Browse entries in the PDBbind-CN Database
HEADER 5KLZ_COMPLEX COMPND 5KLZ_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 113 GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG LYS GLU SEQRES 2 A 113 ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG CYS LEU SEQRES 3 A 113 ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR HIS PHE SEQRES 4 A 113 LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SER VAL SEQRES 5 A 113 ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS LEU MET SEQRES 6 A 113 ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY LEU ASN SEQRES 7 A 113 LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER ASP GLY SEQRES 8 A 113 GLY GLN SER VAL TYR HIS VAL HIS LEU HIS VAL LEU GLY SEQRES 9 A 113 GLY ARG GLN MET HIS TRP PRO PRO GLY SEQRES 1 B 115 ARG PRO GLY GLY ASP THR ILE PHE GLY LYS ILE ILE ARG SEQRES 2 B 115 LYS GLU ILE PRO ALA LYS ILE ILE PHE GLU ASP ASP ARG SEQRES 3 B 115 CYS LEU ALA PHE HIS ASP ILE SER PRO GLN ALA PRO THR SEQRES 4 B 115 HIS PHE LEU VAL ILE PRO LYS LYS HIS ILE SER GLN ILE SEQRES 5 B 115 SER VAL ALA GLU ASP ASP ASP GLU SER LEU LEU GLY HIS SEQRES 6 B 115 LEU MET ILE VAL GLY LYS LYS CYS ALA ALA ASP LEU GLY SEQRES 7 B 115 LEU ASN LYS GLY TYR ARG MET VAL VAL ASN GLU GLY SER SEQRES 8 B 115 ASP GLY GLY GLN SER VAL TYR HIS VAL HIS LEU HIS VAL SEQRES 9 B 115 LEU GLY GLY ARG GLN MET HIS TRP PRO PRO GLY HET AMP A 465 35 ATOM 1 N GLY A 14 32.044 64.952 43.279 1.00 36.50 N ATOM 2 CA GLY A 14 32.053 64.337 44.596 1.00 33.66 C ATOM 3 C GLY A 14 33.435 64.143 45.192 1.00 32.75 C ATOM 4 O GLY A 14 33.926 63.019 45.282 1.00 38.06 O ATOM 5 HN3 GLY A 14 32.579 64.356 42.616 1.00 0.00 H ATOM 6 HN2 GLY A 14 32.485 65.892 43.334 1.00 0.00 H ATOM 7 HN1 GLY A 14 31.062 65.046 42.949 1.00 0.00 H ATOM 8 N GLY A 15 34.068 65.242 45.595 1.00 31.78 N ATOM 9 CA GLY A 15 35.366 65.167 46.236 1.00 33.14 C ATOM 10 C GLY A 15 36.485 65.934 45.559 1.00 32.67 C ATOM 11 O GLY A 15 36.376 66.341 44.396 1.00 27.44 O ATOM 12 H GLY A 15 33.624 66.171 45.448 1.00 0.00 H ATOM 13 N ASP A 16 37.572 66.129 46.300 1.00 31.68 N ATOM 14 CA ASP A 16 38.779 66.816 45.840 1.00 25.99 C ATOM 15 C ASP A 16 39.881 65.823 45.480 1.00 28.67 C ATOM 16 O ASP A 16 41.030 65.946 45.914 1.00 24.80 O ATOM 17 CB ASP A 16 39.263 67.793 46.908 1.00 24.21 C ATOM 18 CG ASP A 16 39.321 67.170 48.291 1.00 39.89 C ATOM 19 OD1 ASP A 16 39.049 65.957 48.418 1.00 38.94 O ATOM 20 OD2 ASP A 16 39.647 67.899 49.256 1.00 45.79 O ATOM 21 H ASP A 16 37.563 65.768 47.275 1.00 0.00 H ATOM 22 N THR A 17 39.536 64.800 44.706 1.00 13.00 N ATOM 23 CA THR A 17 40.523 63.917 44.098 1.00 11.20 C ATOM 24 C THR A 17 40.210 63.783 42.618 1.00 12.91 C ATOM 25 O THR A 17 39.167 64.235 42.133 1.00 12.17 O ATOM 26 CB THR A 17 40.539 62.510 44.718 1.00 11.16 C ATOM 27 OG1 THR A 17 39.381 61.786 44.283 1.00 10.30 O ATOM 28 CG2 THR A 17 40.559 62.573 46.244 1.00 12.81 C ATOM 29 HG1 THR A 17 38.565 62.266 44.572 1.00 0.00 H ATOM 30 H THR A 17 38.527 64.623 44.528 1.00 0.00 H ATOM 31 N ILE A 18 41.118 63.118 41.901 1.00 8.62 N ATOM 32 CA ILE A 18 40.896 62.847 40.486 1.00 9.29 C ATOM 33 C ILE A 18 39.630 62.016 40.274 1.00 10.15 C ATOM 34 O ILE A 18 38.994 62.110 39.216 1.00 9.99 O ATOM 35 CB ILE A 18 42.147 62.181 39.871 1.00 10.93 C ATOM 36 CG1 ILE A 18 42.049 62.173 38.343 1.00 10.38 C ATOM 37 CG2 ILE A 18 42.347 60.775 40.408 1.00 10.59 C ATOM 38 CD1 ILE A 18 43.397 62.045 37.648 1.00 12.76 C ATOM 39 H ILE A 18 41.993 62.790 42.357 1.00 0.00 H ATOM 40 N PHE A 19 39.235 61.200 41.258 1.00 8.82 N ATOM 41 CA PHE A 19 38.006 60.430 41.088 1.00 9.09 C ATOM 42 C PHE A 19 36.787 61.339 41.145 1.00 10.13 C ATOM 43 O PHE A 19 35.781 61.065 40.465 1.00 8.69 O ATOM 44 CB PHE A 19 37.913 59.315 42.138 1.00 9.76 C ATOM 45 CG PHE A 19 38.858 58.160 41.887 1.00 8.84 C ATOM 46 CD1 PHE A 19 39.621 58.090 40.730 1.00 8.31 C ATOM 47 CD2 PHE A 19 38.969 57.134 42.824 1.00 10.02 C ATOM 48 CE1 PHE A 19 40.493 57.016 40.503 1.00 8.29 C ATOM 49 CE2 PHE A 19 39.836 56.059 42.607 1.00 9.97 C ATOM 50 CZ PHE A 19 40.610 56.008 41.450 1.00 9.50 C ATOM 51 H PHE A 19 39.795 61.115 42.130 1.00 0.00 H ATOM 52 N GLY A 20 36.877 62.440 41.898 1.00 9.23 N ATOM 53 CA GLY A 20 35.832 63.454 41.840 1.00 9.22 C ATOM 54 C GLY A 20 35.694 64.055 40.455 1.00 9.62 C ATOM 55 O GLY A 20 34.577 64.242 39.958 1.00 10.97 O ATOM 56 H GLY A 20 37.695 62.573 42.527 1.00 0.00 H ATOM 57 N LYS A 21 36.825 64.363 39.809 1.00 10.34 N ATOM 58 CA LYS A 21 36.784 64.888 38.447 1.00 10.02 C ATOM 59 C LYS A 21 36.154 63.890 37.481 1.00 11.57 C ATOM 60 O LYS A 21 35.434 64.280 36.554 1.00 11.11 O ATOM 61 CB LYS A 21 38.192 65.257 37.986 1.00 11.14 C ATOM 62 CG LYS A 21 38.866 66.294 38.862 1.00 14.22 C ATOM 63 CD LYS A 21 40.182 66.738 38.249 1.00 15.21 C ATOM 64 CE LYS A 21 39.948 67.500 36.951 1.00 16.72 C ATOM 65 NZ LYS A 21 39.285 68.816 37.193 1.00 23.24 N ATOM 66 HZ1 LYS A 21 38.365 68.660 37.651 1.00 0.00 H ATOM 67 HZ2 LYS A 21 39.887 69.398 37.810 1.00 0.00 H ATOM 68 HZ3 LYS A 21 39.143 69.304 36.285 1.00 0.00 H ATOM 69 H LYS A 21 37.742 64.227 40.281 1.00 0.00 H ATOM 70 N ILE A 22 36.425 62.599 37.667 1.00 9.45 N ATOM 71 CA ILE A 22 35.834 61.581 36.799 1.00 8.34 C ATOM 72 C ILE A 22 34.324 61.514 37.012 1.00 8.90 C ATOM 73 O ILE A 22 33.550 61.460 36.048 1.00 9.29 O ATOM 74 CB ILE A 22 36.523 60.227 37.063 1.00 8.18 C ATOM 75 CG1 ILE A 22 37.978 60.282 36.566 1.00 10.74 C ATOM 76 CG2 ILE A 22 35.761 59.081 36.438 1.00 9.13 C ATOM 77 CD1 ILE A 22 38.807 59.047 36.910 1.00 12.09 C ATOM 78 H ILE A 22 37.063 62.312 38.437 1.00 0.00 H ATOM 79 N ILE A 23 33.891 61.542 38.275 1.00 8.83 N ATOM 80 CA ILE A 23 32.463 61.535 38.592 1.00 10.23 C ATOM 81 C ILE A 23 31.769 62.729 37.957 1.00 10.08 C ATOM 82 O ILE A 23 30.648 62.613 37.440 1.00 11.33 O ATOM 83 CB ILE A 23 32.264 61.517 40.117 1.00 8.37 C ATOM 84 CG1 ILE A 23 32.642 60.158 40.687 1.00 10.32 C ATOM 85 CG2 ILE A 23 30.808 61.867 40.474 1.00 11.04 C ATOM 86 CD1 ILE A 23 32.869 60.195 42.199 1.00 11.07 C ATOM 87 H ILE A 23 34.584 61.569 39.050 1.00 0.00 H ATOM 88 N ARG A 24 32.404 63.899 38.009 1.00 7.50 N ATOM 89 CA ARG A 24 31.800 65.109 37.468 1.00 7.97 C ATOM 90 C ARG A 24 31.943 65.217 35.956 1.00 9.53 C ATOM 91 O ARG A 24 31.486 66.212 35.381 1.00 9.83 O ATOM 92 CB ARG A 24 32.397 66.344 38.154 1.00 9.73 C ATOM 93 CG ARG A 24 32.101 66.384 39.668 1.00 11.97 C ATOM 94 CD ARG A 24 32.490 67.714 40.299 1.00 12.77 C ATOM 95 NE ARG A 24 33.925 67.981 40.180 1.00 13.75 N ATOM 96 CZ ARG A 24 34.836 67.587 41.064 1.00 16.06 C ATOM 97 NH1 ARG A 24 34.476 66.904 42.138 1.00 14.73 N ATOM 98 NH2 ARG A 24 36.116 67.879 40.866 1.00 18.48 N ATOM 99 HE ARG A 24 34.253 68.514 39.349 1.00 0.00 H ATOM 100 HH12 ARG A 24 35.194 66.599 42.825 1.00 0.00 H ATOM 101 HH11 ARG A 24 33.474 66.672 42.295 1.00 0.00 H ATOM 102 HH22 ARG A 24 36.832 67.573 41.555 1.00 0.00 H ATOM 103 HH21 ARG A 24 36.403 68.414 40.022 1.00 0.00 H ATOM 104 H ARG A 24 33.348 63.949 38.444 1.00 0.00 H ATOM 105 N LYS A 25 32.558 64.221 35.308 1.00 7.98 N ATOM 106 CA LYS A 25 32.781 64.168 33.860 1.00 8.07 C ATOM 107 C LYS A 25 33.706 65.284 33.371 1.00 11.75 C ATOM 108 O LYS A 25 33.675 65.647 32.186 1.00 13.15 O ATOM 109 CB LYS A 25 31.454 64.185 33.081 1.00 10.21 C ATOM 110 CG LYS A 25 30.411 63.192 33.605 1.00 11.94 C ATOM 111 CD LYS A 25 30.944 61.756 33.672 1.00 11.90 C ATOM 112 CE LYS A 25 30.009 60.837 34.476 1.00 13.65 C ATOM 113 NZ LYS A 25 28.610 60.781 33.940 1.00 15.12 N ATOM 114 HZ1 LYS A 25 28.196 61.735 33.956 1.00 0.00 H ATOM 115 HZ2 LYS A 25 28.628 60.426 32.963 1.00 0.00 H ATOM 116 HZ3 LYS A 25 28.039 60.144 34.531 1.00 0.00 H ATOM 117 H LYS A 25 32.905 63.422 35.876 1.00 0.00 H ATOM 118 N GLU A 26 34.561 65.805 34.264 1.00 9.92 N ATOM 119 CA GLU A 26 35.509 66.859 33.899 1.00 9.82 C ATOM 120 C GLU A 26 36.713 66.321 33.138 1.00 13.23 C ATOM 121 O GLU A 26 37.358 67.073 32.399 1.00 13.56 O ATOM 122 CB GLU A 26 35.979 67.605 35.149 1.00 12.46 C ATOM 123 CG GLU A 26 34.879 68.437 35.809 1.00 11.83 C ATOM 124 CD GLU A 26 35.246 68.922 37.199 1.00 16.92 C ATOM 125 OE1 GLU A 26 36.395 68.689 37.643 1.00 22.22 O ATOM 126 OE2 GLU A 26 34.389 69.546 37.857 1.00 16.20 O ATOM 127 H GLU A 26 34.550 65.451 35.242 1.00 0.00 H ATOM 128 N ILE A 27 37.048 65.049 33.325 1.00 11.70 N ATOM 129 CA ILE A 27 38.086 64.393 32.538 1.00 11.55 C ATOM 130 C ILE A 27 37.530 63.066 32.052 1.00 12.63 C ATOM 131 O ILE A 27 36.643 62.492 32.703 1.00 14.05 O ATOM 132 CB ILE A 27 39.382 64.192 33.340 1.00 10.21 C ATOM 133 CG1 ILE A 27 39.194 63.214 34.504 1.00 12.24 C ATOM 134 CG2 ILE A 27 39.917 65.522 33.818 1.00 13.76 C ATOM 135 CD1 ILE A 27 40.526 62.825 35.159 1.00 12.07 C ATOM 136 H ILE A 27 36.553 64.502 34.058 1.00 0.00 H ATOM 137 N PRO A 28 38.012 62.547 30.930 1.00 11.65 N ATOM 138 CA PRO A 28 37.476 61.288 30.413 1.00 12.47 C ATOM 139 C PRO A 28 37.943 60.088 31.220 1.00 11.06 C ATOM 140 O PRO A 28 38.984 60.109 31.884 1.00 12.26 O ATOM 141 CB PRO A 28 38.018 61.232 28.982 1.00 18.68 C ATOM 142 CG PRO A 28 39.235 62.076 29.017 1.00 20.28 C ATOM 143 CD PRO A 28 38.939 63.180 29.980 1.00 11.84 C ATOM 144 N ALA A 29 37.129 59.038 31.159 1.00 11.67 N ATOM 145 CA ALA A 29 37.419 57.752 31.761 1.00 9.89 C ATOM 146 C ALA A 29 36.718 56.685 30.935 1.00 12.34 C ATOM 147 O ALA A 29 35.774 56.971 30.190 1.00 14.01 O ATOM 148 CB ALA A 29 36.979 57.701 33.233 1.00 12.60 C ATOM 149 H ALA A 29 36.230 59.146 30.648 1.00 0.00 H ATOM 150 N LYS A 30 37.211 55.451 31.051 1.00 10.43 N ATOM 151 CA LYS A 30 36.625 54.314 30.340 1.00 10.23 C ATOM 152 C LYS A 30 35.513 53.745 31.218 1.00 9.67 C ATOM 153 O LYS A 30 35.661 52.731 31.906 1.00 9.52 O ATOM 154 CB LYS A 30 37.698 53.286 30.010 1.00 11.03 C ATOM 155 CG LYS A 30 38.801 53.833 29.106 1.00 12.16 C ATOM 156 CD LYS A 30 39.825 52.762 28.830 1.00 15.69 C ATOM 157 CE LYS A 30 40.889 53.251 27.851 1.00 20.31 C ATOM 158 NZ LYS A 30 41.827 52.144 27.542 1.00 25.23 N ATOM 159 HZ1 LYS A 30 42.285 51.824 28.419 1.00 0.00 H ATOM 160 HZ2 LYS A 30 41.301 51.354 27.116 1.00 0.00 H ATOM 161 HZ3 LYS A 30 42.551 52.480 26.875 1.00 0.00 H ATOM 162 H LYS A 30 38.036 55.292 31.664 1.00 0.00 H ATOM 163 N ILE A 31 34.367 54.427 31.172 1.00 10.84 N ATOM 164 CA ILE A 31 33.241 54.112 32.041 1.00 10.38 C ATOM 165 C ILE A 31 32.560 52.834 31.571 1.00 11.11 C ATOM 166 O ILE A 31 32.262 52.664 30.375 1.00 13.24 O ATOM 167 CB ILE A 31 32.255 55.289 32.078 1.00 11.78 C ATOM 168 CG1 ILE A 31 32.962 56.520 32.646 1.00 12.75 C ATOM 169 CG2 ILE A 31 31.015 54.924 32.901 1.00 12.34 C ATOM 170 CD1 ILE A 31 32.131 57.790 32.647 1.00 14.66 C ATOM 171 H ILE A 31 34.275 55.209 30.493 1.00 0.00 H ATOM 172 N ILE A 32 32.315 51.934 32.516 1.00 8.28 N ATOM 173 CA ILE A 32 31.651 50.661 32.274 1.00 10.36 C ATOM 174 C ILE A 32 30.172 50.732 32.616 1.00 11.73 C ATOM 175 O ILE A 32 29.333 50.200 31.885 1.00 13.94 O ATOM 176 CB ILE A 32 32.338 49.564 33.111 1.00 10.01 C ATOM 177 CG1 ILE A 32 33.821 49.468 32.777 1.00 11.14 C ATOM 178 CG2 ILE A 32 31.590 48.223 33.009 1.00 12.44 C ATOM 179 CD1 ILE A 32 34.596 48.780 33.867 1.00 12.04 C ATOM 180 H ILE A 32 32.615 52.151 33.488 1.00 0.00 H ATOM 181 N PHE A 33 29.863 51.371 33.740 1.00 9.91 N ATOM 182 CA PHE A 33 28.521 51.370 34.302 1.00 8.31 C ATOM 183 C PHE A 33 28.393 52.563 35.237 1.00 9.01 C ATOM 184 O PHE A 33 29.366 52.973 35.882 1.00 8.97 O ATOM 185 CB PHE A 33 28.235 50.059 35.043 1.00 9.99 C ATOM 186 CG PHE A 33 26.938 50.066 35.813 1.00 12.08 C ATOM 187 CD1 PHE A 33 25.746 49.771 35.174 1.00 16.11 C ATOM 188 CD2 PHE A 33 26.908 50.370 37.168 1.00 11.51 C ATOM 189 CE1 PHE A 33 24.552 49.778 35.882 1.00 13.95 C ATOM 190 CE2 PHE A 33 25.712 50.384 37.865 1.00 12.88 C ATOM 191 CZ PHE A 33 24.541 50.091 37.212 1.00 13.80 C ATOM 192 H PHE A 33 30.612 51.893 34.238 1.00 0.00 H ATOM 193 N GLU A 34 27.174 53.101 35.323 1.00 9.01 N ATOM 194 CA GLU A 34 26.891 54.194 36.237 1.00 7.76 C ATOM 195 C GLU A 34 25.475 54.025 36.763 1.00 9.49 C ATOM 196 O GLU A 34 24.605 53.547 36.030 1.00 11.01 O ATOM 197 CB GLU A 34 27.040 55.553 35.541 1.00 10.58 C ATOM 198 CG GLU A 34 26.931 56.748 36.481 1.00 10.60 C ATOM 199 CD GLU A 34 27.300 58.073 35.829 1.00 13.30 C ATOM 200 OE1 GLU A 34 27.685 58.080 34.651 1.00 16.05 O ATOM 201 OE2 GLU A 34 27.211 59.106 36.517 1.00 15.15 O ATOM 202 H GLU A 34 26.410 52.729 34.723 1.00 0.00 H ATOM 203 N ASP A 35 25.253 54.392 38.022 1.00 8.51 N ATOM 204 CA ASP A 35 23.884 54.593 38.511 1.00 7.66 C ATOM 205 C ASP A 35 23.878 55.867 39.350 1.00 9.63 C ATOM 206 O ASP A 35 24.741 56.738 39.190 1.00 10.73 O ATOM 207 CB ASP A 35 23.342 53.332 39.222 1.00 10.07 C ATOM 208 CG ASP A 35 24.112 52.944 40.469 1.00 9.76 C ATOM 209 OD1 ASP A 35 24.771 53.793 41.110 1.00 9.60 O ATOM 210 OD2 ASP A 35 24.009 51.750 40.830 1.00 10.35 O ATOM 211 H ASP A 35 26.057 54.538 38.666 1.00 0.00 H ATOM 212 N ASP A 36 22.869 56.025 40.217 1.00 8.17 N ATOM 213 CA ASP A 36 22.749 57.261 40.985 1.00 8.09 C ATOM 214 C ASP A 36 23.754 57.371 42.126 1.00 9.92 C ATOM 215 O ASP A 36 23.899 58.461 42.697 1.00 11.07 O ATOM 216 CB ASP A 36 21.323 57.430 41.543 1.00 10.00 C ATOM 217 CG ASP A 36 20.929 56.339 42.528 1.00 9.67 C ATOM 218 OD1 ASP A 36 21.557 55.258 42.522 1.00 9.53 O ATOM 219 OD2 ASP A 36 19.947 56.567 43.285 1.00 11.52 O ATOM 220 H ASP A 36 22.170 55.266 40.343 1.00 0.00 H ATOM 221 N ARG A 37 24.446 56.285 42.477 1.00 8.18 N ATOM 222 CA ARG A 37 25.270 56.289 43.674 1.00 8.18 C ATOM 223 C ARG A 37 26.655 55.703 43.474 1.00 8.71 C ATOM 224 O ARG A 37 27.424 55.657 44.443 1.00 10.37 O ATOM 225 CB ARG A 37 24.558 55.538 44.812 1.00 9.51 C ATOM 226 CG ARG A 37 24.310 54.072 44.554 1.00 8.50 C ATOM 227 CD ARG A 37 23.197 53.545 45.455 1.00 10.41 C ATOM 228 NE ARG A 37 21.908 54.138 45.100 1.00 9.25 N ATOM 229 CZ ARG A 37 20.808 54.053 45.840 1.00 10.13 C ATOM 230 NH1 ARG A 37 20.820 53.403 46.999 1.00 11.31 N ATOM 231 NH2 ARG A 37 19.693 54.621 45.406 1.00 10.25 N ATOM 232 HE ARG A 37 21.848 54.664 44.205 1.00 0.00 H ATOM 233 HH12 ARG A 37 19.953 53.343 47.570 1.00 0.00 H ATOM 234 HH11 ARG A 37 21.696 52.955 47.335 1.00 0.00 H ATOM 235 HH22 ARG A 37 18.824 54.563 45.975 1.00 0.00 H ATOM 236 HH21 ARG A 37 19.686 55.125 44.497 1.00 0.00 H ATOM 237 H ARG A 37 24.395 55.429 41.889 1.00 0.00 H ATOM 238 N CYS A 38 26.998 55.258 42.268 1.00 8.23 N ATOM 239 CA CYS A 38 28.334 54.723 42.052 1.00 8.03 C ATOM 240 C CYS A 38 28.682 54.796 40.579 1.00 7.92 C ATOM 241 O CYS A 38 27.842 55.084 39.718 1.00 8.29 O ATOM 242 CB CYS A 38 28.471 53.284 42.580 1.00 11.56 C ATOM 243 SG CYS A 38 27.661 52.012 41.604 1.00 10.07 S ATOM 244 H CYS A 38 26.315 55.292 41.484 1.00 0.00 H ATOM 245 N LEU A 39 29.954 54.522 40.306 1.00 7.74 N ATOM 246 CA LEU A 39 30.508 54.612 38.969 1.00 8.72 C ATOM 247 C LEU A 39 31.566 53.530 38.828 1.00 9.37 C ATOM 248 O LEU A 39 32.397 53.355 39.728 1.00 9.66 O ATOM 249 CB LEU A 39 31.116 56.002 38.735 1.00 10.88 C ATOM 250 CG LEU A 39 31.727 56.233 37.361 1.00 10.22 C ATOM 251 CD1 LEU A 39 30.623 56.307 36.311 1.00 13.11 C ATOM 252 CD2 LEU A 39 32.527 57.519 37.391 1.00 13.57 C ATOM 253 H LEU A 39 30.579 54.231 41.085 1.00 0.00 H ATOM 254 N ALA A 40 31.523 52.799 37.719 1.00 6.85 N ATOM 255 CA ALA A 40 32.506 51.760 37.430 1.00 8.86 C ATOM 256 C ALA A 40 33.282 52.133 36.175 1.00 8.66 C ATOM 257 O ALA A 40 32.680 52.490 35.152 1.00 9.01 O ATOM 258 CB ALA A 40 31.830 50.393 37.252 1.00 9.68 C ATOM 259 H ALA A 40 30.762 52.974 37.033 1.00 0.00 H ATOM 260 N PHE A 41 34.612 52.052 36.248 1.00 7.42 N ATOM 261 CA PHE A 41 35.442 52.392 35.094 1.00 8.19 C ATOM 262 C PHE A 41 36.744 51.601 35.145 1.00 7.78 C ATOM 263 O PHE A 41 37.198 51.187 36.217 1.00 8.51 O ATOM 264 CB PHE A 41 35.732 53.903 35.033 1.00 9.84 C ATOM 265 CG PHE A 41 36.346 54.461 36.291 1.00 9.09 C ATOM 266 CD1 PHE A 41 35.538 54.863 37.341 1.00 11.08 C ATOM 267 CD2 PHE A 41 37.713 54.591 36.421 1.00 10.29 C ATOM 268 CE1 PHE A 41 36.078 55.379 38.497 1.00 11.22 C ATOM 269 CE2 PHE A 41 38.273 55.102 37.580 1.00 11.36 C ATOM 270 CZ PHE A 41 37.455 55.502 38.623 1.00 10.79 C ATOM 271 H PHE A 41 35.062 51.744 37.134 1.00 0.00 H ATOM 272 N HIS A 42 37.348 51.400 33.976 1.00 9.69 N ATOM 273 CA HIS A 42 38.592 50.641 33.917 1.00 7.95 C ATOM 274 C HIS A 42 39.739 51.415 34.552 1.00 8.26 C ATOM 275 O HIS A 42 39.822 52.643 34.452 1.00 10.39 O ATOM 276 CB HIS A 42 38.948 50.287 32.469 1.00 11.11 C ATOM 277 CG HIS A 42 37.962 49.372 31.812 1.00 10.92 C ATOM 278 ND1 HIS A 42 38.036 47.999 31.915 1.00 11.23 N ATOM 279 CD2 HIS A 42 36.861 49.637 31.069 1.00 11.06 C ATOM 280 CE1 HIS A 42 37.030 47.458 31.246 1.00 10.67 C ATOM 281 NE2 HIS A 42 36.303 48.429 30.725 1.00 11.92 N ATOM 282 H HIS A 42 36.932 51.785 33.104 1.00 0.00 H ATOM 283 N ASP A 43 40.634 50.682 35.205 1.00 8.43 N ATOM 284 CA ASP A 43 41.800 51.304 35.825 1.00 8.61 C ATOM 285 C ASP A 43 42.759 51.782 34.741 1.00 10.76 C ATOM 286 O ASP A 43 43.037 51.056 33.780 1.00 11.07 O ATOM 287 CB ASP A 43 42.495 50.305 36.751 1.00 10.23 C ATOM 288 CG ASP A 43 43.458 50.965 37.723 1.00 13.81 C ATOM 289 OD1 ASP A 43 44.434 51.586 37.273 1.00 13.85 O ATOM 290 OD2 ASP A 43 43.272 50.804 38.952 1.00 18.22 O ATOM 291 H ASP A 43 40.502 49.653 35.275 1.00 0.00 H ATOM 292 N ILE A 44 43.245 53.017 34.881 1.00 10.02 N ATOM 293 CA ILE A 44 44.144 53.573 33.876 1.00 10.05 C ATOM 294 C ILE A 44 45.517 52.912 33.906 1.00 12.34 C ATOM 295 O ILE A 44 46.282 53.048 32.941 1.00 13.89 O ATOM 296 CB ILE A 44 44.240 55.099 34.060 1.00 10.00 C ATOM 297 CG1 ILE A 44 44.794 55.770 32.798 1.00 11.91 C ATOM 298 CG2 ILE A 44 45.062 55.448 35.296 1.00 10.22 C ATOM 299 CD1 ILE A 44 44.751 57.278 32.852 1.00 14.53 C ATOM 300 H ILE A 44 42.981 53.586 35.711 1.00 0.00 H ATOM 301 N SER A 45 45.849 52.187 34.977 1.00 11.86 N ATOM 302 CA SER A 45 47.106 51.449 35.090 1.00 14.19 C ATOM 303 C SER A 45 46.775 49.989 35.380 1.00 12.05 C ATOM 304 O SER A 45 46.975 49.508 36.502 1.00 14.16 O ATOM 305 CB SER A 45 47.988 52.039 36.186 1.00 16.05 C ATOM 306 OG SER A 45 49.289 51.472 36.131 1.00 22.40 O ATOM 307 HG SER A 45 49.695 51.666 35.249 1.00 0.00 H ATOM 308 H SER A 45 45.179 52.145 35.771 1.00 0.00 H ATOM 309 N PRO A 46 46.246 49.261 34.398 1.00 10.84 N ATOM 310 CA PRO A 46 45.690 47.934 34.691 1.00 11.58 C ATOM 311 C PRO A 46 46.765 46.924 35.059 1.00 16.08 C ATOM 312 O PRO A 46 47.853 46.900 34.476 1.00 15.27 O ATOM 313 CB PRO A 46 44.980 47.546 33.390 1.00 13.45 C ATOM 314 CG PRO A 46 45.676 48.358 32.321 1.00 13.15 C ATOM 315 CD PRO A 46 46.075 49.649 32.986 1.00 12.90 C ATOM 316 N GLN A 47 46.446 46.091 36.051 1.00 9.47 N ATOM 317 CA GLN A 47 47.339 45.041 36.532 1.00 8.64 C ATOM 318 C GLN A 47 46.907 43.647 36.102 1.00 9.67 C ATOM 319 O GLN A 47 47.505 42.657 36.548 1.00 12.32 O ATOM 320 CB GLN A 47 47.433 45.094 38.058 1.00 12.36 C ATOM 321 CG GLN A 47 47.877 46.434 38.572 1.00 17.79 C ATOM 322 CD GLN A 47 49.256 46.771 38.085 1.00 19.14 C ATOM 323 OE1 GLN A 47 50.213 46.034 38.341 1.00 21.58 O ATOM 324 NE2 GLN A 47 49.373 47.869 37.347 1.00 24.55 N ATOM 325 HE22 GLN A 47 48.538 48.460 37.158 1.00 0.00 H ATOM 326 HE21 GLN A 47 50.299 48.138 36.959 1.00 0.00 H ATOM 327 H GLN A 47 45.516 46.195 36.504 1.00 0.00 H ATOM 328 N ALA A 48 45.876 43.545 35.272 1.00 11.75 N ATOM 329 CA ALA A 48 45.359 42.278 34.777 1.00 12.11 C ATOM 330 C ALA A 48 44.641 42.555 33.467 1.00 12.83 C ATOM 331 O ALA A 48 44.311 43.714 33.176 1.00 12.21 O ATOM 332 CB ALA A 48 44.402 41.628 35.791 1.00 11.86 C ATOM 333 H ALA A 48 45.411 44.421 34.958 1.00 0.00 H ATOM 334 N PRO A 49 44.379 41.523 32.654 1.00 12.16 N ATOM 335 CA PRO A 49 43.678 41.781 31.384 1.00 13.06 C ATOM 336 C PRO A 49 42.347 42.486 31.577 1.00 14.41 C ATOM 337 O PRO A 49 41.953 43.301 30.732 1.00 16.79 O ATOM 338 CB PRO A 49 43.519 40.379 30.785 1.00 14.28 C ATOM 339 CG PRO A 49 44.682 39.630 31.301 1.00 13.32 C ATOM 340 CD PRO A 49 44.880 40.137 32.729 1.00 14.60 C ATOM 341 N THR A 50 41.655 42.222 32.681 1.00 11.40 N ATOM 342 CA THR A 50 40.532 43.038 33.129 1.00 11.16 C ATOM 343 C THR A 50 40.875 43.594 34.504 1.00 9.59 C ATOM 344 O THR A 50 41.217 42.836 35.414 1.00 10.35 O ATOM 345 CB THR A 50 39.228 42.243 33.207 1.00 13.86 C ATOM 346 OG1 THR A 50 38.823 41.867 31.883 1.00 17.72 O ATOM 347 CG2 THR A 50 38.116 43.075 33.858 1.00 15.03 C ATOM 348 HG1 THR A 50 39.528 41.309 31.469 1.00 0.00 H ATOM 349 H THR A 50 41.927 41.396 33.251 1.00 0.00 H ATOM 350 N HIS A 51 40.793 44.911 34.645 1.00 8.99 N ATOM 351 CA HIS A 51 41.063 45.567 35.924 1.00 8.89 C ATOM 352 C HIS A 51 40.243 46.844 35.937 1.00 8.79 C ATOM 353 O HIS A 51 40.557 47.778 35.190 1.00 8.96 O ATOM 354 CB HIS A 51 42.553 45.874 36.091 1.00 10.71 C ATOM 355 CG HIS A 51 42.903 46.544 37.392 1.00 9.65 C ATOM 356 ND1 HIS A 51 44.196 46.896 37.715 1.00 10.47 N ATOM 357 CD2 HIS A 51 42.136 46.922 38.446 1.00 8.73 C ATOM 358 CE1 HIS A 51 44.210 47.472 38.905 1.00 9.83 C ATOM 359 NE2 HIS A 51 42.973 47.499 39.373 1.00 10.29 N ATOM 360 H HIS A 51 40.530 45.492 33.824 1.00 0.00 H ATOM 361 N PHE A 52 39.186 46.878 36.756 1.00 8.26 N ATOM 362 CA PHE A 52 38.353 48.062 36.840 1.00 6.95 C ATOM 363 C PHE A 52 38.095 48.420 38.298 1.00 8.19 C ATOM 364 O PHE A 52 38.448 47.679 39.222 1.00 9.84 O ATOM 365 CB PHE A 52 37.025 47.896 36.068 1.00 9.96 C ATOM 366 CG PHE A 52 36.104 46.825 36.596 1.00 9.29 C ATOM 367 CD1 PHE A 52 36.217 45.510 36.157 1.00 10.05 C ATOM 368 CD2 PHE A 52 35.063 47.157 37.467 1.00 9.73 C ATOM 369 CE1 PHE A 52 35.351 44.530 36.614 1.00 10.10 C ATOM 370 CE2 PHE A 52 34.186 46.179 37.938 1.00 8.83 C ATOM 371 CZ PHE A 52 34.331 44.862 37.498 1.00 10.50 C ATOM 372 H PHE A 52 38.959 46.047 37.338 1.00 0.00 H ATOM 373 N LEU A 53 37.508 49.601 38.482 1.00 9.24 N ATOM 374 CA LEU A 53 37.203 50.178 39.782 1.00 8.78 C ATOM 375 C LEU A 53 35.712 50.436 39.870 1.00 7.81 C ATOM 376 O LEU A 53 35.083 50.812 38.871 1.00 8.92 O ATOM 377 CB LEU A 53 37.930 51.503 39.995 1.00 8.60 C ATOM 378 CG LEU A 53 39.444 51.516 39.828 1.00 14.29 C ATOM 379 CD1 LEU A 53 39.958 52.927 40.060 1.00 21.64 C ATOM 380 CD2 LEU A 53 40.069 50.551 40.805 1.00 16.08 C ATOM 381 H LEU A 53 37.249 50.149 37.637 1.00 0.00 H ATOM 382 N VAL A 54 35.155 50.250 41.063 1.00 8.44 N ATOM 383 CA VAL A 54 33.808 50.704 41.389 1.00 9.39 C ATOM 384 C VAL A 54 33.945 51.683 42.542 1.00 9.32 C ATOM 385 O VAL A 54 34.508 51.330 43.586 1.00 9.45 O ATOM 386 CB VAL A 54 32.871 49.548 41.779 1.00 7.54 C ATOM 387 CG1 VAL A 54 31.437 50.074 41.928 1.00 10.04 C ATOM 388 CG2 VAL A 54 32.947 48.394 40.770 1.00 10.15 C ATOM 389 H VAL A 54 35.705 49.759 41.797 1.00 0.00 H ATOM 390 N ILE A 55 33.445 52.903 42.358 1.00 7.17 N ATOM 391 CA ILE A 55 33.586 53.936 43.382 1.00 7.32 C ATOM 392 C ILE A 55 32.227 54.521 43.742 1.00 8.15 C ATOM 393 O ILE A 55 31.344 54.650 42.880 1.00 9.44 O ATOM 394 CB ILE A 55 34.565 55.044 42.949 1.00 8.54 C ATOM 395 CG1 ILE A 55 33.962 56.001 41.923 1.00 9.70 C ATOM 396 CG2 ILE A 55 35.869 54.442 42.393 1.00 9.09 C ATOM 397 CD1 ILE A 55 34.890 57.174 41.635 1.00 10.52 C ATOM 398 H ILE A 55 32.947 53.124 41.472 1.00 0.00 H ATOM 399 N PRO A 56 32.013 54.886 44.996 1.00 6.72 N ATOM 400 CA PRO A 56 30.790 55.600 45.350 1.00 8.65 C ATOM 401 C PRO A 56 30.866 57.029 44.860 1.00 9.50 C ATOM 402 O PRO A 56 31.944 57.616 44.760 1.00 9.51 O ATOM 403 CB PRO A 56 30.786 55.548 46.878 1.00 9.88 C ATOM 404 CG PRO A 56 32.251 55.544 47.226 1.00 7.60 C ATOM 405 CD PRO A 56 32.911 54.724 46.154 1.00 8.21 C ATOM 406 N LYS A 57 29.701 57.603 44.566 1.00 9.90 N ATOM 407 CA LYS A 57 29.697 59.020 44.240 1.00 9.29 C ATOM 408 C LYS A 57 29.866 59.875 45.488 1.00 12.44 C ATOM 409 O LYS A 57 30.410 60.981 45.405 1.00 16.17 O ATOM 410 CB LYS A 57 28.424 59.376 43.484 1.00 11.31 C ATOM 411 CG LYS A 57 28.426 58.775 42.096 1.00 12.61 C ATOM 412 CD LYS A 57 27.197 59.185 41.307 1.00 11.57 C ATOM 413 CE LYS A 57 27.380 58.758 39.848 1.00 14.41 C ATOM 414 NZ LYS A 57 26.197 59.131 39.022 1.00 13.45 N ATOM 415 HZ1 LYS A 57 25.350 58.662 39.401 1.00 0.00 H ATOM 416 HZ2 LYS A 57 26.066 60.162 39.052 1.00 0.00 H ATOM 417 HZ3 LYS A 57 26.352 58.828 38.039 1.00 0.00 H ATOM 418 H LYS A 57 28.818 57.053 44.569 1.00 0.00 H ATOM 419 N LYS A 58 29.448 59.360 46.641 1.00 10.06 N ATOM 420 CA LYS A 58 29.724 60.004 47.918 1.00 11.98 C ATOM 421 C LYS A 58 31.226 59.984 48.174 1.00 11.98 C ATOM 422 O LYS A 58 31.872 58.945 48.011 1.00 14.35 O ATOM 423 CB LYS A 58 28.989 59.271 49.039 1.00 10.36 C ATOM 424 CG LYS A 58 29.197 59.859 50.430 1.00 13.35 C ATOM 425 CD LYS A 58 28.412 59.090 51.486 1.00 13.19 C ATOM 426 CE LYS A 58 28.623 59.699 52.871 1.00 20.76 C ATOM 427 NZ LYS A 58 27.826 58.999 53.921 1.00 22.24 N ATOM 428 HZ1 LYS A 58 26.814 59.065 53.689 1.00 0.00 H ATOM 429 HZ2 LYS A 58 28.109 57.999 53.960 1.00 0.00 H ATOM 430 HZ3 LYS A 58 28.001 59.447 54.843 1.00 0.00 H ATOM 431 H LYS A 58 28.908 58.471 46.630 1.00 0.00 H ATOM 432 N HIS A 59 31.789 61.127 48.567 1.00 13.92 N ATOM 433 CA HIS A 59 33.228 61.178 48.843 1.00 12.28 C ATOM 434 C HIS A 59 33.504 60.642 50.241 1.00 15.56 C ATOM 435 O HIS A 59 33.504 61.375 51.233 1.00 21.15 O ATOM 436 CB HIS A 59 33.785 62.584 48.694 1.00 14.54 C ATOM 437 CG HIS A 59 35.271 62.625 48.868 1.00 17.97 C ATOM 438 ND1 HIS A 59 35.955 63.744 49.293 1.00 37.13 N ATOM 439 CD2 HIS A 59 36.201 61.655 48.698 1.00 23.85 C ATOM 440 CE1 HIS A 59 37.245 63.463 49.362 1.00 32.56 C ATOM 441 NE2 HIS A 59 37.419 62.201 49.007 1.00 20.63 N ATOM 442 H HIS A 59 31.208 61.982 48.678 1.00 0.00 H ATOM 443 N ILE A 60 33.750 59.345 50.317 1.00 11.82 N ATOM 444 CA ILE A 60 34.288 58.701 51.507 1.00 10.83 C ATOM 445 C ILE A 60 35.780 58.546 51.259 1.00 13.29 C ATOM 446 O ILE A 60 36.179 57.901 50.284 1.00 12.54 O ATOM 447 CB ILE A 60 33.617 57.341 51.751 1.00 12.57 C ATOM 448 CG1 ILE A 60 32.091 57.487 51.777 1.00 13.29 C ATOM 449 CG2 ILE A 60 34.143 56.690 53.024 1.00 13.21 C ATOM 450 CD1 ILE A 60 31.361 56.161 51.777 1.00 17.43 C ATOM 451 H ILE A 60 33.549 58.755 49.485 1.00 0.00 H ATOM 452 N SER A 61 36.612 59.154 52.108 1.00 11.48 N ATOM 453 CA SER A 61 38.031 59.247 51.769 1.00 12.52 C ATOM 454 C SER A 61 38.738 57.898 51.858 1.00 12.27 C ATOM 455 O SER A 61 39.694 57.656 51.111 1.00 11.97 O ATOM 456 CB SER A 61 38.714 60.273 52.663 1.00 15.95 C ATOM 457 OG SER A 61 38.729 59.837 54.012 1.00 16.20 O ATOM 458 HG SER A 61 39.177 60.519 54.573 1.00 0.00 H ATOM 459 H SER A 61 36.255 59.556 52.998 1.00 0.00 H ATOM 460 N GLN A 62 38.289 57.014 52.741 1.00 13.44 N ATOM 461 CA GLN A 62 38.920 55.715 52.942 1.00 14.09 C ATOM 462 C GLN A 62 37.977 54.872 53.777 1.00 11.38 C ATOM 463 O GLN A 62 37.144 55.403 54.516 1.00 13.03 O ATOM 464 CB GLN A 62 40.282 55.844 53.624 1.00 17.42 C ATOM 465 CG GLN A 62 40.207 56.567 54.943 1.00 15.84 C ATOM 466 CD GLN A 62 41.446 57.391 55.221 1.00 18.76 C ATOM 467 OE1 GLN A 62 41.434 58.614 55.072 1.00 26.18 O ATOM 468 NE2 GLN A 62 42.513 56.734 55.641 1.00 18.16 N ATOM 469 HE22 GLN A 62 42.477 55.701 55.752 1.00 0.00 H ATOM 470 HE21 GLN A 62 43.389 57.250 55.860 1.00 0.00 H ATOM 471 H GLN A 62 37.454 57.258 53.312 1.00 0.00 H ATOM 472 N ILE A 63 38.116 53.549 53.649 1.00 10.84 N ATOM 473 CA ILE A 63 37.164 52.646 54.291 1.00 12.83 C ATOM 474 C ILE A 63 37.202 52.816 55.807 1.00 13.00 C ATOM 475 O ILE A 63 36.187 52.609 56.483 1.00 14.14 O ATOM 476 CB ILE A 63 37.431 51.185 53.845 1.00 11.17 C ATOM 477 CG1 ILE A 63 36.311 50.252 54.302 1.00 23.04 C ATOM 478 CG2 ILE A 63 38.755 50.683 54.386 1.00 16.56 C ATOM 479 CD1 ILE A 63 34.980 50.584 53.719 1.00 23.30 C ATOM 480 H ILE A 63 38.904 53.162 53.091 1.00 0.00 H ATOM 481 N SER A 64 38.344 53.246 56.365 1.00 11.51 N ATOM 482 CA SER A 64 38.463 53.338 57.818 1.00 13.24 C ATOM 483 C SER A 64 37.566 54.413 58.425 1.00 13.15 C ATOM 484 O SER A 64 37.309 54.368 59.632 1.00 16.81 O ATOM 485 CB SER A 64 39.920 53.591 58.229 1.00 15.18 C ATOM 486 OG SER A 64 40.374 54.871 57.808 1.00 14.86 O ATOM 487 HG SER A 64 41.314 54.996 58.091 1.00 0.00 H ATOM 488 H SER A 64 39.147 53.515 55.761 1.00 0.00 H ATOM 489 N VAL A 65 37.083 55.370 57.636 1.00 12.60 N ATOM 490 CA VAL A 65 36.194 56.408 58.147 1.00 12.74 C ATOM 491 C VAL A 65 34.763 56.221 57.659 1.00 16.47 C ATOM 492 O VAL A 65 33.913 57.084 57.906 1.00 19.08 O ATOM 493 CB VAL A 65 36.706 57.819 57.812 1.00 13.92 C ATOM 494 CG1 VAL A 65 38.113 58.017 58.363 1.00 16.15 C ATOM 495 CG2 VAL A 65 36.651 58.075 56.304 1.00 21.30 C ATOM 496 H VAL A 65 37.346 55.378 56.630 1.00 0.00 H ATOM 497 N ALA A 66 34.470 55.114 56.979 1.00 13.42 N ATOM 498 CA ALA A 66 33.100 54.830 56.571 1.00 13.27 C ATOM 499 C ALA A 66 32.205 54.705 57.799 1.00 17.76 C ATOM 500 O ALA A 66 32.625 54.199 58.845 1.00 17.94 O ATOM 501 CB ALA A 66 33.046 53.546 55.742 1.00 16.02 C ATOM 502 H ALA A 66 35.228 54.444 56.736 1.00 0.00 H ATOM 503 N GLU A 67 30.974 55.186 57.673 1.00 21.99 N ATOM 504 CA GLU A 67 30.007 55.155 58.760 1.00 29.82 C ATOM 505 C GLU A 67 29.118 53.924 58.644 1.00 24.16 C ATOM 506 O GLU A 67 28.982 53.327 57.573 1.00 20.22 O ATOM 507 CB GLU A 67 29.140 56.416 58.759 1.00 34.29 C ATOM 508 CG GLU A 67 29.908 57.717 58.884 1.00 36.01 C ATOM 509 CD GLU A 67 29.860 58.531 57.600 1.00 51.78 C ATOM 510 OE1 GLU A 67 28.936 59.363 57.450 1.00 55.44 O ATOM 511 OE2 GLU A 67 30.741 58.328 56.732 1.00 55.35 O ATOM 512 H GLU A 67 30.690 55.601 56.763 1.00 0.00 H ATOM 513 N ASP A 68 28.517 53.546 59.776 1.00 23.96 N ATOM 514 CA ASP A 68 27.594 52.416 59.789 1.00 22.61 C ATOM 515 C ASP A 68 26.476 52.588 58.768 1.00 14.47 C ATOM 516 O ASP A 68 26.038 51.603 58.161 1.00 19.60 O ATOM 517 CB ASP A 68 27.005 52.235 61.191 1.00 26.46 C ATOM 518 CG ASP A 68 28.060 51.898 62.228 1.00 38.70 C ATOM 519 OD1 ASP A 68 29.261 52.088 61.942 1.00 38.09 O ATOM 520 OD2 ASP A 68 27.689 51.449 63.334 1.00 38.38 O ATOM 521 H ASP A 68 28.709 54.063 60.658 1.00 0.00 H ATOM 522 N ASP A 69 26.014 53.824 58.554 1.00 20.68 N ATOM 523 CA ASP A 69 24.962 54.077 57.576 1.00 22.95 C ATOM 524 C ASP A 69 25.430 53.908 56.135 1.00 19.24 C ATOM 525 O ASP A 69 24.586 53.905 55.234 1.00 21.91 O ATOM 526 CB ASP A 69 24.385 55.481 57.764 1.00 25.30 C ATOM 527 CG ASP A 69 23.482 55.582 58.985 1.00 46.74 C ATOM 528 OD1 ASP A 69 23.066 54.525 59.510 1.00 45.21 O ATOM 529 OD2 ASP A 69 23.184 56.718 59.417 1.00 45.95 O ATOM 530 H ASP A 69 26.412 54.619 59.094 1.00 0.00 H ATOM 531 N ASP A 70 26.738 53.778 55.898 1.00 16.79 N ATOM 532 CA ASP A 70 27.285 53.489 54.572 1.00 15.75 C ATOM 533 C ASP A 70 27.285 52.007 54.239 1.00 15.62 C ATOM 534 O ASP A 70 27.768 51.629 53.168 1.00 14.15 O ATOM 535 CB ASP A 70 28.731 53.991 54.465 1.00 20.44 C ATOM 536 CG ASP A 70 28.849 55.484 54.598 1.00 23.81 C ATOM 537 OD1 ASP A 70 28.064 56.211 53.959 1.00 17.85 O ATOM 538 OD2 ASP A 70 29.744 55.933 55.352 1.00 27.98 O ATOM 539 H ASP A 70 27.399 53.887 56.694 1.00 0.00 H ATOM 540 N GLU A 71 26.754 51.168 55.124 1.00 13.22 N ATOM 541 CA GLU A 71 26.841 49.720 54.950 1.00 12.98 C ATOM 542 C GLU A 71 26.277 49.277 53.603 1.00 16.31 C ATOM 543 O GLU A 71 26.938 48.560 52.841 1.00 15.80 O ATOM 544 CB GLU A 71 26.107 49.032 56.105 1.00 18.54 C ATOM 545 CG GLU A 71 25.786 47.567 55.886 1.00 16.26 C ATOM 546 CD GLU A 71 24.941 46.987 57.011 1.00 20.95 C ATOM 547 OE1 GLU A 71 23.696 47.028 56.912 1.00 22.39 O ATOM 548 OE2 GLU A 71 25.527 46.503 58.001 1.00 23.65 O ATOM 549 H GLU A 71 26.266 51.551 55.959 1.00 0.00 H ATOM 550 N SER A 72 25.041 49.677 53.291 1.00 12.89 N ATOM 551 CA SER A 72 24.445 49.187 52.055 1.00 14.01 C ATOM 552 C SER A 72 25.144 49.763 50.829 1.00 13.21 C ATOM 553 O SER A 72 25.238 49.083 49.800 1.00 13.40 O ATOM 554 CB SER A 72 22.942 49.487 52.025 1.00 22.51 C ATOM 555 OG SER A 72 22.678 50.871 52.028 1.00 28.11 O ATOM 556 HG SER A 72 23.058 51.276 52.847 1.00 0.00 H ATOM 557 H SER A 72 24.517 50.323 53.915 1.00 0.00 H ATOM 558 N LEU A 73 25.660 50.992 50.925 1.00 11.02 N ATOM 559 CA LEU A 73 26.385 51.573 49.802 1.00 10.51 C ATOM 560 C LEU A 73 27.651 50.783 49.514 1.00 11.07 C ATOM 561 O LEU A 73 27.963 50.498 48.351 1.00 10.87 O ATOM 562 CB LEU A 73 26.711 53.039 50.089 1.00 11.74 C ATOM 563 CG LEU A 73 27.589 53.726 49.043 1.00 11.80 C ATOM 564 CD1 LEU A 73 26.860 53.790 47.705 1.00 13.43 C ATOM 565 CD2 LEU A 73 27.967 55.113 49.529 1.00 16.82 C ATOM 566 H LEU A 73 25.544 51.536 51.804 1.00 0.00 H ATOM 567 N LEU A 74 28.381 50.399 50.560 1.00 10.77 N ATOM 568 CA LEU A 74 29.586 49.602 50.356 1.00 10.87 C ATOM 569 C LEU A 74 29.254 48.247 49.741 1.00 11.13 C ATOM 570 O LEU A 74 29.939 47.792 48.813 1.00 10.04 O ATOM 571 CB LEU A 74 30.329 49.430 51.681 1.00 9.57 C ATOM 572 CG LEU A 74 30.898 50.724 52.256 1.00 12.00 C ATOM 573 CD1 LEU A 74 31.410 50.449 53.657 1.00 16.12 C ATOM 574 CD2 LEU A 74 32.011 51.311 51.384 1.00 13.06 C ATOM 575 H LEU A 74 28.092 50.667 51.522 1.00 0.00 H ATOM 576 N GLY A 75 28.211 47.584 50.242 1.00 9.88 N ATOM 577 CA GLY A 75 27.770 46.354 49.616 1.00 9.05 C ATOM 578 C GLY A 75 27.352 46.552 48.174 1.00 10.28 C ATOM 579 O GLY A 75 27.552 45.668 47.336 1.00 10.66 O ATOM 580 H GLY A 75 27.715 47.949 51.080 1.00 0.00 H ATOM 581 N HIS A 76 26.764 47.714 47.869 1.00 10.13 N ATOM 582 CA HIS A 76 26.366 48.022 46.501 1.00 10.47 C ATOM 583 C HIS A 76 27.568 48.040 45.575 1.00 9.79 C ATOM 584 O HIS A 76 27.477 47.594 44.427 1.00 10.81 O ATOM 585 CB HIS A 76 25.650 49.369 46.460 1.00 11.43 C ATOM 586 CG HIS A 76 25.022 49.685 45.137 1.00 8.70 C ATOM 587 ND1 HIS A 76 23.919 49.007 44.662 1.00 13.58 N ATOM 588 CD2 HIS A 76 25.325 50.618 44.203 1.00 8.94 C ATOM 589 CE1 HIS A 76 23.572 49.508 43.488 1.00 12.48 C ATOM 590 NE2 HIS A 76 24.411 50.484 43.186 1.00 10.81 N ATOM 591 H HIS A 76 26.588 48.410 48.621 1.00 0.00 H ATOM 592 N LEU A 77 28.709 48.542 46.056 1.00 8.65 N ATOM 593 CA LEU A 77 29.911 48.518 45.225 1.00 9.95 C ATOM 594 C LEU A 77 30.286 47.091 44.851 1.00 10.44 C ATOM 595 O LEU A 77 30.700 46.828 43.715 1.00 9.60 O ATOM 596 CB LEU A 77 31.074 49.198 45.936 1.00 10.16 C ATOM 597 CG LEU A 77 30.913 50.616 46.499 1.00 9.94 C ATOM 598 CD1 LEU A 77 32.202 51.048 47.201 1.00 12.84 C ATOM 599 CD2 LEU A 77 30.573 51.594 45.379 1.00 14.04 C ATOM 600 H LEU A 77 28.741 48.946 47.014 1.00 0.00 H ATOM 601 N MET A 78 30.129 46.152 45.791 1.00 9.71 N ATOM 602 CA MET A 78 30.481 44.766 45.510 1.00 8.91 C ATOM 603 C MET A 78 29.479 44.110 44.565 1.00 9.12 C ATOM 604 O MET A 78 29.872 43.328 43.690 1.00 10.60 O ATOM 605 CB MET A 78 30.597 43.986 46.816 1.00 9.91 C ATOM 606 CG MET A 78 31.746 44.470 47.686 1.00 9.71 C ATOM 607 SD MET A 78 32.024 43.339 49.048 1.00 19.88 S ATOM 608 CE MET A 78 32.140 41.805 48.146 1.00 13.52 C ATOM 609 H MET A 78 29.754 46.412 46.726 1.00 0.00 H ATOM 610 N ILE A 79 28.180 44.403 44.730 1.00 9.10 N ATOM 611 CA ILE A 79 27.183 43.841 43.821 1.00 10.07 C ATOM 612 C ILE A 79 27.377 44.394 42.410 1.00 10.91 C ATOM 613 O ILE A 79 27.341 43.644 41.424 1.00 10.14 O ATOM 614 CB ILE A 79 25.759 44.105 44.351 1.00 10.30 C ATOM 615 CG1 ILE A 79 25.513 43.318 45.642 1.00 13.77 C ATOM 616 CG2 ILE A 79 24.728 43.746 43.280 1.00 13.80 C ATOM 617 CD1 ILE A 79 25.582 41.823 45.468 1.00 14.12 C ATOM 618 H ILE A 79 27.883 45.030 45.505 1.00 0.00 H ATOM 619 N VAL A 80 27.619 45.702 42.292 1.00 9.87 N ATOM 620 CA VAL A 80 27.916 46.284 40.984 1.00 9.82 C ATOM 621 C VAL A 80 29.185 45.671 40.394 1.00 9.86 C ATOM 622 O VAL A 80 29.222 45.309 39.210 1.00 10.35 O ATOM 623 CB VAL A 80 27.999 47.819 41.092 1.00 8.88 C ATOM 624 CG1 VAL A 80 28.563 48.428 39.815 1.00 10.31 C ATOM 625 CG2 VAL A 80 26.594 48.398 41.378 1.00 11.80 C ATOM 626 H VAL A 80 27.596 46.310 43.135 1.00 0.00 H ATOM 627 N GLY A 81 30.232 45.513 41.208 1.00 9.86 N ATOM 628 CA GLY A 81 31.443 44.870 40.714 1.00 8.16 C ATOM 629 C GLY A 81 31.202 43.463 40.199 1.00 10.41 C ATOM 630 O GLY A 81 31.720 43.084 39.147 1.00 9.64 O ATOM 631 H GLY A 81 30.183 45.848 42.191 1.00 0.00 H ATOM 632 N LYS A 82 30.388 42.683 40.920 1.00 9.02 N ATOM 633 CA LYS A 82 30.045 41.334 40.487 1.00 11.76 C ATOM 634 C LYS A 82 29.341 41.361 39.136 1.00 9.75 C ATOM 635 O LYS A 82 29.672 40.577 38.236 1.00 10.71 O ATOM 636 CB LYS A 82 29.155 40.672 41.548 1.00 16.06 C ATOM 637 CG LYS A 82 28.265 39.542 41.037 1.00 17.64 C ATOM 638 CD LYS A 82 27.223 39.165 42.067 1.00 28.42 C ATOM 639 CE LYS A 82 25.882 39.760 41.727 1.00 29.72 C ATOM 640 NZ LYS A 82 25.124 38.867 40.802 1.00 23.79 N ATOM 641 HZ1 LYS A 82 25.666 38.739 39.924 1.00 0.00 H ATOM 642 HZ2 LYS A 82 24.976 37.944 41.257 1.00 0.00 H ATOM 643 HZ3 LYS A 82 24.204 39.298 40.582 1.00 0.00 H ATOM 644 H LYS A 82 29.991 43.048 41.809 1.00 0.00 H ATOM 645 N LYS A 83 28.387 42.287 38.967 1.00 8.75 N ATOM 646 CA LYS A 83 27.605 42.338 37.733 1.00 9.65 C ATOM 647 C LYS A 83 28.447 42.850 36.574 1.00 11.71 C ATOM 648 O LYS A 83 28.330 42.357 35.444 1.00 11.52 O ATOM 649 CB LYS A 83 26.365 43.218 37.931 1.00 11.48 C ATOM 650 CG LYS A 83 25.327 42.598 38.867 1.00 13.38 C ATOM 651 CD LYS A 83 24.096 43.479 39.010 1.00 14.86 C ATOM 652 CE LYS A 83 23.073 42.822 39.924 1.00 19.83 C ATOM 653 NZ LYS A 83 21.868 43.678 40.106 1.00 23.93 N ATOM 654 HZ1 LYS A 83 22.150 44.586 40.528 1.00 0.00 H ATOM 655 HZ2 LYS A 83 21.422 43.847 39.182 1.00 0.00 H ATOM 656 HZ3 LYS A 83 21.194 43.197 40.735 1.00 0.00 H ATOM 657 H LYS A 83 28.201 42.977 39.722 1.00 0.00 H ATOM 658 N CYS A 84 29.312 43.830 36.838 1.00 10.02 N ATOM 659 CA CYS A 84 30.220 44.305 35.804 1.00 10.68 C ATOM 660 C CYS A 84 31.185 43.211 35.373 1.00 13.05 C ATOM 661 O CYS A 84 31.470 43.063 34.179 1.00 12.26 O ATOM 662 CB CYS A 84 30.985 45.530 36.294 1.00 10.67 C ATOM 663 SG CYS A 84 29.988 47.004 36.418 1.00 12.47 S ATOM 664 H CYS A 84 29.338 44.257 37.786 1.00 0.00 H ATOM 665 N ALA A 85 31.702 42.437 36.329 1.00 10.45 N ATOM 666 CA ALA A 85 32.646 41.380 35.981 1.00 8.99 C ATOM 667 C ALA A 85 32.014 40.363 35.042 1.00 12.76 C ATOM 668 O ALA A 85 32.650 39.912 34.080 1.00 11.85 O ATOM 669 CB ALA A 85 33.161 40.689 37.248 1.00 12.03 C ATOM 670 H ALA A 85 31.432 42.587 37.322 1.00 0.00 H ATOM 671 N ALA A 86 30.763 39.986 35.305 1.00 12.60 N ATOM 672 CA ALA A 86 30.087 39.051 34.411 1.00 12.48 C ATOM 673 C ALA A 86 29.926 39.635 33.013 1.00 16.27 C ATOM 674 O ALA A 86 30.079 38.924 32.012 1.00 17.03 O ATOM 675 CB ALA A 86 28.725 38.668 34.986 1.00 10.49 C ATOM 676 H ALA A 86 30.271 40.356 36.143 1.00 0.00 H ATOM 677 N ASP A 87 29.620 40.924 32.920 1.00 11.42 N ATOM 678 CA ASP A 87 29.443 41.546 31.616 1.00 13.32 C ATOM 679 C ASP A 87 30.751 42.007 30.985 1.00 12.64 C ATOM 680 O ASP A 87 30.722 42.616 29.911 1.00 14.18 O ATOM 681 CB ASP A 87 28.458 42.706 31.723 1.00 15.95 C ATOM 682 CG ASP A 87 27.013 42.229 31.760 1.00 26.04 C ATOM 683 OD1 ASP A 87 26.779 41.054 31.398 1.00 33.82 O ATOM 684 OD2 ASP A 87 26.123 43.021 32.126 1.00 29.73 O ATOM 685 H ASP A 87 29.506 41.492 33.784 1.00 0.00 H ATOM 686 N LEU A 88 31.890 41.740 31.623 1.00 12.05 N ATOM 687 CA LEU A 88 33.192 41.871 30.991 1.00 11.94 C ATOM 688 C LEU A 88 33.801 40.509 30.686 1.00 12.95 C ATOM 689 O LEU A 88 34.986 40.426 30.355 1.00 16.43 O ATOM 690 CB LEU A 88 34.122 42.707 31.871 1.00 12.12 C ATOM 691 CG LEU A 88 33.703 44.174 31.972 1.00 10.54 C ATOM 692 CD1 LEU A 88 34.441 44.858 33.127 1.00 12.04 C ATOM 693 CD2 LEU A 88 33.926 44.929 30.651 1.00 14.50 C ATOM 694 H LEU A 88 31.845 41.425 32.613 1.00 0.00 H ATOM 695 N GLY A 89 33.014 39.440 30.809 1.00 13.64 N ATOM 696 CA GLY A 89 33.435 38.121 30.375 1.00 16.78 C ATOM 697 C GLY A 89 34.225 37.312 31.378 1.00 20.11 C ATOM 698 O GLY A 89 34.858 36.327 30.984 1.00 20.60 O ATOM 699 H GLY A 89 32.069 39.555 31.229 1.00 0.00 H ATOM 700 N LEU A 90 34.201 37.680 32.663 1.00 14.22 N ATOM 701 CA LEU A 90 35.064 37.059 33.678 1.00 14.21 C ATOM 702 C LEU A 90 34.382 35.847 34.320 1.00 19.94 C ATOM 703 O LEU A 90 34.057 35.831 35.509 1.00 22.86 O ATOM 704 CB LEU A 90 35.442 38.080 34.743 1.00 15.51 C ATOM 705 CG LEU A 90 36.272 39.283 34.307 1.00 14.59 C ATOM 706 CD1 LEU A 90 36.644 40.123 35.532 1.00 14.29 C ATOM 707 CD2 LEU A 90 37.519 38.805 33.580 1.00 14.97 C ATOM 708 H LEU A 90 33.547 38.434 32.956 1.00 0.00 H ATOM 709 N ASN A 91 34.220 34.788 33.530 1.00 18.41 N ATOM 710 CA ASN A 91 33.539 33.601 34.039 1.00 17.87 C ATOM 711 C ASN A 91 34.472 32.605 34.726 1.00 18.25 C ATOM 712 O ASN A 91 33.989 31.607 35.269 1.00 22.96 O ATOM 713 CB ASN A 91 32.763 32.908 32.911 1.00 20.59 C ATOM 714 CG ASN A 91 33.615 32.641 31.687 1.00 30.98 C ATOM 715 OD1 ASN A 91 34.826 32.441 31.781 1.00 34.25 O ATOM 716 ND2 ASN A 91 32.979 32.637 30.519 1.00 45.84 N ATOM 717 HD22 ASN A 91 31.954 32.811 30.484 1.00 0.00 H ATOM 718 HD21 ASN A 91 33.506 32.460 29.640 1.00 0.00 H ATOM 719 H ASN A 91 34.577 34.806 32.553 1.00 0.00 H ATOM 720 N LYS A 92 35.780 32.854 34.743 1.00 14.30 N ATOM 721 CA LYS A 92 36.727 31.983 35.427 1.00 14.29 C ATOM 722 C LYS A 92 37.145 32.524 36.783 1.00 17.52 C ATOM 723 O LYS A 92 37.988 31.910 37.447 1.00 19.36 O ATOM 724 CB LYS A 92 37.977 31.767 34.569 1.00 20.88 C ATOM 725 CG LYS A 92 37.739 30.991 33.286 1.00 26.56 C ATOM 726 CD LYS A 92 39.034 30.882 32.482 1.00 27.96 C ATOM 727 CE LYS A 92 40.129 30.195 33.277 1.00 36.43 C ATOM 728 NZ LYS A 92 39.689 28.871 33.802 1.00 48.54 N ATOM 729 HZ1 LYS A 92 38.867 29.002 34.426 1.00 0.00 H ATOM 730 HZ2 LYS A 92 39.427 28.254 33.007 1.00 0.00 H ATOM 731 HZ3 LYS A 92 40.467 28.436 34.339 1.00 0.00 H ATOM 732 H LYS A 92 36.138 33.698 34.252 1.00 0.00 H ATOM 733 N GLY A 93 36.603 33.661 37.193 1.00 16.55 N ATOM 734 CA GLY A 93 36.855 34.216 38.505 1.00 16.14 C ATOM 735 C GLY A 93 37.586 35.543 38.431 1.00 12.58 C ATOM 736 O GLY A 93 37.903 36.057 37.359 1.00 14.61 O ATOM 737 H GLY A 93 35.971 34.175 36.546 1.00 0.00 H ATOM 738 N TYR A 94 37.852 36.089 39.614 1.00 11.20 N ATOM 739 CA TYR A 94 38.415 37.426 39.741 1.00 10.88 C ATOM 740 C TYR A 94 38.734 37.667 41.210 1.00 10.87 C ATOM 741 O TYR A 94 38.381 36.868 42.083 1.00 11.34 O ATOM 742 CB TYR A 94 37.466 38.505 39.201 1.00 10.26 C ATOM 743 CG TYR A 94 36.013 38.409 39.665 1.00 10.20 C ATOM 744 CD1 TYR A 94 35.605 38.944 40.885 1.00 11.69 C ATOM 745 CD2 TYR A 94 35.048 37.803 38.866 1.00 13.00 C ATOM 746 CE1 TYR A 94 34.278 38.863 41.303 1.00 13.13 C ATOM 747 CE2 TYR A 94 33.720 37.723 39.271 1.00 12.87 C ATOM 748 CZ TYR A 94 33.344 38.254 40.491 1.00 11.77 C ATOM 749 OH TYR A 94 32.023 38.177 40.887 1.00 13.86 O ATOM 750 HH TYR A 94 31.454 38.649 40.229 1.00 0.00 H ATOM 751 H TYR A 94 37.651 35.543 40.476 1.00 0.00 H ATOM 752 N ARG A 95 39.396 38.789 41.471 1.00 8.42 N ATOM 753 CA ARG A 95 39.724 39.213 42.827 1.00 9.98 C ATOM 754 C ARG A 95 39.233 40.640 43.041 1.00 9.40 C ATOM 755 O ARG A 95 39.427 41.505 42.172 1.00 11.11 O ATOM 756 CB ARG A 95 41.233 39.125 43.085 1.00 10.44 C ATOM 757 CG ARG A 95 41.665 39.657 44.448 1.00 9.26 C ATOM 758 CD ARG A 95 43.110 39.243 44.749 1.00 8.93 C ATOM 759 NE ARG A 95 43.206 37.788 44.910 1.00 11.29 N ATOM 760 CZ ARG A 95 44.324 37.076 44.781 1.00 10.11 C ATOM 761 NH1 ARG A 95 45.485 37.666 44.509 1.00 11.25 N ATOM 762 NH2 ARG A 95 44.278 35.762 44.937 1.00 12.39 N ATOM 763 HE ARG A 95 42.333 37.273 45.143 1.00 0.00 H ATOM 764 HH12 ARG A 95 46.348 37.095 44.412 1.00 0.00 H ATOM 765 HH11 ARG A 95 45.529 38.699 44.394 1.00 0.00 H ATOM 766 HH22 ARG A 95 45.145 35.196 44.839 1.00 0.00 H ATOM 767 HH21 ARG A 95 43.375 35.296 45.158 1.00 0.00 H ATOM 768 H ARG A 95 39.692 39.390 40.675 1.00 0.00 H ATOM 769 N MET A 96 38.574 40.871 44.176 1.00 9.32 N ATOM 770 CA MET A 96 38.167 42.200 44.620 1.00 10.23 C ATOM 771 C MET A 96 39.101 42.684 45.716 1.00 9.06 C ATOM 772 O MET A 96 39.496 41.904 46.583 1.00 9.63 O ATOM 773 CB MET A 96 36.732 42.183 45.146 1.00 11.52 C ATOM 774 CG MET A 96 35.729 41.832 44.080 1.00 9.71 C ATOM 775 SD MET A 96 34.057 41.836 44.742 1.00 13.20 S ATOM 776 CE MET A 96 33.091 42.120 43.262 1.00 14.24 C ATOM 777 H MET A 96 38.336 40.058 44.779 1.00 0.00 H ATOM 778 N VAL A 97 39.469 43.965 45.673 1.00 8.25 N ATOM 779 CA VAL A 97 40.449 44.524 46.605 1.00 6.75 C ATOM 780 C VAL A 97 40.019 45.920 47.046 1.00 8.33 C ATOM 781 O VAL A 97 39.670 46.755 46.208 1.00 8.96 O ATOM 782 CB VAL A 97 41.853 44.598 45.974 1.00 6.93 C ATOM 783 CG1 VAL A 97 42.844 45.189 46.981 1.00 10.72 C ATOM 784 CG2 VAL A 97 42.322 43.220 45.500 1.00 10.07 C ATOM 785 H VAL A 97 39.046 44.586 44.954 1.00 0.00 H ATOM 786 N VAL A 98 40.069 46.191 48.355 1.00 8.09 N ATOM 787 CA VAL A 98 39.996 47.555 48.882 1.00 6.86 C ATOM 788 C VAL A 98 41.289 47.836 49.628 1.00 8.67 C ATOM 789 O VAL A 98 41.644 47.102 50.557 1.00 9.75 O ATOM 790 CB VAL A 98 38.787 47.771 49.804 1.00 9.75 C ATOM 791 CG1 VAL A 98 38.783 49.206 50.316 1.00 9.10 C ATOM 792 CG2 VAL A 98 37.510 47.501 49.041 1.00 10.50 C ATOM 793 H VAL A 98 40.163 45.401 49.025 1.00 0.00 H ATOM 794 N ASN A 99 41.987 48.893 49.228 1.00 7.71 N ATOM 795 CA ASN A 99 43.207 49.340 49.894 1.00 9.54 C ATOM 796 C ASN A 99 42.900 50.440 50.904 1.00 9.42 C ATOM 797 O ASN A 99 42.157 51.378 50.606 1.00 10.92 O ATOM 798 CB ASN A 99 44.202 49.881 48.869 1.00 10.28 C ATOM 799 CG ASN A 99 44.698 48.818 47.910 1.00 9.44 C ATOM 800 OD1 ASN A 99 44.697 47.630 48.231 1.00 10.51 O ATOM 801 ND2 ASN A 99 45.141 49.247 46.729 1.00 11.19 N ATOM 802 HD22 ASN A 99 45.121 50.262 46.504 1.00 0.00 H ATOM 803 HD21 ASN A 99 45.506 48.567 46.032 1.00 0.00 H ATOM 804 H ASN A 99 41.649 49.427 48.402 1.00 0.00 H ATOM 805 N GLU A 100 43.507 50.348 52.085 1.00 8.21 N ATOM 806 CA GLU A 100 43.386 51.374 53.117 1.00 9.45 C ATOM 807 C GLU A 100 44.765 51.890 53.514 1.00 10.53 C ATOM 808 O GLU A 100 45.617 51.113 53.960 1.00 10.28 O ATOM 809 CB GLU A 100 42.665 50.816 54.350 1.00 10.09 C ATOM 810 CG GLU A 100 42.822 51.671 55.620 1.00 13.40 C ATOM 811 CD GLU A 100 42.018 52.959 55.584 1.00 14.44 C ATOM 812 OE1 GLU A 100 40.941 52.990 54.941 1.00 14.25 O ATOM 813 OE2 GLU A 100 42.449 53.947 56.227 1.00 17.18 O ATOM 814 H GLU A 100 44.092 49.511 52.281 1.00 0.00 H ATOM 815 N GLY A 101 44.979 53.200 53.353 1.00 10.12 N ATOM 816 CA GLY A 101 46.146 53.860 53.909 1.00 12.13 C ATOM 817 C GLY A 101 47.470 53.426 53.299 1.00 12.67 C ATOM 818 O GLY A 101 47.542 52.809 52.235 1.00 12.20 O ATOM 819 H GLY A 101 44.290 53.762 52.814 1.00 0.00 H ATOM 820 N SER A 102 48.536 53.755 54.030 1.00 11.83 N ATOM 821 CA SER A 102 49.887 53.590 53.508 1.00 14.59 C ATOM 822 C SER A 102 50.255 52.117 53.355 1.00 11.52 C ATOM 823 O SER A 102 50.686 51.687 52.278 1.00 10.81 O ATOM 824 CB SER A 102 50.874 54.313 54.423 1.00 17.17 C ATOM 825 OG SER A 102 52.193 54.224 53.914 1.00 24.25 O ATOM 826 HG SER A 102 52.228 54.639 53.016 1.00 0.00 H ATOM 827 H SER A 102 48.401 54.136 54.988 1.00 0.00 H ATOM 828 N ASP A 103 50.094 51.326 54.427 1.00 12.33 N ATOM 829 CA ASP A 103 50.407 49.900 54.337 1.00 11.41 C ATOM 830 C ASP A 103 49.516 49.194 53.321 1.00 10.31 C ATOM 831 O ASP A 103 49.943 48.224 52.690 1.00 11.02 O ATOM 832 CB ASP A 103 50.277 49.220 55.712 1.00 11.12 C ATOM 833 CG ASP A 103 51.543 49.329 56.544 1.00 16.35 C ATOM 834 OD1 ASP A 103 52.555 49.859 56.039 1.00 17.78 O ATOM 835 OD2 ASP A 103 51.525 48.866 57.703 1.00 15.56 O ATOM 836 H ASP A 103 49.747 51.727 55.322 1.00 0.00 H ATOM 837 N GLY A 104 48.272 49.658 53.153 1.00 8.08 N ATOM 838 CA GLY A 104 47.397 49.047 52.162 1.00 9.82 C ATOM 839 C GLY A 104 47.682 49.435 50.731 1.00 9.95 C ATOM 840 O GLY A 104 47.116 48.835 49.814 1.00 11.24 O ATOM 841 H GLY A 104 47.931 50.454 53.729 1.00 0.00 H ATOM 842 N GLY A 105 48.547 50.421 50.523 1.00 9.35 N ATOM 843 CA GLY A 105 48.857 50.873 49.184 1.00 10.46 C ATOM 844 C GLY A 105 47.758 51.681 48.535 1.00 7.47 C ATOM 845 O GLY A 105 47.662 51.699 47.305 1.00 11.55 O ATOM 846 H GLY A 105 49.009 50.876 51.336 1.00 0.00 H ATOM 847 N GLN A 106 46.928 52.353 49.332 1.00 9.80 N ATOM 848 CA GLN A 106 45.835 53.143 48.780 1.00 8.52 C ATOM 849 C GLN A 106 46.392 54.307 47.966 1.00 9.42 C ATOM 850 O GLN A 106 47.194 55.101 48.472 1.00 11.76 O ATOM 851 CB GLN A 106 44.940 53.657 49.911 1.00 9.47 C ATOM 852 CG GLN A 106 43.711 54.394 49.403 1.00 8.50 C ATOM 853 CD GLN A 106 42.766 54.846 50.503 1.00 10.19 C ATOM 854 OE1 GLN A 106 42.993 54.622 51.699 1.00 11.50 O ATOM 855 NE2 GLN A 106 41.686 55.500 50.088 1.00 11.01 N ATOM 856 HE22 GLN A 106 41.537 55.665 49.072 1.00 0.00 H ATOM 857 HE21 GLN A 106 40.990 55.846 50.779 1.00 0.00 H ATOM 858 H GLN A 106 47.062 52.313 50.363 1.00 0.00 H ATOM 859 N SER A 107 45.965 54.404 46.709 1.00 8.98 N ATOM 860 CA SER A 107 46.529 55.354 45.752 1.00 9.12 C ATOM 861 C SER A 107 45.758 56.659 45.637 1.00 12.10 C ATOM 862 O SER A 107 46.341 57.666 45.218 1.00 14.08 O ATOM 863 CB SER A 107 46.600 54.721 44.361 1.00 12.55 C ATOM 864 OG SER A 107 45.298 54.505 43.836 1.00 17.92 O ATOM 865 HG SER A 107 45.369 54.096 42.937 1.00 0.00 H ATOM 866 H SER A 107 45.197 53.777 46.394 1.00 0.00 H ATOM 867 N VAL A 108 44.447 56.638 45.882 1.00 9.96 N ATOM 868 CA VAL A 108 43.583 57.813 45.828 1.00 9.39 C ATOM 869 C VAL A 108 42.726 57.793 47.080 1.00 8.57 C ATOM 870 O VAL A 108 42.187 56.738 47.442 1.00 8.56 O ATOM 871 CB VAL A 108 42.690 57.803 44.570 1.00 6.94 C ATOM 872 CG1 VAL A 108 41.722 58.991 44.559 1.00 10.00 C ATOM 873 CG2 VAL A 108 43.545 57.809 43.299 1.00 7.96 C ATOM 874 H VAL A 108 44.012 55.726 46.127 1.00 0.00 H ATOM 875 N TYR A 109 42.599 58.943 47.746 1.00 8.73 N ATOM 876 CA TYR A 109 41.804 59.010 48.976 1.00 8.17 C ATOM 877 C TYR A 109 40.340 59.316 48.651 1.00 11.18 C ATOM 878 O TYR A 109 39.749 60.337 49.003 1.00 10.15 O ATOM 879 CB TYR A 109 42.431 59.990 49.964 1.00 13.19 C ATOM 880 CG TYR A 109 43.528 59.307 50.761 1.00 12.42 C ATOM 881 CD1 TYR A 109 43.215 58.473 51.821 1.00 16.60 C ATOM 882 CD2 TYR A 109 44.863 59.431 50.405 1.00 23.85 C ATOM 883 CE1 TYR A 109 44.190 57.821 52.545 1.00 21.76 C ATOM 884 CE2 TYR A 109 45.860 58.775 51.134 1.00 26.46 C ATOM 885 CZ TYR A 109 45.508 57.967 52.197 1.00 21.93 C ATOM 886 OH TYR A 109 46.464 57.298 52.940 1.00 22.99 O ATOM 887 HH TYR A 109 46.972 56.688 52.349 1.00 0.00 H ATOM 888 H TYR A 109 43.068 59.800 47.389 1.00 0.00 H ATOM 889 N HIS A 110 39.784 58.361 47.915 1.00 8.40 N ATOM 890 CA HIS A 110 38.363 58.254 47.612 1.00 9.56 C ATOM 891 C HIS A 110 38.131 56.755 47.544 1.00 8.94 C ATOM 892 O HIS A 110 38.781 56.093 46.732 1.00 10.13 O ATOM 893 CB HIS A 110 38.027 58.955 46.286 1.00 7.89 C ATOM 894 CG HIS A 110 36.572 58.957 45.937 1.00 8.49 C ATOM 895 ND1 HIS A 110 35.875 60.121 45.691 1.00 10.99 N ATOM 896 CD2 HIS A 110 35.686 57.944 45.784 1.00 8.93 C ATOM 897 CE1 HIS A 110 34.616 59.826 45.409 1.00 12.24 C ATOM 898 NE2 HIS A 110 34.478 58.511 45.442 1.00 10.59 N ATOM 899 H HIS A 110 40.413 57.631 47.524 1.00 0.00 H ATOM 900 N VAL A 111 37.277 56.215 48.428 1.00 8.85 N ATOM 901 CA VAL A 111 37.082 54.765 48.507 1.00 11.32 C ATOM 902 C VAL A 111 36.865 54.164 47.123 1.00 9.51 C ATOM 903 O VAL A 111 36.064 54.669 46.329 1.00 9.49 O ATOM 904 CB VAL A 111 35.890 54.446 49.425 1.00 12.47 C ATOM 905 CG1 VAL A 111 35.416 53.006 49.208 1.00 20.25 C ATOM 906 CG2 VAL A 111 36.271 54.662 50.855 1.00 16.27 C ATOM 907 H VAL A 111 36.744 56.837 49.069 1.00 0.00 H ATOM 908 N HIS A 112 37.578 53.075 46.826 1.00 9.63 N ATOM 909 CA HIS A 112 37.395 52.404 45.541 1.00 9.63 C ATOM 910 C HIS A 112 37.602 50.899 45.683 1.00 10.16 C ATOM 911 O HIS A 112 38.503 50.439 46.390 1.00 10.87 O ATOM 912 CB HIS A 112 38.322 52.994 44.453 1.00 8.89 C ATOM 913 CG HIS A 112 39.769 53.087 44.834 1.00 8.88 C ATOM 914 ND1 HIS A 112 40.251 54.021 45.726 1.00 9.04 N ATOM 915 CD2 HIS A 112 40.845 52.388 44.401 1.00 10.85 C ATOM 916 CE1 HIS A 112 41.561 53.880 45.842 1.00 9.33 C ATOM 917 NE2 HIS A 112 41.945 52.892 45.055 1.00 11.53 N ATOM 918 H HIS A 112 38.266 52.703 47.512 1.00 0.00 H ATOM 919 N LEU A 113 36.737 50.135 45.017 1.00 8.09 N ATOM 920 CA LEU A 113 36.839 48.683 44.942 1.00 7.60 C ATOM 921 C LEU A 113 37.507 48.289 43.627 1.00 9.10 C ATOM 922 O LEU A 113 36.989 48.608 42.551 1.00 10.03 O ATOM 923 CB LEU A 113 35.448 48.055 45.034 1.00 8.76 C ATOM 924 CG LEU A 113 35.383 46.540 44.885 1.00 8.13 C ATOM 925 CD1 LEU A 113 35.914 45.897 46.146 1.00 13.36 C ATOM 926 CD2 LEU A 113 33.934 46.122 44.645 1.00 10.09 C ATOM 927 H LEU A 113 35.947 50.599 44.525 1.00 0.00 H ATOM 928 N HIS A 114 38.651 47.603 43.710 1.00 7.54 N ATOM 929 CA HIS A 114 39.297 47.035 42.527 1.00 6.86 C ATOM 930 C HIS A 114 38.681 45.689 42.199 1.00 8.46 C ATOM 931 O HIS A 114 38.403 44.894 43.100 1.00 9.46 O ATOM 932 CB HIS A 114 40.794 46.770 42.745 1.00 7.78 C ATOM 933 CG HIS A 114 41.621 47.977 43.027 1.00 8.33 C ATOM 934 ND1 HIS A 114 42.379 48.600 42.057 1.00 9.50 N ATOM 935 CD2 HIS A 114 41.872 48.634 44.184 1.00 13.08 C ATOM 936 CE1 HIS A 114 43.032 49.613 42.601 1.00 13.71 C ATOM 937 NE2 HIS A 114 42.744 49.651 43.889 1.00 13.46 N ATOM 938 H HIS A 114 39.094 47.469 44.641 1.00 0.00 H ATOM 939 N VAL A 115 38.518 45.410 40.909 1.00 9.69 N ATOM 940 CA VAL A 115 38.145 44.081 40.440 1.00 8.37 C ATOM 941 C VAL A 115 39.132 43.695 39.349 1.00 9.42 C ATOM 942 O VAL A 115 39.270 44.420 38.359 1.00 9.94 O ATOM 943 CB VAL A 115 36.693 44.020 39.932 1.00 9.87 C ATOM 944 CG1 VAL A 115 36.327 42.587 39.549 1.00 12.49 C ATOM 945 CG2 VAL A 115 35.721 44.581 40.991 1.00 10.15 C ATOM 946 H VAL A 115 38.662 46.167 40.210 1.00 0.00 H ATOM 947 N LEU A 116 39.841 42.580 39.547 1.00 9.37 N ATOM 948 CA LEU A 116 40.903 42.133 38.652 1.00 8.71 C ATOM 949 C LEU A 116 40.630 40.710 38.199 1.00 10.73 C ATOM 950 O LEU A 116 40.308 39.846 39.021 1.00 11.02 O ATOM 951 CB LEU A 116 42.269 42.165 39.350 1.00 8.76 C ATOM 952 CG LEU A 116 42.704 43.486 39.985 1.00 11.77 C ATOM 953 CD1 LEU A 116 42.484 43.481 41.494 1.00 12.90 C ATOM 954 CD2 LEU A 116 44.160 43.764 39.651 1.00 13.81 C ATOM 955 H LEU A 116 39.625 42.000 40.383 1.00 0.00 H ATOM 956 N GLY A 117 40.809 40.459 36.910 1.00 11.43 N ATOM 957 CA GLY A 117 40.625 39.119 36.389 1.00 12.25 C ATOM 958 C GLY A 117 41.206 38.981 34.999 1.00 9.74 C ATOM 959 O GLY A 117 41.898 39.867 34.498 1.00 12.50 O ATOM 960 H GLY A 117 41.084 41.229 36.267 1.00 0.00 H ATOM 961 N GLY A 118 40.920 37.841 34.382 1.00 12.27 N ATOM 962 CA GLY A 118 41.468 37.544 33.072 1.00 11.50 C ATOM 963 C GLY A 118 42.831 36.896 33.106 1.00 12.89 C ATOM 964 O GLY A 118 43.423 36.668 32.035 1.00 16.12 O ATOM 965 H GLY A 118 40.294 37.151 34.844 1.00 0.00 H ATOM 966 N ARG A 119 43.354 36.622 34.298 1.00 12.92 N ATOM 967 CA ARG A 119 44.589 35.884 34.500 1.00 12.29 C ATOM 968 C ARG A 119 44.511 35.220 35.866 1.00 14.23 C ATOM 969 O ARG A 119 43.657 35.552 36.695 1.00 12.72 O ATOM 970 CB ARG A 119 45.822 36.793 34.407 1.00 14.53 C ATOM 971 CG ARG A 119 45.898 37.856 35.515 1.00 14.63 C ATOM 972 CD ARG A 119 47.311 38.405 35.612 1.00 15.49 C ATOM 973 NE ARG A 119 47.471 39.533 36.536 1.00 12.97 N ATOM 974 CZ ARG A 119 47.806 39.415 37.817 1.00 13.84 C ATOM 975 NH1 ARG A 119 47.984 38.214 38.364 1.00 12.51 N ATOM 976 NH2 ARG A 119 47.954 40.503 38.559 1.00 14.48 N ATOM 977 HE ARG A 119 47.311 40.491 36.163 1.00 0.00 H ATOM 978 HH12 ARG A 119 48.246 38.133 39.367 1.00 0.00 H ATOM 979 HH11 ARG A 119 47.861 37.357 37.788 1.00 0.00 H ATOM 980 HH22 ARG A 119 48.216 40.417 39.562 1.00 0.00 H ATOM 981 HH21 ARG A 119 47.808 41.443 38.139 1.00 0.00 H ATOM 982 H ARG A 119 42.845 36.958 35.141 1.00 0.00 H ATOM 983 N GLN A 120 45.406 34.272 36.101 1.00 14.73 N ATOM 984 CA GLN A 120 45.511 33.684 37.428 1.00 12.00 C ATOM 985 C GLN A 120 45.992 34.742 38.418 1.00 13.68 C ATOM 986 O GLN A 120 47.046 35.356 38.214 1.00 14.36 O ATOM 987 CB GLN A 120 46.475 32.500 37.419 1.00 14.98 C ATOM 988 CG GLN A 120 46.576 31.796 38.762 1.00 16.47 C ATOM 989 CD GLN A 120 45.262 31.166 39.175 1.00 16.09 C ATOM 990 OE1 GLN A 120 44.773 30.246 38.516 1.00 21.18 O ATOM 991 NE2 GLN A 120 44.668 31.668 40.261 1.00 15.90 N ATOM 992 HE22 GLN A 120 45.117 32.445 40.787 1.00 0.00 H ATOM 993 HE21 GLN A 120 43.757 31.282 40.581 1.00 0.00 H ATOM 994 H GLN A 120 46.033 33.948 35.337 1.00 0.00 H ATOM 995 N MET A 121 45.216 34.975 39.478 1.00 11.91 N ATOM 996 CA MET A 121 45.668 35.820 40.574 1.00 10.74 C ATOM 997 C MET A 121 46.399 34.959 41.593 1.00 11.96 C ATOM 998 O MET A 121 46.011 33.814 41.840 1.00 15.21 O ATOM 999 CB MET A 121 44.491 36.545 41.234 1.00 11.96 C ATOM 1000 CG MET A 121 43.626 37.328 40.253 1.00 14.05 C ATOM 1001 SD MET A 121 44.520 38.611 39.345 1.00 14.52 S ATOM 1002 CE MET A 121 45.061 39.663 40.693 1.00 18.75 C ATOM 1003 H MET A 121 44.270 34.545 39.522 1.00 0.00 H ATOM 1004 N HIS A 122 47.457 35.509 42.178 1.00 11.91 N ATOM 1005 CA HIS A 122 48.388 34.727 42.983 1.00 13.10 C ATOM 1006 C HIS A 122 48.258 35.040 44.471 1.00 13.83 C ATOM 1007 O HIS A 122 47.551 35.959 44.889 1.00 12.81 O ATOM 1008 CB HIS A 122 49.826 34.962 42.511 1.00 15.45 C ATOM 1009 CG HIS A 122 50.035 34.646 41.064 1.00 15.96 C ATOM 1010 ND1 HIS A 122 49.941 33.365 40.565 1.00 24.20 N ATOM 1011 CD2 HIS A 122 50.308 35.445 40.006 1.00 23.35 C ATOM 1012 CE1 HIS A 122 50.163 33.386 39.263 1.00 25.24 C ATOM 1013 NE2 HIS A 122 50.388 34.636 38.899 1.00 27.43 N ATOM 1014 H HIS A 122 47.627 36.528 42.058 1.00 0.00 H ATOM 1015 N TRP A 123 48.960 34.249 45.275 1.00 13.83 N ATOM 1016 CA TRP A 123 48.901 34.370 46.729 1.00 11.77 C ATOM 1017 C TRP A 123 50.330 34.423 47.259 1.00 14.48 C ATOM 1018 O TRP A 123 51.165 33.615 46.835 1.00 17.17 O ATOM 1019 CB TRP A 123 48.123 33.189 47.328 1.00 13.93 C ATOM 1020 CG TRP A 123 47.472 33.453 48.656 1.00 11.20 C ATOM 1021 CD1 TRP A 123 47.771 32.860 49.859 1.00 13.60 C ATOM 1022 CD2 TRP A 123 46.395 34.363 48.918 1.00 11.24 C ATOM 1023 NE1 TRP A 123 46.940 33.345 50.848 1.00 14.49 N ATOM 1024 CE2 TRP A 123 46.095 34.276 50.301 1.00 12.39 C ATOM 1025 CE3 TRP A 123 45.659 35.250 48.122 1.00 13.38 C ATOM 1026 CZ2 TRP A 123 45.084 35.038 50.900 1.00 12.66 C ATOM 1027 CZ3 TRP A 123 44.650 36.007 48.721 1.00 11.22 C ATOM 1028 CH2 TRP A 123 44.382 35.898 50.097 1.00 10.43 C ATOM 1029 HE1 TRP A 123 46.953 33.052 51.846 1.00 0.00 H ATOM 1030 H TRP A 123 49.571 33.520 44.855 1.00 0.00 H ATOM 1031 N PRO A 124 50.637 35.370 48.169 1.00 13.58 N ATOM 1032 CA PRO A 124 49.762 36.355 48.820 1.00 11.94 C ATOM 1033 C PRO A 124 49.293 37.469 47.874 1.00 12.08 C ATOM 1034 O PRO A 124 49.878 37.660 46.804 1.00 12.86 O ATOM 1035 CB PRO A 124 50.659 36.918 49.935 1.00 13.33 C ATOM 1036 CG PRO A 124 52.018 36.845 49.349 1.00 14.09 C ATOM 1037 CD PRO A 124 52.036 35.530 48.610 1.00 14.62 C ATOM 1038 N PRO A 125 48.228 38.210 48.274 1.00 9.94 N ATOM 1039 CA PRO A 125 47.679 39.272 47.416 1.00 9.87 C ATOM 1040 C PRO A 125 48.430 40.587 47.588 1.00 11.52 C ATOM 1041 O PRO A 125 47.875 41.601 48.015 1.00 12.53 O ATOM 1042 CB PRO A 125 46.225 39.356 47.899 1.00 10.82 C ATOM 1043 CG PRO A 125 46.328 39.076 49.369 1.00 10.24 C ATOM 1044 CD PRO A 125 47.447 38.050 49.516 1.00 11.76 C ATOM 1045 N GLY A 126 49.717 40.565 47.250 1.00 12.64 N ATOM 1046 CA GLY A 126 50.593 41.683 47.545 1.00 12.18 C ATOM 1047 C GLY A 126 51.258 41.500 48.894 1.00 15.69 C ATOM 1048 O GLY A 126 51.887 42.414 49.428 1.00 14.44 O ATOM 1049 OXT GLY A 126 51.155 40.418 49.481 1.00 18.08 O ATOM 1050 H GLY A 126 50.102 39.730 46.765 1.00 0.00 H TER 1051 GLY A 126 ATOM 1052 N ARG B 12 23.366 22.333 58.995 1.00 47.90 N ATOM 1053 CA ARG B 12 22.876 23.042 57.815 1.00 48.78 C ATOM 1054 C ARG B 12 23.038 24.570 57.919 1.00 46.36 C ATOM 1055 O ARG B 12 23.504 25.191 56.963 1.00 41.51 O ATOM 1056 CB ARG B 12 21.410 22.677 57.538 1.00 54.67 C ATOM 1057 HN3 ARG B 12 22.838 22.650 59.833 1.00 0.00 H ATOM 1058 HN2 ARG B 12 24.378 22.535 59.124 1.00 0.00 H ATOM 1059 HN1 ARG B 12 23.230 21.310 58.865 1.00 0.00 H ATOM 1060 N PRO B 13 22.661 25.185 59.047 1.00 46.40 N ATOM 1061 CA PRO B 13 22.979 26.609 59.224 1.00 47.98 C ATOM 1062 C PRO B 13 24.483 26.834 59.177 1.00 40.69 C ATOM 1063 O PRO B 13 25.248 26.200 59.909 1.00 39.02 O ATOM 1064 CB PRO B 13 22.396 26.942 60.604 1.00 44.36 C ATOM 1065 CG PRO B 13 22.216 25.628 61.278 1.00 48.51 C ATOM 1066 CD PRO B 13 21.863 24.682 60.181 1.00 52.05 C ATOM 1067 N GLY B 14 24.905 27.738 58.296 1.00 37.59 N ATOM 1068 CA GLY B 14 26.308 28.004 58.074 1.00 34.21 C ATOM 1069 C GLY B 14 26.915 27.268 56.899 1.00 28.13 C ATOM 1070 O GLY B 14 28.064 27.549 56.544 1.00 25.08 O ATOM 1071 H GLY B 14 24.200 28.272 57.748 1.00 0.00 H ATOM 1072 N GLY B 15 26.190 26.332 56.291 1.00 30.11 N ATOM 1073 CA GLY B 15 26.682 25.656 55.108 1.00 26.91 C ATOM 1074 C GLY B 15 27.516 24.429 55.416 1.00 25.08 C ATOM 1075 O GLY B 15 27.702 24.020 56.566 1.00 25.77 O ATOM 1076 H GLY B 15 25.255 26.082 56.671 1.00 0.00 H ATOM 1077 N ASP B 16 28.049 23.838 54.344 1.00 25.33 N ATOM 1078 CA ASP B 16 28.744 22.558 54.409 1.00 28.11 C ATOM 1079 C ASP B 16 30.245 22.669 54.140 1.00 29.06 C ATOM 1080 O ASP B 16 30.881 21.663 53.810 1.00 34.13 O ATOM 1081 CB ASP B 16 28.107 21.572 53.430 1.00 34.99 C ATOM 1082 CG ASP B 16 28.111 22.086 52.001 1.00 45.55 C ATOM 1083 OD1 ASP B 16 28.321 23.304 51.804 1.00 41.56 O ATOM 1084 OD2 ASP B 16 27.893 21.273 51.075 1.00 53.04 O ATOM 1085 H ASP B 16 27.965 24.312 53.422 1.00 0.00 H ATOM 1086 N THR B 17 30.828 23.862 54.271 1.00 22.06 N ATOM 1087 CA THR B 17 32.271 24.017 54.162 1.00 22.30 C ATOM 1088 C THR B 17 32.918 23.988 55.545 1.00 19.87 C ATOM 1089 O THR B 17 32.248 23.880 56.575 1.00 22.58 O ATOM 1090 CB THR B 17 32.644 25.331 53.475 1.00 22.17 C ATOM 1091 OG1 THR B 17 32.413 26.416 54.385 1.00 18.45 O ATOM 1092 CG2 THR B 17 31.829 25.539 52.206 1.00 22.44 C ATOM 1093 HG1 THR B 17 31.457 26.432 54.641 1.00 0.00 H ATOM 1094 H THR B 17 30.239 24.699 54.455 1.00 0.00 H ATOM 1095 N ILE B 18 34.245 24.127 55.567 1.00 19.61 N ATOM 1096 CA ILE B 18 34.949 24.249 56.839 1.00 21.17 C ATOM 1097 C ILE B 18 34.483 25.486 57.597 1.00 21.41 C ATOM 1098 O ILE B 18 34.509 25.512 58.834 1.00 17.87 O ATOM 1099 CB ILE B 18 36.476 24.256 56.612 1.00 27.64 C ATOM 1100 CG1 ILE B 18 37.211 24.190 57.953 1.00 31.10 C ATOM 1101 CG2 ILE B 18 36.908 25.485 55.823 1.00 24.53 C ATOM 1102 CD1 ILE B 18 38.682 23.921 57.831 1.00 32.24 C ATOM 1103 H ILE B 18 34.779 24.148 54.675 1.00 0.00 H ATOM 1104 N PHE B 19 34.036 26.526 56.883 1.00 18.16 N ATOM 1105 CA PHE B 19 33.562 27.719 57.579 1.00 14.78 C ATOM 1106 C PHE B 19 32.208 27.480 58.230 1.00 16.13 C ATOM 1107 O PHE B 19 31.885 28.120 59.242 1.00 14.87 O ATOM 1108 CB PHE B 19 33.491 28.909 56.618 1.00 15.52 C ATOM 1109 CG PHE B 19 34.836 29.452 56.226 1.00 14.97 C ATOM 1110 CD1 PHE B 19 36.002 28.917 56.751 1.00 15.49 C ATOM 1111 CD2 PHE B 19 34.934 30.513 55.336 1.00 17.00 C ATOM 1112 CE1 PHE B 19 37.253 29.415 56.382 1.00 18.09 C ATOM 1113 CE2 PHE B 19 36.180 31.022 54.974 1.00 15.94 C ATOM 1114 CZ PHE B 19 37.337 30.468 55.492 1.00 18.61 C ATOM 1115 H PHE B 19 34.026 26.485 55.844 1.00 0.00 H ATOM 1116 N GLY B 20 31.408 26.569 57.673 1.00 14.95 N ATOM 1117 CA GLY B 20 30.198 26.151 58.363 1.00 15.39 C ATOM 1118 C GLY B 20 30.499 25.543 59.719 1.00 18.09 C ATOM 1119 O GLY B 20 29.806 25.819 60.702 1.00 17.45 O ATOM 1120 H GLY B 20 31.649 26.159 56.748 1.00 0.00 H ATOM 1121 N LYS B 21 31.549 24.719 59.794 1.00 17.24 N ATOM 1122 CA LYS B 21 31.941 24.130 61.071 1.00 18.81 C ATOM 1123 C LYS B 21 32.411 25.193 62.054 1.00 19.37 C ATOM 1124 O LYS B 21 32.191 25.063 63.263 1.00 16.13 O ATOM 1125 CB LYS B 21 33.041 23.087 60.856 1.00 19.17 C ATOM 1126 CG LYS B 21 32.607 21.886 60.031 1.00 21.41 C ATOM 1127 CD LYS B 21 33.678 20.815 60.000 1.00 23.21 C ATOM 1128 CE LYS B 21 33.126 19.480 59.523 1.00 38.10 C ATOM 1129 NZ LYS B 21 32.706 19.509 58.096 1.00 40.70 N ATOM 1130 HZ1 LYS B 21 31.963 20.225 57.969 1.00 0.00 H ATOM 1131 HZ2 LYS B 21 33.524 19.747 57.500 1.00 0.00 H ATOM 1132 HZ3 LYS B 21 32.339 18.575 57.825 1.00 0.00 H ATOM 1133 H LYS B 21 32.091 24.496 58.935 1.00 0.00 H ATOM 1134 N ILE B 22 33.071 26.238 61.558 1.00 13.79 N ATOM 1135 CA ILE B 22 33.486 27.336 62.420 1.00 11.73 C ATOM 1136 C ILE B 22 32.265 28.098 62.927 1.00 14.28 C ATOM 1137 O ILE B 22 32.159 28.410 64.120 1.00 15.89 O ATOM 1138 CB ILE B 22 34.467 28.249 61.663 1.00 11.58 C ATOM 1139 CG1 ILE B 22 35.794 27.517 61.462 1.00 15.61 C ATOM 1140 CG2 ILE B 22 34.671 29.554 62.420 1.00 17.63 C ATOM 1141 CD1 ILE B 22 36.777 28.258 60.565 1.00 17.24 C ATOM 1142 H ILE B 22 33.293 26.270 60.542 1.00 0.00 H ATOM 1143 N ILE B 23 31.319 28.395 62.032 1.00 13.12 N ATOM 1144 CA ILE B 23 30.108 29.117 62.408 1.00 13.66 C ATOM 1145 C ILE B 23 29.334 28.351 63.475 1.00 15.85 C ATOM 1146 O ILE B 23 28.819 28.943 64.432 1.00 17.03 O ATOM 1147 CB ILE B 23 29.243 29.377 61.159 1.00 13.18 C ATOM 1148 CG1 ILE B 23 29.907 30.423 60.265 1.00 15.01 C ATOM 1149 CG2 ILE B 23 27.829 29.806 61.559 1.00 15.52 C ATOM 1150 CD1 ILE B 23 29.350 30.455 58.855 1.00 14.00 C ATOM 1151 H ILE B 23 31.449 28.104 61.042 1.00 0.00 H ATOM 1152 N ARG B 24 29.250 27.028 63.337 1.00 14.66 N ATOM 1153 CA ARG B 24 28.519 26.213 64.303 1.00 15.50 C ATOM 1154 C ARG B 24 29.348 25.882 65.535 1.00 18.46 C ATOM 1155 O ARG B 24 28.863 25.164 66.420 1.00 18.03 O ATOM 1156 CB ARG B 24 28.018 24.930 63.628 1.00 16.28 C ATOM 1157 CG ARG B 24 26.901 25.186 62.599 1.00 19.00 C ATOM 1158 CD ARG B 24 26.335 23.895 62.022 1.00 20.00 C ATOM 1159 NE ARG B 24 27.383 23.027 61.501 1.00 21.39 N ATOM 1160 CZ ARG B 24 27.824 23.041 60.246 1.00 23.12 C ATOM 1161 NH1 ARG B 24 27.306 23.882 59.356 1.00 20.11 N ATOM 1162 NH2 ARG B 24 28.793 22.210 59.882 1.00 24.19 N ATOM 1163 HE ARG B 24 27.818 22.348 62.158 1.00 0.00 H ATOM 1164 HH12 ARG B 24 27.658 23.885 58.377 1.00 0.00 H ATOM 1165 HH11 ARG B 24 26.549 24.537 59.639 1.00 0.00 H ATOM 1166 HH22 ARG B 24 29.142 22.216 58.902 1.00 0.00 H ATOM 1167 HH21 ARG B 24 29.203 21.553 60.576 1.00 0.00 H ATOM 1168 H ARG B 24 29.713 26.568 62.527 1.00 0.00 H ATOM 1169 N LYS B 25 30.569 26.402 65.620 1.00 15.74 N ATOM 1170 CA LYS B 25 31.465 26.210 66.755 1.00 17.24 C ATOM 1171 C LYS B 25 31.893 24.757 66.914 1.00 19.19 C ATOM 1172 O LYS B 25 32.321 24.347 68.001 1.00 18.21 O ATOM 1173 CB LYS B 25 30.836 26.726 68.056 1.00 17.90 C ATOM 1174 CG LYS B 25 30.256 28.128 67.957 1.00 23.38 C ATOM 1175 CD LYS B 25 31.312 29.161 67.616 1.00 23.11 C ATOM 1176 CE LYS B 25 30.667 30.497 67.266 1.00 33.97 C ATOM 1177 NZ LYS B 25 29.600 30.877 68.243 1.00 32.75 N ATOM 1178 HZ1 LYS B 25 28.858 30.148 68.245 1.00 0.00 H ATOM 1179 HZ2 LYS B 25 30.014 30.955 69.194 1.00 0.00 H ATOM 1180 HZ3 LYS B 25 29.189 31.791 67.967 1.00 0.00 H ATOM 1181 H LYS B 25 30.907 26.983 64.826 1.00 0.00 H ATOM 1182 N GLU B 26 31.792 23.965 65.848 1.00 16.35 N ATOM 1183 CA GLU B 26 32.229 22.576 65.911 1.00 18.36 C ATOM 1184 C GLU B 26 33.746 22.465 65.943 1.00 25.16 C ATOM 1185 O GLU B 26 34.283 21.520 66.530 1.00 25.09 O ATOM 1186 CB GLU B 26 31.652 21.802 64.731 1.00 18.76 C ATOM 1187 CG GLU B 26 30.128 21.805 64.749 1.00 18.09 C ATOM 1188 CD GLU B 26 29.515 21.304 63.459 1.00 23.30 C ATOM 1189 OE1 GLU B 26 30.266 20.884 62.553 1.00 25.45 O ATOM 1190 OE2 GLU B 26 28.272 21.340 63.352 1.00 23.25 O ATOM 1191 H GLU B 26 31.398 24.341 64.962 1.00 0.00 H ATOM 1192 N ILE B 27 34.446 23.405 65.318 1.00 17.78 N ATOM 1193 CA ILE B 27 35.905 23.437 65.367 1.00 20.15 C ATOM 1194 C ILE B 27 36.323 24.835 65.801 1.00 21.18 C ATOM 1195 O ILE B 27 35.629 25.816 65.491 1.00 19.48 O ATOM 1196 CB ILE B 27 36.537 23.052 64.020 1.00 23.12 C ATOM 1197 CG1 ILE B 27 36.135 24.042 62.932 1.00 25.21 C ATOM 1198 CG2 ILE B 27 36.163 21.623 63.628 1.00 29.10 C ATOM 1199 CD1 ILE B 27 36.873 23.823 61.629 1.00 28.25 C ATOM 1200 H ILE B 27 33.941 24.138 64.779 1.00 0.00 H ATOM 1201 N PRO B 28 37.429 24.978 66.521 1.00 21.98 N ATOM 1202 CA PRO B 28 37.750 26.269 67.130 1.00 17.41 C ATOM 1203 C PRO B 28 38.374 27.248 66.146 1.00 15.24 C ATOM 1204 O PRO B 28 38.953 26.883 65.121 1.00 21.21 O ATOM 1205 CB PRO B 28 38.738 25.900 68.244 1.00 22.08 C ATOM 1206 CG PRO B 28 39.387 24.649 67.759 1.00 29.06 C ATOM 1207 CD PRO B 28 38.334 23.906 66.977 1.00 26.56 C ATOM 1208 N ALA B 29 38.221 28.519 66.488 1.00 15.04 N ATOM 1209 CA ALA B 29 38.815 29.616 65.745 1.00 13.29 C ATOM 1210 C ALA B 29 39.007 30.764 66.717 1.00 15.45 C ATOM 1211 O ALA B 29 38.253 30.904 67.685 1.00 15.97 O ATOM 1212 CB ALA B 29 37.928 30.045 64.570 1.00 15.36 C ATOM 1213 H ALA B 29 37.649 28.741 67.328 1.00 0.00 H ATOM 1214 N LYS B 30 40.024 31.579 66.462 1.00 13.64 N ATOM 1215 CA LYS B 30 40.298 32.730 67.313 1.00 9.28 C ATOM 1216 C LYS B 30 39.399 33.859 66.830 1.00 12.75 C ATOM 1217 O LYS B 30 39.709 34.549 65.850 1.00 12.19 O ATOM 1218 CB LYS B 30 41.773 33.105 67.272 1.00 14.25 C ATOM 1219 CG LYS B 30 42.203 33.995 68.419 1.00 18.31 C ATOM 1220 CD LYS B 30 43.721 34.121 68.472 1.00 21.52 C ATOM 1221 CE LYS B 30 44.145 35.225 69.425 1.00 27.60 C ATOM 1222 NZ LYS B 30 45.617 35.249 69.649 1.00 27.51 N ATOM 1223 HZ1 LYS B 30 45.920 34.340 70.055 1.00 0.00 H ATOM 1224 HZ2 LYS B 30 46.102 35.404 68.742 1.00 0.00 H ATOM 1225 HZ3 LYS B 30 45.854 36.020 70.306 1.00 0.00 H ATOM 1226 H LYS B 30 40.635 31.393 65.641 1.00 0.00 H ATOM 1227 N ILE B 31 38.284 34.031 67.528 1.00 11.79 N ATOM 1228 CA ILE B 31 37.213 34.938 67.124 1.00 10.71 C ATOM 1229 C ILE B 31 37.532 36.346 67.603 1.00 11.88 C ATOM 1230 O ILE B 31 37.850 36.556 68.783 1.00 14.50 O ATOM 1231 CB ILE B 31 35.863 34.467 67.693 1.00 12.01 C ATOM 1232 CG1 ILE B 31 35.641 32.981 67.408 1.00 14.56 C ATOM 1233 CG2 ILE B 31 34.715 35.311 67.141 1.00 11.30 C ATOM 1234 CD1 ILE B 31 35.521 32.654 65.936 1.00 12.49 C ATOM 1235 H ILE B 31 38.166 33.492 68.409 1.00 0.00 H ATOM 1236 N ILE B 32 37.443 37.311 66.691 1.00 12.08 N ATOM 1237 CA ILE B 32 37.612 38.727 66.991 1.00 12.46 C ATOM 1238 C ILE B 32 36.273 39.383 67.296 1.00 11.13 C ATOM 1239 O ILE B 32 36.174 40.239 68.177 1.00 15.02 O ATOM 1240 CB ILE B 32 38.298 39.412 65.790 1.00 11.19 C ATOM 1241 CG1 ILE B 32 39.656 38.772 65.505 1.00 13.43 C ATOM 1242 CG2 ILE B 32 38.421 40.904 66.014 1.00 15.77 C ATOM 1243 CD1 ILE B 32 40.051 38.871 64.035 1.00 12.87 C ATOM 1244 H ILE B 32 37.241 37.039 65.708 1.00 0.00 H ATOM 1245 N PHE B 33 35.237 39.007 66.551 1.00 14.34 N ATOM 1246 CA PHE B 33 33.934 39.641 66.683 1.00 11.68 C ATOM 1247 C PHE B 33 32.875 38.669 66.193 1.00 11.35 C ATOM 1248 O PHE B 33 33.112 37.916 65.246 1.00 13.14 O ATOM 1249 CB PHE B 33 33.871 40.948 65.876 1.00 14.47 C ATOM 1250 CG PHE B 33 32.510 41.586 65.863 1.00 16.18 C ATOM 1251 CD1 PHE B 33 31.669 41.429 64.771 1.00 15.78 C ATOM 1252 CD2 PHE B 33 32.068 42.322 66.951 1.00 20.65 C ATOM 1253 CE1 PHE B 33 30.413 42.011 64.758 1.00 15.90 C ATOM 1254 CE2 PHE B 33 30.804 42.905 66.949 1.00 19.98 C ATOM 1255 CZ PHE B 33 29.982 42.753 65.844 1.00 17.40 C ATOM 1256 H PHE B 33 35.361 38.242 65.858 1.00 0.00 H ATOM 1257 N GLU B 34 31.716 38.686 66.840 1.00 10.77 N ATOM 1258 CA GLU B 34 30.571 37.925 66.366 1.00 14.46 C ATOM 1259 C GLU B 34 29.306 38.741 66.569 1.00 14.15 C ATOM 1260 O GLU B 34 29.150 39.402 67.602 1.00 15.29 O ATOM 1261 CB GLU B 34 30.446 36.572 67.090 1.00 13.61 C ATOM 1262 CG GLU B 34 29.218 35.773 66.650 1.00 16.79 C ATOM 1263 CD GLU B 34 29.141 34.396 67.289 1.00 29.24 C ATOM 1264 OE1 GLU B 34 29.710 34.212 68.384 1.00 23.60 O ATOM 1265 OE2 GLU B 34 28.504 33.496 66.700 1.00 24.43 O ATOM 1266 H GLU B 34 31.625 39.256 67.705 1.00 0.00 H ATOM 1267 N ASP B 35 28.415 38.712 65.574 1.00 12.34 N ATOM 1268 CA ASP B 35 27.038 39.185 65.760 1.00 12.03 C ATOM 1269 C ASP B 35 26.092 38.211 65.053 1.00 13.23 C ATOM 1270 O ASP B 35 26.488 37.122 64.627 1.00 14.73 O ATOM 1271 CB ASP B 35 26.863 40.651 65.321 1.00 14.39 C ATOM 1272 CG ASP B 35 27.065 40.884 63.831 1.00 14.34 C ATOM 1273 OD1 ASP B 35 26.994 39.935 63.023 1.00 15.13 O ATOM 1274 OD2 ASP B 35 27.250 42.072 63.477 1.00 16.50 O ATOM 1275 H ASP B 35 28.704 38.345 64.645 1.00 0.00 H ATOM 1276 N ASP B 36 24.812 38.582 64.954 1.00 16.03 N ATOM 1277 CA ASP B 36 23.849 37.653 64.381 1.00 17.89 C ATOM 1278 C ASP B 36 24.026 37.465 62.882 1.00 16.31 C ATOM 1279 O ASP B 36 23.458 36.523 62.326 1.00 19.37 O ATOM 1280 CB ASP B 36 22.418 38.119 64.676 1.00 20.34 C ATOM 1281 CG ASP B 36 22.080 39.449 64.020 1.00 30.37 C ATOM 1282 OD1 ASP B 36 22.985 40.291 63.828 1.00 33.45 O ATOM 1283 OD2 ASP B 36 20.890 39.660 63.702 1.00 45.46 O ATOM 1284 H ASP B 36 24.508 39.521 65.282 1.00 0.00 H ATOM 1285 N ARG B 37 24.830 38.305 62.223 1.00 12.78 N ATOM 1286 CA ARG B 37 24.997 38.246 60.777 1.00 15.23 C ATOM 1287 C ARG B 37 26.358 37.745 60.320 1.00 12.36 C ATOM 1288 O ARG B 37 26.474 37.289 59.177 1.00 14.52 O ATOM 1289 CB ARG B 37 24.761 39.630 60.155 1.00 14.59 C ATOM 1290 CG ARG B 37 23.307 40.071 60.143 1.00 16.48 C ATOM 1291 CD ARG B 37 23.146 41.395 59.415 1.00 19.25 C ATOM 1292 NE ARG B 37 23.658 42.519 60.197 1.00 19.86 N ATOM 1293 CZ ARG B 37 23.905 43.726 59.696 1.00 20.78 C ATOM 1294 NH1 ARG B 37 23.699 43.968 58.406 1.00 19.84 N ATOM 1295 NH2 ARG B 37 24.366 44.690 60.480 1.00 24.98 N ATOM 1296 HE ARG B 37 23.841 42.365 61.209 1.00 0.00 H ATOM 1297 HH12 ARG B 37 23.893 44.913 58.017 1.00 0.00 H ATOM 1298 HH11 ARG B 37 23.344 43.213 57.785 1.00 0.00 H ATOM 1299 HH22 ARG B 37 24.558 45.633 60.086 1.00 0.00 H ATOM 1300 HH21 ARG B 37 24.535 44.503 61.489 1.00 0.00 H ATOM 1301 H ARG B 37 25.354 39.025 62.760 1.00 0.00 H ATOM 1302 N CYS B 38 27.393 37.815 61.160 1.00 13.25 N ATOM 1303 CA CYS B 38 28.733 37.513 60.660 1.00 11.71 C ATOM 1304 C CYS B 38 29.659 37.125 61.802 1.00 12.86 C ATOM 1305 O CYS B 38 29.315 37.228 62.984 1.00 13.36 O ATOM 1306 CB CYS B 38 29.330 38.706 59.901 1.00 12.75 C ATOM 1307 SG CYS B 38 29.793 40.083 60.962 1.00 15.22 S ATOM 1308 H CYS B 38 27.248 38.080 62.155 1.00 0.00 H ATOM 1309 N LEU B 39 30.861 36.706 61.412 1.00 11.63 N ATOM 1310 CA LEU B 39 31.900 36.228 62.311 1.00 12.12 C ATOM 1311 C LEU B 39 33.248 36.658 61.744 1.00 11.45 C ATOM 1312 O LEU B 39 33.492 36.493 60.545 1.00 12.97 O ATOM 1313 CB LEU B 39 31.820 34.700 62.427 1.00 18.68 C ATOM 1314 CG LEU B 39 32.565 33.914 63.493 1.00 21.29 C ATOM 1315 CD1 LEU B 39 32.001 34.233 64.873 1.00 21.87 C ATOM 1316 CD2 LEU B 39 32.457 32.428 63.193 1.00 19.00 C ATOM 1317 H LEU B 39 31.072 36.722 60.394 1.00 0.00 H ATOM 1318 N ALA B 40 34.109 37.219 62.589 1.00 9.81 N ATOM 1319 CA ALA B 40 35.465 37.580 62.194 1.00 10.09 C ATOM 1320 C ALA B 40 36.450 36.763 63.017 1.00 13.81 C ATOM 1321 O ALA B 40 36.309 36.677 64.243 1.00 11.56 O ATOM 1322 CB ALA B 40 35.704 39.081 62.370 1.00 12.11 C ATOM 1323 H ALA B 40 33.804 37.407 63.565 1.00 0.00 H ATOM 1324 N PHE B 41 37.434 36.153 62.349 1.00 10.42 N ATOM 1325 CA PHE B 41 38.390 35.295 63.044 1.00 12.17 C ATOM 1326 C PHE B 41 39.724 35.282 62.306 1.00 12.62 C ATOM 1327 O PHE B 41 39.801 35.553 61.104 1.00 12.40 O ATOM 1328 CB PHE B 41 37.848 33.858 63.217 1.00 13.01 C ATOM 1329 CG PHE B 41 37.414 33.208 61.931 1.00 11.27 C ATOM 1330 CD1 PHE B 41 36.116 33.356 61.466 1.00 11.92 C ATOM 1331 CD2 PHE B 41 38.307 32.464 61.175 1.00 12.23 C ATOM 1332 CE1 PHE B 41 35.718 32.762 60.280 1.00 12.13 C ATOM 1333 CE2 PHE B 41 37.910 31.868 59.981 1.00 12.98 C ATOM 1334 CZ PHE B 41 36.615 32.020 59.534 1.00 12.98 C ATOM 1335 H PHE B 41 37.520 36.291 61.322 1.00 0.00 H ATOM 1336 N HIS B 42 40.779 34.946 63.042 1.00 12.27 N ATOM 1337 CA HIS B 42 42.123 34.983 62.478 1.00 12.79 C ATOM 1338 C HIS B 42 42.353 33.829 61.506 1.00 12.27 C ATOM 1339 O HIS B 42 41.877 32.710 61.712 1.00 13.05 O ATOM 1340 CB HIS B 42 43.160 34.944 63.601 1.00 10.32 C ATOM 1341 CG HIS B 42 43.181 36.179 64.442 1.00 12.48 C ATOM 1342 ND1 HIS B 42 43.891 37.308 64.091 1.00 13.72 N ATOM 1343 CD2 HIS B 42 42.568 36.469 65.615 1.00 11.92 C ATOM 1344 CE1 HIS B 42 43.718 38.238 65.013 1.00 14.23 C ATOM 1345 NE2 HIS B 42 42.915 37.755 65.948 1.00 12.81 N ATOM 1346 H HIS B 42 40.644 34.654 64.031 1.00 0.00 H ATOM 1347 N ASP B 43 43.091 34.117 60.432 1.00 10.64 N ATOM 1348 CA ASP B 43 43.423 33.127 59.415 1.00 11.43 C ATOM 1349 C ASP B 43 44.561 32.244 59.915 1.00 13.60 C ATOM 1350 O ASP B 43 45.543 32.748 60.460 1.00 16.80 O ATOM 1351 CB ASP B 43 43.832 33.840 58.120 1.00 14.34 C ATOM 1352 CG ASP B 43 43.793 32.933 56.911 1.00 12.89 C ATOM 1353 OD1 ASP B 43 44.524 31.926 56.896 1.00 14.80 O ATOM 1354 OD2 ASP B 43 43.037 33.235 55.961 1.00 15.70 O ATOM 1355 H ASP B 43 43.444 35.088 60.316 1.00 0.00 H ATOM 1356 N ILE B 44 44.433 30.926 59.723 1.00 16.53 N ATOM 1357 CA ILE B 44 45.452 30.002 60.225 1.00 14.19 C ATOM 1358 C ILE B 44 46.651 29.890 59.301 1.00 15.46 C ATOM 1359 O ILE B 44 47.621 29.202 59.644 1.00 19.23 O ATOM 1360 CB ILE B 44 44.897 28.585 60.462 1.00 20.75 C ATOM 1361 CG1 ILE B 44 44.306 28.023 59.176 1.00 19.78 C ATOM 1362 CG2 ILE B 44 43.890 28.602 61.622 1.00 25.39 C ATOM 1363 CD1 ILE B 44 43.953 26.547 59.267 1.00 32.31 C ATOM 1364 H ILE B 44 43.605 30.556 59.214 1.00 0.00 H ATOM 1365 N SER B 45 46.611 30.530 58.139 1.00 15.32 N ATOM 1366 CA SER B 45 47.757 30.617 57.232 1.00 17.03 C ATOM 1367 C SER B 45 48.002 32.087 56.917 1.00 13.63 C ATOM 1368 O SER B 45 47.791 32.538 55.786 1.00 15.18 O ATOM 1369 CB SER B 45 47.517 29.810 55.955 1.00 16.72 C ATOM 1370 OG SER B 45 47.446 28.422 56.227 1.00 20.93 O ATOM 1371 HG SER B 45 47.290 27.929 55.383 1.00 0.00 H ATOM 1372 H SER B 45 45.722 30.992 57.859 1.00 0.00 H ATOM 1373 N PRO B 46 48.438 32.867 57.906 1.00 16.15 N ATOM 1374 CA PRO B 46 48.517 34.321 57.705 1.00 14.31 C ATOM 1375 C PRO B 46 49.577 34.715 56.686 1.00 15.67 C ATOM 1376 O PRO B 46 50.687 34.179 56.668 1.00 16.60 O ATOM 1377 CB PRO B 46 48.852 34.854 59.104 1.00 16.70 C ATOM 1378 CG PRO B 46 49.553 33.697 59.784 1.00 16.54 C ATOM 1379 CD PRO B 46 48.865 32.468 59.263 1.00 14.71 C ATOM 1380 N GLN B 47 49.212 35.673 55.836 1.00 13.37 N ATOM 1381 CA GLN B 47 50.093 36.235 54.821 1.00 12.19 C ATOM 1382 C GLN B 47 50.615 37.609 55.215 1.00 12.36 C ATOM 1383 O GLN B 47 51.264 38.277 54.399 1.00 14.48 O ATOM 1384 CB GLN B 47 49.362 36.325 53.478 1.00 13.83 C ATOM 1385 CG GLN B 47 48.759 35.017 53.009 1.00 14.96 C ATOM 1386 CD GLN B 47 49.808 33.964 52.756 1.00 19.01 C ATOM 1387 OE1 GLN B 47 50.743 34.181 51.989 1.00 20.74 O ATOM 1388 NE2 GLN B 47 49.664 32.814 53.402 1.00 17.51 N ATOM 1389 HE22 GLN B 47 48.856 32.675 54.042 1.00 0.00 H ATOM 1390 HE21 GLN B 47 50.359 32.052 53.268 1.00 0.00 H ATOM 1391 H GLN B 47 48.242 36.041 55.901 1.00 0.00 H ATOM 1392 N ALA B 48 50.307 38.056 56.427 1.00 11.89 N ATOM 1393 CA ALA B 48 50.740 39.333 56.969 1.00 12.18 C ATOM 1394 C ALA B 48 50.733 39.210 58.484 1.00 14.11 C ATOM 1395 O ALA B 48 50.117 38.282 59.023 1.00 14.37 O ATOM 1396 CB ALA B 48 49.820 40.477 56.504 1.00 12.42 C ATOM 1397 H ALA B 48 49.715 37.450 57.030 1.00 0.00 H ATOM 1398 N PRO B 49 51.420 40.104 59.197 1.00 13.52 N ATOM 1399 CA PRO B 49 51.437 39.984 60.665 1.00 13.58 C ATOM 1400 C PRO B 49 50.046 39.955 61.278 1.00 13.42 C ATOM 1401 O PRO B 49 49.824 39.247 62.270 1.00 16.98 O ATOM 1402 CB PRO B 49 52.250 41.211 61.098 1.00 15.09 C ATOM 1403 CG PRO B 49 53.194 41.432 59.942 1.00 16.00 C ATOM 1404 CD PRO B 49 52.376 41.121 58.714 1.00 12.64 C ATOM 1405 N THR B 50 49.098 40.695 60.707 1.00 10.61 N ATOM 1406 CA THR B 50 47.680 40.549 61.022 1.00 10.69 C ATOM 1407 C THR B 50 46.965 40.087 59.760 1.00 13.83 C ATOM 1408 O THR B 50 47.111 40.705 58.700 1.00 12.04 O ATOM 1409 CB THR B 50 47.058 41.856 61.514 1.00 13.64 C ATOM 1410 OG1 THR B 50 47.673 42.257 62.748 1.00 16.52 O ATOM 1411 CG2 THR B 50 45.554 41.674 61.746 1.00 13.16 C ATOM 1412 HG1 THR B 50 48.643 42.391 62.604 1.00 0.00 H ATOM 1413 H THR B 50 49.380 41.409 60.005 1.00 0.00 H ATOM 1414 N HIS B 51 46.205 39.004 59.874 1.00 9.87 N ATOM 1415 CA HIS B 51 45.460 38.452 58.744 1.00 10.73 C ATOM 1416 C HIS B 51 44.234 37.758 59.314 1.00 11.55 C ATOM 1417 O HIS B 51 44.366 36.725 59.982 1.00 11.27 O ATOM 1418 CB HIS B 51 46.317 37.476 57.944 1.00 8.90 C ATOM 1419 CG HIS B 51 45.643 36.941 56.718 1.00 11.80 C ATOM 1420 ND1 HIS B 51 46.295 36.140 55.805 1.00 13.39 N ATOM 1421 CD2 HIS B 51 44.378 37.090 56.252 1.00 11.46 C ATOM 1422 CE1 HIS B 51 45.459 35.812 54.834 1.00 12.70 C ATOM 1423 NE2 HIS B 51 44.291 36.376 55.082 1.00 9.51 N ATOM 1424 H HIS B 51 46.138 38.533 60.799 1.00 0.00 H ATOM 1425 N PHE B 52 43.053 38.316 59.063 1.00 8.67 N ATOM 1426 CA PHE B 52 41.825 37.704 59.552 1.00 8.95 C ATOM 1427 C PHE B 52 40.772 37.704 58.458 1.00 10.73 C ATOM 1428 O PHE B 52 40.938 38.309 57.393 1.00 11.90 O ATOM 1429 CB PHE B 52 41.293 38.388 60.822 1.00 10.53 C ATOM 1430 CG PHE B 52 40.893 39.842 60.655 1.00 9.34 C ATOM 1431 CD1 PHE B 52 41.816 40.865 60.839 1.00 11.29 C ATOM 1432 CD2 PHE B 52 39.575 40.181 60.371 1.00 9.64 C ATOM 1433 CE1 PHE B 52 41.432 42.206 60.714 1.00 10.06 C ATOM 1434 CE2 PHE B 52 39.183 41.514 60.254 1.00 10.65 C ATOM 1435 CZ PHE B 52 40.108 42.524 60.431 1.00 10.48 C ATOM 1436 H PHE B 52 43.006 39.197 58.513 1.00 0.00 H ATOM 1437 N LEU B 53 39.688 36.991 58.739 1.00 11.20 N ATOM 1438 CA LEU B 53 38.587 36.804 57.812 1.00 9.51 C ATOM 1439 C LEU B 53 37.306 37.316 58.447 1.00 10.91 C ATOM 1440 O LEU B 53 37.108 37.181 59.658 1.00 11.06 O ATOM 1441 CB LEU B 53 38.401 35.330 57.444 1.00 12.92 C ATOM 1442 CG LEU B 53 39.628 34.608 56.898 1.00 11.98 C ATOM 1443 CD1 LEU B 53 39.290 33.178 56.520 1.00 20.63 C ATOM 1444 CD2 LEU B 53 40.190 35.364 55.705 1.00 16.35 C ATOM 1445 H LEU B 53 39.624 36.542 59.675 1.00 0.00 H ATOM 1446 N VAL B 54 36.439 37.901 57.627 1.00 9.15 N ATOM 1447 CA VAL B 54 35.074 38.235 58.025 1.00 9.36 C ATOM 1448 C VAL B 54 34.129 37.475 57.102 1.00 11.32 C ATOM 1449 O VAL B 54 34.215 37.604 55.873 1.00 11.34 O ATOM 1450 CB VAL B 54 34.802 39.750 57.976 1.00 11.23 C ATOM 1451 CG1 VAL B 54 33.481 40.078 58.681 1.00 11.95 C ATOM 1452 CG2 VAL B 54 35.948 40.542 58.607 1.00 10.74 C ATOM 1453 H VAL B 54 36.746 38.131 56.660 1.00 0.00 H ATOM 1454 N ILE B 55 33.236 36.677 57.689 1.00 11.76 N ATOM 1455 CA ILE B 55 32.378 35.809 56.890 1.00 12.31 C ATOM 1456 C ILE B 55 30.928 35.988 57.317 1.00 13.22 C ATOM 1457 O ILE B 55 30.651 36.223 58.505 1.00 12.93 O ATOM 1458 CB ILE B 55 32.807 34.333 56.973 1.00 11.92 C ATOM 1459 CG1 ILE B 55 32.343 33.662 58.261 1.00 14.51 C ATOM 1460 CG2 ILE B 55 34.316 34.200 56.899 1.00 15.07 C ATOM 1461 CD1 ILE B 55 32.631 32.167 58.282 1.00 15.90 C ATOM 1462 H ILE B 55 33.151 36.674 58.725 1.00 0.00 H ATOM 1463 N PRO B 56 29.982 35.909 56.387 1.00 11.86 N ATOM 1464 CA PRO B 56 28.573 35.900 56.779 1.00 11.98 C ATOM 1465 C PRO B 56 28.194 34.554 57.367 1.00 11.68 C ATOM 1466 O PRO B 56 28.760 33.517 57.011 1.00 12.21 O ATOM 1467 CB PRO B 56 27.840 36.151 55.457 1.00 15.12 C ATOM 1468 CG PRO B 56 28.734 35.510 54.432 1.00 14.14 C ATOM 1469 CD PRO B 56 30.155 35.746 54.929 1.00 11.84 C ATOM 1470 N LYS B 57 27.221 34.581 58.284 1.00 14.22 N ATOM 1471 CA LYS B 57 26.672 33.328 58.788 1.00 12.75 C ATOM 1472 C LYS B 57 25.788 32.653 57.746 1.00 15.69 C ATOM 1473 O LYS B 57 25.726 31.419 57.695 1.00 18.16 O ATOM 1474 CB LYS B 57 25.908 33.582 60.087 1.00 12.52 C ATOM 1475 CG LYS B 57 26.852 33.927 61.231 1.00 15.03 C ATOM 1476 CD LYS B 57 26.128 34.069 62.556 1.00 14.48 C ATOM 1477 CE LYS B 57 27.131 34.166 63.685 1.00 16.31 C ATOM 1478 NZ LYS B 57 26.429 34.334 64.985 1.00 18.31 N ATOM 1479 HZ1 LYS B 57 25.859 35.204 64.960 1.00 0.00 H ATOM 1480 HZ2 LYS B 57 25.808 33.516 65.151 1.00 0.00 H ATOM 1481 HZ3 LYS B 57 27.130 34.399 65.750 1.00 0.00 H ATOM 1482 H LYS B 57 26.858 35.490 58.635 1.00 0.00 H ATOM 1483 N LYS B 58 25.123 33.440 56.899 1.00 14.12 N ATOM 1484 CA LYS B 58 24.386 32.900 55.760 1.00 18.21 C ATOM 1485 C LYS B 58 25.350 32.283 54.753 1.00 18.86 C ATOM 1486 O LYS B 58 26.361 32.897 54.395 1.00 16.31 O ATOM 1487 CB LYS B 58 23.576 34.017 55.101 1.00 17.47 C ATOM 1488 CG LYS B 58 22.785 33.603 53.871 1.00 20.49 C ATOM 1489 CD LYS B 58 22.051 34.789 53.258 1.00 18.83 C ATOM 1490 CE LYS B 58 21.337 34.376 51.976 1.00 28.26 C ATOM 1491 NZ LYS B 58 20.672 35.521 51.297 1.00 27.26 N ATOM 1492 HZ1 LYS B 58 19.966 35.939 51.936 1.00 0.00 H ATOM 1493 HZ2 LYS B 58 21.384 36.237 51.050 1.00 0.00 H ATOM 1494 HZ3 LYS B 58 20.203 35.184 50.432 1.00 0.00 H ATOM 1495 H LYS B 58 25.130 34.468 57.054 1.00 0.00 H ATOM 1496 N HIS B 59 25.046 31.072 54.284 1.00 19.70 N ATOM 1497 CA HIS B 59 25.933 30.416 53.325 1.00 17.69 C ATOM 1498 C HIS B 59 25.670 30.952 51.923 1.00 21.41 C ATOM 1499 O HIS B 59 24.684 30.594 51.271 1.00 21.51 O ATOM 1500 CB HIS B 59 25.781 28.900 53.344 1.00 21.63 C ATOM 1501 CG HIS B 59 26.768 28.201 52.459 1.00 21.06 C ATOM 1502 ND1 HIS B 59 26.580 26.919 51.989 1.00 34.98 N ATOM 1503 CD2 HIS B 59 27.954 28.616 51.953 1.00 19.69 C ATOM 1504 CE1 HIS B 59 27.607 26.575 51.233 1.00 33.22 C ATOM 1505 NE2 HIS B 59 28.455 27.587 51.193 1.00 23.19 N ATOM 1506 H HIS B 59 24.178 30.595 54.601 1.00 0.00 H ATOM 1507 N ILE B 60 26.568 31.812 51.464 1.00 15.15 N ATOM 1508 CA ILE B 60 26.687 32.202 50.067 1.00 15.99 C ATOM 1509 C ILE B 60 27.991 31.595 49.573 1.00 17.16 C ATOM 1510 O ILE B 60 29.034 31.789 50.205 1.00 15.42 O ATOM 1511 CB ILE B 60 26.688 33.734 49.916 1.00 15.32 C ATOM 1512 CG1 ILE B 60 25.490 34.358 50.636 1.00 17.99 C ATOM 1513 CG2 ILE B 60 26.727 34.136 48.442 1.00 17.49 C ATOM 1514 CD1 ILE B 60 25.522 35.882 50.693 1.00 21.96 C ATOM 1515 H ILE B 60 27.230 32.235 52.146 1.00 0.00 H ATOM 1516 N SER B 61 27.937 30.825 48.480 1.00 15.86 N ATOM 1517 CA SER B 61 29.112 30.038 48.102 1.00 15.84 C ATOM 1518 C SER B 61 30.236 30.919 47.563 1.00 15.98 C ATOM 1519 O SER B 61 31.419 30.635 47.784 1.00 16.16 O ATOM 1520 CB SER B 61 28.735 28.974 47.072 1.00 20.15 C ATOM 1521 OG SER B 61 28.318 29.553 45.847 1.00 21.76 O ATOM 1522 HG SER B 61 28.083 28.835 45.207 1.00 0.00 H ATOM 1523 H SER B 61 27.071 30.786 47.906 1.00 0.00 H ATOM 1524 N GLN B 62 29.889 31.983 46.851 1.00 15.68 N ATOM 1525 CA GLN B 62 30.896 32.842 46.253 1.00 16.28 C ATOM 1526 C GLN B 62 30.223 34.150 45.884 1.00 16.95 C ATOM 1527 O GLN B 62 29.000 34.218 45.730 1.00 18.74 O ATOM 1528 CB GLN B 62 31.540 32.180 45.034 1.00 19.56 C ATOM 1529 CG GLN B 62 30.542 31.776 43.970 1.00 16.27 C ATOM 1530 CD GLN B 62 30.964 30.515 43.249 1.00 26.12 C ATOM 1531 OE1 GLN B 62 30.496 29.420 43.568 1.00 33.27 O ATOM 1532 NE2 GLN B 62 31.846 30.657 42.274 1.00 22.89 N ATOM 1533 HE22 GLN B 62 32.214 31.601 42.039 1.00 0.00 H ATOM 1534 HE21 GLN B 62 32.172 29.825 41.742 1.00 0.00 H ATOM 1535 H GLN B 62 28.882 32.205 46.719 1.00 0.00 H ATOM 1536 N ILE B 63 31.039 35.199 45.761 1.00 14.68 N ATOM 1537 CA ILE B 63 30.479 36.525 45.525 1.00 17.99 C ATOM 1538 C ILE B 63 29.718 36.584 44.199 1.00 17.51 C ATOM 1539 O ILE B 63 28.755 37.346 44.073 1.00 16.56 O ATOM 1540 CB ILE B 63 31.595 37.592 45.617 1.00 16.72 C ATOM 1541 CG1 ILE B 63 30.991 38.984 45.770 1.00 24.03 C ATOM 1542 CG2 ILE B 63 32.509 37.543 44.407 1.00 18.35 C ATOM 1543 CD1 ILE B 63 30.217 39.137 47.034 1.00 26.52 C ATOM 1544 H ILE B 63 32.069 35.072 45.833 1.00 0.00 H ATOM 1545 N SER B 64 30.095 35.761 43.207 1.00 14.64 N ATOM 1546 CA SER B 64 29.419 35.817 41.909 1.00 15.76 C ATOM 1547 C SER B 64 27.971 35.332 41.942 1.00 18.41 C ATOM 1548 O SER B 64 27.240 35.593 40.984 1.00 19.17 O ATOM 1549 CB SER B 64 30.196 35.013 40.858 1.00 18.51 C ATOM 1550 OG SER B 64 30.221 33.627 41.168 1.00 17.06 O ATOM 1551 HG SER B 64 30.729 33.143 40.470 1.00 0.00 H ATOM 1552 H SER B 64 30.868 35.083 43.361 1.00 0.00 H ATOM 1553 N VAL B 65 27.527 34.649 42.996 1.00 15.70 N ATOM 1554 CA VAL B 65 26.131 34.227 43.082 1.00 17.73 C ATOM 1555 C VAL B 65 25.373 34.973 44.174 1.00 18.91 C ATOM 1556 O VAL B 65 24.239 34.602 44.499 1.00 18.29 O ATOM 1557 CB VAL B 65 26.005 32.706 43.271 1.00 20.96 C ATOM 1558 CG1 VAL B 65 26.721 31.968 42.145 1.00 24.85 C ATOM 1559 CG2 VAL B 65 26.518 32.280 44.637 1.00 16.41 C ATOM 1560 H VAL B 65 28.183 34.413 43.768 1.00 0.00 H ATOM 1561 N ALA B 66 25.959 36.022 44.745 1.00 15.58 N ATOM 1562 CA ALA B 66 25.247 36.818 45.736 1.00 15.63 C ATOM 1563 C ALA B 66 24.035 37.489 45.098 1.00 19.78 C ATOM 1564 O ALA B 66 24.088 37.935 43.951 1.00 19.55 O ATOM 1565 CB ALA B 66 26.177 37.868 46.347 1.00 16.02 C ATOM 1566 H ALA B 66 26.933 36.276 44.482 1.00 0.00 H ATOM 1567 N GLU B 67 22.935 37.557 45.844 1.00 18.91 N ATOM 1568 CA GLU B 67 21.723 38.194 45.351 1.00 19.73 C ATOM 1569 C GLU B 67 21.731 39.682 45.679 1.00 17.38 C ATOM 1570 O GLU B 67 22.440 40.138 46.577 1.00 18.28 O ATOM 1571 CB GLU B 67 20.483 37.528 45.948 1.00 24.32 C ATOM 1572 CG GLU B 67 20.471 36.017 45.803 1.00 30.03 C ATOM 1573 CD GLU B 67 19.398 35.363 46.650 1.00 45.73 C ATOM 1574 OE1 GLU B 67 18.202 35.591 46.370 1.00 56.60 O ATOM 1575 OE2 GLU B 67 19.750 34.638 47.605 1.00 48.60 O ATOM 1576 H GLU B 67 22.942 37.146 46.799 1.00 0.00 H ATOM 1577 N ASP B 68 20.921 40.445 44.933 1.00 18.08 N ATOM 1578 CA ASP B 68 20.831 41.882 45.182 1.00 15.64 C ATOM 1579 C ASP B 68 20.466 42.173 46.631 1.00 19.43 C ATOM 1580 O ASP B 68 20.939 43.161 47.207 1.00 19.78 O ATOM 1581 CB ASP B 68 19.801 42.525 44.242 1.00 18.54 C ATOM 1582 CG ASP B 68 20.233 42.510 42.781 1.00 24.56 C ATOM 1583 OD1 ASP B 68 21.319 41.985 42.466 1.00 24.78 O ATOM 1584 OD2 ASP B 68 19.462 43.017 41.937 1.00 27.74 O ATOM 1585 H ASP B 68 20.355 40.013 44.175 1.00 0.00 H ATOM 1586 N ASP B 69 19.650 41.312 47.241 1.00 21.29 N ATOM 1587 CA ASP B 69 19.221 41.477 48.624 1.00 21.39 C ATOM 1588 C ASP B 69 20.345 41.232 49.624 1.00 21.08 C ATOM 1589 O ASP B 69 20.186 41.578 50.801 1.00 22.87 O ATOM 1590 CB ASP B 69 18.047 40.530 48.903 1.00 26.35 C ATOM 1591 CG ASP B 69 17.458 40.714 50.285 1.00 48.10 C ATOM 1592 OD1 ASP B 69 16.772 41.734 50.508 1.00 59.47 O ATOM 1593 OD2 ASP B 69 17.678 39.836 51.149 1.00 54.54 O ATOM 1594 H ASP B 69 19.306 40.489 46.707 1.00 0.00 H ATOM 1595 N ASP B 70 21.465 40.643 49.188 1.00 17.74 N ATOM 1596 CA ASP B 70 22.636 40.425 50.034 1.00 16.47 C ATOM 1597 C ASP B 70 23.505 41.669 50.177 1.00 18.16 C ATOM 1598 O ASP B 70 24.529 41.625 50.862 1.00 15.23 O ATOM 1599 CB ASP B 70 23.482 39.280 49.470 1.00 18.87 C ATOM 1600 CG ASP B 70 22.825 37.917 49.630 1.00 20.03 C ATOM 1601 OD1 ASP B 70 22.165 37.677 50.667 1.00 21.43 O ATOM 1602 OD2 ASP B 70 22.982 37.074 48.720 1.00 19.61 O ATOM 1603 H ASP B 70 21.504 40.325 48.199 1.00 0.00 H ATOM 1604 N GLU B 71 23.107 42.776 49.563 1.00 15.50 N ATOM 1605 CA GLU B 71 23.935 43.975 49.520 1.00 16.65 C ATOM 1606 C GLU B 71 24.287 44.487 50.918 1.00 15.77 C ATOM 1607 O GLU B 71 25.451 44.781 51.213 1.00 17.19 O ATOM 1608 CB GLU B 71 23.185 45.024 48.712 1.00 21.86 C ATOM 1609 CG GLU B 71 23.925 46.257 48.412 1.00 21.33 C ATOM 1610 CD GLU B 71 23.194 47.080 47.379 1.00 21.24 C ATOM 1611 OE1 GLU B 71 23.252 46.733 46.171 1.00 21.13 O ATOM 1612 OE2 GLU B 71 22.551 48.060 47.794 1.00 24.39 O ATOM 1613 H GLU B 71 22.177 42.789 49.099 1.00 0.00 H ATOM 1614 N SER B 72 23.296 44.603 51.799 1.00 16.08 N ATOM 1615 CA SER B 72 23.581 45.127 53.129 1.00 14.94 C ATOM 1616 C SER B 72 24.492 44.187 53.911 1.00 15.25 C ATOM 1617 O SER B 72 25.371 44.648 54.653 1.00 14.31 O ATOM 1618 CB SER B 72 22.275 45.384 53.880 1.00 19.81 C ATOM 1619 OG SER B 72 21.514 46.375 53.210 1.00 20.51 O ATOM 1620 HG SER B 72 21.306 46.066 52.293 1.00 0.00 H ATOM 1621 H SER B 72 22.328 44.323 51.541 1.00 0.00 H ATOM 1622 N LEU B 73 24.320 42.874 53.738 1.00 16.08 N ATOM 1623 CA LEU B 73 25.166 41.903 54.423 1.00 13.26 C ATOM 1624 C LEU B 73 26.615 42.030 53.978 1.00 11.54 C ATOM 1625 O LEU B 73 27.536 42.008 54.808 1.00 13.88 O ATOM 1626 CB LEU B 73 24.642 40.491 54.162 1.00 14.83 C ATOM 1627 CG LEU B 73 25.475 39.308 54.666 1.00 16.74 C ATOM 1628 CD1 LEU B 73 25.631 39.383 56.177 1.00 17.20 C ATOM 1629 CD2 LEU B 73 24.823 37.990 54.250 1.00 17.69 C ATOM 1630 H LEU B 73 23.569 42.537 53.103 1.00 0.00 H ATOM 1631 N LEU B 74 26.837 42.170 52.667 1.00 12.75 N ATOM 1632 CA LEU B 74 28.201 42.312 52.162 1.00 11.61 C ATOM 1633 C LEU B 74 28.856 43.582 52.691 1.00 11.70 C ATOM 1634 O LEU B 74 30.026 43.564 53.097 1.00 10.80 O ATOM 1635 CB LEU B 74 28.201 42.300 50.632 1.00 12.21 C ATOM 1636 CG LEU B 74 27.742 40.979 50.016 1.00 13.23 C ATOM 1637 CD1 LEU B 74 27.612 41.115 48.506 1.00 18.29 C ATOM 1638 CD2 LEU B 74 28.671 39.823 50.384 1.00 16.63 C ATOM 1639 H LEU B 74 26.036 42.178 52.004 1.00 0.00 H ATOM 1640 N GLY B 75 28.121 44.698 52.691 1.00 10.69 N ATOM 1641 CA GLY B 75 28.653 45.915 53.277 1.00 12.73 C ATOM 1642 C GLY B 75 28.953 45.761 54.756 1.00 10.79 C ATOM 1643 O GLY B 75 29.921 46.327 55.264 1.00 11.63 O ATOM 1644 H GLY B 75 27.169 44.695 52.272 1.00 0.00 H ATOM 1645 N HIS B 76 28.117 44.997 55.464 1.00 12.59 N ATOM 1646 CA HIS B 76 28.362 44.739 56.878 1.00 12.59 C ATOM 1647 C HIS B 76 29.699 44.039 57.089 1.00 12.36 C ATOM 1648 O HIS B 76 30.415 44.337 58.053 1.00 11.53 O ATOM 1649 CB HIS B 76 27.215 43.910 57.466 1.00 13.64 C ATOM 1650 CG HIS B 76 27.276 43.779 58.961 1.00 14.20 C ATOM 1651 ND1 HIS B 76 27.296 44.872 59.798 1.00 17.45 N ATOM 1652 CD2 HIS B 76 27.324 42.688 59.763 1.00 13.82 C ATOM 1653 CE1 HIS B 76 27.352 44.462 61.055 1.00 18.04 C ATOM 1654 NE2 HIS B 76 27.372 43.142 61.059 1.00 13.54 N ATOM 1655 H HIS B 76 27.283 44.582 55.002 1.00 0.00 H ATOM 1656 N LEU B 77 30.054 43.109 56.196 1.00 11.91 N ATOM 1657 CA LEU B 77 31.356 42.455 56.295 1.00 10.87 C ATOM 1658 C LEU B 77 32.481 43.476 56.231 1.00 9.79 C ATOM 1659 O LEU B 77 33.469 43.373 56.965 1.00 10.86 O ATOM 1660 CB LEU B 77 31.524 41.432 55.173 1.00 12.10 C ATOM 1661 CG LEU B 77 30.451 40.355 55.012 1.00 11.64 C ATOM 1662 CD1 LEU B 77 30.855 39.396 53.924 1.00 13.04 C ATOM 1663 CD2 LEU B 77 30.257 39.605 56.318 1.00 13.90 C ATOM 1664 H LEU B 77 29.401 42.851 55.429 1.00 0.00 H ATOM 1665 N MET B 78 32.357 44.466 55.340 1.00 11.10 N ATOM 1666 CA MET B 78 33.407 45.472 55.215 1.00 12.10 C ATOM 1667 C MET B 78 33.434 46.401 56.422 1.00 10.55 C ATOM 1668 O MET B 78 34.513 46.792 56.889 1.00 12.45 O ATOM 1669 CB MET B 78 33.212 46.271 53.930 1.00 12.64 C ATOM 1670 CG MET B 78 34.236 45.970 52.865 1.00 17.05 C ATOM 1671 SD MET B 78 33.769 46.802 51.339 1.00 20.14 S ATOM 1672 CE MET B 78 32.100 46.153 51.137 1.00 4.75 C ATOM 1673 H MET B 78 31.512 44.519 54.736 1.00 0.00 H ATOM 1674 N ILE B 79 32.260 46.773 56.940 1.00 12.32 N ATOM 1675 CA ILE B 79 32.227 47.618 58.132 1.00 11.18 C ATOM 1676 C ILE B 79 32.803 46.877 59.332 1.00 13.02 C ATOM 1677 O ILE B 79 33.585 47.439 60.108 1.00 13.27 O ATOM 1678 CB ILE B 79 30.794 48.109 58.404 1.00 11.46 C ATOM 1679 CG1 ILE B 79 30.360 49.102 57.326 1.00 14.09 C ATOM 1680 CG2 ILE B 79 30.701 48.756 59.795 1.00 16.97 C ATOM 1681 CD1 ILE B 79 31.154 50.384 57.335 1.00 15.28 C ATOM 1682 H ILE B 79 31.372 46.462 56.496 1.00 0.00 H ATOM 1683 N VAL B 80 32.422 45.612 59.514 1.00 11.60 N ATOM 1684 CA VAL B 80 33.011 44.824 60.594 1.00 12.04 C ATOM 1685 C VAL B 80 34.514 44.683 60.385 1.00 12.89 C ATOM 1686 O VAL B 80 35.305 44.782 61.338 1.00 13.96 O ATOM 1687 CB VAL B 80 32.314 43.454 60.694 1.00 11.17 C ATOM 1688 CG1 VAL B 80 33.134 42.490 61.559 1.00 12.88 C ATOM 1689 CG2 VAL B 80 30.882 43.611 61.221 1.00 12.22 C ATOM 1690 H VAL B 80 31.707 45.188 58.889 1.00 0.00 H ATOM 1691 N GLY B 81 34.933 44.468 59.135 1.00 11.23 N ATOM 1692 CA GLY B 81 36.354 44.359 58.846 1.00 11.92 C ATOM 1693 C GLY B 81 37.135 45.588 59.266 1.00 12.23 C ATOM 1694 O GLY B 81 38.194 45.482 59.889 1.00 11.28 O ATOM 1695 H GLY B 81 34.240 44.378 58.365 1.00 0.00 H ATOM 1696 N LYS B 82 36.629 46.779 58.938 1.00 10.28 N ATOM 1697 CA LYS B 82 37.413 47.960 59.284 1.00 13.55 C ATOM 1698 C LYS B 82 37.368 48.245 60.785 1.00 13.74 C ATOM 1699 O LYS B 82 38.356 48.728 61.346 1.00 14.92 O ATOM 1700 CB LYS B 82 36.955 49.164 58.456 1.00 18.37 C ATOM 1701 CG LYS B 82 35.609 49.719 58.798 1.00 16.95 C ATOM 1702 CD LYS B 82 35.741 51.010 59.570 1.00 20.07 C ATOM 1703 CE LYS B 82 34.389 51.663 59.774 1.00 27.96 C ATOM 1704 NZ LYS B 82 34.450 52.665 60.873 1.00 27.43 N ATOM 1705 HZ1 LYS B 82 34.733 52.193 61.756 1.00 0.00 H ATOM 1706 HZ2 LYS B 82 35.146 53.399 60.633 1.00 0.00 H ATOM 1707 HZ3 LYS B 82 33.514 53.100 60.996 1.00 0.00 H ATOM 1708 H LYS B 82 35.712 46.862 58.455 1.00 0.00 H ATOM 1709 N LYS B 83 36.265 47.905 61.462 1.00 13.22 N ATOM 1710 CA LYS B 83 36.224 48.072 62.912 1.00 13.33 C ATOM 1711 C LYS B 83 37.177 47.107 63.602 1.00 14.76 C ATOM 1712 O LYS B 83 37.903 47.499 64.525 1.00 15.41 O ATOM 1713 CB LYS B 83 34.794 47.884 63.419 1.00 14.48 C ATOM 1714 CG LYS B 83 33.888 49.057 63.074 1.00 19.43 C ATOM 1715 CD LYS B 83 32.469 48.855 63.578 1.00 24.60 C ATOM 1716 CE LYS B 83 31.585 50.017 63.152 1.00 24.94 C ATOM 1717 NZ LYS B 83 30.207 49.889 63.703 1.00 31.08 N ATOM 1718 HZ1 LYS B 83 29.778 49.006 63.359 1.00 0.00 H ATOM 1719 HZ2 LYS B 83 30.251 49.873 64.742 1.00 0.00 H ATOM 1720 HZ3 LYS B 83 29.634 50.699 63.391 1.00 0.00 H ATOM 1721 H LYS B 83 35.440 47.523 60.957 1.00 0.00 H ATOM 1722 N CYS B 84 37.205 45.847 63.159 1.00 11.54 N ATOM 1723 CA CYS B 84 38.158 44.890 63.717 1.00 13.48 C ATOM 1724 C CYS B 84 39.597 45.316 63.458 1.00 15.11 C ATOM 1725 O CYS B 84 40.469 45.124 64.315 1.00 12.92 O ATOM 1726 CB CYS B 84 37.919 43.496 63.138 1.00 11.65 C ATOM 1727 SG CYS B 84 36.392 42.698 63.692 1.00 14.66 S ATOM 1728 H CYS B 84 36.545 45.546 62.413 1.00 0.00 H ATOM 1729 N ALA B 85 39.878 45.859 62.266 1.00 12.70 N ATOM 1730 CA ALA B 85 41.238 46.299 61.968 1.00 10.83 C ATOM 1731 C ALA B 85 41.676 47.398 62.923 1.00 14.48 C ATOM 1732 O ALA B 85 42.820 47.403 63.396 1.00 12.34 O ATOM 1733 CB ALA B 85 41.333 46.773 60.514 1.00 10.56 C ATOM 1734 H ALA B 85 39.128 45.967 61.554 1.00 0.00 H ATOM 1735 N ALA B 86 40.777 48.333 63.228 1.00 16.14 N ATOM 1736 CA ALA B 86 41.091 49.377 64.198 1.00 14.85 C ATOM 1737 C ALA B 86 41.322 48.788 65.589 1.00 16.58 C ATOM 1738 O ALA B 86 42.281 49.166 66.280 1.00 18.34 O ATOM 1739 CB ALA B 86 39.969 50.414 64.225 1.00 14.77 C ATOM 1740 H ALA B 86 39.843 48.319 62.771 1.00 0.00 H ATOM 1741 N ASP B 87 40.470 47.845 66.005 1.00 15.83 N ATOM 1742 CA ASP B 87 40.611 47.242 67.331 1.00 17.52 C ATOM 1743 C ASP B 87 41.910 46.458 67.454 1.00 19.75 C ATOM 1744 O ASP B 87 42.474 46.361 68.551 1.00 20.00 O ATOM 1745 CB ASP B 87 39.420 46.330 67.641 1.00 21.84 C ATOM 1746 CG ASP B 87 38.116 47.097 67.795 1.00 26.42 C ATOM 1747 OD1 ASP B 87 38.162 48.342 67.915 1.00 32.99 O ATOM 1748 OD2 ASP B 87 37.044 46.451 67.802 1.00 37.31 O ATOM 1749 H ASP B 87 39.699 47.537 65.379 1.00 0.00 H ATOM 1750 N LEU B 88 42.404 45.904 66.351 1.00 15.68 N ATOM 1751 CA LEU B 88 43.649 45.149 66.347 1.00 15.90 C ATOM 1752 C LEU B 88 44.879 46.030 66.137 1.00 15.19 C ATOM 1753 O LEU B 88 45.988 45.498 66.035 1.00 22.51 O ATOM 1754 CB LEU B 88 43.598 44.057 65.270 1.00 14.18 C ATOM 1755 CG LEU B 88 42.612 42.914 65.542 1.00 15.05 C ATOM 1756 CD1 LEU B 88 42.401 42.032 64.322 1.00 14.58 C ATOM 1757 CD2 LEU B 88 43.084 42.068 66.713 1.00 17.07 C ATOM 1758 H LEU B 88 41.882 46.014 65.458 1.00 0.00 H ATOM 1759 N GLY B 89 44.703 47.349 66.057 1.00 16.78 N ATOM 1760 CA GLY B 89 45.816 48.280 66.010 1.00 19.20 C ATOM 1761 C GLY B 89 46.430 48.548 64.652 1.00 20.66 C ATOM 1762 O GLY B 89 47.582 48.987 64.590 1.00 20.57 O ATOM 1763 H GLY B 89 43.734 47.725 66.027 1.00 0.00 H ATOM 1764 N LEU B 90 45.701 48.323 63.557 1.00 16.29 N ATOM 1765 CA LEU B 90 46.250 48.525 62.211 1.00 15.49 C ATOM 1766 C LEU B 90 46.065 49.979 61.768 1.00 23.16 C ATOM 1767 O LEU B 90 45.359 50.290 60.805 1.00 22.70 O ATOM 1768 CB LEU B 90 45.600 47.568 61.220 1.00 13.55 C ATOM 1769 CG LEU B 90 45.668 46.081 61.548 1.00 14.19 C ATOM 1770 CD1 LEU B 90 44.998 45.263 60.456 1.00 18.50 C ATOM 1771 CD2 LEU B 90 47.125 45.674 61.710 1.00 19.01 C ATOM 1772 H LEU B 90 44.719 47.996 63.660 1.00 0.00 H ATOM 1773 N ASN B 91 46.748 50.882 62.477 1.00 16.02 N ATOM 1774 CA ASN B 91 46.571 52.300 62.186 1.00 15.35 C ATOM 1775 C ASN B 91 47.399 52.786 61.002 1.00 17.25 C ATOM 1776 O ASN B 91 47.229 53.937 60.589 1.00 20.42 O ATOM 1777 CB ASN B 91 46.886 53.158 63.420 1.00 18.49 C ATOM 1778 CG ASN B 91 48.223 52.830 64.045 1.00 21.77 C ATOM 1779 OD1 ASN B 91 49.101 52.247 63.412 1.00 31.49 O ATOM 1780 ND2 ASN B 91 48.388 53.216 65.305 1.00 42.84 N ATOM 1781 HD22 ASN B 91 47.618 53.707 65.804 1.00 0.00 H ATOM 1782 HD21 ASN B 91 49.287 53.028 65.793 1.00 0.00 H ATOM 1783 H ASN B 91 47.399 50.577 63.228 1.00 0.00 H ATOM 1784 N LYS B 92 48.273 51.952 60.443 1.00 13.94 N ATOM 1785 CA LYS B 92 49.037 52.317 59.260 1.00 15.80 C ATOM 1786 C LYS B 92 48.389 51.840 57.971 1.00 15.69 C ATOM 1787 O LYS B 92 48.899 52.147 56.889 1.00 15.73 O ATOM 1788 CB LYS B 92 50.460 51.760 59.354 1.00 16.69 C ATOM 1789 CG LYS B 92 51.300 52.397 60.448 1.00 24.04 C ATOM 1790 CD LYS B 92 52.577 51.603 60.682 1.00 31.37 C ATOM 1791 CE LYS B 92 53.373 51.413 59.399 1.00 35.68 C ATOM 1792 NZ LYS B 92 53.940 52.691 58.878 1.00 44.19 N ATOM 1793 HZ1 LYS B 92 53.166 53.356 58.678 1.00 0.00 H ATOM 1794 HZ2 LYS B 92 54.576 53.102 59.590 1.00 0.00 H ATOM 1795 HZ3 LYS B 92 54.471 52.502 58.004 1.00 0.00 H ATOM 1796 H LYS B 92 48.414 51.012 60.864 1.00 0.00 H ATOM 1797 N GLY B 93 47.301 51.090 58.059 1.00 12.99 N ATOM 1798 CA GLY B 93 46.557 50.652 56.898 1.00 13.79 C ATOM 1799 C GLY B 93 46.470 49.140 56.781 1.00 12.35 C ATOM 1800 O GLY B 93 47.011 48.379 57.585 1.00 12.65 O ATOM 1801 H GLY B 93 46.968 50.804 59.002 1.00 0.00 H ATOM 1802 N TYR B 94 45.768 48.715 55.736 1.00 10.53 N ATOM 1803 CA TYR B 94 45.473 47.301 55.546 1.00 8.27 C ATOM 1804 C TYR B 94 44.859 47.131 54.165 1.00 9.28 C ATOM 1805 O TYR B 94 44.534 48.111 53.487 1.00 9.26 O ATOM 1806 CB TYR B 94 44.528 46.763 56.636 1.00 9.92 C ATOM 1807 CG TYR B 94 43.308 47.622 56.908 1.00 9.72 C ATOM 1808 CD1 TYR B 94 42.163 47.503 56.128 1.00 10.33 C ATOM 1809 CD2 TYR B 94 43.302 48.556 57.943 1.00 12.65 C ATOM 1810 CE1 TYR B 94 41.037 48.286 56.376 1.00 13.03 C ATOM 1811 CE2 TYR B 94 42.178 49.347 58.198 1.00 10.74 C ATOM 1812 CZ TYR B 94 41.056 49.203 57.416 1.00 11.56 C ATOM 1813 OH TYR B 94 39.959 49.995 57.668 1.00 13.86 O ATOM 1814 HH TYR B 94 39.641 49.832 58.591 1.00 0.00 H ATOM 1815 H TYR B 94 45.422 49.406 55.040 1.00 0.00 H ATOM 1816 N ARG B 95 44.706 45.870 53.765 1.00 7.92 N ATOM 1817 CA ARG B 95 44.109 45.503 52.492 1.00 8.29 C ATOM 1818 C ARG B 95 42.969 44.521 52.731 1.00 8.50 C ATOM 1819 O ARG B 95 43.111 43.572 53.514 1.00 10.46 O ATOM 1820 CB ARG B 95 45.171 44.896 51.560 1.00 8.84 C ATOM 1821 CG ARG B 95 44.595 44.401 50.219 1.00 8.79 C ATOM 1822 CD ARG B 95 45.688 44.171 49.185 1.00 9.72 C ATOM 1823 NE ARG B 95 46.343 45.433 48.854 1.00 9.32 N ATOM 1824 CZ ARG B 95 47.539 45.519 48.278 1.00 9.84 C ATOM 1825 NH1 ARG B 95 48.213 44.418 47.974 1.00 9.04 N ATOM 1826 NH2 ARG B 95 48.071 46.709 48.028 1.00 9.63 N ATOM 1827 HE ARG B 95 45.845 46.317 49.082 1.00 0.00 H ATOM 1828 HH12 ARG B 95 49.148 44.488 47.524 1.00 0.00 H ATOM 1829 HH11 ARG B 95 47.807 43.484 48.186 1.00 0.00 H ATOM 1830 HH22 ARG B 95 49.006 46.776 47.578 1.00 0.00 H ATOM 1831 HH21 ARG B 95 47.553 47.574 48.282 1.00 0.00 H ATOM 1832 H ARG B 95 45.030 45.109 54.396 1.00 0.00 H ATOM 1833 N MET B 96 41.834 44.756 52.073 1.00 9.05 N ATOM 1834 CA MET B 96 40.715 43.825 52.084 1.00 8.35 C ATOM 1835 C MET B 96 40.648 43.111 50.742 1.00 7.99 C ATOM 1836 O MET B 96 40.818 43.743 49.695 1.00 9.56 O ATOM 1837 CB MET B 96 39.400 44.556 52.346 1.00 9.63 C ATOM 1838 CG MET B 96 39.390 45.310 53.654 1.00 12.22 C ATOM 1839 SD MET B 96 37.828 46.208 53.814 1.00 14.52 S ATOM 1840 CE MET B 96 37.704 46.365 55.597 1.00 18.63 C ATOM 1841 H MET B 96 41.744 45.639 51.531 1.00 0.00 H ATOM 1842 N VAL B 97 40.386 41.801 50.759 1.00 8.17 N ATOM 1843 CA VAL B 97 40.423 40.974 49.550 1.00 6.80 C ATOM 1844 C VAL B 97 39.251 39.995 49.551 1.00 9.10 C ATOM 1845 O VAL B 97 38.963 39.369 50.575 1.00 10.19 O ATOM 1846 CB VAL B 97 41.747 40.188 49.435 1.00 8.29 C ATOM 1847 CG1 VAL B 97 41.751 39.330 48.175 1.00 10.49 C ATOM 1848 CG2 VAL B 97 42.968 41.122 49.477 1.00 9.21 C ATOM 1849 H VAL B 97 40.147 41.351 51.665 1.00 0.00 H ATOM 1850 N VAL B 98 38.595 39.842 48.397 1.00 10.98 N ATOM 1851 CA VAL B 98 37.639 38.761 48.146 1.00 9.82 C ATOM 1852 C VAL B 98 38.139 37.968 46.944 1.00 9.88 C ATOM 1853 O VAL B 98 38.357 38.541 45.867 1.00 12.01 O ATOM 1854 CB VAL B 98 36.217 39.288 47.894 1.00 11.53 C ATOM 1855 CG1 VAL B 98 35.265 38.120 47.564 1.00 14.44 C ATOM 1856 CG2 VAL B 98 35.714 40.074 49.083 1.00 11.62 C ATOM 1857 H VAL B 98 38.773 40.528 47.636 1.00 0.00 H ATOM 1858 N ASN B 99 38.310 36.655 47.117 1.00 11.99 N ATOM 1859 CA ASN B 99 38.720 35.761 46.031 1.00 12.09 C ATOM 1860 C ASN B 99 37.506 35.058 45.432 1.00 14.63 C ATOM 1861 O ASN B 99 36.735 34.416 46.154 1.00 15.97 O ATOM 1862 CB ASN B 99 39.714 34.706 46.522 1.00 12.06 C ATOM 1863 CG ASN B 99 41.038 35.299 46.960 1.00 14.90 C ATOM 1864 OD1 ASN B 99 41.428 36.380 46.516 1.00 14.42 O ATOM 1865 ND2 ASN B 99 41.736 34.590 47.835 1.00 15.81 N ATOM 1866 HD22 ASN B 99 41.366 33.682 48.182 1.00 0.00 H ATOM 1867 HD21 ASN B 99 42.654 34.941 48.175 1.00 0.00 H ATOM 1868 H ASN B 99 38.145 36.251 48.061 1.00 0.00 H ATOM 1869 N GLU B 100 37.349 35.150 44.115 1.00 12.19 N ATOM 1870 CA GLU B 100 36.215 34.540 43.422 1.00 11.03 C ATOM 1871 C GLU B 100 36.717 33.503 42.428 1.00 12.54 C ATOM 1872 O GLU B 100 37.482 33.831 41.511 1.00 12.81 O ATOM 1873 CB GLU B 100 35.371 35.593 42.702 1.00 14.39 C ATOM 1874 CG GLU B 100 34.435 35.031 41.623 1.00 15.96 C ATOM 1875 CD GLU B 100 33.278 34.214 42.178 1.00 22.65 C ATOM 1876 OE1 GLU B 100 32.808 34.526 43.296 1.00 18.74 O ATOM 1877 OE2 GLU B 100 32.834 33.266 41.481 1.00 22.28 O ATOM 1878 H GLU B 100 38.056 35.673 43.559 1.00 0.00 H ATOM 1879 N GLY B 101 36.287 32.257 42.607 1.00 14.32 N ATOM 1880 CA GLY B 101 36.546 31.235 41.606 1.00 17.87 C ATOM 1881 C GLY B 101 38.016 30.881 41.419 1.00 13.78 C ATOM 1882 O GLY B 101 38.892 31.237 42.199 1.00 13.07 O ATOM 1883 H GLY B 101 35.761 32.012 43.470 1.00 0.00 H ATOM 1884 N SER B 102 38.268 30.167 40.318 1.00 15.80 N ATOM 1885 CA SER B 102 39.597 29.610 40.081 1.00 15.87 C ATOM 1886 C SER B 102 40.641 30.704 39.854 1.00 15.08 C ATOM 1887 O SER B 102 41.726 30.676 40.453 1.00 16.02 O ATOM 1888 CB SER B 102 39.553 28.657 38.889 1.00 20.90 C ATOM 1889 OG SER B 102 40.830 28.095 38.666 1.00 27.70 O ATOM 1890 HG SER B 102 41.480 28.818 38.479 1.00 0.00 H ATOM 1891 H SER B 102 37.511 30.006 39.623 1.00 0.00 H ATOM 1892 N ASP B 103 40.343 31.668 38.974 1.00 14.53 N ATOM 1893 CA ASP B 103 41.308 32.734 38.715 1.00 12.45 C ATOM 1894 C ASP B 103 41.500 33.619 39.943 1.00 13.57 C ATOM 1895 O ASP B 103 42.562 34.223 40.112 1.00 13.13 O ATOM 1896 CB ASP B 103 40.875 33.575 37.508 1.00 13.21 C ATOM 1897 CG ASP B 103 41.322 32.982 36.171 1.00 17.91 C ATOM 1898 OD1 ASP B 103 42.060 31.971 36.159 1.00 21.90 O ATOM 1899 OD2 ASP B 103 40.960 33.559 35.121 1.00 19.07 O ATOM 1900 H ASP B 103 39.429 31.658 38.477 1.00 0.00 H ATOM 1901 N GLY B 104 40.490 33.711 40.803 1.00 12.34 N ATOM 1902 CA GLY B 104 40.673 34.435 42.043 1.00 12.95 C ATOM 1903 C GLY B 104 41.439 33.681 43.096 1.00 12.69 C ATOM 1904 O GLY B 104 41.814 34.276 44.109 1.00 15.94 O ATOM 1905 H GLY B 104 39.575 33.266 40.586 1.00 0.00 H ATOM 1906 N GLY B 105 41.689 32.392 42.874 1.00 14.26 N ATOM 1907 CA GLY B 105 42.354 31.560 43.857 1.00 14.79 C ATOM 1908 C GLY B 105 41.472 31.073 44.984 1.00 15.28 C ATOM 1909 O GLY B 105 41.994 30.625 46.011 1.00 20.45 O ATOM 1910 H GLY B 105 41.399 31.970 41.969 1.00 0.00 H ATOM 1911 N GLN B 106 40.153 31.132 44.816 1.00 14.62 N ATOM 1912 CA GLN B 106 39.243 30.731 45.879 1.00 15.21 C ATOM 1913 C GLN B 106 39.449 29.265 46.234 1.00 17.32 C ATOM 1914 O GLN B 106 39.545 28.408 45.351 1.00 21.52 O ATOM 1915 CB GLN B 106 37.797 30.977 45.445 1.00 14.79 C ATOM 1916 CG GLN B 106 36.774 30.572 46.498 1.00 14.88 C ATOM 1917 CD GLN B 106 35.405 31.196 46.277 1.00 14.54 C ATOM 1918 OE1 GLN B 106 35.082 31.674 45.184 1.00 14.92 O ATOM 1919 NE2 GLN B 106 34.599 31.215 47.336 1.00 14.60 N ATOM 1920 HE22 GLN B 106 34.914 30.800 48.236 1.00 0.00 H ATOM 1921 HE21 GLN B 106 33.655 31.645 47.263 1.00 0.00 H ATOM 1922 H GLN B 106 39.767 31.470 43.911 1.00 0.00 H ATOM 1923 N SER B 107 39.539 28.982 47.535 1.00 17.06 N ATOM 1924 CA SER B 107 39.689 27.624 48.042 1.00 21.09 C ATOM 1925 C SER B 107 38.539 27.177 48.932 1.00 22.62 C ATOM 1926 O SER B 107 38.212 25.989 48.945 1.00 28.42 O ATOM 1927 CB SER B 107 41.005 27.487 48.825 1.00 21.37 C ATOM 1928 OG SER B 107 42.127 27.731 47.993 1.00 25.52 O ATOM 1929 HG SER B 107 42.072 28.649 47.627 1.00 0.00 H ATOM 1930 H SER B 107 39.500 29.766 48.218 1.00 0.00 H ATOM 1931 N VAL B 108 37.924 28.091 49.681 1.00 17.74 N ATOM 1932 CA VAL B 108 36.759 27.786 50.509 1.00 14.95 C ATOM 1933 C VAL B 108 35.552 28.437 49.849 1.00 17.36 C ATOM 1934 O VAL B 108 35.506 29.666 49.693 1.00 15.72 O ATOM 1935 CB VAL B 108 36.928 28.274 51.956 1.00 14.83 C ATOM 1936 CG1 VAL B 108 35.660 27.996 52.773 1.00 17.34 C ATOM 1937 CG2 VAL B 108 38.122 27.599 52.607 1.00 16.50 C ATOM 1938 H VAL B 108 38.289 29.065 49.676 1.00 0.00 H ATOM 1939 N TYR B 109 34.575 27.625 49.456 1.00 16.60 N ATOM 1940 CA TYR B 109 33.426 28.154 48.724 1.00 14.90 C ATOM 1941 C TYR B 109 32.318 28.544 49.703 1.00 15.90 C ATOM 1942 O TYR B 109 31.224 27.972 49.765 1.00 16.55 O ATOM 1943 CB TYR B 109 32.980 27.172 47.647 1.00 14.40 C ATOM 1944 CG TYR B 109 33.803 27.387 46.397 1.00 16.59 C ATOM 1945 CD1 TYR B 109 35.056 26.811 46.258 1.00 19.59 C ATOM 1946 CD2 TYR B 109 33.351 28.220 45.386 1.00 19.20 C ATOM 1947 CE1 TYR B 109 35.824 27.033 45.126 1.00 20.30 C ATOM 1948 CE2 TYR B 109 34.101 28.443 44.254 1.00 23.02 C ATOM 1949 CZ TYR B 109 35.337 27.852 44.127 1.00 20.51 C ATOM 1950 OH TYR B 109 36.080 28.087 42.985 1.00 21.18 O ATOM 1951 HH TYR B 109 36.937 27.596 43.044 1.00 0.00 H ATOM 1952 H TYR B 109 34.629 26.609 49.671 1.00 0.00 H ATOM 1953 N HIS B 110 32.662 29.569 50.479 1.00 15.94 N ATOM 1954 CA HIS B 110 31.780 30.299 51.379 1.00 11.84 C ATOM 1955 C HIS B 110 32.324 31.720 51.378 1.00 14.81 C ATOM 1956 O HIS B 110 33.503 31.908 51.695 1.00 16.41 O ATOM 1957 CB HIS B 110 31.818 29.676 52.784 1.00 13.09 C ATOM 1958 CG HIS B 110 30.904 30.323 53.782 1.00 12.90 C ATOM 1959 ND1 HIS B 110 29.921 29.619 54.445 1.00 14.64 N ATOM 1960 CD2 HIS B 110 30.851 31.586 54.267 1.00 12.86 C ATOM 1961 CE1 HIS B 110 29.286 30.427 55.275 1.00 16.32 C ATOM 1962 NE2 HIS B 110 29.832 31.626 55.190 1.00 15.04 N ATOM 1963 H HIS B 110 33.654 29.878 50.439 1.00 0.00 H ATOM 1964 N VAL B 111 31.492 32.697 50.996 1.00 14.22 N ATOM 1965 CA VAL B 111 31.954 34.076 50.811 1.00 14.22 C ATOM 1966 C VAL B 111 32.728 34.547 52.031 1.00 15.48 C ATOM 1967 O VAL B 111 32.291 34.358 53.172 1.00 13.54 O ATOM 1968 CB VAL B 111 30.753 35.000 50.538 1.00 18.88 C ATOM 1969 CG1 VAL B 111 31.083 36.445 50.906 1.00 24.46 C ATOM 1970 CG2 VAL B 111 30.351 34.912 49.099 1.00 19.54 C ATOM 1971 H VAL B 111 30.491 32.472 50.826 1.00 0.00 H ATOM 1972 N HIS B 112 33.880 35.176 51.805 1.00 11.94 N ATOM 1973 CA HIS B 112 34.603 35.732 52.939 1.00 13.75 C ATOM 1974 C HIS B 112 35.518 36.858 52.491 1.00 12.23 C ATOM 1975 O HIS B 112 36.005 36.874 51.355 1.00 15.15 O ATOM 1976 CB HIS B 112 35.416 34.669 53.682 1.00 14.78 C ATOM 1977 CG HIS B 112 36.356 33.899 52.813 1.00 14.86 C ATOM 1978 ND1 HIS B 112 35.936 32.880 51.983 1.00 16.46 N ATOM 1979 CD2 HIS B 112 37.699 33.984 52.657 1.00 16.88 C ATOM 1980 CE1 HIS B 112 36.981 32.368 51.358 1.00 17.76 C ATOM 1981 NE2 HIS B 112 38.063 33.021 51.748 1.00 20.41 N ATOM 1982 H HIS B 112 34.255 35.268 50.839 1.00 0.00 H ATOM 1983 N LEU B 113 35.753 37.784 53.418 1.00 11.09 N ATOM 1984 CA LEU B 113 36.595 38.953 53.209 1.00 10.77 C ATOM 1985 C LEU B 113 37.887 38.772 53.994 1.00 10.78 C ATOM 1986 O LEU B 113 37.845 38.590 55.212 1.00 10.93 O ATOM 1987 CB LEU B 113 35.848 40.211 53.659 1.00 11.51 C ATOM 1988 CG LEU B 113 36.536 41.567 53.509 1.00 13.92 C ATOM 1989 CD1 LEU B 113 36.603 41.983 52.042 1.00 13.56 C ATOM 1990 CD2 LEU B 113 35.773 42.603 54.337 1.00 14.56 C ATOM 1991 H LEU B 113 35.307 37.665 54.350 1.00 0.00 H ATOM 1992 N HIS B 114 39.024 38.801 53.301 1.00 8.70 N ATOM 1993 CA HIS B 114 40.325 38.833 53.956 1.00 9.66 C ATOM 1994 C HIS B 114 40.619 40.259 54.393 1.00 12.06 C ATOM 1995 O HIS B 114 40.321 41.205 53.665 1.00 10.92 O ATOM 1996 CB HIS B 114 41.443 38.401 53.000 1.00 9.57 C ATOM 1997 CG HIS B 114 41.373 36.982 52.535 1.00 9.90 C ATOM 1998 ND1 HIS B 114 42.138 35.981 53.093 1.00 11.40 N ATOM 1999 CD2 HIS B 114 40.683 36.406 51.521 1.00 13.49 C ATOM 2000 CE1 HIS B 114 41.902 34.844 52.462 1.00 11.68 C ATOM 2001 NE2 HIS B 114 41.023 35.074 51.503 1.00 14.73 N ATOM 2002 H HIS B 114 38.982 38.801 52.262 1.00 0.00 H ATOM 2003 N VAL B 115 41.243 40.419 55.559 1.00 9.40 N ATOM 2004 CA VAL B 115 41.811 41.701 55.962 1.00 9.43 C ATOM 2005 C VAL B 115 43.257 41.447 56.371 1.00 9.38 C ATOM 2006 O VAL B 115 43.509 40.672 57.303 1.00 11.03 O ATOM 2007 CB VAL B 115 41.026 42.358 57.112 1.00 10.48 C ATOM 2008 CG1 VAL B 115 41.604 43.741 57.444 1.00 11.74 C ATOM 2009 CG2 VAL B 115 39.528 42.456 56.787 1.00 12.12 C ATOM 2010 H VAL B 115 41.328 39.606 56.201 1.00 0.00 H ATOM 2011 N LEU B 116 44.203 42.093 55.684 1.00 9.60 N ATOM 2012 CA LEU B 116 45.632 41.886 55.912 1.00 9.51 C ATOM 2013 C LEU B 116 46.314 43.201 56.268 1.00 9.56 C ATOM 2014 O LEU B 116 46.074 44.225 55.620 1.00 10.13 O ATOM 2015 CB LEU B 116 46.324 41.294 54.667 1.00 10.94 C ATOM 2016 CG LEU B 116 45.765 39.992 54.098 1.00 11.93 C ATOM 2017 CD1 LEU B 116 44.802 40.270 52.958 1.00 13.72 C ATOM 2018 CD2 LEU B 116 46.896 39.107 53.638 1.00 15.55 C ATOM 2019 H LEU B 116 43.910 42.774 54.954 1.00 0.00 H ATOM 2020 N GLY B 117 47.200 43.169 57.261 1.00 10.89 N ATOM 2021 CA GLY B 117 47.940 44.372 57.592 1.00 12.90 C ATOM 2022 C GLY B 117 49.139 44.071 58.469 1.00 11.91 C ATOM 2023 O GLY B 117 49.492 42.911 58.700 1.00 11.15 O ATOM 2024 H GLY B 117 47.360 42.290 57.794 1.00 0.00 H ATOM 2025 N GLY B 118 49.769 45.141 58.945 1.00 11.36 N ATOM 2026 CA GLY B 118 50.972 45.016 59.744 1.00 11.64 C ATOM 2027 C GLY B 118 52.261 44.949 58.953 1.00 12.27 C ATOM 2028 O GLY B 118 53.332 44.755 59.554 1.00 14.65 O ATOM 2029 H GLY B 118 49.391 46.088 58.740 1.00 0.00 H ATOM 2030 N ARG B 119 52.190 45.092 57.633 1.00 11.94 N ATOM 2031 CA ARG B 119 53.357 45.196 56.771 1.00 10.66 C ATOM 2032 C ARG B 119 52.933 45.988 55.547 1.00 12.60 C ATOM 2033 O ARG B 119 51.739 46.188 55.301 1.00 11.11 O ATOM 2034 CB ARG B 119 53.894 43.820 56.362 1.00 12.39 C ATOM 2035 CG ARG B 119 52.937 43.007 55.469 1.00 12.52 C ATOM 2036 CD ARG B 119 53.667 41.830 54.852 1.00 12.45 C ATOM 2037 NE ARG B 119 52.812 40.911 54.104 1.00 13.88 N ATOM 2038 CZ ARG B 119 52.527 41.022 52.812 1.00 11.88 C ATOM 2039 NH1 ARG B 119 53.005 42.036 52.102 1.00 12.14 N ATOM 2040 NH2 ARG B 119 51.756 40.115 52.232 1.00 13.72 N ATOM 2041 HE ARG B 119 52.396 40.111 54.622 1.00 0.00 H ATOM 2042 HH12 ARG B 119 52.777 42.116 51.090 1.00 0.00 H ATOM 2043 HH11 ARG B 119 53.608 42.751 52.557 1.00 0.00 H ATOM 2044 HH22 ARG B 119 51.529 40.196 51.220 1.00 0.00 H ATOM 2045 HH21 ARG B 119 51.378 39.322 52.788 1.00 0.00 H ATOM 2046 H ARG B 119 51.249 45.132 57.193 1.00 0.00 H ATOM 2047 N GLN B 120 53.922 46.437 54.776 1.00 11.16 N ATOM 2048 CA GLN B 120 53.622 47.071 53.500 1.00 14.19 C ATOM 2049 C GLN B 120 53.056 46.035 52.545 1.00 12.96 C ATOM 2050 O GLN B 120 53.694 45.014 52.273 1.00 13.24 O ATOM 2051 CB GLN B 120 54.871 47.704 52.895 1.00 11.41 C ATOM 2052 CG GLN B 120 54.603 48.380 51.551 1.00 12.55 C ATOM 2053 CD GLN B 120 53.719 49.605 51.709 1.00 12.79 C ATOM 2054 OE1 GLN B 120 54.112 50.580 52.344 1.00 15.98 O ATOM 2055 NE2 GLN B 120 52.513 49.556 51.143 1.00 12.14 N ATOM 2056 HE22 GLN B 120 52.221 48.710 50.614 1.00 0.00 H ATOM 2057 HE21 GLN B 120 51.864 50.364 51.231 1.00 0.00 H ATOM 2058 H GLN B 120 54.910 46.335 55.086 1.00 0.00 H ATOM 2059 N MET B 121 51.854 46.286 52.051 1.00 9.24 N ATOM 2060 CA MET B 121 51.306 45.489 50.968 1.00 10.22 C ATOM 2061 C MET B 121 51.775 46.031 49.618 1.00 10.25 C ATOM 2062 O MET B 121 51.945 47.243 49.434 1.00 11.29 O ATOM 2063 CB MET B 121 49.782 45.493 51.043 1.00 10.34 C ATOM 2064 CG MET B 121 49.235 45.037 52.397 1.00 12.07 C ATOM 2065 SD MET B 121 49.694 43.358 52.903 1.00 13.34 S ATOM 2066 CE MET B 121 48.803 42.366 51.712 1.00 14.71 C ATOM 2067 H MET B 121 51.292 47.067 52.445 1.00 0.00 H ATOM 2068 N HIS B 122 51.996 45.120 48.679 1.00 10.56 N ATOM 2069 CA HIS B 122 52.607 45.439 47.396 1.00 9.45 C ATOM 2070 C HIS B 122 51.565 45.440 46.285 1.00 10.20 C ATOM 2071 O HIS B 122 50.447 44.941 46.439 1.00 9.57 O ATOM 2072 CB HIS B 122 53.721 44.440 47.062 1.00 10.56 C ATOM 2073 CG HIS B 122 54.852 44.444 48.040 1.00 13.58 C ATOM 2074 ND1 HIS B 122 55.686 43.360 48.205 1.00 30.56 N ATOM 2075 CD2 HIS B 122 55.296 45.396 48.892 1.00 12.47 C ATOM 2076 CE1 HIS B 122 56.594 43.643 49.122 1.00 26.35 C ATOM 2077 NE2 HIS B 122 56.375 44.869 49.561 1.00 18.17 N ATOM 2078 H HIS B 122 51.721 44.135 48.867 1.00 0.00 H ATOM 2079 N TRP B 123 51.957 45.998 45.143 1.00 9.26 N ATOM 2080 CA TRP B 123 51.101 46.052 43.964 1.00 10.01 C ATOM 2081 C TRP B 123 51.825 45.363 42.807 1.00 10.55 C ATOM 2082 O TRP B 123 53.022 45.552 42.651 1.00 14.00 O ATOM 2083 CB TRP B 123 50.782 47.505 43.618 1.00 12.73 C ATOM 2084 CG TRP B 123 49.489 47.714 42.890 1.00 10.65 C ATOM 2085 CD1 TRP B 123 49.321 48.244 41.643 1.00 13.41 C ATOM 2086 CD2 TRP B 123 48.180 47.432 43.390 1.00 9.23 C ATOM 2087 NE1 TRP B 123 47.979 48.299 41.328 1.00 11.86 N ATOM 2088 CE2 TRP B 123 47.260 47.802 42.385 1.00 10.37 C ATOM 2089 CE3 TRP B 123 47.696 46.889 44.587 1.00 10.27 C ATOM 2090 CZ2 TRP B 123 45.883 47.652 42.546 1.00 10.89 C ATOM 2091 CZ3 TRP B 123 46.327 46.743 44.742 1.00 10.78 C ATOM 2092 CH2 TRP B 123 45.440 47.121 43.725 1.00 9.47 C ATOM 2093 HE1 TRP B 123 47.579 48.658 40.437 1.00 0.00 H ATOM 2094 H TRP B 123 52.910 46.411 45.089 1.00 0.00 H ATOM 2095 N PRO B 124 51.127 44.552 42.004 1.00 9.45 N ATOM 2096 CA PRO B 124 49.707 44.196 42.012 1.00 10.77 C ATOM 2097 C PRO B 124 49.356 43.313 43.202 1.00 10.28 C ATOM 2098 O PRO B 124 50.248 42.750 43.832 1.00 10.45 O ATOM 2099 CB PRO B 124 49.536 43.435 40.694 1.00 12.23 C ATOM 2100 CG PRO B 124 50.871 42.822 40.450 1.00 12.47 C ATOM 2101 CD PRO B 124 51.857 43.853 40.926 1.00 11.13 C ATOM 2102 N PRO B 125 48.075 43.213 43.521 1.00 8.55 N ATOM 2103 CA PRO B 125 47.629 42.391 44.661 1.00 9.25 C ATOM 2104 C PRO B 125 47.517 40.918 44.285 1.00 12.49 C ATOM 2105 O PRO B 125 46.432 40.323 44.298 1.00 12.56 O ATOM 2106 CB PRO B 125 46.271 43.020 44.996 1.00 9.98 C ATOM 2107 CG PRO B 125 45.726 43.390 43.646 1.00 11.23 C ATOM 2108 CD PRO B 125 46.935 43.854 42.830 1.00 9.81 C ATOM 2109 N GLY B 126 48.658 40.317 43.947 1.00 11.53 N ATOM 2110 CA GLY B 126 48.692 38.985 43.370 1.00 10.83 C ATOM 2111 C GLY B 126 48.543 39.045 41.869 1.00 16.84 C ATOM 2112 O GLY B 126 48.676 40.130 41.290 1.00 15.41 O ATOM 2113 OXT GLY B 126 48.298 38.025 41.217 1.00 16.68 O ATOM 2114 H GLY B 126 49.555 40.820 44.102 1.00 0.00 H TER 2115 GLY B 126 HETATM 2116 O HOH 1 22.954 40.255 42.415 1.00 27.78 O HETATM 2117 O HOH 2 42.449 29.558 37.416 1.00 21.80 O HETATM 2118 O HOH 3 22.217 34.677 48.710 1.00 29.99 O HETATM 2119 O HOH 4 43.361 31.305 34.078 1.00 30.48 O HETATM 2120 O HOH 5 58.126 45.921 51.138 1.00 29.21 O HETATM 2121 O HOH 6 20.993 49.621 46.412 1.00 25.39 O HETATM 2122 O HOH 7 29.814 26.752 54.552 1.00 18.57 O HETATM 2123 O HOH 8 34.958 27.737 40.618 1.00 30.51 O HETATM 2124 O HOH 9 22.250 34.513 63.549 1.00 31.39 O HETATM 2125 O HOH 10 38.686 27.611 42.879 1.00 28.28 O HETATM 2126 O HOH 11 53.437 51.901 54.542 1.00 19.57 O HETATM 2127 O HOH 12 49.291 47.917 58.865 1.00 13.56 O HETATM 2128 O HOH 13 48.162 38.486 64.216 1.00 25.15 O HETATM 2129 O HOH 14 53.908 52.846 50.945 1.00 23.22 O HETATM 2130 O HOH 15 26.696 44.233 64.951 1.00 29.27 O HETATM 2131 O HOH 16 46.464 34.792 61.940 1.00 20.02 O HETATM 2132 O HOH 17 41.598 33.762 32.515 1.00 27.07 O HETATM 2133 O HOH 18 33.532 32.861 38.898 1.00 27.04 O HETATM 2134 O HOH 19 45.101 27.351 55.398 1.00 27.79 O HETATM 2135 O HOH 20 50.063 43.517 62.960 1.00 24.71 O HETATM 2136 O HOH 21 55.977 44.166 59.406 1.00 27.93 O HETATM 2137 O HOH 22 41.489 31.298 64.000 1.00 16.38 O HETATM 2138 O HOH 23 39.835 50.782 60.335 1.00 15.70 O HETATM 2139 O HOH 24 29.153 31.909 39.337 1.00 28.43 O HETATM 2140 O HOH 25 21.458 38.840 53.033 1.00 28.23 O HETATM 2141 O HOH 26 38.081 40.788 70.065 1.00 25.24 O HETATM 2142 O HOH 27 51.907 32.106 50.630 1.00 33.70 O HETATM 2143 O HOH 28 44.339 31.370 47.241 1.00 37.24 O HETATM 2144 O HOH 29 21.687 41.817 53.096 1.00 17.59 O HETATM 2145 O HOH 30 27.581 41.358 68.743 1.00 23.84 O HETATM 2146 O HOH 31 25.968 28.401 44.977 1.00 36.60 O HETATM 2147 O HOH 32 40.473 36.939 69.564 1.00 24.30 O HETATM 2148 O HOH 33 35.901 21.129 68.736 1.00 20.66 O HETATM 2149 O HOH 34 40.650 28.697 63.095 1.00 22.09 O HETATM 2150 O HOH 35 52.879 41.839 43.930 1.00 22.98 O HETATM 2151 O HOH 36 42.030 38.835 68.359 1.00 16.80 O HETATM 2152 O HOH 37 40.256 25.723 62.940 1.00 38.54 O HETATM 2153 O HOH 38 29.890 25.682 48.877 1.00 34.11 O HETATM 2154 O HOH 39 56.156 43.984 53.105 1.00 21.10 O HETATM 2155 O HOH 40 26.215 21.565 65.233 1.00 28.45 O HETATM 2156 O HOH 41 24.520 36.250 57.461 1.00 18.42 O HETATM 2157 O HOH 42 53.752 44.665 62.322 1.00 29.72 O HETATM 2158 O HOH 43 46.172 32.320 53.501 1.00 17.43 O HETATM 2159 O HOH 44 34.438 28.308 65.999 1.00 19.68 O HETATM 2160 O HOH 45 23.934 33.042 65.114 1.00 30.79 O HETATM 2161 O HOH 46 19.477 39.076 42.945 1.00 31.29 O HETATM 2162 O HOH 47 50.414 48.153 47.255 1.00 11.63 O HETATM 2163 O HOH 48 37.827 35.507 49.696 1.00 14.46 O HETATM 2164 O HOH 49 46.159 37.624 62.447 1.00 14.14 O HETATM 2165 O HOH 50 34.267 55.475 61.028 1.00 32.47 O HETATM 2166 O HOH 51 36.067 29.263 38.804 1.00 22.49 O HETATM 2167 O HOH 52 34.901 24.842 49.800 1.00 24.80 O HETATM 2168 O HOH 53 22.865 29.504 55.191 1.00 32.59 O HETATM 2169 O HOH 54 34.919 24.972 68.954 1.00 18.73 O HETATM 2170 O HOH 55 23.052 26.797 54.660 1.00 34.29 O HETATM 2171 O HOH 56 27.830 36.796 38.458 1.00 17.98 O HETATM 2172 O HOH 57 22.293 33.669 42.622 1.00 35.45 O HETATM 2173 O HOH 58 41.239 24.370 56.136 1.00 33.46 O HETATM 2174 O HOH 59 43.088 28.363 41.486 1.00 34.97 O HETATM 2175 O HOH 60 38.382 30.179 70.470 1.00 28.13 O HETATM 2176 O HOH 61 37.335 33.082 48.647 1.00 19.90 O HETATM 2177 O HOH 62 51.337 31.375 56.966 1.00 29.84 O HETATM 2178 O HOH 63 33.843 34.496 46.335 1.00 17.48 O HETATM 2179 O HOH 64 25.314 30.042 47.518 1.00 25.33 O HETATM 2180 O HOH 65 49.215 49.329 61.283 1.00 21.10 O HETATM 2181 O HOH 66 56.718 46.203 55.594 1.00 20.71 O HETATM 2182 O HOH 67 27.869 38.090 69.885 1.00 31.80 O HETATM 2183 O HOH 68 30.246 21.881 57.344 1.00 29.71 O HETATM 2184 O HOH 69 23.645 40.792 66.655 1.00 28.41 O HETATM 2185 O HOH 70 20.394 44.508 51.225 1.00 21.77 O HETATM 2186 O HOH 71 24.945 35.423 67.290 1.00 26.82 O HETATM 2187 O HOH 72 32.648 19.266 67.513 1.00 30.08 O HETATM 2188 O HOH 73 35.718 29.386 68.016 1.00 23.05 O HETATM 2189 O HOH 74 50.694 36.509 61.491 1.00 28.03 O HETATM 2190 O HOH 75 46.445 40.796 65.039 1.00 23.37 O HETATM 2191 O HOH 76 34.914 34.419 49.111 1.00 16.61 O HETATM 2192 O HOH 77 17.684 39.560 45.792 1.00 27.43 O HETATM 2193 O HOH 78 42.482 51.038 61.455 1.00 25.58 O HETATM 2194 O HOH 79 41.974 26.882 52.511 1.00 28.04 O HETATM 2195 O HOH 80 47.380 29.941 52.365 1.00 27.39 O HETATM 2196 O HOH 81 19.514 45.866 46.867 1.00 31.12 O HETATM 2197 O HOH 82 36.355 51.648 63.072 1.00 24.91 O HETATM 2198 O HOH 83 32.520 28.151 40.436 1.00 34.86 O HETATM 2199 O HOH 84 44.305 31.070 49.533 1.00 37.11 O HETATM 2200 O HOH 85 51.386 39.126 39.791 1.00 29.90 O HETATM 2201 O HOH 86 35.691 23.637 52.687 1.00 26.05 O HETATM 2202 O HOH 87 54.247 38.801 56.345 1.00 24.14 O HETATM 2203 O HOH 88 25.532 37.530 68.253 1.00 32.61 O HETATM 2204 O HOH 89 19.871 50.246 48.764 1.00 24.12 O HETATM 2205 O HOH 90 41.827 28.322 67.548 1.00 35.35 O HETATM 2206 O HOH 91 56.296 52.648 49.893 1.00 20.90 O HETATM 2207 O HOH 92 40.970 29.177 69.980 1.00 33.16 O HETATM 2208 O HOH 93 44.169 31.657 65.056 1.00 24.48 O HETATM 2209 O HOH 94 49.063 35.074 63.027 1.00 31.24 O HETATM 2210 O HOH 95 31.920 23.061 49.397 1.00 39.57 O HETATM 2211 O HOH 96 18.667 48.359 50.519 1.00 24.82 O HETATM 2212 O HOH 97 43.138 28.284 65.637 1.00 38.60 O HETATM 2213 O HOH 98 27.386 35.377 36.519 1.00 29.11 O HETATM 2214 O HOH 99 40.600 41.089 69.385 1.00 32.33 O HETATM 2215 O HOH 100 44.551 30.081 67.306 1.00 27.32 O HETATM 2216 O HOH 101 57.994 53.095 54.030 1.00 24.88 O HETATM 2217 O HOH 102 21.975 37.615 56.567 1.00 36.13 O HETATM 2218 O HOH 103 43.758 53.495 42.431 1.00 32.15 O HETATM 2219 O HOH 104 25.882 56.091 52.959 1.00 25.94 O HETATM 2220 O HOH 105 48.530 53.100 31.863 1.00 24.84 O HETATM 2221 O HOH 106 53.460 55.311 51.984 1.00 30.01 O HETATM 2222 O HOH 107 37.569 69.898 39.618 1.00 32.15 O HETATM 2223 O HOH 108 53.201 48.041 59.534 1.00 27.62 O HETATM 2224 O HOH 109 23.670 42.842 31.226 1.00 32.36 O HETATM 2225 O HOH 110 45.983 28.971 36.573 1.00 36.06 O HETATM 2226 O HOH 111 24.284 52.900 52.819 1.00 16.83 O HETATM 2227 O HOH 112 39.852 40.045 30.274 1.00 24.35 O HETATM 2228 O HOH 113 52.267 31.580 48.109 1.00 35.53 O HETATM 2229 O HOH 114 39.225 35.604 35.114 1.00 16.13 O HETATM 2230 O HOH 115 22.478 45.977 41.279 1.00 30.61 O HETATM 2231 O HOH 116 42.852 36.742 29.431 1.00 28.05 O HETATM 2232 O HOH 117 22.889 60.724 41.700 1.00 17.12 O HETATM 2233 O HOH 118 37.103 38.813 30.096 1.00 28.73 O HETATM 2234 O HOH 119 41.083 56.566 59.754 1.00 24.26 O HETATM 2235 O HOH 120 39.405 54.697 32.775 1.00 13.71 O HETATM 2236 O HOH 121 49.193 55.059 50.278 1.00 26.54 O HETATM 2237 O HOH 122 42.128 48.908 32.430 1.00 21.13 O HETATM 2238 O HOH 123 31.882 70.222 37.134 1.00 20.82 O HETATM 2239 O HOH 124 41.080 50.667 47.150 1.00 10.87 O HETATM 2240 O HOH 125 55.070 49.605 56.984 1.00 31.79 O HETATM 2241 O HOH 126 49.275 48.494 32.826 1.00 26.93 O HETATM 2242 O HOH 127 19.038 59.051 43.861 1.00 15.26 O HETATM 2243 O HOH 128 38.430 52.779 61.519 1.00 18.59 O HETATM 2244 O HOH 129 42.604 43.261 28.094 1.00 26.10 O HETATM 2245 O HOH 130 52.080 37.176 45.275 1.00 21.84 O HETATM 2246 O HOH 131 48.987 56.672 52.114 1.00 33.07 O HETATM 2247 O HOH 132 40.300 46.497 32.244 1.00 15.10 O HETATM 2248 O HOH 133 22.323 49.804 39.898 1.00 12.25 O HETATM 2249 O HOH 134 40.260 52.912 51.850 1.00 13.02 O HETATM 2250 O HOH 135 48.906 35.202 36.203 1.00 25.62 O HETATM 2251 O HOH 136 40.635 58.474 33.346 1.00 15.73 O HETATM 2252 O HOH 137 37.073 62.616 45.523 1.00 13.76 O HETATM 2253 O HOH 138 36.836 36.163 29.078 1.00 18.05 O HETATM 2254 O HOH 139 36.455 42.240 28.889 1.00 24.73 O HETATM 2255 O HOH 140 24.549 61.237 39.701 1.00 29.13 O HETATM 2256 O HOH 141 49.906 50.725 46.026 1.00 14.16 O HETATM 2257 O HOH 142 30.300 37.914 38.654 1.00 13.41 O HETATM 2258 O HOH 143 27.442 57.243 46.717 1.00 13.62 O HETATM 2259 O HOH 144 34.471 60.894 33.388 1.00 12.25 O HETATM 2260 O HOH 145 41.550 61.188 31.821 1.00 15.36 O HETATM 2261 O HOH 146 27.826 56.691 32.240 1.00 20.01 O HETATM 2262 O HOH 147 38.356 67.343 42.436 1.00 27.77 O HETATM 2263 O HOH 148 44.509 51.923 45.596 1.00 12.64 O HETATM 2264 O HOH 149 43.124 53.426 39.916 1.00 29.72 O HETATM 2265 O HOH 150 30.893 36.248 32.114 1.00 28.01 O HETATM 2266 O HOH 151 23.706 54.049 33.426 1.00 16.33 O HETATM 2267 O HOH 152 47.997 57.786 48.532 1.00 19.07 O HETATM 2268 O HOH 153 28.473 60.687 31.137 1.00 19.11 O HETATM 2269 O HOH 154 44.540 53.563 58.072 1.00 25.78 O HETATM 2270 O HOH 155 21.913 52.755 36.255 1.00 11.04 O HETATM 2271 O HOH 156 26.197 39.051 38.200 1.00 24.75 O HETATM 2272 O HOH 157 37.819 61.837 55.796 1.00 31.86 O HETATM 2273 O HOH 158 46.587 49.782 39.298 1.00 20.13 O HETATM 2274 O HOH 159 44.544 45.231 30.791 1.00 23.05 O HETATM 2275 O HOH 160 31.533 36.623 36.551 1.00 21.02 O HETATM 2276 O HOH 161 45.728 33.240 44.611 1.00 19.36 O HETATM 2277 O HOH 162 45.369 52.859 30.252 1.00 24.35 O HETATM 2278 O HOH 163 35.359 64.486 30.182 1.00 23.40 O HETATM 2279 O HOH 164 35.186 71.676 39.609 1.00 36.16 O HETATM 2280 O HOH 165 45.950 35.729 31.026 1.00 31.83 O HETATM 2281 O HOH 166 26.208 55.947 60.493 1.00 31.99 O HETATM 2282 O HOH 167 25.692 41.435 34.738 1.00 23.17 O HETATM 2283 O HOH 168 43.696 65.121 45.192 1.00 22.08 O HETATM 2284 O HOH 169 50.160 31.873 44.159 1.00 28.78 O HETATM 2285 O HOH 170 47.128 33.282 34.002 1.00 24.95 O HETATM 2286 O HOH 171 37.394 34.773 33.302 1.00 17.81 O HETATM 2287 O HOH 172 44.265 61.239 47.175 1.00 12.27 O HETATM 2288 O HOH 173 33.915 48.285 29.093 1.00 20.61 O HETATM 2289 O HOH 174 23.130 50.866 55.133 1.00 23.26 O HETATM 2290 O HOH 175 39.343 67.075 30.273 1.00 28.14 O HETATM 2291 O HOH 176 34.821 59.586 29.339 1.00 20.39 O HETATM 2292 O HOH 177 37.005 69.970 32.281 1.00 29.75 O HETATM 2293 O HOH 178 26.533 62.033 39.047 1.00 32.06 O HETATM 2294 O HOH 179 40.293 62.955 50.184 1.00 24.61 O HETATM 2295 O HOH 180 37.764 44.219 30.479 1.00 22.54 O HETATM 2296 O HOH 181 43.791 63.231 43.128 1.00 10.56 O HETATM 2297 O HOH 182 35.463 60.877 54.200 1.00 20.40 O HETATM 2298 O HOH 183 23.032 52.161 48.516 1.00 17.57 O HETATM 2299 O HOH 184 50.206 51.176 33.331 1.00 27.18 O HETATM 2300 O HOH 185 42.611 51.634 30.399 1.00 37.73 O HETATM 2301 O HOH 186 30.165 63.649 48.850 1.00 26.62 O HETATM 2302 O HOH 187 48.253 55.596 56.399 1.00 21.89 O HETATM 2303 O HOH 188 28.867 55.674 61.903 1.00 34.28 O HETATM 2304 O HOH 189 39.840 52.707 48.842 1.00 12.04 O HETATM 2305 O HOH 190 25.654 52.352 32.776 1.00 17.30 O HETATM 2306 O HOH 191 40.038 69.315 34.252 1.00 32.72 O HETATM 2307 O HOH 192 48.782 44.363 32.914 1.00 30.39 O HETATM 2308 O HOH 193 45.624 57.784 55.911 1.00 38.29 O HETATM 2309 O HOH 194 50.372 50.971 39.022 1.00 20.33 O HETATM 2310 O HOH 195 29.410 65.483 41.545 1.00 27.05 O HETATM 2311 O HOH 196 19.616 49.877 52.485 1.00 36.64 O HETATM 2312 O HOH 197 32.878 57.631 28.780 1.00 29.51 O HETATM 2313 O HOH 198 41.917 69.052 45.142 1.00 28.89 O HETATM 2314 O HOH 199 42.014 64.560 49.069 1.00 28.31 O HETATM 2315 O HOH 200 54.470 39.891 49.289 1.00 32.86 O HETATM 2316 O HOH 201 47.402 42.842 31.940 1.00 34.49 O HETATM 2317 O HOH 202 46.238 51.231 43.423 1.00 24.68 O HETATM 2318 O HOH 203 22.902 54.075 50.738 1.00 23.57 O HETATM 2319 O HOH 204 48.524 41.043 33.573 1.00 25.98 O HETATM 2320 O HOH 205 39.615 57.857 28.943 1.00 27.68 O HETATM 2321 O HOH 206 41.958 66.605 41.823 1.00 27.10 O HETATM 2322 O HOH 207 48.404 55.849 32.218 1.00 20.39 O HETATM 2323 O HOH 208 40.197 56.244 34.781 1.00 17.61 O HETATM 2324 O HOH 209 42.086 47.034 30.408 1.00 33.65 O HETATM 2325 O HOH 210 20.189 48.318 44.215 1.00 24.37 O HETATM 2326 O HOH 211 22.019 46.397 37.412 1.00 33.29 O HETATM 2327 O HOH 212 19.560 52.653 53.367 1.00 39.95 O HETATM 2328 O HOH 213 38.024 34.224 30.483 1.00 33.91 O HETATM 2329 O HOH 214 27.987 46.300 32.946 1.00 33.12 O HETATM 2330 O HOH 215 27.710 53.943 31.567 1.00 33.40 O HETATM 2331 O HOH 216 41.123 56.911 31.314 1.00 33.92 O HETATM 2332 O HOH 217 30.172 55.145 28.182 1.00 32.92 O HETATM 2333 O HOH 218 27.132 36.318 31.845 1.00 38.31 O HETATM 2334 O HOH 219 26.463 45.960 35.109 1.00 36.84 O HETATM 2335 O HOH 220 23.523 47.262 39.543 1.00 25.38 O HETATM 2336 O HOH 221 41.365 59.241 59.041 1.00 37.09 O HETATM 2337 O HOH 222 25.824 46.938 37.768 1.00 22.46 O HETATM 2338 O HOH 223 20.128 54.154 50.995 1.00 26.44 O HETATM 2339 O HOH 224 43.394 65.523 39.418 1.00 18.29 O HETATM 2340 O HOH 225 43.998 32.559 32.225 1.00 38.21 O HETATM 2341 O HOH 226 45.752 61.072 54.535 1.00 34.93 O HETATM 2342 O HOH 227 41.710 54.467 31.132 1.00 27.75 O HETATM 2343 O HOH 228 44.066 63.945 48.120 1.00 28.10 O HETATM 2344 O HOH 229 25.722 47.385 32.422 1.00 31.23 O HETATM 2345 O HOH 230 24.286 45.442 35.341 1.00 31.41 O HETATM 2346 O HOH 231 45.780 55.304 29.064 1.00 36.13 O HETATM 2347 O HOH 232 24.817 39.468 35.989 1.00 33.62 O HETATM 2348 O HOH 233 31.160 70.562 42.804 1.00 33.34 O HETATM 2349 O HOH 234 24.116 46.354 29.651 1.00 39.74 O HETATM 2350 O HOH 235 24.668 49.780 31.718 1.00 34.10 O HETATM 2351 O HOH 236 24.323 56.533 50.773 1.00 24.25 O HETATM 2352 P AMP A 237 40.360 31.526 49.857 1.00 0.20 P HETATM 2353 O1P AMP A 237 41.267 31.521 48.647 1.00 -0.55 O HETATM 2354 O2P AMP A 237 40.216 32.879 50.509 1.00 -0.55 O HETATM 2355 O3P AMP A 237 39.057 30.798 49.664 1.00 -0.55 O HETATM 2356 O5' AMP A 237 41.142 30.647 50.933 1.00 -0.27 O HETATM 2357 C5' AMP A 237 40.549 30.323 52.190 1.00 0.11 C HETATM 2358 C4' AMP A 237 41.231 31.031 53.337 1.00 0.12 C HETATM 2359 O4' AMP A 237 40.683 30.534 54.588 1.00 -0.34 O HETATM 2360 C1' AMP A 237 41.730 30.191 55.465 1.00 0.20 C HETATM 2361 C2' AMP A 237 42.921 29.849 54.573 1.00 0.14 C HETATM 2362 C3' AMP A 237 42.749 30.837 53.414 1.00 0.11 C HETATM 2363 O3' AMP A 237 43.384 32.085 53.711 1.00 -0.39 O HETATM 2364 H5 AMP A 237 43.066 32.410 54.545 1.00 0.21 H HETATM 2365 H4 AMP A 237 43.150 30.425 52.476 1.00 0.06 H HETATM 2366 O2' AMP A 237 44.148 29.943 55.264 1.00 -0.38 O HETATM 2367 H7 AMP A 237 44.236 30.814 55.634 1.00 0.21 H HETATM 2368 H6 AMP A 237 42.829 28.820 54.196 1.00 0.07 H HETATM 2369 N9 AMP A 237 41.274 29.081 56.308 1.00 -0.19 N HETATM 2370 C8 AMP A 237 40.960 27.842 55.884 1.00 0.11 C HETATM 2371 N7 AMP A 237 40.583 27.055 56.925 1.00 -0.30 N HETATM 2372 C5 AMP A 237 40.659 27.799 58.048 1.00 0.10 C HETATM 2373 C6 AMP A 237 40.399 27.598 59.493 1.00 0.13 C HETATM 2374 N6 AMP A 237 39.983 26.396 59.954 1.00 -0.32 N HETATM 2375 H10 AMP A 237 39.804 26.264 60.960 1.00 0.18 H HETATM 2376 H11 AMP A 237 39.845 25.613 59.299 1.00 0.18 H HETATM 2377 N1 AMP A 237 40.602 28.644 60.325 1.00 -0.27 N HETATM 2378 C2 AMP A 237 41.021 29.843 59.868 1.00 0.05 C HETATM 2379 N3 AMP A 237 41.275 30.097 58.568 1.00 -0.27 N HETATM 2380 C4 AMP A 237 41.110 29.135 57.631 1.00 0.16 C HETATM 2381 H12 AMP A 237 41.161 30.645 60.584 1.00 0.10 H HETATM 2382 H9 AMP A 237 41.003 27.515 54.846 1.00 0.13 H HETATM 2383 H8 AMP A 237 41.990 31.044 56.109 1.00 0.10 H HETATM 2384 H3 AMP A 237 41.023 32.107 53.243 1.00 0.07 H HETATM 2385 H1 AMP A 237 40.623 29.237 52.348 1.00 0.06 H HETATM 2386 H2 AMP A 237 39.490 30.619 52.170 1.00 0.06 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1052 1053 1057 1058 1059 CONECT 1057 1052 CONECT 1058 1052 CONECT 1059 1052 CONECT 2352 2353 2354 2355 2356 CONECT 2353 2352 CONECT 2354 2352 CONECT 2355 2352 CONECT 2356 2352 2357 CONECT 2357 2356 2358 2385 2386 CONECT 2358 2357 2359 2362 2384 CONECT 2359 2358 2360 CONECT 2360 2359 2361 2369 2383 CONECT 2361 2360 2362 2366 2368 CONECT 2362 2358 2361 2363 2365 CONECT 2363 2362 2364 CONECT 2364 2363 CONECT 2365 2362 CONECT 2366 2361 2367 CONECT 2367 2366 CONECT 2368 2361 CONECT 2369 2360 2370 2380 CONECT 2370 2369 2371 2382 CONECT 2371 2370 2372 CONECT 2372 2371 2373 2380 CONECT 2373 2372 2374 2377 CONECT 2374 2373 2375 2376 CONECT 2375 2374 CONECT 2376 2374 CONECT 2377 2373 2378 CONECT 2378 2377 2379 2381 CONECT 2379 2378 2380 CONECT 2380 2369 2372 2379 CONECT 2381 2378 CONECT 2382 2370 CONECT 2383 2360 CONECT 2384 2358 CONECT 2385 2357 CONECT 2386 2357 MASTER 0 0 0 0 0 0 0 0 2384 2 43 18 END
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Structure:
Ligand 2D
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Related entries of code: 5klz
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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PDBbind
129aa, >5I2E_1|Chains... *
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129aa, >5I2F_1|Chains... at 100%
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RCSB PDB
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RCSB PDB
PDBbind
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RCSB PDB
PDBbind
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PDBbind
129aa, >5WA9_1|Chains... at 99%
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RCSB PDB
PDBbind
129aa, >6N3Y_1|Chains... at 100%
6n3x
RCSB PDB
PDBbind
129aa, >6N3X_1|Chains... at 100%
6n3w
RCSB PDB
PDBbind
129aa, >6N3W_1|Chains... at 100%
6n3v
RCSB PDB
PDBbind
129aa, >6N3V_1|Chains... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1fpi
RCSB PDB
PDBbind
AMP
1fta
RCSB PDB
PDBbind
AMP
1pyg
RCSB PDB
PDBbind
AMP
1ua4
RCSB PDB
PDBbind
AMP
1z6s
RCSB PDB
PDBbind
AMP
2gmk
RCSB PDB
PDBbind
AMP
2gsu
RCSB PDB
PDBbind
AMP
2q8m
RCSB PDB
PDBbind
AMP
2qrk
RCSB PDB
PDBbind
AMP
2vfk
RCSB PDB
PDBbind
AMP
3tdh
RCSB PDB
PDBbind
AMP
4cs9
RCSB PDB
PDBbind
AMP
4g0y
RCSB PDB
PDBbind
AMP
4lqy
RCSB PDB
PDBbind
AMP
4ozl
RCSB PDB
PDBbind
AMP
4qfg
RCSB PDB
PDBbind
AMP
4wyp
RCSB PDB
PDBbind
AMP
4zmf
RCSB PDB
PDBbind
AMP
5f74
RCSB PDB
PDBbind
AMP
5o3r
RCSB PDB
PDBbind
AMP
5ofu
RCSB PDB
PDBbind
AMP
5yz2
RCSB PDB
PDBbind
AMP
6fcl
RCSB PDB
PDBbind
AMP
7gpb
RCSB PDB
PDBbind
AMP
8gpb
RCSB PDB
PDBbind
AMP
6mmo
RCSB PDB
PDBbind
AMP
6k4r
RCSB PDB
PDBbind
AMP
5nx9
RCSB PDB
PDBbind
AMP
6sy7
RCSB PDB
PDBbind
AMP
Entry Information
PDB ID
5klz
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Histidine triad nucleotide-binding protein 1
Ligand Name
AMP
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=0.423uM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Mol. Pharm. Vol. 14: pp. 3987-3997
Ligand Properties
Formula
C
1
0
H
1
5
N
5
O
7
P
Molecular Weight
348.229
Exact Mass
348.071
No. of atoms
38
No. of bonds
40
Polar Surface Area
202.82
LOGP Value
-3.71 (
Computed with XLOGP3
)
-1.72 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 3
No. of Hydrogen Bond Acceptors: 8
No. of Rotatable Bonds: 5
No. of Nitrogen and Oxygen Atoms: 12
No. of Rings: 3
Canonical SMILES
O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(O)(O)O
InChI String
InChI=1S/C10H16N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-20,23H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P49773
Entrez Gene ID
NCBI Entrez Gene ID:
3094
ASD
Information of known allosteric effects of PDB entries
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