Browse entries in the PDBbind-CN Database
HEADER 5YPY_COMPLEX COMPND 5YPY_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 91 HIS ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS SEQRES 2 A 91 PRO GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG SEQRES 3 A 91 ARG ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE SEQRES 4 A 91 GLN ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN SEQRES 5 A 91 ASP ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP SEQRES 6 A 91 LYS LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER SEQRES 7 A 91 ASP PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN SEQRES 1 B 90 ASP ASN VAL ILE LEU GLU LEU THR VAL ARG ASN HIS PRO SEQRES 2 B 90 GLY VAL MET THR HIS VAL CYS GLY LEU PHE ALA ARG ARG SEQRES 3 B 90 ALA PHE ASN VAL GLU GLY ILE LEU CYS LEU PRO ILE GLN SEQRES 4 B 90 ASP SER ASP LYS SER HIS ILE TRP LEU LEU VAL ASN ASP SEQRES 5 B 90 ASP GLN ARG LEU GLU GLN MET ILE SER GLN ILE ASP LYS SEQRES 6 B 90 LEU GLU ASP VAL VAL LYS VAL GLN ARG ASN GLN SER ASP SEQRES 7 B 90 PRO THR MET PHE ASN LYS ILE ALA VAL PHE PHE GLN HET VAL A 225 19 ATOM 1 N HIS A 8 -45.352 28.638 33.342 1.00138.50 N ATOM 2 CA HIS A 8 -44.088 27.924 33.497 1.00131.13 C ATOM 3 C HIS A 8 -43.162 28.611 34.517 1.00122.70 C ATOM 4 O HIS A 8 -42.476 29.593 34.202 1.00125.05 O ATOM 5 CB HIS A 8 -43.393 27.782 32.136 1.00132.20 C ATOM 6 CG HIS A 8 -43.170 29.083 31.417 1.00136.67 C ATOM 7 ND1 HIS A 8 -42.047 29.863 31.615 1.00135.02 N ATOM 8 CD2 HIS A 8 -43.920 29.733 30.493 1.00140.23 C ATOM 9 CE1 HIS A 8 -42.117 30.936 30.846 1.00136.30 C ATOM 10 NE2 HIS A 8 -43.243 30.882 30.156 1.00139.68 N ATOM 11 HN3 HIS A 8 -45.164 29.606 33.012 1.00 0.00 H ATOM 12 HN2 HIS A 8 -45.844 28.673 34.258 1.00 0.00 H ATOM 13 HN1 HIS A 8 -45.946 28.142 32.647 1.00 0.00 H ATOM 14 N ASP A 9 -43.153 28.082 35.745 1.00113.13 N ATOM 15 CA ASP A 9 -42.278 28.574 36.813 1.00 94.83 C ATOM 16 C ASP A 9 -40.920 27.866 36.725 1.00 68.39 C ATOM 17 O ASP A 9 -40.553 27.015 37.545 1.00 62.52 O ATOM 18 CB ASP A 9 -42.936 28.374 38.172 1.00103.36 C ATOM 19 CG ASP A 9 -42.746 29.570 39.090 1.00110.71 C ATOM 20 OD1 ASP A 9 -41.882 30.420 38.754 1.00111.32 O ATOM 21 OD2 ASP A 9 -43.458 29.663 40.126 1.00113.00 O ATOM 22 H ASP A 9 -43.793 27.289 35.951 1.00 0.00 H ATOM 23 N ASN A 10 -40.174 28.231 35.682 1.00 50.05 N ATOM 24 CA ASN A 10 -38.825 27.747 35.477 1.00 45.77 C ATOM 25 C ASN A 10 -37.799 28.829 35.752 1.00 39.89 C ATOM 26 O ASN A 10 -38.064 30.009 35.593 1.00 49.56 O ATOM 27 CB ASN A 10 -38.626 27.245 34.046 1.00 53.82 C ATOM 28 CG ASN A 10 -39.419 26.003 33.758 1.00 60.68 C ATOM 29 OD1 ASN A 10 -39.193 24.957 34.371 1.00 67.45 O ATOM 30 ND2 ASN A 10 -40.361 26.104 32.831 1.00 61.66 N ATOM 31 HD22 ASN A 10 -40.514 27.009 32.341 1.00 0.00 H ATOM 32 HD21 ASN A 10 -40.947 25.279 32.593 1.00 0.00 H ATOM 33 H ASN A 10 -40.578 28.891 34.987 1.00 0.00 H ATOM 34 N VAL A 11 -36.594 28.414 36.091 1.00 34.19 N ATOM 35 CA VAL A 11 -35.504 29.364 36.185 1.00 39.97 C ATOM 36 C VAL A 11 -34.376 28.776 35.370 1.00 38.71 C ATOM 37 O VAL A 11 -34.303 27.551 35.167 1.00 34.81 O ATOM 38 CB VAL A 11 -35.069 29.650 37.656 1.00 48.33 C ATOM 39 CG1 VAL A 11 -36.004 28.980 38.606 1.00 47.25 C ATOM 40 CG2 VAL A 11 -33.687 29.169 37.922 1.00 46.33 C ATOM 41 H VAL A 11 -36.426 27.407 36.290 1.00 0.00 H ATOM 42 N ILE A 12 -33.507 29.654 34.873 1.00 33.49 N ATOM 43 CA ILE A 12 -32.323 29.229 34.150 1.00 30.31 C ATOM 44 C ILE A 12 -31.096 29.571 34.961 1.00 26.41 C ATOM 45 O ILE A 12 -30.871 30.734 35.299 1.00 34.73 O ATOM 46 CB ILE A 12 -32.247 29.884 32.766 1.00 28.58 C ATOM 47 CG1 ILE A 12 -33.480 29.481 31.977 1.00 28.77 C ATOM 48 CG2 ILE A 12 -30.902 29.543 32.152 1.00 27.81 C ATOM 49 CD1 ILE A 12 -33.417 29.886 30.426 1.00 36.05 C ATOM 50 H ILE A 12 -33.681 30.671 35.006 1.00 0.00 H ATOM 51 N LEU A 13 -30.275 28.572 35.235 1.00 25.11 N ATOM 52 CA LEU A 13 -28.995 28.760 35.906 1.00 31.12 C ATOM 53 C LEU A 13 -27.930 28.770 34.841 1.00 34.76 C ATOM 54 O LEU A 13 -27.860 27.843 34.031 1.00 37.43 O ATOM 55 CB LEU A 13 -28.732 27.621 36.913 1.00 26.26 C ATOM 56 CG LEU A 13 -29.804 27.506 37.968 1.00 30.54 C ATOM 57 CD1 LEU A 13 -29.488 26.310 38.927 1.00 33.29 C ATOM 58 CD2 LEU A 13 -29.837 28.842 38.750 1.00 34.73 C ATOM 59 H LEU A 13 -30.555 27.609 34.960 1.00 0.00 H ATOM 60 N GLU A 14 -27.129 29.811 34.800 1.00 33.54 N ATOM 61 CA GLU A 14 -26.020 29.808 33.870 1.00 36.06 C ATOM 62 C GLU A 14 -24.747 29.655 34.672 1.00 38.01 C ATOM 63 O GLU A 14 -24.411 30.526 35.482 1.00 44.62 O ATOM 64 CB GLU A 14 -25.975 31.075 33.018 1.00 35.34 C ATOM 65 CG GLU A 14 -24.845 31.122 32.044 1.00 39.15 C ATOM 66 CD GLU A 14 -24.864 32.461 31.288 1.00 46.84 C ATOM 67 OE1 GLU A 14 -25.937 33.101 31.236 1.00 43.71 O ATOM 68 OE2 GLU A 14 -23.808 32.851 30.790 1.00 48.29 O ATOM 69 H GLU A 14 -27.290 30.625 35.427 1.00 0.00 H ATOM 70 N LEU A 15 -24.046 28.555 34.441 1.00 35.14 N ATOM 71 CA LEU A 15 -22.835 28.243 35.168 1.00 37.20 C ATOM 72 C LEU A 15 -21.645 28.536 34.281 1.00 36.26 C ATOM 73 O LEU A 15 -21.687 28.274 33.077 1.00 36.61 O ATOM 74 CB LEU A 15 -22.818 26.763 35.610 1.00 29.70 C ATOM 75 CG LEU A 15 -23.750 26.282 36.737 1.00 41.01 C ATOM 76 CD1 LEU A 15 -25.190 26.558 36.486 1.00 45.43 C ATOM 77 CD2 LEU A 15 -23.582 24.769 36.966 1.00 31.89 C ATOM 78 H LEU A 15 -24.378 27.892 33.711 1.00 0.00 H ATOM 79 N THR A 16 -20.570 29.027 34.883 1.00 38.27 N ATOM 80 CA THR A 16 -19.276 29.079 34.232 1.00 41.49 C ATOM 81 C THR A 16 -18.378 28.042 34.892 1.00 42.09 C ATOM 82 O THR A 16 -18.105 28.128 36.086 1.00 45.22 O ATOM 83 CB THR A 16 -18.682 30.499 34.300 1.00 50.97 C ATOM 84 OG1 THR A 16 -19.649 31.436 33.795 1.00 48.90 O ATOM 85 CG2 THR A 16 -17.406 30.623 33.433 1.00 53.66 C ATOM 86 HG1 THR A 16 -20.470 31.390 34.346 1.00 0.00 H ATOM 87 H THR A 16 -20.658 29.387 35.855 1.00 0.00 H ATOM 88 N VAL A 17 -17.936 27.040 34.124 1.00 44.41 N ATOM 89 CA VAL A 17 -17.214 25.905 34.689 1.00 44.22 C ATOM 90 C VAL A 17 -15.910 25.675 33.935 1.00 49.89 C ATOM 91 O VAL A 17 -15.704 26.181 32.831 1.00 47.10 O ATOM 92 CB VAL A 17 -18.061 24.631 34.657 1.00 41.63 C ATOM 93 CG1 VAL A 17 -19.369 24.836 35.408 1.00 36.38 C ATOM 94 CG2 VAL A 17 -18.319 24.231 33.196 1.00 40.94 C ATOM 95 H VAL A 17 -18.111 27.071 33.099 1.00 0.00 H ATOM 96 N ARG A 18 -15.015 24.914 34.568 1.00 52.69 N ATOM 97 CA ARG A 18 -13.820 24.395 33.904 1.00 54.93 C ATOM 98 C ARG A 18 -14.189 23.307 32.890 1.00 50.60 C ATOM 99 O ARG A 18 -15.075 22.476 33.127 1.00 47.60 O ATOM 100 CB ARG A 18 -12.860 23.813 34.934 1.00 60.38 C ATOM 101 CG ARG A 18 -12.126 24.843 35.739 1.00 71.11 C ATOM 102 CD ARG A 18 -12.001 24.418 37.188 1.00 76.26 C ATOM 103 NE ARG A 18 -11.534 25.524 38.029 1.00 84.93 N ATOM 104 CZ ARG A 18 -10.867 25.375 39.174 1.00 90.09 C ATOM 105 NH1 ARG A 18 -10.576 24.159 39.640 1.00 90.74 N ATOM 106 NH2 ARG A 18 -10.490 26.447 39.849 1.00 92.65 N ATOM 107 HE ARG A 18 -11.737 26.493 37.710 1.00 0.00 H ATOM 108 HH12 ARG A 18 -10.055 24.056 40.534 1.00 0.00 H ATOM 109 HH11 ARG A 18 -10.870 23.315 39.109 1.00 0.00 H ATOM 110 HH22 ARG A 18 -9.969 26.342 40.743 1.00 0.00 H ATOM 111 HH21 ARG A 18 -10.714 27.395 39.486 1.00 0.00 H ATOM 112 H ARG A 18 -15.173 24.682 35.569 1.00 0.00 H ATOM 113 N ASN A 19 -13.515 23.312 31.743 1.00 54.49 N ATOM 114 CA ASN A 19 -13.876 22.361 30.688 1.00 53.59 C ATOM 115 C ASN A 19 -12.976 21.131 30.802 1.00 56.70 C ATOM 116 O ASN A 19 -12.049 20.921 30.025 1.00 58.24 O ATOM 117 CB ASN A 19 -13.769 23.010 29.322 1.00 54.37 C ATOM 118 CG ASN A 19 -14.387 22.162 28.234 1.00 54.54 C ATOM 119 OD1 ASN A 19 -15.089 21.164 28.503 1.00 51.79 O ATOM 120 ND2 ASN A 19 -14.131 22.549 26.992 1.00 49.42 N ATOM 121 HD22 ASN A 19 -13.540 23.388 26.820 1.00 0.00 H ATOM 122 HD21 ASN A 19 -14.521 22.014 26.190 1.00 0.00 H ATOM 123 H ASN A 19 -12.737 23.986 31.596 1.00 0.00 H ATOM 124 N HIS A 20 -13.249 20.343 31.841 1.00 55.32 N ATOM 125 CA HIS A 20 -12.485 19.188 32.290 1.00 53.97 C ATOM 126 C HIS A 20 -13.442 18.017 32.397 1.00 44.28 C ATOM 127 O HIS A 20 -14.641 18.221 32.568 1.00 42.60 O ATOM 128 CB HIS A 20 -11.835 19.407 33.668 1.00 62.33 C ATOM 129 CG HIS A 20 -10.827 20.506 33.705 1.00 73.59 C ATOM 130 ND1 HIS A 20 -10.324 21.097 32.567 1.00 78.08 N ATOM 131 CD2 HIS A 20 -10.208 21.110 34.748 1.00 79.32 C ATOM 132 CE1 HIS A 20 -9.445 22.025 32.906 1.00 81.77 C ATOM 133 NE2 HIS A 20 -9.354 22.052 34.224 1.00 82.21 N ATOM 134 H HIS A 20 -14.100 20.578 32.391 1.00 0.00 H ATOM 135 N PRO A 21 -12.954 16.790 32.258 1.00 47.75 N ATOM 136 CA PRO A 21 -13.837 15.636 32.433 1.00 49.40 C ATOM 137 C PRO A 21 -14.401 15.607 33.847 1.00 54.53 C ATOM 138 O PRO A 21 -13.719 15.957 34.815 1.00 56.51 O ATOM 139 CB PRO A 21 -12.922 14.438 32.179 1.00 49.41 C ATOM 140 CG PRO A 21 -11.755 14.949 31.461 1.00 53.17 C ATOM 141 CD PRO A 21 -11.657 16.434 31.676 1.00 50.28 C ATOM 142 N GLY A 22 -15.660 15.194 33.960 1.00 53.09 N ATOM 143 CA GLY A 22 -16.295 15.015 35.250 1.00 54.17 C ATOM 144 C GLY A 22 -17.119 16.193 35.724 1.00 50.62 C ATOM 145 O GLY A 22 -17.952 16.029 36.627 1.00 50.32 O ATOM 146 H GLY A 22 -16.205 14.994 33.097 1.00 0.00 H ATOM 147 N VAL A 23 -16.937 17.372 35.141 1.00 46.28 N ATOM 148 CA VAL A 23 -17.566 18.536 35.728 1.00 40.75 C ATOM 149 C VAL A 23 -19.080 18.410 35.652 1.00 41.33 C ATOM 150 O VAL A 23 -19.789 18.665 36.638 1.00 39.89 O ATOM 151 CB VAL A 23 -17.060 19.831 35.066 1.00 41.40 C ATOM 152 CG1 VAL A 23 -17.907 20.980 35.510 1.00 36.49 C ATOM 153 CG2 VAL A 23 -15.595 20.053 35.408 1.00 36.03 C ATOM 154 H VAL A 23 -16.356 17.457 34.283 1.00 0.00 H ATOM 155 N MET A 24 -19.609 18.000 34.498 1.00 33.30 N ATOM 156 CA MET A 24 -21.059 17.958 34.385 1.00 31.23 C ATOM 157 C MET A 24 -21.623 16.892 35.313 1.00 33.21 C ATOM 158 O MET A 24 -22.754 17.025 35.774 1.00 37.21 O ATOM 159 CB MET A 24 -21.503 17.687 32.933 1.00 36.03 C ATOM 160 CG MET A 24 -22.999 17.426 32.774 1.00 36.28 C ATOM 161 SD MET A 24 -24.016 19.019 32.802 1.00 42.19 S ATOM 162 CE MET A 24 -23.032 20.044 31.780 1.00 54.41 C ATOM 163 H MET A 24 -19.002 17.718 33.702 1.00 0.00 H ATOM 164 N THR A 25 -20.856 15.820 35.577 1.00 35.58 N ATOM 165 CA THR A 25 -21.345 14.765 36.452 1.00 40.75 C ATOM 166 C THR A 25 -21.469 15.278 37.887 1.00 43.34 C ATOM 167 O THR A 25 -22.482 15.025 38.555 1.00 40.68 O ATOM 168 CB THR A 25 -20.416 13.547 36.384 1.00 41.13 C ATOM 169 OG1 THR A 25 -20.399 13.008 35.026 1.00 47.17 O ATOM 170 CG2 THR A 25 -20.889 12.455 37.369 1.00 41.63 C ATOM 171 HG1 THR A 25 -20.073 13.703 34.401 1.00 0.00 H ATOM 172 H THR A 25 -19.909 15.744 35.154 1.00 0.00 H ATOM 173 N HIS A 26 -20.477 16.055 38.345 1.00 43.77 N ATOM 174 CA HIS A 26 -20.573 16.713 39.654 1.00 50.12 C ATOM 175 C HIS A 26 -21.772 17.665 39.740 1.00 46.61 C ATOM 176 O HIS A 26 -22.447 17.715 40.769 1.00 41.59 O ATOM 177 CB HIS A 26 -19.274 17.449 39.951 1.00 56.28 C ATOM 178 CG HIS A 26 -18.090 16.541 40.062 1.00 68.67 C ATOM 179 ND1 HIS A 26 -16.806 16.943 39.752 1.00 74.47 N ATOM 180 CD2 HIS A 26 -17.995 15.248 40.451 1.00 73.04 C ATOM 181 CE1 HIS A 26 -15.972 15.936 39.952 1.00 77.89 C ATOM 182 NE2 HIS A 26 -16.668 14.896 40.377 1.00 76.51 N ATOM 183 H HIS A 26 -19.626 16.194 37.764 1.00 0.00 H ATOM 184 N VAL A 27 -22.063 18.430 38.673 1.00 37.51 N ATOM 185 CA VAL A 27 -23.148 19.414 38.733 1.00 28.61 C ATOM 186 C VAL A 27 -24.509 18.739 38.754 1.00 34.22 C ATOM 187 O VAL A 27 -25.364 19.060 39.589 1.00 32.53 O ATOM 188 CB VAL A 27 -23.079 20.388 37.548 1.00 39.14 C ATOM 189 CG1 VAL A 27 -24.394 21.155 37.470 1.00 40.18 C ATOM 190 CG2 VAL A 27 -21.872 21.347 37.664 1.00 40.70 C ATOM 191 H VAL A 27 -21.513 18.323 37.797 1.00 0.00 H ATOM 192 N CYS A 28 -24.767 17.857 37.773 1.00 33.05 N ATOM 193 CA CYS A 28 -26.009 17.081 37.744 1.00 34.71 C ATOM 194 C CYS A 28 -26.155 16.188 38.967 1.00 32.95 C ATOM 195 O CYS A 28 -27.280 15.952 39.416 1.00 37.37 O ATOM 196 CB CYS A 28 -26.083 16.208 36.464 1.00 38.41 C ATOM 197 SG CYS A 28 -26.403 17.333 35.029 1.00 39.70 S ATOM 198 H CYS A 28 -24.067 17.722 37.016 1.00 0.00 H ATOM 199 N GLY A 29 -25.039 15.620 39.449 1.00 34.38 N ATOM 200 CA GLY A 29 -25.070 14.793 40.644 1.00 32.96 C ATOM 201 C GLY A 29 -25.704 15.484 41.835 1.00 36.48 C ATOM 202 O GLY A 29 -26.409 14.854 42.606 1.00 38.02 O ATOM 203 H GLY A 29 -24.135 15.774 38.958 1.00 0.00 H ATOM 204 N LEU A 30 -25.519 16.813 41.956 1.00 41.93 N ATOM 205 CA LEU A 30 -26.114 17.568 43.047 1.00 37.94 C ATOM 206 C LEU A 30 -27.636 17.638 42.905 1.00 36.75 C ATOM 207 O LEU A 30 -28.360 17.426 43.880 1.00 32.34 O ATOM 208 CB LEU A 30 -25.465 18.925 43.075 1.00 35.81 C ATOM 209 CG LEU A 30 -25.903 20.049 43.954 1.00 46.30 C ATOM 210 CD1 LEU A 30 -24.729 21.037 43.933 1.00 50.75 C ATOM 211 CD2 LEU A 30 -27.175 20.719 43.391 1.00 49.21 C ATOM 212 H LEU A 30 -24.937 17.311 41.252 1.00 0.00 H ATOM 213 N PHE A 31 -28.143 17.779 41.689 1.00 28.66 N ATOM 214 CA PHE A 31 -29.583 17.662 41.424 1.00 31.97 C ATOM 215 C PHE A 31 -30.091 16.226 41.647 1.00 33.34 C ATOM 216 O PHE A 31 -31.207 16.000 42.176 1.00 29.51 O ATOM 217 CB PHE A 31 -29.837 18.120 39.945 1.00 28.56 C ATOM 218 CG PHE A 31 -29.742 19.621 39.787 1.00 27.83 C ATOM 219 CD1 PHE A 31 -28.537 20.237 39.493 1.00 29.56 C ATOM 220 CD2 PHE A 31 -30.859 20.408 39.999 1.00 27.64 C ATOM 221 CE1 PHE A 31 -28.462 21.663 39.416 1.00 30.26 C ATOM 222 CE2 PHE A 31 -30.813 21.833 39.924 1.00 27.41 C ATOM 223 CZ PHE A 31 -29.601 22.451 39.644 1.00 28.82 C ATOM 224 H PHE A 31 -27.500 17.979 40.896 1.00 0.00 H ATOM 225 N ALA A 32 -29.291 15.252 41.249 1.00 27.07 N ATOM 226 CA ALA A 32 -29.694 13.858 41.411 1.00 28.79 C ATOM 227 C ALA A 32 -29.916 13.550 42.895 1.00 34.26 C ATOM 228 O ALA A 32 -30.917 12.934 43.292 1.00 39.12 O ATOM 229 CB ALA A 32 -28.590 12.954 40.869 1.00 35.40 C ATOM 230 H ALA A 32 -28.372 15.479 40.819 1.00 0.00 H ATOM 231 N ARG A 33 -28.945 13.919 43.712 1.00 36.25 N ATOM 232 CA ARG A 33 -29.046 13.629 45.158 1.00 42.49 C ATOM 233 C ARG A 33 -30.237 14.304 45.838 1.00 38.21 C ATOM 234 O ARG A 33 -30.646 13.869 46.912 1.00 42.57 O ATOM 235 CB ARG A 33 -27.748 14.011 45.837 1.00 46.35 C ATOM 236 CG ARG A 33 -26.661 12.975 45.581 1.00 51.48 C ATOM 237 CD ARG A 33 -25.497 13.270 46.457 1.00 59.95 C ATOM 238 NE ARG A 33 -25.180 14.693 46.325 1.00 62.37 N ATOM 239 CZ ARG A 33 -24.283 15.159 45.461 1.00 64.29 C ATOM 240 NH1 ARG A 33 -23.630 14.305 44.674 1.00 62.12 N ATOM 241 NH2 ARG A 33 -24.038 16.468 45.381 1.00 67.91 N ATOM 242 HE ARG A 33 -25.680 15.371 46.935 1.00 0.00 H ATOM 243 HH12 ARG A 33 -22.926 14.658 43.994 1.00 0.00 H ATOM 244 HH11 ARG A 33 -23.824 13.285 44.739 1.00 0.00 H ATOM 245 HH22 ARG A 33 -23.335 16.825 44.703 1.00 0.00 H ATOM 246 HH21 ARG A 33 -24.550 17.131 45.997 1.00 0.00 H ATOM 247 H ARG A 33 -28.110 14.413 43.338 1.00 0.00 H ATOM 248 N ARG A 34 -30.801 15.359 45.254 1.00 43.25 N ATOM 249 CA ARG A 34 -32.019 15.987 45.738 1.00 43.71 C ATOM 250 C ARG A 34 -33.283 15.539 44.985 1.00 46.03 C ATOM 251 O ARG A 34 -34.339 16.158 45.155 1.00 43.20 O ATOM 252 CB ARG A 34 -31.868 17.505 45.686 1.00 45.13 C ATOM 253 CG ARG A 34 -30.585 18.052 46.343 1.00 49.61 C ATOM 254 CD ARG A 34 -30.471 17.642 47.853 1.00 58.08 C ATOM 255 NE ARG A 34 -31.634 18.046 48.657 1.00 67.99 N ATOM 256 CZ ARG A 34 -31.774 19.216 49.292 1.00 67.94 C ATOM 257 NH1 ARG A 34 -30.824 20.141 49.225 1.00 65.08 N ATOM 258 NH2 ARG A 34 -32.885 19.456 49.976 1.00 68.06 N ATOM 259 HE ARG A 34 -32.415 17.364 48.739 1.00 0.00 H ATOM 260 HH12 ARG A 34 -30.944 21.046 49.723 1.00 0.00 H ATOM 261 HH11 ARG A 34 -29.960 19.960 48.675 1.00 0.00 H ATOM 262 HH22 ARG A 34 -33.004 20.362 50.473 1.00 0.00 H ATOM 263 HH21 ARG A 34 -33.637 18.738 50.015 1.00 0.00 H ATOM 264 H ARG A 34 -30.346 15.755 44.407 1.00 0.00 H ATOM 265 N ALA A 35 -33.213 14.445 44.200 1.00 47.90 N ATOM 266 CA ALA A 35 -34.353 13.941 43.413 1.00 40.46 C ATOM 267 C ALA A 35 -34.971 15.066 42.570 1.00 34.16 C ATOM 268 O ALA A 35 -36.197 15.160 42.406 1.00 39.24 O ATOM 269 CB ALA A 35 -35.407 13.276 44.292 1.00 40.46 C ATOM 270 H ALA A 35 -32.310 13.931 44.147 1.00 0.00 H ATOM 271 N PHE A 36 -34.108 15.899 42.033 1.00 31.27 N ATOM 272 CA PHE A 36 -34.478 17.184 41.432 1.00 36.29 C ATOM 273 C PHE A 36 -34.252 17.096 39.919 1.00 30.49 C ATOM 274 O PHE A 36 -33.103 17.099 39.450 1.00 29.20 O ATOM 275 CB PHE A 36 -33.625 18.297 42.026 1.00 34.04 C ATOM 276 CG PHE A 36 -34.186 19.716 41.829 1.00 32.07 C ATOM 277 CD1 PHE A 36 -34.666 20.128 40.617 1.00 33.46 C ATOM 278 CD2 PHE A 36 -34.271 20.597 42.899 1.00 35.18 C ATOM 279 CE1 PHE A 36 -35.179 21.453 40.432 1.00 33.71 C ATOM 280 CE2 PHE A 36 -34.804 21.910 42.728 1.00 41.87 C ATOM 281 CZ PHE A 36 -35.243 22.318 41.442 1.00 34.94 C ATOM 282 H PHE A 36 -33.103 15.631 42.034 1.00 0.00 H ATOM 283 N ASN A 37 -35.342 17.036 39.160 1.00 31.37 N ATOM 284 CA ASN A 37 -35.232 16.875 37.705 1.00 29.88 C ATOM 285 C ASN A 37 -34.662 18.121 37.028 1.00 35.74 C ATOM 286 O ASN A 37 -34.966 19.267 37.411 1.00 34.18 O ATOM 287 CB ASN A 37 -36.607 16.512 37.109 1.00 27.97 C ATOM 288 CG ASN A 37 -36.451 15.761 35.745 1.00 35.92 C ATOM 289 OD1 ASN A 37 -35.786 14.716 35.687 1.00 34.88 O ATOM 290 ND2 ASN A 37 -37.017 16.328 34.657 1.00 29.16 N ATOM 291 HD22 ASN A 37 -37.567 17.206 34.754 1.00 0.00 H ATOM 292 HD21 ASN A 37 -36.903 15.887 33.722 1.00 0.00 H ATOM 293 H ASN A 37 -36.281 17.104 39.601 1.00 0.00 H ATOM 294 N VAL A 38 -33.755 17.906 36.074 1.00 31.78 N ATOM 295 CA VAL A 38 -33.281 18.975 35.201 1.00 27.55 C ATOM 296 C VAL A 38 -34.046 18.895 33.883 1.00 33.96 C ATOM 297 O VAL A 38 -34.164 17.805 33.290 1.00 27.30 O ATOM 298 CB VAL A 38 -31.761 18.885 34.969 1.00 27.66 C ATOM 299 CG1 VAL A 38 -31.299 19.978 33.991 1.00 31.05 C ATOM 300 CG2 VAL A 38 -31.032 19.061 36.257 1.00 30.41 C ATOM 301 H VAL A 38 -33.374 16.947 35.948 1.00 0.00 H ATOM 302 N GLU A 39 -34.596 20.035 33.418 1.00 26.61 N ATOM 303 CA GLU A 39 -35.472 19.895 32.265 1.00 34.73 C ATOM 304 C GLU A 39 -34.738 20.112 30.952 1.00 31.92 C ATOM 305 O GLU A 39 -34.902 19.306 30.038 1.00 35.64 O ATOM 306 CB GLU A 39 -36.675 20.811 32.328 1.00 42.73 C ATOM 307 CG GLU A 39 -37.585 20.611 33.519 1.00 51.36 C ATOM 308 CD GLU A 39 -38.166 19.201 33.586 1.00 62.53 C ATOM 309 OE1 GLU A 39 -38.411 18.761 34.751 1.00 60.49 O ATOM 310 OE2 GLU A 39 -38.350 18.559 32.488 1.00 63.18 O ATOM 311 H GLU A 39 -34.405 20.958 33.857 1.00 0.00 H ATOM 312 N GLY A 40 -33.988 21.202 30.814 1.00 33.30 N ATOM 313 CA GLY A 40 -33.160 21.423 29.640 1.00 24.71 C ATOM 314 C GLY A 40 -31.740 21.688 30.088 1.00 26.48 C ATOM 315 O GLY A 40 -31.485 22.168 31.205 1.00 23.50 O ATOM 316 H GLY A 40 -33.994 21.917 31.569 1.00 0.00 H ATOM 317 N ILE A 41 -30.813 21.329 29.236 1.00 16.29 N ATOM 318 CA ILE A 41 -29.388 21.586 29.458 1.00 21.18 C ATOM 319 C ILE A 41 -28.795 22.094 28.137 1.00 28.48 C ATOM 320 O ILE A 41 -29.100 21.546 27.073 1.00 29.04 O ATOM 321 CB ILE A 41 -28.622 20.312 29.870 1.00 22.56 C ATOM 322 CG1 ILE A 41 -29.179 19.614 31.122 1.00 30.72 C ATOM 323 CG2 ILE A 41 -27.078 20.613 29.997 1.00 20.80 C ATOM 324 CD1 ILE A 41 -28.491 18.235 31.346 1.00 29.58 C ATOM 325 H ILE A 41 -31.101 20.840 28.364 1.00 0.00 H ATOM 326 N LEU A 42 -27.953 23.155 28.190 1.00 27.12 N ATOM 327 CA LEU A 42 -27.039 23.461 27.095 1.00 26.07 C ATOM 328 C LEU A 42 -25.677 23.631 27.741 1.00 31.61 C ATOM 329 O LEU A 42 -25.578 24.227 28.824 1.00 31.27 O ATOM 330 CB LEU A 42 -27.438 24.748 26.334 1.00 26.30 C ATOM 331 CG LEU A 42 -26.476 25.253 25.263 1.00 26.99 C ATOM 332 CD1 LEU A 42 -26.322 24.258 24.049 1.00 24.75 C ATOM 333 CD2 LEU A 42 -26.927 26.708 24.782 1.00 32.00 C ATOM 334 H LEU A 42 -27.959 23.766 29.032 1.00 0.00 H ATOM 335 N CYS A 43 -24.636 23.155 27.060 1.00 23.66 N ATOM 336 CA CYS A 43 -23.255 23.322 27.486 1.00 27.59 C ATOM 337 C CYS A 43 -22.429 23.674 26.264 1.00 35.96 C ATOM 338 O CYS A 43 -22.373 22.890 25.307 1.00 36.03 O ATOM 339 CB CYS A 43 -22.690 22.055 28.153 1.00 28.74 C ATOM 340 SG CYS A 43 -20.889 22.215 28.509 1.00 41.19 S ATOM 341 H CYS A 43 -24.820 22.637 26.177 1.00 0.00 H ATOM 342 N LEU A 44 -21.793 24.856 26.293 1.00 36.30 N ATOM 343 CA LEU A 44 -20.920 25.271 25.218 1.00 38.18 C ATOM 344 C LEU A 44 -19.557 25.717 25.729 1.00 45.44 C ATOM 345 O LEU A 44 -19.464 26.364 26.777 1.00 49.97 O ATOM 346 CB LEU A 44 -21.556 26.384 24.407 1.00 37.51 C ATOM 347 CG LEU A 44 -22.857 26.075 23.660 1.00 37.85 C ATOM 348 CD1 LEU A 44 -23.527 27.389 23.301 1.00 40.41 C ATOM 349 CD2 LEU A 44 -22.428 25.224 22.352 1.00 32.32 C ATOM 350 H LEU A 44 -21.932 25.488 27.108 1.00 0.00 H ATOM 351 N PRO A 45 -18.481 25.367 25.028 1.00 41.57 N ATOM 352 CA PRO A 45 -17.154 25.838 25.440 1.00 45.33 C ATOM 353 C PRO A 45 -17.067 27.322 25.164 1.00 51.19 C ATOM 354 O PRO A 45 -17.747 27.840 24.280 1.00 56.30 O ATOM 355 CB PRO A 45 -16.172 25.071 24.542 1.00 44.87 C ATOM 356 CG PRO A 45 -17.000 24.138 23.751 1.00 46.81 C ATOM 357 CD PRO A 45 -18.438 24.549 23.813 1.00 45.47 C ATOM 358 N ILE A 46 -16.236 28.019 25.930 1.00 49.90 N ATOM 359 CA ILE A 46 -15.989 29.436 25.668 1.00 53.59 C ATOM 360 C ILE A 46 -14.684 29.532 24.902 1.00 62.26 C ATOM 361 O ILE A 46 -13.673 28.947 25.311 1.00 63.32 O ATOM 362 CB ILE A 46 -15.985 30.268 26.972 1.00 50.07 C ATOM 363 CG1 ILE A 46 -17.278 29.978 27.785 1.00 42.70 C ATOM 364 CG2 ILE A 46 -15.942 31.734 26.651 1.00 52.97 C ATOM 365 CD1 ILE A 46 -17.197 30.371 29.312 1.00 47.21 C ATOM 366 H ILE A 46 -15.755 27.552 26.725 1.00 0.00 H ATOM 367 N GLN A 47 -14.722 30.215 23.757 1.00 71.29 N ATOM 368 CA GLN A 47 -13.593 30.187 22.832 1.00 82.05 C ATOM 369 C GLN A 47 -12.357 30.823 23.458 1.00 89.98 C ATOM 370 O GLN A 47 -12.451 31.798 24.211 1.00 88.01 O ATOM 371 CB GLN A 47 -13.944 30.900 21.522 1.00 85.27 C ATOM 372 H GLN A 47 -15.566 30.774 23.520 1.00 0.00 H ATOM 373 N ASP A 48 -11.191 30.255 23.142 1.00 95.33 N ATOM 374 CA ASP A 48 -9.904 30.752 23.639 1.00105.39 C ATOM 375 C ASP A 48 -9.874 30.791 25.170 1.00101.05 C ATOM 376 O ASP A 48 -9.375 31.744 25.774 1.00108.98 O ATOM 377 CB ASP A 48 -9.563 32.127 23.038 1.00110.67 C ATOM 378 H ASP A 48 -11.196 29.424 22.516 1.00 0.00 H ATOM 379 N SER A 49 -10.400 29.738 25.799 1.00 90.90 N ATOM 380 CA SER A 49 -10.414 29.611 27.251 1.00 80.61 C ATOM 381 C SER A 49 -10.536 28.138 27.599 1.00 75.10 C ATOM 382 O SER A 49 -10.940 27.322 26.763 1.00 75.03 O ATOM 383 CB SER A 49 -11.572 30.381 27.877 1.00 73.02 C ATOM 384 OG SER A 49 -12.790 29.701 27.623 1.00 71.21 O ATOM 385 HG SER A 49 -12.931 29.633 26.645 1.00 0.00 H ATOM 386 H SER A 49 -10.818 28.975 25.229 1.00 0.00 H ATOM 387 N ASP A 50 -10.201 27.811 28.855 1.00 73.49 N ATOM 388 CA ASP A 50 -10.329 26.460 29.391 1.00 74.27 C ATOM 389 C ASP A 50 -11.655 26.244 30.102 1.00 70.30 C ATOM 390 O ASP A 50 -11.766 25.335 30.937 1.00 67.37 O ATOM 391 CB ASP A 50 -9.168 26.138 30.333 1.00 84.16 C ATOM 392 CG ASP A 50 -7.915 25.746 29.584 1.00 99.33 C ATOM 393 OD1 ASP A 50 -6.792 25.987 30.087 1.00106.64 O ATOM 394 OD2 ASP A 50 -8.061 25.197 28.467 1.00105.49 O ATOM 395 H ASP A 50 -9.832 28.557 29.478 1.00 0.00 H ATOM 396 N LYS A 51 -12.672 27.043 29.762 1.00 64.59 N ATOM 397 CA LYS A 51 -13.929 27.083 30.483 1.00 54.69 C ATOM 398 C LYS A 51 -15.099 26.922 29.530 1.00 50.93 C ATOM 399 O LYS A 51 -14.977 27.094 28.309 1.00 53.76 O ATOM 400 CB LYS A 51 -14.074 28.404 31.274 1.00 61.19 C ATOM 401 CG LYS A 51 -13.053 28.539 32.419 1.00 67.07 C ATOM 402 CD LYS A 51 -13.237 29.802 33.236 1.00 70.67 C ATOM 403 CE LYS A 51 -12.039 30.071 34.157 1.00 77.21 C ATOM 404 NZ LYS A 51 -10.811 30.564 33.444 1.00 83.59 N ATOM 405 HZ1 LYS A 51 -10.507 29.854 32.748 1.00 0.00 H ATOM 406 HZ2 LYS A 51 -11.029 31.457 32.958 1.00 0.00 H ATOM 407 HZ3 LYS A 51 -10.050 30.721 34.135 1.00 0.00 H ATOM 408 H LYS A 51 -12.555 27.667 28.939 1.00 0.00 H ATOM 409 N SER A 52 -16.244 26.576 30.116 1.00 43.39 N ATOM 410 CA SER A 52 -17.487 26.410 29.391 1.00 38.17 C ATOM 411 C SER A 52 -18.593 27.116 30.148 1.00 42.69 C ATOM 412 O SER A 52 -18.505 27.340 31.368 1.00 43.48 O ATOM 413 CB SER A 52 -17.878 24.907 29.259 1.00 38.92 C ATOM 414 OG SER A 52 -16.851 24.250 28.573 1.00 40.52 O ATOM 415 HG SER A 52 -17.080 23.291 28.478 1.00 0.00 H ATOM 416 H SER A 52 -16.246 26.417 31.144 1.00 0.00 H ATOM 417 N HIS A 53 -19.676 27.369 29.430 1.00 38.86 N ATOM 418 CA HIS A 53 -20.966 27.663 30.037 1.00 35.30 C ATOM 419 C HIS A 53 -21.831 26.416 30.049 1.00 37.13 C ATOM 420 O HIS A 53 -21.885 25.691 29.060 1.00 36.77 O ATOM 421 CB HIS A 53 -21.717 28.737 29.265 1.00 34.47 C ATOM 422 CG HIS A 53 -21.492 30.117 29.778 1.00 34.97 C ATOM 423 ND1 HIS A 53 -21.129 30.369 31.084 1.00 34.62 N ATOM 424 CD2 HIS A 53 -21.547 31.319 29.155 1.00 37.20 C ATOM 425 CE1 HIS A 53 -20.976 31.674 31.243 1.00 39.45 C ATOM 426 NE2 HIS A 53 -21.226 32.270 30.089 1.00 38.24 N ATOM 427 H HIS A 53 -19.602 27.357 28.393 1.00 0.00 H ATOM 428 N ILE A 54 -22.526 26.204 31.157 1.00 33.03 N ATOM 429 CA ILE A 54 -23.639 25.304 31.233 1.00 31.08 C ATOM 430 C ILE A 54 -24.868 26.121 31.601 1.00 32.11 C ATOM 431 O ILE A 54 -24.888 26.778 32.658 1.00 33.89 O ATOM 432 CB ILE A 54 -23.386 24.221 32.309 1.00 33.66 C ATOM 433 CG1 ILE A 54 -22.064 23.523 32.012 1.00 33.55 C ATOM 434 CG2 ILE A 54 -24.558 23.355 32.414 1.00 28.20 C ATOM 435 CD1 ILE A 54 -21.527 22.550 33.142 1.00 36.28 C ATOM 436 H ILE A 54 -22.249 26.718 32.018 1.00 0.00 H ATOM 437 N TRP A 55 -25.924 25.980 30.814 1.00 27.94 N ATOM 438 CA TRP A 55 -27.270 26.426 31.155 1.00 23.61 C ATOM 439 C TRP A 55 -28.129 25.249 31.581 1.00 28.43 C ATOM 440 O TRP A 55 -28.213 24.246 30.869 1.00 22.25 O ATOM 441 CB TRP A 55 -27.900 27.113 29.930 1.00 23.60 C ATOM 442 CG TRP A 55 -27.231 28.347 29.519 1.00 23.14 C ATOM 443 CD1 TRP A 55 -27.633 29.638 29.844 1.00 25.12 C ATOM 444 CD2 TRP A 55 -26.090 28.502 28.632 1.00 30.07 C ATOM 445 NE1 TRP A 55 -26.825 30.532 29.218 1.00 28.65 N ATOM 446 CE2 TRP A 55 -25.878 29.884 28.472 1.00 32.86 C ATOM 447 CE3 TRP A 55 -25.270 27.594 27.905 1.00 35.34 C ATOM 448 CZ2 TRP A 55 -24.833 30.420 27.666 1.00 39.12 C ATOM 449 CZ3 TRP A 55 -24.223 28.107 27.115 1.00 35.49 C ATOM 450 CH2 TRP A 55 -24.030 29.543 26.981 1.00 34.91 C ATOM 451 HE1 TRP A 55 -26.913 31.565 29.295 1.00 0.00 H ATOM 452 H TRP A 55 -25.784 25.521 29.891 1.00 0.00 H ATOM 453 N LEU A 56 -28.746 25.340 32.765 1.00 27.65 N ATOM 454 CA LEU A 56 -29.744 24.379 33.197 1.00 19.23 C ATOM 455 C LEU A 56 -31.073 25.075 33.266 1.00 25.04 C ATOM 456 O LEU A 56 -31.209 26.113 33.959 1.00 32.99 O ATOM 457 CB LEU A 56 -29.414 23.802 34.626 1.00 21.62 C ATOM 458 CG LEU A 56 -27.923 23.453 34.663 1.00 26.05 C ATOM 459 CD1 LEU A 56 -27.398 23.238 36.025 1.00 29.48 C ATOM 460 CD2 LEU A 56 -27.835 22.068 33.920 1.00 26.16 C ATOM 461 H LEU A 56 -28.502 26.128 33.398 1.00 0.00 H ATOM 462 N LEU A 57 -32.054 24.461 32.667 1.00 19.68 N ATOM 463 CA LEU A 57 -33.464 24.777 32.896 1.00 22.36 C ATOM 464 C LEU A 57 -34.065 23.835 33.929 1.00 23.97 C ATOM 465 O LEU A 57 -34.138 22.589 33.698 1.00 26.43 O ATOM 466 CB LEU A 57 -34.249 24.677 31.582 1.00 23.84 C ATOM 467 CG LEU A 57 -35.758 24.925 31.592 1.00 30.43 C ATOM 468 CD1 LEU A 57 -35.980 26.398 31.943 1.00 37.07 C ATOM 469 CD2 LEU A 57 -36.325 24.652 30.183 1.00 30.35 C ATOM 470 H LEU A 57 -31.822 23.706 31.990 1.00 0.00 H ATOM 471 N VAL A 58 -34.526 24.400 35.046 1.00 28.61 N ATOM 472 CA VAL A 58 -35.135 23.615 36.141 1.00 36.17 C ATOM 473 C VAL A 58 -36.356 24.347 36.629 1.00 38.15 C ATOM 474 O VAL A 58 -36.464 25.569 36.494 1.00 40.23 O ATOM 475 CB VAL A 58 -34.188 23.359 37.308 1.00 31.30 C ATOM 476 CG1 VAL A 58 -32.946 22.701 36.797 1.00 24.55 C ATOM 477 CG2 VAL A 58 -33.780 24.664 37.957 1.00 35.72 C ATOM 478 H VAL A 58 -34.454 25.432 35.151 1.00 0.00 H ATOM 479 N ASN A 59 -37.276 23.601 37.217 1.00 33.32 N ATOM 480 CA ASN A 59 -38.423 24.228 37.875 1.00 42.58 C ATOM 481 C ASN A 59 -38.021 24.955 39.159 1.00 42.79 C ATOM 482 O ASN A 59 -37.146 24.502 39.899 1.00 38.62 O ATOM 483 CB ASN A 59 -39.506 23.196 38.183 1.00 51.61 C ATOM 484 CG ASN A 59 -39.851 22.359 36.963 1.00 63.36 C ATOM 485 OD1 ASN A 59 -40.260 22.897 35.922 1.00 63.24 O ATOM 486 ND2 ASN A 59 -39.676 21.036 37.073 1.00 73.27 N ATOM 487 HD22 ASN A 59 -39.331 20.630 37.966 1.00 0.00 H ATOM 488 HD21 ASN A 59 -39.885 20.415 36.266 1.00 0.00 H ATOM 489 H ASN A 59 -37.184 22.565 37.212 1.00 0.00 H ATOM 490 N ASP A 60 -38.662 26.100 39.403 1.00 41.87 N ATOM 491 CA ASP A 60 -38.426 26.868 40.627 1.00 51.33 C ATOM 492 C ASP A 60 -38.903 26.059 41.809 1.00 60.84 C ATOM 493 O ASP A 60 -40.042 25.580 41.831 1.00 67.46 O ATOM 494 CB ASP A 60 -39.164 28.212 40.624 1.00 53.16 C ATOM 495 CG ASP A 60 -38.487 29.284 41.525 1.00 62.45 C ATOM 496 OD1 ASP A 60 -37.577 28.951 42.314 1.00 64.77 O ATOM 497 OD2 ASP A 60 -38.867 30.484 41.442 1.00 70.52 O ATOM 498 H ASP A 60 -39.347 26.456 38.706 1.00 0.00 H ATOM 499 N ASP A 61 -38.048 25.957 42.808 1.00 62.90 N ATOM 500 CA ASP A 61 -38.266 25.069 43.927 1.00 63.43 C ATOM 501 C ASP A 61 -37.655 25.729 45.142 1.00 58.73 C ATOM 502 O ASP A 61 -36.577 26.312 45.038 1.00 56.36 O ATOM 503 CB ASP A 61 -37.605 23.718 43.635 1.00 66.38 C ATOM 504 CG ASP A 61 -37.738 22.738 44.761 1.00 71.31 C ATOM 505 OD1 ASP A 61 -36.966 22.853 45.730 1.00 72.58 O ATOM 506 OD2 ASP A 61 -38.578 21.829 44.644 1.00 73.54 O ATOM 507 H ASP A 61 -37.185 26.537 42.790 1.00 0.00 H ATOM 508 N GLN A 62 -38.330 25.610 46.292 1.00 61.49 N ATOM 509 CA GLN A 62 -37.815 26.171 47.533 1.00 60.50 C ATOM 510 C GLN A 62 -36.394 25.706 47.858 1.00 58.49 C ATOM 511 O GLN A 62 -35.717 26.344 48.666 1.00 56.31 O ATOM 512 CB GLN A 62 -38.754 25.826 48.669 1.00 65.37 C ATOM 513 CG GLN A 62 -39.081 24.338 48.761 1.00 72.01 C ATOM 514 CD GLN A 62 -40.401 24.094 49.468 1.00 84.81 C ATOM 515 OE1 GLN A 62 -41.455 24.527 48.988 1.00 90.99 O ATOM 516 NE2 GLN A 62 -40.357 23.398 50.614 1.00 85.49 N ATOM 517 HE22 GLN A 62 -39.446 23.054 50.979 1.00 0.00 H ATOM 518 HE21 GLN A 62 -41.234 23.203 51.138 1.00 0.00 H ATOM 519 H GLN A 62 -39.240 25.107 46.299 1.00 0.00 H ATOM 520 N ARG A 63 -35.894 24.628 47.254 1.00 57.23 N ATOM 521 CA ARG A 63 -34.547 24.225 47.630 1.00 54.99 C ATOM 522 C ARG A 63 -33.493 24.827 46.734 1.00 50.82 C ATOM 523 O ARG A 63 -32.300 24.629 46.986 1.00 53.68 O ATOM 524 CB ARG A 63 -34.402 22.701 47.662 1.00 56.59 C ATOM 525 CG ARG A 63 -35.533 21.999 48.334 1.00 59.45 C ATOM 526 CD ARG A 63 -35.525 20.528 47.980 1.00 61.35 C ATOM 527 NE ARG A 63 -36.102 20.329 46.651 1.00 64.74 N ATOM 528 CZ ARG A 63 -36.130 19.165 46.015 1.00 58.93 C ATOM 529 NH1 ARG A 63 -35.628 18.092 46.618 1.00 59.49 N ATOM 530 NH2 ARG A 63 -36.680 19.078 44.797 1.00 52.74 N ATOM 531 HE ARG A 63 -36.518 21.154 46.173 1.00 0.00 H ATOM 532 HH12 ARG A 63 -35.641 17.171 46.136 1.00 0.00 H ATOM 533 HH11 ARG A 63 -35.222 18.174 47.572 1.00 0.00 H ATOM 534 HH22 ARG A 63 -36.701 18.165 44.300 1.00 0.00 H ATOM 535 HH21 ARG A 63 -37.086 19.924 44.348 1.00 0.00 H ATOM 536 H ARG A 63 -36.442 24.099 46.546 1.00 0.00 H ATOM 537 N LEU A 64 -33.897 25.591 45.720 1.00 47.35 N ATOM 538 CA LEU A 64 -32.936 26.064 44.728 1.00 50.52 C ATOM 539 C LEU A 64 -31.865 26.962 45.347 1.00 51.24 C ATOM 540 O LEU A 64 -30.680 26.866 44.982 1.00 43.19 O ATOM 541 CB LEU A 64 -33.671 26.805 43.618 1.00 51.28 C ATOM 542 CG LEU A 64 -33.721 25.987 42.329 1.00 48.71 C ATOM 543 CD1 LEU A 64 -34.181 26.861 41.188 1.00 43.09 C ATOM 544 CD2 LEU A 64 -32.381 25.352 41.999 1.00 48.13 C ATOM 545 H LEU A 64 -34.900 25.851 45.635 1.00 0.00 H ATOM 546 N GLU A 65 -32.254 27.837 46.290 1.00 51.50 N ATOM 547 CA GLU A 65 -31.293 28.826 46.746 1.00 50.59 C ATOM 548 C GLU A 65 -30.127 28.145 47.422 1.00 53.23 C ATOM 549 O GLU A 65 -28.966 28.471 47.165 1.00 51.95 O ATOM 550 CB GLU A 65 -31.927 29.852 47.685 1.00 57.88 C ATOM 551 CG GLU A 65 -30.939 31.031 47.860 1.00 67.44 C ATOM 552 CD GLU A 65 -31.384 32.169 48.799 1.00 77.62 C ATOM 553 OE1 GLU A 65 -30.524 33.031 49.121 1.00 78.51 O ATOM 554 OE2 GLU A 65 -32.573 32.223 49.193 1.00 78.88 O ATOM 555 H GLU A 65 -33.217 27.807 46.682 1.00 0.00 H ATOM 556 N GLN A 66 -30.418 27.158 48.258 1.00 58.38 N ATOM 557 CA GLN A 66 -29.361 26.385 48.874 1.00 58.63 C ATOM 558 C GLN A 66 -28.606 25.564 47.832 1.00 53.55 C ATOM 559 O GLN A 66 -27.371 25.479 47.880 1.00 51.66 O ATOM 560 CB GLN A 66 -29.970 25.498 49.961 1.00 68.05 C ATOM 561 CG GLN A 66 -29.120 24.329 50.374 1.00 70.14 C ATOM 562 CD GLN A 66 -29.752 23.578 51.524 1.00 80.16 C ATOM 563 OE1 GLN A 66 -29.774 22.339 51.538 1.00 81.89 O ATOM 564 NE2 GLN A 66 -30.296 24.325 52.497 1.00 84.53 N ATOM 565 HE22 GLN A 66 -30.253 25.363 52.442 1.00 0.00 H ATOM 566 HE21 GLN A 66 -30.761 23.866 53.306 1.00 0.00 H ATOM 567 H GLN A 66 -31.412 26.938 48.472 1.00 0.00 H ATOM 568 N MET A 67 -29.326 24.951 46.879 1.00 47.51 N ATOM 569 CA MET A 67 -28.639 24.217 45.822 1.00 47.73 C ATOM 570 C MET A 67 -27.749 25.136 44.997 1.00 46.82 C ATOM 571 O MET A 67 -26.620 24.768 44.642 1.00 43.55 O ATOM 572 CB MET A 67 -29.649 23.507 44.938 1.00 44.57 C ATOM 573 CG MET A 67 -29.871 22.143 45.497 1.00 50.48 C ATOM 574 SD MET A 67 -31.147 21.303 44.618 1.00 61.17 S ATOM 575 CE MET A 67 -32.402 22.489 44.868 1.00 59.02 C ATOM 576 H MET A 67 -30.365 24.999 46.894 1.00 0.00 H ATOM 577 N ILE A 68 -28.227 26.343 44.708 1.00 48.24 N ATOM 578 CA ILE A 68 -27.398 27.287 43.969 1.00 44.36 C ATOM 579 C ILE A 68 -26.127 27.561 44.750 1.00 45.41 C ATOM 580 O ILE A 68 -25.016 27.483 44.211 1.00 46.86 O ATOM 581 CB ILE A 68 -28.186 28.574 43.668 1.00 45.72 C ATOM 582 CG1 ILE A 68 -29.171 28.364 42.515 1.00 37.16 C ATOM 583 CG2 ILE A 68 -27.275 29.736 43.321 1.00 38.69 C ATOM 584 CD1 ILE A 68 -30.037 29.644 42.325 1.00 39.48 C ATOM 585 H ILE A 68 -29.186 26.612 45.007 1.00 0.00 H ATOM 586 N SER A 69 -26.266 27.813 46.063 1.00 44.24 N ATOM 587 CA SER A 69 -25.076 27.978 46.875 1.00 48.16 C ATOM 588 C SER A 69 -24.177 26.735 46.828 1.00 49.12 C ATOM 589 O SER A 69 -22.945 26.847 46.795 1.00 50.16 O ATOM 590 CB SER A 69 -25.468 28.327 48.314 1.00 52.91 C ATOM 591 OG SER A 69 -24.281 28.530 49.013 1.00 65.05 O ATOM 592 HG SER A 69 -23.738 27.703 48.986 1.00 0.00 H ATOM 593 H SER A 69 -27.212 27.888 46.490 1.00 0.00 H ATOM 594 N GLN A 70 -24.764 25.536 46.822 1.00 49.01 N ATOM 595 CA GLN A 70 -23.935 24.334 46.747 1.00 48.86 C ATOM 596 C GLN A 70 -23.246 24.233 45.386 1.00 50.43 C ATOM 597 O GLN A 70 -22.092 23.792 45.302 1.00 53.53 O ATOM 598 CB GLN A 70 -24.788 23.093 47.023 1.00 50.93 C ATOM 599 CG GLN A 70 -25.296 23.021 48.472 1.00 60.05 C ATOM 600 CD GLN A 70 -26.036 21.740 48.814 1.00 63.42 C ATOM 601 OE1 GLN A 70 -26.393 20.927 47.943 1.00 62.46 O ATOM 602 NE2 GLN A 70 -26.240 21.532 50.109 1.00 69.78 N ATOM 603 HE22 GLN A 70 -25.926 22.238 50.805 1.00 0.00 H ATOM 604 HE21 GLN A 70 -26.714 20.663 50.428 1.00 0.00 H ATOM 605 H GLN A 70 -25.800 25.458 46.870 1.00 0.00 H ATOM 606 N ILE A 71 -23.908 24.694 44.322 1.00 44.83 N ATOM 607 CA ILE A 71 -23.276 24.620 43.004 1.00 44.79 C ATOM 608 C ILE A 71 -22.047 25.520 42.954 1.00 45.73 C ATOM 609 O ILE A 71 -20.992 25.115 42.446 1.00 46.13 O ATOM 610 CB ILE A 71 -24.290 24.959 41.903 1.00 41.77 C ATOM 611 CG1 ILE A 71 -25.370 23.861 41.846 1.00 40.47 C ATOM 612 CG2 ILE A 71 -23.537 25.224 40.499 1.00 33.63 C ATOM 613 CD1 ILE A 71 -26.666 24.276 41.120 1.00 40.69 C ATOM 614 H ILE A 71 -24.860 25.100 44.428 1.00 0.00 H ATOM 615 N ASP A 72 -22.134 26.726 43.542 1.00 47.66 N ATOM 616 CA ASP A 72 -20.994 27.635 43.482 1.00 50.60 C ATOM 617 C ASP A 72 -19.805 27.111 44.272 1.00 58.77 C ATOM 618 O ASP A 72 -18.656 27.422 43.926 1.00 64.22 O ATOM 619 CB ASP A 72 -21.357 29.031 44.004 1.00 59.58 C ATOM 620 CG ASP A 72 -20.233 30.053 43.760 1.00 66.32 C ATOM 621 OD1 ASP A 72 -19.865 30.300 42.570 1.00 68.38 O ATOM 622 OD2 ASP A 72 -19.721 30.597 44.750 1.00 71.52 O ATOM 623 H ASP A 72 -23.005 27.008 44.035 1.00 0.00 H ATOM 624 N LYS A 73 -20.054 26.347 45.343 1.00 59.85 N ATOM 625 CA LYS A 73 -18.983 25.732 46.124 1.00 64.70 C ATOM 626 C LYS A 73 -18.252 24.601 45.402 1.00 63.15 C ATOM 627 O LYS A 73 -17.230 24.130 45.915 1.00 67.73 O ATOM 628 CB LYS A 73 -19.525 25.177 47.450 1.00 69.58 C ATOM 629 CG LYS A 73 -20.015 26.237 48.424 1.00 74.11 C ATOM 630 CD LYS A 73 -19.031 27.369 48.506 1.00 81.59 C ATOM 631 CE LYS A 73 -19.740 28.665 48.876 1.00 89.33 C ATOM 632 NZ LYS A 73 -20.457 28.582 50.192 1.00 94.23 N ATOM 633 HZ1 LYS A 73 -21.173 27.829 50.148 1.00 0.00 H ATOM 634 HZ2 LYS A 73 -19.773 28.368 50.945 1.00 0.00 H ATOM 635 HZ3 LYS A 73 -20.920 29.492 50.391 1.00 0.00 H ATOM 636 H LYS A 73 -21.041 26.186 45.628 1.00 0.00 H ATOM 637 N LEU A 74 -18.746 24.121 44.260 1.00 57.40 N ATOM 638 CA LEU A 74 -17.995 23.116 43.521 1.00 55.72 C ATOM 639 C LEU A 74 -16.693 23.717 43.018 1.00 66.81 C ATOM 640 O LEU A 74 -16.646 24.882 42.600 1.00 68.71 O ATOM 641 CB LEU A 74 -18.812 22.586 42.365 1.00 50.93 C ATOM 642 CG LEU A 74 -19.985 21.712 42.776 1.00 53.50 C ATOM 643 CD1 LEU A 74 -20.763 21.240 41.546 1.00 48.14 C ATOM 644 CD2 LEU A 74 -19.438 20.562 43.582 1.00 55.94 C ATOM 645 H LEU A 74 -19.660 24.462 43.900 1.00 0.00 H ATOM 646 N GLU A 75 -15.623 22.922 43.090 1.00 70.76 N ATOM 647 CA GLU A 75 -14.298 23.421 42.732 1.00 79.47 C ATOM 648 C GLU A 75 -14.225 23.840 41.271 1.00 71.07 C ATOM 649 O GLU A 75 -13.532 24.808 40.935 1.00 73.39 O ATOM 650 CB GLU A 75 -13.235 22.362 43.035 1.00 92.17 C ATOM 651 CG GLU A 75 -12.000 22.448 42.137 1.00102.88 C ATOM 652 CD GLU A 75 -10.887 21.474 42.538 1.00113.21 C ATOM 653 OE1 GLU A 75 -11.004 20.851 43.625 1.00117.41 O ATOM 654 OE2 GLU A 75 -9.894 21.340 41.766 1.00116.59 O ATOM 655 H GLU A 75 -15.734 21.937 43.404 1.00 0.00 H ATOM 656 N ASP A 76 -14.950 23.162 40.397 1.00 63.82 N ATOM 657 CA ASP A 76 -14.856 23.470 38.984 1.00 66.59 C ATOM 658 C ASP A 76 -15.895 24.486 38.521 1.00 62.10 C ATOM 659 O ASP A 76 -15.882 24.875 37.349 1.00 58.99 O ATOM 660 CB ASP A 76 -14.978 22.182 38.175 1.00 71.36 C ATOM 661 CG ASP A 76 -13.828 21.201 38.444 1.00 82.59 C ATOM 662 OD1 ASP A 76 -12.658 21.658 38.516 1.00 86.41 O ATOM 663 OD2 ASP A 76 -14.107 19.973 38.574 1.00 84.40 O ATOM 664 H ASP A 76 -15.587 22.408 40.724 1.00 0.00 H ATOM 665 N VAL A 77 -16.810 24.899 39.395 1.00 57.19 N ATOM 666 CA VAL A 77 -17.784 25.934 39.070 1.00 54.61 C ATOM 667 C VAL A 77 -17.175 27.265 39.489 1.00 57.49 C ATOM 668 O VAL A 77 -16.993 27.519 40.676 1.00 56.63 O ATOM 669 CB VAL A 77 -19.120 25.713 39.782 1.00 48.51 C ATOM 670 CG1 VAL A 77 -19.977 26.934 39.600 1.00 48.12 C ATOM 671 CG2 VAL A 77 -19.816 24.511 39.245 1.00 41.99 C ATOM 672 H VAL A 77 -16.831 24.469 40.342 1.00 0.00 H ATOM 673 N VAL A 78 -16.851 28.116 38.520 1.00 57.46 N ATOM 674 CA VAL A 78 -16.286 29.409 38.881 1.00 58.65 C ATOM 675 C VAL A 78 -17.334 30.496 39.042 1.00 53.84 C ATOM 676 O VAL A 78 -16.983 31.591 39.473 1.00 56.11 O ATOM 677 CB VAL A 78 -15.232 29.858 37.854 1.00 63.37 C ATOM 678 CG1 VAL A 78 -14.322 28.715 37.549 1.00 66.89 C ATOM 679 CG2 VAL A 78 -15.902 30.334 36.587 1.00 62.17 C ATOM 680 H VAL A 78 -16.998 27.863 37.522 1.00 0.00 H ATOM 681 N LYS A 79 -18.597 30.243 38.701 1.00 51.11 N ATOM 682 CA LYS A 79 -19.576 31.322 38.743 1.00 49.22 C ATOM 683 C LYS A 79 -20.953 30.745 38.461 1.00 45.38 C ATOM 684 O LYS A 79 -21.083 29.837 37.635 1.00 43.70 O ATOM 685 CB LYS A 79 -19.218 32.419 37.712 1.00 55.88 C ATOM 686 CG LYS A 79 -20.209 33.565 37.536 1.00 61.34 C ATOM 687 CD LYS A 79 -19.656 34.628 36.586 1.00 67.51 C ATOM 688 CE LYS A 79 -20.540 35.854 36.596 1.00 76.09 C ATOM 689 NZ LYS A 79 -20.421 36.712 35.352 1.00 79.39 N ATOM 690 HZ1 LYS A 79 -19.440 37.042 35.252 1.00 0.00 H ATOM 691 HZ2 LYS A 79 -20.685 36.150 34.518 1.00 0.00 H ATOM 692 HZ3 LYS A 79 -21.057 37.531 35.435 1.00 0.00 H ATOM 693 H LYS A 79 -18.881 29.286 38.408 1.00 0.00 H ATOM 694 N VAL A 80 -21.987 31.288 39.126 1.00 43.84 N ATOM 695 CA VAL A 80 -23.381 30.922 38.854 1.00 45.72 C ATOM 696 C VAL A 80 -24.204 32.199 38.733 1.00 46.01 C ATOM 697 O VAL A 80 -24.057 33.117 39.540 1.00 47.15 O ATOM 698 CB VAL A 80 -23.966 29.992 39.950 1.00 48.21 C ATOM 699 CG1 VAL A 80 -25.280 29.264 39.478 1.00 36.68 C ATOM 700 CG2 VAL A 80 -22.959 28.942 40.294 1.00 54.52 C ATOM 701 H VAL A 80 -21.791 31.996 39.863 1.00 0.00 H ATOM 702 N GLN A 81 -25.075 32.263 37.737 1.00 42.25 N ATOM 703 CA GLN A 81 -26.082 33.314 37.639 1.00 40.91 C ATOM 704 C GLN A 81 -27.445 32.652 37.586 1.00 36.87 C ATOM 705 O GLN A 81 -27.562 31.520 37.124 1.00 35.35 O ATOM 706 CB GLN A 81 -25.887 34.166 36.334 1.00 41.89 C ATOM 707 CG GLN A 81 -24.510 34.864 36.216 1.00 51.30 C ATOM 708 CD GLN A 81 -24.294 35.573 34.830 1.00 53.40 C ATOM 709 OE1 GLN A 81 -24.492 34.977 33.781 1.00 53.76 O ATOM 710 NE2 GLN A 81 -23.866 36.821 34.861 1.00 56.34 N ATOM 711 HE22 GLN A 81 -23.709 37.294 35.774 1.00 0.00 H ATOM 712 HE21 GLN A 81 -23.686 37.331 33.973 1.00 0.00 H ATOM 713 H GLN A 81 -25.040 31.535 36.995 1.00 0.00 H ATOM 714 N ARG A 82 -28.458 33.335 38.084 1.00 37.28 N ATOM 715 CA ARG A 82 -29.854 32.912 38.019 1.00 39.16 C ATOM 716 C ARG A 82 -30.665 33.920 37.200 1.00 40.63 C ATOM 717 O ARG A 82 -30.612 35.141 37.488 1.00 37.16 O ATOM 718 CB ARG A 82 -30.405 32.796 39.452 1.00 41.35 C ATOM 719 CG ARG A 82 -31.830 32.315 39.594 1.00 39.47 C ATOM 720 CD ARG A 82 -32.308 32.315 41.064 1.00 40.39 C ATOM 721 NE ARG A 82 -33.750 32.526 41.056 1.00 42.46 N ATOM 722 CZ ARG A 82 -34.667 31.592 41.270 1.00 47.21 C ATOM 723 NH1 ARG A 82 -34.307 30.346 41.586 1.00 51.41 N ATOM 724 NH2 ARG A 82 -35.954 31.917 41.197 1.00 48.33 N ATOM 725 HE ARG A 82 -34.089 33.491 40.866 1.00 0.00 H ATOM 726 HH12 ARG A 82 -35.034 29.621 41.752 1.00 0.00 H ATOM 727 HH11 ARG A 82 -33.300 30.100 41.666 1.00 0.00 H ATOM 728 HH22 ARG A 82 -36.683 31.194 41.363 1.00 0.00 H ATOM 729 HH21 ARG A 82 -36.232 32.894 40.974 1.00 0.00 H ATOM 730 H ARG A 82 -28.248 34.238 38.556 1.00 0.00 H ATOM 731 N ASN A 83 -31.403 33.424 36.203 1.00 34.07 N ATOM 732 CA ASN A 83 -32.261 34.224 35.315 1.00 34.91 C ATOM 733 C ASN A 83 -31.551 35.450 34.749 1.00 36.03 C ATOM 734 O ASN A 83 -32.114 36.539 34.678 1.00 39.00 O ATOM 735 CB ASN A 83 -33.552 34.614 36.022 1.00 40.79 C ATOM 736 CG ASN A 83 -34.462 33.456 36.227 1.00 40.27 C ATOM 737 OD1 ASN A 83 -34.211 32.351 35.718 1.00 37.78 O ATOM 738 ND2 ASN A 83 -35.519 33.670 37.000 1.00 44.31 N ATOM 739 HD22 ASN A 83 -35.686 34.614 37.403 1.00 0.00 H ATOM 740 HD21 ASN A 83 -36.181 32.894 37.203 1.00 0.00 H ATOM 741 H ASN A 83 -31.369 32.397 36.043 1.00 0.00 H ATOM 742 N GLN A 84 -30.316 35.241 34.283 1.00 36.24 N ATOM 743 CA GLN A 84 -29.546 36.193 33.496 1.00 42.14 C ATOM 744 C GLN A 84 -29.232 35.612 32.094 1.00 45.83 C ATOM 745 O GLN A 84 -28.161 35.820 31.530 1.00 35.67 O ATOM 746 CB GLN A 84 -28.290 36.543 34.256 1.00 39.89 C ATOM 747 CG GLN A 84 -28.636 37.201 35.655 1.00 45.88 C ATOM 748 CD GLN A 84 -27.502 37.955 36.103 1.00 47.48 C ATOM 749 OE1 GLN A 84 -27.045 38.894 35.428 1.00 57.29 O ATOM 750 NE2 GLN A 84 -26.930 37.531 37.209 1.00 49.04 N ATOM 751 HE22 GLN A 84 -27.348 36.742 37.741 1.00 0.00 H ATOM 752 HE21 GLN A 84 -26.059 37.985 37.551 1.00 0.00 H ATOM 753 H GLN A 84 -29.870 34.327 34.500 1.00 0.00 H ATOM 754 N SER A 85 -30.178 34.856 31.557 1.00 33.19 N ATOM 755 CA SER A 85 -30.151 34.276 30.209 1.00 31.91 C ATOM 756 C SER A 85 -31.484 34.554 29.563 1.00 41.04 C ATOM 757 O SER A 85 -32.463 34.845 30.254 1.00 41.60 O ATOM 758 CB SER A 85 -29.979 32.727 30.277 1.00 28.52 C ATOM 759 OG SER A 85 -28.954 32.453 31.198 1.00 30.25 O ATOM 760 HG SER A 85 -29.205 32.812 32.086 1.00 0.00 H ATOM 761 H SER A 85 -31.014 34.656 32.142 1.00 0.00 H ATOM 762 N ASP A 86 -31.544 34.404 28.222 1.00 33.30 N ATOM 763 CA ASP A 86 -32.802 34.613 27.541 1.00 34.92 C ATOM 764 C ASP A 86 -33.803 33.599 28.095 1.00 42.35 C ATOM 765 O ASP A 86 -33.518 32.382 28.081 1.00 35.71 O ATOM 766 CB ASP A 86 -32.562 34.468 26.013 1.00 35.53 C ATOM 767 CG ASP A 86 -33.822 34.421 25.199 1.00 48.94 C ATOM 768 OD1 ASP A 86 -33.698 34.223 23.949 1.00 51.32 O ATOM 769 OD2 ASP A 86 -34.930 34.530 25.745 1.00 41.49 O ATOM 770 H ASP A 86 -30.693 34.141 27.685 1.00 0.00 H ATOM 771 N PRO A 87 -34.957 34.028 28.628 1.00 40.23 N ATOM 772 CA PRO A 87 -35.794 33.022 29.321 1.00 38.15 C ATOM 773 C PRO A 87 -36.389 31.983 28.355 1.00 39.85 C ATOM 774 O PRO A 87 -36.820 30.922 28.815 1.00 42.12 O ATOM 775 CB PRO A 87 -36.901 33.828 29.989 1.00 37.04 C ATOM 776 CG PRO A 87 -36.844 35.243 29.367 1.00 40.30 C ATOM 777 CD PRO A 87 -35.474 35.398 28.750 1.00 39.73 C ATOM 778 N THR A 88 -36.486 32.283 27.056 1.00 43.83 N ATOM 779 CA THR A 88 -37.030 31.357 26.060 1.00 42.51 C ATOM 780 C THR A 88 -35.961 30.638 25.235 1.00 38.16 C ATOM 781 O THR A 88 -36.300 30.017 24.236 1.00 44.13 O ATOM 782 CB THR A 88 -37.995 32.082 25.101 1.00 43.58 C ATOM 783 OG1 THR A 88 -37.347 33.189 24.435 1.00 48.56 O ATOM 784 CG2 THR A 88 -39.205 32.551 25.862 1.00 46.54 C ATOM 785 HG1 THR A 88 -37.029 33.839 25.111 1.00 0.00 H ATOM 786 H THR A 88 -36.160 33.218 26.738 1.00 0.00 H ATOM 787 N MET A 89 -34.692 30.685 25.638 1.00 35.55 N ATOM 788 CA MET A 89 -33.644 30.071 24.849 1.00 32.15 C ATOM 789 C MET A 89 -33.950 28.600 24.563 1.00 34.84 C ATOM 790 O MET A 89 -33.769 28.146 23.449 1.00 30.05 O ATOM 791 CB MET A 89 -32.297 30.203 25.561 1.00 31.62 C ATOM 792 CG MET A 89 -32.247 29.631 27.042 1.00 29.27 C ATOM 793 SD MET A 89 -30.554 29.807 27.680 1.00 33.06 S ATOM 794 CE MET A 89 -29.669 28.449 26.896 1.00 29.62 C ATOM 795 H MET A 89 -34.452 31.167 26.528 1.00 0.00 H ATOM 796 N PHE A 90 -34.444 27.832 25.540 1.00 35.81 N ATOM 797 CA PHE A 90 -34.702 26.419 25.216 1.00 28.60 C ATOM 798 C PHE A 90 -35.894 26.252 24.275 1.00 36.39 C ATOM 799 O PHE A 90 -35.902 25.318 23.458 1.00 36.97 O ATOM 800 CB PHE A 90 -34.888 25.600 26.491 1.00 27.52 C ATOM 801 CG PHE A 90 -33.620 25.448 27.226 1.00 30.01 C ATOM 802 CD1 PHE A 90 -32.721 24.465 26.860 1.00 27.22 C ATOM 803 CD2 PHE A 90 -33.270 26.379 28.237 1.00 29.18 C ATOM 804 CE1 PHE A 90 -31.509 24.369 27.488 1.00 29.99 C ATOM 805 CE2 PHE A 90 -32.050 26.289 28.868 1.00 28.50 C ATOM 806 CZ PHE A 90 -31.181 25.262 28.530 1.00 27.71 C ATOM 807 H PHE A 90 -34.637 28.216 26.487 1.00 0.00 H ATOM 808 N ASN A 91 -36.915 27.126 24.366 1.00 41.41 N ATOM 809 CA ASN A 91 -37.993 27.056 23.389 1.00 45.61 C ATOM 810 C ASN A 91 -37.460 27.372 22.002 1.00 44.64 C ATOM 811 O ASN A 91 -37.863 26.728 21.017 1.00 43.25 O ATOM 812 CB ASN A 91 -39.153 27.993 23.744 1.00 53.11 C ATOM 813 CG ASN A 91 -39.875 27.561 25.026 1.00 67.52 C ATOM 814 OD1 ASN A 91 -39.298 27.602 26.108 1.00 67.86 O ATOM 815 ND2 ASN A 91 -41.140 27.153 24.906 1.00 72.47 N ATOM 816 HD22 ASN A 91 -41.593 27.133 23.970 1.00 0.00 H ATOM 817 HD21 ASN A 91 -41.672 26.855 25.748 1.00 0.00 H ATOM 818 H ASN A 91 -36.933 27.840 25.122 1.00 0.00 H ATOM 819 N LYS A 92 -36.518 28.321 21.905 1.00 42.90 N ATOM 820 CA LYS A 92 -35.973 28.698 20.588 1.00 46.24 C ATOM 821 C LYS A 92 -35.099 27.564 20.031 1.00 40.03 C ATOM 822 O LYS A 92 -35.218 27.180 18.860 1.00 38.35 O ATOM 823 CB LYS A 92 -35.177 30.014 20.682 1.00 40.61 C ATOM 824 CG LYS A 92 -35.974 31.335 21.003 1.00 45.41 C ATOM 825 CD LYS A 92 -34.959 32.516 21.143 1.00 40.75 C ATOM 826 CE LYS A 92 -35.579 33.931 21.491 1.00 49.71 C ATOM 827 NZ LYS A 92 -37.058 33.839 21.472 1.00 55.66 N ATOM 828 HZ1 LYS A 92 -37.374 33.544 20.526 1.00 0.00 H ATOM 829 HZ2 LYS A 92 -37.370 33.140 22.176 1.00 0.00 H ATOM 830 HZ3 LYS A 92 -37.465 34.768 21.701 1.00 0.00 H ATOM 831 H LYS A 92 -36.170 28.794 22.763 1.00 0.00 H ATOM 832 N ILE A 93 -34.231 27.010 20.866 1.00 38.43 N ATOM 833 CA ILE A 93 -33.366 25.910 20.428 1.00 45.18 C ATOM 834 C ILE A 93 -34.194 24.706 19.977 1.00 43.22 C ATOM 835 O ILE A 93 -33.971 24.147 18.892 1.00 41.54 O ATOM 836 CB ILE A 93 -32.380 25.527 21.546 1.00 41.24 C ATOM 837 CG1 ILE A 93 -31.443 26.697 21.822 1.00 39.34 C ATOM 838 CG2 ILE A 93 -31.650 24.230 21.220 1.00 37.84 C ATOM 839 CD1 ILE A 93 -30.351 26.437 22.764 1.00 35.91 C ATOM 840 H ILE A 93 -34.163 27.360 21.843 1.00 0.00 H ATOM 841 N ALA A 94 -35.182 24.314 20.789 1.00 35.83 N ATOM 842 CA ALA A 94 -36.061 23.200 20.471 1.00 33.81 C ATOM 843 C ALA A 94 -36.646 23.310 19.060 1.00 46.22 C ATOM 844 O ALA A 94 -36.833 22.293 18.380 1.00 43.99 O ATOM 845 CB ALA A 94 -37.200 23.121 21.477 1.00 35.52 C ATOM 846 H ALA A 94 -35.327 24.826 21.683 1.00 0.00 H ATOM 847 N VAL A 95 -36.954 24.538 18.603 1.00 37.97 N ATOM 848 CA VAL A 95 -37.708 24.683 17.370 1.00 40.50 C ATOM 849 C VAL A 95 -36.881 24.179 16.210 1.00 44.09 C ATOM 850 O VAL A 95 -37.430 23.710 15.187 1.00 46.50 O ATOM 851 CB VAL A 95 -38.134 26.152 17.169 1.00 50.23 C ATOM 852 CG1 VAL A 95 -37.053 26.911 16.436 1.00 50.45 C ATOM 853 CG2 VAL A 95 -39.399 26.240 16.393 1.00 52.77 C ATOM 854 H VAL A 95 -36.653 25.381 19.132 1.00 0.00 H ATOM 855 N PHE A 96 -35.555 24.299 16.320 1.00 43.09 N ATOM 856 CA PHE A 96 -34.675 23.850 15.247 1.00 53.66 C ATOM 857 C PHE A 96 -34.279 22.406 15.392 1.00 60.92 C ATOM 858 O PHE A 96 -34.100 21.722 14.377 1.00 70.47 O ATOM 859 CB PHE A 96 -33.405 24.707 15.189 1.00 54.18 C ATOM 860 CG PHE A 96 -33.622 26.017 14.521 1.00 64.46 C ATOM 861 CD1 PHE A 96 -34.185 26.075 13.260 1.00 65.08 C ATOM 862 CD2 PHE A 96 -33.318 27.192 15.157 1.00 69.35 C ATOM 863 CE1 PHE A 96 -34.419 27.254 12.659 1.00 72.00 C ATOM 864 CE2 PHE A 96 -33.548 28.407 14.511 1.00 72.13 C ATOM 865 CZ PHE A 96 -34.105 28.429 13.294 1.00 72.63 C ATOM 866 H PHE A 96 -35.146 24.717 17.180 1.00 0.00 H ATOM 867 N PHE A 97 -34.171 21.912 16.630 1.00 57.29 N ATOM 868 CA PHE A 97 -33.629 20.587 16.884 1.00 59.35 C ATOM 869 C PHE A 97 -34.684 19.606 17.358 1.00 70.76 C ATOM 870 O PHE A 97 -34.346 18.565 17.908 1.00 78.37 O ATOM 871 CB PHE A 97 -32.452 20.701 17.852 1.00 55.13 C ATOM 872 CG PHE A 97 -31.331 21.474 17.251 1.00 63.38 C ATOM 873 CD1 PHE A 97 -30.624 20.946 16.174 1.00 68.97 C ATOM 874 CD2 PHE A 97 -31.065 22.767 17.637 1.00 67.15 C ATOM 875 CE1 PHE A 97 -29.625 21.670 15.559 1.00 71.40 C ATOM 876 CE2 PHE A 97 -30.069 23.515 17.007 1.00 67.34 C ATOM 877 CZ PHE A 97 -29.347 22.970 15.982 1.00 70.38 C ATOM 878 H PHE A 97 -34.484 22.492 17.434 1.00 0.00 H ATOM 879 N GLN A 98 -35.955 19.916 17.144 1.00 76.23 N ATOM 880 CA GLN A 98 -37.039 18.935 17.162 1.00 82.08 C ATOM 881 C GLN A 98 -38.091 19.417 16.165 1.00 90.26 C ATOM 882 O GLN A 98 -38.442 18.742 15.192 1.00 95.53 O ATOM 883 CB GLN A 98 -37.663 18.778 18.552 1.00 82.92 C ATOM 884 CG GLN A 98 -36.716 18.928 19.740 1.00 80.94 C ATOM 885 CD GLN A 98 -37.371 18.563 21.063 1.00 80.75 C ATOM 886 OE1 GLN A 98 -36.976 17.594 21.721 1.00 76.32 O ATOM 887 NE2 GLN A 98 -38.381 19.341 21.458 1.00 83.00 N ATOM 888 OXT GLN A 98 -38.603 20.536 16.300 1.00 92.87 O ATOM 889 HE22 GLN A 98 -38.678 20.146 20.870 1.00 0.00 H ATOM 890 HE21 GLN A 98 -38.871 19.142 22.354 1.00 0.00 H ATOM 891 H GLN A 98 -36.194 20.910 16.953 1.00 0.00 H TER 892 GLN A 98 ATOM 893 N ASP B 9 -11.106 15.510 16.101 1.00 90.12 N ATOM 894 CA ASP B 9 -12.302 15.668 15.279 1.00 85.39 C ATOM 895 C ASP B 9 -13.572 15.125 15.940 1.00 76.09 C ATOM 896 O ASP B 9 -13.560 14.024 16.487 1.00 70.75 O ATOM 897 CB ASP B 9 -12.109 14.985 13.945 1.00 87.68 C ATOM 898 CG ASP B 9 -12.624 15.828 12.822 1.00 93.13 C ATOM 899 OD1 ASP B 9 -13.477 16.697 13.139 1.00 94.59 O ATOM 900 OD2 ASP B 9 -12.169 15.652 11.660 1.00 91.71 O ATOM 901 HN3 ASP B 9 -10.950 14.500 16.294 1.00 0.00 H ATOM 902 HN2 ASP B 9 -11.234 16.020 16.998 1.00 0.00 H ATOM 903 HN1 ASP B 9 -10.285 15.898 15.594 1.00 0.00 H ATOM 904 N ASN B 10 -14.674 15.871 15.844 1.00 70.85 N ATOM 905 CA ASN B 10 -15.810 15.677 16.734 1.00 65.04 C ATOM 906 C ASN B 10 -16.951 14.866 16.109 1.00 54.19 C ATOM 907 O ASN B 10 -17.072 14.741 14.886 1.00 55.23 O ATOM 908 CB ASN B 10 -16.338 17.032 17.201 1.00 69.71 C ATOM 909 CG ASN B 10 -15.390 17.731 18.143 1.00 71.98 C ATOM 910 OD1 ASN B 10 -14.629 17.096 18.880 1.00 70.21 O ATOM 911 ND2 ASN B 10 -15.429 19.062 18.124 1.00 74.97 N ATOM 912 HD22 ASN B 10 -16.087 19.554 17.486 1.00 0.00 H ATOM 913 HD21 ASN B 10 -14.802 19.610 18.747 1.00 0.00 H ATOM 914 H ASN B 10 -14.723 16.610 15.114 1.00 0.00 H ATOM 915 N VAL B 11 -17.803 14.317 16.984 1.00 40.68 N ATOM 916 CA VAL B 11 -19.005 13.623 16.551 1.00 40.48 C ATOM 917 C VAL B 11 -20.122 13.877 17.550 1.00 38.14 C ATOM 918 O VAL B 11 -19.878 14.112 18.739 1.00 37.81 O ATOM 919 CB VAL B 11 -18.744 12.088 16.374 1.00 45.31 C ATOM 920 CG1 VAL B 11 -18.469 11.423 17.725 1.00 44.98 C ATOM 921 CG2 VAL B 11 -19.915 11.422 15.731 1.00 49.35 C ATOM 922 H VAL B 11 -17.599 14.389 18.001 1.00 0.00 H ATOM 923 N ILE B 12 -21.363 13.839 17.081 1.00 33.65 N ATOM 924 CA ILE B 12 -22.499 13.898 17.997 1.00 35.03 C ATOM 925 C ILE B 12 -23.003 12.497 18.344 1.00 35.15 C ATOM 926 O ILE B 12 -23.271 11.679 17.461 1.00 40.25 O ATOM 927 CB ILE B 12 -23.624 14.734 17.408 1.00 40.18 C ATOM 928 CG1 ILE B 12 -23.169 16.187 17.446 1.00 46.29 C ATOM 929 CG2 ILE B 12 -24.899 14.555 18.222 1.00 32.19 C ATOM 930 CD1 ILE B 12 -24.174 17.038 16.969 1.00 50.90 C ATOM 931 H ILE B 12 -21.527 13.767 16.057 1.00 0.00 H ATOM 932 N LEU B 13 -23.179 12.230 19.634 1.00 32.06 N ATOM 933 CA LEU B 13 -23.795 10.993 20.073 1.00 34.98 C ATOM 934 C LEU B 13 -25.205 11.381 20.513 1.00 36.21 C ATOM 935 O LEU B 13 -25.362 12.332 21.261 1.00 35.54 O ATOM 936 CB LEU B 13 -22.904 10.385 21.156 1.00 31.69 C ATOM 937 CG LEU B 13 -23.108 9.016 21.738 1.00 51.37 C ATOM 938 CD1 LEU B 13 -21.883 8.677 22.589 1.00 53.37 C ATOM 939 CD2 LEU B 13 -24.256 9.134 22.650 1.00 60.62 C ATOM 940 H LEU B 13 -22.868 12.923 20.344 1.00 0.00 H ATOM 941 N GLU B 14 -26.243 10.750 19.980 1.00 33.05 N ATOM 942 CA GLU B 14 -27.589 11.206 20.343 1.00 35.09 C ATOM 943 C GLU B 14 -28.328 10.164 21.178 1.00 34.68 C ATOM 944 O GLU B 14 -28.513 9.029 20.721 1.00 36.03 O ATOM 945 CB GLU B 14 -28.399 11.541 19.096 1.00 51.97 C ATOM 946 CG GLU B 14 -29.835 11.821 19.476 1.00 59.10 C ATOM 947 CD GLU B 14 -30.578 12.722 18.488 1.00 58.74 C ATOM 948 OE1 GLU B 14 -31.612 13.275 18.965 1.00 58.83 O ATOM 949 OE2 GLU B 14 -30.151 12.831 17.292 1.00 48.02 O ATOM 950 H GLU B 14 -26.106 9.955 19.324 1.00 0.00 H ATOM 951 N LEU B 15 -28.746 10.532 22.408 1.00 26.72 N ATOM 952 CA LEU B 15 -29.452 9.587 23.286 1.00 29.56 C ATOM 953 C LEU B 15 -30.924 9.947 23.397 1.00 33.36 C ATOM 954 O LEU B 15 -31.286 11.117 23.573 1.00 32.17 O ATOM 955 CB LEU B 15 -28.854 9.592 24.704 1.00 31.16 C ATOM 956 CG LEU B 15 -27.343 9.431 24.668 1.00 39.59 C ATOM 957 CD1 LEU B 15 -26.861 9.192 26.076 1.00 38.18 C ATOM 958 CD2 LEU B 15 -27.106 8.194 23.885 1.00 45.23 C ATOM 959 H LEU B 15 -28.565 11.501 22.740 1.00 0.00 H ATOM 960 N THR B 16 -31.781 8.959 23.362 1.00 28.46 N ATOM 961 CA THR B 16 -33.120 9.144 23.900 1.00 26.07 C ATOM 962 C THR B 16 -33.114 8.517 25.288 1.00 32.14 C ATOM 963 O THR B 16 -32.772 7.336 25.422 1.00 32.39 O ATOM 964 CB THR B 16 -34.155 8.492 22.994 1.00 33.64 C ATOM 965 OG1 THR B 16 -33.987 8.998 21.665 1.00 39.63 O ATOM 966 CG2 THR B 16 -35.588 8.769 23.474 1.00 35.26 C ATOM 967 HG1 THR B 16 -33.076 8.783 21.344 1.00 0.00 H ATOM 968 H THR B 16 -31.506 8.044 22.951 1.00 0.00 H ATOM 969 N VAL B 17 -33.477 9.287 26.322 1.00 27.40 N ATOM 970 CA VAL B 17 -33.401 8.790 27.688 1.00 28.27 C ATOM 971 C VAL B 17 -34.703 9.086 28.421 1.00 35.70 C ATOM 972 O VAL B 17 -35.530 9.887 27.976 1.00 40.54 O ATOM 973 CB VAL B 17 -32.210 9.377 28.461 1.00 26.50 C ATOM 974 CG1 VAL B 17 -30.873 9.142 27.741 1.00 23.12 C ATOM 975 CG2 VAL B 17 -32.419 10.953 28.753 1.00 22.46 C ATOM 976 H VAL B 17 -33.818 10.254 26.146 1.00 0.00 H ATOM 977 N ARG B 18 -34.881 8.411 29.578 1.00 31.84 N ATOM 978 CA ARG B 18 -36.004 8.724 30.449 1.00 29.16 C ATOM 979 C ARG B 18 -35.797 10.114 31.063 1.00 27.72 C ATOM 980 O ARG B 18 -34.704 10.460 31.527 1.00 28.38 O ATOM 981 CB ARG B 18 -36.140 7.722 31.580 1.00 29.19 C ATOM 982 CG ARG B 18 -36.523 6.346 31.114 1.00 40.56 C ATOM 983 CD ARG B 18 -37.819 6.388 30.372 1.00 52.24 C ATOM 984 NE ARG B 18 -37.801 5.361 29.342 1.00 64.02 N ATOM 985 CZ ARG B 18 -38.837 4.606 28.990 1.00 71.74 C ATOM 986 NH1 ARG B 18 -40.004 4.808 29.574 1.00 78.46 N ATOM 987 NH2 ARG B 18 -38.697 3.680 28.042 1.00 70.00 N ATOM 988 HE ARG B 18 -36.904 5.205 28.840 1.00 0.00 H ATOM 989 HH12 ARG B 18 -40.825 4.226 29.311 1.00 0.00 H ATOM 990 HH11 ARG B 18 -40.102 5.549 30.297 1.00 0.00 H ATOM 991 HH22 ARG B 18 -39.508 3.090 27.768 1.00 0.00 H ATOM 992 HH21 ARG B 18 -37.776 3.547 27.577 1.00 0.00 H ATOM 993 H ARG B 18 -34.211 7.663 29.848 1.00 0.00 H ATOM 994 N ASN B 19 -36.829 10.909 31.067 1.00 28.70 N ATOM 995 CA ASN B 19 -36.642 12.268 31.665 1.00 28.21 C ATOM 996 C ASN B 19 -36.966 12.185 33.156 1.00 33.47 C ATOM 997 O ASN B 19 -38.091 12.419 33.580 1.00 38.02 O ATOM 998 CB ASN B 19 -37.500 13.281 30.937 1.00 29.91 C ATOM 999 CG ASN B 19 -37.350 14.719 31.518 1.00 31.12 C ATOM 1000 OD1 ASN B 19 -36.353 15.055 32.185 1.00 32.63 O ATOM 1001 ND2 ASN B 19 -38.348 15.535 31.268 1.00 32.86 N ATOM 1002 HD22 ASN B 19 -39.159 15.207 30.706 1.00 0.00 H ATOM 1003 HD21 ASN B 19 -38.327 16.509 31.632 1.00 0.00 H ATOM 1004 H ASN B 19 -37.744 10.612 30.671 1.00 0.00 H ATOM 1005 N HIS B 20 -35.967 11.793 33.949 1.00 37.71 N ATOM 1006 CA HIS B 20 -36.039 11.508 35.382 1.00 37.26 C ATOM 1007 C HIS B 20 -34.760 11.996 36.019 1.00 31.90 C ATOM 1008 O HIS B 20 -33.688 11.885 35.423 1.00 29.20 O ATOM 1009 CB HIS B 20 -36.102 10.002 35.742 1.00 47.18 C ATOM 1010 CG HIS B 20 -37.245 9.265 35.164 1.00 62.11 C ATOM 1011 ND1 HIS B 20 -38.352 9.895 34.641 1.00 70.71 N ATOM 1012 CD2 HIS B 20 -37.460 7.938 35.026 1.00 70.56 C ATOM 1013 CE1 HIS B 20 -39.196 8.988 34.184 1.00 74.55 C ATOM 1014 NE2 HIS B 20 -38.685 7.791 34.422 1.00 73.74 N ATOM 1015 H HIS B 20 -35.036 11.678 33.500 1.00 0.00 H ATOM 1016 N PRO B 21 -34.813 12.307 37.307 1.00 33.80 N ATOM 1017 CA PRO B 21 -33.595 12.761 37.999 1.00 34.44 C ATOM 1018 C PRO B 21 -32.473 11.739 38.013 1.00 33.51 C ATOM 1019 O PRO B 21 -32.696 10.520 38.086 1.00 31.14 O ATOM 1020 CB PRO B 21 -34.087 13.072 39.438 1.00 33.21 C ATOM 1021 CG PRO B 21 -35.601 13.299 39.292 1.00 33.28 C ATOM 1022 CD PRO B 21 -36.053 12.472 38.095 1.00 29.84 C ATOM 1023 N GLY B 22 -31.233 12.247 37.967 1.00 32.74 N ATOM 1024 CA GLY B 22 -30.063 11.351 38.023 1.00 31.51 C ATOM 1025 C GLY B 22 -29.691 10.702 36.696 1.00 36.71 C ATOM 1026 O GLY B 22 -28.588 10.151 36.573 1.00 42.47 O ATOM 1027 H GLY B 22 -31.096 13.275 37.892 1.00 0.00 H ATOM 1028 N VAL B 23 -30.566 10.753 35.696 1.00 32.91 N ATOM 1029 CA VAL B 23 -30.261 10.120 34.402 1.00 33.41 C ATOM 1030 C VAL B 23 -29.020 10.748 33.762 1.00 32.98 C ATOM 1031 O VAL B 23 -28.074 10.055 33.386 1.00 30.39 O ATOM 1032 CB VAL B 23 -31.486 10.225 33.490 1.00 32.51 C ATOM 1033 CG1 VAL B 23 -31.100 9.849 32.095 1.00 36.21 C ATOM 1034 CG2 VAL B 23 -32.599 9.306 34.083 1.00 31.97 C ATOM 1035 H VAL B 23 -31.473 11.244 35.829 1.00 0.00 H ATOM 1036 N MET B 24 -28.944 12.092 33.747 1.00 34.23 N ATOM 1037 CA MET B 24 -27.778 12.744 33.148 1.00 29.75 C ATOM 1038 C MET B 24 -26.522 12.534 33.982 1.00 30.26 C ATOM 1039 O MET B 24 -25.416 12.459 33.428 1.00 30.43 O ATOM 1040 CB MET B 24 -28.084 14.239 32.950 1.00 32.00 C ATOM 1041 CG MET B 24 -26.988 15.007 32.333 1.00 33.72 C ATOM 1042 SD MET B 24 -26.905 14.546 30.570 1.00 38.71 S ATOM 1043 CE MET B 24 -25.859 15.847 29.995 1.00 41.17 C ATOM 1044 H MET B 24 -29.709 12.664 34.159 1.00 0.00 H ATOM 1045 N THR B 25 -26.657 12.385 35.310 1.00 29.90 N ATOM 1046 CA THR B 25 -25.498 11.961 36.094 1.00 32.86 C ATOM 1047 C THR B 25 -24.971 10.587 35.658 1.00 35.25 C ATOM 1048 O THR B 25 -23.752 10.399 35.550 1.00 40.38 O ATOM 1049 CB THR B 25 -25.838 11.936 37.581 1.00 38.14 C ATOM 1050 OG1 THR B 25 -26.477 13.158 37.940 1.00 46.59 O ATOM 1051 CG2 THR B 25 -24.555 11.828 38.387 1.00 38.08 C ATOM 1052 HG1 THR B 25 -27.308 13.262 37.412 1.00 0.00 H ATOM 1053 H THR B 25 -27.570 12.568 35.773 1.00 0.00 H ATOM 1054 N HIS B 26 -25.865 9.601 35.461 1.00 35.96 N ATOM 1055 CA HIS B 26 -25.437 8.260 35.008 1.00 38.34 C ATOM 1056 C HIS B 26 -24.726 8.311 33.649 1.00 36.99 C ATOM 1057 O HIS B 26 -23.660 7.707 33.465 1.00 35.10 O ATOM 1058 CB HIS B 26 -26.649 7.330 34.906 1.00 51.30 C ATOM 1059 CG HIS B 26 -27.355 7.104 36.199 1.00 71.93 C ATOM 1060 ND1 HIS B 26 -26.860 7.551 37.405 1.00 80.11 N ATOM 1061 CD2 HIS B 26 -28.537 6.508 36.475 1.00 78.05 C ATOM 1062 CE1 HIS B 26 -27.697 7.227 38.375 1.00 82.63 C ATOM 1063 NE2 HIS B 26 -28.721 6.587 37.836 1.00 81.25 N ATOM 1064 H HIS B 26 -26.874 9.785 35.630 1.00 0.00 H ATOM 1065 N VAL B 27 -25.291 9.054 32.684 1.00 37.31 N ATOM 1066 CA VAL B 27 -24.669 9.146 31.363 1.00 35.34 C ATOM 1067 C VAL B 27 -23.300 9.802 31.452 1.00 40.87 C ATOM 1068 O VAL B 27 -22.293 9.222 31.014 1.00 41.27 O ATOM 1069 CB VAL B 27 -25.585 9.899 30.389 1.00 32.01 C ATOM 1070 CG1 VAL B 27 -24.893 10.051 29.019 1.00 34.15 C ATOM 1071 CG2 VAL B 27 -26.938 9.175 30.292 1.00 33.03 C ATOM 1072 H VAL B 27 -26.175 9.567 32.876 1.00 0.00 H ATOM 1073 N CYS B 28 -23.233 11.021 32.046 1.00 38.64 N ATOM 1074 CA CYS B 28 -21.961 11.740 32.078 1.00 37.77 C ATOM 1075 C CYS B 28 -20.940 11.021 32.943 1.00 37.58 C ATOM 1076 O CYS B 28 -19.731 11.087 32.666 1.00 40.32 O ATOM 1077 CB CYS B 28 -22.189 13.211 32.547 1.00 39.70 C ATOM 1078 SG CYS B 28 -23.037 14.127 31.228 1.00 40.15 S ATOM 1079 H CYS B 28 -24.082 11.441 32.476 1.00 0.00 H ATOM 1080 N GLY B 29 -21.403 10.345 33.994 1.00 37.14 N ATOM 1081 CA GLY B 29 -20.513 9.504 34.782 1.00 40.95 C ATOM 1082 C GLY B 29 -19.709 8.503 33.967 1.00 42.27 C ATOM 1083 O GLY B 29 -18.522 8.288 34.237 1.00 41.46 O ATOM 1084 H GLY B 29 -22.407 10.419 34.253 1.00 0.00 H ATOM 1085 N LEU B 30 -20.331 7.871 32.960 1.00 38.93 N ATOM 1086 CA LEU B 30 -19.555 6.981 32.093 1.00 41.52 C ATOM 1087 C LEU B 30 -18.367 7.694 31.475 1.00 43.29 C ATOM 1088 O LEU B 30 -17.294 7.103 31.339 1.00 36.47 O ATOM 1089 CB LEU B 30 -20.405 6.420 30.953 1.00 39.55 C ATOM 1090 CG LEU B 30 -21.489 5.472 31.415 1.00 41.33 C ATOM 1091 CD1 LEU B 30 -22.184 4.931 30.190 1.00 46.40 C ATOM 1092 CD2 LEU B 30 -20.840 4.367 32.274 1.00 45.76 C ATOM 1093 H LEU B 30 -21.349 8.011 32.797 1.00 0.00 H ATOM 1094 N PHE B 31 -18.553 8.957 31.047 1.00 39.12 N ATOM 1095 CA PHE B 31 -17.442 9.685 30.443 1.00 40.59 C ATOM 1096 C PHE B 31 -16.436 10.080 31.510 1.00 39.38 C ATOM 1097 O PHE B 31 -15.226 9.889 31.343 1.00 43.42 O ATOM 1098 CB PHE B 31 -17.954 10.932 29.685 1.00 41.93 C ATOM 1099 CG PHE B 31 -18.784 10.600 28.467 1.00 41.42 C ATOM 1100 CD1 PHE B 31 -20.161 10.436 28.564 1.00 40.69 C ATOM 1101 CD2 PHE B 31 -18.189 10.433 27.236 1.00 42.45 C ATOM 1102 CE1 PHE B 31 -20.931 10.104 27.426 1.00 37.58 C ATOM 1103 CE2 PHE B 31 -18.957 10.098 26.100 1.00 38.73 C ATOM 1104 CZ PHE B 31 -20.345 9.954 26.226 1.00 33.86 C ATOM 1105 H PHE B 31 -19.483 9.411 31.146 1.00 0.00 H ATOM 1106 N ALA B 32 -16.928 10.605 32.635 1.00 39.95 N ATOM 1107 CA ALA B 32 -16.044 10.987 33.734 1.00 42.21 C ATOM 1108 C ALA B 32 -15.156 9.825 34.178 1.00 44.84 C ATOM 1109 O ALA B 32 -13.952 10.003 34.389 1.00 45.44 O ATOM 1110 CB ALA B 32 -16.879 11.514 34.908 1.00 44.09 C ATOM 1111 H ALA B 32 -17.954 10.744 32.730 1.00 0.00 H ATOM 1112 N ARG B 33 -15.723 8.620 34.310 1.00 45.31 N ATOM 1113 CA ARG B 33 -14.928 7.457 34.745 1.00 53.58 C ATOM 1114 C ARG B 33 -13.856 7.039 33.737 1.00 58.75 C ATOM 1115 O ARG B 33 -13.125 6.080 34.003 1.00 62.08 O ATOM 1116 CB ARG B 33 -15.837 6.259 35.031 1.00 57.62 C ATOM 1117 CG ARG B 33 -16.914 6.548 36.077 1.00 70.21 C ATOM 1118 CD ARG B 33 -17.433 5.272 36.760 1.00 84.18 C ATOM 1119 NE ARG B 33 -18.618 4.703 36.104 1.00 89.49 N ATOM 1120 CZ ARG B 33 -19.853 5.197 36.216 1.00 90.83 C ATOM 1121 NH1 ARG B 33 -20.070 6.285 36.951 1.00 89.81 N ATOM 1122 NH2 ARG B 33 -20.873 4.613 35.587 1.00 89.95 N ATOM 1123 HE ARG B 33 -18.486 3.858 35.512 1.00 0.00 H ATOM 1124 HH12 ARG B 33 -21.032 6.670 37.038 1.00 0.00 H ATOM 1125 HH11 ARG B 33 -19.277 6.750 37.438 1.00 0.00 H ATOM 1126 HH22 ARG B 33 -21.833 5.003 35.679 1.00 0.00 H ATOM 1127 HH21 ARG B 33 -20.709 3.767 35.005 1.00 0.00 H ATOM 1128 H ARG B 33 -16.736 8.503 34.103 1.00 0.00 H ATOM 1129 N ARG B 34 -13.757 7.705 32.586 1.00 57.69 N ATOM 1130 CA ARG B 34 -12.680 7.477 31.628 1.00 57.56 C ATOM 1131 C ARG B 34 -11.854 8.723 31.358 1.00 59.75 C ATOM 1132 O ARG B 34 -11.044 8.709 30.426 1.00 58.11 O ATOM 1133 CB ARG B 34 -13.246 6.953 30.313 1.00 52.95 C ATOM 1134 CG ARG B 34 -13.704 5.547 30.475 1.00 61.49 C ATOM 1135 CD ARG B 34 -14.626 5.103 29.386 1.00 66.01 C ATOM 1136 NE ARG B 34 -14.649 3.641 29.315 1.00 75.59 N ATOM 1137 CZ ARG B 34 -13.990 2.915 28.411 1.00 84.23 C ATOM 1138 NH1 ARG B 34 -14.085 1.587 28.447 1.00 87.59 N ATOM 1139 NH2 ARG B 34 -13.236 3.505 27.477 1.00 84.50 N ATOM 1140 HE ARG B 34 -15.220 3.132 30.020 1.00 0.00 H ATOM 1141 HH12 ARG B 34 -13.576 1.010 27.747 1.00 0.00 H ATOM 1142 HH11 ARG B 34 -14.668 1.127 29.175 1.00 0.00 H ATOM 1143 HH22 ARG B 34 -12.727 2.927 26.778 1.00 0.00 H ATOM 1144 HH21 ARG B 34 -13.158 4.542 27.450 1.00 0.00 H ATOM 1145 H ARG B 34 -14.479 8.419 32.361 1.00 0.00 H ATOM 1146 N ALA B 35 -12.045 9.798 32.141 1.00 55.10 N ATOM 1147 CA ALA B 35 -11.387 11.081 31.888 1.00 55.23 C ATOM 1148 C ALA B 35 -11.628 11.543 30.444 1.00 52.55 C ATOM 1149 O ALA B 35 -10.751 12.110 29.792 1.00 52.45 O ATOM 1150 CB ALA B 35 -9.892 11.007 32.204 1.00 55.49 C ATOM 1151 H ALA B 35 -12.684 9.716 32.957 1.00 0.00 H ATOM 1152 N PHE B 36 -12.835 11.291 29.953 1.00 48.38 N ATOM 1153 CA PHE B 36 -13.236 11.579 28.584 1.00 48.13 C ATOM 1154 C PHE B 36 -14.056 12.851 28.620 1.00 45.08 C ATOM 1155 O PHE B 36 -15.177 12.854 29.126 1.00 44.81 O ATOM 1156 CB PHE B 36 -14.069 10.431 28.015 1.00 50.95 C ATOM 1157 CG PHE B 36 -14.235 10.462 26.502 1.00 51.45 C ATOM 1158 CD1 PHE B 36 -14.215 11.648 25.794 1.00 55.90 C ATOM 1159 CD2 PHE B 36 -14.407 9.291 25.803 1.00 55.41 C ATOM 1160 CE1 PHE B 36 -14.352 11.668 24.413 1.00 56.50 C ATOM 1161 CE2 PHE B 36 -14.536 9.300 24.416 1.00 60.79 C ATOM 1162 CZ PHE B 36 -14.508 10.503 23.724 1.00 58.31 C ATOM 1163 H PHE B 36 -13.539 10.861 30.586 1.00 0.00 H ATOM 1164 N ASN B 37 -13.546 13.911 28.027 1.00 49.11 N ATOM 1165 CA ASN B 37 -14.230 15.178 28.155 1.00 48.08 C ATOM 1166 C ASN B 37 -15.406 15.259 27.183 1.00 48.04 C ATOM 1167 O ASN B 37 -15.365 14.708 26.078 1.00 48.24 O ATOM 1168 CB ASN B 37 -13.220 16.289 27.939 1.00 51.47 C ATOM 1169 CG ASN B 37 -13.777 17.640 28.223 1.00 52.91 C ATOM 1170 OD1 ASN B 37 -14.139 17.933 29.365 1.00 62.62 O ATOM 1171 ND2 ASN B 37 -13.886 18.471 27.185 1.00 49.37 N ATOM 1172 HD22 ASN B 37 -13.564 18.171 26.243 1.00 0.00 H ATOM 1173 HD21 ASN B 37 -14.293 19.419 27.318 1.00 0.00 H ATOM 1174 H ASN B 37 -12.667 13.838 27.476 1.00 0.00 H ATOM 1175 N VAL B 38 -16.481 15.922 27.615 1.00 49.20 N ATOM 1176 CA VAL B 38 -17.639 16.219 26.767 1.00 45.30 C ATOM 1177 C VAL B 38 -17.580 17.681 26.335 1.00 40.85 C ATOM 1178 O VAL B 38 -17.481 18.584 27.172 1.00 38.52 O ATOM 1179 CB VAL B 38 -18.948 15.912 27.507 1.00 40.20 C ATOM 1180 CG1 VAL B 38 -20.122 16.404 26.668 1.00 34.14 C ATOM 1181 CG2 VAL B 38 -19.024 14.369 27.751 1.00 34.23 C ATOM 1182 H VAL B 38 -16.498 16.244 28.604 1.00 0.00 H ATOM 1183 N GLU B 39 -17.623 17.934 25.030 1.00 38.94 N ATOM 1184 CA GLU B 39 -17.371 19.298 24.587 1.00 41.99 C ATOM 1185 C GLU B 39 -18.639 20.122 24.504 1.00 38.85 C ATOM 1186 O GLU B 39 -18.602 21.323 24.711 1.00 51.93 O ATOM 1187 CB GLU B 39 -16.669 19.303 23.219 1.00 51.74 C ATOM 1188 CG GLU B 39 -15.340 18.533 23.174 1.00 63.02 C ATOM 1189 CD GLU B 39 -14.281 19.122 24.117 1.00 72.26 C ATOM 1190 OE1 GLU B 39 -14.395 20.325 24.485 1.00 70.66 O ATOM 1191 OE2 GLU B 39 -13.336 18.367 24.470 1.00 77.90 O ATOM 1192 H GLU B 39 -17.831 17.179 24.345 1.00 0.00 H ATOM 1193 N GLY B 40 -19.753 19.487 24.206 1.00 41.99 N ATOM 1194 CA GLY B 40 -21.008 20.157 23.984 1.00 36.96 C ATOM 1195 C GLY B 40 -22.093 19.200 24.435 1.00 31.41 C ATOM 1196 O GLY B 40 -21.978 17.978 24.275 1.00 29.77 O ATOM 1197 H GLY B 40 -19.725 18.450 24.127 1.00 0.00 H ATOM 1198 N ILE B 41 -23.139 19.768 25.015 1.00 29.39 N ATOM 1199 CA ILE B 41 -24.339 19.083 25.397 1.00 25.35 C ATOM 1200 C ILE B 41 -25.552 19.900 25.034 1.00 25.20 C ATOM 1201 O ILE B 41 -25.620 21.108 25.310 1.00 29.52 O ATOM 1202 CB ILE B 41 -24.364 18.857 26.923 1.00 29.79 C ATOM 1203 CG1 ILE B 41 -23.114 18.098 27.333 1.00 36.94 C ATOM 1204 CG2 ILE B 41 -25.695 18.097 27.322 1.00 24.36 C ATOM 1205 CD1 ILE B 41 -23.018 17.885 28.879 1.00 38.98 C ATOM 1206 H ILE B 41 -23.086 20.789 25.208 1.00 0.00 H ATOM 1207 N LEU B 42 -26.568 19.205 24.584 1.00 29.91 N ATOM 1208 CA LEU B 42 -27.920 19.708 24.520 1.00 27.75 C ATOM 1209 C LEU B 42 -28.825 18.634 25.052 1.00 30.29 C ATOM 1210 O LEU B 42 -28.748 17.473 24.603 1.00 27.76 O ATOM 1211 CB LEU B 42 -28.325 20.084 23.082 1.00 29.03 C ATOM 1212 CG LEU B 42 -29.766 20.640 22.961 1.00 28.68 C ATOM 1213 CD1 LEU B 42 -29.869 22.041 23.739 1.00 27.83 C ATOM 1214 CD2 LEU B 42 -30.078 20.896 21.446 1.00 28.76 C ATOM 1215 H LEU B 42 -26.390 18.235 24.254 1.00 0.00 H ATOM 1216 N CYS B 43 -29.717 19.017 25.968 1.00 28.70 N ATOM 1217 CA CYS B 43 -30.737 18.107 26.428 1.00 28.00 C ATOM 1218 C CYS B 43 -32.084 18.783 26.353 1.00 29.07 C ATOM 1219 O CYS B 43 -32.293 19.813 26.984 1.00 31.06 O ATOM 1220 CB CYS B 43 -30.466 17.628 27.894 1.00 30.66 C ATOM 1221 SG CYS B 43 -31.827 16.610 28.484 1.00 34.72 S ATOM 1222 H CYS B 43 -29.676 19.982 26.354 1.00 0.00 H ATOM 1223 N LEU B 44 -33.029 18.158 25.695 1.00 32.69 N ATOM 1224 CA LEU B 44 -34.331 18.729 25.565 1.00 31.21 C ATOM 1225 C LEU B 44 -35.364 17.658 25.851 1.00 34.45 C ATOM 1226 O LEU B 44 -35.224 16.514 25.393 1.00 29.83 O ATOM 1227 CB LEU B 44 -34.586 19.272 24.146 1.00 25.54 C ATOM 1228 CG LEU B 44 -33.751 20.465 23.710 1.00 31.66 C ATOM 1229 CD1 LEU B 44 -33.990 20.752 22.138 1.00 27.66 C ATOM 1230 CD2 LEU B 44 -34.037 21.723 24.602 1.00 31.71 C ATOM 1231 H LEU B 44 -32.828 17.234 25.262 1.00 0.00 H ATOM 1232 N PRO B 45 -36.441 18.019 26.528 1.00 38.47 N ATOM 1233 CA PRO B 45 -37.530 17.061 26.734 1.00 37.18 C ATOM 1234 C PRO B 45 -38.336 16.857 25.456 1.00 41.83 C ATOM 1235 O PRO B 45 -38.522 17.774 24.654 1.00 39.82 O ATOM 1236 CB PRO B 45 -38.363 17.719 27.836 1.00 43.14 C ATOM 1237 CG PRO B 45 -38.064 19.203 27.683 1.00 43.35 C ATOM 1238 CD PRO B 45 -36.669 19.325 27.177 1.00 38.73 C ATOM 1239 N ILE B 46 -38.786 15.611 25.255 1.00 42.99 N ATOM 1240 CA ILE B 46 -39.629 15.233 24.122 1.00 42.36 C ATOM 1241 C ILE B 46 -41.083 15.410 24.553 1.00 52.83 C ATOM 1242 O ILE B 46 -41.541 14.782 25.518 1.00 59.91 O ATOM 1243 CB ILE B 46 -39.335 13.787 23.698 1.00 41.24 C ATOM 1244 CG1 ILE B 46 -37.851 13.668 23.262 1.00 35.02 C ATOM 1245 CG2 ILE B 46 -40.342 13.299 22.632 1.00 43.87 C ATOM 1246 CD1 ILE B 46 -37.384 12.128 22.922 1.00 34.48 C ATOM 1247 H ILE B 46 -38.522 14.875 25.940 1.00 0.00 H ATOM 1248 N GLN B 47 -41.807 16.286 23.863 1.00 57.45 N ATOM 1249 CA GLN B 47 -43.126 16.699 24.331 1.00 55.31 C ATOM 1250 C GLN B 47 -44.109 15.531 24.297 1.00 59.86 C ATOM 1251 O GLN B 47 -44.022 14.632 23.453 1.00 57.65 O ATOM 1252 CB GLN B 47 -43.661 17.867 23.482 1.00 53.56 C ATOM 1253 H GLN B 47 -41.429 16.682 22.979 1.00 0.00 H ATOM 1254 N ASP B 48 -45.053 15.560 25.242 1.00 65.67 N ATOM 1255 CA ASP B 48 -46.059 14.514 25.402 1.00 75.16 C ATOM 1256 C ASP B 48 -45.396 13.154 25.576 1.00 73.80 C ATOM 1257 O ASP B 48 -45.799 12.161 24.966 1.00 75.35 O ATOM 1258 CB ASP B 48 -47.047 14.502 24.236 1.00 84.43 C ATOM 1259 CG ASP B 48 -47.836 15.798 24.128 1.00 93.97 C ATOM 1260 OD1 ASP B 48 -47.878 16.566 25.116 1.00 96.44 O ATOM 1261 OD2 ASP B 48 -48.423 16.058 23.055 1.00 99.63 O ATOM 1262 H ASP B 48 -45.072 16.368 25.896 1.00 0.00 H ATOM 1263 N SER B 49 -44.361 13.113 26.411 1.00 69.74 N ATOM 1264 CA SER B 49 -43.658 11.869 26.690 1.00 63.61 C ATOM 1265 C SER B 49 -42.911 12.031 28.006 1.00 59.25 C ATOM 1266 O SER B 49 -42.880 13.110 28.599 1.00 60.92 O ATOM 1267 CB SER B 49 -42.715 11.498 25.546 1.00 55.99 C ATOM 1268 OG SER B 49 -41.534 12.263 25.588 1.00 53.02 O ATOM 1269 HG SER B 49 -41.761 13.223 25.511 1.00 0.00 H ATOM 1270 H SER B 49 -44.047 13.989 26.875 1.00 0.00 H ATOM 1271 N ASP B 50 -42.308 10.937 28.455 1.00 51.46 N ATOM 1272 CA ASP B 50 -41.490 10.900 29.656 1.00 44.07 C ATOM 1273 C ASP B 50 -40.023 10.834 29.320 1.00 38.59 C ATOM 1274 O ASP B 50 -39.216 10.451 30.177 1.00 39.64 O ATOM 1275 CB ASP B 50 -41.853 9.681 30.492 1.00 55.96 C ATOM 1276 CG ASP B 50 -41.700 8.365 29.682 1.00 73.19 C ATOM 1277 OD1 ASP B 50 -42.217 8.317 28.511 1.00 72.93 O ATOM 1278 OD2 ASP B 50 -41.053 7.405 30.208 1.00 78.54 O ATOM 1279 H ASP B 50 -42.428 10.055 27.916 1.00 0.00 H ATOM 1280 N LYS B 51 -39.674 11.103 28.068 1.00 38.26 N ATOM 1281 CA LYS B 51 -38.324 10.980 27.552 1.00 32.38 C ATOM 1282 C LYS B 51 -37.763 12.359 27.203 1.00 32.93 C ATOM 1283 O LYS B 51 -38.506 13.313 27.000 1.00 32.50 O ATOM 1284 CB LYS B 51 -38.356 10.083 26.318 1.00 35.19 C ATOM 1285 CG LYS B 51 -38.927 8.662 26.622 1.00 42.05 C ATOM 1286 CD LYS B 51 -38.893 7.817 25.390 1.00 51.77 C ATOM 1287 CE LYS B 51 -40.230 7.130 25.144 1.00 65.44 C ATOM 1288 NZ LYS B 51 -41.323 8.138 24.862 1.00 69.52 N ATOM 1289 HZ1 LYS B 51 -41.423 8.776 25.677 1.00 0.00 H ATOM 1290 HZ2 LYS B 51 -41.074 8.690 24.017 1.00 0.00 H ATOM 1291 HZ3 LYS B 51 -42.220 7.638 24.699 1.00 0.00 H ATOM 1292 H LYS B 51 -40.417 11.423 27.414 1.00 0.00 H ATOM 1293 N SER B 52 -36.434 12.444 27.132 1.00 30.86 N ATOM 1294 CA SER B 52 -35.723 13.598 26.600 1.00 30.45 C ATOM 1295 C SER B 52 -34.686 13.097 25.612 1.00 31.15 C ATOM 1296 O SER B 52 -34.402 11.884 25.569 1.00 29.80 O ATOM 1297 CB SER B 52 -35.052 14.408 27.707 1.00 35.28 C ATOM 1298 OG SER B 52 -36.030 14.750 28.667 1.00 34.02 O ATOM 1299 HG SER B 52 -35.609 15.276 29.392 1.00 0.00 H ATOM 1300 H SER B 52 -35.873 11.639 27.477 1.00 0.00 H ATOM 1301 N HIS B 53 -34.273 14.009 24.709 1.00 24.27 N ATOM 1302 CA HIS B 53 -33.148 13.812 23.799 1.00 24.03 C ATOM 1303 C HIS B 53 -31.952 14.492 24.388 1.00 31.57 C ATOM 1304 O HIS B 53 -32.027 15.677 24.808 1.00 34.11 O ATOM 1305 CB HIS B 53 -33.358 14.389 22.358 1.00 27.86 C ATOM 1306 CG HIS B 53 -34.035 13.459 21.425 1.00 46.43 C ATOM 1307 ND1 HIS B 53 -35.089 13.850 20.623 1.00 51.86 N ATOM 1308 CD2 HIS B 53 -33.859 12.127 21.211 1.00 51.14 C ATOM 1309 CE1 HIS B 53 -35.530 12.799 19.950 1.00 53.52 C ATOM 1310 NE2 HIS B 53 -34.815 11.740 20.307 1.00 53.57 N ATOM 1311 H HIS B 53 -34.789 14.911 24.657 1.00 0.00 H ATOM 1312 N ILE B 54 -30.843 13.793 24.342 1.00 31.32 N ATOM 1313 CA ILE B 54 -29.546 14.336 24.683 1.00 32.76 C ATOM 1314 C ILE B 54 -28.666 14.225 23.453 1.00 34.43 C ATOM 1315 O ILE B 54 -28.557 13.137 22.879 1.00 33.49 O ATOM 1316 CB ILE B 54 -28.924 13.564 25.847 1.00 30.34 C ATOM 1317 CG1 ILE B 54 -29.809 13.679 27.069 1.00 28.92 C ATOM 1318 CG2 ILE B 54 -27.525 14.079 26.098 1.00 37.49 C ATOM 1319 CD1 ILE B 54 -29.208 12.820 28.338 1.00 28.34 C ATOM 1320 H ILE B 54 -30.899 12.798 24.045 1.00 0.00 H ATOM 1321 N TRP B 55 -28.034 15.343 23.068 1.00 32.16 N ATOM 1322 CA TRP B 55 -26.954 15.405 22.084 1.00 32.23 C ATOM 1323 C TRP B 55 -25.645 15.689 22.788 1.00 30.56 C ATOM 1324 O TRP B 55 -25.526 16.712 23.483 1.00 28.27 O ATOM 1325 CB TRP B 55 -27.153 16.561 21.066 1.00 29.91 C ATOM 1326 CG TRP B 55 -28.325 16.510 20.233 1.00 30.90 C ATOM 1327 CD1 TRP B 55 -28.365 16.136 18.911 1.00 35.65 C ATOM 1328 CD2 TRP B 55 -29.680 16.822 20.598 1.00 25.93 C ATOM 1329 NE1 TRP B 55 -29.635 16.217 18.438 1.00 39.13 N ATOM 1330 CE2 TRP B 55 -30.465 16.650 19.429 1.00 39.23 C ATOM 1331 CE3 TRP B 55 -30.289 17.319 21.752 1.00 30.42 C ATOM 1332 CZ2 TRP B 55 -31.839 16.907 19.395 1.00 33.64 C ATOM 1333 CZ3 TRP B 55 -31.677 17.581 21.719 1.00 32.95 C ATOM 1334 CH2 TRP B 55 -32.423 17.351 20.555 1.00 32.47 C ATOM 1335 HE1 TRP B 55 -29.930 15.984 17.468 1.00 0.00 H ATOM 1336 H TRP B 55 -28.336 16.238 23.504 1.00 0.00 H ATOM 1337 N LEU B 56 -24.648 14.852 22.544 1.00 30.22 N ATOM 1338 CA LEU B 56 -23.328 15.007 23.145 1.00 30.31 C ATOM 1339 C LEU B 56 -22.305 15.143 22.048 1.00 37.12 C ATOM 1340 O LEU B 56 -22.226 14.283 21.154 1.00 33.49 O ATOM 1341 CB LEU B 56 -22.936 13.819 24.004 1.00 30.56 C ATOM 1342 CG LEU B 56 -23.948 13.490 25.043 1.00 33.28 C ATOM 1343 CD1 LEU B 56 -23.640 12.100 25.599 1.00 39.55 C ATOM 1344 CD2 LEU B 56 -23.865 14.560 26.169 1.00 30.23 C ATOM 1345 H LEU B 56 -24.813 14.053 21.899 1.00 0.00 H ATOM 1346 N LEU B 57 -21.528 16.221 22.123 1.00 36.18 N ATOM 1347 CA LEU B 57 -20.507 16.520 21.140 1.00 37.55 C ATOM 1348 C LEU B 57 -19.212 16.059 21.771 1.00 39.94 C ATOM 1349 O LEU B 57 -18.786 16.602 22.801 1.00 34.90 O ATOM 1350 CB LEU B 57 -20.465 18.016 20.810 1.00 38.54 C ATOM 1351 CG LEU B 57 -19.342 18.478 19.907 1.00 42.63 C ATOM 1352 CD1 LEU B 57 -19.551 17.877 18.475 1.00 50.95 C ATOM 1353 CD2 LEU B 57 -19.276 20.095 19.816 1.00 37.84 C ATOM 1354 H LEU B 57 -21.659 16.876 22.920 1.00 0.00 H ATOM 1355 N VAL B 58 -18.610 15.034 21.187 1.00 42.17 N ATOM 1356 CA VAL B 58 -17.375 14.484 21.713 1.00 45.04 C ATOM 1357 C VAL B 58 -16.399 14.207 20.576 1.00 45.02 C ATOM 1358 O VAL B 58 -16.768 14.118 19.403 1.00 44.91 O ATOM 1359 CB VAL B 58 -17.654 13.209 22.514 1.00 43.44 C ATOM 1360 CG1 VAL B 58 -18.591 13.539 23.687 1.00 37.30 C ATOM 1361 CG2 VAL B 58 -18.291 12.120 21.609 1.00 35.21 C ATOM 1362 H VAL B 58 -19.031 14.615 20.334 1.00 0.00 H ATOM 1363 N ASN B 59 -15.136 14.092 20.954 1.00 46.71 N ATOM 1364 CA ASN B 59 -14.107 13.587 20.072 1.00 53.60 C ATOM 1365 C ASN B 59 -14.423 12.157 19.598 1.00 53.15 C ATOM 1366 O ASN B 59 -14.668 11.235 20.401 1.00 45.35 O ATOM 1367 CB ASN B 59 -12.773 13.655 20.816 1.00 61.94 C ATOM 1368 CG ASN B 59 -11.590 13.608 19.891 1.00 72.79 C ATOM 1369 OD1 ASN B 59 -11.294 14.593 19.202 1.00 79.08 O ATOM 1370 ND2 ASN B 59 -10.892 12.466 19.868 1.00 74.73 N ATOM 1371 HD22 ASN B 59 -11.183 11.667 20.467 1.00 0.00 H ATOM 1372 HD21 ASN B 59 -10.059 12.378 19.251 1.00 0.00 H ATOM 1373 H ASN B 59 -14.874 14.375 21.920 1.00 0.00 H ATOM 1374 N ASP B 60 -14.451 11.974 18.282 1.00 53.46 N ATOM 1375 CA ASP B 60 -14.580 10.627 17.741 1.00 61.01 C ATOM 1376 C ASP B 60 -13.350 9.843 18.155 1.00 68.06 C ATOM 1377 O ASP B 60 -12.215 10.248 17.894 1.00 79.80 O ATOM 1378 CB ASP B 60 -14.724 10.665 16.216 1.00 67.33 C ATOM 1379 CG ASP B 60 -15.451 9.441 15.634 1.00 70.90 C ATOM 1380 OD1 ASP B 60 -15.750 8.461 16.361 1.00 62.13 O ATOM 1381 OD2 ASP B 60 -15.707 9.467 14.398 1.00 80.11 O ATOM 1382 H ASP B 60 -14.381 12.789 17.640 1.00 0.00 H ATOM 1383 N ASP B 61 -13.564 8.725 18.807 1.00 60.66 N ATOM 1384 CA ASP B 61 -12.486 8.147 19.576 1.00 63.93 C ATOM 1385 C ASP B 61 -12.654 6.642 19.553 1.00 57.20 C ATOM 1386 O ASP B 61 -13.777 6.147 19.684 1.00 58.50 O ATOM 1387 CB ASP B 61 -12.533 8.682 21.021 1.00 71.71 C ATOM 1388 CG ASP B 61 -11.210 8.580 21.722 1.00 79.82 C ATOM 1389 OD1 ASP B 61 -10.795 7.452 22.049 1.00 83.86 O ATOM 1390 OD2 ASP B 61 -10.589 9.633 21.954 1.00 84.58 O ATOM 1391 H ASP B 61 -14.495 8.262 18.771 1.00 0.00 H ATOM 1392 N GLN B 62 -11.538 5.930 19.387 1.00 56.06 N ATOM 1393 CA GLN B 62 -11.518 4.499 19.651 1.00 57.23 C ATOM 1394 C GLN B 62 -12.206 4.172 20.981 1.00 66.12 C ATOM 1395 O GLN B 62 -12.961 3.198 21.075 1.00 72.50 O ATOM 1396 CB GLN B 62 -10.077 4.003 19.650 1.00 54.51 C ATOM 1397 H GLN B 62 -10.670 6.404 19.064 1.00 0.00 H ATOM 1398 N ARG B 63 -11.963 4.982 22.016 1.00 68.60 N ATOM 1399 CA ARG B 63 -12.641 4.794 23.300 1.00 72.12 C ATOM 1400 C ARG B 63 -14.150 4.931 23.169 1.00 70.11 C ATOM 1401 O ARG B 63 -14.909 4.317 23.931 1.00 67.41 O ATOM 1402 CB ARG B 63 -12.148 5.821 24.325 1.00 75.94 C ATOM 1403 CG ARG B 63 -10.699 5.685 24.786 1.00 81.80 C ATOM 1404 CD ARG B 63 -10.346 6.870 25.696 1.00 83.32 C ATOM 1405 NE ARG B 63 -10.564 8.141 25.007 1.00 83.98 N ATOM 1406 CZ ARG B 63 -10.507 9.343 25.575 1.00 86.42 C ATOM 1407 NH1 ARG B 63 -10.248 9.473 26.878 1.00 89.99 N ATOM 1408 NH2 ARG B 63 -10.726 10.420 24.829 1.00 84.07 N ATOM 1409 HE ARG B 63 -10.781 8.103 23.991 1.00 0.00 H ATOM 1410 HH12 ARG B 63 -10.207 10.419 27.308 1.00 0.00 H ATOM 1411 HH11 ARG B 63 -10.088 8.628 27.463 1.00 0.00 H ATOM 1412 HH22 ARG B 63 -10.685 11.367 25.258 1.00 0.00 H ATOM 1413 HH21 ARG B 63 -10.938 10.317 23.816 1.00 0.00 H ATOM 1414 H ARG B 63 -11.281 5.759 21.907 1.00 0.00 H ATOM 1415 N LEU B 64 -14.610 5.760 22.235 1.00 69.18 N ATOM 1416 CA LEU B 64 -16.039 5.983 22.158 1.00 61.92 C ATOM 1417 C LEU B 64 -16.768 4.743 21.641 1.00 59.29 C ATOM 1418 O LEU B 64 -17.963 4.602 21.906 1.00 52.91 O ATOM 1419 CB LEU B 64 -16.295 7.239 21.318 1.00 52.48 C ATOM 1420 CG LEU B 64 -17.713 7.713 21.108 1.00 40.47 C ATOM 1421 CD1 LEU B 64 -18.357 8.176 22.473 1.00 40.78 C ATOM 1422 CD2 LEU B 64 -17.575 8.818 20.071 1.00 42.58 C ATOM 1423 H LEU B 64 -13.960 6.236 21.577 1.00 0.00 H ATOM 1424 N GLU B 65 -16.059 3.816 20.980 1.00 67.53 N ATOM 1425 CA GLU B 65 -16.622 2.501 20.645 1.00 69.78 C ATOM 1426 C GLU B 65 -16.970 1.701 21.893 1.00 71.93 C ATOM 1427 O GLU B 65 -18.100 1.211 22.041 1.00 71.13 O ATOM 1428 CB GLU B 65 -15.639 1.675 19.804 1.00 71.46 C ATOM 1429 CG GLU B 65 -15.569 1.942 18.315 1.00 63.89 C ATOM 1430 CD GLU B 65 -16.905 1.815 17.638 1.00 61.64 C ATOM 1431 OE1 GLU B 65 -17.327 2.790 16.963 1.00 65.64 O ATOM 1432 OE2 GLU B 65 -17.542 0.762 17.784 1.00 60.57 O ATOM 1433 H GLU B 65 -15.083 4.034 20.696 1.00 0.00 H ATOM 1434 N GLN B 66 -15.984 1.476 22.767 1.00 72.72 N ATOM 1435 CA GLN B 66 -16.276 0.734 23.991 1.00 74.45 C ATOM 1436 C GLN B 66 -17.356 1.423 24.815 1.00 66.01 C ATOM 1437 O GLN B 66 -18.205 0.755 25.421 1.00 67.70 O ATOM 1438 CB GLN B 66 -15.006 0.559 24.820 1.00 81.32 C ATOM 1439 H GLN B 66 -15.022 1.824 22.578 1.00 0.00 H ATOM 1440 N MET B 67 -17.363 2.754 24.825 1.00 58.03 N ATOM 1441 CA MET B 67 -18.343 3.461 25.637 1.00 57.46 C ATOM 1442 C MET B 67 -19.752 3.279 25.102 1.00 55.89 C ATOM 1443 O MET B 67 -20.719 3.323 25.863 1.00 54.12 O ATOM 1444 CB MET B 67 -18.010 4.956 25.676 1.00 54.84 C ATOM 1445 CG MET B 67 -16.668 5.207 26.278 1.00 60.84 C ATOM 1446 SD MET B 67 -16.752 6.847 26.926 1.00 70.48 S ATOM 1447 CE MET B 67 -18.238 6.705 27.925 1.00 56.07 C ATOM 1448 H MET B 67 -16.673 3.285 24.257 1.00 0.00 H ATOM 1449 N ILE B 68 -19.892 3.135 23.789 1.00 50.78 N ATOM 1450 CA ILE B 68 -21.225 3.200 23.213 1.00 48.69 C ATOM 1451 C ILE B 68 -22.095 2.043 23.712 1.00 38.70 C ATOM 1452 O ILE B 68 -23.270 2.260 24.058 1.00 37.39 O ATOM 1453 CB ILE B 68 -21.117 3.250 21.679 1.00 52.59 C ATOM 1454 CG1 ILE B 68 -20.863 4.677 21.263 1.00 57.96 C ATOM 1455 CG2 ILE B 68 -22.336 2.711 21.053 1.00 49.96 C ATOM 1456 CD1 ILE B 68 -21.073 4.942 19.852 1.00 62.35 C ATOM 1457 H ILE B 68 -19.061 2.978 23.183 1.00 0.00 H ATOM 1458 N SER B 69 -21.534 0.819 23.780 1.00 36.52 N ATOM 1459 CA SER B 69 -22.286 -0.312 24.326 1.00 42.16 C ATOM 1460 C SER B 69 -22.585 -0.099 25.816 1.00 42.33 C ATOM 1461 O SER B 69 -23.698 -0.393 26.267 1.00 44.58 O ATOM 1462 CB SER B 69 -21.555 -1.649 24.082 1.00 56.26 C ATOM 1463 OG SER B 69 -20.229 -1.691 24.599 1.00 60.67 O ATOM 1464 HG SER B 69 -19.828 -2.575 24.404 1.00 0.00 H ATOM 1465 H SER B 69 -20.561 0.677 23.442 1.00 0.00 H ATOM 1466 N GLN B 70 -21.664 0.531 26.559 1.00 40.08 N ATOM 1467 CA GLN B 70 -21.947 0.853 27.963 1.00 44.06 C ATOM 1468 C GLN B 70 -23.134 1.790 28.090 1.00 40.77 C ATOM 1469 O GLN B 70 -24.037 1.577 28.911 1.00 38.78 O ATOM 1470 CB GLN B 70 -20.719 1.468 28.614 1.00 48.51 C ATOM 1471 CG GLN B 70 -19.656 0.426 28.905 1.00 60.49 C ATOM 1472 CD GLN B 70 -18.300 1.061 29.184 1.00 72.17 C ATOM 1473 OE1 GLN B 70 -18.200 2.270 29.436 1.00 68.69 O ATOM 1474 NE2 GLN B 70 -17.240 0.250 29.106 1.00 80.80 N ATOM 1475 HE22 GLN B 70 -17.372 -0.759 28.892 1.00 0.00 H ATOM 1476 HE21 GLN B 70 -16.283 0.628 29.260 1.00 0.00 H ATOM 1477 H GLN B 70 -20.748 0.792 26.140 1.00 0.00 H ATOM 1478 N ILE B 71 -23.149 2.861 27.297 1.00 32.58 N ATOM 1479 CA ILE B 71 -24.270 3.776 27.346 1.00 29.14 C ATOM 1480 C ILE B 71 -25.569 3.061 26.994 1.00 29.56 C ATOM 1481 O ILE B 71 -26.594 3.246 27.657 1.00 37.20 O ATOM 1482 CB ILE B 71 -24.018 4.975 26.398 1.00 35.16 C ATOM 1483 CG1 ILE B 71 -22.790 5.782 26.850 1.00 39.82 C ATOM 1484 CG2 ILE B 71 -25.290 5.846 26.301 1.00 30.89 C ATOM 1485 CD1 ILE B 71 -22.121 6.642 25.697 1.00 41.73 C ATOM 1486 H ILE B 71 -22.358 3.039 26.645 1.00 0.00 H ATOM 1487 N ASP B 72 -25.586 2.324 25.869 1.00 32.41 N ATOM 1488 CA ASP B 72 -26.807 1.622 25.468 1.00 35.38 C ATOM 1489 C ASP B 72 -27.341 0.725 26.590 1.00 35.50 C ATOM 1490 O ASP B 72 -28.548 0.705 26.859 1.00 32.87 O ATOM 1491 CB ASP B 72 -26.551 0.779 24.186 1.00 42.08 C ATOM 1492 CG ASP B 72 -27.727 -0.115 23.839 1.00 45.06 C ATOM 1493 OD1 ASP B 72 -28.818 0.424 23.582 1.00 55.23 O ATOM 1494 OD2 ASP B 72 -27.586 -1.331 23.866 1.00 56.04 O ATOM 1495 H ASP B 72 -24.730 2.253 25.283 1.00 0.00 H ATOM 1496 N LYS B 73 -26.447 0.018 27.273 1.00 33.95 N ATOM 1497 CA LYS B 73 -26.851 -0.858 28.387 1.00 35.89 C ATOM 1498 C LYS B 73 -27.466 -0.109 29.590 1.00 39.07 C ATOM 1499 O LYS B 73 -28.232 -0.703 30.348 1.00 34.94 O ATOM 1500 CB LYS B 73 -25.658 -1.652 28.807 1.00 36.92 C ATOM 1501 CG LYS B 73 -25.571 -2.877 27.965 1.00 44.15 C ATOM 1502 CD LYS B 73 -24.185 -3.381 27.927 1.00 50.08 C ATOM 1503 CE LYS B 73 -23.958 -4.478 28.959 1.00 61.83 C ATOM 1504 NZ LYS B 73 -25.069 -5.494 29.144 1.00 61.20 N ATOM 1505 HZ1 LYS B 73 -25.937 -5.006 29.442 1.00 0.00 H ATOM 1506 HZ2 LYS B 73 -25.239 -5.988 28.245 1.00 0.00 H ATOM 1507 HZ3 LYS B 73 -24.790 -6.183 29.872 1.00 0.00 H ATOM 1508 H LYS B 73 -25.441 0.084 27.016 1.00 0.00 H ATOM 1509 N LEU B 74 -27.315 1.230 29.690 1.00 38.69 N ATOM 1510 CA LEU B 74 -27.937 1.906 30.828 1.00 35.13 C ATOM 1511 C LEU B 74 -29.450 1.694 30.813 1.00 41.11 C ATOM 1512 O LEU B 74 -30.089 1.776 29.764 1.00 31.01 O ATOM 1513 CB LEU B 74 -27.615 3.419 30.825 1.00 33.24 C ATOM 1514 CG LEU B 74 -26.208 3.836 31.198 1.00 28.36 C ATOM 1515 CD1 LEU B 74 -26.085 5.442 31.070 1.00 29.38 C ATOM 1516 CD2 LEU B 74 -25.804 3.392 32.595 1.00 29.56 C ATOM 1517 H LEU B 74 -26.773 1.763 28.980 1.00 0.00 H ATOM 1518 N GLU B 75 -30.034 1.379 31.981 1.00 31.97 N ATOM 1519 CA GLU B 75 -31.473 1.095 32.011 1.00 32.97 C ATOM 1520 C GLU B 75 -32.293 2.268 31.466 1.00 32.32 C ATOM 1521 O GLU B 75 -33.337 2.091 30.829 1.00 38.08 O ATOM 1522 CB GLU B 75 -31.912 0.775 33.438 1.00 34.24 C ATOM 1523 CG GLU B 75 -33.393 0.818 33.659 1.00 35.19 C ATOM 1524 CD GLU B 75 -33.739 0.334 35.117 1.00 48.32 C ATOM 1525 OE1 GLU B 75 -34.889 -0.091 35.399 1.00 46.16 O ATOM 1526 OE2 GLU B 75 -32.803 0.303 35.970 1.00 39.32 O ATOM 1527 H GLU B 75 -29.472 1.337 32.855 1.00 0.00 H ATOM 1528 N ASP B 76 -31.879 3.457 31.775 1.00 29.47 N ATOM 1529 CA ASP B 76 -32.599 4.673 31.389 1.00 31.55 C ATOM 1530 C ASP B 76 -32.264 5.215 30.001 1.00 38.17 C ATOM 1531 O ASP B 76 -32.847 6.247 29.631 1.00 34.49 O ATOM 1532 CB ASP B 76 -32.302 5.801 32.370 1.00 26.91 C ATOM 1533 CG ASP B 76 -32.965 5.615 33.741 1.00 50.36 C ATOM 1534 OD1 ASP B 76 -32.264 5.864 34.769 1.00 50.36 O ATOM 1535 OD2 ASP B 76 -34.163 5.226 33.799 1.00 44.81 O ATOM 1536 H ASP B 76 -30.998 3.552 32.320 1.00 0.00 H ATOM 1537 N VAL B 77 -31.333 4.618 29.255 1.00 31.18 N ATOM 1538 CA VAL B 77 -31.017 5.128 27.918 1.00 29.77 C ATOM 1539 C VAL B 77 -31.854 4.302 26.977 1.00 38.05 C ATOM 1540 O VAL B 77 -31.722 3.071 26.965 1.00 32.23 O ATOM 1541 CB VAL B 77 -29.524 4.995 27.585 1.00 26.69 C ATOM 1542 CG1 VAL B 77 -29.248 5.202 26.033 1.00 26.92 C ATOM 1543 CG2 VAL B 77 -28.659 5.852 28.586 1.00 25.48 C ATOM 1544 H VAL B 77 -30.829 3.787 29.624 1.00 0.00 H ATOM 1545 N VAL B 78 -32.776 4.948 26.286 1.00 28.58 N ATOM 1546 CA VAL B 78 -33.732 4.222 25.461 1.00 37.87 C ATOM 1547 C VAL B 78 -33.110 3.853 24.110 1.00 42.00 C ATOM 1548 O VAL B 78 -33.320 2.754 23.606 1.00 42.02 O ATOM 1549 CB VAL B 78 -34.996 5.091 25.297 1.00 42.90 C ATOM 1550 CG1 VAL B 78 -35.949 4.511 24.307 1.00 42.56 C ATOM 1551 CG2 VAL B 78 -35.684 5.320 26.664 1.00 45.53 C ATOM 1552 H VAL B 78 -32.820 5.986 26.331 1.00 0.00 H ATOM 1553 N LYS B 79 -32.265 4.717 23.560 1.00 35.35 N ATOM 1554 CA LYS B 79 -31.670 4.516 22.239 1.00 39.12 C ATOM 1555 C LYS B 79 -30.426 5.368 22.135 1.00 40.53 C ATOM 1556 O LYS B 79 -30.358 6.478 22.705 1.00 29.98 O ATOM 1557 CB LYS B 79 -32.671 4.890 21.138 1.00 41.62 C ATOM 1558 CG LYS B 79 -32.125 5.048 19.726 1.00 44.97 C ATOM 1559 CD LYS B 79 -33.156 5.731 18.866 1.00 52.79 C ATOM 1560 CE LYS B 79 -34.283 4.802 18.444 1.00 64.42 C ATOM 1561 NZ LYS B 79 -34.907 5.307 17.163 1.00 70.90 N ATOM 1562 HZ1 LYS B 79 -35.287 6.263 17.317 1.00 0.00 H ATOM 1563 HZ2 LYS B 79 -34.185 5.336 16.415 1.00 0.00 H ATOM 1564 HZ3 LYS B 79 -35.677 4.668 16.879 1.00 0.00 H ATOM 1565 H LYS B 79 -32.015 5.575 24.092 1.00 0.00 H ATOM 1566 N VAL B 80 -29.445 4.854 21.411 1.00 35.28 N ATOM 1567 CA VAL B 80 -28.201 5.580 21.162 1.00 36.69 C ATOM 1568 C VAL B 80 -28.056 5.746 19.648 1.00 43.97 C ATOM 1569 O VAL B 80 -28.229 4.785 18.906 1.00 43.21 O ATOM 1570 CB VAL B 80 -26.983 4.830 21.714 1.00 42.35 C ATOM 1571 CG1 VAL B 80 -25.736 5.702 21.599 1.00 42.90 C ATOM 1572 CG2 VAL B 80 -27.283 4.353 23.171 1.00 38.94 C ATOM 1573 H VAL B 80 -29.563 3.903 21.006 1.00 0.00 H ATOM 1574 N GLN B 81 -27.770 6.944 19.183 1.00 34.25 N ATOM 1575 CA GLN B 81 -27.492 7.064 17.739 1.00 49.47 C ATOM 1576 C GLN B 81 -26.177 7.803 17.614 1.00 45.54 C ATOM 1577 O GLN B 81 -25.819 8.593 18.485 1.00 42.21 O ATOM 1578 CB GLN B 81 -28.579 7.804 16.945 1.00 49.05 C ATOM 1579 CG GLN B 81 -29.976 7.174 16.927 1.00 56.21 C ATOM 1580 CD GLN B 81 -31.075 8.253 16.798 1.00 60.85 C ATOM 1581 OE1 GLN B 81 -31.244 9.098 17.696 1.00 57.04 O ATOM 1582 NE2 GLN B 81 -31.806 8.238 15.683 1.00 64.37 N ATOM 1583 HE22 GLN B 81 -31.632 7.514 14.957 1.00 0.00 H ATOM 1584 HE21 GLN B 81 -32.550 8.950 15.539 1.00 0.00 H ATOM 1585 H GLN B 81 -27.741 7.774 19.809 1.00 0.00 H ATOM 1586 N ARG B 82 -25.396 7.474 16.636 1.00 35.19 N ATOM 1587 CA ARG B 82 -24.114 8.150 16.585 1.00 39.48 C ATOM 1588 C ARG B 82 -23.878 8.658 15.171 1.00 47.47 C ATOM 1589 O ARG B 82 -24.187 7.955 14.218 1.00 44.82 O ATOM 1590 CB ARG B 82 -23.065 7.200 17.102 1.00 40.64 C ATOM 1591 CG ARG B 82 -21.670 7.370 16.705 1.00 48.16 C ATOM 1592 CD ARG B 82 -21.287 5.982 16.184 1.00 56.91 C ATOM 1593 NE ARG B 82 -20.152 5.263 16.758 1.00 62.05 N ATOM 1594 CZ ARG B 82 -18.914 5.726 16.865 1.00 63.94 C ATOM 1595 NH1 ARG B 82 -17.968 4.932 17.332 1.00 56.93 N ATOM 1596 NH2 ARG B 82 -18.619 6.982 16.515 1.00 72.47 N ATOM 1597 HE ARG B 82 -20.331 4.303 17.114 1.00 0.00 H ATOM 1598 HH12 ARG B 82 -16.993 5.282 17.421 1.00 0.00 H ATOM 1599 HH11 ARG B 82 -18.198 3.957 17.611 1.00 0.00 H ATOM 1600 HH22 ARG B 82 -17.643 7.331 16.604 1.00 0.00 H ATOM 1601 HH21 ARG B 82 -19.365 7.610 16.153 1.00 0.00 H ATOM 1602 H ARG B 82 -25.672 6.765 15.927 1.00 0.00 H ATOM 1603 N ASN B 83 -23.425 9.912 15.039 1.00 36.07 N ATOM 1604 CA ASN B 83 -22.999 10.514 13.747 1.00 42.03 C ATOM 1605 C ASN B 83 -24.177 10.800 12.838 1.00 39.36 C ATOM 1606 O ASN B 83 -24.026 10.838 11.598 1.00 43.89 O ATOM 1607 CB ASN B 83 -21.974 9.612 13.030 1.00 43.08 C ATOM 1608 CG ASN B 83 -20.826 10.374 12.378 1.00 50.59 C ATOM 1609 OD1 ASN B 83 -21.025 11.433 11.791 1.00 59.91 O ATOM 1610 ND2 ASN B 83 -19.625 9.819 12.448 1.00 47.02 N ATOM 1611 HD22 ASN B 83 -19.496 8.920 12.955 1.00 0.00 H ATOM 1612 HD21 ASN B 83 -18.811 10.282 11.996 1.00 0.00 H ATOM 1613 H ASN B 83 -23.368 10.502 15.894 1.00 0.00 H ATOM 1614 N GLN B 84 -25.367 10.941 13.396 1.00 37.74 N ATOM 1615 CA GLN B 84 -26.566 11.219 12.633 1.00 51.46 C ATOM 1616 C GLN B 84 -27.010 12.676 12.733 1.00 50.90 C ATOM 1617 O GLN B 84 -28.027 13.045 12.147 1.00 57.33 O ATOM 1618 CB GLN B 84 -27.692 10.292 13.065 1.00 49.83 C ATOM 1619 CG GLN B 84 -27.399 8.832 12.710 1.00 56.57 C ATOM 1620 CD GLN B 84 -28.566 7.901 12.957 1.00 63.27 C ATOM 1621 OE1 GLN B 84 -29.732 8.263 12.761 1.00 68.31 O ATOM 1622 NE2 GLN B 84 -28.256 6.683 13.394 1.00 63.37 N ATOM 1623 HE22 GLN B 84 -27.261 6.422 13.545 1.00 0.00 H ATOM 1624 HE21 GLN B 84 -29.009 5.992 13.585 1.00 0.00 H ATOM 1625 H GLN B 84 -25.446 10.848 14.429 1.00 0.00 H ATOM 1626 N SER B 85 -26.291 13.505 13.462 1.00 44.27 N ATOM 1627 CA SER B 85 -26.540 14.933 13.495 1.00 41.53 C ATOM 1628 C SER B 85 -25.231 15.599 13.119 1.00 40.07 C ATOM 1629 O SER B 85 -24.164 15.182 13.594 1.00 40.73 O ATOM 1630 CB SER B 85 -27.019 15.371 14.901 1.00 50.58 C ATOM 1631 OG SER B 85 -28.387 15.048 15.062 1.00 52.11 O ATOM 1632 HG SER B 85 -28.919 15.518 14.372 1.00 0.00 H ATOM 1633 H SER B 85 -25.514 13.120 14.036 1.00 0.00 H ATOM 1634 N ASP B 86 -25.298 16.566 12.227 1.00 45.43 N ATOM 1635 CA ASP B 86 -24.106 17.280 11.808 1.00 45.80 C ATOM 1636 C ASP B 86 -23.528 17.977 13.036 1.00 43.12 C ATOM 1637 O ASP B 86 -24.289 18.547 13.803 1.00 47.82 O ATOM 1638 CB ASP B 86 -24.531 18.255 10.703 1.00 55.07 C ATOM 1639 CG ASP B 86 -23.421 19.124 10.193 1.00 68.35 C ATOM 1640 OD1 ASP B 86 -23.695 19.815 9.177 1.00 75.55 O ATOM 1641 OD2 ASP B 86 -22.317 19.154 10.773 1.00 66.78 O ATOM 1642 H ASP B 86 -26.219 16.822 11.817 1.00 0.00 H ATOM 1643 N PRO B 87 -22.219 17.863 13.316 1.00 45.28 N ATOM 1644 CA PRO B 87 -21.673 18.461 14.565 1.00 44.17 C ATOM 1645 C PRO B 87 -21.743 19.982 14.600 1.00 49.41 C ATOM 1646 O PRO B 87 -21.622 20.586 15.703 1.00 50.25 O ATOM 1647 CB PRO B 87 -20.202 18.011 14.586 1.00 46.46 C ATOM 1648 CG PRO B 87 -20.119 16.877 13.557 1.00 51.11 C ATOM 1649 CD PRO B 87 -21.184 17.168 12.533 1.00 49.17 C ATOM 1650 N THR B 88 -21.926 20.611 13.442 1.00 49.76 N ATOM 1651 CA THR B 88 -22.054 22.067 13.435 1.00 53.47 C ATOM 1652 C THR B 88 -23.304 22.595 14.147 1.00 45.69 C ATOM 1653 O THR B 88 -23.406 23.805 14.309 1.00 44.67 O ATOM 1654 CB THR B 88 -22.084 22.600 12.017 1.00 57.28 C ATOM 1655 OG1 THR B 88 -23.340 22.250 11.420 1.00 62.94 O ATOM 1656 CG2 THR B 88 -20.961 22.020 11.238 1.00 53.74 C ATOM 1657 HG1 THR B 88 -23.437 21.265 11.411 1.00 0.00 H ATOM 1658 H THR B 88 -21.977 20.074 12.553 1.00 0.00 H ATOM 1659 N MET B 89 -24.290 21.757 14.477 1.00 49.69 N ATOM 1660 CA MET B 89 -25.448 22.252 15.222 1.00 48.58 C ATOM 1661 C MET B 89 -25.001 23.086 16.428 1.00 46.56 C ATOM 1662 O MET B 89 -25.578 24.134 16.715 1.00 44.79 O ATOM 1663 CB MET B 89 -26.349 21.098 15.657 1.00 36.97 C ATOM 1664 CG MET B 89 -25.755 20.186 16.675 1.00 48.27 C ATOM 1665 SD MET B 89 -26.933 18.892 17.248 1.00 51.36 S ATOM 1666 CE MET B 89 -27.892 19.827 18.470 1.00 41.89 C ATOM 1667 H MET B 89 -24.235 20.755 14.205 1.00 0.00 H ATOM 1668 N PHE B 90 -23.890 22.694 17.047 1.00 45.83 N ATOM 1669 CA PHE B 90 -23.353 23.373 18.195 1.00 38.88 C ATOM 1670 C PHE B 90 -22.700 24.709 17.831 1.00 48.87 C ATOM 1671 O PHE B 90 -22.758 25.652 18.634 1.00 46.73 O ATOM 1672 CB PHE B 90 -22.383 22.442 18.928 1.00 41.72 C ATOM 1673 CG PHE B 90 -23.094 21.440 19.845 1.00 35.33 C ATOM 1674 CD1 PHE B 90 -23.664 21.876 21.029 1.00 42.58 C ATOM 1675 CD2 PHE B 90 -23.311 20.121 19.436 1.00 34.90 C ATOM 1676 CE1 PHE B 90 -24.367 20.991 21.863 1.00 36.31 C ATOM 1677 CE2 PHE B 90 -24.027 19.223 20.263 1.00 36.38 C ATOM 1678 CZ PHE B 90 -24.521 19.628 21.461 1.00 34.09 C ATOM 1679 H PHE B 90 -23.388 21.859 16.684 1.00 0.00 H ATOM 1680 N ASN B 91 -22.091 24.822 16.645 1.00 48.88 N ATOM 1681 CA ASN B 91 -21.631 26.133 16.178 1.00 49.21 C ATOM 1682 C ASN B 91 -22.809 27.039 15.878 1.00 45.07 C ATOM 1683 O ASN B 91 -22.763 28.241 16.174 1.00 46.73 O ATOM 1684 CB ASN B 91 -20.709 25.988 14.953 1.00 50.83 C ATOM 1685 CG ASN B 91 -19.502 25.141 15.277 1.00 62.32 C ATOM 1686 OD1 ASN B 91 -19.408 23.967 14.861 1.00 66.19 O ATOM 1687 ND2 ASN B 91 -18.629 25.674 16.132 1.00 61.57 N ATOM 1688 HD22 ASN B 91 -18.748 26.657 16.451 1.00 0.00 H ATOM 1689 HD21 ASN B 91 -17.829 25.107 16.480 1.00 0.00 H ATOM 1690 H ASN B 91 -21.944 23.979 16.054 1.00 0.00 H ATOM 1691 N LYS B 92 -23.894 26.482 15.346 1.00 44.00 N ATOM 1692 CA LYS B 92 -25.047 27.313 15.029 1.00 44.95 C ATOM 1693 C LYS B 92 -25.666 27.867 16.295 1.00 46.22 C ATOM 1694 O LYS B 92 -26.079 29.011 16.343 1.00 45.10 O ATOM 1695 CB LYS B 92 -26.080 26.524 14.255 1.00 44.42 C ATOM 1696 CG LYS B 92 -25.541 26.163 12.781 1.00 46.96 C ATOM 1697 CD LYS B 92 -26.582 25.382 12.045 1.00 56.51 C ATOM 1698 CE LYS B 92 -26.042 24.895 10.712 1.00 65.79 C ATOM 1699 NZ LYS B 92 -27.161 24.285 9.927 1.00 68.80 N ATOM 1700 HZ1 LYS B 92 -27.560 23.485 10.458 1.00 0.00 H ATOM 1701 HZ2 LYS B 92 -27.900 24.999 9.767 1.00 0.00 H ATOM 1702 HZ3 LYS B 92 -26.798 23.949 9.012 1.00 0.00 H ATOM 1703 H LYS B 92 -23.918 25.459 15.158 1.00 0.00 H ATOM 1704 N ILE B 93 -25.833 27.011 17.289 1.00 50.15 N ATOM 1705 CA ILE B 93 -26.387 27.468 18.546 1.00 47.14 C ATOM 1706 C ILE B 93 -25.486 28.529 19.134 1.00 40.87 C ATOM 1707 O ILE B 93 -25.953 29.561 19.560 1.00 41.97 O ATOM 1708 CB ILE B 93 -26.578 26.263 19.496 1.00 42.93 C ATOM 1709 CG1 ILE B 93 -27.603 25.305 18.922 1.00 34.95 C ATOM 1710 CG2 ILE B 93 -27.029 26.750 20.877 1.00 41.99 C ATOM 1711 CD1 ILE B 93 -27.655 24.013 19.578 1.00 40.50 C ATOM 1712 H ILE B 93 -25.567 26.013 17.168 1.00 0.00 H ATOM 1713 N ALA B 94 -24.177 28.316 19.081 1.00 43.73 N ATOM 1714 CA ALA B 94 -23.215 29.164 19.768 1.00 46.08 C ATOM 1715 C ALA B 94 -23.205 30.586 19.246 1.00 62.28 C ATOM 1716 O ALA B 94 -22.869 31.514 19.991 1.00 68.00 O ATOM 1717 CB ALA B 94 -21.817 28.566 19.630 1.00 49.33 C ATOM 1718 H ALA B 94 -23.825 27.510 18.526 1.00 0.00 H ATOM 1719 N VAL B 95 -23.529 30.801 17.970 1.00 63.77 N ATOM 1720 CA VAL B 95 -23.492 32.164 17.486 1.00 65.73 C ATOM 1721 C VAL B 95 -24.482 33.044 18.232 1.00 68.71 C ATOM 1722 O VAL B 95 -24.505 34.249 18.023 1.00 71.43 O ATOM 1723 CB VAL B 95 -23.745 32.222 15.969 1.00 69.88 C ATOM 1724 CG1 VAL B 95 -22.789 31.311 15.252 1.00 68.70 C ATOM 1725 CG2 VAL B 95 -25.131 31.817 15.665 1.00 69.55 C ATOM 1726 H VAL B 95 -23.799 30.015 17.344 1.00 0.00 H ATOM 1727 N PHE B 96 -25.281 32.475 19.122 1.00 66.60 N ATOM 1728 CA PHE B 96 -26.248 33.260 19.869 1.00 70.12 C ATOM 1729 C PHE B 96 -26.050 33.200 21.382 1.00 82.04 C ATOM 1730 O PHE B 96 -27.037 33.337 22.102 1.00 86.84 O ATOM 1731 CB PHE B 96 -27.670 32.808 19.559 1.00 55.77 C ATOM 1732 CG PHE B 96 -27.946 32.614 18.138 1.00 53.96 C ATOM 1733 CD1 PHE B 96 -28.233 33.707 17.328 1.00 54.60 C ATOM 1734 CD2 PHE B 96 -27.963 31.337 17.591 1.00 54.76 C ATOM 1735 CE1 PHE B 96 -28.527 33.527 16.018 1.00 63.18 C ATOM 1736 CE2 PHE B 96 -28.251 31.160 16.277 1.00 53.63 C ATOM 1737 CZ PHE B 96 -28.535 32.232 15.498 1.00 62.26 C ATOM 1738 H PHE B 96 -25.215 31.451 19.288 1.00 0.00 H ATOM 1739 N PHE B 97 -24.832 32.982 21.912 1.00 87.69 N ATOM 1740 CA PHE B 97 -24.750 32.826 23.372 1.00 89.60 C ATOM 1741 C PHE B 97 -23.480 33.346 24.055 1.00109.88 C ATOM 1742 O PHE B 97 -22.355 33.060 23.627 1.00110.42 O ATOM 1743 CB PHE B 97 -24.993 31.364 23.749 1.00 67.89 C ATOM 1744 CG PHE B 97 -26.433 31.007 23.664 1.00 63.42 C ATOM 1745 CD1 PHE B 97 -27.307 31.409 24.659 1.00 65.92 C ATOM 1746 CD2 PHE B 97 -26.938 30.341 22.558 1.00 62.86 C ATOM 1747 CE1 PHE B 97 -28.643 31.134 24.565 1.00 66.98 C ATOM 1748 CE2 PHE B 97 -28.273 30.076 22.443 1.00 61.92 C ATOM 1749 CZ PHE B 97 -29.130 30.468 23.439 1.00 67.02 C ATOM 1750 H PHE B 97 -23.983 32.926 21.313 1.00 0.00 H ATOM 1751 N GLN B 98 -23.709 34.135 25.123 1.00121.87 N ATOM 1752 CA GLN B 98 -22.765 34.481 26.204 1.00128.21 C ATOM 1753 C GLN B 98 -23.501 34.359 27.558 1.00130.63 C ATOM 1754 O GLN B 98 -22.908 34.290 28.640 1.00132.32 O ATOM 1755 CB GLN B 98 -22.198 35.904 26.039 1.00131.77 C ATOM 1756 CG GLN B 98 -21.282 36.390 27.196 1.00132.52 C ATOM 1757 CD GLN B 98 -22.030 37.058 28.369 1.00130.15 C ATOM 1758 OE1 GLN B 98 -22.988 37.809 28.176 1.00129.34 O ATOM 1759 NE2 GLN B 98 -21.583 36.773 29.590 1.00128.23 N ATOM 1760 OXT GLN B 98 -24.735 34.342 27.622 1.00129.86 O ATOM 1761 HE22 GLN B 98 -20.771 36.134 29.711 1.00 0.00 H ATOM 1762 HE21 GLN B 98 -22.046 37.189 30.423 1.00 0.00 H ATOM 1763 H GLN B 98 -24.661 34.548 25.194 1.00 0.00 H TER 1764 GLN B 98 HETATM 1765 O HOH 1 -33.013 38.402 35.061 1.00 18.93 O HETATM 1766 O HOH 2 -16.564 27.542 42.880 1.00 46.51 O HETATM 1767 O HOH 3 -25.786 16.303 48.043 1.00 51.70 O HETATM 1768 O HOH 4 -25.816 35.809 30.879 1.00 49.50 O HETATM 1769 O HOH 5 -38.032 26.775 28.018 1.00 36.58 O HETATM 1770 O HOH 6 -16.777 14.342 31.076 1.00 40.98 O HETATM 1771 O HOH 7 -37.036 20.677 37.331 1.00 38.49 O HETATM 1772 O HOH 8 -35.022 16.797 30.495 1.00 31.34 O HETATM 1773 O HOH 9 -21.969 32.013 34.799 1.00 35.27 O HETATM 1774 O HOH 10 -29.364 34.118 26.841 1.00 45.71 O HETATM 1775 O HOH 11 -13.155 25.707 27.025 1.00 52.43 O HETATM 1776 O HOH 12 -18.772 14.719 33.210 1.00 38.26 O HETATM 1777 O HOH 13 -31.801 11.040 41.543 1.00 38.44 O HETATM 1778 O HOH 14 -28.074 31.059 46.793 1.00 51.40 O HETATM 1779 O HOH 15 -35.478 32.135 33.207 1.00 32.43 O HETATM 1780 O HOH 16 -28.915 32.635 34.044 1.00 28.83 O HETATM 1781 O HOH 17 -18.970 34.046 32.387 1.00 58.45 O HETATM 1782 O HOH 18 -27.059 18.599 51.074 1.00 41.75 O HETATM 1783 O HOH 19 -16.821 11.146 39.614 1.00 67.07 O HETATM 1784 O HOH 20 -27.710 28.992 51.557 1.00 48.98 O HETATM 1785 O HOH 21 -38.704 23.273 26.059 1.00 59.91 O HETATM 1786 O HOH 22 -26.923 33.685 28.243 1.00 42.03 O HETATM 1787 O HOH 23 -30.491 0.509 36.492 1.00 32.23 O HETATM 1788 O HOH 24 -31.764 8.590 20.023 1.00 30.17 O HETATM 1789 O HOH 25 -14.357 14.614 23.728 1.00 47.27 O HETATM 1790 O HOH 26 -29.573 -2.930 30.274 1.00 29.81 O HETATM 1791 O HOH 27 -28.753 13.895 36.794 1.00 32.09 O HETATM 1792 O HOH 28 -36.890 -0.139 33.564 1.00 54.88 O HETATM 1793 O HOH 29 -25.550 -6.901 31.432 1.00 41.80 O HETATM 1794 O HOH 30 -21.915 13.707 14.267 1.00 37.70 O HETATM 1795 O HOH 31 -40.152 14.528 28.874 1.00 50.98 O HETATM 1796 O HOH 32 -26.478 11.562 15.918 1.00 45.84 O HETATM 1797 O HOH 33 -29.514 2.009 21.270 1.00 42.43 O HETATM 1798 O HOH 34 -31.265 15.137 38.183 1.00 26.18 O HETATM 1799 O HOH 35 -28.408 1.522 34.404 1.00 32.97 O HETATM 1800 O HOH 36 -29.725 4.224 33.621 1.00 39.15 O HETATM 1801 O HOH 37 -36.459 8.483 19.963 1.00 58.78 O HETATM 1802 O HOH 38 -30.638 17.184 15.336 1.00 50.20 O HETATM 1803 O HOH 39 -26.623 20.146 8.002 1.00 55.51 O HETATM 1804 O HOH 40 -18.445 35.848 30.537 1.00 61.32 O HETATM 1805 O HOH 41 -18.729 24.895 19.482 1.00 59.15 O HETATM 1806 O HOH 42 -34.763 10.149 14.878 1.00 59.46 O HETATM 1807 O HOH 43 -21.237 29.435 12.316 1.00 62.51 O HETATM 1808 N VAL A 44 -16.576 19.171 29.721 1.00 0.23 N HETATM 1809 CA VAL A 44 -17.238 19.030 31.022 1.00 0.03 C HETATM 1810 C VAL A 44 -17.513 17.547 31.310 1.00 0.08 C HETATM 1811 O VAL A 44 -17.205 16.702 30.438 1.00 -0.56 O HETATM 1812 OXT VAL A 44 -18.057 17.180 32.375 1.00 -0.56 O HETATM 1813 CB VAL A 44 -18.534 19.849 31.072 1.00 0.01 C HETATM 1814 CG1 VAL A 44 -18.237 21.358 30.830 1.00 -0.06 C HETATM 1815 H6 VAL A 44 -19.177 21.928 30.870 1.00 0.02 H HETATM 1816 H7 VAL A 44 -17.772 21.486 29.841 1.00 0.02 H HETATM 1817 H8 VAL A 44 -17.552 21.726 31.608 1.00 0.02 H HETATM 1818 CG2 VAL A 44 -19.537 19.335 30.050 1.00 -0.06 C HETATM 1819 H9 VAL A 44 -19.735 18.269 30.235 1.00 0.02 H HETATM 1820 H10 VAL A 44 -19.126 19.461 29.038 1.00 0.02 H HETATM 1821 H11 VAL A 44 -20.475 19.903 30.139 1.00 0.02 H HETATM 1822 H5 VAL A 44 -18.974 19.739 32.074 1.00 0.04 H HETATM 1823 H4 VAL A 44 -16.560 19.414 31.799 1.00 0.10 H HETATM 1824 H1 VAL A 44 -15.729 18.625 29.714 1.00 0.20 H HETATM 1825 H2 VAL A 44 -16.352 20.141 29.561 1.00 0.20 H HETATM 1826 H3 VAL A 44 -17.192 18.845 28.993 1.00 0.20 H CONECT 1 2 11 12 13 CONECT 11 1 CONECT 12 1 CONECT 13 1 CONECT 893 894 901 902 903 CONECT 901 893 CONECT 902 893 CONECT 903 893 CONECT 1808 1809 1824 1825 1826 CONECT 1809 1808 1810 1813 1823 CONECT 1810 1809 1811 1812 CONECT 1811 1810 CONECT 1812 1810 CONECT 1813 1809 1814 1818 1822 CONECT 1814 1813 1815 1816 1817 CONECT 1815 1814 CONECT 1816 1814 CONECT 1817 1814 CONECT 1818 1813 1819 1820 1821 CONECT 1819 1818 CONECT 1820 1818 CONECT 1821 1818 CONECT 1822 1813 CONECT 1823 1809 CONECT 1824 1808 CONECT 1825 1808 CONECT 1826 1808 MASTER 0 0 0 0 0 0 0 0 1824 2 27 14 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 5ypy
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5yum
RCSB PDB
PDBbind
98aa, >5YUM_1|Chain... at 100%
5ypw
RCSB PDB
PDBbind
98aa, >5YPW_1|Chains... at 100%
5ypp
RCSB PDB
PDBbind
98aa, >5YPP_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1t4s
RCSB PDB
PDBbind
VAL
5ypw
RCSB PDB
PDBbind
VAL
5ypp
RCSB PDB
PDBbind
VAL
Entry Information
PDB ID
5ypy
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Acetolactate synthase isozyme 1 small subunit
Ligand Name
VAL
EC.Number
E.C.2.2.1.6
Resolution
1.97(Å)
Affinity (Kd/Ki/IC50)
Kd=23uM
Release Year
2018
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Biochemistry Vol. 58: pp. 1992-2008
Ligand Properties
Formula
C
5
H
1
2
NO
2
Molecular Weight
118.154
Exact Mass
118.087
No. of atoms
20
No. of bonds
19
Polar Surface Area
64.94
LOGP Value
-1.15 (
Computed with XLOGP3
)
-0.66 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 2
No. of Rotatable Bonds: 1
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 0
Canonical SMILES
[NH3+][C@H](C(=O)O)C(C)C
InChI String
InChI=1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/p+1/t4-/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):
P0ADF8
Entrez Gene ID
NCBI Entrez Gene ID:
56816289
61752823
948183
ASD
Information of known allosteric effects of PDB entries
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times since Nov 2007.
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