM 2132 O ILE A 147 41.678 8.921 42.602 1.00 13.58 O ATOM 2133 CB ILE A 147 43.423 10.701 40.864 1.00 13.26 C ATOM 2134 CG1 ILE A 147 43.928 11.358 39.573 1.00 12.67 C ATOM 2135 CG2 ILE A 147 44.544 10.667 41.912 1.00 13.53 C ATOM 2136 CD1 ILE A 147 44.297 12.809 39.729 1.00 13.50 C ATOM 2137 HA ILE A 147 43.704 8.746 40.054 1.00 0.00 H ATOM 2138 HB ILE A 147 42.597 11.292 41.260 1.00 0.00 H ATOM 2139 HG12 ILE A 147 44.810 10.814 39.233 1.00 0.00 H ATOM 2140 HG13 ILE A 147 43.144 11.282 38.820 1.00 0.00 H ATOM 2141 HD11 ILE A 147 43.423 13.372 40.057 1.00 0.00 H ATOM 2142 HD12 ILE A 147 45.090 12.903 40.471 1.00 0.00 H ATOM 2143 HD13 ILE A 147 44.644 13.199 38.772 1.00 0.00 H ATOM 2144 HG21 ILE A 147 44.161 10.237 42.837 1.00 0.00 H ATOM 2145 HG22 ILE A 147 45.369 10.059 41.540 1.00 0.00 H ATOM 2146 HG23 ILE A 147 44.895 11.682 42.100 1.00 0.00 H ATOM 2147 H ILE A 147 40.905 9.891 39.912 1.00 0.00 H ATOM 2148 N LEU A 148 43.313 7.436 42.131 1.00 13.71 N ATOM 2149 CA LEU A 148 43.058 6.589 43.291 1.00 14.49 C ATOM 2150 C LEU A 148 43.461 7.305 44.577 1.00 14.04 C ATOM 2151 O LEU A 148 44.389 8.098 44.558 1.00 13.85 O ATOM 2152 CB LEU A 148 43.871 5.299 43.178 1.00 15.12 C ATOM 2153 CG LEU A 148 43.380 4.192 42.238 1.00 18.18 C ATOM 2154 CD1 LEU A 148 44.469 3.147 42.081 1.00 20.54 C ATOM 2155 CD2 LEU A 148 42.079 3.556 42.728 1.00 19.22 C ATOM 2156 HA LEU A 148 41.992 6.363 43.320 1.00 0.00 H ATOM 2157 HB2 LEU A 148 44.871 5.579 42.847 1.00 0.00 H ATOM 2158 HB3 LEU A 148 43.928 4.868 44.178 1.00 0.00 H ATOM 2159 HG LEU A 148 43.162 4.639 41.268 1.00 0.00 H ATOM 2160 HD21 LEU A 148 42.238 3.119 43.714 1.00 0.00 H ATOM 2161 HD22 LEU A 148 41.303 4.319 42.789 1.00 0.00 H ATOM 2162 HD23 LEU A 148 41.771 2.778 42.030 1.00 0.00 H ATOM 2163 HD11 LEU A 148 45.361 3.613 41.662 1.00 0.00 H ATOM 2164 HD12 LEU A 148 44.705 2.720 43.056 1.00 0.00 H ATOM 2165 HD13 LEU A 148 44.121 2.359 41.413 1.00 0.00 H ATOM 2166 H LEU A 148 44.093 7.190 41.489 1.00 0.00 H ATOM 2167 N ARG A 149 42.760 7.023 45.684 1.00 13.53 N ATOM 2168 CA ARG A 149 43.169 7.569 46.976 1.00 13.73 C ATOM 2169 C ARG A 149 44.622 7.280 47.347 1.00 13.26 C ATOM 2170 O ARG A 149 45.271 8.096 48.011 1.00 13.41 O ATOM 2171 CB ARG A 149 42.257 7.099 48.100 1.00 14.48 C ATOM 2172 CG ARG A 149 40.946 7.827 48.141 1.00 14.98 C ATOM 2173 CD ARG A 149 40.010 7.109 49.073 1.00 15.65 C ATOM 2174 NE ARG A 149 38.628 7.558 48.921 1.00 16.86 N ATOM 2175 CZ ARG A 149 38.036 8.436 49.723 1.00 17.03 C ATOM 2176 NH1 ARG A 149 38.698 8.988 50.739 1.00 17.98 N ATOM 2177 NH2 ARG A 149 36.779 8.773 49.497 1.00 17.79 N ATOM 2178 HA ARG A 149 43.080 8.649 46.856 1.00 0.00 H ATOM 2179 HB2 ARG A 149 42.059 6.036 47.964 1.00 0.00 H ATOM 2180 HB3 ARG A 149 42.769 7.254 49.050 1.00 0.00 H ATOM 2181 HG2 ARG A 149 41.105 8.845 48.497 1.00 0.00 H ATOM 2182 HG3 ARG A 149 40.514 7.856 47.141 1.00 0.00 H ATOM 2183 HD2 ARG A 149 40.328 7.291 50.100 1.00 0.00 H ATOM 2184 HD3 ARG A 149 40.057 6.040 48.864 1.00 0.00 H ATOM 2185 HE ARG A 149 38.072 7.165 48.135 1.00 0.00 H ATOM 2186 HH12 ARG A 149 38.222 9.674 51.359 1.00 0.00 H ATOM 2187 HH11 ARG A 149 39.691 8.733 50.912 1.00 0.00 H ATOM 2188 HH22 ARG A 149 36.305 9.459 50.118 1.00 0.00 H ATOM 2189 HH21 ARG A 149 36.263 8.352 48.698 1.00 0.00 H ATOM 2190 H ARG A 149 41.920 6.412 45.623 1.00 0.00 H ATOM 2191 N GLU A 150 45.148 6.127 46.926 1.00 13.21 N ATOM 2192 CA GLU A 150 46.531 5.827 47.258 1.00 12.69 C ATOM 2193 C GLU A 150 47.517 6.771 46.559 1.00 12.26 C ATOM 2194 O GLU A 150 48.697 6.797 46.915 1.00 12.84 O ATOM 2195 CB GLU A 150 46.876 4.361 46.988 1.00 13.45 C ATOM 2196 CG GLU A 150 46.847 3.984 45.530 1.00 17.79 C ATOM 2197 CD GLU A 150 47.062 2.501 45.306 1.00 23.69 C ATOM 2198 OE1 GLU A 150 46.660 1.699 46.177 1.00 24.96 O ATOM 2199 OE2 GLU A 150 47.623 2.127 44.251 1.00 25.66 O ATOM 2200 HA GLU A 150 46.634 5.997 48.330 1.00 0.00 H ATOM 2201 HB2 GLU A 150 47.877 4.168 47.373 1.00 0.00 H ATOM 2202 HB3 GLU A 150 46.158 3.736 47.518 1.00 0.00 H ATOM 2203 HG2 GLU A 150 45.878 4.263 45.116 1.00 0.00 H ATOM 2204 HG3 GLU A 150 47.633 4.533 45.012 1.00 0.00 H ATOM 2205 H GLU A 150 44.579 5.456 46.371 1.00 0.00 H ATOM 2206 N ASN A 151 47.024 7.544 45.580 1.00 11.53 N ATOM 2207 CA ASN A 151 47.822 8.550 44.874 1.00 11.90 C ATOM 2208 C ASN A 151 47.527 9.981 45.350 1.00 11.26 C ATOM 2209 O ASN A 151 47.910 10.949 44.684 1.00 10.65 O ATOM 2210 CB ASN A 151 47.561 8.480 43.365 1.00 12.46 C ATOM 2211 CG ASN A 151 48.100 7.229 42.736 1.00 15.35 C ATOM 2212 OD1 ASN A 151 47.645 6.831 41.658 1.00 23.40 O ATOM 2213 ND2 ASN A 151 49.038 6.579 43.402 1.00 15.00 N ATOM 2214 HA ASN A 151 48.864 8.321 45.096 1.00 0.00 H ATOM 2215 HB2 ASN A 151 46.485 8.519 43.196 1.00 0.00 H ATOM 2216 HB3 ASN A 151 48.033 9.340 42.890 1.00 0.00 H ATOM 2217 HD22 ASN A 151 49.389 6.955 44.306 1.00 0.00 H ATOM 2218 HD21 ASN A 151 49.425 5.692 43.022 1.00 0.00 H ATOM 2219 H ASN A 151 46.027 7.424 45.309 1.00 0.00 H ATOM 2220 N ILE A 152 46.827 10.093 46.479 1.00 10.85 N ATOM 2221 CA ILE A 152 46.516 11.369 47.125 1.00 11.36 C ATOM 2222 C ILE A 152 47.381 11.470 48.380 1.00 11.77 C ATOM 2223 O ILE A 152 47.346 10.563 49.233 1.00 13.26 O ATOM 2224 CB ILE A 152 45.012 11.444 47.520 1.00 11.22 C ATOM 2225 CG1 ILE A 152 44.102 11.232 46.288 1.00 11.33 C ATOM 2226 CG2 ILE A 152 44.702 12.749 48.296 1.00 12.09 C ATOM 2227 CD1 ILE A 152 42.614 11.185 46.611 1.00 11.51 C ATOM 2228 HA ILE A 152 46.719 12.190 46.438 1.00 0.00 H ATOM 2229 HB ILE A 152 44.791 10.625 48.205 1.00 0.00 H ATOM 2230 HG12 ILE A 152 44.275 12.051 45.590 1.00 0.00 H ATOM 2231 HG13 ILE A 152 44.379 10.290 45.816 1.00 0.00 H ATOM 2232 HD11 ILE A 152 42.419 10.362 47.299 1.00 0.00 H ATOM 2233 HD12 ILE A 152 42.314 12.126 47.073 1.00 0.00 H ATOM 2234 HD13 ILE A 152 42.049 11.034 45.692 1.00 0.00 H ATOM 2235 HG21 ILE A 152 45.303 12.781 49.205 1.00 0.00 H ATOM 2236 HG22 ILE A 152 44.941 13.608 47.670 1.00 0.00 H ATOM 2237 HG23 ILE A 152 43.644 12.772 48.558 1.00 0.00 H ATOM 2238 H ILE A 152 46.481 9.221 46.928 1.00 0.00 H ATOM 2239 N ILE A 153 48.164 12.544 48.481 1.00 11.73 N ATOM 2240 CA ILE A 153 49.108 12.717 49.584 1.00 12.11 C ATOM 2241 C ILE A 153 48.749 13.970 50.388 1.00 12.52 C ATOM 2242 O ILE A 153 48.822 15.083 49.876 1.00 11.56 O ATOM 2243 CB ILE A 153 50.571 12.803 49.087 1.00 12.48 C ATOM 2244 CG1 ILE A 153 50.915 11.621 48.159 1.00 13.28 C ATOM 2245 CG2 ILE A 153 51.516 12.898 50.271 1.00 12.61 C ATOM 2246 CD1 ILE A 153 52.342 11.662 47.585 1.00 12.73 C ATOM 2247 HA ILE A 153 49.032 11.838 50.224 1.00 0.00 H ATOM 2248 HB ILE A 153 50.690 13.708 48.492 1.00 0.00 H ATOM 2249 HG12 ILE A 153 50.801 10.697 48.726 1.00 0.00 H ATOM 2250 HG13 ILE A 153 50.211 11.624 47.326 1.00 0.00 H ATOM 2251 HD11 ILE A 153 52.472 12.574 47.003 1.00 0.00 H ATOM 2252 HD12 ILE A 153 53.062 11.646 48.403 1.00 0.00 H ATOM 2253 HD13 ILE A 153 52.499 10.795 46.944 1.00 0.00 H ATOM 2254 HG21 ILE A 153 51.281 13.790 50.852 1.00 0.00 H ATOM 2255 HG22 ILE A 153 51.401 12.014 50.898 1.00 0.00 H ATOM 2256 HG23 ILE A 153 52.543 12.958 49.911 1.00 0.00 H ATOM 2257 H ILE A 153 48.101 13.283 47.752 1.00 0.00 H ATOM 2258 N ASP A 154 48.342 13.773 51.640 1.00 13.33 N ATOM 2259 CA ASP A 154 48.078 14.899 52.533 1.00 13.85 C ATOM 2260 C ASP A 154 49.408 15.478 53.023 1.00 15.14 C ATOM 2261 O ASP A 154 50.209 14.771 53.643 1.00 15.69 O ATOM 2262 CB ASP A 154 47.202 14.435 53.704 1.00 14.30 C ATOM 2263 CG ASP A 154 46.729 15.581 54.599 1.00 16.67 C ATOM 2264 OD1 ASP A 154 47.466 16.567 54.779 1.00 18.09 O ATOM 2265 OD2 ASP A 154 45.610 15.465 55.152 1.00 20.07 O ATOM 2266 HA ASP A 154 47.539 15.682 52.001 1.00 0.00 H ATOM 2267 HB2 ASP A 154 46.326 13.927 53.301 1.00 0.00 H ATOM 2268 HB3 ASP A 154 47.778 13.737 54.311 1.00 0.00 H ATOM 2269 H ASP A 154 48.210 12.802 51.988 1.00 0.00 H ATOM 2270 N LEU A 155 49.630 16.762 52.743 1.00 15.18 N ATOM 2271 CA LEU A 155 50.888 17.436 53.079 1.00 16.73 C ATOM 2272 C LEU A 155 50.760 18.463 54.204 1.00 18.46 C ATOM 2273 O LEU A 155 51.697 19.235 54.440 1.00 18.99 O ATOM 2274 CB LEU A 155 51.516 18.091 51.832 1.00 15.87 C ATOM 2275 CG LEU A 155 51.905 17.110 50.727 1.00 16.01 C ATOM 2276 CD1 LEU A 155 52.186 17.807 49.410 1.00 17.32 C ATOM 2277 CD2 LEU A 155 53.112 16.296 51.165 1.00 16.54 C ATOM 2278 HA LEU A 155 51.547 16.651 53.451 1.00 0.00 H ATOM 2279 HB2 LEU A 155 50.797 18.799 51.421 1.00 0.00 H ATOM 2280 HB3 LEU A 155 52.413 18.626 52.144 1.00 0.00 H ATOM 2281 HG LEU A 155 51.056 16.447 50.560 1.00 0.00 H ATOM 2282 HD21 LEU A 155 53.948 16.967 51.364 1.00 0.00 H ATOM 2283 HD22 LEU A 155 52.866 15.742 52.071 1.00 0.00 H ATOM 2284 HD23 LEU A 155 53.385 15.598 50.373 1.00 0.00 H ATOM 2285 HD11 LEU A 155 51.294 18.344 49.087 1.00 0.00 H ATOM 2286 HD12 LEU A 155 53.008 18.511 49.541 1.00 0.00 H ATOM 2287 HD13 LEU A 155 52.458 17.066 48.659 1.00 0.00 H ATOM 2288 H LEU A 155 48.882 17.307 52.268 1.00 0.00 H ATOM 2289 N SER A 156 49.628 18.458 54.903 1.00 20.22 N ATOM 2290 CA SER A 156 49.385 19.431 55.971 1.00 22.70 C ATOM 2291 C SER A 156 50.303 19.254 57.187 1.00 24.32 C ATOM 2292 O SER A 156 50.489 20.189 57.964 1.00 24.91 O ATOM 2293 CB SER A 156 47.922 19.406 56.413 1.00 22.36 C ATOM 2294 OG SER A 156 47.562 18.133 56.908 1.00 23.21 O ATOM 2295 HA SER A 156 49.621 20.404 55.540 1.00 0.00 H ATOM 2296 HB2 SER A 156 47.288 19.649 55.560 1.00 0.00 H ATOM 2297 HB3 SER A 156 47.774 20.148 57.197 1.00 0.00 H ATOM 2298 HG SER A 156 47.690 17.456 56.198 1.00 0.00 H ATOM 2299 H SER A 156 48.900 17.748 54.687 1.00 0.00 H ATOM 2300 N ASN A 157 50.868 18.062 57.354 1.00 26.65 N ATOM 2301 CA ASN A 157 51.807 17.813 58.457 1.00 29.05 C ATOM 2302 C ASN A 157 53.254 17.771 57.954 1.00 30.04 C ATOM 2303 O ASN A 157 54.173 17.382 58.684 1.00 30.79 O ATOM 2304 CB ASN A 157 51.436 16.522 59.195 1.00 29.81 C ATOM 2305 CG ASN A 157 51.364 16.704 60.708 1.00 32.21 C ATOM 2306 OD1 ASN A 157 52.094 17.515 61.295 1.00 35.15 O ATOM 2307 ND2 ASN A 157 50.478 15.941 61.348 1.00 34.55 N ATOM 2308 HA ASN A 157 51.732 18.640 59.163 1.00 0.00 H ATOM 2309 HB2 ASN A 157 50.463 16.184 58.838 1.00 0.00 H ATOM 2310 HB3 ASN A 157 52.187 15.764 58.971 1.00 0.00 H ATOM 2311 HD22 ASN A 157 49.885 15.273 60.815 1.00 0.00 H ATOM 2312 HD21 ASN A 157 50.379 16.013 62.381 1.00 0.00 H ATOM 2313 H ASN A 157 50.641 17.292 56.692 1.00 0.00 H ATOM 2314 N ALA A 158 53.439 18.190 56.703 1.00 30.97 N ATOM 2315 CA ALA A 158 54.747 18.215 56.055 1.00 31.83 C ATOM 2316 C ALA A 158 55.135 19.644 55.694 1.00 32.32 C ATOM 2317 O ALA A 158 56.034 19.873 54.878 1.00 33.46 O ATOM 2318 CB ALA A 158 54.740 17.328 54.810 1.00 31.84 C ATOM 2319 HA ALA A 158 55.488 17.825 56.752 1.00 0.00 H ATOM 2320 HB1 ALA A 158 54.504 16.303 55.097 1.00 0.00 H ATOM 2321 HB2 ALA A 158 53.989 17.693 54.110 1.00 0.00 H ATOM 2322 HB3 ALA A 158 55.722 17.358 54.339 1.00 0.00 H ATOM 2323 H ALA A 158 52.612 18.515 56.162 1.00 0.00 H TER 2324 ALA A 158 HETATM 2325 O HOH 5 56.506 5.889 44.498 1.00 18.53 O HETATM 2326 O HOH 6 31.942 30.859 52.280 1.00 17.51 O HETATM 2327 O HOH 7 60.428 7.483 37.528 1.00 24.34 O HETATM 2328 O HOH 8 45.485 21.078 61.620 1.00 14.92 O HETATM 2329 O HOH 9 62.597 20.138 34.207 1.00 20.70 O HETATM 2330 O HOH 10 51.853 25.522 51.397 1.00 13.74 O HETATM 2331 O HOH 11 55.416 17.137 25.587 1.00 10.80 O HETATM 2332 O HOH 12 35.659 5.020 45.826 1.00 15.53 O HETATM 2333 O HOH 13 54.254 14.797 31.395 1.00 14.53 O HETATM 2334 O HOH 14 35.794 14.691 35.372 1.00 13.21 O HETATM 2335 O HOH 15 46.735 14.891 28.498 1.00 17.75 O HETATM 2336 O HOH 16 33.029 13.934 55.668 1.00 34.11 O HETATM 2337 O HOH 17 31.871 35.027 53.149 1.00 20.39 O HETATM 2338 O HOH 18 49.520 20.805 29.312 1.00 15.56 O HETATM 2339 O HOH 19 32.057 37.968 50.036 1.00 19.12 O HETATM 2340 O HOH 20 39.239 26.782 56.573 1.00 20.96 O HETATM 2341 O HOH 21 40.235 13.401 34.337 1.00 16.57 O HETATM 2342 O HOH 22 30.989 29.217 38.635 1.00 29.48 O HETATM 2343 O HOH 23 57.446 7.457 30.932 1.00 30.90 O HETATM 2344 O HOH 24 31.347 33.147 42.274 1.00 23.97 O HETATM 2345 O HOH 25 41.923 26.523 55.394 1.00 15.15 O HETATM 2346 O HOH 26 51.417 6.356 39.961 1.00 28.89 O HETATM 2347 O HOH 27 41.215 32.743 60.245 1.00 28.25 O HETATM 2348 O HOH 28 45.836 0.139 43.656 1.00 15.58 O HETATM 2349 O HOH 29 52.332 9.775 29.553 1.00 20.30 O HETATM 2350 O HOH 30 56.652 32.014 34.943 1.00 31.46 O HETATM 2351 O HOH 31 43.638 21.673 31.963 1.00 42.18 O HETATM 2352 O HOH 32 42.466 6.261 35.908 1.00 17.00 O HETATM 2353 O HOH 33 42.218 38.608 36.168 1.00 36.39 O HETATM 2354 O HOH 34 42.030 39.992 47.750 1.00 26.63 O HETATM 2355 O HOH 35 48.524 36.753 30.124 1.00 33.99 O HETATM 2356 O HOH 36 55.607 19.705 26.397 1.00 12.83 O HETATM 2357 O HOH 37 52.882 31.730 31.455 1.00 23.81 O HETATM 2358 O HOH 38 53.704 35.413 31.192 1.00 47.40 O HETATM 2359 O HOH 39 37.540 18.447 60.544 1.00 20.60 O HETATM 2360 O HOH 40 36.404 36.380 37.079 1.00 21.58 O HETATM 2361 O HOH 41 41.579 43.742 40.536 1.00 40.24 O HETATM 2362 O HOH 42 37.963 23.821 56.662 1.00 15.91 O HETATM 2363 O HOH 43 57.112 10.563 52.046 1.00 39.80 O HETATM 2364 O HOH 44 33.966 21.783 56.625 1.00 27.43 O HETATM 2365 O HOH 45 51.905 30.221 29.399 1.00 24.25 O HETATM 2366 O HOH 46 30.499 26.053 50.492 1.00 40.39 O HETATM 2367 O HOH 47 41.626 17.922 59.068 1.00 22.36 O HETATM 2368 O HOH 48 30.793 25.355 40.585 1.00 39.44 O HETATM 2369 O HOH 49 51.570 25.884 54.458 1.00 31.91 O HETATM 2370 O HOH 50 37.111 8.958 46.488 1.00 22.66 O HETATM 2371 O HOH 51 33.662 21.826 38.434 1.00 38.80 O HETATM 2372 O HOH 52 44.338 13.196 54.806 1.00 28.80 O HETATM 2373 O HOH 53 47.793 -0.456 45.408 1.00 46.07 O HETATM 2374 O HOH 54 59.854 13.426 31.172 1.00 48.52 O HETATM 2375 O HOH 55 32.078 10.911 50.916 1.00 27.85 O HETATM 2376 O HOH 56 60.910 24.319 34.613 1.00 25.07 O HETATM 2377 O HOH 57 47.092 20.812 28.044 1.00 26.12 O HETATM 2378 O HOH 58 59.968 23.428 31.275 1.00 26.00 O HETATM 2379 O HOH 59 56.727 16.817 34.276 1.00 15.09 O HETATM 2380 O HOH 60 30.956 35.578 50.770 1.00 23.05 O HETATM 2381 O HOH 61 41.846 21.458 34.113 1.00 19.75 O HETATM 2382 O HOH 62 35.868 44.367 42.952 1.00 20.52 O HETATM 2383 O HOH 63 44.623 20.254 28.637 1.00 26.17 O HETATM 2384 O HOH 64 35.023 45.544 39.910 1.00 19.67 O HETATM 2385 O HOH 65 55.161 30.227 31.546 1.00 29.41 O HETATM 2386 O HOH 66 45.976 22.582 26.060 1.00 23.23 O HETATM 2387 O HOH 67 49.649 9.786 32.596 1.00 20.90 O HETATM 2388 O HOH 68 35.290 36.797 52.136 1.00 24.44 O HETATM 2389 O HOH 69 62.152 23.375 43.908 1.00 47.63 O HETATM 2390 O HOH 70 59.381 10.639 26.971 1.00 19.10 O HETATM 2391 O HOH 71 54.929 7.463 39.516 1.00 30.80 O HETATM 2392 O HOH 72 59.391 15.580 36.554 1.00 27.88 O HETATM 2393 O HOH 73 43.504 3.759 46.420 1.00 20.25 O HETATM 2394 O HOH 74 55.450 5.610 41.575 1.00 46.75 O HETATM 2395 O HOH 75 58.448 30.632 52.143 1.00 40.44 O HETATM 2396 O HOH 76 59.286 12.312 38.763 1.00 48.66 O HETATM 2397 O HOH 77 37.857 6.545 46.151 1.00 21.27 O HETATM 2398 O HOH 78 31.876 17.098 41.204 1.00 45.06 O HETATM 2399 O HOH 79 37.514 43.942 38.708 1.00 39.15 O HETATM 2400 O HOH 80 40.010 9.261 45.034 1.00 20.74 O HETATM 2401 O HOH 81 31.829 24.808 35.336 1.00 52.74 O HETATM 2402 O HOH 82 32.775 34.237 49.200 1.00 35.92 O HETATM 2403 O HOH 83 37.726 35.106 35.119 1.00 24.71 O HETATM 2404 O HOH 84 34.720 14.569 59.951 1.00 30.54 O HETATM 2405 O HOH 85 41.820 8.440 51.816 1.00 24.30 O HETATM 2406 O HOH 86 31.343 11.957 42.754 1.00 8.21 O HETATM 2407 O HOH 87 58.080 8.379 26.314 1.00 23.98 O HETATM 2408 O HOH 88 43.613 22.195 27.394 1.00 30.15 O HETATM 2409 O HOH 89 59.455 14.906 39.364 1.00 22.47 O HETATM 2410 O HOH 90 57.286 10.380 49.300 1.00 43.08 O HETATM 2411 O HOH 91 38.092 37.636 52.628 1.00 22.61 O HETATM 2412 O HOH 92 58.603 28.135 36.054 1.00 32.46 O HETATM 2413 O HOH 93 41.313 38.327 49.680 1.00 41.61 O HETATM 2414 O HOH 94 48.258 40.353 33.592 1.00 30.41 O HETATM 2415 O HOH 95 32.800 15.858 43.378 1.00 38.45 O HETATM 2416 O HOH 96 49.872 4.092 43.312 1.00 30.09 O HETATM 2417 O HOH 97 39.824 40.322 46.025 1.00 26.85 O HETATM 2418 O HOH 98 58.336 33.655 54.482 1.00 53.12 O HETATM 2419 O HOH 99 60.372 17.958 45.775 1.00 29.19 O HETATM 2420 O HOH 100 31.917 31.339 49.557 1.00 34.26 O HETATM 2421 O HOH 101 52.428 26.077 59.246 1.00 35.36 O HETATM 2422 O HOH 102 55.073 11.554 50.485 1.00 36.00 O HETATM 2423 O HOH 103 33.759 16.775 45.373 1.00 26.12 O HETATM 2424 O HOH 104 39.819 33.619 34.916 1.00 25.60 O HETATM 2425 O HOH 105 34.732 31.705 33.831 1.00 25.67 O HETATM 2426 O HOH 106 41.629 32.064 30.766 1.00 28.55 O HETATM 2427 O HOH 107 57.778 17.383 52.106 1.00 40.38 O HETATM 2428 O HOH 108 38.007 36.102 48.694 1.00 22.37 O HETATM 2429 O HOH 109 57.943 21.202 26.755 1.00 22.54 O HETATM 2430 O HOH 110 32.739 15.349 52.853 1.00 21.25 O HETATM 2431 O HOH 111 35.823 18.482 37.296 1.00 27.74 O HETATM 2432 O HOH 112 49.889 23.296 54.761 1.00 20.50 O HETATM 2433 O HOH 113 32.842 16.606 59.971 1.00 25.15 O HETATM 2434 O HOH 114 59.948 11.699 43.211 1.00 28.55 O HETATM 2435 O HOH 115 40.990 3.141 46.902 1.00 27.69 O HETATM 2436 O HOH 116 33.443 10.690 43.250 1.00 24.84 O HETATM 2437 O HOH 117 63.991 16.636 43.560 1.00 54.70 O HETATM 2438 O HOH 118 41.744 19.553 32.260 1.00 25.30 O HETATM 2439 O HOH 119 39.226 39.648 51.310 1.00 31.61 O HETATM 2440 O HOH 120 53.757 8.523 27.645 1.00 31.29 O HETATM 2441 O HOH 121 39.726 33.195 32.189 1.00 28.87 O HETATM 2442 O HOH 122 59.364 19.782 47.647 1.00 29.61 O HETATM 2443 O HOH 123 40.537 5.250 45.723 1.00 24.72 O HETATM 2444 O HOH 124 55.577 12.719 32.509 1.00 30.02 O HETATM 2445 O HOH 125 49.924 8.660 29.968 1.00 30.43 O HETATM 2446 O HOH 126 51.245 15.555 56.038 1.00 29.55 O HETATM 2447 O HOH 127 59.420 18.393 50.257 1.00 35.77 O HETATM 2448 O HOH 128 51.828 38.796 34.663 1.00 34.73 O HETATM 2449 O HOH 129 57.662 29.704 34.050 1.00 42.76 O HETATM 2450 O HOH 130 47.144 30.989 36.594 1.00122.63 O HETATM 2451 O HOH 131 50.041 22.138 62.745 1.00 27.63 O HETATM 2452 O HOH 132 58.727 33.895 37.128 1.00 56.12 O HETATM 2453 O HOH 133 31.915 17.791 46.579 1.00 30.42 O HETATM 2454 O HOH 134 36.707 24.115 35.827 1.00 45.56 O HETATM 2455 O HOH 135 49.111 22.184 58.608 1.00 25.29 O HETATM 2456 O HOH 136 34.361 15.955 37.756 1.00 35.24 O HETATM 2457 O HOH 137 32.418 11.384 56.332 1.00 40.64 O HETATM 2458 O HOH 138 40.866 40.512 37.573 1.00 39.75 O HETATM 2459 O HOH 139 53.652 9.215 50.343 1.00 35.14 O HETATM 2460 O HOH 140 63.828 18.058 32.850 1.00 45.30 O HETATM 2461 O HOH 141 53.435 28.274 28.844 1.00 31.46 O HETATM 2462 O HOH 142 61.864 21.150 31.637 1.00 42.08 O HETATM 2463 O HOH 143 47.349 24.355 24.966 1.00 45.99 O HETATM 2464 O HOH 144 58.797 30.652 36.871 1.00 36.82 O HETATM 2465 O HOH 145 31.275 16.404 36.470 1.00 34.41 O HETATM 2466 O HOH 146 59.283 11.132 29.702 1.00 53.86 O HETATM 2467 O HOH 147 30.349 31.851 54.263 1.00 35.01 O HETATM 2468 O HOH 148 44.735 -2.291 44.979 1.00 37.49 O HETATM 2469 O HOH 149 59.682 9.017 44.528 1.00 27.53 O HETATM 2470 O HOH 150 32.126 21.796 52.146 1.00 34.15 O HETATM 2471 O HOH 151 48.162 31.455 27.539 1.00 38.70 O HETATM 2472 O HOH 152 37.295 14.592 61.488 1.00 34.37 O HETATM 2473 O HOH 153 35.552 34.332 33.676 1.00 35.43 O HETATM 2474 O HOH 154 34.962 22.129 36.049 1.00 35.43 O HETATM 2475 O HOH 155 50.887 31.516 52.814 1.00 32.16 O HETATM 2476 O HOH 156 61.054 31.724 40.517 1.00 33.67 O HETATM 2477 O HOH 157 51.966 28.487 58.290 1.00 33.89 O HETATM 2478 O HOH 158 44.208 12.645 52.200 1.00 32.81 O HETATM 2479 O HOH 159 28.646 36.849 50.848 1.00 66.11 O HETATM 2480 O HOH 160 49.018 37.668 49.133 1.00 40.47 O HETATM 2481 O HOH 161 29.252 23.004 44.663 1.00 49.93 O HETATM 2482 O HOH 162 51.736 24.246 62.361 1.00 32.32 O HETATM 2483 O HOH 163 49.319 4.153 40.259 1.00 51.89 O HETATM 2484 O HOH 164 52.209 4.957 42.273 1.00 68.34 O HETATM 2485 O HOH 165 41.361 22.418 30.797 1.00 49.95 O HETATM 2486 O HOH 166 31.417 36.262 43.836 1.00 43.18 O HETATM 2487 O HOH 167 37.311 40.057 45.799 1.00 42.91 O HETATM 2488 O HOH 168 32.912 19.836 44.912 1.00 48.93 O HETATM 2489 O HOH 169 47.502 17.793 59.774 1.00 43.47 O HETATM 2490 O HOH 170 54.504 12.958 52.728 1.00 41.70 O HETATM 2491 O HOH 171 61.151 26.617 35.859 1.00 46.63 O HETATM 2492 O HOH 172 64.949 30.898 47.406 1.00 53.98 O HETATM 2493 O HOH 173 42.865 27.058 25.590 1.00 94.50 O HETATM 2494 O HOH 174 51.977 20.321 61.490 1.00 60.43 O HETATM 2495 O HOH 175 32.372 26.496 52.313 1.00 36.96 O HETATM 2496 O HOH 176 36.210 27.371 29.517 1.00 60.72 O HETATM 2497 O HOH 177 56.332 5.710 47.074 1.00 49.51 O HETATM 2498 O HOH 178 38.557 20.261 35.897 1.00 14.93 O HETATM 2499 O HOH 179 48.755 1.423 47.860 1.00 47.91 O HETATM 2500 O HOH 180 32.147 13.915 50.326 1.00 26.35 O HETATM 2501 O HOH 181 50.419 30.894 57.923 1.00 21.29 O HETATM 2502 O HOH 182 32.600 14.141 36.436 1.00 30.15 O HETATM 2503 O HOH 183 37.749 42.390 44.709 1.00 35.67 O HETATM 2504 O HOH 184 30.320 17.724 59.558 1.00 61.96 O HETATM 2505 O HOH 185 37.506 22.017 34.888 1.00 33.17 O HETATM 2506 O HOH 186 31.655 15.063 47.735 1.00 31.22 O HETATM 2507 O HOH 187 60.707 34.198 39.247 1.00 41.60 O HETATM 2508 O HOH 188 40.085 31.448 36.212 1.00 82.03 O HETATM 2509 O HOH 189 56.970 35.297 38.550 1.00 38.81 O HETATM 2510 O HOH 190 53.988 39.462 36.776 1.00 45.56 O HETATM 2511 O HOH 191 51.200 32.220 55.610 1.00 45.57 O HETATM 2512 O HOH 192 52.335 28.579 52.782 1.00 39.09 O HETATM 2513 O HOH 193 48.917 28.563 26.412 1.00 40.77 O HETATM 2514 O HOH 194 37.423 5.386 44.056 1.00 40.66 O HETATM 2515 O HOH 195 48.788 44.337 32.696 1.00 48.97 O HETATM 2516 O HOH 196 60.462 26.110 45.333 1.00 84.64 O HETATM 2517 O HOH 197 60.947 34.069 43.823 1.00 43.46 O HETATM 2518 O HOH 198 36.372 6.182 48.272 1.00 49.64 O HETATM 2519 O HOH 199 49.264 39.592 31.204 1.00 58.46 O HETATM 2520 O HOH 200 29.699 32.536 50.707 1.00 51.16 O HETATM 2521 O HOH 201 44.819 25.300 26.258 1.00 49.79 O HETATM 2522 O HOH 202 47.282 26.903 25.385 1.00 42.96 O HETATM 2523 O HOH 203 52.263 37.747 31.862 1.00 40.65 O HETATM 2524 O HOH 204 33.937 19.416 39.559 1.00 53.25 O HETATM 2525 O HOH 205 29.844 38.749 48.718 1.00 45.20 O HETATM 2526 O HOH 206 35.389 35.760 49.369 1.00 39.49 O HETATM 2527 O HOH 207 53.330 14.459 57.185 1.00 58.22 O HETATM 2528 O HOH 208 36.347 8.406 51.987 1.00171.91 O HETATM 2529 O HOH 209 38.302 12.898 60.098 1.00117.25 O HETATM 2530 O HOH 210 30.998 17.430 53.227 1.00 39.10 O HETATM 2531 O HOH 211 50.431 34.766 55.948 1.00 30.44 O HETATM 2532 O HOH 212 50.971 28.116 24.727 1.00 43.89 O HETATM 2533 O HOH 213 63.767 15.426 33.603 1.00 49.47 O HETATM 2534 O HOH 214 49.251 20.987 24.198 1.00 15.83 O HETATM 2535 O HOH 215 64.024 10.507 49.599 1.00 48.27 O HETATM 2536 O HOH 216 69.801 23.334 39.252 1.00 59.30 O HETATM 2537 O HOH 217 52.587 33.854 57.148 1.00 49.98 O HETATM 2538 O HOH 218 60.682 6.895 42.943 1.00 46.06 O HETATM 2539 O HOH 219 57.703 32.262 46.667 1.00 46.45 O HETATM 2540 O HOH 220 30.552 8.595 49.429 1.00 40.42 O HETATM 2541 O HOH 221 28.012 31.691 52.673 1.00 41.25 O HETATM 2542 O HOH 222 49.822 8.053 34.574 1.00 43.04 O HETATM 2543 O HOH 223 33.095 19.386 42.308 1.00 41.39 O HETATM 2544 O HOH 224 55.956 37.874 38.054 1.00 49.45 O HETATM 2545 O HOH 225 32.100 8.073 45.327 1.00 12.63 O HETATM 2546 O HOH 226 60.873 32.104 35.830 1.00 62.62 O HETATM 2547 O HOH 227 35.453 29.550 26.822 1.00 50.08 O HETATM 2548 O HOH 228 57.813 33.091 51.420 1.00 24.29 O HETATM 2549 O HOH 229 34.927 17.938 59.094 1.00 25.53 O HETATM 2550 N1 PRZ A 230 50.222 22.733 42.644 1.00 -0.28 N HETATM 2551 C2 PRZ A 230 50.227 23.422 41.479 1.00 0.09 C HETATM 2552 C3 PRZ A 230 51.399 23.467 40.723 1.00 0.20 C HETATM 2553 N4 PRZ A 230 52.499 22.835 41.181 1.00 -0.26 N HETATM 2554 C5 PRZ A 230 52.475 22.147 42.328 1.00 0.02 C HETATM 2555 C6 PRZ A 230 51.313 22.101 43.085 1.00 0.02 C HETATM 2556 H2 PRZ A 230 51.291 21.558 44.023 1.00 0.08 H HETATM 2557 H1 PRZ A 230 53.363 21.625 42.666 1.00 0.08 H HETATM 2558 O31 PRZ A 230 51.449 24.180 39.554 1.00 -0.30 O HETATM 2559 C31 PRZ A 230 52.630 24.212 38.745 1.00 0.06 C HETATM 2560 H12 PRZ A 230 52.451 24.840 37.859 1.00 0.06 H HETATM 2561 H13 PRZ A 230 52.883 23.190 38.425 1.00 0.06 H HETATM 2562 H14 PRZ A 230 53.463 24.631 39.329 1.00 0.06 H HETATM 2563 C21 PRZ A 230 48.937 24.074 41.014 1.00 0.00 C HETATM 2564 C22 PRZ A 230 48.853 25.579 41.128 1.00 -0.04 C HETATM 2565 C23 PRZ A 230 48.656 26.031 42.568 1.00 -0.06 C HETATM 2566 H6 PRZ A 230 48.601 27.129 42.603 1.00 0.02 H HETATM 2567 H7 PRZ A 230 49.503 25.687 43.179 1.00 0.02 H HETATM 2568 H8 PRZ A 230 47.722 25.604 42.962 1.00 0.02 H HETATM 2569 C24 PRZ A 230 47.678 26.035 40.272 1.00 -0.06 C HETATM 2570 H9 PRZ A 230 47.830 25.704 39.234 1.00 0.02 H HETATM 2571 H10 PRZ A 230 47.608 27.132 40.300 1.00 0.02 H HETATM 2572 H11 PRZ A 230 46.748 25.598 40.664 1.00 0.02 H HETATM 2573 H5 PRZ A 230 49.783 26.023 40.744 1.00 0.03 H HETATM 2574 H3 PRZ A 230 48.116 23.649 41.610 1.00 0.05 H HETATM 2575 H4 PRZ A 230 48.795 23.812 39.955 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 925 926 935 936 937 CONECT 935 925 CONECT 936 925 CONECT 937 925 CONECT 2550 2551 2555 CONECT 2551 2550 2552 2563 CONECT 2552 2551 2553 2558 CONECT 2553 2552 2554 CONECT 2554 2553 2555 2557 CONECT 2555 2550 2554 2556 CONECT 2556 2555 CONECT 2557 2554 CONECT 2558 2552 2559 CONECT 2559 2558 2560 2561 2562 CONECT 2560 2559 CONECT 2561 2559 CONECT 2562 2559 CONECT 2563 2551 2564 2574 2575 CONECT 2564 2563 2565 2569 2573 CONECT 2565 2564 2566 2567 2568 CONECT 2566 2565 CONECT 2567 2565 CONECT 2568 2565 CONECT 2569 2564 2570 2571 2572 CONECT 2570 2569 CONECT 2571 2569 CONECT 2572 2569 CONECT 2573 2564 CONECT 2574 2563 CONECT 2575 2563 MASTER 0 0 0 0 0 0 0 0 2573 2 34 12 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 2nnd
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1qy1
RCSB PDB
PDBbind
174aa, >1QY1_1|Chain... at 96%
1qy2
RCSB PDB
PDBbind
174aa, >1QY2_1|Chain... at 96%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1dzk
RCSB PDB
PDBbind
PRZ
1qy1
RCSB PDB
PDBbind
PRZ
Entry Information
PDB ID
2nnd
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Major urinary protein 2, MUP chimera (MUPcd)
Ligand Name
PRZ
EC.Number
E.C.-.-.-.-
Resolution
1.6(Å)
Affinity (Kd/Ki/IC50)
Kd=0.87uM
Release Year
2007
Protein/NA Sequence
Check fasta file
Primary Reference
(2008) Faseb J. Vol. 22: pp. 1043-1054
Ligand Properties
Formula
C
9
H
1
4
N
2
O
Molecular Weight
166.220
Exact Mass
166.111
No. of atoms
26
No. of bonds
26
Polar Surface Area
35.01
LOGP Value
1.71 (
Computed with XLOGP3
)
1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 0
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 1
Canonical SMILES
COc1nccnc1CC(C)C
InChI String
InChI=1S/C9H14N2O/c1-7(2)6-8-9(12-3)11-5-4-10-8/h4-5,7H,6H2,1-3H3
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):
P02762
P11589
Entrez Gene ID
NCBI Entrez Gene ID:
100038948
100039177
100189605
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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