Browse entries in the PDBbind-CN Database
HEADER 6RNT_COMPLEX COMPND 6RNT_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 CA A 1 1 HET UNN A 210 35 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 6.905 -5.627 16.260 1.00 7.96 N ATOM 2 CA ALA A 1 6.234 -4.818 15.182 1.00 8.67 C ATOM 3 C ALA A 1 6.995 -3.490 15.087 1.00 11.49 C ATOM 4 O ALA A 1 7.597 -3.018 16.076 1.00 10.82 O ATOM 5 CB ALA A 1 4.719 -4.843 15.275 1.00 11.05 C ATOM 6 HA ALA A 1 6.312 -5.253 14.186 1.00 0.00 H ATOM 7 HB1 ALA A 1 4.368 -5.871 15.185 1.00 0.00 H ATOM 8 HB2 ALA A 1 4.409 -4.435 16.237 1.00 0.00 H ATOM 9 HB3 ALA A 1 4.297 -4.241 14.470 1.00 0.00 H ATOM 10 HN3 ALA A 1 6.858 -5.109 17.160 1.00 0.00 H ATOM 11 HN2 ALA A 1 7.900 -5.788 16.002 1.00 0.00 H ATOM 12 HN1 ALA A 1 6.419 -6.541 16.359 1.00 0.00 H ATOM 13 N CYS A 2 7.031 -2.917 13.881 1.00 9.62 N ATOM 14 CA CYS A 2 7.733 -1.622 13.634 1.00 4.25 C ATOM 15 C CYS A 2 6.735 -0.512 13.597 1.00 4.44 C ATOM 16 O CYS A 2 5.607 -0.701 13.086 1.00 7.24 O ATOM 17 CB CYS A 2 8.358 -1.643 12.175 1.00 6.16 C ATOM 18 SG CYS A 2 9.283 -3.155 11.951 1.00 7.43 S ATOM 19 HA CYS A 2 8.480 -1.485 14.415 1.00 0.00 H ATOM 20 HB2 CYS A 2 9.022 -0.788 12.051 1.00 0.00 H ATOM 21 HB3 CYS A 2 7.559 -1.592 11.435 1.00 0.00 H ATOM 22 H CYS A 2 6.554 -3.389 13.087 1.00 0.00 H ATOM 23 N ASP A 3 7.100 0.637 14.192 1.00 3.69 N ATOM 24 CA ASP A 3 6.156 1.749 14.126 1.00 7.65 C ATOM 25 C ASP A 3 6.369 2.388 12.731 1.00 7.61 C ATOM 26 O ASP A 3 5.396 2.993 12.192 1.00 9.30 O ATOM 27 CB ASP A 3 6.592 2.743 15.186 1.00 6.66 C ATOM 28 CG ASP A 3 6.102 2.214 16.562 1.00 16.36 C ATOM 29 OD1 ASP A 3 4.983 1.815 16.837 1.00 15.51 O ATOM 30 OD2 ASP A 3 6.888 2.178 17.499 1.00 9.66 O ATOM 31 HA ASP A 3 5.118 1.452 14.278 1.00 0.00 H ATOM 32 HB2 ASP A 3 7.678 2.831 15.188 1.00 0.00 H ATOM 33 HB3 ASP A 3 6.150 3.719 14.984 1.00 0.00 H ATOM 34 H ASP A 3 8.015 0.730 14.678 1.00 0.00 H ATOM 35 N TYR A 4 7.538 2.234 12.179 1.00 8.01 N ATOM 36 CA TYR A 4 7.846 2.795 10.837 1.00 6.89 C ATOM 37 C TYR A 4 8.743 1.781 10.147 1.00 8.78 C ATOM 38 O TYR A 4 9.661 1.219 10.799 1.00 5.22 O ATOM 39 CB TYR A 4 8.649 4.084 10.830 1.00 4.59 C ATOM 40 CG TYR A 4 7.898 5.276 11.509 1.00 5.49 C ATOM 41 CD1 TYR A 4 8.105 5.405 12.919 1.00 10.53 C ATOM 42 CD2 TYR A 4 7.048 6.154 10.878 1.00 8.54 C ATOM 43 CE1 TYR A 4 7.450 6.432 13.567 1.00 7.60 C ATOM 44 CE2 TYR A 4 6.400 7.163 11.555 1.00 11.14 C ATOM 45 CZ TYR A 4 6.605 7.278 12.932 1.00 14.12 C ATOM 46 OH TYR A 4 5.984 8.320 13.606 1.00 19.94 O ATOM 47 HA TYR A 4 6.884 3.002 10.369 1.00 0.00 H ATOM 48 HB3 TYR A 4 8.865 4.353 9.796 1.00 0.00 H ATOM 49 HB2 TYR A 4 9.584 3.914 11.363 1.00 0.00 H ATOM 50 HD2 TYR A 4 6.882 6.048 9.806 1.00 0.00 H ATOM 51 HE2 TYR A 4 5.743 7.855 11.029 1.00 0.00 H ATOM 52 HE1 TYR A 4 7.620 6.568 14.635 1.00 0.00 H ATOM 53 HD1 TYR A 4 8.755 4.718 13.461 1.00 0.00 H ATOM 54 HH TYR A 4 6.218 8.276 14.567 1.00 0.00 H ATOM 55 H TYR A 4 8.274 1.706 12.689 1.00 0.00 H ATOM 56 N THR A 5 8.395 1.505 8.914 1.00 5.74 N ATOM 57 CA THR A 5 9.217 0.542 8.121 1.00 6.28 C ATOM 58 C THR A 5 9.836 1.293 6.887 1.00 4.52 C ATOM 59 O THR A 5 8.903 1.791 6.193 1.00 6.75 O ATOM 60 CB THR A 5 8.375 -0.715 7.627 1.00 8.89 C ATOM 61 OG1 THR A 5 7.814 -1.318 8.870 1.00 8.34 O ATOM 62 CG2 THR A 5 9.220 -1.686 6.896 1.00 6.41 C ATOM 63 HA THR A 5 10.005 0.160 8.770 1.00 0.00 H ATOM 64 HB THR A 5 7.594 -0.423 6.925 1.00 0.00 H ATOM 65 HG1 THR A 5 7.242 -0.653 9.329 1.00 0.00 H ATOM 66 HG23 THR A 5 9.614 -1.216 5.995 1.00 0.00 H ATOM 67 HG21 THR A 5 10.046 -2.000 7.534 1.00 0.00 H ATOM 68 HG22 THR A 5 8.620 -2.554 6.622 1.00 0.00 H ATOM 69 H THR A 5 7.556 1.951 8.492 1.00 0.00 H ATOM 70 N CYS A 6 11.141 1.324 6.785 1.00 6.95 N ATOM 71 CA CYS A 6 11.717 2.063 5.655 1.00 7.00 C ATOM 72 C CYS A 6 12.386 0.967 4.785 1.00 4.57 C ATOM 73 O CYS A 6 13.488 0.586 5.166 1.00 6.67 O ATOM 74 CB CYS A 6 12.781 2.994 6.236 1.00 2.25 C ATOM 75 SG CYS A 6 12.034 4.344 7.125 1.00 5.90 S ATOM 76 HA CYS A 6 11.000 2.649 5.080 1.00 0.00 H ATOM 77 HB2 CYS A 6 13.387 3.394 5.423 1.00 0.00 H ATOM 78 HB3 CYS A 6 13.417 2.428 6.916 1.00 0.00 H ATOM 79 H CYS A 6 11.747 0.843 7.479 1.00 0.00 H ATOM 80 N GLY A 7 11.628 0.404 3.788 1.00 8.00 N ATOM 81 CA GLY A 7 12.364 -0.688 3.038 1.00 7.81 C ATOM 82 C GLY A 7 12.445 -1.917 3.954 1.00 7.95 C ATOM 83 O GLY A 7 11.388 -2.367 4.338 1.00 10.10 O ATOM 84 HA3 GLY A 7 13.368 -0.350 2.782 1.00 0.00 H ATOM 85 HA2 GLY A 7 11.823 -0.940 2.126 1.00 0.00 H ATOM 86 H GLY A 7 10.654 0.696 3.571 1.00 0.00 H ATOM 87 N SER A 8 13.663 -2.310 4.256 1.00 9.34 N ATOM 88 CA SER A 8 13.735 -3.477 5.151 1.00 11.71 C ATOM 89 C SER A 8 14.033 -3.010 6.626 1.00 13.87 C ATOM 90 O SER A 8 14.079 -3.856 7.548 1.00 13.98 O ATOM 91 CB SER A 8 15.050 -4.144 4.747 1.00 9.85 C ATOM 92 OG SER A 8 15.400 -4.506 3.461 1.00 26.22 O ATOM 93 HA SER A 8 12.823 -4.072 5.093 1.00 0.00 H ATOM 94 HB2 SER A 8 15.099 -5.064 5.330 1.00 0.00 H ATOM 95 HB3 SER A 8 15.834 -3.463 5.079 1.00 0.00 H ATOM 96 HG SER A 8 15.409 -3.702 2.884 1.00 0.00 H ATOM 97 H SER A 8 14.511 -1.833 3.890 1.00 0.00 H ATOM 98 N ASN A 9 14.210 -1.760 6.873 1.00 7.33 N ATOM 99 CA ASN A 9 14.558 -1.208 8.223 1.00 5.28 C ATOM 100 C ASN A 9 13.311 -0.978 9.096 1.00 6.95 C ATOM 101 O ASN A 9 12.369 -0.354 8.627 1.00 8.72 O ATOM 102 CB ASN A 9 15.381 0.092 8.018 1.00 7.71 C ATOM 103 CG ASN A 9 16.687 -0.218 7.343 1.00 3.57 C ATOM 104 OD1 ASN A 9 17.205 -1.393 7.344 1.00 6.42 O ATOM 105 ND2 ASN A 9 17.250 0.862 6.831 1.00 6.01 N ATOM 106 HA ASN A 9 15.159 -1.935 8.769 1.00 0.00 H ATOM 107 HB2 ASN A 9 14.811 0.785 7.398 1.00 0.00 H ATOM 108 HB3 ASN A 9 15.577 0.550 8.987 1.00 0.00 H ATOM 109 HD22 ASN A 9 16.756 1.776 6.875 1.00 0.00 H ATOM 110 HD21 ASN A 9 18.187 0.798 6.384 1.00 0.00 H ATOM 111 H ASN A 9 14.105 -1.089 6.085 1.00 0.00 H ATOM 112 N CYS A 10 13.416 -1.388 10.356 1.00 5.86 N ATOM 113 CA CYS A 10 12.263 -1.259 11.347 1.00 2.00 C ATOM 114 C CYS A 10 12.670 -0.267 12.460 1.00 3.11 C ATOM 115 O CYS A 10 13.781 -0.486 13.020 1.00 4.36 O ATOM 116 CB CYS A 10 12.317 -2.694 11.982 1.00 4.31 C ATOM 117 SG CYS A 10 10.906 -2.967 13.050 1.00 6.92 S ATOM 118 HA CYS A 10 11.314 -0.938 10.919 1.00 0.00 H ATOM 119 HB2 CYS A 10 13.232 -2.793 12.566 1.00 0.00 H ATOM 120 HB3 CYS A 10 12.313 -3.438 11.186 1.00 0.00 H ATOM 121 H CYS A 10 14.311 -1.810 10.676 1.00 0.00 H ATOM 122 N TYR A 11 11.715 0.665 12.645 1.00 2.94 N ATOM 123 CA TYR A 11 12.035 1.634 13.677 1.00 3.24 C ATOM 124 C TYR A 11 10.849 1.690 14.697 1.00 4.55 C ATOM 125 O TYR A 11 9.773 1.648 14.173 1.00 6.87 O ATOM 126 CB TYR A 11 12.180 3.103 13.141 1.00 2.00 C ATOM 127 CG TYR A 11 13.426 3.130 12.262 1.00 5.38 C ATOM 128 CD1 TYR A 11 14.740 3.054 12.662 1.00 2.00 C ATOM 129 CD2 TYR A 11 13.092 3.254 10.839 1.00 2.50 C ATOM 130 CE1 TYR A 11 15.878 3.048 11.833 1.00 4.21 C ATOM 131 CE2 TYR A 11 14.219 3.289 9.982 1.00 2.00 C ATOM 132 CZ TYR A 11 15.502 3.204 10.374 1.00 2.00 C ATOM 133 OH TYR A 11 16.717 3.221 9.711 1.00 4.10 O ATOM 134 HA TYR A 11 12.983 1.309 14.106 1.00 0.00 H ATOM 135 HB3 TYR A 11 12.293 3.797 13.974 1.00 0.00 H ATOM 136 HB2 TYR A 11 11.302 3.378 12.557 1.00 0.00 H ATOM 137 HD2 TYR A 11 12.067 3.314 10.473 1.00 0.00 H ATOM 138 HE2 TYR A 11 14.030 3.394 8.914 1.00 0.00 H ATOM 139 HE1 TYR A 11 16.901 2.944 12.195 1.00 0.00 H ATOM 140 HD1 TYR A 11 14.919 2.992 13.735 1.00 0.00 H ATOM 141 HH TYR A 11 16.752 2.467 9.070 1.00 0.00 H ATOM 142 H TYR A 11 10.830 0.688 12.099 1.00 0.00 H ATOM 143 N SER A 12 11.392 1.831 15.947 1.00 5.13 N ATOM 144 CA SER A 12 10.294 2.036 16.940 1.00 6.34 C ATOM 145 C SER A 12 10.143 3.553 17.102 1.00 4.80 C ATOM 146 O SER A 12 10.940 4.445 16.778 1.00 6.29 O ATOM 147 CB SER A 12 10.651 1.498 18.308 1.00 6.63 C ATOM 148 OG SER A 12 11.824 2.039 18.807 1.00 4.42 O ATOM 149 HA SER A 12 9.398 1.526 16.585 1.00 0.00 H ATOM 150 HB2 SER A 12 10.768 0.417 18.238 1.00 0.00 H ATOM 151 HB3 SER A 12 9.839 1.730 18.997 1.00 0.00 H ATOM 152 HG SER A 12 12.571 1.827 18.193 1.00 0.00 H ATOM 153 H SER A 12 12.407 1.800 16.170 1.00 0.00 H ATOM 154 N SER A 13 9.024 3.970 17.770 1.00 4.64 N ATOM 155 CA SER A 13 8.824 5.388 18.078 1.00 5.40 C ATOM 156 C SER A 13 9.976 5.887 18.923 1.00 4.97 C ATOM 157 O SER A 13 10.436 7.057 18.743 1.00 7.40 O ATOM 158 CB SER A 13 7.551 5.705 18.880 1.00 10.00 C ATOM 159 OG SER A 13 6.419 5.319 18.206 1.00 21.22 O ATOM 160 HA SER A 13 8.746 5.872 17.104 1.00 0.00 H ATOM 161 HB2 SER A 13 7.506 6.779 19.062 1.00 0.00 H ATOM 162 HB3 SER A 13 7.593 5.178 19.833 1.00 0.00 H ATOM 163 HG SER A 13 6.451 4.343 18.042 1.00 0.00 H ATOM 164 H SER A 13 8.309 3.274 18.062 1.00 0.00 H ATOM 165 N SER A 14 10.593 5.056 19.827 1.00 3.15 N ATOM 166 CA SER A 14 11.760 5.595 20.571 1.00 4.29 C ATOM 167 C SER A 14 12.938 5.966 19.707 1.00 4.73 C ATOM 168 O SER A 14 13.710 6.890 19.901 1.00 3.92 O ATOM 169 CB SER A 14 12.297 4.596 21.624 1.00 6.97 C ATOM 170 OG SER A 14 12.415 3.256 21.182 1.00 10.81 O ATOM 171 HA SER A 14 11.356 6.494 21.036 1.00 0.00 H ATOM 172 HB2 SER A 14 11.620 4.611 22.478 1.00 0.00 H ATOM 173 HB3 SER A 14 13.284 4.935 21.938 1.00 0.00 H ATOM 174 HG SER A 14 13.038 3.217 20.413 1.00 0.00 H ATOM 175 H SER A 14 10.255 4.085 19.984 1.00 0.00 H ATOM 176 N ASP A 15 13.170 5.082 18.688 1.00 3.35 N ATOM 177 CA ASP A 15 14.329 5.339 17.724 1.00 2.66 C ATOM 178 C ASP A 15 14.038 6.688 16.992 1.00 2.46 C ATOM 179 O ASP A 15 15.035 7.419 16.794 1.00 5.90 O ATOM 180 CB ASP A 15 14.200 4.259 16.627 1.00 2.00 C ATOM 181 CG ASP A 15 14.605 2.885 17.022 1.00 5.79 C ATOM 182 OD1 ASP A 15 15.592 2.736 17.728 1.00 6.65 O ATOM 183 OD2 ASP A 15 14.016 1.911 16.508 1.00 5.89 O ATOM 184 HA ASP A 15 15.291 5.342 18.237 1.00 0.00 H ATOM 185 HB2 ASP A 15 13.157 4.223 16.313 1.00 0.00 H ATOM 186 HB3 ASP A 15 14.821 4.562 15.784 1.00 0.00 H ATOM 187 H ASP A 15 12.565 4.245 18.571 1.00 0.00 H ATOM 188 N VAL A 16 12.829 6.972 16.668 1.00 4.77 N ATOM 189 CA VAL A 16 12.471 8.265 15.936 1.00 2.63 C ATOM 190 C VAL A 16 12.735 9.468 16.846 1.00 4.91 C ATOM 191 O VAL A 16 13.349 10.468 16.548 1.00 4.92 O ATOM 192 CB VAL A 16 11.091 8.188 15.282 1.00 4.02 C ATOM 193 CG1 VAL A 16 10.517 9.505 14.731 1.00 3.81 C ATOM 194 CG2 VAL A 16 11.157 7.072 14.195 1.00 5.96 C ATOM 195 HA VAL A 16 13.129 8.412 15.080 1.00 0.00 H ATOM 196 HB VAL A 16 10.375 7.949 16.068 1.00 0.00 H ATOM 197 HG11 VAL A 16 10.422 10.226 15.543 1.00 0.00 H ATOM 198 HG12 VAL A 16 11.187 9.901 13.968 1.00 0.00 H ATOM 199 HG13 VAL A 16 9.536 9.318 14.294 1.00 0.00 H ATOM 200 HG21 VAL A 16 11.917 7.329 13.458 1.00 0.00 H ATOM 201 HG22 VAL A 16 11.412 6.123 14.666 1.00 0.00 H ATOM 202 HG23 VAL A 16 10.187 6.987 13.704 1.00 0.00 H ATOM 203 H VAL A 16 12.071 6.303 16.911 1.00 0.00 H ATOM 204 N SER A 17 12.147 9.321 18.063 1.00 3.76 N ATOM 205 CA SER A 17 12.332 10.388 19.075 1.00 5.87 C ATOM 206 C SER A 17 13.740 10.645 19.405 1.00 3.05 C ATOM 207 O SER A 17 14.193 11.809 19.604 1.00 5.46 O ATOM 208 CB SER A 17 11.708 9.969 20.492 1.00 8.25 C ATOM 209 OG SER A 17 10.375 9.997 20.067 1.00 20.12 O ATOM 210 HA SER A 17 11.854 11.254 18.618 1.00 0.00 H ATOM 211 HB2 SER A 17 11.917 10.695 21.278 1.00 0.00 H ATOM 212 HB3 SER A 17 12.027 8.979 20.819 1.00 0.00 H ATOM 213 HG SER A 17 10.251 9.347 19.330 1.00 0.00 H ATOM 214 H SER A 17 11.579 8.477 18.279 1.00 0.00 H ATOM 215 N THR A 18 14.633 9.636 19.515 1.00 5.78 N ATOM 216 CA THR A 18 16.021 9.823 19.854 1.00 7.07 C ATOM 217 C THR A 18 16.738 10.556 18.687 1.00 9.23 C ATOM 218 O THR A 18 17.513 11.449 18.933 1.00 9.47 O ATOM 219 CB THR A 18 16.837 8.546 20.188 1.00 5.23 C ATOM 220 OG1 THR A 18 16.088 7.857 21.233 1.00 11.69 O ATOM 221 CG2 THR A 18 18.331 8.621 20.439 1.00 5.95 C ATOM 222 HA THR A 18 15.992 10.399 20.779 1.00 0.00 H ATOM 223 HB THR A 18 16.913 7.987 19.256 1.00 0.00 H ATOM 224 HG1 THR A 18 16.566 7.028 21.488 1.00 0.00 H ATOM 225 HG23 THR A 18 18.811 9.149 19.615 1.00 0.00 H ATOM 226 HG21 THR A 18 18.515 9.156 21.371 1.00 0.00 H ATOM 227 HG22 THR A 18 18.737 7.612 20.512 1.00 0.00 H ATOM 228 H THR A 18 14.298 8.666 19.345 1.00 0.00 H ATOM 229 N ALA A 19 16.489 10.104 17.464 1.00 5.42 N ATOM 230 CA ALA A 19 17.143 10.782 16.260 1.00 7.04 C ATOM 231 C ALA A 19 16.588 12.199 16.125 1.00 4.27 C ATOM 232 O ALA A 19 17.463 13.061 15.880 1.00 4.83 O ATOM 233 CB ALA A 19 16.792 9.920 15.012 1.00 4.93 C ATOM 234 HA ALA A 19 18.225 10.856 16.369 1.00 0.00 H ATOM 235 HB1 ALA A 19 17.182 8.911 15.147 1.00 0.00 H ATOM 236 HB2 ALA A 19 15.709 9.879 14.893 1.00 0.00 H ATOM 237 HB3 ALA A 19 17.240 10.368 14.125 1.00 0.00 H ATOM 238 H ALA A 19 15.853 9.293 17.326 1.00 0.00 H ATOM 239 N GLN A 20 15.347 12.437 16.323 1.00 5.24 N ATOM 240 CA GLN A 20 14.823 13.801 16.207 1.00 6.34 C ATOM 241 C GLN A 20 15.470 14.738 17.245 1.00 8.46 C ATOM 242 O GLN A 20 15.847 15.887 16.905 1.00 5.93 O ATOM 243 CB GLN A 20 13.338 13.866 16.399 1.00 3.51 C ATOM 244 CG GLN A 20 12.647 15.203 16.256 1.00 4.59 C ATOM 245 CD GLN A 20 11.211 15.173 16.457 1.00 10.16 C ATOM 246 OE1 GLN A 20 10.587 14.129 16.384 1.00 12.07 O ATOM 247 NE2 GLN A 20 10.611 16.305 16.757 1.00 9.21 N ATOM 248 HA GLN A 20 15.068 14.122 15.195 1.00 0.00 H ATOM 249 HB2 GLN A 20 12.890 13.193 15.668 1.00 0.00 H ATOM 250 HB3 GLN A 20 13.128 13.501 17.404 1.00 0.00 H ATOM 251 HG2 GLN A 20 13.077 15.887 16.988 1.00 0.00 H ATOM 252 HG3 GLN A 20 12.841 15.579 15.251 1.00 0.00 H ATOM 253 HE22 GLN A 20 11.161 17.186 16.814 1.00 0.00 H ATOM 254 HE21 GLN A 20 9.587 16.319 16.937 1.00 0.00 H ATOM 255 H GLN A 20 14.705 11.657 16.568 1.00 0.00 H ATOM 256 N ALA A 21 15.559 14.182 18.466 1.00 5.26 N ATOM 257 CA ALA A 21 16.163 15.043 19.511 1.00 4.53 C ATOM 258 C ALA A 21 17.555 15.518 19.157 1.00 4.24 C ATOM 259 O ALA A 21 17.970 16.678 19.333 1.00 6.99 O ATOM 260 CB ALA A 21 16.110 14.169 20.776 1.00 7.58 C ATOM 261 HA ALA A 21 15.625 15.982 19.642 1.00 0.00 H ATOM 262 HB1 ALA A 21 15.073 13.914 20.997 1.00 0.00 H ATOM 263 HB2 ALA A 21 16.682 13.256 20.610 1.00 0.00 H ATOM 264 HB3 ALA A 21 16.537 14.719 21.614 1.00 0.00 H ATOM 265 H ALA A 21 15.228 13.216 18.663 1.00 0.00 H ATOM 266 N ALA A 22 18.408 14.650 18.648 1.00 3.02 N ATOM 267 CA ALA A 22 19.786 14.908 18.282 1.00 2.87 C ATOM 268 C ALA A 22 19.864 15.900 17.142 1.00 5.12 C ATOM 269 O ALA A 22 20.715 16.791 17.220 1.00 6.12 O ATOM 270 CB ALA A 22 20.491 13.608 17.982 1.00 4.72 C ATOM 271 HA ALA A 22 20.305 15.369 19.122 1.00 0.00 H ATOM 272 HB1 ALA A 22 20.467 12.971 18.866 1.00 0.00 H ATOM 273 HB2 ALA A 22 19.988 13.105 17.156 1.00 0.00 H ATOM 274 HB3 ALA A 22 21.526 13.812 17.708 1.00 0.00 H ATOM 275 H ALA A 22 18.056 13.684 18.494 1.00 0.00 H ATOM 276 N GLY A 23 19.014 15.589 16.122 1.00 4.18 N ATOM 277 CA GLY A 23 19.065 16.511 14.987 1.00 4.81 C ATOM 278 C GLY A 23 18.587 17.892 15.365 1.00 2.12 C ATOM 279 O GLY A 23 19.102 18.947 14.927 1.00 4.43 O ATOM 280 HA3 GLY A 23 18.431 16.124 14.189 1.00 0.00 H ATOM 281 HA2 GLY A 23 20.094 16.578 14.632 1.00 0.00 H ATOM 282 H GLY A 23 18.381 14.764 16.149 1.00 0.00 H ATOM 283 N TYR A 24 17.538 18.051 16.134 1.00 2.00 N ATOM 284 CA TYR A 24 17.003 19.385 16.549 1.00 2.00 C ATOM 285 C TYR A 24 18.078 20.139 17.371 1.00 3.18 C ATOM 286 O TYR A 24 18.136 21.351 17.151 1.00 4.85 O ATOM 287 CB TYR A 24 15.617 19.245 17.291 1.00 3.26 C ATOM 288 CG TYR A 24 15.036 20.636 17.188 1.00 5.17 C ATOM 289 CD1 TYR A 24 14.324 21.112 16.097 1.00 2.00 C ATOM 290 CD2 TYR A 24 15.243 21.500 18.344 1.00 8.17 C ATOM 291 CE1 TYR A 24 13.809 22.410 16.044 1.00 4.34 C ATOM 292 CE2 TYR A 24 14.702 22.810 18.239 1.00 8.39 C ATOM 293 CZ TYR A 24 13.985 23.248 17.115 1.00 5.89 C ATOM 294 OH TYR A 24 13.542 24.523 17.126 1.00 8.10 O ATOM 295 HA TYR A 24 16.791 19.988 15.666 1.00 0.00 H ATOM 296 HB3 TYR A 24 15.757 18.954 18.332 1.00 0.00 H ATOM 297 HB2 TYR A 24 14.978 18.515 16.794 1.00 0.00 H ATOM 298 HD2 TYR A 24 15.778 21.163 19.232 1.00 0.00 H ATOM 299 HE2 TYR A 24 14.850 23.504 19.066 1.00 0.00 H ATOM 300 HE1 TYR A 24 13.272 22.753 15.159 1.00 0.00 H ATOM 301 HD1 TYR A 24 14.160 20.448 15.248 1.00 0.00 H ATOM 302 HH TYR A 24 13.055 24.709 16.284 1.00 0.00 H ATOM 303 H TYR A 24 17.048 17.200 16.476 1.00 0.00 H ATOM 304 N LYS A 25 18.799 19.402 18.165 1.00 2.00 N ATOM 305 CA LYS A 25 19.809 20.104 18.961 1.00 2.00 C ATOM 306 C LYS A 25 20.893 20.723 18.071 1.00 2.00 C ATOM 307 O LYS A 25 21.323 21.852 18.269 1.00 2.00 O ATOM 308 CB LYS A 25 20.425 19.045 19.950 1.00 5.58 C ATOM 309 CG LYS A 25 21.563 19.593 20.854 1.00 13.16 C ATOM 310 CD LYS A 25 21.262 20.966 21.478 1.00 18.35 C ATOM 311 CE LYS A 25 22.327 21.436 22.464 1.00 37.49 C ATOM 312 NZ LYS A 25 23.725 20.997 22.231 1.00 42.64 N ATOM 313 HA LYS A 25 19.357 20.931 19.509 1.00 0.00 H ATOM 314 HB2 LYS A 25 19.627 18.675 20.594 1.00 0.00 H ATOM 315 HB3 LYS A 25 20.826 18.221 19.360 1.00 0.00 H ATOM 316 HG2 LYS A 25 21.734 18.880 21.661 1.00 0.00 H ATOM 317 HG3 LYS A 25 22.467 19.681 20.251 1.00 0.00 H ATOM 318 HD2 LYS A 25 21.187 21.700 20.676 1.00 0.00 H ATOM 319 HD3 LYS A 25 20.309 20.905 22.003 1.00 0.00 H ATOM 320 HE2 LYS A 25 22.035 21.082 23.453 1.00 0.00 H ATOM 321 HE3 LYS A 25 22.322 22.526 22.454 1.00 0.00 H ATOM 322 HZ1 LYS A 25 23.769 19.958 22.255 1.00 0.00 H ATOM 323 HZ2 LYS A 25 24.044 21.337 21.301 1.00 0.00 H ATOM 324 HZ3 LYS A 25 24.338 21.389 22.974 1.00 0.00 H ATOM 325 H LYS A 25 18.666 18.373 18.231 1.00 0.00 H ATOM 326 N LEU A 26 21.326 19.947 17.055 1.00 4.08 N ATOM 327 CA LEU A 26 22.357 20.549 16.133 1.00 2.99 C ATOM 328 C LEU A 26 21.719 21.742 15.447 1.00 2.00 C ATOM 329 O LEU A 26 22.460 22.678 15.290 1.00 3.38 O ATOM 330 CB LEU A 26 22.798 19.482 15.105 1.00 3.81 C ATOM 331 CG LEU A 26 23.711 18.370 15.654 1.00 7.73 C ATOM 332 CD1 LEU A 26 24.231 17.618 14.365 1.00 6.72 C ATOM 333 CD2 LEU A 26 25.021 18.952 16.074 1.00 11.66 C ATOM 334 HA LEU A 26 23.241 20.876 16.680 1.00 0.00 H ATOM 335 HB2 LEU A 26 21.901 19.012 14.702 1.00 0.00 H ATOM 336 HB3 LEU A 26 23.332 19.990 14.302 1.00 0.00 H ATOM 337 HG LEU A 26 23.178 17.818 16.428 1.00 0.00 H ATOM 338 HD21 LEU A 26 25.501 19.422 15.215 1.00 0.00 H ATOM 339 HD22 LEU A 26 24.853 19.698 16.851 1.00 0.00 H ATOM 340 HD23 LEU A 26 25.662 18.160 16.461 1.00 0.00 H ATOM 341 HD11 LEU A 26 23.382 17.214 13.814 1.00 0.00 H ATOM 342 HD12 LEU A 26 24.776 18.319 13.732 1.00 0.00 H ATOM 343 HD13 LEU A 26 24.893 16.805 14.663 1.00 0.00 H ATOM 344 H LEU A 26 20.966 18.981 16.915 1.00 0.00 H ATOM 345 N HIS A 27 20.493 21.731 15.026 1.00 4.08 N ATOM 346 CA HIS A 27 19.787 22.857 14.342 1.00 5.47 C ATOM 347 C HIS A 27 19.860 24.095 15.264 1.00 5.00 C ATOM 348 O HIS A 27 20.140 25.227 14.812 1.00 4.05 O ATOM 349 CB HIS A 27 18.389 22.344 13.936 1.00 3.11 C ATOM 350 CG HIS A 27 17.506 23.503 13.452 1.00 2.79 C ATOM 351 ND1 HIS A 27 17.880 24.107 12.259 1.00 10.94 N ATOM 352 CD2 HIS A 27 16.446 24.189 13.861 1.00 7.61 C ATOM 353 CE1 HIS A 27 17.069 25.133 11.985 1.00 7.39 C ATOM 354 NE2 HIS A 27 16.204 25.178 12.938 1.00 8.52 N ATOM 355 HA HIS A 27 20.242 23.192 13.410 1.00 0.00 H ATOM 356 HB2 HIS A 27 18.494 21.614 13.133 1.00 0.00 H ATOM 357 HB3 HIS A 27 17.918 21.870 14.797 1.00 0.00 H ATOM 358 HD2 HIS A 27 15.870 24.001 14.767 1.00 0.00 H ATOM 359 HE1 HIS A 27 17.128 25.800 11.125 1.00 0.00 H ATOM 360 H HIS A 27 19.950 20.857 15.178 1.00 0.00 H ATOM 361 N GLU A 28 19.509 23.847 16.524 1.00 4.68 N ATOM 362 CA GLU A 28 19.568 25.020 17.480 1.00 5.32 C ATOM 363 C GLU A 28 20.944 25.617 17.645 1.00 3.98 C ATOM 364 O GLU A 28 21.220 26.838 17.772 1.00 6.03 O ATOM 365 CB GLU A 28 19.101 24.567 18.848 1.00 5.35 C ATOM 366 CG GLU A 28 17.643 24.359 19.093 1.00 9.82 C ATOM 367 CD GLU A 28 17.255 23.794 20.467 1.00 18.96 C ATOM 368 OE1 GLU A 28 18.040 22.966 20.985 1.00 16.32 O ATOM 369 OE2 GLU A 28 16.228 24.108 21.067 1.00 17.51 O ATOM 370 HA GLU A 28 18.928 25.789 17.048 1.00 0.00 H ATOM 371 HB2 GLU A 28 19.597 23.618 19.055 1.00 0.00 H ATOM 372 HB3 GLU A 28 19.440 25.316 19.564 1.00 0.00 H ATOM 373 HG2 GLU A 28 17.146 25.323 18.978 1.00 0.00 H ATOM 374 HG3 GLU A 28 17.274 23.669 18.334 1.00 0.00 H ATOM 375 H GLU A 28 19.211 22.900 16.835 1.00 0.00 H ATOM 376 N ASP A 29 21.996 24.791 17.617 1.00 3.85 N ATOM 377 CA ASP A 29 23.443 25.121 17.732 1.00 2.00 C ATOM 378 C ASP A 29 24.039 25.685 16.422 1.00 4.43 C ATOM 379 O ASP A 29 25.178 26.098 16.606 1.00 8.77 O ATOM 380 CB ASP A 29 24.146 23.896 18.209 1.00 3.53 C ATOM 381 CG ASP A 29 23.830 23.470 19.656 1.00 17.85 C ATOM 382 OD1 ASP A 29 23.084 24.158 20.361 1.00 17.23 O ATOM 383 OD2 ASP A 29 24.368 22.391 19.920 1.00 16.46 O ATOM 384 HA ASP A 29 23.580 25.928 18.452 1.00 0.00 H ATOM 385 HB2 ASP A 29 23.872 23.073 17.549 1.00 0.00 H ATOM 386 HB3 ASP A 29 25.219 24.075 18.138 1.00 0.00 H ATOM 387 H ASP A 29 21.773 23.782 17.499 1.00 0.00 H ATOM 388 N GLY A 30 23.263 25.555 15.326 1.00 4.20 N ATOM 389 CA GLY A 30 23.809 26.094 14.043 1.00 4.30 C ATOM 390 C GLY A 30 24.946 25.158 13.645 1.00 4.82 C ATOM 391 O GLY A 30 25.913 25.689 13.059 1.00 6.45 O ATOM 392 HA3 GLY A 30 24.184 27.107 14.187 1.00 0.00 H ATOM 393 HA2 GLY A 30 23.036 26.100 13.275 1.00 0.00 H ATOM 394 H GLY A 30 22.328 25.101 15.372 1.00 0.00 H ATOM 395 N GLU A 31 24.813 23.894 13.920 1.00 2.00 N ATOM 396 CA GLU A 31 25.901 22.992 13.567 1.00 3.93 C ATOM 397 C GLU A 31 25.390 21.775 12.688 1.00 2.67 C ATOM 398 O GLU A 31 24.252 21.533 12.699 1.00 4.69 O ATOM 399 CB GLU A 31 26.265 22.317 14.872 1.00 7.21 C ATOM 400 CG GLU A 31 27.448 21.426 15.055 1.00 10.32 C ATOM 401 CD GLU A 31 28.807 22.015 14.660 1.00 20.34 C ATOM 402 OE1 GLU A 31 29.006 23.193 14.792 1.00 24.06 O ATOM 403 OE2 GLU A 31 29.562 21.099 14.208 1.00 19.93 O ATOM 404 HA GLU A 31 26.681 23.551 13.049 1.00 0.00 H ATOM 405 HB2 GLU A 31 26.388 23.123 15.596 1.00 0.00 H ATOM 406 HB3 GLU A 31 25.398 21.715 15.144 1.00 0.00 H ATOM 407 HG2 GLU A 31 27.498 21.151 16.109 1.00 0.00 H ATOM 408 HG3 GLU A 31 27.286 20.531 14.455 1.00 0.00 H ATOM 409 H GLU A 31 23.952 23.536 14.380 1.00 0.00 H ATOM 410 N THR A 32 26.398 21.211 12.067 1.00 2.96 N ATOM 411 CA THR A 32 26.101 20.036 11.189 1.00 5.67 C ATOM 412 C THR A 32 27.226 19.060 11.304 1.00 6.73 C ATOM 413 O THR A 32 28.327 19.363 11.742 1.00 9.14 O ATOM 414 CB THR A 32 26.025 20.900 9.866 1.00 12.02 C ATOM 415 OG1 THR A 32 24.757 21.289 9.386 1.00 11.35 O ATOM 416 CG2 THR A 32 27.197 21.061 9.046 1.00 2.48 C ATOM 417 HA THR A 32 25.239 19.389 11.354 1.00 0.00 H ATOM 418 HB THR A 32 26.249 21.867 10.316 1.00 0.00 H ATOM 419 HG1 THR A 32 24.868 21.820 8.558 1.00 0.00 H ATOM 420 HG23 THR A 32 28.072 20.705 9.590 1.00 0.00 H ATOM 421 HG21 THR A 32 27.079 20.484 8.129 1.00 0.00 H ATOM 422 HG22 THR A 32 27.325 22.115 8.800 1.00 0.00 H ATOM 423 H THR A 32 27.368 21.567 12.181 1.00 0.00 H ATOM 424 N VAL A 33 26.882 17.879 10.801 1.00 2.97 N ATOM 425 CA VAL A 33 27.848 16.765 10.828 1.00 5.38 C ATOM 426 C VAL A 33 27.818 15.918 9.507 1.00 3.85 C ATOM 427 O VAL A 33 26.727 15.871 9.014 1.00 4.83 O ATOM 428 CB VAL A 33 27.772 15.800 12.027 1.00 7.33 C ATOM 429 CG1 VAL A 33 27.994 16.573 13.377 1.00 20.42 C ATOM 430 CG2 VAL A 33 26.536 15.015 12.162 1.00 3.71 C ATOM 431 HA VAL A 33 28.791 17.300 10.935 1.00 0.00 H ATOM 432 HB VAL A 33 28.567 15.085 11.816 1.00 0.00 H ATOM 433 HG11 VAL A 33 28.976 17.046 13.366 1.00 0.00 H ATOM 434 HG12 VAL A 33 27.223 17.336 13.488 1.00 0.00 H ATOM 435 HG13 VAL A 33 27.936 15.872 14.209 1.00 0.00 H ATOM 436 HG21 VAL A 33 25.688 15.691 12.269 1.00 0.00 H ATOM 437 HG22 VAL A 33 26.400 14.398 11.274 1.00 0.00 H ATOM 438 HG23 VAL A 33 26.607 14.376 13.042 1.00 0.00 H ATOM 439 H VAL A 33 25.936 17.741 10.390 1.00 0.00 H ATOM 440 N GLY A 34 28.973 15.385 9.193 1.00 7.46 N ATOM 441 CA GLY A 34 28.844 14.559 7.931 1.00 8.05 C ATOM 442 C GLY A 34 29.261 15.368 6.691 1.00 8.59 C ATOM 443 O GLY A 34 29.185 16.608 6.550 1.00 6.54 O ATOM 444 HA3 GLY A 34 27.807 14.243 7.817 1.00 0.00 H ATOM 445 HA2 GLY A 34 29.484 13.680 8.014 1.00 0.00 H ATOM 446 H GLY A 34 29.853 15.511 9.733 1.00 0.00 H ATOM 447 N SER A 35 29.706 14.548 5.710 1.00 10.66 N ATOM 448 CA SER A 35 30.168 15.199 4.415 1.00 10.46 C ATOM 449 C SER A 35 29.038 15.974 3.801 1.00 10.07 C ATOM 450 O SER A 35 29.331 16.994 3.152 1.00 14.88 O ATOM 451 CB SER A 35 30.687 14.125 3.435 1.00 13.16 C ATOM 452 OG SER A 35 29.479 13.488 2.897 1.00 10.98 O ATOM 453 HA SER A 35 30.984 15.888 4.633 1.00 0.00 H ATOM 454 HB2 SER A 35 31.305 13.395 3.958 1.00 0.00 H ATOM 455 HB3 SER A 35 31.267 14.584 2.635 1.00 0.00 H ATOM 456 HG SER A 35 28.960 13.087 3.639 1.00 0.00 H ATOM 457 H SER A 35 29.731 13.516 5.836 1.00 0.00 H ATOM 458 N ASN A 36 27.772 15.531 3.962 1.00 10.72 N ATOM 459 CA ASN A 36 26.559 16.119 3.448 1.00 7.80 C ATOM 460 C ASN A 36 25.814 17.157 4.343 1.00 5.69 C ATOM 461 O ASN A 36 24.702 17.630 4.071 1.00 11.12 O ATOM 462 CB ASN A 36 25.501 15.173 2.846 1.00 19.48 C ATOM 463 CG ASN A 36 25.951 14.147 1.818 1.00 29.61 C ATOM 464 OD1 ASN A 36 25.114 13.188 1.683 1.00 33.70 O ATOM 465 ND2 ASN A 36 27.126 14.342 1.207 1.00 28.04 N ATOM 466 HA ASN A 36 27.046 16.656 2.634 1.00 0.00 H ATOM 467 HB2 ASN A 36 25.050 14.625 3.673 1.00 0.00 H ATOM 468 HB3 ASN A 36 24.744 15.796 2.370 1.00 0.00 H ATOM 469 HD22 ASN A 36 27.695 15.183 1.430 1.00 0.00 H ATOM 470 HD21 ASN A 36 27.470 13.652 0.509 1.00 0.00 H ATOM 471 H ASN A 36 27.658 14.663 4.523 1.00 0.00 H ATOM 472 N SER A 37 26.486 17.517 5.402 1.00 7.07 N ATOM 473 CA SER A 37 26.015 18.539 6.330 1.00 5.81 C ATOM 474 C SER A 37 24.623 18.416 6.813 1.00 6.98 C ATOM 475 O SER A 37 23.680 19.166 6.517 1.00 9.29 O ATOM 476 CB SER A 37 26.210 19.992 5.722 1.00 4.22 C ATOM 477 OG SER A 37 27.669 19.852 5.517 1.00 10.66 O ATOM 478 HA SER A 37 26.642 18.373 7.206 1.00 0.00 H ATOM 479 HB2 SER A 37 25.953 20.785 6.424 1.00 0.00 H ATOM 480 HB3 SER A 37 25.662 20.141 4.792 1.00 0.00 H ATOM 481 HG SER A 37 28.027 20.687 5.124 1.00 0.00 H ATOM 482 H SER A 37 27.398 17.055 5.593 1.00 0.00 H ATOM 483 N TYR A 38 24.410 17.392 7.704 1.00 5.13 N ATOM 484 CA TYR A 38 23.111 17.172 8.344 1.00 3.39 C ATOM 485 C TYR A 38 23.103 17.797 9.789 1.00 3.74 C ATOM 486 O TYR A 38 24.116 17.809 10.492 1.00 4.75 O ATOM 487 CB TYR A 38 22.912 15.650 8.611 1.00 2.00 C ATOM 488 CG TYR A 38 22.709 14.914 7.268 1.00 3.95 C ATOM 489 CD1 TYR A 38 21.534 15.083 6.547 1.00 9.93 C ATOM 490 CD2 TYR A 38 23.811 14.175 6.758 1.00 8.98 C ATOM 491 CE1 TYR A 38 21.406 14.425 5.274 1.00 7.38 C ATOM 492 CE2 TYR A 38 23.637 13.536 5.530 1.00 8.55 C ATOM 493 CZ TYR A 38 22.453 13.667 4.820 1.00 6.31 C ATOM 494 OH TYR A 38 22.411 13.017 3.553 1.00 8.92 O ATOM 495 HA TYR A 38 22.354 17.603 7.689 1.00 0.00 H ATOM 496 HB3 TYR A 38 22.036 15.503 9.242 1.00 0.00 H ATOM 497 HB2 TYR A 38 23.792 15.251 9.115 1.00 0.00 H ATOM 498 HD2 TYR A 38 24.752 14.110 7.303 1.00 0.00 H ATOM 499 HE2 TYR A 38 24.443 12.925 5.123 1.00 0.00 H ATOM 500 HE1 TYR A 38 20.496 14.527 4.683 1.00 0.00 H ATOM 501 HD1 TYR A 38 20.726 15.701 6.937 1.00 0.00 H ATOM 502 HH TYR A 38 21.528 13.172 3.133 1.00 0.00 H ATOM 503 H TYR A 38 25.197 16.752 7.932 1.00 0.00 H ATOM 504 N PRO A 39 21.962 18.308 10.185 1.00 4.55 N ATOM 505 CA PRO A 39 20.671 18.413 9.495 1.00 3.39 C ATOM 506 C PRO A 39 20.682 19.496 8.405 1.00 6.72 C ATOM 507 O PRO A 39 21.458 20.453 8.524 1.00 6.93 O ATOM 508 CB PRO A 39 19.609 18.754 10.636 1.00 4.57 C ATOM 509 CG PRO A 39 20.522 19.504 11.667 1.00 2.99 C ATOM 510 CD PRO A 39 21.900 18.920 11.579 1.00 3.94 C ATOM 511 HA PRO A 39 20.429 17.486 8.974 1.00 0.00 H ATOM 512 HD3 PRO A 39 22.657 19.696 11.694 1.00 0.00 H ATOM 513 HD2 PRO A 39 22.045 18.156 12.343 1.00 0.00 H ATOM 514 HG3 PRO A 39 20.128 19.372 12.675 1.00 0.00 H ATOM 515 HG2 PRO A 39 20.555 20.567 11.427 1.00 0.00 H ATOM 516 HB2 PRO A 39 18.811 19.396 10.264 1.00 0.00 H ATOM 517 HB3 PRO A 39 19.176 17.851 11.065 1.00 0.00 H ATOM 518 N HIS A 40 19.831 19.327 7.338 1.00 3.00 N ATOM 519 CA HIS A 40 19.800 20.386 6.303 1.00 3.39 C ATOM 520 C HIS A 40 18.327 20.519 5.976 1.00 3.39 C ATOM 521 O HIS A 40 17.481 19.653 6.244 1.00 5.24 O ATOM 522 CB HIS A 40 20.911 20.051 5.210 1.00 2.00 C ATOM 523 CG HIS A 40 20.463 18.894 4.332 1.00 3.23 C ATOM 524 ND1 HIS A 40 19.368 18.688 3.579 1.00 4.88 N ATOM 525 CD2 HIS A 40 21.306 17.808 4.155 1.00 12.06 C ATOM 526 CE1 HIS A 40 19.462 17.488 2.938 1.00 11.84 C ATOM 527 NE2 HIS A 40 20.571 17.108 3.310 1.00 4.26 N ATOM 528 HA HIS A 40 20.109 21.402 6.549 1.00 0.00 H ATOM 529 HB2 HIS A 40 21.079 20.930 4.588 1.00 0.00 H ATOM 530 HB3 HIS A 40 21.840 19.781 5.713 1.00 0.00 H ATOM 531 HD2 HIS A 40 22.285 17.595 4.585 1.00 0.00 H ATOM 532 HE1 HIS A 40 18.748 16.998 2.276 1.00 0.00 H ATOM 533 H HIS A 40 19.229 18.483 7.260 1.00 0.00 H ATOM 534 N LYS A 41 17.957 21.599 5.308 1.00 5.12 N ATOM 535 CA LYS A 41 16.540 21.838 4.939 1.00 3.96 C ATOM 536 C LYS A 41 15.914 20.750 4.058 1.00 3.96 C ATOM 537 O LYS A 41 16.718 20.164 3.284 1.00 7.21 O ATOM 538 CB LYS A 41 16.679 23.180 4.113 1.00 12.89 C ATOM 539 CG LYS A 41 16.110 24.316 4.957 1.00 26.85 C ATOM 540 CD LYS A 41 14.600 24.481 4.868 1.00 31.16 C ATOM 541 CE LYS A 41 14.226 25.576 3.868 1.00 38.97 C ATOM 542 NZ LYS A 41 13.900 25.036 2.505 1.00 39.42 N ATOM 543 HA LYS A 41 15.887 21.861 5.811 1.00 0.00 H ATOM 544 HB2 LYS A 41 17.729 23.372 3.894 1.00 0.00 H ATOM 545 HB3 LYS A 41 16.123 23.099 3.179 1.00 0.00 H ATOM 546 HG2 LYS A 41 16.370 24.128 5.999 1.00 0.00 H ATOM 547 HG3 LYS A 41 16.573 25.247 4.630 1.00 0.00 H ATOM 548 HD2 LYS A 41 14.156 23.538 4.547 1.00 0.00 H ATOM 549 HD3 LYS A 41 14.212 24.748 5.851 1.00 0.00 H ATOM 550 HE2 LYS A 41 15.065 26.266 3.778 1.00 0.00 H ATOM 551 HE3 LYS A 41 13.356 26.112 4.248 1.00 0.00 H ATOM 552 HZ1 LYS A 41 14.726 24.530 2.127 1.00 0.00 H ATOM 553 HZ2 LYS A 41 13.094 24.382 2.576 1.00 0.00 H ATOM 554 HZ3 LYS A 41 13.655 25.823 1.871 1.00 0.00 H ATOM 555 H LYS A 41 18.677 22.298 5.035 1.00 0.00 H ATOM 556 N TYR A 42 14.648 20.499 4.173 1.00 3.78 N ATOM 557 CA TYR A 42 14.038 19.474 3.325 1.00 6.27 C ATOM 558 C TYR A 42 12.940 20.259 2.556 1.00 8.37 C ATOM 559 O TYR A 42 12.161 20.917 3.273 1.00 8.74 O ATOM 560 CB TYR A 42 13.511 18.284 4.129 1.00 4.10 C ATOM 561 CG TYR A 42 12.427 17.471 3.375 1.00 2.17 C ATOM 562 CD1 TYR A 42 12.971 16.450 2.551 1.00 7.05 C ATOM 563 CD2 TYR A 42 11.102 17.765 3.613 1.00 9.17 C ATOM 564 CE1 TYR A 42 11.938 15.736 1.857 1.00 7.51 C ATOM 565 CE2 TYR A 42 10.181 17.042 2.893 1.00 13.79 C ATOM 566 CZ TYR A 42 10.658 16.054 2.043 1.00 8.11 C ATOM 567 OH TYR A 42 9.603 15.386 1.415 1.00 15.81 O ATOM 568 HA TYR A 42 14.745 18.997 2.646 1.00 0.00 H ATOM 569 HB3 TYR A 42 13.081 18.657 5.059 1.00 0.00 H ATOM 570 HB2 TYR A 42 14.346 17.622 4.356 1.00 0.00 H ATOM 571 HD2 TYR A 42 10.801 18.528 4.331 1.00 0.00 H ATOM 572 HE2 TYR A 42 9.113 17.238 2.986 1.00 0.00 H ATOM 573 HE1 TYR A 42 12.202 14.929 1.174 1.00 0.00 H ATOM 574 HD1 TYR A 42 14.036 16.236 2.458 1.00 0.00 H ATOM 575 HH TYR A 42 9.072 16.033 0.886 1.00 0.00 H ATOM 576 H TYR A 42 14.070 21.022 4.862 1.00 0.00 H ATOM 577 N ASN A 43 12.896 20.039 1.223 1.00 9.60 N ATOM 578 CA ASN A 43 11.808 20.718 0.433 1.00 5.81 C ATOM 579 C ASN A 43 10.843 19.638 0.048 1.00 4.58 C ATOM 580 O ASN A 43 11.299 18.574 -0.506 1.00 5.38 O ATOM 581 CB ASN A 43 12.554 21.446 -0.659 1.00 11.53 C ATOM 582 CG ASN A 43 13.378 22.579 -0.119 1.00 4.69 C ATOM 583 OD1 ASN A 43 12.827 23.558 0.424 1.00 15.02 O ATOM 584 ND2 ASN A 43 14.649 22.437 -0.324 1.00 12.34 N ATOM 585 HA ASN A 43 11.187 21.465 0.927 1.00 0.00 H ATOM 586 HB2 ASN A 43 13.213 20.741 -1.165 1.00 0.00 H ATOM 587 HB3 ASN A 43 11.833 21.844 -1.373 1.00 0.00 H ATOM 588 HD22 ASN A 43 15.008 21.578 -0.787 1.00 0.00 H ATOM 589 HD21 ASN A 43 15.310 23.182 -0.025 1.00 0.00 H ATOM 590 H ASN A 43 13.591 19.421 0.758 1.00 0.00 H ATOM 591 N ASN A 44 9.574 19.844 0.305 1.00 3.53 N ATOM 592 CA ASN A 44 8.643 18.737 0.047 1.00 9.15 C ATOM 593 C ASN A 44 8.055 18.737 -1.373 1.00 7.32 C ATOM 594 O ASN A 44 6.831 18.836 -1.547 1.00 7.67 O ATOM 595 CB ASN A 44 7.621 18.906 1.195 1.00 7.63 C ATOM 596 CG ASN A 44 6.588 17.809 1.294 1.00 8.96 C ATOM 597 OD1 ASN A 44 6.919 16.644 0.999 1.00 7.58 O ATOM 598 ND2 ASN A 44 5.368 18.094 1.644 1.00 5.69 N ATOM 599 HA ASN A 44 9.111 17.752 0.054 1.00 0.00 H ATOM 600 HB2 ASN A 44 8.171 18.940 2.136 1.00 0.00 H ATOM 601 HB3 ASN A 44 7.098 19.851 1.047 1.00 0.00 H ATOM 602 HD22 ASN A 44 5.112 19.072 1.886 1.00 0.00 H ATOM 603 HD21 ASN A 44 4.649 17.344 1.681 1.00 0.00 H ATOM 604 H ASN A 44 9.239 20.756 0.677 1.00 0.00 H ATOM 605 N TYR A 45 8.977 18.635 -2.295 1.00 9.97 N ATOM 606 CA TYR A 45 8.475 18.653 -3.734 1.00 7.78 C ATOM 607 C TYR A 45 7.692 17.415 -4.042 1.00 11.94 C ATOM 608 O TYR A 45 6.918 17.430 -5.013 1.00 9.65 O ATOM 609 CB TYR A 45 9.649 19.031 -4.694 1.00 4.82 C ATOM 610 CG TYR A 45 10.712 17.973 -4.651 1.00 9.46 C ATOM 611 CD1 TYR A 45 10.627 16.771 -5.379 1.00 14.89 C ATOM 612 CD2 TYR A 45 11.853 18.280 -3.924 1.00 15.74 C ATOM 613 CE1 TYR A 45 11.664 15.820 -5.307 1.00 17.17 C ATOM 614 CE2 TYR A 45 12.887 17.338 -3.841 1.00 25.21 C ATOM 615 CZ TYR A 45 12.788 16.136 -4.534 1.00 21.61 C ATOM 616 OH TYR A 45 13.809 15.232 -4.454 1.00 32.69 O ATOM 617 HA TYR A 45 7.740 19.441 -3.898 1.00 0.00 H ATOM 618 HB3 TYR A 45 10.076 19.984 -4.383 1.00 0.00 H ATOM 619 HB2 TYR A 45 9.269 19.119 -5.712 1.00 0.00 H ATOM 620 HD2 TYR A 45 11.944 19.244 -3.423 1.00 0.00 H ATOM 621 HE2 TYR A 45 13.768 17.547 -3.234 1.00 0.00 H ATOM 622 HE1 TYR A 45 11.594 14.869 -5.836 1.00 0.00 H ATOM 623 HD1 TYR A 45 9.754 16.575 -6.002 1.00 0.00 H ATOM 624 HH TYR A 45 13.587 14.436 -4.999 1.00 0.00 H ATOM 625 H TYR A 45 9.987 18.547 -2.062 1.00 0.00 H ATOM 626 N GLU A 46 7.860 16.346 -3.246 1.00 7.11 N ATOM 627 CA GLU A 46 6.982 15.170 -3.570 1.00 8.65 C ATOM 628 C GLU A 46 5.587 15.264 -3.048 1.00 5.82 C ATOM 629 O GLU A 46 4.644 14.483 -3.282 1.00 8.96 O ATOM 630 CB GLU A 46 7.431 13.950 -2.749 1.00 11.31 C ATOM 631 CG GLU A 46 8.813 13.594 -3.072 1.00 10.69 C ATOM 632 CD GLU A 46 9.249 12.881 -4.301 1.00 28.35 C ATOM 633 OE1 GLU A 46 8.446 13.007 -5.251 1.00 34.62 O ATOM 634 OE2 GLU A 46 10.316 12.337 -4.118 1.00 28.80 O ATOM 635 HA GLU A 46 7.040 15.119 -4.657 1.00 0.00 H ATOM 636 HB2 GLU A 46 7.360 14.186 -1.687 1.00 0.00 H ATOM 637 HB3 GLU A 46 6.780 13.105 -2.976 1.00 0.00 H ATOM 638 HG2 GLU A 46 9.362 14.535 -3.073 1.00 0.00 H ATOM 639 HG3 GLU A 46 9.155 12.976 -2.242 1.00 0.00 H ATOM 640 H GLU A 46 8.546 16.333 -2.464 1.00 0.00 H ATOM 641 N GLY A 47 5.302 16.335 -2.286 1.00 5.11 N ATOM 642 CA GLY A 47 3.954 16.585 -1.771 1.00 5.12 C ATOM 643 C GLY A 47 3.440 15.646 -0.684 1.00 7.63 C ATOM 644 O GLY A 47 2.242 15.438 -0.673 1.00 6.75 O ATOM 645 HA3 GLY A 47 3.264 16.523 -2.612 1.00 0.00 H ATOM 646 HA2 GLY A 47 3.940 17.597 -1.365 1.00 0.00 H ATOM 647 H GLY A 47 6.062 17.006 -2.055 1.00 0.00 H ATOM 648 N PHE A 48 4.358 15.160 0.182 1.00 4.87 N ATOM 649 CA PHE A 48 3.841 14.266 1.288 1.00 5.39 C ATOM 650 C PHE A 48 2.881 15.042 2.152 1.00 8.38 C ATOM 651 O PHE A 48 3.125 16.224 2.283 1.00 9.90 O ATOM 652 CB PHE A 48 5.036 13.758 2.041 1.00 4.01 C ATOM 653 CG PHE A 48 6.044 12.934 1.302 1.00 8.01 C ATOM 654 CD1 PHE A 48 5.716 11.904 0.379 1.00 11.52 C ATOM 655 CD2 PHE A 48 7.389 13.095 1.543 1.00 5.63 C ATOM 656 CE1 PHE A 48 6.702 11.174 -0.228 1.00 8.81 C ATOM 657 CE2 PHE A 48 8.398 12.358 0.920 1.00 9.79 C ATOM 658 CZ PHE A 48 8.053 11.341 0.016 1.00 7.51 C ATOM 659 HA PHE A 48 3.283 13.411 0.905 1.00 0.00 H ATOM 660 HB2 PHE A 48 5.559 14.627 2.440 1.00 0.00 H ATOM 661 HB3 PHE A 48 4.664 13.150 2.865 1.00 0.00 H ATOM 662 HD2 PHE A 48 7.687 13.850 2.270 1.00 0.00 H ATOM 663 HE2 PHE A 48 9.445 12.571 1.134 1.00 0.00 H ATOM 664 HZ PHE A 48 8.807 10.719 -0.466 1.00 0.00 H ATOM 665 HE1 PHE A 48 6.404 10.413 -0.949 1.00 0.00 H ATOM 666 HD1 PHE A 48 4.671 11.694 0.153 1.00 0.00 H ATOM 667 H PHE A 48 5.368 15.389 0.092 1.00 0.00 H ATOM 668 N ASP A 49 1.893 14.321 2.683 1.00 10.45 N ATOM 669 CA ASP A 49 0.916 15.033 3.522 1.00 15.00 C ATOM 670 C ASP A 49 1.487 15.156 4.958 1.00 20.17 C ATOM 671 O ASP A 49 1.274 14.237 5.769 1.00 22.50 O ATOM 672 CB ASP A 49 -0.462 14.451 3.441 1.00 15.54 C ATOM 673 CG ASP A 49 0.073 13.051 4.231 1.00 10.78 C ATOM 674 HA ASP A 49 0.773 16.043 3.137 1.00 0.00 H ATOM 675 HB2 ASP A 49 -1.215 15.013 3.994 1.00 0.00 H ATOM 676 HB3 ASP A 49 -0.813 14.280 2.423 1.00 0.00 H ATOM 677 H ASP A 49 1.816 13.298 2.511 1.00 0.00 H ATOM 678 N PHE A 50 2.208 16.232 5.181 1.00 19.89 N ATOM 679 CA PHE A 50 2.775 16.409 6.542 1.00 17.20 C ATOM 680 C PHE A 50 1.722 17.353 7.165 1.00 23.50 C ATOM 681 O PHE A 50 1.339 18.344 6.500 1.00 27.44 O ATOM 682 CB PHE A 50 4.134 17.003 6.383 1.00 14.60 C ATOM 683 CG PHE A 50 5.252 16.114 5.959 1.00 8.95 C ATOM 684 CD1 PHE A 50 5.434 14.770 6.023 1.00 15.65 C ATOM 685 CD2 PHE A 50 6.302 16.907 5.398 1.00 13.65 C ATOM 686 CE1 PHE A 50 6.548 14.119 5.558 1.00 12.56 C ATOM 687 CE2 PHE A 50 7.449 16.291 4.911 1.00 19.11 C ATOM 688 CZ PHE A 50 7.555 14.896 5.025 1.00 11.20 C ATOM 689 HA PHE A 50 2.926 15.523 7.159 1.00 0.00 H ATOM 690 HB2 PHE A 50 4.054 17.797 5.640 1.00 0.00 H ATOM 691 HB3 PHE A 50 4.412 17.434 7.345 1.00 0.00 H ATOM 692 HD2 PHE A 50 6.203 17.992 5.353 1.00 0.00 H ATOM 693 HE2 PHE A 50 8.246 16.876 4.452 1.00 0.00 H ATOM 694 HZ PHE A 50 8.467 14.409 4.680 1.00 0.00 H ATOM 695 HE1 PHE A 50 6.634 13.034 5.608 1.00 0.00 H ATOM 696 HD1 PHE A 50 4.643 14.170 6.473 1.00 0.00 H ATOM 697 H PHE A 50 2.375 16.934 4.432 1.00 0.00 H ATOM 698 N SER A 51 1.349 17.007 8.373 1.00 22.44 N ATOM 699 CA SER A 51 0.331 17.847 9.033 1.00 25.16 C ATOM 700 C SER A 51 0.922 18.972 9.901 1.00 24.20 C ATOM 701 O SER A 51 0.097 19.594 10.580 1.00 23.83 O ATOM 702 CB SER A 51 -0.510 16.845 9.790 1.00 26.80 C ATOM 703 OG SER A 51 0.345 16.420 10.847 1.00 30.75 O ATOM 704 HA SER A 51 -0.263 18.423 8.324 1.00 0.00 H ATOM 705 HB2 SER A 51 -0.786 16.006 9.151 1.00 0.00 H ATOM 706 HB3 SER A 51 -1.413 17.312 10.183 1.00 0.00 H ATOM 707 HG SER A 51 1.163 16.013 10.465 1.00 0.00 H ATOM 708 H SER A 51 1.754 16.175 8.847 1.00 0.00 H ATOM 709 N VAL A 52 2.195 19.192 9.843 1.00 18.82 N ATOM 710 CA VAL A 52 2.902 20.242 10.586 1.00 20.06 C ATOM 711 C VAL A 52 3.460 21.165 9.558 1.00 17.94 C ATOM 712 O VAL A 52 3.787 20.630 8.448 1.00 20.28 O ATOM 713 CB VAL A 52 3.852 19.284 11.373 1.00 24.40 C ATOM 714 CG1 VAL A 52 5.295 19.296 11.026 1.00 18.40 C ATOM 715 CG2 VAL A 52 3.383 19.294 12.800 1.00 19.10 C ATOM 716 HA VAL A 52 2.410 20.938 11.265 1.00 0.00 H ATOM 717 HB VAL A 52 3.767 18.255 11.025 1.00 0.00 H ATOM 718 HG11 VAL A 52 5.418 19.021 9.978 1.00 0.00 H ATOM 719 HG12 VAL A 52 5.699 20.295 11.190 1.00 0.00 H ATOM 720 HG13 VAL A 52 5.825 18.581 11.655 1.00 0.00 H ATOM 721 HG21 VAL A 52 3.440 20.309 13.193 1.00 0.00 H ATOM 722 HG22 VAL A 52 2.352 18.944 12.845 1.00 0.00 H ATOM 723 HG23 VAL A 52 4.018 18.637 13.394 1.00 0.00 H ATOM 724 H VAL A 52 2.761 18.578 9.223 1.00 0.00 H ATOM 725 N SER A 53 3.658 22.437 9.802 1.00 16.13 N ATOM 726 CA SER A 53 4.194 23.371 8.813 1.00 16.56 C ATOM 727 C SER A 53 5.708 23.445 8.644 1.00 17.43 C ATOM 728 O SER A 53 6.380 23.077 9.627 1.00 15.63 O ATOM 729 CB SER A 53 3.799 24.824 9.046 1.00 23.01 C ATOM 730 OG SER A 53 4.389 25.157 10.270 1.00 37.98 O ATOM 731 HA SER A 53 3.742 22.923 7.928 1.00 0.00 H ATOM 732 HB2 SER A 53 2.715 24.925 9.101 1.00 0.00 H ATOM 733 HB3 SER A 53 4.182 25.460 8.248 1.00 0.00 H ATOM 734 HG SER A 53 5.371 25.048 10.202 1.00 0.00 H ATOM 735 H SER A 53 3.422 22.801 10.747 1.00 0.00 H ATOM 736 N SER A 54 6.122 23.912 7.480 1.00 13.99 N ATOM 737 CA SER A 54 7.534 24.027 7.250 1.00 14.31 C ATOM 738 C SER A 54 7.993 25.356 7.909 1.00 13.20 C ATOM 739 O SER A 54 7.187 26.087 8.496 1.00 17.67 O ATOM 740 CB SER A 54 7.668 24.092 5.703 1.00 20.42 C ATOM 741 OG SER A 54 6.981 25.274 5.249 1.00 17.12 O ATOM 742 HA SER A 54 8.133 23.213 7.659 1.00 0.00 H ATOM 743 HB2 SER A 54 7.218 23.206 5.254 1.00 0.00 H ATOM 744 HB3 SER A 54 8.720 24.145 5.424 1.00 0.00 H ATOM 745 HG SER A 54 7.052 25.338 4.264 1.00 0.00 H ATOM 746 H SER A 54 5.440 24.190 6.746 1.00 0.00 H ATOM 747 N PRO A 55 9.237 25.706 7.806 1.00 12.85 N ATOM 748 CA PRO A 55 10.298 24.964 7.191 1.00 11.26 C ATOM 749 C PRO A 55 10.495 23.539 7.776 1.00 12.01 C ATOM 750 O PRO A 55 10.200 23.326 8.959 1.00 12.19 O ATOM 751 CB PRO A 55 11.553 25.734 7.522 1.00 10.85 C ATOM 752 CG PRO A 55 11.093 27.108 7.876 1.00 15.06 C ATOM 753 CD PRO A 55 9.683 27.007 8.421 1.00 12.95 C ATOM 754 HA PRO A 55 10.072 24.850 6.131 1.00 0.00 H ATOM 755 HD3 PRO A 55 9.676 26.960 9.510 1.00 0.00 H ATOM 756 HD2 PRO A 55 9.064 27.841 8.090 1.00 0.00 H ATOM 757 HG3 PRO A 55 11.102 27.741 6.989 1.00 0.00 H ATOM 758 HG2 PRO A 55 11.752 27.535 8.632 1.00 0.00 H ATOM 759 HB2 PRO A 55 12.071 25.276 8.365 1.00 0.00 H ATOM 760 HB3 PRO A 55 12.220 25.765 6.661 1.00 0.00 H ATOM 761 N TYR A 56 11.048 22.650 6.953 1.00 6.09 N ATOM 762 CA TYR A 56 11.311 21.277 7.358 1.00 7.22 C ATOM 763 C TYR A 56 12.802 21.092 7.253 1.00 4.83 C ATOM 764 O TYR A 56 13.589 21.736 6.478 1.00 7.29 O ATOM 765 CB TYR A 56 10.673 20.205 6.474 1.00 6.55 C ATOM 766 CG TYR A 56 9.175 20.313 6.350 1.00 7.52 C ATOM 767 CD1 TYR A 56 8.382 20.097 7.476 1.00 10.97 C ATOM 768 CD2 TYR A 56 8.556 20.631 5.114 1.00 14.45 C ATOM 769 CE1 TYR A 56 6.978 20.157 7.387 1.00 16.32 C ATOM 770 CE2 TYR A 56 7.139 20.714 5.037 1.00 10.36 C ATOM 771 CZ TYR A 56 6.420 20.472 6.156 1.00 19.87 C ATOM 772 OH TYR A 56 5.069 20.574 6.133 1.00 21.57 O ATOM 773 HA TYR A 56 10.889 21.149 8.355 1.00 0.00 H ATOM 774 HB3 TYR A 56 10.911 19.228 6.896 1.00 0.00 H ATOM 775 HB2 TYR A 56 11.105 20.284 5.476 1.00 0.00 H ATOM 776 HD2 TYR A 56 9.164 20.811 4.227 1.00 0.00 H ATOM 777 HE2 TYR A 56 6.644 20.966 4.099 1.00 0.00 H ATOM 778 HE1 TYR A 56 6.350 19.962 8.256 1.00 0.00 H ATOM 779 HD1 TYR A 56 8.853 19.880 8.434 1.00 0.00 H ATOM 780 HH TYR A 56 4.708 20.365 7.031 1.00 0.00 H ATOM 781 H TYR A 56 11.300 22.947 5.989 1.00 0.00 H ATOM 782 N TYR A 57 13.306 20.135 8.055 1.00 2.47 N ATOM 783 CA TYR A 57 14.706 19.787 8.128 1.00 2.77 C ATOM 784 C TYR A 57 14.857 18.256 8.135 1.00 2.68 C ATOM 785 O TYR A 57 13.894 17.678 8.716 1.00 4.77 O ATOM 786 CB TYR A 57 15.498 20.371 9.328 1.00 2.62 C ATOM 787 CG TYR A 57 15.417 21.882 9.319 1.00 2.00 C ATOM 788 CD1 TYR A 57 14.328 22.512 9.937 1.00 3.69 C ATOM 789 CD2 TYR A 57 16.390 22.599 8.638 1.00 7.84 C ATOM 790 CE1 TYR A 57 14.222 23.910 9.921 1.00 4.59 C ATOM 791 CE2 TYR A 57 16.290 23.975 8.600 1.00 7.51 C ATOM 792 CZ TYR A 57 15.202 24.557 9.232 1.00 7.93 C ATOM 793 OH TYR A 57 15.026 25.909 9.234 1.00 12.68 O ATOM 794 HA TYR A 57 15.145 20.247 7.243 1.00 0.00 H ATOM 795 HB3 TYR A 57 16.542 20.065 9.255 1.00 0.00 H ATOM 796 HB2 TYR A 57 15.074 19.993 10.258 1.00 0.00 H ATOM 797 HD2 TYR A 57 17.215 22.087 8.144 1.00 0.00 H ATOM 798 HE2 TYR A 57 17.039 24.582 8.092 1.00 0.00 H ATOM 799 HE1 TYR A 57 13.413 24.441 10.424 1.00 0.00 H ATOM 800 HD1 TYR A 57 13.562 21.914 10.431 1.00 0.00 H ATOM 801 HH TYR A 57 14.200 26.132 9.731 1.00 0.00 H ATOM 802 H TYR A 57 12.643 19.612 8.662 1.00 0.00 H ATOM 803 N GLU A 58 15.906 17.726 7.548 1.00 4.49 N ATOM 804 CA GLU A 58 16.004 16.259 7.582 1.00 3.63 C ATOM 805 C GLU A 58 17.261 15.858 8.297 1.00 4.08 C ATOM 806 O GLU A 58 18.275 16.557 8.190 1.00 2.93 O ATOM 807 CB GLU A 58 15.911 15.439 6.293 1.00 10.00 C ATOM 808 CG GLU A 58 16.819 16.096 5.289 1.00 8.55 C ATOM 809 CD GLU A 58 17.183 15.417 3.995 1.00 17.76 C ATOM 810 OE1 GLU A 58 17.882 14.445 4.071 1.00 12.27 O ATOM 811 OE2 GLU A 58 16.839 15.895 2.926 1.00 21.03 O ATOM 812 HA GLU A 58 15.074 16.004 8.091 1.00 0.00 H ATOM 813 HB2 GLU A 58 16.234 14.414 6.476 1.00 0.00 H ATOM 814 HB3 GLU A 58 14.885 15.435 5.924 1.00 0.00 H ATOM 815 HG2 GLU A 58 16.347 17.041 5.019 1.00 0.00 H ATOM 816 HG3 GLU A 58 17.757 16.295 5.807 1.00 0.00 H ATOM 817 H GLU A 58 16.629 18.313 7.084 1.00 0.00 H ATOM 818 N TRP A 59 17.249 14.704 8.948 1.00 2.00 N ATOM 819 CA TRP A 59 18.418 14.136 9.765 1.00 3.67 C ATOM 820 C TRP A 59 18.439 12.588 9.615 1.00 2.90 C ATOM 821 O TRP A 59 17.340 12.041 9.713 1.00 2.60 O ATOM 822 CB TRP A 59 18.104 14.680 11.238 1.00 4.02 C ATOM 823 CG TRP A 59 19.065 14.018 12.209 1.00 2.00 C ATOM 824 CD1 TRP A 59 18.677 12.954 13.003 1.00 2.29 C ATOM 825 CD2 TRP A 59 20.450 14.331 12.468 1.00 2.00 C ATOM 826 NE1 TRP A 59 19.804 12.571 13.762 1.00 3.55 N ATOM 827 CE2 TRP A 59 20.861 13.416 13.369 1.00 2.00 C ATOM 828 CE3 TRP A 59 21.339 15.249 11.934 1.00 2.00 C ATOM 829 CZ2 TRP A 59 22.136 13.369 13.883 1.00 4.73 C ATOM 830 CZ3 TRP A 59 22.613 15.221 12.383 1.00 8.22 C ATOM 831 CH2 TRP A 59 23.035 14.286 13.377 1.00 6.20 C ATOM 832 HA TRP A 59 19.419 14.439 9.456 1.00 0.00 H ATOM 833 HB2 TRP A 59 18.237 15.761 11.267 1.00 0.00 H ATOM 834 HB3 TRP A 59 17.078 14.434 11.510 1.00 0.00 H ATOM 835 HE1 TRP A 59 19.846 11.813 14.473 1.00 0.00 H ATOM 836 HD1 TRP A 59 17.688 12.497 13.036 1.00 0.00 H ATOM 837 HZ2 TRP A 59 22.421 12.647 14.648 1.00 0.00 H ATOM 838 HH2 TRP A 59 24.064 14.297 13.735 1.00 0.00 H ATOM 839 HZ3 TRP A 59 23.336 15.929 11.977 1.00 0.00 H ATOM 840 HE3 TRP A 59 21.022 15.968 11.179 1.00 0.00 H ATOM 841 H TRP A 59 16.378 14.138 8.902 1.00 0.00 H ATOM 842 N PRO A 60 19.578 12.017 9.374 1.00 2.00 N ATOM 843 CA PRO A 60 19.562 10.582 9.200 1.00 2.00 C ATOM 844 C PRO A 60 19.121 9.872 10.498 1.00 5.54 C ATOM 845 O PRO A 60 19.536 10.224 11.603 1.00 3.11 O ATOM 846 CB PRO A 60 21.018 10.305 8.848 1.00 3.71 C ATOM 847 CG PRO A 60 21.648 11.577 8.306 1.00 6.66 C ATOM 848 CD PRO A 60 20.896 12.596 9.228 1.00 2.05 C ATOM 849 HA PRO A 60 18.860 10.221 8.448 1.00 0.00 H ATOM 850 HD3 PRO A 60 21.391 12.685 10.195 1.00 0.00 H ATOM 851 HD2 PRO A 60 20.840 13.578 8.758 1.00 0.00 H ATOM 852 HG3 PRO A 60 21.426 11.732 7.250 1.00 0.00 H ATOM 853 HG2 PRO A 60 22.727 11.601 8.456 1.00 0.00 H ATOM 854 HB2 PRO A 60 21.555 9.983 9.740 1.00 0.00 H ATOM 855 HB3 PRO A 60 21.069 9.521 8.092 1.00 0.00 H ATOM 856 N ILE A 61 18.397 8.808 10.258 1.00 3.52 N ATOM 857 CA ILE A 61 17.948 7.847 11.278 1.00 2.00 C ATOM 858 C ILE A 61 18.721 6.574 10.819 1.00 6.21 C ATOM 859 O ILE A 61 18.616 6.135 9.642 1.00 3.17 O ATOM 860 CB ILE A 61 16.448 7.757 11.493 1.00 2.66 C ATOM 861 CG1 ILE A 61 16.333 6.656 12.717 1.00 2.15 C ATOM 862 CG2 ILE A 61 15.618 7.235 10.262 1.00 7.05 C ATOM 863 CD1 ILE A 61 14.854 6.669 13.234 1.00 2.00 C ATOM 864 HA ILE A 61 18.176 8.119 12.309 1.00 0.00 H ATOM 865 HB ILE A 61 16.036 8.748 11.685 1.00 0.00 H ATOM 866 HG12 ILE A 61 16.589 5.663 12.348 1.00 0.00 H ATOM 867 HG13 ILE A 61 17.011 6.928 13.526 1.00 0.00 H ATOM 868 HD11 ILE A 61 14.606 7.667 13.597 1.00 0.00 H ATOM 869 HD12 ILE A 61 14.183 6.400 12.418 1.00 0.00 H ATOM 870 HD13 ILE A 61 14.748 5.949 14.045 1.00 0.00 H ATOM 871 HG21 ILE A 61 15.768 7.903 9.414 1.00 0.00 H ATOM 872 HG22 ILE A 61 15.953 6.232 9.999 1.00 0.00 H ATOM 873 HG23 ILE A 61 14.560 7.210 10.523 1.00 0.00 H ATOM 874 H ILE A 61 18.118 8.628 9.272 1.00 0.00 H ATOM 875 N LEU A 62 19.489 5.834 11.679 1.00 4.13 N ATOM 876 CA LEU A 62 20.293 4.656 11.376 1.00 2.94 C ATOM 877 C LEU A 62 19.665 3.335 11.733 1.00 6.16 C ATOM 878 O LEU A 62 19.110 3.291 12.850 1.00 3.67 O ATOM 879 CB LEU A 62 21.690 4.830 12.040 1.00 3.19 C ATOM 880 CG LEU A 62 22.435 6.106 11.599 1.00 11.55 C ATOM 881 CD1 LEU A 62 23.816 5.960 12.211 1.00 5.02 C ATOM 882 CD2 LEU A 62 22.760 6.086 10.101 1.00 12.70 C ATOM 883 HA LEU A 62 20.381 4.603 10.291 1.00 0.00 H ATOM 884 HB2 LEU A 62 21.555 4.867 13.121 1.00 0.00 H ATOM 885 HB3 LEU A 62 22.303 3.967 11.781 1.00 0.00 H ATOM 886 HG LEU A 62 21.840 6.979 11.867 1.00 0.00 H ATOM 887 HD21 LEU A 62 23.392 5.226 9.879 1.00 0.00 H ATOM 888 HD22 LEU A 62 21.834 6.015 9.531 1.00 0.00 H ATOM 889 HD23 LEU A 62 23.285 7.003 9.832 1.00 0.00 H ATOM 890 HD11 LEU A 62 23.726 5.892 13.295 1.00 0.00 H ATOM 891 HD12 LEU A 62 24.289 5.056 11.827 1.00 0.00 H ATOM 892 HD13 LEU A 62 24.422 6.828 11.949 1.00 0.00 H ATOM 893 H LEU A 62 19.500 6.151 12.669 1.00 0.00 H ATOM 894 N SER A 63 19.713 2.340 10.854 1.00 4.83 N ATOM 895 CA SER A 63 19.019 1.083 11.267 1.00 3.62 C ATOM 896 C SER A 63 19.592 0.456 12.557 1.00 4.27 C ATOM 897 O SER A 63 18.787 -0.231 13.162 1.00 7.66 O ATOM 898 CB SER A 63 19.194 0.084 10.109 1.00 3.71 C ATOM 899 OG SER A 63 20.518 -0.143 9.781 1.00 8.78 O ATOM 900 HA SER A 63 17.976 1.318 11.480 1.00 0.00 H ATOM 901 HB2 SER A 63 18.682 0.478 9.231 1.00 0.00 H ATOM 902 HB3 SER A 63 18.741 -0.864 10.398 1.00 0.00 H ATOM 903 HG SER A 63 20.565 -0.791 9.034 1.00 0.00 H ATOM 904 H SER A 63 20.201 2.430 9.940 1.00 0.00 H ATOM 905 N SER A 64 20.830 0.786 12.784 1.00 6.36 N ATOM 906 CA SER A 64 21.560 0.248 13.975 1.00 6.38 C ATOM 907 C SER A 64 21.004 0.801 15.296 1.00 9.97 C ATOM 908 O SER A 64 21.331 0.097 16.290 1.00 13.92 O ATOM 909 CB SER A 64 22.979 0.651 14.005 1.00 5.24 C ATOM 910 OG SER A 64 23.279 2.032 14.020 1.00 8.68 O ATOM 911 HA SER A 64 21.438 -0.831 13.883 1.00 0.00 H ATOM 912 HB2 SER A 64 23.455 0.226 13.122 1.00 0.00 H ATOM 913 HB3 SER A 64 23.421 0.214 14.900 1.00 0.00 H ATOM 914 HG SER A 64 24.261 2.155 14.040 1.00 0.00 H ATOM 915 H SER A 64 21.318 1.431 12.130 1.00 0.00 H ATOM 916 N GLY A 65 20.313 1.910 15.345 1.00 5.21 N ATOM 917 CA GLY A 65 19.818 2.423 16.641 1.00 8.51 C ATOM 918 C GLY A 65 20.803 3.454 17.183 1.00 11.64 C ATOM 919 O GLY A 65 20.521 4.203 18.160 1.00 10.26 O ATOM 920 HA3 GLY A 65 19.727 1.599 17.348 1.00 0.00 H ATOM 921 HA2 GLY A 65 18.843 2.889 16.500 1.00 0.00 H ATOM 922 H GLY A 65 20.111 2.433 14.469 1.00 0.00 H ATOM 923 N ASP A 66 21.975 3.614 16.553 1.00 7.44 N ATOM 924 CA ASP A 66 22.964 4.600 16.937 1.00 7.78 C ATOM 925 C ASP A 66 22.587 5.990 16.427 1.00 7.72 C ATOM 926 O ASP A 66 21.894 6.024 15.411 1.00 9.41 O ATOM 927 CB ASP A 66 24.317 4.410 16.320 1.00 7.51 C ATOM 928 CG ASP A 66 25.052 3.161 16.773 1.00 26.52 C ATOM 929 OD1 ASP A 66 25.077 2.844 17.955 1.00 26.60 O ATOM 930 OD2 ASP A 66 25.699 2.448 16.004 1.00 26.71 O ATOM 931 HA ASP A 66 22.993 4.490 18.021 1.00 0.00 H ATOM 932 HB2 ASP A 66 24.193 4.358 15.238 1.00 0.00 H ATOM 933 HB3 ASP A 66 24.930 5.275 16.572 1.00 0.00 H ATOM 934 H ASP A 66 22.186 2.996 15.744 1.00 0.00 H ATOM 935 N VAL A 67 23.030 7.045 17.105 1.00 4.63 N ATOM 936 CA VAL A 67 22.690 8.406 16.627 1.00 5.07 C ATOM 937 C VAL A 67 23.792 8.659 15.596 1.00 3.57 C ATOM 938 O VAL A 67 24.982 8.391 15.756 1.00 4.16 O ATOM 939 CB VAL A 67 22.602 9.415 17.754 1.00 6.82 C ATOM 940 CG1 VAL A 67 22.573 10.860 17.303 1.00 11.87 C ATOM 941 CG2 VAL A 67 21.333 9.166 18.618 1.00 8.82 C ATOM 942 HA VAL A 67 21.696 8.503 16.190 1.00 0.00 H ATOM 943 HB VAL A 67 23.517 9.264 18.327 1.00 0.00 H ATOM 944 HG11 VAL A 67 23.483 11.084 16.747 1.00 0.00 H ATOM 945 HG12 VAL A 67 21.706 11.022 16.663 1.00 0.00 H ATOM 946 HG13 VAL A 67 22.509 11.510 18.175 1.00 0.00 H ATOM 947 HG21 VAL A 67 20.445 9.258 17.992 1.00 0.00 H ATOM 948 HG22 VAL A 67 21.376 8.164 19.045 1.00 0.00 H ATOM 949 HG23 VAL A 67 21.291 9.902 19.421 1.00 0.00 H ATOM 950 H VAL A 67 23.608 6.916 17.960 1.00 0.00 H ATOM 951 N TYR A 68 23.356 9.263 14.468 1.00 6.34 N ATOM 952 CA TYR A 68 24.257 9.592 13.356 1.00 2.00 C ATOM 953 C TYR A 68 25.282 10.606 13.897 1.00 5.08 C ATOM 954 O TYR A 68 25.020 11.693 14.460 1.00 4.59 O ATOM 955 CB TYR A 68 23.418 10.259 12.183 1.00 5.38 C ATOM 956 CG TYR A 68 24.365 10.668 11.029 1.00 3.50 C ATOM 957 CD1 TYR A 68 24.897 9.638 10.245 1.00 5.50 C ATOM 958 CD2 TYR A 68 24.613 11.998 10.701 1.00 5.08 C ATOM 959 CE1 TYR A 68 25.766 9.873 9.190 1.00 5.24 C ATOM 960 CE2 TYR A 68 25.489 12.273 9.660 1.00 5.06 C ATOM 961 CZ TYR A 68 26.025 11.188 8.895 1.00 7.10 C ATOM 962 OH TYR A 68 26.888 11.603 7.909 1.00 7.39 O ATOM 963 HA TYR A 68 24.753 8.702 12.970 1.00 0.00 H ATOM 964 HB3 TYR A 68 22.905 11.143 12.562 1.00 0.00 H ATOM 965 HB2 TYR A 68 22.682 9.545 11.812 1.00 0.00 H ATOM 966 HD2 TYR A 68 24.130 12.806 11.250 1.00 0.00 H ATOM 967 HE2 TYR A 68 25.765 13.302 9.428 1.00 0.00 H ATOM 968 HE1 TYR A 68 26.219 9.058 8.626 1.00 0.00 H ATOM 969 HD1 TYR A 68 24.617 8.609 10.473 1.00 0.00 H ATOM 970 HH TYR A 68 27.226 10.815 7.415 1.00 0.00 H ATOM 971 H TYR A 68 22.348 9.503 14.385 1.00 0.00 H ATOM 972 N SER A 69 26.534 10.303 13.591 1.00 6.22 N ATOM 973 CA SER A 69 27.711 11.066 13.944 1.00 11.88 C ATOM 974 C SER A 69 28.669 11.335 12.781 1.00 12.10 C ATOM 975 O SER A 69 29.791 11.804 13.058 1.00 16.11 O ATOM 976 CB SER A 69 28.288 10.426 15.196 1.00 11.89 C ATOM 977 OG SER A 69 28.865 9.215 14.927 1.00 18.31 O ATOM 978 HA SER A 69 27.455 12.098 14.185 1.00 0.00 H ATOM 979 HB2 SER A 69 27.487 10.282 15.921 1.00 0.00 H ATOM 980 HB3 SER A 69 29.042 11.091 15.617 1.00 0.00 H ATOM 981 HG SER A 69 29.228 8.831 15.764 1.00 0.00 H ATOM 982 H SER A 69 26.686 9.432 13.044 1.00 0.00 H ATOM 983 N GLY A 70 28.314 11.184 11.535 1.00 12.13 N ATOM 984 CA GLY A 70 29.323 11.514 10.429 1.00 12.67 C ATOM 985 C GLY A 70 29.425 10.162 9.713 1.00 13.77 C ATOM 986 O GLY A 70 28.919 9.057 10.059 1.00 15.41 O ATOM 987 HA3 GLY A 70 30.284 11.822 10.842 1.00 0.00 H ATOM 988 HA2 GLY A 70 28.948 12.292 9.764 1.00 0.00 H ATOM 989 H GLY A 70 27.361 10.845 11.295 1.00 0.00 H ATOM 990 N GLY A 71 30.134 10.086 8.612 1.00 18.44 N ATOM 991 CA GLY A 71 30.117 8.674 8.085 1.00 12.52 C ATOM 992 C GLY A 71 28.855 8.495 7.213 1.00 6.48 C ATOM 993 O GLY A 71 28.228 9.472 6.896 1.00 5.94 O ATOM 994 HA3 GLY A 71 30.093 7.970 8.917 1.00 0.00 H ATOM 995 HA2 GLY A 71 31.009 8.494 7.484 1.00 0.00 H ATOM 996 H GLY A 71 30.634 10.883 8.168 1.00 0.00 H ATOM 997 N SER A 72 28.692 7.246 6.757 1.00 5.03 N ATOM 998 CA SER A 72 27.546 7.035 5.856 1.00 5.16 C ATOM 999 C SER A 72 26.226 7.287 6.468 1.00 4.87 C ATOM 1000 O SER A 72 25.951 6.655 7.521 1.00 4.11 O ATOM 1001 CB SER A 72 27.649 5.583 5.324 1.00 11.40 C ATOM 1002 OG SER A 72 26.520 5.371 4.409 1.00 5.15 O ATOM 1003 HA SER A 72 27.604 7.769 5.052 1.00 0.00 H ATOM 1004 HB2 SER A 72 27.595 4.877 6.153 1.00 0.00 H ATOM 1005 HB3 SER A 72 28.591 5.446 4.793 1.00 0.00 H ATOM 1006 HG SER A 72 26.556 4.449 4.050 1.00 0.00 H ATOM 1007 H SER A 72 29.335 6.473 7.023 1.00 0.00 H ATOM 1008 N PRO A 73 25.320 8.093 5.925 1.00 2.00 N ATOM 1009 CA PRO A 73 24.044 8.359 6.500 1.00 2.00 C ATOM 1010 C PRO A 73 22.996 7.313 6.171 1.00 3.75 C ATOM 1011 O PRO A 73 21.869 7.481 6.688 1.00 4.09 O ATOM 1012 CB PRO A 73 23.598 9.683 5.830 1.00 3.16 C ATOM 1013 CG PRO A 73 24.282 9.632 4.498 1.00 2.00 C ATOM 1014 CD PRO A 73 25.638 8.925 4.677 1.00 3.46 C ATOM 1015 HA PRO A 73 24.130 8.382 7.586 1.00 0.00 H ATOM 1016 HD3 PRO A 73 25.887 8.298 3.821 1.00 0.00 H ATOM 1017 HD2 PRO A 73 26.447 9.633 4.854 1.00 0.00 H ATOM 1018 HG3 PRO A 73 24.440 10.644 4.126 1.00 0.00 H ATOM 1019 HG2 PRO A 73 23.668 9.077 3.789 1.00 0.00 H ATOM 1020 HB2 PRO A 73 22.515 9.718 5.714 1.00 0.00 H ATOM 1021 HB3 PRO A 73 23.929 10.546 6.408 1.00 0.00 H ATOM 1022 N GLY A 74 23.309 6.369 5.280 1.00 3.79 N ATOM 1023 CA GLY A 74 22.278 5.423 4.955 1.00 3.59 C ATOM 1024 C GLY A 74 21.158 6.164 4.128 1.00 4.99 C ATOM 1025 O GLY A 74 21.376 7.237 3.652 1.00 6.13 O ATOM 1026 HA3 GLY A 74 21.850 5.016 5.871 1.00 0.00 H ATOM 1027 HA2 GLY A 74 22.698 4.612 4.360 1.00 0.00 H ATOM 1028 H GLY A 74 24.252 6.321 4.843 1.00 0.00 H ATOM 1029 N ALA A 75 20.056 5.526 4.008 1.00 3.53 N ATOM 1030 CA ALA A 75 18.959 6.095 3.206 1.00 5.37 C ATOM 1031 C ALA A 75 17.782 6.646 3.861 1.00 3.43 C ATOM 1032 O ALA A 75 16.900 7.259 3.265 1.00 3.99 O ATOM 1033 CB ALA A 75 18.331 4.775 2.549 1.00 6.58 C ATOM 1034 HA ALA A 75 19.405 6.908 2.634 1.00 0.00 H ATOM 1035 HB1 ALA A 75 19.090 4.273 1.949 1.00 0.00 H ATOM 1036 HB2 ALA A 75 17.988 4.106 3.338 1.00 0.00 H ATOM 1037 HB3 ALA A 75 17.489 5.052 1.914 1.00 0.00 H ATOM 1038 H ALA A 75 19.934 4.606 4.477 1.00 0.00 H ATOM 1039 N ASP A 76 17.729 6.477 5.210 1.00 2.00 N ATOM 1040 CA ASP A 76 16.519 6.905 5.973 1.00 2.00 C ATOM 1041 C ASP A 76 16.617 8.246 6.678 1.00 2.00 C ATOM 1042 O ASP A 76 17.757 8.479 7.082 1.00 2.00 O ATOM 1043 CB ASP A 76 16.142 5.759 6.914 1.00 2.24 C ATOM 1044 CG ASP A 76 15.999 4.392 6.317 1.00 9.72 C ATOM 1045 OD1 ASP A 76 15.672 4.256 5.099 1.00 5.31 O ATOM 1046 OD2 ASP A 76 16.169 3.388 7.016 1.00 3.19 O ATOM 1047 HA ASP A 76 15.723 7.098 5.253 1.00 0.00 H ATOM 1048 HB2 ASP A 76 16.912 5.701 7.683 1.00 0.00 H ATOM 1049 HB3 ASP A 76 15.188 6.015 7.375 1.00 0.00 H ATOM 1050 H ASP A 76 18.533 6.049 5.711 1.00 0.00 H ATOM 1051 N ARG A 77 15.482 8.909 6.762 1.00 2.00 N ATOM 1052 CA ARG A 77 15.560 10.248 7.393 1.00 2.00 C ATOM 1053 C ARG A 77 14.304 10.545 8.265 1.00 3.82 C ATOM 1054 O ARG A 77 13.249 10.051 7.970 1.00 6.87 O ATOM 1055 CB ARG A 77 15.588 11.465 6.363 1.00 3.26 C ATOM 1056 CG ARG A 77 16.565 11.247 5.195 1.00 2.00 C ATOM 1057 CD ARG A 77 17.993 11.578 5.488 1.00 7.55 C ATOM 1058 NE ARG A 77 19.081 11.424 4.515 1.00 2.00 N ATOM 1059 CZ ARG A 77 19.834 10.386 4.365 1.00 3.69 C ATOM 1060 NH1 ARG A 77 19.717 9.327 5.249 1.00 4.54 N ATOM 1061 NH2 ARG A 77 20.746 10.209 3.382 1.00 3.07 N ATOM 1062 HA ARG A 77 16.490 10.192 7.959 1.00 0.00 H ATOM 1063 HB2 ARG A 77 14.586 11.598 5.956 1.00 0.00 H ATOM 1064 HB3 ARG A 77 15.884 12.367 6.899 1.00 0.00 H ATOM 1065 HG2 ARG A 77 16.515 10.198 4.905 1.00 0.00 H ATOM 1066 HG3 ARG A 77 16.239 11.869 4.362 1.00 0.00 H ATOM 1067 HD2 ARG A 77 18.271 10.963 6.344 1.00 0.00 H ATOM 1068 HD3 ARG A 77 18.001 12.628 5.779 1.00 0.00 H ATOM 1069 HE ARG A 77 19.263 12.230 3.884 1.00 0.00 H ATOM 1070 HH12 ARG A 77 20.319 8.487 5.136 1.00 0.00 H ATOM 1071 HH11 ARG A 77 19.027 9.372 6.026 1.00 0.00 H ATOM 1072 HH22 ARG A 77 21.307 9.334 3.345 1.00 0.00 H ATOM 1073 HH21 ARG A 77 20.886 10.948 2.663 1.00 0.00 H ATOM 1074 H ARG A 77 14.586 8.517 6.407 1.00 0.00 H ATOM 1075 N VAL A 78 14.564 11.381 9.290 1.00 2.44 N ATOM 1076 CA VAL A 78 13.468 11.882 10.126 1.00 2.92 C ATOM 1077 C VAL A 78 13.354 13.359 9.598 1.00 2.00 C ATOM 1078 O VAL A 78 14.383 13.986 9.302 1.00 3.44 O ATOM 1079 CB VAL A 78 13.844 11.956 11.659 1.00 5.37 C ATOM 1080 CG1 VAL A 78 13.802 10.492 12.053 1.00 12.79 C ATOM 1081 CG2 VAL A 78 15.077 12.491 12.290 1.00 2.39 C ATOM 1082 HA VAL A 78 12.579 11.254 10.063 1.00 0.00 H ATOM 1083 HB VAL A 78 13.166 12.738 12.001 1.00 0.00 H ATOM 1084 HG11 VAL A 78 12.802 10.097 11.873 1.00 0.00 H ATOM 1085 HG12 VAL A 78 14.526 9.936 11.458 1.00 0.00 H ATOM 1086 HG13 VAL A 78 14.047 10.394 13.111 1.00 0.00 H ATOM 1087 HG21 VAL A 78 15.941 11.935 11.926 1.00 0.00 H ATOM 1088 HG22 VAL A 78 15.187 13.545 12.033 1.00 0.00 H ATOM 1089 HG23 VAL A 78 15.005 12.385 13.372 1.00 0.00 H ATOM 1090 H VAL A 78 15.543 11.671 9.488 1.00 0.00 H ATOM 1091 N VAL A 79 12.129 13.817 9.526 1.00 3.19 N ATOM 1092 CA VAL A 79 11.900 15.176 9.065 1.00 2.62 C ATOM 1093 C VAL A 79 11.245 15.912 10.260 1.00 2.29 C ATOM 1094 O VAL A 79 10.202 15.312 10.665 1.00 5.44 O ATOM 1095 CB VAL A 79 11.037 15.241 7.734 1.00 6.92 C ATOM 1096 CG1 VAL A 79 10.810 16.714 7.349 1.00 2.84 C ATOM 1097 CG2 VAL A 79 11.867 14.499 6.635 1.00 6.24 C ATOM 1098 HA VAL A 79 12.833 15.659 8.776 1.00 0.00 H ATOM 1099 HB VAL A 79 10.059 14.775 7.855 1.00 0.00 H ATOM 1100 HG11 VAL A 79 10.279 17.221 8.155 1.00 0.00 H ATOM 1101 HG12 VAL A 79 11.773 17.198 7.185 1.00 0.00 H ATOM 1102 HG13 VAL A 79 10.218 16.762 6.435 1.00 0.00 H ATOM 1103 HG21 VAL A 79 12.826 15.001 6.505 1.00 0.00 H ATOM 1104 HG22 VAL A 79 12.035 13.467 6.943 1.00 0.00 H ATOM 1105 HG23 VAL A 79 11.317 14.514 5.694 1.00 0.00 H ATOM 1106 H VAL A 79 11.327 13.213 9.797 1.00 0.00 H ATOM 1107 N PHE A 80 11.863 17.033 10.554 1.00 2.91 N ATOM 1108 CA PHE A 80 11.146 17.768 11.683 1.00 3.10 C ATOM 1109 C PHE A 80 11.029 19.221 11.223 1.00 5.30 C ATOM 1110 O PHE A 80 11.751 19.631 10.285 1.00 7.43 O ATOM 1111 CB PHE A 80 11.939 17.531 12.999 1.00 6.43 C ATOM 1112 CG PHE A 80 13.395 17.949 12.930 1.00 7.14 C ATOM 1113 CD1 PHE A 80 13.795 19.248 13.086 1.00 2.50 C ATOM 1114 CD2 PHE A 80 14.340 16.917 12.710 1.00 11.22 C ATOM 1115 CE1 PHE A 80 15.171 19.492 12.965 1.00 6.90 C ATOM 1116 CE2 PHE A 80 15.704 17.191 12.661 1.00 6.28 C ATOM 1117 CZ PHE A 80 16.110 18.513 12.809 1.00 8.47 C ATOM 1118 HA PHE A 80 10.138 17.415 11.900 1.00 0.00 H ATOM 1119 HB2 PHE A 80 11.457 18.098 13.796 1.00 0.00 H ATOM 1120 HB3 PHE A 80 11.899 16.468 13.236 1.00 0.00 H ATOM 1121 HD2 PHE A 80 13.994 15.892 12.577 1.00 0.00 H ATOM 1122 HE2 PHE A 80 16.432 16.394 12.511 1.00 0.00 H ATOM 1123 HZ PHE A 80 17.170 18.766 12.801 1.00 0.00 H ATOM 1124 HE1 PHE A 80 15.512 20.527 12.998 1.00 0.00 H ATOM 1125 HD1 PHE A 80 13.084 20.048 13.293 1.00 0.00 H ATOM 1126 H PHE A 80 12.724 17.374 10.081 1.00 0.00 H ATOM 1127 N ASN A 81 10.228 20.036 11.911 1.00 4.41 N ATOM 1128 CA ASN A 81 10.100 21.460 11.521 1.00 6.70 C ATOM 1129 C ASN A 81 10.841 22.423 12.539 1.00 9.42 C ATOM 1130 O ASN A 81 11.527 21.984 13.475 1.00 8.60 O ATOM 1131 CB ASN A 81 8.633 21.753 11.178 1.00 8.71 C ATOM 1132 CG ASN A 81 7.771 21.968 12.436 1.00 11.41 C ATOM 1133 OD1 ASN A 81 8.218 21.775 13.581 1.00 9.25 O ATOM 1134 ND2 ASN A 81 6.497 22.312 12.470 1.00 14.85 N ATOM 1135 HA ASN A 81 10.642 21.679 10.601 1.00 0.00 H ATOM 1136 HB2 ASN A 81 8.589 22.653 10.564 1.00 0.00 H ATOM 1137 HB3 ASN A 81 8.229 20.911 10.616 1.00 0.00 H ATOM 1138 HD22 ASN A 81 5.987 22.506 11.585 1.00 0.00 H ATOM 1139 HD21 ASN A 81 6.003 22.389 13.382 1.00 0.00 H ATOM 1140 H ASN A 81 9.692 19.671 12.724 1.00 0.00 H ATOM 1141 N GLU A 82 10.606 23.700 12.239 1.00 7.56 N ATOM 1142 CA GLU A 82 11.254 24.687 13.075 1.00 10.63 C ATOM 1143 C GLU A 82 10.814 24.633 14.542 1.00 9.89 C ATOM 1144 O GLU A 82 11.616 25.081 15.356 1.00 12.45 O ATOM 1145 CB GLU A 82 10.934 26.020 12.347 1.00 8.66 C ATOM 1146 CG GLU A 82 11.998 27.040 12.717 1.00 11.39 C ATOM 1147 CD GLU A 82 13.323 26.973 12.053 1.00 16.90 C ATOM 1148 OE1 GLU A 82 13.399 27.017 10.801 1.00 18.62 O ATOM 1149 OE2 GLU A 82 14.375 26.932 12.672 1.00 19.85 O ATOM 1150 HA GLU A 82 12.327 24.526 13.177 1.00 0.00 H ATOM 1151 HB2 GLU A 82 10.937 25.860 11.269 1.00 0.00 H ATOM 1152 HB3 GLU A 82 9.954 26.382 12.657 1.00 0.00 H ATOM 1153 HG2 GLU A 82 11.584 28.025 12.504 1.00 0.00 H ATOM 1154 HG3 GLU A 82 12.173 26.945 13.789 1.00 0.00 H ATOM 1155 H GLU A 82 9.990 23.972 11.447 1.00 0.00 H ATOM 1156 N ASN A 83 9.681 24.144 14.948 1.00 9.62 N ATOM 1157 CA ASN A 83 9.157 24.036 16.276 1.00 11.56 C ATOM 1158 C ASN A 83 9.403 22.659 16.901 1.00 9.10 C ATOM 1159 O ASN A 83 8.817 22.165 17.887 1.00 11.94 O ATOM 1160 CB ASN A 83 7.675 24.443 16.304 1.00 14.63 C ATOM 1161 CG ASN A 83 7.873 25.934 16.663 1.00 35.05 C ATOM 1162 OD1 ASN A 83 7.645 26.659 15.680 1.00 34.92 O ATOM 1163 ND2 ASN A 83 8.292 26.239 17.910 1.00 35.72 N ATOM 1164 HA ASN A 83 9.706 24.737 16.905 1.00 0.00 H ATOM 1165 HB2 ASN A 83 7.191 24.311 15.336 1.00 0.00 H ATOM 1166 HB3 ASN A 83 7.112 23.905 17.067 1.00 0.00 H ATOM 1167 HD22 ASN A 83 8.430 25.484 18.612 1.00 0.00 H ATOM 1168 HD21 ASN A 83 8.477 27.229 18.169 1.00 0.00 H ATOM 1169 H ASN A 83 9.063 23.776 14.197 1.00 0.00 H ATOM 1170 N ASN A 84 10.377 21.969 16.292 1.00 6.84 N ATOM 1171 CA ASN A 84 10.736 20.648 16.803 1.00 7.66 C ATOM 1172 C ASN A 84 9.550 19.680 16.821 1.00 8.50 C ATOM 1173 O ASN A 84 9.327 18.812 17.696 1.00 9.92 O ATOM 1174 CB ASN A 84 11.423 20.770 18.154 1.00 17.40 C ATOM 1175 CG ASN A 84 12.143 19.530 18.640 1.00 17.38 C ATOM 1176 OD1 ASN A 84 12.641 19.273 19.724 1.00 26.81 O ATOM 1177 ND2 ASN A 84 12.378 18.527 17.838 1.00 9.39 N ATOM 1178 HA ASN A 84 11.451 20.205 16.110 1.00 0.00 H ATOM 1179 HB2 ASN A 84 12.153 21.577 18.087 1.00 0.00 H ATOM 1180 HB3 ASN A 84 10.665 21.028 18.893 1.00 0.00 H ATOM 1181 HD22 ASN A 84 12.032 18.553 16.858 1.00 0.00 H ATOM 1182 HD21 ASN A 84 12.911 17.702 18.180 1.00 0.00 H ATOM 1183 H ASN A 84 10.870 22.368 15.468 1.00 0.00 H ATOM 1184 N GLN A 85 8.661 19.672 15.823 1.00 8.05 N ATOM 1185 CA GLN A 85 7.523 18.774 15.691 1.00 7.22 C ATOM 1186 C GLN A 85 7.920 17.760 14.564 1.00 8.04 C ATOM 1187 O GLN A 85 8.474 18.187 13.526 1.00 7.51 O ATOM 1188 CB GLN A 85 6.247 19.459 15.221 1.00 12.54 C ATOM 1189 CG GLN A 85 5.726 20.460 16.283 1.00 13.60 C ATOM 1190 CD GLN A 85 4.527 21.172 15.697 1.00 23.19 C ATOM 1191 OE1 GLN A 85 4.674 22.186 15.030 1.00 22.18 O ATOM 1192 NE2 GLN A 85 3.321 20.644 15.859 1.00 26.87 N ATOM 1193 HA GLN A 85 7.318 18.336 16.668 1.00 0.00 H ATOM 1194 HB2 GLN A 85 6.452 19.997 14.295 1.00 0.00 H ATOM 1195 HB3 GLN A 85 5.483 18.703 15.039 1.00 0.00 H ATOM 1196 HG2 GLN A 85 5.435 19.924 17.187 1.00 0.00 H ATOM 1197 HG3 GLN A 85 6.505 21.183 16.526 1.00 0.00 H ATOM 1198 HE22 GLN A 85 3.203 19.781 16.428 1.00 0.00 H ATOM 1199 HE21 GLN A 85 2.493 21.093 15.417 1.00 0.00 H ATOM 1200 H GLN A 85 8.795 20.375 15.068 1.00 0.00 H ATOM 1201 N LEU A 86 7.563 16.536 14.797 1.00 5.85 N ATOM 1202 CA LEU A 86 7.881 15.474 13.851 1.00 5.87 C ATOM 1203 C LEU A 86 6.972 15.624 12.612 1.00 9.42 C ATOM 1204 O LEU A 86 5.765 15.680 12.847 1.00 10.63 O ATOM 1205 CB LEU A 86 7.637 14.102 14.478 1.00 5.37 C ATOM 1206 CG LEU A 86 7.920 12.895 13.522 1.00 8.50 C ATOM 1207 CD1 LEU A 86 9.432 12.704 13.243 1.00 7.00 C ATOM 1208 CD2 LEU A 86 7.572 11.585 14.241 1.00 7.70 C ATOM 1209 HA LEU A 86 8.932 15.552 13.572 1.00 0.00 H ATOM 1210 HB2 LEU A 86 8.284 14.005 15.350 1.00 0.00 H ATOM 1211 HB3 LEU A 86 6.595 14.051 14.793 1.00 0.00 H ATOM 1212 HG LEU A 86 7.348 13.102 12.617 1.00 0.00 H ATOM 1213 HD21 LEU A 86 8.183 11.491 15.139 1.00 0.00 H ATOM 1214 HD22 LEU A 86 6.518 11.593 14.517 1.00 0.00 H ATOM 1215 HD23 LEU A 86 7.769 10.744 13.576 1.00 0.00 H ATOM 1216 HD11 LEU A 86 9.831 13.605 12.776 1.00 0.00 H ATOM 1217 HD12 LEU A 86 9.953 12.519 14.182 1.00 0.00 H ATOM 1218 HD13 LEU A 86 9.572 11.854 12.575 1.00 0.00 H ATOM 1219 H LEU A 86 7.044 16.309 15.669 1.00 0.00 H ATOM 1220 N ALA A 87 7.564 15.651 11.404 1.00 5.98 N ATOM 1221 CA ALA A 87 6.724 15.740 10.182 1.00 6.14 C ATOM 1222 C ALA A 87 6.598 14.288 9.617 1.00 6.17 C ATOM 1223 O ALA A 87 5.401 14.040 9.263 1.00 6.60 O ATOM 1224 CB ALA A 87 7.405 16.733 9.252 1.00 5.53 C ATOM 1225 HA ALA A 87 5.710 16.105 10.345 1.00 0.00 H ATOM 1226 HB1 ALA A 87 7.475 17.702 9.746 1.00 0.00 H ATOM 1227 HB2 ALA A 87 8.405 16.374 9.009 1.00 0.00 H ATOM 1228 HB3 ALA A 87 6.821 16.831 8.337 1.00 0.00 H ATOM 1229 H ALA A 87 8.600 15.610 11.327 1.00 0.00 H ATOM 1230 N GLY A 88 7.679 13.535 9.650 1.00 7.15 N ATOM 1231 CA GLY A 88 7.425 12.109 9.105 1.00 6.25 C ATOM 1232 C GLY A 88 8.799 11.456 9.031 1.00 8.14 C ATOM 1233 O GLY A 88 9.838 12.043 9.405 1.00 6.41 O ATOM 1234 HA3 GLY A 88 6.969 12.154 8.116 1.00 0.00 H ATOM 1235 HA2 GLY A 88 6.773 11.553 9.779 1.00 0.00 H ATOM 1236 H GLY A 88 8.601 13.863 10.003 1.00 0.00 H ATOM 1237 N VAL A 89 8.819 10.219 8.532 1.00 6.04 N ATOM 1238 CA VAL A 89 9.997 9.372 8.350 1.00 4.83 C ATOM 1239 C VAL A 89 9.978 8.950 6.832 1.00 3.04 C ATOM 1240 O VAL A 89 8.928 8.447 6.504 1.00 2.41 O ATOM 1241 CB VAL A 89 9.942 8.134 9.330 1.00 5.90 C ATOM 1242 CG1 VAL A 89 11.285 7.421 9.142 1.00 6.71 C ATOM 1243 CG2 VAL A 89 9.820 8.559 10.786 1.00 8.11 C ATOM 1244 HA VAL A 89 10.927 9.887 8.589 1.00 0.00 H ATOM 1245 HB VAL A 89 9.076 7.511 9.107 1.00 0.00 H ATOM 1246 HG11 VAL A 89 11.387 7.108 8.103 1.00 0.00 H ATOM 1247 HG12 VAL A 89 12.096 8.103 9.399 1.00 0.00 H ATOM 1248 HG13 VAL A 89 11.325 6.546 9.791 1.00 0.00 H ATOM 1249 HG21 VAL A 89 10.681 9.169 11.058 1.00 0.00 H ATOM 1250 HG22 VAL A 89 8.906 9.138 10.919 1.00 0.00 H ATOM 1251 HG23 VAL A 89 9.786 7.673 11.420 1.00 0.00 H ATOM 1252 H VAL A 89 7.905 9.816 8.243 1.00 0.00 H ATOM 1253 N ILE A 90 11.047 9.356 6.161 1.00 3.56 N ATOM 1254 CA ILE A 90 11.021 9.032 4.697 1.00 6.63 C ATOM 1255 C ILE A 90 12.301 8.333 4.420 1.00 2.00 C ATOM 1256 O ILE A 90 13.255 8.243 5.235 1.00 5.68 O ATOM 1257 CB ILE A 90 10.902 10.436 3.926 1.00 3.82 C ATOM 1258 CG1 ILE A 90 12.220 11.275 4.284 1.00 8.41 C ATOM 1259 CG2 ILE A 90 9.594 11.114 4.302 1.00 5.13 C ATOM 1260 CD1 ILE A 90 12.245 12.728 3.642 1.00 10.09 C ATOM 1261 HA ILE A 90 10.194 8.396 4.379 1.00 0.00 H ATOM 1262 HB ILE A 90 10.861 10.327 2.842 1.00 0.00 H ATOM 1263 HG12 ILE A 90 12.280 11.376 5.368 1.00 0.00 H ATOM 1264 HG13 ILE A 90 13.088 10.724 3.923 1.00 0.00 H ATOM 1265 HD11 ILE A 90 12.197 12.645 2.556 1.00 0.00 H ATOM 1266 HD12 ILE A 90 11.389 13.298 4.002 1.00 0.00 H ATOM 1267 HD13 ILE A 90 13.167 13.235 3.928 1.00 0.00 H ATOM 1268 HG21 ILE A 90 8.759 10.473 4.019 1.00 0.00 H ATOM 1269 HG22 ILE A 90 9.572 11.288 5.378 1.00 0.00 H ATOM 1270 HG23 ILE A 90 9.516 12.066 3.777 1.00 0.00 H ATOM 1271 H ILE A 90 11.838 9.858 6.613 1.00 0.00 H ATOM 1272 N THR A 91 12.394 7.816 3.157 1.00 3.49 N ATOM 1273 CA THR A 91 13.605 7.132 2.763 1.00 3.24 C ATOM 1274 C THR A 91 13.933 7.192 1.225 1.00 3.11 C ATOM 1275 O THR A 91 12.952 7.365 0.468 1.00 3.08 O ATOM 1276 CB THR A 91 13.418 5.605 3.103 1.00 2.00 C ATOM 1277 OG1 THR A 91 14.623 4.864 2.766 1.00 3.03 O ATOM 1278 CG2 THR A 91 12.297 4.912 2.368 1.00 2.00 C ATOM 1279 HA THR A 91 14.417 7.629 3.294 1.00 0.00 H ATOM 1280 HB THR A 91 13.185 5.605 4.168 1.00 0.00 H ATOM 1281 HG1 THR A 91 15.385 5.221 3.287 1.00 0.00 H ATOM 1282 HG23 THR A 91 11.357 5.421 2.579 1.00 0.00 H ATOM 1283 HG21 THR A 91 12.495 4.940 1.296 1.00 0.00 H ATOM 1284 HG22 THR A 91 12.233 3.876 2.700 1.00 0.00 H ATOM 1285 H THR A 91 11.603 7.914 2.489 1.00 0.00 H ATOM 1286 N HIS A 92 15.185 7.099 0.957 1.00 5.25 N ATOM 1287 CA HIS A 92 15.579 7.071 -0.474 1.00 4.21 C ATOM 1288 C HIS A 92 15.370 5.639 -1.000 1.00 6.57 C ATOM 1289 O HIS A 92 15.311 5.402 -2.244 1.00 6.47 O ATOM 1290 CB HIS A 92 17.025 7.410 -0.498 1.00 6.51 C ATOM 1291 CG HIS A 92 17.331 8.902 -0.353 1.00 4.36 C ATOM 1292 ND1 HIS A 92 16.919 9.937 -1.057 1.00 6.85 N ATOM 1293 CD2 HIS A 92 18.258 9.352 0.565 1.00 6.60 C ATOM 1294 CE1 HIS A 92 17.563 10.992 -0.608 1.00 13.93 C ATOM 1295 NE2 HIS A 92 18.352 10.661 0.390 1.00 9.76 N ATOM 1296 HA HIS A 92 15.000 7.762 -1.087 1.00 0.00 H ATOM 1297 HB2 HIS A 92 17.512 6.881 0.321 1.00 0.00 H ATOM 1298 HB3 HIS A 92 17.439 7.068 -1.447 1.00 0.00 H ATOM 1299 HD2 HIS A 92 18.804 8.749 1.290 1.00 0.00 H ATOM 1300 HE1 HIS A 92 17.457 12.001 -1.008 1.00 0.00 H ATOM 1301 H HIS A 92 15.896 7.045 1.714 1.00 0.00 H ATOM 1302 N THR A 93 15.264 4.664 -0.127 1.00 2.11 N ATOM 1303 CA THR A 93 15.075 3.241 -0.538 1.00 2.00 C ATOM 1304 C THR A 93 13.797 3.102 -1.345 1.00 2.00 C ATOM 1305 O THR A 93 12.689 3.456 -0.933 1.00 2.96 O ATOM 1306 CB THR A 93 15.007 2.261 0.691 1.00 3.91 C ATOM 1307 OG1 THR A 93 16.281 2.314 1.283 1.00 6.46 O ATOM 1308 CG2 THR A 93 14.803 0.813 0.261 1.00 7.36 C ATOM 1309 HA THR A 93 15.943 2.968 -1.138 1.00 0.00 H ATOM 1310 HB THR A 93 14.182 2.554 1.340 1.00 0.00 H ATOM 1311 HG1 THR A 93 16.303 1.713 2.070 1.00 0.00 H ATOM 1312 HG23 THR A 93 13.825 0.709 -0.208 1.00 0.00 H ATOM 1313 HG21 THR A 93 15.580 0.534 -0.450 1.00 0.00 H ATOM 1314 HG22 THR A 93 14.859 0.164 1.135 1.00 0.00 H ATOM 1315 H THR A 93 15.313 4.891 0.887 1.00 0.00 H ATOM 1316 N GLY A 94 14.019 2.446 -2.551 1.00 3.82 N ATOM 1317 CA GLY A 94 12.825 2.252 -3.443 1.00 3.70 C ATOM 1318 C GLY A 94 12.437 3.528 -4.166 1.00 4.30 C ATOM 1319 O GLY A 94 11.364 3.564 -4.770 1.00 5.70 O ATOM 1320 HA3 GLY A 94 11.982 1.922 -2.835 1.00 0.00 H ATOM 1321 HA2 GLY A 94 13.060 1.486 -4.183 1.00 0.00 H ATOM 1322 H GLY A 94 14.964 2.107 -2.822 1.00 0.00 H ATOM 1323 N ALA A 95 13.169 4.604 -4.241 1.00 4.82 N ATOM 1324 CA ALA A 95 12.897 5.842 -4.904 1.00 6.91 C ATOM 1325 C ALA A 95 14.115 6.022 -5.848 1.00 8.03 C ATOM 1326 O ALA A 95 15.241 5.658 -5.519 1.00 7.83 O ATOM 1327 CB ALA A 95 12.797 7.088 -4.090 1.00 4.15 C ATOM 1328 HA ALA A 95 11.903 5.748 -5.342 1.00 0.00 H ATOM 1329 HB1 ALA A 95 11.992 6.982 -3.363 1.00 0.00 H ATOM 1330 HB2 ALA A 95 13.739 7.256 -3.568 1.00 0.00 H ATOM 1331 HB3 ALA A 95 12.587 7.933 -4.746 1.00 0.00 H ATOM 1332 H ALA A 95 14.083 4.555 -3.747 1.00 0.00 H ATOM 1333 N SER A 96 13.786 6.605 -7.008 1.00 8.29 N ATOM 1334 CA SER A 96 14.900 6.775 -7.968 1.00 8.56 C ATOM 1335 C SER A 96 15.837 7.905 -7.516 1.00 10.77 C ATOM 1336 O SER A 96 15.333 8.898 -6.967 1.00 8.20 O ATOM 1337 CB SER A 96 14.715 7.108 -9.454 1.00 20.61 C ATOM 1338 OG SER A 96 13.650 7.987 -9.608 1.00 24.91 O ATOM 1339 HA SER A 96 15.226 5.735 -7.936 1.00 0.00 H ATOM 1340 HB2 SER A 96 14.512 6.192 -10.008 1.00 0.00 H ATOM 1341 HB3 SER A 96 15.625 7.570 -9.838 1.00 0.00 H ATOM 1342 HG SER A 96 13.535 8.199 -10.568 1.00 0.00 H ATOM 1343 H SER A 96 12.816 6.916 -7.219 1.00 0.00 H ATOM 1344 N GLY A 97 17.076 7.631 -7.814 1.00 12.44 N ATOM 1345 CA GLY A 97 18.075 8.659 -7.459 1.00 16.47 C ATOM 1346 C GLY A 97 18.045 9.122 -5.966 1.00 16.52 C ATOM 1347 O GLY A 97 18.095 8.276 -5.065 1.00 16.84 O ATOM 1348 HA3 GLY A 97 17.900 9.532 -8.088 1.00 0.00 H ATOM 1349 HA2 GLY A 97 19.065 8.255 -7.668 1.00 0.00 H ATOM 1350 H GLY A 97 17.346 6.739 -8.276 1.00 0.00 H ATOM 1351 N ASN A 98 17.986 10.428 -5.881 1.00 16.34 N ATOM 1352 CA ASN A 98 17.978 11.086 -4.558 1.00 16.18 C ATOM 1353 C ASN A 98 16.577 11.470 -4.175 1.00 17.21 C ATOM 1354 O ASN A 98 16.397 12.336 -3.258 1.00 15.52 O ATOM 1355 CB ASN A 98 19.075 12.171 -4.551 1.00 20.78 C ATOM 1356 CG ASN A 98 18.703 13.292 -5.532 1.00 38.58 C ATOM 1357 OD1 ASN A 98 17.600 13.477 -6.117 1.00 37.85 O ATOM 1358 ND2 ASN A 98 19.752 14.113 -5.703 1.00 40.30 N ATOM 1359 HA ASN A 98 18.257 10.424 -3.738 1.00 0.00 H ATOM 1360 HB2 ASN A 98 19.169 12.585 -3.547 1.00 0.00 H ATOM 1361 HB3 ASN A 98 20.025 11.728 -4.850 1.00 0.00 H ATOM 1362 HD22 ASN A 98 20.645 13.927 -5.203 1.00 0.00 H ATOM 1363 HD21 ASN A 98 19.672 14.935 -6.335 1.00 0.00 H ATOM 1364 H ASN A 98 17.945 11.003 -6.747 1.00 0.00 H ATOM 1365 N ASN A 99 15.538 10.921 -4.772 1.00 12.67 N ATOM 1366 CA ASN A 99 14.156 11.220 -4.423 1.00 10.51 C ATOM 1367 C ASN A 99 13.794 10.343 -3.117 1.00 5.25 C ATOM 1368 O ASN A 99 14.729 9.626 -2.719 1.00 11.46 O ATOM 1369 CB ASN A 99 13.108 10.928 -5.466 1.00 10.07 C ATOM 1370 CG ASN A 99 13.472 11.855 -6.661 1.00 28.88 C ATOM 1371 OD1 ASN A 99 13.399 13.097 -6.514 1.00 25.49 O ATOM 1372 ND2 ASN A 99 13.877 11.265 -7.783 1.00 32.14 N ATOM 1373 HA ASN A 99 14.122 12.300 -4.282 1.00 0.00 H ATOM 1374 HB2 ASN A 99 13.145 9.881 -5.766 1.00 0.00 H ATOM 1375 HB3 ASN A 99 12.113 11.161 -5.087 1.00 0.00 H ATOM 1376 HD22 ASN A 99 13.915 10.227 -7.840 1.00 0.00 H ATOM 1377 HD21 ASN A 99 14.156 11.842 -8.602 1.00 0.00 H ATOM 1378 H ASN A 99 15.715 10.236 -5.535 1.00 0.00 H ATOM 1379 N PHE A 100 12.548 10.594 -2.730 1.00 4.67 N ATOM 1380 CA PHE A 100 12.151 9.775 -1.509 1.00 5.77 C ATOM 1381 C PHE A 100 10.813 9.204 -1.619 1.00 6.08 C ATOM 1382 O PHE A 100 9.860 9.630 -2.359 1.00 7.31 O ATOM 1383 CB PHE A 100 11.886 10.843 -0.391 1.00 2.02 C ATOM 1384 CG PHE A 100 13.109 11.446 0.186 1.00 3.86 C ATOM 1385 CD1 PHE A 100 13.959 10.808 1.090 1.00 11.34 C ATOM 1386 CD2 PHE A 100 13.393 12.742 -0.260 1.00 15.90 C ATOM 1387 CE1 PHE A 100 15.089 11.432 1.615 1.00 13.44 C ATOM 1388 CE2 PHE A 100 14.550 13.424 0.202 1.00 17.90 C ATOM 1389 CZ PHE A 100 15.316 12.756 1.115 1.00 9.68 C ATOM 1390 HA PHE A 100 12.913 9.011 -1.357 1.00 0.00 H ATOM 1391 HB2 PHE A 100 11.282 11.642 -0.820 1.00 0.00 H ATOM 1392 HB3 PHE A 100 11.331 10.362 0.414 1.00 0.00 H ATOM 1393 HD2 PHE A 100 12.722 13.231 -0.966 1.00 0.00 H ATOM 1394 HE2 PHE A 100 14.811 14.422 -0.151 1.00 0.00 H ATOM 1395 HZ PHE A 100 16.188 13.283 1.502 1.00 0.00 H ATOM 1396 HE1 PHE A 100 15.744 10.954 2.343 1.00 0.00 H ATOM 1397 HD1 PHE A 100 13.731 9.787 1.396 1.00 0.00 H ATOM 1398 H PHE A 100 11.917 11.271 -3.205 1.00 0.00 H ATOM 1399 N VAL A 101 10.465 8.250 -0.758 1.00 2.00 N ATOM 1400 CA VAL A 101 9.126 7.696 -0.597 1.00 3.17 C ATOM 1401 C VAL A 101 8.935 7.740 0.978 1.00 4.43 C ATOM 1402 O VAL A 101 9.944 7.823 1.761 1.00 4.84 O ATOM 1403 CB VAL A 101 8.879 6.205 -1.036 1.00 4.07 C ATOM 1404 CG1 VAL A 101 9.133 6.188 -2.597 1.00 14.14 C ATOM 1405 CG2 VAL A 101 9.819 5.141 -0.522 1.00 6.50 C ATOM 1406 HA VAL A 101 8.449 8.266 -1.234 1.00 0.00 H ATOM 1407 HB VAL A 101 7.890 5.961 -0.649 1.00 0.00 H ATOM 1408 HG11 VAL A 101 8.437 6.871 -3.084 1.00 0.00 H ATOM 1409 HG12 VAL A 101 10.156 6.503 -2.801 1.00 0.00 H ATOM 1410 HG13 VAL A 101 8.980 5.178 -2.978 1.00 0.00 H ATOM 1411 HG21 VAL A 101 10.834 5.365 -0.850 1.00 0.00 H ATOM 1412 HG22 VAL A 101 9.784 5.122 0.567 1.00 0.00 H ATOM 1413 HG23 VAL A 101 9.516 4.170 -0.914 1.00 0.00 H ATOM 1414 H VAL A 101 11.214 7.866 -0.147 1.00 0.00 H ATOM 1415 N GLU A 102 7.691 7.648 1.378 1.00 6.98 N ATOM 1416 CA GLU A 102 7.548 7.651 2.857 1.00 8.45 C ATOM 1417 C GLU A 102 7.672 6.241 3.428 1.00 6.91 C ATOM 1418 O GLU A 102 7.395 5.214 2.718 1.00 6.26 O ATOM 1419 CB GLU A 102 6.093 8.014 3.148 1.00 5.45 C ATOM 1420 CG GLU A 102 5.814 9.515 2.926 1.00 17.39 C ATOM 1421 CD GLU A 102 4.409 9.991 3.213 1.00 28.36 C ATOM 1422 OE1 GLU A 102 3.496 9.840 2.371 1.00 26.67 O ATOM 1423 OE2 GLU A 102 4.261 10.503 4.314 1.00 33.96 O ATOM 1424 HA GLU A 102 8.301 8.319 3.275 1.00 0.00 H ATOM 1425 HB2 GLU A 102 5.447 7.435 2.488 1.00 0.00 H ATOM 1426 HB3 GLU A 102 5.869 7.764 4.185 1.00 0.00 H ATOM 1427 HG2 GLU A 102 6.492 10.076 3.569 1.00 0.00 H ATOM 1428 HG3 GLU A 102 6.034 9.742 1.883 1.00 0.00 H ATOM 1429 H GLU A 102 6.884 7.580 0.726 1.00 0.00 H ATOM 1430 N CYS A 103 8.113 6.201 4.709 1.00 6.67 N ATOM 1431 CA CYS A 103 8.167 4.878 5.432 1.00 6.11 C ATOM 1432 C CYS A 103 6.728 4.574 5.820 1.00 9.64 C ATOM 1433 O CYS A 103 5.965 5.560 5.950 1.00 12.00 O ATOM 1434 CB CYS A 103 9.176 5.071 6.531 1.00 7.05 C ATOM 1435 SG CYS A 103 10.801 5.438 5.944 1.00 4.41 S ATOM 1436 HA CYS A 103 8.506 4.001 4.881 1.00 0.00 H ATOM 1437 HB2 CYS A 103 9.221 4.156 7.122 1.00 0.00 H ATOM 1438 HB3 CYS A 103 8.844 5.894 7.163 1.00 0.00 H ATOM 1439 H CYS A 103 8.411 7.074 5.189 1.00 0.00 H ATOM 1440 N THR A 104 6.471 3.285 5.952 1.00 9.69 N ATOM 1441 CA THR A 104 5.092 2.912 6.282 1.00 12.32 C ATOM 1442 C THR A 104 4.909 2.326 7.660 1.00 14.28 C ATOM 1443 O THR A 104 3.701 2.166 8.020 1.00 14.70 O ATOM 1444 CB THR A 104 4.718 1.879 5.150 1.00 15.85 C ATOM 1445 OG1 THR A 104 5.631 0.765 5.442 1.00 20.56 O ATOM 1446 CG2 THR A 104 4.822 2.418 3.709 1.00 28.94 C ATOM 1447 HA THR A 104 4.445 3.789 6.314 1.00 0.00 H ATOM 1448 OXT THR A 104 5.875 2.099 8.349 1.00 12.21 O ATOM 1449 HB THR A 104 3.665 1.599 5.171 1.00 0.00 H ATOM 1450 HG1 THR A 104 6.567 1.083 5.385 1.00 0.00 H ATOM 1451 HG23 THR A 104 4.116 3.238 3.577 1.00 0.00 H ATOM 1452 HG21 THR A 104 5.835 2.778 3.529 1.00 0.00 H ATOM 1453 HG22 THR A 104 4.589 1.619 3.006 1.00 0.00 H ATOM 1454 H THR A 104 7.213 2.567 5.827 1.00 0.00 H TER 1455 THR A 104 HETATM 1456 CA CA A 1 15.670 0.257 17.245 1.00 7.39 CA HETATM 1457 O HOH 2 1.488 11.614 1.995 1.00 22.51 O HETATM 1458 O HOH 3 3.039 15.228 9.922 1.00 16.46 O HETATM 1459 O HOH 4 3.947 11.845 8.239 1.00 32.83 O HETATM 1460 O HOH 5 4.481 20.698 2.191 1.00 31.45 O HETATM 1461 O HOH 6 4.706 6.994 7.810 1.00 37.65 O HETATM 1462 O HOH 7 5.256 7.698 -0.287 1.00 19.63 O HETATM 1463 O HOH 8 5.613 -0.133 9.877 1.00 14.80 O HETATM 1464 O HOH 9 5.597 -4.756 18.502 1.00 20.52 O HETATM 1465 O HOH 10 5.755 -2.540 20.022 1.00 20.10 O HETATM 1466 O HOH 11 6.180 4.069 0.460 1.00 35.21 O HETATM 1467 O HOH 12 6.140 9.097 7.813 1.00 20.66 O HETATM 1468 O HOH 13 6.082 18.201 -7.503 1.00 14.54 O HETATM 1469 O HOH 14 6.414 -4.969 11.559 1.00 14.36 O HETATM 1470 O HOH 15 6.361 8.325 16.368 1.00 35.02 O HETATM 1471 O HOH 16 6.778 15.671 17.462 1.00 27.86 O HETATM 1472 O HOH 17 7.378 -4.176 9.144 1.00 19.77 O HETATM 1473 O HOH 18 8.318 17.810 -9.213 1.00 23.49 O HETATM 1474 O HOH 19 8.255 -0.718 17.165 1.00 11.74 O HETATM 1475 O HOH 20 9.177 2.279 2.557 1.00 27.39 O HETATM 1476 O HOH 21 8.532 9.344 17.638 1.00 31.01 O HETATM 1477 O HOH 22 9.149 12.362 17.780 1.00 30.08 O HETATM 1478 O HOH 23 8.921 -1.720 2.704 1.00 26.00 O HETATM 1479 O HOH 24 8.380 8.843 -8.320 1.00 39.99 O HETATM 1480 O HOH 25 9.841 15.831 -1.245 1.00 22.93 O HETATM 1481 O HOH 26 9.963 24.199 1.926 1.00 27.52 O HETATM 1482 O HOH 27 10.840 1.753 0.335 1.00 9.31 O HETATM 1483 O HOH 28 11.371 23.442 4.007 1.00 15.14 O HETATM 1484 O HOH 29 11.971 14.195 19.884 1.00 32.90 O HETATM 1485 O HOH 30 13.513 -7.258 13.127 1.00 30.78 O HETATM 1486 O HOH 31 13.974 0.229 18.935 1.00 10.20 O HETATM 1487 O HOH 32 14.177 17.419 21.871 1.00 35.26 O HETATM 1488 O HOH 33 14.407 18.182 -0.325 1.00 15.74 O HETATM 1489 O HOH 34 14.565 -0.989 15.659 1.00 4.25 O HETATM 1490 O HOH 35 15.032 2.793 20.790 1.00 15.48 O HETATM 1491 O HOH 36 15.290 -2.863 0.573 1.00 12.36 O HETATM 1492 O HOH 37 15.074 -4.806 14.131 1.00 22.29 O HETATM 1493 O HOH 38 15.676 -1.961 18.282 1.00 9.80 O HETATM 1494 O HOH 39 15.801 15.116 -2.559 1.00 30.06 O HETATM 1495 O HOH 40 15.797 -3.275 11.038 1.00 28.17 O HETATM 1496 O HOH 41 16.196 -0.811 3.364 1.00 25.54 O HETATM 1497 O HOH 42 16.215 1.988 4.009 1.00 8.61 O HETATM 1498 O HOH 43 16.336 -0.929 12.099 1.00 27.68 O HETATM 1499 O HOH 44 16.442 18.429 21.144 1.00 20.32 O HETATM 1500 O HOH 45 16.529 5.220 21.267 1.00 25.57 O HETATM 1501 O HOH 46 16.908 1.216 15.427 1.00 7.79 O HETATM 1502 O HOH 47 16.946 20.775 22.259 1.00 26.64 O HETATM 1503 O HOH 48 16.769 17.065 0.033 1.00 43.77 O HETATM 1504 O HOH 49 17.285 3.935 14.931 1.00 8.96 O HETATM 1505 O HOH 50 17.429 0.587 18.894 1.00 11.98 O HETATM 1506 O HOH 51 17.881 -1.067 16.288 1.00 25.67 O HETATM 1507 O HOH 52 17.546 -1.680 -0.321 1.00 19.88 O HETATM 1508 O HOH 53 17.431 -7.238 10.437 1.00 41.35 O HETATM 1509 O HOH 54 17.537 6.409 16.457 1.00 7.57 O HETATM 1510 O HOH 55 17.848 -4.139 15.855 1.00 47.67 O HETATM 1511 O HOH 56 17.744 4.665 18.451 1.00 15.65 O HETATM 1512 O HOH 57 17.906 -3.833 9.067 1.00 23.49 O HETATM 1513 O HOH 58 18.298 15.444 -1.356 1.00 34.23 O HETATM 1514 O HOH 59 18.217 -1.348 20.719 1.00 29.30 O HETATM 1515 O HOH 60 19.686 -1.412 18.175 1.00 42.20 O HETATM 1516 O HOH 61 19.588 2.774 5.196 1.00 14.86 O HETATM 1517 O HOH 62 19.378 25.902 9.616 1.00 33.73 O HETATM 1518 O HOH 63 19.580 6.990 14.620 1.00 3.98 O HETATM 1519 O HOH 64 19.650 23.680 7.902 1.00 23.32 O HETATM 1520 O HOH 65 19.728 5.597 7.193 1.00 2.00 O HETATM 1521 O HOH 66 19.690 -4.128 12.442 1.00 16.92 O HETATM 1522 O HOH 67 19.751 22.932 10.594 1.00 16.00 O HETATM 1523 O HOH 68 19.226 2.275 20.449 1.00 36.75 O HETATM 1524 O HOH 69 20.278 2.928 8.021 1.00 9.21 O HETATM 1525 O HOH 70 20.346 9.732 14.101 1.00 3.69 O HETATM 1526 O HOH 71 20.185 23.406 4.632 1.00 23.40 O HETATM 1527 O HOH 72 20.517 14.412 22.245 1.00 31.28 O HETATM 1528 O HOH 73 20.450 26.235 12.321 1.00 16.48 O HETATM 1529 O HOH 74 20.524 -0.279 2.748 1.00 49.66 O HETATM 1530 O HOH 75 21.045 5.415 20.596 1.00 27.93 O HETATM 1531 O HOH 76 21.219 2.293 2.987 1.00 25.02 O HETATM 1532 O HOH 77 21.813 3.738 0.895 1.00 43.78 O HETATM 1533 O HOH 78 21.909 27.638 6.703 1.00 46.50 O HETATM 1534 O HOH 79 22.257 23.219 11.670 1.00 9.44 O HETATM 1535 O HOH 80 23.070 16.105 1.109 1.00 48.15 O HETATM 1536 O HOH 81 22.795 23.066 4.496 1.00 26.39 O HETATM 1537 O HOH 82 23.245 25.550 7.500 1.00 26.35 O HETATM 1538 O HOH 83 23.375 -0.865 17.729 1.00 37.06 O HETATM 1539 O HOH 84 23.401 25.279 10.155 1.00 30.29 O HETATM 1540 O HOH 85 23.814 18.969 1.638 1.00 37.02 O HETATM 1541 O HOH 86 23.652 3.019 21.284 1.00 64.26 O HETATM 1542 O HOH 87 24.395 6.438 2.195 1.00 22.08 O HETATM 1543 O HOH 88 24.432 4.314 -0.950 1.00 57.52 O HETATM 1544 O HOH 89 24.587 6.532 19.336 1.00 23.26 O HETATM 1545 O HOH 90 25.692 10.665 1.239 1.00 25.20 O HETATM 1546 O HOH 91 25.980 25.053 10.068 1.00 12.87 O HETATM 1547 O HOH 92 26.529 -0.462 13.161 1.00 23.60 O HETATM 1548 O HOH 93 26.844 12.808 5.114 1.00 12.20 O HETATM 1549 O HOH 94 27.258 7.658 12.228 1.00 15.88 O HETATM 1550 O HOH 95 27.235 6.007 10.109 1.00 25.62 O HETATM 1551 O HOH 96 27.967 11.221 3.223 1.00 23.77 O HETATM 1552 O HOH 97 30.145 11.573 5.832 1.00 14.34 O HETATM 1553 O HOH 98 22.645 12.205 -7.519 1.00 63.02 O HETATM 1554 O HOH 99 20.483 9.957 -10.589 1.00 50.72 O HETATM 1555 O HOH 100 4.449 10.137 12.135 1.00 53.63 O HETATM 1556 O HOH 101 14.961 5.655 -12.378 1.00 41.79 O HETATM 1557 O HOH 102 3.010 6.559 0.664 1.00 45.48 O HETATM 1558 O HOH 103 10.400 -5.345 4.833 1.00 38.28 O HETATM 1559 O HOH 104 17.201 12.294 -9.192 1.00 46.87 O HETATM 1560 O HOH 105 -2.644 15.768 7.125 1.00 42.55 O HETATM 1561 PA UNN A 106 19.667 13.828 1.377 1.00 0.20 P HETATM 1562 O1A UNN A 106 20.808 14.487 1.961 1.00 -0.55 O HETATM 1563 O2A UNN A 106 19.730 12.384 1.818 1.00 -0.55 O HETATM 1564 O3A UNN A 106 18.382 14.473 1.214 1.00 -0.55 O HETATM 1565 O2' UNN A 106 20.163 13.628 -0.188 1.00 -0.26 O HETATM 1566 C2' UNN A 106 21.483 13.452 -0.657 1.00 0.17 C HETATM 1567 C3' UNN A 106 21.852 14.606 -1.631 1.00 0.12 C HETATM 1568 C4' UNN A 106 22.847 13.772 -2.521 1.00 0.11 C HETATM 1569 C5' UNN A 106 24.232 14.379 -2.509 1.00 0.07 C HETATM 1570 O5' UNN A 106 24.901 13.985 -1.285 1.00 -0.39 O HETATM 1571 H1 UNN A 106 24.963 13.038 -1.250 1.00 0.21 H HETATM 1572 H2 UNN A 106 24.803 14.016 -3.376 1.00 0.06 H HETATM 1573 H3 UNN A 106 24.156 15.476 -2.553 1.00 0.06 H HETATM 1574 O4' UNN A 106 22.864 12.360 -2.088 1.00 -0.34 O HETATM 1575 C1' UNN A 106 21.604 12.145 -1.411 1.00 0.21 C HETATM 1576 N9 UNN A 106 21.751 10.903 -0.629 1.00 -0.19 N HETATM 1577 C8 UNN A 106 22.599 10.623 0.430 1.00 0.11 C HETATM 1578 N7 UNN A 106 22.632 9.342 0.756 1.00 -0.30 N HETATM 1579 C5 UNN A 106 21.721 8.757 -0.105 1.00 0.10 C HETATM 1580 C6 UNN A 106 21.336 7.384 -0.121 1.00 0.13 C HETATM 1581 N6 UNN A 106 21.648 6.534 0.752 1.00 -0.32 N HETATM 1582 H10 UNN A 106 21.325 5.560 0.661 1.00 0.18 H HETATM 1583 H11 UNN A 106 22.226 6.812 1.558 1.00 0.18 H HETATM 1584 N1 UNN A 106 20.541 7.093 -1.220 1.00 -0.27 N HETATM 1585 C2 UNN A 106 20.158 8.070 -2.125 1.00 0.05 C HETATM 1586 N3 UNN A 106 20.448 9.403 -2.090 1.00 -0.27 N HETATM 1587 C4 UNN A 106 21.380 9.644 -1.113 1.00 0.16 C HETATM 1588 H12 UNN A 106 19.555 7.735 -2.962 1.00 0.10 H HETATM 1589 H9 UNN A 106 23.183 11.385 0.945 1.00 0.13 H HETATM 1590 H8 UNN A 106 20.762 12.030 -2.109 1.00 0.10 H HETATM 1591 H4 UNN A 106 22.479 13.801 -3.557 1.00 0.06 H HETATM 1592 O3' UNN A 106 20.681 15.001 -2.377 1.00 -0.39 O HETATM 1593 H6 UNN A 106 20.102 15.501 -1.814 1.00 0.21 H HETATM 1594 H5 UNN A 106 22.319 15.473 -1.142 1.00 0.07 H HETATM 1595 H7 UNN A 106 22.175 13.451 0.198 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 1435 CONECT 117 18 116 CONECT 182 181 1456 CONECT 183 181 1456 CONECT 1435 75 1434 CONECT 1456 182 183 CONECT 1561 1562 1563 1564 1565 CONECT 1562 1561 CONECT 1563 1561 CONECT 1564 1561 CONECT 1565 1561 1566 CONECT 1566 1565 1567 1575 1595 CONECT 1567 1566 1568 1592 1594 CONECT 1568 1567 1569 1574 1591 CONECT 1569 1568 1570 1572 1573 CONECT 1570 1569 1571 CONECT 1571 1570 CONECT 1572 1569 CONECT 1573 1569 CONECT 1574 1568 1575 CONECT 1575 1566 1574 1576 1590 CONECT 1576 1575 1577 1587 CONECT 1577 1576 1578 1589 CONECT 1578 1577 1579 CONECT 1579 1578 1580 1587 CONECT 1580 1579 1581 1584 CONECT 1581 1580 1582 1583 CONECT 1582 1581 CONECT 1583 1581 CONECT 1584 1580 1585 CONECT 1585 1584 1586 1588 CONECT 1586 1585 1587 CONECT 1587 1576 1579 1586 CONECT 1588 1585 CONECT 1589 1577 CONECT 1590 1575 CONECT 1591 1568 CONECT 1592 1567 1593 CONECT 1593 1592 CONECT 1594 1567 CONECT 1595 1566 MASTER 0 0 0 0 0 0 0 0 1594 1 46 8 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 6rnt
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%
1rnt
RCSB PDB
PDBbind
104aa, >1RNT_1|Chain... at 99%
4odk
RCSB PDB
PDBbind
16aa, >4ODK_2|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1rgk
RCSB PDB
PDBbind
2AM
5ldm
RCSB PDB
PDBbind
2AM
Entry Information
PDB ID
6rnt
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease T1
Ligand Name
2AM
EC.Number
E.C.3.1.27.3
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=4.3mM
Release Year
1993
Protein/NA Sequence
Check fasta file
Primary Reference
J.Biol.Chem. v266 pp. 15128-34, 1991
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.16 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)OP(O)(O)O)n1cnc2c1ncnc2N
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/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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