Browse entries in the PDBbind-CN Database
HEADER 1RGL_COMPLEX COMPND 1RGL_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 GLN 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 187 36 SSBOND 1 CYS A 2 CYS A 10 SSBOND 2 CYS A 6 CYS A 103 ATOM 1 N ALA A 1 7.025 -5.465 16.358 1.00 21.67 N ATOM 2 CA ALA A 1 6.461 -4.685 15.265 1.00 20.25 C ATOM 3 C ALA A 1 7.179 -3.361 15.071 1.00 20.10 C ATOM 4 O ALA A 1 7.832 -2.849 15.982 1.00 23.46 O ATOM 5 CB ALA A 1 4.959 -4.481 15.425 1.00 22.15 C ATOM 6 HA ALA A 1 6.617 -5.270 14.359 1.00 0.00 H ATOM 7 HB1 ALA A 1 4.462 -5.451 15.444 1.00 0.00 H ATOM 8 HB2 ALA A 1 4.763 -3.952 16.358 1.00 0.00 H ATOM 9 HB3 ALA A 1 4.582 -3.894 14.587 1.00 0.00 H ATOM 10 HN3 ALA A 1 6.949 -4.924 17.243 1.00 0.00 H ATOM 11 HN2 ALA A 1 8.025 -5.667 16.158 1.00 0.00 H ATOM 12 HN1 ALA A 1 6.502 -6.359 16.451 1.00 0.00 H ATOM 13 N CYS A 2 7.051 -2.827 13.860 1.00 26.07 N ATOM 14 CA CYS A 2 7.684 -1.583 13.481 1.00 12.89 C ATOM 15 C CYS A 2 6.700 -0.433 13.416 1.00 23.54 C ATOM 16 O CYS A 2 5.647 -0.543 12.814 1.00 22.55 O ATOM 17 CB CYS A 2 8.302 -1.703 12.078 1.00 14.01 C ATOM 18 SG CYS A 2 9.291 -3.185 11.816 1.00 19.83 S ATOM 19 HA CYS A 2 8.438 -1.386 14.243 1.00 0.00 H ATOM 20 HB2 CYS A 2 8.940 -0.835 11.912 1.00 0.00 H ATOM 21 HB3 CYS A 2 7.492 -1.702 11.349 1.00 0.00 H ATOM 22 H CYS A 2 6.471 -3.325 13.155 1.00 0.00 H ATOM 23 N ASP A 3 7.056 0.686 14.021 1.00 12.63 N ATOM 24 CA ASP A 3 6.200 1.836 13.966 1.00 17.90 C ATOM 25 C ASP A 3 6.380 2.464 12.585 1.00 18.27 C ATOM 26 O ASP A 3 5.477 3.069 12.030 1.00 19.65 O ATOM 27 CB ASP A 3 6.573 2.808 15.085 1.00 21.92 C ATOM 28 CG ASP A 3 6.118 2.282 16.423 1.00 26.04 C ATOM 29 OD1 ASP A 3 4.974 1.987 16.646 1.00 26.10 O ATOM 30 OD2 ASP A 3 7.079 2.155 17.302 1.00 24.99 O ATOM 31 HA ASP A 3 5.154 1.568 14.112 1.00 0.00 H ATOM 32 HB2 ASP A 3 7.655 2.938 15.101 1.00 0.00 H ATOM 33 HB3 ASP A 3 6.096 3.770 14.897 1.00 0.00 H ATOM 34 H ASP A 3 7.957 0.733 14.538 1.00 0.00 H ATOM 35 N TYR A 4 7.587 2.285 12.038 1.00 19.38 N ATOM 36 CA TYR A 4 7.966 2.788 10.721 1.00 15.60 C ATOM 37 C TYR A 4 8.822 1.764 10.008 1.00 16.41 C ATOM 38 O TYR A 4 9.738 1.206 10.578 1.00 11.96 O ATOM 39 CB TYR A 4 8.780 4.114 10.806 1.00 19.27 C ATOM 40 CG TYR A 4 8.042 5.247 11.504 1.00 19.56 C ATOM 41 CD1 TYR A 4 7.177 6.070 10.782 1.00 25.21 C ATOM 42 CD2 TYR A 4 8.201 5.490 12.868 1.00 22.74 C ATOM 43 CE1 TYR A 4 6.476 7.112 11.393 1.00 18.25 C ATOM 44 CE2 TYR A 4 7.513 6.528 13.494 1.00 15.57 C ATOM 45 CZ TYR A 4 6.648 7.339 12.756 1.00 18.81 C ATOM 46 OH TYR A 4 5.976 8.373 13.359 1.00 33.24 O ATOM 47 HA TYR A 4 7.040 2.978 10.178 1.00 0.00 H ATOM 48 HB3 TYR A 4 9.021 4.434 9.793 1.00 0.00 H ATOM 49 HB2 TYR A 4 9.702 3.917 11.353 1.00 0.00 H ATOM 50 HD2 TYR A 4 8.872 4.860 13.452 1.00 0.00 H ATOM 51 HE2 TYR A 4 7.650 6.707 14.560 1.00 0.00 H ATOM 52 HE1 TYR A 4 5.802 7.740 10.810 1.00 0.00 H ATOM 53 HD1 TYR A 4 7.045 5.895 9.714 1.00 0.00 H ATOM 54 HH TYR A 4 5.403 8.015 14.082 1.00 0.00 H ATOM 55 H TYR A 4 8.298 1.756 12.583 1.00 0.00 H ATOM 56 N THR A 5 8.539 1.525 8.748 1.00 12.53 N ATOM 57 CA THR A 5 9.329 0.584 7.979 1.00 14.59 C ATOM 58 C THR A 5 9.867 1.290 6.751 1.00 16.15 C ATOM 59 O THR A 5 9.084 1.763 5.937 1.00 17.55 O ATOM 60 CB THR A 5 8.505 -0.664 7.545 1.00 26.28 C ATOM 61 OG1 THR A 5 7.790 -1.201 8.635 1.00 21.38 O ATOM 62 CG2 THR A 5 9.433 -1.726 6.982 1.00 28.12 C ATOM 63 HA THR A 5 10.143 0.229 8.611 1.00 0.00 H ATOM 64 HB THR A 5 7.794 -0.351 6.780 1.00 0.00 H ATOM 65 HG1 THR A 5 7.168 -0.517 8.990 1.00 0.00 H ATOM 66 HG23 THR A 5 9.987 -1.313 6.139 1.00 0.00 H ATOM 67 HG21 THR A 5 10.131 -2.044 7.756 1.00 0.00 H ATOM 68 HG22 THR A 5 8.845 -2.581 6.648 1.00 0.00 H ATOM 69 H THR A 5 7.740 2.016 8.298 1.00 0.00 H ATOM 70 N CYS A 6 11.187 1.379 6.651 1.00 11.36 N ATOM 71 CA CYS A 6 11.859 2.028 5.531 1.00 13.43 C ATOM 72 C CYS A 6 12.562 0.953 4.738 1.00 17.01 C ATOM 73 O CYS A 6 13.638 0.548 5.121 1.00 14.51 O ATOM 74 CB CYS A 6 12.884 3.060 6.036 1.00 11.38 C ATOM 75 SG CYS A 6 12.157 4.355 7.065 1.00 16.65 S ATOM 76 HA CYS A 6 11.132 2.555 4.913 1.00 0.00 H ATOM 77 HB2 CYS A 6 13.356 3.529 5.173 1.00 0.00 H ATOM 78 HB3 CYS A 6 13.640 2.537 6.622 1.00 0.00 H ATOM 79 H CYS A 6 11.770 0.966 7.407 1.00 0.00 H ATOM 80 N GLY A 7 11.928 0.475 3.657 1.00 16.72 N ATOM 81 CA GLY A 7 12.492 -0.602 2.854 1.00 17.08 C ATOM 82 C GLY A 7 12.482 -1.821 3.765 1.00 11.42 C ATOM 83 O GLY A 7 11.421 -2.305 4.160 1.00 20.68 O ATOM 84 HA3 GLY A 7 13.510 -0.360 2.549 1.00 0.00 H ATOM 85 HA2 GLY A 7 11.881 -0.780 1.969 1.00 0.00 H ATOM 86 H GLY A 7 11.011 0.883 3.385 1.00 0.00 H ATOM 87 N SER A 8 13.666 -2.293 4.163 1.00 20.84 N ATOM 88 CA SER A 8 13.720 -3.407 5.084 1.00 32.52 C ATOM 89 C SER A 8 14.054 -2.969 6.513 1.00 31.13 C ATOM 90 O SER A 8 14.114 -3.794 7.410 1.00 28.53 O ATOM 91 CB SER A 8 14.559 -4.607 4.655 1.00 24.91 C ATOM 92 OG SER A 8 15.427 -4.324 3.589 1.00 34.22 O ATOM 93 HA SER A 8 12.698 -3.784 5.063 1.00 0.00 H ATOM 94 HB2 SER A 8 13.886 -5.409 4.351 1.00 0.00 H ATOM 95 HB3 SER A 8 15.153 -4.937 5.507 1.00 0.00 H ATOM 96 HG SER A 8 15.941 -5.138 3.358 1.00 0.00 H ATOM 97 H SER A 8 14.545 -1.862 3.812 1.00 0.00 H ATOM 98 N ASN A 9 14.260 -1.669 6.733 1.00 23.39 N ATOM 99 CA ASN A 9 14.583 -1.150 8.054 1.00 14.51 C ATOM 100 C ASN A 9 13.341 -0.925 8.919 1.00 11.29 C ATOM 101 O ASN A 9 12.364 -0.319 8.506 1.00 22.02 O ATOM 102 CB ASN A 9 15.416 0.126 7.941 1.00 13.11 C ATOM 103 CG ASN A 9 16.741 -0.165 7.302 1.00 11.88 C ATOM 104 OD1 ASN A 9 17.208 -1.305 7.376 1.00 18.19 O ATOM 105 ND2 ASN A 9 17.349 0.843 6.668 1.00 11.70 N ATOM 106 HA ASN A 9 15.177 -1.911 8.560 1.00 0.00 H ATOM 107 HB2 ASN A 9 14.877 0.854 7.334 1.00 0.00 H ATOM 108 HB3 ASN A 9 15.581 0.536 8.937 1.00 0.00 H ATOM 109 HD22 ASN A 9 16.905 1.783 6.640 1.00 0.00 H ATOM 110 HD21 ASN A 9 18.266 0.687 6.203 1.00 0.00 H ATOM 111 H ASN A 9 14.187 -1.006 5.935 1.00 0.00 H ATOM 112 N CYS A 10 13.424 -1.409 10.139 1.00 13.91 N ATOM 113 CA CYS A 10 12.364 -1.340 11.136 1.00 17.31 C ATOM 114 C CYS A 10 12.724 -0.385 12.274 1.00 19.11 C ATOM 115 O CYS A 10 13.774 -0.496 12.910 1.00 17.02 O ATOM 116 CB CYS A 10 12.146 -2.777 11.651 1.00 20.68 C ATOM 117 SG CYS A 10 10.915 -2.922 12.936 1.00 17.25 S ATOM 118 HA CYS A 10 11.448 -0.945 10.697 1.00 0.00 H ATOM 119 HB2 CYS A 10 13.094 -3.146 12.043 1.00 0.00 H ATOM 120 HB3 CYS A 10 11.836 -3.397 10.810 1.00 0.00 H ATOM 121 H CYS A 10 14.312 -1.876 10.412 1.00 0.00 H ATOM 122 N TYR A 11 11.851 0.580 12.519 1.00 18.41 N ATOM 123 CA TYR A 11 12.104 1.551 13.554 1.00 16.31 C ATOM 124 C TYR A 11 10.959 1.655 14.518 1.00 14.14 C ATOM 125 O TYR A 11 9.789 1.599 14.132 1.00 17.99 O ATOM 126 CB TYR A 11 12.315 2.972 12.943 1.00 11.69 C ATOM 127 CG TYR A 11 13.516 3.072 12.030 1.00 20.67 C ATOM 128 CD1 TYR A 11 14.812 3.004 12.540 1.00 11.00 C ATOM 129 CD2 TYR A 11 13.355 3.245 10.653 1.00 16.48 C ATOM 130 CE1 TYR A 11 15.937 3.044 11.714 1.00 7.39 C ATOM 131 CE2 TYR A 11 14.466 3.272 9.813 1.00 11.92 C ATOM 132 CZ TYR A 11 15.755 3.197 10.342 1.00 15.58 C ATOM 133 OH TYR A 11 16.858 3.316 9.522 1.00 20.55 O ATOM 134 HA TYR A 11 12.999 1.210 14.074 1.00 0.00 H ATOM 135 HB3 TYR A 11 12.444 3.682 13.760 1.00 0.00 H ATOM 136 HB2 TYR A 11 11.425 3.236 12.371 1.00 0.00 H ATOM 137 HD2 TYR A 11 12.355 3.359 10.234 1.00 0.00 H ATOM 138 HE2 TYR A 11 14.327 3.352 8.735 1.00 0.00 H ATOM 139 HE1 TYR A 11 16.939 2.957 12.135 1.00 0.00 H ATOM 140 HD1 TYR A 11 14.951 2.917 13.618 1.00 0.00 H ATOM 141 HH TYR A 11 16.841 2.597 8.842 1.00 0.00 H ATOM 142 H TYR A 11 10.976 0.638 11.960 1.00 0.00 H ATOM 143 N SER A 12 11.299 1.829 15.780 1.00 11.12 N ATOM 144 CA SER A 12 10.259 2.020 16.766 1.00 15.39 C ATOM 145 C SER A 12 10.125 3.531 16.961 1.00 22.18 C ATOM 146 O SER A 12 10.967 4.301 16.498 1.00 12.42 O ATOM 147 CB SER A 12 10.637 1.378 18.086 1.00 19.95 C ATOM 148 OG SER A 12 11.688 2.120 18.642 1.00 14.66 O ATOM 149 HA SER A 12 9.328 1.563 16.432 1.00 0.00 H ATOM 150 HB2 SER A 12 10.957 0.350 17.919 1.00 0.00 H ATOM 151 HB3 SER A 12 9.781 1.386 18.760 1.00 0.00 H ATOM 152 HG SER A 12 11.952 1.718 19.507 1.00 0.00 H ATOM 153 H SER A 12 12.300 1.829 16.062 1.00 0.00 H ATOM 154 N SER A 13 9.081 3.962 17.658 1.00 20.35 N ATOM 155 CA SER A 13 8.881 5.380 17.942 1.00 18.64 C ATOM 156 C SER A 13 10.059 5.960 18.729 1.00 21.78 C ATOM 157 O SER A 13 10.455 7.113 18.538 1.00 15.18 O ATOM 158 CB SER A 13 7.557 5.647 18.653 1.00 21.74 C ATOM 159 OG SER A 13 6.504 5.437 17.734 1.00 37.38 O ATOM 160 HA SER A 13 8.833 5.891 16.980 1.00 0.00 H ATOM 161 HB2 SER A 13 7.533 6.676 19.011 1.00 0.00 H ATOM 162 HB3 SER A 13 7.449 4.967 19.498 1.00 0.00 H ATOM 163 HG SER A 13 6.532 4.502 17.410 1.00 0.00 H ATOM 164 H SER A 13 8.388 3.272 18.011 1.00 0.00 H ATOM 165 N SER A 14 10.631 5.152 19.627 1.00 16.90 N ATOM 166 CA SER A 14 11.782 5.585 20.420 1.00 14.14 C ATOM 167 C SER A 14 13.009 5.872 19.542 1.00 18.22 C ATOM 168 O SER A 14 13.792 6.764 19.818 1.00 17.01 O ATOM 169 CB SER A 14 12.147 4.609 21.525 1.00 23.23 C ATOM 170 OG SER A 14 12.414 3.356 20.938 1.00 20.69 O ATOM 171 HA SER A 14 11.470 6.514 20.897 1.00 0.00 H ATOM 172 HB2 SER A 14 11.317 4.519 22.226 1.00 0.00 H ATOM 173 HB3 SER A 14 13.031 4.965 22.054 1.00 0.00 H ATOM 174 HG SER A 14 13.166 3.445 20.301 1.00 0.00 H ATOM 175 H SER A 14 10.250 4.194 19.765 1.00 0.00 H ATOM 176 N ASP A 15 13.178 5.116 18.465 1.00 18.65 N ATOM 177 CA ASP A 15 14.308 5.344 17.578 1.00 13.26 C ATOM 178 C ASP A 15 14.192 6.713 16.889 1.00 15.85 C ATOM 179 O ASP A 15 15.168 7.425 16.734 1.00 19.89 O ATOM 180 CB ASP A 15 14.270 4.311 16.452 1.00 14.36 C ATOM 181 CG ASP A 15 14.778 2.970 16.869 1.00 13.40 C ATOM 182 OD1 ASP A 15 15.715 2.832 17.625 1.00 20.26 O ATOM 183 OD2 ASP A 15 14.103 1.997 16.316 1.00 16.43 O ATOM 184 HA ASP A 15 15.218 5.284 18.175 1.00 0.00 H ATOM 185 HB2 ASP A 15 13.239 4.202 16.115 1.00 0.00 H ATOM 186 HB3 ASP A 15 14.884 4.674 15.627 1.00 0.00 H ATOM 187 H ASP A 15 12.499 4.357 18.254 1.00 0.00 H ATOM 188 N VAL A 16 12.972 7.033 16.464 1.00 11.77 N ATOM 189 CA VAL A 16 12.629 8.270 15.772 1.00 12.77 C ATOM 190 C VAL A 16 12.824 9.471 16.710 1.00 17.52 C ATOM 191 O VAL A 16 13.373 10.514 16.339 1.00 21.25 O ATOM 192 CB VAL A 16 11.222 8.138 15.186 1.00 14.51 C ATOM 193 CG1 VAL A 16 10.661 9.462 14.663 1.00 22.01 C ATOM 194 CG2 VAL A 16 11.231 7.112 14.061 1.00 13.14 C ATOM 195 HA VAL A 16 13.297 8.453 14.931 1.00 0.00 H ATOM 196 HB VAL A 16 10.571 7.815 15.998 1.00 0.00 H ATOM 197 HG11 VAL A 16 10.612 10.182 15.480 1.00 0.00 H ATOM 198 HG12 VAL A 16 11.311 9.845 13.877 1.00 0.00 H ATOM 199 HG13 VAL A 16 9.661 9.298 14.261 1.00 0.00 H ATOM 200 HG21 VAL A 16 11.920 7.436 13.281 1.00 0.00 H ATOM 201 HG22 VAL A 16 11.552 6.147 14.453 1.00 0.00 H ATOM 202 HG23 VAL A 16 10.227 7.021 13.646 1.00 0.00 H ATOM 203 H VAL A 16 12.207 6.351 16.638 1.00 0.00 H ATOM 204 N SER A 17 12.388 9.296 17.958 1.00 12.44 N ATOM 205 CA SER A 17 12.523 10.321 18.986 1.00 22.88 C ATOM 206 C SER A 17 13.958 10.641 19.324 1.00 22.03 C ATOM 207 O SER A 17 14.341 11.790 19.510 1.00 20.62 O ATOM 208 CB SER A 17 11.848 9.886 20.264 1.00 26.24 C ATOM 209 OG SER A 17 10.480 10.121 20.103 1.00 29.73 O ATOM 210 HA SER A 17 12.053 11.211 18.568 1.00 0.00 H ATOM 211 HB2 SER A 17 12.231 10.463 21.105 1.00 0.00 H ATOM 212 HB3 SER A 17 12.028 8.826 20.441 1.00 0.00 H ATOM 213 HG SER A 17 10.000 9.847 20.925 1.00 0.00 H ATOM 214 H SER A 17 11.934 8.394 18.208 1.00 0.00 H ATOM 215 N THR A 18 14.763 9.606 19.434 1.00 20.48 N ATOM 216 CA THR A 18 16.163 9.790 19.756 1.00 17.54 C ATOM 217 C THR A 18 16.874 10.498 18.624 1.00 16.95 C ATOM 218 O THR A 18 17.671 11.394 18.863 1.00 19.16 O ATOM 219 CB THR A 18 16.808 8.437 20.077 1.00 13.14 C ATOM 220 OG1 THR A 18 16.102 7.868 21.156 1.00 15.79 O ATOM 221 CG2 THR A 18 18.278 8.594 20.420 1.00 12.74 C ATOM 222 HA THR A 18 16.251 10.420 20.641 1.00 0.00 H ATOM 223 HB THR A 18 16.756 7.787 19.204 1.00 0.00 H ATOM 224 HG1 THR A 18 16.500 6.991 21.383 1.00 0.00 H ATOM 225 HG23 THR A 18 18.802 9.035 19.572 1.00 0.00 H ATOM 226 HG21 THR A 18 18.380 9.243 21.290 1.00 0.00 H ATOM 227 HG22 THR A 18 18.704 7.616 20.644 1.00 0.00 H ATOM 228 H THR A 18 14.390 8.646 19.288 1.00 0.00 H ATOM 229 N ALA A 19 16.574 10.091 17.390 1.00 13.83 N ATOM 230 CA ALA A 19 17.177 10.692 16.208 1.00 26.96 C ATOM 231 C ALA A 19 16.769 12.162 16.074 1.00 12.37 C ATOM 232 O ALA A 19 17.606 13.050 15.867 1.00 17.60 O ATOM 233 CB ALA A 19 16.769 9.908 14.972 1.00 13.14 C ATOM 234 HA ALA A 19 18.262 10.656 16.310 1.00 0.00 H ATOM 235 HB1 ALA A 19 17.110 8.877 15.068 1.00 0.00 H ATOM 236 HB2 ALA A 19 15.684 9.926 14.874 1.00 0.00 H ATOM 237 HB3 ALA A 19 17.222 10.361 14.090 1.00 0.00 H ATOM 238 H ALA A 19 15.887 9.320 17.268 1.00 0.00 H ATOM 239 N GLN A 20 15.465 12.409 16.198 1.00 15.05 N ATOM 240 CA GLN A 20 14.943 13.761 16.104 1.00 16.12 C ATOM 241 C GLN A 20 15.573 14.688 17.127 1.00 18.69 C ATOM 242 O GLN A 20 15.931 15.812 16.831 1.00 20.00 O ATOM 243 CB GLN A 20 13.426 13.797 16.271 1.00 12.59 C ATOM 244 CG GLN A 20 12.875 15.229 16.157 1.00 14.38 C ATOM 245 CD GLN A 20 11.379 15.219 16.375 1.00 21.53 C ATOM 246 OE1 GLN A 20 10.733 14.173 16.225 1.00 26.54 O ATOM 247 NE2 GLN A 20 10.822 16.364 16.739 1.00 22.54 N ATOM 248 HA GLN A 20 15.201 14.110 15.104 1.00 0.00 H ATOM 249 HB2 GLN A 20 12.970 13.180 15.497 1.00 0.00 H ATOM 250 HB3 GLN A 20 13.169 13.396 17.251 1.00 0.00 H ATOM 251 HG2 GLN A 20 13.347 15.860 16.910 1.00 0.00 H ATOM 252 HG3 GLN A 20 13.094 15.624 15.165 1.00 0.00 H ATOM 253 HE22 GLN A 20 11.409 17.215 16.851 1.00 0.00 H ATOM 254 HE21 GLN A 20 9.798 16.412 16.912 1.00 0.00 H ATOM 255 H GLN A 20 14.809 11.619 16.365 1.00 0.00 H ATOM 256 N ALA A 21 15.717 14.201 18.343 1.00 15.56 N ATOM 257 CA ALA A 21 16.301 14.994 19.384 1.00 11.42 C ATOM 258 C ALA A 21 17.709 15.424 19.079 1.00 23.42 C ATOM 259 O ALA A 21 18.107 16.531 19.392 1.00 14.05 O ATOM 260 CB ALA A 21 16.300 14.245 20.693 1.00 16.29 C ATOM 261 HA ALA A 21 15.682 15.889 19.456 1.00 0.00 H ATOM 262 HB1 ALA A 21 15.274 14.001 20.970 1.00 0.00 H ATOM 263 HB2 ALA A 21 16.877 13.326 20.585 1.00 0.00 H ATOM 264 HB3 ALA A 21 16.748 14.868 21.467 1.00 0.00 H ATOM 265 H ALA A 21 15.404 13.231 18.549 1.00 0.00 H ATOM 266 N ALA A 22 18.478 14.530 18.498 1.00 17.08 N ATOM 267 CA ALA A 22 19.851 14.820 18.189 1.00 22.97 C ATOM 268 C ALA A 22 19.968 15.818 17.073 1.00 22.04 C ATOM 269 O ALA A 22 20.771 16.749 17.150 1.00 19.49 O ATOM 270 CB ALA A 22 20.619 13.538 17.870 1.00 18.27 C ATOM 271 HA ALA A 22 20.301 15.271 19.073 1.00 0.00 H ATOM 272 HB1 ALA A 22 20.586 12.872 18.732 1.00 0.00 H ATOM 273 HB2 ALA A 22 20.162 13.046 17.011 1.00 0.00 H ATOM 274 HB3 ALA A 22 21.655 13.785 17.640 1.00 0.00 H ATOM 275 H ALA A 22 18.086 13.597 18.258 1.00 0.00 H ATOM 276 N GLY A 23 19.177 15.597 16.025 1.00 14.07 N ATOM 277 CA GLY A 23 19.192 16.477 14.878 1.00 16.71 C ATOM 278 C GLY A 23 18.719 17.883 15.247 1.00 15.13 C ATOM 279 O GLY A 23 19.288 18.873 14.799 1.00 17.20 O ATOM 280 HA3 GLY A 23 18.533 16.071 14.111 1.00 0.00 H ATOM 281 HA2 GLY A 23 20.208 16.535 14.489 1.00 0.00 H ATOM 282 H GLY A 23 18.537 14.777 16.032 1.00 0.00 H ATOM 283 N TYR A 24 17.680 17.967 16.072 1.00 15.88 N ATOM 284 CA TYR A 24 17.167 19.259 16.468 1.00 12.17 C ATOM 285 C TYR A 24 18.177 20.084 17.256 1.00 22.09 C ATOM 286 O TYR A 24 18.299 21.297 17.101 1.00 20.12 O ATOM 287 CB TYR A 24 15.802 19.228 17.177 1.00 12.60 C ATOM 288 CG TYR A 24 15.218 20.628 17.159 1.00 19.62 C ATOM 289 CD1 TYR A 24 14.576 21.088 16.007 1.00 12.58 C ATOM 290 CD2 TYR A 24 15.349 21.490 18.255 1.00 17.65 C ATOM 291 CE1 TYR A 24 14.045 22.376 15.946 1.00 13.98 C ATOM 292 CE2 TYR A 24 14.826 22.786 18.209 1.00 17.40 C ATOM 293 CZ TYR A 24 14.174 23.219 17.052 1.00 16.85 C ATOM 294 OH TYR A 24 13.664 24.485 16.991 1.00 23.09 O ATOM 295 HA TYR A 24 16.991 19.762 15.517 1.00 0.00 H ATOM 296 HB3 TYR A 24 15.930 18.896 18.207 1.00 0.00 H ATOM 297 HB2 TYR A 24 15.132 18.543 16.656 1.00 0.00 H ATOM 298 HD2 TYR A 24 15.864 21.147 19.153 1.00 0.00 H ATOM 299 HE2 TYR A 24 14.926 23.451 19.067 1.00 0.00 H ATOM 300 HE1 TYR A 24 13.536 22.721 15.046 1.00 0.00 H ATOM 301 HD1 TYR A 24 14.489 20.430 15.142 1.00 0.00 H ATOM 302 HH TYR A 24 13.239 24.626 16.108 1.00 0.00 H ATOM 303 H TYR A 24 17.235 17.100 16.434 1.00 0.00 H ATOM 304 N LYS A 25 18.911 19.415 18.122 1.00 18.91 N ATOM 305 CA LYS A 25 19.908 20.086 18.927 1.00 12.12 C ATOM 306 C LYS A 25 20.976 20.710 18.049 1.00 15.07 C ATOM 307 O LYS A 25 21.361 21.856 18.245 1.00 19.87 O ATOM 308 CB LYS A 25 20.524 19.125 19.931 1.00 15.68 C ATOM 309 CG LYS A 25 21.770 19.700 20.535 1.00 33.70 C ATOM 310 CD LYS A 25 21.489 21.026 21.207 1.00 42.08 C ATOM 311 CE LYS A 25 22.201 21.107 22.539 1.00 60.00 C ATOM 312 NZ LYS A 25 23.389 20.231 22.588 1.00 60.00 N ATOM 313 HA LYS A 25 19.417 20.886 19.482 1.00 0.00 H ATOM 314 HB2 LYS A 25 19.802 18.927 20.724 1.00 0.00 H ATOM 315 HB3 LYS A 25 20.771 18.192 19.425 1.00 0.00 H ATOM 316 HG2 LYS A 25 22.162 19.002 21.275 1.00 0.00 H ATOM 317 HG3 LYS A 25 22.511 19.849 19.749 1.00 0.00 H ATOM 318 HD2 LYS A 25 21.837 21.835 20.564 1.00 0.00 H ATOM 319 HD3 LYS A 25 20.416 21.127 21.367 1.00 0.00 H ATOM 320 HE2 LYS A 25 21.510 20.807 23.326 1.00 0.00 H ATOM 321 HE3 LYS A 25 22.516 22.137 22.707 1.00 0.00 H ATOM 322 HZ1 LYS A 25 23.097 19.244 22.435 1.00 0.00 H ATOM 323 HZ2 LYS A 25 24.058 20.515 21.844 1.00 0.00 H ATOM 324 HZ3 LYS A 25 23.845 20.319 23.519 1.00 0.00 H ATOM 325 H LYS A 25 18.771 18.390 18.228 1.00 0.00 H ATOM 326 N LEU A 26 21.454 19.947 17.057 1.00 17.78 N ATOM 327 CA LEU A 26 22.473 20.446 16.143 1.00 14.71 C ATOM 328 C LEU A 26 21.931 21.691 15.479 1.00 9.33 C ATOM 329 O LEU A 26 22.635 22.674 15.341 1.00 14.81 O ATOM 330 CB LEU A 26 22.830 19.432 15.031 1.00 13.55 C ATOM 331 CG LEU A 26 24.039 18.510 15.268 1.00 23.27 C ATOM 332 CD1 LEU A 26 24.887 18.906 16.458 1.00 28.64 C ATOM 333 CD2 LEU A 26 23.587 17.074 15.411 1.00 39.90 C ATOM 334 HA LEU A 26 23.376 20.636 16.723 1.00 0.00 H ATOM 335 HB2 LEU A 26 21.959 18.795 14.878 1.00 0.00 H ATOM 336 HB3 LEU A 26 23.026 20.000 14.122 1.00 0.00 H ATOM 337 HG LEU A 26 24.674 18.618 14.388 1.00 0.00 H ATOM 338 HD21 LEU A 26 22.906 16.992 16.258 1.00 0.00 H ATOM 339 HD22 LEU A 26 23.076 16.763 14.500 1.00 0.00 H ATOM 340 HD23 LEU A 26 24.455 16.436 15.578 1.00 0.00 H ATOM 341 HD11 LEU A 26 25.273 19.914 16.308 1.00 0.00 H ATOM 342 HD12 LEU A 26 24.278 18.880 17.361 1.00 0.00 H ATOM 343 HD13 LEU A 26 25.718 18.208 16.558 1.00 0.00 H ATOM 344 H LEU A 26 21.091 18.980 16.937 1.00 0.00 H ATOM 345 N HIS A 27 20.658 21.621 15.071 1.00 14.29 N ATOM 346 CA HIS A 27 19.980 22.736 14.405 1.00 20.60 C ATOM 347 C HIS A 27 19.961 24.016 15.248 1.00 20.83 C ATOM 348 O HIS A 27 20.228 25.116 14.760 1.00 12.66 O ATOM 349 CB HIS A 27 18.577 22.326 13.913 1.00 19.60 C ATOM 350 CG HIS A 27 17.794 23.463 13.325 1.00 13.58 C ATOM 351 ND1 HIS A 27 18.105 23.997 12.086 1.00 26.63 N ATOM 352 CD2 HIS A 27 16.725 24.137 13.819 1.00 18.17 C ATOM 353 CE1 HIS A 27 17.239 24.973 11.860 1.00 19.74 C ATOM 354 NE2 HIS A 27 16.398 25.081 12.878 1.00 19.01 N ATOM 355 HA HIS A 27 20.571 22.983 13.523 1.00 0.00 H ATOM 356 HB2 HIS A 27 18.690 21.554 13.152 1.00 0.00 H ATOM 357 HB3 HIS A 27 18.019 21.923 14.758 1.00 0.00 H ATOM 358 HD2 HIS A 27 16.226 23.963 14.772 1.00 0.00 H ATOM 359 HE1 HIS A 27 17.221 25.597 10.966 1.00 0.00 H ATOM 360 H HIS A 27 20.129 20.740 15.233 1.00 0.00 H ATOM 361 N GLU A 28 19.643 23.870 16.538 1.00 14.63 N ATOM 362 CA GLU A 28 19.614 25.003 17.432 1.00 18.97 C ATOM 363 C GLU A 28 21.015 25.582 17.581 1.00 13.12 C ATOM 364 O GLU A 28 21.215 26.798 17.700 1.00 16.36 O ATOM 365 CB GLU A 28 19.140 24.599 18.837 1.00 16.92 C ATOM 366 CG GLU A 28 17.639 24.317 19.004 1.00 22.62 C ATOM 367 CD GLU A 28 17.303 23.897 20.428 1.00 30.28 C ATOM 368 OE1 GLU A 28 18.274 23.242 21.017 1.00 34.05 O ATOM 369 OE2 GLU A 28 16.247 24.155 20.981 1.00 30.44 O ATOM 370 HA GLU A 28 18.925 25.731 17.004 1.00 0.00 H ATOM 371 HB2 GLU A 28 19.680 23.696 19.121 1.00 0.00 H ATOM 372 HB3 GLU A 28 19.403 25.407 19.520 1.00 0.00 H ATOM 373 HG2 GLU A 28 17.080 25.220 18.760 1.00 0.00 H ATOM 374 HG3 GLU A 28 17.351 23.517 18.322 1.00 0.00 H ATOM 375 H GLU A 28 19.413 22.924 16.904 1.00 0.00 H ATOM 376 N ASP A 29 21.994 24.695 17.593 1.00 15.65 N ATOM 377 CA ASP A 29 23.386 25.082 17.755 1.00 10.86 C ATOM 378 C ASP A 29 24.065 25.643 16.519 1.00 11.38 C ATOM 379 O ASP A 29 25.188 26.122 16.611 1.00 16.45 O ATOM 380 CB ASP A 29 24.221 23.904 18.282 1.00 13.32 C ATOM 381 CG ASP A 29 23.832 23.505 19.671 1.00 35.95 C ATOM 382 OD1 ASP A 29 23.213 24.226 20.420 1.00 31.30 O ATOM 383 OD2 ASP A 29 24.218 22.302 19.982 1.00 35.83 O ATOM 384 HA ASP A 29 23.345 25.900 18.474 1.00 0.00 H ATOM 385 HB2 ASP A 29 24.079 23.050 17.620 1.00 0.00 H ATOM 386 HB3 ASP A 29 25.272 24.192 18.282 1.00 0.00 H ATOM 387 H ASP A 29 21.761 23.687 17.483 1.00 0.00 H ATOM 388 N GLY A 30 23.404 25.570 15.373 1.00 13.28 N ATOM 389 CA GLY A 30 23.984 26.058 14.136 1.00 11.56 C ATOM 390 C GLY A 30 25.161 25.197 13.693 1.00 17.95 C ATOM 391 O GLY A 30 26.131 25.671 13.091 1.00 21.12 O ATOM 392 HA3 GLY A 30 24.330 27.081 14.286 1.00 0.00 H ATOM 393 HA2 GLY A 30 23.222 26.044 13.357 1.00 0.00 H ATOM 394 H GLY A 30 22.451 25.155 15.360 1.00 0.00 H ATOM 395 N GLU A 31 25.029 23.911 13.991 1.00 16.18 N ATOM 396 CA GLU A 31 26.030 22.920 13.690 1.00 14.87 C ATOM 397 C GLU A 31 25.525 21.810 12.765 1.00 13.81 C ATOM 398 O GLU A 31 24.340 21.552 12.684 1.00 14.61 O ATOM 399 CB GLU A 31 26.468 22.361 15.051 1.00 16.04 C ATOM 400 CG GLU A 31 27.720 21.506 15.021 1.00 52.46 C ATOM 401 CD GLU A 31 28.966 22.300 14.836 1.00 29.39 C ATOM 402 OE1 GLU A 31 29.163 23.395 15.339 1.00 53.75 O ATOM 403 OE2 GLU A 31 29.814 21.653 14.082 1.00 40.37 O ATOM 404 HA GLU A 31 26.857 23.369 13.140 1.00 0.00 H ATOM 405 HB2 GLU A 31 26.649 23.202 15.720 1.00 0.00 H ATOM 406 HB3 GLU A 31 25.653 21.754 15.445 1.00 0.00 H ATOM 407 HG2 GLU A 31 27.792 20.962 15.963 1.00 0.00 H ATOM 408 HG3 GLU A 31 27.636 20.796 14.198 1.00 0.00 H ATOM 409 H GLU A 31 24.157 23.602 14.467 1.00 0.00 H ATOM 410 N THR A 32 26.461 21.171 12.060 1.00 13.72 N ATOM 411 CA THR A 32 26.191 20.063 11.153 1.00 17.86 C ATOM 412 C THR A 32 27.301 19.027 11.301 1.00 24.28 C ATOM 413 O THR A 32 28.371 19.351 11.781 1.00 18.70 O ATOM 414 CB THR A 32 26.138 20.481 9.657 1.00 8.53 C ATOM 415 OG1 THR A 32 27.373 21.057 9.278 1.00 17.97 O ATOM 416 CG2 THR A 32 24.995 21.452 9.413 1.00 7.24 C ATOM 417 HA THR A 32 25.210 19.672 11.424 1.00 0.00 H ATOM 418 HB THR A 32 25.961 19.594 9.048 1.00 0.00 H ATOM 419 HG1 THR A 32 28.098 20.396 9.409 1.00 0.00 H ATOM 420 HG23 THR A 32 24.055 20.987 9.712 1.00 0.00 H ATOM 421 HG21 THR A 32 25.157 22.357 9.999 1.00 0.00 H ATOM 422 HG22 THR A 32 24.956 21.706 8.354 1.00 0.00 H ATOM 423 H THR A 32 27.447 21.484 12.165 1.00 0.00 H ATOM 424 N VAL A 33 27.042 17.790 10.875 1.00 17.74 N ATOM 425 CA VAL A 33 28.026 16.705 10.911 1.00 14.42 C ATOM 426 C VAL A 33 27.961 15.953 9.613 1.00 11.57 C ATOM 427 O VAL A 33 26.906 15.883 8.984 1.00 14.12 O ATOM 428 CB VAL A 33 27.890 15.696 12.066 1.00 25.14 C ATOM 429 CG1 VAL A 33 28.237 16.346 13.404 1.00 40.92 C ATOM 430 CG2 VAL A 33 26.498 15.073 12.106 1.00 24.30 C ATOM 431 HA VAL A 33 28.983 17.200 11.076 1.00 0.00 H ATOM 432 HB VAL A 33 28.603 14.892 11.884 1.00 0.00 H ATOM 433 HG11 VAL A 33 29.265 16.709 13.375 1.00 0.00 H ATOM 434 HG12 VAL A 33 27.561 17.181 13.587 1.00 0.00 H ATOM 435 HG13 VAL A 33 28.132 15.611 14.202 1.00 0.00 H ATOM 436 HG21 VAL A 33 25.754 15.858 12.244 1.00 0.00 H ATOM 437 HG22 VAL A 33 26.308 14.551 11.168 1.00 0.00 H ATOM 438 HG23 VAL A 33 26.441 14.367 12.934 1.00 0.00 H ATOM 439 H VAL A 33 26.094 17.585 10.499 1.00 0.00 H ATOM 440 N GLY A 34 29.078 15.381 9.209 1.00 16.24 N ATOM 441 CA GLY A 34 29.066 14.606 7.993 1.00 24.36 C ATOM 442 C GLY A 34 29.387 15.413 6.774 1.00 22.04 C ATOM 443 O GLY A 34 29.273 16.632 6.746 1.00 16.82 O ATOM 444 HA3 GLY A 34 28.074 14.171 7.869 1.00 0.00 H ATOM 445 HA2 GLY A 34 29.803 13.808 8.084 1.00 0.00 H ATOM 446 H GLY A 34 29.954 15.487 9.759 1.00 0.00 H ATOM 447 N SER A 35 29.785 14.702 5.749 1.00 25.28 N ATOM 448 CA SER A 35 30.140 15.330 4.503 1.00 18.14 C ATOM 449 C SER A 35 28.973 16.063 3.848 1.00 24.02 C ATOM 450 O SER A 35 29.190 17.030 3.120 1.00 24.80 O ATOM 451 CB SER A 35 30.821 14.353 3.546 1.00 43.82 C ATOM 452 OG SER A 35 29.865 13.474 2.967 1.00 37.67 O ATOM 453 HA SER A 35 30.871 16.100 4.749 1.00 0.00 H ATOM 454 HB2 SER A 35 31.559 13.769 4.095 1.00 0.00 H ATOM 455 HB3 SER A 35 31.319 14.914 2.755 1.00 0.00 H ATOM 456 HG SER A 35 30.323 12.849 2.351 1.00 0.00 H ATOM 457 H SER A 35 29.846 13.667 5.836 1.00 0.00 H ATOM 458 N ASN A 36 27.735 15.608 4.078 1.00 19.83 N ATOM 459 CA ASN A 36 26.574 16.256 3.476 1.00 15.47 C ATOM 460 C ASN A 36 25.872 17.254 4.400 1.00 20.17 C ATOM 461 O ASN A 36 24.733 17.655 4.162 1.00 19.41 O ATOM 462 CB ASN A 36 25.548 15.293 2.848 1.00 32.61 C ATOM 463 CG ASN A 36 26.109 14.251 1.891 1.00 49.18 C ATOM 464 OD1 ASN A 36 25.567 13.136 1.824 1.00 60.00 O ATOM 465 ND2 ASN A 36 27.159 14.594 1.130 1.00 40.26 N ATOM 466 HA ASN A 36 27.018 16.819 2.655 1.00 0.00 H ATOM 467 HB2 ASN A 36 25.046 14.765 3.659 1.00 0.00 H ATOM 468 HB3 ASN A 36 24.820 15.892 2.300 1.00 0.00 H ATOM 469 HD22 ASN A 36 27.580 15.540 1.221 1.00 0.00 H ATOM 470 HD21 ASN A 36 27.552 13.913 0.449 1.00 0.00 H ATOM 471 H ASN A 36 27.599 14.781 4.694 1.00 0.00 H ATOM 472 N SER A 37 26.558 17.634 5.467 1.00 20.69 N ATOM 473 CA SER A 37 26.053 18.609 6.415 1.00 19.12 C ATOM 474 C SER A 37 24.661 18.389 6.968 1.00 15.91 C ATOM 475 O SER A 37 23.751 19.132 6.640 1.00 21.87 O ATOM 476 CB SER A 37 26.177 20.008 5.812 1.00 17.30 C ATOM 477 OG SER A 37 27.496 20.153 5.313 1.00 25.28 O ATOM 478 HA SER A 37 26.684 18.483 7.294 1.00 0.00 H ATOM 479 HB2 SER A 37 25.986 20.760 6.578 1.00 0.00 H ATOM 480 HB3 SER A 37 25.459 20.127 5.001 1.00 0.00 H ATOM 481 HG SER A 37 28.142 20.041 6.054 1.00 0.00 H ATOM 482 H SER A 37 27.496 17.217 5.632 1.00 0.00 H ATOM 483 N TYR A 38 24.498 17.407 7.863 1.00 13.05 N ATOM 484 CA TYR A 38 23.209 17.152 8.486 1.00 10.18 C ATOM 485 C TYR A 38 23.181 17.840 9.858 1.00 13.78 C ATOM 486 O TYR A 38 24.189 17.868 10.550 1.00 14.12 O ATOM 487 CB TYR A 38 22.976 15.636 8.638 1.00 9.23 C ATOM 488 CG TYR A 38 22.835 14.921 7.319 1.00 10.23 C ATOM 489 CD1 TYR A 38 21.661 15.003 6.577 1.00 12.45 C ATOM 490 CD2 TYR A 38 23.887 14.165 6.804 1.00 8.88 C ATOM 491 CE1 TYR A 38 21.557 14.347 5.348 1.00 10.71 C ATOM 492 CE2 TYR A 38 23.788 13.490 5.585 1.00 19.71 C ATOM 493 CZ TYR A 38 22.607 13.584 4.852 1.00 12.87 C ATOM 494 OH TYR A 38 22.453 12.965 3.628 1.00 16.76 O ATOM 495 HA TYR A 38 22.412 17.552 7.859 1.00 0.00 H ATOM 496 HB3 TYR A 38 22.064 15.482 9.215 1.00 0.00 H ATOM 497 HB2 TYR A 38 23.822 15.208 9.176 1.00 0.00 H ATOM 498 HD2 TYR A 38 24.816 14.099 7.370 1.00 0.00 H ATOM 499 HE2 TYR A 38 24.624 12.898 5.212 1.00 0.00 H ATOM 500 HE1 TYR A 38 20.638 14.435 4.769 1.00 0.00 H ATOM 501 HD1 TYR A 38 20.819 15.582 6.956 1.00 0.00 H ATOM 502 HH TYR A 38 21.547 13.154 3.275 1.00 0.00 H ATOM 503 H TYR A 38 25.312 16.813 8.119 1.00 0.00 H ATOM 504 N PRO A 39 22.048 18.412 10.274 1.00 18.22 N ATOM 505 CA PRO A 39 20.813 18.416 9.515 1.00 15.53 C ATOM 506 C PRO A 39 20.828 19.492 8.439 1.00 31.10 C ATOM 507 O PRO A 39 21.533 20.488 8.552 1.00 18.93 O ATOM 508 CB PRO A 39 19.719 18.783 10.524 1.00 10.82 C ATOM 509 CG PRO A 39 20.411 19.300 11.776 1.00 14.63 C ATOM 510 CD PRO A 39 21.907 19.072 11.608 1.00 16.24 C ATOM 511 HA PRO A 39 20.662 17.452 9.030 1.00 0.00 H ATOM 512 HD3 PRO A 39 22.444 20.020 11.626 1.00 0.00 H ATOM 513 HD2 PRO A 39 22.288 18.425 12.398 1.00 0.00 H ATOM 514 HG3 PRO A 39 20.049 18.759 12.650 1.00 0.00 H ATOM 515 HG2 PRO A 39 20.209 20.364 11.899 1.00 0.00 H ATOM 516 HB2 PRO A 39 19.073 19.556 10.109 1.00 0.00 H ATOM 517 HB3 PRO A 39 19.122 17.903 10.764 1.00 0.00 H ATOM 518 N HIS A 40 20.052 19.288 7.389 1.00 12.82 N ATOM 519 CA HIS A 40 19.962 20.274 6.315 1.00 16.49 C ATOM 520 C HIS A 40 18.525 20.454 5.859 1.00 23.02 C ATOM 521 O HIS A 40 17.660 19.609 6.144 1.00 18.96 O ATOM 522 CB HIS A 40 20.972 20.096 5.177 1.00 13.67 C ATOM 523 CG HIS A 40 20.712 18.907 4.314 1.00 17.63 C ATOM 524 ND1 HIS A 40 19.559 18.809 3.549 1.00 23.75 N ATOM 525 CD2 HIS A 40 21.458 17.791 4.102 1.00 15.14 C ATOM 526 CE1 HIS A 40 19.622 17.667 2.896 1.00 13.20 C ATOM 527 NE2 HIS A 40 20.749 17.024 3.196 1.00 17.52 N ATOM 528 HA HIS A 40 20.280 21.222 6.749 1.00 0.00 H ATOM 529 HB2 HIS A 40 20.943 20.987 4.550 1.00 0.00 H ATOM 530 HB3 HIS A 40 21.965 19.992 5.613 1.00 0.00 H ATOM 531 HD2 HIS A 40 22.420 17.550 4.554 1.00 0.00 H ATOM 532 HE1 HIS A 40 18.860 17.300 2.208 1.00 0.00 H ATOM 533 H HIS A 40 19.496 18.411 7.326 1.00 0.00 H ATOM 534 N LYS A 41 18.263 21.569 5.182 1.00 18.83 N ATOM 535 CA LYS A 41 16.924 21.884 4.709 1.00 14.59 C ATOM 536 C LYS A 41 16.344 20.785 3.842 1.00 9.60 C ATOM 537 O LYS A 41 17.042 20.176 3.041 1.00 16.06 O ATOM 538 CB LYS A 41 16.906 23.195 3.939 1.00 20.27 C ATOM 539 CG LYS A 41 16.029 24.263 4.574 1.00 57.15 C ATOM 540 CD LYS A 41 14.569 24.202 4.130 1.00 57.97 C ATOM 541 CE LYS A 41 14.090 25.452 3.390 1.00 60.00 C ATOM 542 NZ LYS A 41 14.658 25.614 2.036 1.00 60.00 N ATOM 543 HA LYS A 41 16.302 21.978 5.599 1.00 0.00 H ATOM 544 HB2 LYS A 41 17.926 23.575 3.882 1.00 0.00 H ATOM 545 HB3 LYS A 41 16.536 22.999 2.933 1.00 0.00 H ATOM 546 HG2 LYS A 41 16.065 24.140 5.656 1.00 0.00 H ATOM 547 HG3 LYS A 41 16.430 25.241 4.307 1.00 0.00 H ATOM 548 HD2 LYS A 41 14.447 23.344 3.469 1.00 0.00 H ATOM 549 HD3 LYS A 41 13.947 24.068 5.015 1.00 0.00 H ATOM 550 HE2 LYS A 41 14.364 26.325 3.982 1.00 0.00 H ATOM 551 HE3 LYS A 41 13.005 25.401 3.301 1.00 0.00 H ATOM 552 HZ1 LYS A 41 15.694 25.677 2.101 1.00 0.00 H ATOM 553 HZ2 LYS A 41 14.396 24.795 1.451 1.00 0.00 H ATOM 554 HZ3 LYS A 41 14.283 26.483 1.606 1.00 0.00 H ATOM 555 H LYS A 41 19.038 22.234 4.985 1.00 0.00 H ATOM 556 N TYR A 42 15.052 20.557 4.003 1.00 17.80 N ATOM 557 CA TYR A 42 14.358 19.573 3.213 1.00 13.75 C ATOM 558 C TYR A 42 13.211 20.284 2.514 1.00 23.48 C ATOM 559 O TYR A 42 12.451 20.975 3.173 1.00 17.60 O ATOM 560 CB TYR A 42 13.829 18.401 4.075 1.00 14.78 C ATOM 561 CG TYR A 42 12.864 17.542 3.294 1.00 13.76 C ATOM 562 CD1 TYR A 42 13.330 16.605 2.372 1.00 20.68 C ATOM 563 CD2 TYR A 42 11.482 17.677 3.445 1.00 8.57 C ATOM 564 CE1 TYR A 42 12.447 15.823 1.626 1.00 19.41 C ATOM 565 CE2 TYR A 42 10.584 16.900 2.713 1.00 20.97 C ATOM 566 CZ TYR A 42 11.074 15.971 1.795 1.00 17.53 C ATOM 567 OH TYR A 42 10.226 15.183 1.059 1.00 40.63 O ATOM 568 HA TYR A 42 15.045 19.132 2.491 1.00 0.00 H ATOM 569 HB3 TYR A 42 13.319 18.804 4.950 1.00 0.00 H ATOM 570 HB2 TYR A 42 14.671 17.788 4.397 1.00 0.00 H ATOM 571 HD2 TYR A 42 11.095 18.409 4.154 1.00 0.00 H ATOM 572 HE2 TYR A 42 9.510 17.018 2.857 1.00 0.00 H ATOM 573 HE1 TYR A 42 12.833 15.096 0.911 1.00 0.00 H ATOM 574 HD1 TYR A 42 14.404 16.481 2.231 1.00 0.00 H ATOM 575 HH TYR A 42 9.636 15.758 0.510 1.00 0.00 H ATOM 576 H TYR A 42 14.525 21.100 4.716 1.00 0.00 H ATOM 577 N ASN A 43 13.093 20.144 1.193 1.00 16.33 N ATOM 578 CA ASN A 43 12.007 20.762 0.405 1.00 17.66 C ATOM 579 C ASN A 43 11.010 19.686 -0.030 1.00 11.37 C ATOM 580 O ASN A 43 11.369 18.686 -0.627 1.00 23.60 O ATOM 581 CB ASN A 43 12.540 21.691 -0.738 1.00 21.26 C ATOM 582 CG ASN A 43 13.317 22.903 -0.175 1.00 14.61 C ATOM 583 OD1 ASN A 43 12.724 23.843 0.403 1.00 32.47 O ATOM 584 ND2 ASN A 43 14.644 22.881 -0.324 1.00 18.22 N ATOM 585 HA ASN A 43 11.451 21.456 1.036 1.00 0.00 H ATOM 586 HB2 ASN A 43 13.204 21.114 -1.382 1.00 0.00 H ATOM 587 HB3 ASN A 43 11.694 22.054 -1.322 1.00 0.00 H ATOM 588 HD22 ASN A 43 15.100 22.082 -0.810 1.00 0.00 H ATOM 589 HD21 ASN A 43 15.222 23.663 0.046 1.00 0.00 H ATOM 590 H ASN A 43 13.802 19.571 0.692 1.00 0.00 H ATOM 591 N ASN A 44 9.747 19.854 0.310 1.00 10.64 N ATOM 592 CA ASN A 44 8.733 18.865 0.008 1.00 10.62 C ATOM 593 C ASN A 44 8.173 18.939 -1.414 1.00 15.47 C ATOM 594 O ASN A 44 6.974 19.123 -1.619 1.00 16.61 O ATOM 595 CB ASN A 44 7.595 19.064 1.029 1.00 17.99 C ATOM 596 CG ASN A 44 6.607 17.925 1.112 1.00 19.51 C ATOM 597 OD1 ASN A 44 6.939 16.790 0.775 1.00 19.37 O ATOM 598 ND2 ASN A 44 5.399 18.225 1.577 1.00 11.24 N ATOM 599 HA ASN A 44 9.195 17.880 0.075 1.00 0.00 H ATOM 600 HB2 ASN A 44 8.043 19.196 2.014 1.00 0.00 H ATOM 601 HB3 ASN A 44 7.049 19.967 0.756 1.00 0.00 H ATOM 602 HD22 ASN A 44 5.174 19.204 1.847 1.00 0.00 H ATOM 603 HD21 ASN A 44 4.678 17.481 1.671 1.00 0.00 H ATOM 604 H ASN A 44 9.471 20.723 0.810 1.00 0.00 H ATOM 605 N TYR A 45 9.033 18.806 -2.395 1.00 16.11 N ATOM 606 CA TYR A 45 8.586 18.893 -3.770 1.00 22.24 C ATOM 607 C TYR A 45 7.699 17.759 -4.222 1.00 25.28 C ATOM 608 O TYR A 45 6.983 17.924 -5.194 1.00 20.00 O ATOM 609 CB TYR A 45 9.705 19.216 -4.778 1.00 12.93 C ATOM 610 CG TYR A 45 10.825 18.219 -4.793 1.00 19.66 C ATOM 611 CD1 TYR A 45 10.728 17.063 -5.568 1.00 18.41 C ATOM 612 CD2 TYR A 45 11.997 18.452 -4.073 1.00 25.96 C ATOM 613 CE1 TYR A 45 11.776 16.144 -5.592 1.00 22.44 C ATOM 614 CE2 TYR A 45 13.049 17.537 -4.077 1.00 32.79 C ATOM 615 CZ TYR A 45 12.927 16.379 -4.840 1.00 39.18 C ATOM 616 OH TYR A 45 13.956 15.484 -4.860 1.00 49.75 O ATOM 617 HA TYR A 45 7.936 19.768 -3.763 1.00 0.00 H ATOM 618 HB3 TYR A 45 10.120 20.193 -4.528 1.00 0.00 H ATOM 619 HB2 TYR A 45 9.267 19.253 -5.775 1.00 0.00 H ATOM 620 HD2 TYR A 45 12.092 19.371 -3.494 1.00 0.00 H ATOM 621 HE2 TYR A 45 13.950 17.725 -3.494 1.00 0.00 H ATOM 622 HE1 TYR A 45 11.696 15.242 -6.198 1.00 0.00 H ATOM 623 HD1 TYR A 45 9.830 16.878 -6.157 1.00 0.00 H ATOM 624 HH TYR A 45 14.126 15.158 -3.941 1.00 0.00 H ATOM 625 H TYR A 45 10.038 18.638 -2.185 1.00 0.00 H ATOM 626 N GLN A 46 7.740 16.619 -3.509 1.00 21.89 N ATOM 627 CA GLN A 46 6.920 15.472 -3.861 1.00 13.71 C ATOM 628 C GLN A 46 5.552 15.549 -3.240 1.00 16.22 C ATOM 629 O GLN A 46 4.677 14.707 -3.450 1.00 21.47 O ATOM 630 CB GLN A 46 7.613 14.158 -3.503 1.00 15.93 C ATOM 631 CG GLN A 46 8.929 14.030 -4.252 1.00 21.09 C ATOM 632 CD GLN A 46 9.634 12.754 -3.904 1.00 15.35 C ATOM 633 OE1 GLN A 46 10.708 12.788 -3.285 1.00 15.71 O ATOM 634 NE2 GLN A 46 9.029 11.643 -4.317 1.00 21.58 N ATOM 635 HA GLN A 46 6.788 15.496 -4.943 1.00 0.00 H ATOM 636 HB2 GLN A 46 7.806 14.135 -2.431 1.00 0.00 H ATOM 637 HB3 GLN A 46 6.964 13.325 -3.772 1.00 0.00 H ATOM 638 HG2 GLN A 46 8.730 14.045 -5.324 1.00 0.00 H ATOM 639 HG3 GLN A 46 9.570 14.872 -3.991 1.00 0.00 H ATOM 640 HE22 GLN A 46 8.127 11.703 -4.832 1.00 0.00 H ATOM 641 HE21 GLN A 46 9.458 10.715 -4.125 1.00 0.00 H ATOM 642 H GLN A 46 8.373 16.557 -2.686 1.00 0.00 H ATOM 643 N GLY A 47 5.384 16.583 -2.451 1.00 15.46 N ATOM 644 CA GLY A 47 4.123 16.847 -1.803 1.00 18.85 C ATOM 645 C GLY A 47 3.623 15.845 -0.777 1.00 27.14 C ATOM 646 O GLY A 47 2.419 15.621 -0.713 1.00 15.49 O ATOM 647 HA3 GLY A 47 3.366 16.917 -2.584 1.00 0.00 H ATOM 648 HA2 GLY A 47 4.213 17.809 -1.299 1.00 0.00 H ATOM 649 H GLY A 47 6.182 17.230 -2.288 1.00 0.00 H ATOM 650 N PHE A 48 4.514 15.269 0.045 1.00 21.65 N ATOM 651 CA PHE A 48 4.063 14.340 1.080 1.00 16.00 C ATOM 652 C PHE A 48 3.093 15.066 2.001 1.00 28.06 C ATOM 653 O PHE A 48 3.207 16.267 2.227 1.00 28.63 O ATOM 654 CB PHE A 48 5.212 13.742 1.929 1.00 9.25 C ATOM 655 CG PHE A 48 6.244 13.009 1.112 1.00 24.35 C ATOM 656 CD1 PHE A 48 5.847 12.065 0.171 1.00 19.53 C ATOM 657 CD2 PHE A 48 7.604 13.267 1.260 1.00 17.80 C ATOM 658 CE1 PHE A 48 6.785 11.373 -0.591 1.00 17.81 C ATOM 659 CE2 PHE A 48 8.561 12.599 0.498 1.00 22.51 C ATOM 660 CZ PHE A 48 8.136 11.644 -0.422 1.00 11.35 C ATOM 661 HA PHE A 48 3.588 13.504 0.567 1.00 0.00 H ATOM 662 HB2 PHE A 48 5.707 14.554 2.462 1.00 0.00 H ATOM 663 HB3 PHE A 48 4.783 13.045 2.649 1.00 0.00 H ATOM 664 HD2 PHE A 48 7.928 14.009 1.989 1.00 0.00 H ATOM 665 HE2 PHE A 48 9.621 12.820 0.620 1.00 0.00 H ATOM 666 HZ PHE A 48 8.872 11.103 -1.016 1.00 0.00 H ATOM 667 HE1 PHE A 48 6.461 10.625 -1.314 1.00 0.00 H ATOM 668 HD1 PHE A 48 4.785 11.864 0.028 1.00 0.00 H ATOM 669 H PHE A 48 5.527 15.484 -0.054 1.00 0.00 H ATOM 670 N ASP A 49 2.141 14.335 2.543 1.00 19.53 N ATOM 671 CA ASP A 49 1.172 14.933 3.430 1.00 30.55 C ATOM 672 C ASP A 49 1.680 15.152 4.863 1.00 27.75 C ATOM 673 O ASP A 49 1.365 14.418 5.797 1.00 43.81 O ATOM 674 CB ASP A 49 -0.210 14.232 3.363 1.00 26.06 C ATOM 675 CG ASP A 49 -1.285 14.854 4.223 1.00 32.72 C ATOM 676 OD1 ASP A 49 -1.387 16.157 4.109 1.00 60.00 O ATOM 677 OD2 ASP A 49 -2.003 14.195 4.939 1.00 37.47 O ATOM 678 HA ASP A 49 1.017 15.942 3.047 1.00 0.00 H ATOM 679 HB2 ASP A 49 -0.550 14.254 2.328 1.00 0.00 H ATOM 680 HB3 ASP A 49 -0.080 13.197 3.680 1.00 0.00 H ATOM 681 H ASP A 49 2.087 13.318 2.330 1.00 0.00 H ATOM 682 N PHE A 50 2.477 16.182 5.044 1.00 25.96 N ATOM 683 CA PHE A 50 2.953 16.469 6.372 1.00 28.96 C ATOM 684 C PHE A 50 1.909 17.376 7.012 1.00 37.79 C ATOM 685 O PHE A 50 1.428 18.332 6.388 1.00 37.71 O ATOM 686 CB PHE A 50 4.320 17.179 6.361 1.00 28.08 C ATOM 687 CG PHE A 50 5.461 16.376 5.803 1.00 26.14 C ATOM 688 CD1 PHE A 50 5.554 14.994 5.973 1.00 19.27 C ATOM 689 CD2 PHE A 50 6.472 17.023 5.098 1.00 22.04 C ATOM 690 CE1 PHE A 50 6.621 14.271 5.442 1.00 14.26 C ATOM 691 CE2 PHE A 50 7.553 16.317 4.565 1.00 26.09 C ATOM 692 CZ PHE A 50 7.629 14.937 4.747 1.00 15.80 C ATOM 693 HA PHE A 50 3.092 15.540 6.925 1.00 0.00 H ATOM 694 HB2 PHE A 50 4.223 18.086 5.764 1.00 0.00 H ATOM 695 HB3 PHE A 50 4.568 17.447 7.388 1.00 0.00 H ATOM 696 HD2 PHE A 50 6.419 18.103 4.959 1.00 0.00 H ATOM 697 HE2 PHE A 50 8.331 16.841 4.011 1.00 0.00 H ATOM 698 HZ PHE A 50 8.476 14.380 4.346 1.00 0.00 H ATOM 699 HE1 PHE A 50 6.667 13.189 5.570 1.00 0.00 H ATOM 700 HD1 PHE A 50 4.778 14.470 6.531 1.00 0.00 H ATOM 701 H PHE A 50 2.759 16.780 4.241 1.00 0.00 H ATOM 702 N SER A 51 1.547 17.086 8.247 1.00 34.50 N ATOM 703 CA SER A 51 0.551 17.893 8.919 1.00 54.05 C ATOM 704 C SER A 51 1.136 19.088 9.671 1.00 59.50 C ATOM 705 O SER A 51 0.404 19.891 10.245 1.00 48.49 O ATOM 706 CB SER A 51 -0.271 17.024 9.835 1.00 42.51 C ATOM 707 OG SER A 51 0.568 16.571 10.872 1.00 60.00 O ATOM 708 HA SER A 51 -0.087 18.321 8.146 1.00 0.00 H ATOM 709 HB2 SER A 51 -0.668 16.173 9.281 1.00 0.00 H ATOM 710 HB3 SER A 51 -1.096 17.601 10.252 1.00 0.00 H ATOM 711 HG SER A 51 1.316 16.051 10.486 1.00 0.00 H ATOM 712 H SER A 51 1.978 16.277 8.738 1.00 0.00 H ATOM 713 N VAL A 52 2.465 19.194 9.674 1.00 33.34 N ATOM 714 CA VAL A 52 3.165 20.279 10.345 1.00 30.37 C ATOM 715 C VAL A 52 3.746 21.195 9.294 1.00 30.24 C ATOM 716 O VAL A 52 4.004 20.745 8.167 1.00 29.72 O ATOM 717 CB VAL A 52 4.209 19.815 11.372 1.00 18.98 C ATOM 718 CG1 VAL A 52 3.569 18.979 12.462 1.00 26.50 C ATOM 719 CG2 VAL A 52 5.318 19.024 10.700 1.00 19.37 C ATOM 720 HA VAL A 52 2.442 20.826 10.950 1.00 0.00 H ATOM 721 HB VAL A 52 4.640 20.708 11.826 1.00 0.00 H ATOM 722 HG11 VAL A 52 2.813 19.572 12.976 1.00 0.00 H ATOM 723 HG12 VAL A 52 3.102 18.100 12.017 1.00 0.00 H ATOM 724 HG13 VAL A 52 4.333 18.666 13.174 1.00 0.00 H ATOM 725 HG21 VAL A 52 4.893 18.147 10.212 1.00 0.00 H ATOM 726 HG22 VAL A 52 5.811 19.651 9.958 1.00 0.00 H ATOM 727 HG23 VAL A 52 6.043 18.708 11.450 1.00 0.00 H ATOM 728 H VAL A 52 3.024 18.472 9.177 1.00 0.00 H ATOM 729 N SER A 53 3.929 22.474 9.654 1.00 28.77 N ATOM 730 CA SER A 53 4.449 23.487 8.738 1.00 21.49 C ATOM 731 C SER A 53 5.945 23.478 8.588 1.00 23.84 C ATOM 732 O SER A 53 6.663 23.061 9.483 1.00 21.37 O ATOM 733 CB SER A 53 4.067 24.882 9.185 1.00 17.13 C ATOM 734 OG SER A 53 4.674 25.155 10.442 1.00 60.00 O ATOM 735 HA SER A 53 3.998 23.228 7.780 1.00 0.00 H ATOM 736 HB2 SER A 53 2.983 24.950 9.281 1.00 0.00 H ATOM 737 HB3 SER A 53 4.412 25.608 8.448 1.00 0.00 H ATOM 738 HG SER A 53 5.658 25.093 10.352 1.00 0.00 H ATOM 739 H SER A 53 3.691 22.757 10.626 1.00 0.00 H ATOM 740 N SER A 54 6.376 23.986 7.434 1.00 18.25 N ATOM 741 CA SER A 54 7.770 24.117 7.116 1.00 27.75 C ATOM 742 C SER A 54 8.207 25.383 7.797 1.00 19.97 C ATOM 743 O SER A 54 7.382 26.080 8.375 1.00 29.92 O ATOM 744 CB SER A 54 8.009 24.206 5.612 1.00 39.69 C ATOM 745 OG SER A 54 7.269 25.277 5.056 1.00 32.16 O ATOM 746 HA SER A 54 8.333 23.246 7.451 1.00 0.00 H ATOM 747 HB2 SER A 54 7.698 23.273 5.143 1.00 0.00 H ATOM 748 HB3 SER A 54 9.071 24.368 5.426 1.00 0.00 H ATOM 749 HG SER A 54 7.435 25.320 4.081 1.00 0.00 H ATOM 750 H SER A 54 5.674 24.301 6.735 1.00 0.00 H ATOM 751 N PRO A 55 9.482 25.688 7.761 1.00 20.24 N ATOM 752 CA PRO A 55 10.505 24.911 7.111 1.00 21.56 C ATOM 753 C PRO A 55 10.745 23.524 7.714 1.00 21.80 C ATOM 754 O PRO A 55 10.504 23.259 8.894 1.00 15.69 O ATOM 755 CB PRO A 55 11.792 25.729 7.276 1.00 23.11 C ATOM 756 CG PRO A 55 11.441 27.056 7.925 1.00 25.27 C ATOM 757 CD PRO A 55 9.955 27.010 8.234 1.00 20.76 C ATOM 758 HA PRO A 55 10.197 24.730 6.081 1.00 0.00 H ATOM 759 HD3 PRO A 55 9.787 27.112 9.306 1.00 0.00 H ATOM 760 HD2 PRO A 55 9.433 27.810 7.708 1.00 0.00 H ATOM 761 HG3 PRO A 55 11.658 27.878 7.242 1.00 0.00 H ATOM 762 HG2 PRO A 55 12.012 27.188 8.844 1.00 0.00 H ATOM 763 HB2 PRO A 55 12.495 25.185 7.907 1.00 0.00 H ATOM 764 HB3 PRO A 55 12.244 25.905 6.300 1.00 0.00 H ATOM 765 N TYR A 56 11.271 22.652 6.862 1.00 16.49 N ATOM 766 CA TYR A 56 11.603 21.294 7.232 1.00 20.42 C ATOM 767 C TYR A 56 13.093 21.064 7.132 1.00 10.85 C ATOM 768 O TYR A 56 13.785 21.660 6.310 1.00 15.43 O ATOM 769 CB TYR A 56 10.933 20.256 6.318 1.00 19.03 C ATOM 770 CG TYR A 56 9.434 20.364 6.223 1.00 24.67 C ATOM 771 CD1 TYR A 56 8.617 20.128 7.327 1.00 11.64 C ATOM 772 CD2 TYR A 56 8.845 20.693 5.004 1.00 17.84 C ATOM 773 CE1 TYR A 56 7.232 20.234 7.220 1.00 19.59 C ATOM 774 CE2 TYR A 56 7.461 20.800 4.877 1.00 31.17 C ATOM 775 CZ TYR A 56 6.662 20.571 5.994 1.00 18.50 C ATOM 776 OH TYR A 56 5.307 20.675 5.903 1.00 23.49 O ATOM 777 HA TYR A 56 11.246 21.170 8.254 1.00 0.00 H ATOM 778 HB3 TYR A 56 11.177 19.264 6.697 1.00 0.00 H ATOM 779 HB2 TYR A 56 11.345 20.372 5.315 1.00 0.00 H ATOM 780 HD2 TYR A 56 9.478 20.870 4.134 1.00 0.00 H ATOM 781 HE2 TYR A 56 7.011 21.059 3.918 1.00 0.00 H ATOM 782 HE1 TYR A 56 6.599 20.055 8.089 1.00 0.00 H ATOM 783 HD1 TYR A 56 9.066 19.858 8.283 1.00 0.00 H ATOM 784 HH TYR A 56 4.902 20.481 6.785 1.00 0.00 H ATOM 785 H TYR A 56 11.452 22.959 5.885 1.00 0.00 H ATOM 786 N TYR A 57 13.573 20.169 7.978 1.00 16.25 N ATOM 787 CA TYR A 57 14.974 19.757 8.006 1.00 21.41 C ATOM 788 C TYR A 57 15.047 18.222 8.015 1.00 14.74 C ATOM 789 O TYR A 57 14.156 17.566 8.543 1.00 19.12 O ATOM 790 CB TYR A 57 15.773 20.355 9.168 1.00 14.45 C ATOM 791 CG TYR A 57 15.654 21.848 9.184 1.00 17.69 C ATOM 792 CD1 TYR A 57 14.600 22.452 9.863 1.00 16.46 C ATOM 793 CD2 TYR A 57 16.568 22.644 8.496 1.00 15.10 C ATOM 794 CE1 TYR A 57 14.454 23.838 9.877 1.00 18.65 C ATOM 795 CE2 TYR A 57 16.437 24.031 8.489 1.00 17.08 C ATOM 796 CZ TYR A 57 15.379 24.618 9.188 1.00 27.11 C ATOM 797 OH TYR A 57 15.232 25.972 9.193 1.00 20.47 O ATOM 798 HA TYR A 57 15.445 20.151 7.106 1.00 0.00 H ATOM 799 HB3 TYR A 57 16.822 20.081 9.059 1.00 0.00 H ATOM 800 HB2 TYR A 57 15.391 19.956 10.107 1.00 0.00 H ATOM 801 HD2 TYR A 57 17.393 22.177 7.958 1.00 0.00 H ATOM 802 HE2 TYR A 57 17.151 24.650 7.945 1.00 0.00 H ATOM 803 HE1 TYR A 57 13.630 24.303 10.418 1.00 0.00 H ATOM 804 HD1 TYR A 57 13.877 21.831 10.392 1.00 0.00 H ATOM 805 HH TYR A 57 14.438 26.215 9.732 1.00 0.00 H ATOM 806 H TYR A 57 12.918 19.735 8.660 1.00 0.00 H ATOM 807 N GLU A 58 16.086 17.665 7.402 1.00 17.35 N ATOM 808 CA GLU A 58 16.256 16.236 7.364 1.00 17.31 C ATOM 809 C GLU A 58 17.516 15.855 8.119 1.00 13.44 C ATOM 810 O GLU A 58 18.554 16.532 8.054 1.00 14.12 O ATOM 811 CB GLU A 58 16.200 15.644 5.947 1.00 8.46 C ATOM 812 CG GLU A 58 17.380 16.087 5.107 1.00 15.55 C ATOM 813 CD GLU A 58 17.475 15.320 3.820 1.00 23.14 C ATOM 814 OE1 GLU A 58 18.034 14.160 3.968 1.00 18.77 O ATOM 815 OE2 GLU A 58 17.088 15.745 2.752 1.00 27.62 O ATOM 816 HA GLU A 58 15.401 15.785 7.868 1.00 0.00 H ATOM 817 HB2 GLU A 58 16.205 14.556 6.018 1.00 0.00 H ATOM 818 HB3 GLU A 58 15.279 15.971 5.464 1.00 0.00 H ATOM 819 HG2 GLU A 58 17.271 17.147 4.878 1.00 0.00 H ATOM 820 HG3 GLU A 58 18.296 15.932 5.677 1.00 0.00 H ATOM 821 H GLU A 58 16.791 18.274 6.940 1.00 0.00 H ATOM 822 N TRP A 59 17.408 14.755 8.856 1.00 16.92 N ATOM 823 CA TRP A 59 18.482 14.215 9.678 1.00 20.16 C ATOM 824 C TRP A 59 18.509 12.704 9.538 1.00 15.63 C ATOM 825 O TRP A 59 17.465 12.083 9.606 1.00 10.71 O ATOM 826 CB TRP A 59 18.216 14.603 11.153 1.00 14.00 C ATOM 827 CG TRP A 59 19.147 13.950 12.106 1.00 11.66 C ATOM 828 CD1 TRP A 59 18.824 12.936 12.966 1.00 18.52 C ATOM 829 CD2 TRP A 59 20.536 14.262 12.330 1.00 9.68 C ATOM 830 NE1 TRP A 59 19.937 12.561 13.679 1.00 13.55 N ATOM 831 CE2 TRP A 59 21.002 13.365 13.313 1.00 9.32 C ATOM 832 CE3 TRP A 59 21.429 15.178 11.781 1.00 9.35 C ATOM 833 CZ2 TRP A 59 22.324 13.390 13.749 1.00 12.35 C ATOM 834 CZ3 TRP A 59 22.737 15.190 12.207 1.00 18.87 C ATOM 835 CH2 TRP A 59 23.177 14.309 13.191 1.00 18.64 C ATOM 836 HA TRP A 59 19.443 14.618 9.359 1.00 0.00 H ATOM 837 HB2 TRP A 59 18.320 15.684 11.252 1.00 0.00 H ATOM 838 HB3 TRP A 59 17.197 14.313 11.410 1.00 0.00 H ATOM 839 HE1 TRP A 59 19.973 11.795 14.382 1.00 0.00 H ATOM 840 HD1 TRP A 59 17.834 12.493 13.070 1.00 0.00 H ATOM 841 HZ2 TRP A 59 22.673 12.697 14.515 1.00 0.00 H ATOM 842 HH2 TRP A 59 24.214 14.350 13.523 1.00 0.00 H ATOM 843 HZ3 TRP A 59 23.439 15.899 11.768 1.00 0.00 H ATOM 844 HE3 TRP A 59 21.094 15.881 11.019 1.00 0.00 H ATOM 845 H TRP A 59 16.500 14.248 8.845 1.00 0.00 H ATOM 846 N PRO A 60 19.676 12.095 9.354 1.00 14.48 N ATOM 847 CA PRO A 60 19.662 10.656 9.209 1.00 17.67 C ATOM 848 C PRO A 60 19.260 9.846 10.443 1.00 15.57 C ATOM 849 O PRO A 60 19.590 10.176 11.591 1.00 16.79 O ATOM 850 CB PRO A 60 21.075 10.247 8.736 1.00 18.28 C ATOM 851 CG PRO A 60 21.800 11.529 8.326 1.00 14.17 C ATOM 852 CD PRO A 60 21.035 12.648 9.025 1.00 6.33 C ATOM 853 HA PRO A 60 18.875 10.417 8.494 1.00 0.00 H ATOM 854 HD3 PRO A 60 21.552 12.945 9.937 1.00 0.00 H ATOM 855 HD2 PRO A 60 20.941 13.510 8.365 1.00 0.00 H ATOM 856 HG3 PRO A 60 21.769 11.659 7.244 1.00 0.00 H ATOM 857 HG2 PRO A 60 22.838 11.507 8.658 1.00 0.00 H ATOM 858 HB2 PRO A 60 21.613 9.755 9.546 1.00 0.00 H ATOM 859 HB3 PRO A 60 21.003 9.569 7.885 1.00 0.00 H ATOM 860 N ILE A 61 18.552 8.752 10.164 1.00 14.66 N ATOM 861 CA ILE A 61 18.129 7.751 11.154 1.00 10.63 C ATOM 862 C ILE A 61 18.802 6.451 10.696 1.00 16.61 C ATOM 863 O ILE A 61 18.654 6.045 9.523 1.00 13.19 O ATOM 864 CB ILE A 61 16.631 7.681 11.468 1.00 16.30 C ATOM 865 CG1 ILE A 61 16.373 6.788 12.683 1.00 10.34 C ATOM 866 CG2 ILE A 61 15.795 7.279 10.262 1.00 20.68 C ATOM 867 CD1 ILE A 61 14.901 6.643 13.044 1.00 13.02 C ATOM 868 HA ILE A 61 18.457 8.028 12.156 1.00 0.00 H ATOM 869 HB ILE A 61 16.305 8.689 11.724 1.00 0.00 H ATOM 870 HG12 ILE A 61 16.773 5.797 12.471 1.00 0.00 H ATOM 871 HG13 ILE A 61 16.896 7.214 13.539 1.00 0.00 H ATOM 872 HD11 ILE A 61 14.486 7.625 13.272 1.00 0.00 H ATOM 873 HD12 ILE A 61 14.363 6.206 12.203 1.00 0.00 H ATOM 874 HD13 ILE A 61 14.804 5.995 13.915 1.00 0.00 H ATOM 875 HG21 ILE A 61 15.935 8.009 9.465 1.00 0.00 H ATOM 876 HG22 ILE A 61 16.110 6.295 9.915 1.00 0.00 H ATOM 877 HG23 ILE A 61 14.743 7.246 10.545 1.00 0.00 H ATOM 878 H ILE A 61 18.279 8.595 9.173 1.00 0.00 H ATOM 879 N LEU A 62 19.607 5.856 11.597 1.00 12.45 N ATOM 880 CA LEU A 62 20.405 4.646 11.344 1.00 14.22 C ATOM 881 C LEU A 62 19.729 3.350 11.735 1.00 16.34 C ATOM 882 O LEU A 62 19.129 3.249 12.802 1.00 16.29 O ATOM 883 CB LEU A 62 21.776 4.738 12.029 1.00 12.39 C ATOM 884 CG LEU A 62 22.594 5.938 11.565 1.00 19.18 C ATOM 885 CD1 LEU A 62 23.946 5.866 12.249 1.00 15.48 C ATOM 886 CD2 LEU A 62 22.793 5.863 10.059 1.00 18.75 C ATOM 887 HA LEU A 62 20.524 4.614 10.261 1.00 0.00 H ATOM 888 HB2 LEU A 62 21.622 4.817 13.105 1.00 0.00 H ATOM 889 HB3 LEU A 62 22.336 3.829 11.809 1.00 0.00 H ATOM 890 HG LEU A 62 22.083 6.868 11.812 1.00 0.00 H ATOM 891 HD21 LEU A 62 23.322 4.943 9.809 1.00 0.00 H ATOM 892 HD22 LEU A 62 21.822 5.871 9.565 1.00 0.00 H ATOM 893 HD23 LEU A 62 23.378 6.721 9.728 1.00 0.00 H ATOM 894 HD11 LEU A 62 23.807 5.896 13.330 1.00 0.00 H ATOM 895 HD12 LEU A 62 24.443 4.937 11.971 1.00 0.00 H ATOM 896 HD13 LEU A 62 24.556 6.714 11.936 1.00 0.00 H ATOM 897 H LEU A 62 19.669 6.284 12.543 1.00 0.00 H ATOM 898 N SER A 63 19.840 2.350 10.859 1.00 13.50 N ATOM 899 CA SER A 63 19.199 1.079 11.132 1.00 9.52 C ATOM 900 C SER A 63 19.671 0.467 12.428 1.00 12.65 C ATOM 901 O SER A 63 18.902 -0.212 13.095 1.00 16.47 O ATOM 902 CB SER A 63 19.314 0.093 9.977 1.00 10.45 C ATOM 903 OG SER A 63 20.674 -0.207 9.735 1.00 14.91 O ATOM 904 HA SER A 63 18.138 1.304 11.244 1.00 0.00 H ATOM 905 HB2 SER A 63 18.875 0.532 9.081 1.00 0.00 H ATOM 906 HB3 SER A 63 18.781 -0.824 10.229 1.00 0.00 H ATOM 907 HG SER A 63 20.741 -0.848 8.983 1.00 0.00 H ATOM 908 H SER A 63 20.385 2.482 9.983 1.00 0.00 H ATOM 909 N SER A 64 20.946 0.729 12.755 1.00 18.23 N ATOM 910 CA SER A 64 21.624 0.242 13.932 1.00 12.86 C ATOM 911 C SER A 64 21.051 0.729 15.237 1.00 24.69 C ATOM 912 O SER A 64 21.201 0.087 16.278 1.00 22.98 O ATOM 913 CB SER A 64 23.100 0.579 13.894 1.00 13.28 C ATOM 914 OG SER A 64 23.276 1.982 13.950 1.00 19.03 O ATOM 915 HA SER A 64 21.472 -0.837 13.901 1.00 0.00 H ATOM 916 HB2 SER A 64 23.535 0.197 12.970 1.00 0.00 H ATOM 917 HB3 SER A 64 23.598 0.118 14.747 1.00 0.00 H ATOM 918 HG SER A 64 24.243 2.193 13.925 1.00 0.00 H ATOM 919 H SER A 64 21.490 1.333 12.106 1.00 0.00 H ATOM 920 N GLY A 65 20.428 1.883 15.198 1.00 21.52 N ATOM 921 CA GLY A 65 19.878 2.461 16.409 1.00 16.62 C ATOM 922 C GLY A 65 20.854 3.481 17.000 1.00 25.61 C ATOM 923 O GLY A 65 20.603 4.128 18.010 1.00 19.46 O ATOM 924 HA3 GLY A 65 19.700 1.670 17.137 1.00 0.00 H ATOM 925 HA2 GLY A 65 18.936 2.957 16.176 1.00 0.00 H ATOM 926 H GLY A 65 20.328 2.386 14.293 1.00 0.00 H ATOM 927 N ASP A 66 22.002 3.622 16.361 1.00 15.13 N ATOM 928 CA ASP A 66 22.953 4.591 16.833 1.00 22.84 C ATOM 929 C ASP A 66 22.562 5.950 16.273 1.00 14.45 C ATOM 930 O ASP A 66 21.900 6.047 15.228 1.00 22.64 O ATOM 931 CB ASP A 66 24.388 4.339 16.363 1.00 10.52 C ATOM 932 CG ASP A 66 25.069 3.101 16.840 1.00 36.26 C ATOM 933 OD1 ASP A 66 24.963 2.913 18.132 1.00 44.41 O ATOM 934 OD2 ASP A 66 25.689 2.380 16.082 1.00 43.10 O ATOM 935 HA ASP A 66 22.933 4.532 17.921 1.00 0.00 H ATOM 936 HB2 ASP A 66 24.372 4.302 15.274 1.00 0.00 H ATOM 937 HB3 ASP A 66 24.990 5.187 16.688 1.00 0.00 H ATOM 938 H ASP A 66 22.215 3.039 15.527 1.00 0.00 H ATOM 939 N VAL A 67 22.987 7.001 16.968 1.00 16.11 N ATOM 940 CA VAL A 67 22.713 8.347 16.494 1.00 15.84 C ATOM 941 C VAL A 67 23.780 8.669 15.452 1.00 16.84 C ATOM 942 O VAL A 67 24.956 8.389 15.665 1.00 24.41 O ATOM 943 CB VAL A 67 22.659 9.357 17.649 1.00 18.64 C ATOM 944 CG1 VAL A 67 22.737 10.798 17.144 1.00 20.14 C ATOM 945 CG2 VAL A 67 21.333 9.173 18.400 1.00 18.98 C ATOM 946 HA VAL A 67 21.726 8.413 16.036 1.00 0.00 H ATOM 947 HB VAL A 67 23.514 9.176 18.301 1.00 0.00 H ATOM 948 HG11 VAL A 67 23.673 10.942 16.605 1.00 0.00 H ATOM 949 HG12 VAL A 67 21.898 10.994 16.477 1.00 0.00 H ATOM 950 HG13 VAL A 67 22.696 11.482 17.992 1.00 0.00 H ATOM 951 HG21 VAL A 67 20.502 9.346 17.716 1.00 0.00 H ATOM 952 HG22 VAL A 67 21.277 8.157 18.792 1.00 0.00 H ATOM 953 HG23 VAL A 67 21.282 9.885 19.224 1.00 0.00 H ATOM 954 H VAL A 67 23.516 6.859 17.852 1.00 0.00 H ATOM 955 N TYR A 68 23.362 9.222 14.320 1.00 20.28 N ATOM 956 CA TYR A 68 24.256 9.580 13.232 1.00 10.75 C ATOM 957 C TYR A 68 25.351 10.515 13.730 1.00 13.85 C ATOM 958 O TYR A 68 25.077 11.505 14.409 1.00 16.34 O ATOM 959 CB TYR A 68 23.456 10.231 12.084 1.00 14.96 C ATOM 960 CG TYR A 68 24.365 10.646 10.982 1.00 18.95 C ATOM 961 CD1 TYR A 68 24.982 9.652 10.231 1.00 11.91 C ATOM 962 CD2 TYR A 68 24.635 11.986 10.700 1.00 9.51 C ATOM 963 CE1 TYR A 68 25.849 9.979 9.197 1.00 13.32 C ATOM 964 CE2 TYR A 68 25.512 12.331 9.671 1.00 16.26 C ATOM 965 CZ TYR A 68 26.107 11.316 8.912 1.00 10.79 C ATOM 966 OH TYR A 68 26.988 11.585 7.904 1.00 11.47 O ATOM 967 HA TYR A 68 24.731 8.676 12.852 1.00 0.00 H ATOM 968 HB3 TYR A 68 22.931 11.107 12.465 1.00 0.00 H ATOM 969 HB2 TYR A 68 22.731 9.513 11.700 1.00 0.00 H ATOM 970 HD2 TYR A 68 24.157 12.769 11.288 1.00 0.00 H ATOM 971 HE2 TYR A 68 25.731 13.378 9.461 1.00 0.00 H ATOM 972 HE1 TYR A 68 26.325 9.192 8.612 1.00 0.00 H ATOM 973 HD1 TYR A 68 24.783 8.604 10.456 1.00 0.00 H ATOM 974 HH TYR A 68 27.291 10.735 7.496 1.00 0.00 H ATOM 975 H TYR A 68 22.345 9.408 14.206 1.00 0.00 H ATOM 976 N SER A 69 26.596 10.202 13.409 1.00 22.26 N ATOM 977 CA SER A 69 27.684 11.031 13.853 1.00 21.94 C ATOM 978 C SER A 69 28.726 11.372 12.780 1.00 27.55 C ATOM 979 O SER A 69 29.863 11.641 13.099 1.00 23.99 O ATOM 980 CB SER A 69 28.349 10.406 15.062 1.00 24.50 C ATOM 981 OG SER A 69 28.851 9.147 14.679 1.00 27.42 O ATOM 982 HA SER A 69 27.233 11.988 14.115 1.00 0.00 H ATOM 983 HB2 SER A 69 27.621 10.286 15.864 1.00 0.00 H ATOM 984 HB3 SER A 69 29.165 11.041 15.406 1.00 0.00 H ATOM 985 HG SER A 69 29.509 9.264 13.948 1.00 0.00 H ATOM 986 H SER A 69 26.788 9.356 12.835 1.00 0.00 H ATOM 987 N GLY A 70 28.371 11.409 11.503 1.00 18.98 N ATOM 988 CA GLY A 70 29.333 11.723 10.406 1.00 17.99 C ATOM 989 C GLY A 70 29.499 10.394 9.701 1.00 21.66 C ATOM 990 O GLY A 70 28.870 9.451 10.144 1.00 60.00 O ATOM 991 HA3 GLY A 70 30.283 12.074 10.808 1.00 0.00 H ATOM 992 HA2 GLY A 70 28.925 12.476 9.731 1.00 0.00 H ATOM 993 H GLY A 70 27.381 11.211 11.255 1.00 0.00 H ATOM 994 N GLY A 71 30.234 10.118 8.686 1.00 40.99 N ATOM 995 CA GLY A 71 30.054 8.684 8.379 1.00 20.02 C ATOM 996 C GLY A 71 28.907 8.458 7.401 1.00 15.38 C ATOM 997 O GLY A 71 28.211 9.404 7.055 1.00 13.51 O ATOM 998 HA3 GLY A 71 29.841 8.148 9.304 1.00 0.00 H ATOM 999 HA2 GLY A 71 30.974 8.298 7.940 1.00 0.00 H ATOM 1000 H GLY A 71 30.846 10.784 8.172 1.00 0.00 H ATOM 1001 N SER A 72 28.735 7.218 6.916 1.00 15.18 N ATOM 1002 CA SER A 72 27.676 6.920 5.961 1.00 12.27 C ATOM 1003 C SER A 72 26.316 7.188 6.571 1.00 15.42 C ATOM 1004 O SER A 72 26.005 6.683 7.635 1.00 16.86 O ATOM 1005 CB SER A 72 27.741 5.481 5.449 1.00 16.13 C ATOM 1006 OG SER A 72 26.735 5.281 4.466 1.00 19.25 O ATOM 1007 HA SER A 72 27.828 7.581 5.107 1.00 0.00 H ATOM 1008 HB2 SER A 72 27.580 4.792 6.279 1.00 0.00 H ATOM 1009 HB3 SER A 72 28.721 5.296 5.009 1.00 0.00 H ATOM 1010 HG SER A 72 26.882 5.906 3.713 1.00 0.00 H ATOM 1011 H SER A 72 29.370 6.456 7.228 1.00 0.00 H ATOM 1012 N PRO A 73 25.492 7.981 5.902 1.00 15.44 N ATOM 1013 CA PRO A 73 24.198 8.274 6.456 1.00 12.93 C ATOM 1014 C PRO A 73 23.107 7.266 6.086 1.00 13.16 C ATOM 1015 O PRO A 73 21.973 7.367 6.534 1.00 16.97 O ATOM 1016 CB PRO A 73 23.843 9.662 5.928 1.00 12.49 C ATOM 1017 CG PRO A 73 24.667 9.860 4.664 1.00 15.79 C ATOM 1018 CD PRO A 73 25.823 8.889 4.762 1.00 14.57 C ATOM 1019 HA PRO A 73 24.249 8.222 7.544 1.00 0.00 H ATOM 1020 HD3 PRO A 73 25.921 8.319 3.838 1.00 0.00 H ATOM 1021 HD2 PRO A 73 26.753 9.423 4.958 1.00 0.00 H ATOM 1022 HG3 PRO A 73 25.036 10.884 4.609 1.00 0.00 H ATOM 1023 HG2 PRO A 73 24.065 9.644 3.781 1.00 0.00 H ATOM 1024 HB2 PRO A 73 22.779 9.718 5.698 1.00 0.00 H ATOM 1025 HB3 PRO A 73 24.095 10.423 6.666 1.00 0.00 H ATOM 1026 N GLY A 74 23.397 6.280 5.252 1.00 10.28 N ATOM 1027 CA GLY A 74 22.329 5.376 4.940 1.00 10.17 C ATOM 1028 C GLY A 74 21.302 6.075 4.087 1.00 18.47 C ATOM 1029 O GLY A 74 21.560 7.140 3.551 1.00 18.21 O ATOM 1030 HA3 GLY A 74 21.861 5.035 5.864 1.00 0.00 H ATOM 1031 HA2 GLY A 74 22.727 4.518 4.398 1.00 0.00 H ATOM 1032 H GLY A 74 24.348 6.167 4.845 1.00 0.00 H ATOM 1033 N ALA A 75 20.131 5.473 3.957 1.00 13.06 N ATOM 1034 CA ALA A 75 19.080 6.037 3.118 1.00 15.00 C ATOM 1035 C ALA A 75 17.898 6.602 3.837 1.00 11.47 C ATOM 1036 O ALA A 75 17.092 7.255 3.198 1.00 13.84 O ATOM 1037 CB ALA A 75 18.535 4.949 2.202 1.00 17.62 C ATOM 1038 HA ALA A 75 19.568 6.862 2.599 1.00 0.00 H ATOM 1039 HB1 ALA A 75 19.340 4.567 1.575 1.00 0.00 H ATOM 1040 HB2 ALA A 75 18.127 4.138 2.806 1.00 0.00 H ATOM 1041 HB3 ALA A 75 17.749 5.366 1.573 1.00 0.00 H ATOM 1042 H ALA A 75 19.957 4.581 4.463 1.00 0.00 H ATOM 1043 N ASP A 76 17.778 6.347 5.140 1.00 14.23 N ATOM 1044 CA ASP A 76 16.633 6.793 5.914 1.00 10.55 C ATOM 1045 C ASP A 76 16.794 8.132 6.585 1.00 15.84 C ATOM 1046 O ASP A 76 17.884 8.446 7.033 1.00 14.98 O ATOM 1047 CB ASP A 76 16.246 5.718 6.935 1.00 11.05 C ATOM 1048 CG ASP A 76 16.135 4.376 6.272 1.00 21.65 C ATOM 1049 OD1 ASP A 76 15.828 4.240 5.113 1.00 15.10 O ATOM 1050 OD2 ASP A 76 16.413 3.384 7.064 1.00 11.55 O ATOM 1051 HA ASP A 76 15.831 6.943 5.191 1.00 0.00 H ATOM 1052 HB2 ASP A 76 17.008 5.672 7.713 1.00 0.00 H ATOM 1053 HB3 ASP A 76 15.287 5.977 7.383 1.00 0.00 H ATOM 1054 H ASP A 76 18.530 5.811 5.618 1.00 0.00 H ATOM 1055 N ARG A 77 15.692 8.900 6.644 1.00 12.03 N ATOM 1056 CA ARG A 77 15.709 10.232 7.259 1.00 16.94 C ATOM 1057 C ARG A 77 14.492 10.543 8.082 1.00 10.87 C ATOM 1058 O ARG A 77 13.377 10.149 7.773 1.00 17.97 O ATOM 1059 CB ARG A 77 15.779 11.394 6.250 1.00 10.60 C ATOM 1060 CG ARG A 77 16.781 11.241 5.098 1.00 6.99 C ATOM 1061 CD ARG A 77 18.227 11.570 5.460 1.00 11.37 C ATOM 1062 NE ARG A 77 19.149 11.341 4.333 1.00 12.63 N ATOM 1063 CZ ARG A 77 19.963 10.280 4.207 1.00 14.53 C ATOM 1064 NH1 ARG A 77 20.003 9.305 5.091 1.00 15.80 N ATOM 1065 NH2 ARG A 77 20.747 10.174 3.150 1.00 11.22 N ATOM 1066 HA ARG A 77 16.610 10.170 7.869 1.00 0.00 H ATOM 1067 HB2 ARG A 77 14.788 11.514 5.813 1.00 0.00 H ATOM 1068 HB3 ARG A 77 16.043 12.296 6.801 1.00 0.00 H ATOM 1069 HG2 ARG A 77 16.744 10.208 4.751 1.00 0.00 H ATOM 1070 HG3 ARG A 77 16.474 11.905 4.290 1.00 0.00 H ATOM 1071 HD2 ARG A 77 18.532 10.941 6.296 1.00 0.00 H ATOM 1072 HD3 ARG A 77 18.286 12.618 5.755 1.00 0.00 H ATOM 1073 HE ARG A 77 19.171 12.056 3.578 1.00 0.00 H ATOM 1074 HH12 ARG A 77 20.650 8.503 4.951 1.00 0.00 H ATOM 1075 HH11 ARG A 77 19.388 9.337 5.929 1.00 0.00 H ATOM 1076 HH22 ARG A 77 21.378 9.353 3.051 1.00 0.00 H ATOM 1077 HH21 ARG A 77 20.734 10.911 2.417 1.00 0.00 H ATOM 1078 H ARG A 77 14.803 8.540 6.243 1.00 0.00 H ATOM 1079 N VAL A 78 14.729 11.308 9.138 1.00 15.75 N ATOM 1080 CA VAL A 78 13.673 11.785 9.998 1.00 10.39 C ATOM 1081 C VAL A 78 13.503 13.251 9.512 1.00 11.52 C ATOM 1082 O VAL A 78 14.485 13.944 9.231 1.00 12.52 O ATOM 1083 CB VAL A 78 14.069 11.653 11.497 1.00 19.89 C ATOM 1084 CG1 VAL A 78 13.636 12.848 12.334 1.00 29.12 C ATOM 1085 CG2 VAL A 78 13.506 10.375 12.101 1.00 31.22 C ATOM 1086 HA VAL A 78 12.741 11.223 9.940 1.00 0.00 H ATOM 1087 HB VAL A 78 15.158 11.617 11.517 1.00 0.00 H ATOM 1088 HG11 VAL A 78 14.106 13.752 11.945 1.00 0.00 H ATOM 1089 HG12 VAL A 78 12.552 12.951 12.285 1.00 0.00 H ATOM 1090 HG13 VAL A 78 13.941 12.695 13.369 1.00 0.00 H ATOM 1091 HG21 VAL A 78 12.419 10.388 12.027 1.00 0.00 H ATOM 1092 HG22 VAL A 78 13.898 9.515 11.559 1.00 0.00 H ATOM 1093 HG23 VAL A 78 13.799 10.310 13.149 1.00 0.00 H ATOM 1094 H VAL A 78 15.711 11.574 9.354 1.00 0.00 H ATOM 1095 N VAL A 79 12.284 13.719 9.353 1.00 13.72 N ATOM 1096 CA VAL A 79 12.049 15.087 8.906 1.00 15.60 C ATOM 1097 C VAL A 79 11.369 15.854 10.042 1.00 14.03 C ATOM 1098 O VAL A 79 10.301 15.438 10.535 1.00 19.14 O ATOM 1099 CB VAL A 79 11.227 15.171 7.597 1.00 17.71 C ATOM 1100 CG1 VAL A 79 10.882 16.619 7.241 1.00 15.89 C ATOM 1101 CG2 VAL A 79 11.956 14.498 6.445 1.00 10.91 C ATOM 1102 HA VAL A 79 13.011 15.539 8.666 1.00 0.00 H ATOM 1103 HB VAL A 79 10.293 14.637 7.769 1.00 0.00 H ATOM 1104 HG11 VAL A 79 10.294 17.060 8.046 1.00 0.00 H ATOM 1105 HG12 VAL A 79 11.802 17.188 7.108 1.00 0.00 H ATOM 1106 HG13 VAL A 79 10.305 16.637 6.316 1.00 0.00 H ATOM 1107 HG21 VAL A 79 12.915 14.991 6.286 1.00 0.00 H ATOM 1108 HG22 VAL A 79 12.121 13.448 6.685 1.00 0.00 H ATOM 1109 HG23 VAL A 79 11.352 14.574 5.541 1.00 0.00 H ATOM 1110 H VAL A 79 11.471 13.101 9.550 1.00 0.00 H ATOM 1111 N PHE A 80 11.988 16.961 10.486 1.00 13.08 N ATOM 1112 CA PHE A 80 11.406 17.771 11.554 1.00 18.57 C ATOM 1113 C PHE A 80 11.300 19.249 11.119 1.00 20.49 C ATOM 1114 O PHE A 80 11.975 19.682 10.189 1.00 13.59 O ATOM 1115 CB PHE A 80 12.116 17.568 12.913 1.00 11.09 C ATOM 1116 CG PHE A 80 13.575 17.933 12.819 1.00 18.31 C ATOM 1117 CD1 PHE A 80 13.979 19.258 12.947 1.00 13.29 C ATOM 1118 CD2 PHE A 80 14.557 16.976 12.579 1.00 19.68 C ATOM 1119 CE1 PHE A 80 15.314 19.638 12.861 1.00 11.07 C ATOM 1120 CE2 PHE A 80 15.902 17.333 12.479 1.00 17.42 C ATOM 1121 CZ PHE A 80 16.283 18.666 12.624 1.00 21.82 C ATOM 1122 HA PHE A 80 10.388 17.421 11.727 1.00 0.00 H ATOM 1123 HB2 PHE A 80 11.638 18.198 13.663 1.00 0.00 H ATOM 1124 HB3 PHE A 80 12.028 16.523 13.209 1.00 0.00 H ATOM 1125 HD2 PHE A 80 14.270 15.930 12.467 1.00 0.00 H ATOM 1126 HE2 PHE A 80 16.655 16.569 12.287 1.00 0.00 H ATOM 1127 HZ PHE A 80 17.334 18.946 12.552 1.00 0.00 H ATOM 1128 HE1 PHE A 80 15.599 20.684 12.978 1.00 0.00 H ATOM 1129 HD1 PHE A 80 13.224 20.024 13.121 1.00 0.00 H ATOM 1130 H PHE A 80 12.895 17.245 10.063 1.00 0.00 H ATOM 1131 N ASN A 81 10.447 20.036 11.773 1.00 12.85 N ATOM 1132 CA ASN A 81 10.308 21.446 11.414 1.00 15.65 C ATOM 1133 C ASN A 81 11.026 22.384 12.382 1.00 29.15 C ATOM 1134 O ASN A 81 11.679 21.945 13.345 1.00 11.46 O ATOM 1135 CB ASN A 81 8.842 21.869 11.073 1.00 16.01 C ATOM 1136 CG ASN A 81 7.950 22.076 12.292 1.00 20.46 C ATOM 1137 OD1 ASN A 81 8.373 21.933 13.460 1.00 19.33 O ATOM 1138 ND2 ASN A 81 6.704 22.430 12.031 1.00 20.99 N ATOM 1139 HA ASN A 81 10.840 21.560 10.469 1.00 0.00 H ATOM 1140 HB2 ASN A 81 8.877 22.803 10.513 1.00 0.00 H ATOM 1141 HB3 ASN A 81 8.397 21.091 10.452 1.00 0.00 H ATOM 1142 HD22 ASN A 81 6.390 22.539 11.046 1.00 0.00 H ATOM 1143 HD21 ASN A 81 6.037 22.600 12.811 1.00 0.00 H ATOM 1144 H ASN A 81 9.874 19.643 12.547 1.00 0.00 H ATOM 1145 N GLU A 82 10.908 23.684 12.109 1.00 19.24 N ATOM 1146 CA GLU A 82 11.540 24.715 12.901 1.00 24.38 C ATOM 1147 C GLU A 82 11.208 24.643 14.377 1.00 23.87 C ATOM 1148 O GLU A 82 12.005 25.041 15.222 1.00 29.37 O ATOM 1149 CB GLU A 82 11.182 26.097 12.339 1.00 18.33 C ATOM 1150 CG GLU A 82 12.258 27.170 12.596 1.00 16.89 C ATOM 1151 CD GLU A 82 13.601 26.879 11.977 1.00 24.51 C ATOM 1152 OE1 GLU A 82 13.608 26.915 10.674 1.00 27.01 O ATOM 1153 OE2 GLU A 82 14.587 26.653 12.637 1.00 33.34 O ATOM 1154 HA GLU A 82 12.614 24.546 12.828 1.00 0.00 H ATOM 1155 HB2 GLU A 82 11.039 26.004 11.262 1.00 0.00 H ATOM 1156 HB3 GLU A 82 10.251 26.426 12.801 1.00 0.00 H ATOM 1157 HG2 GLU A 82 11.897 28.116 12.193 1.00 0.00 H ATOM 1158 HG3 GLU A 82 12.394 27.263 13.673 1.00 0.00 H ATOM 1159 H GLU A 82 10.335 23.969 11.289 1.00 0.00 H ATOM 1160 N ASN A 83 10.014 24.133 14.670 1.00 21.16 N ATOM 1161 CA ASN A 83 9.511 23.996 16.031 1.00 18.16 C ATOM 1162 C ASN A 83 9.716 22.621 16.677 1.00 24.03 C ATOM 1163 O ASN A 83 9.045 22.254 17.654 1.00 20.58 O ATOM 1164 CB ASN A 83 8.039 24.410 16.088 1.00 18.92 C ATOM 1165 CG ASN A 83 7.927 25.892 16.350 1.00 60.00 C ATOM 1166 OD1 ASN A 83 8.543 26.420 17.300 1.00 57.94 O ATOM 1167 ND2 ASN A 83 7.166 26.560 15.488 1.00 54.56 N ATOM 1168 HA ASN A 83 10.122 24.669 16.632 1.00 0.00 H ATOM 1169 HB2 ASN A 83 7.561 24.174 15.137 1.00 0.00 H ATOM 1170 HB3 ASN A 83 7.541 23.863 16.889 1.00 0.00 H ATOM 1171 HD22 ASN A 83 6.682 26.053 14.720 1.00 0.00 H ATOM 1172 HD21 ASN A 83 7.055 27.590 15.582 1.00 0.00 H ATOM 1173 H ASN A 83 9.408 23.816 13.887 1.00 0.00 H ATOM 1174 N ASN A 84 10.652 21.850 16.137 1.00 14.73 N ATOM 1175 CA ASN A 84 10.917 20.540 16.687 1.00 19.51 C ATOM 1176 C ASN A 84 9.690 19.617 16.669 1.00 24.74 C ATOM 1177 O ASN A 84 9.425 18.871 17.597 1.00 16.17 O ATOM 1178 CB ASN A 84 11.541 20.644 18.089 1.00 21.88 C ATOM 1179 CG ASN A 84 12.318 19.419 18.535 1.00 17.33 C ATOM 1180 OD1 ASN A 84 12.511 18.456 17.651 1.00 22.08 O ATOM 1181 ND2 ASN A 84 12.758 19.354 19.678 1.00 40.90 N ATOM 1182 HA ASN A 84 11.647 20.068 16.030 1.00 0.00 H ATOM 1183 HB2 ASN A 84 12.220 21.497 18.095 1.00 0.00 H ATOM 1184 HB3 ASN A 84 10.738 20.815 18.806 1.00 0.00 H ATOM 1185 HD22 ASN A 84 12.586 20.132 20.346 1.00 0.00 H ATOM 1186 HD21 ASN A 84 13.303 18.521 19.979 1.00 0.00 H ATOM 1187 H ASN A 84 11.195 22.189 15.317 1.00 0.00 H ATOM 1188 N GLN A 85 8.922 19.670 15.601 1.00 20.29 N ATOM 1189 CA GLN A 85 7.758 18.825 15.451 1.00 15.83 C ATOM 1190 C GLN A 85 8.077 17.843 14.341 1.00 13.70 C ATOM 1191 O GLN A 85 8.610 18.245 13.305 1.00 18.27 O ATOM 1192 CB GLN A 85 6.496 19.589 15.007 1.00 13.40 C ATOM 1193 CG GLN A 85 5.894 20.526 16.054 1.00 19.66 C ATOM 1194 CD GLN A 85 4.772 21.319 15.423 1.00 37.53 C ATOM 1195 OE1 GLN A 85 5.015 22.211 14.588 1.00 44.31 O ATOM 1196 NE2 GLN A 85 3.542 20.967 15.783 1.00 39.96 N ATOM 1197 HA GLN A 85 7.551 18.368 16.419 1.00 0.00 H ATOM 1198 HB2 GLN A 85 6.754 20.184 14.131 1.00 0.00 H ATOM 1199 HB3 GLN A 85 5.737 18.856 14.736 1.00 0.00 H ATOM 1200 HG2 GLN A 85 5.504 19.941 16.887 1.00 0.00 H ATOM 1201 HG3 GLN A 85 6.662 21.207 16.419 1.00 0.00 H ATOM 1202 HE22 GLN A 85 3.401 20.214 16.486 1.00 0.00 H ATOM 1203 HE21 GLN A 85 2.720 21.445 15.361 1.00 0.00 H ATOM 1204 H GLN A 85 9.160 20.340 14.842 1.00 0.00 H ATOM 1205 N LEU A 86 7.738 16.583 14.570 1.00 18.12 N ATOM 1206 CA LEU A 86 7.965 15.519 13.616 1.00 17.58 C ATOM 1207 C LEU A 86 7.074 15.691 12.396 1.00 16.97 C ATOM 1208 O LEU A 86 5.865 15.785 12.520 1.00 19.15 O ATOM 1209 CB LEU A 86 7.743 14.135 14.287 1.00 26.19 C ATOM 1210 CG LEU A 86 8.037 12.900 13.413 1.00 22.76 C ATOM 1211 CD1 LEU A 86 9.529 12.760 13.111 1.00 12.55 C ATOM 1212 CD2 LEU A 86 7.597 11.648 14.162 1.00 21.16 C ATOM 1213 HA LEU A 86 9.000 15.568 13.279 1.00 0.00 H ATOM 1214 HB2 LEU A 86 8.388 14.083 15.164 1.00 0.00 H ATOM 1215 HB3 LEU A 86 6.700 14.080 14.600 1.00 0.00 H ATOM 1216 HG LEU A 86 7.496 13.022 12.475 1.00 0.00 H ATOM 1217 HD21 LEU A 86 8.147 11.575 15.100 1.00 0.00 H ATOM 1218 HD22 LEU A 86 6.529 11.707 14.370 1.00 0.00 H ATOM 1219 HD23 LEU A 86 7.802 10.769 13.550 1.00 0.00 H ATOM 1220 HD11 LEU A 86 9.876 13.646 12.580 1.00 0.00 H ATOM 1221 HD12 LEU A 86 10.080 12.657 14.046 1.00 0.00 H ATOM 1222 HD13 LEU A 86 9.692 11.877 12.493 1.00 0.00 H ATOM 1223 H LEU A 86 7.288 16.348 15.478 1.00 0.00 H ATOM 1224 N ALA A 87 7.688 15.748 11.222 1.00 13.68 N ATOM 1225 CA ALA A 87 6.958 15.894 9.976 1.00 20.03 C ATOM 1226 C ALA A 87 6.690 14.508 9.406 1.00 33.12 C ATOM 1227 O ALA A 87 5.575 14.198 8.993 1.00 20.06 O ATOM 1228 CB ALA A 87 7.738 16.753 8.985 1.00 20.97 C ATOM 1229 HA ALA A 87 6.011 16.400 10.163 1.00 0.00 H ATOM 1230 HB1 ALA A 87 7.902 17.742 9.414 1.00 0.00 H ATOM 1231 HB2 ALA A 87 8.699 16.282 8.776 1.00 0.00 H ATOM 1232 HB3 ALA A 87 7.169 16.846 8.060 1.00 0.00 H ATOM 1233 H ALA A 87 8.726 15.686 11.193 1.00 0.00 H ATOM 1234 N GLY A 88 7.726 13.666 9.412 1.00 21.67 N ATOM 1235 CA GLY A 88 7.615 12.301 8.910 1.00 29.33 C ATOM 1236 C GLY A 88 8.950 11.567 8.854 1.00 27.65 C ATOM 1237 O GLY A 88 9.978 12.106 9.213 1.00 15.08 O ATOM 1238 HA3 GLY A 88 7.197 12.335 7.904 1.00 0.00 H ATOM 1239 HA2 GLY A 88 6.942 11.746 9.563 1.00 0.00 H ATOM 1240 H GLY A 88 8.640 13.993 9.786 1.00 0.00 H ATOM 1241 N VAL A 89 8.910 10.312 8.409 1.00 20.37 N ATOM 1242 CA VAL A 89 10.086 9.457 8.263 1.00 19.97 C ATOM 1243 C VAL A 89 10.086 9.042 6.801 1.00 17.14 C ATOM 1244 O VAL A 89 9.094 8.508 6.304 1.00 15.68 O ATOM 1245 CB VAL A 89 10.082 8.248 9.207 1.00 29.88 C ATOM 1246 CG1 VAL A 89 11.403 7.493 9.087 1.00 20.23 C ATOM 1247 CG2 VAL A 89 9.872 8.696 10.654 1.00 13.83 C ATOM 1248 HA VAL A 89 10.994 9.992 8.540 1.00 0.00 H ATOM 1249 HB VAL A 89 9.261 7.589 8.924 1.00 0.00 H ATOM 1250 HG11 VAL A 89 11.531 7.149 8.061 1.00 0.00 H ATOM 1251 HG12 VAL A 89 12.225 8.157 9.355 1.00 0.00 H ATOM 1252 HG13 VAL A 89 11.393 6.636 9.760 1.00 0.00 H ATOM 1253 HG21 VAL A 89 10.678 9.370 10.945 1.00 0.00 H ATOM 1254 HG22 VAL A 89 8.916 9.213 10.738 1.00 0.00 H ATOM 1255 HG23 VAL A 89 9.872 7.823 11.307 1.00 0.00 H ATOM 1256 H VAL A 89 7.984 9.916 8.149 1.00 0.00 H ATOM 1257 N ILE A 90 11.166 9.333 6.098 1.00 10.46 N ATOM 1258 CA ILE A 90 11.220 9.034 4.672 1.00 14.52 C ATOM 1259 C ILE A 90 12.497 8.312 4.315 1.00 12.95 C ATOM 1260 O ILE A 90 13.419 8.269 5.126 1.00 15.65 O ATOM 1261 CB ILE A 90 11.135 10.351 3.873 1.00 13.30 C ATOM 1262 CG1 ILE A 90 12.292 11.275 4.307 1.00 16.97 C ATOM 1263 CG2 ILE A 90 9.806 11.035 4.113 1.00 9.20 C ATOM 1264 CD1 ILE A 90 12.403 12.586 3.528 1.00 19.16 C ATOM 1265 HA ILE A 90 10.379 8.387 4.423 1.00 0.00 H ATOM 1266 HB ILE A 90 11.216 10.132 2.808 1.00 0.00 H ATOM 1267 HG12 ILE A 90 12.153 11.519 5.360 1.00 0.00 H ATOM 1268 HG13 ILE A 90 13.226 10.728 4.182 1.00 0.00 H ATOM 1269 HD11 ILE A 90 12.558 12.367 2.471 1.00 0.00 H ATOM 1270 HD12 ILE A 90 11.484 13.159 3.651 1.00 0.00 H ATOM 1271 HD13 ILE A 90 13.246 13.163 3.909 1.00 0.00 H ATOM 1272 HG21 ILE A 90 8.997 10.376 3.796 1.00 0.00 H ATOM 1273 HG22 ILE A 90 9.700 11.258 5.175 1.00 0.00 H ATOM 1274 HG23 ILE A 90 9.767 11.962 3.540 1.00 0.00 H ATOM 1275 H ILE A 90 11.982 9.778 6.564 1.00 0.00 H ATOM 1276 N THR A 91 12.539 7.772 3.093 1.00 16.34 N ATOM 1277 CA THR A 91 13.701 7.038 2.634 1.00 15.32 C ATOM 1278 C THR A 91 13.983 7.155 1.131 1.00 13.42 C ATOM 1279 O THR A 91 13.093 7.276 0.310 1.00 9.30 O ATOM 1280 CB THR A 91 13.564 5.528 3.038 1.00 10.11 C ATOM 1281 OG1 THR A 91 14.745 4.808 2.760 1.00 14.66 O ATOM 1282 CG2 THR A 91 12.393 4.850 2.332 1.00 11.28 C ATOM 1283 HA THR A 91 14.557 7.499 3.127 1.00 0.00 H ATOM 1284 HB THR A 91 13.380 5.519 4.112 1.00 0.00 H ATOM 1285 HG1 THR A 91 15.498 5.202 3.269 1.00 0.00 H ATOM 1286 HG23 THR A 91 11.476 5.400 2.542 1.00 0.00 H ATOM 1287 HG21 THR A 91 12.575 4.840 1.257 1.00 0.00 H ATOM 1288 HG22 THR A 91 12.295 3.827 2.694 1.00 0.00 H ATOM 1289 H THR A 91 11.722 7.881 2.459 1.00 0.00 H ATOM 1290 N HIS A 92 15.258 7.061 0.776 1.00 14.74 N ATOM 1291 CA HIS A 92 15.642 7.082 -0.610 1.00 12.09 C ATOM 1292 C HIS A 92 15.463 5.639 -1.142 1.00 13.15 C ATOM 1293 O HIS A 92 15.432 5.361 -2.340 1.00 16.02 O ATOM 1294 CB HIS A 92 17.119 7.435 -0.713 1.00 7.49 C ATOM 1295 CG HIS A 92 17.413 8.888 -0.614 1.00 18.84 C ATOM 1296 ND1 HIS A 92 16.744 9.821 -1.369 1.00 19.47 N ATOM 1297 CD2 HIS A 92 18.324 9.531 0.160 1.00 12.87 C ATOM 1298 CE1 HIS A 92 17.265 10.995 -1.055 1.00 23.68 C ATOM 1299 NE2 HIS A 92 18.208 10.848 -0.134 1.00 23.79 N ATOM 1300 HA HIS A 92 15.047 7.805 -1.169 1.00 0.00 H ATOM 1301 HB2 HIS A 92 17.648 6.925 0.092 1.00 0.00 H ATOM 1302 HB3 HIS A 92 17.489 7.077 -1.674 1.00 0.00 H ATOM 1303 HD2 HIS A 92 19.011 9.078 0.875 1.00 0.00 H ATOM 1304 HE1 HIS A 92 16.963 11.947 -1.491 1.00 0.00 H ATOM 1305 H HIS A 92 15.990 6.971 1.510 1.00 0.00 H ATOM 1306 N THR A 93 15.363 4.690 -0.218 1.00 14.45 N ATOM 1307 CA THR A 93 15.217 3.271 -0.591 1.00 11.69 C ATOM 1308 C THR A 93 14.021 3.031 -1.453 1.00 15.38 C ATOM 1309 O THR A 93 12.894 3.271 -1.003 1.00 16.50 O ATOM 1310 CB THR A 93 15.242 2.268 0.587 1.00 11.71 C ATOM 1311 OG1 THR A 93 16.535 2.263 1.125 1.00 14.78 O ATOM 1312 CG2 THR A 93 14.954 0.859 0.045 1.00 13.88 C ATOM 1313 HA THR A 93 16.120 3.069 -1.167 1.00 0.00 H ATOM 1314 HB THR A 93 14.502 2.548 1.337 1.00 0.00 H ATOM 1315 HG1 THR A 93 17.181 1.987 0.427 1.00 0.00 H ATOM 1316 HG23 THR A 93 13.951 0.833 -0.381 1.00 0.00 H ATOM 1317 HG21 THR A 93 15.684 0.611 -0.725 1.00 0.00 H ATOM 1318 HG22 THR A 93 15.023 0.137 0.859 1.00 0.00 H ATOM 1319 H THR A 93 15.388 4.953 0.788 1.00 0.00 H ATOM 1320 N GLY A 94 14.249 2.548 -2.687 1.00 15.92 N ATOM 1321 CA GLY A 94 13.102 2.297 -3.551 1.00 11.08 C ATOM 1322 C GLY A 94 12.580 3.530 -4.314 1.00 15.61 C ATOM 1323 O GLY A 94 11.482 3.492 -4.847 1.00 13.58 O ATOM 1324 HA3 GLY A 94 12.290 1.913 -2.933 1.00 0.00 H ATOM 1325 HA2 GLY A 94 13.388 1.542 -4.283 1.00 0.00 H ATOM 1326 H GLY A 94 15.217 2.359 -3.016 1.00 0.00 H ATOM 1327 N ALA A 95 13.378 4.608 -4.368 1.00 13.38 N ATOM 1328 CA ALA A 95 13.062 5.835 -5.097 1.00 11.21 C ATOM 1329 C ALA A 95 14.243 6.117 -6.005 1.00 12.51 C ATOM 1330 O ALA A 95 15.374 5.796 -5.664 1.00 16.64 O ATOM 1331 CB ALA A 95 12.793 7.029 -4.181 1.00 10.07 C ATOM 1332 HA ALA A 95 12.139 5.691 -5.659 1.00 0.00 H ATOM 1333 HB1 ALA A 95 11.947 6.804 -3.532 1.00 0.00 H ATOM 1334 HB2 ALA A 95 13.676 7.225 -3.573 1.00 0.00 H ATOM 1335 HB3 ALA A 95 12.565 7.906 -4.787 1.00 0.00 H ATOM 1336 H ALA A 95 14.283 4.568 -3.856 1.00 0.00 H ATOM 1337 N SER A 96 14.014 6.687 -7.179 1.00 21.80 N ATOM 1338 CA SER A 96 15.146 6.966 -8.052 1.00 25.07 C ATOM 1339 C SER A 96 15.735 8.324 -7.773 1.00 33.47 C ATOM 1340 O SER A 96 15.061 9.193 -7.247 1.00 23.52 O ATOM 1341 CB SER A 96 14.797 6.876 -9.528 1.00 33.67 C ATOM 1342 OG SER A 96 13.574 7.530 -9.772 1.00 54.17 O ATOM 1343 HA SER A 96 15.879 6.191 -7.829 1.00 0.00 H ATOM 1344 HB2 SER A 96 14.711 5.828 -9.816 1.00 0.00 H ATOM 1345 HB3 SER A 96 15.584 7.349 -10.115 1.00 0.00 H ATOM 1346 HG SER A 96 13.354 7.467 -10.735 1.00 0.00 H ATOM 1347 H SER A 96 13.046 6.930 -7.471 1.00 0.00 H ATOM 1348 N GLY A 97 16.985 8.496 -8.138 1.00 30.60 N ATOM 1349 CA GLY A 97 17.637 9.756 -7.953 1.00 30.49 C ATOM 1350 C GLY A 97 17.772 10.191 -6.530 1.00 26.57 C ATOM 1351 O GLY A 97 18.130 9.457 -5.623 1.00 56.11 O ATOM 1352 HA3 GLY A 97 17.065 10.515 -8.487 1.00 0.00 H ATOM 1353 HA2 GLY A 97 18.636 9.687 -8.383 1.00 0.00 H ATOM 1354 H GLY A 97 17.508 7.706 -8.567 1.00 0.00 H ATOM 1355 N ASN A 98 17.477 11.424 -6.389 1.00 42.83 N ATOM 1356 CA ASN A 98 17.557 12.115 -5.171 1.00 32.27 C ATOM 1357 C ASN A 98 16.196 12.137 -4.475 1.00 29.03 C ATOM 1358 O ASN A 98 16.016 12.754 -3.437 1.00 34.65 O ATOM 1359 CB ASN A 98 17.976 13.500 -5.675 1.00 36.08 C ATOM 1360 CG ASN A 98 19.468 13.726 -5.666 1.00 60.00 C ATOM 1361 OD1 ASN A 98 19.936 14.400 -4.734 1.00 60.00 O ATOM 1362 HA ASN A 98 18.231 11.689 -4.428 1.00 0.00 H ATOM 1363 HB2 ASN A 98 17.617 13.617 -6.697 1.00 0.00 H ATOM 1364 HB3 ASN A 98 17.510 14.253 -5.039 1.00 0.00 H ATOM 1365 H ASN A 98 17.158 11.949 -7.228 1.00 0.00 H ATOM 1366 N ASN A 99 15.231 11.426 -5.054 1.00 20.24 N ATOM 1367 CA ASN A 99 13.889 11.383 -4.523 1.00 14.70 C ATOM 1368 C ASN A 99 13.716 10.500 -3.321 1.00 12.66 C ATOM 1369 O ASN A 99 14.651 9.803 -2.919 1.00 14.98 O ATOM 1370 CB ASN A 99 12.824 11.145 -5.588 1.00 23.17 C ATOM 1371 CG ASN A 99 12.880 12.212 -6.682 1.00 22.31 C ATOM 1372 OD1 ASN A 99 13.420 11.836 -7.835 1.00 60.00 O ATOM 1373 ND2 ASN A 99 12.460 13.355 -6.486 1.00 54.15 N ATOM 1374 HA ASN A 99 13.725 12.393 -4.147 1.00 0.00 H ATOM 1375 HB2 ASN A 99 12.986 10.166 -6.039 1.00 0.00 H ATOM 1376 HB3 ASN A 99 11.841 11.170 -5.118 1.00 0.00 H ATOM 1377 HD22 ASN A 99 12.044 13.606 -5.566 1.00 0.00 H ATOM 1378 HD21 ASN A 99 12.522 14.068 -7.240 1.00 0.00 H ATOM 1379 H ASN A 99 15.450 10.885 -5.915 1.00 0.00 H ATOM 1380 N PHE A 100 12.511 10.595 -2.746 1.00 14.54 N ATOM 1381 CA PHE A 100 12.156 9.830 -1.568 1.00 12.68 C ATOM 1382 C PHE A 100 10.805 9.177 -1.694 1.00 13.53 C ATOM 1383 O PHE A 100 10.023 9.455 -2.587 1.00 23.16 O ATOM 1384 CB PHE A 100 12.004 10.738 -0.319 1.00 11.15 C ATOM 1385 CG PHE A 100 13.276 11.362 0.187 1.00 16.41 C ATOM 1386 CD1 PHE A 100 14.077 10.724 1.138 1.00 19.67 C ATOM 1387 CD2 PHE A 100 13.683 12.605 -0.289 1.00 16.40 C ATOM 1388 CE1 PHE A 100 15.260 11.299 1.604 1.00 15.84 C ATOM 1389 CE2 PHE A 100 14.866 13.193 0.158 1.00 22.82 C ATOM 1390 CZ PHE A 100 15.650 12.543 1.111 1.00 17.97 C ATOM 1391 HA PHE A 100 12.960 9.101 -1.470 1.00 0.00 H ATOM 1392 HB2 PHE A 100 11.312 11.542 -0.570 1.00 0.00 H ATOM 1393 HB3 PHE A 100 11.582 10.135 0.485 1.00 0.00 H ATOM 1394 HD2 PHE A 100 13.068 13.127 -1.022 1.00 0.00 H ATOM 1395 HE2 PHE A 100 15.178 14.160 -0.237 1.00 0.00 H ATOM 1396 HZ PHE A 100 16.568 13.008 1.470 1.00 0.00 H ATOM 1397 HE1 PHE A 100 15.871 10.782 2.344 1.00 0.00 H ATOM 1398 HD1 PHE A 100 13.770 9.753 1.526 1.00 0.00 H ATOM 1399 H PHE A 100 11.806 11.239 -3.158 1.00 0.00 H ATOM 1400 N VAL A 101 10.539 8.327 -0.720 1.00 12.51 N ATOM 1401 CA VAL A 101 9.270 7.653 -0.523 1.00 17.44 C ATOM 1402 C VAL A 101 9.013 7.702 0.987 1.00 11.25 C ATOM 1403 O VAL A 101 9.955 7.781 1.778 1.00 11.30 O ATOM 1404 CB VAL A 101 9.118 6.229 -1.084 1.00 23.87 C ATOM 1405 CG1 VAL A 101 9.448 6.165 -2.570 1.00 25.55 C ATOM 1406 CG2 VAL A 101 9.920 5.219 -0.280 1.00 13.13 C ATOM 1407 HA VAL A 101 8.524 8.180 -1.118 1.00 0.00 H ATOM 1408 HB VAL A 101 8.068 5.956 -0.982 1.00 0.00 H ATOM 1409 HG11 VAL A 101 8.774 6.822 -3.119 1.00 0.00 H ATOM 1410 HG12 VAL A 101 10.478 6.486 -2.726 1.00 0.00 H ATOM 1411 HG13 VAL A 101 9.327 5.141 -2.924 1.00 0.00 H ATOM 1412 HG21 VAL A 101 10.976 5.489 -0.309 1.00 0.00 H ATOM 1413 HG22 VAL A 101 9.572 5.220 0.753 1.00 0.00 H ATOM 1414 HG23 VAL A 101 9.785 4.226 -0.709 1.00 0.00 H ATOM 1415 H VAL A 101 11.299 8.125 -0.040 1.00 0.00 H ATOM 1416 N GLU A 102 7.773 7.675 1.422 1.00 13.14 N ATOM 1417 CA GLU A 102 7.564 7.721 2.861 1.00 17.68 C ATOM 1418 C GLU A 102 7.748 6.361 3.489 1.00 20.27 C ATOM 1419 O GLU A 102 7.473 5.345 2.865 1.00 22.14 O ATOM 1420 CB GLU A 102 6.128 8.178 3.205 1.00 19.34 C ATOM 1421 CG GLU A 102 5.816 9.616 2.764 1.00 40.57 C ATOM 1422 CD GLU A 102 4.457 10.099 3.190 1.00 42.30 C ATOM 1423 OE1 GLU A 102 4.228 10.611 4.275 1.00 40.83 O ATOM 1424 OE2 GLU A 102 3.562 9.924 2.255 1.00 34.10 O ATOM 1425 HA GLU A 102 8.299 8.426 3.249 1.00 0.00 H ATOM 1426 HB2 GLU A 102 5.425 7.506 2.712 1.00 0.00 H ATOM 1427 HB3 GLU A 102 5.995 8.112 4.285 1.00 0.00 H ATOM 1428 HG2 GLU A 102 6.567 10.279 3.194 1.00 0.00 H ATOM 1429 HG3 GLU A 102 5.872 9.662 1.676 1.00 0.00 H ATOM 1430 H GLU A 102 6.971 7.623 0.762 1.00 0.00 H ATOM 1431 N CYS A 103 8.181 6.335 4.736 1.00 15.29 N ATOM 1432 CA CYS A 103 8.305 5.071 5.414 1.00 15.51 C ATOM 1433 C CYS A 103 6.919 4.719 5.901 1.00 33.50 C ATOM 1434 O CYS A 103 6.207 5.602 6.374 1.00 35.21 O ATOM 1435 CB CYS A 103 9.332 5.130 6.532 1.00 15.37 C ATOM 1436 SG CYS A 103 10.964 5.353 5.814 1.00 15.10 S ATOM 1437 HA CYS A 103 8.677 4.294 4.746 1.00 0.00 H ATOM 1438 HB2 CYS A 103 9.307 4.201 7.102 1.00 0.00 H ATOM 1439 HB3 CYS A 103 9.106 5.966 7.193 1.00 0.00 H ATOM 1440 H CYS A 103 8.430 7.219 5.224 1.00 0.00 H ATOM 1441 N THR A 104 6.551 3.449 5.753 1.00 26.10 N ATOM 1442 CA THR A 104 5.233 2.929 6.113 1.00 28.84 C ATOM 1443 C THR A 104 5.066 2.425 7.535 1.00 27.28 C ATOM 1444 O THR A 104 3.907 2.287 7.982 1.00 35.19 O ATOM 1445 CB THR A 104 4.819 1.824 5.133 1.00 45.47 C ATOM 1446 OG1 THR A 104 5.936 1.008 4.829 1.00 46.30 O ATOM 1447 CG2 THR A 104 4.307 2.481 3.863 1.00 60.00 C ATOM 1448 HA THR A 104 4.581 3.800 6.048 1.00 0.00 H ATOM 1449 OXT THR A 104 6.075 2.160 8.191 1.00 21.84 O ATOM 1450 HB THR A 104 4.041 1.202 5.577 1.00 0.00 H ATOM 1451 HG1 THR A 104 5.662 0.297 4.196 1.00 0.00 H ATOM 1452 HG23 THR A 104 3.448 3.108 4.101 1.00 0.00 H ATOM 1453 HG21 THR A 104 5.097 3.094 3.429 1.00 0.00 H ATOM 1454 HG22 THR A 104 4.010 1.711 3.151 1.00 0.00 H ATOM 1455 H THR A 104 7.245 2.784 5.356 1.00 0.00 H TER 1456 THR A 104 HETATM 1457 CA CA A 1 15.613 0.254 17.118 1.00 21.33 CA HETATM 1458 O HOH 2 10.579 -0.313 -1.886 1.00 20.67 O HETATM 1459 O HOH 3 7.649 -1.172 -5.338 1.00 18.75 O HETATM 1460 O HOH 4 17.875 4.619 18.441 1.00 26.74 O HETATM 1461 O HOH 5 7.223 -0.585 -1.526 1.00 26.42 O HETATM 1462 O HOH 6 16.365 -0.875 3.175 1.00 31.33 O HETATM 1463 O HOH 7 19.715 2.667 4.966 1.00 33.89 O HETATM 1464 O HOH 8 16.235 1.838 3.927 1.00 23.54 O HETATM 1465 O HOH 9 22.357 23.409 11.718 1.00 15.30 O HETATM 1466 O HOH 10 19.696 7.024 14.471 1.00 11.51 O HETATM 1467 O HOH 11 19.947 5.556 7.177 1.00 12.32 O HETATM 1468 O HOH 12 11.519 23.455 3.851 1.00 21.87 O HETATM 1469 O HOH 13 20.402 9.519 14.027 1.00 17.20 O HETATM 1470 O HOH 14 28.718 26.362 12.641 1.00 15.95 O HETATM 1471 O HOH 15 17.601 6.415 16.380 1.00 16.33 O HETATM 1472 O HOH 16 20.105 22.775 10.448 1.00 22.93 O HETATM 1473 O HOH 17 10.069 1.051 -5.102 1.00 18.55 O HETATM 1474 O HOH 18 17.440 3.803 14.693 1.00 17.92 O HETATM 1475 O HOH 19 11.074 1.722 0.100 1.00 17.92 O HETATM 1476 O HOH 20 6.062 11.393 -5.662 1.00 23.60 O HETATM 1477 O HOH 21 26.178 25.009 10.241 1.00 20.56 O HETATM 1478 O HOH 22 3.837 12.115 -3.681 1.00 29.97 O HETATM 1479 O HOH 23 27.398 7.779 11.829 1.00 30.28 O HETATM 1480 O HOH 24 9.102 2.740 20.963 1.00 25.33 O HETATM 1481 O HOH 25 5.443 7.483 -0.154 1.00 31.31 O HETATM 1482 O HOH 26 2.578 10.385 -5.174 1.00 23.08 O HETATM 1483 O HOH 27 14.963 3.022 20.671 1.00 27.50 O HETATM 1484 O HOH 28 3.191 15.374 9.381 1.00 31.81 O HETATM 1485 O HOH 29 6.237 9.142 7.774 1.00 30.56 O HETATM 1486 O HOH 30 8.106 -0.540 17.228 1.00 28.58 O HETATM 1487 O HOH 31 22.794 22.830 7.150 1.00 26.39 O HETATM 1488 O HOH 32 8.954 15.884 -1.079 1.00 30.52 O HETATM 1489 O HOH 33 29.317 19.317 8.336 1.00 24.75 O HETATM 1490 O HOH 34 5.707 -0.166 9.931 1.00 24.31 O HETATM 1491 O HOH 35 5.935 18.538 -7.741 1.00 26.31 O HETATM 1492 O HOH 36 8.097 17.956 -9.236 1.00 32.55 O HETATM 1493 O HOH 37 20.503 26.288 12.359 1.00 31.43 O HETATM 1494 O HOH 38 8.924 2.088 -2.344 1.00 30.08 O HETATM 1495 O HOH 39 18.621 7.817 -4.109 1.00 35.62 O HETATM 1496 O HOH 40 14.780 18.387 -0.640 1.00 36.18 O HETATM 1497 O HOH 41 11.555 14.793 -1.734 1.00 41.12 O HETATM 1498 O HOH 42 6.191 -5.304 11.330 1.00 42.70 O HETATM 1499 O HOH 43 25.838 -0.587 15.907 1.00 32.80 O HETATM 1500 O HOH 44 6.975 1.934 20.174 1.00 38.35 O HETATM 1501 O HOH 45 31.130 19.424 11.435 1.00 39.48 O HETATM 1502 O HOH 46 16.757 18.334 21.326 1.00 30.54 O HETATM 1503 O HOH 47 9.150 12.494 17.658 1.00 35.64 O HETATM 1504 O HOH 48 16.778 5.190 21.091 1.00 42.82 O HETATM 1505 O HOH 49 4.213 11.707 7.630 1.00 42.00 O HETATM 1506 O HOH 50 14.526 22.413 22.356 1.00 36.50 O HETATM 1507 O HOH 51 21.216 5.204 20.515 1.00 46.15 O HETATM 1508 O HOH 52 23.484 4.783 0.554 1.00 47.87 O HETATM 1509 O HOH 53 20.229 23.457 4.561 1.00 38.98 O HETATM 1510 O HOH 54 19.915 24.773 22.735 1.00 52.08 O HETATM 1511 O HOH 55 18.529 1.699 -0.173 1.00 34.97 O HETATM 1512 O HOH 56 16.548 -1.029 12.491 1.00 44.66 O HETATM 1513 O HOH 57 24.998 5.922 2.197 1.00 39.00 O HETATM 1514 O HOH 58 8.854 -1.642 2.684 1.00 41.65 O HETATM 1515 O HOH 59 6.338 15.477 17.266 1.00 42.86 O HETATM 1516 O HOH 60 25.728 2.189 13.168 1.00 51.10 O HETATM 1517 O HOH 61 18.945 3.906 -1.504 1.00 34.56 O HETATM 1518 O HOH 62 6.729 1.222 -4.025 1.00 59.22 O HETATM 1519 O HOH 63 15.839 -3.031 11.186 1.00 35.84 O HETATM 1520 O HOH 64 27.813 25.809 18.435 1.00 47.82 O HETATM 1521 O HOH 65 27.511 5.691 10.188 1.00 39.59 O HETATM 1522 O HOH 66 25.888 10.475 1.596 1.00 44.34 O HETATM 1523 O HOH 67 9.876 -5.211 4.945 1.00 54.01 O HETATM 1524 O HOH 68 9.125 1.741 2.629 1.00 50.33 O HETATM 1525 O HOH 69 3.929 15.939 14.540 1.00 50.73 O HETATM 1526 O HOH 70 14.522 17.522 21.687 1.00 42.33 O HETATM 1527 O HOH 71 24.155 6.465 19.413 1.00 50.93 O HETATM 1528 O HOH 72 7.163 -3.925 9.103 1.00 49.90 O HETATM 1529 O HOH 73 15.579 15.467 -2.274 1.00 45.39 O HETATM 1530 O HOH 74 18.886 2.559 20.392 1.00 46.49 O HETATM 1531 O HOH 75 17.998 14.286 -1.832 1.00 50.03 O HETATM 1532 O HOH 76 29.538 20.360 6.329 1.00 53.98 O HETATM 1533 O HOH 77 13.287 7.061 23.959 1.00 57.79 O HETATM 1534 O HOH 78 28.662 22.888 18.160 1.00 56.56 O HETATM 1535 O HOH 79 6.344 8.484 16.206 1.00 52.62 O HETATM 1536 O HOH 80 23.542 25.074 9.857 1.00 49.22 O HETATM 1537 O HOH 81 17.284 20.776 22.326 1.00 56.62 O HETATM 1538 O HOH 82 2.329 23.169 12.676 1.00 60.00 O HETATM 1539 P UNN A 83 19.973 13.723 1.221 1.00 0.20 P HETATM 1540 O1P UNN A 83 21.039 14.419 2.032 1.00 -0.55 O HETATM 1541 O2P UNN A 83 19.739 12.315 1.669 1.00 -0.55 O HETATM 1542 O3P UNN A 83 18.711 14.516 1.068 1.00 -0.55 O HETATM 1543 O2 UNN A 83 20.527 13.559 -0.244 1.00 -0.26 O HETATM 1544 C2 UNN A 83 21.751 12.917 -0.487 1.00 0.17 C HETATM 1545 C3 UNN A 83 22.906 13.917 -0.669 1.00 0.12 C HETATM 1546 C4 UNN A 83 23.859 13.147 -1.577 1.00 0.11 C HETATM 1547 C5 UNN A 83 24.908 12.289 -0.855 1.00 0.07 C HETATM 1548 O5 UNN A 83 25.981 11.831 -1.738 1.00 -0.39 O HETATM 1549 H1 UNN A 83 26.598 11.307 -1.240 1.00 0.21 H HETATM 1550 H2 UNN A 83 25.352 12.887 -0.045 1.00 0.06 H HETATM 1551 H3 UNN A 83 24.406 11.408 -0.428 1.00 0.06 H HETATM 1552 O4 UNN A 83 22.995 12.299 -2.379 1.00 -0.34 O HETATM 1553 C1 UNN A 83 21.675 12.328 -1.891 1.00 0.20 C HETATM 1554 N9 UNN A 83 21.166 10.969 -1.976 1.00 -0.21 N HETATM 1555 C8 UNN A 83 20.225 10.482 -2.869 1.00 0.10 C HETATM 1556 N7 UNN A 83 20.005 9.196 -2.714 1.00 -0.32 N HETATM 1557 C5 UNN A 83 20.866 8.811 -1.667 1.00 0.09 C HETATM 1558 C6 UNN A 83 21.077 7.540 -1.048 1.00 0.21 C HETATM 1559 O6 UNN A 83 20.525 6.459 -1.298 1.00 -0.41 O HETATM 1560 N1 UNN A 83 22.042 7.597 -0.032 1.00 -0.18 N HETATM 1561 C2 UNN A 83 22.715 8.736 0.341 1.00 0.23 C HETATM 1562 N2 UNN A 83 23.611 8.601 1.326 1.00 -0.28 N HETATM 1563 H11 UNN A 83 24.147 9.418 1.650 1.00 0.19 H HETATM 1564 H12 UNN A 83 23.764 7.680 1.760 1.00 0.19 H HETATM 1565 N3 UNN A 83 22.530 9.926 -0.218 1.00 -0.28 N HETATM 1566 C4 UNN A 83 21.589 9.894 -1.205 1.00 0.12 C HETATM 1567 H10 UNN A 83 22.255 6.750 0.455 1.00 0.25 H HETATM 1568 H9 UNN A 83 19.724 11.096 -3.616 1.00 0.12 H HETATM 1569 H8 UNN A 83 21.046 12.980 -2.515 1.00 0.10 H HETATM 1570 H4 UNN A 83 24.392 13.861 -2.222 1.00 0.06 H HETATM 1571 O3 UNN A 83 22.515 15.131 -1.326 1.00 -0.39 O HETATM 1572 H6 UNN A 83 21.921 15.616 -0.765 1.00 0.21 H HETATM 1573 H5 UNN A 83 23.370 14.157 0.299 1.00 0.07 H HETATM 1574 H7 UNN A 83 21.965 12.169 0.290 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 1436 CONECT 117 18 116 CONECT 182 181 1457 CONECT 183 181 1457 CONECT 1436 75 1435 CONECT 1457 182 183 CONECT 1539 1540 1541 1542 1543 CONECT 1540 1539 CONECT 1541 1539 CONECT 1542 1539 CONECT 1543 1539 1544 CONECT 1544 1543 1545 1553 1574 CONECT 1545 1544 1546 1571 1573 CONECT 1546 1545 1547 1552 1570 CONECT 1547 1546 1548 1550 1551 CONECT 1548 1547 1549 CONECT 1549 1548 CONECT 1550 1547 CONECT 1551 1547 CONECT 1552 1546 1553 CONECT 1553 1544 1552 1554 1569 CONECT 1554 1553 1555 1566 CONECT 1555 1554 1556 1568 CONECT 1556 1555 1557 CONECT 1557 1556 1558 1566 CONECT 1558 1557 1559 1560 CONECT 1559 1558 CONECT 1560 1558 1561 1567 CONECT 1561 1560 1562 1565 CONECT 1562 1561 1563 1564 CONECT 1563 1562 CONECT 1564 1562 CONECT 1565 1561 1566 CONECT 1566 1554 1557 1565 CONECT 1567 1560 CONECT 1568 1555 CONECT 1569 1553 CONECT 1570 1546 CONECT 1571 1545 1572 CONECT 1572 1571 CONECT 1573 1545 CONECT 1574 1544 MASTER 0 0 0 0 0 0 0 0 1573 1 47 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1rgl
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%
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
1det
RCSB PDB
PDBbind
2GP
1rnt
RCSB PDB
PDBbind
2GP
Entry Information
PDB ID
1rgl
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ribonuclease T1
Ligand Name
2GP
EC.Number
E.C.3.1.27.3
Resolution
2(Å)
Affinity (Kd/Ki/IC50)
Kd=37uM
Release Year
1993
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol. v225 pp. 533-42, 1992
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
This site has been visited
times since Nov 2007.
Copyright ©2007-2024 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com