Browse entries in the PDBbind-CN Database
HEADER 1KPM_COMPLEX COMPND 1KPM_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 121 SER LEU LEU GLU PHE GLY LYS MET ILE LEU GLU GLU THR SEQRES 2 A 121 GLY LYS LEU ALA ILE PRO SER TYR SER SER TYR GLY CYS SEQRES 3 A 121 TYR CYS GLY TRP GLY GLY LYS GLY THR PRO LYS ASP ALA SEQRES 4 A 121 THR ASP ARG CYS CYS PHE VAL HIS ASP CYS CYS TYR GLY SEQRES 5 A 121 ASN LEU PRO ASP CYS ASN PRO LYS SER ASP ARG TYR LYS SEQRES 6 A 121 TYR LYS ARG VAL ASN GLY ALA ILE VAL CYS GLU LYS GLY SEQRES 7 A 121 THR SER CYS GLU ASN ARG ILE CYS GLU CYS ASP LYS ALA SEQRES 8 A 121 ALA ALA ILE CYS PHE ARG GLN ASN LEU ASN THR TYR SER SEQRES 9 A 121 LYS LYS TYR MET LEU TYR PRO ASP PHE LEU CYS LYS GLY SEQRES 10 A 121 GLU LEU LYS CYS HET VIT A 265 77 SSBOND 1 CYS A 29 CYS A 45 SSBOND 2 CYS A 61 CYS A 91 SSBOND 3 CYS A 84 CYS A 96 SSBOND 4 CYS A 51 CYS A 98 SSBOND 5 CYS A 44 CYS A 105 SSBOND 6 CYS A 27 CYS A 126 SSBOND 7 CYS A 50 CYS A 133 ATOM 1 N SER A 1 16.811 12.242 42.460 1.00 26.31 N ATOM 2 CA SER A 1 17.174 13.415 41.616 1.00 26.97 C ATOM 3 C SER A 1 16.043 14.432 41.603 1.00 26.80 C ATOM 4 O SER A 1 14.987 14.213 42.199 1.00 26.85 O ATOM 5 CB SER A 1 17.462 12.972 40.176 1.00 28.29 C ATOM 6 OG SER A 1 16.267 12.580 39.515 1.00 28.73 O ATOM 7 HA SER A 1 18.068 13.871 42.042 1.00 0.00 H ATOM 8 HB2 SER A 1 18.153 12.129 40.194 1.00 0.00 H ATOM 9 HB3 SER A 1 17.915 13.801 39.632 1.00 0.00 H ATOM 10 HG SER A 1 15.854 11.825 40.003 1.00 0.00 H ATOM 11 HN3 SER A 1 15.955 11.792 42.076 1.00 0.00 H ATOM 12 HN2 SER A 1 16.630 12.560 43.434 1.00 0.00 H ATOM 13 HN1 SER A 1 17.595 11.558 42.457 1.00 0.00 H ATOM 14 N LEU A 2 16.277 15.545 40.916 1.00 27.06 N ATOM 15 CA LEU A 2 15.289 16.608 40.803 1.00 27.68 C ATOM 16 C LEU A 2 13.967 16.042 40.297 1.00 27.19 C ATOM 17 O LEU A 2 12.896 16.550 40.623 1.00 25.75 O ATOM 18 CB LEU A 2 15.802 17.690 39.846 1.00 29.75 C ATOM 19 CG LEU A 2 16.557 18.970 40.238 1.00 31.38 C ATOM 20 CD1 LEU A 2 17.113 18.865 41.649 1.00 33.31 C ATOM 21 CD2 LEU A 2 17.674 19.212 39.238 1.00 32.95 C ATOM 22 HA LEU A 2 15.125 17.051 41.786 1.00 0.00 H ATOM 23 HB2 LEU A 2 16.466 17.168 39.157 1.00 0.00 H ATOM 24 HB3 LEU A 2 14.919 18.035 39.307 1.00 0.00 H ATOM 25 HG LEU A 2 15.865 19.812 40.221 1.00 0.00 H ATOM 26 HD21 LEU A 2 18.358 18.364 39.247 1.00 0.00 H ATOM 27 HD22 LEU A 2 17.249 19.326 38.241 1.00 0.00 H ATOM 28 HD23 LEU A 2 18.214 20.119 39.511 1.00 0.00 H ATOM 29 HD11 LEU A 2 16.293 18.714 42.351 1.00 0.00 H ATOM 30 HD12 LEU A 2 17.801 18.022 41.705 1.00 0.00 H ATOM 31 HD13 LEU A 2 17.642 19.785 41.899 1.00 0.00 H ATOM 32 H LEU A 2 17.196 15.660 40.443 1.00 0.00 H ATOM 33 N LEU A 3 14.055 14.976 39.507 1.00 26.94 N ATOM 34 CA LEU A 3 12.872 14.330 38.951 1.00 26.75 C ATOM 35 C LEU A 3 11.964 13.762 40.041 1.00 26.03 C ATOM 36 O LEU A 3 10.769 14.059 40.078 1.00 24.09 O ATOM 37 CB LEU A 3 13.293 13.216 37.987 1.00 28.04 C ATOM 38 CG LEU A 3 12.193 12.284 37.467 1.00 28.62 C ATOM 39 CD1 LEU A 3 11.052 13.087 36.863 1.00 30.84 C ATOM 40 CD2 LEU A 3 12.788 11.342 36.434 1.00 30.68 C ATOM 41 HA LEU A 3 12.303 15.088 38.413 1.00 0.00 H ATOM 42 HB2 LEU A 3 13.758 13.689 37.122 1.00 0.00 H ATOM 43 HB3 LEU A 3 14.030 12.599 38.501 1.00 0.00 H ATOM 44 HG LEU A 3 11.790 11.704 38.297 1.00 0.00 H ATOM 45 HD21 LEU A 3 13.198 11.923 35.608 1.00 0.00 H ATOM 46 HD22 LEU A 3 13.581 10.753 36.895 1.00 0.00 H ATOM 47 HD23 LEU A 3 12.010 10.676 36.060 1.00 0.00 H ATOM 48 HD11 LEU A 3 10.629 13.743 37.623 1.00 0.00 H ATOM 49 HD12 LEU A 3 11.430 13.685 36.034 1.00 0.00 H ATOM 50 HD13 LEU A 3 10.282 12.406 36.500 1.00 0.00 H ATOM 51 H LEU A 3 14.994 14.592 39.279 1.00 0.00 H ATOM 52 N GLU A 4 12.528 12.943 40.923 1.00 24.66 N ATOM 53 CA GLU A 4 11.753 12.345 42.004 1.00 24.68 C ATOM 54 C GLU A 4 11.285 13.394 43.003 1.00 23.83 C ATOM 55 O GLU A 4 10.147 13.363 43.462 1.00 23.63 O ATOM 56 CB GLU A 4 12.578 11.295 42.753 1.00 26.48 C ATOM 57 CG GLU A 4 12.934 10.045 41.961 1.00 28.78 C ATOM 58 CD GLU A 4 13.994 10.291 40.905 1.00 30.74 C ATOM 59 OE1 GLU A 4 14.864 11.156 41.117 1.00 30.42 O ATOM 60 OE2 GLU A 4 13.966 9.603 39.865 1.00 33.27 O ATOM 61 HA GLU A 4 10.884 11.874 41.544 1.00 0.00 H ATOM 62 HB2 GLU A 4 13.508 11.765 43.072 1.00 0.00 H ATOM 63 HB3 GLU A 4 12.009 10.985 43.630 1.00 0.00 H ATOM 64 HG2 GLU A 4 13.303 9.289 42.654 1.00 0.00 H ATOM 65 HG3 GLU A 4 12.033 9.677 41.470 1.00 0.00 H ATOM 66 H GLU A 4 13.541 12.724 40.841 1.00 0.00 H ATOM 67 N PHE A 5 12.179 14.315 43.345 1.00 22.76 N ATOM 68 CA PHE A 5 11.851 15.368 44.301 1.00 21.97 C ATOM 69 C PHE A 5 10.706 16.219 43.758 1.00 21.99 C ATOM 70 O PHE A 5 9.743 16.527 44.469 1.00 21.30 O ATOM 71 CB PHE A 5 13.096 16.223 44.562 1.00 21.16 C ATOM 72 CG PHE A 5 12.921 17.252 45.645 1.00 20.20 C ATOM 73 CD1 PHE A 5 12.073 17.018 46.721 1.00 21.21 C ATOM 74 CD2 PHE A 5 13.639 18.444 45.605 1.00 21.26 C ATOM 75 CE1 PHE A 5 11.943 17.953 47.741 1.00 20.82 C ATOM 76 CE2 PHE A 5 13.516 19.388 46.623 1.00 21.10 C ATOM 77 CZ PHE A 5 12.666 19.140 47.692 1.00 21.99 C ATOM 78 HA PHE A 5 11.529 14.926 45.244 1.00 0.00 H ATOM 79 HB2 PHE A 5 13.912 15.560 44.849 1.00 0.00 H ATOM 80 HB3 PHE A 5 13.356 16.739 43.638 1.00 0.00 H ATOM 81 HD2 PHE A 5 14.306 18.642 44.766 1.00 0.00 H ATOM 82 HE2 PHE A 5 14.085 20.317 46.580 1.00 0.00 H ATOM 83 HZ PHE A 5 12.565 19.874 48.491 1.00 0.00 H ATOM 84 HE1 PHE A 5 11.275 17.756 48.579 1.00 0.00 H ATOM 85 HD1 PHE A 5 11.503 16.090 46.765 1.00 0.00 H ATOM 86 H PHE A 5 13.130 14.285 42.924 1.00 0.00 H ATOM 87 N GLY A 6 10.801 16.580 42.484 1.00 21.48 N ATOM 88 CA GLY A 6 9.758 17.387 41.885 1.00 22.39 C ATOM 89 C GLY A 6 8.416 16.688 41.902 1.00 22.08 C ATOM 90 O GLY A 6 7.384 17.325 42.094 1.00 22.25 O ATOM 91 HA3 GLY A 6 10.029 17.602 40.851 1.00 0.00 H ATOM 92 HA2 GLY A 6 9.675 18.322 42.439 1.00 0.00 H ATOM 93 H GLY A 6 11.622 16.284 41.918 1.00 0.00 H ATOM 94 N LYS A 7 8.426 15.373 41.706 1.00 23.52 N ATOM 95 CA LYS A 7 7.186 14.603 41.709 1.00 23.62 C ATOM 96 C LYS A 7 6.540 14.638 43.096 1.00 23.45 C ATOM 97 O LYS A 7 5.327 14.813 43.214 1.00 22.71 O ATOM 98 CB LYS A 7 7.466 13.158 41.279 1.00 25.58 C ATOM 99 CG LYS A 7 6.230 12.276 41.155 1.00 28.20 C ATOM 100 CD LYS A 7 6.604 10.905 40.601 1.00 31.15 C ATOM 101 CE LYS A 7 5.401 9.979 40.516 1.00 33.11 C ATOM 102 NZ LYS A 7 4.906 9.593 41.865 1.00 35.51 N ATOM 103 HA LYS A 7 6.491 15.050 40.998 1.00 0.00 H ATOM 104 HB2 LYS A 7 7.963 13.183 40.309 1.00 0.00 H ATOM 105 HB3 LYS A 7 8.131 12.708 42.016 1.00 0.00 H ATOM 106 HG2 LYS A 7 5.776 12.154 42.138 1.00 0.00 H ATOM 107 HG3 LYS A 7 5.516 12.752 40.483 1.00 0.00 H ATOM 108 HD2 LYS A 7 7.023 11.031 39.603 1.00 0.00 H ATOM 109 HD3 LYS A 7 7.351 10.453 41.253 1.00 0.00 H ATOM 110 HE2 LYS A 7 5.686 9.078 39.973 1.00 0.00 H ATOM 111 HE3 LYS A 7 4.601 10.488 39.978 1.00 0.00 H ATOM 112 HZ1 LYS A 7 5.662 9.101 42.383 1.00 0.00 H ATOM 113 HZ2 LYS A 7 4.625 10.447 42.388 1.00 0.00 H ATOM 114 HZ3 LYS A 7 4.086 8.962 41.764 1.00 0.00 H ATOM 115 H LYS A 7 9.331 14.886 41.548 1.00 0.00 H ATOM 116 N MET A 8 7.351 14.473 44.143 1.00 23.53 N ATOM 117 CA MET A 8 6.853 14.505 45.520 1.00 22.83 C ATOM 118 C MET A 8 6.232 15.855 45.827 1.00 22.19 C ATOM 119 O MET A 8 5.185 15.946 46.465 1.00 21.22 O ATOM 120 CB MET A 8 7.987 14.288 46.524 1.00 23.27 C ATOM 121 CG MET A 8 8.583 12.902 46.566 1.00 22.75 C ATOM 122 SD MET A 8 9.772 12.824 47.929 1.00 23.39 S ATOM 123 CE MET A 8 10.426 11.187 47.701 1.00 23.13 C ATOM 124 HA MET A 8 6.115 13.708 45.610 1.00 0.00 H ATOM 125 HB2 MET A 8 8.787 14.987 46.279 1.00 0.00 H ATOM 126 HB3 MET A 8 7.600 14.514 47.518 1.00 0.00 H ATOM 127 HG2 MET A 8 9.090 12.691 45.624 1.00 0.00 H ATOM 128 HG3 MET A 8 7.794 12.167 46.725 1.00 0.00 H ATOM 129 HE1 MET A 8 9.618 10.460 47.782 1.00 0.00 H ATOM 130 HE2 MET A 8 10.884 11.114 46.715 1.00 0.00 H ATOM 131 HE3 MET A 8 11.175 10.986 48.467 1.00 0.00 H ATOM 132 H MET A 8 8.366 14.317 43.976 1.00 0.00 H ATOM 133 N ILE A 9 6.911 16.907 45.389 1.00 21.69 N ATOM 134 CA ILE A 9 6.453 18.268 45.617 1.00 21.67 C ATOM 135 C ILE A 9 5.099 18.513 44.965 1.00 21.83 C ATOM 136 O ILE A 9 4.221 19.131 45.562 1.00 22.02 O ATOM 137 CB ILE A 9 7.473 19.281 45.069 1.00 21.16 C ATOM 138 CG1 ILE A 9 8.786 19.155 45.852 1.00 21.36 C ATOM 139 CG2 ILE A 9 6.913 20.697 45.158 1.00 19.59 C ATOM 140 CD1 ILE A 9 9.905 20.017 45.320 1.00 21.14 C ATOM 141 HA ILE A 9 6.351 18.402 46.694 1.00 0.00 H ATOM 142 HB ILE A 9 7.671 19.068 44.019 1.00 0.00 H ATOM 143 HG12 ILE A 9 8.597 19.440 46.887 1.00 0.00 H ATOM 144 HG13 ILE A 9 9.108 18.114 45.816 1.00 0.00 H ATOM 145 HD11 ILE A 9 10.118 19.738 44.288 1.00 0.00 H ATOM 146 HD12 ILE A 9 9.606 21.064 45.360 1.00 0.00 H ATOM 147 HD13 ILE A 9 10.797 19.869 45.929 1.00 0.00 H ATOM 148 HG21 ILE A 9 5.996 20.761 44.572 1.00 0.00 H ATOM 149 HG22 ILE A 9 6.697 20.936 46.199 1.00 0.00 H ATOM 150 HG23 ILE A 9 7.647 21.402 44.766 1.00 0.00 H ATOM 151 H ILE A 9 7.797 16.754 44.867 1.00 0.00 H ATOM 152 N LEU A 10 4.927 18.032 43.740 1.00 22.49 N ATOM 153 CA LEU A 10 3.655 18.220 43.051 1.00 22.98 C ATOM 154 C LEU A 10 2.559 17.440 43.769 1.00 23.75 C ATOM 155 O LEU A 10 1.461 17.951 43.989 1.00 23.63 O ATOM 156 CB LEU A 10 3.765 17.761 41.592 1.00 22.98 C ATOM 157 CG LEU A 10 2.490 17.776 40.739 1.00 23.46 C ATOM 158 CD1 LEU A 10 1.840 19.146 40.777 1.00 24.58 C ATOM 159 CD2 LEU A 10 2.846 17.393 39.307 1.00 23.37 C ATOM 160 HA LEU A 10 3.401 19.280 43.060 1.00 0.00 H ATOM 161 HB2 LEU A 10 4.492 18.408 41.101 1.00 0.00 H ATOM 162 HB3 LEU A 10 4.139 16.737 41.600 1.00 0.00 H ATOM 163 HG LEU A 10 1.777 17.056 41.141 1.00 0.00 H ATOM 164 HD21 LEU A 10 3.564 18.110 38.908 1.00 0.00 H ATOM 165 HD22 LEU A 10 3.284 16.395 39.297 1.00 0.00 H ATOM 166 HD23 LEU A 10 1.944 17.402 38.695 1.00 0.00 H ATOM 167 HD11 LEU A 10 1.581 19.395 41.806 1.00 0.00 H ATOM 168 HD12 LEU A 10 2.536 19.888 40.386 1.00 0.00 H ATOM 169 HD13 LEU A 10 0.937 19.136 40.166 1.00 0.00 H ATOM 170 H LEU A 10 5.701 17.520 43.270 1.00 0.00 H ATOM 171 N GLU A 11 2.873 16.205 44.149 1.00 24.23 N ATOM 172 CA GLU A 11 1.919 15.343 44.840 1.00 25.13 C ATOM 173 C GLU A 11 1.502 15.891 46.203 1.00 25.23 C ATOM 174 O GLU A 11 0.340 15.782 46.591 1.00 24.89 O ATOM 175 CB GLU A 11 2.509 13.940 45.025 1.00 25.72 C ATOM 176 CG GLU A 11 2.939 13.268 43.730 1.00 27.73 C ATOM 177 CD GLU A 11 3.494 11.870 43.940 1.00 29.22 C ATOM 178 OE1 GLU A 11 4.229 11.649 44.928 1.00 28.39 O ATOM 179 OE2 GLU A 11 3.208 10.991 43.100 1.00 30.77 O ATOM 180 HA GLU A 11 1.029 15.303 44.212 1.00 0.00 H ATOM 181 HB2 GLU A 11 3.380 14.018 45.675 1.00 0.00 H ATOM 182 HB3 GLU A 11 1.756 13.313 45.502 1.00 0.00 H ATOM 183 HG2 GLU A 11 2.075 13.203 43.069 1.00 0.00 H ATOM 184 HG3 GLU A 11 3.709 13.880 43.260 1.00 0.00 H ATOM 185 H GLU A 11 3.827 15.842 43.948 1.00 0.00 H ATOM 186 N GLU A 12 2.446 16.485 46.925 1.00 24.68 N ATOM 187 CA GLU A 12 2.154 17.019 48.255 1.00 23.73 C ATOM 188 C GLU A 12 1.592 18.439 48.278 1.00 24.58 C ATOM 189 O GLU A 12 0.737 18.754 49.108 1.00 24.04 O ATOM 190 CB GLU A 12 3.413 16.995 49.130 1.00 24.91 C ATOM 191 CG GLU A 12 4.000 15.617 49.394 1.00 23.80 C ATOM 192 CD GLU A 12 3.033 14.693 50.104 1.00 25.37 C ATOM 193 OE1 GLU A 12 2.351 15.156 51.042 1.00 24.28 O ATOM 194 OE2 GLU A 12 2.968 13.502 49.730 1.00 26.05 O ATOM 195 HA GLU A 12 1.374 16.363 48.642 1.00 0.00 H ATOM 196 HB2 GLU A 12 4.176 17.597 48.637 1.00 0.00 H ATOM 197 HB3 GLU A 12 3.163 17.444 50.091 1.00 0.00 H ATOM 198 HG2 GLU A 12 4.275 15.167 48.440 1.00 0.00 H ATOM 199 HG3 GLU A 12 4.891 15.730 50.012 1.00 0.00 H ATOM 200 H GLU A 12 3.408 16.572 46.538 1.00 0.00 H ATOM 201 N THR A 13 2.070 19.295 47.379 1.00 23.50 N ATOM 202 CA THR A 13 1.616 20.683 47.370 1.00 23.62 C ATOM 203 C THR A 13 0.618 21.036 46.281 1.00 23.92 C ATOM 204 O THR A 13 -0.107 22.026 46.402 1.00 24.10 O ATOM 205 CB THR A 13 2.808 21.656 47.236 1.00 22.17 C ATOM 206 OG1 THR A 13 3.309 21.616 45.895 1.00 22.35 O ATOM 207 CG2 THR A 13 3.925 21.264 48.198 1.00 21.70 C ATOM 208 HA THR A 13 1.105 20.789 48.327 1.00 0.00 H ATOM 209 HB THR A 13 2.467 22.663 47.477 1.00 0.00 H ATOM 210 HG1 THR A 13 3.608 20.696 45.683 1.00 0.00 H ATOM 211 HG23 THR A 13 3.549 21.293 49.221 1.00 0.00 H ATOM 212 HG21 THR A 13 4.267 20.256 47.964 1.00 0.00 H ATOM 213 HG22 THR A 13 4.754 21.964 48.095 1.00 0.00 H ATOM 214 H THR A 13 2.770 18.975 46.680 1.00 0.00 H ATOM 215 N GLY A 14 0.583 20.238 45.219 1.00 24.57 N ATOM 216 CA GLY A 14 -0.320 20.527 44.120 1.00 25.60 C ATOM 217 C GLY A 14 0.315 21.553 43.201 1.00 26.17 C ATOM 218 O GLY A 14 -0.286 21.982 42.215 1.00 26.20 O ATOM 219 HA3 GLY A 14 -1.257 20.921 44.513 1.00 0.00 H ATOM 220 HA2 GLY A 14 -0.518 19.612 43.562 1.00 0.00 H ATOM 221 H GLY A 14 1.204 19.405 45.175 1.00 0.00 H ATOM 222 N LYS A 16 1.541 21.953 43.537 1.00 25.71 N ATOM 223 CA LYS A 16 2.289 22.932 42.755 1.00 26.31 C ATOM 224 C LYS A 16 3.432 22.265 42.001 1.00 26.00 C ATOM 225 O LYS A 16 4.018 21.296 42.482 1.00 25.36 O ATOM 226 CB LYS A 16 2.904 24.003 43.664 1.00 27.05 C ATOM 227 CG LYS A 16 1.934 24.920 44.378 1.00 28.93 C ATOM 228 CD LYS A 16 2.716 25.931 45.215 1.00 28.88 C ATOM 229 CE LYS A 16 1.799 26.913 45.921 1.00 30.58 C ATOM 230 NZ LYS A 16 1.034 27.743 44.951 1.00 31.33 N ATOM 231 HA LYS A 16 1.585 23.384 42.057 1.00 0.00 H ATOM 232 HB2 LYS A 16 3.498 23.493 44.423 1.00 0.00 H ATOM 233 HB3 LYS A 16 3.557 24.624 43.050 1.00 0.00 H ATOM 234 HG2 LYS A 16 1.325 25.448 43.644 1.00 0.00 H ATOM 235 HG3 LYS A 16 1.288 24.331 45.029 1.00 0.00 H ATOM 236 HD2 LYS A 16 3.299 25.393 45.963 1.00 0.00 H ATOM 237 HD3 LYS A 16 3.389 26.485 44.560 1.00 0.00 H ATOM 238 HE2 LYS A 16 2.400 27.569 46.551 1.00 0.00 H ATOM 239 HE3 LYS A 16 1.097 26.358 46.543 1.00 0.00 H ATOM 240 HZ1 LYS A 16 1.698 28.281 44.358 1.00 0.00 H ATOM 241 HZ2 LYS A 16 0.453 27.124 44.350 1.00 0.00 H ATOM 242 HZ3 LYS A 16 0.419 28.402 45.470 1.00 0.00 H ATOM 243 H LYS A 16 1.982 21.552 44.389 1.00 0.00 H ATOM 244 N LEU A 17 3.746 22.786 40.819 1.00 24.98 N ATOM 245 CA LEU A 17 4.858 22.259 40.037 1.00 24.65 C ATOM 246 C LEU A 17 6.120 22.798 40.712 1.00 24.53 C ATOM 247 O LEU A 17 6.266 24.009 40.867 1.00 23.65 O ATOM 248 CB LEU A 17 4.776 22.762 38.592 1.00 25.27 C ATOM 249 CG LEU A 17 3.622 22.225 37.738 1.00 25.77 C ATOM 250 CD1 LEU A 17 3.605 22.927 36.387 1.00 25.71 C ATOM 251 CD2 LEU A 17 3.780 20.724 37.561 1.00 25.87 C ATOM 252 HA LEU A 17 4.849 21.170 40.001 1.00 0.00 H ATOM 253 HB2 LEU A 17 4.685 23.848 38.625 1.00 0.00 H ATOM 254 HB3 LEU A 17 5.708 22.492 38.095 1.00 0.00 H ATOM 255 HG LEU A 17 2.674 22.423 38.239 1.00 0.00 H ATOM 256 HD21 LEU A 17 4.728 20.516 37.065 1.00 0.00 H ATOM 257 HD22 LEU A 17 3.766 20.241 38.538 1.00 0.00 H ATOM 258 HD23 LEU A 17 2.959 20.343 36.954 1.00 0.00 H ATOM 259 HD11 LEU A 17 3.473 23.998 36.537 1.00 0.00 H ATOM 260 HD12 LEU A 17 4.548 22.745 35.872 1.00 0.00 H ATOM 261 HD13 LEU A 17 2.782 22.539 35.788 1.00 0.00 H ATOM 262 H LEU A 17 3.190 23.582 40.446 1.00 0.00 H ATOM 263 N ALA A 18 7.013 21.901 41.125 1.00 23.78 N ATOM 264 CA ALA A 18 8.251 22.291 41.800 1.00 24.23 C ATOM 265 C ALA A 18 8.935 23.433 41.065 1.00 24.10 C ATOM 266 O ALA A 18 9.372 24.408 41.674 1.00 22.90 O ATOM 267 CB ALA A 18 9.187 21.093 41.907 1.00 23.73 C ATOM 268 HA ALA A 18 8.001 22.637 42.803 1.00 0.00 H ATOM 269 HB1 ALA A 18 8.700 20.303 42.479 1.00 0.00 H ATOM 270 HB2 ALA A 18 9.423 20.727 40.908 1.00 0.00 H ATOM 271 HB3 ALA A 18 10.105 21.395 42.411 1.00 0.00 H ATOM 272 H ALA A 18 6.825 20.891 40.963 1.00 0.00 H ATOM 273 N ILE A 19 9.049 23.286 39.750 1.00 24.04 N ATOM 274 CA ILE A 19 9.628 24.320 38.908 1.00 24.92 C ATOM 275 C ILE A 19 8.409 24.790 38.129 1.00 25.54 C ATOM 276 O ILE A 19 7.773 23.993 37.437 1.00 25.08 O ATOM 277 CB ILE A 19 10.686 23.746 37.939 1.00 24.83 C ATOM 278 CG1 ILE A 19 11.851 23.155 38.733 1.00 26.57 C ATOM 279 CG2 ILE A 19 11.206 24.845 37.017 1.00 25.55 C ATOM 280 CD1 ILE A 19 12.977 22.610 37.867 1.00 26.88 C ATOM 281 HA ILE A 19 10.145 25.097 39.471 1.00 0.00 H ATOM 282 HB ILE A 19 10.222 22.964 37.338 1.00 0.00 H ATOM 283 HG12 ILE A 19 12.259 23.935 39.375 1.00 0.00 H ATOM 284 HG13 ILE A 19 11.468 22.342 39.350 1.00 0.00 H ATOM 285 HD11 ILE A 19 12.590 21.818 37.226 1.00 0.00 H ATOM 286 HD12 ILE A 19 13.381 23.413 37.251 1.00 0.00 H ATOM 287 HD13 ILE A 19 13.764 22.209 38.506 1.00 0.00 H ATOM 288 HG21 ILE A 19 10.377 25.255 36.440 1.00 0.00 H ATOM 289 HG22 ILE A 19 11.660 25.635 37.615 1.00 0.00 H ATOM 290 HG23 ILE A 19 11.951 24.427 36.340 1.00 0.00 H ATOM 291 H ILE A 19 8.714 22.405 39.310 1.00 0.00 H ATOM 292 N PRO A 20 8.097 26.095 38.177 1.00 25.20 N ATOM 293 CA PRO A 20 8.773 27.194 38.876 1.00 24.97 C ATOM 294 C PRO A 20 8.339 27.611 40.287 1.00 24.44 C ATOM 295 O PRO A 20 8.904 28.557 40.836 1.00 23.92 O ATOM 296 CB PRO A 20 8.590 28.340 37.901 1.00 25.47 C ATOM 297 CG PRO A 20 7.149 28.138 37.492 1.00 25.55 C ATOM 298 CD PRO A 20 7.030 26.623 37.302 1.00 26.12 C ATOM 299 HA PRO A 20 9.786 26.867 39.110 1.00 0.00 H ATOM 300 HD3 PRO A 20 6.050 26.264 37.617 1.00 0.00 H ATOM 301 HD2 PRO A 20 7.201 26.343 36.262 1.00 0.00 H ATOM 302 HG3 PRO A 20 6.932 28.664 36.562 1.00 0.00 H ATOM 303 HG2 PRO A 20 6.472 28.486 38.272 1.00 0.00 H ATOM 304 HB2 PRO A 20 8.738 29.306 38.384 1.00 0.00 H ATOM 305 HB3 PRO A 20 9.265 28.254 37.049 1.00 0.00 H ATOM 306 N SER A 21 7.369 26.925 40.887 1.00 23.25 N ATOM 307 CA SER A 21 6.893 27.321 42.212 1.00 23.29 C ATOM 308 C SER A 21 7.908 27.344 43.355 1.00 23.20 C ATOM 309 O SER A 21 7.829 28.210 44.234 1.00 22.64 O ATOM 310 CB SER A 21 5.704 26.452 42.633 1.00 24.43 C ATOM 311 OG SER A 21 4.577 26.721 41.823 1.00 25.46 O ATOM 312 HA SER A 21 6.622 28.366 42.064 1.00 0.00 H ATOM 313 HB2 SER A 21 5.456 26.664 43.673 1.00 0.00 H ATOM 314 HB3 SER A 21 5.975 25.401 42.532 1.00 0.00 H ATOM 315 HG SER A 21 4.326 27.674 41.915 1.00 0.00 H ATOM 316 H SER A 21 6.947 26.102 40.411 1.00 0.00 H ATOM 317 N TYR A 22 8.853 26.408 43.350 1.00 21.29 N ATOM 318 CA TYR A 22 9.848 26.333 44.420 1.00 22.29 C ATOM 319 C TYR A 22 11.301 26.379 43.963 1.00 23.16 C ATOM 320 O TYR A 22 12.209 26.125 44.756 1.00 25.14 O ATOM 321 CB TYR A 22 9.637 25.050 45.220 1.00 20.82 C ATOM 322 CG TYR A 22 8.365 25.019 46.028 1.00 19.76 C ATOM 323 CD1 TYR A 22 8.299 25.629 47.279 1.00 19.41 C ATOM 324 CD2 TYR A 22 7.235 24.350 45.560 1.00 19.16 C ATOM 325 CE1 TYR A 22 7.142 25.570 48.050 1.00 19.33 C ATOM 326 CE2 TYR A 22 6.071 24.283 46.326 1.00 20.23 C ATOM 327 CZ TYR A 22 6.034 24.894 47.569 1.00 20.15 C ATOM 328 OH TYR A 22 4.898 24.814 48.339 1.00 19.92 O ATOM 329 HA TYR A 22 9.688 27.229 45.019 1.00 0.00 H ATOM 330 HB3 TYR A 22 10.478 24.933 45.904 1.00 0.00 H ATOM 331 HB2 TYR A 22 9.618 24.213 44.522 1.00 0.00 H ATOM 332 HD2 TYR A 22 7.261 23.872 44.581 1.00 0.00 H ATOM 333 HE2 TYR A 22 5.196 23.753 45.949 1.00 0.00 H ATOM 334 HE1 TYR A 22 7.108 26.053 49.027 1.00 0.00 H ATOM 335 HD1 TYR A 22 9.170 26.162 47.661 1.00 0.00 H ATOM 336 HH TYR A 22 5.042 25.301 49.189 1.00 0.00 H ATOM 337 H TYR A 22 8.885 25.718 42.573 1.00 0.00 H ATOM 338 N SER A 23 11.536 26.708 42.699 1.00 22.36 N ATOM 339 CA SER A 23 12.900 26.740 42.185 1.00 22.48 C ATOM 340 C SER A 23 13.597 28.098 42.245 1.00 22.75 C ATOM 341 O SER A 23 14.743 28.227 41.813 1.00 23.26 O ATOM 342 CB SER A 23 12.910 26.217 40.746 1.00 21.66 C ATOM 343 OG SER A 23 11.936 26.900 39.978 1.00 22.30 O ATOM 344 HA SER A 23 13.476 26.100 42.853 1.00 0.00 H ATOM 345 HB2 SER A 23 12.687 25.150 40.747 1.00 0.00 H ATOM 346 HB3 SER A 23 13.895 26.380 40.309 1.00 0.00 H ATOM 347 HG SER A 23 12.139 27.869 39.975 1.00 0.00 H ATOM 348 H SER A 23 10.742 26.945 42.071 1.00 0.00 H ATOM 349 N SER A 24 12.916 29.108 42.776 1.00 22.77 N ATOM 350 CA SER A 24 13.505 30.442 42.885 1.00 22.74 C ATOM 351 C SER A 24 12.974 31.130 44.134 1.00 22.34 C ATOM 352 O SER A 24 13.053 32.352 44.268 1.00 22.77 O ATOM 353 CB SER A 24 13.145 31.282 41.656 1.00 22.26 C ATOM 354 OG SER A 24 11.756 31.583 41.637 1.00 23.52 O ATOM 355 HA SER A 24 14.589 30.345 42.947 1.00 0.00 H ATOM 356 HB2 SER A 24 13.402 30.725 40.755 1.00 0.00 H ATOM 357 HB3 SER A 24 13.712 32.213 41.681 1.00 0.00 H ATOM 358 HG SER A 24 11.237 30.740 41.610 1.00 0.00 H ATOM 359 H SER A 24 11.948 28.947 43.120 1.00 0.00 H ATOM 360 N TYR A 25 12.455 30.326 45.055 1.00 21.13 N ATOM 361 CA TYR A 25 11.855 30.833 46.279 1.00 20.08 C ATOM 362 C TYR A 25 12.835 31.158 47.394 1.00 19.36 C ATOM 363 O TYR A 25 13.612 30.311 47.822 1.00 19.55 O ATOM 364 CB TYR A 25 10.821 29.824 46.778 1.00 19.50 C ATOM 365 CG TYR A 25 9.874 30.358 47.824 1.00 20.12 C ATOM 366 CD1 TYR A 25 10.241 30.416 49.170 1.00 19.04 C ATOM 367 CD2 TYR A 25 8.591 30.773 47.470 1.00 20.11 C ATOM 368 CE1 TYR A 25 9.346 30.865 50.139 1.00 19.91 C ATOM 369 CE2 TYR A 25 7.691 31.226 48.428 1.00 21.01 C ATOM 370 CZ TYR A 25 8.072 31.266 49.759 1.00 20.69 C ATOM 371 OH TYR A 25 7.161 31.676 50.706 1.00 21.29 O ATOM 372 HA TYR A 25 11.398 31.787 46.017 1.00 0.00 H ATOM 373 HB3 TYR A 25 11.354 28.974 47.204 1.00 0.00 H ATOM 374 HB2 TYR A 25 10.231 29.491 45.924 1.00 0.00 H ATOM 375 HD2 TYR A 25 8.288 30.742 46.423 1.00 0.00 H ATOM 376 HE2 TYR A 25 6.692 31.548 48.133 1.00 0.00 H ATOM 377 HE1 TYR A 25 9.644 30.901 51.187 1.00 0.00 H ATOM 378 HD1 TYR A 25 11.243 30.105 49.467 1.00 0.00 H ATOM 379 HH TYR A 25 7.583 31.649 51.601 1.00 0.00 H ATOM 380 H TYR A 25 12.478 29.299 44.895 1.00 0.00 H ATOM 381 N GLY A 26 12.784 32.402 47.857 1.00 19.19 N ATOM 382 CA GLY A 26 13.653 32.829 48.935 1.00 18.85 C ATOM 383 C GLY A 26 15.137 32.651 48.692 1.00 19.29 C ATOM 384 O GLY A 26 15.621 32.702 47.559 1.00 18.10 O ATOM 385 HA3 GLY A 26 13.388 32.258 49.825 1.00 0.00 H ATOM 386 HA2 GLY A 26 13.468 33.888 49.116 1.00 0.00 H ATOM 387 H GLY A 26 12.112 33.078 47.441 1.00 0.00 H ATOM 388 N CYS A 27 15.857 32.435 49.785 1.00 19.38 N ATOM 389 CA CYS A 27 17.303 32.274 49.756 1.00 20.49 C ATOM 390 C CYS A 27 17.804 30.854 49.544 1.00 20.58 C ATOM 391 O CYS A 27 18.917 30.652 49.042 1.00 20.07 O ATOM 392 CB CYS A 27 17.893 32.793 51.062 1.00 20.83 C ATOM 393 SG CYS A 27 17.749 34.586 51.308 1.00 23.72 S ATOM 394 HA CYS A 27 17.630 32.843 48.886 1.00 0.00 H ATOM 395 HB2 CYS A 27 18.951 32.532 51.083 1.00 0.00 H ATOM 396 HB3 CYS A 27 17.381 32.296 51.886 1.00 0.00 H ATOM 397 H CYS A 27 15.368 32.378 50.701 1.00 0.00 H ATOM 398 N TYR A 28 16.998 29.868 49.922 1.00 20.93 N ATOM 399 CA TYR A 28 17.437 28.485 49.801 1.00 21.87 C ATOM 400 C TYR A 28 16.722 27.577 48.811 1.00 22.14 C ATOM 401 O TYR A 28 17.224 26.500 48.501 1.00 23.25 O ATOM 402 CB TYR A 28 17.437 27.828 51.184 1.00 22.07 C ATOM 403 CG TYR A 28 18.476 28.426 52.102 1.00 23.12 C ATOM 404 CD1 TYR A 28 18.178 29.524 52.909 1.00 24.27 C ATOM 405 CD2 TYR A 28 19.784 27.944 52.100 1.00 23.57 C ATOM 406 CE1 TYR A 28 19.166 30.134 53.689 1.00 24.59 C ATOM 407 CE2 TYR A 28 20.777 28.545 52.871 1.00 24.94 C ATOM 408 CZ TYR A 28 20.462 29.639 53.659 1.00 26.29 C ATOM 409 OH TYR A 28 21.457 30.249 54.391 1.00 26.64 O ATOM 410 HA TYR A 28 18.432 28.583 49.368 1.00 0.00 H ATOM 411 HB3 TYR A 28 17.643 26.764 51.067 1.00 0.00 H ATOM 412 HB2 TYR A 28 16.453 27.959 51.635 1.00 0.00 H ATOM 413 HD2 TYR A 28 20.035 27.081 51.484 1.00 0.00 H ATOM 414 HE2 TYR A 28 21.795 28.156 52.854 1.00 0.00 H ATOM 415 HE1 TYR A 28 18.920 30.991 54.315 1.00 0.00 H ATOM 416 HD1 TYR A 28 17.160 29.913 52.932 1.00 0.00 H ATOM 417 HH TYR A 28 21.074 31.009 54.897 1.00 0.00 H ATOM 418 H TYR A 28 16.055 30.084 50.304 1.00 0.00 H ATOM 419 N CYS A 29 15.559 27.985 48.321 1.00 22.79 N ATOM 420 CA CYS A 29 14.845 27.154 47.359 1.00 25.01 C ATOM 421 C CYS A 29 15.321 27.512 45.962 1.00 27.92 C ATOM 422 O CYS A 29 14.648 28.224 45.219 1.00 29.32 O ATOM 423 CB CYS A 29 13.341 27.373 47.446 1.00 22.51 C ATOM 424 SG CYS A 29 12.612 27.128 49.091 1.00 19.23 S ATOM 425 HA CYS A 29 15.049 26.107 47.583 1.00 0.00 H ATOM 426 HB2 CYS A 29 12.859 26.679 46.758 1.00 0.00 H ATOM 427 HB3 CYS A 29 13.131 28.396 47.134 1.00 0.00 H ATOM 428 H CYS A 29 15.157 28.896 48.622 1.00 0.00 H ATOM 429 N GLY A 30 16.499 27.011 45.628 1.00 30.54 N ATOM 430 CA GLY A 30 17.100 27.263 44.335 1.00 33.38 C ATOM 431 C GLY A 30 18.477 26.639 44.388 1.00 35.64 C ATOM 432 O GLY A 30 18.652 25.595 45.014 1.00 36.25 O ATOM 433 HA3 GLY A 30 17.176 28.335 44.155 1.00 0.00 H ATOM 434 HA2 GLY A 30 16.506 26.804 43.545 1.00 0.00 H ATOM 435 H GLY A 30 17.008 26.419 46.314 1.00 0.00 H ATOM 436 N TRP A 31 19.390 27.102 43.839 1.00 37.82 N ATOM 437 CA TRP A 31 20.744 26.566 43.854 1.00 40.43 C ATOM 438 C TRP A 31 21.563 27.245 44.942 1.00 40.89 C ATOM 439 O TRP A 31 22.550 26.692 45.427 1.00 41.65 O ATOM 440 CB TRP A 31 20.812 26.572 42.651 1.00 42.62 C ATOM 441 CG TRP A 31 20.438 26.129 41.270 1.00 45.05 C ATOM 442 CD1 TRP A 31 19.867 26.890 40.289 1.00 45.63 C ATOM 443 CD2 TRP A 31 20.595 24.815 40.719 1.00 46.48 C ATOM 444 NE1 TRP A 31 19.661 26.132 39.161 1.00 46.45 N ATOM 445 CE2 TRP A 31 20.096 24.855 39.397 1.00 46.86 C ATOM 446 CE3 TRP A 31 21.105 23.607 41.214 1.00 46.96 C ATOM 447 CZ2 TRP A 31 20.096 23.732 38.562 1.00 47.40 C ATOM 448 CZ3 TRP A 31 21.105 22.489 40.382 1.00 47.54 C ATOM 449 CH2 TRP A 31 20.602 22.562 39.071 1.00 47.82 C ATOM 450 HA TRP A 31 21.136 25.608 44.197 1.00 0.00 H ATOM 451 HB2 TRP A 31 20.627 27.637 42.508 1.00 0.00 H ATOM 452 HB3 TRP A 31 21.881 26.376 42.573 1.00 0.00 H ATOM 453 HE1 TRP A 31 19.242 26.473 38.272 1.00 0.00 H ATOM 454 HD1 TRP A 31 19.612 27.945 40.387 1.00 0.00 H ATOM 455 HZ2 TRP A 31 19.708 23.784 37.545 1.00 0.00 H ATOM 456 HH2 TRP A 31 20.614 21.670 38.445 1.00 0.00 H ATOM 457 HZ3 TRP A 31 21.501 21.544 40.753 1.00 0.00 H ATOM 458 HE3 TRP A 31 21.494 23.543 42.230 1.00 0.00 H ATOM 459 H TRP A 31 19.227 27.971 43.292 1.00 0.00 H ATOM 460 N GLY A 32 21.209 28.610 45.237 1.00 41.41 N ATOM 461 CA GLY A 32 21.921 29.346 46.264 1.00 41.53 C ATOM 462 C GLY A 32 21.879 28.687 47.631 1.00 41.59 C ATOM 463 O GLY A 32 21.273 27.630 47.811 1.00 42.23 O ATOM 464 HA3 GLY A 32 21.477 30.338 46.347 1.00 0.00 H ATOM 465 HA2 GLY A 32 22.963 29.440 45.960 1.00 0.00 H ATOM 466 H GLY A 32 20.439 29.070 44.711 1.00 0.00 H ATOM 467 N GLY A 33 22.526 29.323 48.600 1.00 41.02 N ATOM 468 CA GLY A 33 22.554 28.792 49.948 1.00 40.11 C ATOM 469 C GLY A 33 23.271 29.735 50.891 1.00 38.92 C ATOM 470 O GLY A 33 24.338 29.414 51.409 1.00 39.73 O ATOM 471 HA3 GLY A 33 23.071 27.833 49.942 1.00 0.00 H ATOM 472 HA2 GLY A 33 21.531 28.650 50.296 1.00 0.00 H ATOM 473 H GLY A 33 23.019 30.214 48.389 1.00 0.00 H ATOM 474 N LYS A 34 22.683 30.907 51.112 1.00 37.28 N ATOM 475 CA LYS A 34 23.271 31.905 51.998 1.00 35.84 C ATOM 476 C LYS A 34 22.194 32.763 52.644 1.00 33.93 C ATOM 477 O LYS A 34 21.085 32.877 52.125 1.00 32.84 O ATOM 478 CB LYS A 34 24.220 32.809 51.210 1.00 37.22 C ATOM 479 CG LYS A 34 25.427 32.100 50.623 1.00 38.98 C ATOM 480 CD LYS A 34 26.035 32.896 49.473 1.00 40.39 C ATOM 481 CE LYS A 34 26.443 34.302 49.896 1.00 41.59 C ATOM 482 NZ LYS A 34 26.999 35.087 48.753 1.00 41.45 N ATOM 483 HA LYS A 34 23.820 31.378 52.779 1.00 0.00 H ATOM 484 HB2 LYS A 34 23.659 33.260 50.391 1.00 0.00 H ATOM 485 HB3 LYS A 34 24.577 33.592 51.879 1.00 0.00 H ATOM 486 HG2 LYS A 34 26.178 31.973 51.403 1.00 0.00 H ATOM 487 HG3 LYS A 34 25.119 31.122 50.254 1.00 0.00 H ATOM 488 HD2 LYS A 34 26.917 32.369 49.109 1.00 0.00 H ATOM 489 HD3 LYS A 34 25.301 32.970 48.671 1.00 0.00 H ATOM 490 HE2 LYS A 34 27.201 34.230 50.676 1.00 0.00 H ATOM 491 HE3 LYS A 34 25.568 34.821 50.288 1.00 0.00 H ATOM 492 HZ1 LYS A 34 27.839 34.602 48.377 1.00 0.00 H ATOM 493 HZ2 LYS A 34 26.280 35.166 48.006 1.00 0.00 H ATOM 494 HZ3 LYS A 34 27.264 36.037 49.083 1.00 0.00 H ATOM 495 H LYS A 34 21.780 31.117 50.641 1.00 0.00 H ATOM 496 N GLY A 35 22.531 33.359 53.783 1.00 32.48 N ATOM 497 CA GLY A 35 21.601 34.230 54.477 1.00 30.81 C ATOM 498 C GLY A 35 20.551 33.568 55.345 1.00 30.04 C ATOM 499 O GLY A 35 20.516 32.346 55.500 1.00 29.36 O ATOM 500 HA3 GLY A 35 21.080 34.821 53.724 1.00 0.00 H ATOM 501 HA2 GLY A 35 22.185 34.892 55.116 1.00 0.00 H ATOM 502 H GLY A 35 23.477 33.198 54.184 1.00 0.00 H ATOM 503 N THR A 36 19.688 34.399 55.918 1.00 29.42 N ATOM 504 CA THR A 36 18.615 33.928 56.780 1.00 29.02 C ATOM 505 C THR A 36 17.388 33.561 55.953 1.00 28.38 C ATOM 506 O THR A 36 16.917 34.355 55.136 1.00 28.23 O ATOM 507 CB THR A 36 18.203 35.015 57.798 1.00 30.09 C ATOM 508 OG1 THR A 36 19.337 35.387 58.592 1.00 30.44 O ATOM 509 CG2 THR A 36 17.098 34.498 58.710 1.00 29.56 C ATOM 510 HA THR A 36 18.987 33.052 57.311 1.00 0.00 H ATOM 511 HB THR A 36 17.835 35.883 57.251 1.00 0.00 H ATOM 512 HG1 THR A 36 19.674 34.592 59.077 1.00 0.00 H ATOM 513 HG23 THR A 36 16.235 34.215 58.108 1.00 0.00 H ATOM 514 HG21 THR A 36 17.460 33.629 59.260 1.00 0.00 H ATOM 515 HG22 THR A 36 16.812 35.281 59.412 1.00 0.00 H ATOM 516 H THR A 36 19.782 35.420 55.745 1.00 0.00 H ATOM 517 N PRO A 37 16.858 32.345 56.148 1.00 28.07 N ATOM 518 CA PRO A 37 15.673 31.920 55.396 1.00 27.23 C ATOM 519 C PRO A 37 14.560 32.953 55.571 1.00 27.35 C ATOM 520 O PRO A 37 14.313 33.421 56.685 1.00 27.31 O ATOM 521 CB PRO A 37 15.328 30.581 56.038 1.00 27.00 C ATOM 522 CG PRO A 37 16.675 30.046 56.424 1.00 27.45 C ATOM 523 CD PRO A 37 17.335 31.267 57.030 1.00 27.11 C ATOM 524 HA PRO A 37 15.823 31.830 54.320 1.00 0.00 H ATOM 525 HD3 PRO A 37 17.010 31.424 58.058 1.00 0.00 H ATOM 526 HD2 PRO A 37 18.422 31.184 57.003 1.00 0.00 H ATOM 527 HG3 PRO A 37 17.225 29.689 55.553 1.00 0.00 H ATOM 528 HG2 PRO A 37 16.588 29.240 57.152 1.00 0.00 H ATOM 529 HB2 PRO A 37 14.692 30.716 56.913 1.00 0.00 H ATOM 530 HB3 PRO A 37 14.831 29.920 55.328 1.00 0.00 H ATOM 531 N LYS A 38 13.887 33.298 54.475 1.00 26.65 N ATOM 532 CA LYS A 38 12.822 34.297 54.508 1.00 25.87 C ATOM 533 C LYS A 38 11.588 33.908 55.319 1.00 25.18 C ATOM 534 O LYS A 38 10.962 34.764 55.951 1.00 24.93 O ATOM 535 CB LYS A 38 12.391 34.657 53.081 1.00 26.66 C ATOM 536 CG LYS A 38 13.519 35.158 52.190 1.00 27.42 C ATOM 537 CD LYS A 38 14.295 36.300 52.832 1.00 29.62 C ATOM 538 CE LYS A 38 13.407 37.503 53.109 1.00 29.95 C ATOM 539 NZ LYS A 38 14.178 38.596 53.771 1.00 31.87 N ATOM 540 HA LYS A 38 13.260 35.153 55.021 1.00 0.00 H ATOM 541 HB2 LYS A 38 11.962 33.768 52.620 1.00 0.00 H ATOM 542 HB3 LYS A 38 11.632 35.437 53.141 1.00 0.00 H ATOM 543 HG2 LYS A 38 14.205 34.334 51.994 1.00 0.00 H ATOM 544 HG3 LYS A 38 13.095 35.507 51.249 1.00 0.00 H ATOM 545 HD2 LYS A 38 14.721 35.952 53.773 1.00 0.00 H ATOM 546 HD3 LYS A 38 15.099 36.602 52.160 1.00 0.00 H ATOM 547 HE2 LYS A 38 12.588 37.199 53.761 1.00 0.00 H ATOM 548 HE3 LYS A 38 13.002 37.872 52.167 1.00 0.00 H ATOM 549 HZ1 LYS A 38 14.563 38.250 54.673 1.00 0.00 H ATOM 550 HZ2 LYS A 38 14.959 38.893 53.151 1.00 0.00 H ATOM 551 HZ3 LYS A 38 13.548 39.404 53.949 1.00 0.00 H ATOM 552 H LYS A 38 14.126 32.844 53.571 1.00 0.00 H ATOM 553 N ASP A 39 11.232 32.628 55.296 1.00 23.21 N ATOM 554 CA ASP A 39 10.060 32.150 56.026 1.00 22.79 C ATOM 555 C ASP A 39 10.080 30.633 56.196 1.00 22.04 C ATOM 556 O ASP A 39 11.097 29.993 55.917 1.00 21.43 O ATOM 557 CB ASP A 39 8.777 32.577 55.303 1.00 21.61 C ATOM 558 CG ASP A 39 8.653 31.972 53.912 1.00 21.73 C ATOM 559 OD1 ASP A 39 9.554 31.210 53.502 1.00 20.40 O ATOM 560 OD2 ASP A 39 7.646 32.264 53.233 1.00 20.31 O ATOM 561 HA ASP A 39 10.085 32.598 57.019 1.00 0.00 H ATOM 562 HB2 ASP A 39 7.920 32.261 55.898 1.00 0.00 H ATOM 563 HB3 ASP A 39 8.774 33.663 55.212 1.00 0.00 H ATOM 564 H ASP A 39 11.800 31.952 54.747 1.00 0.00 H ATOM 565 N ALA A 40 8.957 30.068 56.644 1.00 22.03 N ATOM 566 CA ALA A 40 8.846 28.624 56.871 1.00 21.25 C ATOM 567 C ALA A 40 9.182 27.804 55.631 1.00 20.82 C ATOM 568 O ALA A 40 9.934 26.833 55.710 1.00 19.12 O ATOM 569 CB ALA A 40 7.440 28.268 57.367 1.00 21.76 C ATOM 570 HA ALA A 40 9.581 28.370 57.634 1.00 0.00 H ATOM 571 HB1 ALA A 40 7.243 28.791 58.303 1.00 0.00 H ATOM 572 HB2 ALA A 40 6.706 28.568 56.620 1.00 0.00 H ATOM 573 HB3 ALA A 40 7.375 27.192 57.530 1.00 0.00 H ATOM 574 H ALA A 40 8.133 30.672 56.839 1.00 0.00 H ATOM 575 N THR A 41 8.626 28.189 54.488 1.00 19.93 N ATOM 576 CA THR A 41 8.900 27.469 53.247 1.00 19.42 C ATOM 577 C THR A 41 10.396 27.522 52.935 1.00 19.09 C ATOM 578 O THR A 41 11.010 26.503 52.603 1.00 18.92 O ATOM 579 CB THR A 41 8.096 28.071 52.072 1.00 19.63 C ATOM 580 OG1 THR A 41 6.699 27.815 52.273 1.00 20.48 O ATOM 581 CG2 THR A 41 8.532 27.463 50.751 1.00 20.10 C ATOM 582 HA THR A 41 8.594 26.431 53.377 1.00 0.00 H ATOM 583 HB THR A 41 8.281 29.145 52.039 1.00 0.00 H ATOM 584 HG1 THR A 41 6.407 28.231 53.123 1.00 0.00 H ATOM 585 HG23 THR A 41 9.593 27.656 50.596 1.00 0.00 H ATOM 586 HG21 THR A 41 8.357 26.387 50.772 1.00 0.00 H ATOM 587 HG22 THR A 41 7.958 27.910 49.940 1.00 0.00 H ATOM 588 H THR A 41 7.989 29.011 54.476 1.00 0.00 H ATOM 589 N ASP A 42 10.989 28.707 53.060 1.00 18.74 N ATOM 590 CA ASP A 42 12.412 28.870 52.789 1.00 18.98 C ATOM 591 C ASP A 42 13.226 28.001 53.755 1.00 19.73 C ATOM 592 O ASP A 42 14.232 27.413 53.363 1.00 19.05 O ATOM 593 CB ASP A 42 12.807 30.344 52.921 1.00 18.55 C ATOM 594 CG ASP A 42 14.073 30.683 52.161 1.00 18.32 C ATOM 595 OD1 ASP A 42 14.553 29.834 51.379 1.00 17.23 O ATOM 596 OD2 ASP A 42 14.590 31.806 52.343 1.00 18.26 O ATOM 597 HA ASP A 42 12.624 28.549 51.769 1.00 0.00 H ATOM 598 HB2 ASP A 42 11.994 30.959 52.535 1.00 0.00 H ATOM 599 HB3 ASP A 42 12.963 30.570 53.976 1.00 0.00 H ATOM 600 H ASP A 42 10.427 29.531 53.356 1.00 0.00 H ATOM 601 N ARG A 43 12.786 27.916 55.011 1.00 19.90 N ATOM 602 CA ARG A 43 13.483 27.079 55.987 1.00 20.24 C ATOM 603 C ARG A 43 13.394 25.608 55.582 1.00 19.44 C ATOM 604 O ARG A 43 14.304 24.823 55.866 1.00 19.38 O ATOM 605 CB ARG A 43 12.909 27.276 57.398 1.00 21.86 C ATOM 606 CG ARG A 43 13.411 28.543 58.085 1.00 24.35 C ATOM 607 CD ARG A 43 13.132 28.524 59.583 1.00 26.45 C ATOM 608 NE ARG A 43 11.706 28.546 59.876 1.00 27.97 N ATOM 609 CZ ARG A 43 10.933 29.620 59.751 1.00 29.34 C ATOM 610 NH1 ARG A 43 11.451 30.770 59.340 1.00 30.17 N ATOM 611 NH2 ARG A 43 9.638 29.541 60.028 1.00 28.94 N ATOM 612 HA ARG A 43 14.530 27.381 56.003 1.00 0.00 H ATOM 613 HB2 ARG A 43 11.823 27.329 57.325 1.00 0.00 H ATOM 614 HB3 ARG A 43 13.189 26.417 58.008 1.00 0.00 H ATOM 615 HG2 ARG A 43 14.486 28.628 57.927 1.00 0.00 H ATOM 616 HG3 ARG A 43 12.911 29.405 57.644 1.00 0.00 H ATOM 617 HD2 ARG A 43 13.598 29.398 60.039 1.00 0.00 H ATOM 618 HD3 ARG A 43 13.565 27.619 60.010 1.00 0.00 H ATOM 619 HE ARG A 43 11.263 27.664 60.204 1.00 0.00 H ATOM 620 HH12 ARG A 43 10.844 31.609 59.243 1.00 0.00 H ATOM 621 HH11 ARG A 43 12.464 30.833 59.115 1.00 0.00 H ATOM 622 HH22 ARG A 43 9.033 30.381 59.930 1.00 0.00 H ATOM 623 HH21 ARG A 43 9.228 28.639 60.343 1.00 0.00 H ATOM 624 H ARG A 43 11.941 28.449 55.299 1.00 0.00 H ATOM 625 N CYS A 44 12.307 25.227 54.917 1.00 18.10 N ATOM 626 CA CYS A 44 12.184 23.844 54.473 1.00 18.28 C ATOM 627 C CYS A 44 13.348 23.563 53.534 1.00 18.68 C ATOM 628 O CYS A 44 13.949 22.486 53.577 1.00 17.89 O ATOM 629 CB CYS A 44 10.886 23.612 53.699 1.00 19.28 C ATOM 630 SG CYS A 44 9.316 23.760 54.607 1.00 20.00 S ATOM 631 HA CYS A 44 12.184 23.191 55.346 1.00 0.00 H ATOM 632 HB2 CYS A 44 10.929 22.604 53.287 1.00 0.00 H ATOM 633 HB3 CYS A 44 10.860 24.336 52.884 1.00 0.00 H ATOM 634 H CYS A 44 11.550 25.911 54.715 1.00 0.00 H ATOM 635 N CYS A 45 13.656 24.533 52.674 1.00 17.87 N ATOM 636 CA CYS A 45 14.748 24.380 51.724 1.00 18.02 C ATOM 637 C CYS A 45 16.093 24.407 52.423 1.00 18.59 C ATOM 638 O CYS A 45 17.001 23.682 52.035 1.00 18.27 O ATOM 639 CB CYS A 45 14.681 25.461 50.637 1.00 18.19 C ATOM 640 SG CYS A 45 13.176 25.252 49.633 1.00 18.65 S ATOM 641 HA CYS A 45 14.638 23.406 51.247 1.00 0.00 H ATOM 642 HB2 CYS A 45 15.557 25.380 49.994 1.00 0.00 H ATOM 643 HB3 CYS A 45 14.667 26.444 51.107 1.00 0.00 H ATOM 644 H CYS A 45 13.106 25.416 52.682 1.00 0.00 H ATOM 645 N PHE A 46 16.216 25.247 53.448 1.00 18.54 N ATOM 646 CA PHE A 46 17.458 25.320 54.214 1.00 19.50 C ATOM 647 C PHE A 46 17.750 23.934 54.794 1.00 18.02 C ATOM 648 O PHE A 46 18.849 23.398 54.648 1.00 18.01 O ATOM 649 CB PHE A 46 17.324 26.320 55.363 1.00 20.84 C ATOM 650 CG PHE A 46 18.522 26.351 56.273 1.00 23.79 C ATOM 651 CD1 PHE A 46 19.718 26.924 55.854 1.00 24.02 C ATOM 652 CD2 PHE A 46 18.467 25.764 57.531 1.00 25.74 C ATOM 653 CE1 PHE A 46 20.847 26.909 56.677 1.00 26.56 C ATOM 654 CE2 PHE A 46 19.591 25.745 58.363 1.00 27.02 C ATOM 655 CZ PHE A 46 20.779 26.317 57.932 1.00 25.69 C ATOM 656 HA PHE A 46 18.266 25.646 53.559 1.00 0.00 H ATOM 657 HB2 PHE A 46 17.185 27.315 54.941 1.00 0.00 H ATOM 658 HB3 PHE A 46 16.448 26.052 55.954 1.00 0.00 H ATOM 659 HD2 PHE A 46 17.536 25.313 57.874 1.00 0.00 H ATOM 660 HE2 PHE A 46 19.534 25.282 59.348 1.00 0.00 H ATOM 661 HZ PHE A 46 21.658 26.302 58.577 1.00 0.00 H ATOM 662 HE1 PHE A 46 21.778 27.360 56.335 1.00 0.00 H ATOM 663 HD1 PHE A 46 19.775 27.391 54.871 1.00 0.00 H ATOM 664 H PHE A 46 15.417 25.860 53.707 1.00 0.00 H ATOM 665 N VAL A 47 16.752 23.375 55.470 1.00 18.92 N ATOM 666 CA VAL A 47 16.870 22.053 56.074 1.00 18.29 C ATOM 667 C VAL A 47 17.166 21.005 55.002 1.00 18.47 C ATOM 668 O VAL A 47 17.988 20.106 55.204 1.00 17.46 O ATOM 669 CB VAL A 47 15.569 21.687 56.824 1.00 17.78 C ATOM 670 CG1 VAL A 47 15.610 20.240 57.305 1.00 19.12 C ATOM 671 CG2 VAL A 47 15.385 22.634 58.005 1.00 20.49 C ATOM 672 HA VAL A 47 17.694 22.071 56.787 1.00 0.00 H ATOM 673 HB VAL A 47 14.725 21.789 56.142 1.00 0.00 H ATOM 674 HG11 VAL A 47 15.721 19.576 56.447 1.00 0.00 H ATOM 675 HG12 VAL A 47 16.455 20.107 57.980 1.00 0.00 H ATOM 676 HG13 VAL A 47 14.684 20.006 57.830 1.00 0.00 H ATOM 677 HG21 VAL A 47 16.235 22.540 58.680 1.00 0.00 H ATOM 678 HG22 VAL A 47 15.321 23.659 57.640 1.00 0.00 H ATOM 679 HG23 VAL A 47 14.468 22.377 58.535 1.00 0.00 H ATOM 680 H VAL A 47 15.858 23.897 55.572 1.00 0.00 H ATOM 681 N HIS A 48 16.495 21.119 53.859 1.00 18.18 N ATOM 682 CA HIS A 48 16.720 20.177 52.767 1.00 17.60 C ATOM 683 C HIS A 48 18.192 20.207 52.339 1.00 19.30 C ATOM 684 O HIS A 48 18.799 19.160 52.080 1.00 18.60 O ATOM 685 CB HIS A 48 15.807 20.522 51.586 1.00 18.74 C ATOM 686 CG HIS A 48 15.850 19.522 50.476 1.00 18.25 C ATOM 687 ND1 HIS A 48 16.394 19.803 49.242 1.00 19.27 N ATOM 688 CD2 HIS A 48 15.422 18.238 50.416 1.00 18.75 C ATOM 689 CE1 HIS A 48 16.298 18.736 48.469 1.00 19.33 C ATOM 690 NE2 HIS A 48 15.712 17.772 49.157 1.00 18.02 N ATOM 691 HA HIS A 48 16.482 19.170 53.109 1.00 0.00 H ATOM 692 HB2 HIS A 48 14.782 20.586 51.951 1.00 0.00 H ATOM 693 HB3 HIS A 48 16.111 21.490 51.188 1.00 0.00 H ATOM 694 HD2 HIS A 48 14.938 17.679 51.217 1.00 0.00 H ATOM 695 HE1 HIS A 48 16.644 18.663 47.438 1.00 0.00 H ATOM 696 H HIS A 48 15.803 21.887 53.742 1.00 0.00 H ATOM 697 N ASP A 49 18.769 21.405 52.276 1.00 20.28 N ATOM 698 CA ASP A 49 20.172 21.552 51.896 1.00 21.32 C ATOM 699 C ASP A 49 21.063 20.902 52.942 1.00 21.28 C ATOM 700 O ASP A 49 22.026 20.220 52.608 1.00 22.21 O ATOM 701 CB ASP A 49 20.563 23.028 51.764 1.00 23.53 C ATOM 702 CG ASP A 49 20.082 23.654 50.467 1.00 27.03 C ATOM 703 OD1 ASP A 49 19.774 22.908 49.512 1.00 27.19 O ATOM 704 OD2 ASP A 49 20.034 24.903 50.401 1.00 29.00 O ATOM 705 HA ASP A 49 20.305 21.065 50.930 1.00 0.00 H ATOM 706 HB2 ASP A 49 20.129 23.579 52.598 1.00 0.00 H ATOM 707 HB3 ASP A 49 21.649 23.105 51.806 1.00 0.00 H ATOM 708 H ASP A 49 18.210 22.253 52.502 1.00 0.00 H ATOM 709 N CYS A 50 20.737 21.118 54.213 1.00 22.25 N ATOM 710 CA CYS A 50 21.519 20.540 55.303 1.00 22.06 C ATOM 711 C CYS A 50 21.483 19.018 55.234 1.00 21.38 C ATOM 712 O CYS A 50 22.486 18.343 55.488 1.00 20.78 O ATOM 713 CB CYS A 50 20.966 21.001 56.649 1.00 24.27 C ATOM 714 SG CYS A 50 21.140 22.785 56.969 1.00 27.07 S ATOM 715 HA CYS A 50 22.551 20.877 55.202 1.00 0.00 H ATOM 716 HB2 CYS A 50 21.492 20.461 57.436 1.00 0.00 H ATOM 717 HB3 CYS A 50 19.906 20.751 56.685 1.00 0.00 H ATOM 718 H CYS A 50 19.911 21.709 54.435 1.00 0.00 H ATOM 719 N CYS A 51 20.313 18.483 54.902 1.00 19.51 N ATOM 720 CA CYS A 51 20.130 17.041 54.789 1.00 19.04 C ATOM 721 C CYS A 51 21.047 16.547 53.666 1.00 19.14 C ATOM 722 O CYS A 51 21.842 15.623 53.850 1.00 19.01 O ATOM 723 CB CYS A 51 18.662 16.748 54.475 1.00 18.92 C ATOM 724 SG CYS A 51 18.069 15.052 54.796 1.00 18.27 S ATOM 725 HA CYS A 51 20.384 16.529 55.717 1.00 0.00 H ATOM 726 HB2 CYS A 51 18.503 16.957 53.417 1.00 0.00 H ATOM 727 HB3 CYS A 51 18.055 17.428 55.073 1.00 0.00 H ATOM 728 H CYS A 51 19.505 19.111 54.717 1.00 0.00 H ATOM 729 N TYR A 52 20.952 17.183 52.505 1.00 19.31 N ATOM 730 CA TYR A 52 21.799 16.820 51.373 1.00 20.14 C ATOM 731 C TYR A 52 23.273 16.968 51.743 1.00 20.18 C ATOM 732 O TYR A 52 24.104 16.142 51.361 1.00 20.72 O ATOM 733 CB TYR A 52 21.504 17.731 50.182 1.00 20.85 C ATOM 734 CG TYR A 52 20.415 17.248 49.252 1.00 21.32 C ATOM 735 CD1 TYR A 52 19.455 16.329 49.674 1.00 22.15 C ATOM 736 CD2 TYR A 52 20.326 17.743 47.953 1.00 22.13 C ATOM 737 CE1 TYR A 52 18.430 15.916 48.820 1.00 21.40 C ATOM 738 CE2 TYR A 52 19.310 17.338 47.095 1.00 22.36 C ATOM 739 CZ TYR A 52 18.366 16.429 47.534 1.00 22.51 C ATOM 740 OH TYR A 52 17.345 16.058 46.689 1.00 22.61 O ATOM 741 HA TYR A 52 21.588 15.783 51.110 1.00 0.00 H ATOM 742 HB3 TYR A 52 22.421 17.834 49.602 1.00 0.00 H ATOM 743 HB2 TYR A 52 21.208 18.706 50.569 1.00 0.00 H ATOM 744 HD2 TYR A 52 21.067 18.461 47.603 1.00 0.00 H ATOM 745 HE2 TYR A 52 19.258 17.735 46.081 1.00 0.00 H ATOM 746 HE1 TYR A 52 17.686 15.196 49.162 1.00 0.00 H ATOM 747 HD1 TYR A 52 19.505 15.927 50.686 1.00 0.00 H ATOM 748 HH TYR A 52 16.758 15.406 47.149 1.00 0.00 H ATOM 749 H TYR A 52 20.262 17.954 52.400 1.00 0.00 H ATOM 750 N GLY A 53 23.581 18.037 52.473 1.00 20.59 N ATOM 751 CA GLY A 53 24.949 18.310 52.886 1.00 22.13 C ATOM 752 C GLY A 53 25.527 17.236 53.789 1.00 22.61 C ATOM 753 O GLY A 53 26.744 17.161 53.989 1.00 23.36 O ATOM 754 HA3 GLY A 53 24.967 19.259 53.421 1.00 0.00 H ATOM 755 HA2 GLY A 53 25.572 18.385 51.995 1.00 0.00 H ATOM 756 H GLY A 53 22.825 18.693 52.755 1.00 0.00 H ATOM 757 N ASN A 54 24.652 16.405 54.342 1.00 21.08 N ATOM 758 CA ASN A 54 25.081 15.329 55.217 1.00 20.99 C ATOM 759 C ASN A 54 25.082 13.984 54.509 1.00 19.69 C ATOM 760 O ASN A 54 25.102 12.930 55.139 1.00 20.11 O ATOM 761 CB ASN A 54 24.211 15.303 56.470 1.00 21.27 C ATOM 762 CG ASN A 54 24.704 16.279 57.519 1.00 23.17 C ATOM 763 OD1 ASN A 54 25.606 15.960 58.300 1.00 22.43 O ATOM 764 ND2 ASN A 54 24.143 17.484 57.523 1.00 23.10 N ATOM 765 HA ASN A 54 26.113 15.521 55.512 1.00 0.00 H ATOM 766 HB2 ASN A 54 23.189 15.566 56.196 1.00 0.00 H ATOM 767 HB3 ASN A 54 24.226 14.297 56.889 1.00 0.00 H ATOM 768 HD22 ASN A 54 23.386 17.707 56.846 1.00 0.00 H ATOM 769 HD21 ASN A 54 24.461 18.203 58.203 1.00 0.00 H ATOM 770 H ASN A 54 23.638 16.527 54.144 1.00 0.00 H ATOM 771 N LEU A 55 25.080 14.046 53.182 1.00 19.87 N ATOM 772 CA LEU A 55 25.126 12.864 52.337 1.00 20.69 C ATOM 773 C LEU A 55 26.351 13.050 51.436 1.00 21.89 C ATOM 774 O LEU A 55 26.252 12.975 50.211 1.00 23.02 O ATOM 775 CB LEU A 55 23.865 12.769 51.479 1.00 20.07 C ATOM 776 CG LEU A 55 22.511 12.781 52.198 1.00 20.69 C ATOM 777 CD1 LEU A 55 21.401 12.569 51.165 1.00 20.78 C ATOM 778 CD2 LEU A 55 22.466 11.685 53.255 1.00 20.92 C ATOM 779 HA LEU A 55 25.186 11.952 52.931 1.00 0.00 H ATOM 780 HB2 LEU A 55 23.875 13.613 50.790 1.00 0.00 H ATOM 781 HB3 LEU A 55 23.925 11.839 50.913 1.00 0.00 H ATOM 782 HG LEU A 55 22.369 13.740 52.696 1.00 0.00 H ATOM 783 HD21 LEU A 55 22.608 10.715 52.778 1.00 0.00 H ATOM 784 HD22 LEU A 55 23.259 11.852 53.984 1.00 0.00 H ATOM 785 HD23 LEU A 55 21.499 11.706 53.757 1.00 0.00 H ATOM 786 HD11 LEU A 55 21.435 13.371 50.427 1.00 0.00 H ATOM 787 HD12 LEU A 55 21.547 11.610 50.668 1.00 0.00 H ATOM 788 HD13 LEU A 55 20.433 12.576 51.667 1.00 0.00 H ATOM 789 H LEU A 55 25.044 14.981 52.728 1.00 0.00 H ATOM 790 N PRO A 56 27.526 13.301 52.038 1.00 22.78 N ATOM 791 CA PRO A 56 28.743 13.499 51.242 1.00 23.23 C ATOM 792 C PRO A 56 29.117 12.306 50.370 1.00 23.88 C ATOM 793 O PRO A 56 29.719 12.468 49.307 1.00 23.04 O ATOM 794 CB PRO A 56 29.798 13.805 52.300 1.00 23.76 C ATOM 795 CG PRO A 56 29.345 12.967 53.466 1.00 23.76 C ATOM 796 CD PRO A 56 27.848 13.226 53.476 1.00 23.65 C ATOM 797 HA PRO A 56 28.623 14.294 50.506 1.00 0.00 H ATOM 798 HD3 PRO A 56 27.310 12.410 53.958 1.00 0.00 H ATOM 799 HD2 PRO A 56 27.614 14.163 53.982 1.00 0.00 H ATOM 800 HG3 PRO A 56 29.811 13.295 54.395 1.00 0.00 H ATOM 801 HG2 PRO A 56 29.564 11.911 53.305 1.00 0.00 H ATOM 802 HB2 PRO A 56 30.791 13.508 51.963 1.00 0.00 H ATOM 803 HB3 PRO A 56 29.804 14.865 52.555 1.00 0.00 H ATOM 804 N ASP A 59 28.752 11.111 50.819 1.00 24.07 N ATOM 805 CA ASP A 59 29.053 9.892 50.079 1.00 26.24 C ATOM 806 C ASP A 59 28.070 9.645 48.938 1.00 26.25 C ATOM 807 O ASP A 59 28.127 8.607 48.279 1.00 27.49 O ATOM 808 CB ASP A 59 29.054 8.692 51.032 1.00 27.08 C ATOM 809 CG ASP A 59 27.708 8.471 51.701 1.00 28.42 C ATOM 810 OD1 ASP A 59 27.142 9.442 52.243 1.00 29.25 O ATOM 811 OD2 ASP A 59 27.220 7.322 51.692 1.00 30.45 O ATOM 812 HA ASP A 59 30.041 10.018 49.635 1.00 0.00 H ATOM 813 HB2 ASP A 59 29.313 7.797 50.466 1.00 0.00 H ATOM 814 HB3 ASP A 59 29.804 8.861 51.805 1.00 0.00 H ATOM 815 H ASP A 59 28.239 11.043 51.721 1.00 0.00 H ATOM 816 N CYS A 61 27.180 10.601 48.693 1.00 26.86 N ATOM 817 CA CYS A 61 26.188 10.454 47.628 1.00 27.58 C ATOM 818 C CYS A 61 26.153 11.649 46.681 1.00 28.25 C ATOM 819 O CYS A 61 26.898 12.613 46.849 1.00 28.47 O ATOM 820 CB CYS A 61 24.789 10.275 48.227 1.00 26.12 C ATOM 821 SG CYS A 61 24.652 9.063 49.580 1.00 26.15 S ATOM 822 HA CYS A 61 26.484 9.574 47.057 1.00 0.00 H ATOM 823 HB2 CYS A 61 24.120 9.959 47.426 1.00 0.00 H ATOM 824 HB3 CYS A 61 24.463 11.242 48.610 1.00 0.00 H ATOM 825 H CYS A 61 27.189 11.468 49.268 1.00 0.00 H ATOM 826 N ASN A 67 25.270 11.565 45.688 1.00 29.91 N ATOM 827 CA ASN A 67 25.059 12.622 44.697 1.00 31.39 C ATOM 828 C ASN A 67 23.551 12.898 44.728 1.00 32.18 C ATOM 829 O ASN A 67 22.820 12.527 43.812 1.00 31.76 O ATOM 830 CB ASN A 67 25.476 12.135 43.305 1.00 32.72 C ATOM 831 CG ASN A 67 26.947 11.772 43.231 1.00 33.22 C ATOM 832 OD1 ASN A 67 27.816 12.645 43.226 1.00 34.37 O ATOM 833 ND2 ASN A 67 27.234 10.479 43.186 1.00 34.34 N ATOM 834 HA ASN A 67 25.647 13.513 44.916 1.00 0.00 H ATOM 835 HB2 ASN A 67 24.886 11.255 43.051 1.00 0.00 H ATOM 836 HB3 ASN A 67 25.275 12.926 42.583 1.00 0.00 H ATOM 837 HD22 ASN A 67 26.468 9.776 43.192 1.00 0.00 H ATOM 838 HD21 ASN A 67 28.225 10.168 43.144 1.00 0.00 H ATOM 839 H ASN A 67 24.698 10.700 45.612 1.00 0.00 H ATOM 840 N PRO A 68 23.075 13.560 45.795 1.00 33.17 N ATOM 841 CA PRO A 68 21.671 13.916 46.037 1.00 34.10 C ATOM 842 C PRO A 68 20.872 14.498 44.871 1.00 35.59 C ATOM 843 O PRO A 68 19.791 14.010 44.541 1.00 35.41 O ATOM 844 CB PRO A 68 21.764 14.894 47.205 1.00 33.74 C ATOM 845 CG PRO A 68 22.963 14.416 47.945 1.00 33.68 C ATOM 846 CD PRO A 68 23.938 14.165 46.826 1.00 32.78 C ATOM 847 HA PRO A 68 21.096 13.010 46.226 1.00 0.00 H ATOM 848 HD3 PRO A 68 24.384 15.095 46.473 1.00 0.00 H ATOM 849 HD2 PRO A 68 24.727 13.479 47.134 1.00 0.00 H ATOM 850 HG3 PRO A 68 22.750 13.501 48.498 1.00 0.00 H ATOM 851 HG2 PRO A 68 23.335 15.176 48.632 1.00 0.00 H ATOM 852 HB2 PRO A 68 21.903 15.916 46.851 1.00 0.00 H ATOM 853 HB3 PRO A 68 20.872 14.845 47.830 1.00 0.00 H ATOM 854 N LYS A 69 21.403 15.544 44.256 1.00 37.24 N ATOM 855 CA LYS A 69 20.721 16.208 43.156 1.00 38.75 C ATOM 856 C LYS A 69 20.750 15.438 41.838 1.00 39.31 C ATOM 857 O LYS A 69 20.020 15.774 40.905 1.00 39.63 O ATOM 858 CB LYS A 69 21.323 17.603 42.976 1.00 39.98 C ATOM 859 CG LYS A 69 21.248 18.437 44.252 1.00 42.10 C ATOM 860 CD LYS A 69 22.292 19.544 44.305 1.00 43.80 C ATOM 861 CE LYS A 69 22.021 20.643 43.294 1.00 44.64 C ATOM 862 NZ LYS A 69 22.998 21.758 43.460 1.00 46.43 N ATOM 863 HA LYS A 69 19.666 16.267 43.425 1.00 0.00 H ATOM 864 HB2 LYS A 69 22.369 17.499 42.686 1.00 0.00 H ATOM 865 HB3 LYS A 69 20.778 18.121 42.186 1.00 0.00 H ATOM 866 HG2 LYS A 69 20.258 18.890 44.313 1.00 0.00 H ATOM 867 HG3 LYS A 69 21.398 17.778 45.107 1.00 0.00 H ATOM 868 HD2 LYS A 69 22.291 19.979 45.304 1.00 0.00 H ATOM 869 HD3 LYS A 69 23.271 19.112 44.099 1.00 0.00 H ATOM 870 HE2 LYS A 69 21.011 21.026 43.442 1.00 0.00 H ATOM 871 HE3 LYS A 69 22.110 20.235 42.287 1.00 0.00 H ATOM 872 HZ1 LYS A 69 22.913 22.152 44.419 1.00 0.00 H ATOM 873 HZ2 LYS A 69 23.962 21.396 43.316 1.00 0.00 H ATOM 874 HZ3 LYS A 69 22.797 22.500 42.760 1.00 0.00 H ATOM 875 H LYS A 69 22.330 15.899 44.567 1.00 0.00 H ATOM 876 N SER A 70 21.570 14.395 41.764 1.00 39.20 N ATOM 877 CA SER A 70 21.679 13.612 40.536 1.00 39.44 C ATOM 878 C SER A 70 21.217 12.158 40.649 1.00 38.56 C ATOM 879 O SER A 70 20.568 11.643 39.740 1.00 38.45 O ATOM 880 CB SER A 70 23.125 13.639 40.031 1.00 40.55 C ATOM 881 OG SER A 70 23.560 14.968 39.802 1.00 43.00 O ATOM 882 HA SER A 70 20.997 14.089 39.832 1.00 0.00 H ATOM 883 HB2 SER A 70 23.187 13.078 39.099 1.00 0.00 H ATOM 884 HB3 SER A 70 23.772 13.176 40.776 1.00 0.00 H ATOM 885 HG SER A 70 24.495 14.957 39.477 1.00 0.00 H ATOM 886 H SER A 70 22.142 14.133 42.592 1.00 0.00 H ATOM 887 N ASP A 71 21.554 11.499 41.754 1.00 37.78 N ATOM 888 CA ASP A 71 21.183 10.098 41.950 1.00 37.22 C ATOM 889 C ASP A 71 19.688 9.822 41.817 1.00 36.79 C ATOM 890 O ASP A 71 18.860 10.506 42.419 1.00 36.31 O ATOM 891 CB ASP A 71 21.661 9.595 43.319 1.00 37.50 C ATOM 892 CG ASP A 71 23.175 9.564 43.440 1.00 38.47 C ATOM 893 OD1 ASP A 71 23.850 9.298 42.422 1.00 38.78 O ATOM 894 OD2 ASP A 71 23.691 9.787 44.558 1.00 38.92 O ATOM 895 HA ASP A 71 21.681 9.558 41.144 1.00 0.00 H ATOM 896 HB2 ASP A 71 21.263 10.254 44.091 1.00 0.00 H ATOM 897 HB3 ASP A 71 21.279 8.586 43.472 1.00 0.00 H ATOM 898 H ASP A 71 22.093 11.991 42.495 1.00 0.00 H ATOM 899 N ARG A 72 19.352 8.801 41.033 1.00 36.31 N ATOM 900 CA ARG A 72 17.961 8.414 40.823 1.00 35.65 C ATOM 901 C ARG A 72 17.537 7.418 41.900 1.00 34.90 C ATOM 902 O ARG A 72 18.361 6.663 42.413 1.00 35.96 O ATOM 903 CB ARG A 72 17.794 7.775 39.438 1.00 36.51 C ATOM 904 CG ARG A 72 18.169 8.685 38.274 1.00 37.69 C ATOM 905 CD ARG A 72 17.227 9.876 38.170 1.00 38.41 C ATOM 906 NE ARG A 72 15.854 9.459 37.900 1.00 39.17 N ATOM 907 CZ ARG A 72 15.449 8.906 36.760 1.00 39.73 C ATOM 908 NH1 ARG A 72 16.313 8.704 35.775 1.00 40.67 N ATOM 909 NH2 ARG A 72 14.180 8.550 36.607 1.00 40.18 N ATOM 910 HA ARG A 72 17.334 9.303 40.882 1.00 0.00 H ATOM 911 HB2 ARG A 72 18.425 6.887 39.394 1.00 0.00 H ATOM 912 HB3 ARG A 72 16.750 7.484 39.321 1.00 0.00 H ATOM 913 HG2 ARG A 72 19.186 9.049 38.422 1.00 0.00 H ATOM 914 HG3 ARG A 72 18.121 8.113 37.347 1.00 0.00 H ATOM 915 HD2 ARG A 72 17.565 10.524 37.361 1.00 0.00 H ATOM 916 HD3 ARG A 72 17.250 10.428 39.110 1.00 0.00 H ATOM 917 HE ARG A 72 15.146 9.604 38.648 1.00 0.00 H ATOM 918 HH12 ARG A 72 15.994 8.272 34.884 1.00 0.00 H ATOM 919 HH11 ARG A 72 17.309 8.978 35.893 1.00 0.00 H ATOM 920 HH22 ARG A 72 13.865 8.118 35.715 1.00 0.00 H ATOM 921 HH21 ARG A 72 13.500 8.703 37.379 1.00 0.00 H ATOM 922 H ARG A 72 20.103 8.263 40.556 1.00 0.00 H ATOM 923 N TYR A 73 16.256 7.424 42.250 1.00 33.55 N ATOM 924 CA TYR A 73 15.744 6.504 43.259 1.00 32.65 C ATOM 925 C TYR A 73 14.254 6.280 43.054 1.00 32.91 C ATOM 926 O TYR A 73 13.608 7.007 42.300 1.00 33.43 O ATOM 927 CB TYR A 73 16.013 7.046 44.670 1.00 31.49 C ATOM 928 CG TYR A 73 15.247 8.304 45.037 1.00 29.54 C ATOM 929 CD1 TYR A 73 13.920 8.241 45.468 1.00 28.63 C ATOM 930 CD2 TYR A 73 15.854 9.557 44.959 1.00 29.18 C ATOM 931 CE1 TYR A 73 13.218 9.398 45.812 1.00 27.43 C ATOM 932 CE2 TYR A 73 15.161 10.717 45.300 1.00 27.41 C ATOM 933 CZ TYR A 73 13.846 10.631 45.724 1.00 27.22 C ATOM 934 OH TYR A 73 13.160 11.783 46.049 1.00 25.93 O ATOM 935 HA TYR A 73 16.261 5.550 43.154 1.00 0.00 H ATOM 936 HB3 TYR A 73 17.078 7.264 44.750 1.00 0.00 H ATOM 937 HB2 TYR A 73 15.748 6.268 45.386 1.00 0.00 H ATOM 938 HD2 TYR A 73 16.889 9.630 44.625 1.00 0.00 H ATOM 939 HE2 TYR A 73 15.652 11.688 45.233 1.00 0.00 H ATOM 940 HE1 TYR A 73 12.183 9.332 46.148 1.00 0.00 H ATOM 941 HD1 TYR A 73 13.424 7.273 45.537 1.00 0.00 H ATOM 942 HH TYR A 73 13.626 12.245 46.790 1.00 0.00 H ATOM 943 H TYR A 73 15.606 8.097 41.796 1.00 0.00 H ATOM 944 N LYS A 74 13.710 5.266 43.718 1.00 33.20 N ATOM 945 CA LYS A 74 12.293 4.960 43.588 1.00 33.94 C ATOM 946 C LYS A 74 11.578 5.050 44.924 1.00 32.92 C ATOM 947 O LYS A 74 12.171 4.815 45.976 1.00 33.72 O ATOM 948 CB LYS A 74 12.103 3.556 43.004 1.00 35.66 C ATOM 949 CG LYS A 74 12.725 3.364 41.628 1.00 38.13 C ATOM 950 CD LYS A 74 12.078 4.265 40.585 1.00 40.01 C ATOM 951 CE LYS A 74 10.633 3.864 40.314 1.00 40.66 C ATOM 952 NZ LYS A 74 10.534 2.497 39.729 1.00 41.32 N ATOM 953 HA LYS A 74 11.860 5.700 42.915 1.00 0.00 H ATOM 954 HB2 LYS A 74 12.555 2.837 43.687 1.00 0.00 H ATOM 955 HB3 LYS A 74 11.034 3.359 42.927 1.00 0.00 H ATOM 956 HG2 LYS A 74 13.788 3.597 41.685 1.00 0.00 H ATOM 957 HG3 LYS A 74 12.598 2.325 41.325 1.00 0.00 H ATOM 958 HD2 LYS A 74 12.098 5.294 40.945 1.00 0.00 H ATOM 959 HD3 LYS A 74 12.645 4.195 39.657 1.00 0.00 H ATOM 960 HE2 LYS A 74 10.194 4.578 39.617 1.00 0.00 H ATOM 961 HE3 LYS A 74 10.079 3.887 41.253 1.00 0.00 H ATOM 962 HZ1 LYS A 74 11.054 2.468 38.829 1.00 0.00 H ATOM 963 HZ2 LYS A 74 10.945 1.808 40.391 1.00 0.00 H ATOM 964 HZ3 LYS A 74 9.534 2.265 39.561 1.00 0.00 H ATOM 965 H LYS A 74 14.305 4.682 44.340 1.00 0.00 H ATOM 966 N TYR A 75 10.298 5.396 44.874 1.00 32.01 N ATOM 967 CA TYR A 75 9.490 5.504 46.078 1.00 31.32 C ATOM 968 C TYR A 75 8.043 5.213 45.714 1.00 31.91 C ATOM 969 O TYR A 75 7.686 5.178 44.538 1.00 32.13 O ATOM 970 CB TYR A 75 9.622 6.905 46.690 1.00 29.94 C ATOM 971 CG TYR A 75 8.833 7.992 45.992 1.00 28.32 C ATOM 972 CD1 TYR A 75 7.494 8.227 46.312 1.00 27.44 C ATOM 973 CD2 TYR A 75 9.428 8.798 45.023 1.00 28.42 C ATOM 974 CE1 TYR A 75 6.771 9.242 45.688 1.00 27.49 C ATOM 975 CE2 TYR A 75 8.714 9.813 44.391 1.00 27.61 C ATOM 976 CZ TYR A 75 7.388 10.030 44.731 1.00 27.19 C ATOM 977 OH TYR A 75 6.688 11.045 44.126 1.00 28.81 O ATOM 978 HA TYR A 75 9.835 4.785 46.821 1.00 0.00 H ATOM 979 HB3 TYR A 75 10.675 7.185 46.667 1.00 0.00 H ATOM 980 HB2 TYR A 75 9.283 6.854 47.725 1.00 0.00 H ATOM 981 HD2 TYR A 75 10.471 8.631 44.755 1.00 0.00 H ATOM 982 HE2 TYR A 75 9.195 10.433 43.634 1.00 0.00 H ATOM 983 HE1 TYR A 75 5.727 9.414 45.951 1.00 0.00 H ATOM 984 HD1 TYR A 75 7.006 7.606 47.063 1.00 0.00 H ATOM 985 HH TYR A 75 5.763 11.063 44.479 1.00 0.00 H ATOM 986 H TYR A 75 9.862 5.595 43.951 1.00 0.00 H ATOM 987 N LYS A 76 7.213 4.994 46.724 1.00 32.67 N ATOM 988 CA LYS A 76 5.809 4.701 46.485 1.00 33.39 C ATOM 989 C LYS A 76 4.946 5.392 47.524 1.00 33.81 C ATOM 990 O LYS A 76 5.458 5.992 48.470 1.00 33.57 O ATOM 991 CB LYS A 76 5.574 3.189 46.534 1.00 34.24 C ATOM 992 CG LYS A 76 6.029 2.533 47.825 1.00 34.68 C ATOM 993 CD LYS A 76 5.797 1.030 47.793 1.00 35.76 C ATOM 994 CE LYS A 76 6.326 0.364 49.053 1.00 36.14 C ATOM 995 NZ LYS A 76 5.673 0.903 50.275 1.00 37.21 N ATOM 996 HA LYS A 76 5.536 5.072 45.497 1.00 0.00 H ATOM 997 HB2 LYS A 76 4.507 3.004 46.413 1.00 0.00 H ATOM 998 HB3 LYS A 76 6.117 2.731 45.707 1.00 0.00 H ATOM 999 HG2 LYS A 76 7.093 2.725 47.966 1.00 0.00 H ATOM 1000 HG3 LYS A 76 5.470 2.961 48.657 1.00 0.00 H ATOM 1001 HD2 LYS A 76 4.727 0.837 47.711 1.00 0.00 H ATOM 1002 HD3 LYS A 76 6.308 0.610 46.927 1.00 0.00 H ATOM 1003 HE2 LYS A 76 7.400 0.537 49.120 1.00 0.00 H ATOM 1004 HE3 LYS A 76 6.135 -0.708 48.993 1.00 0.00 H ATOM 1005 HZ1 LYS A 76 5.856 1.925 50.342 1.00 0.00 H ATOM 1006 HZ2 LYS A 76 4.648 0.736 50.221 1.00 0.00 H ATOM 1007 HZ3 LYS A 76 6.060 0.424 51.113 1.00 0.00 H ATOM 1008 H LYS A 76 7.571 5.032 47.700 1.00 0.00 H ATOM 1009 N ARG A 77 3.634 5.318 47.339 1.00 33.66 N ATOM 1010 CA ARG A 77 2.708 5.933 48.275 1.00 34.44 C ATOM 1011 C ARG A 77 1.796 4.862 48.858 1.00 34.92 C ATOM 1012 O ARG A 77 1.172 4.098 48.121 1.00 35.15 O ATOM 1013 CB ARG A 77 1.876 7.012 47.570 1.00 33.94 C ATOM 1014 CG ARG A 77 2.705 8.113 46.915 1.00 33.93 C ATOM 1015 CD ARG A 77 1.818 9.246 46.410 1.00 33.28 C ATOM 1016 NE ARG A 77 1.199 9.975 47.513 1.00 32.73 N ATOM 1017 CZ ARG A 77 1.734 11.038 48.107 1.00 32.32 C ATOM 1018 NH1 ARG A 77 2.906 11.515 47.703 1.00 31.52 N ATOM 1019 NH2 ARG A 77 1.104 11.617 49.119 1.00 30.78 N ATOM 1020 HA ARG A 77 3.271 6.406 49.080 1.00 0.00 H ATOM 1021 HB2 ARG A 77 1.275 6.531 46.798 1.00 0.00 H ATOM 1022 HB3 ARG A 77 1.218 7.472 48.307 1.00 0.00 H ATOM 1023 HG2 ARG A 77 3.409 8.511 47.646 1.00 0.00 H ATOM 1024 HG3 ARG A 77 3.256 7.691 46.075 1.00 0.00 H ATOM 1025 HD2 ARG A 77 1.035 8.828 45.778 1.00 0.00 H ATOM 1026 HD3 ARG A 77 2.425 9.937 45.825 1.00 0.00 H ATOM 1027 HE ARG A 77 0.277 9.640 47.858 1.00 0.00 H ATOM 1028 HH12 ARG A 77 3.319 12.347 48.172 1.00 0.00 H ATOM 1029 HH11 ARG A 77 3.411 11.057 46.918 1.00 0.00 H ATOM 1030 HH22 ARG A 77 1.521 12.448 49.584 1.00 0.00 H ATOM 1031 HH21 ARG A 77 0.192 11.240 49.448 1.00 0.00 H ATOM 1032 H ARG A 77 3.262 4.811 46.510 1.00 0.00 H ATOM 1033 N VAL A 78 1.736 4.804 50.183 1.00 35.83 N ATOM 1034 CA VAL A 78 0.908 3.830 50.884 1.00 36.36 C ATOM 1035 C VAL A 78 0.042 4.564 51.897 1.00 37.36 C ATOM 1036 O VAL A 78 0.538 5.407 52.645 1.00 37.35 O ATOM 1037 CB VAL A 78 1.777 2.794 51.632 1.00 36.72 C ATOM 1038 CG1 VAL A 78 0.890 1.772 52.326 1.00 36.58 C ATOM 1039 CG2 VAL A 78 2.725 2.112 50.659 1.00 36.82 C ATOM 1040 HA VAL A 78 0.294 3.305 50.152 1.00 0.00 H ATOM 1041 HB VAL A 78 2.370 3.305 52.390 1.00 0.00 H ATOM 1042 HG11 VAL A 78 0.243 2.280 53.041 1.00 0.00 H ATOM 1043 HG12 VAL A 78 0.280 1.258 51.583 1.00 0.00 H ATOM 1044 HG13 VAL A 78 1.514 1.047 52.850 1.00 0.00 H ATOM 1045 HG21 VAL A 78 2.147 1.605 49.886 1.00 0.00 H ATOM 1046 HG22 VAL A 78 3.372 2.859 50.200 1.00 0.00 H ATOM 1047 HG23 VAL A 78 3.333 1.384 51.196 1.00 0.00 H ATOM 1048 H VAL A 78 2.300 5.477 50.741 1.00 0.00 H ATOM 1049 N ASN A 79 -1.249 4.244 51.923 1.00 37.86 N ATOM 1050 CA ASN A 79 -2.171 4.895 52.846 1.00 38.32 C ATOM 1051 C ASN A 79 -2.129 6.413 52.691 1.00 37.46 C ATOM 1052 O ASN A 79 -2.309 7.152 53.660 1.00 37.60 O ATOM 1053 CB ASN A 79 -1.835 4.518 54.291 1.00 40.04 C ATOM 1054 CG ASN A 79 -2.340 3.140 54.668 1.00 42.25 C ATOM 1055 OD1 ASN A 79 -1.986 2.139 54.042 1.00 43.48 O ATOM 1056 ND2 ASN A 79 -3.173 3.081 55.701 1.00 43.18 N ATOM 1057 HA ASN A 79 -3.177 4.550 52.606 1.00 0.00 H ATOM 1058 HB2 ASN A 79 -0.752 4.539 54.414 1.00 0.00 H ATOM 1059 HB3 ASN A 79 -2.290 5.251 54.958 1.00 0.00 H ATOM 1060 HD22 ASN A 79 -3.445 3.952 56.200 1.00 0.00 H ATOM 1061 HD21 ASN A 79 -3.553 2.164 56.011 1.00 0.00 H ATOM 1062 H ASN A 79 -1.607 3.516 51.273 1.00 0.00 H ATOM 1063 N GLY A 80 -1.879 6.868 51.467 1.00 36.64 N ATOM 1064 CA GLY A 80 -1.832 8.295 51.194 1.00 35.45 C ATOM 1065 C GLY A 80 -0.549 9.017 51.574 1.00 34.81 C ATOM 1066 O GLY A 80 -0.488 10.244 51.489 1.00 34.67 O ATOM 1067 HA3 GLY A 80 -2.650 8.764 51.740 1.00 0.00 H ATOM 1068 HA2 GLY A 80 -1.985 8.433 50.124 1.00 0.00 H ATOM 1069 H GLY A 80 -1.715 6.193 50.693 1.00 0.00 H ATOM 1070 N ALA A 81 0.478 8.277 51.983 1.00 33.71 N ATOM 1071 CA ALA A 81 1.742 8.900 52.374 1.00 32.76 C ATOM 1072 C ALA A 81 2.942 8.333 51.624 1.00 32.73 C ATOM 1073 O ALA A 81 2.935 7.182 51.185 1.00 32.42 O ATOM 1074 CB ALA A 81 1.954 8.753 53.876 1.00 32.79 C ATOM 1075 HA ALA A 81 1.669 9.954 52.107 1.00 0.00 H ATOM 1076 HB1 ALA A 81 1.135 9.239 54.406 1.00 0.00 H ATOM 1077 HB2 ALA A 81 1.980 7.695 54.136 1.00 0.00 H ATOM 1078 HB3 ALA A 81 2.898 9.220 54.156 1.00 0.00 H ATOM 1079 H ALA A 81 0.381 7.242 52.025 1.00 0.00 H ATOM 1080 N ILE A 82 3.975 9.158 51.486 1.00 31.12 N ATOM 1081 CA ILE A 82 5.196 8.769 50.795 1.00 30.57 C ATOM 1082 C ILE A 82 5.941 7.682 51.560 1.00 30.46 C ATOM 1083 O ILE A 82 6.084 7.748 52.780 1.00 29.73 O ATOM 1084 CB ILE A 82 6.137 9.982 50.622 1.00 29.82 C ATOM 1085 CG1 ILE A 82 5.464 11.032 49.737 1.00 29.15 C ATOM 1086 CG2 ILE A 82 7.463 9.540 50.017 1.00 28.60 C ATOM 1087 CD1 ILE A 82 6.228 12.331 49.649 1.00 28.03 C ATOM 1088 HA ILE A 82 4.903 8.386 49.818 1.00 0.00 H ATOM 1089 HB ILE A 82 6.339 10.422 51.599 1.00 0.00 H ATOM 1090 HG12 ILE A 82 5.364 10.622 48.732 1.00 0.00 H ATOM 1091 HG13 ILE A 82 4.474 11.241 50.143 1.00 0.00 H ATOM 1092 HD11 ILE A 82 6.327 12.761 50.646 1.00 0.00 H ATOM 1093 HD12 ILE A 82 7.218 12.142 49.234 1.00 0.00 H ATOM 1094 HD13 ILE A 82 5.689 13.025 49.004 1.00 0.00 H ATOM 1095 HG21 ILE A 82 7.937 8.812 50.676 1.00 0.00 H ATOM 1096 HG22 ILE A 82 7.283 9.087 49.042 1.00 0.00 H ATOM 1097 HG23 ILE A 82 8.115 10.406 49.901 1.00 0.00 H ATOM 1098 H ILE A 82 3.909 10.116 51.886 1.00 0.00 H ATOM 1099 N VAL A 83 6.412 6.677 50.831 1.00 31.05 N ATOM 1100 CA VAL A 83 7.155 5.585 51.437 1.00 31.73 C ATOM 1101 C VAL A 83 8.407 5.319 50.624 1.00 32.25 C ATOM 1102 O VAL A 83 8.337 4.856 49.484 1.00 32.27 O ATOM 1103 CB VAL A 83 6.320 4.289 51.500 1.00 32.37 C ATOM 1104 CG1 VAL A 83 7.165 3.157 52.075 1.00 32.73 C ATOM 1105 CG2 VAL A 83 5.084 4.511 52.356 1.00 31.90 C ATOM 1106 HA VAL A 83 7.408 5.880 52.455 1.00 0.00 H ATOM 1107 HB VAL A 83 6.004 4.016 50.493 1.00 0.00 H ATOM 1108 HG11 VAL A 83 8.035 2.995 51.438 1.00 0.00 H ATOM 1109 HG12 VAL A 83 7.493 3.424 53.080 1.00 0.00 H ATOM 1110 HG13 VAL A 83 6.569 2.245 52.116 1.00 0.00 H ATOM 1111 HG21 VAL A 83 5.388 4.793 53.364 1.00 0.00 H ATOM 1112 HG22 VAL A 83 4.480 5.307 51.921 1.00 0.00 H ATOM 1113 HG23 VAL A 83 4.501 3.591 52.395 1.00 0.00 H ATOM 1114 H VAL A 83 6.246 6.671 49.804 1.00 0.00 H ATOM 1115 N CYS A 84 9.558 5.630 51.206 1.00 32.60 N ATOM 1116 CA CYS A 84 10.814 5.407 50.519 1.00 33.39 C ATOM 1117 C CYS A 84 11.089 3.912 50.509 1.00 36.23 C ATOM 1118 O CYS A 84 11.288 3.295 51.555 1.00 36.74 O ATOM 1119 CB CYS A 84 11.939 6.179 51.208 1.00 30.23 C ATOM 1120 SG CYS A 84 11.783 7.983 50.981 1.00 25.73 S ATOM 1121 HA CYS A 84 10.758 5.770 49.493 1.00 0.00 H ATOM 1122 HB2 CYS A 84 12.893 5.854 50.792 1.00 0.00 H ATOM 1123 HB3 CYS A 84 11.915 5.956 52.275 1.00 0.00 H ATOM 1124 H CYS A 84 9.559 6.037 52.163 1.00 0.00 H ATOM 1125 N GLU A 85 11.077 3.334 49.313 1.00 39.06 N ATOM 1126 CA GLU A 85 11.300 1.904 49.149 1.00 41.77 C ATOM 1127 C GLU A 85 12.744 1.493 49.396 1.00 42.47 C ATOM 1128 O GLU A 85 13.658 2.318 49.355 1.00 42.75 O ATOM 1129 CB GLU A 85 10.858 1.469 47.749 1.00 43.46 C ATOM 1130 CG GLU A 85 9.374 1.688 47.489 1.00 46.34 C ATOM 1131 CD GLU A 85 8.942 1.220 46.113 1.00 47.80 C ATOM 1132 OE1 GLU A 85 9.410 1.802 45.111 1.00 49.31 O ATOM 1133 OE2 GLU A 85 8.136 0.268 46.034 1.00 48.78 O ATOM 1134 HA GLU A 85 10.700 1.398 49.905 1.00 0.00 H ATOM 1135 HB2 GLU A 85 11.426 2.040 47.014 1.00 0.00 H ATOM 1136 HB3 GLU A 85 11.077 0.408 47.631 1.00 0.00 H ATOM 1137 HG2 GLU A 85 8.804 1.139 48.239 1.00 0.00 H ATOM 1138 HG3 GLU A 85 9.158 2.753 47.579 1.00 0.00 H ATOM 1139 H GLU A 85 10.904 3.919 48.471 1.00 0.00 H ATOM 1140 N LYS A 86 12.933 0.205 49.655 1.00 43.21 N ATOM 1141 CA LYS A 86 14.250 -0.353 49.922 1.00 43.51 C ATOM 1142 C LYS A 86 15.137 -0.289 48.682 1.00 43.28 C ATOM 1143 O LYS A 86 14.800 -0.838 47.631 1.00 43.49 O ATOM 1144 CB LYS A 86 14.110 -1.805 50.388 1.00 44.88 C ATOM 1145 CG LYS A 86 15.388 -2.420 50.935 1.00 46.34 C ATOM 1146 CD LYS A 86 15.845 -1.710 52.200 1.00 47.05 C ATOM 1147 CE LYS A 86 17.051 -2.404 52.813 1.00 47.56 C ATOM 1148 NZ LYS A 86 16.746 -3.813 53.192 1.00 47.82 N ATOM 1149 HA LYS A 86 14.721 0.240 50.706 1.00 0.00 H ATOM 1150 HB2 LYS A 86 13.353 -1.839 51.172 1.00 0.00 H ATOM 1151 HB3 LYS A 86 13.780 -2.404 49.540 1.00 0.00 H ATOM 1152 HG2 LYS A 86 15.208 -3.471 51.162 1.00 0.00 H ATOM 1153 HG3 LYS A 86 16.171 -2.342 50.181 1.00 0.00 H ATOM 1154 HD2 LYS A 86 16.112 -0.682 51.955 1.00 0.00 H ATOM 1155 HD3 LYS A 86 15.029 -1.709 52.923 1.00 0.00 H ATOM 1156 HE2 LYS A 86 17.358 -1.857 53.705 1.00 0.00 H ATOM 1157 HE3 LYS A 86 17.866 -2.402 52.089 1.00 0.00 H ATOM 1158 HZ1 LYS A 86 15.974 -3.824 53.888 1.00 0.00 H ATOM 1159 HZ2 LYS A 86 16.459 -4.344 52.345 1.00 0.00 H ATOM 1160 HZ3 LYS A 86 17.594 -4.251 53.606 1.00 0.00 H ATOM 1161 H LYS A 86 12.109 -0.429 49.668 1.00 0.00 H ATOM 1162 N GLY A 88 16.268 0.393 48.818 1.00 42.08 N ATOM 1163 CA GLY A 88 17.208 0.525 47.719 1.00 41.00 C ATOM 1164 C GLY A 88 18.598 0.650 48.306 1.00 39.97 C ATOM 1165 O GLY A 88 18.869 0.084 49.365 1.00 40.47 O ATOM 1166 HA3 GLY A 88 16.972 1.414 47.134 1.00 0.00 H ATOM 1167 HA2 GLY A 88 17.154 -0.355 47.078 1.00 0.00 H ATOM 1168 H GLY A 88 16.485 0.842 49.731 1.00 0.00 H ATOM 1169 N THR A 89 19.485 1.378 47.635 1.00 38.84 N ATOM 1170 CA THR A 89 20.834 1.553 48.158 1.00 37.43 C ATOM 1171 C THR A 89 20.749 2.528 49.325 1.00 35.97 C ATOM 1172 O THR A 89 19.755 3.242 49.476 1.00 35.43 O ATOM 1173 CB THR A 89 21.799 2.130 47.096 1.00 38.02 C ATOM 1174 OG1 THR A 89 21.421 3.475 46.775 1.00 38.32 O ATOM 1175 CG2 THR A 89 21.765 1.284 45.831 1.00 38.07 C ATOM 1176 HA THR A 89 21.223 0.581 48.462 1.00 0.00 H ATOM 1177 HB THR A 89 22.809 2.120 47.505 1.00 0.00 H ATOM 1178 HG1 THR A 89 22.042 3.838 46.095 1.00 0.00 H ATOM 1179 HG23 THR A 89 22.052 0.260 46.072 1.00 0.00 H ATOM 1180 HG21 THR A 89 20.757 1.292 45.417 1.00 0.00 H ATOM 1181 HG22 THR A 89 22.462 1.696 45.101 1.00 0.00 H ATOM 1182 H THR A 89 19.216 1.824 46.735 1.00 0.00 H ATOM 1183 N SER A 90 21.782 2.547 50.158 1.00 34.16 N ATOM 1184 CA SER A 90 21.804 3.446 51.299 1.00 32.00 C ATOM 1185 C SER A 90 21.593 4.880 50.826 1.00 29.82 C ATOM 1186 O SER A 90 20.769 5.605 51.376 1.00 29.05 O ATOM 1187 CB SER A 90 23.138 3.338 52.037 1.00 32.85 C ATOM 1188 OG SER A 90 23.176 4.242 53.124 1.00 32.85 O ATOM 1189 HA SER A 90 21.002 3.166 51.982 1.00 0.00 H ATOM 1190 HB2 SER A 90 23.950 3.571 51.348 1.00 0.00 H ATOM 1191 HB3 SER A 90 23.261 2.321 52.411 1.00 0.00 H ATOM 1192 HG SER A 90 22.441 4.031 53.753 1.00 0.00 H ATOM 1193 H SER A 90 22.587 1.910 49.992 1.00 0.00 H ATOM 1194 N CYS A 91 22.338 5.283 49.802 1.00 28.23 N ATOM 1195 CA CYS A 91 22.216 6.636 49.268 1.00 27.05 C ATOM 1196 C CYS A 91 20.806 6.920 48.776 1.00 26.26 C ATOM 1197 O CYS A 91 20.214 7.936 49.126 1.00 25.19 O ATOM 1198 CB CYS A 91 23.201 6.855 48.119 1.00 26.88 C ATOM 1199 SG CYS A 91 24.892 7.279 48.639 1.00 26.53 S ATOM 1200 HA CYS A 91 22.446 7.322 50.083 1.00 0.00 H ATOM 1201 HB2 CYS A 91 22.823 7.666 47.497 1.00 0.00 H ATOM 1202 HB3 CYS A 91 23.246 5.939 47.530 1.00 0.00 H ATOM 1203 H CYS A 91 23.019 4.624 49.374 1.00 0.00 H ATOM 1204 N GLU A 92 20.272 6.022 47.956 1.00 26.47 N ATOM 1205 CA GLU A 92 18.927 6.194 47.425 1.00 26.67 C ATOM 1206 C GLU A 92 17.905 6.403 48.534 1.00 26.65 C ATOM 1207 O GLU A 92 17.069 7.305 48.461 1.00 26.18 O ATOM 1208 CB GLU A 92 18.539 4.981 46.578 1.00 28.62 C ATOM 1209 CG GLU A 92 19.054 5.043 45.150 1.00 30.55 C ATOM 1210 CD GLU A 92 19.089 3.684 44.485 1.00 32.67 C ATOM 1211 OE1 GLU A 92 18.215 2.847 44.799 1.00 33.21 O ATOM 1212 OE2 GLU A 92 19.986 3.460 43.642 1.00 33.43 O ATOM 1213 HA GLU A 92 18.929 7.088 46.802 1.00 0.00 H ATOM 1214 HB2 GLU A 92 18.944 4.087 47.052 1.00 0.00 H ATOM 1215 HB3 GLU A 92 17.451 4.915 46.549 1.00 0.00 H ATOM 1216 HG2 GLU A 92 18.403 5.698 44.572 1.00 0.00 H ATOM 1217 HG3 GLU A 92 20.064 5.453 45.160 1.00 0.00 H ATOM 1218 H GLU A 92 20.824 5.182 47.689 1.00 0.00 H ATOM 1219 N ASN A 93 17.974 5.568 49.563 1.00 25.84 N ATOM 1220 CA ASN A 93 17.046 5.676 50.677 1.00 25.34 C ATOM 1221 C ASN A 93 17.187 6.996 51.426 1.00 23.49 C ATOM 1222 O ASN A 93 16.191 7.624 51.766 1.00 22.48 O ATOM 1223 CB ASN A 93 17.239 4.504 51.642 1.00 28.92 C ATOM 1224 CG ASN A 93 16.488 3.264 51.205 1.00 31.42 C ATOM 1225 OD1 ASN A 93 15.257 3.243 51.213 1.00 35.74 O ATOM 1226 ND2 ASN A 93 17.220 2.225 50.817 1.00 33.49 N ATOM 1227 HA ASN A 93 16.040 5.646 50.259 1.00 0.00 H ATOM 1228 HB2 ASN A 93 18.302 4.268 51.698 1.00 0.00 H ATOM 1229 HB3 ASN A 93 16.882 4.800 52.628 1.00 0.00 H ATOM 1230 HD22 ASN A 93 18.258 2.288 50.827 1.00 0.00 H ATOM 1231 HD21 ASN A 93 16.755 1.349 50.504 1.00 0.00 H ATOM 1232 H ASN A 93 18.702 4.826 49.573 1.00 0.00 H ATOM 1233 N ARG A 94 18.419 7.423 51.674 1.00 21.62 N ATOM 1234 CA ARG A 94 18.633 8.674 52.398 1.00 21.36 C ATOM 1235 C ARG A 94 18.209 9.902 51.599 1.00 20.13 C ATOM 1236 O ARG A 94 17.605 10.827 52.143 1.00 18.43 O ATOM 1237 CB ARG A 94 20.101 8.794 52.815 1.00 21.63 C ATOM 1238 CG ARG A 94 20.475 7.888 53.984 1.00 22.71 C ATOM 1239 CD ARG A 94 21.962 7.983 54.288 1.00 23.14 C ATOM 1240 NE ARG A 94 22.754 7.203 53.342 1.00 23.13 N ATOM 1241 CZ ARG A 94 23.979 7.532 52.948 1.00 23.60 C ATOM 1242 NH1 ARG A 94 24.627 6.757 52.090 1.00 24.16 N ATOM 1243 NH2 ARG A 94 24.545 8.647 53.392 1.00 23.74 N ATOM 1244 HA ARG A 94 17.999 8.642 53.284 1.00 0.00 H ATOM 1245 HB2 ARG A 94 20.726 8.532 51.961 1.00 0.00 H ATOM 1246 HB3 ARG A 94 20.295 9.827 53.102 1.00 0.00 H ATOM 1247 HG2 ARG A 94 19.910 8.190 54.866 1.00 0.00 H ATOM 1248 HG3 ARG A 94 20.227 6.857 53.731 1.00 0.00 H ATOM 1249 HD2 ARG A 94 22.142 7.607 55.295 1.00 0.00 H ATOM 1250 HD3 ARG A 94 22.269 9.027 54.231 1.00 0.00 H ATOM 1251 HE ARG A 94 22.333 6.336 52.952 1.00 0.00 H ATOM 1252 HH12 ARG A 94 25.586 7.013 51.780 1.00 0.00 H ATOM 1253 HH11 ARG A 94 24.176 5.893 51.727 1.00 0.00 H ATOM 1254 HH22 ARG A 94 25.504 8.902 53.082 1.00 0.00 H ATOM 1255 HH21 ARG A 94 24.029 9.266 54.050 1.00 0.00 H ATOM 1256 H ARG A 94 19.235 6.865 51.352 1.00 0.00 H ATOM 1257 N ILE A 95 18.529 9.915 50.310 1.00 20.31 N ATOM 1258 CA ILE A 95 18.161 11.040 49.454 1.00 20.21 C ATOM 1259 C ILE A 95 16.646 11.153 49.430 1.00 20.22 C ATOM 1260 O ILE A 95 16.082 12.246 49.533 1.00 20.04 O ATOM 1261 CB ILE A 95 18.665 10.827 48.013 1.00 21.05 C ATOM 1262 CG1 ILE A 95 20.193 10.785 48.011 1.00 22.24 C ATOM 1263 CG2 ILE A 95 18.145 11.946 47.103 1.00 21.25 C ATOM 1264 CD1 ILE A 95 20.792 10.353 46.686 1.00 22.71 C ATOM 1265 HA ILE A 95 18.616 11.947 49.851 1.00 0.00 H ATOM 1266 HB ILE A 95 18.289 9.879 47.629 1.00 0.00 H ATOM 1267 HG12 ILE A 95 20.565 11.782 48.248 1.00 0.00 H ATOM 1268 HG13 ILE A 95 20.519 10.085 48.780 1.00 0.00 H ATOM 1269 HD11 ILE A 95 20.440 9.351 46.439 1.00 0.00 H ATOM 1270 HD12 ILE A 95 20.486 11.050 45.906 1.00 0.00 H ATOM 1271 HD13 ILE A 95 21.879 10.348 46.765 1.00 0.00 H ATOM 1272 HG21 ILE A 95 17.055 11.938 47.106 1.00 0.00 H ATOM 1273 HG22 ILE A 95 18.504 12.907 47.470 1.00 0.00 H ATOM 1274 HG23 ILE A 95 18.507 11.785 46.088 1.00 0.00 H ATOM 1275 H ILE A 95 19.050 9.112 49.904 1.00 0.00 H ATOM 1276 N CYS A 96 15.993 10.006 49.295 1.00 20.26 N ATOM 1277 CA CYS A 96 14.541 9.947 49.267 1.00 20.30 C ATOM 1278 C CYS A 96 13.948 10.541 50.545 1.00 19.94 C ATOM 1279 O CYS A 96 13.013 11.341 50.487 1.00 20.20 O ATOM 1280 CB CYS A 96 14.092 8.493 49.097 1.00 22.28 C ATOM 1281 SG CYS A 96 12.288 8.254 49.034 1.00 23.27 S ATOM 1282 HA CYS A 96 14.181 10.537 48.424 1.00 0.00 H ATOM 1283 HB2 CYS A 96 14.482 7.917 49.936 1.00 0.00 H ATOM 1284 HB3 CYS A 96 14.517 8.113 48.168 1.00 0.00 H ATOM 1285 H CYS A 96 16.536 9.123 49.207 1.00 0.00 H ATOM 1286 N GLU A 97 14.499 10.166 51.698 1.00 19.61 N ATOM 1287 CA GLU A 97 13.994 10.684 52.967 1.00 18.49 C ATOM 1288 C GLU A 97 14.194 12.195 53.077 1.00 18.04 C ATOM 1289 O GLU A 97 13.332 12.897 53.603 1.00 17.71 O ATOM 1290 CB GLU A 97 14.666 9.977 54.148 1.00 19.82 C ATOM 1291 CG GLU A 97 14.234 8.524 54.353 1.00 20.15 C ATOM 1292 CD GLU A 97 12.772 8.369 54.750 1.00 21.51 C ATOM 1293 OE1 GLU A 97 12.159 9.348 55.232 1.00 18.76 O ATOM 1294 OE2 GLU A 97 12.237 7.249 54.593 1.00 21.94 O ATOM 1295 HA GLU A 97 12.923 10.482 52.997 1.00 0.00 H ATOM 1296 HB2 GLU A 97 15.744 9.991 53.984 1.00 0.00 H ATOM 1297 HB3 GLU A 97 14.430 10.533 55.056 1.00 0.00 H ATOM 1298 HG2 GLU A 97 14.397 7.982 53.422 1.00 0.00 H ATOM 1299 HG3 GLU A 97 14.852 8.089 55.138 1.00 0.00 H ATOM 1300 H GLU A 97 15.296 9.498 51.695 1.00 0.00 H ATOM 1301 N CYS A 98 15.327 12.699 52.593 1.00 17.58 N ATOM 1302 CA CYS A 98 15.571 14.141 52.639 1.00 16.85 C ATOM 1303 C CYS A 98 14.505 14.834 51.802 1.00 17.57 C ATOM 1304 O CYS A 98 13.946 15.857 52.196 1.00 16.41 O ATOM 1305 CB CYS A 98 16.932 14.495 52.042 1.00 17.36 C ATOM 1306 SG CYS A 98 18.397 14.096 53.042 1.00 19.22 S ATOM 1307 HA CYS A 98 15.545 14.461 53.681 1.00 0.00 H ATOM 1308 HB2 CYS A 98 16.942 15.569 51.857 1.00 0.00 H ATOM 1309 HB3 CYS A 98 17.025 13.964 51.095 1.00 0.00 H ATOM 1310 H CYS A 98 16.041 12.066 52.181 1.00 0.00 H ATOM 1311 N ASP A 99 14.241 14.272 50.628 1.00 17.04 N ATOM 1312 CA ASP A 99 13.250 14.840 49.725 1.00 17.98 C ATOM 1313 C ASP A 99 11.845 14.752 50.305 1.00 18.00 C ATOM 1314 O ASP A 99 11.075 15.709 50.221 1.00 18.23 O ATOM 1315 CB ASP A 99 13.307 14.134 48.368 1.00 16.63 C ATOM 1316 CG ASP A 99 14.560 14.476 47.587 1.00 19.23 C ATOM 1317 OD1 ASP A 99 15.331 15.359 48.034 1.00 18.94 O ATOM 1318 OD2 ASP A 99 14.777 13.868 46.515 1.00 19.88 O ATOM 1319 HA ASP A 99 13.488 15.895 49.592 1.00 0.00 H ATOM 1320 HB2 ASP A 99 13.281 13.057 48.533 1.00 0.00 H ATOM 1321 HB3 ASP A 99 12.438 14.432 47.782 1.00 0.00 H ATOM 1322 H ASP A 99 14.752 13.410 50.348 1.00 0.00 H ATOM 1323 N LYS A 100 11.513 13.605 50.892 1.00 18.76 N ATOM 1324 CA LYS A 100 10.196 13.407 51.498 1.00 18.37 C ATOM 1325 C LYS A 100 9.924 14.435 52.598 1.00 18.34 C ATOM 1326 O LYS A 100 8.858 15.056 52.637 1.00 17.66 O ATOM 1327 CB LYS A 100 10.099 12.002 52.094 1.00 19.23 C ATOM 1328 CG LYS A 100 8.888 11.790 52.996 1.00 19.05 C ATOM 1329 CD LYS A 100 8.908 10.400 53.627 1.00 20.39 C ATOM 1330 CE LYS A 100 7.720 10.197 54.554 1.00 19.22 C ATOM 1331 NZ LYS A 100 7.700 8.818 55.138 1.00 20.86 N ATOM 1332 HA LYS A 100 9.451 13.533 50.713 1.00 0.00 H ATOM 1333 HB2 LYS A 100 10.045 11.285 51.275 1.00 0.00 H ATOM 1334 HB3 LYS A 100 10.999 11.816 52.680 1.00 0.00 H ATOM 1335 HG2 LYS A 100 8.897 12.540 53.787 1.00 0.00 H ATOM 1336 HG3 LYS A 100 7.979 11.899 52.404 1.00 0.00 H ATOM 1337 HD2 LYS A 100 8.874 9.650 52.836 1.00 0.00 H ATOM 1338 HD3 LYS A 100 9.829 10.282 54.198 1.00 0.00 H ATOM 1339 HE2 LYS A 100 6.801 10.355 53.990 1.00 0.00 H ATOM 1340 HE3 LYS A 100 7.777 10.923 55.365 1.00 0.00 H ATOM 1341 HZ1 LYS A 100 7.640 8.119 54.371 1.00 0.00 H ATOM 1342 HZ2 LYS A 100 8.571 8.661 55.684 1.00 0.00 H ATOM 1343 HZ3 LYS A 100 6.875 8.720 55.764 1.00 0.00 H ATOM 1344 H LYS A 100 12.206 12.830 50.921 1.00 0.00 H ATOM 1345 N ALA A 101 10.892 14.608 53.492 1.00 17.58 N ATOM 1346 CA ALA A 101 10.743 15.552 54.592 1.00 17.08 C ATOM 1347 C ALA A 101 10.493 16.970 54.078 1.00 17.19 C ATOM 1348 O ALA A 101 9.681 17.709 54.634 1.00 16.69 O ATOM 1349 CB ALA A 101 11.991 15.524 55.482 1.00 17.94 C ATOM 1350 HA ALA A 101 9.876 15.251 55.180 1.00 0.00 H ATOM 1351 HB1 ALA A 101 12.125 14.521 55.886 1.00 0.00 H ATOM 1352 HB2 ALA A 101 12.864 15.798 54.890 1.00 0.00 H ATOM 1353 HB3 ALA A 101 11.868 16.233 56.300 1.00 0.00 H ATOM 1354 H ALA A 101 11.772 14.060 53.405 1.00 0.00 H ATOM 1355 N ALA A 102 11.191 17.343 53.013 1.00 16.30 N ATOM 1356 CA ALA A 102 11.045 18.672 52.433 1.00 16.80 C ATOM 1357 C ALA A 102 9.697 18.868 51.745 1.00 16.96 C ATOM 1358 O ALA A 102 9.058 19.911 51.906 1.00 17.23 O ATOM 1359 CB ALA A 102 12.173 18.930 51.445 1.00 16.14 C ATOM 1360 HA ALA A 102 11.094 19.389 53.253 1.00 0.00 H ATOM 1361 HB1 ALA A 102 13.130 18.865 51.963 1.00 0.00 H ATOM 1362 HB2 ALA A 102 12.137 18.184 50.651 1.00 0.00 H ATOM 1363 HB3 ALA A 102 12.057 19.925 51.015 1.00 0.00 H ATOM 1364 H ALA A 102 11.858 16.671 52.582 1.00 0.00 H ATOM 1365 N ALA A 103 9.272 17.875 50.968 1.00 17.33 N ATOM 1366 CA ALA A 103 7.999 17.971 50.262 1.00 17.86 C ATOM 1367 C ALA A 103 6.875 18.122 51.274 1.00 18.07 C ATOM 1368 O ALA A 103 5.969 18.939 51.103 1.00 17.78 O ATOM 1369 CB ALA A 103 7.774 16.729 49.399 1.00 18.19 C ATOM 1370 HA ALA A 103 8.015 18.842 49.607 1.00 0.00 H ATOM 1371 HB1 ALA A 103 8.580 16.644 48.670 1.00 0.00 H ATOM 1372 HB2 ALA A 103 7.763 15.844 50.035 1.00 0.00 H ATOM 1373 HB3 ALA A 103 6.820 16.817 48.879 1.00 0.00 H ATOM 1374 H ALA A 103 9.854 17.020 50.863 1.00 0.00 H ATOM 1375 N ILE A 104 6.940 17.331 52.337 1.00 17.85 N ATOM 1376 CA ILE A 104 5.926 17.397 53.374 1.00 18.66 C ATOM 1377 C ILE A 104 6.011 18.744 54.085 1.00 18.52 C ATOM 1378 O ILE A 104 4.988 19.347 54.413 1.00 20.46 O ATOM 1379 CB ILE A 104 6.101 16.231 54.373 1.00 18.11 C ATOM 1380 CG1 ILE A 104 5.736 14.920 53.669 1.00 19.20 C ATOM 1381 CG2 ILE A 104 5.227 16.448 55.606 1.00 19.39 C ATOM 1382 CD1 ILE A 104 5.946 13.677 54.504 1.00 18.74 C ATOM 1383 HA ILE A 104 4.939 17.303 52.921 1.00 0.00 H ATOM 1384 HB ILE A 104 7.137 16.185 54.708 1.00 0.00 H ATOM 1385 HG12 ILE A 104 4.684 14.967 53.387 1.00 0.00 H ATOM 1386 HG13 ILE A 104 6.348 14.834 52.771 1.00 0.00 H ATOM 1387 HD11 ILE A 104 6.996 13.603 54.786 1.00 0.00 H ATOM 1388 HD12 ILE A 104 5.331 13.736 55.402 1.00 0.00 H ATOM 1389 HD13 ILE A 104 5.661 12.799 53.924 1.00 0.00 H ATOM 1390 HG21 ILE A 104 5.514 17.379 56.094 1.00 0.00 H ATOM 1391 HG22 ILE A 104 4.181 16.502 55.304 1.00 0.00 H ATOM 1392 HG23 ILE A 104 5.364 15.617 56.298 1.00 0.00 H ATOM 1393 H ILE A 104 7.726 16.656 52.429 1.00 0.00 H ATOM 1394 N CYS A 105 7.232 19.221 54.314 1.00 19.04 N ATOM 1395 CA CYS A 105 7.432 20.515 54.962 1.00 18.02 C ATOM 1396 C CYS A 105 6.769 21.614 54.124 1.00 18.33 C ATOM 1397 O CYS A 105 6.093 22.488 54.665 1.00 18.59 O ATOM 1398 CB CYS A 105 8.926 20.791 55.110 1.00 19.34 C ATOM 1399 SG CYS A 105 9.404 22.299 56.018 1.00 20.25 S ATOM 1400 HA CYS A 105 6.978 20.502 55.953 1.00 0.00 H ATOM 1401 HB2 CYS A 105 9.348 20.863 54.108 1.00 0.00 H ATOM 1402 HB3 CYS A 105 9.368 19.940 55.629 1.00 0.00 H ATOM 1403 H CYS A 105 8.060 18.662 54.026 1.00 0.00 H ATOM 1404 N PHE A 106 6.955 21.570 52.806 1.00 17.57 N ATOM 1405 CA PHE A 106 6.331 22.573 51.938 1.00 18.68 C ATOM 1406 C PHE A 106 4.812 22.550 52.129 1.00 18.73 C ATOM 1407 O PHE A 106 4.175 23.591 52.306 1.00 18.98 O ATOM 1408 CB PHE A 106 6.611 22.301 50.452 1.00 16.96 C ATOM 1409 CG PHE A 106 8.039 22.518 50.032 1.00 19.14 C ATOM 1410 CD1 PHE A 106 8.830 23.489 50.642 1.00 18.33 C ATOM 1411 CD2 PHE A 106 8.575 21.781 48.978 1.00 19.09 C ATOM 1412 CE1 PHE A 106 10.141 23.724 50.205 1.00 20.98 C ATOM 1413 CE2 PHE A 106 9.881 22.007 48.531 1.00 20.82 C ATOM 1414 CZ PHE A 106 10.665 22.983 49.148 1.00 20.55 C ATOM 1415 HA PHE A 106 6.754 23.539 52.214 1.00 0.00 H ATOM 1416 HB2 PHE A 106 6.348 21.264 50.241 1.00 0.00 H ATOM 1417 HB3 PHE A 106 5.978 22.963 49.860 1.00 0.00 H ATOM 1418 HD2 PHE A 106 7.967 21.016 48.494 1.00 0.00 H ATOM 1419 HE2 PHE A 106 10.285 21.423 47.704 1.00 0.00 H ATOM 1420 HZ PHE A 106 11.683 23.165 48.804 1.00 0.00 H ATOM 1421 HE1 PHE A 106 10.750 24.486 50.692 1.00 0.00 H ATOM 1422 HD1 PHE A 106 8.425 24.073 51.469 1.00 0.00 H ATOM 1423 H PHE A 106 7.545 20.821 52.391 1.00 0.00 H ATOM 1424 N ARG A 107 4.243 21.352 52.075 1.00 20.67 N ATOM 1425 CA ARG A 107 2.806 21.173 52.222 1.00 22.72 C ATOM 1426 C ARG A 107 2.273 21.704 53.550 1.00 22.88 C ATOM 1427 O ARG A 107 1.264 22.412 53.581 1.00 23.99 O ATOM 1428 CB ARG A 107 2.442 19.687 52.074 1.00 24.07 C ATOM 1429 CG ARG A 107 0.969 19.386 52.318 1.00 27.79 C ATOM 1430 CD ARG A 107 0.618 17.939 51.992 1.00 26.56 C ATOM 1431 NE ARG A 107 1.283 16.966 52.855 1.00 27.03 N ATOM 1432 CZ ARG A 107 1.112 16.889 54.171 1.00 27.53 C ATOM 1433 NH1 ARG A 107 1.755 15.964 54.870 1.00 27.36 N ATOM 1434 NH2 ARG A 107 0.305 17.741 54.792 1.00 28.70 N ATOM 1435 HA ARG A 107 2.334 21.756 51.431 1.00 0.00 H ATOM 1436 HB2 ARG A 107 2.694 19.371 51.062 1.00 0.00 H ATOM 1437 HB3 ARG A 107 3.033 19.116 52.790 1.00 0.00 H ATOM 1438 HG2 ARG A 107 0.740 19.576 53.367 1.00 0.00 H ATOM 1439 HG3 ARG A 107 0.367 20.044 51.691 1.00 0.00 H ATOM 1440 HD2 ARG A 107 0.906 17.738 50.960 1.00 0.00 H ATOM 1441 HD3 ARG A 107 -0.460 17.814 52.098 1.00 0.00 H ATOM 1442 HE ARG A 107 1.934 16.288 52.410 1.00 0.00 H ATOM 1443 HH12 ARG A 107 1.621 15.904 55.900 1.00 0.00 H ATOM 1444 HH11 ARG A 107 2.393 15.299 54.389 1.00 0.00 H ATOM 1445 HH22 ARG A 107 0.174 17.677 55.822 1.00 0.00 H ATOM 1446 HH21 ARG A 107 -0.196 18.472 54.249 1.00 0.00 H ATOM 1447 H ARG A 107 4.842 20.516 51.923 1.00 0.00 H ATOM 1448 N GLN A 108 2.950 21.364 54.642 1.00 22.63 N ATOM 1449 CA GLN A 108 2.533 21.802 55.967 1.00 23.66 C ATOM 1450 C GLN A 108 2.569 23.317 56.116 1.00 23.93 C ATOM 1451 O GLN A 108 1.857 23.880 56.952 1.00 23.20 O ATOM 1452 CB GLN A 108 3.427 21.173 57.039 1.00 25.01 C ATOM 1453 CG GLN A 108 3.486 19.649 57.002 1.00 26.24 C ATOM 1454 CD GLN A 108 4.480 19.095 57.999 1.00 26.90 C ATOM 1455 OE1 GLN A 108 5.593 19.606 58.129 1.00 27.82 O ATOM 1456 NE2 GLN A 108 4.088 18.041 58.705 1.00 29.31 N ATOM 1457 HA GLN A 108 1.501 21.475 56.096 1.00 0.00 H ATOM 1458 HB2 GLN A 108 4.439 21.556 56.906 1.00 0.00 H ATOM 1459 HB3 GLN A 108 3.051 21.475 58.016 1.00 0.00 H ATOM 1460 HG2 GLN A 108 2.497 19.253 57.233 1.00 0.00 H ATOM 1461 HG3 GLN A 108 3.778 19.332 56.001 1.00 0.00 H ATOM 1462 HE22 GLN A 108 3.138 17.643 58.561 1.00 0.00 H ATOM 1463 HE21 GLN A 108 4.731 17.613 59.402 1.00 0.00 H ATOM 1464 H GLN A 108 3.799 20.770 54.548 1.00 0.00 H ATOM 1465 N ASN A 109 3.386 23.973 55.295 1.00 23.87 N ATOM 1466 CA ASN A 109 3.533 25.424 55.357 1.00 23.65 C ATOM 1467 C ASN A 109 2.934 26.223 54.196 1.00 24.29 C ATOM 1468 O ASN A 109 3.226 27.408 54.047 1.00 24.09 O ATOM 1469 CB ASN A 109 5.017 25.772 55.509 1.00 23.26 C ATOM 1470 CG ASN A 109 5.576 25.347 56.858 1.00 23.27 C ATOM 1471 OD1 ASN A 109 5.204 25.900 57.890 1.00 22.96 O ATOM 1472 ND2 ASN A 109 6.464 24.356 56.856 1.00 23.11 N ATOM 1473 HA ASN A 109 2.944 25.727 56.223 1.00 0.00 H ATOM 1474 HB2 ASN A 109 5.578 25.267 54.722 1.00 0.00 H ATOM 1475 HB3 ASN A 109 5.137 26.850 55.404 1.00 0.00 H ATOM 1476 HD22 ASN A 109 6.751 23.916 55.958 1.00 0.00 H ATOM 1477 HD21 ASN A 109 6.872 24.021 57.752 1.00 0.00 H ATOM 1478 H ASN A 109 3.934 23.438 54.591 1.00 0.00 H ATOM 1479 N LEU A 110 2.096 25.590 53.381 1.00 24.38 N ATOM 1480 CA LEU A 110 1.481 26.287 52.256 1.00 24.87 C ATOM 1481 C LEU A 110 0.695 27.509 52.713 1.00 25.49 C ATOM 1482 O LEU A 110 0.523 28.468 51.961 1.00 24.55 O ATOM 1483 CB LEU A 110 0.567 25.336 51.475 1.00 26.02 C ATOM 1484 CG LEU A 110 1.281 24.563 50.364 1.00 27.15 C ATOM 1485 CD1 LEU A 110 0.379 23.477 49.813 1.00 27.88 C ATOM 1486 CD2 LEU A 110 1.685 25.534 49.268 1.00 27.06 C ATOM 1487 HA LEU A 110 2.284 26.631 51.604 1.00 0.00 H ATOM 1488 HB2 LEU A 110 0.141 24.617 52.175 1.00 0.00 H ATOM 1489 HB3 LEU A 110 -0.235 25.922 51.025 1.00 0.00 H ATOM 1490 HG LEU A 110 2.173 24.083 50.767 1.00 0.00 H ATOM 1491 HD21 LEU A 110 0.795 26.018 48.867 1.00 0.00 H ATOM 1492 HD22 LEU A 110 2.355 26.288 49.681 1.00 0.00 H ATOM 1493 HD23 LEU A 110 2.195 24.990 48.472 1.00 0.00 H ATOM 1494 HD11 LEU A 110 0.114 22.786 50.613 1.00 0.00 H ATOM 1495 HD12 LEU A 110 -0.526 23.929 49.407 1.00 0.00 H ATOM 1496 HD13 LEU A 110 0.903 22.937 49.024 1.00 0.00 H ATOM 1497 H LEU A 110 1.876 24.587 53.547 1.00 0.00 H ATOM 1498 N ASN A 111 0.229 27.459 53.955 1.00 25.03 N ATOM 1499 CA ASN A 111 -0.543 28.533 54.569 1.00 26.40 C ATOM 1500 C ASN A 111 0.224 29.851 54.637 1.00 25.98 C ATOM 1501 O ASN A 111 -0.380 30.914 54.772 1.00 26.37 O ATOM 1502 CB ASN A 111 -0.948 28.098 55.972 1.00 28.90 C ATOM 1503 CG ASN A 111 0.149 27.303 56.656 1.00 30.93 C ATOM 1504 OD1 ASN A 111 1.196 27.844 57.007 1.00 35.48 O ATOM 1505 ND2 ASN A 111 -0.075 26.005 56.823 1.00 33.99 N ATOM 1506 HA ASN A 111 -1.419 28.714 53.946 1.00 0.00 H ATOM 1507 HB2 ASN A 111 -1.165 28.985 56.568 1.00 0.00 H ATOM 1508 HB3 ASN A 111 -1.843 27.479 55.905 1.00 0.00 H ATOM 1509 HD22 ASN A 111 -0.975 25.588 56.511 1.00 0.00 H ATOM 1510 HD21 ASN A 111 0.650 25.405 57.266 1.00 0.00 H ATOM 1511 H ASN A 111 0.425 26.608 54.520 1.00 0.00 H ATOM 1512 N THR A 112 1.551 29.786 54.567 1.00 25.05 N ATOM 1513 CA THR A 112 2.353 31.004 54.608 1.00 23.89 C ATOM 1514 C THR A 112 3.222 31.170 53.366 1.00 24.00 C ATOM 1515 O THR A 112 4.084 32.041 53.322 1.00 24.12 O ATOM 1516 CB THR A 112 3.254 31.075 55.869 1.00 23.44 C ATOM 1517 OG1 THR A 112 4.094 29.920 55.935 1.00 22.74 O ATOM 1518 CG2 THR A 112 2.400 31.160 57.135 1.00 24.07 C ATOM 1519 HA THR A 112 1.632 31.820 54.644 1.00 0.00 H ATOM 1520 HB THR A 112 3.873 31.970 55.800 1.00 0.00 H ATOM 1521 HG1 THR A 112 4.665 29.882 55.127 1.00 0.00 H ATOM 1522 HG23 THR A 112 1.761 32.041 57.082 1.00 0.00 H ATOM 1523 HG21 THR A 112 1.782 30.266 57.216 1.00 0.00 H ATOM 1524 HG22 THR A 112 3.051 31.233 58.006 1.00 0.00 H ATOM 1525 H THR A 112 2.019 28.861 54.483 1.00 0.00 H ATOM 1526 N TYR A 113 2.999 30.332 52.357 1.00 24.13 N ATOM 1527 CA TYR A 113 3.757 30.453 51.114 1.00 24.29 C ATOM 1528 C TYR A 113 3.403 31.827 50.555 1.00 25.57 C ATOM 1529 O TYR A 113 2.223 32.152 50.385 1.00 24.85 O ATOM 1530 CB TYR A 113 3.354 29.344 50.132 1.00 24.88 C ATOM 1531 CG TYR A 113 4.001 29.444 48.765 1.00 24.41 C ATOM 1532 CD1 TYR A 113 3.534 30.353 47.817 1.00 24.78 C ATOM 1533 CD2 TYR A 113 5.080 28.627 48.419 1.00 23.81 C ATOM 1534 CE1 TYR A 113 4.122 30.448 46.557 1.00 25.48 C ATOM 1535 CE2 TYR A 113 5.678 28.716 47.159 1.00 24.55 C ATOM 1536 CZ TYR A 113 5.193 29.628 46.235 1.00 24.99 C ATOM 1537 OH TYR A 113 5.766 29.724 44.987 1.00 24.67 O ATOM 1538 HA TYR A 113 4.830 30.352 51.278 1.00 0.00 H ATOM 1539 HB3 TYR A 113 2.273 29.383 50.000 1.00 0.00 H ATOM 1540 HB2 TYR A 113 3.631 28.385 50.570 1.00 0.00 H ATOM 1541 HD2 TYR A 113 5.462 27.908 49.144 1.00 0.00 H ATOM 1542 HE2 TYR A 113 6.520 28.072 46.905 1.00 0.00 H ATOM 1543 HE1 TYR A 113 3.742 31.164 45.828 1.00 0.00 H ATOM 1544 HD1 TYR A 113 2.694 31.001 48.066 1.00 0.00 H ATOM 1545 HH TYR A 113 6.721 29.967 45.081 1.00 0.00 H ATOM 1546 H TYR A 113 2.281 29.586 52.454 1.00 0.00 H ATOM 1547 N SER A 114 4.423 32.637 50.284 1.00 25.74 N ATOM 1548 CA SER A 114 4.205 33.985 49.781 1.00 27.25 C ATOM 1549 C SER A 114 4.788 34.211 48.394 1.00 27.30 C ATOM 1550 O SER A 114 5.974 33.991 48.153 1.00 26.93 O ATOM 1551 CB SER A 114 4.793 35.005 50.756 1.00 27.90 C ATOM 1552 OG SER A 114 4.639 36.318 50.253 1.00 32.13 O ATOM 1553 HA SER A 114 3.126 34.115 49.697 1.00 0.00 H ATOM 1554 HB2 SER A 114 5.854 34.797 50.897 1.00 0.00 H ATOM 1555 HB3 SER A 114 4.278 34.925 51.713 1.00 0.00 H ATOM 1556 HG SER A 114 3.676 36.511 50.127 1.00 0.00 H ATOM 1557 H SER A 114 5.395 32.300 50.435 1.00 0.00 H ATOM 1558 N LYS A 115 3.936 34.669 47.489 1.00 27.11 N ATOM 1559 CA LYS A 115 4.334 34.927 46.114 1.00 28.03 C ATOM 1560 C LYS A 115 5.488 35.922 46.005 1.00 27.29 C ATOM 1561 O LYS A 115 6.289 35.848 45.072 1.00 27.23 O ATOM 1562 CB LYS A 115 3.131 35.442 45.318 1.00 30.51 C ATOM 1563 CG LYS A 115 2.010 34.422 45.138 1.00 32.69 C ATOM 1564 CD LYS A 115 1.402 33.947 46.465 1.00 35.56 C ATOM 1565 CE LYS A 115 0.501 34.991 47.129 1.00 36.57 C ATOM 1566 NZ LYS A 115 1.240 36.138 47.719 1.00 37.90 N ATOM 1567 HA LYS A 115 4.688 33.982 45.701 1.00 0.00 H ATOM 1568 HB2 LYS A 115 2.723 36.309 45.838 1.00 0.00 H ATOM 1569 HB3 LYS A 115 3.479 35.744 44.330 1.00 0.00 H ATOM 1570 HG2 LYS A 115 1.221 34.877 44.539 1.00 0.00 H ATOM 1571 HG3 LYS A 115 2.411 33.556 44.611 1.00 0.00 H ATOM 1572 HD2 LYS A 115 0.811 33.052 46.274 1.00 0.00 H ATOM 1573 HD3 LYS A 115 2.214 33.705 47.150 1.00 0.00 H ATOM 1574 HE2 LYS A 115 -0.064 34.502 47.923 1.00 0.00 H ATOM 1575 HE3 LYS A 115 -0.189 35.377 46.378 1.00 0.00 H ATOM 1576 HZ1 LYS A 115 1.895 35.789 48.447 1.00 0.00 H ATOM 1577 HZ2 LYS A 115 1.776 36.624 46.972 1.00 0.00 H ATOM 1578 HZ3 LYS A 115 0.563 36.801 48.149 1.00 0.00 H ATOM 1579 H LYS A 115 2.951 34.850 47.771 1.00 0.00 H ATOM 1580 N LYS A 116 5.583 36.840 46.962 1.00 26.56 N ATOM 1581 CA LYS A 116 6.638 37.848 46.929 1.00 26.19 C ATOM 1582 C LYS A 116 8.048 37.293 47.078 1.00 25.64 C ATOM 1583 O LYS A 116 9.021 37.996 46.812 1.00 25.58 O ATOM 1584 CB LYS A 116 6.402 38.920 47.998 1.00 27.26 C ATOM 1585 CG LYS A 116 6.543 38.450 49.429 1.00 28.57 C ATOM 1586 CD LYS A 116 6.463 39.634 50.387 1.00 31.34 C ATOM 1587 CE LYS A 116 6.555 39.190 51.834 1.00 32.11 C ATOM 1588 NZ LYS A 116 6.560 40.360 52.757 1.00 34.76 N ATOM 1589 HA LYS A 116 6.578 38.282 45.931 1.00 0.00 H ATOM 1590 HB2 LYS A 116 7.121 39.723 47.835 1.00 0.00 H ATOM 1591 HB3 LYS A 116 5.391 39.308 47.869 1.00 0.00 H ATOM 1592 HG2 LYS A 116 5.741 37.748 49.657 1.00 0.00 H ATOM 1593 HG3 LYS A 116 7.505 37.953 49.551 1.00 0.00 H ATOM 1594 HD2 LYS A 116 7.285 40.318 50.174 1.00 0.00 H ATOM 1595 HD3 LYS A 116 5.515 40.149 50.235 1.00 0.00 H ATOM 1596 HE2 LYS A 116 7.475 38.622 51.974 1.00 0.00 H ATOM 1597 HE3 LYS A 116 5.699 38.556 52.067 1.00 0.00 H ATOM 1598 HZ1 LYS A 116 7.378 40.966 52.542 1.00 0.00 H ATOM 1599 HZ2 LYS A 116 5.682 40.903 52.631 1.00 0.00 H ATOM 1600 HZ3 LYS A 116 6.624 40.025 53.739 1.00 0.00 H ATOM 1601 H LYS A 116 4.897 36.840 47.744 1.00 0.00 H ATOM 1602 N TYR A 117 8.167 36.039 47.503 1.00 24.46 N ATOM 1603 CA TYR A 117 9.483 35.435 47.657 1.00 23.40 C ATOM 1604 C TYR A 117 9.899 34.636 46.433 1.00 22.36 C ATOM 1605 O TYR A 117 10.967 34.035 46.409 1.00 21.28 O ATOM 1606 CB TYR A 117 9.532 34.558 48.907 1.00 23.42 C ATOM 1607 CG TYR A 117 9.451 35.370 50.176 1.00 24.88 C ATOM 1608 CD1 TYR A 117 10.280 36.478 50.364 1.00 25.32 C ATOM 1609 CD2 TYR A 117 8.531 35.057 51.174 1.00 25.33 C ATOM 1610 CE1 TYR A 117 10.192 37.257 51.510 1.00 26.50 C ATOM 1611 CE2 TYR A 117 8.436 35.831 52.328 1.00 26.48 C ATOM 1612 CZ TYR A 117 9.269 36.931 52.486 1.00 26.66 C ATOM 1613 OH TYR A 117 9.173 37.713 53.613 1.00 28.20 O ATOM 1614 HA TYR A 117 10.196 36.252 47.768 1.00 0.00 H ATOM 1615 HB3 TYR A 117 10.467 33.998 48.907 1.00 0.00 H ATOM 1616 HB2 TYR A 117 8.694 33.862 48.881 1.00 0.00 H ATOM 1617 HD2 TYR A 117 7.876 34.194 51.050 1.00 0.00 H ATOM 1618 HE2 TYR A 117 7.713 35.575 53.102 1.00 0.00 H ATOM 1619 HE1 TYR A 117 10.846 38.119 51.639 1.00 0.00 H ATOM 1620 HD1 TYR A 117 11.010 36.736 49.597 1.00 0.00 H ATOM 1621 HH TYR A 117 9.354 37.160 54.414 1.00 0.00 H ATOM 1622 H TYR A 117 7.315 35.486 47.727 1.00 0.00 H ATOM 1623 N MET A 118 9.047 34.625 45.416 1.00 21.96 N ATOM 1624 CA MET A 118 9.379 33.930 44.181 1.00 22.36 C ATOM 1625 C MET A 118 10.346 34.825 43.401 1.00 22.44 C ATOM 1626 O MET A 118 10.348 36.048 43.580 1.00 22.40 O ATOM 1627 CB MET A 118 8.111 33.670 43.365 1.00 22.77 C ATOM 1628 CG MET A 118 7.139 32.724 44.052 1.00 23.73 C ATOM 1629 SD MET A 118 5.680 32.425 43.058 1.00 27.20 S ATOM 1630 CE MET A 118 6.367 31.463 41.726 1.00 22.99 C ATOM 1631 HA MET A 118 9.839 32.965 44.391 1.00 0.00 H ATOM 1632 HB2 MET A 118 7.607 34.621 43.195 1.00 0.00 H ATOM 1633 HB3 MET A 118 8.398 33.236 42.407 1.00 0.00 H ATOM 1634 HG2 MET A 118 6.834 33.161 45.003 1.00 0.00 H ATOM 1635 HG3 MET A 118 7.641 31.774 44.235 1.00 0.00 H ATOM 1636 HE1 MET A 118 7.131 32.048 41.213 1.00 0.00 H ATOM 1637 HE2 MET A 118 6.813 30.554 42.129 1.00 0.00 H ATOM 1638 HE3 MET A 118 5.576 31.201 41.023 1.00 0.00 H ATOM 1639 H MET A 118 8.135 35.117 45.502 1.00 0.00 H ATOM 1640 N LEU A 119 11.177 34.220 42.557 1.00 21.60 N ATOM 1641 CA LEU A 119 12.144 34.967 41.756 1.00 22.38 C ATOM 1642 C LEU A 119 12.992 35.850 42.668 1.00 22.58 C ATOM 1643 O LEU A 119 13.315 36.988 42.328 1.00 21.03 O ATOM 1644 CB LEU A 119 11.411 35.836 40.726 1.00 23.84 C ATOM 1645 CG LEU A 119 10.482 35.115 39.739 1.00 25.50 C ATOM 1646 CD1 LEU A 119 9.799 36.135 38.835 1.00 27.00 C ATOM 1647 CD2 LEU A 119 11.276 34.126 38.909 1.00 26.00 C ATOM 1648 HA LEU A 119 12.791 34.265 41.231 1.00 0.00 H ATOM 1649 HB2 LEU A 119 10.809 36.560 41.275 1.00 0.00 H ATOM 1650 HB3 LEU A 119 12.166 36.362 40.142 1.00 0.00 H ATOM 1651 HG LEU A 119 9.720 34.571 40.296 1.00 0.00 H ATOM 1652 HD21 LEU A 119 12.048 34.658 38.353 1.00 0.00 H ATOM 1653 HD22 LEU A 119 11.741 33.392 39.567 1.00 0.00 H ATOM 1654 HD23 LEU A 119 10.608 33.620 38.212 1.00 0.00 H ATOM 1655 HD11 LEU A 119 9.214 36.824 39.444 1.00 0.00 H ATOM 1656 HD12 LEU A 119 10.555 36.690 38.280 1.00 0.00 H ATOM 1657 HD13 LEU A 119 9.141 35.617 38.137 1.00 0.00 H ATOM 1658 H LEU A 119 11.137 33.185 42.464 1.00 0.00 H ATOM 1659 N TYR A 120 13.354 35.312 43.826 1.00 22.25 N ATOM 1660 CA TYR A 120 14.134 36.058 44.806 1.00 22.67 C ATOM 1661 C TYR A 120 15.602 36.162 44.399 1.00 23.00 C ATOM 1662 O TYR A 120 16.268 35.148 44.200 1.00 23.35 O ATOM 1663 CB TYR A 120 14.021 35.377 46.170 1.00 22.10 C ATOM 1664 CG TYR A 120 14.257 36.309 47.328 1.00 22.42 C ATOM 1665 CD1 TYR A 120 13.300 37.260 47.685 1.00 22.39 C ATOM 1666 CD2 TYR A 120 15.440 36.253 48.062 1.00 21.60 C ATOM 1667 CE1 TYR A 120 13.515 38.134 48.746 1.00 23.41 C ATOM 1668 CE2 TYR A 120 15.667 37.124 49.127 1.00 22.17 C ATOM 1669 CZ TYR A 120 14.700 38.060 49.462 1.00 22.74 C ATOM 1670 OH TYR A 120 14.912 38.917 50.516 1.00 23.02 O ATOM 1671 HA TYR A 120 13.733 37.070 44.859 1.00 0.00 H ATOM 1672 HB3 TYR A 120 14.757 34.574 46.217 1.00 0.00 H ATOM 1673 HB2 TYR A 120 13.020 34.956 46.264 1.00 0.00 H ATOM 1674 HD2 TYR A 120 16.200 35.517 47.800 1.00 0.00 H ATOM 1675 HE2 TYR A 120 16.598 37.070 49.692 1.00 0.00 H ATOM 1676 HE1 TYR A 120 12.758 38.871 49.012 1.00 0.00 H ATOM 1677 HD1 TYR A 120 12.368 37.319 47.123 1.00 0.00 H ATOM 1678 HH TYR A 120 14.129 39.514 50.617 1.00 0.00 H ATOM 1679 H TYR A 120 13.074 34.333 44.040 1.00 0.00 H ATOM 1680 N PRO A 121 16.125 37.395 44.268 1.00 23.50 N ATOM 1681 CA PRO A 121 17.525 37.603 43.880 1.00 23.93 C ATOM 1682 C PRO A 121 18.506 37.199 44.976 1.00 24.74 C ATOM 1683 O PRO A 121 18.378 37.613 46.126 1.00 23.14 O ATOM 1684 CB PRO A 121 17.578 39.096 43.562 1.00 23.50 C ATOM 1685 CG PRO A 121 16.570 39.667 44.474 1.00 23.73 C ATOM 1686 CD PRO A 121 15.421 38.684 44.383 1.00 23.41 C ATOM 1687 HA PRO A 121 17.826 36.981 43.037 1.00 0.00 H ATOM 1688 HD3 PRO A 121 14.800 38.717 45.278 1.00 0.00 H ATOM 1689 HD2 PRO A 121 14.803 38.877 43.506 1.00 0.00 H ATOM 1690 HG3 PRO A 121 16.262 40.659 44.144 1.00 0.00 H ATOM 1691 HG2 PRO A 121 16.954 39.727 45.493 1.00 0.00 H ATOM 1692 HB2 PRO A 121 18.567 39.505 43.766 1.00 0.00 H ATOM 1693 HB3 PRO A 121 17.316 39.284 42.521 1.00 0.00 H ATOM 1694 N ASP A 122 19.487 36.391 44.598 1.00 26.45 N ATOM 1695 CA ASP A 122 20.483 35.891 45.531 1.00 28.49 C ATOM 1696 C ASP A 122 21.278 36.976 46.244 1.00 27.84 C ATOM 1697 O ASP A 122 21.729 36.766 47.370 1.00 28.08 O ATOM 1698 CB ASP A 122 21.445 34.945 44.801 1.00 31.77 C ATOM 1699 CG ASP A 122 22.484 34.331 45.727 1.00 35.21 C ATOM 1700 OD1 ASP A 122 23.394 35.058 46.183 1.00 37.97 O ATOM 1701 OD2 ASP A 122 22.387 33.115 46.005 1.00 38.45 O ATOM 1702 HA ASP A 122 19.928 35.365 46.308 1.00 0.00 H ATOM 1703 HB2 ASP A 122 20.866 34.142 44.346 1.00 0.00 H ATOM 1704 HB3 ASP A 122 21.961 35.506 44.022 1.00 0.00 H ATOM 1705 H ASP A 122 19.546 36.105 43.600 1.00 0.00 H ATOM 1706 N PHE A 124 21.450 38.135 45.609 1.00 26.97 N ATOM 1707 CA PHE A 124 22.231 39.189 46.243 1.00 26.24 C ATOM 1708 C PHE A 124 21.609 39.651 47.551 1.00 26.01 C ATOM 1709 O PHE A 124 22.296 40.215 48.400 1.00 25.70 O ATOM 1710 CB PHE A 124 22.452 40.385 45.293 1.00 25.73 C ATOM 1711 CG PHE A 124 21.309 41.362 45.238 1.00 25.13 C ATOM 1712 CD1 PHE A 124 20.265 41.189 44.337 1.00 24.36 C ATOM 1713 CD2 PHE A 124 21.289 42.471 46.080 1.00 25.08 C ATOM 1714 CE1 PHE A 124 19.215 42.109 44.271 1.00 25.04 C ATOM 1715 CE2 PHE A 124 20.248 43.393 46.024 1.00 24.68 C ATOM 1716 CZ PHE A 124 19.207 43.213 45.117 1.00 25.03 C ATOM 1717 HA PHE A 124 23.205 38.757 46.474 1.00 0.00 H ATOM 1718 HB2 PHE A 124 23.342 40.921 45.622 1.00 0.00 H ATOM 1719 HB3 PHE A 124 22.615 39.996 44.288 1.00 0.00 H ATOM 1720 HD2 PHE A 124 22.100 42.619 46.793 1.00 0.00 H ATOM 1721 HE2 PHE A 124 20.248 44.256 46.690 1.00 0.00 H ATOM 1722 HZ PHE A 124 18.390 43.933 45.070 1.00 0.00 H ATOM 1723 HE1 PHE A 124 18.404 41.962 43.558 1.00 0.00 H ATOM 1724 HD1 PHE A 124 20.265 40.324 43.673 1.00 0.00 H ATOM 1725 H PHE A 124 21.031 38.286 44.669 1.00 0.00 H ATOM 1726 N LEU A 125 20.314 39.391 47.724 1.00 24.43 N ATOM 1727 CA LEU A 125 19.620 39.778 48.946 1.00 24.47 C ATOM 1728 C LEU A 125 19.883 38.773 50.058 1.00 26.14 C ATOM 1729 O LEU A 125 19.407 38.942 51.182 1.00 26.96 O ATOM 1730 CB LEU A 125 18.112 39.874 48.704 1.00 23.80 C ATOM 1731 CG LEU A 125 17.626 41.042 47.836 1.00 22.12 C ATOM 1732 CD1 LEU A 125 16.117 40.939 47.664 1.00 21.15 C ATOM 1733 CD2 LEU A 125 17.994 42.374 48.495 1.00 21.71 C ATOM 1734 HA LEU A 125 20.001 40.754 49.247 1.00 0.00 H ATOM 1735 HB2 LEU A 125 17.795 38.949 48.221 1.00 0.00 H ATOM 1736 HB3 LEU A 125 17.626 39.960 49.676 1.00 0.00 H ATOM 1737 HG LEU A 125 18.106 40.997 46.859 1.00 0.00 H ATOM 1738 HD21 LEU A 125 17.522 42.435 49.476 1.00 0.00 H ATOM 1739 HD22 LEU A 125 19.077 42.436 48.607 1.00 0.00 H ATOM 1740 HD23 LEU A 125 17.644 43.196 47.870 1.00 0.00 H ATOM 1741 HD11 LEU A 125 15.871 39.994 47.180 1.00 0.00 H ATOM 1742 HD12 LEU A 125 15.637 40.983 48.642 1.00 0.00 H ATOM 1743 HD13 LEU A 125 15.766 41.767 47.048 1.00 0.00 H ATOM 1744 H LEU A 125 19.788 38.902 46.972 1.00 0.00 H ATOM 1745 N CYS A 126 20.643 37.731 49.735 1.00 26.82 N ATOM 1746 CA CYS A 126 20.966 36.689 50.701 1.00 28.30 C ATOM 1747 C CYS A 126 22.463 36.581 50.936 1.00 31.11 C ATOM 1748 O CYS A 126 23.200 36.091 50.079 1.00 30.89 O ATOM 1749 CB CYS A 126 20.465 35.335 50.209 1.00 26.57 C ATOM 1750 SG CYS A 126 18.726 35.303 49.688 1.00 23.96 S ATOM 1751 HA CYS A 126 20.476 36.963 51.635 1.00 0.00 H ATOM 1752 HB2 CYS A 126 20.589 34.614 51.017 1.00 0.00 H ATOM 1753 HB3 CYS A 126 21.078 35.036 49.359 1.00 0.00 H ATOM 1754 H CYS A 126 21.017 37.658 48.767 1.00 0.00 H ATOM 1755 N LYS A 127 22.908 37.030 52.101 1.00 34.33 N ATOM 1756 CA LYS A 127 24.321 36.956 52.442 1.00 38.08 C ATOM 1757 C LYS A 127 24.450 36.510 53.890 1.00 39.14 C ATOM 1758 O LYS A 127 23.524 36.670 54.687 1.00 39.95 O ATOM 1759 CB LYS A 127 24.999 38.317 52.268 1.00 39.49 C ATOM 1760 CG LYS A 127 24.747 39.286 53.410 1.00 41.94 C ATOM 1761 CD LYS A 127 26.016 39.522 53.448 1.00 43.87 C ATOM 1762 CE LYS A 127 27.223 39.508 53.822 1.00 44.81 C ATOM 1763 NZ LYS A 127 27.148 38.571 54.984 1.00 46.15 N ATOM 1764 HA LYS A 127 24.809 36.244 51.777 1.00 0.00 H ATOM 1765 HB2 LYS A 127 26.074 38.156 52.186 1.00 0.00 H ATOM 1766 HB3 LYS A 127 24.629 38.769 51.348 1.00 0.00 H ATOM 1767 HG2 LYS A 127 24.136 40.148 53.143 1.00 0.00 H ATOM 1768 HG3 LYS A 127 24.347 38.824 54.313 1.00 0.00 H ATOM 1769 HD2 LYS A 127 26.217 39.175 52.435 1.00 0.00 H ATOM 1770 HD3 LYS A 127 25.920 40.608 53.446 1.00 0.00 H ATOM 1771 HE2 LYS A 127 27.560 40.499 54.127 1.00 0.00 H ATOM 1772 HE3 LYS A 127 27.881 39.126 53.041 1.00 0.00 H ATOM 1773 HZ1 LYS A 127 26.496 38.956 55.697 1.00 0.00 H ATOM 1774 HZ2 LYS A 127 26.802 37.645 54.660 1.00 0.00 H ATOM 1775 HZ3 LYS A 127 28.094 38.462 55.401 1.00 0.00 H ATOM 1776 H LYS A 127 22.238 37.441 52.781 1.00 0.00 H ATOM 1777 N GLY A 128 25.602 35.951 54.231 1.00 41.19 N ATOM 1778 CA GLY A 128 25.804 35.502 55.591 1.00 42.86 C ATOM 1779 C GLY A 128 25.753 33.996 55.707 1.00 44.47 C ATOM 1780 O GLY A 128 24.903 33.333 55.112 1.00 44.42 O ATOM 1781 HA3 GLY A 128 25.025 35.930 56.222 1.00 0.00 H ATOM 1782 HA2 GLY A 128 26.779 35.848 55.934 1.00 0.00 H ATOM 1783 H GLY A 128 26.357 35.836 53.525 1.00 0.00 H ATOM 1784 N GLU A 129 26.682 33.459 56.484 1.00 45.93 N ATOM 1785 CA GLU A 129 26.776 32.028 56.706 1.00 46.99 C ATOM 1786 C GLU A 129 25.818 31.590 57.807 1.00 46.84 C ATOM 1787 O GLU A 129 25.851 32.118 58.917 1.00 47.21 O ATOM 1788 CB GLU A 129 28.216 31.662 57.087 1.00 48.39 C ATOM 1789 CG GLU A 129 28.866 32.636 58.071 1.00 49.99 C ATOM 1790 CD GLU A 129 29.212 33.981 57.439 1.00 51.29 C ATOM 1791 OE1 GLU A 129 29.517 34.934 58.188 1.00 52.22 O ATOM 1792 OE2 GLU A 129 29.188 34.085 56.193 1.00 51.93 O ATOM 1793 HA GLU A 129 26.500 31.511 55.787 1.00 0.00 H ATOM 1794 HB2 GLU A 129 28.210 30.670 57.540 1.00 0.00 H ATOM 1795 HB3 GLU A 129 28.817 31.641 56.178 1.00 0.00 H ATOM 1796 HG2 GLU A 129 28.176 32.807 58.897 1.00 0.00 H ATOM 1797 HG3 GLU A 129 29.782 32.185 58.452 1.00 0.00 H ATOM 1798 H GLU A 129 27.368 34.085 56.951 1.00 0.00 H ATOM 1799 N LEU A 130 24.949 30.636 57.488 1.00 46.40 N ATOM 1800 CA LEU A 130 24.003 30.116 58.467 1.00 45.56 C ATOM 1801 C LEU A 130 24.294 28.639 58.677 1.00 45.48 C ATOM 1802 O LEU A 130 24.091 27.822 57.777 1.00 44.77 O ATOM 1803 CB LEU A 130 22.563 30.292 57.989 1.00 45.76 C ATOM 1804 CG LEU A 130 21.519 29.715 58.948 1.00 45.83 C ATOM 1805 CD1 LEU A 130 21.688 30.339 60.327 1.00 45.92 C ATOM 1806 CD2 LEU A 130 20.127 29.973 58.409 1.00 46.00 C ATOM 1807 HA LEU A 130 24.116 30.667 59.401 1.00 0.00 H ATOM 1808 HB2 LEU A 130 22.368 31.358 57.869 1.00 0.00 H ATOM 1809 HB3 LEU A 130 22.457 29.794 57.025 1.00 0.00 H ATOM 1810 HG LEU A 130 21.661 28.638 59.035 1.00 0.00 H ATOM 1811 HD21 LEU A 130 19.971 31.047 58.310 1.00 0.00 H ATOM 1812 HD22 LEU A 130 20.022 29.498 57.434 1.00 0.00 H ATOM 1813 HD23 LEU A 130 19.390 29.559 59.097 1.00 0.00 H ATOM 1814 HD11 LEU A 130 22.687 30.119 60.704 1.00 0.00 H ATOM 1815 HD12 LEU A 130 21.555 31.418 60.255 1.00 0.00 H ATOM 1816 HD13 LEU A 130 20.942 29.925 61.006 1.00 0.00 H ATOM 1817 H LEU A 130 24.944 30.253 56.521 1.00 0.00 H ATOM 1818 N LYS A 131 24.771 28.303 59.870 1.00 44.82 N ATOM 1819 CA LYS A 131 25.112 26.927 60.195 1.00 44.73 C ATOM 1820 C LYS A 131 23.901 26.010 60.306 1.00 43.51 C ATOM 1821 O LYS A 131 22.830 26.414 60.762 1.00 43.88 O ATOM 1822 CB LYS A 131 25.897 26.868 61.507 1.00 45.37 C ATOM 1823 CG LYS A 131 25.069 27.196 62.741 1.00 47.15 C ATOM 1824 CD LYS A 131 25.667 26.547 63.983 1.00 48.49 C ATOM 1825 CE LYS A 131 25.627 25.024 63.877 1.00 49.40 C ATOM 1826 NZ LYS A 131 26.261 24.349 65.046 1.00 50.53 N ATOM 1827 HA LYS A 131 25.719 26.568 59.364 1.00 0.00 H ATOM 1828 HB2 LYS A 131 26.298 25.861 61.621 1.00 0.00 H ATOM 1829 HB3 LYS A 131 26.719 27.581 61.447 1.00 0.00 H ATOM 1830 HG2 LYS A 131 25.045 28.277 62.879 1.00 0.00 H ATOM 1831 HG3 LYS A 131 24.053 26.827 62.599 1.00 0.00 H ATOM 1832 HD2 LYS A 131 26.702 26.870 64.091 1.00 0.00 H ATOM 1833 HD3 LYS A 131 25.097 26.859 64.858 1.00 0.00 H ATOM 1834 HE2 LYS A 131 26.155 24.723 62.972 1.00 0.00 H ATOM 1835 HE3 LYS A 131 24.586 24.706 63.812 1.00 0.00 H ATOM 1836 HZ1 LYS A 131 27.258 24.638 65.113 1.00 0.00 H ATOM 1837 HZ2 LYS A 131 25.760 24.622 65.916 1.00 0.00 H ATOM 1838 HZ3 LYS A 131 26.206 23.318 64.921 1.00 0.00 H ATOM 1839 H LYS A 131 24.904 29.042 60.590 1.00 0.00 H ATOM 1840 N CYS A 133 24.094 24.763 59.893 1.00 42.63 N ATOM 1841 CA CYS A 133 23.047 23.751 59.945 1.00 41.29 C ATOM 1842 C CYS A 133 22.893 23.191 61.356 1.00 41.90 C ATOM 1843 O CYS A 133 21.742 23.069 61.828 1.00 42.74 O ATOM 1844 CB CYS A 133 23.375 22.612 58.981 1.00 37.63 C ATOM 1845 SG CYS A 133 23.140 23.000 57.219 1.00 33.47 S ATOM 1846 HA CYS A 133 22.108 24.222 59.654 1.00 0.00 H ATOM 1847 OXT CYS A 133 23.931 22.864 61.966 1.00 43.47 O ATOM 1848 HB2 CYS A 133 22.735 21.765 59.229 1.00 0.00 H ATOM 1849 HB3 CYS A 133 24.418 22.334 59.129 1.00 0.00 H ATOM 1850 H CYS A 133 25.027 24.499 59.518 1.00 0.00 H TER 1851 CYS A 133 HETATM 1852 O HOH 1 14.758 17.762 54.212 1.00 17.16 O HETATM 1853 O HOH 2 12.467 12.012 55.981 1.00 21.33 O HETATM 1854 O HOH 3 27.865 14.683 57.866 1.00 22.58 O HETATM 1855 O HOH 4 17.774 23.797 42.178 1.00 62.49 O HETATM 1856 O HOH 5 6.308 29.914 54.011 1.00 21.32 O HETATM 1857 O HOH 6 12.390 29.087 38.570 1.00 22.13 O HETATM 1858 O HOH 7 5.092 25.922 50.823 1.00 19.77 O HETATM 1859 O HOH 8 16.216 30.918 45.562 1.00 29.03 O HETATM 1860 O HOH 9 16.928 13.875 44.738 1.00 25.98 O HETATM 1861 O HOH 10 9.941 30.337 43.144 1.00 28.68 O HETATM 1862 O HOH 11 16.446 32.508 43.332 1.00 39.23 O HETATM 1863 O HOH 12 9.695 17.700 57.313 1.00 27.00 O HETATM 1864 O HOH 13 16.630 25.115 40.565 1.00 66.00 O HETATM 1865 O HOH 14 -2.606 2.295 50.029 1.00 47.50 O HETATM 1866 O HOH 15 6.940 19.156 39.902 1.00 22.18 O HETATM 1867 O HOH 16 23.658 20.728 50.326 1.00 30.55 O HETATM 1868 O HOH 17 9.578 6.551 53.808 1.00 26.07 O HETATM 1869 O HOH 18 6.927 31.463 58.064 1.00 37.15 O HETATM 1870 O HOH 19 14.696 41.221 54.167 1.00 35.04 O HETATM 1871 O HOH 20 19.626 25.452 47.959 1.00 29.67 O HETATM 1872 O HOH 21 9.946 8.715 56.746 1.00 24.03 O HETATM 1873 O HOH 22 14.058 32.133 58.967 1.00 33.43 O HETATM 1874 O HOH 23 -1.146 16.948 43.621 1.00 32.42 O HETATM 1875 O HOH 24 3.792 28.069 57.965 1.00 28.34 O HETATM 1876 O HOH 25 21.241 38.416 42.568 1.00 34.46 O HETATM 1877 O HOH 26 3.598 11.741 51.978 1.00 31.21 O HETATM 1878 O HOH 27 18.647 29.414 46.334 1.00 30.90 O HETATM 1879 O HOH 28 17.877 33.823 46.173 1.00 27.67 O HETATM 1880 O HOH 29 2.265 12.864 54.080 1.00 36.64 O HETATM 1881 O HOH 30 9.376 6.093 41.979 1.00 41.98 O HETATM 1882 O HOH 31 24.082 28.909 54.534 1.00 37.46 O HETATM 1883 O HOH 32 10.315 30.797 39.605 1.00 26.85 O HETATM 1884 O HOH 33 8.345 35.330 57.164 1.00 45.34 O HETATM 1885 O HOH 34 24.408 3.788 48.608 1.00 39.78 O HETATM 1886 O HOH 35 17.190 36.906 54.424 1.00 33.12 O HETATM 1887 O HOH 36 2.045 25.069 39.967 1.00 46.01 O HETATM 1888 O HOH 37 15.542 3.351 45.489 1.00 33.78 O HETATM 1889 O HOH 38 3.414 29.324 43.237 1.00 35.52 O HETATM 1890 O HOH 39 29.309 17.510 53.088 1.00 31.13 O HETATM 1891 O HOH 40 19.433 38.391 58.422 1.00 44.73 O HETATM 1892 O HOH 41 24.204 0.400 49.866 1.00 49.11 O HETATM 1893 O HOH 42 13.131 19.949 54.634 1.00 17.69 O HETATM 1894 O HOH 43 5.677 33.999 54.098 1.00 25.75 O HETATM 1895 O HOH 44 -0.121 14.094 51.118 1.00 36.26 O HETATM 1896 O HOH 45 3.606 11.064 56.235 1.00 64.80 O HETATM 1897 O HOH 46 16.945 17.032 43.900 1.00 32.67 O HETATM 1898 O HOH 47 16.913 32.090 40.681 1.00 38.40 O HETATM 1899 O HOH 48 16.331 29.615 39.661 1.00 37.51 O HETATM 1900 O HOH 49 -2.620 17.030 53.322 1.00 46.91 O HETATM 1901 O HOH 50 5.380 36.509 54.267 1.00 49.10 O HETATM 1902 O HOH 51 20.506 32.831 47.997 1.00 44.89 O HETATM 1903 O HOH 52 5.115 29.961 59.798 1.00 39.48 O HETATM 1904 O HOH 53 12.078 19.883 57.004 1.00 31.10 O HETATM 1905 O HOH 54 17.012 27.838 59.687 1.00 36.58 O HETATM 1906 O HOH 55 13.237 24.443 60.335 1.00 29.49 O HETATM 1907 O HOH 56 18.157 41.096 52.662 1.00 34.99 O HETATM 1908 O HOH 57 5.561 33.728 57.042 1.00 32.01 O HETATM 1909 O HOH 58 6.893 28.927 61.515 1.00 46.64 O HETATM 1910 O HOH 59 11.939 23.441 58.140 1.00 24.69 O HETATM 1911 O HOH 60 13.357 41.054 50.543 1.00 38.40 O HETATM 1912 O HOH 61 7.455 37.111 55.603 1.00 47.65 O HETATM 1913 O HOH 62 25.475 30.509 47.210 1.00 62.15 O HETATM 1914 O HOH 63 15.680 25.426 59.832 1.00 42.54 O HETATM 1915 O HOH 64 26.123 13.166 37.231 1.00 52.46 O HETATM 1916 O HOH 65 20.105 33.757 60.518 1.00 45.61 O HETATM 1917 O HOH 66 11.609 40.633 52.845 1.00 38.40 O HETATM 1918 O HOH 67 22.351 25.880 51.982 1.00 40.22 O HETATM 1919 O HOH 68 25.615 24.756 45.583 1.00 58.00 O HETATM 1920 O HOH 69 16.571 38.621 52.604 1.00 43.57 O HETATM 1921 O HOH 70 21.998 24.895 54.405 1.00 34.74 O HETATM 1922 O HOH 71 10.318 8.362 40.262 1.00 63.63 O HETATM 1923 O HOH 72 16.068 30.474 60.414 1.00 39.72 O HETATM 1924 O HOH 73 15.283 19.447 60.522 1.00 30.93 O HETATM 1925 O HOH 74 24.527 26.123 50.548 1.00 63.28 O HETATM 1926 O HOH 75 15.379 16.283 56.398 1.00 27.97 O HETATM 1927 O HOH 76 24.322 18.054 47.473 1.00 38.02 O HETATM 1928 O HOH 77 27.119 15.171 48.460 1.00 33.26 O HETATM 1929 O HOH 78 24.235 22.942 53.440 1.00 38.62 O HETATM 1930 O HOH 79 27.573 15.867 45.911 1.00 43.10 O HETATM 1931 O HOH 80 24.574 10.657 39.761 1.00 42.79 O HETATM 1932 O HOH 81 24.643 16.110 43.863 1.00 47.13 O HETATM 1933 O HOH 82 26.102 8.028 44.296 1.00 47.05 O HETATM 1934 O HOH 83 7.977 2.880 42.274 1.00 53.95 O HETATM 1935 O HOH 84 2.539 4.241 44.744 1.00 42.43 O HETATM 1936 O HOH 85 9.798 -0.375 52.132 1.00 64.45 O HETATM 1937 O HOH 86 -5.603 3.316 56.460 1.00 58.98 O HETATM 1938 O HOH 87 4.754 6.639 54.764 1.00 40.08 O HETATM 1939 O HOH 88 2.620 5.248 54.183 1.00 34.68 O HETATM 1940 O HOH 89 10.024 6.043 57.624 1.00 34.12 O HETATM 1941 O HOH 90 15.336 4.244 55.835 1.00 37.29 O HETATM 1942 O HOH 91 25.391 3.594 54.847 1.00 53.69 O HETATM 1943 O HOH 92 0.013 22.567 58.546 1.00 27.36 O HETATM 1944 O HOH 93 1.252 20.361 59.962 1.00 26.74 O HETATM 1945 O HOH 94 -0.777 33.253 57.225 1.00 42.40 O HETATM 1946 O HOH 95 2.833 37.767 48.769 1.00 39.79 O HETATM 1947 O HOH 96 3.407 35.111 57.767 1.00 68.10 O HETATM 1948 O HOH 97 1.204 33.986 52.054 1.00 44.28 O HETATM 1949 O HOH 98 24.262 10.032 55.853 1.00 26.54 O HETATM 1950 O HOH 99 -1.510 35.415 54.062 1.00 72.33 O HETATM 1951 O HOH 100 23.977 37.960 42.347 1.00 49.52 O HETATM 1952 O HOH 101 -1.605 16.906 48.877 1.00 42.88 O HETATM 1953 O HOH 102 24.198 30.417 62.949 1.00 52.99 O HETATM 1954 O HOH 103 7.860 37.785 43.182 1.00 38.58 O HETATM 1955 O HOH 104 30.089 25.916 52.939 1.00 85.98 O HETATM 1956 O HOH 105 21.049 38.259 53.584 1.00 33.27 O HETATM 1957 O HOH 106 28.874 27.410 60.739 1.00 70.41 O HETATM 1958 O HOH 107 16.756 5.777 36.168 1.00 69.32 O HETATM 1959 O HOH 108 23.684 34.871 58.290 1.00 57.98 O HETATM 1960 O HOH 109 3.196 13.370 57.594 1.00 51.26 O HETATM 1961 O HOH 110 -0.739 17.806 37.909 1.00 53.32 O HETATM 1962 O HOH 111 -1.488 24.526 45.233 1.00 51.01 O HETATM 1963 O HOH 112 11.430 21.105 59.114 1.00 59.17 O HETATM 1964 O HOH 113 25.257 41.002 47.731 1.00 58.25 O HETATM 1965 O HOH 114 0.002 29.779 47.071 1.00 41.71 O HETATM 1966 O HOH 115 21.588 3.378 54.978 1.00 47.33 O HETATM 1967 O HOH 116 31.946 26.466 55.943 1.00 96.47 O HETATM 1968 O HOH 117 25.234 40.362 43.252 1.00 49.97 O HETATM 1969 O HOH 118 14.324 4.608 38.517 1.00 56.44 O HETATM 1970 O HOH 119 1.172 31.357 44.766 1.00 53.77 O HETATM 1971 O HOH 120 10.680 3.981 54.094 1.00 99.98 O HETATM 1972 O HOH 121 1.602 6.001 43.032 1.00 55.06 O HETATM 1973 O HOH 122 19.540 2.858 40.256 1.00 73.65 O HETATM 1974 O HOH 123 16.288 3.907 40.638 1.00 48.53 O HETATM 1975 O HOH 124 13.246 4.874 54.192 1.00 44.52 O HETATM 1976 O HOH 125 16.385 33.965 62.706 1.00 60.11 O HETATM 1977 O HOH 126 -2.768 18.106 46.933 1.00 49.31 O HETATM 1978 O HOH 127 -2.347 31.949 41.207 1.00 94.54 O HETATM 1979 O HOH 128 7.714 2.001 56.660 1.00 67.99 O HETATM 1980 O HOH 129 19.555 26.941 62.858 1.00 65.06 O HETATM 1981 O HOH 130 -4.118 21.699 44.569 1.00 55.08 O HETATM 1982 O HOH 131 13.984 31.237 63.000 1.00 49.54 O HETATM 1983 O HOH 132 -3.687 13.650 42.669 1.00 59.58 O HETATM 1984 O HOH 133 13.379 21.401 61.309 1.00 44.41 O HETATM 1985 O HOH 134 1.120 34.939 55.426 1.00 55.35 O HETATM 1986 O HOH 135 28.775 5.509 53.536 1.00 80.52 O HETATM 1987 O HOH 136 -0.850 4.409 46.275 1.00 52.97 O HETATM 1988 O HOH 137 5.830 32.506 61.460 1.00 73.05 O HETATM 1989 O HOH 138 11.323 36.991 58.942 1.00 59.23 O HETATM 1990 O HOH 139 30.642 1.280 50.390 1.00 94.29 O HETATM 1991 O HOH 140 -0.606 12.568 41.895 1.00 52.92 O HETATM 1992 O HOH 141 -3.113 34.172 56.620 1.00 80.61 O HETATM 1993 O HOH 142 -2.513 20.225 41.154 1.00 50.23 O HETATM 1994 O HOH 143 0.104 26.844 41.702 1.00 55.18 O HETATM 1995 C1 VIT A 144 6.410 15.409 39.000 1.00 -0.05 C HETATM 1996 C23 VIT A 144 7.482 15.299 37.907 1.00 -0.01 C HETATM 1997 C24 VIT A 144 7.399 13.767 37.666 1.00 -0.09 C HETATM 1998 C25 VIT A 144 5.943 13.297 37.442 1.00 -0.10 C HETATM 1999 C26 VIT A 144 5.922 11.805 37.225 1.00 -0.03 C HETATM 2000 C27 VIT A 144 4.469 11.305 36.996 1.00 -0.04 C HETATM 2001 C29 VIT A 144 4.468 9.777 36.800 1.00 -0.06 C HETATM 2002 H44 VIT A 144 4.898 9.293 37.689 1.00 0.02 H HETATM 2003 H45 VIT A 144 5.070 9.520 35.916 1.00 0.02 H HETATM 2004 H46 VIT A 144 3.436 9.427 36.655 1.00 0.02 H HETATM 2005 C28 VIT A 144 3.860 11.962 35.732 1.00 -0.06 C HETATM 2006 H41 VIT A 144 2.833 11.596 35.587 1.00 0.02 H HETATM 2007 H42 VIT A 144 4.469 11.702 34.854 1.00 0.02 H HETATM 2008 H43 VIT A 144 3.845 13.055 35.858 1.00 0.02 H HETATM 2009 H40 VIT A 144 3.857 11.564 37.873 1.00 0.03 H HETATM 2010 H38 VIT A 144 6.341 11.305 38.111 1.00 0.04 H HETATM 2011 H39 VIT A 144 6.532 11.559 36.343 1.00 0.04 H HETATM 2012 H37 VIT A 144 5.067 13.944 37.441 1.00 0.05 H HETATM 2013 H36 VIT A 144 8.262 13.104 37.656 1.00 0.05 H HETATM 2014 C22 VIT A 144 9.010 15.742 38.153 1.00 -0.09 C HETATM 2015 C21 VIT A 144 9.511 16.930 38.660 1.00 -0.10 C HETATM 2016 C20 VIT A 144 10.731 17.622 38.565 1.00 -0.03 C HETATM 2017 C18 VIT A 144 11.170 19.132 38.455 1.00 -0.04 C HETATM 2018 C19 VIT A 144 9.912 19.966 38.542 1.00 -0.06 C HETATM 2019 H28 VIT A 144 9.314 19.823 37.630 1.00 0.02 H HETATM 2020 H29 VIT A 144 10.182 21.028 38.641 1.00 0.02 H HETATM 2021 H30 VIT A 144 9.325 19.654 39.418 1.00 0.02 H HETATM 2022 C17 VIT A 144 12.548 18.917 39.594 1.00 -0.05 C HETATM 2023 C16 VIT A 144 12.596 19.832 41.243 1.00 -0.05 C HETATM 2024 C15 VIT A 144 13.653 21.368 42.015 1.00 -0.02 C HETATM 2025 C9 VIT A 144 14.812 22.759 42.256 1.00 0.08 C HETATM 2026 C14 VIT A 144 14.855 23.900 41.274 1.00 -0.03 C HETATM 2027 H18 VIT A 144 15.656 23.723 40.541 1.00 0.03 H HETATM 2028 H19 VIT A 144 15.052 24.839 41.812 1.00 0.03 H HETATM 2029 H20 VIT A 144 13.889 23.971 40.752 1.00 0.03 H HETATM 2030 C11 VIT A 144 13.595 23.201 43.229 1.00 -0.01 C HETATM 2031 C10 VIT A 144 13.777 22.890 44.774 1.00 -0.03 C HETATM 2032 C3 VIT A 144 15.238 22.624 45.314 1.00 -0.03 C HETATM 2033 C4 VIT A 144 16.179 22.102 44.381 1.00 0.07 C HETATM 2034 O1 VIT A 144 15.737 21.857 43.044 1.00 -0.33 O HETATM 2035 C5 VIT A 144 17.532 21.829 44.784 1.00 -0.04 C HETATM 2036 C6 VIT A 144 17.932 22.088 46.154 1.00 -0.04 C HETATM 2037 C7 VIT A 144 16.975 22.615 47.090 1.00 0.07 C HETATM 2038 C2 VIT A 144 15.625 22.883 46.672 1.00 -0.04 C HETATM 2039 C8 VIT A 144 14.619 23.394 47.680 1.00 -0.04 C HETATM 2040 H4 VIT A 144 13.647 23.541 47.186 1.00 0.03 H HETATM 2041 H5 VIT A 144 14.969 24.351 48.094 1.00 0.03 H HETATM 2042 H6 VIT A 144 14.510 22.661 48.493 1.00 0.03 H HETATM 2043 O2 VIT A 144 17.202 22.826 48.477 1.00 -0.35 O HETATM 2044 H17 VIT A 144 18.109 22.631 48.681 1.00 0.24 H HETATM 2045 C13 VIT A 144 19.307 21.744 46.315 1.00 -0.04 C HETATM 2046 H14 VIT A 144 19.615 21.939 47.353 1.00 0.03 H HETATM 2047 H15 VIT A 144 19.919 22.350 45.631 1.00 0.03 H HETATM 2048 H16 VIT A 144 19.448 20.677 46.085 1.00 0.03 H HETATM 2049 C12 VIT A 144 18.497 21.340 43.706 1.00 -0.04 C HETATM 2050 H11 VIT A 144 17.955 21.219 42.756 1.00 0.03 H HETATM 2051 H12 VIT A 144 18.926 20.373 44.009 1.00 0.03 H HETATM 2052 H13 VIT A 144 19.305 22.075 43.576 1.00 0.03 H HETATM 2053 H7 VIT A 144 13.375 23.750 45.330 1.00 0.04 H HETATM 2054 H8 VIT A 144 13.178 21.996 45.000 1.00 0.04 H HETATM 2055 H9 VIT A 144 12.688 22.681 42.888 1.00 0.03 H HETATM 2056 H10 VIT A 144 13.457 24.287 43.120 1.00 0.03 H HETATM 2057 H21 VIT A 144 14.028 20.793 42.874 1.00 0.03 H HETATM 2058 H22 VIT A 144 12.765 21.942 42.318 1.00 0.03 H HETATM 2059 H23 VIT A 144 12.793 19.022 41.960 1.00 0.03 H HETATM 2060 H24 VIT A 144 11.557 20.176 41.356 1.00 0.03 H HETATM 2061 H25 VIT A 144 13.456 19.211 39.046 1.00 0.03 H HETATM 2062 H26 VIT A 144 12.594 17.844 39.830 1.00 0.03 H HETATM 2063 H27 VIT A 144 11.599 19.376 37.472 1.00 0.03 H HETATM 2064 H31 VIT A 144 11.190 17.174 37.671 1.00 0.04 H HETATM 2065 H32 VIT A 144 11.268 17.282 39.462 1.00 0.04 H HETATM 2066 H33 VIT A 144 8.786 17.453 39.281 1.00 0.05 H HETATM 2067 H34 VIT A 144 9.759 15.000 37.881 1.00 0.05 H HETATM 2068 H35 VIT A 144 7.138 15.857 37.024 1.00 0.05 H HETATM 2069 H1 VIT A 144 5.447 15.051 38.607 1.00 0.03 H HETATM 2070 H2 VIT A 144 6.311 16.459 39.312 1.00 0.03 H HETATM 2071 H3 VIT A 144 6.704 14.796 39.865 1.00 0.03 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 393 392 1750 CONECT 424 423 640 CONECT 630 629 1399 CONECT 640 424 639 CONECT 714 713 1845 CONECT 724 723 1306 CONECT 821 820 1199 CONECT 1120 1119 1281 CONECT 1199 821 1198 CONECT 1281 1120 1280 CONECT 1306 724 1305 CONECT 1399 630 1398 CONECT 1750 393 1749 CONECT 1845 714 1844 CONECT 1995 1996 2069 2070 2071 CONECT 1996 1995 1997 2014 2068 CONECT 1997 1996 1998 2013 CONECT 1998 1997 1999 2012 CONECT 1999 1998 2000 2010 2011 CONECT 2000 1999 2001 2005 2009 CONECT 2001 2000 2002 2003 2004 CONECT 2002 2001 CONECT 2003 2001 CONECT 2004 2001 CONECT 2005 2000 2006 2007 2008 CONECT 2006 2005 CONECT 2007 2005 CONECT 2008 2005 CONECT 2009 2000 CONECT 2010 1999 CONECT 2011 1999 CONECT 2012 1998 CONECT 2013 1997 CONECT 2014 1996 2015 2067 CONECT 2015 2014 2016 2066 CONECT 2016 2015 2017 2064 2065 CONECT 2017 2016 2018 2022 2063 CONECT 2018 2017 2019 2020 2021 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2018 CONECT 2022 2017 2023 2061 2062 CONECT 2023 2022 2024 2059 2060 CONECT 2024 2023 2025 2057 2058 CONECT 2025 2024 2026 2030 2034 CONECT 2026 2025 2027 2028 2029 CONECT 2027 2026 CONECT 2028 2026 CONECT 2029 2026 CONECT 2030 2025 2031 2055 2056 CONECT 2031 2030 2032 2053 2054 CONECT 2032 2031 2033 2038 CONECT 2033 2032 2034 2035 CONECT 2034 2025 2033 CONECT 2035 2033 2036 2049 CONECT 2036 2035 2037 2045 CONECT 2037 2036 2038 2043 CONECT 2038 2032 2037 2039 CONECT 2039 2038 2040 2041 2042 CONECT 2040 2039 CONECT 2041 2039 CONECT 2042 2039 CONECT 2043 2037 2044 CONECT 2044 2043 CONECT 2045 2036 2046 2047 2048 CONECT 2046 2045 CONECT 2047 2045 CONECT 2048 2045 CONECT 2049 2035 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2031 CONECT 2054 2031 CONECT 2055 2030 CONECT 2056 2030 CONECT 2057 2024 CONECT 2058 2024 CONECT 2059 2023 CONECT 2060 2023 CONECT 2061 2022 CONECT 2062 2022 CONECT 2063 2017 CONECT 2064 2016 CONECT 2065 2016 CONECT 2066 2015 CONECT 2067 2014 CONECT 2068 1996 CONECT 2069 1995 CONECT 2070 1995 CONECT 2071 1995 MASTER 0 0 0 0 0 0 0 0 2070 1 95 10 END
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Structure:
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Related entries of code: 1kpm
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
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121aa, >1FV0_1|Chains... *
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121aa, >2ARM_1|Chain... at 100%
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121aa, >2B17_1|Chain... at 100%
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121aa, >3H1X_1|Chain... at 100%
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PDBbind
121aa, >4QEM_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QER_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QF7_1|Chain... at 100%
4qf8
RCSB PDB
PDBbind
121aa, >4QF8_1|Chain... at 100%
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RCSB PDB
PDBbind
121aa, >4QGD_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID
1kpm
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
phospholipase a2
Ligand Name
VIT
EC.Number
E.C.3.1.1.4
Resolution
1.8(Å)
Affinity (Kd/Ki/IC50)
Ki=1.59uM
Release Year
2002
Protein/NA Sequence
Check fasta file
Primary Reference
J.Mol.Biol.v320;pp.215-222
Ligand Properties
Formula
C
2
9
H
4
6
O
2
Molecular Weight
426.674
Exact Mass
426.350
No. of atoms
77
No. of bonds
78
Polar Surface Area
29.46
LOGP Value
9.16 (
Computed with XLOGP3
)
8.39 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 1
No. of Rotatable Bonds: 11
No. of Nitrogen and Oxygen Atoms: 2
No. of Rings: 2
Canonical SMILES
C[C@@H](CCC[C@@]1(C)CCc2c(O1)c(C)c(c(c2C)O)C)C/C=C/[C@@H](/C=C/CC(C)C)C
InChI String
InChI=1S/C29H46O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h9-10,13-14,20-22,30H,11-12,15-19H2,1-8H3/b13-9+,14-10+/t21-,22-,29+/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):
P59071
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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