Browse entries in the PDBbind-CN Database
HEADER 3S0D_COMPLEX COMPND 3S0D_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 MET THR ILE GLU GLU LEU LYS THR ARG LEU HIS THR GLU SEQRES 2 A 119 GLN SER VAL CYS LYS THR GLU THR GLY ILE ASP GLN GLN SEQRES 3 A 119 LYS ALA ASN ASP VAL ILE GLU GLY ASN ILE ASP VAL GLU SEQRES 4 A 119 ASP LYS LYS VAL GLN LEU TYR CYS GLU CYS ILE LEU LYS SEQRES 5 A 119 ASN PHE ASN ILE LEU ASP LYS ASN ASN VAL PHE LYS PRO SEQRES 6 A 119 GLN GLY ILE LYS ALA VAL MET GLU LEU LEU ILE ASP GLU SEQRES 7 A 119 ASN SER VAL LYS GLN LEU VAL SER ASP CYS SER THR ILE SEQRES 8 A 119 SER GLU GLU ASN PRO HIS LEU LYS ALA SER LYS LEU VAL SEQRES 9 A 119 GLN CYS VAL SER LYS TYR LYS THR MET LYS SER VAL ASP SEQRES 10 A 119 PHE LEU HET CTV A 291 33 SSBOND 1 CYS A 17 CYS A 49 SSBOND 2 CYS A 88 CYS A 106 ATOM 1 N MET A 1 10.493 -2.184 27.983 1.00 16.55 N ATOM 2 CA MET A 1 11.637 -1.227 28.014 1.00 15.89 C ATOM 3 C MET A 1 12.268 -1.341 29.383 1.00 14.33 C ATOM 4 O MET A 1 11.597 -1.179 30.395 1.00 14.88 O ATOM 5 CB MET A 1 11.183 0.213 27.752 1.00 16.78 C ATOM 6 CG MET A 1 12.303 1.111 27.241 1.00 18.30 C ATOM 7 SD MET A 1 12.116 2.884 27.530 1.00 20.64 S ATOM 8 CE MET A 1 10.762 3.305 26.446 1.00 17.99 C ATOM 9 HA MET A 1 12.349 -1.473 27.226 1.00 0.00 H ATOM 10 HB2 MET A 1 10.386 0.196 27.009 1.00 0.00 H ATOM 11 HB3 MET A 1 10.801 0.631 28.683 1.00 0.00 H ATOM 12 HG2 MET A 1 12.384 0.958 26.165 1.00 0.00 H ATOM 13 HG3 MET A 1 13.228 0.793 27.723 1.00 0.00 H ATOM 14 HE1 MET A 1 11.035 3.068 25.418 1.00 0.00 H ATOM 15 HE2 MET A 1 9.879 2.732 26.730 1.00 0.00 H ATOM 16 HE3 MET A 1 10.548 4.371 26.531 1.00 0.00 H ATOM 17 HN3 MET A 1 9.811 -1.931 28.726 1.00 0.00 H ATOM 18 HN2 MET A 1 10.845 -3.149 28.148 1.00 0.00 H ATOM 19 HN1 MET A 1 10.029 -2.137 27.054 1.00 0.00 H ATOM 20 N THR A 2 13.556 -1.625 29.415 1.00 11.44 N ATOM 21 CA THR A 2 14.212 -1.816 30.690 1.00 9.62 C ATOM 22 C THR A 2 14.490 -0.447 31.311 1.00 9.47 C ATOM 23 O THR A 2 14.446 0.601 30.643 1.00 9.35 O ATOM 24 CB THR A 2 15.531 -2.572 30.550 1.00 9.79 C ATOM 25 OG1 THR A 2 16.475 -1.743 29.865 1.00 10.48 O ATOM 26 CG2 THR A 2 15.335 -3.910 29.806 1.00 10.69 C ATOM 27 HA THR A 2 13.552 -2.410 31.322 1.00 0.00 H ATOM 28 HB THR A 2 15.910 -2.809 31.544 1.00 0.00 H ATOM 29 HG1 THR A 2 17.332 -2.229 29.772 1.00 0.00 H ATOM 30 HG23 THR A 2 14.613 -4.522 30.346 1.00 0.00 H ATOM 31 HG21 THR A 2 14.966 -3.714 28.799 1.00 0.00 H ATOM 32 HG22 THR A 2 16.288 -4.435 29.749 1.00 0.00 H ATOM 33 H THR A 2 14.096 -1.711 28.530 1.00 0.00 H ATOM 34 N ILE A 3 14.772 -0.451 32.607 1.00 9.09 N ATOM 35 CA ILE A 3 15.113 0.780 33.291 1.00 8.91 C ATOM 36 C ILE A 3 16.359 1.395 32.666 1.00 8.88 C ATOM 37 O ILE A 3 16.435 2.610 32.495 1.00 8.31 O ATOM 38 CB ILE A 3 15.357 0.546 34.791 1.00 8.86 C ATOM 39 CG1 ILE A 3 14.068 0.120 35.501 1.00 9.40 C ATOM 40 CG2 ILE A 3 15.913 1.803 35.427 1.00 8.62 C ATOM 41 CD1 ILE A 3 12.943 1.093 35.375 1.00 8.50 C ATOM 42 HA ILE A 3 14.269 1.461 33.185 1.00 0.00 H ATOM 43 HB ILE A 3 16.082 -0.261 34.897 1.00 0.00 H ATOM 44 HG12 ILE A 3 13.745 -0.832 35.079 1.00 0.00 H ATOM 45 HG13 ILE A 3 14.289 -0.010 36.560 1.00 0.00 H ATOM 46 HD11 ILE A 3 13.242 2.049 35.804 1.00 0.00 H ATOM 47 HD12 ILE A 3 12.697 1.227 34.322 1.00 0.00 H ATOM 48 HD13 ILE A 3 12.072 0.710 35.907 1.00 0.00 H ATOM 49 HG21 ILE A 3 16.855 2.066 34.946 1.00 0.00 H ATOM 50 HG22 ILE A 3 15.200 2.618 35.302 1.00 0.00 H ATOM 51 HG23 ILE A 3 16.082 1.627 36.489 1.00 0.00 H ATOM 52 H ILE A 3 14.748 -1.346 33.137 1.00 0.00 H ATOM 53 N GLU A 4 17.336 0.557 32.317 1.00 8.72 N ATOM 54 CA GLU A 4 18.565 1.041 31.684 1.00 9.41 C ATOM 55 C GLU A 4 18.274 1.658 30.319 1.00 8.11 C ATOM 56 O GLU A 4 18.851 2.686 29.970 1.00 7.99 O ATOM 57 CB GLU A 4 19.611 -0.072 31.565 1.00 10.53 C ATOM 58 CG GLU A 4 20.238 -0.474 32.891 1.00 13.65 C ATOM 59 CD GLU A 4 20.844 0.696 33.645 1.00 16.19 C ATOM 60 OE1 GLU A 4 21.675 1.430 33.069 1.00 17.41 O ATOM 61 OE2 GLU A 4 20.497 0.872 34.830 1.00 17.67 O ATOM 62 HA GLU A 4 18.978 1.818 32.327 1.00 0.00 H ATOM 63 HB2 GLU A 4 19.131 -0.950 31.132 1.00 0.00 H ATOM 64 HB3 GLU A 4 20.404 0.272 30.901 1.00 0.00 H ATOM 65 HG2 GLU A 4 19.468 -0.927 33.515 1.00 0.00 H ATOM 66 HG3 GLU A 4 21.023 -1.205 32.696 1.00 0.00 H ATOM 67 H GLU A 4 17.223 -0.461 32.498 1.00 0.00 H ATOM 68 N GLU A 5 17.367 1.053 29.560 1.00 7.22 N ATOM 69 CA GLU A 5 16.961 1.632 28.293 1.00 6.91 C ATOM 70 C GLU A 5 16.244 2.982 28.485 1.00 5.76 C ATOM 71 O GLU A 5 16.460 3.898 27.690 1.00 5.84 O ATOM 72 CB GLU A 5 16.098 0.658 27.512 1.00 7.17 C ATOM 73 CG GLU A 5 16.913 -0.504 26.927 1.00 8.97 C ATOM 74 CD GLU A 5 16.106 -1.740 26.616 1.00 10.49 C ATOM 75 OE1 GLU A 5 14.867 -1.739 26.779 1.00 11.25 O ATOM 76 OE2 GLU A 5 16.744 -2.706 26.161 1.00 16.56 O ATOM 77 HA GLU A 5 17.864 1.829 27.715 1.00 0.00 H ATOM 78 HB2 GLU A 5 15.337 0.252 28.178 1.00 0.00 H ATOM 79 HB3 GLU A 5 15.615 1.194 26.695 1.00 0.00 H ATOM 80 HG2 GLU A 5 17.381 -0.161 26.004 1.00 0.00 H ATOM 81 HG3 GLU A 5 17.686 -0.774 27.646 1.00 0.00 H ATOM 82 H GLU A 5 16.944 0.157 29.877 1.00 0.00 H ATOM 83 N LEU A 6 15.402 3.103 29.509 1.00 5.80 N ATOM 84 CA LEU A 6 14.720 4.356 29.782 1.00 5.75 C ATOM 85 C LEU A 6 15.718 5.413 30.185 1.00 4.93 C ATOM 86 O LEU A 6 15.601 6.544 29.749 1.00 4.68 O ATOM 87 CB LEU A 6 13.649 4.182 30.856 1.00 6.06 C ATOM 88 CG LEU A 6 12.933 5.471 31.268 1.00 7.13 C ATOM 89 CD1 LEU A 6 12.141 6.134 30.122 1.00 8.98 C ATOM 90 CD2 LEU A 6 12.030 5.154 32.455 1.00 8.67 C ATOM 91 HA LEU A 6 14.219 4.678 28.869 1.00 0.00 H ATOM 92 HB2 LEU A 6 12.901 3.485 30.479 1.00 0.00 H ATOM 93 HB3 LEU A 6 14.123 3.760 31.742 1.00 0.00 H ATOM 94 HG LEU A 6 13.689 6.206 31.545 1.00 0.00 H ATOM 95 HD21 LEU A 6 11.302 4.396 32.164 1.00 0.00 H ATOM 96 HD22 LEU A 6 12.635 4.780 33.281 1.00 0.00 H ATOM 97 HD23 LEU A 6 11.509 6.060 32.766 1.00 0.00 H ATOM 98 HD11 LEU A 6 12.822 6.386 29.309 1.00 0.00 H ATOM 99 HD12 LEU A 6 11.381 5.442 29.759 1.00 0.00 H ATOM 100 HD13 LEU A 6 11.662 7.041 30.491 1.00 0.00 H ATOM 101 H LEU A 6 15.229 2.284 30.126 1.00 0.00 H ATOM 102 N LYS A 7 16.680 5.068 31.028 1.00 5.27 N ATOM 103 CA LYS A 7 17.722 6.013 31.405 1.00 5.64 C ATOM 104 C LYS A 7 18.397 6.588 30.167 1.00 5.09 C ATOM 105 O LYS A 7 18.575 7.787 30.030 1.00 5.28 O ATOM 106 CB LYS A 7 18.790 5.345 32.265 1.00 6.34 C ATOM 107 CG LYS A 7 18.394 5.008 33.692 1.00 7.93 C ATOM 108 CD LYS A 7 19.609 4.437 34.435 1.00 11.71 C ATOM 109 CE LYS A 7 19.243 3.733 35.704 1.00 13.14 C ATOM 110 NZ LYS A 7 20.448 3.060 36.242 1.00 14.42 N ATOM 111 HA LYS A 7 17.242 6.809 31.975 1.00 0.00 H ATOM 112 HB2 LYS A 7 19.080 4.417 31.773 1.00 0.00 H ATOM 113 HB3 LYS A 7 19.649 6.015 32.308 1.00 0.00 H ATOM 114 HG2 LYS A 7 18.049 5.910 34.197 1.00 0.00 H ATOM 115 HG3 LYS A 7 17.592 4.269 33.683 1.00 0.00 H ATOM 116 HD2 LYS A 7 20.116 3.729 33.779 1.00 0.00 H ATOM 117 HD3 LYS A 7 20.286 5.257 34.675 1.00 0.00 H ATOM 118 HE2 LYS A 7 18.469 2.993 35.502 1.00 0.00 H ATOM 119 HE3 LYS A 7 18.872 4.456 36.430 1.00 0.00 H ATOM 120 HZ1 LYS A 7 20.799 2.372 35.546 1.00 0.00 H ATOM 121 HZ2 LYS A 7 21.184 3.770 36.432 1.00 0.00 H ATOM 122 HZ3 LYS A 7 20.203 2.567 37.125 1.00 0.00 H ATOM 123 H LYS A 7 16.691 4.108 31.427 1.00 0.00 H ATOM 124 N THR A 8 18.765 5.688 29.267 1.00 5.34 N ATOM 125 CA THR A 8 19.435 6.050 28.033 1.00 5.76 C ATOM 126 C THR A 8 18.551 6.912 27.125 1.00 4.69 C ATOM 127 O THR A 8 18.996 7.920 26.595 1.00 4.81 O ATOM 128 CB THR A 8 19.915 4.777 27.330 1.00 6.37 C ATOM 129 OG1 THR A 8 20.759 4.068 28.235 1.00 8.51 O ATOM 130 CG2 THR A 8 20.656 5.087 26.059 1.00 7.61 C ATOM 131 HA THR A 8 20.300 6.668 28.272 1.00 0.00 H ATOM 132 HB THR A 8 19.052 4.172 27.052 1.00 0.00 H ATOM 133 HG1 THR A 8 21.531 4.637 28.479 1.00 0.00 H ATOM 134 HG23 THR A 8 19.998 5.628 25.379 1.00 0.00 H ATOM 135 HG21 THR A 8 21.527 5.700 26.288 1.00 0.00 H ATOM 136 HG22 THR A 8 20.978 4.156 25.591 1.00 0.00 H ATOM 137 H THR A 8 18.566 4.684 29.453 1.00 0.00 H ATOM 138 N ARG A 9 17.296 6.500 26.963 1.00 4.02 N ATOM 139 CA ARG A 9 16.350 7.246 26.152 1.00 3.85 C ATOM 140 C ARG A 9 16.158 8.645 26.690 1.00 3.62 C ATOM 141 O ARG A 9 16.122 9.600 25.925 1.00 3.45 O ATOM 142 CB ARG A 9 15.025 6.522 26.123 1.00 3.72 C ATOM 143 CG ARG A 9 13.909 7.234 25.405 1.00 4.03 C ATOM 144 CD ARG A 9 14.138 7.362 23.927 1.00 3.92 C ATOM 145 NE ARG A 9 13.030 8.060 23.285 1.00 4.30 N ATOM 146 CZ ARG A 9 11.858 7.526 22.979 1.00 5.22 C ATOM 147 NH1 ARG A 9 11.634 6.229 23.141 1.00 7.10 N ATOM 148 NH2 ARG A 9 10.925 8.314 22.442 1.00 6.59 N ATOM 149 HA ARG A 9 16.749 7.322 25.140 1.00 0.00 H ATOM 150 HB2 ARG A 9 15.179 5.560 25.634 1.00 0.00 H ATOM 151 HB3 ARG A 9 14.710 6.358 27.153 1.00 0.00 H ATOM 152 HG2 ARG A 9 12.985 6.679 25.565 1.00 0.00 H ATOM 153 HG3 ARG A 9 13.808 8.234 25.827 1.00 0.00 H ATOM 154 HD2 ARG A 9 14.232 6.367 23.493 1.00 0.00 H ATOM 155 HD3 ARG A 9 15.058 7.920 23.756 1.00 0.00 H ATOM 156 HE ARG A 9 13.173 9.062 23.047 1.00 0.00 H ATOM 157 HH12 ARG A 9 10.707 5.827 22.895 1.00 0.00 H ATOM 158 HH11 ARG A 9 12.385 5.614 23.514 1.00 0.00 H ATOM 159 HH22 ARG A 9 9.995 7.922 22.191 1.00 0.00 H ATOM 160 HH21 ARG A 9 11.128 9.320 22.274 1.00 0.00 H ATOM 161 H ARG A 9 16.985 5.623 27.428 1.00 0.00 H ATOM 162 N LEU A 10 16.062 8.772 28.011 1.00 3.58 N ATOM 163 CA LEU A 10 15.926 10.088 28.620 1.00 3.36 C ATOM 164 C LEU A 10 17.127 10.953 28.327 1.00 3.43 C ATOM 165 O LEU A 10 16.970 12.098 27.955 1.00 2.87 O ATOM 166 CB LEU A 10 15.699 9.975 30.117 1.00 3.58 C ATOM 167 CG LEU A 10 14.303 9.551 30.543 1.00 4.54 C ATOM 168 CD1 LEU A 10 14.315 9.186 31.983 1.00 6.11 C ATOM 169 CD2 LEU A 10 13.287 10.660 30.307 1.00 7.03 C ATOM 170 HA LEU A 10 15.052 10.566 28.178 1.00 0.00 H ATOM 171 HB2 LEU A 10 16.405 9.243 30.509 1.00 0.00 H ATOM 172 HB3 LEU A 10 15.903 10.949 30.561 1.00 0.00 H ATOM 173 HG LEU A 10 14.010 8.691 29.940 1.00 0.00 H ATOM 174 HD21 LEU A 10 13.572 11.540 30.883 1.00 0.00 H ATOM 175 HD22 LEU A 10 13.264 10.910 29.246 1.00 0.00 H ATOM 176 HD23 LEU A 10 12.301 10.321 30.623 1.00 0.00 H ATOM 177 HD11 LEU A 10 15.010 8.362 32.142 1.00 0.00 H ATOM 178 HD12 LEU A 10 14.630 10.047 32.572 1.00 0.00 H ATOM 179 HD13 LEU A 10 13.314 8.882 32.288 1.00 0.00 H ATOM 180 H LEU A 10 16.084 7.925 28.614 1.00 0.00 H ATOM 181 N HIS A 11 18.328 10.411 28.464 1.00 3.19 N ATOM 182 CA HIS A 11 19.514 11.182 28.173 1.00 3.45 C ATOM 183 C HIS A 11 19.502 11.641 26.713 1.00 3.30 C ATOM 184 O HIS A 11 19.851 12.769 26.406 1.00 3.67 O ATOM 185 CB HIS A 11 20.779 10.399 28.464 1.00 4.02 C ATOM 186 CG HIS A 11 21.056 10.160 29.918 1.00 5.90 C ATOM 187 ND1 HIS A 11 20.514 10.878 30.969 1.00 9.46 N ATOM 188 CD2 HIS A 11 21.905 9.268 30.473 1.00 7.25 C ATOM 189 CE1 HIS A 11 21.014 10.421 32.102 1.00 8.04 C ATOM 190 NE2 HIS A 11 21.866 9.452 31.827 1.00 10.91 N ATOM 191 HA HIS A 11 19.508 12.055 28.825 1.00 0.00 H ATOM 192 HB2 HIS A 11 20.698 9.430 27.971 1.00 0.00 H ATOM 193 HB3 HIS A 11 21.621 10.949 28.045 1.00 0.00 H ATOM 194 HD2 HIS A 11 22.510 8.536 29.939 1.00 0.00 H ATOM 195 HE1 HIS A 11 20.764 10.784 33.099 1.00 0.00 H ATOM 196 H HIS A 11 18.417 9.425 28.783 1.00 0.00 H ATOM 197 N THR A 12 19.124 10.759 25.804 1.00 2.86 N ATOM 198 CA THR A 12 19.050 11.095 24.402 1.00 3.01 C ATOM 199 C THR A 12 18.048 12.216 24.141 1.00 3.22 C ATOM 200 O THR A 12 18.369 13.168 23.430 1.00 2.95 O ATOM 201 CB THR A 12 18.765 9.840 23.568 1.00 2.65 C ATOM 202 OG1 THR A 12 19.920 9.013 23.663 1.00 3.64 O ATOM 203 CG2 THR A 12 18.462 10.180 22.119 1.00 3.01 C ATOM 204 HA THR A 12 20.019 11.483 24.088 1.00 0.00 H ATOM 205 HB THR A 12 17.881 9.329 23.949 1.00 0.00 H ATOM 206 HG1 THR A 12 19.777 8.187 23.136 1.00 0.00 H ATOM 207 HG23 THR A 12 17.575 10.812 22.073 1.00 0.00 H ATOM 208 HG21 THR A 12 19.311 10.710 21.686 1.00 0.00 H ATOM 209 HG22 THR A 12 18.283 9.261 21.561 1.00 0.00 H ATOM 210 H THR A 12 18.873 9.796 26.107 1.00 0.00 H ATOM 211 N GLU A 13 16.833 12.107 24.681 1.00 2.93 N ATOM 212 CA GLU A 13 15.858 13.142 24.443 1.00 2.65 C ATOM 213 C GLU A 13 16.246 14.441 25.100 1.00 2.26 C ATOM 214 O GLU A 13 16.002 15.501 24.551 1.00 2.69 O ATOM 215 CB GLU A 13 14.441 12.718 24.828 1.00 3.17 C ATOM 216 CG GLU A 13 13.957 11.442 24.160 1.00 3.65 C ATOM 217 CD GLU A 13 13.785 11.504 22.651 1.00 4.14 C ATOM 218 OE1 GLU A 13 14.210 12.488 22.002 1.00 4.79 O ATOM 219 OE2 GLU A 13 13.237 10.512 22.098 1.00 5.37 O ATOM 220 HA GLU A 13 15.850 13.310 23.366 1.00 0.00 H ATOM 221 HB2 GLU A 13 14.412 12.569 25.907 1.00 0.00 H ATOM 222 HB3 GLU A 13 13.759 13.524 24.556 1.00 0.00 H ATOM 223 HG2 GLU A 13 14.678 10.655 24.382 1.00 0.00 H ATOM 224 HG3 GLU A 13 12.992 11.182 24.596 1.00 0.00 H ATOM 225 H GLU A 13 16.591 11.283 25.268 1.00 0.00 H ATOM 226 N GLN A 14 16.839 14.376 26.287 1.00 2.48 N ATOM 227 CA GLN A 14 17.361 15.569 26.937 1.00 2.61 C ATOM 228 C GLN A 14 18.368 16.255 26.034 1.00 3.65 C ATOM 229 O GLN A 14 18.365 17.475 25.898 1.00 3.39 O ATOM 230 CB GLN A 14 17.972 15.204 28.286 1.00 2.83 C ATOM 231 CG GLN A 14 16.953 14.870 29.332 1.00 2.99 C ATOM 232 CD GLN A 14 17.475 13.979 30.423 1.00 3.43 C ATOM 233 OE1 GLN A 14 18.652 13.710 30.494 1.00 4.19 O ATOM 234 NE2 GLN A 14 16.590 13.517 31.289 1.00 3.78 N ATOM 235 HA GLN A 14 16.546 16.269 27.119 1.00 0.00 H ATOM 236 HB2 GLN A 14 18.622 14.340 28.148 1.00 0.00 H ATOM 237 HB3 GLN A 14 18.563 16.049 28.637 1.00 0.00 H ATOM 238 HG2 GLN A 14 16.606 15.799 29.783 1.00 0.00 H ATOM 239 HG3 GLN A 14 16.115 14.367 28.848 1.00 0.00 H ATOM 240 HE22 GLN A 14 15.586 13.772 31.193 1.00 0.00 H ATOM 241 HE21 GLN A 14 16.897 12.898 32.067 1.00 0.00 H ATOM 242 H GLN A 14 16.932 13.455 26.761 1.00 0.00 H ATOM 243 N SER A 15 19.237 15.479 25.410 1.00 3.52 N ATOM 244 CA SER A 15 20.265 16.038 24.540 1.00 3.65 C ATOM 245 C SER A 15 19.665 16.681 23.302 1.00 4.07 C ATOM 246 O SER A 15 19.966 17.816 22.973 1.00 3.97 O ATOM 247 CB SER A 15 21.257 14.955 24.112 1.00 3.99 C ATOM 248 OG SER A 15 22.129 15.450 23.108 1.00 4.14 O ATOM 249 HA SER A 15 20.784 16.806 25.113 1.00 0.00 H ATOM 250 HB2 SER A 15 20.707 14.099 23.720 1.00 0.00 H ATOM 251 HB3 SER A 15 21.844 14.644 24.976 1.00 0.00 H ATOM 252 HG SER A 15 22.763 14.738 22.843 1.00 0.00 H ATOM 253 H SER A 15 19.187 14.449 25.542 1.00 0.00 H ATOM 254 N VAL A 16 18.793 15.963 22.617 1.00 3.52 N ATOM 255 CA VAL A 16 18.256 16.523 21.396 1.00 4.27 C ATOM 256 C VAL A 16 17.335 17.710 21.694 1.00 3.00 C ATOM 257 O VAL A 16 17.281 18.672 20.924 1.00 3.45 O ATOM 258 CB VAL A 16 17.601 15.485 20.452 1.00 5.24 C ATOM 259 CG1 VAL A 16 18.580 14.372 20.061 1.00 7.97 C ATOM 260 CG2 VAL A 16 16.388 14.943 21.012 1.00 6.92 C ATOM 261 HA VAL A 16 19.113 16.894 20.833 1.00 0.00 H ATOM 262 HB VAL A 16 17.330 16.015 19.539 1.00 0.00 H ATOM 263 HG11 VAL A 16 19.438 14.808 19.548 1.00 0.00 H ATOM 264 HG12 VAL A 16 18.917 13.854 20.959 1.00 0.00 H ATOM 265 HG13 VAL A 16 18.080 13.666 19.398 1.00 0.00 H ATOM 266 HG21 VAL A 16 16.614 14.451 21.958 1.00 0.00 H ATOM 267 HG22 VAL A 16 15.675 15.750 21.182 1.00 0.00 H ATOM 268 HG23 VAL A 16 15.961 14.219 20.318 1.00 0.00 H ATOM 269 H VAL A 16 18.501 15.021 22.946 1.00 0.00 H ATOM 270 N CYS A 17 16.624 17.675 22.809 1.00 2.84 N ATOM 271 CA CYS A 17 15.762 18.787 23.139 1.00 3.04 C ATOM 272 C CYS A 17 16.540 19.996 23.616 1.00 3.14 C ATOM 273 O CYS A 17 16.104 21.117 23.378 1.00 3.46 O ATOM 274 CB CYS A 17 14.675 18.375 24.125 1.00 3.17 C ATOM 275 SG CYS A 17 13.485 17.228 23.374 1.00 4.01 S ATOM 276 HA CYS A 17 15.264 19.090 22.218 1.00 0.00 H ATOM 277 HB2 CYS A 17 14.144 19.267 24.459 1.00 0.00 H ATOM 278 HB3 CYS A 17 15.141 17.889 24.982 1.00 0.00 H ATOM 279 H CYS A 17 16.685 16.853 23.443 1.00 0.00 H ATOM 280 N LYS A 18 17.695 19.800 24.245 1.00 3.06 N ATOM 281 CA LYS A 18 18.537 20.927 24.610 1.00 3.62 C ATOM 282 C LYS A 18 18.976 21.635 23.340 1.00 3.92 C ATOM 283 O LYS A 18 18.927 22.862 23.260 1.00 4.31 O ATOM 284 CB LYS A 18 19.730 20.492 25.436 1.00 4.30 C ATOM 285 CG LYS A 18 20.624 21.646 25.866 1.00 5.35 C ATOM 286 CD LYS A 18 21.724 21.232 26.825 1.00 8.13 C ATOM 287 CE LYS A 18 22.620 22.419 27.158 1.00 10.45 C ATOM 288 NZ LYS A 18 23.313 22.891 25.954 1.00 14.54 N ATOM 289 HA LYS A 18 17.965 21.614 25.234 1.00 0.00 H ATOM 290 HB2 LYS A 18 19.365 19.986 26.330 1.00 0.00 H ATOM 291 HB3 LYS A 18 20.325 19.797 24.844 1.00 0.00 H ATOM 292 HG2 LYS A 18 21.085 22.076 24.977 1.00 0.00 H ATOM 293 HG3 LYS A 18 20.005 22.399 26.354 1.00 0.00 H ATOM 294 HD2 LYS A 18 21.275 20.853 27.743 1.00 0.00 H ATOM 295 HD3 LYS A 18 22.325 20.447 26.365 1.00 0.00 H ATOM 296 HE2 LYS A 18 23.357 22.115 27.901 1.00 0.00 H ATOM 297 HE3 LYS A 18 22.010 23.227 27.562 1.00 0.00 H ATOM 298 HZ1 LYS A 18 23.898 22.122 25.568 1.00 0.00 H ATOM 299 HZ2 LYS A 18 22.612 23.184 25.244 1.00 0.00 H ATOM 300 HZ3 LYS A 18 23.919 23.700 26.199 1.00 0.00 H ATOM 301 H LYS A 18 17.998 18.833 24.478 1.00 0.00 H ATOM 302 N THR A 19 19.408 20.876 22.340 1.00 3.74 N ATOM 303 CA THR A 19 19.876 21.411 21.072 1.00 4.42 C ATOM 304 C THR A 19 18.736 22.088 20.280 1.00 3.83 C ATOM 305 O THR A 19 18.922 23.087 19.602 1.00 4.39 O ATOM 306 CB THR A 19 20.536 20.248 20.268 1.00 4.64 C ATOM 307 OG1 THR A 19 21.555 19.632 21.075 1.00 6.79 O ATOM 308 CG2 THR A 19 21.136 20.751 18.990 1.00 6.53 C ATOM 309 HA THR A 19 20.614 22.193 21.252 1.00 0.00 H ATOM 310 HB THR A 19 19.768 19.517 20.017 1.00 0.00 H ATOM 311 HG1 THR A 19 21.975 18.894 20.567 1.00 0.00 H ATOM 312 HG23 THR A 19 20.359 21.216 18.384 1.00 0.00 H ATOM 313 HG21 THR A 19 21.909 21.485 19.217 1.00 0.00 H ATOM 314 HG22 THR A 19 21.575 19.917 18.443 1.00 0.00 H ATOM 315 H THR A 19 19.412 19.844 22.471 1.00 0.00 H ATOM 316 N GLU A 20 17.545 21.505 20.342 1.00 3.18 N ATOM 317 CA GLU A 20 16.422 22.050 19.609 1.00 3.21 C ATOM 318 C GLU A 20 15.983 23.388 20.174 1.00 2.91 C ATOM 319 O GLU A 20 15.526 24.248 19.415 1.00 3.21 O ATOM 320 CB GLU A 20 15.251 21.068 19.624 1.00 3.76 C ATOM 321 CG GLU A 20 14.024 21.580 18.907 1.00 5.14 C ATOM 322 CD GLU A 20 12.856 20.619 18.909 1.00 5.56 C ATOM 323 OE1 GLU A 20 13.053 19.450 18.557 1.00 7.67 O ATOM 324 OE2 GLU A 20 11.734 21.049 19.228 1.00 9.59 O ATOM 325 HA GLU A 20 16.746 22.209 18.580 1.00 0.00 H ATOM 326 HB2 GLU A 20 15.570 20.143 19.144 1.00 0.00 H ATOM 327 HB3 GLU A 20 14.985 20.864 20.661 1.00 0.00 H ATOM 328 HG2 GLU A 20 13.707 22.504 19.390 1.00 0.00 H ATOM 329 HG3 GLU A 20 14.295 21.787 17.872 1.00 0.00 H ATOM 330 H GLU A 20 17.418 20.651 20.921 1.00 0.00 H ATOM 331 N THR A 21 16.092 23.556 21.479 1.00 2.95 N ATOM 332 CA THR A 21 15.528 24.722 22.168 1.00 3.40 C ATOM 333 C THR A 21 16.556 25.761 22.524 1.00 3.94 C ATOM 334 O THR A 21 16.179 26.898 22.762 1.00 5.41 O ATOM 335 CB THR A 21 14.801 24.274 23.453 1.00 3.94 C ATOM 336 OG1 THR A 21 15.750 23.727 24.379 1.00 4.86 O ATOM 337 CG2 THR A 21 13.727 23.260 23.130 1.00 4.70 C ATOM 338 HA THR A 21 14.831 25.183 21.468 1.00 0.00 H ATOM 339 HB THR A 21 14.321 25.140 23.909 1.00 0.00 H ATOM 340 HG1 THR A 21 16.200 22.947 23.967 1.00 0.00 H ATOM 341 HG23 THR A 21 13.018 23.696 22.426 1.00 0.00 H ATOM 342 HG21 THR A 21 14.185 22.376 22.686 1.00 0.00 H ATOM 343 HG22 THR A 21 13.206 22.980 24.046 1.00 0.00 H ATOM 344 H THR A 21 16.595 22.837 22.038 1.00 0.00 H ATOM 345 N GLY A 22 17.830 25.381 22.597 1.00 3.88 N ATOM 346 CA GLY A 22 18.844 26.308 23.064 1.00 4.26 C ATOM 347 C GLY A 22 18.772 26.624 24.545 1.00 4.67 C ATOM 348 O GLY A 22 19.361 27.607 24.994 1.00 5.50 O ATOM 349 HA3 GLY A 22 18.734 27.241 22.511 1.00 0.00 H ATOM 350 HA2 GLY A 22 19.823 25.876 22.855 1.00 0.00 H ATOM 351 H GLY A 22 18.099 24.416 22.318 1.00 0.00 H ATOM 352 N ILE A 23 18.079 25.803 25.324 1.00 4.48 N ATOM 353 CA ILE A 23 17.989 26.013 26.763 1.00 4.54 C ATOM 354 C ILE A 23 19.376 25.924 27.385 1.00 5.28 C ATOM 355 O ILE A 23 20.188 25.084 27.000 1.00 5.66 O ATOM 356 CB ILE A 23 17.004 25.011 27.394 1.00 4.29 C ATOM 357 CG1 ILE A 23 16.713 25.361 28.856 1.00 4.41 C ATOM 358 CG2 ILE A 23 17.504 23.593 27.265 1.00 5.08 C ATOM 359 CD1 ILE A 23 15.611 24.493 29.432 1.00 6.32 C ATOM 360 HA ILE A 23 17.599 27.011 26.961 1.00 0.00 H ATOM 361 HB ILE A 23 16.067 25.084 26.842 1.00 0.00 H ATOM 362 HG12 ILE A 23 17.621 25.215 29.442 1.00 0.00 H ATOM 363 HG13 ILE A 23 16.408 26.406 28.915 1.00 0.00 H ATOM 364 HD11 ILE A 23 14.697 24.638 28.856 1.00 0.00 H ATOM 365 HD12 ILE A 23 15.911 23.446 29.382 1.00 0.00 H ATOM 366 HD13 ILE A 23 15.435 24.773 30.471 1.00 0.00 H ATOM 367 HG21 ILE A 23 17.622 23.345 26.210 1.00 0.00 H ATOM 368 HG22 ILE A 23 18.465 23.500 27.771 1.00 0.00 H ATOM 369 HG23 ILE A 23 16.785 22.913 27.721 1.00 0.00 H ATOM 370 H ILE A 23 17.589 24.991 24.897 1.00 0.00 H ATOM 371 N ASP A 24 19.614 26.769 28.378 1.00 5.37 N ATOM 372 CA ASP A 24 20.842 26.695 29.162 1.00 6.21 C ATOM 373 C ASP A 24 20.927 25.333 29.836 1.00 5.48 C ATOM 374 O ASP A 24 19.917 24.808 30.301 1.00 5.26 O ATOM 375 CB ASP A 24 20.844 27.726 30.305 1.00 7.63 C ATOM 376 CG ASP A 24 21.018 29.137 29.853 1.00 11.30 C ATOM 377 OD1 ASP A 24 21.382 29.386 28.690 1.00 12.98 O ATOM 378 OD2 ASP A 24 20.772 30.005 30.716 1.00 14.17 O ATOM 379 HA ASP A 24 21.670 26.879 28.478 1.00 0.00 H ATOM 380 HB2 ASP A 24 19.895 27.651 30.836 1.00 0.00 H ATOM 381 HB3 ASP A 24 21.660 27.481 30.986 1.00 0.00 H ATOM 382 H ASP A 24 18.910 27.501 28.603 1.00 0.00 H ATOM 383 N GLN A 25 22.134 24.807 29.991 1.00 5.54 N ATOM 384 CA GLN A 25 22.299 23.543 30.684 1.00 5.87 C ATOM 385 C GLN A 25 21.767 23.625 32.105 1.00 5.42 C ATOM 386 O GLN A 25 21.184 22.676 32.597 1.00 5.55 O ATOM 387 CB GLN A 25 23.754 23.095 30.729 1.00 7.25 C ATOM 388 CG GLN A 25 23.947 21.740 31.464 1.00 9.54 C ATOM 389 CD GLN A 25 23.413 20.550 30.686 1.00 11.39 C ATOM 390 OE1 GLN A 25 22.466 19.864 31.104 1.00 12.49 O ATOM 391 NE2 GLN A 25 24.000 20.308 29.534 1.00 13.41 N ATOM 392 HA GLN A 25 21.727 22.809 30.117 1.00 0.00 H ATOM 393 HB2 GLN A 25 24.118 22.991 29.707 1.00 0.00 H ATOM 394 HB3 GLN A 25 24.337 23.857 31.246 1.00 0.00 H ATOM 395 HG2 GLN A 25 25.013 21.590 31.638 1.00 0.00 H ATOM 396 HG3 GLN A 25 23.427 21.789 32.421 1.00 0.00 H ATOM 397 HE22 GLN A 25 24.791 20.905 29.218 1.00 0.00 H ATOM 398 HE21 GLN A 25 23.674 19.520 28.940 1.00 0.00 H ATOM 399 H GLN A 25 22.967 25.303 29.614 1.00 0.00 H ATOM 400 N GLN A 26 21.990 24.752 32.770 1.00 4.99 N ATOM 401 CA GLN A 26 21.520 24.921 34.140 1.00 5.56 C ATOM 402 C GLN A 26 20.005 24.726 34.214 1.00 4.79 C ATOM 403 O GLN A 26 19.503 24.054 35.119 1.00 4.93 O ATOM 404 CB GLN A 26 21.852 26.317 34.650 1.00 6.73 C ATOM 405 CG GLN A 26 21.249 26.624 36.004 1.00 9.36 C ATOM 406 CD GLN A 26 21.807 25.747 37.079 1.00 13.52 C ATOM 407 OE1 GLN A 26 23.028 25.600 37.200 1.00 16.46 O ATOM 408 NE2 GLN A 26 20.931 25.156 37.884 1.00 15.75 N ATOM 409 HA GLN A 26 22.020 24.174 34.757 1.00 0.00 H ATOM 410 HB2 GLN A 26 22.936 26.408 34.726 1.00 0.00 H ATOM 411 HB3 GLN A 26 21.476 27.046 33.931 1.00 0.00 H ATOM 412 HG2 GLN A 26 21.458 27.664 36.255 1.00 0.00 H ATOM 413 HG3 GLN A 26 20.171 26.474 35.951 1.00 0.00 H ATOM 414 HE22 GLN A 26 19.912 25.308 37.745 1.00 0.00 H ATOM 415 HE21 GLN A 26 21.264 24.541 38.653 1.00 0.00 H ATOM 416 H GLN A 26 22.508 25.526 32.307 1.00 0.00 H ATOM 417 N LYS A 27 19.274 25.326 33.274 1.00 4.25 N ATOM 418 CA LYS A 27 17.831 25.245 33.282 1.00 4.36 C ATOM 419 C LYS A 27 17.352 23.845 32.896 1.00 4.96 C ATOM 420 O LYS A 27 16.390 23.336 33.474 1.00 4.97 O ATOM 421 CB LYS A 27 17.235 26.316 32.398 1.00 4.22 C ATOM 422 CG LYS A 27 17.448 27.701 32.962 1.00 6.15 C ATOM 423 CD LYS A 27 16.801 28.751 32.095 1.00 7.76 C ATOM 424 CE LYS A 27 17.082 30.127 32.656 1.00 8.76 C ATOM 425 NZ LYS A 27 16.528 31.215 31.813 1.00 10.35 N ATOM 426 HA LYS A 27 17.481 25.427 34.298 1.00 0.00 H ATOM 427 HB2 LYS A 27 17.702 26.261 31.415 1.00 0.00 H ATOM 428 HB3 LYS A 27 16.164 26.136 32.301 1.00 0.00 H ATOM 429 HG2 LYS A 27 17.014 27.748 33.961 1.00 0.00 H ATOM 430 HG3 LYS A 27 18.518 27.900 33.022 1.00 0.00 H ATOM 431 HD2 LYS A 27 17.203 28.683 31.084 1.00 0.00 H ATOM 432 HD3 LYS A 27 15.724 28.584 32.068 1.00 0.00 H ATOM 433 HE2 LYS A 27 18.161 30.259 32.731 1.00 0.00 H ATOM 434 HE3 LYS A 27 16.639 30.196 33.650 1.00 0.00 H ATOM 435 HZ1 LYS A 27 16.950 31.166 30.864 1.00 0.00 H ATOM 436 HZ2 LYS A 27 15.496 31.105 31.741 1.00 0.00 H ATOM 437 HZ3 LYS A 27 16.750 32.134 32.245 1.00 0.00 H ATOM 438 H LYS A 27 19.751 25.862 32.521 1.00 0.00 H ATOM 439 N ALA A 28 18.032 23.213 31.940 1.00 4.25 N ATOM 440 CA ALA A 28 17.742 21.814 31.636 1.00 4.59 C ATOM 441 C ALA A 28 17.952 20.959 32.873 1.00 4.11 C ATOM 442 O ALA A 28 17.113 20.125 33.193 1.00 4.45 O ATOM 443 CB ALA A 28 18.600 21.319 30.493 1.00 5.64 C ATOM 444 HA ALA A 28 16.699 21.736 31.328 1.00 0.00 H ATOM 445 HB1 ALA A 28 18.401 21.919 29.605 1.00 0.00 H ATOM 446 HB2 ALA A 28 19.652 21.408 30.765 1.00 0.00 H ATOM 447 HB3 ALA A 28 18.363 20.275 30.288 1.00 0.00 H ATOM 448 H ALA A 28 18.771 23.717 31.409 1.00 0.00 H ATOM 449 N ASN A 29 19.051 21.190 33.585 1.00 4.27 N ATOM 450 CA ASN A 29 19.296 20.457 34.824 1.00 4.57 C ATOM 451 C ASN A 29 18.185 20.659 35.838 1.00 4.77 C ATOM 452 O ASN A 29 17.806 19.729 36.527 1.00 4.88 O ATOM 453 CB ASN A 29 20.603 20.872 35.481 1.00 5.33 C ATOM 454 CG ASN A 29 21.826 20.443 34.750 1.00 6.95 C ATOM 455 OD1 ASN A 29 22.937 20.900 35.100 1.00 9.65 O ATOM 456 ND2 ASN A 29 21.694 19.562 33.798 1.00 6.09 N ATOM 457 HA ASN A 29 19.343 19.408 34.533 1.00 0.00 H ATOM 458 HB2 ASN A 29 20.616 21.959 35.557 1.00 0.00 H ATOM 459 HB3 ASN A 29 20.634 20.439 36.481 1.00 0.00 H ATOM 460 HD22 ASN A 29 20.749 19.211 33.542 1.00 0.00 H ATOM 461 HD21 ASN A 29 22.534 19.210 33.295 1.00 0.00 H ATOM 462 H ASN A 29 19.740 21.897 33.258 1.00 0.00 H ATOM 463 N ASP A 30 17.708 21.888 35.966 1.00 4.95 N ATOM 464 CA ASP A 30 16.627 22.174 36.875 1.00 5.75 C ATOM 465 C ASP A 30 15.395 21.345 36.513 1.00 4.74 C ATOM 466 O ASP A 30 14.787 20.727 37.375 1.00 5.23 O ATOM 467 CB ASP A 30 16.268 23.667 36.850 1.00 6.80 C ATOM 468 CG ASP A 30 17.329 24.547 37.449 1.00 10.25 C ATOM 469 OD1 ASP A 30 18.166 24.080 38.230 1.00 11.75 O ATOM 470 OD2 ASP A 30 17.323 25.736 37.095 1.00 11.82 O ATOM 471 HA ASP A 30 16.956 21.911 37.880 1.00 0.00 H ATOM 472 HB2 ASP A 30 16.114 23.968 35.814 1.00 0.00 H ATOM 473 HB3 ASP A 30 15.344 23.810 37.410 1.00 0.00 H ATOM 474 H ASP A 30 18.120 22.658 35.402 1.00 0.00 H ATOM 475 N VAL A 31 15.059 21.312 35.230 1.00 3.86 N ATOM 476 CA VAL A 31 13.917 20.537 34.786 1.00 3.68 C ATOM 477 C VAL A 31 14.142 19.047 35.080 1.00 3.78 C ATOM 478 O VAL A 31 13.259 18.378 35.615 1.00 4.17 O ATOM 479 CB VAL A 31 13.643 20.755 33.292 1.00 4.07 C ATOM 480 CG1 VAL A 31 12.602 19.773 32.811 1.00 5.30 C ATOM 481 CG2 VAL A 31 13.224 22.213 33.009 1.00 4.29 C ATOM 482 HA VAL A 31 13.041 20.878 35.338 1.00 0.00 H ATOM 483 HB VAL A 31 14.564 20.576 32.737 1.00 0.00 H ATOM 484 HG11 VAL A 31 12.964 18.757 32.966 1.00 0.00 H ATOM 485 HG12 VAL A 31 11.679 19.921 33.371 1.00 0.00 H ATOM 486 HG13 VAL A 31 12.414 19.935 31.750 1.00 0.00 H ATOM 487 HG21 VAL A 31 12.317 22.444 33.567 1.00 0.00 H ATOM 488 HG22 VAL A 31 14.024 22.886 33.319 1.00 0.00 H ATOM 489 HG23 VAL A 31 13.037 22.335 31.942 1.00 0.00 H ATOM 490 H VAL A 31 15.620 21.847 34.536 1.00 0.00 H ATOM 491 N ILE A 32 15.336 18.563 34.770 1.00 3.54 N ATOM 492 CA ILE A 32 15.643 17.171 34.977 1.00 3.66 C ATOM 493 C ILE A 32 15.522 16.810 36.465 1.00 4.17 C ATOM 494 O ILE A 32 15.041 15.746 36.811 1.00 4.25 O ATOM 495 CB ILE A 32 17.035 16.874 34.409 1.00 3.42 C ATOM 496 CG1 ILE A 32 16.993 16.940 32.867 1.00 4.19 C ATOM 497 CG2 ILE A 32 17.573 15.518 34.839 1.00 4.87 C ATOM 498 CD1 ILE A 32 18.366 17.027 32.205 1.00 5.12 C ATOM 499 HA ILE A 32 14.925 16.545 34.448 1.00 0.00 H ATOM 500 HB ILE A 32 17.708 17.632 34.809 1.00 0.00 H ATOM 501 HG12 ILE A 32 16.493 16.044 32.500 1.00 0.00 H ATOM 502 HG13 ILE A 32 16.418 17.820 32.578 1.00 0.00 H ATOM 503 HD11 ILE A 32 18.878 17.925 32.550 1.00 0.00 H ATOM 504 HD12 ILE A 32 18.953 16.148 32.472 1.00 0.00 H ATOM 505 HD13 ILE A 32 18.244 17.069 31.123 1.00 0.00 H ATOM 506 HG21 ILE A 32 17.643 15.485 35.926 1.00 0.00 H ATOM 507 HG22 ILE A 32 16.899 14.735 34.493 1.00 0.00 H ATOM 508 HG23 ILE A 32 18.561 15.366 34.405 1.00 0.00 H ATOM 509 H ILE A 32 16.060 19.195 34.373 1.00 0.00 H ATOM 510 N GLU A 33 15.916 17.729 37.335 1.00 3.90 N ATOM 511 CA GLU A 33 15.819 17.533 38.780 1.00 4.39 C ATOM 512 C GLU A 33 14.419 17.782 39.332 1.00 4.67 C ATOM 513 O GLU A 33 14.195 17.599 40.534 1.00 5.54 O ATOM 514 CB GLU A 33 16.835 18.433 39.496 1.00 5.88 C ATOM 515 CG GLU A 33 18.210 17.948 39.254 1.00 8.78 C ATOM 516 CD GLU A 33 19.310 18.866 39.717 1.00 10.87 C ATOM 517 OE1 GLU A 33 19.005 19.902 40.353 1.00 10.81 O ATOM 518 OE2 GLU A 33 20.488 18.521 39.432 1.00 12.58 O ATOM 519 HA GLU A 33 16.044 16.484 38.970 1.00 0.00 H ATOM 520 HB2 GLU A 33 16.741 19.452 39.120 1.00 0.00 H ATOM 521 HB3 GLU A 33 16.633 18.423 40.567 1.00 0.00 H ATOM 522 HG2 GLU A 33 18.327 16.996 39.771 1.00 0.00 H ATOM 523 HG3 GLU A 33 18.329 17.795 38.181 1.00 0.00 H ATOM 524 H GLU A 33 16.309 18.623 36.976 1.00 0.00 H ATOM 525 N GLY A 34 13.491 18.215 38.493 1.00 4.90 N ATOM 526 CA GLY A 34 12.111 18.392 38.896 1.00 4.91 C ATOM 527 C GLY A 34 11.764 19.765 39.427 1.00 6.36 C ATOM 528 O GLY A 34 10.723 19.920 40.038 1.00 7.65 O ATOM 529 HA3 GLY A 34 11.892 17.663 39.676 1.00 0.00 H ATOM 530 HA2 GLY A 34 11.479 18.196 38.030 1.00 0.00 H ATOM 531 H GLY A 34 13.761 18.435 37.513 1.00 0.00 H ATOM 532 N ASN A 35 12.600 20.759 39.155 1.00 5.84 N ATOM 533 CA ASN A 35 12.325 22.130 39.559 1.00 6.67 C ATOM 534 C ASN A 35 12.056 22.903 38.302 1.00 6.42 C ATOM 535 O ASN A 35 12.974 23.362 37.634 1.00 7.88 O ATOM 536 CB ASN A 35 13.494 22.648 40.348 1.00 6.82 C ATOM 537 CG ASN A 35 13.646 21.885 41.614 1.00 8.92 C ATOM 538 OD1 ASN A 35 12.674 21.728 42.352 1.00 10.24 O ATOM 539 ND2 ASN A 35 14.813 21.300 41.828 1.00 11.92 N ATOM 540 HA ASN A 35 11.456 22.220 40.211 1.00 0.00 H ATOM 541 HB2 ASN A 35 14.402 22.544 39.755 1.00 0.00 H ATOM 542 HB3 ASN A 35 13.332 23.701 40.580 1.00 0.00 H ATOM 543 HD22 ASN A 35 15.605 21.465 41.174 1.00 0.00 H ATOM 544 HD21 ASN A 35 14.939 20.675 42.650 1.00 0.00 H ATOM 545 H ASN A 35 13.478 20.552 38.638 1.00 0.00 H ATOM 546 N ILE A 36 10.778 22.968 37.950 1.00 6.82 N ATOM 547 CA ILE A 36 10.353 23.530 36.670 1.00 6.99 C ATOM 548 C ILE A 36 9.948 24.983 36.838 1.00 7.18 C ATOM 549 O ILE A 36 9.006 25.285 37.552 1.00 8.14 O ATOM 550 CB ILE A 36 9.128 22.800 36.063 1.00 6.96 C ATOM 551 CG1 ILE A 36 9.249 21.292 36.241 1.00 7.22 C ATOM 552 CG2 ILE A 36 8.986 23.162 34.591 1.00 7.18 C ATOM 553 CD1 ILE A 36 10.609 20.755 35.912 1.00 7.61 C ATOM 554 HA ILE A 36 11.209 23.416 36.005 1.00 0.00 H ATOM 555 HB ILE A 36 8.232 23.124 36.592 1.00 0.00 H ATOM 556 HG12 ILE A 36 9.024 21.048 37.279 1.00 0.00 H ATOM 557 HG13 ILE A 36 8.521 20.809 35.590 1.00 0.00 H ATOM 558 HD11 ILE A 36 10.845 20.980 34.872 1.00 0.00 H ATOM 559 HD12 ILE A 36 11.349 21.220 36.563 1.00 0.00 H ATOM 560 HD13 ILE A 36 10.618 19.675 36.063 1.00 0.00 H ATOM 561 HG21 ILE A 36 8.848 24.239 34.495 1.00 0.00 H ATOM 562 HG22 ILE A 36 9.886 22.861 34.056 1.00 0.00 H ATOM 563 HG23 ILE A 36 8.123 22.645 34.173 1.00 0.00 H ATOM 564 H ILE A 36 10.056 22.607 38.606 1.00 0.00 H ATOM 565 N ASP A 37 10.653 25.892 36.174 1.00 6.71 N ATOM 566 CA ASP A 37 10.268 27.300 36.151 1.00 7.76 C ATOM 567 C ASP A 37 9.243 27.395 35.022 1.00 6.53 C ATOM 568 O ASP A 37 9.589 27.564 33.849 1.00 6.83 O ATOM 569 CB ASP A 37 11.494 28.167 35.900 1.00 8.90 C ATOM 570 CG ASP A 37 11.166 29.640 35.819 1.00 12.43 C ATOM 571 OD1 ASP A 37 12.114 30.431 35.678 1.00 17.35 O ATOM 572 OD2 ASP A 37 9.972 30.001 35.877 1.00 15.76 O ATOM 573 HA ASP A 37 9.846 27.653 37.092 1.00 0.00 H ATOM 574 HB2 ASP A 37 12.202 28.012 36.714 1.00 0.00 H ATOM 575 HB3 ASP A 37 11.951 27.860 34.959 1.00 0.00 H ATOM 576 H ASP A 37 11.503 25.592 35.656 1.00 0.00 H ATOM 577 N VAL A 38 7.976 27.230 35.379 1.00 6.41 N ATOM 578 CA VAL A 38 6.962 26.963 34.362 1.00 7.05 C ATOM 579 C VAL A 38 6.763 28.123 33.383 1.00 6.24 C ATOM 580 O VAL A 38 6.378 27.884 32.241 1.00 6.18 O ATOM 581 CB VAL A 38 5.597 26.549 34.962 1.00 7.37 C ATOM 582 CG1 VAL A 38 5.711 25.230 35.721 1.00 7.70 C ATOM 583 CG2 VAL A 38 5.005 27.644 35.857 1.00 8.99 C ATOM 584 HA VAL A 38 7.362 26.117 33.803 1.00 0.00 H ATOM 585 HB VAL A 38 4.910 26.408 34.127 1.00 0.00 H ATOM 586 HG11 VAL A 38 6.046 24.448 35.040 1.00 0.00 H ATOM 587 HG12 VAL A 38 6.431 25.340 36.532 1.00 0.00 H ATOM 588 HG13 VAL A 38 4.737 24.963 36.132 1.00 0.00 H ATOM 589 HG21 VAL A 38 5.690 27.849 36.680 1.00 0.00 H ATOM 590 HG22 VAL A 38 4.858 28.551 35.270 1.00 0.00 H ATOM 591 HG23 VAL A 38 4.048 27.308 36.255 1.00 0.00 H ATOM 592 H VAL A 38 7.705 27.291 36.381 1.00 0.00 H ATOM 593 N GLU A 39 7.105 29.345 33.807 1.00 7.36 N ATOM 594 CA GLU A 39 6.915 30.546 32.985 1.00 8.09 C ATOM 595 C GLU A 39 8.064 30.821 32.016 1.00 8.31 C ATOM 596 O GLU A 39 7.949 31.678 31.161 1.00 8.90 O ATOM 597 CB GLU A 39 6.730 31.770 33.890 1.00 9.22 C ATOM 598 CG GLU A 39 5.515 31.705 34.819 1.00 11.94 C ATOM 599 CD GLU A 39 4.181 31.766 34.098 1.00 15.20 C ATOM 600 OE1 GLU A 39 4.125 32.304 32.970 1.00 16.43 O ATOM 601 OE2 GLU A 39 3.174 31.291 34.676 1.00 17.50 O ATOM 602 HA GLU A 39 6.026 30.359 32.382 1.00 0.00 H ATOM 603 HB2 GLU A 39 7.623 31.874 34.506 1.00 0.00 H ATOM 604 HB3 GLU A 39 6.624 32.649 33.254 1.00 0.00 H ATOM 605 HG2 GLU A 39 5.560 30.770 35.378 1.00 0.00 H ATOM 606 HG3 GLU A 39 5.568 32.544 35.513 1.00 0.00 H ATOM 607 H GLU A 39 7.521 29.448 34.755 1.00 0.00 H ATOM 608 N ASP A 40 9.169 30.092 32.142 1.00 7.57 N ATOM 609 CA ASP A 40 10.366 30.358 31.354 1.00 7.66 C ATOM 610 C ASP A 40 10.165 29.781 29.952 1.00 7.19 C ATOM 611 O ASP A 40 9.830 28.593 29.789 1.00 6.32 O ATOM 612 CB ASP A 40 11.571 29.774 32.090 1.00 7.80 C ATOM 613 CG ASP A 40 12.884 29.962 31.362 1.00 8.48 C ATOM 614 OD1 ASP A 40 13.769 30.682 31.903 1.00 11.79 O ATOM 615 OD2 ASP A 40 13.044 29.383 30.272 1.00 7.91 O ATOM 616 HA ASP A 40 10.552 31.425 31.234 1.00 0.00 H ATOM 617 HB2 ASP A 40 11.646 30.257 33.064 1.00 0.00 H ATOM 618 HB3 ASP A 40 11.405 28.706 32.228 1.00 0.00 H ATOM 619 H ASP A 40 9.179 29.307 32.824 1.00 0.00 H ATOM 620 N LYS A 41 10.338 30.604 28.928 1.00 7.35 N ATOM 621 CA LYS A 41 10.044 30.199 27.551 1.00 7.28 C ATOM 622 C LYS A 41 10.837 28.977 27.105 1.00 6.20 C ATOM 623 O LYS A 41 10.270 28.055 26.543 1.00 5.90 O ATOM 624 CB LYS A 41 10.282 31.344 26.546 1.00 8.49 C ATOM 625 CG LYS A 41 10.088 30.969 25.039 1.00 11.60 C ATOM 626 CD LYS A 41 10.529 32.090 24.088 1.00 15.65 C ATOM 627 CE LYS A 41 10.588 31.642 22.616 1.00 17.24 C ATOM 628 NZ LYS A 41 9.258 31.503 21.967 1.00 19.19 N ATOM 629 HA LYS A 41 8.986 29.937 27.557 1.00 0.00 H ATOM 630 HB2 LYS A 41 9.588 32.150 26.784 1.00 0.00 H ATOM 631 HB3 LYS A 41 11.305 31.698 26.675 1.00 0.00 H ATOM 632 HG2 LYS A 41 10.676 30.077 24.823 1.00 0.00 H ATOM 633 HG3 LYS A 41 9.033 30.759 24.865 1.00 0.00 H ATOM 634 HD2 LYS A 41 9.822 32.915 24.172 1.00 0.00 H ATOM 635 HD3 LYS A 41 11.520 32.430 24.388 1.00 0.00 H ATOM 636 HE2 LYS A 41 11.092 30.677 22.572 1.00 0.00 H ATOM 637 HE3 LYS A 41 11.166 32.378 22.057 1.00 0.00 H ATOM 638 HZ1 LYS A 41 8.696 30.794 22.480 1.00 0.00 H ATOM 639 HZ2 LYS A 41 8.766 32.419 21.988 1.00 0.00 H ATOM 640 HZ3 LYS A 41 9.385 31.199 20.981 1.00 0.00 H ATOM 641 H LYS A 41 10.693 31.565 29.107 1.00 0.00 H ATOM 642 N LYS A 42 12.153 28.970 27.307 1.00 5.95 N ATOM 643 CA LYS A 42 12.930 27.821 26.842 1.00 5.74 C ATOM 644 C LYS A 42 12.661 26.613 27.714 1.00 5.19 C ATOM 645 O LYS A 42 12.731 25.511 27.220 1.00 5.47 O ATOM 646 CB LYS A 42 14.414 28.134 26.674 1.00 6.03 C ATOM 647 CG LYS A 42 14.687 28.925 25.396 1.00 5.95 C ATOM 648 CD LYS A 42 16.117 29.367 25.241 1.00 4.47 C ATOM 649 CE LYS A 42 16.332 29.977 23.870 1.00 4.69 C ATOM 650 NZ LYS A 42 17.635 30.673 23.763 1.00 9.39 N ATOM 651 HA LYS A 42 12.591 27.574 25.836 1.00 0.00 H ATOM 652 HB2 LYS A 42 14.750 28.719 27.530 1.00 0.00 H ATOM 653 HB3 LYS A 42 14.970 27.197 26.635 1.00 0.00 H ATOM 654 HG2 LYS A 42 14.428 28.298 24.543 1.00 0.00 H ATOM 655 HG3 LYS A 42 14.053 29.812 25.400 1.00 0.00 H ATOM 656 HD2 LYS A 42 16.350 30.108 26.006 1.00 0.00 H ATOM 657 HD3 LYS A 42 16.775 28.506 25.359 1.00 0.00 H ATOM 658 HE2 LYS A 42 15.534 30.694 23.676 1.00 0.00 H ATOM 659 HE3 LYS A 42 16.296 29.184 23.123 1.00 0.00 H ATOM 660 HZ1 LYS A 42 17.677 31.438 24.467 1.00 0.00 H ATOM 661 HZ2 LYS A 42 18.404 29.995 23.939 1.00 0.00 H ATOM 662 HZ3 LYS A 42 17.736 31.073 22.808 1.00 0.00 H ATOM 663 H LYS A 42 12.620 29.766 27.786 1.00 0.00 H ATOM 664 N VAL A 43 12.357 26.800 28.988 1.00 4.57 N ATOM 665 CA VAL A 43 11.929 25.672 29.824 1.00 4.84 C ATOM 666 C VAL A 43 10.669 25.056 29.234 1.00 4.00 C ATOM 667 O VAL A 43 10.565 23.840 29.114 1.00 3.82 O ATOM 668 CB VAL A 43 11.708 26.078 31.295 1.00 5.01 C ATOM 669 CG1 VAL A 43 10.943 25.022 32.052 1.00 5.41 C ATOM 670 CG2 VAL A 43 13.051 26.342 31.973 1.00 5.92 C ATOM 671 HA VAL A 43 12.730 24.933 29.828 1.00 0.00 H ATOM 672 HB VAL A 43 11.113 26.991 31.304 1.00 0.00 H ATOM 673 HG11 VAL A 43 9.969 24.875 31.584 1.00 0.00 H ATOM 674 HG12 VAL A 43 11.502 24.086 32.032 1.00 0.00 H ATOM 675 HG13 VAL A 43 10.807 25.344 33.084 1.00 0.00 H ATOM 676 HG21 VAL A 43 13.658 25.438 31.938 1.00 0.00 H ATOM 677 HG22 VAL A 43 13.567 27.148 31.452 1.00 0.00 H ATOM 678 HG23 VAL A 43 12.882 26.628 33.011 1.00 0.00 H ATOM 679 H VAL A 43 12.422 27.753 29.400 1.00 0.00 H ATOM 680 N GLN A 44 9.706 25.891 28.876 1.00 3.79 N ATOM 681 CA GLN A 44 8.490 25.409 28.240 1.00 3.60 C ATOM 682 C GLN A 44 8.805 24.633 26.978 1.00 3.52 C ATOM 683 O GLN A 44 8.268 23.561 26.755 1.00 3.46 O ATOM 684 CB GLN A 44 7.562 26.562 27.875 1.00 4.02 C ATOM 685 CG GLN A 44 6.956 27.201 29.079 1.00 4.62 C ATOM 686 CD GLN A 44 6.299 28.517 28.783 1.00 5.01 C ATOM 687 OE1 GLN A 44 6.276 28.952 27.649 1.00 6.56 O ATOM 688 NE2 GLN A 44 5.779 29.160 29.810 1.00 6.80 N ATOM 689 HA GLN A 44 7.997 24.757 28.960 1.00 0.00 H ATOM 690 HB2 GLN A 44 8.133 27.313 27.329 1.00 0.00 H ATOM 691 HB3 GLN A 44 6.762 26.182 27.239 1.00 0.00 H ATOM 692 HG2 GLN A 44 6.207 26.524 29.490 1.00 0.00 H ATOM 693 HG3 GLN A 44 7.741 27.364 29.817 1.00 0.00 H ATOM 694 HE22 GLN A 44 5.825 28.743 30.762 1.00 0.00 H ATOM 695 HE21 GLN A 44 5.323 30.084 29.668 1.00 0.00 H ATOM 696 H GLN A 44 9.821 26.909 29.053 1.00 0.00 H ATOM 697 N LEU A 45 9.656 25.197 26.127 1.00 3.46 N ATOM 698 CA LEU A 45 10.000 24.539 24.883 1.00 3.52 C ATOM 699 C LEU A 45 10.708 23.210 25.142 1.00 3.17 C ATOM 700 O LEU A 45 10.483 22.235 24.444 1.00 3.57 O ATOM 701 CB LEU A 45 10.896 25.433 24.026 1.00 4.33 C ATOM 702 CG LEU A 45 10.223 26.675 23.441 1.00 5.63 C ATOM 703 CD1 LEU A 45 11.257 27.613 22.838 1.00 7.37 C ATOM 704 CD2 LEU A 45 9.199 26.236 22.406 1.00 7.69 C ATOM 705 HA LEU A 45 9.070 24.345 24.348 1.00 0.00 H ATOM 706 HB2 LEU A 45 11.731 25.763 24.644 1.00 0.00 H ATOM 707 HB3 LEU A 45 11.274 24.834 23.197 1.00 0.00 H ATOM 708 HG LEU A 45 9.714 27.226 24.232 1.00 0.00 H ATOM 709 HD21 LEU A 45 9.700 25.679 21.614 1.00 0.00 H ATOM 710 HD22 LEU A 45 8.452 25.600 22.882 1.00 0.00 H ATOM 711 HD23 LEU A 45 8.713 27.115 21.982 1.00 0.00 H ATOM 712 HD11 LEU A 45 11.959 27.923 23.612 1.00 0.00 H ATOM 713 HD12 LEU A 45 11.795 27.096 22.044 1.00 0.00 H ATOM 714 HD13 LEU A 45 10.755 28.489 22.428 1.00 0.00 H ATOM 715 H LEU A 45 10.079 26.119 26.356 1.00 0.00 H ATOM 716 N TYR A 46 11.599 23.182 26.125 1.00 3.48 N ATOM 717 CA TYR A 46 12.295 21.949 26.470 1.00 3.20 C ATOM 718 C TYR A 46 11.331 20.879 26.960 1.00 2.88 C ATOM 719 O TYR A 46 11.400 19.739 26.530 1.00 3.58 O ATOM 720 CB TYR A 46 13.363 22.294 27.494 1.00 3.33 C ATOM 721 CG TYR A 46 14.227 21.164 27.956 1.00 3.47 C ATOM 722 CD1 TYR A 46 15.262 20.687 27.168 1.00 4.26 C ATOM 723 CD2 TYR A 46 14.082 20.629 29.210 1.00 3.60 C ATOM 724 CE1 TYR A 46 16.118 19.685 27.622 1.00 3.70 C ATOM 725 CE2 TYR A 46 14.913 19.656 29.668 1.00 4.39 C ATOM 726 CZ TYR A 46 15.917 19.186 28.890 1.00 3.66 C ATOM 727 OH TYR A 46 16.743 18.208 29.389 1.00 5.11 O ATOM 728 HA TYR A 46 12.769 21.519 25.588 1.00 0.00 H ATOM 729 HB3 TYR A 46 12.863 22.709 28.369 1.00 0.00 H ATOM 730 HB2 TYR A 46 14.013 23.051 27.055 1.00 0.00 H ATOM 731 HD2 TYR A 46 13.282 20.992 29.855 1.00 0.00 H ATOM 732 HE2 TYR A 46 14.770 19.251 30.670 1.00 0.00 H ATOM 733 HE1 TYR A 46 16.923 19.307 26.992 1.00 0.00 H ATOM 734 HD1 TYR A 46 15.410 21.104 26.172 1.00 0.00 H ATOM 735 HH TYR A 46 17.421 17.971 28.708 1.00 0.00 H ATOM 736 H TYR A 46 11.803 24.052 26.657 1.00 0.00 H ATOM 737 N CYS A 47 10.439 21.270 27.856 1.00 3.07 N ATOM 738 CA CYS A 47 9.413 20.348 28.334 1.00 3.22 C ATOM 739 C CYS A 47 8.538 19.841 27.214 1.00 3.68 C ATOM 740 O CYS A 47 8.276 18.654 27.113 1.00 4.05 O ATOM 741 CB CYS A 47 8.569 21.036 29.394 1.00 3.17 C ATOM 742 SG CYS A 47 9.420 21.309 30.948 1.00 4.36 S ATOM 743 HA CYS A 47 9.914 19.481 28.765 1.00 0.00 H ATOM 744 HB2 CYS A 47 7.693 20.418 29.588 1.00 0.00 H ATOM 745 HB3 CYS A 47 8.251 22.003 29.004 1.00 0.00 H ATOM 746 HG CYS A 47 10.527 22.105 30.731 1.00 0.00 H ATOM 747 H CYS A 47 10.469 22.243 28.223 1.00 0.00 H ATOM 748 N GLU A 48 8.106 20.747 26.352 1.00 3.51 N ATOM 749 CA GLU A 48 7.299 20.388 25.213 1.00 3.57 C ATOM 750 C GLU A 48 8.024 19.392 24.319 1.00 3.40 C ATOM 751 O GLU A 48 7.441 18.424 23.850 1.00 4.31 O ATOM 752 CB GLU A 48 6.904 21.645 24.423 1.00 4.07 C ATOM 753 CG GLU A 48 6.099 21.365 23.171 1.00 4.84 C ATOM 754 CD GLU A 48 5.927 22.562 22.295 1.00 6.53 C ATOM 755 OE1 GLU A 48 6.878 23.331 22.090 1.00 7.19 O ATOM 756 OE2 GLU A 48 4.804 22.722 21.810 1.00 8.51 O ATOM 757 HA GLU A 48 6.391 19.907 25.576 1.00 0.00 H ATOM 758 HB2 GLU A 48 6.311 22.286 25.075 1.00 0.00 H ATOM 759 HB3 GLU A 48 7.816 22.168 24.134 1.00 0.00 H ATOM 760 HG2 GLU A 48 6.608 20.589 22.599 1.00 0.00 H ATOM 761 HG3 GLU A 48 5.112 21.009 23.467 1.00 0.00 H ATOM 762 H GLU A 48 8.356 21.746 26.500 1.00 0.00 H ATOM 763 N CYS A 49 9.298 19.637 24.074 1.00 3.44 N ATOM 764 CA CYS A 49 10.082 18.802 23.205 1.00 3.46 C ATOM 765 C CYS A 49 10.202 17.390 23.769 1.00 3.76 C ATOM 766 O CYS A 49 10.052 16.404 23.044 1.00 4.07 O ATOM 767 CB CYS A 49 11.459 19.441 23.005 1.00 4.03 C ATOM 768 SG CYS A 49 12.603 18.480 22.014 1.00 4.35 S ATOM 769 HA CYS A 49 9.586 18.719 22.238 1.00 0.00 H ATOM 770 HB2 CYS A 49 11.907 19.594 23.987 1.00 0.00 H ATOM 771 HB3 CYS A 49 11.317 20.406 22.518 1.00 0.00 H ATOM 772 H CYS A 49 9.748 20.460 24.524 1.00 0.00 H ATOM 773 N ILE A 50 10.466 17.274 25.058 1.00 3.67 N ATOM 774 CA ILE A 50 10.605 15.957 25.647 1.00 4.15 C ATOM 775 C ILE A 50 9.268 15.224 25.565 1.00 4.67 C ATOM 776 O ILE A 50 9.216 14.066 25.167 1.00 4.86 O ATOM 777 CB ILE A 50 11.148 16.083 27.058 1.00 4.29 C ATOM 778 CG1 ILE A 50 12.661 16.347 26.987 1.00 2.96 C ATOM 779 CG2 ILE A 50 10.823 14.856 27.910 1.00 5.24 C ATOM 780 CD1 ILE A 50 13.216 16.726 28.332 1.00 3.02 C ATOM 781 HA ILE A 50 11.327 15.355 25.094 1.00 0.00 H ATOM 782 HB ILE A 50 10.661 16.924 27.551 1.00 0.00 H ATOM 783 HG12 ILE A 50 13.163 15.445 26.638 1.00 0.00 H ATOM 784 HG13 ILE A 50 12.847 17.160 26.285 1.00 0.00 H ATOM 785 HD11 ILE A 50 12.723 17.632 28.685 1.00 0.00 H ATOM 786 HD12 ILE A 50 13.039 15.915 29.038 1.00 0.00 H ATOM 787 HD13 ILE A 50 14.288 16.905 28.244 1.00 0.00 H ATOM 788 HG21 ILE A 50 9.742 14.734 27.971 1.00 0.00 H ATOM 789 HG22 ILE A 50 11.265 13.971 27.453 1.00 0.00 H ATOM 790 HG23 ILE A 50 11.232 14.992 28.911 1.00 0.00 H ATOM 791 H ILE A 50 10.574 18.124 25.648 1.00 0.00 H ATOM 792 N LEU A 51 8.175 15.916 25.879 1.00 5.04 N ATOM 793 CA LEU A 51 6.865 15.290 25.794 1.00 5.13 C ATOM 794 C LEU A 51 6.517 14.870 24.380 1.00 5.42 C ATOM 795 O LEU A 51 5.971 13.785 24.171 1.00 6.25 O ATOM 796 CB LEU A 51 5.788 16.225 26.295 1.00 5.38 C ATOM 797 CG LEU A 51 5.826 16.483 27.794 1.00 6.90 C ATOM 798 CD1 LEU A 51 4.938 17.676 28.129 1.00 8.05 C ATOM 799 CD2 LEU A 51 5.374 15.279 28.593 1.00 10.35 C ATOM 800 HA LEU A 51 6.913 14.399 26.421 1.00 0.00 H ATOM 801 HB2 LEU A 51 5.900 17.180 25.782 1.00 0.00 H ATOM 802 HB3 LEU A 51 4.819 15.792 26.048 1.00 0.00 H ATOM 803 HG LEU A 51 6.861 16.691 28.066 1.00 0.00 H ATOM 804 HD21 LEU A 51 4.350 15.026 28.318 1.00 0.00 H ATOM 805 HD22 LEU A 51 6.029 14.435 28.377 1.00 0.00 H ATOM 806 HD23 LEU A 51 5.419 15.513 29.657 1.00 0.00 H ATOM 807 HD11 LEU A 51 5.300 18.557 27.599 1.00 0.00 H ATOM 808 HD12 LEU A 51 3.914 17.462 27.823 1.00 0.00 H ATOM 809 HD13 LEU A 51 4.967 17.859 29.203 1.00 0.00 H ATOM 810 H LEU A 51 8.258 16.906 26.186 1.00 0.00 H ATOM 811 N LYS A 52 6.785 15.713 23.399 1.00 4.78 N ATOM 812 CA LYS A 52 6.517 15.363 21.999 1.00 5.50 C ATOM 813 C LYS A 52 7.390 14.211 21.527 1.00 5.61 C ATOM 814 O LYS A 52 6.915 13.344 20.772 1.00 6.39 O ATOM 815 CB LYS A 52 6.691 16.560 21.081 1.00 5.59 C ATOM 816 CG LYS A 52 5.532 17.551 21.148 1.00 6.17 C ATOM 817 CD LYS A 52 5.645 18.669 20.129 1.00 7.93 C ATOM 818 CE LYS A 52 4.458 19.586 20.282 1.00 9.16 C ATOM 819 NZ LYS A 52 4.477 20.723 19.321 1.00 12.09 N ATOM 820 HA LYS A 52 5.476 15.042 21.953 1.00 0.00 H ATOM 821 HB2 LYS A 52 7.607 17.080 21.361 1.00 0.00 H ATOM 822 HB3 LYS A 52 6.779 16.200 20.056 1.00 0.00 H ATOM 823 HG2 LYS A 52 4.602 17.011 20.969 1.00 0.00 H ATOM 824 HG3 LYS A 52 5.509 17.991 22.145 1.00 0.00 H ATOM 825 HD2 LYS A 52 6.565 19.228 20.299 1.00 0.00 H ATOM 826 HD3 LYS A 52 5.657 18.249 19.123 1.00 0.00 H ATOM 827 HE2 LYS A 52 4.456 19.987 21.296 1.00 0.00 H ATOM 828 HE3 LYS A 52 3.548 19.008 20.120 1.00 0.00 H ATOM 829 HZ1 LYS A 52 5.337 21.289 19.472 1.00 0.00 H ATOM 830 HZ2 LYS A 52 4.470 20.354 18.349 1.00 0.00 H ATOM 831 HZ3 LYS A 52 3.638 21.318 19.473 1.00 0.00 H ATOM 832 H LYS A 52 7.194 16.643 23.623 1.00 0.00 H ATOM 833 N ASN A 53 8.648 14.159 21.960 1.00 5.72 N ATOM 834 CA ASN A 53 9.527 13.088 21.500 1.00 6.49 C ATOM 835 C ASN A 53 9.167 11.740 22.085 1.00 7.35 C ATOM 836 O ASN A 53 9.500 10.710 21.507 1.00 8.22 O ATOM 837 CB ASN A 53 10.983 13.423 21.768 1.00 6.80 C ATOM 838 CG ASN A 53 11.492 14.541 20.869 1.00 6.62 C ATOM 839 OD1 ASN A 53 10.724 15.139 20.100 1.00 9.64 O ATOM 840 ND2 ASN A 53 12.777 14.847 20.977 1.00 5.89 N ATOM 841 HA ASN A 53 9.381 13.010 20.423 1.00 0.00 H ATOM 842 HB2 ASN A 53 11.086 13.734 22.808 1.00 0.00 H ATOM 843 HB3 ASN A 53 11.586 12.532 21.595 1.00 0.00 H ATOM 844 HD22 ASN A 53 13.384 14.318 21.635 1.00 0.00 H ATOM 845 HD21 ASN A 53 13.178 15.616 20.403 1.00 0.00 H ATOM 846 H ASN A 53 9.003 14.878 22.623 1.00 0.00 H ATOM 847 N PHE A 54 8.475 11.754 23.217 1.00 7.03 N ATOM 848 CA PHE A 54 7.864 10.551 23.787 1.00 8.11 C ATOM 849 C PHE A 54 6.435 10.326 23.273 1.00 8.96 C ATOM 850 O PHE A 54 5.774 9.381 23.698 1.00 10.55 O ATOM 851 CB PHE A 54 7.869 10.640 25.323 1.00 7.64 C ATOM 852 CG PHE A 54 9.157 10.196 25.962 1.00 7.24 C ATOM 853 CD1 PHE A 54 9.353 8.869 26.298 1.00 7.49 C ATOM 854 CD2 PHE A 54 10.166 11.097 26.249 1.00 8.95 C ATOM 855 CE1 PHE A 54 10.527 8.461 26.884 1.00 6.81 C ATOM 856 CE2 PHE A 54 11.344 10.686 26.840 1.00 7.60 C ATOM 857 CZ PHE A 54 11.513 9.360 27.163 1.00 6.11 C ATOM 858 HA PHE A 54 8.460 9.696 23.467 1.00 0.00 H ATOM 859 HB2 PHE A 54 7.686 11.676 25.606 1.00 0.00 H ATOM 860 HB3 PHE A 54 7.064 10.013 25.705 1.00 0.00 H ATOM 861 HD2 PHE A 54 10.029 12.150 26.004 1.00 0.00 H ATOM 862 HE2 PHE A 54 12.134 11.407 27.049 1.00 0.00 H ATOM 863 HZ PHE A 54 12.434 9.028 27.642 1.00 0.00 H ATOM 864 HE1 PHE A 54 10.671 7.409 27.128 1.00 0.00 H ATOM 865 HD1 PHE A 54 8.569 8.140 26.096 1.00 0.00 H ATOM 866 H PHE A 54 8.362 12.657 23.721 1.00 0.00 H ATOM 867 N ASN A 55 5.967 11.175 22.360 1.00 9.13 N ATOM 868 CA ASN A 55 4.631 11.058 21.750 1.00 9.30 C ATOM 869 C ASN A 55 3.483 11.233 22.740 1.00 9.18 C ATOM 870 O ASN A 55 2.344 10.882 22.450 1.00 9.44 O ATOM 871 CB ASN A 55 4.530 9.782 20.897 1.00 9.84 C ATOM 872 CG ASN A 55 5.584 9.770 19.814 1.00 12.17 C ATOM 873 OD1 ASN A 55 5.623 10.685 18.984 1.00 13.47 O ATOM 874 ND2 ASN A 55 6.486 8.793 19.854 1.00 14.14 N ATOM 875 HA ASN A 55 4.513 11.904 21.073 1.00 0.00 H ATOM 876 HB2 ASN A 55 4.668 8.912 21.539 1.00 0.00 H ATOM 877 HB3 ASN A 55 3.544 9.739 20.435 1.00 0.00 H ATOM 878 HD22 ASN A 55 6.410 8.045 20.572 1.00 0.00 H ATOM 879 HD21 ASN A 55 7.267 8.778 19.167 1.00 0.00 H ATOM 880 H ASN A 55 6.577 11.963 22.062 1.00 0.00 H ATOM 881 N ILE A 56 3.788 11.869 23.870 1.00 9.16 N ATOM 882 CA ILE A 56 2.815 12.193 24.903 1.00 9.69 C ATOM 883 C ILE A 56 2.044 13.459 24.552 1.00 9.31 C ATOM 884 O ILE A 56 0.896 13.629 24.935 1.00 9.94 O ATOM 885 CB ILE A 56 3.510 12.331 26.247 1.00 10.24 C ATOM 886 CG1 ILE A 56 4.036 10.972 26.701 1.00 12.42 C ATOM 887 CG2 ILE A 56 2.596 12.910 27.293 1.00 11.01 C ATOM 888 CD1 ILE A 56 4.928 11.043 27.904 1.00 14.11 C ATOM 889 HA ILE A 56 2.093 11.379 24.968 1.00 0.00 H ATOM 890 HB ILE A 56 4.344 13.022 26.122 1.00 0.00 H ATOM 891 HG12 ILE A 56 3.184 10.335 26.941 1.00 0.00 H ATOM 892 HG13 ILE A 56 4.599 10.529 25.880 1.00 0.00 H ATOM 893 HD11 ILE A 56 5.792 11.667 27.678 1.00 0.00 H ATOM 894 HD12 ILE A 56 4.376 11.474 28.739 1.00 0.00 H ATOM 895 HD13 ILE A 56 5.262 10.039 28.167 1.00 0.00 H ATOM 896 HG21 ILE A 56 2.264 13.899 26.976 1.00 0.00 H ATOM 897 HG22 ILE A 56 1.732 12.258 27.420 1.00 0.00 H ATOM 898 HG23 ILE A 56 3.133 12.991 28.238 1.00 0.00 H ATOM 899 H ILE A 56 4.778 12.150 24.023 1.00 0.00 H ATOM 900 N LEU A 57 2.686 14.347 23.821 1.00 8.34 N ATOM 901 CA LEU A 57 1.987 15.384 23.089 1.00 7.69 C ATOM 902 C LEU A 57 2.134 15.036 21.626 1.00 8.08 C ATOM 903 O LEU A 57 3.238 14.689 21.189 1.00 8.28 O ATOM 904 CB LEU A 57 2.597 16.763 23.328 1.00 7.84 C ATOM 905 CG LEU A 57 2.430 17.357 24.723 1.00 8.11 C ATOM 906 CD1 LEU A 57 3.279 18.600 24.863 1.00 8.72 C ATOM 907 CD2 LEU A 57 0.980 17.705 24.988 1.00 9.51 C ATOM 908 HA LEU A 57 0.948 15.429 23.414 1.00 0.00 H ATOM 909 HB2 LEU A 57 3.666 16.691 23.126 1.00 0.00 H ATOM 910 HB3 LEU A 57 2.140 17.453 22.619 1.00 0.00 H ATOM 911 HG LEU A 57 2.752 16.612 25.451 1.00 0.00 H ATOM 912 HD21 LEU A 57 0.642 18.434 24.252 1.00 0.00 H ATOM 913 HD22 LEU A 57 0.372 16.803 24.914 1.00 0.00 H ATOM 914 HD23 LEU A 57 0.886 18.127 25.989 1.00 0.00 H ATOM 915 HD11 LEU A 57 4.326 18.343 24.706 1.00 0.00 H ATOM 916 HD12 LEU A 57 2.969 19.336 24.121 1.00 0.00 H ATOM 917 HD13 LEU A 57 3.151 19.015 25.863 1.00 0.00 H ATOM 918 H LEU A 57 3.724 14.303 23.768 1.00 0.00 H ATOM 919 N ASP A 58 1.053 15.131 20.853 1.00 8.02 N ATOM 920 CA ASP A 58 1.205 14.974 19.418 1.00 8.24 C ATOM 921 C ASP A 58 1.725 16.298 18.864 1.00 8.06 C ATOM 922 O ASP A 58 2.003 17.238 19.613 1.00 7.72 O ATOM 923 CB ASP A 58 -0.079 14.452 18.736 1.00 8.67 C ATOM 924 CG ASP A 58 -1.139 15.509 18.495 1.00 9.58 C ATOM 925 OD1 ASP A 58 -0.970 16.684 18.843 1.00 9.49 O ATOM 926 OD2 ASP A 58 -2.183 15.130 17.925 1.00 11.46 O ATOM 927 HA ASP A 58 1.933 14.194 19.193 1.00 0.00 H ATOM 928 HB2 ASP A 58 0.198 14.022 17.774 1.00 0.00 H ATOM 929 HB3 ASP A 58 -0.510 13.676 19.369 1.00 0.00 H ATOM 930 H ASP A 58 0.118 15.314 21.270 1.00 0.00 H ATOM 931 N LYS A 59 1.925 16.350 17.559 1.00 8.58 N ATOM 932 CA LYS A 59 2.564 17.509 16.943 1.00 9.66 C ATOM 933 C LYS A 59 1.753 18.789 17.126 1.00 10.04 C ATOM 934 O LYS A 59 2.311 19.875 17.104 1.00 11.38 O ATOM 935 CB LYS A 59 2.853 17.258 15.466 1.00 10.80 C ATOM 936 CG LYS A 59 1.618 17.131 14.595 1.00 12.74 C ATOM 937 CD LYS A 59 1.996 16.840 13.151 1.00 16.28 C ATOM 938 CE LYS A 59 0.769 16.792 12.275 1.00 18.38 C ATOM 939 NZ LYS A 59 1.085 16.541 10.833 1.00 20.03 N ATOM 940 HA LYS A 59 3.512 17.655 17.461 1.00 0.00 H ATOM 941 HB2 LYS A 59 3.451 18.088 15.090 1.00 0.00 H ATOM 942 HB3 LYS A 59 3.425 16.334 15.383 1.00 0.00 H ATOM 943 HG2 LYS A 59 0.998 16.318 14.972 1.00 0.00 H ATOM 944 HG3 LYS A 59 1.056 18.064 14.635 1.00 0.00 H ATOM 945 HD2 LYS A 59 2.662 17.624 12.791 1.00 0.00 H ATOM 946 HD3 LYS A 59 2.508 15.879 13.102 1.00 0.00 H ATOM 947 HE2 LYS A 59 0.248 17.746 12.355 1.00 0.00 H ATOM 948 HE3 LYS A 59 0.119 15.993 12.632 1.00 0.00 H ATOM 949 HZ1 LYS A 59 1.698 17.302 10.476 1.00 0.00 H ATOM 950 HZ2 LYS A 59 1.574 15.628 10.740 1.00 0.00 H ATOM 951 HZ3 LYS A 59 0.202 16.519 10.284 1.00 0.00 H ATOM 952 H LYS A 59 1.623 15.554 16.962 1.00 0.00 H ATOM 953 N ASN A 60 0.442 18.641 17.308 1.00 10.15 N ATOM 954 CA ASN A 60 -0.457 19.761 17.577 1.00 10.36 C ATOM 955 C ASN A 60 -0.749 19.958 19.062 1.00 10.26 C ATOM 956 O ASN A 60 -1.704 20.641 19.418 1.00 11.67 O ATOM 957 CB ASN A 60 -1.779 19.568 16.833 1.00 10.68 C ATOM 958 CG ASN A 60 -1.611 19.480 15.329 1.00 12.93 C ATOM 959 OD1 ASN A 60 -2.275 18.678 14.673 1.00 17.04 O ATOM 960 ND2 ASN A 60 -0.757 20.313 14.777 1.00 12.91 N ATOM 961 HA ASN A 60 0.058 20.654 17.223 1.00 0.00 H ATOM 962 HB2 ASN A 60 -2.243 18.647 17.184 1.00 0.00 H ATOM 963 HB3 ASN A 60 -2.431 20.411 17.060 1.00 0.00 H ATOM 964 HD22 ASN A 60 -0.217 20.974 15.371 1.00 0.00 H ATOM 965 HD21 ASN A 60 -0.621 20.311 13.746 1.00 0.00 H ATOM 966 H ASN A 60 0.039 17.684 17.256 1.00 0.00 H ATOM 967 N ASN A 61 0.083 19.386 19.928 1.00 10.21 N ATOM 968 CA ASN A 61 -0.030 19.551 21.394 1.00 10.00 C ATOM 969 C ASN A 61 -1.265 18.919 22.000 1.00 11.04 C ATOM 970 O ASN A 61 -1.697 19.304 23.090 1.00 12.11 O ATOM 971 CB ASN A 61 0.090 21.019 21.819 1.00 10.36 C ATOM 972 CG ASN A 61 1.475 21.545 21.631 1.00 9.44 C ATOM 973 OD1 ASN A 61 2.232 21.678 22.589 1.00 12.01 O ATOM 974 ND2 ASN A 61 1.838 21.822 20.390 1.00 9.65 N ATOM 975 HA ASN A 61 0.820 19.000 21.797 1.00 0.00 H ATOM 976 HB2 ASN A 61 -0.598 21.616 21.220 1.00 0.00 H ATOM 977 HB3 ASN A 61 -0.179 21.104 22.872 1.00 0.00 H ATOM 978 HD22 ASN A 61 1.162 21.694 19.610 1.00 0.00 H ATOM 979 HD21 ASN A 61 2.799 22.168 20.194 1.00 0.00 H ATOM 980 H ASN A 61 0.852 18.793 19.556 1.00 0.00 H ATOM 981 N VAL A 62 -1.803 17.912 21.327 1.00 11.10 N ATOM 982 CA VAL A 62 -2.856 17.108 21.923 1.00 11.03 C ATOM 983 C VAL A 62 -2.204 16.153 22.898 1.00 11.21 C ATOM 984 O VAL A 62 -1.276 15.411 22.554 1.00 10.40 O ATOM 985 CB VAL A 62 -3.668 16.326 20.889 1.00 10.88 C ATOM 986 CG1 VAL A 62 -4.731 15.451 21.582 1.00 11.35 C ATOM 987 CG2 VAL A 62 -4.317 17.293 19.911 1.00 11.11 C ATOM 988 HA VAL A 62 -3.561 17.773 22.421 1.00 0.00 H ATOM 989 HB VAL A 62 -2.999 15.664 20.338 1.00 0.00 H ATOM 990 HG11 VAL A 62 -4.239 14.746 22.252 1.00 0.00 H ATOM 991 HG12 VAL A 62 -5.406 16.087 22.154 1.00 0.00 H ATOM 992 HG13 VAL A 62 -5.297 14.904 20.828 1.00 0.00 H ATOM 993 HG21 VAL A 62 -4.977 17.969 20.454 1.00 0.00 H ATOM 994 HG22 VAL A 62 -3.543 17.869 19.404 1.00 0.00 H ATOM 995 HG23 VAL A 62 -4.894 16.732 19.176 1.00 0.00 H ATOM 996 H VAL A 62 -1.469 17.696 20.366 1.00 0.00 H ATOM 997 N PHE A 63 -2.678 16.213 24.134 1.00 11.95 N ATOM 998 CA PHE A 63 -2.137 15.418 25.204 1.00 12.57 C ATOM 999 C PHE A 63 -2.691 13.991 25.163 1.00 12.00 C ATOM 1000 O PHE A 63 -3.900 13.783 25.002 1.00 12.12 O ATOM 1001 CB PHE A 63 -2.425 16.100 26.539 1.00 13.22 C ATOM 1002 CG PHE A 63 -2.075 15.270 27.728 1.00 16.10 C ATOM 1003 CD1 PHE A 63 -0.767 14.906 27.974 1.00 18.37 C ATOM 1004 CD2 PHE A 63 -3.058 14.838 28.596 1.00 18.46 C ATOM 1005 CE1 PHE A 63 -0.446 14.127 29.070 1.00 19.74 C ATOM 1006 CE2 PHE A 63 -2.741 14.058 29.685 1.00 19.86 C ATOM 1007 CZ PHE A 63 -1.436 13.710 29.928 1.00 20.11 C ATOM 1008 HA PHE A 63 -1.057 15.339 25.083 1.00 0.00 H ATOM 1009 HB2 PHE A 63 -1.850 17.025 26.584 1.00 0.00 H ATOM 1010 HB3 PHE A 63 -3.489 16.333 26.584 1.00 0.00 H ATOM 1011 HD2 PHE A 63 -4.096 15.118 28.417 1.00 0.00 H ATOM 1012 HE2 PHE A 63 -3.529 13.716 30.356 1.00 0.00 H ATOM 1013 HZ PHE A 63 -1.185 13.105 30.799 1.00 0.00 H ATOM 1014 HE1 PHE A 63 0.590 13.844 29.254 1.00 0.00 H ATOM 1015 HD1 PHE A 63 0.021 15.236 27.297 1.00 0.00 H ATOM 1016 H PHE A 63 -3.469 16.857 24.338 1.00 0.00 H ATOM 1017 N LYS A 64 -1.790 13.028 25.344 1.00 11.55 N ATOM 1018 CA LYS A 64 -2.061 11.588 25.288 1.00 12.54 C ATOM 1019 C LYS A 64 -1.725 10.938 26.629 1.00 13.16 C ATOM 1020 O LYS A 64 -0.581 10.541 26.869 1.00 13.40 O ATOM 1021 CB LYS A 64 -1.213 10.918 24.200 1.00 12.71 C ATOM 1022 CG LYS A 64 -1.285 11.536 22.838 1.00 14.46 C ATOM 1023 CD LYS A 64 -2.666 11.428 22.247 1.00 14.36 C ATOM 1024 CE LYS A 64 -2.690 12.009 20.835 1.00 14.61 C ATOM 1025 NZ LYS A 64 -1.974 11.165 19.821 1.00 14.99 N ATOM 1026 HA LYS A 64 -3.119 11.456 25.060 1.00 0.00 H ATOM 1027 HB2 LYS A 64 -0.173 10.945 24.524 1.00 0.00 H ATOM 1028 HB3 LYS A 64 -1.539 9.881 24.114 1.00 0.00 H ATOM 1029 HG2 LYS A 64 -1.015 12.589 22.913 1.00 0.00 H ATOM 1030 HG3 LYS A 64 -0.579 11.027 22.182 1.00 0.00 H ATOM 1031 HD2 LYS A 64 -2.959 10.379 22.209 1.00 0.00 H ATOM 1032 HD3 LYS A 64 -3.369 11.978 22.873 1.00 0.00 H ATOM 1033 HE2 LYS A 64 -2.219 12.992 20.859 1.00 0.00 H ATOM 1034 HE3 LYS A 64 -3.729 12.113 20.524 1.00 0.00 H ATOM 1035 HZ1 LYS A 64 -0.976 11.065 20.098 1.00 0.00 H ATOM 1036 HZ2 LYS A 64 -2.419 10.226 19.777 1.00 0.00 H ATOM 1037 HZ3 LYS A 64 -2.032 11.622 18.888 1.00 0.00 H ATOM 1038 H LYS A 64 -0.812 13.321 25.542 1.00 0.00 H ATOM 1039 N PRO A 65 -2.714 10.821 27.521 1.00 14.52 N ATOM 1040 CA PRO A 65 -2.441 10.261 28.848 1.00 15.24 C ATOM 1041 C PRO A 65 -1.807 8.873 28.824 1.00 15.54 C ATOM 1042 O PRO A 65 -0.996 8.562 29.681 1.00 15.45 O ATOM 1043 CB PRO A 65 -3.820 10.200 29.501 1.00 15.90 C ATOM 1044 CG PRO A 65 -4.664 11.172 28.761 1.00 15.91 C ATOM 1045 CD PRO A 65 -4.088 11.337 27.393 1.00 14.66 C ATOM 1046 HA PRO A 65 -1.714 10.874 29.381 1.00 0.00 H ATOM 1047 HD3 PRO A 65 -4.653 10.759 26.662 1.00 0.00 H ATOM 1048 HD2 PRO A 65 -4.082 12.386 27.098 1.00 0.00 H ATOM 1049 HG3 PRO A 65 -4.666 12.131 29.280 1.00 0.00 H ATOM 1050 HG2 PRO A 65 -5.685 10.797 28.690 1.00 0.00 H ATOM 1051 HB2 PRO A 65 -4.235 9.196 29.417 1.00 0.00 H ATOM 1052 HB3 PRO A 65 -3.754 10.478 30.553 1.00 0.00 H ATOM 1053 N GLN A 66 -2.180 8.042 27.858 1.00 15.56 N ATOM 1054 CA GLN A 66 -1.637 6.685 27.753 1.00 15.90 C ATOM 1055 C GLN A 66 -0.114 6.661 27.578 1.00 14.97 C ATOM 1056 O GLN A 66 0.549 5.727 28.018 1.00 15.42 O ATOM 1057 CB GLN A 66 -2.320 5.925 26.603 1.00 16.82 C ATOM 1058 CG GLN A 66 -1.902 4.452 26.461 1.00 20.37 C ATOM 1059 CD GLN A 66 -2.396 3.581 27.600 1.00 22.99 C ATOM 1060 OE1 GLN A 66 -3.601 3.429 27.803 1.00 26.00 O ATOM 1061 NE2 GLN A 66 -1.467 2.989 28.335 1.00 23.92 N ATOM 1062 HA GLN A 66 -1.851 6.187 28.699 1.00 0.00 H ATOM 1063 HB2 GLN A 66 -3.397 5.957 26.768 1.00 0.00 H ATOM 1064 HB3 GLN A 66 -2.081 6.436 25.670 1.00 0.00 H ATOM 1065 HG2 GLN A 66 -2.308 4.065 25.526 1.00 0.00 H ATOM 1066 HG3 GLN A 66 -0.814 4.401 26.432 1.00 0.00 H ATOM 1067 HE22 GLN A 66 -0.460 3.147 28.127 1.00 0.00 H ATOM 1068 HE21 GLN A 66 -1.744 2.366 29.121 1.00 0.00 H ATOM 1069 H GLN A 66 -2.877 8.363 27.156 1.00 0.00 H ATOM 1070 N GLY A 67 0.440 7.687 26.937 1.00 13.44 N ATOM 1071 CA GLY A 67 1.876 7.808 26.785 1.00 13.47 C ATOM 1072 C GLY A 67 2.585 7.985 28.111 1.00 12.99 C ATOM 1073 O GLY A 67 3.662 7.453 28.310 1.00 13.77 O ATOM 1074 HA3 GLY A 67 2.090 8.672 26.156 1.00 0.00 H ATOM 1075 HA2 GLY A 67 2.254 6.906 26.303 1.00 0.00 H ATOM 1076 H GLY A 67 -0.175 8.423 26.534 1.00 0.00 H ATOM 1077 N ILE A 68 1.991 8.773 29.003 1.00 11.80 N ATOM 1078 CA ILE A 68 2.519 8.936 30.350 1.00 12.26 C ATOM 1079 C ILE A 68 2.446 7.605 31.094 1.00 11.57 C ATOM 1080 O ILE A 68 3.402 7.212 31.753 1.00 10.88 O ATOM 1081 CB ILE A 68 1.726 9.982 31.178 1.00 12.77 C ATOM 1082 CG1 ILE A 68 1.931 11.383 30.637 1.00 14.65 C ATOM 1083 CG2 ILE A 68 2.146 9.942 32.655 1.00 14.79 C ATOM 1084 CD1 ILE A 68 1.192 12.438 31.445 1.00 16.36 C ATOM 1085 HA ILE A 68 3.547 9.282 30.243 1.00 0.00 H ATOM 1086 HB ILE A 68 0.670 9.724 31.096 1.00 0.00 H ATOM 1087 HG12 ILE A 68 2.997 11.612 30.656 1.00 0.00 H ATOM 1088 HG13 ILE A 68 1.572 11.416 29.608 1.00 0.00 H ATOM 1089 HD11 ILE A 68 0.123 12.225 31.426 1.00 0.00 H ATOM 1090 HD12 ILE A 68 1.549 12.421 32.475 1.00 0.00 H ATOM 1091 HD13 ILE A 68 1.376 13.421 31.011 1.00 0.00 H ATOM 1092 HG21 ILE A 68 1.949 8.950 33.061 1.00 0.00 H ATOM 1093 HG22 ILE A 68 3.210 10.164 32.735 1.00 0.00 H ATOM 1094 HG23 ILE A 68 1.576 10.684 33.214 1.00 0.00 H ATOM 1095 H ILE A 68 1.128 9.286 28.731 1.00 0.00 H ATOM 1096 N LYS A 69 1.301 6.937 31.006 1.00 12.39 N ATOM 1097 CA LYS A 69 1.087 5.662 31.678 1.00 13.34 C ATOM 1098 C LYS A 69 2.170 4.649 31.269 1.00 13.36 C ATOM 1099 O LYS A 69 2.755 3.978 32.117 1.00 13.57 O ATOM 1100 CB LYS A 69 -0.317 5.143 31.333 1.00 14.14 C ATOM 1101 CG LYS A 69 -0.998 4.225 32.310 1.00 17.28 C ATOM 1102 CD LYS A 69 -2.498 4.189 32.009 1.00 20.60 C ATOM 1103 CE LYS A 69 -3.198 3.001 32.653 1.00 23.08 C ATOM 1104 NZ LYS A 69 -2.840 1.706 31.999 1.00 25.45 N ATOM 1105 HA LYS A 69 1.159 5.800 32.757 1.00 0.00 H ATOM 1106 HB2 LYS A 69 -0.961 6.013 31.205 1.00 0.00 H ATOM 1107 HB3 LYS A 69 -0.240 4.608 30.387 1.00 0.00 H ATOM 1108 HG2 LYS A 69 -0.583 3.221 32.217 1.00 0.00 H ATOM 1109 HG3 LYS A 69 -0.839 4.590 33.325 1.00 0.00 H ATOM 1110 HD2 LYS A 69 -2.951 5.107 32.384 1.00 0.00 H ATOM 1111 HD3 LYS A 69 -2.636 4.132 30.929 1.00 0.00 H ATOM 1112 HE2 LYS A 69 -4.276 3.146 32.577 1.00 0.00 H ATOM 1113 HE3 LYS A 69 -2.912 2.954 33.704 1.00 0.00 H ATOM 1114 HZ1 LYS A 69 -3.116 1.737 30.997 1.00 0.00 H ATOM 1115 HZ2 LYS A 69 -1.814 1.554 32.073 1.00 0.00 H ATOM 1116 HZ3 LYS A 69 -3.342 0.929 32.474 1.00 0.00 H ATOM 1117 H LYS A 69 0.529 7.339 30.437 1.00 0.00 H ATOM 1118 N ALA A 70 2.449 4.562 29.975 1.00 14.14 N ATOM 1119 CA ALA A 70 3.433 3.621 29.444 1.00 14.73 C ATOM 1120 C ALA A 70 4.816 3.798 30.052 1.00 14.34 C ATOM 1121 O ALA A 70 5.470 2.821 30.401 1.00 15.99 O ATOM 1122 CB ALA A 70 3.512 3.727 27.923 1.00 15.31 C ATOM 1123 HA ALA A 70 3.088 2.626 29.724 1.00 0.00 H ATOM 1124 HB1 ALA A 70 2.537 3.499 27.493 1.00 0.00 H ATOM 1125 HB2 ALA A 70 3.805 4.739 27.645 1.00 0.00 H ATOM 1126 HB3 ALA A 70 4.250 3.018 27.549 1.00 0.00 H ATOM 1127 H ALA A 70 1.948 5.188 29.313 1.00 0.00 H ATOM 1128 N VAL A 71 5.259 5.047 30.194 1.00 12.27 N ATOM 1129 CA VAL A 71 6.568 5.320 30.779 1.00 11.19 C ATOM 1130 C VAL A 71 6.521 5.144 32.308 1.00 9.07 C ATOM 1131 O VAL A 71 7.400 4.524 32.902 1.00 8.54 O ATOM 1132 CB VAL A 71 7.076 6.741 30.436 1.00 11.61 C ATOM 1133 CG1 VAL A 71 8.382 7.001 31.145 1.00 12.23 C ATOM 1134 CG2 VAL A 71 7.239 6.899 28.940 1.00 13.77 C ATOM 1135 HA VAL A 71 7.265 4.602 30.348 1.00 0.00 H ATOM 1136 HB VAL A 71 6.341 7.472 30.774 1.00 0.00 H ATOM 1137 HG11 VAL A 71 8.232 6.921 32.222 1.00 0.00 H ATOM 1138 HG12 VAL A 71 9.121 6.266 30.825 1.00 0.00 H ATOM 1139 HG13 VAL A 71 8.734 8.003 30.899 1.00 0.00 H ATOM 1140 HG21 VAL A 71 7.960 6.167 28.575 1.00 0.00 H ATOM 1141 HG22 VAL A 71 6.278 6.739 28.452 1.00 0.00 H ATOM 1142 HG23 VAL A 71 7.597 7.905 28.719 1.00 0.00 H ATOM 1143 H VAL A 71 4.662 5.840 29.883 1.00 0.00 H ATOM 1144 N MET A 72 5.518 5.716 32.957 1.00 7.61 N ATOM 1145 CA MET A 72 5.508 5.751 34.413 1.00 7.37 C ATOM 1146 C MET A 72 5.258 4.385 35.038 1.00 7.86 C ATOM 1147 O MET A 72 5.695 4.149 36.154 1.00 7.37 O ATOM 1148 CB MET A 72 4.532 6.805 34.938 1.00 7.33 C ATOM 1149 CG MET A 72 4.863 8.241 34.477 1.00 7.47 C ATOM 1150 SD MET A 72 6.520 8.788 34.896 1.00 8.32 S ATOM 1151 CE MET A 72 6.382 8.717 36.650 1.00 9.02 C ATOM 1152 HA MET A 72 6.511 6.043 34.723 1.00 0.00 H ATOM 1153 HB2 MET A 72 3.531 6.553 34.588 1.00 0.00 H ATOM 1154 HB3 MET A 72 4.551 6.780 36.028 1.00 0.00 H ATOM 1155 HG2 MET A 72 4.151 8.922 34.943 1.00 0.00 H ATOM 1156 HG3 MET A 72 4.752 8.286 33.394 1.00 0.00 H ATOM 1157 HE1 MET A 72 5.586 9.385 36.978 1.00 0.00 H ATOM 1158 HE2 MET A 72 6.149 7.696 36.954 1.00 0.00 H ATOM 1159 HE3 MET A 72 7.326 9.025 37.100 1.00 0.00 H ATOM 1160 H MET A 72 4.733 6.142 32.424 1.00 0.00 H ATOM 1161 N GLU A 73 4.579 3.475 34.337 1.00 8.63 N ATOM 1162 CA GLU A 73 4.387 2.157 34.929 1.00 8.56 C ATOM 1163 C GLU A 73 5.721 1.385 35.037 1.00 8.72 C ATOM 1164 O GLU A 73 5.788 0.387 35.750 1.00 8.35 O ATOM 1165 CB GLU A 73 3.279 1.377 34.218 1.00 9.06 C ATOM 1166 CG GLU A 73 1.884 1.872 34.615 1.00 10.26 C ATOM 1167 CD GLU A 73 0.749 1.138 33.916 1.00 11.26 C ATOM 1168 OE1 GLU A 73 -0.398 1.282 34.384 1.00 11.04 O ATOM 1169 OE2 GLU A 73 0.993 0.428 32.911 1.00 12.62 O ATOM 1170 HA GLU A 73 4.040 2.291 35.954 1.00 0.00 H ATOM 1171 HB2 GLU A 73 3.401 1.494 33.141 1.00 0.00 H ATOM 1172 HB3 GLU A 73 3.367 0.323 34.480 1.00 0.00 H ATOM 1173 HG2 GLU A 73 1.766 1.742 35.691 1.00 0.00 H ATOM 1174 HG3 GLU A 73 1.812 2.931 34.368 1.00 0.00 H ATOM 1175 H GLU A 73 4.198 3.700 33.396 1.00 0.00 H ATOM 1176 N LEU A 74 6.786 1.889 34.422 1.00 8.68 N ATOM 1177 CA LEU A 74 8.123 1.333 34.618 1.00 8.69 C ATOM 1178 C LEU A 74 8.741 1.764 35.941 1.00 8.45 C ATOM 1179 O LEU A 74 9.689 1.150 36.422 1.00 9.52 O ATOM 1180 CB LEU A 74 9.058 1.755 33.485 1.00 9.80 C ATOM 1181 CG LEU A 74 8.624 1.408 32.066 1.00 11.29 C ATOM 1182 CD1 LEU A 74 9.653 1.950 31.098 1.00 12.55 C ATOM 1183 CD2 LEU A 74 8.449 -0.097 31.890 1.00 11.40 C ATOM 1184 HA LEU A 74 8.005 0.249 34.625 1.00 0.00 H ATOM 1185 HB2 LEU A 74 9.173 2.838 33.539 1.00 0.00 H ATOM 1186 HB3 LEU A 74 10.023 1.279 33.660 1.00 0.00 H ATOM 1187 HG LEU A 74 7.655 1.865 31.865 1.00 0.00 H ATOM 1188 HD21 LEU A 74 9.395 -0.598 32.095 1.00 0.00 H ATOM 1189 HD22 LEU A 74 7.688 -0.457 32.583 1.00 0.00 H ATOM 1190 HD23 LEU A 74 8.139 -0.308 30.867 1.00 0.00 H ATOM 1191 HD11 LEU A 74 9.722 3.032 31.211 1.00 0.00 H ATOM 1192 HD12 LEU A 74 10.622 1.499 31.310 1.00 0.00 H ATOM 1193 HD13 LEU A 74 9.354 1.708 30.078 1.00 0.00 H ATOM 1194 H LEU A 74 6.664 2.701 33.784 1.00 0.00 H ATOM 1195 N LEU A 75 8.205 2.837 36.522 1.00 7.28 N ATOM 1196 CA LEU A 75 8.835 3.556 37.621 1.00 7.12 C ATOM 1197 C LEU A 75 8.073 3.511 38.932 1.00 7.41 C ATOM 1198 O LEU A 75 8.688 3.541 39.987 1.00 8.33 O ATOM 1199 CB LEU A 75 9.013 5.011 37.216 1.00 6.97 C ATOM 1200 CG LEU A 75 9.869 5.208 35.979 1.00 6.97 C ATOM 1201 CD1 LEU A 75 9.866 6.670 35.554 1.00 8.75 C ATOM 1202 CD2 LEU A 75 11.290 4.721 36.273 1.00 8.01 C ATOM 1203 HA LEU A 75 9.785 3.053 37.803 1.00 0.00 H ATOM 1204 HB2 LEU A 75 8.028 5.436 37.023 1.00 0.00 H ATOM 1205 HB3 LEU A 75 9.480 5.543 38.045 1.00 0.00 H ATOM 1206 HG LEU A 75 9.458 4.627 35.153 1.00 0.00 H ATOM 1207 HD21 LEU A 75 11.705 5.294 37.103 1.00 0.00 H ATOM 1208 HD22 LEU A 75 11.263 3.664 36.537 1.00 0.00 H ATOM 1209 HD23 LEU A 75 11.911 4.860 35.388 1.00 0.00 H ATOM 1210 HD11 LEU A 75 8.845 6.980 35.331 1.00 0.00 H ATOM 1211 HD12 LEU A 75 10.265 7.283 36.362 1.00 0.00 H ATOM 1212 HD13 LEU A 75 10.486 6.790 34.665 1.00 0.00 H ATOM 1213 H LEU A 75 7.288 3.179 36.172 1.00 0.00 H ATOM 1214 N ILE A 76 6.746 3.492 38.876 1.00 7.16 N ATOM 1215 CA ILE A 76 5.933 3.510 40.079 1.00 7.82 C ATOM 1216 C ILE A 76 4.821 2.527 39.897 1.00 7.49 C ATOM 1217 O ILE A 76 4.555 2.068 38.792 1.00 6.56 O ATOM 1218 CB ILE A 76 5.375 4.930 40.380 1.00 8.51 C ATOM 1219 CG1 ILE A 76 4.427 5.419 39.295 1.00 9.81 C ATOM 1220 CG2 ILE A 76 6.516 5.934 40.549 1.00 10.43 C ATOM 1221 CD1 ILE A 76 3.956 6.866 39.507 1.00 12.40 C ATOM 1222 HA ILE A 76 6.548 3.234 40.936 1.00 0.00 H ATOM 1223 HB ILE A 76 4.812 4.854 41.310 1.00 0.00 H ATOM 1224 HG12 ILE A 76 4.939 5.359 38.335 1.00 0.00 H ATOM 1225 HG13 ILE A 76 3.552 4.769 39.280 1.00 0.00 H ATOM 1226 HD11 ILE A 76 3.432 6.940 40.460 1.00 0.00 H ATOM 1227 HD12 ILE A 76 4.820 7.531 39.513 1.00 0.00 H ATOM 1228 HD13 ILE A 76 3.283 7.150 38.698 1.00 0.00 H ATOM 1229 HG21 ILE A 76 7.153 5.622 41.377 1.00 0.00 H ATOM 1230 HG22 ILE A 76 7.103 5.973 39.631 1.00 0.00 H ATOM 1231 HG23 ILE A 76 6.102 6.920 40.759 1.00 0.00 H ATOM 1232 H ILE A 76 6.278 3.464 37.948 1.00 0.00 H ATOM 1233 N ASP A 77 4.174 2.196 41.000 1.00 7.18 N ATOM 1234 CA ASP A 77 3.140 1.179 40.989 1.00 7.52 C ATOM 1235 C ASP A 77 1.908 1.591 40.189 1.00 7.39 C ATOM 1236 O ASP A 77 1.647 2.782 39.993 1.00 6.78 O ATOM 1237 CB ASP A 77 2.743 0.840 42.419 1.00 7.59 C ATOM 1238 CG ASP A 77 2.037 1.989 43.102 1.00 7.14 C ATOM 1239 OD1 ASP A 77 2.735 2.894 43.598 1.00 8.23 O ATOM 1240 OD2 ASP A 77 0.784 1.983 43.139 1.00 7.33 O ATOM 1241 HA ASP A 77 3.556 0.302 40.494 1.00 0.00 H ATOM 1242 HB2 ASP A 77 2.077 -0.023 42.404 1.00 0.00 H ATOM 1243 HB3 ASP A 77 3.642 0.594 42.984 1.00 0.00 H ATOM 1244 H ASP A 77 4.410 2.674 41.893 1.00 0.00 H ATOM 1245 N GLU A 78 1.143 0.599 39.757 1.00 8.02 N ATOM 1246 CA GLU A 78 0.019 0.817 38.849 1.00 9.41 C ATOM 1247 C GLU A 78 -0.986 1.831 39.393 1.00 8.01 C ATOM 1248 O GLU A 78 -1.437 2.722 38.669 1.00 7.94 O ATOM 1249 CB GLU A 78 -0.689 -0.513 38.571 1.00 11.18 C ATOM 1250 CG GLU A 78 -1.753 -0.454 37.501 1.00 16.03 C ATOM 1251 CD GLU A 78 -2.459 -1.783 37.314 1.00 21.72 C ATOM 1252 OE1 GLU A 78 -1.854 -2.831 37.627 1.00 25.38 O ATOM 1253 OE2 GLU A 78 -3.624 -1.778 36.863 1.00 25.47 O ATOM 1254 HA GLU A 78 0.426 1.227 37.925 1.00 0.00 H ATOM 1255 HB2 GLU A 78 0.063 -1.239 38.262 1.00 0.00 H ATOM 1256 HB3 GLU A 78 -1.157 -0.848 39.497 1.00 0.00 H ATOM 1257 HG2 GLU A 78 -2.490 0.298 37.781 1.00 0.00 H ATOM 1258 HG3 GLU A 78 -1.286 -0.170 36.558 1.00 0.00 H ATOM 1259 H GLU A 78 1.350 -0.369 40.076 1.00 0.00 H ATOM 1260 N ASN A 79 -1.348 1.706 40.656 1.00 6.83 N ATOM 1261 CA ASN A 79 -2.337 2.618 41.200 1.00 6.14 C ATOM 1262 C ASN A 79 -1.829 4.046 41.267 1.00 6.73 C ATOM 1263 O ASN A 79 -2.579 4.992 41.032 1.00 6.59 O ATOM 1264 CB ASN A 79 -2.805 2.139 42.559 1.00 6.23 C ATOM 1265 CG ASN A 79 -3.570 0.834 42.468 1.00 7.01 C ATOM 1266 OD1 ASN A 79 -4.139 0.505 41.418 1.00 10.23 O ATOM 1267 ND2 ASN A 79 -3.584 0.085 43.552 1.00 7.48 N ATOM 1268 HA ASN A 79 -3.188 2.622 40.519 1.00 0.00 H ATOM 1269 HB2 ASN A 79 -1.935 1.994 43.200 1.00 0.00 H ATOM 1270 HB3 ASN A 79 -3.454 2.898 42.996 1.00 0.00 H ATOM 1271 HD22 ASN A 79 -3.091 0.404 44.411 1.00 0.00 H ATOM 1272 HD21 ASN A 79 -4.088 -0.825 43.549 1.00 0.00 H ATOM 1273 H ASN A 79 -0.930 0.964 41.253 1.00 0.00 H ATOM 1274 N SER A 80 -0.555 4.201 41.576 1.00 5.92 N ATOM 1275 CA SER A 80 0.046 5.524 41.602 1.00 6.29 C ATOM 1276 C SER A 80 0.045 6.135 40.209 1.00 6.15 C ATOM 1277 O SER A 80 -0.175 7.338 40.079 1.00 6.82 O ATOM 1278 CB SER A 80 1.458 5.454 42.160 1.00 6.38 C ATOM 1279 OG SER A 80 1.445 5.116 43.536 1.00 6.15 O ATOM 1280 HA SER A 80 -0.548 6.164 42.255 1.00 0.00 H ATOM 1281 HB2 SER A 80 1.939 6.424 42.036 1.00 0.00 H ATOM 1282 HB3 SER A 80 2.021 4.698 41.612 1.00 0.00 H ATOM 1283 HG SER A 80 1.013 4.233 43.654 1.00 0.00 H ATOM 1284 H SER A 80 0.025 3.368 41.803 1.00 0.00 H ATOM 1285 N VAL A 81 0.294 5.333 39.173 1.00 6.66 N ATOM 1286 CA VAL A 81 0.230 5.818 37.792 1.00 7.14 C ATOM 1287 C VAL A 81 -1.176 6.313 37.486 1.00 7.10 C ATOM 1288 O VAL A 81 -1.341 7.365 36.882 1.00 6.54 O ATOM 1289 CB VAL A 81 0.660 4.740 36.778 1.00 7.43 C ATOM 1290 CG1 VAL A 81 0.469 5.225 35.360 1.00 9.05 C ATOM 1291 CG2 VAL A 81 2.110 4.353 36.997 1.00 8.59 C ATOM 1292 HA VAL A 81 0.934 6.644 37.694 1.00 0.00 H ATOM 1293 HB VAL A 81 0.030 3.864 36.934 1.00 0.00 H ATOM 1294 HG11 VAL A 81 -0.583 5.460 35.196 1.00 0.00 H ATOM 1295 HG12 VAL A 81 1.072 6.118 35.199 1.00 0.00 H ATOM 1296 HG13 VAL A 81 0.780 4.445 34.665 1.00 0.00 H ATOM 1297 HG21 VAL A 81 2.742 5.232 36.870 1.00 0.00 H ATOM 1298 HG22 VAL A 81 2.231 3.959 38.006 1.00 0.00 H ATOM 1299 HG23 VAL A 81 2.395 3.591 36.272 1.00 0.00 H ATOM 1300 H VAL A 81 0.540 4.338 39.350 1.00 0.00 H ATOM 1301 N LYS A 82 -2.198 5.567 37.892 1.00 7.05 N ATOM 1302 CA LYS A 82 -3.571 6.027 37.669 1.00 8.86 C ATOM 1303 C LYS A 82 -3.807 7.366 38.347 1.00 8.41 C ATOM 1304 O LYS A 82 -4.427 8.261 37.769 1.00 8.21 O ATOM 1305 CB LYS A 82 -4.580 5.023 38.201 1.00 10.26 C ATOM 1306 CG LYS A 82 -4.684 3.733 37.437 1.00 16.24 C ATOM 1307 CD LYS A 82 -5.858 2.909 37.997 1.00 22.57 C ATOM 1308 CE LYS A 82 -5.733 1.419 37.736 1.00 26.56 C ATOM 1309 NZ LYS A 82 -6.544 0.649 38.727 1.00 28.34 N ATOM 1310 HA LYS A 82 -3.705 6.133 36.592 1.00 0.00 H ATOM 1311 HB2 LYS A 82 -4.304 4.783 39.228 1.00 0.00 H ATOM 1312 HB3 LYS A 82 -5.561 5.498 38.192 1.00 0.00 H ATOM 1313 HG2 LYS A 82 -4.858 3.946 36.382 1.00 0.00 H ATOM 1314 HG3 LYS A 82 -3.758 3.169 37.545 1.00 0.00 H ATOM 1315 HD2 LYS A 82 -5.908 3.068 39.074 1.00 0.00 H ATOM 1316 HD3 LYS A 82 -6.780 3.264 37.536 1.00 0.00 H ATOM 1317 HE2 LYS A 82 -4.687 1.125 37.821 1.00 0.00 H ATOM 1318 HE3 LYS A 82 -6.090 1.199 36.730 1.00 0.00 H ATOM 1319 HZ1 LYS A 82 -6.203 0.856 39.688 1.00 0.00 H ATOM 1320 HZ2 LYS A 82 -7.543 0.926 38.645 1.00 0.00 H ATOM 1321 HZ3 LYS A 82 -6.448 -0.369 38.535 1.00 0.00 H ATOM 1322 H LYS A 82 -2.024 4.658 38.367 1.00 0.00 H ATOM 1323 N GLN A 83 -3.285 7.497 39.573 1.00 8.62 N ATOM 1324 CA GLN A 83 -3.404 8.724 40.353 1.00 9.32 C ATOM 1325 C GLN A 83 -2.697 9.866 39.679 1.00 9.45 C ATOM 1326 O GLN A 83 -3.224 10.967 39.611 1.00 10.05 O ATOM 1327 CB GLN A 83 -2.848 8.527 41.769 1.00 10.51 C ATOM 1328 CG GLN A 83 -3.672 7.566 42.630 1.00 11.25 C ATOM 1329 CD GLN A 83 -5.015 8.117 43.022 1.00 13.58 C ATOM 1330 OE1 GLN A 83 -5.179 9.322 43.209 1.00 14.05 O ATOM 1331 NE2 GLN A 83 -5.996 7.238 43.126 1.00 12.42 N ATOM 1332 HA GLN A 83 -4.464 8.967 40.423 1.00 0.00 H ATOM 1333 HB2 GLN A 83 -1.835 8.134 41.689 1.00 0.00 H ATOM 1334 HB3 GLN A 83 -2.822 9.497 42.266 1.00 0.00 H ATOM 1335 HG2 GLN A 83 -3.827 6.645 42.068 1.00 0.00 H ATOM 1336 HG3 GLN A 83 -3.110 7.347 43.538 1.00 0.00 H ATOM 1337 HE22 GLN A 83 -5.810 6.229 42.959 1.00 0.00 H ATOM 1338 HE21 GLN A 83 -6.954 7.556 43.375 1.00 0.00 H ATOM 1339 H GLN A 83 -2.774 6.691 39.986 1.00 0.00 H ATOM 1340 N LEU A 84 -1.514 9.592 39.149 1.00 9.16 N ATOM 1341 CA LEU A 84 -0.756 10.592 38.423 1.00 9.87 C ATOM 1342 C LEU A 84 -1.557 11.065 37.238 1.00 9.57 C ATOM 1343 O LEU A 84 -1.677 12.253 37.001 1.00 10.66 O ATOM 1344 CB LEU A 84 0.571 10.001 37.935 1.00 9.74 C ATOM 1345 CG LEU A 84 1.497 10.866 37.067 1.00 10.91 C ATOM 1346 CD1 LEU A 84 2.897 10.265 37.044 1.00 12.27 C ATOM 1347 CD2 LEU A 84 0.984 11.019 35.672 1.00 12.09 C ATOM 1348 HA LEU A 84 -0.548 11.430 39.088 1.00 0.00 H ATOM 1349 HB2 LEU A 84 1.138 9.715 38.821 1.00 0.00 H ATOM 1350 HB3 LEU A 84 0.330 9.110 37.356 1.00 0.00 H ATOM 1351 HG LEU A 84 1.529 11.860 37.513 1.00 0.00 H ATOM 1352 HD21 LEU A 84 0.903 10.037 35.206 1.00 0.00 H ATOM 1353 HD22 LEU A 84 0.003 11.493 35.697 1.00 0.00 H ATOM 1354 HD23 LEU A 84 1.674 11.639 35.099 1.00 0.00 H ATOM 1355 HD11 LEU A 84 3.290 10.224 38.060 1.00 0.00 H ATOM 1356 HD12 LEU A 84 2.852 9.258 36.630 1.00 0.00 H ATOM 1357 HD13 LEU A 84 3.547 10.885 36.426 1.00 0.00 H ATOM 1358 H LEU A 84 -1.119 8.636 39.256 1.00 0.00 H ATOM 1359 N VAL A 85 -2.102 10.134 36.470 1.00 9.56 N ATOM 1360 CA VAL A 85 -2.853 10.495 35.283 1.00 9.92 C ATOM 1361 C VAL A 85 -4.058 11.351 35.660 1.00 10.18 C ATOM 1362 O VAL A 85 -4.299 12.367 35.019 1.00 11.30 O ATOM 1363 CB VAL A 85 -3.291 9.245 34.482 1.00 9.98 C ATOM 1364 CG1 VAL A 85 -4.280 9.605 33.382 1.00 11.39 C ATOM 1365 CG2 VAL A 85 -2.082 8.535 33.900 1.00 10.92 C ATOM 1366 HA VAL A 85 -2.198 11.079 34.636 1.00 0.00 H ATOM 1367 HB VAL A 85 -3.795 8.569 35.172 1.00 0.00 H ATOM 1368 HG11 VAL A 85 -5.166 10.059 33.826 1.00 0.00 H ATOM 1369 HG12 VAL A 85 -3.815 10.311 32.694 1.00 0.00 H ATOM 1370 HG13 VAL A 85 -4.565 8.702 32.841 1.00 0.00 H ATOM 1371 HG21 VAL A 85 -1.549 9.214 33.234 1.00 0.00 H ATOM 1372 HG22 VAL A 85 -1.421 8.224 34.709 1.00 0.00 H ATOM 1373 HG23 VAL A 85 -2.411 7.659 33.341 1.00 0.00 H ATOM 1374 H VAL A 85 -1.990 9.131 36.721 1.00 0.00 H ATOM 1375 N SER A 86 -4.777 10.994 36.717 1.00 10.66 N ATOM 1376 CA SER A 86 -5.917 11.809 37.148 1.00 11.23 C ATOM 1377 C SER A 86 -5.464 13.191 37.643 1.00 11.24 C ATOM 1378 O SER A 86 -6.119 14.201 37.397 1.00 13.37 O ATOM 1379 CB SER A 86 -6.700 11.100 38.239 1.00 11.44 C ATOM 1380 OG SER A 86 -7.336 9.943 37.720 1.00 13.64 O ATOM 1381 HA SER A 86 -6.563 11.952 36.282 1.00 0.00 H ATOM 1382 HB2 SER A 86 -7.456 11.777 38.637 1.00 0.00 H ATOM 1383 HB3 SER A 86 -6.019 10.808 39.038 1.00 0.00 H ATOM 1384 HG SER A 86 -7.841 9.493 38.443 1.00 0.00 H ATOM 1385 H SER A 86 -4.530 10.131 37.243 1.00 0.00 H ATOM 1386 N ASP A 87 -4.350 13.218 38.363 1.00 10.95 N ATOM 1387 CA ASP A 87 -3.810 14.448 38.932 1.00 11.02 C ATOM 1388 C ASP A 87 -3.342 15.419 37.855 1.00 11.64 C ATOM 1389 O ASP A 87 -3.504 16.636 37.989 1.00 12.63 O ATOM 1390 CB ASP A 87 -2.617 14.072 39.843 1.00 10.58 C ATOM 1391 CG ASP A 87 -2.123 15.217 40.720 1.00 10.95 C ATOM 1392 OD1 ASP A 87 -2.823 16.231 40.896 1.00 14.56 O ATOM 1393 OD2 ASP A 87 -1.006 15.070 41.252 1.00 9.76 O ATOM 1394 HA ASP A 87 -4.597 14.947 39.497 1.00 0.00 H ATOM 1395 HB2 ASP A 87 -2.925 13.252 40.491 1.00 0.00 H ATOM 1396 HB3 ASP A 87 -1.792 13.744 39.210 1.00 0.00 H ATOM 1397 H ASP A 87 -3.841 12.326 38.528 1.00 0.00 H ATOM 1398 N CYS A 88 -2.806 14.865 36.769 1.00 11.80 N ATOM 1399 CA CYS A 88 -2.004 15.649 35.821 1.00 11.20 C ATOM 1400 C CYS A 88 -2.612 15.804 34.439 1.00 11.78 C ATOM 1401 O CYS A 88 -2.053 16.551 33.621 1.00 13.46 O ATOM 1402 CB CYS A 88 -0.599 15.035 35.635 1.00 10.51 C ATOM 1403 SG CYS A 88 0.450 14.976 37.092 1.00 8.04 S ATOM 1404 HA CYS A 88 -1.960 16.637 36.280 1.00 0.00 H ATOM 1405 HB2 CYS A 88 -0.079 15.620 34.876 1.00 0.00 H ATOM 1406 HB3 CYS A 88 -0.729 14.013 35.278 1.00 0.00 H ATOM 1407 H CYS A 88 -2.959 13.852 36.588 1.00 0.00 H ATOM 1408 N SER A 89 -3.743 15.151 34.151 1.00 11.25 N ATOM 1409 CA SER A 89 -4.231 15.114 32.759 1.00 11.50 C ATOM 1410 C SER A 89 -5.124 16.282 32.322 1.00 11.15 C ATOM 1411 O SER A 89 -5.383 16.436 31.133 1.00 11.78 O ATOM 1412 CB SER A 89 -4.960 13.802 32.459 1.00 11.90 C ATOM 1413 OG SER A 89 -6.234 13.779 33.062 1.00 13.03 O ATOM 1414 HA SER A 89 -3.314 15.203 32.176 1.00 0.00 H ATOM 1415 HB2 SER A 89 -4.369 12.970 32.843 1.00 0.00 H ATOM 1416 HB3 SER A 89 -5.075 13.697 31.380 1.00 0.00 H ATOM 1417 HG SER A 89 -6.135 13.870 34.043 1.00 0.00 H ATOM 1418 H SER A 89 -4.276 14.672 34.904 1.00 0.00 H ATOM 1419 N THR A 90 -5.582 17.097 33.265 1.00 10.62 N ATOM 1420 CA THR A 90 -6.484 18.197 32.950 1.00 10.91 C ATOM 1421 C THR A 90 -6.054 19.477 33.674 1.00 10.25 C ATOM 1422 O THR A 90 -6.828 20.160 34.337 1.00 10.17 O ATOM 1423 CB THR A 90 -7.905 17.824 33.281 1.00 11.17 C ATOM 1424 OG1 THR A 90 -7.972 17.433 34.651 1.00 11.61 O ATOM 1425 CG2 THR A 90 -8.393 16.688 32.369 1.00 11.76 C ATOM 1426 HA THR A 90 -6.432 18.394 31.879 1.00 0.00 H ATOM 1427 HB THR A 90 -8.555 18.683 33.116 1.00 0.00 H ATOM 1428 HG1 THR A 90 -7.378 16.656 34.801 1.00 0.00 H ATOM 1429 HG23 THR A 90 -8.333 17.008 31.329 1.00 0.00 H ATOM 1430 HG21 THR A 90 -7.765 15.810 32.517 1.00 0.00 H ATOM 1431 HG22 THR A 90 -9.426 16.443 32.617 1.00 0.00 H ATOM 1432 H THR A 90 -5.290 16.947 34.252 1.00 0.00 H ATOM 1433 N ILE A 91 -4.780 19.787 33.538 1.00 10.15 N ATOM 1434 CA ILE A 91 -4.240 21.011 34.092 1.00 10.43 C ATOM 1435 C ILE A 91 -4.984 22.186 33.459 1.00 9.56 C ATOM 1436 O ILE A 91 -5.215 22.246 32.240 1.00 11.11 O ATOM 1437 CB ILE A 91 -2.714 21.069 33.861 1.00 10.89 C ATOM 1438 CG1 ILE A 91 -2.043 19.983 34.702 1.00 10.91 C ATOM 1439 CG2 ILE A 91 -2.129 22.437 34.194 1.00 12.76 C ATOM 1440 CD1 ILE A 91 -0.582 19.775 34.401 1.00 12.35 C ATOM 1441 HA ILE A 91 -4.386 21.055 35.171 1.00 0.00 H ATOM 1442 HB ILE A 91 -2.523 20.897 32.802 1.00 0.00 H ATOM 1443 HG12 ILE A 91 -2.139 20.257 35.753 1.00 0.00 H ATOM 1444 HG13 ILE A 91 -2.565 19.043 34.524 1.00 0.00 H ATOM 1445 HD11 ILE A 91 -0.465 19.486 33.357 1.00 0.00 H ATOM 1446 HD12 ILE A 91 -0.039 20.702 34.586 1.00 0.00 H ATOM 1447 HD13 ILE A 91 -0.189 18.987 35.043 1.00 0.00 H ATOM 1448 HG21 ILE A 91 -2.595 23.194 33.563 1.00 0.00 H ATOM 1449 HG22 ILE A 91 -2.321 22.668 35.242 1.00 0.00 H ATOM 1450 HG23 ILE A 91 -1.054 22.424 34.015 1.00 0.00 H ATOM 1451 H ILE A 91 -4.150 19.140 33.023 1.00 0.00 H ATOM 1452 N SER A 92 -5.354 23.136 34.288 1.00 10.02 N ATOM 1453 CA SER A 92 -6.170 24.254 33.826 1.00 10.68 C ATOM 1454 C SER A 92 -5.255 25.301 33.202 1.00 10.40 C ATOM 1455 O SER A 92 -4.893 26.291 33.839 1.00 12.54 O ATOM 1456 CB SER A 92 -6.988 24.839 34.975 1.00 11.21 C ATOM 1457 OG SER A 92 -6.150 25.315 36.006 1.00 13.41 O ATOM 1458 HA SER A 92 -6.880 23.908 33.075 1.00 0.00 H ATOM 1459 HB2 SER A 92 -7.642 24.065 35.377 1.00 0.00 H ATOM 1460 HB3 SER A 92 -7.592 25.664 34.598 1.00 0.00 H ATOM 1461 HG SER A 92 -5.602 24.568 36.355 1.00 0.00 H ATOM 1462 H SER A 92 -5.062 23.091 35.285 1.00 0.00 H ATOM 1463 N GLU A 93 -4.887 25.063 31.945 1.00 9.34 N ATOM 1464 CA GLU A 93 -3.984 25.977 31.222 1.00 9.37 C ATOM 1465 C GLU A 93 -4.290 25.962 29.741 1.00 10.29 C ATOM 1466 O GLU A 93 -4.295 24.902 29.129 1.00 12.24 O ATOM 1467 CB GLU A 93 -2.522 25.542 31.450 1.00 9.43 C ATOM 1468 CG GLU A 93 -1.497 26.419 30.767 1.00 9.45 C ATOM 1469 CD GLU A 93 -1.708 27.869 31.109 1.00 10.17 C ATOM 1470 OE1 GLU A 93 -1.597 28.201 32.306 1.00 10.66 O ATOM 1471 OE2 GLU A 93 -1.983 28.664 30.190 1.00 10.81 O ATOM 1472 HA GLU A 93 -4.132 26.989 31.600 1.00 0.00 H ATOM 1473 HB2 GLU A 93 -2.324 25.557 32.522 1.00 0.00 H ATOM 1474 HB3 GLU A 93 -2.406 24.525 31.075 1.00 0.00 H ATOM 1475 HG2 GLU A 93 -0.500 26.119 31.089 1.00 0.00 H ATOM 1476 HG3 GLU A 93 -1.582 26.292 29.688 1.00 0.00 H ATOM 1477 H GLU A 93 -5.244 24.214 31.462 1.00 0.00 H ATOM 1478 N GLU A 94 -4.552 27.134 29.158 1.00 10.11 N ATOM 1479 CA GLU A 94 -4.904 27.226 27.731 1.00 10.31 C ATOM 1480 C GLU A 94 -3.721 27.396 26.778 1.00 9.82 C ATOM 1481 O GLU A 94 -3.801 27.056 25.590 1.00 10.67 O ATOM 1482 CB GLU A 94 -5.888 28.389 27.522 1.00 11.18 C ATOM 1483 CG GLU A 94 -7.154 28.293 28.352 1.00 14.84 C ATOM 1484 CD GLU A 94 -7.796 26.965 28.176 1.00 16.69 C ATOM 1485 OE1 GLU A 94 -8.056 26.592 27.013 1.00 21.69 O ATOM 1486 OE2 GLU A 94 -7.991 26.269 29.182 1.00 17.37 O ATOM 1487 HA GLU A 94 -5.350 26.264 27.480 1.00 0.00 H ATOM 1488 HB2 GLU A 94 -5.379 29.318 27.781 1.00 0.00 H ATOM 1489 HB3 GLU A 94 -6.171 28.412 26.470 1.00 0.00 H ATOM 1490 HG2 GLU A 94 -6.905 28.434 29.404 1.00 0.00 H ATOM 1491 HG3 GLU A 94 -7.849 29.072 28.037 1.00 0.00 H ATOM 1492 H GLU A 94 -4.506 28.004 29.726 1.00 0.00 H ATOM 1493 N ASN A 95 -2.633 27.940 27.298 1.00 7.92 N ATOM 1494 CA ASN A 95 -1.431 28.196 26.520 1.00 7.44 C ATOM 1495 C ASN A 95 -0.666 26.891 26.416 1.00 6.38 C ATOM 1496 O ASN A 95 -0.230 26.369 27.448 1.00 6.39 O ATOM 1497 CB ASN A 95 -0.616 29.249 27.254 1.00 7.63 C ATOM 1498 CG ASN A 95 0.717 29.548 26.609 1.00 8.82 C ATOM 1499 OD1 ASN A 95 1.296 28.740 25.891 1.00 9.24 O ATOM 1500 ND2 ASN A 95 1.230 30.725 26.895 1.00 11.32 N ATOM 1501 HA ASN A 95 -1.657 28.559 25.518 1.00 0.00 H ATOM 1502 HB2 ASN A 95 -1.196 30.171 27.288 1.00 0.00 H ATOM 1503 HB3 ASN A 95 -0.435 28.898 28.270 1.00 0.00 H ATOM 1504 HD22 ASN A 95 0.709 31.384 27.508 1.00 0.00 H ATOM 1505 HD21 ASN A 95 2.156 30.996 26.508 1.00 0.00 H ATOM 1506 H ASN A 95 -2.637 28.196 28.306 1.00 0.00 H ATOM 1507 N PRO A 96 -0.514 26.327 25.197 1.00 7.01 N ATOM 1508 CA PRO A 96 0.099 24.994 25.101 1.00 7.02 C ATOM 1509 C PRO A 96 1.515 24.923 25.672 1.00 6.32 C ATOM 1510 O PRO A 96 1.917 23.885 26.162 1.00 5.82 O ATOM 1511 CB PRO A 96 0.118 24.713 23.590 1.00 8.15 C ATOM 1512 CG PRO A 96 0.042 26.046 22.963 1.00 9.90 C ATOM 1513 CD PRO A 96 -0.884 26.834 23.864 1.00 7.68 C ATOM 1514 HA PRO A 96 -0.462 24.266 25.686 1.00 0.00 H ATOM 1515 HD3 PRO A 96 -0.701 27.905 23.782 1.00 0.00 H ATOM 1516 HD2 PRO A 96 -1.930 26.627 23.637 1.00 0.00 H ATOM 1517 HG3 PRO A 96 -0.368 25.976 21.955 1.00 0.00 H ATOM 1518 HG2 PRO A 96 1.027 26.510 22.922 1.00 0.00 H ATOM 1519 HB2 PRO A 96 1.039 24.205 23.304 1.00 0.00 H ATOM 1520 HB3 PRO A 96 -0.737 24.102 23.301 1.00 0.00 H ATOM 1521 N HIS A 97 2.261 26.019 25.618 1.00 6.10 N ATOM 1522 CA HIS A 97 3.623 26.012 26.118 1.00 6.35 C ATOM 1523 C HIS A 97 3.663 25.973 27.619 1.00 6.55 C ATOM 1524 O HIS A 97 4.447 25.226 28.192 1.00 6.54 O ATOM 1525 CB HIS A 97 4.384 27.192 25.567 1.00 7.31 C ATOM 1526 CG HIS A 97 4.583 27.083 24.107 1.00 9.60 C ATOM 1527 ND1 HIS A 97 5.459 26.184 23.548 1.00 13.76 N ATOM 1528 CD2 HIS A 97 3.939 27.681 23.079 1.00 12.83 C ATOM 1529 CE1 HIS A 97 5.405 26.296 22.232 1.00 14.07 C ATOM 1530 NE2 HIS A 97 4.486 27.191 21.922 1.00 16.13 N ATOM 1531 HA HIS A 97 4.111 25.101 25.772 1.00 0.00 H ATOM 1532 HB2 HIS A 97 3.825 28.103 25.780 1.00 0.00 H ATOM 1533 HB3 HIS A 97 5.358 27.242 26.053 1.00 0.00 H ATOM 1534 HD2 HIS A 97 3.136 28.414 23.156 1.00 0.00 H ATOM 1535 HE1 HIS A 97 6.018 25.741 21.521 1.00 0.00 H ATOM 1536 H HIS A 97 1.866 26.892 25.213 1.00 0.00 H ATOM 1537 N LEU A 98 2.795 26.743 28.263 1.00 6.56 N ATOM 1538 CA LEU A 98 2.691 26.703 29.718 1.00 7.51 C ATOM 1539 C LEU A 98 2.094 25.379 30.176 1.00 7.62 C ATOM 1540 O LEU A 98 2.475 24.851 31.230 1.00 7.44 O ATOM 1541 CB LEU A 98 1.886 27.900 30.230 1.00 9.12 C ATOM 1542 CG LEU A 98 1.859 28.198 31.730 1.00 11.86 C ATOM 1543 CD1 LEU A 98 3.208 28.191 32.353 1.00 13.51 C ATOM 1544 CD2 LEU A 98 1.183 29.546 31.962 1.00 14.69 C ATOM 1545 HA LEU A 98 3.691 26.774 30.145 1.00 0.00 H ATOM 1546 HB2 LEU A 98 2.285 28.786 29.737 1.00 0.00 H ATOM 1547 HB3 LEU A 98 0.853 27.746 29.918 1.00 0.00 H ATOM 1548 HG LEU A 98 1.295 27.398 32.209 1.00 0.00 H ATOM 1549 HD21 LEU A 98 1.742 30.325 31.444 1.00 0.00 H ATOM 1550 HD22 LEU A 98 0.164 29.511 31.577 1.00 0.00 H ATOM 1551 HD23 LEU A 98 1.162 29.761 33.030 1.00 0.00 H ATOM 1552 HD11 LEU A 98 3.663 27.210 32.220 1.00 0.00 H ATOM 1553 HD12 LEU A 98 3.830 28.949 31.877 1.00 0.00 H ATOM 1554 HD13 LEU A 98 3.117 28.409 33.417 1.00 0.00 H ATOM 1555 H LEU A 98 2.180 27.384 27.723 1.00 0.00 H ATOM 1556 N LYS A 99 1.210 24.800 29.378 1.00 6.91 N ATOM 1557 CA LYS A 99 0.713 23.480 29.686 1.00 7.82 C ATOM 1558 C LYS A 99 1.840 22.449 29.684 1.00 5.92 C ATOM 1559 O LYS A 99 1.855 21.580 30.522 1.00 5.81 O ATOM 1560 CB LYS A 99 -0.363 23.045 28.713 1.00 8.71 C ATOM 1561 CG LYS A 99 -1.115 21.836 29.226 1.00 13.91 C ATOM 1562 CD LYS A 99 -2.320 21.444 28.365 1.00 19.79 C ATOM 1563 CE LYS A 99 -3.215 22.615 27.947 1.00 23.02 C ATOM 1564 NZ LYS A 99 -2.830 23.328 26.682 1.00 23.85 N ATOM 1565 HA LYS A 99 0.280 23.536 30.685 1.00 0.00 H ATOM 1566 HB2 LYS A 99 -1.066 23.866 28.570 1.00 0.00 H ATOM 1567 HB3 LYS A 99 0.101 22.796 27.759 1.00 0.00 H ATOM 1568 HG2 LYS A 99 -0.427 20.991 29.259 1.00 0.00 H ATOM 1569 HG3 LYS A 99 -1.469 22.054 30.234 1.00 0.00 H ATOM 1570 HD2 LYS A 99 -1.949 20.960 27.461 1.00 0.00 H ATOM 1571 HD3 LYS A 99 -2.927 20.737 28.931 1.00 0.00 H ATOM 1572 HE2 LYS A 99 -3.206 23.345 28.756 1.00 0.00 H ATOM 1573 HE3 LYS A 99 -4.227 22.230 27.817 1.00 0.00 H ATOM 1574 HZ1 LYS A 99 -1.873 23.721 26.785 1.00 0.00 H ATOM 1575 HZ2 LYS A 99 -2.847 22.656 25.888 1.00 0.00 H ATOM 1576 HZ3 LYS A 99 -3.505 24.098 26.501 1.00 0.00 H ATOM 1577 H LYS A 99 0.873 25.297 28.529 1.00 0.00 H ATOM 1578 N ALA A 100 2.761 22.539 28.734 1.00 5.02 N ATOM 1579 CA ALA A 100 3.848 21.581 28.646 1.00 4.32 C ATOM 1580 C ALA A 100 4.749 21.647 29.872 1.00 4.15 C ATOM 1581 O ALA A 100 5.098 20.632 30.442 1.00 4.49 O ATOM 1582 CB ALA A 100 4.629 21.824 27.387 1.00 5.23 C ATOM 1583 HA ALA A 100 3.426 20.576 28.615 1.00 0.00 H ATOM 1584 HB1 ALA A 100 3.972 21.709 26.525 1.00 0.00 H ATOM 1585 HB2 ALA A 100 5.036 22.835 27.403 1.00 0.00 H ATOM 1586 HB3 ALA A 100 5.445 21.104 27.322 1.00 0.00 H ATOM 1587 H ALA A 100 2.703 23.310 28.039 1.00 0.00 H ATOM 1588 N SER A 101 5.134 22.849 30.294 1.00 3.75 N ATOM 1589 CA SER A 101 5.944 22.948 31.489 1.00 4.21 C ATOM 1590 C SER A 101 5.161 22.507 32.724 1.00 4.32 C ATOM 1591 O SER A 101 5.704 21.851 33.599 1.00 4.69 O ATOM 1592 CB SER A 101 6.541 24.344 31.649 1.00 4.67 C ATOM 1593 OG SER A 101 5.532 25.306 31.722 1.00 5.49 O ATOM 1594 HA SER A 101 6.784 22.261 31.381 1.00 0.00 H ATOM 1595 HB2 SER A 101 7.181 24.560 30.794 1.00 0.00 H ATOM 1596 HB3 SER A 101 7.135 24.377 32.563 1.00 0.00 H ATOM 1597 HG SER A 101 5.939 26.202 31.825 1.00 0.00 H ATOM 1598 H SER A 101 4.857 23.705 29.772 1.00 0.00 H ATOM 1599 N LYS A 102 3.881 22.857 32.806 1.00 4.40 N ATOM 1600 CA LYS A 102 3.071 22.443 33.940 1.00 4.77 C ATOM 1601 C LYS A 102 2.909 20.921 33.974 1.00 4.41 C ATOM 1602 O LYS A 102 2.862 20.330 35.058 1.00 5.32 O ATOM 1603 CB LYS A 102 1.723 23.164 33.937 1.00 5.26 C ATOM 1604 CG LYS A 102 1.853 24.630 34.327 1.00 6.75 C ATOM 1605 CD LYS A 102 0.521 25.338 34.299 1.00 7.64 C ATOM 1606 CE LYS A 102 0.626 26.717 34.904 1.00 9.39 C ATOM 1607 NZ LYS A 102 -0.695 27.425 34.855 1.00 12.59 N ATOM 1608 HA LYS A 102 3.589 22.729 34.855 1.00 0.00 H ATOM 1609 HB2 LYS A 102 1.295 23.103 32.937 1.00 0.00 H ATOM 1610 HB3 LYS A 102 1.059 22.670 34.646 1.00 0.00 H ATOM 1611 HG2 LYS A 102 2.265 24.692 35.334 1.00 0.00 H ATOM 1612 HG3 LYS A 102 2.529 25.123 33.628 1.00 0.00 H ATOM 1613 HD2 LYS A 102 0.186 25.427 33.265 1.00 0.00 H ATOM 1614 HD3 LYS A 102 -0.205 24.755 34.866 1.00 0.00 H ATOM 1615 HE2 LYS A 102 1.363 27.296 34.347 1.00 0.00 H ATOM 1616 HE3 LYS A 102 0.945 26.628 35.942 1.00 0.00 H ATOM 1617 HZ1 LYS A 102 -1.002 27.516 33.865 1.00 0.00 H ATOM 1618 HZ2 LYS A 102 -1.400 26.878 35.389 1.00 0.00 H ATOM 1619 HZ3 LYS A 102 -0.596 28.370 35.277 1.00 0.00 H ATOM 1620 H LYS A 102 3.455 23.432 32.052 1.00 0.00 H ATOM 1621 N LEU A 103 2.813 20.292 32.808 1.00 4.13 N ATOM 1622 CA LEU A 103 2.702 18.832 32.713 1.00 4.33 C ATOM 1623 C LEU A 103 3.963 18.165 33.251 1.00 3.99 C ATOM 1624 O LEU A 103 3.901 17.252 34.056 1.00 4.31 O ATOM 1625 CB LEU A 103 2.471 18.385 31.268 1.00 4.71 C ATOM 1626 CG LEU A 103 1.039 18.428 30.746 1.00 4.85 C ATOM 1627 CD1 LEU A 103 0.990 18.350 29.223 1.00 5.19 C ATOM 1628 CD2 LEU A 103 0.240 17.295 31.369 1.00 6.35 C ATOM 1629 HA LEU A 103 1.844 18.529 33.314 1.00 0.00 H ATOM 1630 HB2 LEU A 103 3.074 19.027 30.626 1.00 0.00 H ATOM 1631 HB3 LEU A 103 2.821 17.356 31.183 1.00 0.00 H ATOM 1632 HG LEU A 103 0.597 19.383 31.031 1.00 0.00 H ATOM 1633 HD21 LEU A 103 0.696 16.341 31.103 1.00 0.00 H ATOM 1634 HD22 LEU A 103 0.236 17.408 32.453 1.00 0.00 H ATOM 1635 HD23 LEU A 103 -0.784 17.326 30.996 1.00 0.00 H ATOM 1636 HD11 LEU A 103 1.535 19.193 28.800 1.00 0.00 H ATOM 1637 HD12 LEU A 103 1.448 17.417 28.893 1.00 0.00 H ATOM 1638 HD13 LEU A 103 -0.048 18.384 28.892 1.00 0.00 H ATOM 1639 H LEU A 103 2.817 20.853 31.933 1.00 0.00 H ATOM 1640 N VAL A 104 5.128 18.630 32.804 1.00 4.09 N ATOM 1641 CA VAL A 104 6.373 18.061 33.301 1.00 4.00 C ATOM 1642 C VAL A 104 6.496 18.304 34.794 1.00 4.47 C ATOM 1643 O VAL A 104 6.941 17.438 35.544 1.00 4.61 O ATOM 1644 CB VAL A 104 7.598 18.577 32.519 1.00 4.05 C ATOM 1645 CG1 VAL A 104 8.897 18.204 33.198 1.00 4.20 C ATOM 1646 CG2 VAL A 104 7.571 18.022 31.100 1.00 5.34 C ATOM 1647 HA VAL A 104 6.348 16.984 33.136 1.00 0.00 H ATOM 1648 HB VAL A 104 7.544 19.665 32.490 1.00 0.00 H ATOM 1649 HG11 VAL A 104 8.921 18.638 34.197 1.00 0.00 H ATOM 1650 HG12 VAL A 104 8.969 17.119 33.270 1.00 0.00 H ATOM 1651 HG13 VAL A 104 9.734 18.587 32.614 1.00 0.00 H ATOM 1652 HG21 VAL A 104 7.597 16.933 31.137 1.00 0.00 H ATOM 1653 HG22 VAL A 104 6.659 18.348 30.601 1.00 0.00 H ATOM 1654 HG23 VAL A 104 8.438 18.389 30.551 1.00 0.00 H ATOM 1655 H VAL A 104 5.149 19.397 32.102 1.00 0.00 H ATOM 1656 N GLN A 105 6.078 19.476 35.256 1.00 4.31 N ATOM 1657 CA GLN A 105 6.111 19.739 36.683 1.00 4.86 C ATOM 1658 C GLN A 105 5.250 18.744 37.467 1.00 5.60 C ATOM 1659 O GLN A 105 5.636 18.226 38.515 1.00 5.80 O ATOM 1660 CB GLN A 105 5.624 21.151 36.961 1.00 5.62 C ATOM 1661 CG GLN A 105 5.551 21.494 38.408 1.00 7.60 C ATOM 1662 CD GLN A 105 5.191 22.938 38.600 1.00 10.00 C ATOM 1663 OE1 GLN A 105 4.090 23.368 38.254 1.00 11.63 O ATOM 1664 NE2 GLN A 105 6.131 23.706 39.122 1.00 11.06 N ATOM 1665 HA GLN A 105 7.144 19.627 37.012 1.00 0.00 H ATOM 1666 HB2 GLN A 105 6.306 21.850 36.477 1.00 0.00 H ATOM 1667 HB3 GLN A 105 4.628 21.261 36.532 1.00 0.00 H ATOM 1668 HG2 GLN A 105 4.794 20.871 38.885 1.00 0.00 H ATOM 1669 HG3 GLN A 105 6.520 21.303 38.869 1.00 0.00 H ATOM 1670 HE22 GLN A 105 7.045 23.294 39.398 1.00 0.00 H ATOM 1671 HE21 GLN A 105 5.957 24.722 39.257 1.00 0.00 H ATOM 1672 H GLN A 105 5.729 20.202 34.599 1.00 0.00 H ATOM 1673 N CYS A 106 4.056 18.491 36.962 1.00 5.66 N ATOM 1674 CA CYS A 106 3.146 17.617 37.661 1.00 6.79 C ATOM 1675 C CYS A 106 3.662 16.173 37.678 1.00 5.52 C ATOM 1676 O CYS A 106 3.627 15.525 38.722 1.00 6.55 O ATOM 1677 CB CYS A 106 1.793 17.788 37.039 1.00 6.84 C ATOM 1678 SG CYS A 106 0.418 16.864 37.675 1.00 11.02 S ATOM 1679 HA CYS A 106 3.069 17.880 38.716 1.00 0.00 H ATOM 1680 HB2 CYS A 106 1.892 17.526 35.986 1.00 0.00 H ATOM 1681 HB3 CYS A 106 1.534 18.843 37.126 1.00 0.00 H ATOM 1682 H CYS A 106 3.772 18.922 36.059 1.00 0.00 H ATOM 1683 N VAL A 107 4.168 15.681 36.551 1.00 4.96 N ATOM 1684 CA VAL A 107 4.687 14.322 36.474 1.00 5.10 C ATOM 1685 C VAL A 107 5.897 14.189 37.402 1.00 4.28 C ATOM 1686 O VAL A 107 6.067 13.165 38.055 1.00 4.95 O ATOM 1687 CB VAL A 107 5.041 13.942 35.039 1.00 5.79 C ATOM 1688 CG1 VAL A 107 5.752 12.614 34.999 1.00 7.66 C ATOM 1689 CG2 VAL A 107 3.794 13.912 34.184 1.00 7.56 C ATOM 1690 HA VAL A 107 3.913 13.628 36.801 1.00 0.00 H ATOM 1691 HB VAL A 107 5.717 14.696 34.636 1.00 0.00 H ATOM 1692 HG11 VAL A 107 6.670 12.677 35.584 1.00 0.00 H ATOM 1693 HG12 VAL A 107 5.105 11.844 35.418 1.00 0.00 H ATOM 1694 HG13 VAL A 107 5.994 12.364 33.966 1.00 0.00 H ATOM 1695 HG21 VAL A 107 3.097 13.177 34.587 1.00 0.00 H ATOM 1696 HG22 VAL A 107 3.328 14.897 34.188 1.00 0.00 H ATOM 1697 HG23 VAL A 107 4.061 13.640 33.163 1.00 0.00 H ATOM 1698 H VAL A 107 4.194 16.282 35.703 1.00 0.00 H ATOM 1699 N SER A 108 6.704 15.237 37.480 1.00 4.17 N ATOM 1700 CA SER A 108 7.929 15.231 38.240 1.00 4.48 C ATOM 1701 C SER A 108 7.694 15.157 39.733 1.00 4.79 C ATOM 1702 O SER A 108 8.600 14.773 40.462 1.00 5.14 O ATOM 1703 CB SER A 108 8.785 16.449 37.908 1.00 4.75 C ATOM 1704 OG SER A 108 9.270 16.394 36.586 1.00 5.45 O ATOM 1705 HA SER A 108 8.462 14.326 37.950 1.00 0.00 H ATOM 1706 HB2 SER A 108 9.631 16.486 38.595 1.00 0.00 H ATOM 1707 HB3 SER A 108 8.182 17.349 38.027 1.00 0.00 H ATOM 1708 HG SER A 108 8.506 16.366 35.957 1.00 0.00 H ATOM 1709 H SER A 108 6.442 16.104 36.969 1.00 0.00 H ATOM 1710 N LYS A 109 6.475 15.440 40.193 1.00 4.56 N ATOM 1711 CA LYS A 109 6.134 15.200 41.591 1.00 5.15 C ATOM 1712 C LYS A 109 6.214 13.708 41.916 1.00 5.16 C ATOM 1713 O LYS A 109 6.428 13.322 43.064 1.00 6.76 O ATOM 1714 CB LYS A 109 4.702 15.647 41.889 1.00 5.41 C ATOM 1715 CG LYS A 109 4.453 17.122 41.732 1.00 7.42 C ATOM 1716 CD LYS A 109 3.088 17.520 42.252 1.00 9.02 C ATOM 1717 CE LYS A 109 1.978 16.635 41.691 1.00 9.80 C ATOM 1718 NZ LYS A 109 0.616 17.137 41.994 1.00 9.55 N ATOM 1719 HA LYS A 109 6.844 15.767 42.193 1.00 0.00 H ATOM 1720 HB2 LYS A 109 4.033 15.116 41.211 1.00 0.00 H ATOM 1721 HB3 LYS A 109 4.468 15.371 42.917 1.00 0.00 H ATOM 1722 HG2 LYS A 109 5.215 17.670 42.286 1.00 0.00 H ATOM 1723 HG3 LYS A 109 4.517 17.381 40.675 1.00 0.00 H ATOM 1724 HD2 LYS A 109 3.088 17.437 43.339 1.00 0.00 H ATOM 1725 HD3 LYS A 109 2.891 18.554 41.968 1.00 0.00 H ATOM 1726 HE2 LYS A 109 2.082 15.637 42.118 1.00 0.00 H ATOM 1727 HE3 LYS A 109 2.093 16.580 40.609 1.00 0.00 H ATOM 1728 HZ1 LYS A 109 0.487 17.186 43.025 1.00 0.00 H ATOM 1729 HZ2 LYS A 109 0.498 18.085 41.584 1.00 0.00 H ATOM 1730 HZ3 LYS A 109 -0.089 16.491 41.585 1.00 0.00 H ATOM 1731 H LYS A 109 5.760 15.836 39.549 1.00 0.00 H ATOM 1732 N TYR A 110 5.990 12.880 40.910 1.00 5.31 N ATOM 1733 CA TYR A 110 5.937 11.435 41.075 1.00 5.20 C ATOM 1734 C TYR A 110 7.328 10.826 40.910 1.00 5.30 C ATOM 1735 O TYR A 110 7.820 10.130 41.787 1.00 7.01 O ATOM 1736 CB TYR A 110 4.892 10.847 40.113 1.00 4.96 C ATOM 1737 CG TYR A 110 3.482 11.289 40.463 1.00 5.53 C ATOM 1738 CD1 TYR A 110 2.641 10.478 41.211 1.00 6.34 C ATOM 1739 CD2 TYR A 110 3.005 12.539 40.093 1.00 5.94 C ATOM 1740 CE1 TYR A 110 1.372 10.897 41.575 1.00 6.63 C ATOM 1741 CE2 TYR A 110 1.733 12.964 40.444 1.00 6.14 C ATOM 1742 CZ TYR A 110 0.931 12.142 41.207 1.00 7.43 C ATOM 1743 OH TYR A 110 -0.337 12.512 41.590 1.00 7.83 O ATOM 1744 HA TYR A 110 5.618 11.182 42.086 1.00 0.00 H ATOM 1745 HB3 TYR A 110 4.942 9.759 40.161 1.00 0.00 H ATOM 1746 HB2 TYR A 110 5.122 11.175 39.100 1.00 0.00 H ATOM 1747 HD2 TYR A 110 3.646 13.202 39.512 1.00 0.00 H ATOM 1748 HE2 TYR A 110 1.370 13.939 40.120 1.00 0.00 H ATOM 1749 HE1 TYR A 110 0.725 10.238 42.153 1.00 0.00 H ATOM 1750 HD1 TYR A 110 2.986 9.491 41.519 1.00 0.00 H ATOM 1751 HH TYR A 110 -0.289 13.339 42.132 1.00 0.00 H ATOM 1752 H TYR A 110 5.845 13.278 39.960 1.00 0.00 H ATOM 1753 N LYS A 111 7.975 11.114 39.785 1.00 5.21 N ATOM 1754 CA LYS A 111 9.376 10.762 39.592 1.00 5.56 C ATOM 1755 C LYS A 111 9.968 11.875 38.770 1.00 4.34 C ATOM 1756 O LYS A 111 9.399 12.258 37.756 1.00 5.18 O ATOM 1757 CB LYS A 111 9.547 9.463 38.778 1.00 6.95 C ATOM 1758 CG LYS A 111 9.123 8.151 39.402 1.00 10.08 C ATOM 1759 CD LYS A 111 9.912 7.783 40.627 1.00 12.23 C ATOM 1760 CE LYS A 111 11.403 7.530 40.383 1.00 11.91 C ATOM 1761 NZ LYS A 111 12.009 7.023 41.664 1.00 13.10 N ATOM 1762 HA LYS A 111 9.848 10.619 40.564 1.00 0.00 H ATOM 1763 HB2 LYS A 111 8.972 9.582 37.860 1.00 0.00 H ATOM 1764 HB3 LYS A 111 10.606 9.375 38.534 1.00 0.00 H ATOM 1765 HG2 LYS A 111 8.071 8.225 39.679 1.00 0.00 H ATOM 1766 HG3 LYS A 111 9.248 7.361 38.661 1.00 0.00 H ATOM 1767 HD2 LYS A 111 9.820 8.597 41.346 1.00 0.00 H ATOM 1768 HD3 LYS A 111 9.479 6.876 41.049 1.00 0.00 H ATOM 1769 HE2 LYS A 111 11.891 8.458 40.085 1.00 0.00 H ATOM 1770 HE3 LYS A 111 11.528 6.786 39.596 1.00 0.00 H ATOM 1771 HZ1 LYS A 111 11.884 7.736 42.411 1.00 0.00 H ATOM 1772 HZ2 LYS A 111 11.537 6.140 41.944 1.00 0.00 H ATOM 1773 HZ3 LYS A 111 13.023 6.845 41.519 1.00 0.00 H ATOM 1774 H LYS A 111 7.467 11.604 39.021 1.00 0.00 H ATOM 1775 N THR A 112 11.140 12.356 39.165 1.00 3.87 N ATOM 1776 CA THR A 112 11.860 13.304 38.333 1.00 4.21 C ATOM 1777 C THR A 112 12.702 12.551 37.323 1.00 4.28 C ATOM 1778 O THR A 112 13.027 11.375 37.521 1.00 4.49 O ATOM 1779 CB THR A 112 12.771 14.172 39.172 1.00 4.32 C ATOM 1780 OG1 THR A 112 13.841 13.374 39.670 1.00 4.97 O ATOM 1781 CG2 THR A 112 12.034 14.856 40.301 1.00 4.69 C ATOM 1782 HA THR A 112 11.132 13.937 37.826 1.00 0.00 H ATOM 1783 HB THR A 112 13.166 14.967 38.540 1.00 0.00 H ATOM 1784 HG1 THR A 112 14.442 13.936 40.221 1.00 0.00 H ATOM 1785 HG23 THR A 112 11.223 15.458 39.892 1.00 0.00 H ATOM 1786 HG21 THR A 112 11.625 14.103 40.975 1.00 0.00 H ATOM 1787 HG22 THR A 112 12.725 15.498 40.848 1.00 0.00 H ATOM 1788 H THR A 112 11.545 12.053 40.074 1.00 0.00 H ATOM 1789 N MET A 113 13.083 13.205 36.233 1.00 4.21 N ATOM 1790 CA MET A 113 13.960 12.546 35.278 1.00 3.77 C ATOM 1791 C MET A 113 15.292 12.178 35.922 1.00 4.21 C ATOM 1792 O MET A 113 15.825 11.094 35.661 1.00 4.31 O ATOM 1793 CB MET A 113 14.172 13.398 34.040 1.00 3.90 C ATOM 1794 CG MET A 113 12.933 13.481 33.177 1.00 4.73 C ATOM 1795 SD MET A 113 13.143 14.312 31.620 1.00 5.74 S ATOM 1796 CE MET A 113 13.076 15.979 32.135 1.00 7.42 C ATOM 1797 HA MET A 113 13.471 11.624 34.964 1.00 0.00 H ATOM 1798 HB2 MET A 113 14.450 14.405 34.351 1.00 0.00 H ATOM 1799 HB3 MET A 113 14.981 12.965 33.451 1.00 0.00 H ATOM 1800 HG2 MET A 113 12.165 14.011 33.741 1.00 0.00 H ATOM 1801 HG3 MET A 113 12.596 12.465 32.973 1.00 0.00 H ATOM 1802 HE1 MET A 113 12.114 16.173 32.610 1.00 0.00 H ATOM 1803 HE2 MET A 113 13.879 16.171 32.847 1.00 0.00 H ATOM 1804 HE3 MET A 113 13.193 16.630 31.269 1.00 0.00 H ATOM 1805 H MET A 113 12.758 14.178 36.063 1.00 0.00 H ATOM 1806 N LYS A 114 15.820 13.055 36.768 1.00 4.23 N ATOM 1807 CA LYS A 114 17.096 12.768 37.402 1.00 4.96 C ATOM 1808 C LYS A 114 17.011 11.506 38.242 1.00 5.39 C ATOM 1809 O LYS A 114 17.950 10.708 38.275 1.00 5.58 O ATOM 1810 CB LYS A 114 17.549 13.935 38.278 1.00 5.17 C ATOM 1811 CG LYS A 114 18.913 13.713 38.912 1.00 6.89 C ATOM 1812 CD LYS A 114 19.426 14.979 39.531 1.00 9.05 C ATOM 1813 CE LYS A 114 20.729 14.818 40.262 1.00 10.47 C ATOM 1814 NZ LYS A 114 21.139 16.109 40.894 1.00 9.08 N ATOM 1815 HA LYS A 114 17.828 12.618 36.609 1.00 0.00 H ATOM 1816 HB2 LYS A 114 17.595 14.833 37.662 1.00 0.00 H ATOM 1817 HB3 LYS A 114 16.816 14.077 39.072 1.00 0.00 H ATOM 1818 HG2 LYS A 114 18.829 12.947 39.683 1.00 0.00 H ATOM 1819 HG3 LYS A 114 19.613 13.380 38.146 1.00 0.00 H ATOM 1820 HD2 LYS A 114 19.565 15.716 38.740 1.00 0.00 H ATOM 1821 HD3 LYS A 114 18.679 15.343 40.237 1.00 0.00 H ATOM 1822 HE2 LYS A 114 21.499 14.503 39.558 1.00 0.00 H ATOM 1823 HE3 LYS A 114 20.615 14.060 41.037 1.00 0.00 H ATOM 1824 HZ1 LYS A 114 21.252 16.834 40.157 1.00 0.00 H ATOM 1825 HZ2 LYS A 114 20.408 16.411 41.569 1.00 0.00 H ATOM 1826 HZ3 LYS A 114 22.041 15.978 41.394 1.00 0.00 H ATOM 1827 H LYS A 114 15.322 13.944 36.976 1.00 0.00 H ATOM 1828 N SER A 115 15.894 11.324 38.917 1.00 5.20 N ATOM 1829 CA SER A 115 15.773 10.195 39.826 1.00 5.12 C ATOM 1830 C SER A 115 15.802 8.845 39.118 1.00 5.59 C ATOM 1831 O SER A 115 16.163 7.845 39.716 1.00 5.37 O ATOM 1832 CB SER A 115 14.527 10.310 40.698 1.00 5.47 C ATOM 1833 OG SER A 115 13.340 10.181 39.940 1.00 4.48 O ATOM 1834 HA SER A 115 16.655 10.237 40.465 1.00 0.00 H ATOM 1835 HB2 SER A 115 14.528 11.283 41.189 1.00 0.00 H ATOM 1836 HB3 SER A 115 14.551 9.524 41.453 1.00 0.00 H ATOM 1837 HG SER A 115 13.308 10.896 39.256 1.00 0.00 H ATOM 1838 H SER A 115 15.101 11.986 38.800 1.00 0.00 H ATOM 1839 N VAL A 116 15.447 8.816 37.843 1.00 5.87 N ATOM 1840 CA VAL A 116 15.504 7.585 37.075 1.00 6.32 C ATOM 1841 C VAL A 116 16.930 7.081 36.996 1.00 6.32 C ATOM 1842 O VAL A 116 17.164 5.883 36.967 1.00 7.65 O ATOM 1843 CB VAL A 116 14.946 7.790 35.670 1.00 6.03 C ATOM 1844 CG1 VAL A 116 15.038 6.517 34.848 1.00 7.16 C ATOM 1845 CG2 VAL A 116 13.508 8.234 35.791 1.00 7.16 C ATOM 1846 HA VAL A 116 14.890 6.842 37.583 1.00 0.00 H ATOM 1847 HB VAL A 116 15.535 8.550 35.156 1.00 0.00 H ATOM 1848 HG11 VAL A 116 16.082 6.214 34.766 1.00 0.00 H ATOM 1849 HG12 VAL A 116 14.466 5.728 35.337 1.00 0.00 H ATOM 1850 HG13 VAL A 116 14.632 6.698 33.853 1.00 0.00 H ATOM 1851 HG21 VAL A 116 12.935 7.468 36.313 1.00 0.00 H ATOM 1852 HG22 VAL A 116 13.463 9.168 36.351 1.00 0.00 H ATOM 1853 HG23 VAL A 116 13.091 8.386 34.795 1.00 0.00 H ATOM 1854 H VAL A 116 15.122 9.690 37.383 1.00 0.00 H ATOM 1855 N ASP A 117 17.897 7.994 36.992 1.00 7.15 N ATOM 1856 CA ASP A 117 19.300 7.587 36.912 1.00 8.55 C ATOM 1857 C ASP A 117 19.818 6.813 38.101 1.00 10.27 C ATOM 1858 O ASP A 117 20.846 6.124 37.997 1.00 11.84 O ATOM 1859 CB ASP A 117 20.202 8.788 36.694 1.00 9.33 C ATOM 1860 CG ASP A 117 20.309 9.154 35.266 1.00 10.07 C ATOM 1861 OD1 ASP A 117 20.009 8.301 34.394 1.00 12.25 O ATOM 1862 OD2 ASP A 117 20.716 10.293 35.003 1.00 13.14 O ATOM 1863 HA ASP A 117 19.326 6.907 36.060 1.00 0.00 H ATOM 1864 HB2 ASP A 117 19.796 9.637 37.245 1.00 0.00 H ATOM 1865 HB3 ASP A 117 21.197 8.553 37.072 1.00 0.00 H ATOM 1866 H ASP A 117 17.654 9.004 37.046 1.00 0.00 H ATOM 1867 N PHE A 118 19.145 6.925 39.234 1.00 10.16 N ATOM 1868 CA PHE A 118 19.600 6.219 40.425 1.00 11.30 C ATOM 1869 C PHE A 118 19.071 4.784 40.477 1.00 11.98 C ATOM 1870 O PHE A 118 19.447 4.010 41.352 1.00 13.79 O ATOM 1871 CB PHE A 118 19.181 6.978 41.669 1.00 10.85 C ATOM 1872 CG PHE A 118 19.693 8.396 41.735 1.00 10.53 C ATOM 1873 CD1 PHE A 118 21.047 8.671 41.817 1.00 11.23 C ATOM 1874 CD2 PHE A 118 18.810 9.456 41.765 1.00 11.12 C ATOM 1875 CE1 PHE A 118 21.501 9.968 41.938 1.00 12.15 C ATOM 1876 CE2 PHE A 118 19.255 10.760 41.872 1.00 10.92 C ATOM 1877 CZ PHE A 118 20.595 11.025 41.947 1.00 12.18 C ATOM 1878 HA PHE A 118 20.688 6.164 40.382 1.00 0.00 H ATOM 1879 HB2 PHE A 118 18.092 7.006 41.701 1.00 0.00 H ATOM 1880 HB3 PHE A 118 19.555 6.439 42.540 1.00 0.00 H ATOM 1881 HD2 PHE A 118 17.739 9.261 41.703 1.00 0.00 H ATOM 1882 HE2 PHE A 118 18.537 11.579 41.897 1.00 0.00 H ATOM 1883 HZ PHE A 118 20.950 12.054 42.013 1.00 0.00 H ATOM 1884 HE1 PHE A 118 22.569 10.165 42.027 1.00 0.00 H ATOM 1885 HD1 PHE A 118 21.765 7.851 41.786 1.00 0.00 H ATOM 1886 H PHE A 118 18.291 7.517 39.275 1.00 0.00 H ATOM 1887 N LEU A 119 18.196 4.414 39.551 1.00 13.03 N ATOM 1888 CA LEU A 119 17.524 3.120 39.632 1.00 14.62 C ATOM 1889 C LEU A 119 18.340 1.994 39.012 1.00 15.86 C ATOM 1890 O LEU A 119 19.309 2.222 38.291 1.00 17.39 O ATOM 1891 CB LEU A 119 16.151 3.214 38.966 1.00 14.14 C ATOM 1892 CG LEU A 119 15.182 4.176 39.655 1.00 14.36 C ATOM 1893 CD1 LEU A 119 13.857 4.242 38.938 1.00 15.84 C ATOM 1894 CD2 LEU A 119 14.975 3.753 41.106 1.00 15.13 C ATOM 1895 HA LEU A 119 17.409 2.875 40.688 1.00 0.00 H ATOM 1896 OXT LEU A 119 18.042 0.814 39.240 1.00 17.85 O ATOM 1897 HB2 LEU A 119 16.292 3.549 37.938 1.00 0.00 H ATOM 1898 HB3 LEU A 119 15.703 2.220 38.965 1.00 0.00 H ATOM 1899 HG LEU A 119 15.622 5.173 39.626 1.00 0.00 H ATOM 1900 HD21 LEU A 119 14.562 2.745 41.134 1.00 0.00 H ATOM 1901 HD22 LEU A 119 15.932 3.770 41.628 1.00 0.00 H ATOM 1902 HD23 LEU A 119 14.284 4.443 41.589 1.00 0.00 H ATOM 1903 HD11 LEU A 119 14.015 4.587 37.916 1.00 0.00 H ATOM 1904 HD12 LEU A 119 13.404 3.251 38.922 1.00 0.00 H ATOM 1905 HD13 LEU A 119 13.198 4.936 39.459 1.00 0.00 H ATOM 1906 H LEU A 119 17.986 5.053 38.758 1.00 0.00 H TER 1907 LEU A 119 HETATM 1908 O HOH 1 -1.363 20.403 25.572 1.00 22.04 O HETATM 1909 O HOH 2 6.098 0.529 28.867 1.00 39.35 O HETATM 1910 O HOH 3 -5.246 20.685 30.022 1.00 33.29 O HETATM 1911 O HOH 4 -5.033 17.791 24.592 1.00 23.95 O HETATM 1912 O HOH 5 8.464 13.148 45.481 1.00 27.01 O HETATM 1913 O HOH 6 6.315 35.564 34.915 1.00 22.93 O HETATM 1914 O HOH 7 14.661 29.462 35.207 1.00 29.05 O HETATM 1915 O HOH 8 -5.347 19.194 16.816 1.00 27.43 O HETATM 1916 O HOH 9 5.609 29.075 18.682 1.00 70.29 O HETATM 1917 O HOH 10 25.279 24.128 27.754 1.00 93.23 O HETATM 1918 O HOH 11 -5.096 5.669 34.079 1.00 26.86 O HETATM 1919 O HOH 12 23.141 31.687 30.967 1.00 34.26 O HETATM 1920 O HOH 13 2.572 24.032 41.574 1.00 49.15 O HETATM 1921 O HOH 14 19.716 -0.238 36.978 1.00 24.92 O HETATM 1922 O HOH 15 -6.770 8.397 31.078 1.00 21.61 O HETATM 1923 O HOH 16 0.440 23.750 19.376 1.00 45.76 O HETATM 1924 O HOH 17 -1.301 27.523 19.443 1.00 12.78 O HETATM 1925 O HOH 18 20.396 1.125 27.410 1.00 74.95 O HETATM 1926 O HOH 19 21.483 2.877 31.002 1.00 19.56 O HETATM 1927 O HOH 20 16.537 -5.154 25.799 1.00 12.12 O HETATM 1928 O HOH 21 21.954 13.952 27.641 1.00 17.27 O HETATM 1929 O HOH 22 6.688 14.852 45.253 1.00 24.77 O HETATM 1930 O HOH 23 -5.075 17.743 36.021 1.00 17.44 O HETATM 1931 O HOH 24 -4.151 18.348 29.379 1.00 21.47 O HETATM 1932 O HOH 25 -0.423 1.344 30.752 1.00 28.69 O HETATM 1933 O HOH 26 23.165 13.697 30.031 1.00 27.16 O HETATM 1934 O HOH 27 18.681 -2.939 28.838 1.00 26.59 O HETATM 1935 O HOH 28 23.513 12.983 33.829 1.00 25.23 O HETATM 1936 O HOH 29 -6.805 21.523 37.032 1.00 25.30 O HETATM 1937 O HOH 30 4.957 32.021 30.415 1.00 35.90 O HETATM 1938 O HOH 31 22.842 4.743 35.801 1.00 23.33 O HETATM 1939 O HOH 32 21.071 11.029 38.918 1.00 29.41 O HETATM 1940 O HOH 33 7.321 29.707 22.831 1.00 27.62 O HETATM 1941 O HOH 34 11.296 -1.764 33.043 1.00 29.88 O HETATM 1942 O HOH 35 -4.532 25.030 23.979 1.00 28.38 O HETATM 1943 O HOH 36 1.512 -2.112 33.424 1.00 29.99 O HETATM 1944 O HOH 37 5.995 31.718 19.463 1.00 33.21 O HETATM 1945 O HOH 38 10.186 16.538 16.402 1.00 24.15 O HETATM 1946 O HOH 39 8.955 25.743 40.279 1.00 29.91 O HETATM 1947 O HOH 40 2.712 25.795 38.393 1.00 32.16 O HETATM 1948 O HOH 41 22.834 5.038 31.856 1.00 28.36 O HETATM 1949 O HOH 42 24.558 14.552 22.880 1.00 37.52 O HETATM 1950 O HOH 43 4.070 5.702 21.822 1.00 39.24 O HETATM 1951 O HOH 44 22.628 1.686 26.172 1.00 34.95 O HETATM 1952 O HOH 45 20.991 20.916 41.993 1.00 24.66 O HETATM 1953 O HOH 46 -7.290 14.910 35.041 1.00 23.99 O HETATM 1954 O HOH 47 23.178 19.987 38.809 1.00 26.36 O HETATM 1955 O HOH 48 0.167 23.706 37.550 1.00 29.54 O HETATM 1956 O HOH 49 7.630 4.759 24.885 1.00 46.81 O HETATM 1957 O HOH 50 9.878 23.051 42.219 1.00 27.48 O HETATM 1958 O HOH 51 -6.152 14.726 26.580 1.00 46.64 O HETATM 1959 O HOH 52 19.378 6.511 23.056 1.00 5.39 O HETATM 1960 O HOH 53 19.218 18.532 28.453 1.00 5.92 O HETATM 1961 O HOH 54 11.948 15.813 35.865 1.00 5.21 O HETATM 1962 O HOH 55 9.413 22.488 21.964 1.00 5.76 O HETATM 1963 O HOH 56 15.468 14.876 41.207 1.00 6.77 O HETATM 1964 O HOH 57 11.081 23.481 20.116 1.00 5.25 O HETATM 1965 O HOH 58 17.837 29.064 28.609 1.00 9.12 O HETATM 1966 O HOH 59 13.143 24.944 35.246 1.00 8.05 O HETATM 1967 O HOH 60 17.274 11.489 33.315 1.00 6.22 O HETATM 1968 O HOH 61 14.797 7.236 42.056 1.00 8.86 O HETATM 1969 O HOH 62 1.210 21.374 25.276 1.00 10.82 O HETATM 1970 O HOH 63 7.304 19.343 40.301 1.00 11.92 O HETATM 1971 O HOH 64 18.195 9.044 32.566 1.00 8.76 O HETATM 1972 O HOH 65 2.080 21.699 37.330 1.00 9.40 O HETATM 1973 O HOH 66 12.174 10.675 19.593 1.00 12.51 O HETATM 1974 O HOH 67 15.497 30.275 29.376 1.00 11.50 O HETATM 1975 O HOH 68 24.050 26.586 31.860 1.00 12.59 O HETATM 1976 O HOH 69 15.648 19.192 43.627 1.00 10.08 O HETATM 1977 O HOH 70 9.331 20.139 20.217 1.00 14.71 O HETATM 1978 O HOH 71 6.839 25.038 20.096 1.00 11.74 O HETATM 1979 O HOH 72 22.588 18.654 23.862 1.00 15.04 O HETATM 1980 O HOH 73 23.151 6.087 24.315 1.00 10.94 O HETATM 1981 O HOH 74 4.774 14.219 19.042 1.00 12.05 O HETATM 1982 O HOH 75 -5.068 11.715 41.704 1.00 13.20 O HETATM 1983 O HOH 76 8.646 22.205 39.786 1.00 10.85 O HETATM 1984 O HOH 77 21.884 8.199 25.857 1.00 12.56 O HETATM 1985 O HOH 78 21.680 28.368 26.260 1.00 19.59 O HETATM 1986 O HOH 79 -7.509 10.267 42.114 1.00 15.29 O HETATM 1987 O HOH 80 9.719 15.919 42.723 1.00 9.53 O HETATM 1988 O HOH 81 3.530 -0.055 37.383 1.00 13.90 O HETATM 1989 O HOH 82 -5.361 4.829 41.811 1.00 14.61 O HETATM 1990 O HOH 83 13.995 16.899 19.226 1.00 17.21 O HETATM 1991 O HOH 84 7.714 30.164 36.673 1.00 23.79 O HETATM 1992 O HOH 85 21.852 16.930 20.692 1.00 14.14 O HETATM 1993 O HOH 86 14.017 -0.142 24.781 1.00 14.06 O HETATM 1994 O HOH 87 7.815 6.025 22.449 1.00 15.23 O HETATM 1995 O HOH 88 14.198 -2.971 33.922 1.00 12.10 O HETATM 1996 O HOH 89 -0.928 30.299 23.099 1.00 13.20 O HETATM 1997 O HOH 90 3.322 31.660 25.332 1.00 12.88 O HETATM 1998 O HOH 91 -1.847 31.314 30.541 1.00 17.24 O HETATM 1999 O HOH 92 5.771 20.776 42.104 1.00 16.08 O HETATM 2000 O HOH 93 11.629 33.183 29.509 1.00 15.37 O HETATM 2001 O HOH 94 9.327 18.400 41.720 1.00 15.12 O HETATM 2002 O HOH 95 0.282 13.490 14.397 1.00 15.98 O HETATM 2003 O HOH 96 21.148 14.547 33.695 1.00 12.88 O HETATM 2004 O HOH 97 22.888 7.388 28.346 1.00 23.44 O HETATM 2005 O HOH 98 15.062 26.789 35.982 1.00 16.92 O HETATM 2006 O HOH 99 20.067 22.017 38.736 1.00 15.76 O HETATM 2007 O HOH 100 18.726 31.834 30.183 1.00 16.81 O HETATM 2008 O HOH 101 8.634 14.788 18.205 1.00 18.37 O HETATM 2009 O HOH 102 10.556 12.167 18.167 1.00 24.91 O HETATM 2010 O HOH 103 2.146 20.153 39.559 1.00 16.87 O HETATM 2011 O HOH 104 0.386 18.583 44.471 1.00 15.33 O HETATM 2012 O HOH 105 20.018 17.531 36.600 1.00 20.19 O HETATM 2013 O HOH 106 -0.178 19.346 40.666 1.00 16.53 O HETATM 2014 O HOH 107 13.150 -3.888 26.576 1.00 26.08 O HETATM 2015 O HOH 108 16.614 33.427 33.720 1.00 15.53 O HETATM 2016 O HOH 109 -2.801 18.435 31.768 1.00 15.41 O HETATM 2017 O HOH 110 13.706 26.209 38.676 1.00 23.49 O HETATM 2018 O HOH 111 19.150 29.726 35.784 1.00 22.57 O HETATM 2019 O HOH 112 -3.955 8.269 24.992 1.00 84.01 O HETATM 2020 O HOH 113 2.320 -2.073 40.053 1.00 16.88 O HETATM 2021 O HOH 114 22.314 6.746 33.949 1.00 15.65 O HETATM 2022 O HOH 115 1.858 4.227 24.896 1.00 19.93 O HETATM 2023 O HOH 116 12.365 33.241 32.302 1.00 14.89 O HETATM 2024 O HOH 117 21.317 17.479 29.743 1.00 10.98 O HETATM 2025 O HOH 118 -6.255 7.452 35.831 1.00 16.20 O HETATM 2026 O HOH 119 3.284 21.407 41.502 1.00 17.89 O HETATM 2027 O HOH 120 13.491 31.660 28.050 1.00 15.52 O HETATM 2028 O HOH 121 20.725 29.638 33.498 1.00 18.50 O HETATM 2029 O HOH 122 -6.968 11.068 31.402 1.00 59.09 O HETATM 2030 O HOH 123 10.287 32.675 34.522 1.00 20.24 O HETATM 2031 O HOH 124 3.510 30.256 37.610 1.00 28.84 O HETATM 2032 O HOH 125 8.227 7.557 21.561 1.00 28.46 O HETATM 2033 O HOH 126 10.099 17.571 19.281 1.00 32.58 O HETATM 2034 O HOH 127 22.520 11.620 36.464 1.00 25.97 O HETATM 2035 O HOH 128 19.473 12.597 34.504 1.00 7.97 O HETATM 2036 O HOH 129 17.258 21.815 40.774 1.00 23.54 O HETATM 2037 O HOH 130 7.657 12.163 18.011 1.00 24.12 O HETATM 2038 O HOH 131 10.440 -1.393 35.478 1.00 16.55 O HETATM 2039 O HOH 132 23.001 5.038 29.152 1.00 22.66 O HETATM 2040 O HOH 133 7.387 27.785 38.348 1.00 21.77 O HETATM 2041 O HOH 134 -2.834 26.050 35.979 1.00 25.49 O HETATM 2042 O HOH 135 21.971 16.742 27.384 1.00 24.73 O HETATM 2043 O HOH 136 -7.659 8.424 40.129 1.00 30.73 O HETATM 2044 O HOH 137 18.414 31.538 27.395 1.00 17.16 O HETATM 2045 O HOH 138 -2.325 17.991 42.964 1.00 30.21 O HETATM 2046 O HOH 139 21.178 1.953 40.669 1.00 56.72 O HETATM 2047 O HOH 140 22.422 10.069 23.495 1.00 50.24 O HETATM 2048 O HOH 141 10.930 5.767 18.435 1.00 25.37 O HETATM 2049 O HOH 142 24.415 4.036 25.911 1.00 25.92 O HETATM 2050 O HOH 143 5.480 7.344 25.964 1.00 21.27 O HETATM 2051 O HOH 144 7.726 28.580 25.231 1.00 14.12 O HETATM 2052 O HOH 145 11.747 -2.310 24.678 1.00 23.84 O HETATM 2053 O HOH 146 2.302 6.399 23.522 1.00 43.82 O HETATM 2054 O HOH 147 6.028 19.211 44.515 1.00 27.32 O HETATM 2055 O HOH 148 -4.730 23.206 37.047 1.00 21.62 O HETATM 2056 O HOH 149 7.132 21.628 19.205 1.00 20.96 O HETATM 2057 O HOH 150 -5.105 29.287 30.990 1.00 30.11 O HETATM 2058 O HOH 151 -0.909 7.483 23.371 1.00 78.57 O HETATM 2059 O HOH 152 -7.769 17.266 22.886 1.00 86.71 O HETATM 2060 O HOH 153 22.627 22.365 37.699 1.00 22.51 O HETATM 2061 O HOH 154 7.457 28.152 20.186 1.00 54.62 O HETATM 2062 O HOH 155 5.366 20.001 16.638 1.00 25.28 O HETATM 2063 O HOH 156 8.604 34.632 35.259 1.00 28.76 O HETATM 2064 O HOH 157 -8.841 12.967 41.558 1.00 55.77 O HETATM 2065 O HOH 158 -6.996 15.265 29.115 1.00 22.04 O HETATM 2066 O HOH 159 -1.930 14.790 14.838 1.00 33.16 O HETATM 2067 O HOH 160 8.136 16.790 44.752 1.00 23.50 O HETATM 2068 O HOH 161 12.594 -2.947 36.641 1.00 43.27 O HETATM 2069 O HOH 162 18.398 27.974 37.592 1.00 23.17 O HETATM 2070 O HOH 163 5.216 26.578 39.550 1.00 24.24 O HETATM 2071 O HOH 164 3.982 24.332 19.883 1.00 25.94 O HETATM 2072 O HOH 165 8.215 34.442 31.431 1.00 22.93 O HETATM 2073 O HOH 166 2.227 13.870 16.174 1.00 14.25 O HETATM 2074 O HOH 167 20.949 14.896 30.774 1.00 12.70 O HETATM 2075 O HOH 168 -3.019 30.794 24.956 1.00 16.37 O HETATM 2076 O HOH 169 -1.852 2.506 35.877 1.00 18.00 O HETATM 2077 O HOH 170 5.936 16.085 17.239 1.00 23.59 O HETATM 2078 O HOH 171 -3.781 16.715 16.301 1.00 19.41 O HETATM 2079 C1 CTV A 172 8.429 10.545 29.637 1.00 -0.13 C HETATM 2080 C3 CTV A 172 8.486 11.866 29.584 1.00 -0.08 C HETATM 2081 C2 CTV A 172 8.032 12.488 28.476 1.00 -0.03 C HETATM 2082 H6 CTV A 172 8.150 13.575 28.592 1.00 0.04 H HETATM 2083 H7 CTV A 172 6.968 12.248 28.330 1.00 0.04 H HETATM 2084 H8 CTV A 172 8.608 12.148 27.603 1.00 0.04 H HETATM 2085 C4 CTV A 172 8.615 12.679 30.883 1.00 -0.02 C HETATM 2086 C5 CTV A 172 9.833 12.703 31.607 1.00 -0.04 C HETATM 2087 C6 CTV A 172 10.010 11.425 32.359 1.00 -0.05 C HETATM 2088 C7 CTV A 172 9.917 11.523 33.924 1.00 -0.04 C HETATM 2089 C8 CTV A 172 9.417 12.681 34.679 1.00 -0.01 C HETATM 2090 C10 CTV A 172 8.913 13.844 34.005 1.00 -0.04 C HETATM 2091 N1 CTV A 172 8.311 15.057 33.294 1.00 0.22 N HETATM 2092 H3 CTV A 172 9.048 15.693 33.032 1.00 0.20 H HETATM 2093 H4 CTV A 172 7.668 15.525 33.914 1.00 0.20 H HETATM 2094 H5 CTV A 172 7.820 14.753 32.468 1.00 0.20 H HETATM 2095 H21 CTV A 172 9.416 14.500 34.730 1.00 0.08 H HETATM 2096 H22 CTV A 172 9.582 13.658 33.152 1.00 0.08 H HETATM 2097 H16 CTV A 172 10.248 13.023 35.313 1.00 0.03 H HETATM 2098 H17 CTV A 172 8.600 12.310 35.315 1.00 0.03 H HETATM 2099 C9 CTV A 172 10.283 10.212 34.818 1.00 -0.06 C HETATM 2100 H18 CTV A 172 10.645 9.409 34.160 1.00 0.02 H HETATM 2101 H19 CTV A 172 9.385 9.870 35.353 1.00 0.02 H HETATM 2102 H20 CTV A 172 11.066 10.471 35.545 1.00 0.02 H HETATM 2103 H15 CTV A 172 10.947 11.906 33.972 1.00 0.03 H HETATM 2104 H13 CTV A 172 11.002 11.021 32.106 1.00 0.03 H HETATM 2105 H14 CTV A 172 9.232 10.725 32.020 1.00 0.03 H HETATM 2106 H11 CTV A 172 9.818 13.543 32.317 1.00 0.03 H HETATM 2107 H12 CTV A 172 10.671 12.831 30.905 1.00 0.03 H HETATM 2108 H9 CTV A 172 7.849 12.294 31.572 1.00 0.05 H HETATM 2109 H10 CTV A 172 8.384 13.723 30.624 1.00 0.05 H HETATM 2110 H1 CTV A 172 8.338 9.967 28.719 1.00 0.01 H HETATM 2111 H2 CTV A 172 8.473 10.036 30.599 1.00 0.01 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 275 274 768 CONECT 768 275 767 CONECT 1403 1402 1678 CONECT 1678 1403 1677 CONECT 2079 2080 2110 2111 CONECT 2080 2079 2081 2085 CONECT 2081 2080 2082 2083 2084 CONECT 2082 2081 CONECT 2083 2081 CONECT 2084 2081 CONECT 2085 2080 2086 2108 2109 CONECT 2086 2085 2087 2106 2107 CONECT 2087 2086 2088 2104 2105 CONECT 2088 2087 2089 2099 2103 CONECT 2089 2088 2090 2097 2098 CONECT 2090 2089 2091 2095 2096 CONECT 2091 2090 2092 2093 2094 CONECT 2092 2091 CONECT 2093 2091 CONECT 2094 2091 CONECT 2095 2090 CONECT 2096 2090 CONECT 2097 2089 CONECT 2098 2089 CONECT 2099 2088 2100 2101 2102 CONECT 2100 2099 CONECT 2101 2099 CONECT 2102 2099 CONECT 2103 2088 CONECT 2104 2087 CONECT 2105 2087 CONECT 2106 2086 CONECT 2107 2086 CONECT 2108 2085 CONECT 2109 2085 CONECT 2110 2079 CONECT 2111 2079 MASTER 0 0 0 0 0 0 0 0 2110 1 41 10 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 3s0d
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
3s0b
RCSB PDB
PDBbind
119aa, >3S0B_1|Chain... *
3s0e
RCSB PDB
PDBbind
119aa, >3S0E_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
3s0d
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Apis mellifera Odorant-Binding Proteins (OBP14)
Ligand Name
CTV
EC.Number
E.C.-.-.-.-
Resolution
1.24(Å)
Affinity (Kd/Ki/IC50)
Kd=90nM
Release Year
2011
Protein/NA Sequence
Check fasta file
Primary Reference
(2012) Insect Biochem.Mol.Biol. Vol. 42: pp. 41-50
Ligand Properties
Formula
C
1
0
H
2
2
N
Molecular Weight
156.288
Exact Mass
156.175
No. of atoms
33
No. of bonds
32
Polar Surface Area
27.64
LOGP Value
3.25 (
Computed with XLOGP3
)
2.00 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 0
No. of Rotatable Bonds: 6
No. of Nitrogen and Oxygen Atoms: 1
No. of Rings: 0
Canonical SMILES
[NH3+]CC[C@H](CCCC(=C)C)C
InChI String
InChI=1S/C10H21N/c1-9(2)5-4-6-10(3)7-8-11/h10H,1,4-8,11H2,2-3H3/p+1/t10-/m0/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):
Q1W640
Entrez Gene ID
NCBI Entrez Gene ID:
677673
ASD
Information of known allosteric effects of PDB entries
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