Browse entries in the PDBbind-CN Database
HEADER 1RNT_COMPLEX COMPND 1RNT_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 104 ALA CYS ASP TYR THR CYS GLY SER ASN CYS TYR SER SER SEQRES 2 A 104 SER ASP VAL SER THR ALA GLN ALA ALA GLY TYR LYS LEU SEQRES 3 A 104 HIS GLU ASP GLY GLU THR VAL GLY SER ASN SER TYR PRO SEQRES 4 A 104 HIS LYS TYR ASN ASN TYR GLU GLY PHE ASP PHE SER VAL SEQRES 5 A 104 SER SER PRO TYR TYR GLU TRP PRO ILE LEU SER SER GLY SEQRES 6 A 104 ASP VAL TYR SER GLY GLY SER PRO GLY ALA ASP ARG VAL SEQRES 7 A 104 VAL PHE ASN GLU ASN ASN GLN LEU ALA GLY VAL ILE THR SEQRES 8 A 104 HIS THR GLY ALA SER GLY ASN ASN PHE VAL GLU CYS THR HET UNN A 196 36 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 6.329 55.491 3.928 1.00 12.99 N ATOM 2 CA ALA A 1 6.108 54.961 5.273 1.00 13.49 C ATOM 3 C ALA A 1 6.716 53.567 5.352 1.00 13.74 C ATOM 4 O ALA A 1 6.958 52.892 4.332 1.00 15.14 O ATOM 5 CB ALA A 1 4.635 54.943 5.617 1.00 15.09 C ATOM 6 HA ALA A 1 6.592 55.607 6.005 1.00 0.00 H ATOM 7 HB1 ALA A 1 4.240 55.958 5.573 1.00 0.00 H ATOM 8 HB2 ALA A 1 4.104 54.314 4.903 1.00 0.00 H ATOM 9 HB3 ALA A 1 4.503 54.544 6.623 1.00 0.00 H ATOM 10 HN3 ALA A 1 5.875 54.866 3.232 1.00 0.00 H ATOM 11 HN2 ALA A 1 7.351 55.538 3.739 1.00 0.00 H ATOM 12 HN1 ALA A 1 5.918 56.444 3.860 1.00 0.00 H ATOM 13 N CYS A 2 6.998 53.085 6.519 1.00 13.64 N ATOM 14 CA CYS A 2 7.590 51.804 6.811 1.00 12.85 C ATOM 15 C CYS A 2 6.653 50.621 6.788 1.00 12.65 C ATOM 16 O CYS A 2 5.597 50.616 7.444 1.00 12.74 O ATOM 17 CB CYS A 2 8.134 51.885 8.268 1.00 13.26 C ATOM 18 SG CYS A 2 9.296 53.176 8.547 1.00 12.46 S ATOM 19 HA CYS A 2 8.332 51.633 6.031 1.00 0.00 H ATOM 20 HB2 CYS A 2 8.616 50.936 8.504 1.00 0.00 H ATOM 21 HB3 CYS A 2 7.288 52.038 8.939 1.00 0.00 H ATOM 22 H CYS A 2 6.773 53.688 7.336 1.00 0.00 H ATOM 23 N ASP A 3 7.076 49.564 6.096 1.00 12.42 N ATOM 24 CA ASP A 3 6.219 48.352 6.096 1.00 11.64 C ATOM 25 C ASP A 3 6.385 47.717 7.481 1.00 11.56 C ATOM 26 O ASP A 3 5.421 47.124 7.976 1.00 13.17 O ATOM 27 CB ASP A 3 6.537 47.363 4.993 1.00 11.78 C ATOM 28 CG ASP A 3 6.076 47.840 3.644 1.00 11.81 C ATOM 29 OD1 ASP A 3 4.869 48.011 3.486 1.00 15.69 O ATOM 30 OD2 ASP A 3 6.894 48.072 2.765 1.00 10.43 O ATOM 31 HA ASP A 3 5.188 48.641 5.894 1.00 0.00 H ATOM 32 HB2 ASP A 3 7.616 47.210 4.960 1.00 0.00 H ATOM 33 HB3 ASP A 3 6.044 46.417 5.218 1.00 0.00 H ATOM 34 H ASP A 3 7.975 49.587 5.574 1.00 0.00 H ATOM 35 N TYR A 4 7.583 47.793 8.038 1.00 10.46 N ATOM 36 CA TYR A 4 7.851 47.217 9.356 1.00 10.15 C ATOM 37 C TYR A 4 8.710 48.227 10.108 1.00 9.44 C ATOM 38 O TYR A 4 9.729 48.632 9.558 1.00 9.65 O ATOM 39 CB TYR A 4 8.665 45.880 9.322 1.00 9.58 C ATOM 40 CG TYR A 4 7.978 44.793 8.519 1.00 9.83 C ATOM 41 CD1 TYR A 4 7.045 43.961 9.141 1.00 10.45 C ATOM 42 CD2 TYR A 4 8.286 44.610 7.187 1.00 10.31 C ATOM 43 CE1 TYR A 4 6.341 42.982 8.414 1.00 11.68 C ATOM 44 CE2 TYR A 4 7.649 43.626 6.437 1.00 11.03 C ATOM 45 CZ TYR A 4 6.702 42.833 7.060 1.00 11.51 C ATOM 46 OH TYR A 4 6.123 41.835 6.334 1.00 13.83 O ATOM 47 HA TYR A 4 6.887 47.000 9.816 1.00 0.00 H ATOM 48 HB3 TYR A 4 8.797 45.527 10.345 1.00 0.00 H ATOM 49 HB2 TYR A 4 9.641 46.077 8.878 1.00 0.00 H ATOM 50 HD2 TYR A 4 9.037 45.244 6.716 1.00 0.00 H ATOM 51 HE2 TYR A 4 7.890 43.483 5.384 1.00 0.00 H ATOM 52 HE1 TYR A 4 5.561 42.374 8.872 1.00 0.00 H ATOM 53 HD1 TYR A 4 6.858 44.071 10.209 1.00 0.00 H ATOM 54 HH TYR A 4 5.470 41.352 6.901 1.00 0.00 H ATOM 55 H TYR A 4 8.351 48.273 7.527 1.00 0.00 H ATOM 56 N THR A 5 8.263 48.550 11.304 1.00 9.33 N ATOM 57 CA THR A 5 9.103 49.511 12.048 1.00 9.64 C ATOM 58 C THR A 5 9.546 48.795 13.327 1.00 10.29 C ATOM 59 O THR A 5 8.702 48.276 14.088 1.00 10.64 O ATOM 60 CB THR A 5 8.572 50.974 12.125 1.00 9.71 C ATOM 61 OG1 THR A 5 8.564 51.251 13.551 1.00 14.83 O ATOM 62 CG2 THR A 5 7.282 51.323 11.437 1.00 3.01 C ATOM 63 HA THR A 5 10.005 49.772 11.494 1.00 0.00 H ATOM 64 HB THR A 5 9.224 51.617 11.534 1.00 0.00 H ATOM 65 HG1 THR A 5 7.967 50.607 14.008 1.00 0.00 H ATOM 66 HG23 THR A 5 7.363 51.089 10.376 1.00 0.00 H ATOM 67 HG21 THR A 5 6.469 50.745 11.877 1.00 0.00 H ATOM 68 HG22 THR A 5 7.082 52.387 11.561 1.00 0.00 H ATOM 69 H THR A 5 7.383 48.157 11.696 1.00 0.00 H ATOM 70 N CYS A 6 10.857 48.654 13.416 1.00 9.32 N ATOM 71 CA CYS A 6 11.576 47.996 14.496 1.00 9.57 C ATOM 72 C CYS A 6 12.259 49.076 15.336 1.00 9.74 C ATOM 73 O CYS A 6 13.444 49.321 15.040 1.00 10.64 O ATOM 74 CB CYS A 6 12.657 47.049 13.966 1.00 8.99 C ATOM 75 SG CYS A 6 12.016 45.680 12.968 1.00 10.98 S ATOM 76 HA CYS A 6 10.864 47.412 15.079 1.00 0.00 H ATOM 77 HB2 CYS A 6 13.193 46.630 14.818 1.00 0.00 H ATOM 78 HB3 CYS A 6 13.348 47.627 13.352 1.00 0.00 H ATOM 79 H CYS A 6 11.428 49.050 12.642 1.00 0.00 H ATOM 80 N GLY A 7 11.557 49.601 16.291 1.00 9.94 N ATOM 81 CA GLY A 7 12.115 50.716 17.115 1.00 11.38 C ATOM 82 C GLY A 7 12.101 51.931 16.119 1.00 11.73 C ATOM 83 O GLY A 7 11.006 52.247 15.688 1.00 12.24 O ATOM 84 HA3 GLY A 7 13.129 50.491 17.445 1.00 0.00 H ATOM 85 HA2 GLY A 7 11.487 50.914 17.984 1.00 0.00 H ATOM 86 H GLY A 7 10.600 49.244 16.485 1.00 0.00 H ATOM 87 N SER A 8 13.260 52.415 15.819 1.00 12.97 N ATOM 88 CA SER A 8 13.671 53.508 14.985 1.00 14.00 C ATOM 89 C SER A 8 14.029 53.080 13.580 1.00 13.79 C ATOM 90 O SER A 8 14.253 53.917 12.682 1.00 14.11 O ATOM 91 CB SER A 8 14.992 54.134 15.587 1.00 14.96 C ATOM 92 OG SER A 8 14.688 54.541 16.933 1.00 17.94 O ATOM 93 HA SER A 8 12.831 54.202 14.950 1.00 0.00 H ATOM 94 HB2 SER A 8 15.302 54.996 14.996 1.00 0.00 H ATOM 95 HB3 SER A 8 15.790 53.392 15.591 1.00 0.00 H ATOM 96 HG SER A 8 15.494 54.940 17.346 1.00 0.00 H ATOM 97 H SER A 8 14.051 51.914 16.271 1.00 0.00 H ATOM 98 N ASN A 9 14.162 51.761 13.408 1.00 13.19 N ATOM 99 CA ASN A 9 14.544 51.262 12.043 1.00 11.83 C ATOM 100 C ASN A 9 13.310 50.977 11.199 1.00 11.14 C ATOM 101 O ASN A 9 12.380 50.345 11.677 1.00 10.51 O ATOM 102 CB ASN A 9 15.436 50.036 12.216 1.00 12.28 C ATOM 103 CG ASN A 9 16.775 50.392 12.810 1.00 12.80 C ATOM 104 OD1 ASN A 9 17.329 51.478 12.637 1.00 11.55 O ATOM 105 ND2 ASN A 9 17.336 49.393 13.507 1.00 10.77 N ATOM 106 HA ASN A 9 15.101 52.026 11.501 1.00 0.00 H ATOM 107 HB2 ASN A 9 14.936 49.326 12.875 1.00 0.00 H ATOM 108 HB3 ASN A 9 15.594 49.575 11.241 1.00 0.00 H ATOM 109 HD22 ASN A 9 16.829 48.493 13.626 1.00 0.00 H ATOM 110 HD21 ASN A 9 18.278 49.518 13.928 1.00 0.00 H ATOM 111 H ASN A 9 14.006 51.100 14.195 1.00 0.00 H ATOM 112 N CYS A 10 13.312 51.407 9.971 1.00 11.14 N ATOM 113 CA CYS A 10 12.302 51.341 8.955 1.00 9.97 C ATOM 114 C CYS A 10 12.633 50.388 7.838 1.00 9.14 C ATOM 115 O CYS A 10 13.670 50.581 7.153 1.00 10.38 O ATOM 116 CB CYS A 10 12.237 52.789 8.323 1.00 11.34 C ATOM 117 SG CYS A 10 10.803 52.986 7.276 1.00 12.60 S ATOM 118 HA CYS A 10 11.374 50.996 9.410 1.00 0.00 H ATOM 119 HB2 CYS A 10 13.135 52.956 7.728 1.00 0.00 H ATOM 120 HB3 CYS A 10 12.192 53.524 9.126 1.00 0.00 H ATOM 121 H CYS A 10 14.192 51.877 9.677 1.00 0.00 H ATOM 122 N TYR A 11 11.763 49.447 7.587 1.00 8.49 N ATOM 123 CA TYR A 11 11.956 48.457 6.511 1.00 8.44 C ATOM 124 C TYR A 11 10.742 48.376 5.571 1.00 8.51 C ATOM 125 O TYR A 11 9.622 48.483 6.087 1.00 9.96 O ATOM 126 CB TYR A 11 12.158 47.015 7.087 1.00 7.20 C ATOM 127 CG TYR A 11 13.337 46.955 8.028 1.00 6.81 C ATOM 128 CD1 TYR A 11 13.156 46.699 9.398 1.00 6.07 C ATOM 129 CD2 TYR A 11 14.622 47.198 7.544 1.00 6.48 C ATOM 130 CE1 TYR A 11 14.262 46.706 10.254 1.00 3.74 C ATOM 131 CE2 TYR A 11 15.713 47.182 8.379 1.00 5.28 C ATOM 132 CZ TYR A 11 15.528 46.954 9.743 1.00 5.99 C ATOM 133 OH TYR A 11 16.657 46.918 10.474 1.00 4.39 O ATOM 134 HA TYR A 11 12.839 48.794 5.969 1.00 0.00 H ATOM 135 HB3 TYR A 11 12.328 46.324 6.261 1.00 0.00 H ATOM 136 HB2 TYR A 11 11.258 46.720 7.627 1.00 0.00 H ATOM 137 HD2 TYR A 11 14.764 47.405 6.483 1.00 0.00 H ATOM 138 HE2 TYR A 11 16.714 47.346 7.980 1.00 0.00 H ATOM 139 HE1 TYR A 11 14.130 46.517 11.319 1.00 0.00 H ATOM 140 HD1 TYR A 11 12.160 46.496 9.791 1.00 0.00 H ATOM 141 HH TYR A 11 16.429 46.752 11.423 1.00 0.00 H ATOM 142 H TYR A 11 10.902 49.394 8.168 1.00 0.00 H ATOM 143 N SER A 12 11.016 48.264 4.297 1.00 9.06 N ATOM 144 CA SER A 12 10.015 48.038 3.258 1.00 9.36 C ATOM 145 C SER A 12 9.969 46.486 3.137 1.00 9.64 C ATOM 146 O SER A 12 10.871 45.779 3.632 1.00 9.33 O ATOM 147 CB SER A 12 10.388 48.611 1.919 1.00 9.19 C ATOM 148 OG SER A 12 11.596 48.015 1.377 1.00 10.82 O ATOM 149 HA SER A 12 9.074 48.518 3.525 1.00 0.00 H ATOM 150 HB2 SER A 12 10.546 49.684 2.029 1.00 0.00 H ATOM 151 HB3 SER A 12 9.568 48.435 1.222 1.00 0.00 H ATOM 152 HG SER A 12 11.799 48.424 0.498 1.00 0.00 H ATOM 153 H SER A 12 12.011 48.341 4.005 1.00 0.00 H ATOM 154 N SER A 13 8.997 45.979 2.440 1.00 9.82 N ATOM 155 CA SER A 13 8.788 44.589 2.085 1.00 10.77 C ATOM 156 C SER A 13 9.984 44.056 1.293 1.00 10.39 C ATOM 157 O SER A 13 10.357 42.878 1.457 1.00 10.88 O ATOM 158 CB SER A 13 7.529 44.465 1.153 1.00 11.22 C ATOM 159 OG SER A 13 6.474 44.636 2.127 1.00 16.19 O ATOM 160 HA SER A 13 8.655 44.023 3.007 1.00 0.00 H ATOM 161 HB2 SER A 13 7.479 43.490 0.669 1.00 0.00 H ATOM 162 HB3 SER A 13 7.509 45.247 0.394 1.00 0.00 H ATOM 163 HG SER A 13 6.567 45.521 2.561 1.00 0.00 H ATOM 164 H SER A 13 8.283 46.651 2.095 1.00 0.00 H ATOM 165 N SER A 14 10.541 44.887 0.446 1.00 10.13 N ATOM 166 CA SER A 14 11.683 44.586 -0.400 1.00 9.58 C ATOM 167 C SER A 14 12.882 44.338 0.521 1.00 8.51 C ATOM 168 O SER A 14 13.657 43.424 0.249 1.00 7.92 O ATOM 169 CB SER A 14 11.989 45.633 -1.484 1.00 12.17 C ATOM 170 OG SER A 14 12.077 46.947 -0.881 1.00 10.92 O ATOM 171 HA SER A 14 11.444 43.698 -0.985 1.00 0.00 H ATOM 172 HB2 SER A 14 11.193 45.628 -2.228 1.00 0.00 H ATOM 173 HB3 SER A 14 12.936 45.391 -1.966 1.00 0.00 H ATOM 174 HG SER A 14 11.216 47.167 -0.445 1.00 0.00 H ATOM 175 H SER A 14 10.132 45.840 0.374 1.00 0.00 H ATOM 176 N ASP A 15 13.069 45.136 1.550 1.00 8.57 N ATOM 177 CA ASP A 15 14.208 44.940 2.457 1.00 8.71 C ATOM 178 C ASP A 15 14.115 43.529 3.105 1.00 9.04 C ATOM 179 O ASP A 15 15.118 42.850 3.395 1.00 7.63 O ATOM 180 CB ASP A 15 14.167 45.940 3.619 1.00 9.22 C ATOM 181 CG ASP A 15 14.401 47.388 3.169 1.00 10.03 C ATOM 182 OD1 ASP A 15 15.160 47.521 2.204 1.00 9.52 O ATOM 183 OD2 ASP A 15 13.904 48.256 3.913 1.00 10.26 O ATOM 184 HA ASP A 15 15.117 45.068 1.870 1.00 0.00 H ATOM 185 HB2 ASP A 15 13.190 45.878 4.097 1.00 0.00 H ATOM 186 HB3 ASP A 15 14.940 45.670 4.338 1.00 0.00 H ATOM 187 H ASP A 15 12.402 45.915 1.724 1.00 0.00 H ATOM 188 N VAL A 16 12.884 43.249 3.460 1.00 8.08 N ATOM 189 CA VAL A 16 12.579 41.984 4.162 1.00 9.11 C ATOM 190 C VAL A 16 12.766 40.795 3.212 1.00 9.28 C ATOM 191 O VAL A 16 13.315 39.746 3.591 1.00 8.78 O ATOM 192 CB VAL A 16 11.163 42.077 4.767 1.00 9.70 C ATOM 193 CG1 VAL A 16 10.628 40.724 5.219 1.00 8.15 C ATOM 194 CG2 VAL A 16 11.036 43.083 5.898 1.00 8.38 C ATOM 195 HA VAL A 16 13.272 41.819 4.987 1.00 0.00 H ATOM 196 HB VAL A 16 10.549 42.440 3.943 1.00 0.00 H ATOM 197 HG11 VAL A 16 10.584 40.048 4.365 1.00 0.00 H ATOM 198 HG12 VAL A 16 11.290 40.308 5.979 1.00 0.00 H ATOM 199 HG13 VAL A 16 9.629 40.851 5.636 1.00 0.00 H ATOM 200 HG21 VAL A 16 11.713 42.807 6.706 1.00 0.00 H ATOM 201 HG22 VAL A 16 11.294 44.076 5.530 1.00 0.00 H ATOM 202 HG23 VAL A 16 10.010 43.086 6.267 1.00 0.00 H ATOM 203 H VAL A 16 12.119 43.920 3.247 1.00 0.00 H ATOM 204 N SER A 17 12.319 40.907 1.976 1.00 8.48 N ATOM 205 CA SER A 17 12.440 39.810 1.043 1.00 9.94 C ATOM 206 C SER A 17 13.913 39.564 0.748 1.00 9.72 C ATOM 207 O SER A 17 14.360 38.419 0.518 1.00 8.71 O ATOM 208 CB SER A 17 11.721 40.053 -0.275 1.00 11.60 C ATOM 209 OG SER A 17 10.437 40.548 -0.107 1.00 16.57 O ATOM 210 HA SER A 17 11.971 38.947 1.516 1.00 0.00 H ATOM 211 HB2 SER A 17 11.662 39.110 -0.818 1.00 0.00 H ATOM 212 HB3 SER A 17 12.297 40.771 -0.858 1.00 0.00 H ATOM 213 HG SER A 17 10.478 41.410 0.378 1.00 0.00 H ATOM 214 H SER A 17 11.874 41.796 1.669 1.00 0.00 H ATOM 215 N THR A 18 14.668 40.640 0.720 1.00 9.28 N ATOM 216 CA THR A 18 16.099 40.535 0.383 1.00 9.09 C ATOM 217 C THR A 18 16.894 39.798 1.438 1.00 8.52 C ATOM 218 O THR A 18 17.685 38.910 1.000 1.00 9.50 O ATOM 219 CB THR A 18 16.684 41.932 -0.033 1.00 9.35 C ATOM 220 OG1 THR A 18 16.022 42.292 -1.284 1.00 12.54 O ATOM 221 CG2 THR A 18 18.203 41.889 -0.299 1.00 10.75 C ATOM 222 HA THR A 18 16.196 39.903 -0.500 1.00 0.00 H ATOM 223 HB THR A 18 16.516 42.642 0.776 1.00 0.00 H ATOM 224 HG1 THR A 18 16.357 43.171 -1.592 1.00 0.00 H ATOM 225 HG23 THR A 18 18.724 41.622 0.620 1.00 0.00 H ATOM 226 HG21 THR A 18 18.415 41.146 -1.067 1.00 0.00 H ATOM 227 HG22 THR A 18 18.539 42.869 -0.637 1.00 0.00 H ATOM 228 H THR A 18 14.254 41.569 0.937 1.00 0.00 H ATOM 229 N ALA A 19 16.709 40.118 2.688 1.00 7.98 N ATOM 230 CA ALA A 19 17.325 39.544 3.907 1.00 4.29 C ATOM 231 C ALA A 19 16.985 38.048 3.989 1.00 7.62 C ATOM 232 O ALA A 19 17.792 37.172 4.285 1.00 7.21 O ATOM 233 CB ALA A 19 16.817 40.289 5.147 1.00 4.95 C ATOM 234 HA ALA A 19 18.408 39.656 3.863 1.00 0.00 H ATOM 235 HB1 ALA A 19 17.083 41.343 5.070 1.00 0.00 H ATOM 236 HB2 ALA A 19 15.733 40.190 5.210 1.00 0.00 H ATOM 237 HB3 ALA A 19 17.274 39.861 6.039 1.00 0.00 H ATOM 238 H ALA A 19 16.030 40.888 2.854 1.00 0.00 H ATOM 239 N GLN A 20 15.697 37.773 3.808 1.00 7.97 N ATOM 240 CA GLN A 20 15.069 36.480 3.849 1.00 9.43 C ATOM 241 C GLN A 20 15.656 35.613 2.742 1.00 9.37 C ATOM 242 O GLN A 20 16.090 34.483 3.081 1.00 10.77 O ATOM 243 CB GLN A 20 13.559 36.555 3.792 1.00 11.07 C ATOM 244 CG GLN A 20 12.798 35.252 3.972 1.00 12.04 C ATOM 245 CD GLN A 20 11.323 35.300 3.742 1.00 11.61 C ATOM 246 OE1 GLN A 20 10.702 34.246 3.568 1.00 13.34 O ATOM 247 NE2 GLN A 20 10.667 36.440 3.623 1.00 11.77 N ATOM 248 HA GLN A 20 15.283 36.018 4.813 1.00 0.00 H ATOM 249 HB2 GLN A 20 13.233 37.238 4.577 1.00 0.00 H ATOM 250 HB3 GLN A 20 13.286 36.964 2.819 1.00 0.00 H ATOM 251 HG2 GLN A 20 13.218 34.525 3.277 1.00 0.00 H ATOM 252 HG3 GLN A 20 12.962 34.912 4.994 1.00 0.00 H ATOM 253 HE22 GLN A 20 11.164 37.343 3.764 1.00 0.00 H ATOM 254 HE21 GLN A 20 9.654 36.435 3.388 1.00 0.00 H ATOM 255 H GLN A 20 15.074 38.583 3.615 1.00 0.00 H ATOM 256 N ALA A 21 15.736 36.059 1.523 1.00 9.32 N ATOM 257 CA ALA A 21 16.319 35.226 0.472 1.00 9.43 C ATOM 258 C ALA A 21 17.736 34.774 0.852 1.00 9.59 C ATOM 259 O ALA A 21 18.097 33.575 0.635 1.00 10.74 O ATOM 260 CB ALA A 21 16.325 35.933 -0.875 1.00 9.24 C ATOM 261 HA ALA A 21 15.688 34.342 0.375 1.00 0.00 H ATOM 262 HB1 ALA A 21 15.302 36.177 -1.160 1.00 0.00 H ATOM 263 HB2 ALA A 21 16.911 36.849 -0.800 1.00 0.00 H ATOM 264 HB3 ALA A 21 16.767 35.278 -1.626 1.00 0.00 H ATOM 265 H ALA A 21 15.384 37.011 1.295 1.00 0.00 H ATOM 266 N ALA A 22 18.492 35.648 1.474 1.00 9.38 N ATOM 267 CA ALA A 22 19.887 35.465 1.905 1.00 9.10 C ATOM 268 C ALA A 22 19.996 34.416 3.018 1.00 8.75 C ATOM 269 O ALA A 22 20.714 33.395 2.878 1.00 9.13 O ATOM 270 CB ALA A 22 20.463 36.826 2.283 1.00 7.96 C ATOM 271 HA ALA A 22 20.487 35.066 1.087 1.00 0.00 H ATOM 272 HB1 ALA A 22 20.425 37.488 1.418 1.00 0.00 H ATOM 273 HB2 ALA A 22 19.876 37.254 3.096 1.00 0.00 H ATOM 274 HB3 ALA A 22 21.497 36.705 2.605 1.00 0.00 H ATOM 275 H ALA A 22 18.058 36.569 1.685 1.00 0.00 H ATOM 276 N GLY A 23 19.224 34.544 4.042 1.00 7.88 N ATOM 277 CA GLY A 23 19.057 33.729 5.224 1.00 8.49 C ATOM 278 C GLY A 23 18.653 32.315 4.812 1.00 9.49 C ATOM 279 O GLY A 23 19.219 31.324 5.227 1.00 10.15 O ATOM 280 HA3 GLY A 23 18.281 34.160 5.856 1.00 0.00 H ATOM 281 HA2 GLY A 23 19.996 33.693 5.777 1.00 0.00 H ATOM 282 H GLY A 23 18.612 35.384 4.013 1.00 0.00 H ATOM 283 N TYR A 24 17.683 32.179 3.931 1.00 9.43 N ATOM 284 CA TYR A 24 17.213 30.910 3.465 1.00 9.96 C ATOM 285 C TYR A 24 18.196 30.146 2.608 1.00 9.34 C ATOM 286 O TYR A 24 18.272 28.922 2.751 1.00 8.77 O ATOM 287 CB TYR A 24 15.870 31.092 2.697 1.00 12.95 C ATOM 288 CG TYR A 24 15.248 29.745 2.437 1.00 13.77 C ATOM 289 CD1 TYR A 24 15.297 29.158 1.174 1.00 16.07 C ATOM 290 CD2 TYR A 24 14.645 29.090 3.517 1.00 15.24 C ATOM 291 CE1 TYR A 24 14.698 27.881 1.006 1.00 18.19 C ATOM 292 CE2 TYR A 24 14.046 27.845 3.367 1.00 16.74 C ATOM 293 CZ TYR A 24 14.070 27.270 2.095 1.00 18.34 C ATOM 294 OH TYR A 24 13.451 26.040 1.973 1.00 20.36 O ATOM 295 HA TYR A 24 17.071 30.303 4.359 1.00 0.00 H ATOM 296 HB3 TYR A 24 16.060 31.593 1.748 1.00 0.00 H ATOM 297 HB2 TYR A 24 15.189 31.697 3.296 1.00 0.00 H ATOM 298 HD2 TYR A 24 14.645 29.567 4.497 1.00 0.00 H ATOM 299 HE2 TYR A 24 13.576 27.337 4.209 1.00 0.00 H ATOM 300 HE1 TYR A 24 14.728 27.382 0.037 1.00 0.00 H ATOM 301 HD1 TYR A 24 15.781 29.664 0.339 1.00 0.00 H ATOM 302 HH TYR A 24 12.496 26.127 2.218 1.00 0.00 H ATOM 303 H TYR A 24 17.235 33.039 3.554 1.00 0.00 H ATOM 304 N LYS A 25 18.978 30.785 1.745 1.00 10.61 N ATOM 305 CA LYS A 25 19.960 30.041 0.940 1.00 11.75 C ATOM 306 C LYS A 25 21.081 29.548 1.852 1.00 12.00 C ATOM 307 O LYS A 25 21.630 28.435 1.645 1.00 12.64 O ATOM 308 CB LYS A 25 20.451 30.747 -0.279 1.00 15.20 C ATOM 309 CG LYS A 25 21.935 31.077 -0.353 1.00 18.92 C ATOM 310 CD LYS A 25 22.158 32.266 0.629 1.00 22.40 C ATOM 311 CE LYS A 25 22.962 33.387 -0.045 1.00 22.82 C ATOM 312 NZ LYS A 25 23.419 34.301 1.056 1.00 23.62 N ATOM 313 HA LYS A 25 19.442 29.183 0.512 1.00 0.00 H ATOM 314 HB2 LYS A 25 20.213 30.119 -1.138 1.00 0.00 H ATOM 315 HB3 LYS A 25 19.904 31.687 -0.355 1.00 0.00 H ATOM 316 HG2 LYS A 25 22.531 30.216 -0.048 1.00 0.00 H ATOM 317 HG3 LYS A 25 22.209 31.366 -1.368 1.00 0.00 H ATOM 318 HD2 LYS A 25 21.190 32.658 0.941 1.00 0.00 H ATOM 319 HD3 LYS A 25 22.704 31.910 1.503 1.00 0.00 H ATOM 320 HE2 LYS A 25 22.333 33.931 -0.750 1.00 0.00 H ATOM 321 HE3 LYS A 25 23.821 32.971 -0.571 1.00 0.00 H ATOM 322 HZ1 LYS A 25 22.590 34.684 1.554 1.00 0.00 H ATOM 323 HZ2 LYS A 25 24.011 33.768 1.725 1.00 0.00 H ATOM 324 HZ3 LYS A 25 23.972 35.082 0.649 1.00 0.00 H ATOM 325 H LYS A 25 18.896 31.816 1.638 1.00 0.00 H ATOM 326 N LEU A 26 21.480 30.260 2.878 1.00 10.89 N ATOM 327 CA LEU A 26 22.532 29.731 3.770 1.00 10.28 C ATOM 328 C LEU A 26 21.937 28.550 4.534 1.00 9.69 C ATOM 329 O LEU A 26 22.649 27.587 4.852 1.00 9.50 O ATOM 330 CB LEU A 26 23.059 30.815 4.682 1.00 10.96 C ATOM 331 CG LEU A 26 24.313 31.587 4.391 1.00 13.58 C ATOM 332 CD1 LEU A 26 23.958 33.079 4.408 1.00 12.91 C ATOM 333 CD2 LEU A 26 25.146 31.438 5.714 1.00 15.56 C ATOM 334 HA LEU A 26 23.393 29.386 3.198 1.00 0.00 H ATOM 335 HB2 LEU A 26 22.262 31.554 4.763 1.00 0.00 H ATOM 336 HB3 LEU A 26 23.214 30.343 5.652 1.00 0.00 H ATOM 337 HG LEU A 26 24.788 31.265 3.464 1.00 0.00 H ATOM 338 HD21 LEU A 26 24.582 31.858 6.546 1.00 0.00 H ATOM 339 HD22 LEU A 26 25.341 30.382 5.902 1.00 0.00 H ATOM 340 HD23 LEU A 26 26.091 31.970 5.609 1.00 0.00 H ATOM 341 HD11 LEU A 26 23.204 33.280 3.647 1.00 0.00 H ATOM 342 HD12 LEU A 26 23.567 33.347 5.389 1.00 0.00 H ATOM 343 HD13 LEU A 26 24.852 33.666 4.199 1.00 0.00 H ATOM 344 H LEU A 26 21.058 31.192 3.063 1.00 0.00 H ATOM 345 N HIS A 27 20.664 28.649 4.888 1.00 9.06 N ATOM 346 CA HIS A 27 19.984 27.570 5.617 1.00 9.60 C ATOM 347 C HIS A 27 19.960 26.295 4.753 1.00 10.31 C ATOM 348 O HIS A 27 20.262 25.159 5.226 1.00 10.01 O ATOM 349 CB HIS A 27 18.530 28.011 5.979 1.00 9.60 C ATOM 350 CG HIS A 27 17.768 26.815 6.514 1.00 9.75 C ATOM 351 ND1 HIS A 27 16.714 26.166 5.899 1.00 10.34 N ATOM 352 CD2 HIS A 27 17.997 26.207 7.707 1.00 8.25 C ATOM 353 CE1 HIS A 27 16.331 25.185 6.707 1.00 9.67 C ATOM 354 NE2 HIS A 27 17.103 25.171 7.805 1.00 9.90 N ATOM 355 HA HIS A 27 20.525 27.359 6.540 1.00 0.00 H ATOM 356 HB2 HIS A 27 18.564 28.792 6.738 1.00 0.00 H ATOM 357 HB3 HIS A 27 18.032 28.393 5.088 1.00 0.00 H ATOM 358 HD2 HIS A 27 18.748 26.489 8.445 1.00 0.00 H ATOM 359 HE1 HIS A 27 15.512 24.494 6.509 1.00 0.00 H ATOM 360 H HIS A 27 20.134 29.510 4.644 1.00 0.00 H ATOM 361 N GLU A 28 19.553 26.412 3.509 1.00 10.71 N ATOM 362 CA GLU A 28 19.523 25.304 2.551 1.00 11.97 C ATOM 363 C GLU A 28 20.951 24.759 2.335 1.00 12.32 C ATOM 364 O GLU A 28 21.106 23.529 2.176 1.00 12.46 O ATOM 365 CB GLU A 28 19.023 25.632 1.188 1.00 14.65 C ATOM 366 CG GLU A 28 17.729 26.351 0.804 1.00 22.24 C ATOM 367 CD GLU A 28 17.950 26.876 -0.627 1.00 26.42 C ATOM 368 OE1 GLU A 28 17.161 27.303 -1.436 1.00 29.13 O ATOM 369 OE2 GLU A 28 19.206 26.756 -0.863 1.00 28.86 O ATOM 370 HA GLU A 28 18.831 24.596 3.007 1.00 0.00 H ATOM 371 HB2 GLU A 28 19.815 26.233 0.741 1.00 0.00 H ATOM 372 HB3 GLU A 28 18.966 24.671 0.677 1.00 0.00 H ATOM 373 HG2 GLU A 28 16.888 25.658 0.829 1.00 0.00 H ATOM 374 HG3 GLU A 28 17.537 27.179 1.487 1.00 0.00 H ATOM 375 H GLU A 28 19.233 27.347 3.185 1.00 0.00 H ATOM 376 N ASP A 29 21.957 25.583 2.323 1.00 12.28 N ATOM 377 CA ASP A 29 23.346 25.183 2.146 1.00 12.38 C ATOM 378 C ASP A 29 23.967 24.713 3.452 1.00 12.54 C ATOM 379 O ASP A 29 25.110 24.201 3.367 1.00 13.73 O ATOM 380 CB ASP A 29 24.206 26.276 1.519 1.00 14.80 C ATOM 381 CG ASP A 29 23.845 26.583 0.093 1.00 17.05 C ATOM 382 OD1 ASP A 29 23.066 25.879 -0.546 1.00 18.16 O ATOM 383 OD2 ASP A 29 24.369 27.639 -0.374 1.00 19.92 O ATOM 384 HA ASP A 29 23.324 24.346 1.448 1.00 0.00 H ATOM 385 HB2 ASP A 29 24.090 27.186 2.108 1.00 0.00 H ATOM 386 HB3 ASP A 29 25.247 25.955 1.550 1.00 0.00 H ATOM 387 H ASP A 29 21.756 26.596 2.448 1.00 0.00 H ATOM 388 N GLY A 30 23.366 24.814 4.581 1.00 11.75 N ATOM 389 CA GLY A 30 23.948 24.387 5.846 1.00 12.67 C ATOM 390 C GLY A 30 25.163 25.193 6.244 1.00 13.41 C ATOM 391 O GLY A 30 26.073 24.699 6.965 1.00 13.10 O ATOM 392 HA3 GLY A 30 24.240 23.340 5.758 1.00 0.00 H ATOM 393 HA2 GLY A 30 23.194 24.488 6.626 1.00 0.00 H ATOM 394 H GLY A 30 22.410 25.224 4.594 1.00 0.00 H ATOM 395 N GLU A 31 25.144 26.439 5.794 1.00 13.69 N ATOM 396 CA GLU A 31 26.188 27.435 6.074 1.00 14.28 C ATOM 397 C GLU A 31 25.631 28.401 7.116 1.00 13.85 C ATOM 398 O GLU A 31 24.432 28.694 7.248 1.00 12.79 O ATOM 399 CB GLU A 31 26.710 28.141 4.826 1.00 16.80 C ATOM 400 CG GLU A 31 27.855 27.452 4.117 1.00 21.22 C ATOM 401 CD GLU A 31 28.003 27.309 2.654 1.00 23.67 C ATOM 402 OE1 GLU A 31 29.069 27.042 2.079 1.00 25.01 O ATOM 403 OE2 GLU A 31 26.966 27.424 1.956 1.00 26.15 O ATOM 404 HA GLU A 31 27.071 26.931 6.466 1.00 0.00 H ATOM 405 HB2 GLU A 31 25.884 28.231 4.121 1.00 0.00 H ATOM 406 HB3 GLU A 31 27.046 29.136 5.119 1.00 0.00 H ATOM 407 HG2 GLU A 31 28.753 27.974 4.447 1.00 0.00 H ATOM 408 HG3 GLU A 31 27.864 26.434 4.507 1.00 0.00 H ATOM 409 H GLU A 31 24.338 26.731 5.205 1.00 0.00 H ATOM 410 N THR A 32 26.568 28.855 7.944 1.00 13.64 N ATOM 411 CA THR A 32 26.274 29.799 9.046 1.00 14.47 C ATOM 412 C THR A 32 27.157 31.012 8.982 1.00 14.43 C ATOM 413 O THR A 32 28.370 30.941 8.593 1.00 14.33 O ATOM 414 CB THR A 32 26.573 28.902 10.340 1.00 15.67 C ATOM 415 OG1 THR A 32 25.304 28.612 10.975 1.00 19.29 O ATOM 416 CG2 THR A 32 27.682 29.417 11.165 1.00 16.21 C ATOM 417 HA THR A 32 25.262 30.204 9.025 1.00 0.00 H ATOM 418 HB THR A 32 26.998 27.933 10.080 1.00 0.00 H ATOM 419 HG1 THR A 32 25.458 28.057 11.780 1.00 0.00 H ATOM 420 HG23 THR A 32 28.556 29.580 10.535 1.00 0.00 H ATOM 421 HG21 THR A 32 27.384 30.359 11.626 1.00 0.00 H ATOM 422 HG22 THR A 32 27.923 28.691 11.942 1.00 0.00 H ATOM 423 H THR A 32 27.548 28.533 7.812 1.00 0.00 H ATOM 424 N VAL A 33 26.696 32.183 9.404 1.00 14.02 N ATOM 425 CA VAL A 33 27.629 33.341 9.422 1.00 13.83 C ATOM 426 C VAL A 33 27.491 34.076 10.762 1.00 12.93 C ATOM 427 O VAL A 33 26.413 34.131 11.313 1.00 11.03 O ATOM 428 CB VAL A 33 27.432 34.268 8.222 1.00 14.68 C ATOM 429 CG1 VAL A 33 26.540 35.456 8.384 1.00 14.93 C ATOM 430 CG2 VAL A 33 28.833 34.691 7.781 1.00 16.22 C ATOM 431 HA VAL A 33 28.650 32.971 9.330 1.00 0.00 H ATOM 432 HB VAL A 33 26.880 33.695 7.477 1.00 0.00 H ATOM 433 HG11 VAL A 33 25.537 35.122 8.649 1.00 0.00 H ATOM 434 HG12 VAL A 33 26.931 36.098 9.174 1.00 0.00 H ATOM 435 HG13 VAL A 33 26.504 36.012 7.447 1.00 0.00 H ATOM 436 HG21 VAL A 33 29.330 35.209 8.601 1.00 0.00 H ATOM 437 HG22 VAL A 33 29.408 33.807 7.506 1.00 0.00 H ATOM 438 HG23 VAL A 33 28.756 35.358 6.922 1.00 0.00 H ATOM 439 H VAL A 33 25.709 32.288 9.714 1.00 0.00 H ATOM 440 N GLY A 34 28.602 34.661 11.194 1.00 13.69 N ATOM 441 CA GLY A 34 28.504 35.476 12.458 1.00 13.50 C ATOM 442 C GLY A 34 28.824 34.620 13.663 1.00 14.04 C ATOM 443 O GLY A 34 28.791 33.394 13.600 1.00 13.64 O ATOM 444 HA3 GLY A 34 27.492 35.869 12.555 1.00 0.00 H ATOM 445 HA2 GLY A 34 29.211 36.304 12.407 1.00 0.00 H ATOM 446 H GLY A 34 29.502 34.561 10.682 1.00 0.00 H ATOM 447 N SER A 35 29.114 35.317 14.774 1.00 14.35 N ATOM 448 CA SER A 35 29.467 34.704 16.036 1.00 14.43 C ATOM 449 C SER A 35 28.267 33.999 16.659 1.00 13.85 C ATOM 450 O SER A 35 28.514 33.240 17.606 1.00 14.17 O ATOM 451 CB SER A 35 29.994 35.694 17.105 1.00 16.00 C ATOM 452 OG SER A 35 31.367 35.989 16.772 1.00 20.67 O ATOM 453 HA SER A 35 30.266 34.010 15.774 1.00 0.00 H ATOM 454 HB2 SER A 35 29.938 35.240 18.095 1.00 0.00 H ATOM 455 HB3 SER A 35 29.401 36.609 17.092 1.00 0.00 H ATOM 456 HG SER A 35 31.738 36.622 17.437 1.00 0.00 H ATOM 457 H SER A 35 29.083 36.355 14.724 1.00 0.00 H ATOM 458 N ASN A 36 27.096 34.409 16.222 1.00 12.53 N ATOM 459 CA ASN A 36 25.856 33.815 16.740 1.00 12.26 C ATOM 460 C ASN A 36 25.439 32.679 15.776 1.00 10.83 C ATOM 461 O ASN A 36 24.374 32.128 15.983 1.00 9.87 O ATOM 462 CB ASN A 36 24.672 34.788 16.897 1.00 12.82 C ATOM 463 CG ASN A 36 24.994 35.911 17.868 1.00 14.59 C ATOM 464 OD1 ASN A 36 24.175 36.850 18.022 1.00 16.30 O ATOM 465 ND2 ASN A 36 26.163 35.777 18.504 1.00 13.20 N ATOM 466 HA ASN A 36 26.080 33.467 17.748 1.00 0.00 H ATOM 467 HB2 ASN A 36 24.436 35.219 15.924 1.00 0.00 H ATOM 468 HB3 ASN A 36 23.808 34.237 17.268 1.00 0.00 H ATOM 469 HD22 ASN A 36 26.773 34.958 18.305 1.00 0.00 H ATOM 470 HD21 ASN A 36 26.462 36.491 19.198 1.00 0.00 H ATOM 471 H ASN A 36 27.047 35.160 15.504 1.00 0.00 H ATOM 472 N SER A 37 26.208 32.484 14.738 1.00 10.25 N ATOM 473 CA SER A 37 25.896 31.455 13.749 1.00 10.71 C ATOM 474 C SER A 37 24.485 31.559 13.164 1.00 10.88 C ATOM 475 O SER A 37 23.648 30.705 13.507 1.00 11.75 O ATOM 476 CB SER A 37 26.030 30.047 14.365 1.00 11.89 C ATOM 477 OG SER A 37 27.445 29.772 14.487 1.00 14.20 O ATOM 478 HA SER A 37 26.615 31.617 12.946 1.00 0.00 H ATOM 479 HB2 SER A 37 25.559 29.308 13.717 1.00 0.00 H ATOM 480 HB3 SER A 37 25.557 30.021 15.347 1.00 0.00 H ATOM 481 HG SER A 37 27.572 28.873 14.881 1.00 0.00 H ATOM 482 H SER A 37 27.057 33.072 14.614 1.00 0.00 H ATOM 483 N TYR A 38 24.273 32.544 12.335 1.00 9.79 N ATOM 484 CA TYR A 38 23.052 32.816 11.605 1.00 9.08 C ATOM 485 C TYR A 38 23.083 32.171 10.205 1.00 7.51 C ATOM 486 O TYR A 38 24.149 32.141 9.569 1.00 6.07 O ATOM 487 CB TYR A 38 22.864 34.354 11.437 1.00 9.50 C ATOM 488 CG TYR A 38 22.541 35.005 12.757 1.00 11.05 C ATOM 489 CD1 TYR A 38 21.338 34.809 13.422 1.00 11.48 C ATOM 490 CD2 TYR A 38 23.500 35.852 13.314 1.00 11.39 C ATOM 491 CE1 TYR A 38 21.079 35.454 14.643 1.00 12.00 C ATOM 492 CE2 TYR A 38 23.247 36.526 14.516 1.00 12.42 C ATOM 493 CZ TYR A 38 22.052 36.280 15.178 1.00 13.66 C ATOM 494 OH TYR A 38 21.901 36.943 16.371 1.00 14.57 O ATOM 495 HA TYR A 38 22.225 32.392 12.175 1.00 0.00 H ATOM 496 HB3 TYR A 38 22.048 34.540 10.738 1.00 0.00 H ATOM 497 HB2 TYR A 38 23.784 34.785 11.042 1.00 0.00 H ATOM 498 HD2 TYR A 38 24.456 35.991 12.809 1.00 0.00 H ATOM 499 HE2 TYR A 38 23.974 37.229 14.923 1.00 0.00 H ATOM 500 HE1 TYR A 38 20.130 35.307 15.159 1.00 0.00 H ATOM 501 HD1 TYR A 38 20.586 34.147 12.992 1.00 0.00 H ATOM 502 HH TYR A 38 22.628 36.678 16.989 1.00 0.00 H ATOM 503 H TYR A 38 25.063 33.203 12.182 1.00 0.00 H ATOM 504 N PRO A 39 21.976 31.699 9.697 1.00 6.97 N ATOM 505 CA PRO A 39 20.661 31.673 10.351 1.00 6.69 C ATOM 506 C PRO A 39 20.671 30.568 11.384 1.00 7.65 C ATOM 507 O PRO A 39 21.440 29.591 11.209 1.00 6.79 O ATOM 508 CB PRO A 39 19.695 31.413 9.234 1.00 7.11 C ATOM 509 CG PRO A 39 20.487 30.583 8.261 1.00 7.16 C ATOM 510 CD PRO A 39 21.931 31.061 8.384 1.00 7.21 C ATOM 511 HA PRO A 39 20.394 32.590 10.876 1.00 0.00 H ATOM 512 HD3 PRO A 39 22.624 30.221 8.336 1.00 0.00 H ATOM 513 HD2 PRO A 39 22.173 31.775 7.597 1.00 0.00 H ATOM 514 HG3 PRO A 39 20.121 30.736 7.246 1.00 0.00 H ATOM 515 HG2 PRO A 39 20.414 29.526 8.516 1.00 0.00 H ATOM 516 HB2 PRO A 39 18.824 30.865 9.593 1.00 0.00 H ATOM 517 HB3 PRO A 39 19.371 32.347 8.775 1.00 0.00 H ATOM 518 N HIS A 40 19.859 30.635 12.425 1.00 7.83 N ATOM 519 CA HIS A 40 19.890 29.550 13.453 1.00 7.52 C ATOM 520 C HIS A 40 18.426 29.391 13.847 1.00 7.53 C ATOM 521 O HIS A 40 17.610 30.264 13.521 1.00 7.85 O ATOM 522 CB HIS A 40 20.768 29.768 14.668 1.00 9.00 C ATOM 523 CG HIS A 40 20.401 30.853 15.628 1.00 9.64 C ATOM 524 ND1 HIS A 40 19.226 30.872 16.361 1.00 11.68 N ATOM 525 CD2 HIS A 40 21.107 31.932 16.038 1.00 11.00 C ATOM 526 CE1 HIS A 40 19.197 31.936 17.134 1.00 12.37 C ATOM 527 NE2 HIS A 40 20.335 32.611 16.938 1.00 13.28 N ATOM 528 HA HIS A 40 20.355 28.664 13.021 1.00 0.00 H ATOM 529 HB2 HIS A 40 20.780 28.833 15.228 1.00 0.00 H ATOM 530 HB3 HIS A 40 21.772 29.986 14.305 1.00 0.00 H ATOM 531 HD2 HIS A 40 22.109 32.209 15.710 1.00 0.00 H ATOM 532 HE1 HIS A 40 18.391 32.217 17.812 1.00 0.00 H ATOM 533 H HIS A 40 19.204 31.436 12.528 1.00 0.00 H ATOM 534 N LYS A 41 18.071 28.320 14.506 1.00 6.35 N ATOM 535 CA LYS A 41 16.724 28.043 14.925 1.00 8.99 C ATOM 536 C LYS A 41 16.107 29.091 15.847 1.00 9.00 C ATOM 537 O LYS A 41 16.731 29.624 16.788 1.00 11.28 O ATOM 538 CB LYS A 41 16.706 26.686 15.742 1.00 12.85 C ATOM 539 CG LYS A 41 15.254 26.195 15.719 1.00 16.22 C ATOM 540 CD LYS A 41 15.137 24.796 16.355 1.00 20.40 C ATOM 541 CE LYS A 41 13.648 24.581 16.714 1.00 23.27 C ATOM 542 NZ LYS A 41 13.403 23.105 16.921 1.00 26.08 N ATOM 543 HA LYS A 41 16.144 28.018 14.003 1.00 0.00 H ATOM 544 HB2 LYS A 41 17.361 25.952 15.272 1.00 0.00 H ATOM 545 HB3 LYS A 41 17.031 26.857 16.768 1.00 0.00 H ATOM 546 HG2 LYS A 41 14.631 26.894 16.277 1.00 0.00 H ATOM 547 HG3 LYS A 41 14.909 26.148 14.686 1.00 0.00 H ATOM 548 HD2 LYS A 41 15.465 24.035 15.647 1.00 0.00 H ATOM 549 HD3 LYS A 41 15.750 24.742 17.255 1.00 0.00 H ATOM 550 HE2 LYS A 41 13.019 24.946 15.902 1.00 0.00 H ATOM 551 HE3 LYS A 41 13.410 25.124 17.629 1.00 0.00 H ATOM 552 HZ1 LYS A 41 13.632 22.591 16.047 1.00 0.00 H ATOM 553 HZ2 LYS A 41 14.005 22.760 17.695 1.00 0.00 H ATOM 554 HZ3 LYS A 41 12.403 22.951 17.163 1.00 0.00 H ATOM 555 H LYS A 41 18.808 27.625 14.742 1.00 0.00 H ATOM 556 N TYR A 42 14.845 29.356 15.622 1.00 9.63 N ATOM 557 CA TYR A 42 14.110 30.353 16.480 1.00 9.82 C ATOM 558 C TYR A 42 13.010 29.530 17.166 1.00 10.58 C ATOM 559 O TYR A 42 12.093 28.976 16.550 1.00 9.88 O ATOM 560 CB TYR A 42 13.685 31.586 15.717 1.00 9.16 C ATOM 561 CG TYR A 42 12.805 32.519 16.530 1.00 8.49 C ATOM 562 CD1 TYR A 42 11.421 32.462 16.391 1.00 9.24 C ATOM 563 CD2 TYR A 42 13.398 33.365 17.448 1.00 8.94 C ATOM 564 CE1 TYR A 42 10.596 33.287 17.164 1.00 9.50 C ATOM 565 CE2 TYR A 42 12.579 34.178 18.254 1.00 7.80 C ATOM 566 CZ TYR A 42 11.217 34.114 18.106 1.00 8.22 C ATOM 567 OH TYR A 42 10.433 34.941 18.857 1.00 11.22 O ATOM 568 HA TYR A 42 14.732 30.818 17.245 1.00 0.00 H ATOM 569 HB3 TYR A 42 13.132 31.272 14.831 1.00 0.00 H ATOM 570 HB2 TYR A 42 14.579 32.130 15.412 1.00 0.00 H ATOM 571 HD2 TYR A 42 14.483 33.402 17.546 1.00 0.00 H ATOM 572 HE2 TYR A 42 13.022 34.851 18.988 1.00 0.00 H ATOM 573 HE1 TYR A 42 9.513 33.285 17.037 1.00 0.00 H ATOM 574 HD1 TYR A 42 10.977 31.770 15.675 1.00 0.00 H ATOM 575 HH TYR A 42 10.589 34.759 19.818 1.00 0.00 H ATOM 576 H TYR A 42 14.346 28.875 14.846 1.00 0.00 H ATOM 577 N ASN A 43 13.223 29.418 18.460 1.00 11.88 N ATOM 578 CA ASN A 43 12.348 28.604 19.321 1.00 13.93 C ATOM 579 C ASN A 43 11.010 29.240 19.632 1.00 14.77 C ATOM 580 O ASN A 43 10.130 28.447 20.109 1.00 15.79 O ATOM 581 CB ASN A 43 13.089 28.207 20.599 1.00 14.53 C ATOM 582 CG ASN A 43 14.300 27.352 20.345 1.00 15.84 C ATOM 583 OD1 ASN A 43 15.469 27.812 20.383 1.00 16.30 O ATOM 584 ND2 ASN A 43 14.050 26.072 20.089 1.00 17.21 N ATOM 585 HA ASN A 43 12.104 27.709 18.748 1.00 0.00 H ATOM 586 HB2 ASN A 43 13.408 29.115 21.110 1.00 0.00 H ATOM 587 HB3 ASN A 43 12.402 27.653 21.239 1.00 0.00 H ATOM 588 HD22 ASN A 43 13.069 25.728 20.066 1.00 0.00 H ATOM 589 HD21 ASN A 43 14.836 25.414 19.912 1.00 0.00 H ATOM 590 H ASN A 43 14.030 29.917 18.886 1.00 0.00 H ATOM 591 N ASN A 44 10.829 30.512 19.374 1.00 14.28 N ATOM 592 CA ASN A 44 9.563 31.181 19.671 1.00 14.17 C ATOM 593 C ASN A 44 9.274 31.124 21.183 1.00 13.87 C ATOM 594 O ASN A 44 8.075 30.856 21.510 1.00 14.95 O ATOM 595 CB ASN A 44 8.359 30.613 18.919 1.00 15.30 C ATOM 596 CG ASN A 44 7.301 31.668 18.689 1.00 16.16 C ATOM 597 OD1 ASN A 44 7.594 32.829 18.977 1.00 16.07 O ATOM 598 ND2 ASN A 44 6.106 31.276 18.227 1.00 15.98 N ATOM 599 HA ASN A 44 9.693 32.208 19.331 1.00 0.00 H ATOM 600 HB2 ASN A 44 8.692 30.229 17.955 1.00 0.00 H ATOM 601 HB3 ASN A 44 7.928 29.800 19.503 1.00 0.00 H ATOM 602 HD22 ASN A 44 5.937 30.274 18.006 1.00 0.00 H ATOM 603 HD21 ASN A 44 5.347 31.974 18.089 1.00 0.00 H ATOM 604 H ASN A 44 11.604 31.059 18.948 1.00 0.00 H ATOM 605 N TYR A 45 10.236 31.361 22.021 1.00 13.23 N ATOM 606 CA TYR A 45 9.956 31.378 23.478 1.00 12.99 C ATOM 607 C TYR A 45 8.863 32.410 23.735 1.00 13.09 C ATOM 608 O TYR A 45 8.010 32.190 24.607 1.00 14.50 O ATOM 609 CB TYR A 45 11.167 31.766 24.306 1.00 11.09 C ATOM 610 CG TYR A 45 12.420 30.950 24.223 1.00 12.01 C ATOM 611 CD1 TYR A 45 12.397 29.526 24.207 1.00 11.54 C ATOM 612 CD2 TYR A 45 13.652 31.603 24.188 1.00 11.43 C ATOM 613 CE1 TYR A 45 13.606 28.844 24.137 1.00 12.49 C ATOM 614 CE2 TYR A 45 14.851 30.915 24.110 1.00 12.94 C ATOM 615 CZ TYR A 45 14.819 29.522 24.107 1.00 12.82 C ATOM 616 OH TYR A 45 16.019 28.880 24.006 1.00 15.71 O ATOM 617 HA TYR A 45 9.661 30.371 23.771 1.00 0.00 H ATOM 618 HB3 TYR A 45 10.852 31.756 25.350 1.00 0.00 H ATOM 619 HB2 TYR A 45 11.433 32.783 24.018 1.00 0.00 H ATOM 620 HD2 TYR A 45 13.672 32.692 24.223 1.00 0.00 H ATOM 621 HE2 TYR A 45 15.798 31.451 24.052 1.00 0.00 H ATOM 622 HE1 TYR A 45 13.603 27.754 24.105 1.00 0.00 H ATOM 623 HD1 TYR A 45 11.453 28.983 24.249 1.00 0.00 H ATOM 624 HH TYR A 45 15.870 27.901 24.014 1.00 0.00 H ATOM 625 H TYR A 45 11.200 31.538 21.673 1.00 0.00 H ATOM 626 N GLU A 46 8.931 33.537 23.063 1.00 12.86 N ATOM 627 CA GLU A 46 8.006 34.644 23.207 1.00 13.86 C ATOM 628 C GLU A 46 6.551 34.267 23.044 1.00 14.16 C ATOM 629 O GLU A 46 5.639 34.877 23.626 1.00 14.61 O ATOM 630 CB GLU A 46 8.342 35.767 22.197 1.00 14.10 C ATOM 631 CG GLU A 46 9.515 36.644 22.583 1.00 14.37 C ATOM 632 CD GLU A 46 10.858 35.983 22.581 1.00 14.08 C ATOM 633 OE1 GLU A 46 11.061 34.946 21.938 1.00 15.44 O ATOM 634 OE2 GLU A 46 11.700 36.569 23.247 1.00 13.39 O ATOM 635 HA GLU A 46 8.134 34.987 24.234 1.00 0.00 H ATOM 636 HB2 GLU A 46 8.568 35.303 21.237 1.00 0.00 H ATOM 637 HB3 GLU A 46 7.463 36.403 22.093 1.00 0.00 H ATOM 638 HG2 GLU A 46 9.553 37.478 21.882 1.00 0.00 H ATOM 639 HG3 GLU A 46 9.331 37.023 23.588 1.00 0.00 H ATOM 640 H GLU A 46 9.706 33.643 22.377 1.00 0.00 H ATOM 641 N GLY A 47 6.284 33.272 22.209 1.00 14.18 N ATOM 642 CA GLY A 47 4.955 32.792 21.965 1.00 14.83 C ATOM 643 C GLY A 47 4.128 33.593 20.983 1.00 15.12 C ATOM 644 O GLY A 47 2.914 33.759 21.168 1.00 14.74 O ATOM 645 HA3 GLY A 47 4.424 32.781 22.917 1.00 0.00 H ATOM 646 HA2 GLY A 47 5.033 31.774 21.583 1.00 0.00 H ATOM 647 H GLY A 47 7.075 32.819 21.708 1.00 0.00 H ATOM 648 N PHE A 48 4.818 34.077 19.979 1.00 15.62 N ATOM 649 CA PHE A 48 4.286 34.843 18.869 1.00 16.18 C ATOM 650 C PHE A 48 3.375 33.911 18.088 1.00 18.16 C ATOM 651 O PHE A 48 3.729 32.786 17.704 1.00 18.20 O ATOM 652 CB PHE A 48 5.414 35.431 18.010 1.00 14.25 C ATOM 653 CG PHE A 48 6.241 36.522 18.590 1.00 13.15 C ATOM 654 CD1 PHE A 48 5.561 37.662 19.125 1.00 12.65 C ATOM 655 CD2 PHE A 48 7.623 36.522 18.608 1.00 11.90 C ATOM 656 CE1 PHE A 48 6.253 38.711 19.664 1.00 10.03 C ATOM 657 CE2 PHE A 48 8.346 37.565 19.211 1.00 11.20 C ATOM 658 CZ PHE A 48 7.663 38.661 19.712 1.00 11.29 C ATOM 659 HA PHE A 48 3.716 35.704 19.219 1.00 0.00 H ATOM 660 HB2 PHE A 48 6.088 34.613 17.757 1.00 0.00 H ATOM 661 HB3 PHE A 48 4.958 35.819 17.099 1.00 0.00 H ATOM 662 HD2 PHE A 48 8.163 35.696 18.145 1.00 0.00 H ATOM 663 HE2 PHE A 48 9.432 37.512 19.284 1.00 0.00 H ATOM 664 HZ PHE A 48 8.219 39.492 20.147 1.00 0.00 H ATOM 665 HE1 PHE A 48 5.720 39.579 20.053 1.00 0.00 H ATOM 666 HD1 PHE A 48 4.472 37.695 19.102 1.00 0.00 H ATOM 667 H PHE A 48 5.842 33.895 19.979 1.00 0.00 H ATOM 668 N ASP A 49 2.176 34.357 17.836 1.00 20.71 N ATOM 669 CA ASP A 49 1.180 33.619 17.050 1.00 22.66 C ATOM 670 C ASP A 49 1.457 33.898 15.573 1.00 22.87 C ATOM 671 O ASP A 49 0.938 34.865 14.964 1.00 24.30 O ATOM 672 CB ASP A 49 -0.204 34.110 17.504 1.00 28.23 C ATOM 673 CG ASP A 49 -0.999 32.910 17.992 1.00 32.16 C ATOM 674 OD1 ASP A 49 -2.238 32.863 17.812 1.00 35.62 O ATOM 675 OD2 ASP A 49 -0.290 32.007 18.525 1.00 34.81 O ATOM 676 HA ASP A 49 1.224 32.540 17.196 1.00 0.00 H ATOM 677 HB2 ASP A 49 -0.092 34.832 18.313 1.00 0.00 H ATOM 678 HB3 ASP A 49 -0.721 34.580 16.668 1.00 0.00 H ATOM 679 H ASP A 49 1.910 35.289 18.213 1.00 0.00 H ATOM 680 N PHE A 50 2.321 33.078 15.004 1.00 22.03 N ATOM 681 CA PHE A 50 2.721 33.225 13.574 1.00 20.71 C ATOM 682 C PHE A 50 1.732 32.369 12.774 1.00 20.50 C ATOM 683 O PHE A 50 1.315 31.335 13.319 1.00 20.09 O ATOM 684 CB PHE A 50 4.160 32.860 13.386 1.00 19.83 C ATOM 685 CG PHE A 50 5.261 33.641 14.018 1.00 18.85 C ATOM 686 CD1 PHE A 50 5.252 35.038 13.951 1.00 18.97 C ATOM 687 CD2 PHE A 50 6.352 32.980 14.612 1.00 18.25 C ATOM 688 CE1 PHE A 50 6.282 35.782 14.524 1.00 17.25 C ATOM 689 CE2 PHE A 50 7.411 33.729 15.164 1.00 17.03 C ATOM 690 CZ PHE A 50 7.364 35.133 15.091 1.00 17.32 C ATOM 691 HA PHE A 50 2.666 34.254 13.219 1.00 0.00 H ATOM 692 HB2 PHE A 50 4.265 31.837 13.746 1.00 0.00 H ATOM 693 HB3 PHE A 50 4.344 32.886 12.312 1.00 0.00 H ATOM 694 HD2 PHE A 50 6.378 31.891 14.645 1.00 0.00 H ATOM 695 HE2 PHE A 50 8.254 33.228 15.640 1.00 0.00 H ATOM 696 HZ PHE A 50 8.193 35.719 15.487 1.00 0.00 H ATOM 697 HE1 PHE A 50 6.235 36.871 14.525 1.00 0.00 H ATOM 698 HD1 PHE A 50 4.432 35.549 13.446 1.00 0.00 H ATOM 699 H PHE A 50 2.734 32.308 15.568 1.00 0.00 H ATOM 700 N SER A 51 1.381 32.784 11.591 1.00 20.24 N ATOM 701 CA SER A 51 0.400 32.110 10.748 1.00 20.36 C ATOM 702 C SER A 51 0.986 31.060 9.828 1.00 20.48 C ATOM 703 O SER A 51 0.256 30.432 9.045 1.00 21.30 O ATOM 704 CB SER A 51 -0.338 33.183 9.918 1.00 20.94 C ATOM 705 OG SER A 51 0.461 33.584 8.817 1.00 22.34 O ATOM 706 HA SER A 51 -0.278 31.570 11.409 1.00 0.00 H ATOM 707 HB2 SER A 51 -0.544 34.048 10.548 1.00 0.00 H ATOM 708 HB3 SER A 51 -1.278 32.771 9.550 1.00 0.00 H ATOM 709 HG SER A 51 1.314 33.960 9.150 1.00 0.00 H ATOM 710 H SER A 51 1.827 33.649 11.225 1.00 0.00 H ATOM 711 N VAL A 52 2.275 30.921 9.862 1.00 19.68 N ATOM 712 CA VAL A 52 3.075 29.981 9.032 1.00 19.35 C ATOM 713 C VAL A 52 3.516 28.912 10.000 1.00 18.94 C ATOM 714 O VAL A 52 3.497 29.166 11.226 1.00 19.32 O ATOM 715 CB VAL A 52 4.121 30.956 8.437 1.00 19.82 C ATOM 716 CG1 VAL A 52 5.515 30.588 8.823 1.00 17.88 C ATOM 717 CG2 VAL A 52 3.813 31.259 6.985 1.00 19.46 C ATOM 718 HA VAL A 52 2.639 29.421 8.205 1.00 0.00 H ATOM 719 HB VAL A 52 4.040 31.941 8.897 1.00 0.00 H ATOM 720 HG11 VAL A 52 5.608 30.611 9.909 1.00 0.00 H ATOM 721 HG12 VAL A 52 5.739 29.585 8.459 1.00 0.00 H ATOM 722 HG13 VAL A 52 6.213 31.300 8.382 1.00 0.00 H ATOM 723 HG21 VAL A 52 3.830 30.333 6.410 1.00 0.00 H ATOM 724 HG22 VAL A 52 2.826 31.716 6.912 1.00 0.00 H ATOM 725 HG23 VAL A 52 4.563 31.946 6.592 1.00 0.00 H ATOM 726 H VAL A 52 2.797 31.522 10.531 1.00 0.00 H ATOM 727 N SER A 53 3.881 27.712 9.598 1.00 19.77 N ATOM 728 CA SER A 53 4.275 26.678 10.594 1.00 19.84 C ATOM 729 C SER A 53 5.787 26.636 10.854 1.00 19.72 C ATOM 730 O SER A 53 6.590 27.187 10.120 1.00 19.08 O ATOM 731 CB SER A 53 3.808 25.271 10.253 1.00 21.35 C ATOM 732 OG SER A 53 4.082 24.915 8.915 1.00 22.76 O ATOM 733 HA SER A 53 3.758 27.000 11.498 1.00 0.00 H ATOM 734 HB2 SER A 53 2.732 25.211 10.417 1.00 0.00 H ATOM 735 HB3 SER A 53 4.314 24.566 10.912 1.00 0.00 H ATOM 736 HG SER A 53 3.620 25.544 8.306 1.00 0.00 H ATOM 737 H SER A 53 3.894 27.486 8.583 1.00 0.00 H ATOM 738 N SER A 54 6.057 25.940 11.927 1.00 19.70 N ATOM 739 CA SER A 54 7.350 25.634 12.508 1.00 19.95 C ATOM 740 C SER A 54 8.056 24.513 11.728 1.00 18.67 C ATOM 741 O SER A 54 7.381 23.721 11.027 1.00 20.34 O ATOM 742 CB SER A 54 7.158 25.117 13.942 1.00 21.87 C ATOM 743 OG SER A 54 7.962 25.863 14.845 1.00 26.71 O ATOM 744 HA SER A 54 7.945 26.547 12.481 1.00 0.00 H ATOM 745 HB2 SER A 54 7.445 24.066 13.988 1.00 0.00 H ATOM 746 HB3 SER A 54 6.110 25.219 14.224 1.00 0.00 H ATOM 747 HG SER A 54 7.829 25.520 15.764 1.00 0.00 H ATOM 748 H SER A 54 5.234 25.554 12.432 1.00 0.00 H ATOM 749 N PRO A 55 9.363 24.386 11.827 1.00 16.98 N ATOM 750 CA PRO A 55 10.294 25.176 12.607 1.00 14.98 C ATOM 751 C PRO A 55 10.543 26.539 11.968 1.00 12.96 C ATOM 752 O PRO A 55 10.284 26.742 10.787 1.00 11.78 O ATOM 753 CB PRO A 55 11.551 24.312 12.613 1.00 15.78 C ATOM 754 CG PRO A 55 11.507 23.717 11.196 1.00 16.33 C ATOM 755 CD PRO A 55 10.050 23.288 11.068 1.00 16.62 C ATOM 756 HA PRO A 55 9.932 25.406 13.609 1.00 0.00 H ATOM 757 HD3 PRO A 55 9.730 23.260 10.026 1.00 0.00 H ATOM 758 HD2 PRO A 55 9.877 22.314 11.526 1.00 0.00 H ATOM 759 HG3 PRO A 55 12.179 22.864 11.105 1.00 0.00 H ATOM 760 HG2 PRO A 55 11.766 24.464 10.446 1.00 0.00 H ATOM 761 HB2 PRO A 55 12.448 24.911 12.768 1.00 0.00 H ATOM 762 HB3 PRO A 55 11.499 23.535 13.375 1.00 0.00 H ATOM 763 N TYR A 56 11.045 27.427 12.795 1.00 11.83 N ATOM 764 CA TYR A 56 11.411 28.801 12.399 1.00 10.65 C ATOM 765 C TYR A 56 12.920 28.992 12.532 1.00 9.56 C ATOM 766 O TYR A 56 13.548 28.311 13.347 1.00 10.15 O ATOM 767 CB TYR A 56 10.719 29.816 13.329 1.00 11.31 C ATOM 768 CG TYR A 56 9.222 29.633 13.332 1.00 10.28 C ATOM 769 CD1 TYR A 56 8.540 29.727 12.105 1.00 11.11 C ATOM 770 CD2 TYR A 56 8.540 29.375 14.511 1.00 11.25 C ATOM 771 CE1 TYR A 56 7.149 29.577 12.065 1.00 13.27 C ATOM 772 CE2 TYR A 56 7.149 29.208 14.491 1.00 13.57 C ATOM 773 CZ TYR A 56 6.482 29.298 13.268 1.00 14.48 C ATOM 774 OH TYR A 56 5.115 29.092 13.297 1.00 17.19 O ATOM 775 HA TYR A 56 11.098 28.959 11.367 1.00 0.00 H ATOM 776 HB3 TYR A 56 10.952 30.825 12.988 1.00 0.00 H ATOM 777 HB2 TYR A 56 11.095 29.681 14.343 1.00 0.00 H ATOM 778 HD2 TYR A 56 9.085 29.302 15.452 1.00 0.00 H ATOM 779 HE2 TYR A 56 6.599 29.012 15.411 1.00 0.00 H ATOM 780 HE1 TYR A 56 6.600 29.674 11.128 1.00 0.00 H ATOM 781 HD1 TYR A 56 9.095 29.917 11.186 1.00 0.00 H ATOM 782 HH TYR A 56 4.750 29.179 12.381 1.00 0.00 H ATOM 783 H TYR A 56 11.193 27.146 13.785 1.00 0.00 H ATOM 784 N TYR A 57 13.456 29.876 11.789 1.00 8.57 N ATOM 785 CA TYR A 57 14.812 30.338 11.688 1.00 8.17 C ATOM 786 C TYR A 57 14.795 31.897 11.676 1.00 8.35 C ATOM 787 O TYR A 57 13.896 32.504 11.157 1.00 7.24 O ATOM 788 CB TYR A 57 15.484 29.822 10.385 1.00 9.09 C ATOM 789 CG TYR A 57 15.375 28.302 10.341 1.00 9.60 C ATOM 790 CD1 TYR A 57 16.306 27.566 11.081 1.00 9.90 C ATOM 791 CD2 TYR A 57 14.357 27.655 9.662 1.00 10.76 C ATOM 792 CE1 TYR A 57 16.248 26.163 11.124 1.00 10.71 C ATOM 793 CE2 TYR A 57 14.311 26.230 9.692 1.00 12.31 C ATOM 794 CZ TYR A 57 15.229 25.533 10.442 1.00 10.49 C ATOM 795 OH TYR A 57 15.162 24.162 10.447 1.00 12.20 O ATOM 796 HA TYR A 57 15.383 29.960 12.536 1.00 0.00 H ATOM 797 HB3 TYR A 57 16.534 30.114 10.374 1.00 0.00 H ATOM 798 HB2 TYR A 57 14.980 30.250 9.519 1.00 0.00 H ATOM 799 HD2 TYR A 57 13.605 28.224 9.115 1.00 0.00 H ATOM 800 HE2 TYR A 57 13.551 25.695 9.122 1.00 0.00 H ATOM 801 HE1 TYR A 57 16.988 25.589 11.681 1.00 0.00 H ATOM 802 HD1 TYR A 57 17.088 28.088 11.632 1.00 0.00 H ATOM 803 HH TYR A 57 15.278 23.824 9.524 1.00 0.00 H ATOM 804 H TYR A 57 12.794 30.347 11.140 1.00 0.00 H ATOM 805 N GLU A 58 15.838 32.405 12.352 1.00 9.13 N ATOM 806 CA GLU A 58 16.005 33.860 12.410 1.00 8.99 C ATOM 807 C GLU A 58 17.319 34.198 11.745 1.00 8.79 C ATOM 808 O GLU A 58 18.313 33.454 11.828 1.00 8.49 O ATOM 809 CB GLU A 58 16.003 34.371 13.841 1.00 9.16 C ATOM 810 CG GLU A 58 17.173 33.959 14.706 1.00 12.26 C ATOM 811 CD GLU A 58 17.225 34.575 16.079 1.00 14.68 C ATOM 812 OE1 GLU A 58 16.585 34.157 16.992 1.00 16.55 O ATOM 813 OE2 GLU A 58 17.960 35.584 16.176 1.00 14.92 O ATOM 814 HA GLU A 58 15.170 34.339 11.899 1.00 0.00 H ATOM 815 HB2 GLU A 58 15.985 35.460 13.804 1.00 0.00 H ATOM 816 HB3 GLU A 58 15.093 34.010 14.321 1.00 0.00 H ATOM 817 HG2 GLU A 58 17.135 32.876 14.827 1.00 0.00 H ATOM 818 HG3 GLU A 58 18.089 34.233 14.182 1.00 0.00 H ATOM 819 H GLU A 58 16.517 31.776 12.827 1.00 0.00 H ATOM 820 N TRP A 59 17.268 35.342 11.060 1.00 7.36 N ATOM 821 CA TRP A 59 18.365 35.924 10.285 1.00 6.75 C ATOM 822 C TRP A 59 18.282 37.453 10.506 1.00 6.14 C ATOM 823 O TRP A 59 17.185 38.043 10.409 1.00 6.25 O ATOM 824 CB TRP A 59 18.166 35.519 8.805 1.00 4.25 C ATOM 825 CG TRP A 59 19.089 36.177 7.826 1.00 6.02 C ATOM 826 CD1 TRP A 59 18.776 37.221 6.981 1.00 4.27 C ATOM 827 CD2 TRP A 59 20.446 35.869 7.576 1.00 5.72 C ATOM 828 NE1 TRP A 59 19.862 37.581 6.238 1.00 5.97 N ATOM 829 CE2 TRP A 59 20.906 36.753 6.595 1.00 6.03 C ATOM 830 CE3 TRP A 59 21.333 34.921 8.122 1.00 6.03 C ATOM 831 CZ2 TRP A 59 22.219 36.750 6.121 1.00 7.33 C ATOM 832 CZ3 TRP A 59 22.641 34.889 7.659 1.00 6.73 C ATOM 833 CH2 TRP A 59 23.034 35.782 6.640 1.00 7.69 C ATOM 834 HA TRP A 59 19.353 35.575 10.586 1.00 0.00 H ATOM 835 HB2 TRP A 59 18.309 34.441 8.729 1.00 0.00 H ATOM 836 HB3 TRP A 59 17.143 35.769 8.523 1.00 0.00 H ATOM 837 HE1 TRP A 59 19.897 38.342 5.530 1.00 0.00 H ATOM 838 HD1 TRP A 59 17.796 37.693 6.916 1.00 0.00 H ATOM 839 HZ2 TRP A 59 22.572 37.472 5.385 1.00 0.00 H ATOM 840 HH2 TRP A 59 24.046 35.696 6.243 1.00 0.00 H ATOM 841 HZ3 TRP A 59 23.357 34.182 8.078 1.00 0.00 H ATOM 842 HE3 TRP A 59 20.999 34.226 8.893 1.00 0.00 H ATOM 843 H TRP A 59 16.370 35.866 11.078 1.00 0.00 H ATOM 844 N PRO A 60 19.399 38.085 10.772 1.00 6.54 N ATOM 845 CA PRO A 60 19.402 39.547 10.944 1.00 6.56 C ATOM 846 C PRO A 60 19.054 40.259 9.611 1.00 5.97 C ATOM 847 O PRO A 60 19.401 39.757 8.549 1.00 5.70 O ATOM 848 CB PRO A 60 20.885 39.897 11.224 1.00 6.96 C ATOM 849 CG PRO A 60 21.412 38.615 11.838 1.00 6.69 C ATOM 850 CD PRO A 60 20.758 37.543 10.911 1.00 6.05 C ATOM 851 HA PRO A 60 18.693 39.846 11.716 1.00 0.00 H ATOM 852 HD3 PRO A 60 21.266 37.482 9.948 1.00 0.00 H ATOM 853 HD2 PRO A 60 20.751 36.559 11.379 1.00 0.00 H ATOM 854 HG3 PRO A 60 21.085 38.503 12.872 1.00 0.00 H ATOM 855 HG2 PRO A 60 22.500 38.570 11.796 1.00 0.00 H ATOM 856 HB2 PRO A 60 21.414 40.140 10.302 1.00 0.00 H ATOM 857 HB3 PRO A 60 20.969 40.732 11.920 1.00 0.00 H ATOM 858 N ILE A 61 18.422 41.372 9.795 1.00 6.56 N ATOM 859 CA ILE A 61 18.064 42.384 8.805 1.00 5.61 C ATOM 860 C ILE A 61 18.756 43.648 9.382 1.00 5.14 C ATOM 861 O ILE A 61 18.670 43.894 10.598 1.00 5.63 O ATOM 862 CB ILE A 61 16.555 42.499 8.577 1.00 5.87 C ATOM 863 CG1 ILE A 61 16.253 43.526 7.429 1.00 5.26 C ATOM 864 CG2 ILE A 61 15.749 42.864 9.847 1.00 6.12 C ATOM 865 CD1 ILE A 61 14.777 43.393 6.904 1.00 4.81 C ATOM 866 HA ILE A 61 18.396 42.163 7.791 1.00 0.00 H ATOM 867 HB ILE A 61 16.222 41.503 8.286 1.00 0.00 H ATOM 868 HG12 ILE A 61 16.403 44.536 7.810 1.00 0.00 H ATOM 869 HG13 ILE A 61 16.940 43.345 6.602 1.00 0.00 H ATOM 870 HD11 ILE A 61 14.620 42.387 6.515 1.00 0.00 H ATOM 871 HD12 ILE A 61 14.083 43.579 7.724 1.00 0.00 H ATOM 872 HD13 ILE A 61 14.608 44.121 6.110 1.00 0.00 H ATOM 873 HG21 ILE A 61 15.901 42.096 10.606 1.00 0.00 H ATOM 874 HG22 ILE A 61 16.090 43.826 10.228 1.00 0.00 H ATOM 875 HG23 ILE A 61 14.690 42.925 9.598 1.00 0.00 H ATOM 876 H ILE A 61 18.131 41.572 10.773 1.00 0.00 H ATOM 877 N LEU A 62 19.490 44.339 8.549 1.00 6.87 N ATOM 878 CA LEU A 62 20.301 45.495 8.855 1.00 7.89 C ATOM 879 C LEU A 62 19.677 46.789 8.364 1.00 9.19 C ATOM 880 O LEU A 62 19.231 46.797 7.218 1.00 9.23 O ATOM 881 CB LEU A 62 21.684 45.271 8.151 1.00 7.70 C ATOM 882 CG LEU A 62 22.453 44.033 8.550 1.00 8.25 C ATOM 883 CD1 LEU A 62 23.924 44.119 8.114 1.00 9.54 C ATOM 884 CD2 LEU A 62 22.401 43.819 10.060 1.00 8.82 C ATOM 885 HA LEU A 62 20.400 45.594 9.936 1.00 0.00 H ATOM 886 HB2 LEU A 62 21.504 45.217 7.077 1.00 0.00 H ATOM 887 HB3 LEU A 62 22.311 46.135 8.370 1.00 0.00 H ATOM 888 HG LEU A 62 21.979 43.192 8.044 1.00 0.00 H ATOM 889 HD21 LEU A 62 22.840 44.681 10.563 1.00 0.00 H ATOM 890 HD22 LEU A 62 21.364 43.703 10.374 1.00 0.00 H ATOM 891 HD23 LEU A 62 22.963 42.921 10.318 1.00 0.00 H ATOM 892 HD11 LEU A 62 23.975 44.223 7.030 1.00 0.00 H ATOM 893 HD12 LEU A 62 24.392 44.983 8.586 1.00 0.00 H ATOM 894 HD13 LEU A 62 24.445 43.211 8.418 1.00 0.00 H ATOM 895 H LEU A 62 19.490 44.022 7.558 1.00 0.00 H ATOM 896 N SER A 63 19.828 47.823 9.185 1.00 10.74 N ATOM 897 CA SER A 63 19.287 49.154 8.873 1.00 12.50 C ATOM 898 C SER A 63 20.026 49.819 7.729 1.00 13.58 C ATOM 899 O SER A 63 19.479 50.713 7.108 1.00 14.50 O ATOM 900 CB SER A 63 19.235 50.045 10.102 1.00 11.17 C ATOM 901 OG SER A 63 20.455 49.940 10.791 1.00 12.50 O ATOM 902 HA SER A 63 18.260 49.004 8.540 1.00 0.00 H ATOM 903 HB2 SER A 63 18.419 49.727 10.751 1.00 0.00 H ATOM 904 HB3 SER A 63 19.074 51.079 9.798 1.00 0.00 H ATOM 905 HG SER A 63 20.430 50.518 11.594 1.00 0.00 H ATOM 906 H SER A 63 20.345 47.686 10.077 1.00 0.00 H ATOM 907 N SER A 64 21.216 49.350 7.435 1.00 15.26 N ATOM 908 CA SER A 64 22.066 49.834 6.355 1.00 15.56 C ATOM 909 C SER A 64 21.512 49.476 4.995 1.00 16.52 C ATOM 910 O SER A 64 21.788 50.234 4.034 1.00 17.82 O ATOM 911 CB SER A 64 23.479 49.300 6.559 1.00 15.60 C ATOM 912 OG SER A 64 23.427 47.873 6.347 1.00 17.10 O ATOM 913 HA SER A 64 22.093 50.923 6.384 1.00 0.00 H ATOM 914 HB2 SER A 64 23.818 49.516 7.572 1.00 0.00 H ATOM 915 HB3 SER A 64 24.160 49.760 5.843 1.00 0.00 H ATOM 916 HG SER A 64 24.331 47.489 6.471 1.00 0.00 H ATOM 917 H SER A 64 21.581 48.571 8.019 1.00 0.00 H ATOM 918 N GLY A 65 20.734 48.408 4.877 1.00 15.74 N ATOM 919 CA GLY A 65 20.145 47.964 3.598 1.00 15.00 C ATOM 920 C GLY A 65 21.000 46.843 3.011 1.00 14.87 C ATOM 921 O GLY A 65 20.803 46.320 1.903 1.00 15.17 O ATOM 922 HA3 GLY A 65 20.114 48.801 2.901 1.00 0.00 H ATOM 923 HA2 GLY A 65 19.133 47.598 3.770 1.00 0.00 H ATOM 924 H GLY A 65 20.528 47.853 5.732 1.00 0.00 H ATOM 925 N ASP A 66 22.090 46.596 3.729 1.00 14.22 N ATOM 926 CA ASP A 66 23.054 45.568 3.350 1.00 14.83 C ATOM 927 C ASP A 66 22.570 44.211 3.898 1.00 12.83 C ATOM 928 O ASP A 66 21.788 44.191 4.863 1.00 12.69 O ATOM 929 CB ASP A 66 24.453 45.893 3.848 1.00 19.52 C ATOM 930 CG ASP A 66 25.241 46.739 2.876 1.00 23.19 C ATOM 931 OD1 ASP A 66 26.444 46.948 3.140 1.00 26.86 O ATOM 932 OD2 ASP A 66 24.681 47.161 1.834 1.00 26.11 O ATOM 933 HA ASP A 66 23.117 45.524 2.263 1.00 0.00 H ATOM 934 HB2 ASP A 66 24.370 46.433 4.791 1.00 0.00 H ATOM 935 HB3 ASP A 66 24.990 44.959 4.011 1.00 0.00 H ATOM 936 H ASP A 66 22.262 47.154 4.590 1.00 0.00 H ATOM 937 N VAL A 67 23.016 43.194 3.206 1.00 12.55 N ATOM 938 CA VAL A 67 22.665 41.807 3.607 1.00 12.04 C ATOM 939 C VAL A 67 23.637 41.391 4.662 1.00 11.91 C ATOM 940 O VAL A 67 24.850 41.708 4.574 1.00 12.56 O ATOM 941 CB VAL A 67 22.518 40.835 2.411 1.00 11.62 C ATOM 942 CG1 VAL A 67 22.499 39.386 2.931 1.00 11.01 C ATOM 943 CG2 VAL A 67 21.270 41.154 1.605 1.00 11.57 C ATOM 944 HA VAL A 67 21.662 41.773 4.033 1.00 0.00 H ATOM 945 HB VAL A 67 23.370 40.954 1.742 1.00 0.00 H ATOM 946 HG11 VAL A 67 23.430 39.178 3.458 1.00 0.00 H ATOM 947 HG12 VAL A 67 21.658 39.257 3.612 1.00 0.00 H ATOM 948 HG13 VAL A 67 22.396 38.701 2.090 1.00 0.00 H ATOM 949 HG21 VAL A 67 20.392 41.060 2.244 1.00 0.00 H ATOM 950 HG22 VAL A 67 21.336 42.173 1.224 1.00 0.00 H ATOM 951 HG23 VAL A 67 21.190 40.457 0.771 1.00 0.00 H ATOM 952 H VAL A 67 23.618 43.357 2.373 1.00 0.00 H ATOM 953 N TYR A 68 23.183 40.676 5.664 1.00 11.94 N ATOM 954 CA TYR A 68 24.139 40.288 6.738 1.00 12.73 C ATOM 955 C TYR A 68 25.261 39.389 6.269 1.00 14.29 C ATOM 956 O TYR A 68 25.035 38.380 5.595 1.00 14.93 O ATOM 957 CB TYR A 68 23.374 39.653 7.908 1.00 10.20 C ATOM 958 CG TYR A 68 24.255 39.332 9.085 1.00 8.92 C ATOM 959 CD1 TYR A 68 24.515 37.990 9.418 1.00 8.27 C ATOM 960 CD2 TYR A 68 24.817 40.335 9.877 1.00 7.81 C ATOM 961 CE1 TYR A 68 25.315 37.660 10.499 1.00 7.20 C ATOM 962 CE2 TYR A 68 25.608 40.037 10.969 1.00 7.85 C ATOM 963 CZ TYR A 68 25.861 38.708 11.253 1.00 9.12 C ATOM 964 OH TYR A 68 26.638 38.403 12.370 1.00 11.29 O ATOM 965 HA TYR A 68 24.627 41.205 7.068 1.00 0.00 H ATOM 966 HB3 TYR A 68 22.910 38.730 7.560 1.00 0.00 H ATOM 967 HB2 TYR A 68 22.599 40.347 8.233 1.00 0.00 H ATOM 968 HD2 TYR A 68 24.627 41.379 9.627 1.00 0.00 H ATOM 969 HE2 TYR A 68 26.023 40.830 11.591 1.00 0.00 H ATOM 970 HE1 TYR A 68 25.514 36.619 10.755 1.00 0.00 H ATOM 971 HD1 TYR A 68 24.078 37.195 8.814 1.00 0.00 H ATOM 972 HH TYR A 68 27.532 38.816 12.271 1.00 0.00 H ATOM 973 H TYR A 68 22.184 40.389 5.707 1.00 0.00 H ATOM 974 N SER A 69 26.512 39.756 6.670 1.00 15.58 N ATOM 975 CA SER A 69 27.628 38.911 6.238 1.00 17.17 C ATOM 976 C SER A 69 28.646 38.676 7.343 1.00 18.25 C ATOM 977 O SER A 69 29.782 38.271 7.029 1.00 18.67 O ATOM 978 CB SER A 69 28.290 39.546 5.009 1.00 17.08 C ATOM 979 OG SER A 69 28.792 40.808 5.400 1.00 18.77 O ATOM 980 HA SER A 69 27.230 37.930 5.980 1.00 0.00 H ATOM 981 HB2 SER A 69 27.556 39.668 4.212 1.00 0.00 H ATOM 982 HB3 SER A 69 29.105 38.914 4.657 1.00 0.00 H ATOM 983 HG SER A 69 28.046 41.373 5.722 1.00 0.00 H ATOM 984 H SER A 69 26.667 40.600 7.258 1.00 0.00 H ATOM 985 N GLY A 70 28.265 38.866 8.583 1.00 18.12 N ATOM 986 CA GLY A 70 29.126 38.729 9.759 1.00 17.90 C ATOM 987 C GLY A 70 29.228 40.078 10.474 1.00 18.44 C ATOM 988 O GLY A 70 28.786 41.200 10.099 1.00 19.31 O ATOM 989 HA3 GLY A 70 30.119 38.406 9.447 1.00 0.00 H ATOM 990 HA2 GLY A 70 28.701 37.989 10.437 1.00 0.00 H ATOM 991 H GLY A 70 27.273 39.135 8.744 1.00 0.00 H ATOM 992 N GLY A 71 29.926 40.041 11.615 1.00 18.02 N ATOM 993 CA GLY A 71 30.052 41.369 12.312 1.00 16.18 C ATOM 994 C GLY A 71 28.773 41.465 13.152 1.00 14.82 C ATOM 995 O GLY A 71 28.078 40.463 13.319 1.00 13.97 O ATOM 996 HA3 GLY A 71 30.104 42.184 11.590 1.00 0.00 H ATOM 997 HA2 GLY A 71 30.937 41.392 12.948 1.00 0.00 H ATOM 998 H GLY A 71 30.347 39.167 11.989 1.00 0.00 H ATOM 999 N SER A 72 28.510 42.648 13.648 1.00 13.74 N ATOM 1000 CA SER A 72 27.343 42.860 14.498 1.00 13.15 C ATOM 1001 C SER A 72 26.007 42.738 13.803 1.00 12.51 C ATOM 1002 O SER A 72 25.737 43.452 12.846 1.00 13.05 O ATOM 1003 CB SER A 72 27.518 44.210 15.218 1.00 13.51 C ATOM 1004 OG SER A 72 26.524 44.246 16.223 1.00 16.82 O ATOM 1005 HA SER A 72 27.306 42.044 15.219 1.00 0.00 H ATOM 1006 HB2 SER A 72 27.380 45.034 14.518 1.00 0.00 H ATOM 1007 HB3 SER A 72 28.511 44.276 15.664 1.00 0.00 H ATOM 1008 HG SER A 72 26.591 45.099 16.721 1.00 0.00 H ATOM 1009 H SER A 72 29.141 43.447 13.433 1.00 0.00 H ATOM 1010 N PRO A 73 25.149 41.826 14.315 1.00 11.83 N ATOM 1011 CA PRO A 73 23.808 41.571 13.762 1.00 11.09 C ATOM 1012 C PRO A 73 22.822 42.659 14.052 1.00 10.94 C ATOM 1013 O PRO A 73 21.726 42.740 13.435 1.00 10.41 O ATOM 1014 CB PRO A 73 23.375 40.247 14.445 1.00 10.82 C ATOM 1015 CG PRO A 73 24.070 40.301 15.789 1.00 9.51 C ATOM 1016 CD PRO A 73 25.430 40.940 15.471 1.00 10.63 C ATOM 1017 HA PRO A 73 23.838 41.521 12.674 1.00 0.00 H ATOM 1018 HD3 PRO A 73 25.796 41.516 16.321 1.00 0.00 H ATOM 1019 HD2 PRO A 73 26.164 40.179 15.207 1.00 0.00 H ATOM 1020 HG3 PRO A 73 24.197 39.300 16.201 1.00 0.00 H ATOM 1021 HG2 PRO A 73 23.508 40.914 16.493 1.00 0.00 H ATOM 1022 HB2 PRO A 73 22.293 40.207 14.567 1.00 0.00 H ATOM 1023 HB3 PRO A 73 23.707 39.384 13.868 1.00 0.00 H ATOM 1024 N GLY A 74 23.124 43.550 15.014 1.00 10.76 N ATOM 1025 CA GLY A 74 22.068 44.608 15.203 1.00 9.84 C ATOM 1026 C GLY A 74 20.988 43.962 16.066 1.00 9.78 C ATOM 1027 O GLY A 74 21.189 42.883 16.667 1.00 10.46 O ATOM 1028 HA3 GLY A 74 21.656 44.910 14.240 1.00 0.00 H ATOM 1029 HA2 GLY A 74 22.488 45.479 15.707 1.00 0.00 H ATOM 1030 H GLY A 74 24.001 43.512 15.572 1.00 0.00 H ATOM 1031 N ALA A 75 19.846 44.559 16.200 1.00 9.47 N ATOM 1032 CA ALA A 75 18.749 43.994 17.033 1.00 9.56 C ATOM 1033 C ALA A 75 17.597 43.463 16.228 1.00 7.89 C ATOM 1034 O ALA A 75 16.687 42.849 16.823 1.00 9.37 O ATOM 1035 CB ALA A 75 18.309 45.188 17.946 1.00 8.99 C ATOM 1036 HA ALA A 75 19.091 43.126 17.597 1.00 0.00 H ATOM 1037 HB1 ALA A 75 19.156 45.514 18.549 1.00 0.00 H ATOM 1038 HB2 ALA A 75 17.967 46.014 17.322 1.00 0.00 H ATOM 1039 HB3 ALA A 75 17.499 44.865 18.600 1.00 0.00 H ATOM 1040 H ALA A 75 19.690 45.463 15.709 1.00 0.00 H ATOM 1041 N ASP A 76 17.528 43.623 14.924 1.00 7.57 N ATOM 1042 CA ASP A 76 16.376 43.228 14.096 1.00 6.81 C ATOM 1043 C ASP A 76 16.622 41.833 13.442 1.00 6.29 C ATOM 1044 O ASP A 76 17.769 41.583 13.075 1.00 5.68 O ATOM 1045 CB ASP A 76 16.029 44.314 13.041 1.00 6.88 C ATOM 1046 CG ASP A 76 16.117 45.754 13.601 1.00 9.13 C ATOM 1047 OD1 ASP A 76 15.925 45.853 14.812 1.00 9.44 O ATOM 1048 OD2 ASP A 76 16.360 46.697 12.836 1.00 6.65 O ATOM 1049 HA ASP A 76 15.506 43.139 14.747 1.00 0.00 H ATOM 1050 HB2 ASP A 76 16.725 44.223 12.207 1.00 0.00 H ATOM 1051 HB3 ASP A 76 15.013 44.141 12.686 1.00 0.00 H ATOM 1052 H ASP A 76 18.342 44.058 14.445 1.00 0.00 H ATOM 1053 N ARG A 77 15.540 41.095 13.328 1.00 5.41 N ATOM 1054 CA ARG A 77 15.540 39.785 12.696 1.00 5.66 C ATOM 1055 C ARG A 77 14.286 39.526 11.891 1.00 5.73 C ATOM 1056 O ARG A 77 13.143 39.871 12.214 1.00 4.67 O ATOM 1057 CB ARG A 77 15.617 38.665 13.731 1.00 6.72 C ATOM 1058 CG ARG A 77 16.662 38.746 14.792 1.00 6.44 C ATOM 1059 CD ARG A 77 18.069 38.473 14.301 1.00 7.33 C ATOM 1060 NE ARG A 77 18.965 38.510 15.469 1.00 8.68 N ATOM 1061 CZ ARG A 77 19.692 39.581 15.850 1.00 10.47 C ATOM 1062 NH1 ARG A 77 19.764 40.696 15.150 1.00 8.83 N ATOM 1063 NH2 ARG A 77 20.261 39.566 17.064 1.00 9.82 N ATOM 1064 HA ARG A 77 16.414 39.790 12.045 1.00 0.00 H ATOM 1065 HB2 ARG A 77 14.651 38.624 14.233 1.00 0.00 H ATOM 1066 HB3 ARG A 77 15.782 37.735 13.187 1.00 0.00 H ATOM 1067 HG2 ARG A 77 16.638 39.748 15.220 1.00 0.00 H ATOM 1068 HG3 ARG A 77 16.422 38.016 15.565 1.00 0.00 H ATOM 1069 HD2 ARG A 77 18.366 39.235 13.581 1.00 0.00 H ATOM 1070 HD3 ARG A 77 18.114 37.492 13.829 1.00 0.00 H ATOM 1071 HE ARG A 77 19.043 37.646 16.043 1.00 0.00 H ATOM 1072 HH12 ARG A 77 20.341 41.490 15.494 1.00 0.00 H ATOM 1073 HH11 ARG A 77 19.243 40.782 14.254 1.00 0.00 H ATOM 1074 HH22 ARG A 77 20.827 40.378 17.383 1.00 0.00 H ATOM 1075 HH21 ARG A 77 20.137 38.742 17.686 1.00 0.00 H ATOM 1076 H ARG A 77 14.644 41.464 13.706 1.00 0.00 H ATOM 1077 N VAL A 78 14.575 38.794 10.796 1.00 6.69 N ATOM 1078 CA VAL A 78 13.567 38.237 9.893 1.00 8.19 C ATOM 1079 C VAL A 78 13.408 36.743 10.354 1.00 8.58 C ATOM 1080 O VAL A 78 14.395 36.056 10.586 1.00 7.86 O ATOM 1081 CB VAL A 78 13.921 38.358 8.407 1.00 9.42 C ATOM 1082 CG1 VAL A 78 13.285 37.286 7.585 1.00 12.01 C ATOM 1083 CG2 VAL A 78 13.521 39.740 7.819 1.00 9.81 C ATOM 1084 HA VAL A 78 12.634 38.797 9.961 1.00 0.00 H ATOM 1085 HB VAL A 78 15.004 38.249 8.359 1.00 0.00 H ATOM 1086 HG11 VAL A 78 13.624 36.311 7.936 1.00 0.00 H ATOM 1087 HG12 VAL A 78 12.201 37.351 7.681 1.00 0.00 H ATOM 1088 HG13 VAL A 78 13.567 37.416 6.540 1.00 0.00 H ATOM 1089 HG21 VAL A 78 12.445 39.880 7.924 1.00 0.00 H ATOM 1090 HG22 VAL A 78 14.046 40.529 8.358 1.00 0.00 H ATOM 1091 HG23 VAL A 78 13.792 39.777 6.764 1.00 0.00 H ATOM 1092 H VAL A 78 15.576 38.614 10.580 1.00 0.00 H ATOM 1093 N VAL A 79 12.224 36.260 10.529 1.00 8.56 N ATOM 1094 CA VAL A 79 11.954 34.855 10.926 1.00 9.17 C ATOM 1095 C VAL A 79 11.244 34.205 9.748 1.00 9.32 C ATOM 1096 O VAL A 79 10.189 34.723 9.354 1.00 9.77 O ATOM 1097 CB VAL A 79 11.128 34.822 12.217 1.00 8.11 C ATOM 1098 CG1 VAL A 79 10.863 33.385 12.706 1.00 8.77 C ATOM 1099 CG2 VAL A 79 11.853 35.600 13.307 1.00 8.89 C ATOM 1100 HA VAL A 79 12.868 34.303 11.147 1.00 0.00 H ATOM 1101 HB VAL A 79 10.163 35.280 11.998 1.00 0.00 H ATOM 1102 HG11 VAL A 79 10.314 32.837 11.940 1.00 0.00 H ATOM 1103 HG12 VAL A 79 11.813 32.888 12.900 1.00 0.00 H ATOM 1104 HG13 VAL A 79 10.274 33.417 13.623 1.00 0.00 H ATOM 1105 HG21 VAL A 79 12.828 35.147 13.488 1.00 0.00 H ATOM 1106 HG22 VAL A 79 11.985 36.634 12.987 1.00 0.00 H ATOM 1107 HG23 VAL A 79 11.263 35.575 14.223 1.00 0.00 H ATOM 1108 H VAL A 79 11.411 36.892 10.383 1.00 0.00 H ATOM 1109 N PHE A 80 11.831 33.179 9.188 1.00 9.30 N ATOM 1110 CA PHE A 80 11.286 32.433 8.046 1.00 9.85 C ATOM 1111 C PHE A 80 11.116 30.971 8.457 1.00 9.40 C ATOM 1112 O PHE A 80 11.685 30.496 9.443 1.00 9.56 O ATOM 1113 CB PHE A 80 12.145 32.581 6.772 1.00 8.31 C ATOM 1114 CG PHE A 80 13.586 32.229 6.911 1.00 9.96 C ATOM 1115 CD1 PHE A 80 14.532 33.172 7.368 1.00 9.59 C ATOM 1116 CD2 PHE A 80 14.086 30.948 6.584 1.00 10.15 C ATOM 1117 CE1 PHE A 80 15.842 32.884 7.513 1.00 9.86 C ATOM 1118 CE2 PHE A 80 15.438 30.645 6.749 1.00 7.80 C ATOM 1119 CZ PHE A 80 16.342 31.604 7.205 1.00 8.62 C ATOM 1120 HA PHE A 80 10.315 32.853 7.783 1.00 0.00 H ATOM 1121 HB2 PHE A 80 11.717 31.937 6.004 1.00 0.00 H ATOM 1122 HB3 PHE A 80 12.085 33.620 6.448 1.00 0.00 H ATOM 1123 HD2 PHE A 80 13.407 30.188 6.198 1.00 0.00 H ATOM 1124 HE2 PHE A 80 15.794 29.641 6.517 1.00 0.00 H ATOM 1125 HZ PHE A 80 17.401 31.371 7.319 1.00 0.00 H ATOM 1126 HE1 PHE A 80 16.524 33.654 7.874 1.00 0.00 H ATOM 1127 HD1 PHE A 80 14.189 34.177 7.615 1.00 0.00 H ATOM 1128 H PHE A 80 12.745 32.871 9.577 1.00 0.00 H ATOM 1129 N ASN A 81 10.407 30.191 7.665 1.00 9.74 N ATOM 1130 CA ASN A 81 10.265 28.728 8.050 1.00 11.32 C ATOM 1131 C ASN A 81 10.956 27.843 7.033 1.00 11.47 C ATOM 1132 O ASN A 81 11.646 28.268 6.088 1.00 11.81 O ATOM 1133 CB ASN A 81 8.785 28.407 8.328 1.00 10.76 C ATOM 1134 CG ASN A 81 7.956 28.317 7.081 1.00 11.60 C ATOM 1135 OD1 ASN A 81 8.408 28.466 5.957 1.00 11.42 O ATOM 1136 ND2 ASN A 81 6.634 28.064 7.203 1.00 14.80 N ATOM 1137 HA ASN A 81 10.782 28.514 8.985 1.00 0.00 H ATOM 1138 HB2 ASN A 81 8.729 27.452 8.851 1.00 0.00 H ATOM 1139 HB3 ASN A 81 8.373 29.192 8.962 1.00 0.00 H ATOM 1140 HD22 ASN A 81 6.215 27.932 8.145 1.00 0.00 H ATOM 1141 HD21 ASN A 81 6.036 28.002 6.354 1.00 0.00 H ATOM 1142 H ASN A 81 9.959 30.565 6.804 1.00 0.00 H ATOM 1143 N GLU A 82 10.801 26.535 7.157 1.00 12.88 N ATOM 1144 CA GLU A 82 11.394 25.540 6.254 1.00 12.98 C ATOM 1145 C GLU A 82 10.937 25.624 4.811 1.00 12.56 C ATOM 1146 O GLU A 82 11.638 25.141 3.894 1.00 12.99 O ATOM 1147 CB GLU A 82 11.056 24.111 6.723 1.00 15.10 C ATOM 1148 CG GLU A 82 12.117 23.388 7.484 1.00 18.10 C ATOM 1149 CD GLU A 82 13.557 23.463 7.206 1.00 16.99 C ATOM 1150 OE1 GLU A 82 14.185 23.732 6.196 1.00 19.54 O ATOM 1151 OE2 GLU A 82 14.167 23.136 8.236 1.00 19.97 O ATOM 1152 HA GLU A 82 12.460 25.764 6.292 1.00 0.00 H ATOM 1153 HB2 GLU A 82 10.175 24.172 7.361 1.00 0.00 H ATOM 1154 HB3 GLU A 82 10.822 23.519 5.838 1.00 0.00 H ATOM 1155 HG2 GLU A 82 12.004 23.712 8.518 1.00 0.00 H ATOM 1156 HG3 GLU A 82 11.861 22.331 7.406 1.00 0.00 H ATOM 1157 H GLU A 82 10.220 26.188 7.947 1.00 0.00 H ATOM 1158 N ASN A 83 9.797 26.157 4.582 1.00 13.37 N ATOM 1159 CA ASN A 83 9.156 26.427 3.290 1.00 14.45 C ATOM 1160 C ASN A 83 9.560 27.790 2.737 1.00 14.74 C ATOM 1161 O ASN A 83 9.135 28.158 1.606 1.00 15.56 O ATOM 1162 CB ASN A 83 7.662 26.296 3.509 1.00 16.48 C ATOM 1163 CG ASN A 83 7.168 24.861 3.497 1.00 20.09 C ATOM 1164 OD1 ASN A 83 5.955 24.626 3.247 1.00 22.91 O ATOM 1165 ND2 ASN A 83 8.034 23.882 3.722 1.00 19.82 N ATOM 1166 HA ASN A 83 9.481 25.714 2.532 1.00 0.00 H ATOM 1167 HB2 ASN A 83 7.415 26.737 4.475 1.00 0.00 H ATOM 1168 HB3 ASN A 83 7.149 26.844 2.719 1.00 0.00 H ATOM 1169 HD22 ASN A 83 9.029 24.105 3.926 1.00 0.00 H ATOM 1170 HD21 ASN A 83 7.718 22.892 3.695 1.00 0.00 H ATOM 1171 H ASN A 83 9.252 26.436 5.423 1.00 0.00 H ATOM 1172 N ASN A 84 10.398 28.547 3.428 1.00 14.34 N ATOM 1173 CA ASN A 84 10.800 29.873 3.006 1.00 13.93 C ATOM 1174 C ASN A 84 9.561 30.809 3.041 1.00 14.19 C ATOM 1175 O ASN A 84 9.472 31.597 2.100 1.00 15.04 O ATOM 1176 CB ASN A 84 11.451 29.977 1.626 1.00 13.80 C ATOM 1177 CG ASN A 84 12.331 31.216 1.463 1.00 13.21 C ATOM 1178 OD1 ASN A 84 12.796 31.508 0.344 1.00 15.18 O ATOM 1179 ND2 ASN A 84 12.631 31.918 2.532 1.00 10.63 N ATOM 1180 HA ASN A 84 11.578 30.166 3.711 1.00 0.00 H ATOM 1181 HB2 ASN A 84 12.067 29.092 1.466 1.00 0.00 H ATOM 1182 HB3 ASN A 84 10.663 30.011 0.873 1.00 0.00 H ATOM 1183 HD22 ASN A 84 12.231 31.656 3.455 1.00 0.00 H ATOM 1184 HD21 ASN A 84 13.268 32.736 2.455 1.00 0.00 H ATOM 1185 H ASN A 84 10.786 28.171 4.317 1.00 0.00 H ATOM 1186 N GLN A 85 8.712 30.681 4.018 1.00 14.00 N ATOM 1187 CA GLN A 85 7.551 31.519 4.245 1.00 13.70 C ATOM 1188 C GLN A 85 7.968 32.506 5.379 1.00 13.76 C ATOM 1189 O GLN A 85 8.546 32.024 6.359 1.00 12.98 O ATOM 1190 CB GLN A 85 6.271 30.813 4.642 1.00 14.21 C ATOM 1191 CG GLN A 85 5.995 29.590 3.775 1.00 17.03 C ATOM 1192 CD GLN A 85 4.814 28.771 4.143 1.00 17.92 C ATOM 1193 OE1 GLN A 85 3.742 28.873 3.515 1.00 20.87 O ATOM 1194 NE2 GLN A 85 4.916 27.859 5.087 1.00 18.10 N ATOM 1195 HA GLN A 85 7.296 31.989 3.295 1.00 0.00 H ATOM 1196 HB2 GLN A 85 6.353 30.495 5.682 1.00 0.00 H ATOM 1197 HB3 GLN A 85 5.439 31.510 4.541 1.00 0.00 H ATOM 1198 HG2 GLN A 85 5.853 29.935 2.751 1.00 0.00 H ATOM 1199 HG3 GLN A 85 6.873 28.946 3.822 1.00 0.00 H ATOM 1200 HE22 GLN A 85 5.803 27.760 5.621 1.00 0.00 H ATOM 1201 HE21 GLN A 85 4.110 27.237 5.299 1.00 0.00 H ATOM 1202 H GLN A 85 8.881 29.910 4.695 1.00 0.00 H ATOM 1203 N LEU A 86 7.629 33.776 5.202 1.00 13.23 N ATOM 1204 CA LEU A 86 7.923 34.805 6.210 1.00 12.49 C ATOM 1205 C LEU A 86 6.973 34.609 7.392 1.00 11.96 C ATOM 1206 O LEU A 86 5.738 34.648 7.130 1.00 12.75 O ATOM 1207 CB LEU A 86 7.621 36.166 5.607 1.00 13.11 C ATOM 1208 CG LEU A 86 8.269 37.464 5.984 1.00 13.04 C ATOM 1209 CD1 LEU A 86 7.257 38.605 5.869 1.00 13.59 C ATOM 1210 CD2 LEU A 86 9.008 37.435 7.290 1.00 12.00 C ATOM 1211 HA LEU A 86 8.964 34.736 6.526 1.00 0.00 H ATOM 1212 HB2 LEU A 86 7.809 36.053 4.539 1.00 0.00 H ATOM 1213 HB3 LEU A 86 6.555 36.321 5.772 1.00 0.00 H ATOM 1214 HG LEU A 86 9.066 37.649 5.264 1.00 0.00 H ATOM 1215 HD21 LEU A 86 8.315 37.181 8.092 1.00 0.00 H ATOM 1216 HD22 LEU A 86 9.800 36.687 7.242 1.00 0.00 H ATOM 1217 HD23 LEU A 86 9.444 38.416 7.481 1.00 0.00 H ATOM 1218 HD11 LEU A 86 6.897 38.668 4.842 1.00 0.00 H ATOM 1219 HD12 LEU A 86 6.418 38.414 6.538 1.00 0.00 H ATOM 1220 HD13 LEU A 86 7.737 39.544 6.145 1.00 0.00 H ATOM 1221 H LEU A 86 7.142 34.052 4.326 1.00 0.00 H ATOM 1222 N ALA A 87 7.473 34.500 8.580 1.00 11.24 N ATOM 1223 CA ALA A 87 6.664 34.343 9.780 1.00 11.28 C ATOM 1224 C ALA A 87 6.486 35.723 10.439 1.00 11.67 C ATOM 1225 O ALA A 87 5.373 35.969 10.913 1.00 12.47 O ATOM 1226 CB ALA A 87 7.173 33.341 10.774 1.00 11.83 C ATOM 1227 HA ALA A 87 5.709 33.931 9.454 1.00 0.00 H ATOM 1228 HB1 ALA A 87 7.223 32.359 10.305 1.00 0.00 H ATOM 1229 HB2 ALA A 87 8.168 33.636 11.109 1.00 0.00 H ATOM 1230 HB3 ALA A 87 6.497 33.303 11.628 1.00 0.00 H ATOM 1231 H ALA A 87 8.508 34.526 8.683 1.00 0.00 H ATOM 1232 N GLY A 88 7.557 36.509 10.391 1.00 11.66 N ATOM 1233 CA GLY A 88 7.442 37.895 10.973 1.00 11.21 C ATOM 1234 C GLY A 88 8.788 38.566 11.081 1.00 9.65 C ATOM 1235 O GLY A 88 9.836 38.002 10.719 1.00 9.44 O ATOM 1236 HA3 GLY A 88 7.000 37.826 11.967 1.00 0.00 H ATOM 1237 HA2 GLY A 88 6.797 38.496 10.331 1.00 0.00 H ATOM 1238 H GLY A 88 8.446 36.178 9.965 1.00 0.00 H ATOM 1239 N VAL A 89 8.770 39.807 11.517 1.00 8.96 N ATOM 1240 CA VAL A 89 9.956 40.641 11.694 1.00 8.61 C ATOM 1241 C VAL A 89 9.935 41.035 13.177 1.00 8.18 C ATOM 1242 O VAL A 89 8.929 41.569 13.699 1.00 6.77 O ATOM 1243 CB VAL A 89 9.986 41.848 10.715 1.00 8.96 C ATOM 1244 CG1 VAL A 89 11.321 42.582 10.762 1.00 9.23 C ATOM 1245 CG2 VAL A 89 9.678 41.380 9.303 1.00 8.47 C ATOM 1246 HA VAL A 89 10.877 40.113 11.448 1.00 0.00 H ATOM 1247 HB VAL A 89 9.219 42.555 11.030 1.00 0.00 H ATOM 1248 HG11 VAL A 89 11.494 42.955 11.772 1.00 0.00 H ATOM 1249 HG12 VAL A 89 12.121 41.896 10.485 1.00 0.00 H ATOM 1250 HG13 VAL A 89 11.299 43.418 10.063 1.00 0.00 H ATOM 1251 HG21 VAL A 89 10.424 40.648 8.993 1.00 0.00 H ATOM 1252 HG22 VAL A 89 8.688 40.924 9.281 1.00 0.00 H ATOM 1253 HG23 VAL A 89 9.702 42.233 8.625 1.00 0.00 H ATOM 1254 H VAL A 89 7.847 40.224 11.752 1.00 0.00 H ATOM 1255 N ILE A 90 11.087 40.737 13.827 1.00 7.11 N ATOM 1256 CA ILE A 90 11.089 40.988 15.304 1.00 6.80 C ATOM 1257 C ILE A 90 12.335 41.732 15.719 1.00 6.44 C ATOM 1258 O ILE A 90 13.171 41.877 14.840 1.00 7.88 O ATOM 1259 CB ILE A 90 10.981 39.591 16.020 1.00 7.32 C ATOM 1260 CG1 ILE A 90 12.233 38.760 15.612 1.00 6.96 C ATOM 1261 CG2 ILE A 90 9.619 38.904 15.755 1.00 6.98 C ATOM 1262 CD1 ILE A 90 12.358 37.363 16.349 1.00 9.11 C ATOM 1263 HA ILE A 90 10.245 41.616 15.590 1.00 0.00 H ATOM 1264 HB ILE A 90 10.990 39.700 17.104 1.00 0.00 H ATOM 1265 HG12 ILE A 90 12.186 38.577 14.539 1.00 0.00 H ATOM 1266 HG13 ILE A 90 13.122 39.348 15.841 1.00 0.00 H ATOM 1267 HD11 ILE A 90 12.420 37.526 17.425 1.00 0.00 H ATOM 1268 HD12 ILE A 90 11.483 36.754 16.122 1.00 0.00 H ATOM 1269 HD13 ILE A 90 13.257 36.852 16.005 1.00 0.00 H ATOM 1270 HG21 ILE A 90 8.815 39.539 16.126 1.00 0.00 H ATOM 1271 HG22 ILE A 90 9.495 38.747 14.683 1.00 0.00 H ATOM 1272 HG23 ILE A 90 9.592 37.943 16.270 1.00 0.00 H ATOM 1273 H ILE A 90 11.918 40.357 13.331 1.00 0.00 H ATOM 1274 N THR A 91 12.378 42.197 16.991 1.00 6.13 N ATOM 1275 CA THR A 91 13.587 42.977 17.418 1.00 5.38 C ATOM 1276 C THR A 91 13.852 42.912 18.902 1.00 3.95 C ATOM 1277 O THR A 91 12.836 42.677 19.611 1.00 3.70 O ATOM 1278 CB THR A 91 13.252 44.510 17.009 1.00 4.41 C ATOM 1279 OG1 THR A 91 14.520 45.167 17.128 1.00 3.34 O ATOM 1280 CG2 THR A 91 12.077 45.088 17.802 1.00 4.97 C ATOM 1281 HA THR A 91 14.479 42.569 16.942 1.00 0.00 H ATOM 1282 HB THR A 91 12.868 44.640 15.997 1.00 0.00 H ATOM 1283 HG1 THR A 91 15.169 44.744 16.512 1.00 0.00 H ATOM 1284 HG23 THR A 91 11.185 44.490 17.615 1.00 0.00 H ATOM 1285 HG21 THR A 91 12.313 45.068 18.866 1.00 0.00 H ATOM 1286 HG22 THR A 91 11.899 46.116 17.488 1.00 0.00 H ATOM 1287 H THR A 91 11.596 42.018 17.652 1.00 0.00 H ATOM 1288 N HIS A 92 15.043 43.073 19.422 1.00 4.68 N ATOM 1289 CA HIS A 92 15.372 43.218 20.842 1.00 3.05 C ATOM 1290 C HIS A 92 15.104 44.677 21.267 1.00 2.42 C ATOM 1291 O HIS A 92 15.046 45.012 22.463 1.00 2.00 O ATOM 1292 CB HIS A 92 16.885 42.963 21.016 1.00 3.08 C ATOM 1293 CG HIS A 92 17.174 41.490 20.856 1.00 6.57 C ATOM 1294 ND1 HIS A 92 18.232 41.023 20.084 1.00 4.78 N ATOM 1295 CD2 HIS A 92 16.566 40.487 21.470 1.00 5.96 C ATOM 1296 CE1 HIS A 92 18.136 39.649 20.235 1.00 2.00 C ATOM 1297 NE2 HIS A 92 17.195 39.306 21.104 1.00 2.00 N ATOM 1298 HA HIS A 92 14.778 42.523 21.435 1.00 0.00 H ATOM 1299 HB2 HIS A 92 17.437 43.525 20.262 1.00 0.00 H ATOM 1300 HB3 HIS A 92 17.196 43.288 22.009 1.00 0.00 H ATOM 1301 HD2 HIS A 92 15.716 40.574 22.147 1.00 0.00 H ATOM 1302 HE1 HIS A 92 18.761 38.933 19.701 1.00 0.00 H ATOM 1303 H HIS A 92 15.841 43.101 18.755 1.00 0.00 H ATOM 1304 N THR A 93 14.852 45.511 20.238 1.00 2.00 N ATOM 1305 CA THR A 93 14.637 46.951 20.540 1.00 3.33 C ATOM 1306 C THR A 93 13.378 47.112 21.330 1.00 5.19 C ATOM 1307 O THR A 93 12.313 46.695 20.864 1.00 6.29 O ATOM 1308 CB THR A 93 14.617 47.840 19.224 1.00 2.00 C ATOM 1309 OG1 THR A 93 15.933 47.720 18.635 1.00 2.00 O ATOM 1310 CG2 THR A 93 14.392 49.309 19.660 1.00 3.63 C ATOM 1311 HA THR A 93 15.477 47.307 21.136 1.00 0.00 H ATOM 1312 HB THR A 93 13.841 47.535 18.522 1.00 0.00 H ATOM 1313 HG1 THR A 93 15.973 48.260 17.806 1.00 0.00 H ATOM 1314 HG23 THR A 93 13.402 49.407 20.105 1.00 0.00 H ATOM 1315 HG21 THR A 93 15.150 49.590 20.391 1.00 0.00 H ATOM 1316 HG22 THR A 93 14.467 49.961 18.789 1.00 0.00 H ATOM 1317 H THR A 93 14.809 45.157 19.261 1.00 0.00 H ATOM 1318 N GLY A 94 13.453 47.632 22.565 1.00 6.69 N ATOM 1319 CA GLY A 94 12.190 47.812 23.299 1.00 8.06 C ATOM 1320 C GLY A 94 11.768 46.572 24.080 1.00 9.07 C ATOM 1321 O GLY A 94 10.689 46.562 24.721 1.00 9.24 O ATOM 1322 HA3 GLY A 94 11.405 48.055 22.583 1.00 0.00 H ATOM 1323 HA2 GLY A 94 12.311 48.639 23.999 1.00 0.00 H ATOM 1324 H GLY A 94 14.366 47.897 22.986 1.00 0.00 H ATOM 1325 N ALA A 95 12.556 45.525 24.002 1.00 9.95 N ATOM 1326 CA ALA A 95 12.265 44.245 24.719 1.00 11.57 C ATOM 1327 C ALA A 95 13.311 44.165 25.823 1.00 13.16 C ATOM 1328 O ALA A 95 14.510 44.535 25.554 1.00 13.68 O ATOM 1329 CB ALA A 95 12.391 43.104 23.711 1.00 11.29 C ATOM 1330 HA ALA A 95 11.265 44.187 25.149 1.00 0.00 H ATOM 1331 HB1 ALA A 95 11.676 43.255 22.902 1.00 0.00 H ATOM 1332 HB2 ALA A 95 13.403 43.089 23.306 1.00 0.00 H ATOM 1333 HB3 ALA A 95 12.183 42.157 24.209 1.00 0.00 H ATOM 1334 H ALA A 95 13.415 45.588 23.420 1.00 0.00 H ATOM 1335 N SER A 96 13.034 43.695 27.024 1.00 13.70 N ATOM 1336 CA SER A 96 14.181 43.689 27.986 1.00 15.82 C ATOM 1337 C SER A 96 15.059 42.453 27.814 1.00 16.38 C ATOM 1338 O SER A 96 14.651 41.320 27.514 1.00 16.06 O ATOM 1339 CB SER A 96 13.650 43.828 29.401 1.00 17.52 C ATOM 1340 OG SER A 96 12.956 42.644 29.739 1.00 19.45 O ATOM 1341 HA SER A 96 14.826 44.542 27.775 1.00 0.00 H ATOM 1342 HB2 SER A 96 12.973 44.680 29.458 1.00 0.00 H ATOM 1343 HB3 SER A 96 14.479 43.978 30.092 1.00 0.00 H ATOM 1344 HG SER A 96 13.575 41.873 29.684 1.00 0.00 H ATOM 1345 H SER A 96 12.087 43.353 27.284 1.00 0.00 H ATOM 1346 N GLY A 97 16.342 42.693 27.945 1.00 16.82 N ATOM 1347 CA GLY A 97 17.365 41.645 27.825 1.00 17.37 C ATOM 1348 C GLY A 97 17.498 41.193 26.382 1.00 17.44 C ATOM 1349 O GLY A 97 17.672 42.031 25.467 1.00 18.93 O ATOM 1350 HA3 GLY A 97 17.080 40.793 28.443 1.00 0.00 H ATOM 1351 HA2 GLY A 97 18.322 42.037 28.168 1.00 0.00 H ATOM 1352 H GLY A 97 16.648 43.667 28.142 1.00 0.00 H ATOM 1353 N ASN A 98 17.409 39.879 26.235 1.00 16.38 N ATOM 1354 CA ASN A 98 17.509 39.240 24.916 1.00 15.15 C ATOM 1355 C ASN A 98 16.138 38.792 24.435 1.00 12.96 C ATOM 1356 O ASN A 98 16.080 37.919 23.544 1.00 12.45 O ATOM 1357 CB ASN A 98 18.537 38.096 24.930 1.00 18.19 C ATOM 1358 CG ASN A 98 19.852 38.589 24.366 1.00 22.46 C ATOM 1359 OD1 ASN A 98 20.798 38.934 25.159 1.00 24.76 O ATOM 1360 ND2 ASN A 98 19.853 38.714 23.035 1.00 22.60 N ATOM 1361 HA ASN A 98 17.875 39.974 24.198 1.00 0.00 H ATOM 1362 HB2 ASN A 98 18.686 37.754 25.954 1.00 0.00 H ATOM 1363 HB3 ASN A 98 18.169 37.269 24.323 1.00 0.00 H ATOM 1364 HD22 ASN A 98 19.029 38.401 22.483 1.00 0.00 H ATOM 1365 HD21 ASN A 98 20.677 39.125 22.552 1.00 0.00 H ATOM 1366 H ASN A 98 17.265 39.284 27.076 1.00 0.00 H ATOM 1367 N ASN A 99 15.114 39.366 25.024 1.00 12.00 N ATOM 1368 CA ASN A 99 13.735 39.079 24.625 1.00 11.85 C ATOM 1369 C ASN A 99 13.545 39.833 23.283 1.00 10.66 C ATOM 1370 O ASN A 99 14.376 40.646 22.942 1.00 10.15 O ATOM 1371 CB ASN A 99 12.755 39.499 25.701 1.00 15.84 C ATOM 1372 CG ASN A 99 12.588 38.534 26.837 1.00 20.75 C ATOM 1373 OD1 ASN A 99 11.550 37.881 26.978 1.00 23.76 O ATOM 1374 ND2 ASN A 99 13.548 38.335 27.745 1.00 23.28 N ATOM 1375 HA ASN A 99 13.544 38.014 24.494 1.00 0.00 H ATOM 1376 HB2 ASN A 99 13.096 40.448 26.114 1.00 0.00 H ATOM 1377 HB3 ASN A 99 11.781 39.638 25.232 1.00 0.00 H ATOM 1378 HD22 ASN A 99 14.445 38.858 27.677 1.00 0.00 H ATOM 1379 HD21 ASN A 99 13.399 37.658 28.520 1.00 0.00 H ATOM 1380 H ASN A 99 15.287 40.043 25.795 1.00 0.00 H ATOM 1381 N PHE A 100 12.473 39.514 22.593 1.00 9.71 N ATOM 1382 CA PHE A 100 12.054 40.055 21.345 1.00 9.78 C ATOM 1383 C PHE A 100 10.617 40.610 21.456 1.00 9.25 C ATOM 1384 O PHE A 100 9.812 40.086 22.230 1.00 10.24 O ATOM 1385 CB PHE A 100 12.024 39.001 20.220 1.00 7.09 C ATOM 1386 CG PHE A 100 13.323 38.652 19.617 1.00 6.79 C ATOM 1387 CD1 PHE A 100 13.918 39.453 18.661 1.00 7.98 C ATOM 1388 CD2 PHE A 100 13.921 37.431 20.002 1.00 7.77 C ATOM 1389 CE1 PHE A 100 15.105 39.100 18.088 1.00 6.13 C ATOM 1390 CE2 PHE A 100 15.156 37.082 19.422 1.00 6.50 C ATOM 1391 CZ PHE A 100 15.700 37.937 18.456 1.00 5.86 C ATOM 1392 HA PHE A 100 12.778 40.833 21.103 1.00 0.00 H ATOM 1393 HB2 PHE A 100 11.592 38.088 20.631 1.00 0.00 H ATOM 1394 HB3 PHE A 100 11.380 39.380 19.426 1.00 0.00 H ATOM 1395 HD2 PHE A 100 13.439 36.777 20.729 1.00 0.00 H ATOM 1396 HE2 PHE A 100 15.675 36.170 19.717 1.00 0.00 H ATOM 1397 HZ PHE A 100 16.640 37.657 17.980 1.00 0.00 H ATOM 1398 HE1 PHE A 100 15.570 39.745 17.343 1.00 0.00 H ATOM 1399 HD1 PHE A 100 13.432 40.381 18.360 1.00 0.00 H ATOM 1400 H PHE A 100 11.860 38.782 23.006 1.00 0.00 H ATOM 1401 N VAL A 101 10.356 41.568 20.584 1.00 9.26 N ATOM 1402 CA VAL A 101 9.002 42.142 20.423 1.00 7.94 C ATOM 1403 C VAL A 101 8.780 42.190 18.911 1.00 8.37 C ATOM 1404 O VAL A 101 9.789 42.197 18.209 1.00 8.51 O ATOM 1405 CB VAL A 101 8.778 43.498 21.128 1.00 5.80 C ATOM 1406 CG1 VAL A 101 8.613 43.367 22.642 1.00 6.25 C ATOM 1407 CG2 VAL A 101 9.865 44.490 20.781 1.00 6.99 C ATOM 1408 HA VAL A 101 8.260 41.523 20.926 1.00 0.00 H ATOM 1409 HB VAL A 101 7.832 43.883 20.747 1.00 0.00 H ATOM 1410 HG11 VAL A 101 7.752 42.735 22.859 1.00 0.00 H ATOM 1411 HG12 VAL A 101 9.511 42.918 23.067 1.00 0.00 H ATOM 1412 HG13 VAL A 101 8.459 44.355 23.076 1.00 0.00 H ATOM 1413 HG21 VAL A 101 10.831 44.093 21.094 1.00 0.00 H ATOM 1414 HG22 VAL A 101 9.872 44.658 19.704 1.00 0.00 H ATOM 1415 HG23 VAL A 101 9.673 45.432 21.295 1.00 0.00 H ATOM 1416 H VAL A 101 11.129 41.931 19.990 1.00 0.00 H ATOM 1417 N GLU A 102 7.557 42.247 18.467 1.00 9.89 N ATOM 1418 CA GLU A 102 7.317 42.305 17.004 1.00 11.87 C ATOM 1419 C GLU A 102 7.590 43.700 16.485 1.00 12.91 C ATOM 1420 O GLU A 102 7.460 44.655 17.284 1.00 14.12 O ATOM 1421 CB GLU A 102 5.844 41.884 16.806 1.00 12.97 C ATOM 1422 HA GLU A 102 7.980 41.644 16.446 1.00 0.00 H ATOM 1423 HB2 GLU A 102 5.701 40.875 17.192 1.00 0.00 H ATOM 1424 HB3 GLU A 102 5.195 42.575 17.343 1.00 0.00 H ATOM 1425 H GLU A 102 6.757 42.252 19.131 1.00 0.00 H ATOM 1426 N CYS A 103 7.905 43.845 15.238 1.00 14.08 N ATOM 1427 CA CYS A 103 8.111 45.126 14.516 1.00 15.37 C ATOM 1428 C CYS A 103 6.734 45.457 13.915 1.00 17.91 C ATOM 1429 O CYS A 103 6.124 44.549 13.278 1.00 19.71 O ATOM 1430 CB CYS A 103 9.147 44.974 13.443 1.00 11.68 C ATOM 1431 SG CYS A 103 10.785 44.606 14.164 1.00 11.17 S ATOM 1432 HA CYS A 103 8.473 45.918 15.172 1.00 0.00 H ATOM 1433 HB2 CYS A 103 9.208 45.900 12.872 1.00 0.00 H ATOM 1434 HB3 CYS A 103 8.857 44.159 12.780 1.00 0.00 H ATOM 1435 H CYS A 103 8.026 42.973 14.684 1.00 0.00 H ATOM 1436 N THR A 104 6.325 46.688 14.055 1.00 19.65 N ATOM 1437 CA THR A 104 4.996 47.114 13.627 1.00 21.29 C ATOM 1438 C THR A 104 4.779 47.527 12.217 1.00 21.67 C ATOM 1439 O THR A 104 3.566 47.420 11.890 1.00 22.30 O ATOM 1440 CB THR A 104 4.483 48.242 14.640 1.00 22.64 C ATOM 1441 OG1 THR A 104 5.442 49.330 14.525 1.00 25.41 O ATOM 1442 CG2 THR A 104 4.381 47.742 16.077 1.00 23.80 C ATOM 1443 HA THR A 104 4.407 46.197 13.658 1.00 0.00 H ATOM 1444 OXT THR A 104 5.743 47.870 11.532 1.00 24.11 O ATOM 1445 HB THR A 104 3.471 48.558 14.385 1.00 0.00 H ATOM 1446 HG1 THR A 104 6.343 49.002 14.773 1.00 0.00 H ATOM 1447 HG23 THR A 104 3.656 46.930 16.127 1.00 0.00 H ATOM 1448 HG21 THR A 104 5.356 47.381 16.405 1.00 0.00 H ATOM 1449 HG22 THR A 104 4.058 48.559 16.723 1.00 0.00 H ATOM 1450 H THR A 104 6.965 47.387 14.484 1.00 0.00 H TER 1451 THR A 104 HETATM 1452 O HOH 1 7.822 50.654 3.270 1.00 16.26 O HETATM 1453 O HOH 2 13.948 51.178 4.786 1.00 9.35 O HETATM 1454 O HOH 3 9.105 47.306 -0.753 1.00 17.11 O HETATM 1455 O HOH 4 14.731 47.267 -0.386 1.00 23.21 O HETATM 1456 O HOH 5 17.417 43.838 3.752 1.00 11.50 O HETATM 1457 O HOH 6 17.494 46.187 5.015 1.00 12.75 O HETATM 1458 O HOH 7 20.434 40.598 6.053 1.00 10.66 O HETATM 1459 O HOH 8 16.953 32.153 -1.539 1.00 37.81 O HETATM 1460 O HOH 9 25.239 36.149 3.483 1.00 38.32 O HETATM 1461 O HOH 10 22.548 26.931 8.386 1.00 13.14 O HETATM 1462 O HOH 11 17.846 21.392 8.743 1.00 47.02 O HETATM 1463 O HOH 12 25.398 21.526 1.313 1.00 34.10 O HETATM 1464 O HOH 13 27.081 22.198 4.898 1.00 9.45 O HETATM 1465 O HOH 14 26.308 22.015 7.951 1.00 19.23 O HETATM 1466 O HOH 15 27.109 38.375 17.213 1.00 21.88 O HETATM 1467 O HOH 16 22.710 27.569 13.071 1.00 29.27 O HETATM 1468 O HOH 17 11.073 26.727 15.501 1.00 20.22 O HETATM 1469 O HOH 18 0.756 31.925 22.724 1.00 28.04 O HETATM 1470 O HOH 19 -2.890 33.812 15.567 1.00 28.26 O HETATM 1471 O HOH 20 -3.824 31.861 10.893 1.00 33.07 O HETATM 1472 O HOH 21 3.023 34.896 10.372 1.00 27.75 O HETATM 1473 O HOH 22 16.582 50.551 7.367 1.00 29.88 O HETATM 1474 O HOH 23 26.276 37.098 15.102 1.00 12.20 O HETATM 1475 O HOH 24 29.576 38.371 14.600 1.00 17.65 O HETATM 1476 O HOH 25 21.902 41.119 18.707 1.00 30.86 O HETATM 1477 O HOH 26 7.717 24.643 7.942 1.00 31.32 O HETATM 1478 O HOH 27 9.446 41.957 26.390 1.00 39.05 O HETATM 1479 O HOH 28 9.318 26.962 23.695 1.00 45.38 O HETATM 1480 O HOH 29 12.501 45.079 31.956 1.00 31.76 O HETATM 1481 O HOH 30 19.705 44.382 12.912 1.00 7.22 O HETATM 1482 O HOH 31 7.919 30.901 27.024 1.00 42.65 O HETATM 1483 O HOH 32 3.361 27.060 6.572 1.00 25.49 O HETATM 1484 O HOH 33 2.081 22.394 6.199 1.00 48.95 O HETATM 1485 O HOH 34 10.439 47.998 19.708 1.00 9.72 O HETATM 1486 O HOH 35 27.311 42.150 7.661 1.00 33.35 O HETATM 1487 O HOH 36 19.678 43.030 5.569 1.00 6.97 O HETATM 1488 O HOH 37 15.948 27.862 27.389 1.00 42.61 O HETATM 1489 O HOH 38 15.400 50.088 2.695 1.00 6.20 O HETATM 1490 O HOH 39 5.206 52.173 0.121 1.00 25.91 O HETATM 1491 O HOH 40 20.794 30.909 19.165 1.00 35.21 O HETATM 1492 O HOH 41 23.114 27.316 15.879 1.00 33.38 O HETATM 1493 O HOH 42 19.857 26.149 13.196 1.00 40.59 O HETATM 1494 O HOH 43 8.896 26.592 17.501 1.00 32.43 O HETATM 1495 O HOH 44 2.150 29.753 15.979 1.00 42.65 O HETATM 1496 O HOH 45 -1.802 31.689 14.329 1.00 41.29 O HETATM 1497 O HOH 46 7.155 25.839 23.014 1.00 34.23 O HETATM 1498 O HOH 47 31.325 45.739 0.225 1.00 39.50 O HETATM 1499 O HOH 48 8.777 47.541 17.847 1.00 31.22 O HETATM 1500 O HOH 49 3.023 30.438 19.693 1.00 32.34 O HETATM 1501 O HOH 50 18.963 36.761 22.360 1.00 18.65 O HETATM 1502 O HOH 51 5.240 49.955 10.304 1.00 17.45 O HETATM 1503 O HOH 52 6.965 54.194 11.322 1.00 26.44 O HETATM 1504 O HOH 53 9.718 20.110 12.098 1.00 46.60 O HETATM 1505 O HOH 54 15.687 52.675 9.057 1.00 30.45 O HETATM 1506 O HOH 55 8.782 40.837 2.453 1.00 28.86 O HETATM 1507 O HOH 56 24.629 46.149 12.902 1.00 38.11 O HETATM 1508 O HOH 57 14.448 34.539 26.592 1.00 35.61 O HETATM 1509 O HOH 58 15.273 52.359 1.831 1.00 19.06 O HETATM 1510 O HOH 59 14.995 33.139 -2.730 1.00 33.01 O HETATM 1511 O HOH 60 13.593 20.337 9.416 1.00 35.10 O HETATM 1512 O HOH 61 4.757 54.457 1.933 1.00 23.55 O HETATM 1513 O HOH 62 16.660 48.923 4.702 1.00 14.47 O HETATM 1514 O HOH 63 16.173 45.183 -1.051 1.00 27.78 O HETATM 1515 O HOH 64 17.373 45.820 1.552 1.00 40.92 O HETATM 1516 O HOH 65 19.838 26.891 9.389 1.00 31.40 O HETATM 1517 O HOH 66 -3.438 35.588 11.652 1.00 51.36 O HETATM 1518 O HOH 67 -3.229 19.481 2.685 1.00 40.73 O HETATM 1519 O HOH 68 26.531 45.364 8.551 1.00 39.40 O HETATM 1520 O HOH 69 6.269 40.934 11.975 1.00 34.73 O HETATM 1521 O HOH 70 30.913 25.910 3.498 1.00 17.23 O HETATM 1522 O HOH 71 22.732 36.334 21.589 1.00 33.67 O HETATM 1523 O HOH 72 6.324 55.066 8.655 1.00 28.12 O HETATM 1524 O HOH 73 17.259 51.707 3.731 1.00 34.88 O HETATM 1525 O HOH 74 18.751 49.571 -2.951 1.00 48.34 O HETATM 1526 O HOH 75 16.768 21.495 2.211 1.00 40.93 O HETATM 1527 O HOH 76 20.835 22.573 -1.607 1.00 50.80 O HETATM 1528 O HOH 77 23.537 25.529 10.042 1.00 32.66 O HETATM 1529 O HOH 78 21.796 38.674 20.722 1.00 36.89 O HETATM 1530 O HOH 79 16.935 25.213 19.445 1.00 46.24 O HETATM 1531 O HOH 80 -4.120 33.755 8.570 1.00 46.39 O HETATM 1532 O HOH 81 16.232 48.193 16.161 1.00 24.48 O HETATM 1533 O HOH 82 3.415 32.542 1.932 1.00 42.65 O HETATM 1534 O HOH 83 3.694 38.123 11.874 1.00 36.89 O HETATM 1535 O HOH 84 3.980 40.143 10.142 1.00 41.85 O HETATM 1536 O HOH 85 5.152 41.984 20.251 1.00 16.53 O HETATM 1537 O HOH 86 2.388 50.132 11.141 1.00 45.86 O HETATM 1538 O HOH 87 14.767 48.580 -2.993 1.00 22.46 O HETATM 1539 O HOH 88 37.349 25.220 -1.451 1.00 27.48 O HETATM 1540 O HOH 89 29.327 29.572 21.153 1.00 29.41 O HETATM 1541 O HOH 90 23.270 22.771 9.693 1.00 47.92 O HETATM 1542 O HOH 91 24.675 44.178 0.764 1.00 40.15 O HETATM 1543 P UNN A 92 19.664 35.430 19.218 1.00 0.20 P HETATM 1544 O1P UNN A 92 20.756 35.186 18.064 1.00 -0.55 O HETATM 1545 O2P UNN A 92 20.158 36.605 20.027 1.00 -0.55 O HETATM 1546 O3P UNN A 92 18.407 35.450 18.511 1.00 -0.55 O HETATM 1547 O2 UNN A 92 19.903 34.154 20.106 1.00 -0.26 O HETATM 1548 C2 UNN A 92 19.233 33.920 21.334 1.00 0.17 C HETATM 1549 C3 UNN A 92 20.277 33.764 22.453 1.00 0.12 C HETATM 1550 C4 UNN A 92 19.426 33.073 23.541 1.00 0.11 C HETATM 1551 C5 UNN A 92 18.759 33.935 24.586 1.00 0.07 C HETATM 1552 O5 UNN A 92 17.770 34.775 23.990 1.00 -0.39 O HETATM 1553 H1 UNN A 92 17.111 34.236 23.569 1.00 0.21 H HETATM 1554 H2 UNN A 92 18.279 33.288 25.335 1.00 0.06 H HETATM 1555 H3 UNN A 92 19.519 34.562 25.075 1.00 0.06 H HETATM 1556 O4 UNN A 92 18.389 32.312 22.824 1.00 -0.34 O HETATM 1557 C1 UNN A 92 18.504 32.608 21.416 1.00 0.20 C HETATM 1558 N9 UNN A 92 17.188 32.423 20.848 1.00 -0.21 N HETATM 1559 C8 UNN A 92 16.781 31.361 20.131 1.00 0.10 C HETATM 1560 N7 UNN A 92 15.492 31.271 20.035 1.00 -0.32 N HETATM 1561 C5 UNN A 92 14.960 32.331 20.765 1.00 0.09 C HETATM 1562 C6 UNN A 92 13.637 32.755 21.028 1.00 0.21 C HETATM 1563 O6 UNN A 92 12.527 32.298 20.669 1.00 -0.41 O HETATM 1564 N1 UNN A 92 13.574 33.890 21.815 1.00 -0.18 N HETATM 1565 C2 UNN A 92 14.728 34.526 22.267 1.00 0.23 C HETATM 1566 N2 UNN A 92 14.485 35.596 23.032 1.00 -0.28 N HETATM 1567 H11 UNN A 92 15.269 36.141 23.419 1.00 0.19 H HETATM 1568 H12 UNN A 92 13.514 35.875 23.233 1.00 0.19 H HETATM 1569 N3 UNN A 92 15.948 34.153 22.039 1.00 -0.28 N HETATM 1570 C4 UNN A 92 16.019 33.040 21.275 1.00 0.12 C HETATM 1571 H10 UNN A 92 12.680 34.263 22.065 1.00 0.25 H HETATM 1572 H9 UNN A 92 17.466 30.647 19.676 1.00 0.12 H HETATM 1573 H8 UNN A 92 19.154 31.862 20.935 1.00 0.10 H HETATM 1574 H4 UNN A 92 20.085 32.374 24.078 1.00 0.06 H HETATM 1575 O3 UNN A 92 21.265 32.832 22.049 1.00 -0.39 O HETATM 1576 H6 UNN A 92 21.811 33.222 21.377 1.00 0.21 H HETATM 1577 H5 UNN A 92 20.718 34.720 22.773 1.00 0.07 H HETATM 1578 H7 UNN A 92 18.545 34.755 21.533 1.00 0.07 H CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 18 17 117 CONECT 75 74 1431 CONECT 117 18 116 CONECT 1431 75 1430 CONECT 1543 1544 1545 1546 1547 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1543 CONECT 1547 1543 1548 CONECT 1548 1547 1549 1557 1578 CONECT 1549 1548 1550 1575 1577 CONECT 1550 1549 1551 1556 1574 CONECT 1551 1550 1552 1554 1555 CONECT 1552 1551 1553 CONECT 1553 1552 CONECT 1554 1551 CONECT 1555 1551 CONECT 1556 1550 1557 CONECT 1557 1548 1556 1558 1573 CONECT 1558 1557 1559 1570 CONECT 1559 1558 1560 1572 CONECT 1560 1559 1561 CONECT 1561 1560 1562 1570 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 1565 1571 CONECT 1565 1564 1566 1569 CONECT 1566 1565 1567 1568 CONECT 1567 1566 CONECT 1568 1566 CONECT 1569 1565 1570 CONECT 1570 1558 1561 1569 CONECT 1571 1564 CONECT 1572 1559 CONECT 1573 1557 CONECT 1574 1550 CONECT 1575 1549 1576 CONECT 1576 1575 CONECT 1577 1549 CONECT 1578 1548 MASTER 0 0 0 0 0 0 0 0 1577 1 44 8 END
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Structure:
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Related entries of code: 1rnt
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b2m
RCSB PDB
PDBbind
104aa, >1B2M_2|Chains... *
1det
RCSB PDB
PDBbind
104aa, >1DET_1|Chain... at 100%
1rgk
RCSB PDB
PDBbind
104aa, >1RGK_1|Chain... at 98%
1rgl
RCSB PDB
PDBbind
104aa, >1RGL_1|Chain... at 98%
4odk
RCSB PDB
PDBbind
16aa, >4ODK_2|Chains... at 93%
6rnt
RCSB PDB
PDBbind
104aa, >6RNT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1det
RCSB PDB
PDBbind
2GP
1rgl
RCSB PDB
PDBbind
2GP
Entry Information
PDB ID
1rnt
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease T1
Ligand Name
2GP
EC.Number
E.C.3.1.27.3
Resolution
1.9(Å)
Affinity (Kd/Ki/IC50)
Kd=6.5uM
Release Year
1987
Protein/NA Sequence
Check fasta file
Primary Reference
Acta Crystallogr.,Sect.Bv43;pp.549
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
8
P
Molecular Weight
364.229
Exact Mass
364.066
No. of atoms
39
No. of bonds
41
Polar Surface Area
222.79
LOGP Value
-3.99 (
Computed with XLOGP3
)
-2.43 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 4
No. of Hydrogen Bond Acceptors: 7
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 13
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)n1cnc2c1nc(N)[nH]c2=O
InChI String
InChI=1S/C10H16N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(23-24(19,20)21)5(17)3(1-16)22-9/h2-3,5-6,9,16-17,19-21,24H,1H2,(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P00651
Entrez Gene ID
NCBI Entrez Gene ID:
5997907
ASD
Information of known allosteric effects of PDB entries
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