Browse entries in the PDBbind-CN Database
HEADER 5IF6_COMPLEX COMPND 5IF6_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 134 THR GLN SER PRO ALA LEU ILE ALA SER GLN SER LEU GLY SEQRES 2 A 134 ARG CYS THR GLN ALA LYS ASP ARG GLU GLY TRP LEU ALA SEQRES 3 A 134 LEU MET ALA ASP ASP VAL VAL ILE GLU THR PRO ILE GLY SEQRES 4 A 134 LYS SER VAL THR ASN PRO ASP GLY SER GLY ILE LYS GLY SEQRES 5 A 134 LYS GLU ALA VAL GLY ALA PHE TRP ASP THR HIS ILE ALA SEQRES 6 A 134 ASP ASP ARG VAL THR VAL THR CYS GLU GLU THR PHE PRO SEQRES 7 A 134 SER SER SER PRO ASP GLU ILE ALA HIS ILE LEU VAL ALA SEQRES 8 A 134 HIS ALA GLU PHE ASP GLY GLY PHE THR SER GLU VAL ARG SEQRES 9 A 134 GLY VAL PHE THR TYR ARG VAL ASN LYS ALA GLY LEU ILE SEQRES 10 A 134 THR ASN LEU ARG GLY TYR TYR ASN LEU ASP MET MET THR SEQRES 11 A 134 PHE GLY ASN GLN HET NA A 1 1 HET UNN A 151 54 ATOM 1 N THR A 1 -9.713 48.131 27.220 1.00 80.14 N ATOM 2 CA THR A 1 -10.240 46.756 27.433 1.00 77.11 C ATOM 3 C THR A 1 -9.332 45.714 26.782 1.00 75.24 C ATOM 4 O THR A 1 -8.939 45.847 25.623 1.00 79.61 O ATOM 5 CB THR A 1 -11.690 46.622 26.881 1.00 80.54 C ATOM 6 OG1 THR A 1 -12.234 45.348 27.251 1.00 78.81 O ATOM 7 CG2 THR A 1 -11.734 46.768 25.355 1.00 78.84 C ATOM 8 HG1 THR A 1 -13.155 45.269 26.898 1.00 0.00 H ATOM 9 HN3 THR A 1 -9.659 48.326 26.200 1.00 0.00 H ATOM 10 HN2 THR A 1 -8.764 48.206 27.639 1.00 0.00 H ATOM 11 HN1 THR A 1 -10.349 48.819 27.672 1.00 0.00 H ATOM 12 N GLN A 2 -8.970 44.697 27.557 1.00 68.59 N ATOM 13 CA GLN A 2 -8.177 43.578 27.061 1.00 63.92 C ATOM 14 C GLN A 2 -9.121 42.460 26.662 1.00 59.57 C ATOM 15 O GLN A 2 -10.133 42.233 27.327 1.00 57.16 O ATOM 16 CB GLN A 2 -7.174 43.079 28.101 1.00 60.80 C ATOM 17 CG GLN A 2 -6.130 44.100 28.499 1.00 65.36 C ATOM 18 CD GLN A 2 -4.988 43.480 29.275 1.00 63.92 C ATOM 19 OE1 GLN A 2 -5.197 42.618 30.127 1.00 67.76 O ATOM 20 NE2 GLN A 2 -3.768 43.905 28.972 1.00 69.86 N ATOM 21 HE22 GLN A 2 -3.638 44.636 28.244 1.00 0.00 H ATOM 22 HE21 GLN A 2 -2.942 43.507 29.462 1.00 0.00 H ATOM 23 H GLN A 2 -9.263 44.699 28.555 1.00 0.00 H ATOM 24 N SER A 3 -8.804 41.759 25.582 1.00 54.89 N ATOM 25 CA SER A 3 -9.701 40.723 25.105 1.00 55.72 C ATOM 26 C SER A 3 -9.532 39.487 25.980 1.00 45.99 C ATOM 27 O SER A 3 -8.486 39.306 26.598 1.00 51.28 O ATOM 28 CB SER A 3 -9.407 40.391 23.642 1.00 53.77 C ATOM 29 OG SER A 3 -8.140 39.768 23.513 1.00 54.53 O ATOM 30 HG SER A 3 -7.970 39.562 22.560 1.00 0.00 H ATOM 31 H SER A 3 -7.915 41.951 25.078 1.00 0.00 H ATOM 32 N PRO A 4 -10.569 38.640 26.047 1.00 52.16 N ATOM 33 CA PRO A 4 -10.492 37.445 26.894 1.00 53.84 C ATOM 34 C PRO A 4 -9.330 36.534 26.517 1.00 49.67 C ATOM 35 O PRO A 4 -8.766 35.862 27.382 1.00 43.93 O ATOM 36 CB PRO A 4 -11.836 36.751 26.648 1.00 48.18 C ATOM 37 CG PRO A 4 -12.747 37.835 26.200 1.00 45.65 C ATOM 38 CD PRO A 4 -11.906 38.809 25.450 1.00 50.02 C ATOM 39 N ALA A 5 -8.976 36.526 25.237 1.00 49.07 N ATOM 40 CA ALA A 5 -7.873 35.709 24.755 1.00 51.02 C ATOM 41 C ALA A 5 -6.533 36.216 25.285 1.00 49.49 C ATOM 42 O ALA A 5 -5.739 35.437 25.814 1.00 45.11 O ATOM 43 CB ALA A 5 -7.866 35.684 23.234 1.00 46.92 C ATOM 44 H ALA A 5 -9.500 37.119 24.562 1.00 0.00 H ATOM 45 N LEU A 6 -6.294 37.519 25.154 1.00 47.34 N ATOM 46 CA LEU A 6 -5.041 38.123 25.608 1.00 46.73 C ATOM 47 C LEU A 6 -4.865 37.999 27.118 1.00 48.55 C ATOM 48 O LEU A 6 -3.776 37.693 27.599 1.00 51.10 O ATOM 49 CB LEU A 6 -4.971 39.596 25.200 1.00 46.54 C ATOM 50 CG LEU A 6 -3.688 40.343 25.588 1.00 48.03 C ATOM 51 CD1 LEU A 6 -2.433 39.597 25.134 1.00 48.81 C ATOM 52 CD2 LEU A 6 -3.696 41.754 25.022 1.00 43.65 C ATOM 53 H LEU A 6 -7.018 38.124 24.717 1.00 0.00 H ATOM 54 N ILE A 7 -5.935 38.262 27.861 1.00 50.72 N ATOM 55 CA ILE A 7 -5.914 38.117 29.313 1.00 52.18 C ATOM 56 C ILE A 7 -5.548 36.686 29.693 1.00 51.35 C ATOM 57 O ILE A 7 -4.729 36.460 30.585 1.00 46.79 O ATOM 58 CB ILE A 7 -7.273 38.500 29.940 1.00 52.32 C ATOM 59 CG1 ILE A 7 -7.505 40.007 29.804 1.00 58.44 C ATOM 60 CG2 ILE A 7 -7.332 38.093 31.413 1.00 53.43 C ATOM 61 CD1 ILE A 7 -8.911 40.456 30.160 1.00 60.45 C ATOM 62 H ILE A 7 -6.809 38.579 27.396 1.00 0.00 H ATOM 63 N ALA A 8 -6.175 35.725 29.022 1.00 50.62 N ATOM 64 CA ALA A 8 -5.948 34.314 29.304 1.00 50.58 C ATOM 65 C ALA A 8 -4.501 33.901 29.030 1.00 53.73 C ATOM 66 O ALA A 8 -3.868 33.248 29.861 1.00 49.10 O ATOM 67 CB ALA A 8 -6.901 33.457 28.488 1.00 48.71 C ATOM 68 H ALA A 8 -6.847 35.988 28.274 1.00 0.00 H ATOM 69 N SER A 9 -3.981 34.287 27.868 1.00 46.81 N ATOM 70 CA SER A 9 -2.635 33.889 27.469 1.00 51.38 C ATOM 71 C SER A 9 -1.577 34.462 28.404 1.00 55.67 C ATOM 72 O SER A 9 -0.649 33.759 28.804 1.00 55.21 O ATOM 73 CB SER A 9 -2.351 34.333 26.032 1.00 48.14 C ATOM 74 OG SER A 9 -2.285 35.744 25.935 1.00 53.81 O ATOM 75 HG SER A 9 -2.101 36.001 24.997 1.00 0.00 H ATOM 76 H SER A 9 -4.545 34.885 27.231 1.00 0.00 H ATOM 77 N GLN A 10 -1.727 35.735 28.759 1.00 51.96 N ATOM 78 CA GLN A 10 -0.784 36.393 29.657 1.00 51.52 C ATOM 79 C GLN A 10 -0.867 35.824 31.069 1.00 50.41 C ATOM 80 O GLN A 10 0.148 35.686 31.751 1.00 56.15 O ATOM 81 CB GLN A 10 -1.029 37.900 29.682 1.00 53.27 C ATOM 82 CG GLN A 10 -0.650 38.587 28.384 1.00 57.67 C ATOM 83 CD GLN A 10 -0.768 40.089 28.466 1.00 56.41 C ATOM 84 OE1 GLN A 10 -1.662 40.620 29.124 1.00 54.59 O ATOM 85 NE2 GLN A 10 0.141 40.787 27.796 1.00 62.13 N ATOM 86 HE22 GLN A 10 0.879 40.294 27.253 1.00 0.00 H ATOM 87 HE21 GLN A 10 0.115 41.827 27.814 1.00 0.00 H ATOM 88 H GLN A 10 -2.535 36.274 28.388 1.00 0.00 H ATOM 89 N SER A 11 -2.079 35.487 31.498 1.00 51.05 N ATOM 90 CA SER A 11 -2.290 34.920 32.824 1.00 50.93 C ATOM 91 C SER A 11 -1.642 33.544 32.916 1.00 50.25 C ATOM 92 O SER A 11 -1.107 33.162 33.959 1.00 46.63 O ATOM 93 CB SER A 11 -3.784 34.813 33.134 1.00 51.58 C ATOM 94 OG SER A 11 -4.360 36.088 33.344 1.00 50.15 O ATOM 95 HG SER A 11 -4.246 36.639 32.529 1.00 0.00 H ATOM 96 H SER A 11 -2.897 35.631 30.872 1.00 0.00 H ATOM 97 N LEU A 12 -1.701 32.800 31.817 1.00 47.04 N ATOM 98 CA LEU A 12 -1.120 31.467 31.764 1.00 55.08 C ATOM 99 C LEU A 12 0.391 31.543 31.966 1.00 52.91 C ATOM 100 O LEU A 12 0.975 30.710 32.656 1.00 54.58 O ATOM 101 CB LEU A 12 -1.447 30.793 30.430 1.00 51.69 C ATOM 102 CG LEU A 12 -1.275 29.274 30.359 1.00 53.77 C ATOM 103 CD1 LEU A 12 -2.275 28.569 31.261 1.00 55.09 C ATOM 104 CD2 LEU A 12 -1.416 28.788 28.925 1.00 53.35 C ATOM 105 H LEU A 12 -2.175 33.180 30.973 1.00 0.00 H ATOM 106 N GLY A 13 1.015 32.555 31.372 1.00 56.61 N ATOM 107 CA GLY A 13 2.450 32.745 31.496 1.00 60.05 C ATOM 108 C GLY A 13 2.883 33.148 32.894 1.00 52.64 C ATOM 109 O GLY A 13 3.918 32.695 33.383 1.00 55.83 O ATOM 110 H GLY A 13 0.462 33.228 30.804 1.00 0.00 H ATOM 111 N ARG A 14 2.093 33.999 33.540 1.00 46.16 N ATOM 112 CA ARG A 14 2.411 34.462 34.885 1.00 46.89 C ATOM 113 C ARG A 14 2.333 33.302 35.873 1.00 51.85 C ATOM 114 O ARG A 14 3.146 33.199 36.790 1.00 59.13 O ATOM 115 CB ARG A 14 1.462 35.582 35.313 1.00 47.43 C ATOM 116 CG ARG A 14 1.880 36.960 34.828 1.00 54.47 C ATOM 117 CD ARG A 14 1.084 38.057 35.505 1.00 60.53 C ATOM 118 NE ARG A 14 -0.351 37.786 35.475 1.00 70.70 N ATOM 119 CZ ARG A 14 -1.188 38.197 34.527 1.00 64.02 C ATOM 120 NH1 ARG A 14 -2.474 37.889 34.619 1.00 59.00 N ATOM 121 NH2 ARG A 14 -0.752 38.892 33.483 1.00 57.58 N ATOM 122 HE ARG A 14 -0.749 37.228 36.257 1.00 0.00 H ATOM 123 HH12 ARG A 14 -3.138 38.205 33.884 1.00 0.00 H ATOM 124 HH11 ARG A 14 -2.819 37.332 35.426 1.00 0.00 H ATOM 125 HH22 ARG A 14 -1.421 39.205 32.751 1.00 0.00 H ATOM 126 HH21 ARG A 14 0.258 39.123 33.397 1.00 0.00 H ATOM 127 H ARG A 14 1.228 34.342 33.075 1.00 0.00 H ATOM 128 N CYS A 15 1.347 32.431 35.677 1.00 47.89 N ATOM 129 CA CYS A 15 1.170 31.271 36.540 1.00 50.61 C ATOM 130 C CYS A 15 2.286 30.258 36.307 1.00 48.75 C ATOM 131 O CYS A 15 2.667 29.520 37.216 1.00 47.76 O ATOM 132 CB CYS A 15 -0.194 30.617 36.292 1.00 55.31 C ATOM 133 SG CYS A 15 -1.607 31.517 36.987 1.00 51.95 S ATOM 134 H CYS A 15 0.686 32.582 34.888 1.00 0.00 H ATOM 135 N THR A 16 2.818 30.238 35.088 1.00 46.29 N ATOM 136 CA THR A 16 3.908 29.334 34.747 1.00 56.32 C ATOM 137 C THR A 16 5.209 29.792 35.393 1.00 56.24 C ATOM 138 O THR A 16 5.953 28.985 35.948 1.00 54.09 O ATOM 139 CB THR A 16 4.108 29.247 33.222 1.00 55.25 C ATOM 140 OG1 THR A 16 2.864 28.924 32.592 1.00 56.92 O ATOM 141 CG2 THR A 16 5.144 28.184 32.870 1.00 51.39 C ATOM 142 HG1 THR A 16 2.199 29.628 32.797 1.00 0.00 H ATOM 143 H THR A 16 2.447 30.883 34.361 1.00 0.00 H ATOM 144 N GLN A 17 5.469 31.096 35.321 1.00 57.67 N ATOM 145 CA GLN A 17 6.687 31.681 35.875 1.00 57.60 C ATOM 146 C GLN A 17 6.686 31.696 37.401 1.00 59.38 C ATOM 147 O GLN A 17 7.685 32.061 38.021 1.00 66.12 O ATOM 148 CB GLN A 17 6.874 33.105 35.349 1.00 53.82 C ATOM 149 H GLN A 17 4.780 31.720 34.854 1.00 0.00 H ATOM 150 N ALA A 18 5.568 31.294 37.999 1.00 53.30 N ATOM 151 CA ALA A 18 5.435 31.266 39.452 1.00 53.51 C ATOM 152 C ALA A 18 5.110 29.858 39.938 1.00 52.86 C ATOM 153 O ALA A 18 4.899 29.640 41.133 1.00 51.01 O ATOM 154 CB ALA A 18 4.359 32.236 39.900 1.00 53.44 C ATOM 155 H ALA A 18 4.764 30.990 37.413 1.00 0.00 H ATOM 156 N LYS A 19 5.092 28.908 39.006 1.00 53.53 N ATOM 157 CA LYS A 19 4.802 27.510 39.316 1.00 60.51 C ATOM 158 C LYS A 19 3.544 27.354 40.166 1.00 53.68 C ATOM 159 O LYS A 19 3.509 26.558 41.105 1.00 52.56 O ATOM 160 CB LYS A 19 5.996 26.857 40.018 1.00 61.46 C ATOM 161 CG LYS A 19 7.300 26.856 39.214 1.00 60.50 C ATOM 162 CD LYS A 19 7.197 25.952 37.982 1.00 62.83 C ATOM 163 CE LYS A 19 8.302 26.207 36.961 1.00 63.71 C ATOM 164 NZ LYS A 19 8.351 27.600 36.443 1.00 60.74 N ATOM 165 HZ1 LYS A 19 7.449 27.827 35.978 1.00 0.00 H ATOM 166 HZ2 LYS A 19 8.510 28.257 37.233 1.00 0.00 H ATOM 167 HZ3 LYS A 19 9.128 27.686 35.757 1.00 0.00 H ATOM 168 H LYS A 19 5.292 29.171 38.020 1.00 0.00 H ATOM 169 N ASP A 20 2.514 28.118 39.816 1.00 53.59 N ATOM 170 CA ASP A 20 1.231 28.051 40.500 1.00 55.38 C ATOM 171 C ASP A 20 0.343 27.056 39.766 1.00 54.40 C ATOM 172 O ASP A 20 -0.440 27.432 38.893 1.00 51.60 O ATOM 173 CB ASP A 20 0.571 29.431 40.552 1.00 59.50 C ATOM 174 CG ASP A 20 -0.764 29.415 41.272 1.00 53.64 C ATOM 175 OD1 ASP A 20 -1.074 28.408 41.944 1.00 58.17 O ATOM 176 OD2 ASP A 20 -1.505 30.413 41.164 1.00 59.77 O ATOM 177 H ASP A 20 2.629 28.786 39.027 1.00 0.00 H ATOM 178 N ARG A 21 0.487 25.784 40.125 1.00 54.18 N ATOM 179 CA ARG A 21 -0.213 24.691 39.460 1.00 54.64 C ATOM 180 C ARG A 21 -1.727 24.888 39.452 1.00 53.30 C ATOM 181 O ARG A 21 -2.371 24.740 38.413 1.00 53.91 O ATOM 182 CB ARG A 21 0.131 23.364 40.140 1.00 52.18 C ATOM 183 CG ARG A 21 -0.424 22.137 39.436 1.00 54.63 C ATOM 184 CD ARG A 21 -0.003 20.861 40.144 1.00 55.03 C ATOM 185 NE ARG A 21 -0.359 19.666 39.385 1.00 60.01 N ATOM 186 CZ ARG A 21 -1.578 19.135 39.346 1.00 65.12 C ATOM 187 NH1 ARG A 21 -2.578 19.697 40.012 1.00 62.58 N ATOM 188 NH2 ARG A 21 -1.800 18.042 38.628 1.00 61.34 N ATOM 189 HE ARG A 21 0.391 19.198 38.838 1.00 0.00 H ATOM 190 HH12 ARG A 21 -3.528 19.276 39.976 1.00 0.00 H ATOM 191 HH11 ARG A 21 -2.412 20.559 40.570 1.00 0.00 H ATOM 192 HH22 ARG A 21 -2.752 17.625 38.596 1.00 0.00 H ATOM 193 HH21 ARG A 21 -1.022 17.602 38.097 1.00 0.00 H ATOM 194 H ARG A 21 1.126 25.559 40.914 1.00 0.00 H ATOM 195 N GLU A 22 -2.289 25.223 40.610 1.00 57.13 N ATOM 196 CA GLU A 22 -3.737 25.348 40.755 1.00 49.46 C ATOM 197 C GLU A 22 -4.283 26.526 39.950 1.00 50.19 C ATOM 198 O GLU A 22 -5.308 26.405 39.280 1.00 51.53 O ATOM 199 CB GLU A 22 -4.113 25.503 42.230 1.00 40.02 C ATOM 200 H GLU A 22 -1.681 25.401 41.435 1.00 0.00 H ATOM 201 N GLY A 23 -3.593 27.660 40.015 1.00 50.27 N ATOM 202 CA GLY A 23 -3.988 28.836 39.259 1.00 46.48 C ATOM 203 C GLY A 23 -3.856 28.612 37.765 1.00 47.45 C ATOM 204 O GLY A 23 -4.649 29.120 36.974 1.00 51.68 O ATOM 205 H GLY A 23 -2.750 27.707 40.622 1.00 0.00 H ATOM 206 N TRP A 24 -2.834 27.854 37.385 1.00 48.49 N ATOM 207 CA TRP A 24 -2.584 27.508 35.989 1.00 50.77 C ATOM 208 C TRP A 24 -3.750 26.730 35.390 1.00 48.18 C ATOM 209 O TRP A 24 -4.223 27.044 34.297 1.00 45.23 O ATOM 210 CB TRP A 24 -1.292 26.693 35.886 1.00 52.32 C ATOM 211 CG TRP A 24 -0.756 26.509 34.498 1.00 47.40 C ATOM 212 CD1 TRP A 24 -0.172 27.457 33.712 1.00 51.88 C ATOM 213 CD2 TRP A 24 -0.719 25.289 33.748 1.00 46.67 C ATOM 214 NE1 TRP A 24 0.215 26.907 32.513 1.00 48.31 N ATOM 215 CE2 TRP A 24 -0.108 25.576 32.512 1.00 47.08 C ATOM 216 CE3 TRP A 24 -1.145 23.981 34.003 1.00 46.75 C ATOM 217 CZ2 TRP A 24 0.084 24.605 31.530 1.00 51.48 C ATOM 218 CZ3 TRP A 24 -0.954 23.019 33.027 1.00 46.84 C ATOM 219 CH2 TRP A 24 -0.344 23.335 31.807 1.00 49.14 C ATOM 220 HE1 TRP A 24 0.677 27.418 31.734 1.00 0.00 H ATOM 221 H TRP A 24 -2.185 27.492 38.112 1.00 0.00 H ATOM 222 N LEU A 25 -4.209 25.718 36.118 1.00 49.22 N ATOM 223 CA LEU A 25 -5.291 24.860 35.651 1.00 46.88 C ATOM 224 C LEU A 25 -6.640 25.574 35.652 1.00 45.16 C ATOM 225 O LEU A 25 -7.513 25.264 34.843 1.00 47.51 O ATOM 226 CB LEU A 25 -5.374 23.608 36.523 1.00 44.34 C ATOM 227 CG LEU A 25 -4.216 22.622 36.369 1.00 50.45 C ATOM 228 CD1 LEU A 25 -4.167 21.679 37.557 1.00 51.61 C ATOM 229 CD2 LEU A 25 -4.341 21.845 35.070 1.00 46.22 C ATOM 230 H LEU A 25 -3.784 25.532 37.049 1.00 0.00 H ATOM 231 N ALA A 26 -6.802 26.539 36.551 1.00 46.08 N ATOM 232 CA ALA A 26 -8.064 27.262 36.684 1.00 50.16 C ATOM 233 C ALA A 26 -8.334 28.157 35.477 1.00 47.25 C ATOM 234 O ALA A 26 -9.457 28.623 35.280 1.00 48.51 O ATOM 235 CB ALA A 26 -8.065 28.090 37.960 1.00 44.14 C ATOM 236 H ALA A 26 -6.009 26.786 37.177 1.00 0.00 H ATOM 237 N LEU A 27 -7.300 28.410 34.681 1.00 47.73 N ATOM 238 CA LEU A 27 -7.440 29.241 33.492 1.00 44.79 C ATOM 239 C LEU A 27 -7.943 28.435 32.296 1.00 45.65 C ATOM 240 O LEU A 27 -8.201 28.991 31.228 1.00 49.06 O ATOM 241 CB LEU A 27 -6.098 29.890 33.148 1.00 47.05 C ATOM 242 CG LEU A 27 -5.568 30.903 34.163 1.00 52.76 C ATOM 243 CD1 LEU A 27 -4.105 31.215 33.889 1.00 58.69 C ATOM 244 CD2 LEU A 27 -6.398 32.177 34.140 1.00 54.43 C ATOM 245 H LEU A 27 -6.370 28.006 34.912 1.00 0.00 H ATOM 246 N MET A 28 -8.094 27.128 32.485 1.00 45.80 N ATOM 247 CA MET A 28 -8.439 26.224 31.391 1.00 45.67 C ATOM 248 C MET A 28 -9.824 25.626 31.559 1.00 44.41 C ATOM 249 O MET A 28 -10.324 25.493 32.675 1.00 43.94 O ATOM 250 CB MET A 28 -7.409 25.098 31.282 1.00 44.08 C ATOM 251 CG MET A 28 -5.982 25.581 31.146 1.00 45.11 C ATOM 252 SD MET A 28 -4.820 24.213 31.110 1.00 58.26 S ATOM 253 CE MET A 28 -3.283 25.102 30.939 1.00 45.81 C ATOM 254 H MET A 28 -7.963 26.738 33.440 1.00 0.00 H ATOM 255 N ALA A 29 -10.432 25.255 30.436 1.00 45.65 N ATOM 256 CA ALA A 29 -11.706 24.551 30.448 1.00 45.91 C ATOM 257 C ALA A 29 -11.446 23.079 30.730 1.00 48.67 C ATOM 258 O ALA A 29 -10.321 22.604 30.575 1.00 49.87 O ATOM 259 CB ALA A 29 -12.433 24.730 29.127 1.00 40.88 C ATOM 260 H ALA A 29 -9.984 25.474 29.523 1.00 0.00 H ATOM 261 N ASP A 30 -12.482 22.360 31.149 1.00 50.77 N ATOM 262 CA ASP A 30 -12.339 20.952 31.500 1.00 48.72 C ATOM 263 C ASP A 30 -11.995 20.105 30.281 1.00 51.00 C ATOM 264 O ASP A 30 -11.418 19.027 30.408 1.00 55.36 O ATOM 265 CB ASP A 30 -13.628 20.432 32.140 1.00 48.05 C ATOM 266 CG ASP A 30 -13.910 21.069 33.488 1.00 58.86 C ATOM 267 OD1 ASP A 30 -12.946 21.451 34.185 1.00 61.15 O ATOM 268 OD2 ASP A 30 -15.099 21.191 33.851 1.00 64.63 O ATOM 269 H ASP A 30 -13.415 22.812 31.228 1.00 0.00 H ATOM 270 N ASP A 31 -12.333 20.614 29.101 1.00 54.90 N ATOM 271 CA ASP A 31 -12.085 19.912 27.846 1.00 53.50 C ATOM 272 C ASP A 31 -10.931 20.547 27.073 1.00 48.15 C ATOM 273 O ASP A 31 -10.886 20.492 25.843 1.00 48.47 O ATOM 274 CB ASP A 31 -13.352 19.906 26.989 1.00 53.16 C ATOM 275 CG ASP A 31 -13.769 21.299 26.558 1.00 59.73 C ATOM 276 OD1 ASP A 31 -13.509 22.259 27.314 1.00 61.66 O ATOM 277 OD2 ASP A 31 -14.349 21.439 25.461 1.00 66.18 O ATOM 278 H ASP A 31 -12.791 21.547 29.071 1.00 0.00 H ATOM 279 N VAL A 32 -9.997 21.143 27.806 1.00 49.41 N ATOM 280 CA VAL A 32 -8.849 21.812 27.203 1.00 49.23 C ATOM 281 C VAL A 32 -7.992 20.831 26.409 1.00 45.13 C ATOM 282 O VAL A 32 -7.836 19.676 26.799 1.00 43.61 O ATOM 283 CB VAL A 32 -7.977 22.505 28.277 1.00 44.91 C ATOM 284 CG1 VAL A 32 -7.444 21.488 29.284 1.00 44.84 C ATOM 285 CG2 VAL A 32 -6.835 23.276 27.626 1.00 44.51 C ATOM 286 H VAL A 32 -10.087 21.132 28.842 1.00 0.00 H ATOM 287 N VAL A 33 -7.461 21.299 25.283 1.00 46.42 N ATOM 288 CA VAL A 33 -6.551 20.505 24.466 1.00 46.30 C ATOM 289 C VAL A 33 -5.267 21.290 24.210 1.00 42.89 C ATOM 290 O VAL A 33 -5.281 22.327 23.548 1.00 42.30 O ATOM 291 CB VAL A 33 -7.190 20.109 23.123 1.00 48.74 C ATOM 292 CG1 VAL A 33 -6.194 19.326 22.261 1.00 48.41 C ATOM 293 CG2 VAL A 33 -8.439 19.286 23.358 1.00 51.58 C ATOM 294 H VAL A 33 -7.703 22.263 24.975 1.00 0.00 H ATOM 295 N ILE A 34 -4.161 20.778 24.740 1.00 46.14 N ATOM 296 CA ILE A 34 -2.856 21.407 24.578 1.00 41.27 C ATOM 297 C ILE A 34 -2.024 20.626 23.568 1.00 40.56 C ATOM 298 O ILE A 34 -1.795 19.429 23.731 1.00 46.30 O ATOM 299 CB ILE A 34 -2.114 21.500 25.925 1.00 41.30 C ATOM 300 CG1 ILE A 34 -2.942 22.348 26.902 1.00 44.54 C ATOM 301 CG2 ILE A 34 -0.704 22.067 25.724 1.00 48.13 C ATOM 302 CD1 ILE A 34 -2.240 22.737 28.189 1.00 55.11 C ATOM 303 H ILE A 34 -4.229 19.898 25.290 1.00 0.00 H ATOM 304 N GLU A 35 -1.590 21.320 22.521 1.00 44.10 N ATOM 305 CA GLU A 35 -0.765 20.729 21.474 1.00 44.68 C ATOM 306 C GLU A 35 0.553 21.486 21.330 1.00 46.61 C ATOM 307 O GLU A 35 0.701 22.335 20.450 1.00 44.01 O ATOM 308 CB GLU A 35 -1.521 20.729 20.146 1.00 37.83 C ATOM 309 CG GLU A 35 -2.872 20.038 20.213 1.00 44.95 C ATOM 310 CD GLU A 35 -3.673 20.203 18.940 1.00 48.87 C ATOM 311 OE1 GLU A 35 -4.652 20.977 18.955 1.00 53.63 O ATOM 312 OE2 GLU A 35 -3.327 19.564 17.924 1.00 52.40 O ATOM 313 H GLU A 35 -1.849 22.324 22.445 1.00 0.00 H ATOM 314 N THR A 36 1.511 21.163 22.195 1.00 47.53 N ATOM 315 CA THR A 36 2.818 21.813 22.181 1.00 49.25 C ATOM 316 C THR A 36 3.928 20.783 21.995 1.00 53.72 C ATOM 317 O THR A 36 4.385 20.184 22.970 1.00 53.33 O ATOM 318 CB THR A 36 3.081 22.597 23.482 1.00 45.78 C ATOM 319 OG1 THR A 36 2.910 21.731 24.611 1.00 53.52 O ATOM 320 CG2 THR A 36 2.127 23.773 23.599 1.00 51.90 C ATOM 321 HG1 THR A 36 3.548 20.977 24.547 1.00 0.00 H ATOM 322 H THR A 36 1.323 20.425 22.903 1.00 0.00 H ATOM 323 N PRO A 37 4.360 20.558 20.742 1.00 54.65 N ATOM 324 CA PRO A 37 3.895 21.176 19.496 1.00 49.66 C ATOM 325 C PRO A 37 2.736 20.421 18.864 1.00 51.34 C ATOM 326 O PRO A 37 2.236 19.451 19.434 1.00 49.94 O ATOM 327 CB PRO A 37 5.131 21.104 18.603 1.00 49.57 C ATOM 328 CG PRO A 37 5.786 19.837 19.011 1.00 52.23 C ATOM 329 CD PRO A 37 5.490 19.646 20.488 1.00 51.10 C ATOM 330 N ILE A 38 2.320 20.878 17.689 1.00 50.45 N ATOM 331 CA ILE A 38 1.365 20.147 16.873 1.00 48.93 C ATOM 332 C ILE A 38 2.101 18.975 16.231 1.00 49.62 C ATOM 333 O ILE A 38 3.124 19.168 15.573 1.00 52.49 O ATOM 334 CB ILE A 38 0.741 21.061 15.793 1.00 49.08 C ATOM 335 CG1 ILE A 38 -0.092 22.161 16.453 1.00 50.18 C ATOM 336 CG2 ILE A 38 -0.128 20.267 14.829 1.00 51.52 C ATOM 337 CD1 ILE A 38 -0.217 23.415 15.618 1.00 50.32 C ATOM 338 H ILE A 38 2.689 21.786 17.342 1.00 0.00 H ATOM 339 N GLY A 39 1.585 17.766 16.436 1.00 55.71 N ATOM 340 CA GLY A 39 2.214 16.559 15.920 1.00 53.31 C ATOM 341 C GLY A 39 2.883 15.736 17.009 1.00 53.27 C ATOM 342 O GLY A 39 2.949 16.156 18.164 1.00 55.45 O ATOM 343 H GLY A 39 0.704 17.681 16.982 1.00 0.00 H ATOM 344 N LYS A 40 3.380 14.559 16.634 1.00 59.05 N ATOM 345 CA LYS A 40 3.968 13.614 17.586 1.00 53.17 C ATOM 346 C LYS A 40 5.276 14.113 18.199 1.00 49.40 C ATOM 347 O LYS A 40 6.172 14.571 17.490 1.00 52.09 O ATOM 348 CB LYS A 40 4.209 12.265 16.903 1.00 47.79 C ATOM 349 H LYS A 40 3.349 14.301 15.627 1.00 0.00 H ATOM 350 N SER A 41 5.372 14.019 19.524 1.00 46.59 N ATOM 351 CA SER A 41 6.555 14.458 20.257 1.00 49.01 C ATOM 352 C SER A 41 6.504 13.972 21.705 1.00 50.59 C ATOM 353 O SER A 41 5.487 13.448 22.148 1.00 51.47 O ATOM 354 CB SER A 41 6.671 15.981 20.219 1.00 56.01 C ATOM 355 OG SER A 41 7.560 16.450 21.217 1.00 61.41 O ATOM 356 HG SER A 41 7.616 17.437 21.170 1.00 0.00 H ATOM 357 H SER A 41 4.574 13.618 20.056 1.00 0.00 H ATOM 358 N VAL A 42 7.595 14.153 22.445 1.00 55.97 N ATOM 359 CA VAL A 42 7.627 13.775 23.858 1.00 56.74 C ATOM 360 C VAL A 42 6.631 14.598 24.667 1.00 54.32 C ATOM 361 O VAL A 42 6.109 14.127 25.677 1.00 59.16 O ATOM 362 CB VAL A 42 9.059 13.922 24.452 1.00 63.13 C ATOM 363 CG1 VAL A 42 9.047 14.004 25.984 1.00 68.83 C ATOM 364 CG2 VAL A 42 9.961 12.801 23.954 1.00 70.83 C ATOM 365 H VAL A 42 8.442 14.572 22.010 1.00 0.00 H ATOM 366 N THR A 43 6.369 15.821 24.222 1.00 54.99 N ATOM 367 CA THR A 43 5.398 16.683 24.888 1.00 56.06 C ATOM 368 C THR A 43 4.017 16.574 24.231 1.00 52.49 C ATOM 369 O THR A 43 3.066 17.229 24.657 1.00 58.15 O ATOM 370 CB THR A 43 5.866 18.149 24.885 1.00 54.49 C ATOM 371 OG1 THR A 43 6.259 18.532 23.561 1.00 52.65 O ATOM 372 CG2 THR A 43 7.045 18.321 25.830 1.00 53.06 C ATOM 373 HG1 THR A 43 6.559 19.476 23.567 1.00 0.00 H ATOM 374 H THR A 43 6.867 16.173 23.380 1.00 0.00 H ATOM 375 N ASN A 44 3.917 15.744 23.194 1.00 53.38 N ATOM 376 CA ASN A 44 2.641 15.440 22.547 1.00 47.86 C ATOM 377 C ASN A 44 2.663 14.012 21.998 1.00 49.71 C ATOM 378 O ASN A 44 2.704 13.811 20.783 1.00 49.91 O ATOM 379 CB ASN A 44 2.348 16.442 21.427 1.00 47.59 C ATOM 380 CG ASN A 44 0.934 16.321 20.885 1.00 51.71 C ATOM 381 OD1 ASN A 44 0.125 15.540 21.389 1.00 51.25 O ATOM 382 ND2 ASN A 44 0.631 17.096 19.851 1.00 50.91 N ATOM 383 HD22 ASN A 44 1.346 17.741 19.457 1.00 0.00 H ATOM 384 HD21 ASN A 44 -0.321 17.058 19.434 1.00 0.00 H ATOM 385 H ASN A 44 4.781 15.294 22.830 1.00 0.00 H ATOM 386 N PRO A 45 2.639 13.014 22.899 1.00 52.89 N ATOM 387 CA PRO A 45 2.902 11.603 22.575 1.00 50.20 C ATOM 388 C PRO A 45 2.131 11.030 21.380 1.00 54.29 C ATOM 389 O PRO A 45 2.767 10.497 20.472 1.00 62.48 O ATOM 390 CB PRO A 45 2.495 10.879 23.862 1.00 53.61 C ATOM 391 CG PRO A 45 2.706 11.882 24.931 1.00 49.60 C ATOM 392 CD PRO A 45 2.323 13.192 24.328 1.00 51.94 C ATOM 393 N ASP A 46 0.806 11.141 21.371 1.00 56.80 N ATOM 394 CA ASP A 46 0.005 10.555 20.295 1.00 56.02 C ATOM 395 C ASP A 46 -0.155 11.514 19.112 1.00 59.55 C ATOM 396 O ASP A 46 -0.694 11.142 18.069 1.00 60.95 O ATOM 397 CB ASP A 46 -1.369 10.112 20.820 1.00 61.86 C ATOM 398 CG ASP A 46 -2.151 11.238 21.482 1.00 67.03 C ATOM 399 OD1 ASP A 46 -2.010 12.409 21.072 1.00 66.36 O ATOM 400 OD2 ASP A 46 -2.926 10.942 22.417 1.00 68.61 O ATOM 401 H ASP A 46 0.331 11.653 22.142 1.00 0.00 H ATOM 402 N GLY A 47 0.319 12.745 19.279 1.00 56.77 N ATOM 403 CA GLY A 47 0.281 13.729 18.211 1.00 57.53 C ATOM 404 C GLY A 47 -1.077 14.366 17.981 1.00 50.31 C ATOM 405 O GLY A 47 -1.273 15.052 16.979 1.00 51.40 O ATOM 406 H GLY A 47 0.727 13.010 20.198 1.00 0.00 H ATOM 407 N SER A 48 -2.011 14.136 18.901 1.00 54.92 N ATOM 408 CA SER A 48 -3.348 14.724 18.816 1.00 55.15 C ATOM 409 C SER A 48 -3.615 15.665 19.992 1.00 50.27 C ATOM 410 O SER A 48 -4.714 16.205 20.125 1.00 54.57 O ATOM 411 CB SER A 48 -4.416 13.629 18.773 1.00 58.51 C ATOM 412 OG SER A 48 -4.515 12.967 20.020 1.00 65.84 O ATOM 413 HG SER A 48 -3.644 12.553 20.242 1.00 0.00 H ATOM 414 H SER A 48 -1.783 13.518 19.706 1.00 0.00 H ATOM 415 N GLY A 49 -2.608 15.852 20.841 1.00 54.32 N ATOM 416 CA GLY A 49 -2.687 16.795 21.943 1.00 47.13 C ATOM 417 C GLY A 49 -2.990 16.159 23.287 1.00 46.40 C ATOM 418 O GLY A 49 -3.444 15.017 23.361 1.00 47.65 O ATOM 419 H GLY A 49 -1.734 15.304 20.711 1.00 0.00 H ATOM 420 N ILE A 50 -2.718 16.910 24.352 1.00 44.08 N ATOM 421 CA ILE A 50 -3.023 16.485 25.715 1.00 44.25 C ATOM 422 C ILE A 50 -4.425 16.966 26.076 1.00 47.27 C ATOM 423 O ILE A 50 -4.659 18.169 26.184 1.00 46.57 O ATOM 424 CB ILE A 50 -2.006 17.051 26.728 1.00 44.47 C ATOM 425 CG1 ILE A 50 -0.569 16.741 26.293 1.00 52.99 C ATOM 426 CG2 ILE A 50 -2.289 16.525 28.132 1.00 47.82 C ATOM 427 CD1 ILE A 50 -0.291 15.274 26.040 1.00 54.73 C ATOM 428 H ILE A 50 -2.270 17.837 24.207 1.00 0.00 H ATOM 429 N LYS A 51 -5.344 16.025 26.278 1.00 50.38 N ATOM 430 CA LYS A 51 -6.767 16.346 26.405 1.00 49.18 C ATOM 431 C LYS A 51 -7.315 16.143 27.816 1.00 44.51 C ATOM 432 O LYS A 51 -7.204 15.058 28.385 1.00 44.40 O ATOM 433 CB LYS A 51 -7.575 15.494 25.424 1.00 41.44 C ATOM 434 CG LYS A 51 -7.033 15.515 24.006 1.00 50.80 C ATOM 435 CD LYS A 51 -7.805 14.580 23.100 1.00 56.29 C ATOM 436 CE LYS A 51 -7.367 14.731 21.654 1.00 61.72 C ATOM 437 NZ LYS A 51 -8.124 15.802 20.951 1.00 62.91 N ATOM 438 HZ1 LYS A 51 -9.138 15.572 20.961 1.00 0.00 H ATOM 439 HZ2 LYS A 51 -7.968 16.709 21.435 1.00 0.00 H ATOM 440 HZ3 LYS A 51 -7.793 15.870 19.968 1.00 0.00 H ATOM 441 H LYS A 51 -5.043 15.032 26.348 1.00 0.00 H ATOM 442 N GLY A 52 -7.865 17.194 28.377 1.00 42.43 N ATOM 443 CA GLY A 52 -8.423 17.123 29.693 1.00 47.99 C ATOM 444 C GLY A 52 -7.607 17.785 30.736 1.00 47.37 C ATOM 445 O GLY A 52 -6.432 17.922 30.605 1.00 55.03 O ATOM 446 H GLY A 52 -7.896 18.094 27.857 1.00 0.00 H ATOM 447 N LYS A 53 -8.257 18.183 31.798 1.00 50.53 N ATOM 448 CA LYS A 53 -7.587 18.853 32.878 1.00 49.30 C ATOM 449 C LYS A 53 -6.738 17.926 33.700 1.00 51.60 C ATOM 450 O LYS A 53 -5.832 18.364 34.359 1.00 62.37 O ATOM 451 CB LYS A 53 -8.597 19.530 33.779 1.00 54.41 C ATOM 452 CG LYS A 53 -8.931 20.954 33.406 1.00 51.26 C ATOM 453 CD LYS A 53 -9.044 21.826 34.619 1.00 51.46 C ATOM 454 CE LYS A 53 -10.023 22.936 34.433 1.00 51.01 C ATOM 455 NZ LYS A 53 -10.336 23.547 35.736 1.00 55.80 N ATOM 456 HZ1 LYS A 53 -10.746 22.828 36.365 1.00 0.00 H ATOM 457 HZ2 LYS A 53 -9.464 23.924 36.159 1.00 0.00 H ATOM 458 HZ3 LYS A 53 -11.019 24.320 35.600 1.00 0.00 H ATOM 459 H LYS A 53 -9.281 18.011 31.863 1.00 0.00 H ATOM 460 N GLU A 54 -7.034 16.648 33.684 1.00 52.65 N ATOM 461 CA GLU A 54 -6.270 15.704 34.458 1.00 54.20 C ATOM 462 C GLU A 54 -4.976 15.438 33.772 1.00 55.60 C ATOM 463 O GLU A 54 -3.932 15.425 34.367 1.00 51.91 O ATOM 464 CB GLU A 54 -7.021 14.406 34.600 1.00 59.86 C ATOM 465 CG GLU A 54 -6.674 13.636 35.844 1.00 60.67 C ATOM 466 CD GLU A 54 -6.652 12.151 35.613 1.00 78.50 C ATOM 467 OE1 GLU A 54 -7.602 11.469 36.028 1.00 81.12 O ATOM 468 OE2 GLU A 54 -5.678 11.659 35.026 1.00 86.37 O ATOM 469 H GLU A 54 -7.830 16.312 33.105 1.00 0.00 H ATOM 470 N ALA A 55 -5.073 15.218 32.490 1.00 51.82 N ATOM 471 CA ALA A 55 -3.919 14.946 31.685 1.00 49.22 C ATOM 472 C ALA A 55 -3.018 16.140 31.514 1.00 50.82 C ATOM 473 O ALA A 55 -1.862 15.957 31.236 1.00 52.43 O ATOM 474 CB ALA A 55 -4.313 14.387 30.343 1.00 43.36 C ATOM 475 H ALA A 55 -6.011 15.241 32.041 1.00 0.00 H ATOM 476 N VAL A 56 -3.527 17.351 31.671 1.00 48.98 N ATOM 477 CA VAL A 56 -2.676 18.516 31.564 1.00 51.77 C ATOM 478 C VAL A 56 -2.055 18.773 32.901 1.00 47.69 C ATOM 479 O VAL A 56 -1.059 19.414 32.989 1.00 48.50 O ATOM 480 CB VAL A 56 -3.371 19.773 31.043 1.00 51.66 C ATOM 481 CG1 VAL A 56 -4.140 19.479 29.793 1.00 47.95 C ATOM 482 CG2 VAL A 56 -4.263 20.374 32.071 1.00 56.90 C ATOM 483 H VAL A 56 -4.541 17.466 31.872 1.00 0.00 H ATOM 484 N GLY A 57 -2.656 18.247 33.944 1.00 51.15 N ATOM 485 CA GLY A 57 -2.115 18.374 35.260 1.00 52.52 C ATOM 486 C GLY A 57 -0.922 17.474 35.298 1.00 55.02 C ATOM 487 O GLY A 57 0.106 17.816 35.817 1.00 58.86 O ATOM 488 H GLY A 57 -3.546 17.726 33.809 1.00 0.00 H ATOM 489 N ALA A 58 -1.059 16.305 34.720 1.00 51.34 N ATOM 490 CA ALA A 58 0.062 15.377 34.688 1.00 56.20 C ATOM 491 C ALA A 58 1.184 15.976 33.850 1.00 53.75 C ATOM 492 O ALA A 58 2.358 15.871 34.202 1.00 58.95 O ATOM 493 CB ALA A 58 -0.372 14.029 34.126 1.00 49.44 C ATOM 494 H ALA A 58 -1.966 16.041 34.285 1.00 0.00 H ATOM 495 N PHE A 59 0.806 16.601 32.738 1.00 47.81 N ATOM 496 CA PHE A 59 1.760 17.262 31.853 1.00 48.45 C ATOM 497 C PHE A 59 2.553 18.327 32.600 1.00 53.10 C ATOM 498 O PHE A 59 3.762 18.454 32.415 1.00 58.44 O ATOM 499 CB PHE A 59 1.035 17.880 30.656 1.00 51.93 C ATOM 500 CG PHE A 59 1.918 18.708 29.771 1.00 50.57 C ATOM 501 CD1 PHE A 59 2.745 18.108 28.840 1.00 56.64 C ATOM 502 CD2 PHE A 59 1.911 20.090 29.863 1.00 56.10 C ATOM 503 CE1 PHE A 59 3.558 18.870 28.021 1.00 60.18 C ATOM 504 CE2 PHE A 59 2.720 20.858 29.047 1.00 55.66 C ATOM 505 CZ PHE A 59 3.544 20.247 28.125 1.00 55.23 C ATOM 506 H PHE A 59 -0.204 16.619 32.491 1.00 0.00 H ATOM 507 N TRP A 60 1.862 19.092 33.440 1.00 55.04 N ATOM 508 CA TRP A 60 2.504 20.117 34.255 1.00 55.75 C ATOM 509 C TRP A 60 3.539 19.478 35.171 1.00 60.31 C ATOM 510 O TRP A 60 4.677 19.941 35.262 1.00 58.41 O ATOM 511 CB TRP A 60 1.462 20.877 35.081 1.00 54.33 C ATOM 512 CG TRP A 60 2.036 21.744 36.170 1.00 52.74 C ATOM 513 CD1 TRP A 60 2.446 21.343 37.410 1.00 52.36 C ATOM 514 CD2 TRP A 60 2.241 23.163 36.122 1.00 55.03 C ATOM 515 NE1 TRP A 60 2.901 22.420 38.131 1.00 51.25 N ATOM 516 CE2 TRP A 60 2.785 23.548 37.364 1.00 51.13 C ATOM 517 CE3 TRP A 60 2.022 24.143 35.149 1.00 48.82 C ATOM 518 CZ2 TRP A 60 3.113 24.870 37.657 1.00 49.12 C ATOM 519 CZ3 TRP A 60 2.349 25.456 35.443 1.00 47.16 C ATOM 520 CH2 TRP A 60 2.887 25.806 36.686 1.00 49.13 C ATOM 521 HE1 TRP A 60 3.273 22.384 39.102 1.00 0.00 H ATOM 522 H TRP A 60 0.834 18.955 33.518 1.00 0.00 H ATOM 523 N ASP A 61 3.130 18.410 35.848 1.00 56.80 N ATOM 524 CA ASP A 61 4.004 17.707 36.776 1.00 56.49 C ATOM 525 C ASP A 61 5.234 17.161 36.056 1.00 56.71 C ATOM 526 O ASP A 61 6.357 17.285 36.544 1.00 63.44 O ATOM 527 CB ASP A 61 3.245 16.567 37.459 1.00 53.85 C ATOM 528 CG ASP A 61 2.004 17.047 38.189 1.00 58.60 C ATOM 529 OD1 ASP A 61 2.005 18.191 38.690 1.00 59.52 O ATOM 530 OD2 ASP A 61 1.024 16.275 38.266 1.00 63.95 O ATOM 531 H ASP A 61 2.158 18.067 35.711 1.00 0.00 H ATOM 532 N THR A 62 5.012 16.556 34.894 1.00 50.22 N ATOM 533 CA THR A 62 6.082 15.900 34.152 1.00 56.75 C ATOM 534 C THR A 62 7.062 16.865 33.478 1.00 60.53 C ATOM 535 O THR A 62 8.257 16.577 33.408 1.00 64.64 O ATOM 536 CB THR A 62 5.500 14.968 33.066 1.00 58.80 C ATOM 537 OG1 THR A 62 4.581 14.045 33.662 1.00 57.59 O ATOM 538 CG2 THR A 62 6.606 14.185 32.365 1.00 61.46 C ATOM 539 HG1 THR A 62 3.844 14.547 34.093 1.00 0.00 H ATOM 540 H THR A 62 4.048 16.550 34.503 1.00 0.00 H ATOM 541 N HIS A 63 6.569 18.006 32.998 1.00 60.92 N ATOM 542 CA HIS A 63 7.356 18.853 32.096 1.00 60.48 C ATOM 543 C HIS A 63 7.549 20.311 32.522 1.00 56.66 C ATOM 544 O HIS A 63 8.377 21.007 31.936 1.00 59.37 O ATOM 545 CB HIS A 63 6.715 18.839 30.706 1.00 62.41 C ATOM 546 CG HIS A 63 6.843 17.528 29.995 1.00 59.85 C ATOM 547 ND1 HIS A 63 8.033 17.091 29.453 1.00 67.88 N ATOM 548 CD2 HIS A 63 5.933 16.561 29.735 1.00 61.07 C ATOM 549 CE1 HIS A 63 7.849 15.910 28.890 1.00 70.95 C ATOM 550 NE2 HIS A 63 6.585 15.565 29.048 1.00 67.26 N ATOM 551 H HIS A 63 5.609 18.301 33.268 1.00 0.00 H ATOM 552 N ILE A 64 6.792 20.782 33.510 1.00 59.24 N ATOM 553 CA ILE A 64 6.847 22.193 33.902 1.00 58.27 C ATOM 554 C ILE A 64 7.297 22.393 35.346 1.00 61.06 C ATOM 555 O ILE A 64 8.186 23.202 35.612 1.00 57.53 O ATOM 556 CB ILE A 64 5.478 22.885 33.713 1.00 54.09 C ATOM 557 CG1 ILE A 64 5.022 22.742 32.257 1.00 55.36 C ATOM 558 CG2 ILE A 64 5.568 24.362 34.105 1.00 50.78 C ATOM 559 CD1 ILE A 64 3.715 23.452 31.921 1.00 55.25 C ATOM 560 H ILE A 64 6.150 20.137 34.013 1.00 0.00 H ATOM 561 N ALA A 65 6.671 21.665 36.267 1.00 59.94 N ATOM 562 CA ALA A 65 6.875 21.869 37.701 1.00 62.86 C ATOM 563 C ALA A 65 8.348 21.965 38.099 1.00 66.81 C ATOM 564 O ALA A 65 8.776 22.976 38.657 1.00 69.05 O ATOM 565 CB ALA A 65 6.205 20.752 38.481 1.00 62.72 C ATOM 566 H ALA A 65 6.012 20.923 35.956 1.00 0.00 H ATOM 567 N ASP A 66 9.116 20.920 37.804 1.00 62.05 N ATOM 568 CA ASP A 66 10.512 20.851 38.227 1.00 66.44 C ATOM 569 C ASP A 66 11.474 21.102 37.070 1.00 67.22 C ATOM 570 O ASP A 66 12.621 20.654 37.107 1.00 72.87 O ATOM 571 CB ASP A 66 10.806 19.482 38.846 1.00 73.68 C ATOM 572 CG ASP A 66 9.798 19.092 39.909 1.00 71.36 C ATOM 573 OD1 ASP A 66 9.760 19.749 40.970 1.00 78.03 O ATOM 574 OD2 ASP A 66 9.044 18.123 39.681 1.00 65.26 O ATOM 575 H ASP A 66 8.712 20.132 37.258 1.00 0.00 H ATOM 576 N ASP A 67 11.011 21.824 36.053 1.00 64.71 N ATOM 577 CA ASP A 67 11.817 22.084 34.861 1.00 61.55 C ATOM 578 C ASP A 67 12.060 23.575 34.634 1.00 60.89 C ATOM 579 O ASP A 67 12.593 23.968 33.597 1.00 64.50 O ATOM 580 CB ASP A 67 11.155 21.466 33.625 1.00 67.74 C ATOM 581 CG ASP A 67 11.273 19.950 33.595 1.00 74.04 C ATOM 582 OD1 ASP A 67 11.634 19.354 34.632 1.00 72.22 O ATOM 583 OD2 ASP A 67 11.008 19.354 32.530 1.00 76.21 O ATOM 584 H ASP A 67 10.049 22.215 36.107 1.00 0.00 H ATOM 585 N ARG A 68 11.674 24.395 35.607 1.00 60.29 N ATOM 586 CA ARG A 68 11.940 25.831 35.570 1.00 62.77 C ATOM 587 C ARG A 68 11.501 26.485 34.262 1.00 64.94 C ATOM 588 O ARG A 68 12.221 27.305 33.692 1.00 64.92 O ATOM 589 CB ARG A 68 13.435 26.073 35.791 1.00 64.12 C ATOM 590 CG ARG A 68 13.792 27.485 36.224 1.00 76.97 C ATOM 591 CD ARG A 68 15.088 27.500 37.018 1.00 79.58 C ATOM 592 NE ARG A 68 14.984 26.680 38.222 1.00 82.33 N ATOM 593 CZ ARG A 68 15.972 26.488 39.090 1.00 83.67 C ATOM 594 NH1 ARG A 68 17.154 27.058 38.898 1.00 91.99 N ATOM 595 NH2 ARG A 68 15.774 25.723 40.154 1.00 78.99 N ATOM 596 HE ARG A 68 14.074 26.214 38.413 1.00 0.00 H ATOM 597 HH12 ARG A 68 17.923 26.904 39.581 1.00 0.00 H ATOM 598 HH11 ARG A 68 17.312 27.659 38.064 1.00 0.00 H ATOM 599 HH22 ARG A 68 16.545 25.570 40.835 1.00 0.00 H ATOM 600 HH21 ARG A 68 14.848 25.275 40.307 1.00 0.00 H ATOM 601 H ARG A 68 11.165 24.000 36.423 1.00 0.00 H ATOM 602 N VAL A 69 10.313 26.122 33.790 1.00 66.75 N ATOM 603 CA VAL A 69 9.820 26.631 32.517 1.00 61.97 C ATOM 604 C VAL A 69 9.441 28.103 32.627 1.00 56.65 C ATOM 605 O VAL A 69 8.725 28.506 33.543 1.00 59.04 O ATOM 606 CB VAL A 69 8.604 25.826 32.020 1.00 58.43 C ATOM 607 CG1 VAL A 69 8.089 26.382 30.695 1.00 54.00 C ATOM 608 CG2 VAL A 69 8.969 24.357 31.874 1.00 54.23 C ATOM 609 H VAL A 69 9.725 25.463 34.339 1.00 0.00 H ATOM 610 N THR A 70 9.941 28.897 31.686 1.00 56.38 N ATOM 611 CA THR A 70 9.588 30.308 31.586 1.00 59.46 C ATOM 612 C THR A 70 9.291 30.662 30.137 1.00 57.42 C ATOM 613 O THR A 70 10.075 30.348 29.240 1.00 60.40 O ATOM 614 CB THR A 70 10.710 31.223 32.113 1.00 58.54 C ATOM 615 OG1 THR A 70 11.858 31.123 31.260 1.00 59.17 O ATOM 616 CG2 THR A 70 11.097 30.837 33.536 1.00 60.75 C ATOM 617 HG1 THR A 70 11.611 31.401 30.343 1.00 0.00 H ATOM 618 H THR A 70 10.608 28.497 30.996 1.00 0.00 H ATOM 619 N VAL A 71 8.153 31.310 29.915 1.00 55.14 N ATOM 620 CA VAL A 71 7.746 31.723 28.579 1.00 55.06 C ATOM 621 C VAL A 71 7.835 33.240 28.445 1.00 57.38 C ATOM 622 O VAL A 71 7.400 33.976 29.330 1.00 60.97 O ATOM 623 CB VAL A 71 6.314 31.255 28.263 1.00 60.86 C ATOM 624 CG1 VAL A 71 5.975 31.516 26.812 1.00 61.04 C ATOM 625 CG2 VAL A 71 6.149 29.772 28.590 1.00 54.73 C ATOM 626 H VAL A 71 7.533 31.529 30.721 1.00 0.00 H ATOM 627 N THR A 72 8.408 33.693 27.333 1.00 54.12 N ATOM 628 CA THR A 72 8.576 35.115 27.055 1.00 50.39 C ATOM 629 C THR A 72 7.914 35.486 25.733 1.00 51.81 C ATOM 630 O THR A 72 8.153 34.850 24.707 1.00 51.36 O ATOM 631 CB THR A 72 10.070 35.503 27.013 1.00 54.55 C ATOM 632 OG1 THR A 72 10.654 35.289 28.302 1.00 58.56 O ATOM 633 CG2 THR A 72 10.252 36.966 26.619 1.00 52.16 C ATOM 634 HG1 THR A 72 11.612 35.538 28.274 1.00 0.00 H ATOM 635 H THR A 72 8.750 33.005 26.633 1.00 0.00 H ATOM 636 N CYS A 73 7.084 36.524 25.767 1.00 53.68 N ATOM 637 CA CYS A 73 6.399 36.999 24.572 1.00 53.12 C ATOM 638 C CYS A 73 7.284 37.945 23.770 1.00 50.21 C ATOM 639 O CYS A 73 7.822 38.911 24.308 1.00 56.55 O ATOM 640 CB CYS A 73 5.088 37.695 24.949 1.00 53.71 C ATOM 641 SG CYS A 73 4.139 38.300 23.533 1.00 65.38 S ATOM 642 H CYS A 73 6.919 37.010 26.671 1.00 0.00 H ATOM 643 N GLU A 74 7.430 37.652 22.482 1.00 49.62 N ATOM 644 CA GLU A 74 8.240 38.467 21.585 1.00 50.36 C ATOM 645 C GLU A 74 7.363 39.388 20.747 1.00 52.46 C ATOM 646 O GLU A 74 7.721 40.539 20.491 1.00 52.64 O ATOM 647 CB GLU A 74 9.083 37.575 20.670 1.00 54.49 C ATOM 648 CG GLU A 74 9.840 38.334 19.586 1.00 57.69 C ATOM 649 CD GLU A 74 10.665 37.420 18.703 1.00 60.97 C ATOM 650 OE1 GLU A 74 11.553 36.720 19.236 1.00 58.79 O ATOM 651 OE2 GLU A 74 10.416 37.392 17.478 1.00 58.36 O ATOM 652 H GLU A 74 6.950 36.812 22.101 1.00 0.00 H ATOM 653 N GLU A 75 6.215 38.876 20.322 1.00 54.72 N ATOM 654 CA GLU A 75 5.296 39.647 19.497 1.00 51.22 C ATOM 655 C GLU A 75 3.892 39.060 19.567 1.00 51.95 C ATOM 656 O GLU A 75 3.722 37.840 19.572 1.00 53.71 O ATOM 657 CB GLU A 75 5.787 39.685 18.051 1.00 50.34 C ATOM 658 CG GLU A 75 5.125 40.756 17.213 1.00 58.92 C ATOM 659 CD GLU A 75 5.667 40.814 15.800 1.00 61.88 C ATOM 660 OE1 GLU A 75 6.651 40.102 15.505 1.00 56.64 O ATOM 661 OE2 GLU A 75 5.114 41.582 14.987 1.00 60.21 O ATOM 662 H GLU A 75 5.966 37.901 20.584 1.00 0.00 H ATOM 663 N THR A 76 2.894 39.938 19.617 1.00 49.49 N ATOM 664 CA THR A 76 1.498 39.529 19.731 1.00 42.72 C ATOM 665 C THR A 76 0.736 39.802 18.437 1.00 46.68 C ATOM 666 O THR A 76 0.881 40.866 17.834 1.00 51.97 O ATOM 667 CB THR A 76 0.808 40.251 20.906 1.00 49.24 C ATOM 668 OG1 THR A 76 1.465 39.904 22.131 1.00 49.85 O ATOM 669 CG2 THR A 76 -0.671 39.877 20.998 1.00 54.60 C ATOM 670 HG1 THR A 76 1.411 38.925 22.267 1.00 0.00 H ATOM 671 H THR A 76 3.117 40.953 19.573 1.00 0.00 H ATOM 672 N PHE A 77 -0.063 38.824 18.016 1.00 49.58 N ATOM 673 CA PHE A 77 -0.897 38.942 16.821 1.00 48.56 C ATOM 674 C PHE A 77 -2.376 38.723 17.138 1.00 47.72 C ATOM 675 O PHE A 77 -2.852 37.588 17.133 1.00 46.91 O ATOM 676 CB PHE A 77 -0.448 37.944 15.755 1.00 49.32 C ATOM 677 CG PHE A 77 0.888 38.264 15.156 1.00 47.64 C ATOM 678 CD1 PHE A 77 0.976 39.020 14.000 1.00 51.27 C ATOM 679 CD2 PHE A 77 2.055 37.817 15.750 1.00 48.43 C ATOM 680 CE1 PHE A 77 2.202 39.321 13.443 1.00 54.15 C ATOM 681 CE2 PHE A 77 3.285 38.113 15.198 1.00 52.21 C ATOM 682 CZ PHE A 77 3.359 38.867 14.043 1.00 53.62 C ATOM 683 H PHE A 77 -0.095 37.938 18.560 1.00 0.00 H ATOM 684 N PRO A 78 -3.108 39.811 17.422 1.00 50.39 N ATOM 685 CA PRO A 78 -4.555 39.702 17.639 1.00 47.20 C ATOM 686 C PRO A 78 -5.294 39.299 16.370 1.00 43.71 C ATOM 687 O PRO A 78 -4.777 39.511 15.276 1.00 46.55 O ATOM 688 CB PRO A 78 -4.960 41.121 18.068 1.00 49.92 C ATOM 689 CG PRO A 78 -3.688 41.785 18.490 1.00 44.00 C ATOM 690 CD PRO A 78 -2.627 41.187 17.628 1.00 47.65 C ATOM 691 N SER A 79 -6.479 38.715 16.520 1.00 44.17 N ATOM 692 CA SER A 79 -7.352 38.442 15.385 1.00 48.17 C ATOM 693 C SER A 79 -8.518 39.417 15.426 1.00 44.72 C ATOM 694 O SER A 79 -8.500 40.374 16.198 1.00 49.29 O ATOM 695 CB SER A 79 -7.859 36.998 15.414 1.00 48.99 C ATOM 696 OG SER A 79 -8.798 36.801 16.458 1.00 46.72 O ATOM 697 HG SER A 79 -8.370 37.002 17.328 1.00 0.00 H ATOM 698 H SER A 79 -6.792 38.445 17.474 1.00 0.00 H ATOM 699 N SER A 80 -9.534 39.170 14.606 1.00 50.97 N ATOM 700 CA SER A 80 -10.747 39.981 14.632 1.00 48.83 C ATOM 701 C SER A 80 -11.780 39.325 15.549 1.00 47.50 C ATOM 702 O SER A 80 -12.956 39.686 15.541 1.00 51.14 O ATOM 703 CB SER A 80 -11.309 40.166 13.222 1.00 50.53 C ATOM 704 OG SER A 80 -10.413 40.920 12.425 1.00 54.77 O ATOM 705 HG SER A 80 -10.793 41.030 11.517 1.00 0.00 H ATOM 706 H SER A 80 -9.463 38.382 13.931 1.00 0.00 H ATOM 707 N SER A 81 -11.323 38.343 16.322 1.00 51.00 N ATOM 708 CA SER A 81 -12.134 37.701 17.347 1.00 46.17 C ATOM 709 C SER A 81 -11.489 37.903 18.718 1.00 49.30 C ATOM 710 O SER A 81 -10.277 37.726 18.859 1.00 50.91 O ATOM 711 CB SER A 81 -12.292 36.211 17.055 1.00 42.21 C ATOM 712 OG SER A 81 -12.704 35.516 18.219 1.00 43.41 O ATOM 713 HG SER A 81 -12.801 34.553 18.010 1.00 0.00 H ATOM 714 H SER A 81 -10.344 38.020 16.188 1.00 0.00 H ATOM 715 N PRO A 82 -12.284 38.275 19.737 1.00 53.39 N ATOM 716 CA PRO A 82 -11.663 38.468 21.052 1.00 49.88 C ATOM 717 C PRO A 82 -11.310 37.153 21.741 1.00 47.97 C ATOM 718 O PRO A 82 -10.699 37.180 22.810 1.00 44.48 O ATOM 719 CB PRO A 82 -12.746 39.210 21.853 1.00 45.95 C ATOM 720 CG PRO A 82 -13.763 39.651 20.853 1.00 48.96 C ATOM 721 CD PRO A 82 -13.707 38.655 19.753 1.00 47.48 C ATOM 722 N ASP A 83 -11.678 36.028 21.131 1.00 43.61 N ATOM 723 CA ASP A 83 -11.489 34.714 21.742 1.00 45.70 C ATOM 724 C ASP A 83 -10.305 33.936 21.170 1.00 47.10 C ATOM 725 O ASP A 83 -9.985 32.852 21.659 1.00 45.26 O ATOM 726 CB ASP A 83 -12.762 33.875 21.587 1.00 46.73 C ATOM 727 CG ASP A 83 -13.902 34.371 22.460 1.00 46.76 C ATOM 728 OD1 ASP A 83 -13.659 35.205 23.357 1.00 50.26 O ATOM 729 OD2 ASP A 83 -15.045 33.916 22.254 1.00 52.34 O ATOM 730 H ASP A 83 -12.114 36.086 20.189 1.00 0.00 H ATOM 731 N GLU A 84 -9.661 34.476 20.138 1.00 42.31 N ATOM 732 CA GLU A 84 -8.512 33.810 19.528 1.00 42.70 C ATOM 733 C GLU A 84 -7.361 34.783 19.323 1.00 47.92 C ATOM 734 O GLU A 84 -7.559 35.920 18.893 1.00 48.28 O ATOM 735 CB GLU A 84 -8.902 33.174 18.194 1.00 41.92 C ATOM 736 CG GLU A 84 -10.013 32.146 18.314 1.00 43.31 C ATOM 737 CD GLU A 84 -10.003 31.132 17.187 1.00 48.99 C ATOM 738 OE1 GLU A 84 -8.931 30.557 16.904 1.00 53.39 O ATOM 739 OE2 GLU A 84 -11.071 30.912 16.580 1.00 55.49 O ATOM 740 H GLU A 84 -9.982 35.390 19.758 1.00 0.00 H ATOM 741 N ILE A 85 -6.154 34.325 19.637 1.00 42.96 N ATOM 742 CA ILE A 85 -4.973 35.169 19.543 1.00 47.71 C ATOM 743 C ILE A 85 -3.733 34.332 19.240 1.00 44.01 C ATOM 744 O ILE A 85 -3.721 33.121 19.464 1.00 44.22 O ATOM 745 CB ILE A 85 -4.779 35.980 20.845 1.00 43.87 C ATOM 746 CG1 ILE A 85 -3.849 37.168 20.606 1.00 48.30 C ATOM 747 CG2 ILE A 85 -4.267 35.091 21.978 1.00 47.22 C ATOM 748 CD1 ILE A 85 -3.901 38.199 21.710 1.00 48.81 C ATOM 749 H ILE A 85 -6.051 33.341 19.957 1.00 0.00 H ATOM 750 N ALA A 86 -2.697 34.988 18.727 1.00 48.05 N ATOM 751 CA ALA A 86 -1.439 34.323 18.409 1.00 41.96 C ATOM 752 C ALA A 86 -0.255 35.096 18.980 1.00 43.38 C ATOM 753 O ALA A 86 -0.259 36.326 19.010 1.00 47.30 O ATOM 754 CB ALA A 86 -1.292 34.169 16.903 1.00 40.81 C ATOM 755 H ALA A 86 -2.787 36.008 18.547 1.00 0.00 H ATOM 756 N HIS A 87 0.758 34.358 19.422 1.00 48.11 N ATOM 757 CA HIS A 87 1.959 34.947 20.003 1.00 46.93 C ATOM 758 C HIS A 87 3.212 34.323 19.407 1.00 43.49 C ATOM 759 O HIS A 87 3.225 33.139 19.072 1.00 44.99 O ATOM 760 CB HIS A 87 1.987 34.748 21.521 1.00 50.61 C ATOM 761 CG HIS A 87 0.961 35.547 22.263 1.00 51.78 C ATOM 762 ND1 HIS A 87 1.151 36.864 22.606 1.00 57.04 N ATOM 763 CD2 HIS A 87 -0.252 35.196 22.755 1.00 51.90 C ATOM 764 CE1 HIS A 87 0.088 37.303 23.265 1.00 56.40 C ATOM 765 NE2 HIS A 87 -0.773 36.311 23.367 1.00 57.66 N ATOM 766 H HIS A 87 0.692 33.323 19.351 1.00 0.00 H ATOM 767 N ILE A 88 4.266 35.123 19.291 1.00 49.49 N ATOM 768 CA ILE A 88 5.600 34.592 19.062 1.00 44.75 C ATOM 769 C ILE A 88 6.232 34.463 20.437 1.00 46.46 C ATOM 770 O ILE A 88 6.488 35.470 21.101 1.00 43.41 O ATOM 771 CB ILE A 88 6.464 35.498 18.165 1.00 50.83 C ATOM 772 CG1 ILE A 88 5.742 35.826 16.854 1.00 54.53 C ATOM 773 CG2 ILE A 88 7.824 34.850 17.907 1.00 48.42 C ATOM 774 CD1 ILE A 88 5.378 34.623 16.029 1.00 59.48 C ATOM 775 H ILE A 88 4.134 36.152 19.366 1.00 0.00 H ATOM 776 N LEU A 89 6.449 33.226 20.875 1.00 43.00 N ATOM 777 CA LEU A 89 6.971 32.963 22.212 1.00 43.05 C ATOM 778 C LEU A 89 8.354 32.327 22.164 1.00 52.11 C ATOM 779 O LEU A 89 8.690 31.615 21.218 1.00 47.94 O ATOM 780 CB LEU A 89 6.018 32.046 22.983 1.00 44.32 C ATOM 781 CG LEU A 89 4.578 32.524 23.172 1.00 45.89 C ATOM 782 CD1 LEU A 89 3.769 31.472 23.902 1.00 52.04 C ATOM 783 CD2 LEU A 89 4.536 33.837 23.928 1.00 48.67 C ATOM 784 H LEU A 89 6.241 32.424 20.247 1.00 0.00 H ATOM 785 N VAL A 90 9.143 32.590 23.201 1.00 47.32 N ATOM 786 CA VAL A 90 10.411 31.909 23.412 1.00 47.95 C ATOM 787 C VAL A 90 10.320 31.161 24.735 1.00 47.58 C ATOM 788 O VAL A 90 10.250 31.772 25.801 1.00 47.00 O ATOM 789 CB VAL A 90 11.608 32.896 23.425 1.00 51.36 C ATOM 790 CG1 VAL A 90 12.905 32.181 23.785 1.00 49.53 C ATOM 791 CG2 VAL A 90 11.743 33.593 22.078 1.00 41.68 C ATOM 792 H VAL A 90 8.842 33.310 23.888 1.00 0.00 H ATOM 793 N ALA A 91 10.304 29.834 24.654 1.00 49.74 N ATOM 794 CA ALA A 91 10.181 28.991 25.835 1.00 47.99 C ATOM 795 C ALA A 91 11.547 28.473 26.262 1.00 51.72 C ATOM 796 O ALA A 91 12.269 27.896 25.457 1.00 53.29 O ATOM 797 CB ALA A 91 9.240 27.832 25.557 1.00 48.53 C ATOM 798 H ALA A 91 10.382 29.385 23.719 1.00 0.00 H ATOM 799 N HIS A 92 11.890 28.686 27.529 1.00 51.11 N ATOM 800 CA HIS A 92 13.142 28.196 28.098 1.00 50.47 C ATOM 801 C HIS A 92 12.864 27.204 29.221 1.00 54.96 C ATOM 802 O HIS A 92 11.887 27.354 29.951 1.00 56.57 O ATOM 803 CB HIS A 92 13.987 29.360 28.620 1.00 49.86 C ATOM 804 H HIS A 92 11.241 29.223 28.139 1.00 0.00 H ATOM 805 N ALA A 93 13.716 26.192 29.358 1.00 58.03 N ATOM 806 CA ALA A 93 13.550 25.203 30.420 1.00 58.59 C ATOM 807 C ALA A 93 14.900 24.691 30.908 1.00 66.85 C ATOM 808 O ALA A 93 15.887 24.729 30.177 1.00 63.98 O ATOM 809 CB ALA A 93 12.697 24.044 29.929 1.00 61.20 C ATOM 810 H ALA A 93 14.514 26.103 28.697 1.00 0.00 H ATOM 811 N GLU A 94 14.925 24.226 32.155 1.00 71.54 N ATOM 812 CA GLU A 94 16.114 23.631 32.762 1.00 69.27 C ATOM 813 C GLU A 94 15.792 22.252 33.331 1.00 74.39 C ATOM 814 O GLU A 94 14.842 22.113 34.095 1.00 78.24 O ATOM 815 CB GLU A 94 16.668 24.539 33.861 1.00 67.80 C ATOM 816 H GLU A 94 14.057 24.289 32.725 1.00 0.00 H ATOM 817 N PHE A 95 16.570 21.236 32.966 1.00 78.83 N ATOM 818 CA PHE A 95 16.287 19.874 33.418 1.00 75.98 C ATOM 819 C PHE A 95 17.556 19.034 33.550 1.00 79.28 C ATOM 820 O PHE A 95 18.664 19.531 33.353 1.00 81.02 O ATOM 821 CB PHE A 95 15.309 19.198 32.449 1.00 73.35 C ATOM 822 CG PHE A 95 15.698 19.331 31.002 1.00 75.45 C ATOM 823 CD1 PHE A 95 16.339 18.296 30.340 1.00 78.41 C ATOM 824 CD2 PHE A 95 15.425 20.497 30.306 1.00 77.19 C ATOM 825 CE1 PHE A 95 16.699 18.423 29.009 1.00 78.84 C ATOM 826 CE2 PHE A 95 15.783 20.630 28.978 1.00 76.86 C ATOM 827 CZ PHE A 95 16.420 19.592 28.328 1.00 77.76 C ATOM 828 H PHE A 95 17.390 21.413 32.351 1.00 0.00 H ATOM 829 N ASP A 96 17.366 17.754 33.866 1.00 81.51 N ATOM 830 CA ASP A 96 18.452 16.788 34.035 1.00 76.13 C ATOM 831 C ASP A 96 19.675 17.318 34.784 1.00 79.56 C ATOM 832 O ASP A 96 20.795 16.880 34.518 1.00 81.21 O ATOM 833 CB ASP A 96 18.895 16.273 32.663 1.00 73.62 C ATOM 834 H ASP A 96 16.390 17.422 34.000 1.00 0.00 H ATOM 835 N GLY A 97 19.469 18.255 35.707 1.00 79.73 N ATOM 836 CA GLY A 97 20.564 18.742 36.528 1.00 79.60 C ATOM 837 C GLY A 97 20.977 20.165 36.201 1.00 85.89 C ATOM 838 O GLY A 97 21.630 20.829 37.007 1.00 90.55 O ATOM 839 H GLY A 97 18.513 18.643 35.842 1.00 0.00 H ATOM 840 N GLY A 98 20.578 20.643 35.025 1.00 84.74 N ATOM 841 CA GLY A 98 20.990 21.956 34.564 1.00 78.91 C ATOM 842 C GLY A 98 21.101 22.076 33.053 1.00 72.06 C ATOM 843 O GLY A 98 21.477 23.134 32.546 1.00 66.25 O ATOM 844 H GLY A 98 19.958 20.064 34.424 1.00 0.00 H ATOM 845 N PHE A 99 20.791 21.003 32.327 1.00 72.92 N ATOM 846 CA PHE A 99 20.736 21.088 30.871 1.00 73.66 C ATOM 847 C PHE A 99 19.610 22.045 30.520 1.00 72.54 C ATOM 848 O PHE A 99 18.605 22.097 31.228 1.00 73.98 O ATOM 849 CB PHE A 99 20.455 19.728 30.223 1.00 74.42 C ATOM 850 CG PHE A 99 21.627 18.789 30.210 1.00 77.39 C ATOM 851 CD1 PHE A 99 22.558 18.836 29.185 1.00 77.60 C ATOM 852 CD2 PHE A 99 21.777 17.835 31.201 1.00 76.01 C ATOM 853 CE1 PHE A 99 23.630 17.963 29.163 1.00 73.68 C ATOM 854 CE2 PHE A 99 22.847 16.961 31.185 1.00 74.59 C ATOM 855 CZ PHE A 99 23.774 17.024 30.163 1.00 69.60 C ATOM 856 H PHE A 99 20.587 20.100 32.800 1.00 0.00 H ATOM 857 N THR A 100 19.768 22.796 29.434 1.00 72.01 N ATOM 858 CA THR A 100 18.766 23.782 29.046 1.00 67.00 C ATOM 859 C THR A 100 18.228 23.509 27.653 1.00 63.82 C ATOM 860 O THR A 100 18.905 22.917 26.816 1.00 63.12 O ATOM 861 CB THR A 100 19.319 25.225 29.077 1.00 63.70 C ATOM 862 OG1 THR A 100 20.295 25.392 28.042 1.00 70.79 O ATOM 863 CG2 THR A 100 19.938 25.547 30.430 1.00 62.28 C ATOM 864 HG1 THR A 100 19.874 25.221 27.162 1.00 0.00 H ATOM 865 H THR A 100 20.621 22.678 28.851 1.00 0.00 H ATOM 866 N SER A 101 16.992 23.940 27.428 1.00 64.96 N ATOM 867 CA SER A 101 16.368 23.874 26.116 1.00 59.30 C ATOM 868 C SER A 101 15.675 25.196 25.845 1.00 58.46 C ATOM 869 O SER A 101 15.127 25.812 26.759 1.00 59.84 O ATOM 870 CB SER A 101 15.369 22.721 26.035 1.00 55.60 C ATOM 871 OG SER A 101 14.308 22.905 26.952 1.00 64.19 O ATOM 872 HG SER A 101 13.836 23.750 26.744 1.00 0.00 H ATOM 873 H SER A 101 16.450 24.340 28.220 1.00 0.00 H ATOM 874 N GLU A 102 15.729 25.645 24.598 1.00 52.35 N ATOM 875 CA GLU A 102 15.066 26.875 24.213 1.00 45.76 C ATOM 876 C GLU A 102 14.523 26.739 22.798 1.00 55.23 C ATOM 877 O GLU A 102 15.196 26.204 21.919 1.00 50.52 O ATOM 878 CB GLU A 102 16.018 28.064 24.326 1.00 56.79 C ATOM 879 CG GLU A 102 15.424 29.385 23.857 1.00 62.23 C ATOM 880 CD GLU A 102 16.428 30.520 23.898 1.00 73.17 C ATOM 881 OE1 GLU A 102 17.129 30.738 22.887 1.00 75.30 O ATOM 882 OE2 GLU A 102 16.516 31.194 24.948 1.00 77.03 O ATOM 883 H GLU A 102 16.257 25.104 23.883 1.00 0.00 H ATOM 884 N VAL A 103 13.293 27.200 22.588 1.00 52.29 N ATOM 885 CA VAL A 103 12.686 27.168 21.264 1.00 47.64 C ATOM 886 C VAL A 103 11.809 28.395 21.054 1.00 49.29 C ATOM 887 O VAL A 103 11.189 28.901 21.992 1.00 44.19 O ATOM 888 CB VAL A 103 11.861 25.879 21.042 1.00 49.47 C ATOM 889 CG1 VAL A 103 10.589 25.872 21.892 1.00 53.05 C ATOM 890 CG2 VAL A 103 11.523 25.717 19.566 1.00 50.00 C ATOM 891 H VAL A 103 12.753 27.592 23.386 1.00 0.00 H ATOM 892 N ARG A 104 11.784 28.871 19.814 1.00 50.09 N ATOM 893 CA ARG A 104 10.993 30.029 19.427 1.00 47.01 C ATOM 894 C ARG A 104 9.996 29.623 18.350 1.00 50.94 C ATOM 895 O ARG A 104 10.388 29.146 17.285 1.00 53.00 O ATOM 896 CB ARG A 104 11.904 31.149 18.927 1.00 40.11 C ATOM 897 CG ARG A 104 11.180 32.347 18.348 1.00 50.82 C ATOM 898 CD ARG A 104 12.166 33.424 17.947 1.00 43.29 C ATOM 899 NE ARG A 104 11.546 34.462 17.131 1.00 44.56 N ATOM 900 CZ ARG A 104 11.361 34.363 15.819 1.00 47.51 C ATOM 901 NH1 ARG A 104 11.725 33.262 15.176 1.00 44.93 N ATOM 902 NH2 ARG A 104 10.792 35.355 15.150 1.00 53.07 N ATOM 903 HE ARG A 104 11.230 35.332 17.605 1.00 0.00 H ATOM 904 HH12 ARG A 104 11.579 33.187 14.149 1.00 0.00 H ATOM 905 HH11 ARG A 104 12.157 32.473 15.699 1.00 0.00 H ATOM 906 HH22 ARG A 104 10.648 35.275 14.123 1.00 0.00 H ATOM 907 HH21 ARG A 104 10.489 36.214 15.652 1.00 0.00 H ATOM 908 H ARG A 104 12.355 28.394 19.087 1.00 0.00 H ATOM 909 N GLY A 105 8.709 29.807 18.632 1.00 48.34 N ATOM 910 CA GLY A 105 7.667 29.412 17.702 1.00 51.87 C ATOM 911 C GLY A 105 6.386 30.223 17.801 1.00 53.18 C ATOM 912 O GLY A 105 6.258 31.123 18.632 1.00 50.66 O ATOM 913 H GLY A 105 8.444 30.243 19.538 1.00 0.00 H ATOM 914 N VAL A 106 5.436 29.891 16.933 1.00 49.43 N ATOM 915 CA VAL A 106 4.118 30.507 16.938 1.00 45.48 C ATOM 916 C VAL A 106 3.197 29.712 17.844 1.00 45.33 C ATOM 917 O VAL A 106 3.108 28.490 17.728 1.00 47.02 O ATOM 918 CB VAL A 106 3.518 30.569 15.518 1.00 46.39 C ATOM 919 CG1 VAL A 106 2.036 30.957 15.555 1.00 48.91 C ATOM 920 CG2 VAL A 106 4.290 31.540 14.668 1.00 49.46 C ATOM 921 H VAL A 106 5.643 29.161 16.221 1.00 0.00 H ATOM 922 N PHE A 107 2.522 30.411 18.750 1.00 43.60 N ATOM 923 CA PHE A 107 1.573 29.774 19.649 1.00 43.39 C ATOM 924 C PHE A 107 0.208 30.438 19.558 1.00 45.03 C ATOM 925 O PHE A 107 0.072 31.642 19.781 1.00 43.73 O ATOM 926 CB PHE A 107 2.096 29.804 21.082 1.00 40.51 C ATOM 927 CG PHE A 107 3.293 28.930 21.292 1.00 43.31 C ATOM 928 CD1 PHE A 107 3.146 27.635 21.754 1.00 48.80 C ATOM 929 CD2 PHE A 107 4.565 29.395 21.004 1.00 44.64 C ATOM 930 CE1 PHE A 107 4.247 26.823 21.939 1.00 46.01 C ATOM 931 CE2 PHE A 107 5.667 28.589 21.188 1.00 46.81 C ATOM 932 CZ PHE A 107 5.507 27.299 21.654 1.00 42.42 C ATOM 933 H PHE A 107 2.676 31.437 18.818 1.00 0.00 H ATOM 934 N THR A 108 -0.797 29.635 19.226 1.00 39.64 N ATOM 935 CA THR A 108 -2.161 30.117 19.091 1.00 41.35 C ATOM 936 C THR A 108 -2.965 29.736 20.323 1.00 46.53 C ATOM 937 O THR A 108 -2.834 28.628 20.841 1.00 40.82 O ATOM 938 CB THR A 108 -2.845 29.544 17.839 1.00 38.36 C ATOM 939 OG1 THR A 108 -2.982 28.125 17.972 1.00 39.79 O ATOM 940 CG2 THR A 108 -2.035 29.856 16.588 1.00 45.11 C ATOM 941 HG1 THR A 108 -3.532 27.921 18.770 1.00 0.00 H ATOM 942 H THR A 108 -0.601 28.628 19.057 1.00 0.00 H ATOM 943 N TYR A 109 -3.798 30.667 20.779 1.00 45.90 N ATOM 944 CA TYR A 109 -4.644 30.462 21.948 1.00 39.25 C ATOM 945 C TYR A 109 -6.110 30.556 21.547 1.00 43.91 C ATOM 946 O TYR A 109 -6.452 31.221 20.566 1.00 42.42 O ATOM 947 CB TYR A 109 -4.327 31.497 23.029 1.00 41.80 C ATOM 948 CG TYR A 109 -2.945 31.388 23.634 1.00 42.01 C ATOM 949 CD1 TYR A 109 -2.778 30.974 24.949 1.00 42.65 C ATOM 950 CD2 TYR A 109 -1.812 31.719 22.904 1.00 42.98 C ATOM 951 CE1 TYR A 109 -1.524 30.880 25.515 1.00 44.77 C ATOM 952 CE2 TYR A 109 -0.550 31.625 23.463 1.00 46.67 C ATOM 953 CZ TYR A 109 -0.413 31.205 24.769 1.00 48.89 C ATOM 954 OH TYR A 109 0.839 31.111 25.336 1.00 49.05 O ATOM 955 HH TYR A 109 0.754 30.797 26.271 1.00 0.00 H ATOM 956 H TYR A 109 -3.848 31.579 20.281 1.00 0.00 H ATOM 957 N ARG A 110 -6.975 29.892 22.307 1.00 41.01 N ATOM 958 CA ARG A 110 -8.409 29.991 22.076 1.00 43.68 C ATOM 959 C ARG A 110 -9.152 29.820 23.393 1.00 42.17 C ATOM 960 O ARG A 110 -8.843 28.914 24.168 1.00 42.35 O ATOM 961 CB ARG A 110 -8.864 28.929 21.081 1.00 46.42 C ATOM 962 CG ARG A 110 -10.275 29.102 20.532 1.00 50.57 C ATOM 963 CD ARG A 110 -10.873 27.763 20.147 1.00 58.98 C ATOM 964 NE ARG A 110 -12.094 27.898 19.352 1.00 62.56 N ATOM 965 CZ ARG A 110 -13.339 27.801 19.811 1.00 72.48 C ATOM 966 NH1 ARG A 110 -13.589 27.593 21.099 1.00 62.69 N ATOM 967 NH2 ARG A 110 -14.348 27.936 18.961 1.00 76.97 N ATOM 968 HE ARG A 110 -11.978 28.087 18.336 1.00 0.00 H ATOM 969 HH12 ARG A 110 -14.571 27.521 21.433 1.00 0.00 H ATOM 970 HH11 ARG A 110 -12.802 27.502 21.773 1.00 0.00 H ATOM 971 HH22 ARG A 110 -15.328 27.863 19.301 1.00 0.00 H ATOM 972 HH21 ARG A 110 -14.159 28.115 17.954 1.00 0.00 H ATOM 973 H ARG A 110 -6.622 29.292 23.079 1.00 0.00 H ATOM 974 N VAL A 111 -10.124 30.691 23.644 1.00 39.45 N ATOM 975 CA VAL A 111 -10.956 30.589 24.839 1.00 46.25 C ATOM 976 C VAL A 111 -12.421 30.425 24.456 1.00 41.67 C ATOM 977 O VAL A 111 -12.826 30.783 23.349 1.00 41.95 O ATOM 978 CB VAL A 111 -10.803 31.824 25.754 1.00 47.67 C ATOM 979 CG1 VAL A 111 -9.394 31.886 26.321 1.00 39.78 C ATOM 980 CG2 VAL A 111 -11.155 33.107 25.005 1.00 40.71 C ATOM 981 H VAL A 111 -10.296 31.465 22.971 1.00 0.00 H ATOM 982 N ASN A 112 -13.210 29.879 25.376 1.00 43.33 N ATOM 983 CA ASN A 112 -14.644 29.740 25.163 1.00 42.41 C ATOM 984 C ASN A 112 -15.358 31.007 25.624 1.00 42.53 C ATOM 985 O ASN A 112 -14.709 31.988 25.990 1.00 44.03 O ATOM 986 CB ASN A 112 -15.185 28.508 25.895 1.00 35.32 C ATOM 987 CG ASN A 112 -14.878 28.519 27.383 1.00 39.43 C ATOM 988 OD1 ASN A 112 -14.589 29.562 27.972 1.00 41.84 O ATOM 989 ND2 ASN A 112 -14.950 27.348 28.001 1.00 30.90 N ATOM 990 HD22 ASN A 112 -15.198 26.492 27.465 1.00 0.00 H ATOM 991 HD21 ASN A 112 -14.759 27.286 29.021 1.00 0.00 H ATOM 992 H ASN A 112 -12.794 29.543 26.268 1.00 0.00 H ATOM 993 N LYS A 113 -16.686 30.986 25.606 1.00 47.23 N ATOM 994 CA LYS A 113 -17.474 32.158 25.977 1.00 43.78 C ATOM 995 C LYS A 113 -17.176 32.620 27.402 1.00 41.46 C ATOM 996 O LYS A 113 -17.182 33.816 27.687 1.00 46.79 O ATOM 997 CB LYS A 113 -18.969 31.857 25.828 1.00 49.33 C ATOM 998 CG LYS A 113 -19.874 32.992 26.273 1.00 53.91 C ATOM 999 CD LYS A 113 -21.302 32.797 25.785 1.00 56.29 C ATOM 1000 CE LYS A 113 -22.193 33.969 26.175 1.00 68.12 C ATOM 1001 NZ LYS A 113 -21.638 35.284 25.730 1.00 71.53 N ATOM 1002 HZ1 LYS A 113 -20.706 35.431 26.167 1.00 0.00 H ATOM 1003 HZ2 LYS A 113 -21.541 35.286 24.695 1.00 0.00 H ATOM 1004 HZ3 LYS A 113 -22.282 36.047 26.020 1.00 0.00 H ATOM 1005 H LYS A 113 -17.176 30.114 25.321 1.00 0.00 H ATOM 1006 N ALA A 114 -16.899 31.669 28.288 1.00 49.33 N ATOM 1007 CA ALA A 114 -16.593 31.983 29.680 1.00 39.44 C ATOM 1008 C ALA A 114 -15.179 32.538 29.833 1.00 46.83 C ATOM 1009 O ALA A 114 -14.817 33.043 30.897 1.00 47.95 O ATOM 1010 CB ALA A 114 -16.766 30.745 30.546 1.00 43.09 C ATOM 1011 H ALA A 114 -16.900 30.675 27.981 1.00 0.00 H ATOM 1012 N GLY A 115 -14.385 32.444 28.770 1.00 42.68 N ATOM 1013 CA GLY A 115 -13.035 32.976 28.778 1.00 43.45 C ATOM 1014 C GLY A 115 -11.980 31.982 29.231 1.00 42.57 C ATOM 1015 O GLY A 115 -10.836 32.360 29.482 1.00 46.91 O ATOM 1016 H GLY A 115 -14.741 31.977 27.911 1.00 0.00 H ATOM 1017 N LEU A 116 -12.358 30.711 29.334 1.00 45.60 N ATOM 1018 CA LEU A 116 -11.428 29.665 29.751 1.00 41.96 C ATOM 1019 C LEU A 116 -10.720 29.082 28.536 1.00 43.04 C ATOM 1020 O LEU A 116 -11.329 28.909 27.482 1.00 42.75 O ATOM 1021 CB LEU A 116 -12.160 28.554 30.506 1.00 47.70 C ATOM 1022 CG LEU A 116 -12.911 28.959 31.775 1.00 46.34 C ATOM 1023 CD1 LEU A 116 -13.732 27.785 32.291 1.00 39.27 C ATOM 1024 CD2 LEU A 116 -11.947 29.450 32.837 1.00 43.87 C ATOM 1025 H LEU A 116 -13.341 30.455 29.112 1.00 0.00 H ATOM 1026 N ILE A 117 -9.434 28.778 28.686 1.00 41.11 N ATOM 1027 CA ILE A 117 -8.643 28.247 27.583 1.00 43.78 C ATOM 1028 C ILE A 117 -9.134 26.862 27.173 1.00 41.79 C ATOM 1029 O ILE A 117 -9.260 25.966 28.008 1.00 38.90 O ATOM 1030 CB ILE A 117 -7.145 28.167 27.951 1.00 43.32 C ATOM 1031 CG1 ILE A 117 -6.635 29.553 28.354 1.00 36.27 C ATOM 1032 CG2 ILE A 117 -6.335 27.602 26.779 1.00 41.73 C ATOM 1033 CD1 ILE A 117 -5.162 29.614 28.708 1.00 48.00 C ATOM 1034 H ILE A 117 -8.982 28.922 29.612 1.00 0.00 H ATOM 1035 N THR A 118 -9.401 26.700 25.880 1.00 42.50 N ATOM 1036 CA THR A 118 -9.823 25.416 25.328 1.00 44.06 C ATOM 1037 C THR A 118 -8.760 24.845 24.393 1.00 45.38 C ATOM 1038 O THR A 118 -8.685 23.632 24.195 1.00 44.07 O ATOM 1039 CB THR A 118 -11.158 25.539 24.555 1.00 45.62 C ATOM 1040 OG1 THR A 118 -10.983 26.398 23.420 1.00 48.69 O ATOM 1041 CG2 THR A 118 -12.255 26.104 25.446 1.00 39.04 C ATOM 1042 HG1 THR A 118 -10.292 26.017 22.823 1.00 0.00 H ATOM 1043 H THR A 118 -9.306 27.515 25.241 1.00 0.00 H ATOM 1044 N ASN A 119 -7.937 25.723 23.825 1.00 37.45 N ATOM 1045 CA ASN A 119 -6.914 25.304 22.876 1.00 40.37 C ATOM 1046 C ASN A 119 -5.627 26.108 23.009 1.00 46.10 C ATOM 1047 O ASN A 119 -5.653 27.336 23.087 1.00 43.12 O ATOM 1048 CB ASN A 119 -7.441 25.423 21.447 1.00 40.15 C ATOM 1049 CG ASN A 119 -8.626 24.521 21.190 1.00 45.49 C ATOM 1050 OD1 ASN A 119 -9.741 24.990 20.963 1.00 59.27 O ATOM 1051 ND2 ASN A 119 -8.394 23.217 21.225 1.00 45.80 N ATOM 1052 HD22 ASN A 119 -7.435 22.864 21.421 1.00 0.00 H ATOM 1053 HD21 ASN A 119 -9.171 22.546 21.057 1.00 0.00 H ATOM 1054 H ASN A 119 -8.026 26.731 24.064 1.00 0.00 H ATOM 1055 N LEU A 120 -4.509 25.390 23.046 1.00 45.13 N ATOM 1056 CA LEU A 120 -3.180 25.984 22.986 1.00 41.10 C ATOM 1057 C LEU A 120 -2.319 25.136 22.058 1.00 46.87 C ATOM 1058 O LEU A 120 -2.038 23.973 22.354 1.00 44.19 O ATOM 1059 CB LEU A 120 -2.550 26.080 24.378 1.00 42.10 C ATOM 1060 CG LEU A 120 -1.055 26.429 24.431 1.00 44.09 C ATOM 1061 CD1 LEU A 120 -0.728 27.659 23.601 1.00 44.87 C ATOM 1062 CD2 LEU A 120 -0.600 26.628 25.868 1.00 44.38 C ATOM 1063 H LEU A 120 -4.587 24.356 23.121 1.00 0.00 H ATOM 1064 N ARG A 121 -1.925 25.715 20.927 1.00 42.99 N ATOM 1065 CA ARG A 121 -1.219 24.971 19.889 1.00 43.76 C ATOM 1066 C ARG A 121 0.100 25.652 19.542 1.00 44.70 C ATOM 1067 O ARG A 121 0.150 26.868 19.393 1.00 46.72 O ATOM 1068 CB ARG A 121 -2.090 24.847 18.639 1.00 48.06 C ATOM 1069 CG ARG A 121 -3.551 24.552 18.934 1.00 45.03 C ATOM 1070 CD ARG A 121 -4.337 24.308 17.659 1.00 38.39 C ATOM 1071 NE ARG A 121 -4.162 22.939 17.174 1.00 46.85 N ATOM 1072 CZ ARG A 121 -3.873 22.598 15.920 1.00 46.52 C ATOM 1073 NH1 ARG A 121 -3.721 23.519 14.974 1.00 43.89 N ATOM 1074 NH2 ARG A 121 -3.740 21.317 15.607 1.00 41.07 N ATOM 1075 HE ARG A 121 -4.272 22.170 17.865 1.00 0.00 H ATOM 1076 HH12 ARG A 121 -3.495 23.232 14.000 1.00 0.00 H ATOM 1077 HH11 ARG A 121 -3.828 24.527 15.207 1.00 0.00 H ATOM 1078 HH22 ARG A 121 -3.514 21.041 14.630 1.00 0.00 H ATOM 1079 HH21 ARG A 121 -3.861 20.588 16.338 1.00 0.00 H ATOM 1080 H ARG A 121 -2.125 26.725 20.779 1.00 0.00 H ATOM 1081 N GLY A 122 1.159 24.860 19.405 1.00 50.75 N ATOM 1082 CA GLY A 122 2.486 25.387 19.133 1.00 46.57 C ATOM 1083 C GLY A 122 3.048 24.927 17.801 1.00 44.04 C ATOM 1084 O GLY A 122 3.036 23.737 17.487 1.00 48.39 O ATOM 1085 H GLY A 122 1.034 23.831 19.495 1.00 0.00 H ATOM 1086 N TYR A 123 3.562 25.878 17.028 1.00 46.31 N ATOM 1087 CA TYR A 123 4.175 25.584 15.737 1.00 48.49 C ATOM 1088 C TYR A 123 5.693 25.625 15.855 1.00 48.73 C ATOM 1089 O TYR A 123 6.311 26.677 15.693 1.00 53.55 O ATOM 1090 CB TYR A 123 3.708 26.576 14.673 1.00 46.57 C ATOM 1091 CG TYR A 123 2.249 26.441 14.301 1.00 49.14 C ATOM 1092 CD1 TYR A 123 1.866 25.755 13.157 1.00 53.30 C ATOM 1093 CD2 TYR A 123 1.255 27.000 15.093 1.00 45.63 C ATOM 1094 CE1 TYR A 123 0.534 25.631 12.811 1.00 49.43 C ATOM 1095 CE2 TYR A 123 -0.081 26.881 14.756 1.00 44.82 C ATOM 1096 CZ TYR A 123 -0.436 26.197 13.614 1.00 46.79 C ATOM 1097 OH TYR A 123 -1.765 26.075 13.274 1.00 43.06 O ATOM 1098 HH TYR A 123 -2.248 25.603 13.998 1.00 0.00 H ATOM 1099 H TYR A 123 3.526 26.865 17.354 1.00 0.00 H ATOM 1100 N TYR A 124 6.282 24.472 16.152 1.00 48.22 N ATOM 1101 CA TYR A 124 7.731 24.339 16.243 1.00 51.30 C ATOM 1102 C TYR A 124 8.108 22.865 16.185 1.00 51.42 C ATOM 1103 O TYR A 124 7.256 21.997 16.380 1.00 53.09 O ATOM 1104 CB TYR A 124 8.257 24.970 17.534 1.00 49.64 C ATOM 1105 CG TYR A 124 7.835 24.236 18.788 1.00 51.35 C ATOM 1106 CD1 TYR A 124 8.663 23.286 19.373 1.00 47.64 C ATOM 1107 CD2 TYR A 124 6.607 24.491 19.386 1.00 49.19 C ATOM 1108 CE1 TYR A 124 8.280 22.611 20.518 1.00 50.05 C ATOM 1109 CE2 TYR A 124 6.216 23.823 20.533 1.00 43.16 C ATOM 1110 CZ TYR A 124 7.056 22.884 21.093 1.00 53.35 C ATOM 1111 OH TYR A 124 6.672 22.213 22.231 1.00 54.89 O ATOM 1112 HH TYR A 124 7.386 21.581 22.497 1.00 0.00 H ATOM 1113 H TYR A 124 5.689 23.635 16.326 1.00 0.00 H ATOM 1114 N ASN A 125 9.379 22.585 15.909 1.00 56.36 N ATOM 1115 CA ASN A 125 9.879 21.212 15.908 1.00 55.76 C ATOM 1116 C ASN A 125 11.262 21.121 16.546 1.00 53.48 C ATOM 1117 O ASN A 125 11.798 22.119 17.024 1.00 52.34 O ATOM 1118 CB ASN A 125 9.914 20.649 14.481 1.00 47.89 C ATOM 1119 CG ASN A 125 10.777 21.472 13.538 1.00 55.91 C ATOM 1120 OD1 ASN A 125 11.646 22.235 13.964 1.00 55.17 O ATOM 1121 ND2 ASN A 125 10.547 21.305 12.240 1.00 58.39 N ATOM 1122 HD22 ASN A 125 9.803 20.651 11.924 1.00 0.00 H ATOM 1123 HD21 ASN A 125 11.111 21.829 11.540 1.00 0.00 H ATOM 1124 H ASN A 125 10.033 23.363 15.688 1.00 0.00 H ATOM 1125 N LEU A 126 11.826 19.917 16.549 1.00 60.50 N ATOM 1126 CA LEU A 126 13.119 19.662 17.174 1.00 50.77 C ATOM 1127 C LEU A 126 14.214 20.538 16.575 1.00 49.23 C ATOM 1128 O LEU A 126 15.018 21.117 17.303 1.00 55.28 O ATOM 1129 CB LEU A 126 13.488 18.184 17.037 1.00 56.59 C ATOM 1130 CG LEU A 126 14.808 17.756 17.680 1.00 62.58 C ATOM 1131 CD1 LEU A 126 14.725 17.871 19.195 1.00 62.60 C ATOM 1132 CD2 LEU A 126 15.151 16.333 17.271 1.00 61.96 C ATOM 1133 H LEU A 126 11.327 19.129 16.089 1.00 0.00 H ATOM 1134 N ASP A 127 14.231 20.645 15.250 1.00 48.85 N ATOM 1135 CA ASP A 127 15.273 21.389 14.545 1.00 55.37 C ATOM 1136 C ASP A 127 15.325 22.859 14.964 1.00 61.59 C ATOM 1137 O ASP A 127 16.307 23.555 14.699 1.00 66.38 O ATOM 1138 CB ASP A 127 15.054 21.293 13.033 1.00 54.19 C ATOM 1139 H ASP A 127 13.479 20.185 14.698 1.00 0.00 H ATOM 1140 N MET A 128 14.265 23.319 15.623 1.00 60.82 N ATOM 1141 CA MET A 128 14.170 24.698 16.094 1.00 53.72 C ATOM 1142 C MET A 128 14.658 24.853 17.535 1.00 53.71 C ATOM 1143 O MET A 128 14.931 25.968 17.981 1.00 55.03 O ATOM 1144 CB MET A 128 12.724 25.182 15.972 1.00 56.19 C ATOM 1145 CG MET A 128 12.339 25.598 14.563 1.00 58.02 C ATOM 1146 SD MET A 128 10.581 25.397 14.227 1.00 65.88 S ATOM 1147 CE MET A 128 9.929 26.959 14.811 1.00 52.72 C ATOM 1148 H MET A 128 13.473 22.671 15.810 1.00 0.00 H ATOM 1149 N MET A 129 14.754 23.744 18.267 1.00 50.07 N ATOM 1150 CA MET A 129 15.217 23.791 19.653 1.00 52.01 C ATOM 1151 C MET A 129 16.739 23.892 19.740 1.00 58.02 C ATOM 1152 O MET A 129 17.459 23.332 18.916 1.00 65.60 O ATOM 1153 CB MET A 129 14.742 22.565 20.433 1.00 49.70 C ATOM 1154 CG MET A 129 13.247 22.316 20.345 1.00 55.58 C ATOM 1155 SD MET A 129 12.596 21.147 21.560 1.00 70.32 S ATOM 1156 CE MET A 129 13.268 21.771 23.104 1.00 60.84 C ATOM 1157 H MET A 129 14.495 22.829 17.845 1.00 0.00 H ATOM 1158 N THR A 130 17.209 24.625 20.746 1.00 54.73 N ATOM 1159 CA THR A 130 18.633 24.782 21.019 1.00 52.91 C ATOM 1160 C THR A 130 18.931 24.329 22.447 1.00 59.20 C ATOM 1161 O THR A 130 18.216 24.701 23.376 1.00 55.99 O ATOM 1162 CB THR A 130 19.080 26.232 20.824 1.00 53.45 C ATOM 1163 OG1 THR A 130 18.401 27.074 21.764 1.00 68.74 O ATOM 1164 CG2 THR A 130 18.760 26.697 19.408 1.00 59.27 C ATOM 1165 HG1 THR A 130 18.620 26.782 22.684 1.00 0.00 H ATOM 1166 H THR A 130 16.529 25.109 21.367 1.00 0.00 H ATOM 1167 N PHE A 131 19.979 23.525 22.610 1.00 58.73 N ATOM 1168 CA PHE A 131 20.316 22.936 23.906 1.00 62.20 C ATOM 1169 C PHE A 131 21.622 23.480 24.500 1.00 59.90 C ATOM 1170 O PHE A 131 22.516 23.899 23.770 1.00 59.77 O ATOM 1171 CB PHE A 131 20.369 21.416 23.760 1.00 60.55 C ATOM 1172 CG PHE A 131 19.083 20.825 23.249 1.00 59.23 C ATOM 1173 CD1 PHE A 131 18.146 20.301 24.125 1.00 61.20 C ATOM 1174 CD2 PHE A 131 18.801 20.817 21.891 1.00 59.60 C ATOM 1175 CE1 PHE A 131 16.958 19.769 23.657 1.00 59.20 C ATOM 1176 CE2 PHE A 131 17.614 20.286 21.417 1.00 59.06 C ATOM 1177 CZ PHE A 131 16.692 19.762 22.301 1.00 58.89 C ATOM 1178 H PHE A 131 20.579 23.308 21.788 1.00 0.00 H ATOM 1179 N GLY A 132 21.706 23.480 25.833 1.00 62.71 N ATOM 1180 CA GLY A 132 22.834 24.053 26.567 1.00 65.23 C ATOM 1181 C GLY A 132 23.514 23.140 27.590 1.00 76.62 C ATOM 1182 O GLY A 132 22.896 22.199 28.096 1.00 74.56 O ATOM 1183 H GLY A 132 20.930 23.051 26.377 1.00 0.00 H ATOM 1184 N ASN A 133 24.787 23.438 27.886 1.00 84.83 N ATOM 1185 CA ASN A 133 25.625 22.644 28.804 1.00 87.23 C ATOM 1186 C ASN A 133 26.005 23.287 30.132 1.00 90.30 C ATOM 1187 O ASN A 133 26.904 22.790 30.817 1.00 89.85 O ATOM 1188 CB ASN A 133 26.924 22.244 28.094 1.00 85.61 C ATOM 1189 CG ASN A 133 27.158 20.757 28.126 1.00 87.18 C ATOM 1190 OD1 ASN A 133 26.795 20.078 29.086 1.00 92.81 O ATOM 1191 ND2 ASN A 133 27.769 20.238 27.073 1.00 85.19 N ATOM 1192 HD22 ASN A 133 28.058 20.852 26.285 1.00 0.00 H ATOM 1193 HD21 ASN A 133 27.960 19.217 27.034 1.00 0.00 H ATOM 1194 H ASN A 133 25.209 24.279 27.442 1.00 0.00 H ATOM 1195 N GLN A 134 25.402 24.422 30.465 1.00 84.81 N ATOM 1196 CA GLN A 134 25.674 25.067 31.748 1.00 80.04 C ATOM 1197 C GLN A 134 24.369 25.344 32.479 1.00 76.44 C ATOM 1198 O GLN A 134 24.321 25.352 33.706 1.00 75.34 O ATOM 1199 CB GLN A 134 26.476 26.357 31.554 1.00 73.91 C ATOM 1200 H GLN A 134 24.727 24.858 29.804 1.00 0.00 H TER 1201 GLN A 134 HETATM 1202 NA NA A 1 2.502 34.914 27.600 1.00 30.00 NA HETATM 1203 O HOH 2 1.213 31.311 27.842 1.00 30.00 O HETATM 1204 O HOH 3 8.128 20.083 23.371 1.00 47.80 O HETATM 1205 O HOH 4 -6.896 40.205 21.370 1.00 50.40 O HETATM 1206 O HOH 5 23.427 25.584 29.342 1.00 68.50 O HETATM 1207 O HOH 6 -3.397 26.545 15.212 1.00 43.77 O HETATM 1208 O HOH 7 14.316 28.532 18.028 1.00 52.74 O HETATM 1209 O HOH 8 -0.643 13.886 30.143 1.00 52.17 O HETATM 1210 O HOH 9 -0.764 13.503 23.172 1.00 51.30 O HETATM 1211 O HOH 10 1.060 18.870 23.615 1.00 48.50 O HETATM 1212 O HOH 11 -12.910 22.655 36.641 1.00 51.45 O HETATM 1213 O HOH 12 -1.212 17.771 17.480 1.00 48.39 O HETATM 1214 O HOH 13 -7.776 38.837 19.273 1.00 43.62 O HETATM 1215 O HOH 14 -9.632 35.044 30.079 1.00 42.47 O HETATM 1216 O HOH 15 -6.971 35.709 34.673 1.00 49.93 O HETATM 1217 O HOH 16 -4.453 13.127 26.367 1.00 49.51 O HETATM 1218 CAA UNN A 17 9.769 21.574 27.616 1.00 0.01 C HETATM 1219 CAP UNN A 17 9.283 22.022 26.285 1.00 0.16 C HETATM 1220 OAD UNN A 17 9.278 21.282 25.328 1.00 -0.33 O HETATM 1221 CAX UNN A 17 8.777 23.403 26.170 1.00 0.13 C HETATM 1222 OAF UNN A 17 9.574 24.200 26.999 1.00 -0.39 O HETATM 1223 H10 UNN A 17 9.519 23.880 27.892 1.00 0.21 H HETATM 1224 CAO UNN A 17 8.868 23.919 24.741 1.00 -0.02 C HETATM 1225 CAL UNN A 17 7.481 24.437 24.431 1.00 -0.05 C HETATM 1226 CAU UNN A 17 6.985 24.830 25.795 1.00 -0.03 C HETATM 1227 CAS UNN A 17 5.558 25.332 25.970 1.00 -0.04 C HETATM 1228 CAJ UNN A 17 5.345 26.662 25.298 1.00 -0.04 C HETATM 1229 CAH UNN A 17 3.934 27.116 25.490 1.00 -0.02 C HETATM 1230 CAR UNN A 17 3.616 27.298 26.922 1.00 -0.04 C HETATM 1231 CAG UNN A 17 2.738 28.228 27.232 1.00 0.05 C HETATM 1232 CAQ UNN A 17 2.340 28.411 28.612 1.00 0.18 C HETATM 1233 OAE UNN A 17 1.921 29.490 28.963 1.00 -0.34 O HETATM 1234 CAI UNN A 17 2.447 27.253 29.527 1.00 0.02 C HETATM 1235 CAM UNN A 17 3.660 26.409 29.230 1.00 -0.06 C HETATM 1236 CAV UNN A 17 3.834 26.063 27.746 1.00 -0.04 C HETATM 1237 CAB UNN A 17 2.809 25.025 27.352 1.00 -0.09 C HETATM 1238 H4 UNN A 17 1.799 25.412 27.554 1.00 0.01 H HETATM 1239 H5 UNN A 17 2.974 24.107 27.935 1.00 0.01 H HETATM 1240 H6 UNN A 17 2.908 24.801 26.280 1.00 0.01 H HETATM 1241 CAT UNN A 17 5.263 25.529 27.465 1.00 -0.06 C HETATM 1242 CAK UNN A 17 5.579 24.241 28.208 1.00 -0.06 C HETATM 1243 CAN UNN A 17 7.025 23.822 28.011 1.00 -0.05 C HETATM 1244 CAW UNN A 17 7.301 23.551 26.555 1.00 0.01 C HETATM 1245 CAC UNN A 17 6.460 22.357 26.099 1.00 -0.06 C HETATM 1246 H7 UNN A 17 5.413 22.511 26.398 1.00 0.02 H HETATM 1247 H8 UNN A 17 6.844 21.438 26.567 1.00 0.02 H HETATM 1248 H9 UNN A 17 6.519 22.264 25.005 1.00 0.02 H HETATM 1249 H24 UNN A 17 7.220 22.909 28.593 1.00 0.03 H HETATM 1250 H25 UNN A 17 7.687 24.628 28.361 1.00 0.03 H HETATM 1251 H18 UNN A 17 5.395 24.394 29.282 1.00 0.03 H HETATM 1252 H19 UNN A 17 4.922 23.442 27.833 1.00 0.03 H HETATM 1253 H29 UNN A 17 5.959 26.297 27.835 1.00 0.02 H HETATM 1254 H22 UNN A 17 3.574 25.470 29.796 1.00 0.02 H HETATM 1255 H23 UNN A 17 4.553 26.958 29.564 1.00 0.02 H HETATM 1256 H14 UNN A 17 2.516 27.622 30.561 1.00 0.05 H HETATM 1257 H15 UNN A 17 1.546 26.631 29.419 1.00 0.05 H HETATM 1258 H11 UNN A 17 2.312 28.858 26.453 1.00 0.13 H HETATM 1259 H12 UNN A 17 3.255 26.362 25.066 1.00 0.04 H HETATM 1260 H13 UNN A 17 3.792 28.073 24.967 1.00 0.04 H HETATM 1261 H16 UNN A 17 6.029 27.404 25.736 1.00 0.03 H HETATM 1262 H17 UNN A 17 5.552 26.563 24.222 1.00 0.03 H HETATM 1263 H28 UNN A 17 4.864 24.592 25.545 1.00 0.03 H HETATM 1264 H30 UNN A 17 7.626 25.642 26.170 1.00 0.03 H HETATM 1265 H20 UNN A 17 6.851 23.652 23.987 1.00 0.03 H HETATM 1266 H21 UNN A 17 7.519 25.303 23.754 1.00 0.03 H HETATM 1267 H26 UNN A 17 9.610 24.728 24.667 1.00 0.03 H HETATM 1268 H27 UNN A 17 9.142 23.107 24.052 1.00 0.03 H HETATM 1269 H1 UNN A 17 9.684 22.402 28.335 1.00 0.05 H HETATM 1270 H2 UNN A 17 10.821 21.263 27.537 1.00 0.05 H HETATM 1271 H3 UNN A 17 9.161 20.725 27.962 1.00 0.05 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1218 1219 1269 1270 1271 CONECT 1219 1218 1220 1221 CONECT 1220 1219 CONECT 1221 1219 1222 1224 1244 CONECT 1222 1221 1223 CONECT 1223 1222 CONECT 1224 1221 1225 1267 1268 CONECT 1225 1224 1226 1265 1266 CONECT 1226 1225 1227 1244 1264 CONECT 1227 1226 1228 1241 1263 CONECT 1228 1227 1229 1261 1262 CONECT 1229 1228 1230 1259 1260 CONECT 1230 1229 1231 1236 CONECT 1231 1230 1232 1258 CONECT 1232 1231 1233 1234 CONECT 1233 1232 CONECT 1234 1232 1235 1256 1257 CONECT 1235 1234 1236 1254 1255 CONECT 1236 1230 1235 1237 1241 CONECT 1237 1236 1238 1239 1240 CONECT 1238 1237 CONECT 1239 1237 CONECT 1240 1237 CONECT 1241 1227 1236 1242 1253 CONECT 1242 1241 1243 1251 1252 CONECT 1243 1242 1244 1249 1250 CONECT 1244 1221 1226 1243 1245 CONECT 1245 1244 1246 1247 1248 CONECT 1246 1245 CONECT 1247 1245 CONECT 1248 1245 CONECT 1249 1243 CONECT 1250 1243 CONECT 1251 1242 CONECT 1252 1242 CONECT 1253 1241 CONECT 1254 1235 CONECT 1255 1235 CONECT 1256 1234 CONECT 1257 1234 CONECT 1258 1231 CONECT 1259 1229 CONECT 1260 1229 CONECT 1261 1228 CONECT 1262 1228 CONECT 1263 1227 CONECT 1264 1226 CONECT 1265 1225 CONECT 1266 1225 CONECT 1267 1224 CONECT 1268 1224 CONECT 1269 1218 CONECT 1270 1218 CONECT 1271 1218 MASTER 0 0 0 0 0 0 0 0 1270 1 58 11 END
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Structure:
Ligand 2D
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Protein
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Related entries of code: 5if6
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
5ier
RCSB PDB
PDBbind
132aa, >5IER_1|Chains... at 93%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
5ier
RCSB PDB
PDBbind
3QZ
Entry Information
PDB ID
5if6
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
OHP9_1c
Ligand Name
3QZ
EC.Number
E.C.-.-.-.-
Resolution
2.5(Å)
Affinity (Kd/Ki/IC50)
Kd=59nM
Release Year
2017
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Protein Sci. Vol. 26: pp. 2426-2437
Ligand Properties
Formula
C
2
1
H
3
0
O
3
Molecular Weight
330.461
Exact Mass
330.219
No. of atoms
54
No. of bonds
57
Polar Surface Area
54.37
LOGP Value
2.87 (
Computed with XLOGP3
)
3.84 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 3
No. of Rotatable Bonds: 2
No. of Nitrogen and Oxygen Atoms: 3
No. of Rings: 4
Canonical SMILES
O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(O)C(=O)C)C)C
InChI String
InChI=1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/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
No matched UniProt accession number (AC) found!
Entrez Gene ID
No matched NCBI Entrez Gene ID found!
ASD
Information of known allosteric effects of PDB entries
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