Browse entries in the PDBbind-CN Database
HEADER 1DET_COMPLEX COMPND 1DET_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 57 ALA CYS ASP TYR THR CYS GLY SER ASN CYS TYR SER SER SEQRES 2 A 57 SER ASP VAL SER THR ALA GLN ALA ALA GLY TYR GLN LEU SEQRES 3 A 57 HIS GLU ASP GLY GLU THR VAL GLY SER ASN SER TYR PRO SEQRES 4 A 57 HIS LYS TYR ASN ASN TYR GLU GLY PHE ASP PHE SER VAL SEQRES 5 A 57 SER SER PRO TYR TYR SEQRES 1 A 46 TRP PRO ILE LEU SER SER GLY ASP VAL TYR SER GLY GLY SEQRES 2 A 46 SER PRO GLY ALA ASP ARG VAL VAL PHE ASN GLU ASN ASN SEQRES 3 A 46 GLN LEU ALA GLY VAL ILE THR HIS THR GLY ALA SER GLY SEQRES 4 A 46 ASN ASN PHE VAL GLU CYS THR HET UNN A 183 36 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 38.050 -38.774 29.045 1.00 73.30 N ATOM 2 CA ALA A 1 38.636 -40.082 28.615 1.00 72.57 C ATOM 3 C ALA A 1 37.675 -40.734 27.615 1.00 71.12 C ATOM 4 O ALA A 1 36.520 -41.175 27.881 1.00 72.01 O ATOM 5 CB ALA A 1 39.049 -40.952 29.793 1.00 74.05 C ATOM 6 HA ALA A 1 39.582 -39.926 28.097 1.00 0.00 H ATOM 7 HB1 ALA A 1 39.798 -40.427 30.386 1.00 0.00 H ATOM 8 HB2 ALA A 1 38.176 -41.162 30.411 1.00 0.00 H ATOM 9 HB3 ALA A 1 39.467 -41.888 29.423 1.00 0.00 H ATOM 10 HN3 ALA A 1 37.126 -38.940 29.493 1.00 0.00 H ATOM 11 HN2 ALA A 1 37.928 -38.160 28.214 1.00 0.00 H ATOM 12 HN1 ALA A 1 38.690 -38.316 29.725 1.00 0.00 H ATOM 13 N CYS A 2 38.210 -40.747 26.379 1.00 67.42 N ATOM 14 CA CYS A 2 37.470 -41.271 25.255 1.00 62.88 C ATOM 15 C CYS A 2 37.672 -42.747 24.970 1.00 60.91 C ATOM 16 O CYS A 2 38.761 -43.163 24.558 1.00 61.52 O ATOM 17 CB CYS A 2 37.786 -40.461 24.006 1.00 60.02 C ATOM 18 SG CYS A 2 37.610 -38.720 24.263 1.00 58.51 S ATOM 19 HA CYS A 2 36.422 -41.175 25.538 1.00 0.00 H ATOM 20 HB2 CYS A 2 37.107 -40.767 23.210 1.00 0.00 H ATOM 21 HB3 CYS A 2 38.813 -40.668 23.706 1.00 0.00 H ATOM 22 H CYS A 2 39.170 -40.374 26.232 1.00 0.00 H ATOM 23 N ASP A 3 36.541 -43.393 25.156 1.00 58.20 N ATOM 24 CA ASP A 3 36.404 -44.823 24.855 1.00 55.59 C ATOM 25 C ASP A 3 36.381 -44.905 23.336 1.00 53.27 C ATOM 26 O ASP A 3 37.085 -45.767 22.765 1.00 54.15 O ATOM 27 CB ASP A 3 35.210 -45.364 25.636 1.00 58.78 C ATOM 28 CG ASP A 3 35.682 -45.300 27.111 1.00 61.61 C ATOM 29 OD1 ASP A 3 35.608 -44.266 27.782 1.00 63.01 O ATOM 30 OD2 ASP A 3 36.237 -46.355 27.468 1.00 61.74 O ATOM 31 HA ASP A 3 37.215 -45.475 25.179 1.00 0.00 H ATOM 32 HB2 ASP A 3 34.329 -44.741 25.481 1.00 0.00 H ATOM 33 HB3 ASP A 3 34.985 -46.389 25.343 1.00 0.00 H ATOM 34 H ASP A 3 35.719 -42.875 25.527 1.00 0.00 H ATOM 35 N TYR A 4 35.661 -43.987 22.697 1.00 49.39 N ATOM 36 CA TYR A 4 35.575 -43.930 21.223 1.00 44.64 C ATOM 37 C TYR A 4 35.624 -42.466 20.821 1.00 42.57 C ATOM 38 O TYR A 4 34.920 -41.636 21.417 1.00 43.03 O ATOM 39 CB TYR A 4 34.274 -44.549 20.686 1.00 43.21 C ATOM 40 CG TYR A 4 34.026 -45.971 21.129 1.00 41.96 C ATOM 41 CD1 TYR A 4 33.344 -46.188 22.321 1.00 41.42 C ATOM 42 CD2 TYR A 4 34.479 -47.093 20.414 1.00 42.02 C ATOM 43 CE1 TYR A 4 33.100 -47.470 22.777 1.00 43.07 C ATOM 44 CE2 TYR A 4 34.221 -48.396 20.850 1.00 41.97 C ATOM 45 CZ TYR A 4 33.536 -48.580 22.040 1.00 42.71 C ATOM 46 OH TYR A 4 33.235 -49.793 22.611 1.00 43.95 O ATOM 47 HA TYR A 4 36.402 -44.502 20.803 1.00 0.00 H ATOM 48 HB3 TYR A 4 34.314 -44.534 19.597 1.00 0.00 H ATOM 49 HB2 TYR A 4 33.439 -43.936 21.026 1.00 0.00 H ATOM 50 HD2 TYR A 4 35.046 -46.943 19.495 1.00 0.00 H ATOM 51 HE2 TYR A 4 34.553 -49.253 20.264 1.00 0.00 H ATOM 52 HE1 TYR A 4 32.565 -47.619 23.715 1.00 0.00 H ATOM 53 HD1 TYR A 4 32.997 -45.335 22.904 1.00 0.00 H ATOM 54 HH TYR A 4 34.073 -50.285 22.799 1.00 0.00 H ATOM 55 H TYR A 4 35.139 -43.283 23.256 1.00 0.00 H ATOM 56 N THR A 5 36.433 -42.186 19.837 1.00 40.69 N ATOM 57 CA THR A 5 36.587 -40.825 19.315 1.00 38.53 C ATOM 58 C THR A 5 36.239 -40.848 17.830 1.00 36.33 C ATOM 59 O THR A 5 36.873 -41.548 17.031 1.00 36.31 O ATOM 60 CB THR A 5 38.025 -40.206 19.489 1.00 39.52 C ATOM 61 OG1 THR A 5 38.431 -40.403 20.874 1.00 41.36 O ATOM 62 CG2 THR A 5 38.118 -38.746 19.044 1.00 38.47 C ATOM 63 HA THR A 5 35.920 -40.191 19.899 1.00 0.00 H ATOM 64 HB THR A 5 38.718 -40.722 18.825 1.00 0.00 H ATOM 65 HG1 THR A 5 38.447 -41.372 21.077 1.00 0.00 H ATOM 66 HG23 THR A 5 37.803 -38.664 18.004 1.00 0.00 H ATOM 67 HG21 THR A 5 37.469 -38.134 19.671 1.00 0.00 H ATOM 68 HG22 THR A 5 39.148 -38.403 19.141 1.00 0.00 H ATOM 69 H THR A 5 36.988 -42.954 19.408 1.00 0.00 H ATOM 70 N CYS A 6 35.245 -40.067 17.575 1.00 35.13 N ATOM 71 CA CYS A 6 34.671 -39.873 16.226 1.00 33.91 C ATOM 72 C CYS A 6 34.949 -38.426 15.851 1.00 34.21 C ATOM 73 O CYS A 6 34.081 -37.615 16.226 1.00 33.88 O ATOM 74 CB CYS A 6 33.174 -40.100 16.238 1.00 29.91 C ATOM 75 SG CYS A 6 32.713 -41.745 16.770 1.00 29.44 S ATOM 76 HA CYS A 6 35.110 -40.577 15.519 1.00 0.00 H ATOM 77 HB2 CYS A 6 32.792 -39.942 15.230 1.00 0.00 H ATOM 78 HB3 CYS A 6 32.719 -39.377 16.915 1.00 0.00 H ATOM 79 H CYS A 6 34.821 -39.542 18.366 1.00 0.00 H ATOM 80 N GLY A 7 36.045 -38.230 15.157 1.00 36.13 N ATOM 81 CA GLY A 7 36.380 -36.791 14.792 1.00 38.94 C ATOM 82 C GLY A 7 36.797 -36.124 16.128 1.00 41.26 C ATOM 83 O GLY A 7 37.769 -36.574 16.799 1.00 41.39 O ATOM 84 HA3 GLY A 7 35.509 -36.290 14.369 1.00 0.00 H ATOM 85 HA2 GLY A 7 37.200 -36.758 14.075 1.00 0.00 H ATOM 86 H GLY A 7 36.656 -39.021 14.870 1.00 0.00 H ATOM 87 N SER A 8 36.006 -35.137 16.509 1.00 42.28 N ATOM 88 CA SER A 8 36.232 -34.432 17.776 1.00 43.77 C ATOM 89 C SER A 8 35.425 -34.980 18.932 1.00 43.91 C ATOM 90 O SER A 8 35.766 -34.641 20.085 1.00 45.49 O ATOM 91 CB SER A 8 35.872 -32.946 17.620 1.00 47.10 C ATOM 92 OG SER A 8 36.567 -32.507 16.423 1.00 51.67 O ATOM 93 HA SER A 8 37.288 -34.574 18.006 1.00 0.00 H ATOM 94 HB2 SER A 8 36.209 -32.378 18.487 1.00 0.00 H ATOM 95 HB3 SER A 8 34.795 -32.824 17.503 1.00 0.00 H ATOM 96 HG SER A 8 36.375 -31.549 16.264 1.00 0.00 H ATOM 97 H SER A 8 35.210 -34.855 15.901 1.00 0.00 H ATOM 98 N ASN A 9 34.417 -35.759 18.665 1.00 42.66 N ATOM 99 CA ASN A 9 33.565 -36.338 19.683 1.00 42.33 C ATOM 100 C ASN A 9 34.219 -37.469 20.461 1.00 42.60 C ATOM 101 O ASN A 9 34.821 -38.401 19.957 1.00 42.00 O ATOM 102 CB ASN A 9 32.239 -36.775 19.074 1.00 45.33 C ATOM 103 CG ASN A 9 31.688 -35.612 18.249 1.00 45.49 C ATOM 104 OD1 ASN A 9 31.930 -34.472 18.674 1.00 47.29 O ATOM 105 ND2 ASN A 9 31.051 -35.963 17.147 1.00 45.50 N ATOM 106 HA ASN A 9 33.381 -35.554 20.418 1.00 0.00 H ATOM 107 HB2 ASN A 9 32.395 -37.642 18.432 1.00 0.00 H ATOM 108 HB3 ASN A 9 31.536 -37.032 19.866 1.00 0.00 H ATOM 109 HD22 ASN A 9 30.923 -36.969 16.919 1.00 0.00 H ATOM 110 HD21 ASN A 9 30.678 -35.233 16.507 1.00 0.00 H ATOM 111 H ASN A 9 34.213 -35.977 17.669 1.00 0.00 H ATOM 112 N CYS A 10 33.974 -37.336 21.745 1.00 43.06 N ATOM 113 CA CYS A 10 34.421 -38.154 22.832 1.00 43.84 C ATOM 114 C CYS A 10 33.247 -38.959 23.394 1.00 42.16 C ATOM 115 O CYS A 10 32.326 -38.359 23.956 1.00 41.41 O ATOM 116 CB CYS A 10 35.014 -37.290 23.988 1.00 50.62 C ATOM 117 SG CYS A 10 35.887 -38.305 25.263 1.00 56.18 S ATOM 118 HA CYS A 10 35.195 -38.817 22.446 1.00 0.00 H ATOM 119 HB2 CYS A 10 34.201 -36.748 24.471 1.00 0.00 H ATOM 120 HB3 CYS A 10 35.722 -36.578 23.564 1.00 0.00 H ATOM 121 H CYS A 10 33.375 -36.528 22.007 1.00 0.00 H ATOM 122 N TYR A 11 33.374 -40.256 23.212 1.00 40.80 N ATOM 123 CA TYR A 11 32.355 -41.168 23.710 1.00 40.66 C ATOM 124 C TYR A 11 32.991 -42.145 24.697 1.00 41.37 C ATOM 125 O TYR A 11 34.091 -42.664 24.523 1.00 41.54 O ATOM 126 CB TYR A 11 31.603 -41.938 22.592 1.00 36.92 C ATOM 127 CG TYR A 11 30.860 -41.001 21.660 1.00 33.41 C ATOM 128 CD1 TYR A 11 29.774 -40.256 22.078 1.00 32.00 C ATOM 129 CD2 TYR A 11 31.288 -40.806 20.359 1.00 32.04 C ATOM 130 CE1 TYR A 11 29.134 -39.329 21.257 1.00 30.30 C ATOM 131 CE2 TYR A 11 30.636 -39.917 19.521 1.00 30.22 C ATOM 132 CZ TYR A 11 29.559 -39.187 19.953 1.00 29.57 C ATOM 133 OH TYR A 11 28.951 -38.353 19.067 1.00 28.30 O ATOM 134 HA TYR A 11 31.600 -40.560 24.208 1.00 0.00 H ATOM 135 HB3 TYR A 11 30.887 -42.618 23.053 1.00 0.00 H ATOM 136 HB2 TYR A 11 32.326 -42.512 22.012 1.00 0.00 H ATOM 137 HD2 TYR A 11 32.151 -41.360 19.988 1.00 0.00 H ATOM 138 HE2 TYR A 11 30.987 -39.795 18.496 1.00 0.00 H ATOM 139 HE1 TYR A 11 28.311 -38.726 21.640 1.00 0.00 H ATOM 140 HD1 TYR A 11 29.402 -40.399 23.093 1.00 0.00 H ATOM 141 HH TYR A 11 28.613 -38.879 18.299 1.00 0.00 H ATOM 142 H TYR A 11 34.205 -40.630 22.711 1.00 0.00 H ATOM 143 N SER A 12 32.228 -42.313 25.752 1.00 42.63 N ATOM 144 CA SER A 12 32.561 -43.301 26.799 1.00 44.21 C ATOM 145 C SER A 12 31.644 -44.471 26.363 1.00 45.67 C ATOM 146 O SER A 12 30.823 -44.297 25.408 1.00 46.02 O ATOM 147 CB SER A 12 32.265 -42.829 28.179 1.00 44.48 C ATOM 148 OG SER A 12 30.931 -42.701 28.592 1.00 43.95 O ATOM 149 HA SER A 12 33.622 -43.542 26.865 1.00 0.00 H ATOM 150 HB2 SER A 12 32.726 -41.847 28.285 1.00 0.00 H ATOM 151 HB3 SER A 12 32.744 -43.529 28.864 1.00 0.00 H ATOM 152 HG SER A 12 30.906 -42.379 29.528 1.00 0.00 H ATOM 153 H SER A 12 31.368 -41.737 25.853 1.00 0.00 H ATOM 154 N SER A 13 31.753 -45.577 27.038 1.00 46.30 N ATOM 155 CA SER A 13 30.838 -46.692 26.620 1.00 47.61 C ATOM 156 C SER A 13 29.543 -46.616 27.380 1.00 47.35 C ATOM 157 O SER A 13 28.585 -47.368 27.081 1.00 47.96 O ATOM 158 CB SER A 13 31.600 -47.982 26.801 1.00 50.08 C ATOM 159 OG SER A 13 32.386 -47.708 27.967 1.00 50.12 O ATOM 160 HA SER A 13 30.545 -46.620 25.573 1.00 0.00 H ATOM 161 HB2 SER A 13 32.232 -48.192 25.938 1.00 0.00 H ATOM 162 HB3 SER A 13 30.924 -48.821 26.968 1.00 0.00 H ATOM 163 HG SER A 13 32.938 -48.500 28.185 1.00 0.00 H ATOM 164 H SER A 13 32.432 -45.683 27.819 1.00 0.00 H ATOM 165 N SER A 14 29.443 -45.695 28.352 1.00 46.64 N ATOM 166 CA SER A 14 28.087 -45.609 29.024 1.00 45.64 C ATOM 167 C SER A 14 27.204 -44.865 27.991 1.00 42.80 C ATOM 168 O SER A 14 26.053 -45.182 27.697 1.00 41.87 O ATOM 169 CB SER A 14 28.130 -45.086 30.419 1.00 48.67 C ATOM 170 OG SER A 14 28.751 -43.819 30.620 1.00 52.24 O ATOM 171 HA SER A 14 27.644 -46.580 29.242 1.00 0.00 H ATOM 172 HB2 SER A 14 28.667 -45.815 31.026 1.00 0.00 H ATOM 173 HB3 SER A 14 27.102 -45.007 30.772 1.00 0.00 H ATOM 174 HG SER A 14 29.695 -43.865 30.325 1.00 0.00 H ATOM 175 H SER A 14 30.239 -45.084 28.624 1.00 0.00 H ATOM 176 N ASP A 15 27.867 -43.881 27.421 1.00 40.92 N ATOM 177 CA ASP A 15 27.401 -43.008 26.369 1.00 39.82 C ATOM 178 C ASP A 15 26.903 -43.876 25.196 1.00 38.27 C ATOM 179 O ASP A 15 25.907 -43.538 24.604 1.00 38.11 O ATOM 180 CB ASP A 15 28.593 -42.156 25.858 1.00 41.24 C ATOM 181 CG ASP A 15 28.601 -40.814 26.535 1.00 43.87 C ATOM 182 OD1 ASP A 15 27.771 -40.685 27.471 1.00 46.60 O ATOM 183 OD2 ASP A 15 29.323 -39.873 26.216 1.00 44.67 O ATOM 184 HA ASP A 15 26.604 -42.366 26.744 1.00 0.00 H ATOM 185 HB2 ASP A 15 29.526 -42.675 26.076 1.00 0.00 H ATOM 186 HB3 ASP A 15 28.500 -42.016 24.781 1.00 0.00 H ATOM 187 H ASP A 15 28.834 -43.714 27.766 1.00 0.00 H ATOM 188 N VAL A 16 27.685 -44.915 24.950 1.00 38.19 N ATOM 189 CA VAL A 16 27.460 -45.876 23.865 1.00 36.76 C ATOM 190 C VAL A 16 26.315 -46.798 24.239 1.00 36.11 C ATOM 191 O VAL A 16 25.410 -46.996 23.406 1.00 34.65 O ATOM 192 CB VAL A 16 28.745 -46.565 23.358 1.00 37.52 C ATOM 193 CG1 VAL A 16 28.480 -47.780 22.455 1.00 37.18 C ATOM 194 CG2 VAL A 16 29.663 -45.603 22.545 1.00 37.98 C ATOM 195 HA VAL A 16 27.147 -45.335 22.972 1.00 0.00 H ATOM 196 HB VAL A 16 29.235 -46.886 24.277 1.00 0.00 H ATOM 197 HG11 VAL A 16 27.909 -48.525 23.009 1.00 0.00 H ATOM 198 HG12 VAL A 16 27.914 -47.463 21.579 1.00 0.00 H ATOM 199 HG13 VAL A 16 29.430 -48.210 22.139 1.00 0.00 H ATOM 200 HG21 VAL A 16 29.119 -45.230 21.677 1.00 0.00 H ATOM 201 HG22 VAL A 16 29.960 -44.766 23.177 1.00 0.00 H ATOM 202 HG23 VAL A 16 30.551 -46.143 22.215 1.00 0.00 H ATOM 203 H VAL A 16 28.511 -45.059 25.565 1.00 0.00 H ATOM 204 N SER A 17 26.407 -47.262 25.492 1.00 36.14 N ATOM 205 CA SER A 17 25.421 -48.204 26.019 1.00 35.73 C ATOM 206 C SER A 17 24.015 -47.638 25.952 1.00 34.41 C ATOM 207 O SER A 17 23.092 -48.366 25.615 1.00 33.97 O ATOM 208 CB SER A 17 25.678 -48.650 27.438 1.00 36.98 C ATOM 209 OG SER A 17 26.904 -49.345 27.469 1.00 40.93 O ATOM 210 HA SER A 17 25.520 -49.076 25.372 1.00 0.00 H ATOM 211 HB2 SER A 17 24.874 -49.306 27.770 1.00 0.00 H ATOM 212 HB3 SER A 17 25.730 -47.781 28.094 1.00 0.00 H ATOM 213 HG SER A 17 27.630 -48.745 27.165 1.00 0.00 H ATOM 214 H SER A 17 27.191 -46.948 26.099 1.00 0.00 H ATOM 215 N THR A 18 23.941 -46.397 26.290 1.00 33.92 N ATOM 216 CA THR A 18 22.691 -45.634 26.300 1.00 33.46 C ATOM 217 C THR A 18 22.139 -45.404 24.921 1.00 31.90 C ATOM 218 O THR A 18 20.899 -45.527 24.722 1.00 32.53 O ATOM 219 CB THR A 18 22.980 -44.287 27.100 1.00 35.25 C ATOM 220 OG1 THR A 18 22.863 -44.718 28.489 1.00 39.52 O ATOM 221 CG2 THR A 18 22.151 -43.091 26.750 1.00 36.39 C ATOM 222 HA THR A 18 21.903 -46.198 26.798 1.00 0.00 H ATOM 223 HB THR A 18 23.957 -43.878 26.841 1.00 0.00 H ATOM 224 HG1 THR A 18 23.026 -43.947 29.088 1.00 0.00 H ATOM 225 HG23 THR A 18 22.300 -42.842 25.699 1.00 0.00 H ATOM 226 HG21 THR A 18 21.099 -43.316 26.926 1.00 0.00 H ATOM 227 HG22 THR A 18 22.452 -42.247 27.371 1.00 0.00 H ATOM 228 H THR A 18 24.816 -45.911 26.571 1.00 0.00 H ATOM 229 N ALA A 19 23.018 -45.088 23.969 1.00 30.15 N ATOM 230 CA ALA A 19 22.548 -44.817 22.594 1.00 28.46 C ATOM 231 C ALA A 19 21.976 -46.116 22.057 1.00 28.56 C ATOM 232 O ALA A 19 20.874 -46.218 21.545 1.00 28.97 O ATOM 233 CB ALA A 19 23.678 -44.350 21.705 1.00 27.06 C ATOM 234 HA ALA A 19 21.800 -44.024 22.607 1.00 0.00 H ATOM 235 HB1 ALA A 19 24.104 -43.433 22.112 1.00 0.00 H ATOM 236 HB2 ALA A 19 24.447 -45.121 21.662 1.00 0.00 H ATOM 237 HB3 ALA A 19 23.295 -44.161 20.702 1.00 0.00 H ATOM 238 H ALA A 19 24.032 -45.032 24.194 1.00 0.00 H ATOM 239 N GLN A 20 22.809 -47.137 22.289 1.00 29.29 N ATOM 240 CA GLN A 20 22.550 -48.503 21.834 1.00 29.57 C ATOM 241 C GLN A 20 21.209 -49.084 22.274 1.00 29.11 C ATOM 242 O GLN A 20 20.411 -49.732 21.575 1.00 28.19 O ATOM 243 CB GLN A 20 23.735 -49.421 22.219 1.00 31.50 C ATOM 244 CG GLN A 20 23.480 -50.878 21.804 1.00 33.04 C ATOM 245 CD GLN A 20 24.654 -51.752 22.098 1.00 33.88 C ATOM 246 OE1 GLN A 20 24.555 -52.960 22.129 1.00 37.35 O ATOM 247 NE2 GLN A 20 25.777 -51.156 22.378 1.00 34.82 N ATOM 248 HA GLN A 20 22.468 -48.452 20.748 1.00 0.00 H ATOM 249 HB2 GLN A 20 24.636 -49.064 21.721 1.00 0.00 H ATOM 250 HB3 GLN A 20 23.878 -49.380 23.299 1.00 0.00 H ATOM 251 HG2 GLN A 20 22.614 -51.254 22.349 1.00 0.00 H ATOM 252 HG3 GLN A 20 23.275 -50.910 20.734 1.00 0.00 H ATOM 253 HE22 GLN A 20 25.837 -50.118 22.345 1.00 0.00 H ATOM 254 HE21 GLN A 20 26.614 -51.718 22.635 1.00 0.00 H ATOM 255 H GLN A 20 23.684 -46.950 22.819 1.00 0.00 H ATOM 256 N ALA A 21 21.002 -48.880 23.578 1.00 28.86 N ATOM 257 CA ALA A 21 19.787 -49.393 24.213 1.00 28.78 C ATOM 258 C ALA A 21 18.577 -48.809 23.546 1.00 28.11 C ATOM 259 O ALA A 21 17.651 -49.574 23.274 1.00 29.50 O ATOM 260 CB ALA A 21 19.864 -49.043 25.692 1.00 32.00 C ATOM 261 HA ALA A 21 19.704 -50.475 24.109 1.00 0.00 H ATOM 262 HB1 ALA A 21 20.749 -49.507 26.128 1.00 0.00 H ATOM 263 HB2 ALA A 21 19.927 -47.961 25.805 1.00 0.00 H ATOM 264 HB3 ALA A 21 18.972 -49.411 26.198 1.00 0.00 H ATOM 265 H ALA A 21 21.703 -48.357 24.141 1.00 0.00 H ATOM 266 N ALA A 22 18.551 -47.527 23.251 1.00 28.45 N ATOM 267 CA ALA A 22 17.308 -46.993 22.627 1.00 28.18 C ATOM 268 C ALA A 22 17.051 -47.499 21.222 1.00 28.25 C ATOM 269 O ALA A 22 15.893 -47.751 20.814 1.00 28.01 O ATOM 270 CB ALA A 22 17.385 -45.466 22.656 1.00 31.02 C ATOM 271 HA ALA A 22 16.460 -47.356 23.207 1.00 0.00 H ATOM 272 HB1 ALA A 22 17.465 -45.127 23.689 1.00 0.00 H ATOM 273 HB2 ALA A 22 18.260 -45.137 22.096 1.00 0.00 H ATOM 274 HB3 ALA A 22 16.485 -45.049 22.204 1.00 0.00 H ATOM 275 H ALA A 22 19.366 -46.911 23.446 1.00 0.00 H ATOM 276 N GLY A 23 18.185 -47.581 20.466 1.00 26.69 N ATOM 277 CA GLY A 23 18.069 -48.030 19.063 1.00 24.61 C ATOM 278 C GLY A 23 17.581 -49.453 19.003 1.00 23.28 C ATOM 279 O GLY A 23 16.781 -49.745 18.119 1.00 24.23 O ATOM 280 HA3 GLY A 23 19.046 -47.965 18.583 1.00 0.00 H ATOM 281 HA2 GLY A 23 17.364 -47.386 18.537 1.00 0.00 H ATOM 282 H GLY A 23 19.111 -47.333 20.869 1.00 0.00 H ATOM 283 N TYR A 24 18.114 -50.271 19.894 1.00 24.21 N ATOM 284 CA TYR A 24 17.812 -51.696 20.010 1.00 23.70 C ATOM 285 C TYR A 24 16.361 -51.931 20.355 1.00 23.70 C ATOM 286 O TYR A 24 15.692 -52.764 19.751 1.00 24.96 O ATOM 287 CB TYR A 24 18.699 -52.406 21.048 1.00 27.50 C ATOM 288 CG TYR A 24 18.463 -53.900 20.858 1.00 29.25 C ATOM 289 CD1 TYR A 24 18.838 -54.595 19.725 1.00 30.54 C ATOM 290 CD2 TYR A 24 17.778 -54.595 21.859 1.00 32.10 C ATOM 291 CE1 TYR A 24 18.608 -55.984 19.588 1.00 31.80 C ATOM 292 CE2 TYR A 24 17.518 -55.969 21.766 1.00 32.56 C ATOM 293 CZ TYR A 24 17.946 -56.651 20.620 1.00 33.14 C ATOM 294 OH TYR A 24 17.674 -57.985 20.599 1.00 35.44 O ATOM 295 HA TYR A 24 18.024 -52.122 19.030 1.00 0.00 H ATOM 296 HB3 TYR A 24 18.417 -52.104 22.057 1.00 0.00 H ATOM 297 HB2 TYR A 24 19.748 -52.164 20.878 1.00 0.00 H ATOM 298 HD2 TYR A 24 17.435 -54.051 22.739 1.00 0.00 H ATOM 299 HE2 TYR A 24 16.996 -56.494 22.566 1.00 0.00 H ATOM 300 HE1 TYR A 24 18.939 -56.520 18.699 1.00 0.00 H ATOM 301 HD1 TYR A 24 19.326 -54.057 18.912 1.00 0.00 H ATOM 302 HH TYR A 24 18.013 -58.376 19.755 1.00 0.00 H ATOM 303 H TYR A 24 18.801 -49.870 20.564 1.00 0.00 H ATOM 304 N GLN A 25 15.861 -51.140 21.268 1.00 25.41 N ATOM 305 CA GLN A 25 14.450 -51.131 21.680 1.00 26.89 C ATOM 306 C GLN A 25 13.533 -50.843 20.507 1.00 26.05 C ATOM 307 O GLN A 25 12.508 -51.536 20.262 1.00 26.02 O ATOM 308 CB GLN A 25 14.281 -50.128 22.829 1.00 34.31 C ATOM 309 CG GLN A 25 12.960 -50.406 23.593 1.00 43.05 C ATOM 310 CD GLN A 25 12.631 -49.239 24.526 1.00 46.88 C ATOM 311 OE1 GLN A 25 13.516 -48.732 25.234 1.00 49.64 O ATOM 312 NE2 GLN A 25 11.364 -48.796 24.451 1.00 48.78 N ATOM 313 HA GLN A 25 14.161 -52.119 22.040 1.00 0.00 H ATOM 314 HB2 GLN A 25 15.122 -50.223 23.516 1.00 0.00 H ATOM 315 HB3 GLN A 25 14.257 -49.116 22.424 1.00 0.00 H ATOM 316 HG2 GLN A 25 12.149 -50.533 22.876 1.00 0.00 H ATOM 317 HG3 GLN A 25 13.069 -51.317 24.181 1.00 0.00 H ATOM 318 HE22 GLN A 25 10.681 -49.277 23.832 1.00 0.00 H ATOM 319 HE21 GLN A 25 11.067 -47.972 25.012 1.00 0.00 H ATOM 320 H GLN A 25 16.506 -50.471 21.735 1.00 0.00 H ATOM 321 N LEU A 26 13.818 -49.804 19.722 1.00 24.42 N ATOM 322 CA LEU A 26 13.000 -49.498 18.545 1.00 23.85 C ATOM 323 C LEU A 26 13.096 -50.565 17.442 1.00 23.32 C ATOM 324 O LEU A 26 12.141 -50.863 16.736 1.00 22.20 O ATOM 325 CB LEU A 26 13.374 -48.134 18.073 1.00 24.00 C ATOM 326 CG LEU A 26 12.713 -46.893 18.641 1.00 21.80 C ATOM 327 CD1 LEU A 26 13.433 -45.730 17.945 1.00 20.61 C ATOM 328 CD2 LEU A 26 11.243 -46.936 18.357 1.00 22.21 C ATOM 329 HA LEU A 26 11.946 -49.513 18.824 1.00 0.00 H ATOM 330 HB2 LEU A 26 14.443 -48.026 18.258 1.00 0.00 H ATOM 331 HB3 LEU A 26 13.189 -48.118 16.999 1.00 0.00 H ATOM 332 HG LEU A 26 12.794 -46.798 19.724 1.00 0.00 H ATOM 333 HD21 LEU A 26 11.083 -46.973 17.279 1.00 0.00 H ATOM 334 HD22 LEU A 26 10.811 -47.823 18.820 1.00 0.00 H ATOM 335 HD23 LEU A 26 10.769 -46.044 18.766 1.00 0.00 H ATOM 336 HD11 LEU A 26 14.497 -45.771 18.179 1.00 0.00 H ATOM 337 HD12 LEU A 26 13.294 -45.811 16.867 1.00 0.00 H ATOM 338 HD13 LEU A 26 13.018 -44.785 18.296 1.00 0.00 H ATOM 339 H LEU A 26 14.634 -49.201 19.948 1.00 0.00 H ATOM 340 N HIS A 27 14.264 -51.157 17.280 1.00 24.09 N ATOM 341 CA HIS A 27 14.513 -52.221 16.283 1.00 24.49 C ATOM 342 C HIS A 27 13.538 -53.380 16.506 1.00 24.65 C ATOM 343 O HIS A 27 12.859 -53.889 15.612 1.00 24.04 O ATOM 344 CB HIS A 27 16.015 -52.667 16.407 1.00 22.86 C ATOM 345 CG HIS A 27 16.204 -54.010 15.748 1.00 23.51 C ATOM 346 ND1 HIS A 27 15.969 -54.257 14.399 1.00 24.10 N ATOM 347 CD2 HIS A 27 16.516 -55.181 16.354 1.00 23.77 C ATOM 348 CE1 HIS A 27 16.189 -55.550 14.203 1.00 25.31 C ATOM 349 NE2 HIS A 27 16.490 -56.120 15.367 1.00 25.23 N ATOM 350 HA HIS A 27 14.343 -51.858 15.269 1.00 0.00 H ATOM 351 HB2 HIS A 27 16.653 -51.931 15.919 1.00 0.00 H ATOM 352 HB3 HIS A 27 16.286 -52.739 17.460 1.00 0.00 H ATOM 353 HD2 HIS A 27 16.741 -55.339 17.409 1.00 0.00 H ATOM 354 HE1 HIS A 27 16.132 -56.063 13.243 1.00 0.00 H ATOM 355 H HIS A 27 15.054 -50.859 17.887 1.00 0.00 H ATOM 356 N GLU A 28 13.492 -53.829 17.744 1.00 25.41 N ATOM 357 CA GLU A 28 12.670 -54.877 18.285 1.00 27.62 C ATOM 358 C GLU A 28 11.197 -54.614 18.093 1.00 26.86 C ATOM 359 O GLU A 28 10.520 -55.574 17.704 1.00 27.07 O ATOM 360 CB GLU A 28 12.911 -55.056 19.808 1.00 34.25 C ATOM 361 CG GLU A 28 14.203 -55.840 20.053 1.00 44.17 C ATOM 362 CD GLU A 28 14.310 -57.217 19.497 1.00 50.75 C ATOM 363 OE1 GLU A 28 13.279 -57.789 19.035 1.00 54.79 O ATOM 364 OE2 GLU A 28 15.351 -57.876 19.469 1.00 55.32 O ATOM 365 HA GLU A 28 12.955 -55.777 17.740 1.00 0.00 H ATOM 366 HB2 GLU A 28 12.990 -54.076 20.277 1.00 0.00 H ATOM 367 HB3 GLU A 28 12.072 -55.599 20.244 1.00 0.00 H ATOM 368 HG2 GLU A 28 15.020 -55.256 19.629 1.00 0.00 H ATOM 369 HG3 GLU A 28 14.334 -55.917 21.132 1.00 0.00 H ATOM 370 H GLU A 28 14.134 -53.365 18.418 1.00 0.00 H ATOM 371 N ASP A 29 10.786 -53.377 18.351 1.00 26.46 N ATOM 372 CA ASP A 29 9.403 -52.946 18.183 1.00 25.58 C ATOM 373 C ASP A 29 9.011 -52.877 16.722 1.00 24.68 C ATOM 374 O ASP A 29 7.795 -52.849 16.509 1.00 25.72 O ATOM 375 CB ASP A 29 9.051 -51.625 18.843 1.00 26.89 C ATOM 376 CG ASP A 29 9.296 -51.738 20.336 1.00 31.98 C ATOM 377 OD1 ASP A 29 9.171 -52.869 20.843 1.00 34.82 O ATOM 378 OD2 ASP A 29 9.624 -50.662 20.903 1.00 34.02 O ATOM 379 HA ASP A 29 8.833 -53.718 18.700 1.00 0.00 H ATOM 380 HB2 ASP A 29 9.674 -50.832 18.429 1.00 0.00 H ATOM 381 HB3 ASP A 29 8.002 -51.393 18.661 1.00 0.00 H ATOM 382 H ASP A 29 11.484 -52.683 18.689 1.00 0.00 H ATOM 383 N GLY A 30 9.881 -52.815 15.756 1.00 24.04 N ATOM 384 CA GLY A 30 9.458 -52.694 14.336 1.00 22.42 C ATOM 385 C GLY A 30 9.101 -51.235 14.011 1.00 22.78 C ATOM 386 O GLY A 30 8.331 -51.011 13.042 1.00 23.83 O ATOM 387 HA3 GLY A 30 8.586 -53.325 14.165 1.00 0.00 H ATOM 388 HA2 GLY A 30 10.273 -53.019 13.688 1.00 0.00 H ATOM 389 H GLY A 30 10.895 -52.851 15.983 1.00 0.00 H ATOM 390 N GLU A 31 9.624 -50.266 14.761 1.00 22.18 N ATOM 391 CA GLU A 31 9.442 -48.837 14.550 1.00 21.51 C ATOM 392 C GLU A 31 10.759 -48.121 14.319 1.00 20.81 C ATOM 393 O GLU A 31 11.857 -48.585 14.661 1.00 20.93 O ATOM 394 CB GLU A 31 8.744 -48.208 15.779 1.00 21.26 C ATOM 395 CG GLU A 31 7.325 -48.786 15.902 1.00 19.91 C ATOM 396 CD GLU A 31 6.554 -48.328 17.082 1.00 23.40 C ATOM 397 OE1 GLU A 31 7.171 -48.394 18.164 1.00 22.99 O ATOM 398 OE2 GLU A 31 5.423 -47.930 16.996 1.00 24.14 O ATOM 399 HA GLU A 31 8.827 -48.720 13.657 1.00 0.00 H ATOM 400 HB2 GLU A 31 9.312 -48.439 16.680 1.00 0.00 H ATOM 401 HB3 GLU A 31 8.688 -47.127 15.654 1.00 0.00 H ATOM 402 HG2 GLU A 31 6.769 -48.507 15.007 1.00 0.00 H ATOM 403 HG3 GLU A 31 7.407 -49.872 15.954 1.00 0.00 H ATOM 404 H GLU A 31 10.214 -50.556 15.567 1.00 0.00 H ATOM 405 N THR A 32 10.684 -46.952 13.726 1.00 20.63 N ATOM 406 CA THR A 32 11.849 -46.072 13.416 1.00 21.31 C ATOM 407 C THR A 32 11.477 -44.620 13.757 1.00 21.37 C ATOM 408 O THR A 32 10.285 -44.237 13.869 1.00 22.79 O ATOM 409 CB THR A 32 12.382 -46.266 11.925 1.00 19.41 C ATOM 410 OG1 THR A 32 11.254 -45.857 11.094 1.00 19.61 O ATOM 411 CG2 THR A 32 12.739 -47.670 11.417 1.00 18.22 C ATOM 412 HA THR A 32 12.697 -46.359 14.038 1.00 0.00 H ATOM 413 HB THR A 32 13.322 -45.715 11.888 1.00 0.00 H ATOM 414 HG1 THR A 32 11.026 -44.914 11.290 1.00 0.00 H ATOM 415 HG23 THR A 32 13.582 -48.058 11.988 1.00 0.00 H ATOM 416 HG21 THR A 32 11.880 -48.329 11.541 1.00 0.00 H ATOM 417 HG22 THR A 32 13.007 -47.616 10.362 1.00 0.00 H ATOM 418 H THR A 32 9.740 -46.613 13.451 1.00 0.00 H ATOM 419 N VAL A 33 12.408 -43.724 13.878 1.00 20.72 N ATOM 420 CA VAL A 33 12.150 -42.304 14.193 1.00 20.96 C ATOM 421 C VAL A 33 12.988 -41.443 13.286 1.00 22.00 C ATOM 422 O VAL A 33 14.067 -41.948 12.880 1.00 22.78 O ATOM 423 CB VAL A 33 12.568 -42.349 15.668 1.00 19.43 C ATOM 424 CG1 VAL A 33 13.932 -41.920 15.993 1.00 19.91 C ATOM 425 CG2 VAL A 33 11.407 -42.104 16.568 1.00 21.03 C ATOM 426 HA VAL A 33 11.153 -41.888 14.048 1.00 0.00 H ATOM 427 HB VAL A 33 12.824 -43.370 15.953 1.00 0.00 H ATOM 428 HG11 VAL A 33 14.646 -42.555 15.469 1.00 0.00 H ATOM 429 HG12 VAL A 33 14.069 -40.884 15.683 1.00 0.00 H ATOM 430 HG13 VAL A 33 14.091 -42.003 17.068 1.00 0.00 H ATOM 431 HG21 VAL A 33 10.986 -41.121 16.356 1.00 0.00 H ATOM 432 HG22 VAL A 33 10.650 -42.869 16.398 1.00 0.00 H ATOM 433 HG23 VAL A 33 11.739 -42.143 17.606 1.00 0.00 H ATOM 434 H VAL A 33 13.395 -44.024 13.745 1.00 0.00 H ATOM 435 N GLY A 34 12.539 -40.252 12.946 1.00 21.10 N ATOM 436 CA GLY A 34 13.359 -39.392 12.107 1.00 22.02 C ATOM 437 C GLY A 34 13.098 -39.549 10.634 1.00 23.14 C ATOM 438 O GLY A 34 12.565 -40.590 10.206 1.00 22.39 O ATOM 439 HA3 GLY A 34 14.407 -39.625 12.297 1.00 0.00 H ATOM 440 HA2 GLY A 34 13.163 -38.356 12.382 1.00 0.00 H ATOM 441 H GLY A 34 11.606 -39.930 13.275 1.00 0.00 H ATOM 442 N SER A 35 13.470 -38.519 9.864 1.00 24.32 N ATOM 443 CA SER A 35 13.199 -38.633 8.406 1.00 26.45 C ATOM 444 C SER A 35 14.014 -39.748 7.711 1.00 26.76 C ATOM 445 O SER A 35 13.637 -40.177 6.597 1.00 25.90 O ATOM 446 CB SER A 35 13.362 -37.282 7.712 1.00 26.67 C ATOM 447 OG SER A 35 14.653 -36.791 7.908 1.00 27.73 O ATOM 448 HA SER A 35 12.157 -38.939 8.308 1.00 0.00 H ATOM 449 HB2 SER A 35 12.642 -36.576 8.125 1.00 0.00 H ATOM 450 HB3 SER A 35 13.180 -37.402 6.644 1.00 0.00 H ATOM 451 HG SER A 35 14.745 -35.916 7.454 1.00 0.00 H ATOM 452 H SER A 35 13.928 -37.677 10.267 1.00 0.00 H ATOM 453 N ASN A 36 15.061 -40.196 8.401 1.00 27.55 N ATOM 454 CA ASN A 36 15.967 -41.226 7.964 1.00 27.54 C ATOM 455 C ASN A 36 15.652 -42.584 8.499 1.00 25.69 C ATOM 456 O ASN A 36 16.396 -43.501 8.131 1.00 24.99 O ATOM 457 CB ASN A 36 17.459 -40.868 8.110 1.00 34.79 C ATOM 458 CG ASN A 36 17.803 -40.063 6.830 1.00 40.48 C ATOM 459 OD1 ASN A 36 17.839 -38.832 6.876 1.00 41.92 O ATOM 460 ND2 ASN A 36 17.941 -40.826 5.712 1.00 44.26 N ATOM 461 HA ASN A 36 15.786 -41.280 6.891 1.00 0.00 H ATOM 462 HB2 ASN A 36 17.623 -40.261 9.001 1.00 0.00 H ATOM 463 HB3 ASN A 36 18.066 -41.771 8.170 1.00 0.00 H ATOM 464 HD22 ASN A 36 17.895 -41.863 5.781 1.00 0.00 H ATOM 465 HD21 ASN A 36 18.093 -40.373 4.788 1.00 0.00 H ATOM 466 H ASN A 36 15.239 -39.767 9.331 1.00 0.00 H ATOM 467 N SER A 37 14.585 -42.715 9.236 1.00 23.94 N ATOM 468 CA SER A 37 14.123 -43.958 9.796 1.00 20.76 C ATOM 469 C SER A 37 15.164 -44.817 10.440 1.00 19.98 C ATOM 470 O SER A 37 15.472 -45.908 9.924 1.00 20.81 O ATOM 471 CB SER A 37 13.455 -44.836 8.741 1.00 21.05 C ATOM 472 OG SER A 37 12.456 -44.012 8.223 1.00 24.33 O ATOM 473 HA SER A 37 13.434 -43.618 10.569 1.00 0.00 H ATOM 474 HB2 SER A 37 13.028 -45.732 9.192 1.00 0.00 H ATOM 475 HB3 SER A 37 14.165 -45.124 7.966 1.00 0.00 H ATOM 476 HG SER A 37 11.959 -44.500 7.520 1.00 0.00 H ATOM 477 H SER A 37 14.027 -41.860 9.434 1.00 0.00 H ATOM 478 N TYR A 38 15.636 -44.398 11.548 1.00 19.23 N ATOM 479 CA TYR A 38 16.621 -45.035 12.433 1.00 19.15 C ATOM 480 C TYR A 38 15.807 -45.805 13.488 1.00 20.72 C ATOM 481 O TYR A 38 14.754 -45.267 13.916 1.00 22.09 O ATOM 482 CB TYR A 38 17.549 -43.987 13.064 1.00 18.89 C ATOM 483 CG TYR A 38 18.597 -43.482 12.082 1.00 21.81 C ATOM 484 CD1 TYR A 38 19.696 -44.274 11.720 1.00 21.64 C ATOM 485 CD2 TYR A 38 18.461 -42.238 11.487 1.00 22.33 C ATOM 486 CE1 TYR A 38 20.654 -43.800 10.842 1.00 23.79 C ATOM 487 CE2 TYR A 38 19.389 -41.775 10.548 1.00 23.94 C ATOM 488 CZ TYR A 38 20.464 -42.565 10.224 1.00 24.18 C ATOM 489 OH TYR A 38 21.339 -42.067 9.307 1.00 27.80 O ATOM 490 HA TYR A 38 17.277 -45.714 11.888 1.00 0.00 H ATOM 491 HB3 TYR A 38 18.055 -44.435 13.919 1.00 0.00 H ATOM 492 HB2 TYR A 38 16.948 -43.143 13.401 1.00 0.00 H ATOM 493 HD2 TYR A 38 17.614 -41.607 11.756 1.00 0.00 H ATOM 494 HE2 TYR A 38 19.260 -40.799 10.080 1.00 0.00 H ATOM 495 HE1 TYR A 38 21.549 -44.387 10.635 1.00 0.00 H ATOM 496 HD1 TYR A 38 19.797 -45.276 12.136 1.00 0.00 H ATOM 497 HH TYR A 38 20.863 -41.900 8.455 1.00 0.00 H ATOM 498 H TYR A 38 15.274 -43.478 11.870 1.00 0.00 H ATOM 499 N PRO A 39 16.197 -47.012 13.872 1.00 20.90 N ATOM 500 CA PRO A 39 17.377 -47.732 13.378 1.00 20.97 C ATOM 501 C PRO A 39 17.055 -48.369 12.023 1.00 21.03 C ATOM 502 O PRO A 39 15.895 -48.541 11.669 1.00 22.03 O ATOM 503 CB PRO A 39 17.609 -48.853 14.401 1.00 20.31 C ATOM 504 CG PRO A 39 16.398 -48.882 15.265 1.00 19.57 C ATOM 505 CD PRO A 39 15.470 -47.768 14.888 1.00 19.56 C ATOM 506 HA PRO A 39 18.240 -47.076 13.260 1.00 0.00 H ATOM 507 HD3 PRO A 39 14.539 -48.163 14.482 1.00 0.00 H ATOM 508 HD2 PRO A 39 15.251 -47.140 15.752 1.00 0.00 H ATOM 509 HG3 PRO A 39 16.695 -48.767 16.307 1.00 0.00 H ATOM 510 HG2 PRO A 39 15.887 -49.836 15.138 1.00 0.00 H ATOM 511 HB2 PRO A 39 17.734 -49.809 13.893 1.00 0.00 H ATOM 512 HB3 PRO A 39 18.496 -48.642 14.999 1.00 0.00 H ATOM 513 N HIS A 40 18.091 -48.710 11.281 1.00 21.87 N ATOM 514 CA HIS A 40 17.982 -49.393 9.973 1.00 21.05 C ATOM 515 C HIS A 40 19.251 -50.205 9.740 1.00 22.25 C ATOM 516 O HIS A 40 20.303 -50.006 10.389 1.00 23.47 O ATOM 517 CB HIS A 40 17.611 -48.515 8.803 1.00 18.61 C ATOM 518 CG HIS A 40 18.510 -47.369 8.511 1.00 17.27 C ATOM 519 ND1 HIS A 40 18.104 -46.069 8.611 1.00 17.13 N ATOM 520 CD2 HIS A 40 19.789 -47.340 8.106 1.00 17.70 C ATOM 521 CE1 HIS A 40 19.076 -45.257 8.302 1.00 16.63 C ATOM 522 NE2 HIS A 40 20.078 -46.013 7.956 1.00 19.77 N ATOM 523 HA HIS A 40 17.121 -50.059 10.031 1.00 0.00 H ATOM 524 HB2 HIS A 40 17.581 -49.145 7.914 1.00 0.00 H ATOM 525 HB3 HIS A 40 16.616 -48.113 8.995 1.00 0.00 H ATOM 526 HD2 HIS A 40 20.452 -48.188 7.934 1.00 0.00 H ATOM 527 HE1 HIS A 40 19.054 -44.168 8.328 1.00 0.00 H ATOM 528 H HIS A 40 19.042 -48.485 11.637 1.00 0.00 H ATOM 529 N LYS A 41 19.146 -51.203 8.867 1.00 23.14 N ATOM 530 CA LYS A 41 20.242 -52.099 8.546 1.00 22.51 C ATOM 531 C LYS A 41 21.481 -51.352 8.100 1.00 20.85 C ATOM 532 O LYS A 41 21.468 -50.407 7.323 1.00 20.78 O ATOM 533 CB LYS A 41 19.803 -53.066 7.400 1.00 26.45 C ATOM 534 CG LYS A 41 20.472 -54.417 7.562 1.00 33.48 C ATOM 535 CD LYS A 41 20.021 -55.595 6.756 1.00 39.29 C ATOM 536 CE LYS A 41 21.068 -56.695 6.570 1.00 45.53 C ATOM 537 NZ LYS A 41 20.526 -58.129 6.505 1.00 48.84 N ATOM 538 HA LYS A 41 20.487 -52.652 9.453 1.00 0.00 H ATOM 539 HB2 LYS A 41 18.721 -53.195 7.433 1.00 0.00 H ATOM 540 HB3 LYS A 41 20.088 -52.637 6.439 1.00 0.00 H ATOM 541 HG2 LYS A 41 21.528 -54.271 7.336 1.00 0.00 H ATOM 542 HG3 LYS A 41 20.361 -54.696 8.610 1.00 0.00 H ATOM 543 HD2 LYS A 41 19.156 -56.033 7.253 1.00 0.00 H ATOM 544 HD3 LYS A 41 19.729 -55.237 5.769 1.00 0.00 H ATOM 545 HE2 LYS A 41 21.765 -56.638 7.406 1.00 0.00 H ATOM 546 HE3 LYS A 41 21.601 -56.496 5.640 1.00 0.00 H ATOM 547 HZ1 LYS A 41 20.026 -58.350 7.390 1.00 0.00 H ATOM 548 HZ2 LYS A 41 19.869 -58.214 5.703 1.00 0.00 H ATOM 549 HZ3 LYS A 41 21.317 -58.792 6.378 1.00 0.00 H ATOM 550 H LYS A 41 18.233 -51.349 8.391 1.00 0.00 H ATOM 551 N TYR A 42 22.604 -51.820 8.627 1.00 21.13 N ATOM 552 CA TYR A 42 23.941 -51.323 8.232 1.00 20.43 C ATOM 553 C TYR A 42 24.583 -52.501 7.448 1.00 20.32 C ATOM 554 O TYR A 42 24.779 -53.604 8.080 1.00 20.26 O ATOM 555 CB TYR A 42 24.804 -50.931 9.409 1.00 17.87 C ATOM 556 CG TYR A 42 26.118 -50.367 8.852 1.00 19.76 C ATOM 557 CD1 TYR A 42 26.255 -49.130 8.258 1.00 17.94 C ATOM 558 CD2 TYR A 42 27.215 -51.230 8.930 1.00 21.21 C ATOM 559 CE1 TYR A 42 27.526 -48.689 7.825 1.00 21.61 C ATOM 560 CE2 TYR A 42 28.473 -50.821 8.462 1.00 24.50 C ATOM 561 CZ TYR A 42 28.626 -49.542 7.914 1.00 23.33 C ATOM 562 OH TYR A 42 29.906 -49.274 7.487 1.00 26.24 O ATOM 563 HA TYR A 42 23.853 -50.411 7.641 1.00 0.00 H ATOM 564 HB3 TYR A 42 25.007 -51.804 10.029 1.00 0.00 H ATOM 565 HB2 TYR A 42 24.297 -50.173 10.006 1.00 0.00 H ATOM 566 HD2 TYR A 42 27.093 -52.226 9.356 1.00 0.00 H ATOM 567 HE2 TYR A 42 29.327 -51.496 8.525 1.00 0.00 H ATOM 568 HE1 TYR A 42 27.647 -47.683 7.422 1.00 0.00 H ATOM 569 HD1 TYR A 42 25.382 -48.492 8.122 1.00 0.00 H ATOM 570 HH TYR A 42 30.163 -49.927 6.789 1.00 0.00 H ATOM 571 H TYR A 42 22.543 -52.567 9.348 1.00 0.00 H ATOM 572 N ASN A 43 24.841 -52.261 6.187 1.00 20.13 N ATOM 573 CA ASN A 43 25.344 -53.330 5.306 1.00 21.29 C ATOM 574 C ASN A 43 26.797 -53.763 5.466 1.00 21.44 C ATOM 575 O ASN A 43 26.995 -54.935 5.081 1.00 22.47 O ATOM 576 CB ASN A 43 25.030 -53.134 3.846 1.00 21.95 C ATOM 577 CG ASN A 43 23.529 -53.112 3.543 1.00 24.12 C ATOM 578 OD1 ASN A 43 22.694 -53.816 4.150 1.00 23.54 O ATOM 579 ND2 ASN A 43 23.185 -52.206 2.641 1.00 24.56 N ATOM 580 HA ASN A 43 24.757 -54.162 5.694 1.00 0.00 H ATOM 581 HB2 ASN A 43 25.461 -52.186 3.524 1.00 0.00 H ATOM 582 HB3 ASN A 43 25.484 -53.949 3.282 1.00 0.00 H ATOM 583 HD22 ASN A 43 23.918 -51.644 2.162 1.00 0.00 H ATOM 584 HD21 ASN A 43 22.182 -52.056 2.411 1.00 0.00 H ATOM 585 H ASN A 43 24.689 -51.306 5.803 1.00 0.00 H ATOM 586 N ASN A 44 27.642 -52.911 5.967 1.00 19.64 N ATOM 587 CA ASN A 44 29.036 -53.187 6.074 1.00 18.62 C ATOM 588 C ASN A 44 29.675 -53.205 4.675 1.00 19.80 C ATOM 589 O ASN A 44 30.541 -54.048 4.364 1.00 20.51 O ATOM 590 CB ASN A 44 29.427 -54.412 6.884 1.00 18.97 C ATOM 591 CG ASN A 44 30.871 -54.276 7.357 1.00 18.60 C ATOM 592 OD1 ASN A 44 31.510 -53.216 7.210 1.00 19.92 O ATOM 593 ND2 ASN A 44 31.336 -55.302 7.987 1.00 20.88 N ATOM 594 HA ASN A 44 29.438 -52.366 6.668 1.00 0.00 H ATOM 595 HB2 ASN A 44 28.769 -54.500 7.748 1.00 0.00 H ATOM 596 HB3 ASN A 44 29.331 -55.303 6.263 1.00 0.00 H ATOM 597 HD22 ASN A 44 30.758 -56.162 8.079 1.00 0.00 H ATOM 598 HD21 ASN A 44 32.289 -55.269 8.402 1.00 0.00 H ATOM 599 H ASN A 44 27.287 -51.993 6.302 1.00 0.00 H ATOM 600 N TYR A 45 29.336 -52.251 3.865 1.00 20.33 N ATOM 601 CA TYR A 45 29.927 -52.095 2.542 1.00 20.30 C ATOM 602 C TYR A 45 31.395 -51.741 2.706 1.00 21.23 C ATOM 603 O TYR A 45 32.168 -52.080 1.833 1.00 22.03 O ATOM 604 CB TYR A 45 29.369 -50.960 1.697 1.00 21.38 C ATOM 605 CG TYR A 45 27.979 -51.147 1.180 1.00 20.53 C ATOM 606 CD1 TYR A 45 27.608 -52.354 0.559 1.00 21.89 C ATOM 607 CD2 TYR A 45 27.060 -50.108 1.376 1.00 20.32 C ATOM 608 CE1 TYR A 45 26.300 -52.529 0.070 1.00 23.83 C ATOM 609 CE2 TYR A 45 25.773 -50.267 0.884 1.00 21.13 C ATOM 610 CZ TYR A 45 25.405 -51.447 0.231 1.00 23.38 C ATOM 611 OH TYR A 45 24.139 -51.528 -0.224 1.00 23.50 O ATOM 612 HA TYR A 45 29.717 -53.041 2.043 1.00 0.00 H ATOM 613 HB3 TYR A 45 30.029 -50.828 0.839 1.00 0.00 H ATOM 614 HB2 TYR A 45 29.380 -50.055 2.305 1.00 0.00 H ATOM 615 HD2 TYR A 45 27.349 -49.198 1.902 1.00 0.00 H ATOM 616 HE2 TYR A 45 25.044 -49.466 1.007 1.00 0.00 H ATOM 617 HE1 TYR A 45 25.991 -53.457 -0.411 1.00 0.00 H ATOM 618 HD1 TYR A 45 28.337 -53.157 0.456 1.00 0.00 H ATOM 619 HH TYR A 45 23.977 -50.801 -0.877 1.00 0.00 H ATOM 620 H TYR A 45 28.613 -51.569 4.172 1.00 0.00 H ATOM 621 N GLU A 46 31.669 -51.056 3.791 1.00 21.50 N ATOM 622 CA GLU A 46 33.040 -50.609 4.091 1.00 21.93 C ATOM 623 C GLU A 46 33.925 -51.781 4.445 1.00 22.34 C ATOM 624 O GLU A 46 35.143 -51.667 4.380 1.00 24.56 O ATOM 625 CB GLU A 46 33.126 -49.562 5.208 1.00 21.93 C ATOM 626 CG GLU A 46 32.680 -48.143 4.927 1.00 22.62 C ATOM 627 CD GLU A 46 31.181 -47.940 4.758 1.00 23.29 C ATOM 628 OE1 GLU A 46 30.349 -48.790 5.046 1.00 23.75 O ATOM 629 OE2 GLU A 46 30.871 -46.820 4.324 1.00 23.97 O ATOM 630 HA GLU A 46 33.388 -50.131 3.176 1.00 0.00 H ATOM 631 HB2 GLU A 46 32.519 -49.929 6.036 1.00 0.00 H ATOM 632 HB3 GLU A 46 34.170 -49.512 5.518 1.00 0.00 H ATOM 633 HG2 GLU A 46 33.011 -47.518 5.756 1.00 0.00 H ATOM 634 HG3 GLU A 46 33.168 -47.815 4.009 1.00 0.00 H ATOM 635 H GLU A 46 30.902 -50.824 4.453 1.00 0.00 H ATOM 636 N GLY A 47 33.409 -52.867 4.880 1.00 22.52 N ATOM 637 CA GLY A 47 34.192 -54.053 5.209 1.00 24.14 C ATOM 638 C GLY A 47 34.940 -53.970 6.509 1.00 25.13 C ATOM 639 O GLY A 47 36.041 -54.479 6.599 1.00 25.12 O ATOM 640 HA3 GLY A 47 34.916 -54.215 4.410 1.00 0.00 H ATOM 641 HA2 GLY A 47 33.514 -54.905 5.261 1.00 0.00 H ATOM 642 H GLY A 47 32.377 -52.907 5.006 1.00 0.00 H ATOM 643 N PHE A 48 34.388 -53.349 7.527 1.00 26.14 N ATOM 644 CA PHE A 48 34.999 -53.248 8.861 1.00 27.08 C ATOM 645 C PHE A 48 34.944 -54.700 9.376 1.00 28.94 C ATOM 646 O PHE A 48 34.044 -55.468 9.008 1.00 29.78 O ATOM 647 CB PHE A 48 34.373 -52.260 9.847 1.00 21.85 C ATOM 648 CG PHE A 48 34.206 -50.866 9.324 1.00 21.37 C ATOM 649 CD1 PHE A 48 35.292 -50.096 9.003 1.00 20.53 C ATOM 650 CD2 PHE A 48 32.938 -50.319 9.125 1.00 20.74 C ATOM 651 CE1 PHE A 48 35.152 -48.825 8.500 1.00 21.10 C ATOM 652 CE2 PHE A 48 32.779 -49.059 8.655 1.00 21.52 C ATOM 653 CZ PHE A 48 33.915 -48.276 8.347 1.00 21.25 C ATOM 654 HA PHE A 48 36.000 -52.824 8.778 1.00 0.00 H ATOM 655 HB2 PHE A 48 33.389 -52.637 10.126 1.00 0.00 H ATOM 656 HB3 PHE A 48 35.008 -52.216 10.732 1.00 0.00 H ATOM 657 HD2 PHE A 48 32.057 -50.919 9.353 1.00 0.00 H ATOM 658 HE2 PHE A 48 31.778 -48.650 8.515 1.00 0.00 H ATOM 659 HZ PHE A 48 33.803 -47.251 7.993 1.00 0.00 H ATOM 660 HE1 PHE A 48 36.037 -48.252 8.222 1.00 0.00 H ATOM 661 HD1 PHE A 48 36.293 -50.502 9.150 1.00 0.00 H ATOM 662 H PHE A 48 33.461 -52.901 7.380 1.00 0.00 H ATOM 663 N ASP A 49 35.920 -54.942 10.188 1.00 30.97 N ATOM 664 CA ASP A 49 36.119 -56.236 10.870 1.00 34.62 C ATOM 665 C ASP A 49 35.525 -56.139 12.284 1.00 34.89 C ATOM 666 O ASP A 49 36.158 -55.813 13.327 1.00 35.87 O ATOM 667 CB ASP A 49 37.628 -56.524 10.814 1.00 39.58 C ATOM 668 CG ASP A 49 37.941 -58.003 10.962 1.00 43.59 C ATOM 669 OD1 ASP A 49 37.067 -58.905 10.987 1.00 45.38 O ATOM 670 OD2 ASP A 49 39.179 -58.215 11.047 1.00 47.55 O ATOM 671 HA ASP A 49 35.606 -57.075 10.400 1.00 0.00 H ATOM 672 HB2 ASP A 49 38.015 -56.178 9.856 1.00 0.00 H ATOM 673 HB3 ASP A 49 38.119 -55.980 11.621 1.00 0.00 H ATOM 674 H ASP A 49 36.605 -54.181 10.372 1.00 0.00 H ATOM 675 N PHE A 50 34.239 -56.382 12.280 1.00 34.23 N ATOM 676 CA PHE A 50 33.496 -56.285 13.572 1.00 35.39 C ATOM 677 C PHE A 50 33.613 -57.681 14.160 1.00 36.86 C ATOM 678 O PHE A 50 33.648 -58.660 13.373 1.00 38.67 O ATOM 679 CB PHE A 50 32.081 -55.775 13.423 1.00 30.58 C ATOM 680 CG PHE A 50 31.764 -54.455 12.841 1.00 26.34 C ATOM 681 CD1 PHE A 50 32.443 -53.306 13.221 1.00 26.51 C ATOM 682 CD2 PHE A 50 30.737 -54.343 11.883 1.00 26.92 C ATOM 683 CE1 PHE A 50 32.138 -52.065 12.691 1.00 27.32 C ATOM 684 CE2 PHE A 50 30.412 -53.102 11.316 1.00 26.52 C ATOM 685 CZ PHE A 50 31.108 -51.964 11.733 1.00 26.88 C ATOM 686 HA PHE A 50 33.916 -55.534 14.242 1.00 0.00 H ATOM 687 HB2 PHE A 50 31.559 -56.509 12.809 1.00 0.00 H ATOM 688 HB3 PHE A 50 31.654 -55.773 14.426 1.00 0.00 H ATOM 689 HD2 PHE A 50 30.187 -55.233 11.578 1.00 0.00 H ATOM 690 HE2 PHE A 50 29.629 -53.026 10.562 1.00 0.00 H ATOM 691 HZ PHE A 50 30.853 -50.991 11.314 1.00 0.00 H ATOM 692 HE1 PHE A 50 32.686 -51.178 13.009 1.00 0.00 H ATOM 693 HD1 PHE A 50 33.241 -53.384 13.960 1.00 0.00 H ATOM 694 H PHE A 50 33.747 -56.636 11.400 1.00 0.00 H ATOM 695 N SER A 51 33.662 -57.813 15.442 1.00 38.68 N ATOM 696 CA SER A 51 33.757 -59.262 15.872 1.00 41.65 C ATOM 697 C SER A 51 32.341 -59.805 15.827 1.00 43.02 C ATOM 698 O SER A 51 32.047 -60.887 15.191 1.00 45.91 O ATOM 699 CB SER A 51 34.549 -59.342 17.142 1.00 43.15 C ATOM 700 OG SER A 51 34.186 -58.191 17.921 1.00 47.98 O ATOM 701 HA SER A 51 34.326 -59.926 15.222 1.00 0.00 H ATOM 702 HB2 SER A 51 35.617 -59.327 16.922 1.00 0.00 H ATOM 703 HB3 SER A 51 34.303 -60.256 17.683 1.00 0.00 H ATOM 704 HG SER A 51 34.687 -58.200 18.775 1.00 0.00 H ATOM 705 H SER A 51 33.639 -57.013 16.107 1.00 0.00 H ATOM 706 N VAL A 52 31.413 -59.097 16.445 1.00 41.51 N ATOM 707 CA VAL A 52 29.969 -59.403 16.532 1.00 37.29 C ATOM 708 C VAL A 52 29.394 -59.888 15.229 1.00 35.47 C ATOM 709 O VAL A 52 29.700 -59.453 14.110 1.00 35.33 O ATOM 710 CB VAL A 52 29.419 -58.032 17.056 1.00 35.44 C ATOM 711 CG1 VAL A 52 28.237 -57.548 16.330 1.00 34.46 C ATOM 712 CG2 VAL A 52 29.342 -58.159 18.551 1.00 35.56 C ATOM 713 HA VAL A 52 29.702 -60.237 17.181 1.00 0.00 H ATOM 714 HB VAL A 52 30.087 -57.199 16.836 1.00 0.00 H ATOM 715 HG11 VAL A 52 28.488 -57.415 15.278 1.00 0.00 H ATOM 716 HG12 VAL A 52 27.431 -58.276 16.423 1.00 0.00 H ATOM 717 HG13 VAL A 52 27.918 -56.595 16.752 1.00 0.00 H ATOM 718 HG21 VAL A 52 28.671 -58.978 18.811 1.00 0.00 H ATOM 719 HG22 VAL A 52 30.336 -58.362 18.949 1.00 0.00 H ATOM 720 HG23 VAL A 52 28.963 -57.229 18.974 1.00 0.00 H ATOM 721 H VAL A 52 31.733 -58.230 16.922 1.00 0.00 H ATOM 722 N SER A 53 28.510 -60.829 15.304 1.00 34.54 N ATOM 723 CA SER A 53 27.785 -61.465 14.175 1.00 34.93 C ATOM 724 C SER A 53 26.842 -60.494 13.457 1.00 32.91 C ATOM 725 O SER A 53 26.388 -59.578 14.213 1.00 32.90 O ATOM 726 CB SER A 53 26.986 -62.588 14.904 1.00 38.53 C ATOM 727 OG SER A 53 27.139 -62.408 16.353 1.00 44.20 O ATOM 728 HA SER A 53 28.449 -61.820 13.387 1.00 0.00 H ATOM 729 HB2 SER A 53 27.374 -63.564 14.612 1.00 0.00 H ATOM 730 HB3 SER A 53 25.932 -62.523 14.635 1.00 0.00 H ATOM 731 HG SER A 53 26.635 -63.116 16.827 1.00 0.00 H ATOM 732 H SER A 53 28.283 -61.178 16.257 1.00 0.00 H ATOM 733 N SER A 54 26.540 -60.601 12.177 1.00 30.62 N ATOM 734 CA SER A 54 25.578 -59.689 11.499 1.00 30.69 C ATOM 735 C SER A 54 24.181 -60.316 11.644 1.00 30.91 C ATOM 736 O SER A 54 24.193 -61.480 12.153 1.00 32.65 O ATOM 737 CB SER A 54 25.963 -59.376 10.097 1.00 30.31 C ATOM 738 OG SER A 54 25.977 -60.554 9.314 1.00 36.51 O ATOM 739 HA SER A 54 25.582 -58.708 11.975 1.00 0.00 H ATOM 740 HB2 SER A 54 26.956 -58.927 10.089 1.00 0.00 H ATOM 741 HB3 SER A 54 25.245 -58.673 9.676 1.00 0.00 H ATOM 742 HG SER A 54 26.235 -60.328 8.385 1.00 0.00 H ATOM 743 H SER A 54 26.992 -61.353 11.619 1.00 0.00 H ATOM 744 N PRO A 55 23.007 -59.731 11.318 1.00 29.13 N ATOM 745 CA PRO A 55 22.806 -58.433 10.709 1.00 26.70 C ATOM 746 C PRO A 55 23.190 -57.311 11.651 1.00 25.07 C ATOM 747 O PRO A 55 23.168 -57.465 12.870 1.00 24.73 O ATOM 748 CB PRO A 55 21.349 -58.384 10.284 1.00 25.48 C ATOM 749 CG PRO A 55 20.684 -59.472 10.994 1.00 25.86 C ATOM 750 CD PRO A 55 21.723 -60.428 11.483 1.00 26.97 C ATOM 751 HA PRO A 55 23.451 -58.293 9.842 1.00 0.00 H ATOM 752 HD3 PRO A 55 21.553 -60.672 12.532 1.00 0.00 H ATOM 753 HD2 PRO A 55 21.707 -61.343 10.892 1.00 0.00 H ATOM 754 HG3 PRO A 55 19.999 -59.987 10.320 1.00 0.00 H ATOM 755 HG2 PRO A 55 20.126 -59.071 11.840 1.00 0.00 H ATOM 756 HB2 PRO A 55 20.906 -57.426 10.558 1.00 0.00 H ATOM 757 HB3 PRO A 55 21.264 -58.527 9.207 1.00 0.00 H ATOM 758 N TYR A 56 23.560 -56.211 11.002 1.00 24.24 N ATOM 759 CA TYR A 56 23.952 -55.021 11.774 1.00 22.59 C ATOM 760 C TYR A 56 22.868 -53.954 11.486 1.00 20.97 C ATOM 761 O TYR A 56 22.311 -53.963 10.416 1.00 18.98 O ATOM 762 CB TYR A 56 25.326 -54.476 11.361 1.00 23.49 C ATOM 763 CG TYR A 56 26.471 -55.458 11.514 1.00 23.61 C ATOM 764 CD1 TYR A 56 26.850 -55.962 12.749 1.00 24.06 C ATOM 765 CD2 TYR A 56 27.156 -55.890 10.387 1.00 23.73 C ATOM 766 CE1 TYR A 56 27.920 -56.878 12.878 1.00 24.76 C ATOM 767 CE2 TYR A 56 28.224 -56.781 10.494 1.00 23.60 C ATOM 768 CZ TYR A 56 28.597 -57.238 11.726 1.00 23.26 C ATOM 769 OH TYR A 56 29.608 -58.128 11.768 1.00 27.84 O ATOM 770 HA TYR A 56 24.029 -55.275 12.831 1.00 0.00 H ATOM 771 HB3 TYR A 56 25.543 -53.602 11.976 1.00 0.00 H ATOM 772 HB2 TYR A 56 25.272 -54.178 10.314 1.00 0.00 H ATOM 773 HD2 TYR A 56 26.855 -55.528 9.404 1.00 0.00 H ATOM 774 HE2 TYR A 56 28.757 -57.110 9.602 1.00 0.00 H ATOM 775 HE1 TYR A 56 28.201 -57.285 13.849 1.00 0.00 H ATOM 776 HD1 TYR A 56 26.311 -55.645 13.641 1.00 0.00 H ATOM 777 HH TYR A 56 29.784 -58.382 12.709 1.00 0.00 H ATOM 778 H TYR A 56 23.572 -56.192 9.962 1.00 0.00 H ATOM 779 N TYR A 57 22.732 -53.136 12.506 1.00 20.41 N ATOM 780 CA TYR A 57 21.772 -52.000 12.461 1.00 21.31 C ATOM 781 C TYR A 57 22.524 -50.763 12.931 1.00 20.05 C ATOM 782 O TYR A 57 23.409 -50.951 13.785 1.00 21.06 O ATOM 783 CB TYR A 57 20.556 -52.296 13.410 1.00 22.08 C ATOM 784 CG TYR A 57 19.848 -53.562 12.945 1.00 24.25 C ATOM 785 CD1 TYR A 57 19.002 -53.484 11.829 1.00 24.35 C ATOM 786 CD2 TYR A 57 20.078 -54.801 13.565 1.00 24.84 C ATOM 787 CE1 TYR A 57 18.406 -54.648 11.363 1.00 26.58 C ATOM 788 CE2 TYR A 57 19.473 -55.973 13.108 1.00 26.42 C ATOM 789 CZ TYR A 57 18.644 -55.863 12.001 1.00 26.97 C ATOM 790 OH TYR A 57 18.025 -56.975 11.525 1.00 31.54 O ATOM 791 HA TYR A 57 21.382 -51.851 11.454 1.00 0.00 H ATOM 792 HB3 TYR A 57 19.860 -51.458 13.381 1.00 0.00 H ATOM 793 HB2 TYR A 57 20.915 -52.434 14.430 1.00 0.00 H ATOM 794 HD2 TYR A 57 20.746 -54.849 14.425 1.00 0.00 H ATOM 795 HE2 TYR A 57 19.644 -56.931 13.599 1.00 0.00 H ATOM 796 HE1 TYR A 57 17.749 -54.611 10.494 1.00 0.00 H ATOM 797 HD1 TYR A 57 18.816 -52.529 11.338 1.00 0.00 H ATOM 798 HH TYR A 57 17.446 -57.357 12.231 1.00 0.00 H ATOM 799 H TYR A 57 23.306 -53.286 13.360 1.00 0.00 H TER 800 TYR A 57 ATOM 801 N TRP A 59 22.294 -46.706 14.469 1.00 21.18 N ATOM 802 CA TRP A 59 21.481 -45.758 15.269 1.00 20.67 C ATOM 803 C TRP A 59 22.344 -44.550 15.551 1.00 21.35 C ATOM 804 O TRP A 59 23.486 -44.777 16.001 1.00 23.17 O ATOM 805 CB TRP A 59 21.024 -46.515 16.526 1.00 18.20 C ATOM 806 CG TRP A 59 20.293 -45.696 17.521 1.00 20.09 C ATOM 807 CD1 TRP A 59 20.835 -45.256 18.725 1.00 22.33 C ATOM 808 CD2 TRP A 59 18.982 -45.112 17.435 1.00 19.43 C ATOM 809 NE1 TRP A 59 19.891 -44.485 19.401 1.00 23.31 N ATOM 810 CE2 TRP A 59 18.760 -44.373 18.646 1.00 20.60 C ATOM 811 CE3 TRP A 59 17.958 -45.172 16.514 1.00 19.01 C ATOM 812 CZ2 TRP A 59 17.592 -43.694 18.920 1.00 19.18 C ATOM 813 CZ3 TRP A 59 16.733 -44.511 16.776 1.00 19.93 C ATOM 814 CH2 TRP A 59 16.577 -43.771 17.948 1.00 21.23 C ATOM 815 HA TRP A 59 20.586 -45.396 14.763 1.00 0.00 H ATOM 816 HB2 TRP A 59 20.370 -47.328 16.212 1.00 0.00 H ATOM 817 HB3 TRP A 59 21.908 -46.928 17.012 1.00 0.00 H ATOM 818 HE1 TRP A 59 20.028 -44.059 20.340 1.00 0.00 H ATOM 819 HD1 TRP A 59 21.840 -45.479 19.083 1.00 0.00 H ATOM 820 HZ2 TRP A 59 17.461 -43.127 19.842 1.00 0.00 H ATOM 821 HH2 TRP A 59 15.642 -43.237 18.116 1.00 0.00 H ATOM 822 HZ3 TRP A 59 15.912 -44.581 16.062 1.00 0.00 H ATOM 823 HE3 TRP A 59 18.091 -45.727 15.586 1.00 0.00 H ATOM 824 HN3 TRP A 59 23.139 -46.979 15.011 1.00 0.00 H ATOM 825 HN2 TRP A 59 22.583 -46.249 13.581 1.00 0.00 H ATOM 826 HN1 TRP A 59 21.728 -47.552 14.256 1.00 0.00 H ATOM 827 N PRO A 60 21.924 -43.303 15.363 1.00 20.76 N ATOM 828 CA PRO A 60 22.790 -42.159 15.640 1.00 21.57 C ATOM 829 C PRO A 60 23.225 -42.029 17.102 1.00 23.37 C ATOM 830 O PRO A 60 22.390 -42.292 18.013 1.00 25.09 O ATOM 831 CB PRO A 60 21.927 -40.972 15.206 1.00 20.05 C ATOM 832 CG PRO A 60 20.883 -41.528 14.275 1.00 18.80 C ATOM 833 CD PRO A 60 20.608 -42.894 14.854 1.00 20.34 C ATOM 834 HA PRO A 60 23.741 -42.244 15.115 1.00 0.00 H ATOM 835 HD3 PRO A 60 19.875 -42.839 15.659 1.00 0.00 H ATOM 836 HD2 PRO A 60 20.252 -43.582 14.087 1.00 0.00 H ATOM 837 HG3 PRO A 60 21.265 -41.603 13.257 1.00 0.00 H ATOM 838 HG2 PRO A 60 19.984 -40.911 14.280 1.00 0.00 H ATOM 839 HB2 PRO A 60 21.453 -40.512 16.073 1.00 0.00 H ATOM 840 HB3 PRO A 60 22.537 -40.230 14.690 1.00 0.00 H ATOM 841 N ILE A 61 24.440 -41.662 17.377 1.00 22.68 N ATOM 842 CA ILE A 61 25.057 -41.366 18.678 1.00 24.24 C ATOM 843 C ILE A 61 25.316 -39.843 18.631 1.00 26.49 C ATOM 844 O ILE A 61 25.879 -39.415 17.620 1.00 27.41 O ATOM 845 CB ILE A 61 26.246 -42.234 19.123 1.00 19.96 C ATOM 846 CG1 ILE A 61 26.509 -41.913 20.621 1.00 21.44 C ATOM 847 CG2 ILE A 61 27.497 -42.071 18.245 1.00 20.65 C ATOM 848 CD1 ILE A 61 27.450 -42.930 21.303 1.00 20.03 C ATOM 849 HA ILE A 61 24.384 -41.650 19.487 1.00 0.00 H ATOM 850 HB ILE A 61 25.994 -43.287 18.999 1.00 0.00 H ATOM 851 HG12 ILE A 61 26.960 -40.923 20.690 1.00 0.00 H ATOM 852 HG13 ILE A 61 25.555 -41.914 21.149 1.00 0.00 H ATOM 853 HD11 ILE A 61 27.007 -43.925 21.251 1.00 0.00 H ATOM 854 HD12 ILE A 61 28.413 -42.932 20.791 1.00 0.00 H ATOM 855 HD13 ILE A 61 27.592 -42.648 22.346 1.00 0.00 H ATOM 856 HG21 ILE A 61 27.258 -42.350 17.219 1.00 0.00 H ATOM 857 HG22 ILE A 61 27.826 -41.032 18.273 1.00 0.00 H ATOM 858 HG23 ILE A 61 28.291 -42.715 18.623 1.00 0.00 H ATOM 859 H ILE A 61 25.070 -41.563 16.555 1.00 0.00 H ATOM 860 N LEU A 62 24.811 -39.102 19.596 1.00 28.99 N ATOM 861 CA LEU A 62 24.820 -37.641 19.653 1.00 32.26 C ATOM 862 C LEU A 62 25.958 -37.037 20.424 1.00 34.25 C ATOM 863 O LEU A 62 26.137 -37.405 21.574 1.00 34.18 O ATOM 864 CB LEU A 62 23.439 -37.173 20.108 1.00 31.09 C ATOM 865 CG LEU A 62 22.175 -37.308 19.310 1.00 31.32 C ATOM 866 CD1 LEU A 62 21.147 -36.230 19.620 1.00 28.12 C ATOM 867 CD2 LEU A 62 22.397 -37.243 17.787 1.00 30.24 C ATOM 868 HA LEU A 62 25.018 -37.264 18.650 1.00 0.00 H ATOM 869 HB2 LEU A 62 23.249 -37.698 21.044 1.00 0.00 H ATOM 870 HB3 LEU A 62 23.545 -36.106 20.306 1.00 0.00 H ATOM 871 HG LEU A 62 21.811 -38.292 19.606 1.00 0.00 H ATOM 872 HD21 LEU A 62 22.846 -36.284 17.527 1.00 0.00 H ATOM 873 HD22 LEU A 62 23.062 -38.051 17.483 1.00 0.00 H ATOM 874 HD23 LEU A 62 21.439 -37.348 17.277 1.00 0.00 H ATOM 875 HD11 LEU A 62 20.876 -36.281 20.675 1.00 0.00 H ATOM 876 HD12 LEU A 62 21.571 -35.251 19.399 1.00 0.00 H ATOM 877 HD13 LEU A 62 20.259 -36.389 19.008 1.00 0.00 H ATOM 878 H LEU A 62 24.365 -39.603 20.391 1.00 0.00 H ATOM 879 N SER A 63 26.683 -36.126 19.777 1.00 37.35 N ATOM 880 CA SER A 63 27.846 -35.516 20.470 1.00 41.65 C ATOM 881 C SER A 63 27.324 -34.810 21.730 1.00 44.33 C ATOM 882 O SER A 63 28.063 -34.798 22.742 1.00 46.05 O ATOM 883 CB SER A 63 28.695 -34.553 19.692 1.00 42.20 C ATOM 884 OG SER A 63 27.956 -33.419 19.234 1.00 44.58 O ATOM 885 HA SER A 63 28.519 -36.350 20.669 1.00 0.00 H ATOM 886 HB2 SER A 63 29.111 -35.072 18.828 1.00 0.00 H ATOM 887 HB3 SER A 63 29.507 -34.207 20.332 1.00 0.00 H ATOM 888 HG SER A 63 28.558 -32.817 18.729 1.00 0.00 H ATOM 889 H SER A 63 26.439 -35.847 18.805 1.00 0.00 H ATOM 890 N SER A 64 26.115 -34.292 21.615 1.00 46.14 N ATOM 891 CA SER A 64 25.420 -33.625 22.728 1.00 47.92 C ATOM 892 C SER A 64 25.209 -34.474 23.978 1.00 49.37 C ATOM 893 O SER A 64 24.874 -33.898 25.068 1.00 50.69 O ATOM 894 CB SER A 64 24.066 -33.124 22.191 1.00 47.84 C ATOM 895 OG SER A 64 23.127 -34.161 22.462 1.00 48.33 O ATOM 896 HA SER A 64 26.066 -32.814 23.066 1.00 0.00 H ATOM 897 HB2 SER A 64 24.128 -32.940 21.118 1.00 0.00 H ATOM 898 HB3 SER A 64 23.773 -32.205 22.699 1.00 0.00 H ATOM 899 HG SER A 64 23.087 -34.322 23.438 1.00 0.00 H ATOM 900 H SER A 64 25.632 -34.358 20.696 1.00 0.00 H ATOM 901 N GLY A 65 25.391 -35.791 23.970 1.00 49.32 N ATOM 902 CA GLY A 65 25.210 -36.625 25.174 1.00 49.12 C ATOM 903 C GLY A 65 23.773 -37.172 25.217 1.00 49.57 C ATOM 904 O GLY A 65 23.433 -38.178 25.889 1.00 50.06 O ATOM 905 HA3 GLY A 65 25.395 -36.022 26.063 1.00 0.00 H ATOM 906 HA2 GLY A 65 25.914 -37.457 25.148 1.00 0.00 H ATOM 907 H GLY A 65 25.672 -36.251 23.081 1.00 0.00 H ATOM 908 N ASP A 66 22.956 -36.488 24.440 1.00 48.93 N ATOM 909 CA ASP A 66 21.545 -36.753 24.265 1.00 48.10 C ATOM 910 C ASP A 66 21.331 -37.990 23.387 1.00 46.21 C ATOM 911 O ASP A 66 22.059 -38.174 22.393 1.00 47.10 O ATOM 912 CB ASP A 66 20.945 -35.535 23.559 1.00 53.44 C ATOM 913 CG ASP A 66 19.742 -34.896 24.187 1.00 57.90 C ATOM 914 OD1 ASP A 66 19.151 -35.481 25.132 1.00 60.31 O ATOM 915 OD2 ASP A 66 19.358 -33.786 23.735 1.00 59.35 O ATOM 916 HA ASP A 66 21.075 -36.935 25.232 1.00 0.00 H ATOM 917 HB2 ASP A 66 21.724 -34.775 23.498 1.00 0.00 H ATOM 918 HB3 ASP A 66 20.663 -35.846 22.553 1.00 0.00 H ATOM 919 H ASP A 66 23.360 -35.691 23.908 1.00 0.00 H ATOM 920 N VAL A 67 20.322 -38.752 23.761 1.00 43.76 N ATOM 921 CA VAL A 67 19.891 -39.961 23.015 1.00 40.74 C ATOM 922 C VAL A 67 19.148 -39.451 21.767 1.00 38.84 C ATOM 923 O VAL A 67 18.351 -38.500 21.928 1.00 39.92 O ATOM 924 CB VAL A 67 19.082 -40.929 23.885 1.00 38.73 C ATOM 925 CG1 VAL A 67 18.456 -42.042 23.060 1.00 38.27 C ATOM 926 CG2 VAL A 67 19.940 -41.596 24.958 1.00 38.77 C ATOM 927 HA VAL A 67 20.742 -40.569 22.708 1.00 0.00 H ATOM 928 HB VAL A 67 18.309 -40.317 24.350 1.00 0.00 H ATOM 929 HG11 VAL A 67 17.787 -41.609 22.316 1.00 0.00 H ATOM 930 HG12 VAL A 67 19.242 -42.607 22.559 1.00 0.00 H ATOM 931 HG13 VAL A 67 17.892 -42.705 23.716 1.00 0.00 H ATOM 932 HG21 VAL A 67 20.743 -42.159 24.482 1.00 0.00 H ATOM 933 HG22 VAL A 67 20.366 -40.832 25.608 1.00 0.00 H ATOM 934 HG23 VAL A 67 19.321 -42.272 25.548 1.00 0.00 H ATOM 935 H VAL A 67 19.801 -38.493 24.623 1.00 0.00 H ATOM 936 N TYR A 68 19.440 -40.016 20.605 1.00 36.04 N ATOM 937 CA TYR A 68 18.777 -39.570 19.375 1.00 32.08 C ATOM 938 C TYR A 68 17.275 -39.624 19.551 1.00 32.27 C ATOM 939 O TYR A 68 16.680 -40.648 19.895 1.00 32.10 O ATOM 940 CB TYR A 68 19.230 -40.436 18.174 1.00 28.89 C ATOM 941 CG TYR A 68 18.578 -40.057 16.845 1.00 22.98 C ATOM 942 CD1 TYR A 68 18.966 -38.889 16.189 1.00 20.89 C ATOM 943 CD2 TYR A 68 17.606 -40.875 16.273 1.00 22.98 C ATOM 944 CE1 TYR A 68 18.375 -38.514 14.993 1.00 21.31 C ATOM 945 CE2 TYR A 68 16.972 -40.530 15.062 1.00 19.77 C ATOM 946 CZ TYR A 68 17.378 -39.341 14.458 1.00 21.23 C ATOM 947 OH TYR A 68 16.806 -39.032 13.266 1.00 21.84 O ATOM 948 HA TYR A 68 19.062 -38.538 19.169 1.00 0.00 H ATOM 949 HB3 TYR A 68 18.985 -41.476 18.391 1.00 0.00 H ATOM 950 HB2 TYR A 68 20.310 -40.333 18.067 1.00 0.00 H ATOM 951 HD2 TYR A 68 17.329 -41.803 16.773 1.00 0.00 H ATOM 952 HE2 TYR A 68 16.202 -41.162 14.620 1.00 0.00 H ATOM 953 HE1 TYR A 68 18.678 -37.600 14.482 1.00 0.00 H ATOM 954 HD1 TYR A 68 19.745 -38.262 16.623 1.00 0.00 H ATOM 955 HH TYR A 68 17.172 -38.172 12.939 1.00 0.00 H ATOM 956 H TYR A 68 20.144 -40.781 20.565 1.00 0.00 H ATOM 957 N SER A 69 16.578 -38.529 19.264 1.00 33.81 N ATOM 958 CA SER A 69 15.092 -38.531 19.382 1.00 33.63 C ATOM 959 C SER A 69 14.401 -37.917 18.190 1.00 31.53 C ATOM 960 O SER A 69 13.402 -37.196 18.423 1.00 32.09 O ATOM 961 CB SER A 69 14.587 -37.917 20.683 1.00 36.67 C ATOM 962 OG SER A 69 15.501 -36.923 21.162 1.00 41.04 O ATOM 963 HA SER A 69 14.822 -39.587 19.403 1.00 0.00 H ATOM 964 HB2 SER A 69 14.485 -38.701 21.433 1.00 0.00 H ATOM 965 HB3 SER A 69 13.615 -37.455 20.508 1.00 0.00 H ATOM 966 HG SER A 69 16.384 -37.340 21.326 1.00 0.00 H ATOM 967 H SER A 69 17.072 -37.667 18.956 1.00 0.00 H ATOM 968 N GLY A 70 14.887 -38.171 16.987 1.00 28.47 N ATOM 969 CA GLY A 70 14.257 -37.725 15.778 1.00 26.11 C ATOM 970 C GLY A 70 14.726 -36.566 14.993 1.00 26.12 C ATOM 971 O GLY A 70 14.005 -36.301 13.975 1.00 26.88 O ATOM 972 HA3 GLY A 70 13.223 -37.506 16.044 1.00 0.00 H ATOM 973 HA2 GLY A 70 14.283 -38.576 15.097 1.00 0.00 H ATOM 974 H GLY A 70 15.767 -38.720 16.914 1.00 0.00 H ATOM 975 N GLY A 71 15.751 -35.822 15.337 1.00 25.76 N ATOM 976 CA GLY A 71 16.146 -34.660 14.495 1.00 27.15 C ATOM 977 C GLY A 71 17.297 -35.086 13.618 1.00 28.53 C ATOM 978 O GLY A 71 17.229 -36.137 12.948 1.00 30.08 O ATOM 979 HA3 GLY A 71 16.453 -33.830 15.131 1.00 0.00 H ATOM 980 HA2 GLY A 71 15.305 -34.349 13.876 1.00 0.00 H ATOM 981 H GLY A 71 16.288 -36.045 16.199 1.00 0.00 H ATOM 982 N SER A 72 18.388 -34.352 13.594 1.00 30.14 N ATOM 983 CA SER A 72 19.568 -34.704 12.769 1.00 30.70 C ATOM 984 C SER A 72 20.359 -35.825 13.425 1.00 27.16 C ATOM 985 O SER A 72 20.599 -35.793 14.611 1.00 26.62 O ATOM 986 CB SER A 72 20.474 -33.505 12.483 1.00 37.86 C ATOM 987 OG SER A 72 20.980 -33.004 13.759 1.00 45.69 O ATOM 988 HA SER A 72 19.188 -35.045 11.806 1.00 0.00 H ATOM 989 HB2 SER A 72 19.905 -32.724 11.978 1.00 0.00 H ATOM 990 HB3 SER A 72 21.306 -33.813 11.850 1.00 0.00 H ATOM 991 HG SER A 72 20.219 -32.729 14.329 1.00 0.00 H ATOM 992 H SER A 72 18.424 -33.491 14.176 1.00 0.00 H ATOM 993 N PRO A 73 20.706 -36.808 12.593 1.00 26.93 N ATOM 994 CA PRO A 73 21.480 -37.957 13.073 1.00 25.09 C ATOM 995 C PRO A 73 22.940 -37.598 13.330 1.00 23.35 C ATOM 996 O PRO A 73 23.722 -38.354 13.991 1.00 23.95 O ATOM 997 CB PRO A 73 21.190 -38.982 11.967 1.00 24.69 C ATOM 998 CG PRO A 73 21.135 -38.167 10.706 1.00 25.37 C ATOM 999 CD PRO A 73 20.406 -36.901 11.132 1.00 25.66 C ATOM 1000 HA PRO A 73 21.212 -38.349 14.054 1.00 0.00 H ATOM 1001 HD3 PRO A 73 20.789 -36.031 10.598 1.00 0.00 H ATOM 1002 HD2 PRO A 73 19.334 -36.990 10.958 1.00 0.00 H ATOM 1003 HG3 PRO A 73 20.582 -38.692 9.927 1.00 0.00 H ATOM 1004 HG2 PRO A 73 22.138 -37.937 10.346 1.00 0.00 H ATOM 1005 HB2 PRO A 73 21.985 -39.725 11.912 1.00 0.00 H ATOM 1006 HB3 PRO A 73 20.238 -39.483 12.145 1.00 0.00 H ATOM 1007 N GLY A 74 23.357 -36.446 12.818 1.00 21.04 N ATOM 1008 CA GLY A 74 24.775 -36.037 12.966 1.00 21.48 C ATOM 1009 C GLY A 74 25.614 -36.965 12.081 1.00 20.41 C ATOM 1010 O GLY A 74 25.093 -37.585 11.174 1.00 19.77 O ATOM 1011 HA3 GLY A 74 25.084 -36.134 14.007 1.00 0.00 H ATOM 1012 HA2 GLY A 74 24.900 -35.003 12.646 1.00 0.00 H ATOM 1013 H GLY A 74 22.689 -35.830 12.313 1.00 0.00 H ATOM 1014 N ALA A 75 26.917 -37.021 12.331 1.00 21.77 N ATOM 1015 CA ALA A 75 27.863 -37.864 11.573 1.00 21.38 C ATOM 1016 C ALA A 75 28.157 -39.211 12.214 1.00 20.67 C ATOM 1017 O ALA A 75 28.690 -40.086 11.528 1.00 21.97 O ATOM 1018 CB ALA A 75 29.218 -37.102 11.380 1.00 20.01 C ATOM 1019 HA ALA A 75 27.373 -38.065 10.620 1.00 0.00 H ATOM 1020 HB1 ALA A 75 29.039 -36.178 10.831 1.00 0.00 H ATOM 1021 HB2 ALA A 75 29.645 -36.869 12.356 1.00 0.00 H ATOM 1022 HB3 ALA A 75 29.910 -37.731 10.820 1.00 0.00 H ATOM 1023 H ALA A 75 27.293 -36.437 13.105 1.00 0.00 H ATOM 1024 N ASP A 76 27.859 -39.472 13.468 1.00 21.04 N ATOM 1025 CA ASP A 76 28.219 -40.651 14.221 1.00 21.24 C ATOM 1026 C ASP A 76 27.133 -41.664 14.425 1.00 19.45 C ATOM 1027 O ASP A 76 25.965 -41.392 14.567 1.00 19.68 O ATOM 1028 CB ASP A 76 28.833 -40.248 15.618 1.00 22.59 C ATOM 1029 CG ASP A 76 29.876 -39.155 15.469 1.00 26.12 C ATOM 1030 OD1 ASP A 76 30.479 -38.899 14.412 1.00 24.86 O ATOM 1031 OD2 ASP A 76 30.175 -38.445 16.464 1.00 28.12 O ATOM 1032 HA ASP A 76 28.956 -41.150 13.591 1.00 0.00 H ATOM 1033 HB2 ASP A 76 28.034 -39.890 16.267 1.00 0.00 H ATOM 1034 HB3 ASP A 76 29.299 -41.125 16.067 1.00 0.00 H ATOM 1035 H ASP A 76 27.304 -38.751 13.972 1.00 0.00 H ATOM 1036 N ARG A 77 27.601 -42.895 14.469 1.00 19.22 N ATOM 1037 CA ARG A 77 26.613 -43.949 14.659 1.00 19.60 C ATOM 1038 C ARG A 77 27.141 -45.046 15.552 1.00 19.29 C ATOM 1039 O ARG A 77 28.352 -45.306 15.486 1.00 21.80 O ATOM 1040 CB ARG A 77 26.299 -44.675 13.295 1.00 20.40 C ATOM 1041 CG ARG A 77 25.916 -43.798 12.127 1.00 18.97 C ATOM 1042 CD ARG A 77 24.521 -43.285 12.268 1.00 18.34 C ATOM 1043 NE ARG A 77 24.182 -42.512 11.083 1.00 19.63 N ATOM 1044 CZ ARG A 77 24.337 -41.198 11.080 1.00 22.02 C ATOM 1045 NH1 ARG A 77 24.700 -40.584 12.203 1.00 22.75 N ATOM 1046 NH2 ARG A 77 24.137 -40.557 9.947 1.00 24.13 N ATOM 1047 HA ARG A 77 25.738 -43.459 15.086 1.00 0.00 H ATOM 1048 HB2 ARG A 77 27.188 -45.236 13.008 1.00 0.00 H ATOM 1049 HB3 ARG A 77 25.475 -45.367 13.472 1.00 0.00 H ATOM 1050 HG2 ARG A 77 26.602 -42.953 12.077 1.00 0.00 H ATOM 1051 HG3 ARG A 77 25.990 -44.379 11.207 1.00 0.00 H ATOM 1052 HD2 ARG A 77 24.452 -42.651 13.152 1.00 0.00 H ATOM 1053 HD3 ARG A 77 23.831 -44.123 12.369 1.00 0.00 H ATOM 1054 HE ARG A 77 23.817 -42.993 10.236 1.00 0.00 H ATOM 1055 HH12 ARG A 77 24.825 -39.552 12.214 1.00 0.00 H ATOM 1056 HH11 ARG A 77 24.859 -41.136 13.070 1.00 0.00 H ATOM 1057 HH22 ARG A 77 24.250 -39.524 9.907 1.00 0.00 H ATOM 1058 HH21 ARG A 77 23.866 -41.084 9.092 1.00 0.00 H ATOM 1059 H ARG A 77 28.616 -43.102 14.374 1.00 0.00 H ATOM 1060 N VAL A 78 26.239 -45.695 16.217 1.00 20.31 N ATOM 1061 CA VAL A 78 26.446 -46.914 16.997 1.00 22.30 C ATOM 1062 C VAL A 78 25.960 -48.069 16.071 1.00 22.96 C ATOM 1063 O VAL A 78 24.907 -47.935 15.400 1.00 22.79 O ATOM 1064 CB VAL A 78 25.791 -46.853 18.388 1.00 21.57 C ATOM 1065 CG1 VAL A 78 24.284 -46.787 18.449 1.00 19.89 C ATOM 1066 CG2 VAL A 78 26.312 -48.019 19.245 1.00 21.96 C ATOM 1067 HA VAL A 78 27.491 -47.071 17.263 1.00 0.00 H ATOM 1068 HB VAL A 78 26.092 -45.882 18.782 1.00 0.00 H ATOM 1069 HG11 VAL A 78 23.939 -45.893 17.929 1.00 0.00 H ATOM 1070 HG12 VAL A 78 23.863 -47.672 17.971 1.00 0.00 H ATOM 1071 HG13 VAL A 78 23.965 -46.749 19.491 1.00 0.00 H ATOM 1072 HG21 VAL A 78 26.060 -48.964 18.763 1.00 0.00 H ATOM 1073 HG22 VAL A 78 27.394 -47.939 19.346 1.00 0.00 H ATOM 1074 HG23 VAL A 78 25.850 -47.978 20.231 1.00 0.00 H ATOM 1075 H VAL A 78 25.273 -45.311 16.194 1.00 0.00 H ATOM 1076 N VAL A 79 26.720 -49.171 15.964 1.00 23.08 N ATOM 1077 CA VAL A 79 26.266 -50.314 15.125 1.00 22.66 C ATOM 1078 C VAL A 79 26.098 -51.441 16.131 1.00 23.60 C ATOM 1079 O VAL A 79 27.003 -51.598 16.965 1.00 25.40 O ATOM 1080 CB VAL A 79 27.225 -50.680 14.003 1.00 21.73 C ATOM 1081 CG1 VAL A 79 26.729 -51.825 13.147 1.00 20.00 C ATOM 1082 CG2 VAL A 79 27.524 -49.425 13.191 1.00 22.56 C ATOM 1083 HA VAL A 79 25.350 -50.076 14.584 1.00 0.00 H ATOM 1084 HB VAL A 79 28.151 -51.053 14.441 1.00 0.00 H ATOM 1085 HG11 VAL A 79 26.595 -52.710 13.769 1.00 0.00 H ATOM 1086 HG12 VAL A 79 25.777 -51.551 12.692 1.00 0.00 H ATOM 1087 HG13 VAL A 79 27.459 -52.036 12.366 1.00 0.00 H ATOM 1088 HG21 VAL A 79 26.596 -49.034 12.774 1.00 0.00 H ATOM 1089 HG22 VAL A 79 27.978 -48.675 13.838 1.00 0.00 H ATOM 1090 HG23 VAL A 79 28.211 -49.672 12.382 1.00 0.00 H ATOM 1091 H VAL A 79 27.628 -49.226 16.468 1.00 0.00 H ATOM 1092 N PHE A 80 25.052 -52.168 16.037 1.00 23.60 N ATOM 1093 CA PHE A 80 24.784 -53.238 17.038 1.00 24.51 C ATOM 1094 C PHE A 80 24.178 -54.384 16.256 1.00 25.07 C ATOM 1095 O PHE A 80 23.759 -54.163 15.101 1.00 24.59 O ATOM 1096 CB PHE A 80 23.908 -52.642 18.192 1.00 25.46 C ATOM 1097 CG PHE A 80 22.516 -52.135 17.805 1.00 25.92 C ATOM 1098 CD1 PHE A 80 21.433 -52.975 17.583 1.00 22.96 C ATOM 1099 CD2 PHE A 80 22.303 -50.744 17.633 1.00 25.88 C ATOM 1100 CE1 PHE A 80 20.181 -52.537 17.203 1.00 22.39 C ATOM 1101 CE2 PHE A 80 21.083 -50.237 17.241 1.00 24.80 C ATOM 1102 CZ PHE A 80 20.027 -51.170 17.004 1.00 23.68 C ATOM 1103 HA PHE A 80 25.666 -53.625 17.549 1.00 0.00 H ATOM 1104 HB2 PHE A 80 23.779 -53.419 18.945 1.00 0.00 H ATOM 1105 HB3 PHE A 80 24.456 -51.805 18.625 1.00 0.00 H ATOM 1106 HD2 PHE A 80 23.128 -50.056 17.816 1.00 0.00 H ATOM 1107 HE2 PHE A 80 20.929 -49.165 17.116 1.00 0.00 H ATOM 1108 HZ PHE A 80 19.065 -50.796 16.654 1.00 0.00 H ATOM 1109 HE1 PHE A 80 19.351 -53.231 17.065 1.00 0.00 H ATOM 1110 HD1 PHE A 80 21.581 -54.047 17.717 1.00 0.00 H ATOM 1111 H PHE A 80 24.383 -52.012 15.256 1.00 0.00 H ATOM 1112 N ASN A 81 24.097 -55.574 16.832 1.00 26.31 N ATOM 1113 CA ASN A 81 23.457 -56.698 16.112 1.00 27.18 C ATOM 1114 C ASN A 81 22.098 -56.987 16.770 1.00 28.63 C ATOM 1115 O ASN A 81 21.623 -56.278 17.665 1.00 28.78 O ATOM 1116 CB ASN A 81 24.304 -57.941 15.998 1.00 26.12 C ATOM 1117 CG ASN A 81 24.604 -58.573 17.339 1.00 25.72 C ATOM 1118 OD1 ASN A 81 23.983 -58.304 18.383 1.00 24.94 O ATOM 1119 ND2 ASN A 81 25.603 -59.429 17.285 1.00 26.95 N ATOM 1120 HA ASN A 81 23.321 -56.386 15.076 1.00 0.00 H ATOM 1121 HB2 ASN A 81 23.775 -58.667 15.381 1.00 0.00 H ATOM 1122 HB3 ASN A 81 25.247 -57.677 15.519 1.00 0.00 H ATOM 1123 HD22 ASN A 81 26.083 -59.612 16.381 1.00 0.00 H ATOM 1124 HD21 ASN A 81 25.912 -59.923 18.147 1.00 0.00 H ATOM 1125 H ASN A 81 24.482 -55.718 17.787 1.00 0.00 H ATOM 1126 N GLU A 82 21.484 -58.027 16.251 1.00 30.38 N ATOM 1127 CA GLU A 82 20.202 -58.501 16.740 1.00 31.86 C ATOM 1128 C GLU A 82 20.194 -58.994 18.169 1.00 31.76 C ATOM 1129 O GLU A 82 19.100 -58.922 18.740 1.00 32.71 O ATOM 1130 CB GLU A 82 19.869 -59.754 15.896 1.00 34.54 C ATOM 1131 CG GLU A 82 19.494 -59.329 14.490 1.00 39.35 C ATOM 1132 CD GLU A 82 18.012 -59.058 14.426 1.00 42.79 C ATOM 1133 OE1 GLU A 82 17.328 -58.813 15.417 1.00 44.95 O ATOM 1134 OE2 GLU A 82 17.653 -59.186 13.246 1.00 45.10 O ATOM 1135 HA GLU A 82 19.513 -57.659 16.675 1.00 0.00 H ATOM 1136 HB2 GLU A 82 20.739 -60.409 15.858 1.00 0.00 H ATOM 1137 HB3 GLU A 82 19.034 -60.287 16.350 1.00 0.00 H ATOM 1138 HG2 GLU A 82 20.041 -58.424 14.225 1.00 0.00 H ATOM 1139 HG3 GLU A 82 19.749 -60.124 13.789 1.00 0.00 H ATOM 1140 H GLU A 82 21.934 -58.530 15.460 1.00 0.00 H ATOM 1141 N ASN A 83 21.278 -59.460 18.716 1.00 32.18 N ATOM 1142 CA ASN A 83 21.444 -60.032 20.043 1.00 33.93 C ATOM 1143 C ASN A 83 21.715 -58.922 21.047 1.00 34.07 C ATOM 1144 O ASN A 83 21.953 -59.078 22.243 1.00 35.48 O ATOM 1145 CB ASN A 83 22.568 -61.087 20.174 1.00 37.78 C ATOM 1146 CG ASN A 83 22.562 -62.191 19.144 1.00 41.29 C ATOM 1147 OD1 ASN A 83 23.680 -62.593 18.689 1.00 44.79 O ATOM 1148 ND2 ASN A 83 21.410 -62.718 18.687 1.00 40.96 N ATOM 1149 HA ASN A 83 20.508 -60.554 20.241 1.00 0.00 H ATOM 1150 HB2 ASN A 83 23.524 -60.568 20.101 1.00 0.00 H ATOM 1151 HB3 ASN A 83 22.480 -61.548 21.158 1.00 0.00 H ATOM 1152 HD22 ASN A 83 20.500 -62.384 19.064 1.00 0.00 H ATOM 1153 HD21 ASN A 83 21.430 -63.459 17.957 1.00 0.00 H ATOM 1154 H ASN A 83 22.136 -59.418 18.130 1.00 0.00 H ATOM 1155 N ASN A 84 21.740 -57.773 20.420 1.00 33.36 N ATOM 1156 CA ASN A 84 22.025 -56.536 21.089 1.00 31.66 C ATOM 1157 C ASN A 84 23.488 -56.491 21.520 1.00 31.01 C ATOM 1158 O ASN A 84 23.791 -56.079 22.650 1.00 30.62 O ATOM 1159 CB ASN A 84 21.049 -56.197 22.202 1.00 32.28 C ATOM 1160 CG ASN A 84 21.236 -54.741 22.543 1.00 33.99 C ATOM 1161 OD1 ASN A 84 20.803 -54.299 23.605 1.00 38.28 O ATOM 1162 ND2 ASN A 84 21.883 -53.977 21.656 1.00 35.99 N ATOM 1163 HA ASN A 84 21.870 -55.734 20.367 1.00 0.00 H ATOM 1164 HB2 ASN A 84 20.027 -56.372 21.867 1.00 0.00 H ATOM 1165 HB3 ASN A 84 21.254 -56.814 23.077 1.00 0.00 H ATOM 1166 HD22 ASN A 84 22.233 -54.393 20.769 1.00 0.00 H ATOM 1167 HD21 ASN A 84 22.036 -52.967 21.853 1.00 0.00 H ATOM 1168 H ASN A 84 21.546 -57.756 19.398 1.00 0.00 H ATOM 1169 N GLN A 85 24.378 -56.838 20.588 1.00 30.01 N ATOM 1170 CA GLN A 85 25.794 -56.641 20.994 1.00 30.08 C ATOM 1171 C GLN A 85 26.331 -55.469 20.151 1.00 28.76 C ATOM 1172 O GLN A 85 25.895 -55.325 19.011 1.00 26.72 O ATOM 1173 CB GLN A 85 26.583 -57.889 20.794 1.00 33.28 C ATOM 1174 CG GLN A 85 25.850 -59.136 21.287 1.00 34.41 C ATOM 1175 CD GLN A 85 26.700 -60.298 20.824 1.00 36.91 C ATOM 1176 OE1 GLN A 85 27.550 -60.693 21.653 1.00 41.90 O ATOM 1177 NE2 GLN A 85 26.553 -60.718 19.594 1.00 36.17 N ATOM 1178 HA GLN A 85 25.877 -56.408 22.056 1.00 0.00 H ATOM 1179 HB2 GLN A 85 26.790 -58.004 19.730 1.00 0.00 H ATOM 1180 HB3 GLN A 85 27.523 -57.799 21.338 1.00 0.00 H ATOM 1181 HG2 GLN A 85 25.770 -59.129 22.374 1.00 0.00 H ATOM 1182 HG3 GLN A 85 24.853 -59.192 20.850 1.00 0.00 H ATOM 1183 HE22 GLN A 85 25.807 -60.314 18.992 1.00 0.00 H ATOM 1184 HE21 GLN A 85 27.182 -61.455 19.218 1.00 0.00 H ATOM 1185 H GLN A 85 24.104 -57.214 19.658 1.00 0.00 H ATOM 1186 N LEU A 86 27.235 -54.722 20.760 1.00 28.74 N ATOM 1187 CA LEU A 86 27.893 -53.586 20.126 1.00 28.90 C ATOM 1188 C LEU A 86 28.904 -54.061 19.076 1.00 28.56 C ATOM 1189 O LEU A 86 29.848 -54.756 19.477 1.00 29.61 O ATOM 1190 CB LEU A 86 28.720 -52.710 21.096 1.00 29.77 C ATOM 1191 CG LEU A 86 29.474 -51.533 20.483 1.00 27.95 C ATOM 1192 CD1 LEU A 86 28.652 -50.263 20.274 1.00 26.42 C ATOM 1193 CD2 LEU A 86 30.631 -51.198 21.413 1.00 31.46 C ATOM 1194 HA LEU A 86 27.070 -53.007 19.708 1.00 0.00 H ATOM 1195 HB2 LEU A 86 28.036 -52.311 21.845 1.00 0.00 H ATOM 1196 HB3 LEU A 86 29.452 -53.355 21.581 1.00 0.00 H ATOM 1197 HG LEU A 86 29.783 -51.852 19.488 1.00 0.00 H ATOM 1198 HD21 LEU A 86 30.241 -50.931 22.395 1.00 0.00 H ATOM 1199 HD22 LEU A 86 31.285 -52.065 21.504 1.00 0.00 H ATOM 1200 HD23 LEU A 86 31.193 -50.358 21.004 1.00 0.00 H ATOM 1201 HD11 LEU A 86 27.819 -50.477 19.605 1.00 0.00 H ATOM 1202 HD12 LEU A 86 28.269 -49.917 21.234 1.00 0.00 H ATOM 1203 HD13 LEU A 86 29.284 -49.491 19.834 1.00 0.00 H ATOM 1204 H LEU A 86 27.490 -54.956 21.741 1.00 0.00 H ATOM 1205 N ALA A 87 28.688 -53.627 17.875 1.00 27.21 N ATOM 1206 CA ALA A 87 29.554 -53.960 16.758 1.00 26.74 C ATOM 1207 C ALA A 87 30.679 -52.914 16.676 1.00 26.58 C ATOM 1208 O ALA A 87 31.828 -53.395 16.527 1.00 28.21 O ATOM 1209 CB ALA A 87 28.868 -54.120 15.416 1.00 24.67 C ATOM 1210 HA ALA A 87 29.947 -54.955 16.968 1.00 0.00 H ATOM 1211 HB1 ALA A 87 28.131 -54.920 15.479 1.00 0.00 H ATOM 1212 HB2 ALA A 87 28.372 -53.187 15.150 1.00 0.00 H ATOM 1213 HB3 ALA A 87 29.610 -54.368 14.657 1.00 0.00 H ATOM 1214 H ALA A 87 27.863 -53.017 17.704 1.00 0.00 H ATOM 1215 N GLY A 88 30.398 -51.641 16.765 1.00 24.74 N ATOM 1216 CA GLY A 88 31.467 -50.643 16.643 1.00 24.79 C ATOM 1217 C GLY A 88 30.768 -49.302 16.668 1.00 24.76 C ATOM 1218 O GLY A 88 29.533 -49.280 16.831 1.00 25.59 O ATOM 1219 HA3 GLY A 88 32.007 -50.775 15.705 1.00 0.00 H ATOM 1220 HA2 GLY A 88 32.164 -50.726 17.477 1.00 0.00 H ATOM 1221 H GLY A 88 29.417 -51.335 16.922 1.00 0.00 H ATOM 1222 N VAL A 89 31.563 -48.291 16.512 1.00 24.47 N ATOM 1223 CA VAL A 89 31.155 -46.875 16.481 1.00 24.45 C ATOM 1224 C VAL A 89 31.826 -46.282 15.241 1.00 23.05 C ATOM 1225 O VAL A 89 33.040 -46.437 15.127 1.00 25.16 O ATOM 1226 CB VAL A 89 31.335 -46.148 17.799 1.00 24.84 C ATOM 1227 CG1 VAL A 89 30.770 -44.731 17.748 1.00 23.42 C ATOM 1228 CG2 VAL A 89 30.628 -46.972 18.926 1.00 28.73 C ATOM 1229 HA VAL A 89 30.077 -46.754 16.378 1.00 0.00 H ATOM 1230 HB VAL A 89 32.402 -46.060 18.006 1.00 0.00 H ATOM 1231 HG11 VAL A 89 31.284 -44.164 16.971 1.00 0.00 H ATOM 1232 HG12 VAL A 89 29.704 -44.774 17.524 1.00 0.00 H ATOM 1233 HG13 VAL A 89 30.920 -44.246 18.713 1.00 0.00 H ATOM 1234 HG21 VAL A 89 29.567 -47.065 18.695 1.00 0.00 H ATOM 1235 HG22 VAL A 89 31.076 -47.964 18.985 1.00 0.00 H ATOM 1236 HG23 VAL A 89 30.750 -46.459 19.880 1.00 0.00 H ATOM 1237 H VAL A 89 32.576 -48.496 16.399 1.00 0.00 H ATOM 1238 N ILE A 90 31.012 -45.759 14.341 1.00 21.57 N ATOM 1239 CA ILE A 90 31.560 -45.298 13.072 1.00 20.57 C ATOM 1240 C ILE A 90 31.102 -43.867 12.900 1.00 19.92 C ATOM 1241 O ILE A 90 30.202 -43.436 13.632 1.00 19.66 O ATOM 1242 CB ILE A 90 31.072 -46.373 12.021 1.00 20.09 C ATOM 1243 CG1 ILE A 90 29.542 -46.327 11.896 1.00 19.28 C ATOM 1244 CG2 ILE A 90 31.588 -47.817 12.346 1.00 18.62 C ATOM 1245 CD1 ILE A 90 28.896 -47.019 10.672 1.00 16.04 C ATOM 1246 HA ILE A 90 32.644 -45.243 12.971 1.00 0.00 H ATOM 1247 HB ILE A 90 31.509 -46.115 11.056 1.00 0.00 H ATOM 1248 HG12 ILE A 90 29.129 -46.794 12.790 1.00 0.00 H ATOM 1249 HG13 ILE A 90 29.249 -45.277 11.868 1.00 0.00 H ATOM 1250 HD11 ILE A 90 29.271 -46.560 9.757 1.00 0.00 H ATOM 1251 HD12 ILE A 90 29.150 -48.079 10.679 1.00 0.00 H ATOM 1252 HD13 ILE A 90 27.813 -46.903 10.720 1.00 0.00 H ATOM 1253 HG21 ILE A 90 32.678 -47.821 12.346 1.00 0.00 H ATOM 1254 HG22 ILE A 90 31.223 -48.120 13.327 1.00 0.00 H ATOM 1255 HG23 ILE A 90 31.221 -48.511 11.590 1.00 0.00 H ATOM 1256 H ILE A 90 29.994 -45.677 14.536 1.00 0.00 H ATOM 1257 N THR A 91 31.718 -43.218 11.942 1.00 19.69 N ATOM 1258 CA THR A 91 31.424 -41.809 11.644 1.00 20.90 C ATOM 1259 C THR A 91 31.678 -41.432 10.199 1.00 20.73 C ATOM 1260 O THR A 91 32.525 -41.980 9.524 1.00 20.39 O ATOM 1261 CB THR A 91 32.317 -40.924 12.639 1.00 21.80 C ATOM 1262 OG1 THR A 91 32.003 -39.534 12.385 1.00 23.46 O ATOM 1263 CG2 THR A 91 33.829 -41.157 12.407 1.00 21.72 C ATOM 1264 HA THR A 91 30.360 -41.627 11.794 1.00 0.00 H ATOM 1265 HB THR A 91 32.096 -41.205 13.669 1.00 0.00 H ATOM 1266 HG1 THR A 91 31.040 -39.379 12.553 1.00 0.00 H ATOM 1267 HG23 THR A 91 34.068 -42.203 12.598 1.00 0.00 H ATOM 1268 HG21 THR A 91 34.080 -40.908 11.376 1.00 0.00 H ATOM 1269 HG22 THR A 91 34.401 -40.523 13.085 1.00 0.00 H ATOM 1270 H THR A 91 32.436 -43.715 11.376 1.00 0.00 H ATOM 1271 N HIS A 92 30.954 -40.418 9.746 1.00 22.13 N ATOM 1272 CA HIS A 92 31.165 -39.842 8.410 1.00 23.77 C ATOM 1273 C HIS A 92 32.444 -38.958 8.431 1.00 24.90 C ATOM 1274 O HIS A 92 33.121 -38.803 7.403 1.00 24.06 O ATOM 1275 CB HIS A 92 30.019 -38.963 7.898 1.00 20.01 C ATOM 1276 CG HIS A 92 28.901 -39.778 7.329 1.00 21.64 C ATOM 1277 ND1 HIS A 92 29.097 -40.900 6.554 1.00 21.66 N ATOM 1278 CD2 HIS A 92 27.564 -39.612 7.421 1.00 20.23 C ATOM 1279 CE1 HIS A 92 27.916 -41.371 6.179 1.00 20.02 C ATOM 1280 NE2 HIS A 92 26.980 -40.624 6.729 1.00 20.79 N ATOM 1281 HA HIS A 92 31.244 -40.698 7.739 1.00 0.00 H ATOM 1282 HB2 HIS A 92 29.635 -38.367 8.726 1.00 0.00 H ATOM 1283 HB3 HIS A 92 30.403 -38.300 7.122 1.00 0.00 H ATOM 1284 HD2 HIS A 92 27.048 -38.813 7.953 1.00 0.00 H ATOM 1285 HE1 HIS A 92 27.748 -42.229 5.528 1.00 0.00 H ATOM 1286 H HIS A 92 30.213 -40.017 10.355 1.00 0.00 H ATOM 1287 N THR A 93 32.736 -38.399 9.597 1.00 26.47 N ATOM 1288 CA THR A 93 33.898 -37.545 9.824 1.00 28.27 C ATOM 1289 C THR A 93 35.208 -38.208 9.459 1.00 30.02 C ATOM 1290 O THR A 93 35.668 -39.129 10.172 1.00 31.96 O ATOM 1291 CB THR A 93 33.996 -37.031 11.333 1.00 25.52 C ATOM 1292 OG1 THR A 93 32.698 -36.447 11.564 1.00 27.98 O ATOM 1293 CG2 THR A 93 35.090 -35.978 11.472 1.00 24.49 C ATOM 1294 HA THR A 93 33.739 -36.695 9.160 1.00 0.00 H ATOM 1295 HB THR A 93 34.245 -37.821 12.041 1.00 0.00 H ATOM 1296 HG1 THR A 93 32.656 -36.093 12.488 1.00 0.00 H ATOM 1297 HG23 THR A 93 36.061 -36.439 11.294 1.00 0.00 H ATOM 1298 HG21 THR A 93 34.924 -35.185 10.743 1.00 0.00 H ATOM 1299 HG22 THR A 93 35.064 -35.560 12.478 1.00 0.00 H ATOM 1300 H THR A 93 32.099 -38.580 10.399 1.00 0.00 H ATOM 1301 N GLY A 94 35.875 -37.751 8.409 1.00 30.82 N ATOM 1302 CA GLY A 94 37.184 -38.394 8.084 1.00 29.98 C ATOM 1303 C GLY A 94 37.042 -39.395 6.972 1.00 30.95 C ATOM 1304 O GLY A 94 38.071 -39.908 6.483 1.00 32.01 O ATOM 1305 HA3 GLY A 94 37.561 -38.901 8.972 1.00 0.00 H ATOM 1306 HA2 GLY A 94 37.892 -37.623 7.780 1.00 0.00 H ATOM 1307 H GLY A 94 35.500 -36.972 7.831 1.00 0.00 H ATOM 1308 N ALA A 95 35.806 -39.676 6.571 1.00 30.17 N ATOM 1309 CA ALA A 95 35.578 -40.635 5.483 1.00 29.28 C ATOM 1310 C ALA A 95 35.247 -39.783 4.261 1.00 30.56 C ATOM 1311 O ALA A 95 34.777 -38.631 4.358 1.00 31.46 O ATOM 1312 CB ALA A 95 34.584 -41.694 5.868 1.00 26.09 C ATOM 1313 HA ALA A 95 36.449 -41.246 5.246 1.00 0.00 H ATOM 1314 HB1 ALA A 95 34.956 -42.242 6.734 1.00 0.00 H ATOM 1315 HB2 ALA A 95 33.632 -41.224 6.115 1.00 0.00 H ATOM 1316 HB3 ALA A 95 34.446 -42.382 5.034 1.00 0.00 H ATOM 1317 H ALA A 95 34.996 -39.214 7.031 1.00 0.00 H ATOM 1318 N SER A 96 35.567 -40.337 3.097 1.00 30.19 N ATOM 1319 CA SER A 96 35.244 -39.580 1.874 1.00 30.84 C ATOM 1320 C SER A 96 33.903 -40.072 1.348 1.00 30.37 C ATOM 1321 O SER A 96 33.382 -41.113 1.768 1.00 29.97 O ATOM 1322 CB SER A 96 36.367 -39.786 0.867 1.00 35.42 C ATOM 1323 OG SER A 96 36.327 -41.150 0.430 1.00 36.52 O ATOM 1324 HA SER A 96 35.161 -38.511 2.069 1.00 0.00 H ATOM 1325 HB2 SER A 96 37.328 -39.576 1.336 1.00 0.00 H ATOM 1326 HB3 SER A 96 36.227 -39.120 0.015 1.00 0.00 H ATOM 1327 HG SER A 96 37.051 -41.306 -0.227 1.00 0.00 H ATOM 1328 H SER A 96 36.027 -41.268 3.050 1.00 0.00 H ATOM 1329 N GLY A 97 33.359 -39.313 0.407 1.00 30.09 N ATOM 1330 CA GLY A 97 32.075 -39.581 -0.236 1.00 27.98 C ATOM 1331 C GLY A 97 31.051 -39.646 0.922 1.00 27.53 C ATOM 1332 O GLY A 97 31.014 -38.763 1.810 1.00 25.75 O ATOM 1333 HA3 GLY A 97 32.106 -40.529 -0.774 1.00 0.00 H ATOM 1334 HA2 GLY A 97 31.819 -38.780 -0.929 1.00 0.00 H ATOM 1335 H GLY A 97 33.883 -38.467 0.105 1.00 0.00 H ATOM 1336 N ASN A 98 30.296 -40.744 0.808 1.00 25.87 N ATOM 1337 CA ASN A 98 29.285 -40.999 1.867 1.00 26.58 C ATOM 1338 C ASN A 98 29.681 -42.228 2.673 1.00 26.10 C ATOM 1339 O ASN A 98 28.806 -42.895 3.227 1.00 26.19 O ATOM 1340 CB ASN A 98 27.893 -41.048 1.242 1.00 27.97 C ATOM 1341 CG ASN A 98 27.710 -42.062 0.107 1.00 27.73 C ATOM 1342 OD1 ASN A 98 28.642 -42.801 -0.268 1.00 29.24 O ATOM 1343 ND2 ASN A 98 26.444 -42.109 -0.350 1.00 27.14 N ATOM 1344 HA ASN A 98 29.250 -40.184 2.590 1.00 0.00 H ATOM 1345 HB2 ASN A 98 27.180 -41.294 2.029 1.00 0.00 H ATOM 1346 HB3 ASN A 98 27.668 -40.058 0.846 1.00 0.00 H ATOM 1347 HD22 ASN A 98 25.732 -41.450 0.023 1.00 0.00 H ATOM 1348 HD21 ASN A 98 26.179 -42.805 -1.076 1.00 0.00 H ATOM 1349 H ASN A 98 30.412 -41.396 0.006 1.00 0.00 H ATOM 1350 N ASN A 99 30.936 -42.570 2.728 1.00 26.11 N ATOM 1351 CA ASN A 99 31.409 -43.736 3.501 1.00 25.83 C ATOM 1352 C ASN A 99 31.587 -43.271 4.966 1.00 24.66 C ATOM 1353 O ASN A 99 31.430 -42.095 5.280 1.00 24.51 O ATOM 1354 CB ASN A 99 32.691 -44.242 2.850 1.00 26.98 C ATOM 1355 CG ASN A 99 32.601 -45.193 1.686 1.00 27.73 C ATOM 1356 OD1 ASN A 99 33.702 -45.649 1.257 1.00 29.97 O ATOM 1357 ND2 ASN A 99 31.450 -45.540 1.182 1.00 26.43 N ATOM 1358 HA ASN A 99 30.709 -44.571 3.505 1.00 0.00 H ATOM 1359 HB2 ASN A 99 33.239 -43.366 2.503 1.00 0.00 H ATOM 1360 HB3 ASN A 99 33.266 -44.745 3.628 1.00 0.00 H ATOM 1361 HD22 ASN A 99 30.571 -45.139 1.567 1.00 0.00 H ATOM 1362 HD21 ASN A 99 31.410 -46.218 0.394 1.00 0.00 H ATOM 1363 H ASN A 99 31.633 -42.000 2.207 1.00 0.00 H ATOM 1364 N PHE A 100 31.918 -44.164 5.840 1.00 23.82 N ATOM 1365 CA PHE A 100 32.202 -44.205 7.230 1.00 23.68 C ATOM 1366 C PHE A 100 33.611 -44.816 7.507 1.00 24.68 C ATOM 1367 O PHE A 100 34.130 -45.727 6.875 1.00 23.51 O ATOM 1368 CB PHE A 100 31.187 -45.131 8.010 1.00 20.83 C ATOM 1369 CG PHE A 100 29.801 -44.610 8.095 1.00 20.49 C ATOM 1370 CD1 PHE A 100 29.433 -43.630 9.024 1.00 20.55 C ATOM 1371 CD2 PHE A 100 28.822 -45.033 7.190 1.00 21.43 C ATOM 1372 CE1 PHE A 100 28.157 -43.097 9.078 1.00 20.64 C ATOM 1373 CE2 PHE A 100 27.505 -44.539 7.238 1.00 21.42 C ATOM 1374 CZ PHE A 100 27.176 -43.605 8.203 1.00 19.66 C ATOM 1375 HA PHE A 100 32.136 -43.170 7.566 1.00 0.00 H ATOM 1376 HB2 PHE A 100 31.155 -46.097 7.507 1.00 0.00 H ATOM 1377 HB3 PHE A 100 31.561 -45.264 9.025 1.00 0.00 H ATOM 1378 HD2 PHE A 100 29.086 -45.765 6.427 1.00 0.00 H ATOM 1379 HE2 PHE A 100 26.757 -44.887 6.526 1.00 0.00 H ATOM 1380 HZ PHE A 100 26.146 -43.258 8.288 1.00 0.00 H ATOM 1381 HE1 PHE A 100 27.916 -42.301 9.782 1.00 0.00 H ATOM 1382 HD1 PHE A 100 30.180 -43.273 9.732 1.00 0.00 H ATOM 1383 H PHE A 100 31.998 -45.107 5.408 1.00 0.00 H ATOM 1384 N VAL A 101 34.233 -44.313 8.531 1.00 25.86 N ATOM 1385 CA VAL A 101 35.505 -44.768 9.116 1.00 26.27 C ATOM 1386 C VAL A 101 35.142 -45.204 10.553 1.00 27.18 C ATOM 1387 O VAL A 101 34.075 -44.869 11.134 1.00 27.41 O ATOM 1388 CB VAL A 101 36.586 -43.694 8.992 1.00 23.26 C ATOM 1389 CG1 VAL A 101 36.986 -43.442 7.567 1.00 22.16 C ATOM 1390 CG2 VAL A 101 36.197 -42.391 9.638 1.00 22.31 C ATOM 1391 HA VAL A 101 35.958 -45.611 8.594 1.00 0.00 H ATOM 1392 HB VAL A 101 37.443 -44.100 9.530 1.00 0.00 H ATOM 1393 HG11 VAL A 101 37.375 -44.362 7.132 1.00 0.00 H ATOM 1394 HG12 VAL A 101 36.116 -43.110 7.000 1.00 0.00 H ATOM 1395 HG13 VAL A 101 37.756 -42.671 7.538 1.00 0.00 H ATOM 1396 HG21 VAL A 101 35.293 -42.008 9.165 1.00 0.00 H ATOM 1397 HG22 VAL A 101 36.012 -42.554 10.700 1.00 0.00 H ATOM 1398 HG23 VAL A 101 37.006 -41.671 9.516 1.00 0.00 H ATOM 1399 H VAL A 101 33.781 -43.496 8.989 1.00 0.00 H ATOM 1400 N GLU A 102 35.958 -46.011 11.165 1.00 28.31 N ATOM 1401 CA GLU A 102 35.710 -46.417 12.555 1.00 31.13 C ATOM 1402 C GLU A 102 36.162 -45.313 13.501 1.00 32.54 C ATOM 1403 O GLU A 102 36.987 -44.424 13.195 1.00 33.08 O ATOM 1404 CB GLU A 102 36.460 -47.703 12.878 1.00 32.90 C ATOM 1405 CG GLU A 102 35.540 -48.918 12.728 1.00 38.92 C ATOM 1406 CD GLU A 102 36.163 -50.246 13.025 1.00 41.34 C ATOM 1407 OE1 GLU A 102 37.247 -50.407 12.427 1.00 43.74 O ATOM 1408 OE2 GLU A 102 35.679 -51.090 13.736 1.00 44.26 O ATOM 1409 HA GLU A 102 34.642 -46.592 12.681 1.00 0.00 H ATOM 1410 HB2 GLU A 102 37.304 -47.806 12.196 1.00 0.00 H ATOM 1411 HB3 GLU A 102 36.827 -47.656 13.903 1.00 0.00 H ATOM 1412 HG2 GLU A 102 34.696 -48.785 13.405 1.00 0.00 H ATOM 1413 HG3 GLU A 102 35.179 -48.940 11.700 1.00 0.00 H ATOM 1414 H GLU A 102 36.795 -46.373 10.665 1.00 0.00 H ATOM 1415 N CYS A 103 35.576 -45.252 14.661 1.00 33.91 N ATOM 1416 CA CYS A 103 35.902 -44.328 15.752 1.00 35.13 C ATOM 1417 C CYS A 103 36.922 -45.107 16.595 1.00 37.56 C ATOM 1418 O CYS A 103 36.668 -46.297 16.897 1.00 37.71 O ATOM 1419 CB CYS A 103 34.647 -44.029 16.566 1.00 30.31 C ATOM 1420 SG CYS A 103 33.583 -42.992 15.538 1.00 28.27 S ATOM 1421 HA CYS A 103 36.290 -43.369 15.407 1.00 0.00 H ATOM 1422 HB2 CYS A 103 34.912 -43.501 17.482 1.00 0.00 H ATOM 1423 HB3 CYS A 103 34.134 -44.957 16.818 1.00 0.00 H ATOM 1424 H CYS A 103 34.801 -45.924 14.831 1.00 0.00 H ATOM 1425 N THR A 104 37.921 -44.368 16.994 1.00 41.34 N ATOM 1426 CA THR A 104 39.005 -44.965 17.822 1.00 46.15 C ATOM 1427 C THR A 104 39.151 -44.685 19.290 1.00 48.82 C ATOM 1428 O THR A 104 39.511 -45.727 19.987 1.00 51.39 O ATOM 1429 CB THR A 104 40.366 -44.706 17.017 1.00 45.46 C ATOM 1430 OG1 THR A 104 40.189 -43.343 16.478 1.00 46.28 O ATOM 1431 CG2 THR A 104 40.596 -45.853 16.044 1.00 43.74 C ATOM 1432 HA THR A 104 38.701 -46.006 17.934 1.00 0.00 H ATOM 1433 OXT THR A 104 38.991 -43.595 19.887 1.00 53.53 O ATOM 1434 HB THR A 104 41.295 -44.715 17.587 1.00 0.00 H ATOM 1435 HG1 THR A 104 40.991 -43.089 15.957 1.00 0.00 H ATOM 1436 HG23 THR A 104 40.706 -46.784 16.601 1.00 0.00 H ATOM 1437 HG21 THR A 104 39.744 -45.931 15.368 1.00 0.00 H ATOM 1438 HG22 THR A 104 41.502 -45.663 15.468 1.00 0.00 H ATOM 1439 H THR A 104 37.960 -43.362 16.734 1.00 0.00 H TER 1440 THR A 104 HETATM 1441 O HOH 1 14.209 -35.699 11.276 1.00 37.21 O HETATM 1442 O HOH 2 21.501 -41.876 20.594 1.00 24.80 O HETATM 1443 O HOH 3 31.950 -36.601 14.258 1.00 23.96 O HETATM 1444 O HOH 4 25.712 -37.928 15.430 1.00 17.18 O HETATM 1445 O HOH 5 11.948 -36.110 20.282 1.00 20.64 O HETATM 1446 O HOH 6 31.238 -39.132 4.215 1.00 32.54 O HETATM 1447 O HOH 7 10.711 -55.743 12.242 1.00 33.00 O HETATM 1448 O HOH 8 18.766 -32.110 15.565 1.00 51.49 O HETATM 1449 O HOH 9 38.078 -53.072 10.399 1.00 40.21 O HETATM 1450 O HOH 10 10.800 -46.116 7.200 1.00 56.64 O HETATM 1451 O HOH 11 38.106 -53.639 13.422 1.00 62.00 O HETATM 1452 O HOH 12 13.255 -50.834 13.365 1.00 29.81 O HETATM 1453 O HOH 13 16.618 -39.168 10.701 1.00 28.37 O HETATM 1454 O HOH 14 20.070 -51.608 3.263 1.00 52.13 O HETATM 1455 O HOH 15 25.668 -42.667 4.412 1.00 37.75 O HETATM 1456 O HOH 16 16.118 -51.689 12.721 1.00 47.69 O HETATM 1457 O HOH 17 24.506 -41.486 24.234 1.00 34.15 O HETATM 1458 O HOH 18 16.330 -52.054 7.883 1.00 35.03 O HETATM 1459 O HOH 19 14.451 -50.173 10.019 1.00 28.95 O HETATM 1460 O HOH 20 10.552 -42.595 10.650 1.00 20.22 O HETATM 1461 O HOH 21 14.066 -41.705 21.660 1.00 51.60 O HETATM 1462 O HOH 22 23.402 -40.583 22.053 1.00 21.69 O HETATM 1463 O HOH 23 15.586 -52.582 9.773 1.00 37.09 O HETATM 1464 O HOH 24 24.047 -40.980 6.763 1.00 28.32 O HETATM 1465 O HOH 25 35.992 -53.562 15.706 1.00 56.98 O HETATM 1466 O HOH 26 26.650 -51.749 24.656 1.00 43.16 O HETATM 1467 O HOH 27 39.341 -43.373 -0.279 1.00 55.28 O HETATM 1468 O HOH 28 4.441 -48.775 21.706 1.00 62.79 O HETATM 1469 O HOH 29 14.234 -45.175 22.163 1.00 70.62 O HETATM 1470 O HOH 30 38.537 -41.325 -2.233 1.00 72.07 O HETATM 1471 O HOH 31 19.955 -49.900 5.081 1.00 25.67 O HETATM 1472 O HOH 32 6.202 -52.912 19.961 1.00 28.30 O HETATM 1473 O HOH 33 35.971 -46.112 4.485 1.00 44.69 O HETATM 1474 O HOH 34 21.330 -40.141 7.993 1.00 56.18 O HETATM 1475 O HOH 35 36.082 -38.604 -2.398 1.00 64.67 O HETATM 1476 O HOH 36 8.220 -48.365 10.643 1.00 32.28 O HETATM 1477 O HOH 37 29.782 -60.003 23.993 1.00 64.57 O HETATM 1478 O HOH 38 38.313 -51.577 6.326 1.00 80.22 O HETATM 1479 O HOH 39 16.946 -44.919 5.505 1.00 48.69 O HETATM 1480 O HOH 40 13.360 -53.740 12.768 1.00 59.57 O HETATM 1481 O HOH 41 15.866 -49.743 5.826 1.00 52.12 O HETATM 1482 O HOH 42 9.590 -47.799 9.028 1.00 39.99 O HETATM 1483 O HOH 43 38.381 -47.426 9.350 1.00 37.12 O HETATM 1484 O HOH 44 19.983 -42.563 5.685 1.00 55.70 O HETATM 1485 O HOH 45 14.592 -57.804 11.906 1.00 60.90 O HETATM 1486 O HOH 46 38.651 -48.786 6.727 1.00 70.50 O HETATM 1487 O HOH 47 7.519 -47.946 6.475 1.00 61.58 O HETATM 1488 O HOH 48 32.314 -32.457 20.556 1.00 51.53 O HETATM 1489 O HOH 49 16.736 -33.354 27.170 1.00 67.22 O HETATM 1490 O HOH 50 14.825 -48.544 3.046 1.00 57.31 O HETATM 1491 O HOH 51 31.949 -34.050 22.248 1.00 63.08 O HETATM 1492 O HOH 52 34.444 -49.100 16.853 1.00 46.01 O HETATM 1493 O HOH 53 34.912 -45.046 30.517 1.00 60.77 O HETATM 1494 O HOH 54 11.468 -56.805 14.812 1.00 69.01 O HETATM 1495 O HOH 55 32.887 -34.378 25.534 1.00 64.99 O HETATM 1496 O HOH 56 7.629 -46.344 12.330 1.00 28.50 O HETATM 1497 O HOH 57 35.648 -40.941 30.615 1.00 50.93 O HETATM 1498 O HOH 58 24.682 -40.450 3.557 1.00 55.43 O HETATM 1499 O HOH 59 26.799 -39.025 23.176 1.00 41.42 O HETATM 1500 O HOH 60 25.391 -43.800 2.170 1.00 56.79 O HETATM 1501 O HOH 61 27.070 -35.720 16.772 1.00 64.97 O HETATM 1502 O HOH 62 23.567 -52.015 25.999 1.00 51.75 O HETATM 1503 O HOH 63 5.934 -50.839 21.535 1.00 75.57 O HETATM 1504 O HOH 64 35.127 -52.471 22.366 1.00 77.05 O HETATM 1505 O HOH 65 38.337 -42.258 3.836 1.00 75.98 O HETATM 1506 O HOH 66 20.630 -65.658 19.992 1.00 73.38 O HETATM 1507 O HOH 67 18.229 -43.173 0.904 1.00 72.57 O HETATM 1508 O HOH 68 34.889 -36.416 0.086 1.00 45.60 O HETATM 1509 O HOH 69 14.980 -47.293 6.429 1.00 71.22 O HETATM 1510 O HOH 70 40.719 -53.360 9.634 1.00 78.27 O HETATM 1511 O HOH 71 19.722 -33.670 21.019 1.00 66.85 O HETATM 1512 O HOH 72 10.839 -44.354 21.701 1.00 55.51 O HETATM 1513 O HOH 73 37.074 -50.003 27.929 1.00 77.60 O HETATM 1514 O HOH 74 8.438 -47.469 21.314 1.00 72.20 O HETATM 1515 O HOH 75 39.370 -49.516 9.970 1.00 58.32 O HETATM 1516 O HOH 76 14.582 -59.881 18.588 1.00 62.81 O HETATM 1517 O HOH 77 14.120 -62.772 19.975 1.00 66.83 O HETATM 1518 O HOH 78 38.299 -51.318 16.349 1.00 75.94 O HETATM 1519 O HOH 79 11.255 -59.505 20.978 1.00 56.04 O HETATM 1520 P UNN A 80 22.735 -47.696 -0.009 1.00 0.20 P HETATM 1521 O1P UNN A 80 23.902 -47.357 -0.732 1.00 -0.55 O HETATM 1522 O2P UNN A 80 21.581 -47.336 -0.748 1.00 -0.55 O HETATM 1523 O3P UNN A 80 22.766 -49.144 -0.188 1.00 -0.55 O HETATM 1524 O2 UNN A 80 22.690 -47.580 1.480 1.00 -0.26 O HETATM 1525 C2 UNN A 80 22.652 -46.438 2.227 1.00 0.17 C HETATM 1526 C3 UNN A 80 21.250 -45.808 2.267 1.00 0.12 C HETATM 1527 C4 UNN A 80 20.846 -45.740 3.710 1.00 0.11 C HETATM 1528 C5 UNN A 80 19.552 -46.433 4.158 1.00 0.07 C HETATM 1529 O5 UNN A 80 19.627 -47.852 3.931 1.00 -0.39 O HETATM 1530 H1 UNN A 80 20.355 -48.212 4.424 1.00 0.21 H HETATM 1531 H2 UNN A 80 19.396 -46.247 5.231 1.00 0.06 H HETATM 1532 H3 UNN A 80 18.706 -46.021 3.588 1.00 0.06 H HETATM 1533 O4 UNN A 80 21.899 -46.405 4.461 1.00 -0.34 O HETATM 1534 C1 UNN A 80 23.055 -46.518 3.671 1.00 0.20 C HETATM 1535 N9 UNN A 80 23.829 -47.726 4.112 1.00 -0.21 N HETATM 1536 C8 UNN A 80 23.439 -48.979 4.507 1.00 0.10 C HETATM 1537 N7 UNN A 80 24.433 -49.759 4.781 1.00 -0.32 N HETATM 1538 C5 UNN A 80 25.567 -48.947 4.558 1.00 0.09 C HETATM 1539 C6 UNN A 80 26.963 -49.238 4.679 1.00 0.21 C HETATM 1540 O6 UNN A 80 27.442 -50.300 5.025 1.00 -0.41 O HETATM 1541 N1 UNN A 80 27.744 -48.112 4.413 1.00 -0.18 N HETATM 1542 C2 UNN A 80 27.289 -46.868 4.014 1.00 0.23 C HETATM 1543 N2 UNN A 80 28.231 -45.975 3.767 1.00 -0.28 N HETATM 1544 H11 UNN A 80 27.973 -45.025 3.465 1.00 0.19 H HETATM 1545 H12 UNN A 80 29.223 -46.229 3.877 1.00 0.19 H HETATM 1546 N3 UNN A 80 25.991 -46.607 3.868 1.00 -0.28 N HETATM 1547 C4 UNN A 80 25.210 -47.678 4.158 1.00 0.12 C HETATM 1548 H10 UNN A 80 28.733 -48.215 4.522 1.00 0.25 H HETATM 1549 H9 UNN A 80 22.397 -49.287 4.582 1.00 0.12 H HETATM 1550 H8 UNN A 80 23.696 -45.646 3.868 1.00 0.10 H HETATM 1551 H4 UNN A 80 20.779 -44.678 3.990 1.00 0.06 H HETATM 1552 O3 UNN A 80 21.568 -44.510 1.708 1.00 -0.39 O HETATM 1553 H6 UNN A 80 21.816 -44.611 0.797 1.00 0.21 H HETATM 1554 H5 UNN A 80 20.501 -46.351 1.672 1.00 0.07 H HETATM 1555 H7 UNN A 80 23.338 -45.735 1.733 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 1420 CONECT 117 18 116 CONECT 801 802 824 825 826 CONECT 824 801 CONECT 825 801 CONECT 826 801 CONECT 1420 75 1419 CONECT 1520 1521 1522 1523 1524 CONECT 1521 1520 CONECT 1522 1520 CONECT 1523 1520 CONECT 1524 1520 1525 CONECT 1525 1524 1526 1534 1555 CONECT 1526 1525 1527 1552 1554 CONECT 1527 1526 1528 1533 1551 CONECT 1528 1527 1529 1531 1532 CONECT 1529 1528 1530 CONECT 1530 1529 CONECT 1531 1528 CONECT 1532 1528 CONECT 1533 1527 1534 CONECT 1534 1525 1533 1535 1550 CONECT 1535 1534 1536 1547 CONECT 1536 1535 1537 1549 CONECT 1537 1536 1538 CONECT 1538 1537 1539 1547 CONECT 1539 1538 1540 1541 CONECT 1540 1539 CONECT 1541 1539 1542 1548 CONECT 1542 1541 1543 1546 CONECT 1543 1542 1544 1545 CONECT 1544 1543 CONECT 1545 1543 CONECT 1546 1542 1547 CONECT 1547 1535 1538 1546 CONECT 1548 1541 CONECT 1549 1536 CONECT 1550 1534 CONECT 1551 1527 CONECT 1552 1526 1553 CONECT 1553 1552 CONECT 1554 1526 CONECT 1555 1525 MASTER 0 0 0 0 0 0 0 0 1553 2 48 9 END
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Structure:
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Protein
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Related entries of code: 1det
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1b2m
RCSB PDB
PDBbind
104aa, >1B2M_2|Chains... *
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%
6rnt
RCSB PDB
PDBbind
104aa, >6RNT_1|Chain... at 99%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1rgl
RCSB PDB
PDBbind
2GP
1rnt
RCSB PDB
PDBbind
2GP
Entry Information
PDB ID
1det
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
ribonuclease T1
Ligand Name
2GP
EC.Number
E.C.3.1.27.3
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Kd=50uM
Release Year
1996
Protein/NA Sequence
Check fasta file
Primary Reference
Biochemistry v35 pp. 8329-34, 1996
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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times since Nov 2007.
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