Browse entries in the PDBbind-CN Database
HEADER 5AZG_COMPLEX COMPND 5AZG_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 119 GLY PRO HIS MET LYS TRP ALA TYR LYS GLU GLU ASN ASN SEQRES 2 A 119 PHE GLU LYS ARG ARG ALA GLU GLY ASP LYS ILE ARG ARG SEQRES 3 A 119 LYS TYR PRO ASP ARG ILE PRO VAL ILE VAL GLU LYS ALA SEQRES 4 A 119 PRO LYS SER LYS LEU HIS ASP LEU ASP LYS LYS LYS TYR SEQRES 5 A 119 LEU VAL PRO SER ASP LEU THR VAL GLY GLN PHE TYR PHE SEQRES 6 A 119 LEU ILE ARG LYS ARG ILE GLN LEU ARG PRO GLU ASP ALA SEQRES 7 A 119 LEU PHE PHE PHE VAL ASN ASN VAL ILE PRO GLN THR MET SEQRES 8 A 119 THR THR MET GLY GLN LEU TYR GLN ASP HIS HIS GLU GLU SEQRES 9 A 119 ASP LEU PHE LEU TYR ILE ALA TYR SER ASP GLU SER VAL SEQRES 10 A 119 TYR GLY HET CD A 1 1 HET CD A 2 1 HET CD A 3 1 HET CD A 4 1 HET CD A 5 1 HET CD A 6 1 HET CD A 7 1 HET CD A 8 1 HET ASP A 174 88 ATOM 1 N GLY A -2 12.944 5.114 4.499 1.00 30.60 N ATOM 2 CA GLY A -2 12.078 6.223 4.947 1.00 30.50 C ATOM 3 C GLY A -2 11.047 6.702 3.943 1.00 31.10 C ATOM 4 O GLY A -2 11.145 6.412 2.753 1.00 30.27 O ATOM 5 HN3 GLY A -2 13.475 5.409 3.655 1.00 0.00 H ATOM 6 HN2 GLY A -2 12.356 4.288 4.269 1.00 0.00 H ATOM 7 HN1 GLY A -2 13.609 4.866 5.259 1.00 0.00 H ATOM 8 N PRO A -1 10.040 7.440 4.429 1.00 32.11 N ATOM 9 CA PRO A -1 9.009 7.962 3.552 1.00 32.39 C ATOM 10 C PRO A -1 9.532 9.092 2.673 1.00 32.76 C ATOM 11 O PRO A -1 10.447 9.816 3.068 1.00 32.97 O ATOM 12 CB PRO A -1 7.975 8.506 4.526 1.00 33.13 C ATOM 13 CG PRO A -1 8.773 8.933 5.704 1.00 31.57 C ATOM 14 CD PRO A -1 9.878 7.920 5.819 1.00 31.23 C ATOM 15 N HIS A 0 8.951 9.238 1.489 1.00 33.80 N ATOM 16 CA HIS A 0 9.279 10.350 0.604 1.00 34.16 C ATOM 17 C HIS A 0 8.490 11.568 1.059 1.00 35.27 C ATOM 18 O HIS A 0 7.251 11.545 1.078 1.00 36.00 O ATOM 19 CB HIS A 0 9.002 9.983 -0.838 1.00 35.80 C ATOM 20 CG HIS A 0 9.966 8.969 -1.345 1.00 35.75 C ATOM 21 ND1 HIS A 0 11.269 9.294 -1.656 1.00 35.99 N ATOM 22 CD2 HIS A 0 9.863 7.631 -1.490 1.00 37.06 C ATOM 23 CE1 HIS A 0 11.912 8.205 -2.023 1.00 36.93 C ATOM 24 NE2 HIS A 0 11.085 7.185 -1.925 1.00 36.64 N ATOM 25 H HIS A 0 8.242 8.541 1.184 1.00 0.00 H ATOM 26 N MET A 1 9.233 12.589 1.483 1.00 35.52 N ATOM 27 CA MET A 1 8.674 13.721 2.215 1.00 36.89 C ATOM 28 C MET A 1 8.452 14.920 1.316 1.00 39.46 C ATOM 29 O MET A 1 9.275 15.226 0.465 1.00 41.56 O ATOM 30 CB MET A 1 9.619 14.126 3.345 1.00 35.18 C ATOM 31 CG MET A 1 9.755 13.083 4.443 1.00 34.67 C ATOM 32 SD MET A 1 8.190 12.765 5.278 1.00 35.49 S ATOM 33 CE MET A 1 7.947 14.296 6.179 1.00 35.15 C ATOM 34 H MET A 1 10.254 12.579 1.284 1.00 0.00 H ATOM 35 N LYS A 2 7.336 15.595 1.534 1.00 40.93 N ATOM 36 CA LYS A 2 7.124 16.935 1.023 1.00 43.83 C ATOM 37 C LYS A 2 7.288 17.800 2.242 1.00 41.75 C ATOM 38 O LYS A 2 6.401 17.846 3.092 1.00 44.19 O ATOM 39 CB LYS A 2 5.722 17.088 0.434 1.00 46.38 C ATOM 40 CG LYS A 2 5.599 16.629 -1.012 1.00 50.21 C ATOM 41 CD LYS A 2 5.439 17.806 -1.970 1.00 51.89 C ATOM 42 CE LYS A 2 5.385 17.345 -3.409 1.00 53.82 C ATOM 43 NZ LYS A 2 4.137 16.590 -3.739 1.00 55.95 N ATOM 44 HZ1 LYS A 2 4.074 15.745 -3.135 1.00 0.00 H ATOM 45 HZ2 LYS A 2 3.311 17.199 -3.572 1.00 0.00 H ATOM 46 HZ3 LYS A 2 4.161 16.302 -4.738 1.00 0.00 H ATOM 47 H LYS A 2 6.582 15.148 2.093 1.00 0.00 H ATOM 48 N TRP A 3 8.449 18.426 2.366 1.00 39.60 N ATOM 49 CA TRP A 3 8.725 19.303 3.496 1.00 36.14 C ATOM 50 C TRP A 3 8.102 20.666 3.239 1.00 36.95 C ATOM 51 O TRP A 3 8.604 21.440 2.428 1.00 35.67 O ATOM 52 CB TRP A 3 10.222 19.437 3.720 1.00 35.43 C ATOM 53 CG TRP A 3 10.924 18.162 4.015 1.00 33.82 C ATOM 54 CD1 TRP A 3 11.657 17.398 3.142 1.00 33.58 C ATOM 55 CD2 TRP A 3 11.002 17.505 5.283 1.00 32.84 C ATOM 56 NE1 TRP A 3 12.181 16.311 3.793 1.00 33.53 N ATOM 57 CE2 TRP A 3 11.790 16.345 5.103 1.00 32.39 C ATOM 58 CE3 TRP A 3 10.485 17.785 6.558 1.00 33.04 C ATOM 59 CZ2 TRP A 3 12.075 15.462 6.151 1.00 31.98 C ATOM 60 CZ3 TRP A 3 10.771 16.907 7.599 1.00 31.44 C ATOM 61 CH2 TRP A 3 11.547 15.755 7.382 1.00 31.59 C ATOM 62 HE1 TRP A 3 12.779 15.579 3.360 1.00 0.00 H ATOM 63 H TRP A 3 9.180 18.288 1.640 1.00 0.00 H ATOM 64 N ALA A 4 6.990 20.952 3.916 1.00 36.51 N ATOM 65 CA ALA A 4 6.320 22.255 3.797 1.00 36.76 C ATOM 66 C ALA A 4 7.240 23.440 4.074 1.00 36.30 C ATOM 67 O ALA A 4 7.108 24.486 3.450 1.00 36.79 O ATOM 68 CB ALA A 4 5.102 22.317 4.710 1.00 37.29 C ATOM 69 H ALA A 4 6.584 20.232 4.547 1.00 0.00 H ATOM 70 N TYR A 5 8.167 23.275 5.022 1.00 34.78 N ATOM 71 CA TYR A 5 9.151 24.312 5.317 1.00 34.56 C ATOM 72 C TYR A 5 10.037 24.665 4.114 1.00 34.24 C ATOM 73 O TYR A 5 10.339 25.836 3.895 1.00 34.50 O ATOM 74 CB TYR A 5 10.025 23.903 6.500 1.00 33.26 C ATOM 75 CG TYR A 5 10.955 25.004 6.963 1.00 33.69 C ATOM 76 CD1 TYR A 5 10.456 26.205 7.464 1.00 35.30 C ATOM 77 CD2 TYR A 5 12.335 24.838 6.917 1.00 33.77 C ATOM 78 CE1 TYR A 5 11.306 27.205 7.895 1.00 36.60 C ATOM 79 CE2 TYR A 5 13.201 25.827 7.350 1.00 34.09 C ATOM 80 CZ TYR A 5 12.689 27.009 7.835 1.00 36.68 C ATOM 81 OH TYR A 5 13.562 27.985 8.241 1.00 38.01 O ATOM 82 HH TYR A 5 13.051 28.770 8.562 1.00 0.00 H ATOM 83 H TYR A 5 8.188 22.387 5.562 1.00 0.00 H ATOM 84 N LYS A 6 10.433 23.647 3.352 1.00 33.05 N ATOM 85 CA LYS A 6 11.236 23.833 2.134 1.00 34.22 C ATOM 86 C LYS A 6 10.415 24.275 0.911 1.00 35.30 C ATOM 87 O LYS A 6 10.952 24.918 0.012 1.00 35.49 O ATOM 88 CB LYS A 6 11.982 22.540 1.779 1.00 33.81 C ATOM 89 CG LYS A 6 13.025 22.099 2.793 1.00 33.82 C ATOM 90 CD LYS A 6 13.853 20.979 2.191 1.00 34.94 C ATOM 91 CE LYS A 6 15.015 20.560 3.047 1.00 35.41 C ATOM 92 NZ LYS A 6 15.860 19.604 2.262 1.00 37.06 N ATOM 93 HZ1 LYS A 6 15.291 18.773 2.002 1.00 0.00 H ATOM 94 HZ2 LYS A 6 16.203 20.074 1.400 1.00 0.00 H ATOM 95 HZ3 LYS A 6 16.670 19.304 2.841 1.00 0.00 H ATOM 96 H LYS A 6 10.164 22.682 3.629 1.00 0.00 H ATOM 97 N GLU A 7 9.132 23.918 0.874 1.00 36.18 N ATOM 98 CA GLU A 7 8.233 24.365 -0.206 1.00 38.64 C ATOM 99 C GLU A 7 7.952 25.864 -0.084 1.00 40.06 C ATOM 100 O GLU A 7 7.901 26.596 -1.091 1.00 40.28 O ATOM 101 CB GLU A 7 6.917 23.571 -0.171 1.00 39.42 C ATOM 102 CG GLU A 7 7.079 22.070 -0.404 1.00 39.45 C ATOM 103 CD GLU A 7 7.265 21.699 -1.864 1.00 40.92 C ATOM 104 OE1 GLU A 7 6.612 22.312 -2.725 1.00 43.17 O ATOM 105 OE2 GLU A 7 8.061 20.775 -2.138 1.00 41.45 O ATOM 106 H GLU A 7 8.754 23.308 1.627 1.00 0.00 H ATOM 107 N GLU A 8 7.788 26.321 1.159 1.00 39.95 N ATOM 108 CA GLU A 8 7.452 27.725 1.445 1.00 42.27 C ATOM 109 C GLU A 8 8.661 28.652 1.336 1.00 40.82 C ATOM 110 O GLU A 8 8.531 29.785 0.886 1.00 41.99 O ATOM 111 CB GLU A 8 6.807 27.875 2.841 1.00 44.25 C ATOM 112 CG GLU A 8 5.375 27.344 2.930 1.00 47.78 C ATOM 113 CD GLU A 8 4.940 26.971 4.345 1.00 49.88 C ATOM 114 OE1 GLU A 8 5.373 27.613 5.326 1.00 52.27 O ATOM 115 OE2 GLU A 8 4.152 26.016 4.480 1.00 52.25 O ATOM 116 H GLU A 8 7.902 25.661 1.955 1.00 0.00 H ATOM 117 N ASN A 9 9.827 28.161 1.748 1.00 38.27 N ATOM 118 CA ASN A 9 11.030 28.975 1.903 1.00 37.73 C ATOM 119 C ASN A 9 12.195 28.400 1.122 1.00 36.50 C ATOM 120 O ASN A 9 12.562 27.242 1.333 1.00 34.27 O ATOM 121 CB ASN A 9 11.421 29.033 3.373 1.00 36.95 C ATOM 122 CG ASN A 9 10.273 29.462 4.264 1.00 37.92 C ATOM 123 OD1 ASN A 9 9.866 30.620 4.242 1.00 40.20 O ATOM 124 ND2 ASN A 9 9.750 28.531 5.048 1.00 37.11 N ATOM 125 HD22 ASN A 9 10.130 27.563 5.031 1.00 0.00 H ATOM 126 HD21 ASN A 9 8.960 28.768 5.681 1.00 0.00 H ATOM 127 H ASN A 9 9.885 27.147 1.971 1.00 0.00 H ATOM 128 N ASN A 10 12.801 29.205 0.250 1.00 37.13 N ATOM 129 CA ASN A 10 13.950 28.712 -0.509 1.00 37.21 C ATOM 130 C ASN A 10 15.207 28.534 0.372 1.00 35.26 C ATOM 131 O ASN A 10 15.217 28.902 1.563 1.00 34.77 O ATOM 132 CB ASN A 10 14.202 29.551 -1.771 1.00 39.01 C ATOM 133 CG ASN A 10 14.626 30.982 -1.478 1.00 40.46 C ATOM 134 OD1 ASN A 10 15.331 31.263 -0.507 1.00 39.67 O ATOM 135 ND2 ASN A 10 14.216 31.892 -2.346 1.00 43.12 N ATOM 136 HD22 ASN A 10 13.622 31.611 -3.152 1.00 0.00 H ATOM 137 HD21 ASN A 10 14.488 32.888 -2.222 1.00 0.00 H ATOM 138 H ASN A 10 12.459 30.177 0.110 1.00 0.00 H ATOM 139 N PHE A 11 16.259 27.958 -0.199 1.00 35.55 N ATOM 140 CA PHE A 11 17.477 27.680 0.563 1.00 35.42 C ATOM 141 C PHE A 11 18.083 28.928 1.221 1.00 36.72 C ATOM 142 O PHE A 11 18.467 28.888 2.407 1.00 34.68 O ATOM 143 CB PHE A 11 18.534 27.011 -0.315 1.00 36.29 C ATOM 144 CG PHE A 11 19.834 26.786 0.403 1.00 36.10 C ATOM 145 CD1 PHE A 11 19.945 25.781 1.351 1.00 35.00 C ATOM 146 CD2 PHE A 11 20.921 27.628 0.184 1.00 37.85 C ATOM 147 CE1 PHE A 11 21.130 25.592 2.043 1.00 34.49 C ATOM 148 CE2 PHE A 11 22.109 27.438 0.866 1.00 37.50 C ATOM 149 CZ PHE A 11 22.214 26.417 1.792 1.00 35.82 C ATOM 150 H PHE A 11 16.216 27.700 -1.206 1.00 0.00 H ATOM 151 N GLU A 12 18.163 30.021 0.462 1.00 39.59 N ATOM 152 CA GLU A 12 18.749 31.270 0.988 1.00 42.53 C ATOM 153 C GLU A 12 18.004 31.755 2.232 1.00 41.78 C ATOM 154 O GLU A 12 18.626 32.142 3.231 1.00 40.59 O ATOM 155 CB GLU A 12 18.767 32.372 -0.069 1.00 47.05 C ATOM 156 CG GLU A 12 19.441 33.659 0.401 1.00 50.69 C ATOM 157 CD GLU A 12 19.462 34.753 -0.647 1.00 54.88 C ATOM 158 OE1 GLU A 12 18.591 34.772 -1.543 1.00 56.89 O ATOM 159 OE2 GLU A 12 20.354 35.619 -0.567 1.00 59.17 O ATOM 160 H GLU A 12 17.807 29.994 -0.515 1.00 0.00 H ATOM 161 N LYS A 13 16.676 31.726 2.169 1.00 41.29 N ATOM 162 CA LYS A 13 15.856 32.121 3.307 1.00 41.12 C ATOM 163 C LYS A 13 16.019 31.163 4.497 1.00 37.71 C ATOM 164 O LYS A 13 16.134 31.620 5.636 1.00 36.89 O ATOM 165 CB LYS A 13 14.383 32.270 2.899 1.00 43.59 C ATOM 166 CG LYS A 13 13.475 32.840 3.987 1.00 46.28 C ATOM 167 CD LYS A 13 13.809 34.280 4.378 1.00 49.19 C ATOM 168 CE LYS A 13 13.813 34.481 5.893 1.00 49.70 C ATOM 169 NZ LYS A 13 15.057 33.985 6.549 1.00 47.82 N ATOM 170 HZ1 LYS A 13 15.161 32.966 6.367 1.00 0.00 H ATOM 171 HZ2 LYS A 13 15.878 34.493 6.162 1.00 0.00 H ATOM 172 HZ3 LYS A 13 14.997 34.151 7.574 1.00 0.00 H ATOM 173 H LYS A 13 16.214 31.415 1.291 1.00 0.00 H ATOM 174 N ARG A 14 16.052 29.855 4.242 1.00 34.76 N ATOM 175 CA ARG A 14 16.214 28.871 5.311 1.00 33.39 C ATOM 176 C ARG A 14 17.586 28.961 5.970 1.00 33.35 C ATOM 177 O ARG A 14 17.701 28.943 7.212 1.00 33.17 O ATOM 178 CB ARG A 14 15.946 27.462 4.791 1.00 32.01 C ATOM 179 CG ARG A 14 14.497 27.257 4.411 1.00 32.23 C ATOM 180 CD ARG A 14 14.202 25.834 3.971 1.00 31.49 C ATOM 181 NE ARG A 14 14.551 25.599 2.562 1.00 33.31 N ATOM 182 CZ ARG A 14 15.573 24.859 2.113 1.00 33.44 C ATOM 183 NH1 ARG A 14 15.745 24.718 0.797 1.00 34.94 N ATOM 184 NH2 ARG A 14 16.422 24.259 2.938 1.00 32.42 N ATOM 185 HE ARG A 14 13.947 26.050 1.846 1.00 0.00 H ATOM 186 HH12 ARG A 14 16.534 24.146 0.434 1.00 0.00 H ATOM 187 HH11 ARG A 14 15.090 25.180 0.134 1.00 0.00 H ATOM 188 HH22 ARG A 14 17.205 23.691 2.556 1.00 0.00 H ATOM 189 HH21 ARG A 14 16.304 24.356 3.967 1.00 0.00 H ATOM 190 H ARG A 14 15.960 29.527 3.259 1.00 0.00 H ATOM 191 N ARG A 15 18.619 29.114 5.148 1.00 34.58 N ATOM 192 CA ARG A 15 19.981 29.279 5.649 1.00 36.01 C ATOM 193 C ARG A 15 20.110 30.515 6.540 1.00 36.40 C ATOM 194 O ARG A 15 20.756 30.447 7.576 1.00 35.80 O ATOM 195 CB ARG A 15 20.969 29.342 4.489 1.00 38.67 C ATOM 196 CG ARG A 15 22.404 29.683 4.851 1.00 41.43 C ATOM 197 CD ARG A 15 23.047 28.567 5.628 1.00 41.96 C ATOM 198 NE ARG A 15 24.407 28.921 6.024 1.00 45.40 N ATOM 199 CZ ARG A 15 25.426 28.069 6.159 1.00 47.21 C ATOM 200 NH1 ARG A 15 25.286 26.761 5.924 1.00 47.43 N ATOM 201 NH2 ARG A 15 26.618 28.543 6.520 1.00 49.48 N ATOM 202 HE ARG A 15 24.599 29.925 6.218 1.00 0.00 H ATOM 203 HH12 ARG A 15 26.099 26.122 6.038 1.00 0.00 H ATOM 204 HH11 ARG A 15 24.364 26.382 5.627 1.00 0.00 H ATOM 205 HH22 ARG A 15 27.424 27.895 6.630 1.00 0.00 H ATOM 206 HH21 ARG A 15 26.743 29.561 6.691 1.00 0.00 H ATOM 207 H ARG A 15 18.453 29.116 4.121 1.00 0.00 H ATOM 208 N ALA A 16 19.506 31.633 6.147 1.00 37.20 N ATOM 209 CA ALA A 16 19.542 32.847 6.987 1.00 38.90 C ATOM 210 C ALA A 16 18.932 32.595 8.376 1.00 38.07 C ATOM 211 O ALA A 16 19.490 33.025 9.405 1.00 36.38 O ATOM 212 CB ALA A 16 18.855 34.017 6.295 1.00 40.33 C ATOM 213 H ALA A 16 19.002 31.652 5.237 1.00 0.00 H ATOM 214 N GLU A 17 17.804 31.887 8.393 1.00 37.30 N ATOM 215 CA GLU A 17 17.099 31.563 9.631 1.00 38.19 C ATOM 216 C GLU A 17 17.927 30.598 10.483 1.00 36.04 C ATOM 217 O GLU A 17 18.055 30.798 11.703 1.00 34.98 O ATOM 218 CB GLU A 17 15.721 30.972 9.317 1.00 39.78 C ATOM 219 CG GLU A 17 14.926 30.437 10.507 1.00 40.99 C ATOM 220 CD GLU A 17 14.151 31.490 11.261 1.00 44.21 C ATOM 221 OE1 GLU A 17 14.456 32.703 11.137 1.00 47.47 O ATOM 222 OE2 GLU A 17 13.226 31.089 12.007 1.00 45.31 O ATOM 223 H GLU A 17 17.410 31.552 7.491 1.00 0.00 H ATOM 224 N GLY A 18 18.496 29.578 9.845 1.00 34.71 N ATOM 225 CA GLY A 18 19.366 28.618 10.523 1.00 34.60 C ATOM 226 C GLY A 18 20.593 29.268 11.142 1.00 36.55 C ATOM 227 O GLY A 18 20.943 28.978 12.298 1.00 35.36 O ATOM 228 H GLY A 18 18.315 29.459 8.828 1.00 0.00 H ATOM 229 N ASP A 19 21.247 30.126 10.357 1.00 38.11 N ATOM 230 CA ASP A 19 22.373 30.941 10.823 1.00 41.19 C ATOM 231 C ASP A 19 21.999 31.697 12.088 1.00 40.91 C ATOM 232 O ASP A 19 22.665 31.552 13.126 1.00 40.77 O ATOM 233 CB ASP A 19 22.817 31.964 9.754 1.00 44.78 C ATOM 234 CG ASP A 19 23.735 31.373 8.677 1.00 47.37 C ATOM 235 OD1 ASP A 19 24.381 30.331 8.903 1.00 47.53 O ATOM 236 OD2 ASP A 19 23.839 31.992 7.588 1.00 50.68 O ATOM 237 H ASP A 19 20.943 30.221 9.367 1.00 0.00 H ATOM 238 N LYS A 20 20.923 32.480 12.000 1.00 40.15 N ATOM 239 CA LYS A 20 20.443 33.261 13.146 1.00 41.38 C ATOM 240 C LYS A 20 20.167 32.412 14.383 1.00 38.76 C ATOM 241 O LYS A 20 20.617 32.747 15.469 1.00 37.66 O ATOM 242 CB LYS A 20 19.185 34.076 12.802 1.00 43.10 C ATOM 243 CG LYS A 20 19.475 35.332 11.998 1.00 47.19 C ATOM 244 CD LYS A 20 18.243 36.219 11.890 1.00 49.47 C ATOM 245 CE LYS A 20 18.397 37.271 10.801 1.00 52.65 C ATOM 246 NZ LYS A 20 18.426 36.682 9.431 1.00 52.82 N ATOM 247 HZ1 LYS A 20 19.228 36.024 9.355 1.00 0.00 H ATOM 248 HZ2 LYS A 20 17.538 36.170 9.256 1.00 0.00 H ATOM 249 HZ3 LYS A 20 18.532 37.443 8.730 1.00 0.00 H ATOM 250 H LYS A 20 20.411 32.539 11.097 1.00 0.00 H ATOM 251 N ILE A 21 19.425 31.323 14.221 1.00 36.96 N ATOM 252 CA ILE A 21 18.991 30.548 15.390 1.00 36.74 C ATOM 253 C ILE A 21 20.167 29.771 16.014 1.00 35.67 C ATOM 254 O ILE A 21 20.213 29.587 17.234 1.00 36.01 O ATOM 255 CB ILE A 21 17.784 29.624 15.041 1.00 36.59 C ATOM 256 CG1 ILE A 21 16.927 29.350 16.283 1.00 37.81 C ATOM 257 CG2 ILE A 21 18.240 28.326 14.400 1.00 35.46 C ATOM 258 CD1 ILE A 21 16.116 30.543 16.751 1.00 39.25 C ATOM 259 H ILE A 21 19.151 31.019 13.265 1.00 0.00 H ATOM 260 N ARG A 22 21.117 29.331 15.185 1.00 35.05 N ATOM 261 CA ARG A 22 22.319 28.639 15.683 1.00 34.90 C ATOM 262 C ARG A 22 23.238 29.575 16.472 1.00 38.05 C ATOM 263 O ARG A 22 23.856 29.158 17.465 1.00 39.17 O ATOM 264 CB ARG A 22 23.081 27.952 14.535 1.00 33.94 C ATOM 265 CG ARG A 22 22.416 26.698 13.980 1.00 31.53 C ATOM 266 CD ARG A 22 22.391 25.550 14.975 1.00 30.67 C ATOM 267 NE ARG A 22 23.727 25.146 15.400 1.00 30.60 N ATOM 268 CZ ARG A 22 23.969 24.479 16.520 1.00 30.66 C ATOM 269 NH1 ARG A 22 22.969 24.165 17.324 1.00 30.17 N ATOM 270 NH2 ARG A 22 25.202 24.130 16.841 1.00 30.95 N ATOM 271 HE ARG A 22 24.533 25.395 14.792 1.00 0.00 H ATOM 272 HH12 ARG A 22 23.154 23.642 18.204 1.00 0.00 H ATOM 273 HH11 ARG A 22 21.997 24.441 17.077 1.00 0.00 H ATOM 274 HH22 ARG A 22 25.382 23.607 17.722 1.00 0.00 H ATOM 275 HH21 ARG A 22 25.993 24.378 16.213 1.00 0.00 H ATOM 276 H ARG A 22 21.006 29.481 14.162 1.00 0.00 H ATOM 277 N ARG A 23 23.319 30.842 16.060 1.00 40.82 N ATOM 278 CA ARG A 23 24.053 31.829 16.849 1.00 43.22 C ATOM 279 C ARG A 23 23.315 32.246 18.128 1.00 43.18 C ATOM 280 O ARG A 23 23.957 32.468 19.157 1.00 42.50 O ATOM 281 CB ARG A 23 24.414 33.058 16.004 1.00 47.03 C ATOM 282 CG ARG A 23 25.382 32.776 14.852 1.00 49.56 C ATOM 283 CD ARG A 23 26.669 32.053 15.262 1.00 50.69 C ATOM 284 NE ARG A 23 27.498 32.850 16.177 1.00 54.68 N ATOM 285 CZ ARG A 23 28.426 32.378 17.021 1.00 56.87 C ATOM 286 NH1 ARG A 23 28.694 31.068 17.120 1.00 56.99 N ATOM 287 NH2 ARG A 23 29.092 33.234 17.798 1.00 57.96 N ATOM 288 HE ARG A 23 27.350 33.879 16.169 1.00 0.00 H ATOM 289 HH12 ARG A 23 29.421 30.735 17.785 1.00 0.00 H ATOM 290 HH11 ARG A 23 28.175 30.385 16.532 1.00 0.00 H ATOM 291 HH22 ARG A 23 29.815 32.883 18.458 1.00 0.00 H ATOM 292 HH21 ARG A 23 28.888 34.252 17.744 1.00 0.00 H ATOM 293 H ARG A 23 22.857 31.128 15.173 1.00 0.00 H ATOM 294 N LYS A 24 21.990 32.361 18.070 1.00 41.82 N ATOM 295 CA LYS A 24 21.212 32.759 19.248 1.00 43.13 C ATOM 296 C LYS A 24 21.135 31.669 20.321 1.00 41.00 C ATOM 297 O LYS A 24 21.162 31.985 21.510 1.00 41.15 O ATOM 298 CB LYS A 24 19.801 33.197 18.860 1.00 45.28 C ATOM 299 CG LYS A 24 19.751 34.517 18.118 1.00 48.85 C ATOM 300 CD LYS A 24 18.336 34.856 17.668 1.00 50.92 C ATOM 301 CE LYS A 24 17.471 35.340 18.825 1.00 53.17 C ATOM 302 NZ LYS A 24 16.071 35.598 18.379 1.00 54.93 N ATOM 303 HZ1 LYS A 24 16.073 36.327 17.638 1.00 0.00 H ATOM 304 HZ2 LYS A 24 15.661 34.720 18.002 1.00 0.00 H ATOM 305 HZ3 LYS A 24 15.506 35.926 19.188 1.00 0.00 H ATOM 306 H LYS A 24 21.498 32.165 17.175 1.00 0.00 H ATOM 307 N TYR A 25 21.042 30.406 19.911 1.00 37.81 N ATOM 308 CA TYR A 25 20.837 29.270 20.844 1.00 37.44 C ATOM 309 C TYR A 25 21.799 28.130 20.543 1.00 35.75 C ATOM 310 O TYR A 25 21.382 27.061 20.069 1.00 34.03 O ATOM 311 CB TYR A 25 19.377 28.788 20.781 1.00 37.56 C ATOM 312 CG TYR A 25 18.397 29.897 21.091 1.00 38.96 C ATOM 313 CD1 TYR A 25 18.274 30.393 22.380 1.00 41.63 C ATOM 314 CD2 TYR A 25 17.613 30.471 20.087 1.00 40.43 C ATOM 315 CE1 TYR A 25 17.399 31.437 22.674 1.00 43.70 C ATOM 316 CE2 TYR A 25 16.726 31.503 20.370 1.00 42.25 C ATOM 317 CZ TYR A 25 16.626 31.984 21.661 1.00 44.06 C ATOM 318 OH TYR A 25 15.746 33.008 21.955 1.00 46.09 O ATOM 319 HH TYR A 25 15.804 33.225 22.919 1.00 0.00 H ATOM 320 H TYR A 25 21.116 30.207 18.893 1.00 0.00 H ATOM 321 N PRO A 26 23.101 28.347 20.813 1.00 35.67 N ATOM 322 CA PRO A 26 24.111 27.412 20.312 1.00 35.55 C ATOM 323 C PRO A 26 24.060 25.996 20.884 1.00 34.88 C ATOM 324 O PRO A 26 24.502 25.066 20.206 1.00 34.38 O ATOM 325 CB PRO A 26 25.446 28.106 20.637 1.00 37.17 C ATOM 326 CG PRO A 26 25.136 29.133 21.659 1.00 38.59 C ATOM 327 CD PRO A 26 23.691 29.497 21.518 1.00 38.19 C ATOM 328 N ASP A 27 23.516 25.809 22.095 1.00 34.31 N ATOM 329 CA ASP A 27 23.402 24.452 22.657 1.00 34.00 C ATOM 330 C ASP A 27 22.057 23.758 22.432 1.00 33.52 C ATOM 331 O ASP A 27 21.825 22.651 22.943 1.00 34.94 O ATOM 332 CB ASP A 27 23.775 24.503 24.131 1.00 35.97 C ATOM 333 CG ASP A 27 25.181 25.013 24.328 1.00 37.37 C ATOM 334 OD1 ASP A 27 26.081 24.555 23.591 1.00 37.12 O ATOM 335 OD2 ASP A 27 25.406 25.885 25.183 1.00 38.54 O ATOM 336 H ASP A 27 23.173 26.626 22.640 1.00 0.00 H ATOM 337 N ARG A 28 21.200 24.361 21.612 1.00 32.32 N ATOM 338 CA ARG A 28 19.960 23.748 21.234 1.00 31.39 C ATOM 339 C ARG A 28 20.011 23.368 19.755 1.00 30.43 C ATOM 340 O ARG A 28 20.632 24.050 18.954 1.00 30.54 O ATOM 341 CB ARG A 28 18.779 24.662 21.557 1.00 33.00 C ATOM 342 CG ARG A 28 18.334 24.427 22.994 1.00 34.22 C ATOM 343 CD ARG A 28 17.324 25.399 23.496 1.00 36.02 C ATOM 344 NE ARG A 28 17.162 25.181 24.932 1.00 36.19 N ATOM 345 CZ ARG A 28 16.246 24.394 25.511 1.00 35.91 C ATOM 346 NH1 ARG A 28 15.329 23.726 24.796 1.00 34.54 N ATOM 347 NH2 ARG A 28 16.238 24.294 26.838 1.00 35.94 N ATOM 348 HE ARG A 28 17.819 25.684 25.563 1.00 0.00 H ATOM 349 HH12 ARG A 28 14.632 23.123 25.278 1.00 0.00 H ATOM 350 HH11 ARG A 28 15.315 23.811 23.760 1.00 0.00 H ATOM 351 HH22 ARG A 28 15.536 23.689 27.310 1.00 0.00 H ATOM 352 HH21 ARG A 28 16.934 24.821 27.403 1.00 0.00 H ATOM 353 H ARG A 28 21.436 25.301 21.235 1.00 0.00 H ATOM 354 N ILE A 29 19.391 22.251 19.435 1.00 29.11 N ATOM 355 CA ILE A 29 19.360 21.759 18.078 1.00 28.52 C ATOM 356 C ILE A 29 18.069 22.275 17.437 1.00 28.11 C ATOM 357 O ILE A 29 16.999 22.044 17.973 1.00 27.95 O ATOM 358 CB ILE A 29 19.402 20.221 18.062 1.00 28.60 C ATOM 359 CG1 ILE A 29 20.613 19.680 18.837 1.00 29.67 C ATOM 360 CG2 ILE A 29 19.345 19.693 16.636 1.00 28.49 C ATOM 361 CD1 ILE A 29 21.918 20.365 18.530 1.00 30.31 C ATOM 362 H ILE A 29 18.910 21.708 20.181 1.00 0.00 H ATOM 363 N PRO A 30 18.169 22.967 16.293 1.00 28.74 N ATOM 364 CA PRO A 30 16.960 23.395 15.592 1.00 29.27 C ATOM 365 C PRO A 30 16.443 22.273 14.708 1.00 28.26 C ATOM 366 O PRO A 30 17.166 21.785 13.865 1.00 28.13 O ATOM 367 CB PRO A 30 17.428 24.597 14.775 1.00 30.41 C ATOM 368 CG PRO A 30 18.883 24.350 14.523 1.00 30.49 C ATOM 369 CD PRO A 30 19.390 23.421 15.597 1.00 29.58 C ATOM 370 N VAL A 31 15.225 21.832 14.952 1.00 28.60 N ATOM 371 CA VAL A 31 14.689 20.653 14.284 1.00 29.16 C ATOM 372 C VAL A 31 13.385 21.029 13.604 1.00 29.55 C ATOM 373 O VAL A 31 12.564 21.757 14.176 1.00 29.79 O ATOM 374 CB VAL A 31 14.473 19.449 15.234 1.00 30.69 C ATOM 375 CG1 VAL A 31 15.758 19.117 15.993 1.00 30.66 C ATOM 376 CG2 VAL A 31 13.374 19.710 16.220 1.00 33.34 C ATOM 377 H VAL A 31 14.631 22.339 15.639 1.00 0.00 H ATOM 378 N ILE A 32 13.220 20.547 12.375 1.00 28.68 N ATOM 379 CA ILE A 32 11.967 20.686 11.628 1.00 29.19 C ATOM 380 C ILE A 32 11.358 19.299 11.647 1.00 28.82 C ATOM 381 O ILE A 32 11.994 18.352 11.191 1.00 28.48 O ATOM 382 CB ILE A 32 12.217 21.109 10.154 1.00 30.66 C ATOM 383 CG1 ILE A 32 13.012 22.423 10.074 1.00 32.22 C ATOM 384 CG2 ILE A 32 10.904 21.185 9.378 1.00 31.26 C ATOM 385 CD1 ILE A 32 12.391 23.622 10.744 1.00 32.97 C ATOM 386 H ILE A 32 14.015 20.050 11.925 1.00 0.00 H ATOM 387 N VAL A 33 10.162 19.181 12.209 1.00 29.38 N ATOM 388 CA VAL A 33 9.464 17.911 12.341 1.00 29.88 C ATOM 389 C VAL A 33 8.215 17.947 11.464 1.00 31.26 C ATOM 390 O VAL A 33 7.422 18.893 11.551 1.00 32.98 O ATOM 391 CB VAL A 33 9.095 17.654 13.820 1.00 31.09 C ATOM 392 CG1 VAL A 33 8.357 16.342 13.978 1.00 32.17 C ATOM 393 CG2 VAL A 33 10.343 17.687 14.689 1.00 30.92 C ATOM 394 H VAL A 33 9.700 20.039 12.573 1.00 0.00 H ATOM 395 N GLU A 34 8.041 16.940 10.602 1.00 30.76 N ATOM 396 CA GLU A 34 6.859 16.867 9.736 1.00 31.12 C ATOM 397 C GLU A 34 6.384 15.432 9.583 1.00 30.18 C ATOM 398 O GLU A 34 7.184 14.483 9.673 1.00 28.52 O ATOM 399 CB GLU A 34 7.142 17.489 8.355 1.00 32.94 C ATOM 400 CG GLU A 34 7.384 18.997 8.406 1.00 34.85 C ATOM 401 CD GLU A 34 7.262 19.696 7.063 1.00 37.52 C ATOM 402 OE1 GLU A 34 6.348 19.327 6.295 1.00 38.95 O ATOM 403 OE2 GLU A 34 8.068 20.638 6.786 1.00 39.59 O ATOM 404 H GLU A 34 8.760 16.191 10.544 1.00 0.00 H ATOM 405 N LYS A 35 5.087 15.290 9.350 1.00 30.90 N ATOM 406 CA LYS A 35 4.446 13.985 9.223 1.00 31.78 C ATOM 407 C LYS A 35 4.607 13.454 7.803 1.00 32.30 C ATOM 408 O LYS A 35 4.489 14.209 6.831 1.00 32.61 O ATOM 409 CB LYS A 35 2.968 14.093 9.547 1.00 34.06 C ATOM 410 CG LYS A 35 2.244 12.747 9.605 1.00 35.91 C ATOM 411 CD LYS A 35 0.792 12.892 10.063 1.00 38.20 C ATOM 412 CE LYS A 35 -0.068 13.733 9.129 1.00 40.37 C ATOM 413 NZ LYS A 35 0.009 13.342 7.700 1.00 41.60 N ATOM 414 HZ1 LYS A 35 0.991 13.432 7.370 1.00 0.00 H ATOM 415 HZ2 LYS A 35 -0.305 12.356 7.594 1.00 0.00 H ATOM 416 HZ3 LYS A 35 -0.605 13.965 7.138 1.00 0.00 H ATOM 417 H LYS A 35 4.502 16.144 9.254 1.00 0.00 H ATOM 418 N ALA A 36 4.843 12.155 7.695 1.00 32.85 N ATOM 419 CA ALA A 36 4.852 11.475 6.405 1.00 34.91 C ATOM 420 C ALA A 36 3.498 11.644 5.678 1.00 37.76 C ATOM 421 O ALA A 36 2.437 11.567 6.303 1.00 37.41 O ATOM 422 CB ALA A 36 5.214 9.993 6.589 1.00 35.36 C ATOM 423 H ALA A 36 5.028 11.603 8.557 1.00 0.00 H ATOM 424 N PRO A 37 3.530 11.929 4.359 1.00 40.04 N ATOM 425 CA PRO A 37 2.283 11.948 3.595 1.00 43.51 C ATOM 426 C PRO A 37 1.557 10.598 3.706 1.00 44.75 C ATOM 427 O PRO A 37 2.209 9.554 3.808 1.00 47.21 O ATOM 428 CB PRO A 37 2.728 12.210 2.151 1.00 43.63 C ATOM 429 CG PRO A 37 4.137 12.679 2.222 1.00 42.28 C ATOM 430 CD PRO A 37 4.689 12.402 3.583 1.00 40.68 C ATOM 431 N LYS A 38 0.235 10.659 3.767 1.00 46.59 N ATOM 432 CA LYS A 38 -0.666 9.500 3.900 1.00 47.88 C ATOM 433 C LYS A 38 -0.761 8.915 5.314 1.00 46.01 C ATOM 434 O LYS A 38 -1.666 8.124 5.562 1.00 45.56 O ATOM 435 CB LYS A 38 -0.378 8.376 2.881 1.00 50.11 C ATOM 436 CG LYS A 38 -0.446 8.801 1.419 1.00 52.97 C ATOM 437 CD LYS A 38 0.081 7.695 0.507 1.00 54.75 C ATOM 438 CE LYS A 38 0.115 8.104 -0.961 1.00 56.50 C ATOM 439 NZ LYS A 38 -0.926 7.428 -1.784 1.00 59.38 N ATOM 440 HZ1 LYS A 38 -0.785 6.398 -1.741 1.00 0.00 H ATOM 441 HZ2 LYS A 38 -1.868 7.666 -1.413 1.00 0.00 H ATOM 442 HZ3 LYS A 38 -0.849 7.749 -2.770 1.00 0.00 H ATOM 443 H LYS A 38 -0.203 11.601 3.717 1.00 0.00 H ATOM 444 N SER A 39 0.136 9.285 6.236 1.00 42.20 N ATOM 445 CA SER A 39 -0.015 8.836 7.618 1.00 41.62 C ATOM 446 C SER A 39 -1.253 9.506 8.229 1.00 43.00 C ATOM 447 O SER A 39 -1.446 10.714 8.080 1.00 42.17 O ATOM 448 CB SER A 39 1.200 9.152 8.470 1.00 39.25 C ATOM 449 OG SER A 39 0.935 8.804 9.817 1.00 39.67 O ATOM 450 HG SER A 39 0.734 7.836 9.873 1.00 0.00 H ATOM 451 H SER A 39 0.938 9.891 5.969 1.00 0.00 H ATOM 452 N LYS A 40 -2.070 8.710 8.913 1.00 44.39 N ATOM 453 CA LYS A 40 -3.294 9.205 9.553 1.00 47.20 C ATOM 454 C LYS A 40 -3.072 9.651 10.997 1.00 45.89 C ATOM 455 O LYS A 40 -4.028 9.913 11.713 1.00 46.97 O ATOM 456 CB LYS A 40 -4.384 8.138 9.487 1.00 50.79 C ATOM 457 CG LYS A 40 -4.872 7.878 8.073 1.00 53.53 C ATOM 458 CD LYS A 40 -5.771 6.653 8.019 1.00 57.27 C ATOM 459 CE LYS A 40 -6.986 6.891 7.148 1.00 60.46 C ATOM 460 NZ LYS A 40 -7.999 7.704 7.875 1.00 63.58 N ATOM 461 HZ1 LYS A 40 -8.294 7.200 8.736 1.00 0.00 H ATOM 462 HZ2 LYS A 40 -7.584 8.622 8.134 1.00 0.00 H ATOM 463 HZ3 LYS A 40 -8.825 7.857 7.261 1.00 0.00 H ATOM 464 H LYS A 40 -1.833 7.701 8.997 1.00 0.00 H ATOM 465 N LEU A 41 -1.815 9.759 11.419 1.00 43.90 N ATOM 466 CA LEU A 41 -1.488 10.374 12.704 1.00 43.49 C ATOM 467 C LEU A 41 -1.827 11.864 12.698 1.00 43.71 C ATOM 468 O LEU A 41 -1.886 12.480 11.638 1.00 43.19 O ATOM 469 CB LEU A 41 -0.013 10.209 13.021 1.00 41.19 C ATOM 470 CG LEU A 41 0.520 8.796 13.269 1.00 40.96 C ATOM 471 CD1 LEU A 41 2.005 8.869 13.542 1.00 39.09 C ATOM 472 CD2 LEU A 41 -0.208 8.144 14.433 1.00 42.74 C ATOM 473 H LEU A 41 -1.046 9.397 10.820 1.00 0.00 H ATOM 474 N HIS A 42 -2.065 12.416 13.889 1.00 45.28 N ATOM 475 CA HIS A 42 -2.262 13.865 14.071 1.00 47.02 C ATOM 476 C HIS A 42 -1.083 14.613 13.459 1.00 45.04 C ATOM 477 O HIS A 42 0.072 14.209 13.615 1.00 42.00 O ATOM 478 CB HIS A 42 -2.386 14.218 15.566 1.00 49.81 C ATOM 479 CG HIS A 42 -2.496 15.693 15.863 1.00 52.56 C ATOM 480 ND1 HIS A 42 -3.476 16.500 15.325 1.00 55.02 N ATOM 481 CD2 HIS A 42 -1.764 16.495 16.676 1.00 52.98 C ATOM 482 CE1 HIS A 42 -3.338 17.733 15.781 1.00 54.91 C ATOM 483 NE2 HIS A 42 -2.307 17.756 16.604 1.00 54.10 N ATOM 484 H HIS A 42 -2.114 11.798 14.724 1.00 0.00 H ATOM 485 N ASP A 43 -1.397 15.688 12.746 1.00 46.08 N ATOM 486 CA ASP A 43 -0.396 16.622 12.252 1.00 46.11 C ATOM 487 C ASP A 43 0.021 17.481 13.444 1.00 45.56 C ATOM 488 O ASP A 43 -0.833 18.049 14.113 1.00 47.12 O ATOM 489 CB ASP A 43 -1.000 17.524 11.160 1.00 48.86 C ATOM 490 CG ASP A 43 -0.230 17.494 9.863 1.00 48.85 C ATOM 491 OD1 ASP A 43 0.989 17.241 9.875 1.00 49.44 O ATOM 492 OD2 ASP A 43 -0.865 17.734 8.816 1.00 51.32 O ATOM 493 H ASP A 43 -2.398 15.870 12.532 1.00 0.00 H ATOM 494 N LEU A 44 1.318 17.569 13.722 1.00 43.67 N ATOM 495 CA LEU A 44 1.809 18.460 14.776 1.00 44.49 C ATOM 496 C LEU A 44 1.395 19.897 14.485 1.00 45.36 C ATOM 497 O LEU A 44 1.495 20.358 13.343 1.00 44.97 O ATOM 498 CB LEU A 44 3.328 18.417 14.882 1.00 42.90 C ATOM 499 CG LEU A 44 3.968 17.365 15.774 1.00 43.13 C ATOM 500 CD1 LEU A 44 5.467 17.428 15.558 1.00 41.84 C ATOM 501 CD2 LEU A 44 3.612 17.592 17.237 1.00 45.11 C ATOM 502 H LEU A 44 1.996 16.995 13.182 1.00 0.00 H ATOM 503 N ASP A 45 0.948 20.603 15.517 1.00 45.93 N ATOM 504 CA ASP A 45 0.602 22.007 15.363 1.00 47.20 C ATOM 505 C ASP A 45 1.836 22.880 15.086 1.00 46.31 C ATOM 506 O ASP A 45 1.768 23.811 14.293 1.00 47.18 O ATOM 507 CB ASP A 45 -0.123 22.507 16.605 1.00 48.03 C ATOM 508 CG ASP A 45 -0.661 23.887 16.422 1.00 49.86 C ATOM 509 OD1 ASP A 45 -1.488 24.075 15.506 1.00 50.78 O ATOM 510 OD2 ASP A 45 -0.241 24.788 17.175 1.00 49.39 O ATOM 511 H ASP A 45 0.844 20.147 16.446 1.00 0.00 H ATOM 512 N LYS A 46 2.948 22.568 15.751 1.00 45.40 N ATOM 513 CA LYS A 46 4.216 23.273 15.566 1.00 45.86 C ATOM 514 C LYS A 46 5.261 22.339 14.957 1.00 42.82 C ATOM 515 O LYS A 46 5.415 21.212 15.415 1.00 43.01 O ATOM 516 CB LYS A 46 4.721 23.766 16.917 1.00 46.81 C ATOM 517 CG LYS A 46 3.800 24.745 17.626 1.00 50.34 C ATOM 518 CD LYS A 46 3.658 26.035 16.839 1.00 51.61 C ATOM 519 CE LYS A 46 2.959 27.104 17.652 1.00 54.65 C ATOM 520 NZ LYS A 46 2.824 28.348 16.852 1.00 56.22 N ATOM 521 HZ1 LYS A 46 3.768 28.688 16.580 1.00 0.00 H ATOM 522 HZ2 LYS A 46 2.266 28.150 15.997 1.00 0.00 H ATOM 523 HZ3 LYS A 46 2.343 29.074 17.421 1.00 0.00 H ATOM 524 H LYS A 46 2.912 21.785 16.435 1.00 0.00 H ATOM 525 N LYS A 47 5.964 22.810 13.931 1.00 42.83 N ATOM 526 CA LYS A 47 7.016 22.018 13.267 1.00 42.13 C ATOM 527 C LYS A 47 8.448 22.402 13.643 1.00 38.63 C ATOM 528 O LYS A 47 9.376 21.645 13.348 1.00 35.26 O ATOM 529 CB LYS A 47 6.852 22.074 11.739 1.00 45.27 C ATOM 530 CG LYS A 47 7.255 23.370 11.046 1.00 47.93 C ATOM 531 CD LYS A 47 6.921 23.286 9.555 1.00 50.25 C ATOM 532 CE LYS A 47 6.852 24.652 8.901 1.00 52.35 C ATOM 533 NZ LYS A 47 6.139 24.581 7.597 1.00 54.44 N ATOM 534 HZ1 LYS A 47 6.644 23.931 6.962 1.00 0.00 H ATOM 535 HZ2 LYS A 47 5.171 24.234 7.751 1.00 0.00 H ATOM 536 HZ3 LYS A 47 6.105 25.529 7.170 1.00 0.00 H ATOM 537 H LYS A 47 5.765 23.770 13.585 1.00 0.00 H ATOM 538 N LYS A 48 8.628 23.562 14.277 1.00 37.71 N ATOM 539 CA LYS A 48 9.965 24.114 14.546 1.00 36.09 C ATOM 540 C LYS A 48 10.244 23.944 16.035 1.00 34.35 C ATOM 541 O LYS A 48 9.510 24.491 16.850 1.00 33.90 O ATOM 542 CB LYS A 48 10.015 25.610 14.204 1.00 38.62 C ATOM 543 CG LYS A 48 10.329 25.994 12.758 1.00 41.02 C ATOM 544 CD LYS A 48 10.148 27.502 12.563 1.00 43.38 C ATOM 545 CE LYS A 48 10.915 28.061 11.370 1.00 44.72 C ATOM 546 NZ LYS A 48 10.904 29.561 11.319 1.00 45.78 N ATOM 547 HZ1 LYS A 48 9.922 29.897 11.251 1.00 0.00 H ATOM 548 HZ2 LYS A 48 11.342 29.939 12.183 1.00 0.00 H ATOM 549 HZ3 LYS A 48 11.440 29.882 10.488 1.00 0.00 H ATOM 550 H LYS A 48 7.793 24.095 14.593 1.00 0.00 H ATOM 551 N TYR A 49 11.308 23.225 16.387 1.00 31.95 N ATOM 552 CA TYR A 49 11.660 22.996 17.806 1.00 31.48 C ATOM 553 C TYR A 49 13.131 23.278 18.068 1.00 30.49 C ATOM 554 O TYR A 49 13.985 23.105 17.180 1.00 30.00 O ATOM 555 CB TYR A 49 11.350 21.564 18.221 1.00 32.11 C ATOM 556 CG TYR A 49 9.906 21.211 18.133 1.00 33.99 C ATOM 557 CD1 TYR A 49 9.350 20.763 16.936 1.00 33.95 C ATOM 558 CD2 TYR A 49 9.088 21.313 19.245 1.00 37.20 C ATOM 559 CE1 TYR A 49 8.003 20.432 16.862 1.00 36.74 C ATOM 560 CE2 TYR A 49 7.747 20.984 19.185 1.00 38.61 C ATOM 561 CZ TYR A 49 7.204 20.552 17.993 1.00 38.13 C ATOM 562 OH TYR A 49 5.854 20.247 17.960 1.00 40.79 O ATOM 563 HH TYR A 49 5.605 19.953 17.048 1.00 0.00 H ATOM 564 H TYR A 49 11.908 22.813 15.644 1.00 0.00 H ATOM 565 N LEU A 50 13.425 23.718 19.290 1.00 29.62 N ATOM 566 CA LEU A 50 14.798 23.901 19.731 1.00 29.63 C ATOM 567 C LEU A 50 15.003 22.932 20.869 1.00 28.93 C ATOM 568 O LEU A 50 14.428 23.108 21.935 1.00 29.21 O ATOM 569 CB LEU A 50 15.026 25.333 20.203 1.00 30.86 C ATOM 570 CG LEU A 50 15.230 26.367 19.101 1.00 31.24 C ATOM 571 CD1 LEU A 50 15.173 27.764 19.701 1.00 32.88 C ATOM 572 CD2 LEU A 50 16.551 26.138 18.391 1.00 31.00 C ATOM 573 H LEU A 50 12.650 23.937 19.948 1.00 0.00 H ATOM 574 N VAL A 51 15.822 21.917 20.639 1.00 28.09 N ATOM 575 CA VAL A 51 15.878 20.757 21.533 1.00 29.44 C ATOM 576 C VAL A 51 17.257 20.697 22.205 1.00 28.66 C ATOM 577 O VAL A 51 18.253 20.919 21.524 1.00 28.51 O ATOM 578 CB VAL A 51 15.562 19.460 20.761 1.00 30.37 C ATOM 579 CG1 VAL A 51 14.285 19.638 19.940 1.00 31.54 C ATOM 580 CG2 VAL A 51 16.665 19.052 19.830 1.00 31.84 C ATOM 581 H VAL A 51 16.441 21.944 19.803 1.00 0.00 H ATOM 582 N PRO A 52 17.327 20.392 23.517 1.00 28.84 N ATOM 583 CA PRO A 52 18.661 20.277 24.134 1.00 29.45 C ATOM 584 C PRO A 52 19.542 19.244 23.423 1.00 28.59 C ATOM 585 O PRO A 52 19.041 18.181 23.015 1.00 28.30 O ATOM 586 CB PRO A 52 18.351 19.839 25.565 1.00 30.50 C ATOM 587 CG PRO A 52 16.953 20.325 25.822 1.00 31.75 C ATOM 588 CD PRO A 52 16.254 20.182 24.499 1.00 30.17 C ATOM 589 N SER A 53 20.831 19.556 23.253 1.00 28.64 N ATOM 590 CA SER A 53 21.735 18.714 22.448 1.00 28.49 C ATOM 591 C SER A 53 21.889 17.270 22.975 1.00 29.17 C ATOM 592 O SER A 53 22.132 16.353 22.188 1.00 29.16 O ATOM 593 CB SER A 53 23.127 19.361 22.361 1.00 29.40 C ATOM 594 OG SER A 53 23.696 19.438 23.668 1.00 30.95 O ATOM 595 HG SER A 53 24.592 19.855 23.612 1.00 0.00 H ATOM 596 H SER A 53 21.206 20.416 23.701 1.00 0.00 H ATOM 597 N ASP A 54 21.748 17.070 24.284 1.00 30.15 N ATOM 598 CA ASP A 54 21.947 15.752 24.897 1.00 31.27 C ATOM 599 C ASP A 54 20.666 14.952 25.158 1.00 30.89 C ATOM 600 O ASP A 54 20.714 13.852 25.723 1.00 30.73 O ATOM 601 CB ASP A 54 22.758 15.894 26.180 1.00 33.38 C ATOM 602 CG ASP A 54 24.206 16.170 25.901 1.00 34.71 C ATOM 603 OD1 ASP A 54 24.778 15.455 25.047 1.00 37.49 O ATOM 604 OD2 ASP A 54 24.773 17.110 26.491 1.00 34.71 O ATOM 605 H ASP A 54 21.489 17.874 24.891 1.00 0.00 H ATOM 606 N LEU A 55 19.534 15.498 24.749 1.00 31.09 N ATOM 607 CA LEU A 55 18.271 14.764 24.772 1.00 31.18 C ATOM 608 C LEU A 55 18.394 13.599 23.787 1.00 31.12 C ATOM 609 O LEU A 55 18.877 13.792 22.672 1.00 30.68 O ATOM 610 CB LEU A 55 17.137 15.677 24.336 1.00 31.80 C ATOM 611 CG LEU A 55 15.738 15.129 24.610 1.00 33.01 C ATOM 612 CD1 LEU A 55 15.375 15.383 26.062 1.00 35.38 C ATOM 613 CD2 LEU A 55 14.716 15.714 23.670 1.00 33.05 C ATOM 614 H LEU A 55 19.543 16.478 24.401 1.00 0.00 H ATOM 615 N THR A 56 17.986 12.409 24.203 1.00 32.07 N ATOM 616 CA THR A 56 18.087 11.236 23.332 1.00 32.25 C ATOM 617 C THR A 56 16.898 11.192 22.396 1.00 32.07 C ATOM 618 O THR A 56 15.855 11.804 22.648 1.00 29.79 O ATOM 619 CB THR A 56 18.141 9.906 24.102 1.00 33.73 C ATOM 620 OG1 THR A 56 16.924 9.719 24.837 1.00 34.44 O ATOM 621 CG2 THR A 56 19.339 9.855 25.053 1.00 35.86 C ATOM 622 HG1 THR A 56 16.809 10.464 25.478 1.00 0.00 H ATOM 623 H THR A 56 17.589 12.307 25.159 1.00 0.00 H ATOM 624 N VAL A 57 17.062 10.427 21.322 1.00 31.27 N ATOM 625 CA VAL A 57 15.952 10.101 20.422 1.00 31.66 C ATOM 626 C VAL A 57 14.776 9.513 21.186 1.00 32.08 C ATOM 627 O VAL A 57 13.619 9.916 20.977 1.00 33.29 O ATOM 628 CB VAL A 57 16.437 9.098 19.354 1.00 32.19 C ATOM 629 CG1 VAL A 57 15.267 8.432 18.643 1.00 32.77 C ATOM 630 CG2 VAL A 57 17.338 9.813 18.374 1.00 31.98 C ATOM 631 H VAL A 57 18.008 10.048 21.113 1.00 0.00 H ATOM 632 N GLY A 58 15.078 8.560 22.064 1.00 33.32 N ATOM 633 CA GLY A 58 14.073 7.921 22.911 1.00 34.60 C ATOM 634 C GLY A 58 13.267 8.936 23.708 1.00 35.38 C ATOM 635 O GLY A 58 12.046 8.833 23.791 1.00 35.77 O ATOM 636 H GLY A 58 16.069 8.258 22.151 1.00 0.00 H ATOM 637 N GLN A 59 13.949 9.923 24.286 1.00 34.47 N ATOM 638 CA GLN A 59 13.273 10.953 25.090 1.00 35.40 C ATOM 639 C GLN A 59 12.445 11.891 24.209 1.00 34.56 C ATOM 640 O GLN A 59 11.350 12.314 24.586 1.00 34.68 O ATOM 641 CB GLN A 59 14.302 11.753 25.891 1.00 35.86 C ATOM 642 CG GLN A 59 15.006 10.940 26.960 1.00 37.80 C ATOM 643 CD GLN A 59 16.180 11.686 27.586 1.00 38.52 C ATOM 644 OE1 GLN A 59 17.048 12.213 26.895 1.00 36.04 O ATOM 645 NE2 GLN A 59 16.195 11.742 28.910 1.00 40.94 N ATOM 646 HE22 GLN A 59 15.441 11.282 29.459 1.00 0.00 H ATOM 647 HE21 GLN A 59 16.961 12.246 29.401 1.00 0.00 H ATOM 648 H GLN A 59 14.981 9.967 24.167 1.00 0.00 H ATOM 649 N PHE A 60 12.980 12.204 23.038 1.00 33.28 N ATOM 650 CA PHE A 60 12.256 12.963 22.020 1.00 33.75 C ATOM 651 C PHE A 60 10.983 12.246 21.547 1.00 35.00 C ATOM 652 O PHE A 60 9.932 12.895 21.420 1.00 34.09 O ATOM 653 CB PHE A 60 13.193 13.254 20.852 1.00 33.43 C ATOM 654 CG PHE A 60 12.653 14.234 19.866 1.00 32.88 C ATOM 655 CD1 PHE A 60 12.412 15.552 20.235 1.00 33.63 C ATOM 656 CD2 PHE A 60 12.398 13.846 18.553 1.00 32.59 C ATOM 657 CE1 PHE A 60 11.913 16.464 19.317 1.00 34.09 C ATOM 658 CE2 PHE A 60 11.922 14.759 17.632 1.00 32.77 C ATOM 659 CZ PHE A 60 11.673 16.069 18.018 1.00 32.85 C ATOM 660 H PHE A 60 13.953 11.898 22.835 1.00 0.00 H ATOM 661 N TYR A 61 11.062 10.926 21.318 1.00 36.30 N ATOM 662 CA TYR A 61 9.864 10.087 21.019 1.00 38.27 C ATOM 663 C TYR A 61 8.780 10.339 22.043 1.00 39.90 C ATOM 664 O TYR A 61 7.611 10.523 21.689 1.00 40.48 O ATOM 665 CB TYR A 61 10.156 8.560 21.014 1.00 40.53 C ATOM 666 CG TYR A 61 10.550 7.915 19.678 1.00 41.11 C ATOM 667 CD1 TYR A 61 9.654 7.838 18.607 1.00 41.66 C ATOM 668 CD2 TYR A 61 11.807 7.305 19.516 1.00 41.89 C ATOM 669 CE1 TYR A 61 10.024 7.225 17.396 1.00 41.48 C ATOM 670 CE2 TYR A 61 12.181 6.692 18.320 1.00 41.02 C ATOM 671 CZ TYR A 61 11.295 6.652 17.253 1.00 41.11 C ATOM 672 OH TYR A 61 11.679 6.042 16.051 1.00 36.87 O ATOM 673 HH TYR A 61 10.935 6.101 15.400 1.00 0.00 H ATOM 674 H TYR A 61 11.996 10.469 21.350 1.00 0.00 H ATOM 675 N PHE A 62 9.161 10.328 23.316 1.00 40.70 N ATOM 676 CA PHE A 62 8.180 10.471 24.392 1.00 43.50 C ATOM 677 C PHE A 62 7.530 11.856 24.411 1.00 42.74 C ATOM 678 O PHE A 62 6.340 11.967 24.687 1.00 43.33 O ATOM 679 CB PHE A 62 8.794 10.133 25.756 1.00 46.95 C ATOM 680 CG PHE A 62 9.041 8.653 25.969 1.00 50.02 C ATOM 681 CD1 PHE A 62 7.985 7.740 25.933 1.00 52.26 C ATOM 682 CD2 PHE A 62 10.327 8.171 26.238 1.00 51.82 C ATOM 683 CE1 PHE A 62 8.208 6.382 26.141 1.00 53.53 C ATOM 684 CE2 PHE A 62 10.555 6.812 26.440 1.00 52.59 C ATOM 685 CZ PHE A 62 9.493 5.919 26.395 1.00 53.96 C ATOM 686 H PHE A 62 10.168 10.216 23.550 1.00 0.00 H ATOM 687 N LEU A 63 8.292 12.900 24.092 1.00 40.59 N ATOM 688 CA LEU A 63 7.738 14.262 24.049 1.00 40.80 C ATOM 689 C LEU A 63 6.795 14.455 22.853 1.00 40.71 C ATOM 690 O LEU A 63 5.703 15.008 23.008 1.00 40.98 O ATOM 691 CB LEU A 63 8.859 15.298 24.032 1.00 40.52 C ATOM 692 CG LEU A 63 9.797 15.276 25.243 1.00 41.85 C ATOM 693 CD1 LEU A 63 10.959 16.218 24.993 1.00 41.96 C ATOM 694 CD2 LEU A 63 9.080 15.626 26.544 1.00 44.65 C ATOM 695 H LEU A 63 9.297 12.750 23.869 1.00 0.00 H ATOM 696 N ILE A 64 7.202 13.970 21.679 1.00 38.64 N ATOM 697 CA ILE A 64 6.374 14.068 20.469 1.00 39.51 C ATOM 698 C ILE A 64 5.099 13.223 20.590 1.00 41.14 C ATOM 699 O ILE A 64 4.018 13.663 20.180 1.00 40.21 O ATOM 700 CB ILE A 64 7.188 13.674 19.199 1.00 37.72 C ATOM 701 CG1 ILE A 64 8.346 14.663 18.974 1.00 36.90 C ATOM 702 CG2 ILE A 64 6.304 13.596 17.952 1.00 37.92 C ATOM 703 CD1 ILE A 64 7.938 16.127 18.915 1.00 37.30 C ATOM 704 H ILE A 64 8.132 13.509 21.618 1.00 0.00 H ATOM 705 N ARG A 65 5.226 12.030 21.169 1.00 42.15 N ATOM 706 CA ARG A 65 4.077 11.161 21.422 1.00 46.49 C ATOM 707 C ARG A 65 2.955 11.900 22.171 1.00 48.60 C ATOM 708 O ARG A 65 1.794 11.804 21.784 1.00 48.92 O ATOM 709 CB ARG A 65 4.505 9.907 22.194 1.00 49.19 C ATOM 710 CG ARG A 65 3.543 8.743 22.063 1.00 53.34 C ATOM 711 CD ARG A 65 4.098 7.444 22.637 1.00 55.40 C ATOM 712 NE ARG A 65 3.838 6.321 21.730 1.00 57.13 N ATOM 713 CZ ARG A 65 4.709 5.786 20.864 1.00 56.60 C ATOM 714 NH1 ARG A 65 4.315 4.779 20.093 1.00 58.03 N ATOM 715 NH2 ARG A 65 5.964 6.221 20.752 1.00 56.67 N ATOM 716 HE ARG A 65 2.887 5.900 21.762 1.00 0.00 H ATOM 717 HH12 ARG A 65 4.979 4.352 19.415 1.00 0.00 H ATOM 718 HH11 ARG A 65 3.343 4.417 20.167 1.00 0.00 H ATOM 719 HH22 ARG A 65 6.609 5.778 20.067 1.00 0.00 H ATOM 720 HH21 ARG A 65 6.298 7.003 21.350 1.00 0.00 H ATOM 721 H ARG A 65 6.173 11.706 21.450 1.00 0.00 H ATOM 722 N LYS A 66 3.318 12.643 23.220 1.00 49.80 N ATOM 723 CA LYS A 66 2.363 13.496 23.960 1.00 52.59 C ATOM 724 C LYS A 66 1.694 14.561 23.083 1.00 51.51 C ATOM 725 O LYS A 66 0.494 14.786 23.193 1.00 52.23 O ATOM 726 CB LYS A 66 3.057 14.225 25.116 1.00 54.38 C ATOM 727 CG LYS A 66 3.503 13.353 26.274 1.00 56.67 C ATOM 728 CD LYS A 66 3.890 14.197 27.489 1.00 59.02 C ATOM 729 CE LYS A 66 5.150 15.028 27.250 1.00 58.60 C ATOM 730 NZ LYS A 66 5.403 16.027 28.330 1.00 61.03 N ATOM 731 HZ1 LYS A 66 4.598 16.683 28.390 1.00 0.00 H ATOM 732 HZ2 LYS A 66 5.517 15.533 29.238 1.00 0.00 H ATOM 733 HZ3 LYS A 66 6.270 16.559 28.112 1.00 0.00 H ATOM 734 H LYS A 66 4.311 12.621 23.528 1.00 0.00 H ATOM 735 N ARG A 67 2.484 15.220 22.240 1.00 48.53 N ATOM 736 CA ARG A 67 1.992 16.295 21.370 1.00 49.18 C ATOM 737 C ARG A 67 1.090 15.844 20.227 1.00 49.27 C ATOM 738 O ARG A 67 0.245 16.624 19.785 1.00 51.11 O ATOM 739 CB ARG A 67 3.153 17.128 20.812 1.00 47.63 C ATOM 740 CG ARG A 67 3.701 18.098 21.835 1.00 49.29 C ATOM 741 CD ARG A 67 5.080 18.604 21.472 1.00 48.16 C ATOM 742 NE ARG A 67 5.593 19.478 22.525 1.00 50.42 N ATOM 743 CZ ARG A 67 5.317 20.779 22.659 1.00 52.63 C ATOM 744 NH1 ARG A 67 4.519 21.419 21.799 1.00 53.02 N ATOM 745 NH2 ARG A 67 5.850 21.455 23.677 1.00 54.44 N ATOM 746 HE ARG A 67 6.227 19.051 23.230 1.00 0.00 H ATOM 747 HH12 ARG A 67 4.322 22.432 21.928 1.00 0.00 H ATOM 748 HH11 ARG A 67 4.095 20.904 21.001 1.00 0.00 H ATOM 749 HH22 ARG A 67 5.644 22.468 23.793 1.00 0.00 H ATOM 750 HH21 ARG A 67 6.472 20.970 24.355 1.00 0.00 H ATOM 751 H ARG A 67 3.491 14.963 22.195 1.00 0.00 H ATOM 752 N ILE A 68 1.252 14.612 19.748 1.00 47.99 N ATOM 753 CA ILE A 68 0.358 14.093 18.702 1.00 49.75 C ATOM 754 C ILE A 68 -0.754 13.180 19.236 1.00 52.53 C ATOM 755 O ILE A 68 -1.429 12.502 18.454 1.00 52.07 O ATOM 756 CB ILE A 68 1.137 13.454 17.528 1.00 48.11 C ATOM 757 CG1 ILE A 68 1.874 12.185 17.952 1.00 47.72 C ATOM 758 CG2 ILE A 68 2.105 14.474 16.946 1.00 46.22 C ATOM 759 CD1 ILE A 68 2.217 11.276 16.788 1.00 47.74 C ATOM 760 H ILE A 68 2.017 14.012 20.117 1.00 0.00 H ATOM 761 N GLN A 69 -0.938 13.172 20.559 1.00 55.36 N ATOM 762 CA GLN A 69 -2.089 12.548 21.206 1.00 59.61 C ATOM 763 C GLN A 69 -2.158 11.035 20.969 1.00 60.35 C ATOM 764 O GLN A 69 -3.233 10.490 20.733 1.00 61.17 O ATOM 765 CB GLN A 69 -3.394 13.231 20.747 1.00 62.55 C ATOM 766 CG GLN A 69 -3.378 14.756 20.824 1.00 64.01 C ATOM 767 CD GLN A 69 -4.388 15.407 19.888 1.00 65.78 C ATOM 768 OE1 GLN A 69 -5.575 15.084 19.911 1.00 67.82 O ATOM 769 NE2 GLN A 69 -3.913 16.334 19.058 1.00 65.85 N ATOM 770 HE22 GLN A 69 -2.902 16.576 19.073 1.00 0.00 H ATOM 771 HE21 GLN A 69 -4.553 16.816 18.395 1.00 0.00 H ATOM 772 H GLN A 69 -0.225 13.634 21.159 1.00 0.00 H ATOM 773 N LEU A 70 -1.013 10.356 21.040 1.00 60.27 N ATOM 774 CA LEU A 70 -0.966 8.914 20.769 1.00 61.91 C ATOM 775 C LEU A 70 -1.097 8.057 22.017 1.00 65.01 C ATOM 776 O LEU A 70 -0.624 8.429 23.086 1.00 66.87 O ATOM 777 CB LEU A 70 0.325 8.526 20.043 1.00 59.04 C ATOM 778 CG LEU A 70 0.384 8.746 18.531 1.00 58.08 C ATOM 779 CD1 LEU A 70 1.710 8.193 18.027 1.00 55.52 C ATOM 780 CD2 LEU A 70 -0.788 8.101 17.790 1.00 59.25 C ATOM 781 H LEU A 70 -0.137 10.857 21.292 1.00 0.00 H ATOM 782 N ARG A 71 -1.714 6.890 21.845 1.00 68.90 N ATOM 783 CA ARG A 71 -1.800 5.874 22.894 1.00 72.47 C ATOM 784 C ARG A 71 -0.514 5.038 22.928 1.00 72.78 C ATOM 785 O ARG A 71 0.357 5.199 22.065 1.00 71.30 O ATOM 786 CB ARG A 71 -3.010 4.965 22.644 1.00 75.27 C ATOM 787 CG ARG A 71 -4.340 5.696 22.740 1.00 77.53 C ATOM 788 CD ARG A 71 -5.535 4.777 22.531 1.00 80.70 C ATOM 789 NE ARG A 71 -5.660 3.755 23.575 1.00 83.19 N ATOM 790 CZ ARG A 71 -6.706 2.935 23.729 1.00 86.42 C ATOM 791 NH1 ARG A 71 -7.762 2.994 22.916 1.00 87.71 N ATOM 792 NH2 ARG A 71 -6.697 2.040 24.714 1.00 88.52 N ATOM 793 HE ARG A 71 -4.874 3.660 24.249 1.00 0.00 H ATOM 794 HH12 ARG A 71 -8.563 2.346 23.056 1.00 0.00 H ATOM 795 HH11 ARG A 71 -7.784 3.688 22.142 1.00 0.00 H ATOM 796 HH22 ARG A 71 -7.506 1.399 24.841 1.00 0.00 H ATOM 797 HH21 ARG A 71 -5.881 1.982 25.357 1.00 0.00 H ATOM 798 H ARG A 71 -2.154 6.692 20.924 1.00 0.00 H ATOM 799 N PRO A 72 -0.373 4.160 23.942 1.00 75.19 N ATOM 800 CA PRO A 72 0.639 3.089 23.889 1.00 74.75 C ATOM 801 C PRO A 72 0.426 2.089 22.739 1.00 74.23 C ATOM 802 O PRO A 72 1.398 1.518 22.235 1.00 74.63 O ATOM 803 CB PRO A 72 0.474 2.384 25.240 1.00 76.91 C ATOM 804 CG PRO A 72 -0.079 3.427 26.144 1.00 78.05 C ATOM 805 CD PRO A 72 -0.968 4.281 25.287 1.00 77.94 C ATOM 806 N GLU A 73 -0.831 1.896 22.336 1.00 73.86 N ATOM 807 CA GLU A 73 -1.190 0.963 21.263 1.00 73.01 C ATOM 808 C GLU A 73 -0.773 1.440 19.860 1.00 68.57 C ATOM 809 O GLU A 73 -0.416 0.618 19.014 1.00 67.41 O ATOM 810 CB GLU A 73 -2.699 0.675 21.292 1.00 76.55 C ATOM 811 CG GLU A 73 -3.188 0.038 22.592 1.00 80.13 C ATOM 812 CD GLU A 73 -4.684 -0.230 22.616 1.00 83.26 C ATOM 813 OE1 GLU A 73 -5.457 0.591 22.075 1.00 84.33 O ATOM 814 OE2 GLU A 73 -5.094 -1.264 23.192 1.00 85.93 O ATOM 815 H GLU A 73 -1.590 2.431 22.804 1.00 0.00 H ATOM 816 N ASP A 74 -0.820 2.752 19.617 1.00 65.30 N ATOM 817 CA ASP A 74 -0.449 3.328 18.312 1.00 60.36 C ATOM 818 C ASP A 74 1.065 3.411 18.115 1.00 54.88 C ATOM 819 O ASP A 74 1.802 3.754 19.042 1.00 53.56 O ATOM 820 CB ASP A 74 -1.045 4.729 18.147 1.00 61.60 C ATOM 821 CG ASP A 74 -2.558 4.714 18.012 1.00 65.26 C ATOM 822 OD1 ASP A 74 -3.214 3.866 18.658 1.00 67.84 O ATOM 823 OD2 ASP A 74 -3.089 5.563 17.258 1.00 66.32 O ATOM 824 H ASP A 74 -1.130 3.391 20.377 1.00 0.00 H ATOM 825 N ALA A 75 1.507 3.142 16.885 1.00 49.58 N ATOM 826 CA ALA A 75 2.924 3.095 16.541 1.00 44.74 C ATOM 827 C ALA A 75 3.420 4.471 16.129 1.00 40.52 C ATOM 828 O ALA A 75 2.693 5.224 15.488 1.00 39.28 O ATOM 829 CB ALA A 75 3.151 2.114 15.401 1.00 44.27 C ATOM 830 H ALA A 75 0.809 2.957 16.137 1.00 0.00 H ATOM 831 N LEU A 76 4.661 4.782 16.488 1.00 37.47 N ATOM 832 CA LEU A 76 5.318 6.010 16.057 1.00 35.02 C ATOM 833 C LEU A 76 6.775 5.707 15.723 1.00 33.20 C ATOM 834 O LEU A 76 7.476 5.077 16.524 1.00 33.68 O ATOM 835 CB LEU A 76 5.229 7.090 17.144 1.00 35.25 C ATOM 836 CG LEU A 76 5.941 8.427 16.905 1.00 33.94 C ATOM 837 CD1 LEU A 76 5.348 9.165 15.717 1.00 34.05 C ATOM 838 CD2 LEU A 76 5.925 9.294 18.154 1.00 35.14 C ATOM 839 H LEU A 76 5.184 4.124 17.100 1.00 0.00 H ATOM 840 N PHE A 77 7.205 6.145 14.541 1.00 30.42 N ATOM 841 CA PHE A 77 8.565 5.959 14.072 1.00 28.78 C ATOM 842 C PHE A 77 9.119 7.284 13.562 1.00 27.70 C ATOM 843 O PHE A 77 8.390 8.036 12.882 1.00 27.66 O ATOM 844 CB PHE A 77 8.591 4.948 12.930 1.00 29.40 C ATOM 845 CG PHE A 77 8.123 3.579 13.323 1.00 30.74 C ATOM 846 CD1 PHE A 77 8.968 2.713 14.009 1.00 30.87 C ATOM 847 CD2 PHE A 77 6.836 3.153 13.016 1.00 31.90 C ATOM 848 CE1 PHE A 77 8.548 1.441 14.367 1.00 32.40 C ATOM 849 CE2 PHE A 77 6.407 1.882 13.374 1.00 33.49 C ATOM 850 CZ PHE A 77 7.266 1.027 14.061 1.00 33.56 C ATOM 851 H PHE A 77 6.533 6.645 13.924 1.00 0.00 H ATOM 852 N PHE A 78 10.395 7.548 13.855 1.00 27.27 N ATOM 853 CA PHE A 78 11.112 8.714 13.319 1.00 27.07 C ATOM 854 C PHE A 78 12.075 8.318 12.201 1.00 27.14 C ATOM 855 O PHE A 78 12.654 7.240 12.228 1.00 27.29 O ATOM 856 CB PHE A 78 11.967 9.392 14.390 1.00 27.96 C ATOM 857 CG PHE A 78 11.192 10.104 15.457 1.00 29.89 C ATOM 858 CD1 PHE A 78 10.052 10.854 15.169 1.00 30.65 C ATOM 859 CD2 PHE A 78 11.653 10.085 16.759 1.00 31.43 C ATOM 860 CE1 PHE A 78 9.357 11.507 16.179 1.00 31.78 C ATOM 861 CE2 PHE A 78 10.969 10.737 17.763 1.00 32.08 C ATOM 862 CZ PHE A 78 9.820 11.451 17.473 1.00 32.48 C ATOM 863 H PHE A 78 10.904 6.900 14.490 1.00 0.00 H ATOM 864 N PHE A 79 12.263 9.217 11.238 1.00 26.28 N ATOM 865 CA PHE A 79 13.256 9.048 10.203 1.00 26.41 C ATOM 866 C PHE A 79 14.134 10.274 10.106 1.00 26.20 C ATOM 867 O PHE A 79 13.623 11.391 9.958 1.00 26.71 O ATOM 868 CB PHE A 79 12.596 8.769 8.859 1.00 27.46 C ATOM 869 CG PHE A 79 11.702 7.562 8.880 1.00 28.24 C ATOM 870 CD1 PHE A 79 10.396 7.666 9.347 1.00 28.77 C ATOM 871 CD2 PHE A 79 12.175 6.322 8.481 1.00 29.12 C ATOM 872 CE1 PHE A 79 9.565 6.559 9.382 1.00 29.77 C ATOM 873 CE2 PHE A 79 11.343 5.211 8.511 1.00 30.49 C ATOM 874 CZ PHE A 79 10.042 5.333 8.964 1.00 30.37 C ATOM 875 H PHE A 79 11.673 10.073 11.230 1.00 0.00 H ATOM 876 N VAL A 80 15.444 10.049 10.212 1.00 26.09 N ATOM 877 CA VAL A 80 16.481 11.074 10.069 1.00 27.30 C ATOM 878 C VAL A 80 17.428 10.602 8.982 1.00 27.42 C ATOM 879 O VAL A 80 17.871 9.456 9.038 1.00 27.80 O ATOM 880 CB VAL A 80 17.274 11.212 11.370 1.00 29.16 C ATOM 881 CG1 VAL A 80 18.393 12.258 11.228 1.00 30.34 C ATOM 882 CG2 VAL A 80 16.325 11.551 12.509 1.00 30.53 C ATOM 883 H VAL A 80 15.752 9.076 10.411 1.00 0.00 H ATOM 884 N ASN A 81 17.745 11.457 8.009 1.00 28.39 N ATOM 885 CA ASN A 81 18.490 11.025 6.795 1.00 29.67 C ATOM 886 C ASN A 81 17.833 9.773 6.168 1.00 29.52 C ATOM 887 O ASN A 81 18.519 8.870 5.668 1.00 30.06 O ATOM 888 CB ASN A 81 19.984 10.783 7.106 1.00 31.10 C ATOM 889 CG ASN A 81 20.854 10.612 5.855 1.00 33.57 C ATOM 890 OD1 ASN A 81 20.616 11.218 4.810 1.00 35.27 O ATOM 891 ND2 ASN A 81 21.863 9.771 5.960 1.00 35.68 N ATOM 892 HD22 ASN A 81 22.036 9.276 6.858 1.00 0.00 H ATOM 893 HD21 ASN A 81 22.487 9.603 5.145 1.00 0.00 H ATOM 894 H ASN A 81 17.464 12.454 8.101 1.00 0.00 H ATOM 895 N ASN A 82 16.498 9.752 6.205 1.00 28.48 N ATOM 896 CA ASN A 82 15.665 8.680 5.632 1.00 29.28 C ATOM 897 C ASN A 82 15.827 7.292 6.261 1.00 28.33 C ATOM 898 O ASN A 82 15.436 6.280 5.666 1.00 29.45 O ATOM 899 CB ASN A 82 15.855 8.628 4.102 1.00 31.66 C ATOM 900 CG ASN A 82 15.828 10.009 3.476 1.00 32.19 C ATOM 901 OD1 ASN A 82 16.807 10.455 2.871 1.00 35.91 O ATOM 902 ND2 ASN A 82 14.721 10.704 3.646 1.00 32.35 N ATOM 903 HD22 ASN A 82 13.920 10.288 4.163 1.00 0.00 H ATOM 904 HD21 ASN A 82 14.648 11.668 3.263 1.00 0.00 H ATOM 905 H ASN A 82 16.013 10.546 6.670 1.00 0.00 H ATOM 906 N VAL A 83 16.360 7.239 7.481 1.00 27.70 N ATOM 907 CA VAL A 83 16.531 5.980 8.213 1.00 27.49 C ATOM 908 C VAL A 83 16.082 6.157 9.659 1.00 26.86 C ATOM 909 O VAL A 83 15.996 7.273 10.154 1.00 25.64 O ATOM 910 CB VAL A 83 17.990 5.462 8.165 1.00 29.39 C ATOM 911 CG1 VAL A 83 18.437 5.230 6.714 1.00 30.29 C ATOM 912 CG2 VAL A 83 18.961 6.398 8.869 1.00 28.72 C ATOM 913 H VAL A 83 16.667 8.125 7.931 1.00 0.00 H ATOM 914 N ILE A 84 15.789 5.047 10.328 1.00 27.90 N ATOM 915 CA ILE A 84 15.329 5.093 11.703 1.00 27.37 C ATOM 916 C ILE A 84 16.551 5.241 12.626 1.00 28.21 C ATOM 917 O ILE A 84 17.436 4.408 12.591 1.00 29.35 O ATOM 918 CB ILE A 84 14.489 3.839 12.072 1.00 28.09 C ATOM 919 CG1 ILE A 84 13.226 3.760 11.192 1.00 28.15 C ATOM 920 CG2 ILE A 84 14.095 3.891 13.543 1.00 28.29 C ATOM 921 CD1 ILE A 84 12.349 2.547 11.439 1.00 29.94 C ATOM 922 H ILE A 84 15.892 4.126 9.856 1.00 0.00 H ATOM 923 N PRO A 85 16.602 6.312 13.443 1.00 28.74 N ATOM 924 CA PRO A 85 17.714 6.485 14.381 1.00 29.48 C ATOM 925 C PRO A 85 17.653 5.541 15.574 1.00 31.80 C ATOM 926 O PRO A 85 16.587 5.061 15.941 1.00 32.19 O ATOM 927 CB PRO A 85 17.553 7.924 14.860 1.00 28.68 C ATOM 928 CG PRO A 85 16.095 8.188 14.752 1.00 28.36 C ATOM 929 CD PRO A 85 15.567 7.347 13.622 1.00 28.16 C ATOM 930 N GLN A 86 18.806 5.306 16.183 1.00 34.18 N ATOM 931 CA GLN A 86 18.924 4.441 17.359 1.00 37.09 C ATOM 932 C GLN A 86 18.408 5.227 18.589 1.00 36.62 C ATOM 933 O GLN A 86 18.641 6.419 18.691 1.00 35.27 O ATOM 934 CB GLN A 86 20.402 4.028 17.496 1.00 39.47 C ATOM 935 CG GLN A 86 20.664 2.705 18.188 1.00 43.00 C ATOM 936 CD GLN A 86 20.607 2.801 19.701 1.00 45.14 C ATOM 937 OE1 GLN A 86 20.916 3.843 20.280 1.00 45.35 O ATOM 938 NE2 GLN A 86 20.213 1.711 20.352 1.00 46.40 N ATOM 939 HE22 GLN A 86 19.961 0.852 19.823 1.00 0.00 H ATOM 940 HE21 GLN A 86 20.157 1.717 21.390 1.00 0.00 H ATOM 941 H GLN A 86 19.666 5.756 15.809 1.00 0.00 H ATOM 942 N THR A 87 17.706 4.574 19.511 1.00 37.55 N ATOM 943 CA THR A 87 17.028 5.298 20.614 1.00 38.70 C ATOM 944 C THR A 87 17.977 6.045 21.564 1.00 37.77 C ATOM 945 O THR A 87 17.591 7.053 22.151 1.00 34.99 O ATOM 946 CB THR A 87 16.145 4.368 21.477 1.00 42.38 C ATOM 947 OG1 THR A 87 16.924 3.263 21.936 1.00 46.97 O ATOM 948 CG2 THR A 87 14.952 3.852 20.690 1.00 43.58 C ATOM 949 HG1 THR A 87 17.272 2.760 21.158 1.00 0.00 H ATOM 950 H THR A 87 17.631 3.538 19.458 1.00 0.00 H ATOM 951 N MET A 88 19.199 5.549 21.712 1.00 37.84 N ATOM 952 CA MET A 88 20.169 6.167 22.618 1.00 40.31 C ATOM 953 C MET A 88 20.944 7.303 22.004 1.00 36.75 C ATOM 954 O MET A 88 21.599 8.024 22.740 1.00 35.80 O ATOM 955 CB MET A 88 21.154 5.131 23.185 1.00 44.13 C ATOM 956 CG MET A 88 20.508 4.070 24.056 1.00 48.13 C ATOM 957 SD MET A 88 19.367 4.742 25.282 1.00 53.58 S ATOM 958 CE MET A 88 20.395 5.947 26.128 1.00 53.57 C ATOM 959 H MET A 88 19.474 4.703 21.173 1.00 0.00 H ATOM 960 N THR A 89 20.857 7.483 20.685 1.00 34.23 N ATOM 961 CA THR A 89 21.561 8.554 20.000 1.00 33.22 C ATOM 962 C THR A 89 21.009 9.900 20.464 1.00 32.00 C ATOM 963 O THR A 89 19.803 10.051 20.622 1.00 32.29 O ATOM 964 CB THR A 89 21.408 8.417 18.464 1.00 33.27 C ATOM 965 OG1 THR A 89 21.905 7.134 18.064 1.00 34.25 O ATOM 966 CG2 THR A 89 22.181 9.496 17.719 1.00 32.54 C ATOM 967 HG1 THR A 89 21.812 7.036 17.083 1.00 0.00 H ATOM 968 H THR A 89 20.265 6.835 20.128 1.00 0.00 H ATOM 969 N THR A 90 21.891 10.869 20.687 1.00 32.12 N ATOM 970 CA THR A 90 21.451 12.210 21.087 1.00 31.55 C ATOM 971 C THR A 90 21.088 13.065 19.883 1.00 30.43 C ATOM 972 O THR A 90 21.581 12.850 18.779 1.00 28.83 O ATOM 973 CB THR A 90 22.525 12.954 21.913 1.00 32.50 C ATOM 974 OG1 THR A 90 23.622 13.315 21.073 1.00 31.47 O ATOM 975 CG2 THR A 90 23.012 12.115 23.084 1.00 34.44 C ATOM 976 HG1 THR A 90 24.019 12.497 20.681 1.00 0.00 H ATOM 977 H THR A 90 22.907 10.674 20.576 1.00 0.00 H ATOM 978 N MET A 91 20.265 14.080 20.130 1.00 29.96 N ATOM 979 CA MET A 91 19.881 15.029 19.120 1.00 30.66 C ATOM 980 C MET A 91 21.102 15.775 18.592 1.00 29.44 C ATOM 981 O MET A 91 21.148 16.115 17.403 1.00 27.87 O ATOM 982 CB MET A 91 18.851 16.019 19.670 1.00 33.11 C ATOM 983 CG MET A 91 17.559 15.376 20.163 1.00 34.91 C ATOM 984 SD MET A 91 16.769 14.290 18.962 1.00 41.32 S ATOM 985 CE MET A 91 16.294 15.576 17.834 1.00 37.69 C ATOM 986 H MET A 91 19.884 14.192 21.091 1.00 0.00 H ATOM 987 N GLY A 92 22.066 16.041 19.475 1.00 28.10 N ATOM 988 CA GLY A 92 23.352 16.645 19.095 1.00 29.41 C ATOM 989 C GLY A 92 24.159 15.801 18.117 1.00 28.77 C ATOM 990 O GLY A 92 24.731 16.321 17.149 1.00 28.36 O ATOM 991 H GLY A 92 21.901 15.811 20.476 1.00 0.00 H ATOM 992 N GLN A 93 24.206 14.501 18.375 1.00 29.57 N ATOM 993 CA GLN A 93 24.917 13.557 17.509 1.00 30.64 C ATOM 994 C GLN A 93 24.241 13.481 16.143 1.00 29.11 C ATOM 995 O GLN A 93 24.926 13.476 15.103 1.00 28.54 O ATOM 996 CB GLN A 93 24.978 12.165 18.152 1.00 32.94 C ATOM 997 CG GLN A 93 25.951 12.099 19.312 1.00 37.03 C ATOM 998 CD GLN A 93 25.874 10.815 20.130 1.00 39.76 C ATOM 999 OE1 GLN A 93 24.811 10.206 20.305 1.00 40.13 O ATOM 1000 NE2 GLN A 93 27.014 10.415 20.661 1.00 43.25 N ATOM 1001 HE22 GLN A 93 27.886 10.956 20.489 1.00 0.00 H ATOM 1002 HE21 GLN A 93 27.041 9.559 21.251 1.00 0.00 H ATOM 1003 H GLN A 93 23.722 14.139 19.221 1.00 0.00 H ATOM 1004 N LEU A 94 22.910 13.414 16.139 1.00 27.37 N ATOM 1005 CA LEU A 94 22.159 13.414 14.869 1.00 27.16 C ATOM 1006 C LEU A 94 22.376 14.703 14.089 1.00 27.29 C ATOM 1007 O LEU A 94 22.551 14.680 12.883 1.00 27.96 O ATOM 1008 CB LEU A 94 20.662 13.232 15.103 1.00 27.38 C ATOM 1009 CG LEU A 94 20.175 11.880 15.594 1.00 27.55 C ATOM 1010 CD1 LEU A 94 18.680 11.947 15.866 1.00 27.59 C ATOM 1011 CD2 LEU A 94 20.499 10.791 14.588 1.00 27.97 C ATOM 1012 H LEU A 94 22.395 13.361 17.041 1.00 0.00 H ATOM 1013 N TYR A 95 22.377 15.829 14.790 1.00 26.61 N ATOM 1014 CA TYR A 95 22.653 17.117 14.160 1.00 26.76 C ATOM 1015 C TYR A 95 24.060 17.179 13.531 1.00 27.58 C ATOM 1016 O TYR A 95 24.225 17.588 12.389 1.00 27.17 O ATOM 1017 CB TYR A 95 22.491 18.248 15.191 1.00 27.10 C ATOM 1018 CG TYR A 95 22.644 19.608 14.545 1.00 28.20 C ATOM 1019 CD1 TYR A 95 21.580 20.183 13.865 1.00 27.45 C ATOM 1020 CD2 TYR A 95 23.863 20.291 14.562 1.00 29.06 C ATOM 1021 CE1 TYR A 95 21.712 21.414 13.236 1.00 27.90 C ATOM 1022 CE2 TYR A 95 24.006 21.541 13.942 1.00 29.00 C ATOM 1023 CZ TYR A 95 22.919 22.092 13.269 1.00 29.17 C ATOM 1024 OH TYR A 95 23.015 23.327 12.637 1.00 29.46 O ATOM 1025 HH TYR A 95 22.147 23.550 12.217 1.00 0.00 H ATOM 1026 H TYR A 95 22.177 15.794 15.810 1.00 0.00 H ATOM 1027 N GLN A 96 25.060 16.764 14.292 1.00 27.66 N ATOM 1028 CA GLN A 96 26.453 16.729 13.838 1.00 30.28 C ATOM 1029 C GLN A 96 26.578 15.929 12.544 1.00 30.24 C ATOM 1030 O GLN A 96 27.261 16.344 11.602 1.00 30.20 O ATOM 1031 CB GLN A 96 27.321 16.106 14.931 1.00 31.25 C ATOM 1032 CG GLN A 96 28.788 15.897 14.581 1.00 33.57 C ATOM 1033 CD GLN A 96 29.496 15.101 15.656 1.00 34.97 C ATOM 1034 OE1 GLN A 96 29.574 13.866 15.587 1.00 37.80 O ATOM 1035 NE2 GLN A 96 29.989 15.785 16.658 1.00 35.06 N ATOM 1036 HE22 GLN A 96 29.900 16.821 16.674 1.00 0.00 H ATOM 1037 HE21 GLN A 96 30.469 15.292 17.438 1.00 0.00 H ATOM 1038 H GLN A 96 24.847 16.447 15.259 1.00 0.00 H ATOM 1039 N ASP A 97 25.903 14.786 12.496 1.00 29.40 N ATOM 1040 CA ASP A 97 26.045 13.894 11.363 1.00 29.09 C ATOM 1041 C ASP A 97 25.117 14.198 10.203 1.00 28.35 C ATOM 1042 O ASP A 97 25.433 13.826 9.059 1.00 29.08 O ATOM 1043 CB ASP A 97 25.824 12.448 11.784 1.00 29.92 C ATOM 1044 CG ASP A 97 26.898 11.927 12.714 1.00 31.55 C ATOM 1045 OD1 ASP A 97 28.034 12.487 12.835 1.00 32.49 O ATOM 1046 OD2 ASP A 97 26.596 10.897 13.338 1.00 31.13 O ATOM 1047 H ASP A 97 25.267 14.529 13.278 1.00 0.00 H ATOM 1048 N HIS A 98 23.962 14.809 10.475 1.00 26.92 N ATOM 1049 CA HIS A 98 22.885 14.845 9.495 1.00 27.43 C ATOM 1050 C HIS A 98 22.189 16.170 9.274 1.00 27.00 C ATOM 1051 O HIS A 98 21.214 16.198 8.535 1.00 27.68 O ATOM 1052 CB HIS A 98 21.853 13.753 9.818 1.00 27.53 C ATOM 1053 CG HIS A 98 22.439 12.392 9.781 1.00 29.00 C ATOM 1054 ND1 HIS A 98 23.036 11.889 8.648 1.00 31.03 N ATOM 1055 CD2 HIS A 98 22.555 11.434 10.726 1.00 30.30 C ATOM 1056 CE1 HIS A 98 23.514 10.688 8.904 1.00 31.76 C ATOM 1057 NE2 HIS A 98 23.242 10.396 10.157 1.00 30.57 N ATOM 1058 H HIS A 98 23.829 15.266 11.400 1.00 0.00 H ATOM 1059 N HIS A 99 22.699 17.268 9.846 1.00 26.75 N ATOM 1060 CA HIS A 99 22.139 18.569 9.552 1.00 27.31 C ATOM 1061 C HIS A 99 22.276 18.842 8.059 1.00 28.92 C ATOM 1062 O HIS A 99 23.264 18.461 7.427 1.00 27.38 O ATOM 1063 CB HIS A 99 22.736 19.709 10.399 1.00 28.15 C ATOM 1064 CG HIS A 99 24.123 20.127 10.012 1.00 29.12 C ATOM 1065 ND1 HIS A 99 24.378 21.034 9.001 1.00 31.27 N ATOM 1066 CD2 HIS A 99 25.329 19.820 10.548 1.00 30.64 C ATOM 1067 CE1 HIS A 99 25.679 21.229 8.904 1.00 32.13 C ATOM 1068 NE2 HIS A 99 26.276 20.499 9.830 1.00 31.65 N ATOM 1069 H HIS A 99 23.500 17.185 10.504 1.00 0.00 H ATOM 1070 N GLU A 100 21.274 19.516 7.530 1.00 30.04 N ATOM 1071 CA GLU A 100 21.307 20.007 6.158 1.00 33.75 C ATOM 1072 C GLU A 100 22.154 21.253 6.025 1.00 33.99 C ATOM 1073 O GLU A 100 22.538 21.858 7.024 1.00 32.89 O ATOM 1074 CB GLU A 100 19.886 20.285 5.715 1.00 36.75 C ATOM 1075 CG GLU A 100 19.068 19.015 5.649 1.00 39.32 C ATOM 1076 CD GLU A 100 18.958 18.496 4.253 1.00 44.03 C ATOM 1077 OE1 GLU A 100 18.178 19.103 3.482 1.00 48.05 O ATOM 1078 OE2 GLU A 100 19.653 17.505 3.935 1.00 47.98 O ATOM 1079 H GLU A 100 20.432 19.704 8.111 1.00 0.00 H ATOM 1080 N GLU A 101 22.418 21.661 4.780 1.00 34.61 N ATOM 1081 CA GLU A 101 23.181 22.871 4.515 1.00 36.19 C ATOM 1082 C GLU A 101 22.499 24.158 5.002 1.00 34.68 C ATOM 1083 O GLU A 101 23.163 25.170 5.147 1.00 35.30 O ATOM 1084 CB GLU A 101 23.556 22.969 3.023 1.00 40.68 C ATOM 1085 CG GLU A 101 24.568 21.905 2.608 1.00 44.38 C ATOM 1086 CD GLU A 101 25.192 22.138 1.239 1.00 49.86 C ATOM 1087 OE1 GLU A 101 24.592 22.846 0.397 1.00 52.84 O ATOM 1088 OE2 GLU A 101 26.304 21.604 1.004 1.00 54.37 O ATOM 1089 H GLU A 101 22.068 21.098 3.979 1.00 0.00 H ATOM 1090 N ASP A 102 21.187 24.126 5.253 1.00 32.55 N ATOM 1091 CA ASP A 102 20.511 25.285 5.867 1.00 32.52 C ATOM 1092 C ASP A 102 20.701 25.362 7.393 1.00 31.95 C ATOM 1093 O ASP A 102 20.162 26.265 8.019 1.00 32.39 O ATOM 1094 CB ASP A 102 19.017 25.351 5.487 1.00 31.88 C ATOM 1095 CG ASP A 102 18.199 24.162 5.984 1.00 30.56 C ATOM 1096 OD1 ASP A 102 18.743 23.280 6.699 1.00 28.92 O ATOM 1097 OD2 ASP A 102 16.981 24.127 5.658 1.00 29.87 O ATOM 1098 H ASP A 102 20.637 23.276 5.013 1.00 0.00 H ATOM 1099 N LEU A 103 21.460 24.415 7.961 1.00 31.24 N ATOM 1100 CA LEU A 103 21.717 24.292 9.403 1.00 30.86 C ATOM 1101 C LEU A 103 20.546 23.774 10.258 1.00 29.91 C ATOM 1102 O LEU A 103 20.617 23.848 11.492 1.00 29.72 O ATOM 1103 CB LEU A 103 22.312 25.588 9.990 1.00 32.43 C ATOM 1104 CG LEU A 103 23.499 26.159 9.204 1.00 34.00 C ATOM 1105 CD1 LEU A 103 24.088 27.382 9.890 1.00 35.88 C ATOM 1106 CD2 LEU A 103 24.562 25.087 8.996 1.00 34.31 C ATOM 1107 H LEU A 103 21.901 23.713 7.333 1.00 0.00 H ATOM 1108 N PHE A 104 19.519 23.193 9.628 1.00 29.19 N ATOM 1109 CA PHE A 104 18.453 22.494 10.352 1.00 28.31 C ATOM 1110 C PHE A 104 18.654 20.982 10.305 1.00 27.34 C ATOM 1111 O PHE A 104 19.254 20.455 9.359 1.00 27.59 O ATOM 1112 CB PHE A 104 17.082 22.816 9.763 1.00 29.14 C ATOM 1113 CG PHE A 104 16.637 24.206 10.040 1.00 30.66 C ATOM 1114 CD1 PHE A 104 16.030 24.507 11.233 1.00 31.42 C ATOM 1115 CD2 PHE A 104 16.869 25.231 9.123 1.00 32.05 C ATOM 1116 CE1 PHE A 104 15.638 25.816 11.511 1.00 33.43 C ATOM 1117 CE2 PHE A 104 16.483 26.526 9.390 1.00 33.44 C ATOM 1118 CZ PHE A 104 15.867 26.821 10.589 1.00 33.60 C ATOM 1119 H PHE A 104 19.475 23.239 8.590 1.00 0.00 H ATOM 1120 N LEU A 105 18.139 20.315 11.333 1.00 26.66 N ATOM 1121 CA LEU A 105 17.923 18.862 11.327 1.00 26.45 C ATOM 1122 C LEU A 105 16.462 18.584 11.025 1.00 26.21 C ATOM 1123 O LEU A 105 15.556 19.063 11.738 1.00 27.74 O ATOM 1124 CB LEU A 105 18.297 18.259 12.690 1.00 25.77 C ATOM 1125 CG LEU A 105 18.120 16.745 12.850 1.00 26.63 C ATOM 1126 CD1 LEU A 105 19.054 15.972 11.938 1.00 27.75 C ATOM 1127 CD2 LEU A 105 18.314 16.372 14.311 1.00 27.08 C ATOM 1128 H LEU A 105 17.875 20.849 12.185 1.00 0.00 H ATOM 1129 N TYR A 106 16.222 17.780 9.988 1.00 25.22 N ATOM 1130 CA TYR A 106 14.885 17.430 9.544 1.00 25.81 C ATOM 1131 C TYR A 106 14.522 16.043 10.055 1.00 26.26 C ATOM 1132 O TYR A 106 15.284 15.100 9.871 1.00 26.22 O ATOM 1133 CB TYR A 106 14.832 17.431 8.008 1.00 26.28 C ATOM 1134 CG TYR A 106 14.862 18.827 7.452 1.00 27.43 C ATOM 1135 CD1 TYR A 106 16.060 19.551 7.381 1.00 27.72 C ATOM 1136 CD2 TYR A 106 13.694 19.469 7.067 1.00 27.91 C ATOM 1137 CE1 TYR A 106 16.084 20.857 6.895 1.00 28.34 C ATOM 1138 CE2 TYR A 106 13.717 20.772 6.585 1.00 29.34 C ATOM 1139 CZ TYR A 106 14.914 21.462 6.507 1.00 28.72 C ATOM 1140 OH TYR A 106 14.930 22.766 6.035 1.00 30.23 O ATOM 1141 HH TYR A 106 15.859 23.108 6.045 1.00 0.00 H ATOM 1142 H TYR A 106 17.033 17.384 9.472 1.00 0.00 H ATOM 1143 N ILE A 107 13.384 15.936 10.721 1.00 25.69 N ATOM 1144 CA ILE A 107 12.913 14.658 11.266 1.00 26.81 C ATOM 1145 C ILE A 107 11.499 14.405 10.790 1.00 27.10 C ATOM 1146 O ILE A 107 10.620 15.251 10.981 1.00 27.92 O ATOM 1147 CB ILE A 107 12.956 14.655 12.806 1.00 27.67 C ATOM 1148 CG1 ILE A 107 14.383 14.970 13.276 1.00 29.07 C ATOM 1149 CG2 ILE A 107 12.418 13.324 13.358 1.00 28.97 C ATOM 1150 CD1 ILE A 107 14.559 15.027 14.770 1.00 30.80 C ATOM 1151 H ILE A 107 12.803 16.787 10.863 1.00 0.00 H ATOM 1152 N ALA A 108 11.283 13.250 10.149 1.00 27.34 N ATOM 1153 CA ALA A 108 9.958 12.836 9.685 1.00 28.05 C ATOM 1154 C ALA A 108 9.413 11.832 10.670 1.00 28.10 C ATOM 1155 O ALA A 108 10.178 11.036 11.209 1.00 27.46 O ATOM 1156 CB ALA A 108 10.040 12.190 8.322 1.00 29.00 C ATOM 1157 H ALA A 108 12.091 12.620 9.973 1.00 0.00 H ATOM 1158 N TYR A 109 8.101 11.847 10.868 1.00 28.00 N ATOM 1159 CA TYR A 109 7.435 10.837 11.706 1.00 28.54 C ATOM 1160 C TYR A 109 6.270 10.181 10.986 1.00 29.38 C ATOM 1161 O TYR A 109 5.610 10.774 10.126 1.00 29.19 O ATOM 1162 CB TYR A 109 7.023 11.413 13.080 1.00 29.98 C ATOM 1163 CG TYR A 109 5.857 12.381 13.082 1.00 30.89 C ATOM 1164 CD1 TYR A 109 6.071 13.746 12.943 1.00 30.98 C ATOM 1165 CD2 TYR A 109 4.551 11.932 13.258 1.00 32.28 C ATOM 1166 CE1 TYR A 109 5.016 14.638 12.946 1.00 32.50 C ATOM 1167 CE2 TYR A 109 3.476 12.818 13.275 1.00 33.81 C ATOM 1168 CZ TYR A 109 3.724 14.173 13.118 1.00 33.29 C ATOM 1169 OH TYR A 109 2.697 15.070 13.121 1.00 36.55 O ATOM 1170 HH TYR A 109 2.217 15.017 13.985 1.00 0.00 H ATOM 1171 H TYR A 109 7.529 12.591 10.420 1.00 0.00 H ATOM 1172 N SER A 110 6.025 8.930 11.346 1.00 29.59 N ATOM 1173 CA SER A 110 4.962 8.156 10.739 1.00 30.42 C ATOM 1174 C SER A 110 4.552 7.035 11.663 1.00 31.13 C ATOM 1175 O SER A 110 5.267 6.722 12.613 1.00 30.69 O ATOM 1176 CB SER A 110 5.420 7.578 9.408 1.00 30.48 C ATOM 1177 OG SER A 110 4.368 6.852 8.798 1.00 32.48 O ATOM 1178 HG SER A 110 4.681 6.483 7.934 1.00 0.00 H ATOM 1179 H SER A 110 6.612 8.492 12.084 1.00 0.00 H ATOM 1180 N ASP A 111 3.401 6.452 11.356 1.00 32.15 N ATOM 1181 CA ASP A 111 2.909 5.234 12.012 1.00 34.73 C ATOM 1182 C ASP A 111 3.436 3.972 11.327 1.00 34.86 C ATOM 1183 O ASP A 111 3.268 2.874 11.851 1.00 34.88 O ATOM 1184 CB ASP A 111 1.374 5.187 12.080 1.00 36.72 C ATOM 1185 CG ASP A 111 0.699 5.280 10.706 1.00 38.19 C ATOM 1186 OD1 ASP A 111 1.150 6.063 9.836 1.00 37.64 O ATOM 1187 OD2 ASP A 111 -0.305 4.582 10.508 1.00 42.07 O ATOM 1188 H ASP A 111 2.816 6.880 10.611 1.00 0.00 H ATOM 1189 N GLU A 112 4.072 4.128 10.169 1.00 35.58 N ATOM 1190 CA GLU A 112 4.677 3.003 9.443 1.00 37.32 C ATOM 1191 C GLU A 112 6.198 3.073 9.476 1.00 34.84 C ATOM 1192 O GLU A 112 6.775 4.162 9.498 1.00 32.05 O ATOM 1193 CB GLU A 112 4.161 2.989 8.007 1.00 41.17 C ATOM 1194 CG GLU A 112 2.716 2.505 7.917 1.00 45.23 C ATOM 1195 CD GLU A 112 2.232 2.374 6.487 1.00 49.70 C ATOM 1196 OE1 GLU A 112 2.136 1.229 5.983 1.00 53.53 O ATOM 1197 OE2 GLU A 112 1.958 3.424 5.862 1.00 51.91 O ATOM 1198 H GLU A 112 4.144 5.082 9.762 1.00 0.00 H ATOM 1199 N SER A 113 6.840 1.897 9.483 1.00 34.79 N ATOM 1200 CA SER A 113 8.298 1.825 9.637 1.00 33.92 C ATOM 1201 C SER A 113 9.075 1.550 8.349 1.00 34.55 C ATOM 1202 O SER A 113 10.303 1.724 8.332 1.00 34.89 O ATOM 1203 CB SER A 113 8.640 0.746 10.653 1.00 33.72 C ATOM 1204 OG SER A 113 8.115 -0.496 10.252 1.00 34.38 O ATOM 1205 HG SER A 113 8.348 -1.184 10.925 1.00 0.00 H ATOM 1206 H SER A 113 6.295 1.018 9.377 1.00 0.00 H ATOM 1207 N VAL A 114 8.377 1.128 7.295 1.00 36.31 N ATOM 1208 CA VAL A 114 8.996 0.627 6.076 1.00 38.25 C ATOM 1209 C VAL A 114 8.258 1.198 4.867 1.00 39.28 C ATOM 1210 O VAL A 114 7.036 1.080 4.770 1.00 40.26 O ATOM 1211 CB VAL A 114 8.957 -0.921 6.041 1.00 40.30 C ATOM 1212 CG1 VAL A 114 9.303 -1.470 4.654 1.00 42.30 C ATOM 1213 CG2 VAL A 114 9.876 -1.490 7.112 1.00 40.41 C ATOM 1214 H VAL A 114 7.339 1.158 7.346 1.00 0.00 H ATOM 1215 N TYR A 115 9.022 1.798 3.957 1.00 39.55 N ATOM 1216 CA TYR A 115 8.505 2.469 2.764 1.00 40.21 C ATOM 1217 C TYR A 115 9.257 2.016 1.508 1.00 41.78 C ATOM 1218 O TYR A 115 10.445 1.656 1.575 1.00 41.57 O ATOM 1219 CB TYR A 115 8.650 3.976 2.916 1.00 39.08 C ATOM 1220 CG TYR A 115 7.631 4.584 3.841 1.00 39.57 C ATOM 1221 CD1 TYR A 115 6.396 5.017 3.349 1.00 40.86 C ATOM 1222 CD2 TYR A 115 7.892 4.728 5.212 1.00 38.69 C ATOM 1223 CE1 TYR A 115 5.450 5.577 4.187 1.00 41.14 C ATOM 1224 CE2 TYR A 115 6.944 5.280 6.062 1.00 38.74 C ATOM 1225 CZ TYR A 115 5.724 5.701 5.542 1.00 40.30 C ATOM 1226 OH TYR A 115 4.775 6.270 6.351 1.00 40.49 O ATOM 1227 HH TYR A 115 4.517 5.627 7.058 1.00 0.00 H ATOM 1228 H TYR A 115 10.052 1.789 4.103 1.00 0.00 H ATOM 1229 N GLY A 116 8.553 2.035 0.379 1.00 42.68 N ATOM 1230 CA GLY A 116 9.129 1.690 -0.923 1.00 43.71 C ATOM 1231 C GLY A 116 10.002 2.825 -1.434 1.00 42.51 C ATOM 1232 O GLY A 116 10.950 2.634 -2.206 1.00 42.60 O ATOM 1233 OXT GLY A 116 9.768 3.977 -1.091 1.00 40.06 O ATOM 1234 H GLY A 116 7.550 2.307 0.423 1.00 0.00 H TER 1235 GLY A 116 HETATM 1236 O HOH 9 -1.269 26.930 17.337 1.00 34.69 O HETATM 1237 O HOH 10 -5.608 15.860 14.278 1.00 32.94 O HETATM 1238 O HOH 11 25.827 20.803 23.682 1.00 39.77 O HETATM 1239 O HOH 12 3.629 17.529 9.066 1.00 42.55 O HETATM 1240 O HOH 13 13.615 25.194 -0.788 1.00 33.94 O HETATM 1241 O HOH 14 -3.963 16.398 12.273 1.00 48.51 O HETATM 1242 O HOH 15 -0.215 4.358 7.789 1.00 45.38 O HETATM 1243 O HOH 16 12.537 9.696 4.938 1.00 35.78 O HETATM 1244 O HOH 17 20.966 6.761 15.358 1.00 36.11 O HETATM 1245 O HOH 18 24.106 9.758 13.620 1.00 34.90 O HETATM 1246 O HOH 19 28.688 18.701 11.391 1.00 36.90 O HETATM 1247 O HOH 20 12.512 11.766 -1.637 1.00 43.52 O HETATM 1248 O HOH 21 22.138 7.689 7.767 1.00 50.50 O HETATM 1249 O HOH 22 6.846 7.584 0.744 1.00 37.99 O HETATM 1250 O HOH 23 14.506 11.622 6.976 1.00 36.11 O HETATM 1251 O HOH 24 21.656 20.050 2.565 1.00 56.65 O HETATM 1252 O HOH 25 7.227 5.073 -0.433 1.00 37.66 O HETATM 1253 O HOH 26 11.632 31.772 -0.126 1.00 35.01 O HETATM 1254 O HOH 27 11.636 2.555 4.791 1.00 31.78 O HETATM 1255 O HOH 28 23.371 13.296 6.180 1.00 42.53 O HETATM 1256 O HOH 29 5.873 21.315 -5.321 1.00 39.57 O HETATM 1257 O HOH 30 18.392 16.768 8.324 1.00 28.94 O HETATM 1258 O HOH 31 21.893 27.499 23.820 1.00 40.43 O HETATM 1259 O HOH 32 21.483 32.676 2.951 1.00 50.99 O HETATM 1260 O HOH 33 16.991 1.838 18.778 1.00 42.26 O HETATM 1261 O HOH 34 20.064 26.484 17.407 1.00 30.71 O HETATM 1262 O HOH 35 27.262 11.611 8.379 1.00 52.66 O HETATM 1263 O HOH 36 28.069 11.397 16.184 1.00 47.15 O HETATM 1264 O HOH 37 16.663 34.647 24.260 1.00 48.59 O HETATM 1265 O HOH 38 12.333 30.730 8.403 1.00 54.81 O HETATM 1266 O HOH 39 12.215 12.219 1.165 1.00 52.19 O HETATM 1267 O HOH 40 25.829 14.954 6.279 1.00 53.81 O HETATM 1268 O HOH 41 26.118 17.386 8.024 1.00 54.43 O HETATM 1269 O HOH 42 17.639 29.891 -2.650 1.00 40.93 O HETATM 1270 O HOH 43 29.295 20.527 8.891 1.00 38.19 O HETATM 1271 O HOH 44 25.797 8.638 11.002 1.00 46.62 O HETATM 1272 O HOH 45 19.393 27.778 25.478 1.00 47.70 O HETATM 1273 O HOH 46 23.669 6.781 10.131 1.00 73.79 O HETATM 1274 O HOH 47 21.257 8.078 12.483 1.00 48.36 O HETATM 1275 O HOH 48 -5.693 13.136 15.374 1.00 47.94 O HETATM 1276 O HOH 49 24.568 6.963 13.195 1.00 39.50 O HETATM 1277 O HOH 50 7.181 26.016 17.082 1.00 45.24 O HETATM 1278 O HOH 51 14.702 22.402 28.324 1.00 38.95 O HETATM 1279 O HOH 52 8.776 27.486 23.569 1.00 38.80 O HETATM 1280 O HOH 53 12.498 33.440 16.754 1.00 42.86 O HETATM 1281 O HOH 54 11.924 36.156 16.395 1.00 63.34 O HETATM 1282 N ASP A 55 7.519 30.915 15.231 1.00 0.24 N HETATM 1283 CA ASP A 55 8.566 30.959 16.288 1.00 0.08 C HETATM 1284 C ASP A 55 8.865 29.536 16.767 1.00 0.23 C HETATM 1285 O ASP A 55 8.006 28.662 16.693 1.00 -0.39 O HETATM 1286 N ASP A 55 10.076 29.323 17.273 1.00 -0.26 N HETATM 1287 CA ASP A 55 10.516 27.999 17.730 1.00 0.14 C HETATM 1288 C ASP A 55 9.915 27.624 19.080 1.00 0.21 C HETATM 1289 O ASP A 55 9.752 28.473 19.959 1.00 -0.39 O HETATM 1290 N ASP A 55 9.610 26.340 19.237 1.00 -0.26 N HETATM 1291 CA ASP A 55 9.148 25.789 20.503 1.00 0.16 C HETATM 1292 C ASP A 55 10.337 25.168 21.230 1.00 0.21 C HETATM 1293 O ASP A 55 11.044 24.336 20.666 1.00 -0.39 O HETATM 1294 N ASP A 55 10.547 25.573 22.481 1.00 -0.26 N HETATM 1295 CA ASP A 55 11.627 25.034 23.311 1.00 0.14 C HETATM 1296 C ASP A 55 11.144 23.758 23.988 1.00 0.21 C HETATM 1297 O ASP A 55 10.088 23.764 24.628 1.00 -0.39 O HETATM 1298 N ASP A 55 11.906 22.672 23.842 1.00 -0.27 N HETATM 1299 CA ASP A 55 11.631 21.413 24.547 1.00 0.09 C HETATM 1300 C ASP A 55 12.638 21.198 25.681 1.00 0.06 C HETATM 1301 O ASP A 55 12.555 20.232 26.444 1.00 -0.57 O HETATM 1302 OXT ASP A 55 13.563 21.989 25.874 1.00 -0.57 O HETATM 1303 CB ASP A 55 11.656 20.232 23.568 1.00 -0.02 C HETATM 1304 CG ASP A 55 10.563 20.213 22.491 1.00 -0.04 C HETATM 1305 CD1 ASP A 55 10.766 19.050 21.534 1.00 -0.06 C HETATM 1306 H37 ASP A 55 9.972 19.058 20.773 1.00 0.02 H HETATM 1307 H38 ASP A 55 10.728 18.104 22.093 1.00 0.02 H HETATM 1308 H39 ASP A 55 11.745 19.146 21.043 1.00 0.02 H HETATM 1309 CD2 ASP A 55 9.169 20.142 23.099 1.00 -0.06 C HETATM 1310 H40 ASP A 55 9.027 20.986 23.791 1.00 0.02 H HETATM 1311 H41 ASP A 55 9.056 19.195 23.648 1.00 0.02 H HETATM 1312 H42 ASP A 55 8.417 20.194 22.298 1.00 0.02 H HETATM 1313 H36 ASP A 55 10.638 21.149 21.918 1.00 0.03 H HETATM 1314 H34 ASP A 55 11.561 19.308 24.157 1.00 0.03 H HETATM 1315 H35 ASP A 55 12.630 20.243 23.056 1.00 0.03 H HETATM 1316 H33 ASP A 55 10.625 21.476 24.987 1.00 0.07 H HETATM 1317 H32 ASP A 55 12.695 22.717 23.229 1.00 0.19 H HETATM 1318 CB ASP A 55 12.057 26.049 24.381 1.00 0.02 C HETATM 1319 CG ASP A 55 12.834 27.216 23.840 1.00 -0.04 C HETATM 1320 CD1 ASP A 55 12.198 28.220 23.112 1.00 -0.06 C HETATM 1321 CE1 ASP A 55 12.914 29.301 22.617 1.00 -0.07 C HETATM 1322 CZ ASP A 55 14.275 29.393 22.846 1.00 -0.07 C HETATM 1323 CE2 ASP A 55 14.925 28.407 23.572 1.00 -0.07 C HETATM 1324 CD2 ASP A 55 14.204 27.325 24.067 1.00 -0.06 C HETATM 1325 H28 ASP A 55 14.715 26.557 24.637 1.00 0.06 H HETATM 1326 H30 ASP A 55 15.991 28.479 23.753 1.00 0.06 H HETATM 1327 H31 ASP A 55 14.834 30.237 22.457 1.00 0.06 H HETATM 1328 H29 ASP A 55 12.406 30.073 22.051 1.00 0.06 H HETATM 1329 H27 ASP A 55 11.131 28.156 22.930 1.00 0.06 H HETATM 1330 H25 ASP A 55 12.684 25.528 25.119 1.00 0.05 H HETATM 1331 H26 ASP A 55 11.153 26.435 24.875 1.00 0.05 H HETATM 1332 H24 ASP A 55 12.491 24.802 22.670 1.00 0.08 H HETATM 1333 H23 ASP A 55 9.945 26.271 22.868 1.00 0.19 H HETATM 1334 CB ASP A 55 8.055 24.730 20.277 1.00 0.09 C HETATM 1335 OG1 ASP A 55 6.930 25.344 19.629 1.00 -0.39 O HETATM 1336 H19 ASP A 55 7.205 25.703 18.794 1.00 0.21 H HETATM 1337 CG2 ASP A 55 7.605 24.112 21.600 1.00 -0.03 C HETATM 1338 H20 ASP A 55 6.825 23.360 21.407 1.00 0.03 H HETATM 1339 H21 ASP A 55 7.202 24.899 22.254 1.00 0.03 H HETATM 1340 H22 ASP A 55 8.464 23.631 22.091 1.00 0.03 H HETATM 1341 H18 ASP A 55 8.456 23.935 19.631 1.00 0.06 H HETATM 1342 H17 ASP A 55 8.732 26.601 21.117 1.00 0.08 H HETATM 1343 H16 ASP A 55 9.702 25.727 18.453 1.00 0.19 H HETATM 1344 CB ASP A 55 12.040 27.935 17.844 1.00 0.02 C HETATM 1345 CG ASP A 55 12.745 27.939 16.527 1.00 -0.04 C HETATM 1346 CD1 ASP A 55 13.021 29.137 15.878 1.00 -0.06 C HETATM 1347 CE1 ASP A 55 13.672 29.147 14.658 1.00 -0.07 C HETATM 1348 CZ ASP A 55 14.061 27.955 14.072 1.00 -0.07 C HETATM 1349 CE2 ASP A 55 13.792 26.748 14.707 1.00 -0.07 C HETATM 1350 CD2 ASP A 55 13.139 26.744 15.930 1.00 -0.06 C HETATM 1351 H12 ASP A 55 12.933 25.802 16.426 1.00 0.06 H HETATM 1352 H14 ASP A 55 14.092 25.813 14.248 1.00 0.06 H HETATM 1353 H15 ASP A 55 14.575 27.963 13.118 1.00 0.06 H HETATM 1354 H13 ASP A 55 13.878 30.088 14.161 1.00 0.06 H HETATM 1355 H11 ASP A 55 12.722 30.074 16.334 1.00 0.06 H HETATM 1356 H9 ASP A 55 12.309 27.012 18.378 1.00 0.05 H HETATM 1357 H10 ASP A 55 12.381 28.806 18.422 1.00 0.05 H HETATM 1358 H8 ASP A 55 10.188 27.258 16.986 1.00 0.08 H HETATM 1359 H7 ASP A 55 10.710 30.093 17.345 1.00 0.19 H HETATM 1360 CB ASP A 55 8.099 31.832 17.464 1.00 0.06 C HETATM 1361 CG ASP A 55 9.132 32.873 17.877 1.00 0.04 C HETATM 1362 OD1 ASP A 55 9.577 33.647 17.005 1.00 -0.57 O HETATM 1363 OD2 ASP A 55 9.483 32.935 19.076 1.00 -0.57 O HETATM 1364 H5 ASP A 55 7.894 31.180 18.326 1.00 0.05 H HETATM 1365 H6 ASP A 55 7.175 32.352 17.170 1.00 0.05 H HETATM 1366 H4 ASP A 55 9.483 31.395 15.866 1.00 0.11 H HETATM 1367 H1 ASP A 55 7.321 31.852 14.915 1.00 0.20 H HETATM 1368 H2 ASP A 55 6.679 30.503 15.607 1.00 0.20 H HETATM 1369 H3 ASP A 55 7.847 30.361 14.456 1.00 0.20 H CONECT 1 2 5 6 7 CONECT 5 1 CONECT 6 1 CONECT 7 1 CONECT 1282 1283 1367 1368 1369 CONECT 1283 1282 1284 1360 1366 CONECT 1284 1283 1285 1286 CONECT 1285 1284 CONECT 1286 1284 1287 1359 CONECT 1287 1286 1288 1344 1358 CONECT 1288 1287 1289 1290 CONECT 1289 1288 CONECT 1290 1288 1291 1343 CONECT 1291 1290 1292 1334 1342 CONECT 1292 1291 1293 1294 CONECT 1293 1292 CONECT 1294 1292 1295 1333 CONECT 1295 1294 1296 1318 1332 CONECT 1296 1295 1297 1298 CONECT 1297 1296 CONECT 1298 1296 1299 1317 CONECT 1299 1298 1300 1303 1316 CONECT 1300 1299 1301 1302 CONECT 1301 1300 CONECT 1302 1300 CONECT 1303 1299 1304 1314 1315 CONECT 1304 1303 1305 1309 1313 CONECT 1305 1304 1306 1307 1308 CONECT 1306 1305 CONECT 1307 1305 CONECT 1308 1305 CONECT 1309 1304 1310 1311 1312 CONECT 1310 1309 CONECT 1311 1309 CONECT 1312 1309 CONECT 1313 1304 CONECT 1314 1303 CONECT 1315 1303 CONECT 1316 1299 CONECT 1317 1298 CONECT 1318 1295 1319 1330 1331 CONECT 1319 1318 1320 1324 CONECT 1320 1319 1321 1329 CONECT 1321 1320 1322 1328 CONECT 1322 1321 1323 1327 CONECT 1323 1322 1324 1326 CONECT 1324 1319 1323 1325 CONECT 1325 1324 CONECT 1326 1323 CONECT 1327 1322 CONECT 1328 1321 CONECT 1329 1320 CONECT 1330 1318 CONECT 1331 1318 CONECT 1332 1295 CONECT 1333 1294 CONECT 1334 1291 1335 1337 1341 CONECT 1335 1334 1336 CONECT 1336 1335 CONECT 1337 1334 1338 1339 1340 CONECT 1338 1337 CONECT 1339 1337 CONECT 1340 1337 CONECT 1341 1334 CONECT 1342 1291 CONECT 1343 1290 CONECT 1344 1287 1345 1356 1357 CONECT 1345 1344 1346 1350 CONECT 1346 1345 1347 1355 CONECT 1347 1346 1348 1354 CONECT 1348 1347 1349 1353 CONECT 1349 1348 1350 1352 CONECT 1350 1345 1349 1351 CONECT 1351 1350 CONECT 1352 1349 CONECT 1353 1348 CONECT 1354 1347 CONECT 1355 1346 CONECT 1356 1344 CONECT 1357 1344 CONECT 1358 1287 CONECT 1359 1286 CONECT 1360 1283 1361 1364 1365 CONECT 1361 1360 1362 1363 CONECT 1362 1361 CONECT 1363 1361 CONECT 1364 1360 CONECT 1365 1360 CONECT 1366 1283 CONECT 1367 1282 CONECT 1368 1282 CONECT 1369 1282 MASTER 0 0 0 0 0 0 0 0 1368 1 92 10 END
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Related entries of code: 5azg
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
5azf
RCSB PDB
PDBbind
119aa, >5AZF_1|Chains... *
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
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RCSB PDB
PDBbind
10-mer
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PDBbind
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RCSB PDB
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1ckb
RCSB PDB
PDBbind
10-mer
1eb1
RCSB PDB
PDBbind
10-mer
1gbq
RCSB PDB
PDBbind
10-mer
1gvu
RCSB PDB
PDBbind
10-mer
1him
RCSB PDB
PDBbind
10-mer
1jd5
RCSB PDB
PDBbind
10-mer
1jd6
RCSB PDB
PDBbind
10-mer
1jmq
RCSB PDB
PDBbind
10-mer
1pyw
RCSB PDB
PDBbind
10-mer
1vj6
RCSB PDB
PDBbind
10-mer
1vr1
RCSB PDB
PDBbind
10-mer
1y2a
RCSB PDB
PDBbind
10-mer
1ywi
RCSB PDB
PDBbind
10-mer
1yy6
RCSB PDB
PDBbind
10-mer
1zkk
RCSB PDB
PDBbind
10-mer
2a0t
RCSB PDB
PDBbind
10-mer
2aoh
RCSB PDB
PDBbind
10-mer
2aoj
RCSB PDB
PDBbind
10-mer
2axi
RCSB PDB
PDBbind
10-mer
2azm
RCSB PDB
PDBbind
10-mer
2b7f
RCSB PDB
PDBbind
10-mer
2c2l
RCSB PDB
PDBbind
10-mer
2gfa
RCSB PDB
PDBbind
10-mer
2h13
RCSB PDB
PDBbind
10-mer
2hrp
RCSB PDB
PDBbind
10-mer
2ig0
RCSB PDB
PDBbind
10-mer
2jmj
RCSB PDB
PDBbind
10-mer
2jqi
RCSB PDB
PDBbind
10-mer
2jql
RCSB PDB
PDBbind
10-mer
2k2r
RCSB PDB
PDBbind
10-mer
2ke1
RCSB PDB
PDBbind
10-mer
2mnz
RCSB PDB
PDBbind
10-mer
2nxd
RCSB PDB
PDBbind
10-mer
2nxl
RCSB PDB
PDBbind
10-mer
2nxm
RCSB PDB
PDBbind
10-mer
2o9v
RCSB PDB
PDBbind
10-mer
2peh
RCSB PDB
PDBbind
10-mer
2pr9
RCSB PDB
PDBbind
10-mer
2puy
RCSB PDB
PDBbind
10-mer
2qqs
RCSB PDB
PDBbind
10-mer
2r3y
RCSB PDB
PDBbind
10-mer
2r7g
RCSB PDB
PDBbind
10-mer
2rr4
RCSB PDB
PDBbind
10-mer
2v7d
RCSB PDB
PDBbind
10-mer
2vnf
RCSB PDB
PDBbind
10-mer
2w6t
RCSB PDB
PDBbind
10-mer
2w77
RCSB PDB
PDBbind
10-mer
2wa8
RCSB PDB
PDBbind
10-mer
2wp1
RCSB PDB
PDBbind
10-mer
2z5o
RCSB PDB
PDBbind
10-mer
3al3
RCSB PDB
PDBbind
10-mer
3bh8
RCSB PDB
PDBbind
10-mer
3bh9
RCSB PDB
PDBbind
10-mer
3bhb
RCSB PDB
PDBbind
10-mer
3c94
RCSB PDB
PDBbind
10-mer
3d1e
RCSB PDB
PDBbind
10-mer
3diw
RCSB PDB
PDBbind
10-mer
3dnj
RCSB PDB
PDBbind
10-mer
3dpc
RCSB PDB
PDBbind
10-mer
3dvp
RCSB PDB
PDBbind
10-mer
3ebb
RCSB PDB
PDBbind
10-mer
3er5
RCSB PDB
PDBbind
10-mer
3f9w
RCSB PDB
PDBbind
10-mer
3f9y
RCSB PDB
PDBbind
10-mer
3fe7
RCSB PDB
PDBbind
10-mer
3fea
RCSB PDB
PDBbind
10-mer
3gbq
RCSB PDB
PDBbind
10-mer
3gds
RCSB PDB
PDBbind
10-mer
3hg1
RCSB PDB
PDBbind
10-mer
3iqj
RCSB PDB
PDBbind
10-mer
3ivv
RCSB PDB
PDBbind
10-mer
3nkx
RCSB PDB
PDBbind
10-mer
3oq5
RCSB PDB
PDBbind
10-mer
3puj
RCSB PDB
PDBbind
10-mer
3puk
RCSB PDB
PDBbind
10-mer
3pxe
RCSB PDB
PDBbind
10-mer
3q8d
RCSB PDB
PDBbind
10-mer
3qzt
RCSB PDB
PDBbind
10-mer
3rwi
RCSB PDB
PDBbind
10-mer
3shv
RCSB PDB
PDBbind
10-mer
3szm
RCSB PDB
PDBbind
10-mer
3tkz
RCSB PDB
PDBbind
10-mer
3tl0
RCSB PDB
PDBbind
10-mer
3uii
RCSB PDB
PDBbind
10-mer
3uik
RCSB PDB
PDBbind
10-mer
3uvm
RCSB PDB
PDBbind
10-mer
3zmp
RCSB PDB
PDBbind
10-mer
3zmq
RCSB PDB
PDBbind
10-mer
4bg6
RCSB PDB
PDBbind
10-mer
4e34
RCSB PDB
PDBbind
10-mer
4e35
RCSB PDB
PDBbind
10-mer
4e3b
RCSB PDB
PDBbind
10-mer
4e81
RCSB PDB
PDBbind
10-mer
4e9d
RCSB PDB
PDBbind
10-mer
4er4
RCSB PDB
PDBbind
10-mer
4h39
RCSB PDB
PDBbind
10-mer
4h3b
RCSB PDB
PDBbind
10-mer
4hcz
RCSB PDB
PDBbind
10-mer
4i2w
RCSB PDB
PDBbind
10-mer
4i2z
RCSB PDB
PDBbind
10-mer
4jfd
RCSB PDB
PDBbind
10-mer
4jfe
RCSB PDB
PDBbind
10-mer
4jff
RCSB PDB
PDBbind
10-mer
4jjq
RCSB PDB
PDBbind
10-mer
4joe
RCSB PDB
PDBbind
10-mer
4jof
RCSB PDB
PDBbind
10-mer
4jog
RCSB PDB
PDBbind
10-mer
4joh
RCSB PDB
PDBbind
10-mer
4joj
RCSB PDB
PDBbind
10-mer
4jok
RCSB PDB
PDBbind
10-mer
4k6y
RCSB PDB
PDBbind
10-mer
4k72
RCSB PDB
PDBbind
10-mer
4k75
RCSB PDB
PDBbind
10-mer
4k76
RCSB PDB
PDBbind
10-mer
4k78
RCSB PDB
PDBbind
10-mer
4lnp
RCSB PDB
PDBbind
10-mer
4mdr
RCSB PDB
PDBbind
10-mer
4n84
RCSB PDB
PDBbind
10-mer
4nmo
RCSB PDB
PDBbind
10-mer
4nmp
RCSB PDB
PDBbind
10-mer
4nmq
RCSB PDB
PDBbind
10-mer
4nmr
RCSB PDB
PDBbind
10-mer
4nms
RCSB PDB
PDBbind
10-mer
4nmt
RCSB PDB
PDBbind
10-mer
4nmv
RCSB PDB
PDBbind
10-mer
4o2c
RCSB PDB
PDBbind
10-mer
4oz1
RCSB PDB
PDBbind
10-mer
4p0a
RCSB PDB
PDBbind
10-mer
4p0b
RCSB PDB
PDBbind
10-mer
4qok
RCSB PDB
PDBbind
10-mer
4rqz
RCSB PDB
PDBbind
10-mer
4u90
RCSB PDB
PDBbind
10-mer
4v11
RCSB PDB
PDBbind
10-mer
4wj5
RCSB PDB
PDBbind
10-mer
4x1n
RCSB PDB
PDBbind
10-mer
4x1p
RCSB PDB
PDBbind
10-mer
4x1q
RCSB PDB
PDBbind
10-mer
4x1r
RCSB PDB
PDBbind
10-mer
4x1s
RCSB PDB
PDBbind
10-mer
4x34
RCSB PDB
PDBbind
10-mer
4x3s
RCSB PDB
PDBbind
10-mer
4x8n
RCSB PDB
PDBbind
10-mer
4xhv
RCSB PDB
PDBbind
10-mer
4z0u
RCSB PDB
PDBbind
10-mer
4z7i
RCSB PDB
PDBbind
10-mer
4zhl
RCSB PDB
PDBbind
10-mer
4zhm
RCSB PDB
PDBbind
10-mer
5ab0
RCSB PDB
PDBbind
10-mer
5aei
RCSB PDB
PDBbind
10-mer
5c0m
RCSB PDB
PDBbind
10-mer
5c11
RCSB PDB
PDBbind
10-mer
5c13
RCSB PDB
PDBbind
10-mer
5d6y
RCSB PDB
PDBbind
10-mer
5gp7
RCSB PDB
PDBbind
10-mer
5gs4
RCSB PDB
PDBbind
10-mer
5gtr
RCSB PDB
PDBbind
10-mer
5iaw
RCSB PDB
PDBbind
10-mer
5j31
RCSB PDB
PDBbind
10-mer
5jzi
RCSB PDB
PDBbind
10-mer
5myo
RCSB PDB
PDBbind
10-mer
5n1y
RCSB PDB
PDBbind
10-mer
5nx2
RCSB PDB
PDBbind
10-mer
5t6z
RCSB PDB
PDBbind
10-mer
5t70
RCSB PDB
PDBbind
10-mer
5t8r
RCSB PDB
PDBbind
10-mer
5vnb
RCSB PDB
PDBbind
10-mer
5w7i
RCSB PDB
PDBbind
10-mer
5w7j
RCSB PDB
PDBbind
10-mer
5wkf
RCSB PDB
PDBbind
10-mer
5wkh
RCSB PDB
PDBbind
10-mer
6ar2
RCSB PDB
PDBbind
10-mer
6buu
RCSB PDB
PDBbind
10-mer
6fkp
RCSB PDB
PDBbind
10-mer
6mim
RCSB PDB
PDBbind
10-mer
6qtx
RCSB PDB
PDBbind
10-mer
6pek
RCSB PDB
PDBbind
10-mer
6iiw
RCSB PDB
PDBbind
10-mer
6hzx
RCSB PDB
PDBbind
10-mer
6hoi
RCSB PDB
PDBbind
10-mer
6dkp
RCSB PDB
PDBbind
10-mer
6a8n
RCSB PDB
PDBbind
10-mer
5zys
RCSB PDB
PDBbind
10-mer
Entry Information
PDB ID
5azg
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Protein lgg-1
Ligand Name
10-mer
EC.Number
E.C.-.-.-.-
Resolution
1.81(Å)
Affinity (Kd/Ki/IC50)
Kd=2.9uM
Release Year
2015
Protein/NA Sequence
Check fasta file
Primary Reference
(2015) Mol.Cell Vol. 60: pp. 914-929
Ligand Properties
Formula
C
3
2
H
4
4
N
5
O
9
Molecular Weight
642.720
Exact Mass
642.314
No. of atoms
90
No. of bonds
91
Polar Surface Area
238.87
LOGP Value
1.33 (
Computed with XLOGP3
)
0.57 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 9
No. of Rotatable Bonds: 21
No. of Nitrogen and Oxygen Atoms: 14
No. of Rings: 2
Canonical SMILES
OC(=O)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)Cc1ccccc1)[C@H](O)C)Cc1ccccc1)[NH3+]
InChI String
InChI=1S/C32H43N5O9/c1-18(2)14-25(32(45)46)36-29(42)23(15-20-10-6-4-7-11-20)35-31(44)27(19(3)38)37-30(43)24(16-21-12-8-5-9-13-21)34-28(41)22(33)17-26(39)40/h4-13,18-19,22-25,27,38H,14-17,33H2,1-3H3,(H,34,41)(H,35,44)(H,36,42)(H,37,43)(H,39,40)(H,45,46)/p+1/t19-,22+,23+,24+,25+,27+/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):
Q23023
Q09490
Entrez Gene ID
NCBI Entrez Gene ID:
180311
174050
ASD
Information of known allosteric effects of PDB entries
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