Browse entries in the PDBbind-CN Database
HEADER 6CN8_COMPLEX COMPND 6CN8_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 152 MET PHE GLU ARG PHE THR ASP ARG ALA ARG ARG VAL VAL SEQRES 2 A 152 VAL LEU ALA GLN GLU GLU ALA ARG MET LEU ASN HIS ASN SEQRES 3 A 152 TYR ILE GLY THR GLU HIS ILE LEU LEU GLY LEU ILE HIS SEQRES 4 A 152 GLU GLY GLU GLY VAL ALA ALA LYS SER LEU GLU SER LEU SEQRES 5 A 152 GLY ILE SER LEU GLU GLY VAL ARG SER GLN VAL GLU GLU SEQRES 6 A 152 ILE ILE GLY GLN GLY GLN GLN ALA PRO SER GLY HIS ILE SEQRES 7 A 152 PRO PHE THR PRO ARG ALA LYS LYS VAL LEU GLU LEU SER SEQRES 8 A 152 LEU ARG GLU ALA LEU GLN LEU GLY HIS ASN TYR ILE GLY SEQRES 9 A 152 THR GLU HIS ILE LEU LEU GLY LEU ILE ARG GLU GLY GLU SEQRES 10 A 152 GLY VAL ALA ALA GLN VAL LEU VAL LYS LEU GLY ALA GLU SEQRES 11 A 152 LEU THR ARG VAL ARG GLN GLN VAL ILE GLN LEU LEU SER SEQRES 12 A 152 GLY TYR LYS LEU ALA ALA ALA LEU GLU HET NA A 1 1 HET NA A 2 1 HET NA A 3 1 HET NA A 4 1 HET F A 7P 151 ATOM 1 N MET A 1 -20.544 15.397 -27.175 1.00 29.74 N ATOM 2 CA MET A 1 -20.406 16.875 -27.348 1.00 27.54 C ATOM 3 C MET A 1 -20.544 17.587 -25.995 1.00 24.84 C ATOM 4 O MET A 1 -21.383 17.206 -25.178 1.00 22.97 O ATOM 5 CB MET A 1 -21.498 17.414 -28.282 1.00 28.40 C ATOM 6 CG MET A 1 -21.494 16.871 -29.715 1.00 34.44 C ATOM 7 SD MET A 1 -19.941 17.275 -30.529 1.00 60.67 S ATOM 8 CE MET A 1 -19.917 19.058 -30.631 1.00 74.77 C ATOM 9 HN3 MET A 1 -21.478 15.182 -26.772 1.00 0.00 H ATOM 10 HN2 MET A 1 -19.801 15.053 -26.533 1.00 0.00 H ATOM 11 HN1 MET A 1 -20.448 14.931 -28.100 1.00 0.00 H ATOM 12 N PHE A 2 -19.738 18.632 -25.766 1.00 23.74 N ATOM 13 CA PHE A 2 -19.739 19.308 -24.471 1.00 21.46 C ATOM 14 C PHE A 2 -21.082 19.945 -24.141 1.00 22.61 C ATOM 15 O PHE A 2 -21.410 20.094 -22.956 1.00 21.24 O ATOM 16 CB PHE A 2 -18.600 20.338 -24.391 1.00 20.79 C ATOM 17 CG PHE A 2 -17.216 19.730 -24.373 1.00 19.52 C ATOM 18 CD1 PHE A 2 -16.943 18.596 -23.629 1.00 19.65 C ATOM 19 CD2 PHE A 2 -16.188 20.317 -25.084 1.00 19.66 C ATOM 20 CE1 PHE A 2 -15.662 18.050 -23.624 1.00 19.12 C ATOM 21 CE2 PHE A 2 -14.927 19.784 -25.081 1.00 19.35 C ATOM 22 CZ PHE A 2 -14.663 18.649 -24.347 1.00 18.92 C ATOM 23 H PHE A 2 -19.104 18.966 -26.519 1.00 0.00 H ATOM 24 N GLU A 3 -21.877 20.300 -25.150 1.00 26.62 N ATOM 25 CA GLU A 3 -23.198 20.860 -24.894 1.00 30.27 C ATOM 26 C GLU A 3 -24.062 19.905 -24.082 1.00 26.45 C ATOM 27 O GLU A 3 -24.935 20.348 -23.330 1.00 25.77 O ATOM 28 CB GLU A 3 -23.875 21.193 -26.231 1.00 38.23 C ATOM 29 CG GLU A 3 -24.035 19.990 -27.176 1.00 45.80 C ATOM 30 CD GLU A 3 -24.528 20.384 -28.568 1.00 51.66 C ATOM 31 OE1 GLU A 3 -24.892 21.565 -28.757 1.00 53.73 O ATOM 32 OE2 GLU A 3 -24.549 19.517 -29.476 1.00 53.54 O ATOM 33 H GLU A 3 -21.551 20.176 -26.130 1.00 0.00 H ATOM 34 N ARG A 4 -23.832 18.599 -24.208 1.00 22.73 N ATOM 35 CA ARG A 4 -24.618 17.608 -23.479 1.00 22.96 C ATOM 36 C ARG A 4 -24.008 17.207 -22.150 1.00 19.04 C ATOM 37 O ARG A 4 -24.637 16.438 -21.412 1.00 18.66 O ATOM 38 CB ARG A 4 -24.774 16.336 -24.317 1.00 29.17 C ATOM 39 CG ARG A 4 -25.304 16.624 -25.682 1.00 35.62 C ATOM 40 CD ARG A 4 -26.263 15.573 -26.151 1.00 40.79 C ATOM 41 NE ARG A 4 -25.590 14.567 -26.943 1.00 44.89 N ATOM 42 CZ ARG A 4 -25.105 14.762 -28.169 1.00 47.70 C ATOM 43 NH1 ARG A 4 -25.191 15.933 -28.797 1.00 47.88 N ATOM 44 NH2 ARG A 4 -24.520 13.753 -28.764 1.00 49.30 N ATOM 45 HE ARG A 4 -25.476 13.622 -26.525 1.00 0.00 H ATOM 46 HH12 ARG A 4 -24.798 16.040 -29.754 1.00 0.00 H ATOM 47 HH11 ARG A 4 -25.651 16.741 -28.330 1.00 0.00 H ATOM 48 HH22 ARG A 4 -24.130 13.869 -29.721 1.00 0.00 H ATOM 49 HH21 ARG A 4 -24.445 12.836 -28.280 1.00 0.00 H ATOM 50 H ARG A 4 -23.073 18.277 -24.842 1.00 0.00 H ATOM 51 N PHE A 5 -22.802 17.666 -21.847 1.00 18.57 N ATOM 52 CA PHE A 5 -22.165 17.331 -20.581 1.00 18.21 C ATOM 53 C PHE A 5 -22.919 18.012 -19.443 1.00 17.94 C ATOM 54 O PHE A 5 -23.347 19.165 -19.555 1.00 21.20 O ATOM 55 CB PHE A 5 -20.719 17.840 -20.558 1.00 18.08 C ATOM 56 CG PHE A 5 -19.705 16.917 -21.198 1.00 17.09 C ATOM 57 CD1 PHE A 5 -19.966 16.270 -22.401 1.00 17.28 C ATOM 58 CD2 PHE A 5 -18.441 16.747 -20.627 1.00 18.07 C ATOM 59 CE1 PHE A 5 -19.017 15.429 -22.985 1.00 18.19 C ATOM 60 CE2 PHE A 5 -17.497 15.903 -21.211 1.00 17.72 C ATOM 61 CZ PHE A 5 -17.793 15.235 -22.379 1.00 17.66 C ATOM 62 H PHE A 5 -22.302 18.276 -22.525 1.00 0.00 H ATOM 63 N THR A 6 -23.080 17.297 -18.339 1.00 17.60 N ATOM 64 CA THR A 6 -23.573 17.927 -17.121 1.00 17.13 C ATOM 65 C THR A 6 -22.540 18.936 -16.616 1.00 17.76 C ATOM 66 O THR A 6 -21.380 18.933 -17.023 1.00 17.63 O ATOM 67 CB THR A 6 -23.790 16.884 -16.027 1.00 17.69 C ATOM 68 OG1 THR A 6 -22.509 16.351 -15.669 1.00 18.01 O ATOM 69 CG2 THR A 6 -24.727 15.759 -16.478 1.00 18.92 C ATOM 70 HG1 THR A 6 -21.930 17.082 -15.337 1.00 0.00 H ATOM 71 H THR A 6 -22.854 16.282 -18.342 1.00 0.00 H ATOM 72 N ASP A 7 -22.962 19.794 -15.689 1.00 19.06 N ATOM 73 CA ASP A 7 -22.025 20.729 -15.082 1.00 21.18 C ATOM 74 C ASP A 7 -20.856 19.993 -14.434 1.00 20.12 C ATOM 75 O ASP A 7 -19.702 20.430 -14.524 1.00 19.72 O ATOM 76 CB ASP A 7 -22.732 21.578 -14.024 1.00 23.23 C ATOM 77 CG ASP A 7 -23.657 22.620 -14.616 1.00 26.84 C ATOM 78 OD1 ASP A 7 -23.650 22.806 -15.842 1.00 28.33 O ATOM 79 OD2 ASP A 7 -24.399 23.259 -13.834 1.00 29.79 O ATOM 80 H ASP A 7 -23.961 19.796 -15.399 1.00 0.00 H ATOM 81 N ARG A 8 -21.135 18.872 -13.771 1.00 21.64 N ATOM 82 CA ARG A 8 -20.083 18.120 -13.098 1.00 28.79 C ATOM 83 C ARG A 8 -19.102 17.532 -14.103 1.00 36.93 C ATOM 84 O ARG A 8 -17.888 17.521 -13.870 1.00 58.90 O ATOM 85 CB ARG A 8 -20.737 17.011 -12.284 1.00 29.85 C ATOM 86 CG ARG A 8 -19.873 16.382 -11.251 1.00 32.27 C ATOM 87 CD ARG A 8 -20.632 15.254 -10.532 1.00 34.90 C ATOM 88 NE ARG A 8 -21.848 15.700 -9.851 1.00 36.98 N ATOM 89 CZ ARG A 8 -21.865 16.387 -8.712 1.00 38.96 C ATOM 90 NH1 ARG A 8 -23.017 16.745 -8.157 1.00 40.11 N ATOM 91 NH2 ARG A 8 -20.728 16.742 -8.132 1.00 39.55 N ATOM 92 HE ARG A 8 -22.762 15.464 -10.288 1.00 0.00 H ATOM 93 HH12 ARG A 8 -23.020 17.282 -7.266 1.00 0.00 H ATOM 94 HH11 ARG A 8 -23.916 16.488 -8.613 1.00 0.00 H ATOM 95 HH22 ARG A 8 -20.744 17.279 -7.242 1.00 0.00 H ATOM 96 HH21 ARG A 8 -19.819 16.484 -8.567 1.00 0.00 H ATOM 97 H ARG A 8 -22.116 18.529 -13.733 1.00 0.00 H ATOM 98 N ALA A 9 -19.620 17.024 -15.219 1.00 23.55 N ATOM 99 CA ALA A 9 -18.755 16.468 -16.255 1.00 19.52 C ATOM 100 C ALA A 9 -17.911 17.549 -16.921 1.00 17.71 C ATOM 101 O ALA A 9 -16.744 17.304 -17.252 1.00 16.64 O ATOM 102 CB ALA A 9 -19.601 15.724 -17.286 1.00 19.50 C ATOM 103 H ALA A 9 -20.651 17.023 -15.354 1.00 0.00 H ATOM 104 N ARG A 10 -18.454 18.759 -17.100 1.00 16.89 N ATOM 105 CA ARG A 10 -17.617 19.857 -17.574 1.00 18.07 C ATOM 106 C ARG A 10 -16.504 20.158 -16.578 1.00 17.39 C ATOM 107 O ARG A 10 -15.355 20.403 -16.969 1.00 18.64 O ATOM 108 CB ARG A 10 -18.464 21.103 -17.824 1.00 20.21 C ATOM 109 CG ARG A 10 -19.426 20.975 -18.977 1.00 23.36 C ATOM 110 CD ARG A 10 -20.194 22.268 -19.152 1.00 31.03 C ATOM 111 NE ARG A 10 -21.179 22.150 -20.208 1.00 37.79 N ATOM 112 CZ ARG A 10 -22.487 22.003 -20.027 1.00 41.62 C ATOM 113 NH1 ARG A 10 -23.020 21.956 -18.802 1.00 42.99 N ATOM 114 NH2 ARG A 10 -23.264 21.905 -21.094 1.00 42.65 N ATOM 115 HE ARG A 10 -20.834 22.183 -21.188 1.00 0.00 H ATOM 116 HH12 ARG A 10 -24.047 21.840 -18.686 1.00 0.00 H ATOM 117 HH11 ARG A 10 -22.408 22.035 -17.965 1.00 0.00 H ATOM 118 HH22 ARG A 10 -24.291 21.789 -20.980 1.00 0.00 H ATOM 119 HH21 ARG A 10 -22.847 21.944 -22.046 1.00 0.00 H ATOM 120 H ARG A 10 -19.463 18.916 -16.903 1.00 0.00 H ATOM 121 N ARG A 11 -16.822 20.140 -15.285 1.00 17.92 N ATOM 122 CA ARG A 11 -15.799 20.365 -14.269 1.00 18.95 C ATOM 123 C ARG A 11 -14.690 19.320 -14.348 1.00 18.28 C ATOM 124 O ARG A 11 -13.518 19.639 -14.137 1.00 18.36 O ATOM 125 CB ARG A 11 -16.431 20.403 -12.876 1.00 22.94 C ATOM 126 CG ARG A 11 -15.437 20.528 -11.732 1.00 29.94 C ATOM 127 CD ARG A 11 -15.517 21.873 -10.997 1.00 35.73 C ATOM 128 NE ARG A 11 -14.465 21.991 -9.984 1.00 39.19 N ATOM 129 CZ ARG A 11 -14.433 21.276 -8.859 1.00 41.36 C ATOM 130 NH1 ARG A 11 -15.395 20.387 -8.600 1.00 38.91 N ATOM 131 NH2 ARG A 11 -13.433 21.438 -7.996 1.00 43.40 N ATOM 132 HE ARG A 11 -13.698 22.673 -10.152 1.00 0.00 H ATOM 133 HH12 ARG A 11 -15.367 19.831 -7.721 1.00 0.00 H ATOM 134 HH11 ARG A 11 -16.173 20.250 -9.277 1.00 0.00 H ATOM 135 HH22 ARG A 11 -13.408 20.880 -7.118 1.00 0.00 H ATOM 136 HH21 ARG A 11 -12.677 22.122 -8.199 1.00 0.00 H ATOM 137 H ARG A 11 -17.806 19.964 -14.997 1.00 0.00 H ATOM 138 N VAL A 12 -15.033 18.066 -14.656 1.00 17.42 N ATOM 139 CA VAL A 12 -14.005 17.033 -14.830 1.00 16.69 C ATOM 140 C VAL A 12 -12.980 17.466 -15.868 1.00 16.61 C ATOM 141 O VAL A 12 -11.772 17.312 -15.670 1.00 17.21 O ATOM 142 CB VAL A 12 -14.646 15.683 -15.209 1.00 17.07 C ATOM 143 CG1 VAL A 12 -13.592 14.710 -15.735 1.00 16.80 C ATOM 144 CG2 VAL A 12 -15.377 15.084 -14.044 1.00 17.83 C ATOM 145 H VAL A 12 -16.037 17.820 -14.773 1.00 0.00 H ATOM 146 N VAL A 13 -13.447 17.988 -17.005 1.00 16.65 N ATOM 147 CA VAL A 13 -12.538 18.429 -18.063 1.00 17.40 C ATOM 148 C VAL A 13 -11.668 19.588 -17.588 1.00 17.67 C ATOM 149 O VAL A 13 -10.457 19.608 -17.821 1.00 17.88 O ATOM 150 CB VAL A 13 -13.336 18.788 -19.333 1.00 17.80 C ATOM 151 CG1 VAL A 13 -12.398 19.308 -20.408 1.00 19.11 C ATOM 152 CG2 VAL A 13 -14.122 17.574 -19.826 1.00 19.25 C ATOM 153 H VAL A 13 -14.474 18.083 -17.141 1.00 0.00 H ATOM 154 N VAL A 14 -12.274 20.583 -16.943 1.00 18.39 N ATOM 155 CA VAL A 14 -11.515 21.715 -16.421 1.00 19.03 C ATOM 156 C VAL A 14 -10.458 21.239 -15.434 1.00 18.29 C ATOM 157 O VAL A 14 -9.308 21.689 -15.464 1.00 18.25 O ATOM 158 CB VAL A 14 -12.474 22.733 -15.782 1.00 19.67 C ATOM 159 CG1 VAL A 14 -11.704 23.830 -15.049 1.00 20.90 C ATOM 160 CG2 VAL A 14 -13.373 23.338 -16.858 1.00 20.83 C ATOM 161 H VAL A 14 -13.305 20.553 -16.809 1.00 0.00 H ATOM 162 N LEU A 15 -10.828 20.310 -14.548 1.00 18.27 N ATOM 163 CA LEU A 15 -9.864 19.787 -13.591 1.00 18.19 C ATOM 164 C LEU A 15 -8.794 18.944 -14.264 1.00 17.29 C ATOM 165 O LEU A 15 -7.643 18.945 -13.819 1.00 17.77 O ATOM 166 CB LEU A 15 -10.563 18.983 -12.505 1.00 17.53 C ATOM 167 CG LEU A 15 -11.417 19.824 -11.548 1.00 19.39 C ATOM 168 CD1 LEU A 15 -12.266 18.910 -10.686 1.00 21.26 C ATOM 169 CD2 LEU A 15 -10.570 20.748 -10.688 1.00 20.72 C ATOM 170 H LEU A 15 -11.807 19.960 -14.542 1.00 0.00 H ATOM 171 N ALA A 16 -9.146 18.192 -15.314 1.00 17.07 N ATOM 172 CA ALA A 16 -8.130 17.435 -16.038 1.00 16.85 C ATOM 173 C ALA A 16 -7.047 18.366 -16.574 1.00 16.72 C ATOM 174 O ALA A 16 -5.850 18.057 -16.517 1.00 17.58 O ATOM 175 CB ALA A 16 -8.766 16.641 -17.177 1.00 17.12 C ATOM 176 H ALA A 16 -10.141 18.147 -15.613 1.00 0.00 H ATOM 177 N GLN A 17 -7.454 19.518 -17.104 1.00 16.61 N ATOM 178 CA GLN A 17 -6.476 20.482 -17.593 1.00 18.66 C ATOM 179 C GLN A 17 -5.606 21.009 -16.462 1.00 19.13 C ATOM 180 O GLN A 17 -4.388 21.120 -16.624 1.00 18.55 O ATOM 181 CB GLN A 17 -7.178 21.616 -18.322 1.00 18.51 C ATOM 182 CG GLN A 17 -6.240 22.688 -18.819 1.00 18.61 C ATOM 183 CD GLN A 17 -6.950 23.668 -19.703 1.00 19.89 C ATOM 184 OE1 GLN A 17 -6.815 23.620 -20.918 1.00 20.60 O ATOM 185 NE2 GLN A 17 -7.722 24.571 -19.098 1.00 21.72 N ATOM 186 HE22 GLN A 17 -7.806 24.573 -18.061 1.00 0.00 H ATOM 187 HE21 GLN A 17 -8.241 25.274 -19.663 1.00 0.00 H ATOM 188 H GLN A 17 -8.470 19.730 -17.169 1.00 0.00 H ATOM 189 N GLU A 18 -6.206 21.328 -15.306 1.00 19.52 N ATOM 190 CA GLU A 18 -5.411 21.778 -14.157 1.00 19.72 C ATOM 191 C GLU A 18 -4.418 20.709 -13.725 1.00 19.08 C ATOM 192 O GLU A 18 -3.287 21.022 -13.337 1.00 19.55 O ATOM 193 CB GLU A 18 -6.298 22.156 -12.970 1.00 21.42 C ATOM 194 CG GLU A 18 -7.186 23.372 -13.188 1.00 28.27 C ATOM 195 CD GLU A 18 -8.029 23.711 -11.952 1.00 44.69 C ATOM 196 OE1 GLU A 18 -7.816 23.093 -10.886 1.00 39.16 O ATOM 197 OE2 GLU A 18 -8.910 24.593 -12.045 1.00 39.38 O ATOM 198 H GLU A 18 -7.240 21.256 -15.223 1.00 0.00 H ATOM 199 N GLU A 19 -4.829 19.439 -13.759 1.00 18.30 N ATOM 200 CA GLU A 19 -3.945 18.363 -13.327 1.00 18.33 C ATOM 201 C GLU A 19 -2.760 18.207 -14.270 1.00 19.49 C ATOM 202 O GLU A 19 -1.634 17.976 -13.818 1.00 20.35 O ATOM 203 CB GLU A 19 -4.732 17.061 -13.201 1.00 18.47 C ATOM 204 CG GLU A 19 -5.758 17.050 -12.073 1.00 19.41 C ATOM 205 CD GLU A 19 -5.169 16.798 -10.679 1.00 20.36 C ATOM 206 OE1 GLU A 19 -4.063 16.219 -10.551 1.00 20.30 O ATOM 207 OE2 GLU A 19 -5.854 17.149 -9.700 1.00 22.08 O ATOM 208 H GLU A 19 -5.787 19.216 -14.096 1.00 0.00 H ATOM 209 N ALA A 20 -2.995 18.315 -15.581 1.00 18.50 N ATOM 210 CA ALA A 20 -1.886 18.299 -16.528 1.00 18.96 C ATOM 211 C ALA A 20 -0.955 19.477 -16.282 1.00 21.79 C ATOM 212 O ALA A 20 0.271 19.327 -16.295 1.00 25.54 O ATOM 213 CB ALA A 20 -2.431 18.331 -17.956 1.00 19.46 C ATOM 214 H ALA A 20 -3.971 18.411 -15.927 1.00 0.00 H ATOM 215 N ARG A 21 -1.520 20.659 -16.052 1.00 20.38 N ATOM 216 CA ARG A 21 -0.691 21.835 -15.818 1.00 21.68 C ATOM 217 C ARG A 21 0.196 21.657 -14.592 1.00 21.88 C ATOM 218 O ARG A 21 1.372 22.027 -14.614 1.00 22.65 O ATOM 219 CB ARG A 21 -1.570 23.080 -15.677 1.00 21.90 C ATOM 220 CG ARG A 21 -0.786 24.367 -15.934 1.00 22.36 C ATOM 221 CD ARG A 21 -1.583 25.634 -15.753 1.00 23.11 C ATOM 222 NE ARG A 21 -2.903 25.587 -16.361 1.00 24.41 N ATOM 223 CZ ARG A 21 -3.155 25.808 -17.647 1.00 24.46 C ATOM 224 NH1 ARG A 21 -2.182 26.074 -18.490 1.00 25.53 N ATOM 225 NH2 ARG A 21 -4.399 25.761 -18.096 1.00 25.54 N ATOM 226 HE ARG A 21 -3.710 25.364 -15.744 1.00 0.00 H ATOM 227 HH12 ARG A 21 -2.395 26.245 -19.493 1.00 0.00 H ATOM 228 HH11 ARG A 21 -1.199 26.114 -18.153 1.00 0.00 H ATOM 229 HH22 ARG A 21 -4.595 25.934 -19.103 1.00 0.00 H ATOM 230 HH21 ARG A 21 -5.180 25.551 -17.442 1.00 0.00 H ATOM 231 H ARG A 21 -2.556 20.744 -16.039 1.00 0.00 H ATOM 232 N MET A 22 -0.352 21.113 -13.502 1.00 21.79 N ATOM 233 CA MET A 22 0.435 20.975 -12.283 1.00 23.49 C ATOM 234 C MET A 22 1.575 19.979 -12.453 1.00 23.93 C ATOM 235 O MET A 22 2.584 20.078 -11.746 1.00 25.45 O ATOM 236 CB MET A 22 -0.469 20.549 -11.130 1.00 26.92 C ATOM 237 CG MET A 22 -1.407 21.652 -10.667 1.00 29.64 C ATOM 238 SD MET A 22 -2.283 21.274 -9.132 1.00 32.76 S ATOM 239 CE MET A 22 -3.291 19.927 -9.713 1.00 31.39 C ATOM 240 H MET A 22 -1.340 20.788 -13.523 1.00 0.00 H ATOM 241 N LEU A 23 1.416 19.004 -13.347 1.00 23.44 N ATOM 242 CA LEU A 23 2.458 18.037 -13.678 1.00 23.34 C ATOM 243 C LEU A 23 3.397 18.538 -14.769 1.00 23.93 C ATOM 244 O LEU A 23 4.296 17.799 -15.186 1.00 24.47 O ATOM 245 CB LEU A 23 1.817 16.716 -14.136 1.00 23.74 C ATOM 246 CG LEU A 23 1.180 15.865 -13.035 1.00 25.58 C ATOM 247 CD1 LEU A 23 0.136 14.934 -13.615 1.00 25.04 C ATOM 248 CD2 LEU A 23 2.259 15.073 -12.326 1.00 27.63 C ATOM 249 H LEU A 23 0.501 18.928 -13.835 1.00 0.00 H ATOM 250 N ASN A 24 3.200 19.764 -15.251 1.00 23.22 N ATOM 251 CA ASN A 24 4.008 20.325 -16.333 1.00 24.70 C ATOM 252 C ASN A 24 3.920 19.471 -17.596 1.00 23.51 C ATOM 253 O ASN A 24 4.923 19.222 -18.268 1.00 25.22 O ATOM 254 CB ASN A 24 5.472 20.525 -15.931 1.00 26.38 C ATOM 255 CG ASN A 24 5.655 21.501 -14.780 1.00 29.39 C ATOM 256 OD1 ASN A 24 4.776 22.301 -14.459 1.00 30.63 O ATOM 257 ND2 ASN A 24 6.828 21.449 -14.173 1.00 32.21 N ATOM 258 HD22 ASN A 24 7.541 20.756 -14.478 1.00 0.00 H ATOM 259 HD21 ASN A 24 7.038 22.101 -13.390 1.00 0.00 H ATOM 260 H ASN A 24 2.441 20.345 -14.841 1.00 0.00 H ATOM 261 N HIS A 25 2.722 18.990 -17.908 1.00 20.91 N ATOM 262 CA HIS A 25 2.496 18.168 -19.087 1.00 19.53 C ATOM 263 C HIS A 25 1.816 18.991 -20.164 1.00 20.61 C ATOM 264 O HIS A 25 0.917 19.782 -19.872 1.00 22.99 O ATOM 265 CB HIS A 25 1.648 16.957 -18.725 1.00 19.16 C ATOM 266 CG HIS A 25 2.396 15.933 -17.933 1.00 19.78 C ATOM 267 ND1 HIS A 25 1.775 14.919 -17.239 1.00 20.36 N ATOM 268 CD2 HIS A 25 3.723 15.795 -17.695 1.00 21.28 C ATOM 269 CE1 HIS A 25 2.688 14.182 -16.632 1.00 21.42 C ATOM 270 NE2 HIS A 25 3.877 14.694 -16.894 1.00 21.71 N ATOM 271 H HIS A 25 1.917 19.209 -17.287 1.00 0.00 H ATOM 272 N ASN A 26 2.238 18.798 -21.418 1.00 20.20 N ATOM 273 CA ASN A 26 1.809 19.675 -22.498 1.00 21.61 C ATOM 274 C ASN A 26 0.633 19.132 -23.301 1.00 19.15 C ATOM 275 O ASN A 26 0.163 19.807 -24.212 1.00 19.18 O ATOM 276 CB ASN A 26 2.973 20.068 -23.395 1.00 26.89 C ATOM 277 CG ASN A 26 3.649 18.914 -24.031 1.00 30.00 C ATOM 278 OD1 ASN A 26 3.459 17.758 -23.638 1.00 31.62 O ATOM 279 ND2 ASN A 26 4.511 19.217 -24.997 1.00 32.19 N ATOM 280 HD22 ASN A 26 4.635 20.207 -25.292 1.00 0.00 H ATOM 281 HD21 ASN A 26 5.062 18.464 -25.458 1.00 0.00 H ATOM 282 H ASN A 26 2.883 18.009 -21.625 1.00 0.00 H ATOM 283 N TYR A 27 0.127 17.956 -22.945 1.00 16.91 N ATOM 284 CA TYR A 27 -1.132 17.428 -23.456 1.00 16.10 C ATOM 285 C TYR A 27 -1.914 16.842 -22.293 1.00 16.47 C ATOM 286 O TYR A 27 -1.331 16.312 -21.342 1.00 17.43 O ATOM 287 CB TYR A 27 -0.934 16.325 -24.515 1.00 16.37 C ATOM 288 CG TYR A 27 -0.492 16.834 -25.872 1.00 15.78 C ATOM 289 CD1 TYR A 27 0.855 17.024 -26.171 1.00 16.57 C ATOM 290 CD2 TYR A 27 -1.419 17.139 -26.856 1.00 15.86 C ATOM 291 CE1 TYR A 27 1.242 17.494 -27.422 1.00 16.48 C ATOM 292 CE2 TYR A 27 -1.036 17.608 -28.094 1.00 16.17 C ATOM 293 CZ TYR A 27 0.287 17.772 -28.390 1.00 15.96 C ATOM 294 OH TYR A 27 0.664 18.248 -29.637 1.00 16.53 O ATOM 295 HH TYR A 27 0.273 19.147 -29.778 1.00 0.00 H ATOM 296 H TYR A 27 0.660 17.379 -22.263 1.00 0.00 H ATOM 297 N ILE A 28 -3.236 16.922 -22.395 1.00 15.50 N ATOM 298 CA ILE A 28 -4.144 16.262 -21.464 1.00 15.34 C ATOM 299 C ILE A 28 -4.390 14.867 -22.008 1.00 14.86 C ATOM 300 O ILE A 28 -5.061 14.702 -23.032 1.00 16.25 O ATOM 301 CB ILE A 28 -5.467 17.022 -21.341 1.00 15.95 C ATOM 302 CG1 ILE A 28 -5.251 18.436 -20.838 1.00 16.31 C ATOM 303 CG2 ILE A 28 -6.460 16.250 -20.466 1.00 16.63 C ATOM 304 CD1 ILE A 28 -6.513 19.233 -20.871 1.00 17.11 C ATOM 305 H ILE A 28 -3.641 17.480 -23.173 1.00 0.00 H ATOM 306 N GLY A 29 -3.845 13.853 -21.340 1.00 15.17 N ATOM 307 CA GLY A 29 -4.057 12.481 -21.730 1.00 15.33 C ATOM 308 C GLY A 29 -5.125 11.821 -20.876 1.00 14.43 C ATOM 309 O GLY A 29 -5.716 12.427 -19.984 1.00 14.62 O ATOM 310 H GLY A 29 -3.249 14.056 -20.512 1.00 0.00 H ATOM 311 N THR A 30 -5.371 10.538 -21.163 1.00 13.92 N ATOM 312 CA THR A 30 -6.345 9.802 -20.371 1.00 14.21 C ATOM 313 C THR A 30 -5.985 9.830 -18.897 1.00 14.87 C ATOM 314 O THR A 30 -6.883 9.839 -18.047 1.00 14.73 O ATOM 315 CB THR A 30 -6.527 8.362 -20.871 1.00 13.72 C ATOM 316 OG1 THR A 30 -5.327 7.606 -20.656 1.00 14.57 O ATOM 317 CG2 THR A 30 -6.959 8.303 -22.341 1.00 14.94 C ATOM 318 HG1 THR A 30 -5.458 6.681 -20.983 1.00 0.00 H ATOM 319 H THR A 30 -4.870 10.070 -21.946 1.00 0.00 H ATOM 320 N GLU A 31 -4.679 9.856 -18.572 1.00 14.78 N ATOM 321 CA GLU A 31 -4.263 9.906 -17.172 1.00 15.43 C ATOM 322 C GLU A 31 -4.765 11.169 -16.484 1.00 14.56 C ATOM 323 O GLU A 31 -5.074 11.143 -15.285 1.00 16.09 O ATOM 324 CB GLU A 31 -2.737 9.768 -17.054 1.00 16.82 C ATOM 325 CG GLU A 31 -1.874 10.882 -17.664 1.00 17.59 C ATOM 326 CD GLU A 31 -1.502 10.670 -19.125 1.00 18.12 C ATOM 327 OE1 GLU A 31 -2.300 10.106 -19.904 1.00 16.39 O ATOM 328 OE2 GLU A 31 -0.371 11.075 -19.490 1.00 21.73 O ATOM 329 H GLU A 31 -3.960 9.840 -19.323 1.00 0.00 H ATOM 330 N HIS A 32 -4.819 12.281 -17.210 1.00 14.73 N ATOM 331 CA HIS A 32 -5.325 13.535 -16.655 1.00 14.31 C ATOM 332 C HIS A 32 -6.845 13.544 -16.583 1.00 15.35 C ATOM 333 O HIS A 32 -7.412 14.135 -15.653 1.00 16.10 O ATOM 334 CB HIS A 32 -4.773 14.720 -17.438 1.00 15.38 C ATOM 335 CG HIS A 32 -3.290 14.688 -17.567 1.00 15.69 C ATOM 336 ND1 HIS A 32 -2.657 14.400 -18.752 1.00 16.49 N ATOM 337 CD2 HIS A 32 -2.308 14.902 -16.657 1.00 16.44 C ATOM 338 CE1 HIS A 32 -1.350 14.425 -18.567 1.00 17.64 C ATOM 339 NE2 HIS A 32 -1.113 14.721 -17.302 1.00 17.57 N ATOM 340 H HIS A 32 -4.493 12.258 -18.197 1.00 0.00 H ATOM 341 N ILE A 33 -7.515 12.915 -17.548 1.00 14.99 N ATOM 342 CA ILE A 33 -8.953 12.714 -17.422 1.00 15.56 C ATOM 343 C ILE A 33 -9.253 11.936 -16.145 1.00 14.50 C ATOM 344 O ILE A 33 -10.159 12.286 -15.390 1.00 14.96 O ATOM 345 CB ILE A 33 -9.530 12.035 -18.682 1.00 15.72 C ATOM 346 CG1 ILE A 33 -9.389 12.951 -19.909 1.00 18.44 C ATOM 347 CG2 ILE A 33 -10.990 11.653 -18.452 1.00 15.84 C ATOM 348 CD1 ILE A 33 -9.906 12.368 -21.170 1.00 21.54 C ATOM 349 H ILE A 33 -7.012 12.568 -18.390 1.00 0.00 H ATOM 350 N LEU A 34 -8.480 10.878 -15.885 1.00 14.09 N ATOM 351 CA LEU A 34 -8.646 10.096 -14.669 1.00 13.84 C ATOM 352 C LEU A 34 -8.462 10.969 -13.439 1.00 14.36 C ATOM 353 O LEU A 34 -9.279 10.929 -12.515 1.00 15.21 O ATOM 354 CB LEU A 34 -7.660 8.930 -14.664 1.00 14.50 C ATOM 355 CG LEU A 34 -7.637 8.073 -13.399 1.00 15.75 C ATOM 356 CD1 LEU A 34 -8.996 7.473 -13.116 1.00 17.52 C ATOM 357 CD2 LEU A 34 -6.570 7.009 -13.517 1.00 16.88 C ATOM 358 H LEU A 34 -7.743 10.607 -16.567 1.00 0.00 H ATOM 359 N LEU A 35 -7.392 11.772 -13.417 1.00 15.02 N ATOM 360 CA LEU A 35 -7.181 12.673 -12.289 1.00 15.53 C ATOM 361 C LEU A 35 -8.354 13.640 -12.117 1.00 16.00 C ATOM 362 O LEU A 35 -8.758 13.945 -10.984 1.00 16.43 O ATOM 363 CB LEU A 35 -5.842 13.408 -12.440 1.00 16.12 C ATOM 364 CG LEU A 35 -4.580 12.551 -12.194 1.00 17.35 C ATOM 365 CD1 LEU A 35 -3.336 13.257 -12.723 1.00 18.11 C ATOM 366 CD2 LEU A 35 -4.443 12.274 -10.714 1.00 18.05 C ATOM 367 H LEU A 35 -6.711 11.754 -14.203 1.00 0.00 H ATOM 368 N GLY A 36 -8.880 14.171 -13.222 1.00 15.37 N ATOM 369 CA GLY A 36 -10.023 15.071 -13.123 1.00 16.18 C ATOM 370 C GLY A 36 -11.263 14.397 -12.563 1.00 16.17 C ATOM 371 O GLY A 36 -12.022 15.003 -11.800 1.00 16.69 O ATOM 372 H GLY A 36 -8.475 13.943 -14.153 1.00 0.00 H ATOM 373 N LEU A 37 -11.493 13.140 -12.957 1.00 15.53 N ATOM 374 CA LEU A 37 -12.632 12.388 -12.431 1.00 15.17 C ATOM 375 C LEU A 37 -12.538 12.242 -10.915 1.00 16.07 C ATOM 376 O LEU A 37 -13.538 12.383 -10.194 1.00 17.23 O ATOM 377 CB LEU A 37 -12.706 11.012 -13.099 1.00 15.00 C ATOM 378 CG LEU A 37 -13.155 10.992 -14.562 1.00 15.46 C ATOM 379 CD1 LEU A 37 -12.807 9.639 -15.198 1.00 16.24 C ATOM 380 CD2 LEU A 37 -14.633 11.306 -14.700 1.00 15.78 C ATOM 381 H LEU A 37 -10.855 12.692 -13.645 1.00 0.00 H ATOM 382 N ILE A 38 -11.338 11.935 -10.420 1.00 16.24 N ATOM 383 CA ILE A 38 -11.133 11.772 -8.981 1.00 17.35 C ATOM 384 C ILE A 38 -11.234 13.116 -8.286 1.00 18.48 C ATOM 385 O ILE A 38 -11.909 13.254 -7.256 1.00 19.99 O ATOM 386 CB ILE A 38 -9.772 11.110 -8.710 1.00 17.45 C ATOM 387 CG1 ILE A 38 -9.731 9.713 -9.323 1.00 17.86 C ATOM 388 CG2 ILE A 38 -9.489 11.071 -7.208 1.00 18.73 C ATOM 389 CD1 ILE A 38 -8.336 9.155 -9.434 1.00 18.84 C ATOM 390 H ILE A 38 -10.535 11.809 -11.068 1.00 0.00 H ATOM 391 N HIS A 39 -10.586 14.134 -8.857 1.00 18.43 N ATOM 392 CA HIS A 39 -10.543 15.450 -8.233 1.00 19.21 C ATOM 393 C HIS A 39 -11.947 16.038 -8.108 1.00 20.04 C ATOM 394 O HIS A 39 -12.274 16.686 -7.107 1.00 21.54 O ATOM 395 CB HIS A 39 -9.619 16.337 -9.075 1.00 20.68 C ATOM 396 CG HIS A 39 -9.242 17.642 -8.446 1.00 22.53 C ATOM 397 ND1 HIS A 39 -8.021 18.236 -8.675 1.00 24.46 N ATOM 398 CD2 HIS A 39 -9.928 18.488 -7.639 1.00 24.67 C ATOM 399 CE1 HIS A 39 -7.959 19.383 -8.015 1.00 25.65 C ATOM 400 NE2 HIS A 39 -9.102 19.557 -7.376 1.00 25.89 N ATOM 401 H HIS A 39 -10.102 13.985 -9.765 1.00 0.00 H ATOM 402 N GLU A 40 -12.807 15.775 -9.098 1.00 17.76 N ATOM 403 CA GLU A 40 -14.185 16.256 -9.042 1.00 19.11 C ATOM 404 C GLU A 40 -14.864 15.792 -7.762 1.00 20.78 C ATOM 405 O GLU A 40 -15.568 16.568 -7.103 1.00 23.34 O ATOM 406 CB GLU A 40 -14.939 15.796 -10.293 1.00 20.44 C ATOM 407 CG GLU A 40 -16.365 16.286 -10.382 1.00 21.36 C ATOM 408 CD GLU A 40 -17.354 15.469 -9.567 1.00 22.49 C ATOM 409 OE1 GLU A 40 -17.305 14.231 -9.612 1.00 22.19 O ATOM 410 OE2 GLU A 40 -18.221 16.063 -8.905 1.00 25.94 O ATOM 411 H GLU A 40 -12.490 15.220 -9.919 1.00 0.00 H ATOM 412 N GLY A 41 -14.665 14.526 -7.393 1.00 19.79 N ATOM 413 CA GLY A 41 -14.860 14.083 -6.037 1.00 20.88 C ATOM 414 C GLY A 41 -16.239 13.595 -5.670 1.00 21.94 C ATOM 415 O GLY A 41 -16.358 12.861 -4.692 1.00 25.37 O ATOM 416 H GLY A 41 -14.359 13.836 -8.108 1.00 0.00 H ATOM 417 N GLU A 42 -17.289 13.982 -6.390 1.00 21.44 N ATOM 418 CA GLU A 42 -18.650 13.724 -5.923 1.00 23.45 C ATOM 419 C GLU A 42 -19.508 12.889 -6.862 1.00 22.44 C ATOM 420 O GLU A 42 -20.519 12.329 -6.412 1.00 24.00 O ATOM 421 CB GLU A 42 -19.373 15.055 -5.665 1.00 28.96 C ATOM 422 CG GLU A 42 -18.666 15.958 -4.657 1.00 35.55 C ATOM 423 CD GLU A 42 -18.574 15.327 -3.281 1.00 40.74 C ATOM 424 OE1 GLU A 42 -19.532 14.629 -2.889 1.00 42.99 O ATOM 425 OE2 GLU A 42 -17.543 15.516 -2.595 1.00 42.98 O ATOM 426 H GLU A 42 -17.140 14.473 -7.294 1.00 0.00 H ATOM 427 N GLY A 43 -19.159 12.791 -8.131 1.00 19.59 N ATOM 428 CA GLY A 43 -19.976 12.056 -9.072 1.00 19.43 C ATOM 429 C GLY A 43 -19.804 10.543 -8.994 1.00 17.18 C ATOM 430 O GLY A 43 -19.024 9.988 -8.218 1.00 17.29 O ATOM 431 H GLY A 43 -18.285 13.248 -8.459 1.00 0.00 H ATOM 432 N VAL A 44 -20.569 9.867 -9.850 1.00 16.71 N ATOM 433 CA VAL A 44 -20.512 8.410 -9.960 1.00 16.38 C ATOM 434 C VAL A 44 -19.084 7.934 -10.206 1.00 15.23 C ATOM 435 O VAL A 44 -18.649 6.929 -9.642 1.00 15.25 O ATOM 436 CB VAL A 44 -21.468 7.937 -11.071 1.00 15.75 C ATOM 437 CG1 VAL A 44 -21.258 6.468 -11.411 1.00 15.88 C ATOM 438 CG2 VAL A 44 -22.935 8.180 -10.677 1.00 17.56 C ATOM 439 H VAL A 44 -21.228 10.392 -10.460 1.00 0.00 H ATOM 440 N ALA A 45 -18.350 8.617 -11.082 1.00 14.91 N ATOM 441 CA ALA A 45 -16.991 8.184 -11.394 1.00 14.05 C ATOM 442 C ALA A 45 -16.101 8.229 -10.158 1.00 13.95 C ATOM 443 O ALA A 45 -15.409 7.248 -9.829 1.00 14.86 O ATOM 444 CB ALA A 45 -16.414 9.040 -12.515 1.00 14.37 C ATOM 445 H ALA A 45 -18.745 9.460 -11.545 1.00 0.00 H ATOM 446 N ALA A 46 -16.100 9.360 -9.455 1.00 15.00 N ATOM 447 CA ALA A 46 -15.274 9.483 -8.261 1.00 15.82 C ATOM 448 C ALA A 46 -15.638 8.413 -7.241 1.00 16.31 C ATOM 449 O ALA A 46 -14.759 7.794 -6.632 1.00 17.18 O ATOM 450 CB ALA A 46 -15.422 10.880 -7.668 1.00 17.23 C ATOM 451 H ALA A 46 -16.692 10.159 -9.760 1.00 0.00 H ATOM 452 N LYS A 47 -16.940 8.188 -7.037 1.00 16.58 N ATOM 453 CA LYS A 47 -17.375 7.212 -6.043 1.00 17.31 C ATOM 454 C LYS A 47 -16.933 5.807 -6.432 1.00 16.05 C ATOM 455 O LYS A 47 -16.492 5.025 -5.587 1.00 16.80 O ATOM 456 CB LYS A 47 -18.898 7.259 -5.895 1.00 18.90 C ATOM 457 CG LYS A 47 -19.454 8.512 -5.216 1.00 22.50 C ATOM 458 CD LYS A 47 -20.987 8.447 -5.121 1.00 27.43 C ATOM 459 CE LYS A 47 -21.593 9.711 -4.532 1.00 31.69 C ATOM 460 NZ LYS A 47 -21.072 10.015 -3.175 1.00 35.61 N ATOM 461 HZ1 LYS A 47 -21.293 9.226 -2.535 1.00 0.00 H ATOM 462 HZ2 LYS A 47 -20.041 10.146 -3.222 1.00 0.00 H ATOM 463 HZ3 LYS A 47 -21.518 10.885 -2.821 1.00 0.00 H ATOM 464 H LYS A 47 -17.648 8.712 -7.590 1.00 0.00 H ATOM 465 N SER A 48 -17.058 5.469 -7.719 1.00 14.71 N ATOM 466 CA SER A 48 -16.664 4.139 -8.165 1.00 15.50 C ATOM 467 C SER A 48 -15.170 3.921 -7.967 1.00 15.26 C ATOM 468 O SER A 48 -14.751 2.850 -7.509 1.00 15.89 O ATOM 469 CB SER A 48 -17.057 3.935 -9.628 1.00 16.03 C ATOM 470 OG SER A 48 -16.199 4.652 -10.493 1.00 15.88 O ATOM 471 HG SER A 48 -16.253 5.618 -10.283 1.00 0.00 H ATOM 472 H SER A 48 -17.437 6.155 -8.402 1.00 0.00 H ATOM 473 N LEU A 49 -14.353 4.925 -8.287 1.00 15.32 N ATOM 474 CA LEU A 49 -12.911 4.775 -8.143 1.00 15.81 C ATOM 475 C LEU A 49 -12.512 4.677 -6.675 1.00 15.41 C ATOM 476 O LEU A 49 -11.680 3.841 -6.311 1.00 17.06 O ATOM 477 CB LEU A 49 -12.217 5.935 -8.847 1.00 15.71 C ATOM 478 CG LEU A 49 -12.401 5.934 -10.371 1.00 16.09 C ATOM 479 CD1 LEU A 49 -12.013 7.282 -10.948 1.00 17.22 C ATOM 480 CD2 LEU A 49 -11.584 4.819 -10.988 1.00 17.85 C ATOM 481 H LEU A 49 -14.747 5.820 -8.641 1.00 0.00 H ATOM 482 N GLU A 50 -13.100 5.512 -5.818 1.00 16.34 N ATOM 483 CA GLU A 50 -12.820 5.445 -4.384 1.00 17.90 C ATOM 484 C GLU A 50 -13.166 4.067 -3.825 1.00 17.31 C ATOM 485 O GLU A 50 -12.424 3.523 -2.999 1.00 18.10 O ATOM 486 CB GLU A 50 -13.620 6.542 -3.675 1.00 21.71 C ATOM 487 CG GLU A 50 -13.626 6.487 -2.155 1.00 26.61 C ATOM 488 CD GLU A 50 -12.398 7.087 -1.504 1.00 33.60 C ATOM 489 OE1 GLU A 50 -11.674 7.865 -2.154 1.00 36.03 O ATOM 490 OE2 GLU A 50 -12.178 6.788 -0.310 1.00 36.89 O ATOM 491 H GLU A 50 -13.769 6.223 -6.175 1.00 0.00 H ATOM 492 N SER A 51 -14.271 3.473 -4.289 1.00 17.04 N ATOM 493 CA SER A 51 -14.700 2.167 -3.794 1.00 16.63 C ATOM 494 C SER A 51 -13.715 1.058 -4.147 1.00 17.20 C ATOM 495 O SER A 51 -13.706 0.022 -3.481 1.00 18.45 O ATOM 496 CB SER A 51 -16.106 1.820 -4.297 1.00 17.56 C ATOM 497 OG SER A 51 -16.122 1.377 -5.647 1.00 19.03 O ATOM 498 HG SER A 51 -15.762 2.090 -6.231 1.00 0.00 H ATOM 499 H SER A 51 -14.837 3.951 -5.018 1.00 0.00 H ATOM 500 N LEU A 52 -12.849 1.272 -5.133 1.00 16.40 N ATOM 501 CA LEU A 52 -11.839 0.292 -5.491 1.00 17.43 C ATOM 502 C LEU A 52 -10.476 0.644 -4.920 1.00 18.29 C ATOM 503 O LEU A 52 -9.492 -0.014 -5.248 1.00 18.72 O ATOM 504 CB LEU A 52 -11.778 0.093 -7.010 1.00 17.28 C ATOM 505 CG LEU A 52 -13.039 -0.538 -7.638 1.00 18.12 C ATOM 506 CD1 LEU A 52 -12.992 -0.497 -9.175 1.00 19.16 C ATOM 507 CD2 LEU A 52 -13.257 -1.980 -7.152 1.00 20.39 C ATOM 508 H LEU A 52 -12.896 2.166 -5.662 1.00 0.00 H ATOM 509 N GLY A 53 -10.401 1.648 -4.045 1.00 17.40 N ATOM 510 CA GLY A 53 -9.158 1.967 -3.373 1.00 18.38 C ATOM 511 C GLY A 53 -8.223 2.848 -4.157 1.00 17.79 C ATOM 512 O GLY A 53 -7.029 2.881 -3.851 1.00 18.37 O ATOM 513 H GLY A 53 -11.251 2.212 -3.841 1.00 0.00 H ATOM 514 N ILE A 54 -8.735 3.577 -5.142 1.00 17.48 N ATOM 515 CA ILE A 54 -7.929 4.482 -5.963 1.00 17.35 C ATOM 516 C ILE A 54 -8.000 5.879 -5.363 1.00 18.97 C ATOM 517 O ILE A 54 -9.089 6.371 -5.048 1.00 22.80 O ATOM 518 CB ILE A 54 -8.437 4.486 -7.417 1.00 17.25 C ATOM 519 CG1 ILE A 54 -8.443 3.054 -7.989 1.00 17.40 C ATOM 520 CG2 ILE A 54 -7.596 5.397 -8.292 1.00 19.24 C ATOM 521 CD1 ILE A 54 -7.074 2.382 -8.011 1.00 20.35 C ATOM 522 H ILE A 54 -9.753 3.502 -5.339 1.00 0.00 H ATOM 523 N SER A 55 -6.847 6.512 -5.187 1.00 18.67 N ATOM 524 CA SER A 55 -6.777 7.841 -4.589 1.00 19.37 C ATOM 525 C SER A 55 -6.129 8.840 -5.537 1.00 19.50 C ATOM 526 O SER A 55 -5.354 8.484 -6.427 1.00 18.34 O ATOM 527 CB SER A 55 -5.982 7.831 -3.279 1.00 21.11 C ATOM 528 OG SER A 55 -4.599 7.662 -3.526 1.00 22.59 O ATOM 529 HG SER A 55 -4.451 6.802 -3.994 1.00 0.00 H ATOM 530 H SER A 55 -5.966 6.046 -5.485 1.00 0.00 H ATOM 531 N LEU A 56 -6.455 10.113 -5.315 1.00 19.06 N ATOM 532 CA LEU A 56 -5.853 11.189 -6.092 1.00 19.04 C ATOM 533 C LEU A 56 -4.332 11.168 -5.966 1.00 20.52 C ATOM 534 O LEU A 56 -3.617 11.284 -6.963 1.00 19.53 O ATOM 535 CB LEU A 56 -6.413 12.533 -5.622 1.00 21.18 C ATOM 536 CG LEU A 56 -6.036 13.751 -6.461 1.00 21.85 C ATOM 537 CD1 LEU A 56 -6.571 13.664 -7.853 1.00 22.15 C ATOM 538 CD2 LEU A 56 -6.573 15.008 -5.780 1.00 24.05 C ATOM 539 H LEU A 56 -7.150 10.342 -4.576 1.00 0.00 H ATOM 540 N GLU A 57 -3.815 11.018 -4.746 1.00 21.79 N ATOM 541 CA GLU A 57 -2.364 11.104 -4.598 1.00 24.02 C ATOM 542 C GLU A 57 -1.678 9.876 -5.177 1.00 22.70 C ATOM 543 O GLU A 57 -0.590 9.994 -5.744 1.00 22.58 O ATOM 544 CB GLU A 57 -1.960 11.369 -3.147 1.00 30.43 C ATOM 545 CG GLU A 57 -2.239 12.819 -2.686 1.00 36.17 C ATOM 546 CD GLU A 57 -1.551 13.947 -3.538 1.00 41.15 C ATOM 547 OE1 GLU A 57 -0.430 13.789 -4.065 1.00 41.95 O ATOM 548 OE2 GLU A 57 -2.150 15.027 -3.673 1.00 43.59 O ATOM 549 H GLU A 57 -4.427 10.845 -3.923 1.00 0.00 H ATOM 550 N GLY A 58 -2.329 8.713 -5.114 1.00 21.08 N ATOM 551 CA GLY A 58 -1.754 7.520 -5.713 1.00 21.07 C ATOM 552 C GLY A 58 -1.663 7.615 -7.223 1.00 19.98 C ATOM 553 O GLY A 58 -0.653 7.225 -7.820 1.00 20.65 O ATOM 554 H GLY A 58 -3.251 8.660 -4.635 1.00 0.00 H ATOM 555 N VAL A 59 -2.717 8.122 -7.867 1.00 17.98 N ATOM 556 CA VAL A 59 -2.671 8.298 -9.314 1.00 16.80 C ATOM 557 C VAL A 59 -1.625 9.351 -9.695 1.00 18.43 C ATOM 558 O VAL A 59 -0.860 9.164 -10.644 1.00 18.78 O ATOM 559 CB VAL A 59 -4.068 8.614 -9.867 1.00 16.79 C ATOM 560 CG1 VAL A 59 -3.995 8.926 -11.363 1.00 16.99 C ATOM 561 CG2 VAL A 59 -5.025 7.437 -9.588 1.00 17.28 C ATOM 562 H VAL A 59 -3.570 8.391 -7.337 1.00 0.00 H ATOM 563 N ARG A 60 -1.562 10.467 -8.959 1.00 19.96 N ATOM 564 CA ARG A 60 -0.550 11.481 -9.254 1.00 20.81 C ATOM 565 C ARG A 60 0.844 10.893 -9.155 1.00 22.39 C ATOM 566 O ARG A 60 1.702 11.157 -10.004 1.00 23.50 O ATOM 567 CB ARG A 60 -0.674 12.677 -8.312 1.00 21.20 C ATOM 568 CG ARG A 60 -1.811 13.614 -8.635 1.00 21.14 C ATOM 569 CD ARG A 60 -1.912 14.705 -7.587 1.00 23.09 C ATOM 570 NE ARG A 60 -2.973 15.666 -7.883 1.00 23.80 N ATOM 571 CZ ARG A 60 -3.411 16.571 -7.017 1.00 25.82 C ATOM 572 NH1 ARG A 60 -2.909 16.625 -5.796 1.00 27.74 N ATOM 573 NH2 ARG A 60 -4.379 17.403 -7.364 1.00 26.54 N ATOM 574 HE ARG A 60 -3.410 15.639 -8.827 1.00 0.00 H ATOM 575 HH12 ARG A 60 -3.257 17.337 -5.122 1.00 0.00 H ATOM 576 HH11 ARG A 60 -2.166 15.956 -5.509 1.00 0.00 H ATOM 577 HH22 ARG A 60 -4.723 18.113 -6.686 1.00 0.00 H ATOM 578 HH21 ARG A 60 -4.796 17.348 -8.315 1.00 0.00 H ATOM 579 H ARG A 60 -2.232 10.613 -8.178 1.00 0.00 H ATOM 580 N SER A 61 1.102 10.118 -8.097 1.00 23.44 N ATOM 581 CA SER A 61 2.417 9.509 -7.930 1.00 25.74 C ATOM 582 C SER A 61 2.741 8.568 -9.076 1.00 25.78 C ATOM 583 O SER A 61 3.870 8.556 -9.575 1.00 27.62 O ATOM 584 CB SER A 61 2.479 8.761 -6.605 1.00 29.17 C ATOM 585 OG SER A 61 2.410 9.664 -5.526 1.00 32.06 O ATOM 586 HG SER A 61 1.559 10.168 -5.573 1.00 0.00 H ATOM 587 H SER A 61 0.360 9.948 -7.388 1.00 0.00 H ATOM 588 N GLN A 62 1.770 7.756 -9.495 1.00 24.09 N ATOM 589 CA GLN A 62 2.022 6.824 -10.583 1.00 24.43 C ATOM 590 C GLN A 62 2.283 7.554 -11.889 1.00 24.30 C ATOM 591 O GLN A 62 3.164 7.160 -12.660 1.00 26.53 O ATOM 592 CB GLN A 62 0.843 5.866 -10.734 1.00 25.59 C ATOM 593 CG GLN A 62 0.822 4.772 -9.696 1.00 27.26 C ATOM 594 CD GLN A 62 2.063 3.913 -9.755 1.00 30.02 C ATOM 595 OE1 GLN A 62 2.567 3.600 -10.834 1.00 29.90 O ATOM 596 NE2 GLN A 62 2.588 3.557 -8.593 1.00 32.65 N ATOM 597 HE22 GLN A 62 2.128 3.844 -7.705 1.00 0.00 H ATOM 598 HE21 GLN A 62 3.460 2.991 -8.568 1.00 0.00 H ATOM 599 H GLN A 62 0.833 7.789 -9.044 1.00 0.00 H ATOM 600 N VAL A 63 1.529 8.616 -12.164 1.00 21.77 N ATOM 601 CA VAL A 63 1.776 9.377 -13.383 1.00 24.39 C ATOM 602 C VAL A 63 3.182 9.959 -13.370 1.00 28.82 C ATOM 603 O VAL A 63 3.894 9.922 -14.380 1.00 30.65 O ATOM 604 CB VAL A 63 0.694 10.453 -13.579 1.00 22.54 C ATOM 605 CG1 VAL A 63 1.072 11.388 -14.730 1.00 23.34 C ATOM 606 CG2 VAL A 63 -0.648 9.791 -13.864 1.00 21.61 C ATOM 607 H VAL A 63 0.769 8.901 -11.514 1.00 0.00 H ATOM 608 N GLU A 64 3.615 10.493 -12.227 1.00 32.71 N ATOM 609 CA GLU A 64 4.968 11.038 -12.140 1.00 38.81 C ATOM 610 C GLU A 64 6.018 9.951 -12.343 1.00 41.82 C ATOM 611 O GLU A 64 7.072 10.201 -12.939 1.00 43.18 O ATOM 612 CB GLU A 64 5.148 11.732 -10.793 1.00 41.81 C ATOM 613 CG GLU A 64 4.388 13.040 -10.703 1.00 45.32 C ATOM 614 CD GLU A 64 4.411 13.646 -9.319 1.00 48.85 C ATOM 615 OE1 GLU A 64 3.460 13.403 -8.544 1.00 49.93 O ATOM 616 OE2 GLU A 64 5.372 14.374 -9.019 1.00 49.93 O ATOM 617 H GLU A 64 2.989 10.522 -11.397 1.00 0.00 H ATOM 618 N GLU A 65 5.750 8.740 -11.857 1.00 44.03 N ATOM 619 CA GLU A 65 6.684 7.629 -12.004 1.00 47.12 C ATOM 620 C GLU A 65 6.665 7.002 -13.396 1.00 44.61 C ATOM 621 O GLU A 65 7.643 6.344 -13.778 1.00 45.35 O ATOM 622 CB GLU A 65 6.368 6.560 -10.955 1.00 52.44 C ATOM 623 CG GLU A 65 6.732 5.135 -11.365 1.00 57.29 C ATOM 624 CD GLU A 65 6.587 4.144 -10.227 1.00 61.24 C ATOM 625 OE1 GLU A 65 6.367 4.583 -9.076 1.00 62.35 O ATOM 626 OE2 GLU A 65 6.690 2.923 -10.484 1.00 62.84 O ATOM 627 H GLU A 65 4.851 8.582 -11.359 1.00 0.00 H ATOM 628 N ILE A 66 5.589 7.178 -14.156 1.00 41.14 N ATOM 629 CA ILE A 66 5.448 6.546 -15.462 1.00 38.01 C ATOM 630 C ILE A 66 5.802 7.503 -16.590 1.00 37.85 C ATOM 631 O ILE A 66 6.474 7.116 -17.548 1.00 37.32 O ATOM 632 CB ILE A 66 4.017 5.991 -15.629 1.00 36.20 C ATOM 633 CG1 ILE A 66 3.816 4.785 -14.713 1.00 35.98 C ATOM 634 CG2 ILE A 66 3.750 5.598 -17.090 1.00 35.48 C ATOM 635 CD1 ILE A 66 2.386 4.267 -14.646 1.00 36.22 C ATOM 636 H ILE A 66 4.822 7.787 -13.807 1.00 0.00 H ATOM 637 N ILE A 67 5.332 8.741 -16.491 1.00 37.73 N ATOM 638 CA ILE A 67 5.560 9.758 -17.502 1.00 38.88 C ATOM 639 C ILE A 67 6.707 10.670 -17.104 1.00 41.25 C ATOM 640 O ILE A 67 7.482 11.110 -17.953 1.00 42.58 O ATOM 641 CB ILE A 67 4.262 10.572 -17.712 1.00 37.25 C ATOM 642 CG1 ILE A 67 3.087 9.669 -18.112 1.00 36.45 C ATOM 643 CG2 ILE A 67 4.455 11.669 -18.746 1.00 37.30 C ATOM 644 CD1 ILE A 67 3.355 8.763 -19.305 1.00 35.72 C ATOM 645 H ILE A 67 4.775 8.994 -15.650 1.00 0.00 H ATOM 646 N GLY A 68 6.815 10.943 -15.813 1.00 41.87 N ATOM 647 CA GLY A 68 7.756 11.918 -15.324 1.00 43.41 C ATOM 648 C GLY A 68 7.101 13.276 -15.251 1.00 44.52 C ATOM 649 O GLY A 68 6.288 13.625 -16.108 1.00 44.05 O ATOM 650 H GLY A 68 6.206 10.441 -15.136 1.00 0.00 H ATOM 651 N GLN A 69 7.419 14.033 -14.207 1.00 45.95 N ATOM 652 CA GLN A 69 7.085 15.447 -14.187 1.00 47.20 C ATOM 653 C GLN A 69 7.761 16.137 -15.367 1.00 47.78 C ATOM 654 O GLN A 69 8.926 15.872 -15.676 1.00 47.89 O ATOM 655 CB GLN A 69 7.579 16.059 -12.876 1.00 48.27 C ATOM 656 CG GLN A 69 7.268 17.542 -12.696 1.00 48.77 C ATOM 657 CD GLN A 69 5.912 17.790 -12.061 1.00 48.72 C ATOM 658 OE1 GLN A 69 5.231 16.857 -11.630 1.00 48.63 O ATOM 659 NE2 GLN A 69 5.515 19.057 -11.997 1.00 48.59 N ATOM 660 HE22 GLN A 69 6.123 19.812 -12.374 1.00 0.00 H ATOM 661 HE21 GLN A 69 4.596 19.293 -11.570 1.00 0.00 H ATOM 662 H GLN A 69 7.912 13.609 -13.395 1.00 0.00 H ATOM 663 N GLY A 70 7.018 17.007 -16.039 1.00 47.65 N ATOM 664 CA GLY A 70 7.576 17.832 -17.087 1.00 47.76 C ATOM 665 C GLY A 70 8.457 18.922 -16.502 1.00 48.91 C ATOM 666 O GLY A 70 8.671 19.020 -15.293 1.00 48.66 O ATOM 667 H GLY A 70 6.009 17.098 -15.806 1.00 0.00 H ATOM 668 N GLN A 71 8.959 19.775 -17.392 1.00 49.97 N ATOM 669 CA GLN A 71 9.993 20.732 -17.022 1.00 50.99 C ATOM 670 C GLN A 71 9.492 22.157 -16.838 1.00 49.41 C ATOM 671 O GLN A 71 9.980 22.848 -15.944 1.00 48.29 O ATOM 672 CB GLN A 71 11.142 20.700 -18.039 1.00 53.34 C ATOM 673 CG GLN A 71 11.933 19.374 -18.040 1.00 55.51 C ATOM 674 CD GLN A 71 13.068 19.345 -17.016 1.00 57.47 C ATOM 675 OE1 GLN A 71 12.877 19.672 -15.842 1.00 57.88 O ATOM 676 NE2 GLN A 71 14.259 18.953 -17.465 1.00 58.19 N ATOM 677 HE22 GLN A 71 14.376 18.686 -18.463 1.00 0.00 H ATOM 678 HE21 GLN A 71 15.072 18.914 -16.817 1.00 0.00 H ATOM 679 H GLN A 71 8.606 19.758 -18.370 1.00 0.00 H ATOM 680 N GLN A 72 8.525 22.616 -17.635 1.00 48.50 N ATOM 681 CA GLN A 72 7.872 23.893 -17.387 1.00 48.53 C ATOM 682 C GLN A 72 6.365 23.708 -17.462 1.00 45.32 C ATOM 683 O GLN A 72 5.870 22.898 -18.250 1.00 44.58 O ATOM 684 CB GLN A 72 8.297 24.984 -18.385 1.00 52.21 C ATOM 685 CG GLN A 72 7.565 26.318 -18.167 1.00 55.62 C ATOM 686 CD GLN A 72 8.203 27.500 -18.899 1.00 58.79 C ATOM 687 OE1 GLN A 72 9.405 27.756 -18.774 1.00 60.15 O ATOM 688 NE2 GLN A 72 7.391 28.232 -19.660 1.00 59.65 N ATOM 689 HE22 GLN A 72 6.385 27.981 -19.737 1.00 0.00 H ATOM 690 HE21 GLN A 72 7.763 29.054 -20.177 1.00 0.00 H ATOM 691 H GLN A 72 8.231 22.047 -18.454 1.00 0.00 H ATOM 692 N ALA A 73 5.640 24.448 -16.633 1.00 43.42 N ATOM 693 CA ALA A 73 4.183 24.375 -16.670 1.00 41.78 C ATOM 694 C ALA A 73 3.682 25.098 -17.914 1.00 38.77 C ATOM 695 O ALA A 73 4.105 26.234 -18.176 1.00 38.54 O ATOM 696 CB ALA A 73 3.579 25.022 -15.423 1.00 42.65 C ATOM 697 H ALA A 73 6.111 25.081 -15.956 1.00 0.00 H ATOM 698 N PRO A 74 2.804 24.488 -18.709 1.00 36.04 N ATOM 699 CA PRO A 74 2.297 25.180 -19.896 1.00 36.24 C ATOM 700 C PRO A 74 1.332 26.295 -19.525 1.00 35.80 C ATOM 701 O PRO A 74 0.788 26.355 -18.418 1.00 32.10 O ATOM 702 CB PRO A 74 1.587 24.078 -20.681 1.00 36.72 C ATOM 703 CG PRO A 74 1.180 23.109 -19.654 1.00 35.31 C ATOM 704 CD PRO A 74 2.222 23.140 -18.576 1.00 35.04 C ATOM 705 N SER A 75 1.134 27.188 -20.490 1.00 37.28 N ATOM 706 CA SER A 75 0.236 28.323 -20.359 1.00 37.61 C ATOM 707 C SER A 75 -0.897 28.173 -21.366 1.00 37.52 C ATOM 708 O SER A 75 -0.734 27.559 -22.422 1.00 38.13 O ATOM 709 CB SER A 75 0.970 29.655 -20.623 1.00 38.28 C ATOM 710 OG SER A 75 1.876 29.974 -19.577 1.00 38.31 O ATOM 711 HG SER A 75 2.553 29.256 -19.498 1.00 0.00 H ATOM 712 H SER A 75 1.649 27.068 -21.386 1.00 0.00 H ATOM 713 N GLY A 76 -2.044 28.738 -21.030 1.00 34.95 N ATOM 714 CA GLY A 76 -3.172 28.667 -21.933 1.00 32.75 C ATOM 715 C GLY A 76 -3.843 27.305 -21.876 1.00 31.24 C ATOM 716 O GLY A 76 -3.660 26.522 -20.929 1.00 32.55 O ATOM 717 H GLY A 76 -2.135 29.232 -20.119 1.00 0.00 H ATOM 718 N HIS A 77 -4.659 27.027 -22.893 1.00 28.11 N ATOM 719 CA HIS A 77 -5.317 25.728 -22.969 1.00 24.44 C ATOM 720 C HIS A 77 -4.303 24.631 -23.274 1.00 24.54 C ATOM 721 O HIS A 77 -3.304 24.860 -23.957 1.00 27.49 O ATOM 722 CB HIS A 77 -6.362 25.680 -24.076 1.00 23.86 C ATOM 723 CG HIS A 77 -7.317 26.816 -24.069 1.00 25.30 C ATOM 724 ND1 HIS A 77 -8.173 27.088 -23.023 1.00 25.89 N ATOM 725 CD2 HIS A 77 -7.549 27.763 -25.006 1.00 25.54 C ATOM 726 CE1 HIS A 77 -8.891 28.159 -23.320 1.00 24.94 C ATOM 727 NE2 HIS A 77 -8.532 28.583 -24.520 1.00 26.61 N ATOM 728 H HIS A 77 -4.827 27.738 -23.633 1.00 0.00 H ATOM 729 N ILE A 78 -4.564 23.451 -22.756 1.00 21.11 N ATOM 730 CA ILE A 78 -3.688 22.294 -22.962 1.00 19.72 C ATOM 731 C ILE A 78 -4.417 21.317 -23.870 1.00 19.13 C ATOM 732 O ILE A 78 -5.482 20.805 -23.491 1.00 20.23 O ATOM 733 CB ILE A 78 -3.293 21.648 -21.625 1.00 20.95 C ATOM 734 CG1 ILE A 78 -2.647 22.687 -20.703 1.00 21.59 C ATOM 735 CG2 ILE A 78 -2.324 20.504 -21.871 1.00 21.11 C ATOM 736 CD1 ILE A 78 -2.340 22.166 -19.320 1.00 23.33 C ATOM 737 H ILE A 78 -5.422 23.335 -22.180 1.00 0.00 H ATOM 738 N PRO A 79 -3.903 21.018 -25.067 1.00 18.72 N ATOM 739 CA PRO A 79 -4.613 20.120 -25.995 1.00 18.48 C ATOM 740 C PRO A 79 -4.730 18.686 -25.492 1.00 16.25 C ATOM 741 O PRO A 79 -3.850 18.165 -24.803 1.00 16.52 O ATOM 742 CB PRO A 79 -3.753 20.179 -27.259 1.00 20.13 C ATOM 743 CG PRO A 79 -2.394 20.549 -26.767 1.00 22.03 C ATOM 744 CD PRO A 79 -2.615 21.483 -25.621 1.00 20.64 C ATOM 745 N PHE A 80 -5.825 18.045 -25.883 1.00 15.87 N ATOM 746 CA PHE A 80 -6.022 16.623 -25.615 1.00 15.40 C ATOM 747 C PHE A 80 -5.090 15.754 -26.460 1.00 15.10 C ATOM 748 O PHE A 80 -4.833 16.049 -27.626 1.00 16.40 O ATOM 749 CB PHE A 80 -7.460 16.227 -25.964 1.00 15.64 C ATOM 750 CG PHE A 80 -8.519 16.940 -25.155 1.00 15.80 C ATOM 751 CD1 PHE A 80 -8.588 16.788 -23.775 1.00 16.42 C ATOM 752 CD2 PHE A 80 -9.437 17.769 -25.777 1.00 16.29 C ATOM 753 CE1 PHE A 80 -9.566 17.447 -23.033 1.00 16.87 C ATOM 754 CE2 PHE A 80 -10.411 18.422 -25.038 1.00 17.24 C ATOM 755 CZ PHE A 80 -10.468 18.266 -23.670 1.00 16.92 C ATOM 756 H PHE A 80 -6.563 18.570 -26.394 1.00 0.00 H ATOM 757 N THR A 81 -4.591 14.659 -25.867 1.00 14.70 N ATOM 758 CA THR A 81 -3.938 13.631 -26.672 1.00 14.10 C ATOM 759 C THR A 81 -4.967 13.017 -27.624 1.00 14.95 C ATOM 760 O THR A 81 -6.169 13.103 -27.387 1.00 14.73 O ATOM 761 CB THR A 81 -3.356 12.500 -25.815 1.00 14.27 C ATOM 762 OG1 THR A 81 -4.434 11.794 -25.182 1.00 14.83 O ATOM 763 CG2 THR A 81 -2.340 12.986 -24.775 1.00 15.21 C ATOM 764 HG1 THR A 81 -5.031 11.416 -25.875 1.00 0.00 H ATOM 765 H THR A 81 -4.669 14.543 -24.836 1.00 0.00 H ATOM 766 N PRO A 82 -4.511 12.321 -28.661 1.00 15.18 N ATOM 767 CA PRO A 82 -5.468 11.606 -29.518 1.00 15.42 C ATOM 768 C PRO A 82 -6.314 10.626 -28.724 1.00 14.61 C ATOM 769 O PRO A 82 -7.502 10.464 -28.996 1.00 14.84 O ATOM 770 CB PRO A 82 -4.560 10.916 -30.547 1.00 15.67 C ATOM 771 CG PRO A 82 -3.291 11.764 -30.548 1.00 15.58 C ATOM 772 CD PRO A 82 -3.129 12.159 -29.125 1.00 15.81 C ATOM 773 N ARG A 83 -5.719 9.965 -27.731 1.00 14.58 N ATOM 774 CA ARG A 83 -6.454 8.975 -26.943 1.00 14.85 C ATOM 775 C ARG A 83 -7.478 9.638 -26.031 1.00 14.39 C ATOM 776 O ARG A 83 -8.577 9.103 -25.839 1.00 14.96 O ATOM 777 CB ARG A 83 -5.491 8.102 -26.132 1.00 14.20 C ATOM 778 CG ARG A 83 -6.118 6.803 -25.692 1.00 14.47 C ATOM 779 CD ARG A 83 -5.218 6.035 -24.762 1.00 14.69 C ATOM 780 NE ARG A 83 -3.857 5.869 -25.246 1.00 15.96 N ATOM 781 CZ ARG A 83 -3.408 4.855 -25.977 1.00 18.23 C ATOM 782 NH1 ARG A 83 -4.226 3.892 -26.383 1.00 18.55 N ATOM 783 NH2 ARG A 83 -2.130 4.807 -26.329 1.00 20.63 N ATOM 784 HE ARG A 83 -3.173 6.612 -24.997 1.00 0.00 H ATOM 785 HH12 ARG A 83 -3.859 3.105 -26.955 1.00 0.00 H ATOM 786 HH11 ARG A 83 -5.234 3.925 -26.129 1.00 0.00 H ATOM 787 HH22 ARG A 83 -1.778 4.013 -26.901 1.00 0.00 H ATOM 788 HH21 ARG A 83 -1.480 5.563 -26.033 1.00 0.00 H ATOM 789 H ARG A 83 -4.720 10.155 -27.514 1.00 0.00 H ATOM 790 N ALA A 84 -7.143 10.794 -25.460 1.00 14.25 N ATOM 791 CA ALA A 84 -8.115 11.516 -24.656 1.00 14.77 C ATOM 792 C ALA A 84 -9.291 11.954 -25.517 1.00 14.10 C ATOM 793 O ALA A 84 -10.438 11.914 -25.073 1.00 14.97 O ATOM 794 CB ALA A 84 -7.458 12.705 -23.948 1.00 15.49 C ATOM 795 H ALA A 84 -6.186 11.180 -25.590 1.00 0.00 H ATOM 796 N LYS A 85 -9.025 12.388 -26.751 1.00 14.74 N ATOM 797 CA LYS A 85 -10.123 12.693 -27.663 1.00 15.05 C ATOM 798 C LYS A 85 -10.994 11.467 -27.892 1.00 15.47 C ATOM 799 O LYS A 85 -12.222 11.557 -27.869 1.00 16.09 O ATOM 800 CB LYS A 85 -9.595 13.214 -28.990 1.00 16.01 C ATOM 801 CG LYS A 85 -8.857 14.553 -28.899 1.00 18.35 C ATOM 802 CD LYS A 85 -8.486 15.085 -30.285 1.00 22.20 C ATOM 803 CE LYS A 85 -7.543 16.247 -30.278 1.00 27.66 C ATOM 804 NZ LYS A 85 -7.143 16.422 -31.695 1.00 32.10 N ATOM 805 HZ1 LYS A 85 -6.682 15.554 -32.033 1.00 0.00 H ATOM 806 HZ2 LYS A 85 -7.987 16.615 -32.271 1.00 0.00 H ATOM 807 HZ3 LYS A 85 -6.481 17.220 -31.771 1.00 0.00 H ATOM 808 H LYS A 85 -8.040 12.508 -27.061 1.00 0.00 H ATOM 809 N LYS A 86 -10.370 10.316 -28.151 1.00 15.26 N ATOM 810 CA LYS A 86 -11.121 9.083 -28.344 1.00 16.40 C ATOM 811 C LYS A 86 -11.987 8.767 -27.132 1.00 15.56 C ATOM 812 O LYS A 86 -13.151 8.391 -27.275 1.00 16.15 O ATOM 813 CB LYS A 86 -10.154 7.934 -28.618 1.00 19.13 C ATOM 814 CG LYS A 86 -10.840 6.619 -28.922 1.00 23.47 C ATOM 815 CD LYS A 86 -11.695 6.661 -30.199 1.00 28.65 C ATOM 816 CE LYS A 86 -10.866 7.070 -31.418 1.00 33.67 C ATOM 817 NZ LYS A 86 -11.684 7.258 -32.654 1.00 37.37 N ATOM 818 HZ1 LYS A 86 -12.167 6.367 -32.888 1.00 0.00 H ATOM 819 HZ2 LYS A 86 -12.390 8.004 -32.491 1.00 0.00 H ATOM 820 HZ3 LYS A 86 -11.063 7.534 -33.441 1.00 0.00 H ATOM 821 H LYS A 86 -9.332 10.299 -28.216 1.00 0.00 H ATOM 822 N VAL A 87 -11.436 8.934 -25.925 1.00 14.85 N ATOM 823 CA VAL A 87 -12.193 8.687 -24.703 1.00 15.78 C ATOM 824 C VAL A 87 -13.404 9.608 -24.613 1.00 14.63 C ATOM 825 O VAL A 87 -14.502 9.170 -24.249 1.00 15.78 O ATOM 826 CB VAL A 87 -11.277 8.787 -23.469 1.00 16.03 C ATOM 827 CG1 VAL A 87 -12.096 8.949 -22.172 1.00 16.96 C ATOM 828 CG2 VAL A 87 -10.366 7.563 -23.399 1.00 16.94 C ATOM 829 H VAL A 87 -10.447 9.247 -25.856 1.00 0.00 H ATOM 830 N LEU A 88 -13.239 10.886 -24.949 1.00 14.47 N ATOM 831 CA LEU A 88 -14.371 11.808 -24.882 1.00 15.18 C ATOM 832 C LEU A 88 -15.408 11.509 -25.962 1.00 15.80 C ATOM 833 O LEU A 88 -16.611 11.626 -25.721 1.00 16.16 O ATOM 834 CB LEU A 88 -13.877 13.258 -24.914 1.00 15.89 C ATOM 835 CG LEU A 88 -13.070 13.678 -23.674 1.00 16.54 C ATOM 836 CD1 LEU A 88 -12.319 14.987 -23.902 1.00 18.82 C ATOM 837 CD2 LEU A 88 -13.945 13.770 -22.433 1.00 18.09 C ATOM 838 H LEU A 88 -12.307 11.227 -25.258 1.00 0.00 H ATOM 839 N GLU A 89 -14.976 11.121 -27.164 1.00 15.56 N ATOM 840 CA GLU A 89 -15.926 10.610 -28.154 1.00 16.75 C ATOM 841 C GLU A 89 -16.641 9.369 -27.651 1.00 16.29 C ATOM 842 O GLU A 89 -17.852 9.221 -27.857 1.00 17.11 O ATOM 843 CB GLU A 89 -15.223 10.305 -29.476 1.00 18.41 C ATOM 844 CG GLU A 89 -14.768 11.542 -30.201 1.00 22.73 C ATOM 845 CD GLU A 89 -14.495 11.294 -31.662 1.00 29.17 C ATOM 846 OE1 GLU A 89 -13.333 11.490 -32.067 1.00 32.23 O ATOM 847 OE2 GLU A 89 -15.443 10.918 -32.404 1.00 31.55 O ATOM 848 H GLU A 89 -13.964 11.182 -27.397 1.00 0.00 H ATOM 849 N LEU A 90 -15.914 8.450 -27.014 1.00 15.89 N ATOM 850 CA LEU A 90 -16.555 7.252 -26.470 1.00 15.97 C ATOM 851 C LEU A 90 -17.511 7.569 -25.325 1.00 16.08 C ATOM 852 O LEU A 90 -18.441 6.799 -25.077 1.00 18.50 O ATOM 853 CB LEU A 90 -15.501 6.243 -26.042 1.00 16.83 C ATOM 854 CG LEU A 90 -14.803 5.492 -27.182 1.00 18.31 C ATOM 855 CD1 LEU A 90 -13.600 4.719 -26.669 1.00 19.02 C ATOM 856 CD2 LEU A 90 -15.765 4.572 -27.941 1.00 21.85 C ATOM 857 H LEU A 90 -14.889 8.585 -26.904 1.00 0.00 H ATOM 858 N SER A 91 -17.309 8.675 -24.612 1.00 16.34 N ATOM 859 CA SER A 91 -18.265 9.028 -23.562 1.00 16.17 C ATOM 860 C SER A 91 -19.632 9.300 -24.165 1.00 15.88 C ATOM 861 O SER A 91 -20.661 8.905 -23.606 1.00 16.27 O ATOM 862 CB SER A 91 -17.771 10.223 -22.741 1.00 15.62 C ATOM 863 OG SER A 91 -17.952 11.481 -23.387 1.00 14.76 O ATOM 864 HG SER A 91 -17.454 11.486 -24.242 1.00 0.00 H ATOM 865 H SER A 91 -16.484 9.279 -24.799 1.00 0.00 H ATOM 866 N LEU A 92 -19.661 9.961 -25.301 1.00 15.87 N ATOM 867 CA LEU A 92 -20.890 10.217 -26.016 1.00 17.44 C ATOM 868 C LEU A 92 -21.503 8.916 -26.525 1.00 16.91 C ATOM 869 O LEU A 92 -22.711 8.690 -26.390 1.00 17.72 O ATOM 870 CB LEU A 92 -20.532 11.175 -27.144 1.00 22.37 C ATOM 871 CG LEU A 92 -21.423 11.345 -28.318 1.00 27.99 C ATOM 872 CD1 LEU A 92 -22.777 11.654 -27.787 1.00 30.58 C ATOM 873 CD2 LEU A 92 -20.795 12.479 -29.144 1.00 28.23 C ATOM 874 H LEU A 92 -18.767 10.312 -25.699 1.00 0.00 H ATOM 875 N ARG A 93 -20.672 8.032 -27.079 1.00 16.31 N ATOM 876 CA ARG A 93 -21.150 6.738 -27.547 1.00 17.61 C ATOM 877 C ARG A 93 -21.736 5.914 -26.405 1.00 16.60 C ATOM 878 O ARG A 93 -22.767 5.253 -26.573 1.00 16.83 O ATOM 879 CB ARG A 93 -19.980 5.998 -28.212 1.00 18.73 C ATOM 880 CG ARG A 93 -20.332 4.688 -28.907 1.00 20.64 C ATOM 881 CD ARG A 93 -19.101 4.016 -29.545 1.00 22.22 C ATOM 882 NE ARG A 93 -19.447 2.811 -30.294 1.00 23.55 N ATOM 883 CZ ARG A 93 -19.859 2.792 -31.551 1.00 24.47 C ATOM 884 NH1 ARG A 93 -19.970 3.922 -32.242 1.00 26.28 N ATOM 885 NH2 ARG A 93 -20.139 1.631 -32.126 1.00 23.49 N ATOM 886 HE ARG A 93 -19.363 1.899 -29.802 1.00 0.00 H ATOM 887 HH12 ARG A 93 -20.295 3.898 -33.230 1.00 0.00 H ATOM 888 HH11 ARG A 93 -19.732 4.830 -31.795 1.00 0.00 H ATOM 889 HH22 ARG A 93 -20.464 1.605 -33.114 1.00 0.00 H ATOM 890 HH21 ARG A 93 -20.034 0.746 -31.589 1.00 0.00 H ATOM 891 H ARG A 93 -19.665 8.271 -27.179 1.00 0.00 H ATOM 892 N GLU A 94 -21.086 5.922 -25.243 1.00 15.97 N ATOM 893 CA GLU A 94 -21.583 5.145 -24.117 1.00 15.29 C ATOM 894 C GLU A 94 -22.949 5.643 -23.692 1.00 15.21 C ATOM 895 O GLU A 94 -23.838 4.842 -23.396 1.00 16.32 O ATOM 896 CB GLU A 94 -20.592 5.211 -22.952 1.00 16.67 C ATOM 897 CG GLU A 94 -19.271 4.520 -23.210 1.00 19.69 C ATOM 898 CD GLU A 94 -19.313 3.017 -23.173 1.00 24.38 C ATOM 899 OE1 GLU A 94 -20.182 2.446 -22.507 1.00 24.15 O ATOM 900 OE2 GLU A 94 -18.437 2.407 -23.811 1.00 28.63 O ATOM 901 H GLU A 94 -20.219 6.486 -25.139 1.00 0.00 H ATOM 902 N ALA A 95 -23.137 6.970 -23.644 1.00 15.39 N ATOM 903 CA ALA A 95 -24.439 7.506 -23.276 1.00 15.75 C ATOM 904 C ALA A 95 -25.497 7.109 -24.294 1.00 16.06 C ATOM 905 O ALA A 95 -26.602 6.700 -23.928 1.00 16.58 O ATOM 906 CB ALA A 95 -24.355 9.020 -23.148 1.00 15.82 C ATOM 907 H ALA A 95 -22.353 7.615 -23.870 1.00 0.00 H ATOM 908 N LEU A 96 -25.176 7.231 -25.581 1.00 17.44 N ATOM 909 CA LEU A 96 -26.121 6.861 -26.619 1.00 19.69 C ATOM 910 C LEU A 96 -26.501 5.398 -26.526 1.00 20.13 C ATOM 911 O LEU A 96 -27.676 5.062 -26.669 1.00 21.49 O ATOM 912 CB LEU A 96 -25.538 7.172 -27.994 1.00 22.71 C ATOM 913 CG LEU A 96 -25.375 8.656 -28.281 1.00 26.78 C ATOM 914 CD1 LEU A 96 -24.844 8.846 -29.680 1.00 27.08 C ATOM 915 CD2 LEU A 96 -26.679 9.408 -28.118 1.00 29.00 C ATOM 916 H LEU A 96 -24.238 7.595 -25.845 1.00 0.00 H ATOM 917 N GLN A 97 -25.520 4.515 -26.295 1.00 20.35 N ATOM 918 CA GLN A 97 -25.807 3.082 -26.257 1.00 20.94 C ATOM 919 C GLN A 97 -26.700 2.720 -25.081 1.00 20.39 C ATOM 920 O GLN A 97 -27.460 1.743 -25.153 1.00 21.56 O ATOM 921 CB GLN A 97 -24.492 2.287 -26.198 1.00 22.52 C ATOM 922 CG GLN A 97 -23.731 2.303 -27.520 1.00 26.30 C ATOM 923 CD GLN A 97 -22.370 1.645 -27.470 1.00 27.92 C ATOM 924 OE1 GLN A 97 -21.775 1.471 -26.403 1.00 29.31 O ATOM 925 NE2 GLN A 97 -21.849 1.315 -28.649 1.00 27.61 N ATOM 926 HE22 GLN A 97 -22.390 1.481 -29.521 1.00 0.00 H ATOM 927 HE21 GLN A 97 -20.901 0.891 -28.698 1.00 0.00 H ATOM 928 H GLN A 97 -24.548 4.851 -26.142 1.00 0.00 H ATOM 929 N LEU A 98 -26.604 3.475 -23.985 1.00 19.74 N ATOM 930 CA LEU A 98 -27.450 3.272 -22.818 1.00 19.87 C ATOM 931 C LEU A 98 -28.808 3.942 -22.962 1.00 19.47 C ATOM 932 O LEU A 98 -29.682 3.725 -22.117 1.00 20.88 O ATOM 933 CB LEU A 98 -26.739 3.811 -21.569 1.00 20.26 C ATOM 934 CG LEU A 98 -25.504 3.021 -21.123 1.00 20.93 C ATOM 935 CD1 LEU A 98 -24.663 3.801 -20.105 1.00 22.63 C ATOM 936 CD2 LEU A 98 -25.899 1.667 -20.568 1.00 22.85 C ATOM 937 H LEU A 98 -25.898 4.238 -23.964 1.00 0.00 H ATOM 938 N GLY A 99 -28.996 4.750 -24.009 1.00 18.97 N ATOM 939 CA GLY A 99 -30.241 5.458 -24.218 1.00 18.20 C ATOM 940 C GLY A 99 -30.348 6.794 -23.503 1.00 17.90 C ATOM 941 O GLY A 99 -31.438 7.361 -23.424 1.00 20.15 O ATOM 942 H GLY A 99 -28.224 4.874 -24.695 1.00 0.00 H ATOM 943 N HIS A 100 -29.246 7.321 -22.998 1.00 16.34 N ATOM 944 CA HIS A 100 -29.229 8.537 -22.201 1.00 15.78 C ATOM 945 C HIS A 100 -29.093 9.770 -23.085 1.00 17.06 C ATOM 946 O HIS A 100 -28.530 9.718 -24.185 1.00 18.79 O ATOM 947 CB HIS A 100 -28.061 8.467 -21.220 1.00 15.56 C ATOM 948 CG HIS A 100 -28.149 7.307 -20.277 1.00 15.74 C ATOM 949 ND1 HIS A 100 -27.081 6.899 -19.510 1.00 16.22 N ATOM 950 CD2 HIS A 100 -29.166 6.458 -19.994 1.00 16.92 C ATOM 951 CE1 HIS A 100 -27.433 5.857 -18.786 1.00 16.72 C ATOM 952 NE2 HIS A 100 -28.696 5.562 -19.061 1.00 16.39 N ATOM 953 H HIS A 100 -28.342 6.840 -23.181 1.00 0.00 H ATOM 954 N ASN A 101 -29.604 10.890 -22.573 1.00 16.80 N ATOM 955 CA ASN A 101 -29.624 12.163 -23.286 1.00 18.40 C ATOM 956 C ASN A 101 -28.599 13.153 -22.758 1.00 19.00 C ATOM 957 O ASN A 101 -28.544 14.288 -23.241 1.00 21.65 O ATOM 958 CB ASN A 101 -31.016 12.798 -23.181 1.00 21.53 C ATOM 959 CG ASN A 101 -32.058 12.088 -23.997 1.00 26.11 C ATOM 960 OD1 ASN A 101 -31.787 11.602 -25.086 1.00 26.81 O ATOM 961 ND2 ASN A 101 -33.281 12.066 -23.488 1.00 28.60 N ATOM 962 HD22 ASN A 101 -33.465 12.492 -22.557 1.00 0.00 H ATOM 963 HD21 ASN A 101 -34.057 11.622 -24.019 1.00 0.00 H ATOM 964 H ASN A 101 -30.009 10.855 -21.616 1.00 0.00 H ATOM 965 N TYR A 102 -27.808 12.755 -21.768 1.00 17.54 N ATOM 966 CA TYR A 102 -26.820 13.588 -21.109 1.00 17.43 C ATOM 967 C TYR A 102 -25.510 12.819 -21.084 1.00 17.14 C ATOM 968 O TYR A 102 -25.488 11.607 -21.258 1.00 17.50 O ATOM 969 CB TYR A 102 -27.248 13.929 -19.666 1.00 17.76 C ATOM 970 CG TYR A 102 -27.155 12.749 -18.714 1.00 18.13 C ATOM 971 CD1 TYR A 102 -28.136 11.748 -18.697 1.00 18.98 C ATOM 972 CD2 TYR A 102 -26.076 12.604 -17.878 1.00 18.71 C ATOM 973 CE1 TYR A 102 -28.035 10.664 -17.849 1.00 19.28 C ATOM 974 CE2 TYR A 102 -25.957 11.498 -17.024 1.00 19.58 C ATOM 975 CZ TYR A 102 -26.944 10.546 -17.004 1.00 18.93 C ATOM 976 OH TYR A 102 -26.827 9.447 -16.167 1.00 19.96 O ATOM 977 HH TYR A 102 -26.769 9.754 -15.228 1.00 0.00 H ATOM 978 H TYR A 102 -27.904 11.773 -21.441 1.00 0.00 H ATOM 979 N ILE A 103 -24.416 13.522 -20.824 1.00 16.96 N ATOM 980 CA ILE A 103 -23.118 12.907 -20.581 1.00 16.79 C ATOM 981 C ILE A 103 -22.659 13.340 -19.192 1.00 15.67 C ATOM 982 O ILE A 103 -22.445 14.539 -18.950 1.00 16.76 O ATOM 983 CB ILE A 103 -22.089 13.291 -21.656 1.00 17.40 C ATOM 984 CG1 ILE A 103 -22.582 12.842 -23.043 1.00 19.42 C ATOM 985 CG2 ILE A 103 -20.727 12.698 -21.326 1.00 17.79 C ATOM 986 CD1 ILE A 103 -21.753 13.331 -24.195 1.00 19.83 C ATOM 987 H ILE A 103 -24.488 14.559 -20.792 1.00 0.00 H ATOM 988 N GLY A 104 -22.526 12.382 -18.295 1.00 15.61 N ATOM 989 CA GLY A 104 -22.095 12.622 -16.928 1.00 16.25 C ATOM 990 C GLY A 104 -20.724 12.025 -16.664 1.00 15.04 C ATOM 991 O GLY A 104 -20.091 11.436 -17.538 1.00 16.11 O ATOM 992 H GLY A 104 -22.740 11.405 -18.581 1.00 0.00 H ATOM 993 N THR A 105 -20.272 12.182 -15.411 1.00 14.97 N ATOM 994 CA THR A 105 -18.968 11.616 -15.058 1.00 15.12 C ATOM 995 C THR A 105 -18.940 10.121 -15.327 1.00 15.02 C ATOM 996 O THR A 105 -17.902 9.584 -15.726 1.00 15.32 O ATOM 997 CB THR A 105 -18.543 11.921 -13.608 1.00 15.86 C ATOM 998 OG1 THR A 105 -19.258 11.101 -12.656 1.00 16.06 O ATOM 999 CG2 THR A 105 -18.706 13.407 -13.251 1.00 17.12 C ATOM 1000 HG1 THR A 105 -20.230 11.272 -12.739 1.00 0.00 H ATOM 1001 H THR A 105 -20.836 12.695 -14.704 1.00 0.00 H ATOM 1002 N GLU A 106 -20.073 9.450 -15.134 1.00 14.82 N ATOM 1003 CA GLU A 106 -20.155 8.016 -15.385 1.00 15.07 C ATOM 1004 C GLU A 106 -19.752 7.684 -16.810 1.00 14.28 C ATOM 1005 O GLU A 106 -19.051 6.693 -17.055 1.00 15.20 O ATOM 1006 CB GLU A 106 -21.577 7.500 -15.107 1.00 15.24 C ATOM 1007 CG GLU A 106 -22.749 8.288 -15.712 1.00 15.98 C ATOM 1008 CD GLU A 106 -23.297 9.385 -14.796 1.00 17.43 C ATOM 1009 OE1 GLU A 106 -22.502 10.000 -14.047 1.00 17.17 O ATOM 1010 OE2 GLU A 106 -24.524 9.632 -14.822 1.00 18.24 O ATOM 1011 H GLU A 106 -20.916 9.958 -14.798 1.00 0.00 H ATOM 1012 N HIS A 107 -20.215 8.475 -17.775 1.00 14.44 N ATOM 1013 CA HIS A 107 -19.965 8.137 -19.166 1.00 15.26 C ATOM 1014 C HIS A 107 -18.528 8.427 -19.556 1.00 14.20 C ATOM 1015 O HIS A 107 -17.968 7.729 -20.409 1.00 15.43 O ATOM 1016 CB HIS A 107 -20.897 8.914 -20.075 1.00 15.59 C ATOM 1017 CG HIS A 107 -22.346 8.700 -19.786 1.00 14.94 C ATOM 1018 ND1 HIS A 107 -23.133 9.656 -19.187 1.00 16.02 N ATOM 1019 CD2 HIS A 107 -23.156 7.640 -20.019 1.00 15.04 C ATOM 1020 CE1 HIS A 107 -24.368 9.205 -19.081 1.00 15.51 C ATOM 1021 NE2 HIS A 107 -24.403 7.971 -19.558 1.00 15.54 N ATOM 1022 H HIS A 107 -20.754 9.332 -17.535 1.00 0.00 H ATOM 1023 N ILE A 108 -17.920 9.465 -18.980 1.00 14.31 N ATOM 1024 CA ILE A 108 -16.502 9.698 -19.223 1.00 14.91 C ATOM 1025 C ILE A 108 -15.689 8.499 -18.748 1.00 14.39 C ATOM 1026 O ILE A 108 -14.787 8.014 -19.450 1.00 14.90 O ATOM 1027 CB ILE A 108 -16.036 11.003 -18.558 1.00 14.44 C ATOM 1028 CG1 ILE A 108 -16.809 12.216 -19.102 1.00 15.74 C ATOM 1029 CG2 ILE A 108 -14.525 11.199 -18.758 1.00 15.33 C ATOM 1030 CD1 ILE A 108 -16.544 13.513 -18.374 1.00 16.96 C ATOM 1031 H ILE A 108 -18.456 10.106 -18.360 1.00 0.00 H ATOM 1032 N LEU A 109 -15.982 8.004 -17.546 1.00 13.61 N ATOM 1033 CA LEU A 109 -15.243 6.853 -17.046 1.00 14.07 C ATOM 1034 C LEU A 109 -15.536 5.603 -17.867 1.00 14.74 C ATOM 1035 O LEU A 109 -14.623 4.828 -18.146 1.00 14.75 O ATOM 1036 CB LEU A 109 -15.531 6.644 -15.561 1.00 14.51 C ATOM 1037 CG LEU A 109 -14.736 5.535 -14.867 1.00 15.26 C ATOM 1038 CD1 LEU A 109 -13.263 5.625 -15.127 1.00 14.17 C ATOM 1039 CD2 LEU A 109 -15.009 5.576 -13.368 1.00 15.01 C ATOM 1040 H LEU A 109 -16.732 8.436 -16.970 1.00 0.00 H ATOM 1041 N LEU A 110 -16.789 5.402 -18.283 1.00 15.06 N ATOM 1042 CA LEU A 110 -17.100 4.262 -19.141 1.00 15.10 C ATOM 1043 C LEU A 110 -16.338 4.348 -20.463 1.00 14.55 C ATOM 1044 O LEU A 110 -15.834 3.340 -20.961 1.00 15.93 O ATOM 1045 CB LEU A 110 -18.598 4.174 -19.404 1.00 15.65 C ATOM 1046 CG LEU A 110 -19.462 3.765 -18.199 1.00 15.29 C ATOM 1047 CD1 LEU A 110 -20.935 3.856 -18.557 1.00 16.34 C ATOM 1048 CD2 LEU A 110 -19.106 2.368 -17.680 1.00 16.69 C ATOM 1049 H LEU A 110 -17.544 6.058 -17.996 1.00 0.00 H ATOM 1050 N GLY A 111 -16.220 5.549 -21.023 1.00 14.62 N ATOM 1051 CA GLY A 111 -15.469 5.703 -22.257 1.00 15.48 C ATOM 1052 C GLY A 111 -13.992 5.428 -22.064 1.00 15.52 C ATOM 1053 O GLY A 111 -13.348 4.815 -22.922 1.00 15.99 O ATOM 1054 H GLY A 111 -16.665 6.377 -20.578 1.00 0.00 H ATOM 1055 N LEU A 112 -13.434 5.875 -20.936 1.00 15.03 N ATOM 1056 CA LEU A 112 -12.048 5.581 -20.610 1.00 15.57 C ATOM 1057 C LEU A 112 -11.819 4.071 -20.547 1.00 15.29 C ATOM 1058 O LEU A 112 -10.841 3.547 -21.091 1.00 15.68 O ATOM 1059 CB LEU A 112 -11.718 6.275 -19.296 1.00 16.46 C ATOM 1060 CG LEU A 112 -10.262 6.271 -18.887 1.00 17.02 C ATOM 1061 CD1 LEU A 112 -9.995 7.480 -17.986 1.00 19.40 C ATOM 1062 CD2 LEU A 112 -9.884 4.985 -18.174 1.00 17.77 C ATOM 1063 H LEU A 112 -14.002 6.445 -20.277 1.00 0.00 H ATOM 1064 N ILE A 113 -12.713 3.352 -19.873 1.00 15.39 N ATOM 1065 CA ILE A 113 -12.600 1.896 -19.767 1.00 16.82 C ATOM 1066 C ILE A 113 -12.734 1.247 -21.131 1.00 17.54 C ATOM 1067 O ILE A 113 -11.990 0.321 -21.468 1.00 19.01 O ATOM 1068 CB ILE A 113 -13.668 1.365 -18.785 1.00 18.80 C ATOM 1069 CG1 ILE A 113 -13.368 1.908 -17.382 1.00 20.58 C ATOM 1070 CG2 ILE A 113 -13.807 -0.165 -18.870 1.00 21.15 C ATOM 1071 CD1 ILE A 113 -12.004 1.639 -16.834 1.00 23.53 C ATOM 1072 H ILE A 113 -13.510 3.835 -19.411 1.00 0.00 H ATOM 1073 N ARG A 114 -13.688 1.721 -21.933 1.00 16.95 N ATOM 1074 CA ARG A 114 -13.928 1.150 -23.254 1.00 18.22 C ATOM 1075 C ARG A 114 -12.698 1.275 -24.146 1.00 18.16 C ATOM 1076 O ARG A 114 -12.373 0.344 -24.894 1.00 20.96 O ATOM 1077 CB ARG A 114 -15.151 1.819 -23.893 1.00 19.23 C ATOM 1078 CG ARG A 114 -15.484 1.310 -25.291 1.00 21.93 C ATOM 1079 CD ARG A 114 -16.090 -0.049 -25.245 1.00 24.42 C ATOM 1080 NE ARG A 114 -17.417 0.038 -24.644 1.00 23.93 N ATOM 1081 CZ ARG A 114 -18.270 -0.973 -24.522 1.00 25.61 C ATOM 1082 NH1 ARG A 114 -17.947 -2.184 -24.955 1.00 26.68 N ATOM 1083 NH2 ARG A 114 -19.455 -0.758 -23.984 1.00 24.94 N ATOM 1084 HE ARG A 114 -17.719 0.965 -24.282 1.00 0.00 H ATOM 1085 HH12 ARG A 114 -18.622 -2.969 -24.855 1.00 0.00 H ATOM 1086 HH11 ARG A 114 -17.019 -2.349 -25.395 1.00 0.00 H ATOM 1087 HH22 ARG A 114 -20.131 -1.542 -23.884 1.00 0.00 H ATOM 1088 HH21 ARG A 114 -19.714 0.196 -23.660 1.00 0.00 H ATOM 1089 H ARG A 114 -14.275 2.516 -21.609 1.00 0.00 H ATOM 1090 N GLU A 115 -12.012 2.416 -24.102 1.00 16.31 N ATOM 1091 CA GLU A 115 -10.786 2.557 -24.890 1.00 16.47 C ATOM 1092 C GLU A 115 -9.708 1.611 -24.369 1.00 16.52 C ATOM 1093 O GLU A 115 -9.067 0.887 -25.148 1.00 17.03 O ATOM 1094 CB GLU A 115 -10.323 4.013 -24.905 1.00 16.25 C ATOM 1095 CG GLU A 115 -9.237 4.314 -25.967 1.00 17.08 C ATOM 1096 CD GLU A 115 -7.857 3.845 -25.579 1.00 16.55 C ATOM 1097 OE1 GLU A 115 -7.586 3.704 -24.363 1.00 16.47 O ATOM 1098 OE2 GLU A 115 -7.043 3.639 -26.502 1.00 16.42 O ATOM 1099 H GLU A 115 -12.346 3.203 -23.510 1.00 0.00 H ATOM 1100 N GLY A 116 -9.483 1.622 -23.049 1.00 16.40 N ATOM 1101 CA GLY A 116 -8.829 0.558 -22.311 1.00 17.50 C ATOM 1102 C GLY A 116 -7.347 0.364 -22.502 1.00 17.03 C ATOM 1103 O GLY A 116 -6.835 -0.663 -22.049 1.00 18.28 O ATOM 1104 H GLY A 116 -9.801 2.455 -22.513 1.00 0.00 H ATOM 1105 N GLU A 117 -6.624 1.304 -23.133 1.00 15.74 N ATOM 1106 CA GLU A 117 -5.272 1.013 -23.599 1.00 16.25 C ATOM 1107 C GLU A 117 -4.232 2.088 -23.314 1.00 17.08 C ATOM 1108 O GLU A 117 -3.081 1.917 -23.731 1.00 19.60 O ATOM 1109 CB GLU A 117 -5.287 0.695 -25.104 1.00 16.34 C ATOM 1110 CG GLU A 117 -5.975 -0.650 -25.437 1.00 17.50 C ATOM 1111 CD GLU A 117 -5.240 -1.870 -24.931 1.00 20.76 C ATOM 1112 OE1 GLU A 117 -4.032 -1.781 -24.612 1.00 22.20 O ATOM 1113 OE2 GLU A 117 -5.889 -2.934 -24.856 1.00 23.59 O ATOM 1114 H GLU A 117 -7.031 2.248 -23.291 1.00 0.00 H ATOM 1115 N GLY A 118 -4.581 3.170 -22.623 1.00 14.72 N ATOM 1116 CA GLY A 118 -3.663 4.261 -22.383 1.00 14.62 C ATOM 1117 C GLY A 118 -3.081 4.298 -20.985 1.00 14.96 C ATOM 1118 O GLY A 118 -3.059 3.307 -20.248 1.00 15.38 O ATOM 1119 H GLY A 118 -5.547 3.233 -22.243 1.00 0.00 H ATOM 1120 N VAL A 119 -2.598 5.479 -20.616 1.00 15.64 N ATOM 1121 CA VAL A 119 -1.899 5.629 -19.349 1.00 15.14 C ATOM 1122 C VAL A 119 -2.857 5.477 -18.174 1.00 15.01 C ATOM 1123 O VAL A 119 -2.514 4.845 -17.167 1.00 15.05 O ATOM 1124 CB VAL A 119 -1.102 6.948 -19.299 1.00 14.89 C ATOM 1125 CG1 VAL A 119 -0.378 7.062 -17.966 1.00 16.32 C ATOM 1126 CG2 VAL A 119 -0.110 7.018 -20.452 1.00 15.14 C ATOM 1127 H VAL A 119 -2.721 6.303 -21.238 1.00 0.00 H ATOM 1128 N ALA A 120 -4.065 6.052 -18.262 1.00 13.86 N ATOM 1129 CA ALA A 120 -5.033 5.839 -17.182 1.00 14.59 C ATOM 1130 C ALA A 120 -5.305 4.358 -16.964 1.00 14.53 C ATOM 1131 O ALA A 120 -5.355 3.885 -15.827 1.00 14.79 O ATOM 1132 CB ALA A 120 -6.344 6.541 -17.484 1.00 14.75 C ATOM 1133 H ALA A 120 -4.311 6.640 -19.084 1.00 0.00 H ATOM 1134 N ALA A 121 -5.500 3.611 -18.045 1.00 13.70 N ATOM 1135 CA ALA A 121 -5.760 2.185 -17.921 1.00 14.77 C ATOM 1136 C ALA A 121 -4.578 1.476 -17.273 1.00 15.77 C ATOM 1137 O ALA A 121 -4.761 0.603 -16.405 1.00 16.90 O ATOM 1138 CB ALA A 121 -6.059 1.597 -19.296 1.00 16.33 C ATOM 1139 H ALA A 121 -5.467 4.049 -18.988 1.00 0.00 H ATOM 1140 N GLN A 122 -3.362 1.833 -17.682 1.00 16.23 N ATOM 1141 CA GLN A 122 -2.156 1.260 -17.094 1.00 16.96 C ATOM 1142 C GLN A 122 -2.100 1.540 -15.599 1.00 15.99 C ATOM 1143 O GLN A 122 -1.826 0.646 -14.799 1.00 17.14 O ATOM 1144 CB GLN A 122 -0.924 1.852 -17.791 1.00 20.15 C ATOM 1145 CG GLN A 122 0.436 1.550 -17.196 1.00 25.18 C ATOM 1146 CD GLN A 122 1.564 2.352 -17.858 1.00 28.75 C ATOM 1147 OE1 GLN A 122 1.333 3.312 -18.614 1.00 30.83 O ATOM 1148 NE2 GLN A 122 2.790 1.966 -17.565 1.00 30.69 N ATOM 1149 HE22 GLN A 122 2.943 1.158 -16.928 1.00 0.00 H ATOM 1150 HE21 GLN A 122 3.605 2.470 -17.971 1.00 0.00 H ATOM 1151 H GLN A 122 -3.270 2.539 -18.440 1.00 0.00 H ATOM 1152 N VAL A 123 -2.349 2.795 -15.219 1.00 14.86 N ATOM 1153 CA VAL A 123 -2.293 3.188 -13.810 1.00 16.03 C ATOM 1154 C VAL A 123 -3.361 2.469 -12.997 1.00 16.55 C ATOM 1155 O VAL A 123 -3.094 1.984 -11.895 1.00 16.35 O ATOM 1156 CB VAL A 123 -2.415 4.719 -13.679 1.00 16.58 C ATOM 1157 CG1 VAL A 123 -2.610 5.111 -12.223 1.00 17.92 C ATOM 1158 CG2 VAL A 123 -1.183 5.407 -14.261 1.00 17.45 C ATOM 1159 H VAL A 123 -2.587 3.508 -15.938 1.00 0.00 H ATOM 1160 N LEU A 124 -4.595 2.426 -13.508 1.00 15.00 N ATOM 1161 CA LEU A 124 -5.671 1.776 -12.767 1.00 15.09 C ATOM 1162 C LEU A 124 -5.316 0.340 -12.444 1.00 16.13 C ATOM 1163 O LEU A 124 -5.495 -0.112 -11.307 1.00 16.28 O ATOM 1164 CB LEU A 124 -6.972 1.825 -13.563 1.00 16.02 C ATOM 1165 CG LEU A 124 -7.651 3.188 -13.542 1.00 16.07 C ATOM 1166 CD1 LEU A 124 -8.731 3.237 -14.593 1.00 17.31 C ATOM 1167 CD2 LEU A 124 -8.240 3.532 -12.164 1.00 17.95 C ATOM 1168 H LEU A 124 -4.789 2.856 -14.435 1.00 0.00 H ATOM 1169 N VAL A 125 -4.845 -0.411 -13.439 1.00 16.20 N ATOM 1170 CA VAL A 125 -4.531 -1.816 -13.201 1.00 16.47 C ATOM 1171 C VAL A 125 -3.398 -1.931 -12.202 1.00 17.28 C ATOM 1172 O VAL A 125 -3.446 -2.752 -11.275 1.00 18.01 O ATOM 1173 CB VAL A 125 -4.236 -2.533 -14.529 1.00 17.22 C ATOM 1174 CG1 VAL A 125 -3.618 -3.911 -14.283 1.00 18.08 C ATOM 1175 CG2 VAL A 125 -5.526 -2.671 -15.323 1.00 18.02 C ATOM 1176 H VAL A 125 -4.702 0.003 -14.382 1.00 0.00 H ATOM 1177 N LYS A 126 -2.362 -1.105 -12.362 1.00 16.64 N ATOM 1178 CA LYS A 126 -1.221 -1.178 -11.455 1.00 17.87 C ATOM 1179 C LYS A 126 -1.651 -0.911 -10.015 1.00 17.94 C ATOM 1180 O LYS A 126 -1.148 -1.553 -9.085 1.00 19.04 O ATOM 1181 CB LYS A 126 -0.157 -0.181 -11.899 1.00 20.96 C ATOM 1182 CG LYS A 126 1.173 -0.350 -11.239 1.00 24.68 C ATOM 1183 CD LYS A 126 2.208 0.496 -11.965 1.00 26.35 C ATOM 1184 CE LYS A 126 3.545 0.361 -11.311 1.00 29.58 C ATOM 1185 NZ LYS A 126 4.411 1.460 -11.761 1.00 31.85 N ATOM 1186 HZ1 LYS A 126 4.519 1.414 -12.794 1.00 0.00 H ATOM 1187 HZ2 LYS A 126 3.981 2.369 -11.497 1.00 0.00 H ATOM 1188 HZ3 LYS A 126 5.344 1.372 -11.309 1.00 0.00 H ATOM 1189 H LYS A 126 -2.368 -0.408 -13.134 1.00 0.00 H ATOM 1190 N LEU A 127 -2.607 0.003 -9.824 1.00 16.69 N ATOM 1191 CA LEU A 127 -3.101 0.384 -8.506 1.00 16.83 C ATOM 1192 C LEU A 127 -4.251 -0.491 -8.013 1.00 17.23 C ATOM 1193 O LEU A 127 -4.790 -0.210 -6.937 1.00 17.78 O ATOM 1194 CB LEU A 127 -3.520 1.852 -8.512 1.00 17.44 C ATOM 1195 CG LEU A 127 -2.392 2.866 -8.669 1.00 18.23 C ATOM 1196 CD1 LEU A 127 -2.965 4.276 -8.736 1.00 19.31 C ATOM 1197 CD2 LEU A 127 -1.405 2.753 -7.505 1.00 20.39 C ATOM 1198 H LEU A 127 -3.020 0.466 -10.658 1.00 0.00 H ATOM 1199 N GLY A 128 -4.610 -1.545 -8.746 1.00 18.32 N ATOM 1200 CA GLY A 128 -5.531 -2.551 -8.251 1.00 18.39 C ATOM 1201 C GLY A 128 -6.986 -2.374 -8.612 1.00 18.48 C ATOM 1202 O GLY A 128 -7.840 -2.994 -7.977 1.00 20.03 O ATOM 1203 H GLY A 128 -4.217 -1.650 -9.703 1.00 0.00 H ATOM 1204 N ALA A 129 -7.295 -1.604 -9.646 1.00 17.41 N ATOM 1205 CA ALA A 129 -8.663 -1.428 -10.125 1.00 16.94 C ATOM 1206 C ALA A 129 -8.740 -1.974 -11.547 1.00 16.88 C ATOM 1207 O ALA A 129 -8.469 -1.266 -12.514 1.00 18.01 O ATOM 1208 CB ALA A 129 -9.067 0.035 -10.059 1.00 17.69 C ATOM 1209 H ALA A 129 -6.528 -1.103 -10.138 1.00 0.00 H ATOM 1210 N GLU A 130 -9.109 -3.242 -11.672 1.00 16.92 N ATOM 1211 CA GLU A 130 -9.283 -3.814 -12.994 1.00 16.48 C ATOM 1212 C GLU A 130 -10.355 -3.041 -13.746 1.00 15.71 C ATOM 1213 O GLU A 130 -11.355 -2.608 -13.166 1.00 15.34 O ATOM 1214 CB GLU A 130 -9.688 -5.282 -12.895 1.00 18.28 C ATOM 1215 CG GLU A 130 -8.705 -6.182 -12.199 1.00 19.14 C ATOM 1216 CD GLU A 130 -7.431 -6.468 -12.972 1.00 20.24 C ATOM 1217 OE1 GLU A 130 -7.174 -5.901 -14.057 1.00 21.69 O ATOM 1218 OE2 GLU A 130 -6.650 -7.300 -12.472 1.00 21.36 O ATOM 1219 H GLU A 130 -9.273 -3.824 -10.826 1.00 0.00 H ATOM 1220 N LEU A 131 -10.149 -2.885 -15.054 1.00 16.70 N ATOM 1221 CA LEU A 131 -11.067 -2.081 -15.855 1.00 17.19 C ATOM 1222 C LEU A 131 -12.491 -2.632 -15.812 1.00 16.27 C ATOM 1223 O LEU A 131 -13.460 -1.863 -15.695 1.00 17.10 O ATOM 1224 CB LEU A 131 -10.561 -1.993 -17.286 1.00 17.98 C ATOM 1225 CG LEU A 131 -9.128 -1.476 -17.486 1.00 20.53 C ATOM 1226 CD1 LEU A 131 -8.838 -1.265 -18.966 1.00 21.50 C ATOM 1227 CD2 LEU A 131 -8.897 -0.194 -16.706 1.00 22.51 C ATOM 1228 H LEU A 131 -9.330 -3.339 -15.506 1.00 0.00 H ATOM 1229 N THR A 132 -12.648 -3.959 -15.896 1.00 17.71 N ATOM 1230 CA THR A 132 -13.988 -4.528 -15.814 1.00 17.92 C ATOM 1231 C THR A 132 -14.634 -4.234 -14.474 1.00 17.04 C ATOM 1232 O THR A 132 -15.857 -4.045 -14.411 1.00 16.96 O ATOM 1233 CB THR A 132 -13.986 -6.033 -16.072 1.00 19.86 C ATOM 1234 OG1 THR A 132 -13.134 -6.690 -15.129 1.00 22.43 O ATOM 1235 CG2 THR A 132 -13.534 -6.316 -17.467 1.00 18.33 C ATOM 1236 HG1 THR A 132 -12.212 -6.342 -15.221 1.00 0.00 H ATOM 1237 H THR A 132 -11.822 -4.578 -16.019 1.00 0.00 H ATOM 1238 N ARG A 133 -13.845 -4.178 -13.389 1.00 16.68 N ATOM 1239 CA ARG A 133 -14.411 -3.857 -12.085 1.00 15.94 C ATOM 1240 C ARG A 133 -14.808 -2.394 -11.988 1.00 15.63 C ATOM 1241 O ARG A 133 -15.855 -2.068 -11.407 1.00 16.02 O ATOM 1242 CB ARG A 133 -13.434 -4.229 -10.977 1.00 16.72 C ATOM 1243 CG ARG A 133 -13.285 -5.720 -10.770 1.00 16.80 C ATOM 1244 CD ARG A 133 -14.551 -6.346 -10.193 1.00 18.03 C ATOM 1245 NE ARG A 133 -14.718 -5.921 -8.805 1.00 18.39 N ATOM 1246 CZ ARG A 133 -15.717 -5.184 -8.323 1.00 18.31 C ATOM 1247 NH1 ARG A 133 -16.709 -4.731 -9.085 1.00 19.89 N ATOM 1248 NH2 ARG A 133 -15.717 -4.880 -7.044 1.00 19.91 N ATOM 1249 HE ARG A 133 -13.987 -6.223 -8.129 1.00 0.00 H ATOM 1250 HH12 ARG A 133 -17.468 -4.159 -8.664 1.00 0.00 H ATOM 1251 HH11 ARG A 133 -16.725 -4.949 -10.102 1.00 0.00 H ATOM 1252 HH22 ARG A 133 -16.487 -4.306 -6.646 1.00 0.00 H ATOM 1253 HH21 ARG A 133 -14.947 -5.214 -6.430 1.00 0.00 H ATOM 1254 H ARG A 133 -12.826 -4.364 -13.480 1.00 0.00 H ATOM 1255 N VAL A 134 -14.007 -1.498 -12.566 1.00 15.63 N ATOM 1256 CA VAL A 134 -14.403 -0.097 -12.583 1.00 15.68 C ATOM 1257 C VAL A 134 -15.741 0.053 -13.287 1.00 16.19 C ATOM 1258 O VAL A 134 -16.643 0.743 -12.799 1.00 16.44 O ATOM 1259 CB VAL A 134 -13.310 0.762 -13.239 1.00 16.03 C ATOM 1260 CG1 VAL A 134 -13.772 2.211 -13.297 1.00 17.23 C ATOM 1261 CG2 VAL A 134 -11.964 0.649 -12.491 1.00 16.92 C ATOM 1262 H VAL A 134 -13.110 -1.796 -13.000 1.00 0.00 H ATOM 1263 N ARG A 135 -15.902 -0.620 -14.434 1.00 15.88 N ATOM 1264 CA ARG A 135 -17.148 -0.526 -15.168 1.00 16.71 C ATOM 1265 C ARG A 135 -18.308 -1.041 -14.330 1.00 15.96 C ATOM 1266 O ARG A 135 -19.367 -0.403 -14.256 1.00 16.45 O ATOM 1267 CB ARG A 135 -17.036 -1.311 -16.467 1.00 18.26 C ATOM 1268 CG ARG A 135 -18.243 -1.153 -17.335 1.00 21.56 C ATOM 1269 CD ARG A 135 -18.058 -1.718 -18.740 1.00 26.43 C ATOM 1270 NE ARG A 135 -19.043 -1.109 -19.633 1.00 31.86 N ATOM 1271 CZ ARG A 135 -18.826 -0.096 -20.477 1.00 34.99 C ATOM 1272 NH1 ARG A 135 -17.622 0.497 -20.616 1.00 35.85 N ATOM 1273 NH2 ARG A 135 -19.851 0.338 -21.185 1.00 36.10 N ATOM 1274 HE ARG A 135 -20.005 -1.502 -19.609 1.00 0.00 H ATOM 1275 HH12 ARG A 135 -17.504 1.283 -21.287 1.00 0.00 H ATOM 1276 HH11 ARG A 135 -16.812 0.168 -20.052 1.00 0.00 H ATOM 1277 HH22 ARG A 135 -19.725 1.125 -21.854 1.00 0.00 H ATOM 1278 HH21 ARG A 135 -20.785 -0.106 -21.075 1.00 0.00 H ATOM 1279 H ARG A 135 -15.129 -1.213 -14.799 1.00 0.00 H ATOM 1280 N GLN A 136 -18.138 -2.218 -13.721 1.00 16.33 N ATOM 1281 CA GLN A 136 -19.171 -2.787 -12.864 1.00 18.23 C ATOM 1282 C GLN A 136 -19.589 -1.820 -11.766 1.00 16.86 C ATOM 1283 O GLN A 136 -20.784 -1.650 -11.505 1.00 16.82 O ATOM 1284 CB GLN A 136 -18.677 -4.088 -12.244 1.00 20.51 C ATOM 1285 CG GLN A 136 -18.538 -5.225 -13.218 1.00 23.69 C ATOM 1286 CD GLN A 136 -17.844 -6.403 -12.588 1.00 28.26 C ATOM 1287 OE1 GLN A 136 -17.651 -6.437 -11.375 1.00 27.53 O ATOM 1288 NE2 GLN A 136 -17.460 -7.371 -13.402 1.00 31.30 N ATOM 1289 HE22 GLN A 136 -17.646 -7.297 -14.423 1.00 0.00 H ATOM 1290 HE21 GLN A 136 -16.972 -8.207 -13.022 1.00 0.00 H ATOM 1291 H GLN A 136 -17.249 -2.740 -13.861 1.00 0.00 H ATOM 1292 N GLN A 137 -18.625 -1.172 -11.108 1.00 15.89 N ATOM 1293 CA GLN A 137 -18.978 -0.250 -10.025 1.00 15.96 C ATOM 1294 C GLN A 137 -19.810 0.909 -10.543 1.00 14.19 C ATOM 1295 O GLN A 137 -20.784 1.328 -9.895 1.00 15.07 O ATOM 1296 CB GLN A 137 -17.731 0.261 -9.313 1.00 16.40 C ATOM 1297 CG GLN A 137 -16.890 -0.803 -8.647 1.00 16.96 C ATOM 1298 CD GLN A 137 -17.632 -1.565 -7.586 1.00 17.47 C ATOM 1299 OE1 GLN A 137 -18.323 -2.558 -7.858 1.00 18.31 O ATOM 1300 NE2 GLN A 137 -17.491 -1.117 -6.361 1.00 18.14 N ATOM 1301 HE22 GLN A 137 -16.901 -0.280 -6.178 1.00 0.00 H ATOM 1302 HE21 GLN A 137 -17.969 -1.599 -5.573 1.00 0.00 H ATOM 1303 H GLN A 137 -17.628 -1.321 -11.363 1.00 0.00 H ATOM 1304 N VAL A 138 -19.444 1.445 -11.712 1.00 14.14 N ATOM 1305 CA VAL A 138 -20.201 2.534 -12.313 1.00 14.03 C ATOM 1306 C VAL A 138 -21.631 2.099 -12.596 1.00 14.40 C ATOM 1307 O VAL A 138 -22.594 2.785 -12.234 1.00 13.94 O ATOM 1308 CB VAL A 138 -19.513 3.023 -13.598 1.00 14.72 C ATOM 1309 CG1 VAL A 138 -20.428 3.978 -14.339 1.00 15.37 C ATOM 1310 CG2 VAL A 138 -18.185 3.698 -13.269 1.00 15.15 C ATOM 1311 H VAL A 138 -18.603 1.077 -12.201 1.00 0.00 H ATOM 1312 N ILE A 139 -21.795 0.950 -13.271 1.00 14.58 N ATOM 1313 CA ILE A 139 -23.115 0.468 -13.680 1.00 15.56 C ATOM 1314 C ILE A 139 -23.982 0.189 -12.455 1.00 15.39 C ATOM 1315 O ILE A 139 -25.195 0.405 -12.456 1.00 15.56 O ATOM 1316 CB ILE A 139 -22.947 -0.776 -14.588 1.00 16.88 C ATOM 1317 CG1 ILE A 139 -22.193 -0.439 -15.871 1.00 18.16 C ATOM 1318 CG2 ILE A 139 -24.252 -1.374 -14.963 1.00 17.62 C ATOM 1319 CD1 ILE A 139 -22.762 0.731 -16.609 1.00 18.00 C ATOM 1320 H ILE A 139 -20.956 0.384 -13.511 1.00 0.00 H ATOM 1321 N GLN A 140 -23.359 -0.308 -11.384 1.00 15.11 N ATOM 1322 CA GLN A 140 -24.120 -0.597 -10.179 1.00 15.92 C ATOM 1323 C GLN A 140 -24.668 0.687 -9.566 1.00 15.59 C ATOM 1324 O GLN A 140 -25.818 0.726 -9.127 1.00 16.64 O ATOM 1325 CB GLN A 140 -23.264 -1.389 -9.197 1.00 17.13 C ATOM 1326 CG GLN A 140 -23.069 -2.835 -9.648 1.00 17.84 C ATOM 1327 CD GLN A 140 -22.082 -3.603 -8.810 1.00 19.09 C ATOM 1328 OE1 GLN A 140 -21.826 -3.269 -7.659 1.00 18.33 O ATOM 1329 NE2 GLN A 140 -21.507 -4.649 -9.392 1.00 21.27 N ATOM 1330 HE22 GLN A 140 -21.752 -4.899 -10.371 1.00 0.00 H ATOM 1331 HE21 GLN A 140 -20.812 -5.218 -8.869 1.00 0.00 H ATOM 1332 H GLN A 140 -22.335 -0.488 -11.411 1.00 0.00 H ATOM 1333 N LEU A 141 -23.874 1.757 -9.555 1.00 15.03 N ATOM 1334 CA LEU A 141 -24.385 3.042 -9.071 1.00 15.30 C ATOM 1335 C LEU A 141 -25.487 3.588 -9.981 1.00 14.74 C ATOM 1336 O LEU A 141 -26.476 4.157 -9.495 1.00 16.63 O ATOM 1337 CB LEU A 141 -23.235 4.044 -8.915 1.00 17.23 C ATOM 1338 CG LEU A 141 -22.247 3.719 -7.778 1.00 17.75 C ATOM 1339 CD1 LEU A 141 -21.125 4.734 -7.726 1.00 19.74 C ATOM 1340 CD2 LEU A 141 -22.926 3.573 -6.397 1.00 20.23 C ATOM 1341 H LEU A 141 -22.892 1.680 -9.890 1.00 0.00 H ATOM 1342 N LEU A 142 -25.342 3.446 -11.293 1.00 14.10 N ATOM 1343 CA LEU A 142 -26.403 3.889 -12.197 1.00 14.92 C ATOM 1344 C LEU A 142 -27.699 3.136 -11.946 1.00 14.98 C ATOM 1345 O LEU A 142 -28.777 3.734 -11.973 1.00 16.27 O ATOM 1346 CB LEU A 142 -25.970 3.757 -13.650 1.00 14.96 C ATOM 1347 CG LEU A 142 -24.845 4.692 -14.092 1.00 16.45 C ATOM 1348 CD1 LEU A 142 -24.483 4.434 -15.539 1.00 16.88 C ATOM 1349 CD2 LEU A 142 -25.222 6.145 -13.892 1.00 19.84 C ATOM 1350 H LEU A 142 -24.475 3.020 -11.678 1.00 0.00 H ATOM 1351 N SER A 143 -27.619 1.827 -11.705 1.00 14.47 N ATOM 1352 CA SER A 143 -28.804 1.002 -11.494 1.00 15.06 C ATOM 1353 C SER A 143 -29.438 1.259 -10.139 1.00 15.65 C ATOM 1354 O SER A 143 -30.607 0.929 -9.943 1.00 16.66 O ATOM 1355 CB SER A 143 -28.424 -0.480 -11.572 1.00 17.02 C ATOM 1356 OG SER A 143 -27.691 -0.902 -10.424 1.00 18.99 O ATOM 1357 HG SER A 143 -26.858 -0.371 -10.352 1.00 0.00 H ATOM 1358 H SER A 143 -26.681 1.379 -11.666 1.00 0.00 H ATOM 1359 N GLY A 144 -28.677 1.827 -9.211 1.00 15.83 N ATOM 1360 CA GLY A 144 -29.100 2.051 -7.849 1.00 17.42 C ATOM 1361 C GLY A 144 -29.583 3.464 -7.637 1.00 18.74 C ATOM 1362 O GLY A 144 -30.643 3.840 -8.146 1.00 19.41 O ATOM 1363 H GLY A 144 -27.719 2.129 -9.481 1.00 0.00 H ATOM 1364 N TYR A 145 -28.783 4.288 -6.968 1.00 20.99 N ATOM 1365 CA TYR A 145 -29.306 5.578 -6.534 1.00 23.40 C ATOM 1366 C TYR A 145 -29.557 6.523 -7.700 1.00 21.60 C ATOM 1367 O TYR A 145 -30.420 7.391 -7.596 1.00 23.74 O ATOM 1368 CB TYR A 145 -28.410 6.219 -5.477 1.00 25.02 C ATOM 1369 CG TYR A 145 -27.171 6.906 -5.997 1.00 27.09 C ATOM 1370 CD1 TYR A 145 -27.181 8.258 -6.301 1.00 27.79 C ATOM 1371 CD2 TYR A 145 -25.980 6.215 -6.148 1.00 26.94 C ATOM 1372 CE1 TYR A 145 -26.059 8.893 -6.764 1.00 28.52 C ATOM 1373 CE2 TYR A 145 -24.838 6.847 -6.607 1.00 28.62 C ATOM 1374 CZ TYR A 145 -24.882 8.185 -6.919 1.00 29.05 C ATOM 1375 OH TYR A 145 -23.747 8.826 -7.379 1.00 31.11 O ATOM 1376 HH TYR A 145 -23.955 9.778 -7.554 1.00 0.00 H ATOM 1377 H TYR A 145 -27.801 4.017 -6.758 1.00 0.00 H ATOM 1378 N LYS A 146 -28.884 6.348 -8.841 1.00 19.51 N ATOM 1379 CA LYS A 146 -29.171 7.240 -9.961 1.00 19.41 C ATOM 1380 C LYS A 146 -30.551 6.948 -10.544 1.00 17.43 C ATOM 1381 O LYS A 146 -31.335 7.867 -10.816 1.00 17.81 O ATOM 1382 CB LYS A 146 -28.076 7.147 -11.025 1.00 20.77 C ATOM 1383 CG LYS A 146 -26.681 7.557 -10.502 1.00 21.95 C ATOM 1384 CD LYS A 146 -26.556 9.055 -10.246 1.00 22.81 C ATOM 1385 CE LYS A 146 -26.399 9.843 -11.547 1.00 23.40 C ATOM 1386 NZ LYS A 146 -26.195 11.300 -11.301 1.00 23.99 N ATOM 1387 HZ1 LYS A 146 -27.015 11.682 -10.788 1.00 0.00 H ATOM 1388 HZ2 LYS A 146 -25.335 11.437 -10.733 1.00 0.00 H ATOM 1389 HZ3 LYS A 146 -26.094 11.793 -12.211 1.00 0.00 H ATOM 1390 H LYS A 146 -28.173 5.594 -8.929 1.00 0.00 H ATOM 1391 N LEU A 147 -30.877 5.669 -10.718 1.00 17.16 N ATOM 1392 CA LEU A 147 -32.216 5.305 -11.159 1.00 17.53 C ATOM 1393 C LEU A 147 -33.250 5.702 -10.116 1.00 18.79 C ATOM 1394 O LEU A 147 -34.302 6.248 -10.456 1.00 18.87 O ATOM 1395 CB LEU A 147 -32.260 3.810 -11.480 1.00 15.99 C ATOM 1396 CG LEU A 147 -33.616 3.187 -11.804 1.00 16.50 C ATOM 1397 CD1 LEU A 147 -34.289 3.863 -12.979 1.00 17.42 C ATOM 1398 CD2 LEU A 147 -33.462 1.715 -12.067 1.00 16.68 C ATOM 1399 H LEU A 147 -30.172 4.926 -10.538 1.00 0.00 H ATOM 1400 N ALA A 148 -32.940 5.492 -8.831 1.00 19.36 N ATOM 1401 CA ALA A 148 -33.856 5.917 -7.776 1.00 21.54 C ATOM 1402 C ALA A 148 -34.129 7.413 -7.868 1.00 22.40 C ATOM 1403 O ALA A 148 -35.278 7.858 -7.765 1.00 24.43 O ATOM 1404 CB ALA A 148 -33.281 5.568 -6.401 1.00 22.09 C ATOM 1405 H ALA A 148 -32.044 5.025 -8.583 1.00 0.00 H ATOM 1406 N ALA A 149 -33.082 8.212 -8.083 1.00 21.58 N ATOM 1407 CA ALA A 149 -33.275 9.658 -8.151 1.00 22.61 C ATOM 1408 C ALA A 149 -34.138 10.044 -9.346 1.00 24.04 C ATOM 1409 O ALA A 149 -34.965 10.959 -9.258 1.00 25.65 O ATOM 1410 CB ALA A 149 -31.921 10.362 -8.215 1.00 22.89 C ATOM 1411 H ALA A 149 -32.132 7.806 -8.202 1.00 0.00 H ATOM 1412 N ALA A 150 -33.961 9.362 -10.474 1.00 22.94 N ATOM 1413 CA ALA A 150 -34.727 9.692 -11.671 1.00 23.61 C ATOM 1414 C ALA A 150 -36.193 9.336 -11.499 1.00 25.83 C ATOM 1415 O ALA A 150 -37.066 10.029 -12.027 1.00 26.55 O ATOM 1416 CB ALA A 150 -34.150 8.942 -12.865 1.00 23.96 C ATOM 1417 H ALA A 150 -33.270 8.586 -10.503 1.00 0.00 H ATOM 1418 N LEU A 151 -36.484 8.282 -10.743 1.00 26.52 N ATOM 1419 CA LEU A 151 -37.866 7.864 -10.551 1.00 28.33 C ATOM 1420 C LEU A 151 -38.616 8.753 -9.573 1.00 34.63 C ATOM 1421 O LEU A 151 -39.852 8.773 -9.607 1.00 34.91 O ATOM 1422 CB LEU A 151 -37.919 6.404 -10.085 1.00 25.00 C ATOM 1423 CG LEU A 151 -37.547 5.371 -11.157 1.00 24.18 C ATOM 1424 CD1 LEU A 151 -37.309 4.028 -10.542 1.00 22.22 C ATOM 1425 CD2 LEU A 151 -38.615 5.255 -12.227 1.00 28.80 C ATOM 1426 H LEU A 151 -35.717 7.750 -10.284 1.00 0.00 H ATOM 1427 N GLU A 152 -37.911 9.483 -8.714 1.00 41.09 N ATOM 1428 CA GLU A 152 -38.562 10.351 -7.736 1.00 49.64 C ATOM 1429 C GLU A 152 -38.900 11.694 -8.373 1.00 50.33 C ATOM 1430 O GLU A 152 -40.069 12.080 -8.444 1.00 51.02 O ATOM 1431 CB GLU A 152 -37.672 10.542 -6.498 1.00 57.16 C ATOM 1432 CG GLU A 152 -36.719 11.724 -6.563 1.00 83.09 C ATOM 1433 CD GLU A 152 -35.777 11.781 -5.373 1.00 91.83 C ATOM 1434 OE1 GLU A 152 -35.711 10.791 -4.612 1.00 74.03 O ATOM 1435 OE2 GLU A 152 -35.101 12.817 -5.197 1.00 92.18 O ATOM 1436 H GLU A 152 -36.872 9.435 -8.739 1.00 0.00 H TER 1437 GLU A 152 HETATM 1438 NA NA A 1 -8.441 4.810 -21.986 1.00 22.38 NA HETATM 1439 NA NA A 2 -3.844 -6.517 -19.864 1.00 20.26 NA HETATM 1440 NA NA A 3 -6.314 -6.314 -6.314 1.00 19.88 NA HETATM 1441 NA NA A 4 -8.233 -8.233 -8.233 1.00 19.34 NA HETATM 1442 O HOH 5 -6.392 18.464 -32.137 1.00 46.68 O HETATM 1443 O HOH 6 8.105 20.130 -19.441 1.00 50.04 O HETATM 1444 O HOH 7 -11.733 23.029 -7.786 1.00 53.90 O HETATM 1445 O HOH 8 -34.654 13.261 -7.449 1.00 47.05 O HETATM 1446 O HOH 9 10.656 29.717 -19.183 1.00 44.97 O HETATM 1447 O HOH 10 5.314 22.622 -20.530 1.00 38.95 O HETATM 1448 O HOH 11 1.113 12.228 -4.993 1.00 32.79 O HETATM 1449 O HOH 12 -22.739 -2.639 -5.534 1.00 16.26 O HETATM 1450 O HOH 13 -14.561 11.840 -3.424 1.00 36.18 O HETATM 1451 O HOH 14 -5.548 1.039 -3.127 1.00 14.44 O HETATM 1452 O HOH 15 -22.654 2.307 -22.536 1.00 31.31 O HETATM 1453 O HOH 16 -22.954 11.206 -7.323 1.00 40.99 O HETATM 1454 O HOH 17 -19.739 23.095 -22.078 1.00 41.68 O HETATM 1455 O HOH 18 2.925 30.683 -23.806 1.00 42.62 O HETATM 1456 O HOH 19 -36.812 12.102 -13.564 1.00 50.74 O HETATM 1457 O HOH 20 1.834 15.385 -8.027 1.00 42.86 O HETATM 1458 O HOH 21 -10.570 8.453 -4.475 1.00 20.65 O HETATM 1459 O HOH 22 -19.249 2.194 -26.516 1.00 27.72 O HETATM 1460 O HOH 23 5.098 1.035 -14.270 1.00 33.93 O HETATM 1461 O HOH 24 -21.907 11.375 -11.876 1.00 17.25 O HETATM 1462 O HOH 25 -25.748 22.695 -21.534 1.00 55.09 O HETATM 1463 O HOH 26 4.349 28.505 -19.544 1.00 48.60 O HETATM 1464 O HOH 27 -8.629 26.776 -20.415 1.00 27.63 O HETATM 1465 O HOH 28 -32.668 13.364 -26.898 1.00 50.61 O HETATM 1466 O HOH 29 -1.528 16.835 -11.166 1.00 24.73 O HETATM 1467 O HOH 30 -0.269 6.396 -24.442 1.00 21.78 O HETATM 1468 O HOH 31 -8.091 -4.696 -16.279 1.00 18.89 O HETATM 1469 O HOH 32 -4.819 -1.966 -20.819 1.00 34.47 O HETATM 1470 O HOH 33 -11.366 -2.303 -21.622 1.00 33.46 O HETATM 1471 O HOH 34 1.024 21.593 -26.055 1.00 30.72 O HETATM 1472 O HOH 35 1.505 13.009 -19.765 1.00 34.23 O HETATM 1473 O HOH 36 -16.262 12.046 -10.837 1.00 17.59 O HETATM 1474 O HOH 37 -2.392 -3.096 -22.893 1.00 34.70 O HETATM 1475 O HOH 38 -1.786 -0.421 -25.308 1.00 30.27 O HETATM 1476 O HOH 39 5.448 2.241 -8.037 1.00 45.72 O HETATM 1477 O HOH 40 -21.529 12.769 -3.920 1.00 47.57 O HETATM 1478 O HOH 41 0.270 -1.249 -6.778 1.00 22.43 O HETATM 1479 O HOH 42 -12.613 11.630 -5.180 1.00 27.55 O HETATM 1480 O HOH 43 3.146 23.288 -12.505 1.00 39.19 O HETATM 1481 O HOH 44 0.842 10.342 -22.050 1.00 27.17 O HETATM 1482 O HOH 45 -28.806 16.711 -22.008 1.00 37.89 O HETATM 1483 O HOH 46 -2.862 -5.035 -9.889 1.00 24.58 O HETATM 1484 O HOH 47 -18.784 8.920 -30.412 1.00 31.56 O HETATM 1485 O HOH 48 -25.074 12.092 -13.740 1.00 21.18 O HETATM 1486 O HOH 49 2.855 4.619 -20.488 1.00 37.95 O HETATM 1487 O HOH 50 0.201 2.713 -21.045 1.00 43.43 O HETATM 1488 O HOH 51 -26.859 17.563 -20.243 1.00 35.70 O HETATM 1489 O HOH 52 -25.779 0.104 -6.443 1.00 26.57 O HETATM 1490 O HOH 53 -15.713 -0.813 -1.785 1.00 19.14 O HETATM 1491 O HOH 54 -7.021 -4.205 -5.637 1.00 19.35 O HETATM 1492 O HOH 55 -12.193 -2.275 -24.041 1.00 35.79 O HETATM 1493 O HOH 56 -30.531 10.260 -11.936 1.00 22.82 O HETATM 1494 O HOH 57 -13.522 18.997 -6.231 1.00 35.70 O HETATM 1495 O HOH 58 -29.637 3.165 -27.157 1.00 27.05 O HETATM 1496 O HOH 59 -8.502 10.465 -31.587 1.00 26.20 O HETATM 1497 O HOH 60 -0.538 25.113 -24.091 1.00 44.32 O HETATM 1498 O HOH 61 -7.480 -8.982 -10.419 1.00 18.81 O HETATM 1499 O HOH 62 -33.865 6.416 -24.402 1.00 38.62 O HETATM 1500 O HOH 63 -37.322 6.579 -6.374 1.00 27.68 O HETATM 1501 O HOH 64 0.852 14.605 -21.608 1.00 32.25 O HETATM 1502 O HOH 65 -31.003 8.586 -5.149 1.00 37.81 O HETATM 1503 O HOH 66 -4.966 -6.702 -10.332 1.00 21.37 O HETATM 1504 O HOH 67 -19.362 23.188 -14.767 1.00 30.23 O HETATM 1505 O HOH 68 -12.357 9.195 -6.393 1.00 23.08 O HETATM 1506 O HOH 69 -28.184 0.319 -27.455 1.00 29.52 O HETATM 1507 O HOH 70 -20.205 -7.593 -11.355 1.00 42.15 O HETATM 1508 O HOH 71 -2.286 0.737 -21.067 1.00 34.49 O HETATM 1509 O HOH 72 -6.724 -0.330 -4.906 1.00 18.04 O HETATM 1510 O HOH 73 -17.799 18.711 -8.073 1.00 35.95 O HETATM 1511 O HOH 74 -8.552 24.283 -16.258 1.00 25.54 O HETATM 1512 O HOH 75 -8.349 -3.000 -22.507 1.00 30.53 O HETATM 1513 O HOH 76 -20.829 0.536 -7.182 1.00 17.51 O HETATM 1514 O HOH 77 -26.361 20.343 -20.879 1.00 48.61 O HETATM 1515 O HOH 78 -9.763 -4.823 -9.407 1.00 20.08 O HETATM 1516 O HOH 79 -4.024 1.609 -4.890 1.00 19.44 O HETATM 1517 O HOH 80 -33.567 8.921 -4.391 1.00 42.44 O HETATM 1518 O HOH 81 -17.227 5.520 -2.873 1.00 27.33 O HETATM 1519 O HOH 82 -31.407 10.547 -20.386 1.00 21.31 O HETATM 1520 O HOH 83 1.276 27.973 -16.112 1.00 41.36 O HETATM 1521 O HOH 84 -8.752 0.980 -28.011 1.00 24.86 O HETATM 1522 O HOH 85 -28.879 11.959 -10.462 1.00 27.61 O HETATM 1523 O HOH 86 5.781 19.954 -20.947 1.00 31.85 O HETATM 1524 O HOH 87 -17.945 -7.890 -8.871 1.00 34.55 O HETATM 1525 O HOH 88 -15.896 12.350 -34.917 1.00 47.94 O HETATM 1526 O HOH 89 -8.829 10.569 -3.641 1.00 23.84 O HETATM 1527 O HOH 90 -17.721 -5.048 -16.592 1.00 36.42 O HETATM 1528 O HOH 91 -2.500 -3.283 -7.115 1.00 23.24 O HETATM 1529 O HOH 92 -5.967 25.125 -15.678 1.00 27.82 O HETATM 1530 O HOH 93 -26.262 11.623 -24.324 1.00 29.24 O HETATM 1531 O HOH 94 -17.912 -4.234 -5.153 1.00 18.93 O HETATM 1532 O HOH 95 -28.795 10.304 -14.099 1.00 26.18 O HETATM 1533 O HOH 96 -21.777 -2.224 -19.215 1.00 32.08 O HETATM 1534 O HOH 97 -9.677 5.439 -2.273 1.00 39.50 O HETATM 1535 O HOH 98 -21.550 2.277 -34.678 1.00 27.47 O HETATM 1536 O HOH 99 -4.795 -1.687 -18.328 1.00 28.30 O HETATM 1537 O HOH 100 -18.271 11.039 -2.897 1.00 43.88 O HETATM 1538 O HOH 101 -29.185 15.312 -25.991 1.00 41.50 O HETATM 1539 O HOH 102 -10.498 -5.798 -16.931 1.00 22.24 O HETATM 1540 O HOH 103 5.466 2.737 -18.756 1.00 38.80 O HETATM 1541 O HOH 104 -20.438 -1.712 -5.461 1.00 19.95 O HETATM 1542 O HOH 105 -19.574 -6.074 -7.518 1.00 23.66 O HETATM 1543 O HOH 106 -34.396 12.807 -20.740 1.00 38.57 O HETATM 1544 O HOH 107 -26.410 -2.905 -8.497 1.00 28.79 O HETATM 1545 O HOH 108 -19.047 2.239 -5.920 1.00 24.25 O HETATM 1546 O HOH 109 -15.797 -1.735 -21.657 1.00 24.13 O HETATM 1547 O HOH 110 -5.217 4.767 -2.251 1.00 34.33 O HETATM 1548 O HOH 111 3.133 17.978 -9.561 1.00 41.11 O HETATM 1549 O HOH 112 -23.845 12.669 -9.819 1.00 22.85 O HETATM 1550 O HOH 113 -1.544 20.226 -30.553 1.00 34.43 O HETATM 1551 O HOH 114 -21.556 17.894 -5.358 1.00 40.47 O HETATM 1552 O HOH 115 -3.020 23.887 -12.126 1.00 44.55 O HETATM 1553 O HOH 116 -4.546 25.415 -13.707 1.00 39.73 O HETATM 1554 O HOH 117 -21.125 24.383 -16.842 1.00 50.88 O HETATM 1555 O HOH 118 -24.338 19.311 -32.608 1.00 47.27 O HETATM 1556 O HOH 119 -15.688 9.861 -3.968 1.00 37.39 O HETATM 1557 O HOH 120 -2.170 30.282 -18.277 1.00 32.22 O HETATM 1558 O HOH 121 -21.422 -4.722 -4.882 1.00 23.77 O HETATM 1559 O HOH 122 0.952 8.346 -3.049 1.00 43.27 O HETATM 1560 O HOH 123 -28.305 15.905 -28.227 1.00 45.82 O HETATM 1561 O HOH 124 -26.028 19.730 -14.876 1.00 21.03 O HETATM 1562 O HOH 125 -34.362 8.557 -23.773 1.00 44.05 O HETATM 1563 O HOH 126 -20.312 7.046 -31.637 1.00 41.79 O HETATM 1564 O HOH 127 -24.148 18.473 -12.730 1.00 19.56 O HETATM 1565 O HOH 128 0.711 22.870 -23.370 1.00 36.03 O HETATM 1566 O HOH 129 -15.528 17.755 -4.083 1.00 50.88 O HETATM 1567 O HOH 130 -4.087 4.797 -5.057 1.00 13.59 O HETATM 1568 O HOH 131 -7.112 -6.100 -8.637 1.00 18.48 O HETATM 1569 O HOH 132 -26.640 2.598 -5.123 1.00 18.88 O HETATM 1570 O HOH 133 -1.969 1.670 -27.393 1.00 22.01 O HETATM 1571 O HOH 134 -27.460 -1.534 -24.598 1.00 45.59 O HETATM 1572 O HOH 135 0.695 3.545 -27.547 1.00 27.14 O HETATM 1573 O HOH 136 -17.687 -2.275 -3.235 1.00 21.44 O HETATM 1574 O HOH 137 1.696 -1.193 -17.467 1.00 41.75 O HETATM 1575 O HOH 138 3.592 -0.874 -15.899 1.00 22.89 O HETATM 1576 O HOH 139 -7.526 4.846 -1.119 1.00 37.94 O HETATM 1577 O HOH 140 -22.345 -5.533 -12.573 1.00 29.95 O HETATM 1578 O HOH 141 -18.246 -3.608 -21.820 1.00 45.61 O HETATM 1579 O HOH 142 -2.453 19.986 -5.230 1.00 47.55 O HETATM 1580 O HOH 143 -4.722 29.108 -17.340 1.00 50.74 O HETATM 1581 O HOH 144 -3.602 6.325 -0.506 1.00 50.84 O HETATM 1582 O HOH 145 -3.871 -2.805 -4.846 1.00 44.85 O HETATM 1583 O HOH 146 -4.820 20.678 -6.321 1.00 35.83 O HETATM 1584 O HOH 147 -20.671 5.017 -35.471 1.00 30.21 O HETATM 1585 O HOH 148 -6.453 28.182 -19.556 1.00 38.29 O HETATM 1586 O HOH 149 -13.717 13.867 -2.609 1.00 47.54 O HETATM 1587 O HOH 150 2.718 0.123 -7.805 1.00 35.67 O HETATM 1588 O HOH 151 -23.563 -7.032 -11.009 1.00 36.32 O HETATM 1589 O HOH 152 4.869 30.401 -22.225 1.00 51.55 O HETATM 1590 O HOH 153 -25.125 -2.901 -6.243 1.00 43.17 O HETATM 1591 O HOH 154 -16.106 1.411 -30.039 1.00 31.48 O HETATM 1592 O HOH 155 -4.109 2.229 -1.763 1.00 30.61 O HETATM 1593 O HOH 156 -16.814 23.830 -15.679 1.00 35.60 O HETATM 1594 O HOH 157 -24.673 15.704 -12.260 1.00 29.81 O HETATM 1595 O HOH 158 -32.447 12.492 -11.830 1.00 32.36 O HETATM 1596 O HOH 159 -9.652 -8.386 -15.357 1.00 31.77 O HETATM 1597 O HOH 160 11.360 25.182 -20.755 1.00 40.85 O HETATM 1598 O HOH 161 -20.867 23.904 -24.451 1.00 49.12 O HETATM 1599 O HOH 162 -0.060 24.727 -12.328 1.00 30.49 O HETATM 1600 O HOH 163 -23.189 19.909 -10.276 1.00 29.84 O HETATM 1601 O HOH 164 -22.657 -7.293 -6.845 1.00 50.05 O HETATM 1602 O HOH 165 -23.097 -0.165 -5.741 1.00 21.98 O HETATM 1603 O HOH 166 0.564 2.039 -25.017 1.00 35.33 O HETATM 1604 O HOH 167 -27.691 13.222 -14.309 1.00 38.45 O HETATM 1605 O HOH 168 -6.286 22.233 -6.875 1.00 51.13 O HETATM 1606 O HOH 169 -19.619 7.207 -34.362 1.00 57.09 O HETATM 1607 O HOH 170 -4.176 24.198 -9.915 1.00 50.49 O HETATM 1608 O HOH 171 0.235 4.147 -23.008 1.00 37.34 O HETATM 1609 O HOH 172 -19.822 3.988 -3.722 1.00 33.46 O HETATM 1610 O HOH 173 -2.585 -1.424 -19.909 1.00 32.41 O HETATM 1611 O HOH 174 -10.675 3.609 -34.025 1.00 49.31 O HETATM 1612 O HOH 175 0.503 17.089 -9.350 1.00 33.31 O HETATM 1613 O HOH 176 -28.776 14.383 -11.650 1.00 49.56 O HETATM 1614 O HOH 177 -34.705 13.320 -12.796 1.00 50.73 O HETATM 1615 O HOH 178 -32.281 14.112 -9.616 1.00 48.54 O HETATM 1616 O HOH 179 -9.719 13.210 -3.662 1.00 39.12 O HETATM 1617 O HOH 180 -15.233 -3.746 -19.265 1.00 42.33 O HETATM 1618 O HOH 181 -3.904 -0.667 -2.831 1.00 27.48 O HETATM 1619 O HOH 182 -19.951 -0.409 -2.921 1.00 33.33 O HETATM 1620 O HOH 183 -26.465 13.533 -7.578 1.00 49.91 O HETATM 1621 O HOH 184 -20.171 24.247 -12.473 1.00 33.33 O HETATM 1622 O HOH 185 -28.579 11.834 -7.574 1.00 33.48 O HETATM 1623 O HOH 186 -18.554 -6.666 -4.011 1.00 21.03 O HETATM 1624 O HOH 187 -15.131 24.764 -13.536 1.00 34.30 O HETATM 1625 O HOH 188 -9.119 -11.055 -11.715 1.00 29.40 O HETATM 1626 O HOH 189 -31.505 13.371 -19.125 1.00 21.94 O HETATM 1627 O HOH 190 -2.296 1.120 -3.319 1.00 27.78 O HETATM 1628 O HOH 191 0.623 -0.780 -23.116 1.00 32.22 O HETATM 1629 O HOH 192 -15.549 10.504 -37.062 1.00 50.18 O HETATM 1630 O HOH 193 -29.072 18.439 -25.476 1.00 50.36 O HETATM 1631 O HOH 194 1.059 27.142 -13.746 1.00 48.65 O HETATM 1632 O HOH 195 -1.400 4.101 -3.949 1.00 33.87 O HETATM 1633 O HOH 196 -7.979 -5.102 -20.473 1.00 31.84 O HETATM 1634 O HOH 197 -4.289 23.685 -29.126 1.00 48.01 O HETATM 1635 O HOH 198 -11.547 13.019 -1.447 1.00 50.21 O HETATM 1636 O HOH 199 -17.895 25.398 -17.487 1.00 47.41 O HETATM 1637 O HOH 200 -29.667 14.286 -16.725 1.00 46.80 O HETATM 1638 O HOH 201 -11.261 23.237 -36.755 1.00 33.95 O HETATM 1639 O HOH 202 -10.045 17.106 -33.022 1.00 38.57 O HETATM 1640 O HOH 203 -18.258 24.203 -24.567 1.00 37.64 O HETATM 1641 O HOH 204 -16.840 22.858 -31.475 1.00 49.65 O HETATM 1642 O HOH 205 -12.159 19.468 -36.189 1.00 33.70 O HETATM 1643 O HOH 206 -20.083 15.953 -35.260 1.00 40.83 O HETATM 1644 O HOH 207 -17.280 23.232 -28.093 1.00 30.11 O HETATM 1645 O HOH 208 -18.353 20.188 -33.412 1.00 41.12 O HETATM 1646 O HOH 209 -19.427 14.328 -37.224 1.00 41.30 O HETATM 1647 O HOH 210 -12.977 15.832 -33.930 1.00 43.99 O HETATM 1648 CB F A 7 -16.425 19.852 -28.809 1.00 0.03 C HETATM 1649 CA F A 7 -14.929 20.231 -28.803 1.00 0.29 C HETATM 1650 C F A 7 -14.429 20.184 -30.234 1.00 0.26 C HETATM 1651 O F A 7 -14.953 20.917 -31.042 1.00 -0.34 O HETATM 1652 N F A 7 -13.450 19.346 -30.591 1.00 -0.25 N HETATM 1653 CN F A 7 -13.076 19.168 -31.993 1.00 0.03 C HETATM 1654 H19 F A 7 -13.645 19.873 -32.617 1.00 0.05 H HETATM 1655 H20 F A 7 -13.302 18.138 -32.305 1.00 0.05 H HETATM 1656 H21 F A 7 -11.999 19.360 -32.112 1.00 0.05 H HETATM 1657 CA F A 7 -12.728 18.433 -29.678 1.00 0.13 C HETATM 1658 CB F A 7 -13.156 16.980 -29.897 1.00 -0.01 C HETATM 1659 CG F A 7 -12.695 15.991 -28.853 1.00 -0.04 C HETATM 1660 CD1 F A 7 -12.995 16.418 -27.431 1.00 -0.06 C HETATM 1661 H26 F A 7 -12.631 15.650 -26.733 1.00 0.02 H HETATM 1662 H27 F A 7 -14.081 16.541 -27.306 1.00 0.02 H HETATM 1663 H28 F A 7 -12.491 17.373 -27.221 1.00 0.02 H HETATM 1664 CD2 F A 7 -13.299 14.625 -29.159 1.00 -0.06 C HETATM 1665 H29 F A 7 -13.064 14.344 -30.196 1.00 0.02 H HETATM 1666 H30 F A 7 -14.390 14.669 -29.029 1.00 0.02 H HETATM 1667 H31 F A 7 -12.878 13.876 -28.472 1.00 0.02 H HETATM 1668 H25 F A 7 -11.602 15.905 -28.940 1.00 0.03 H HETATM 1669 H23 F A 7 -12.757 16.654 -30.869 1.00 0.03 H HETATM 1670 H24 F A 7 -14.255 16.953 -29.924 1.00 0.03 H HETATM 1671 C F A 7 -11.196 18.699 -29.801 1.00 0.20 C HETATM 1672 O F A 7 -10.489 17.955 -30.511 1.00 -0.39 O HETATM 1673 N F A 7 -10.742 19.766 -29.146 1.00 -0.26 N HETATM 1674 CA F A 7 -9.384 20.250 -29.271 1.00 0.17 C HETATM 1675 C F A 7 -8.645 20.367 -27.931 1.00 0.21 C HETATM 1676 O F A 7 -7.563 19.816 -27.705 1.00 -0.39 O HETATM 1677 N F A 7 -9.274 21.091 -27.008 1.00 -0.26 N HETATM 1678 CA F A 7 -8.667 21.398 -25.702 1.00 0.13 C HETATM 1679 C F A 7 -9.741 21.956 -24.779 1.00 0.21 C HETATM 1680 O F A 7 -10.701 22.543 -25.312 1.00 -0.39 O HETATM 1681 N F A 7 -9.620 21.863 -23.396 1.00 -0.25 N HETATM 1682 C1 F A 7 -8.502 21.180 -22.736 1.00 0.03 C HETATM 1683 H45 F A 7 -7.876 20.686 -23.493 1.00 0.05 H HETATM 1684 H46 F A 7 -8.894 20.427 -22.036 1.00 0.05 H HETATM 1685 H47 F A 7 -7.898 21.915 -22.184 1.00 0.05 H HETATM 1686 CA F A 7 -10.575 22.576 -22.656 1.00 0.13 C HETATM 1687 C F A 7 -12.015 22.236 -22.942 1.00 0.21 C HETATM 1688 O F A 7 -12.294 21.116 -23.336 1.00 -0.39 O HETATM 1689 N F A 7 -12.920 23.132 -22.965 1.00 -0.22 N HETATM 1690 CD F A 7 -12.713 24.546 -22.255 1.00 0.15 C HETATM 1691 CG F A 7 -11.339 24.629 -21.668 1.00 0.01 C HETATM 1692 CB F A 7 -10.221 24.088 -22.529 1.00 -0.01 C HETATM 1693 H49 F A 7 -10.210 24.576 -23.515 1.00 0.03 H HETATM 1694 H50 F A 7 -9.245 24.226 -22.041 1.00 0.03 H HETATM 1695 CE F A 7 -11.318 24.473 -20.176 1.00 -0.06 C HETATM 1696 H54 F A 7 -10.282 24.544 -19.814 1.00 0.02 H HETATM 1697 H55 F A 7 -11.735 23.492 -19.904 1.00 0.02 H HETATM 1698 H56 F A 7 -11.922 25.268 -19.716 1.00 0.02 H HETATM 1699 H51 F A 7 -11.134 25.706 -21.753 1.00 0.03 H HETATM 1700 OD F A 7 -12.530 25.470 -23.330 1.00 -0.37 O HETATM 1701 H53 F A 7 -12.400 26.342 -22.977 1.00 0.21 H HETATM 1702 H52 F A 7 -13.521 24.795 -21.551 1.00 0.09 H HETATM 1703 CA F A 7 -14.298 22.851 -23.396 1.00 0.14 C HETATM 1704 C F A 7 -14.530 23.342 -24.809 1.00 0.20 C HETATM 1705 O F A 7 -15.625 23.799 -25.142 1.00 -0.39 O HETATM 1706 N F A 7 -13.523 23.175 -25.662 1.00 -0.26 N HETATM 1707 CA F A 7 -13.652 23.385 -27.078 1.00 0.14 C HETATM 1708 C F A 7 -13.559 22.070 -27.856 1.00 0.23 C HETATM 1709 N F A 7 -14.843 21.582 -28.255 1.00 -0.10 N HETATM 1710 OXT F A 7 -14.420 21.663 -28.572 1.00 -0.21 O HETATM 1711 O F A 7 -12.618 21.341 -27.812 1.00 -0.39 O HETATM 1712 CB F A 7 -12.501 24.269 -27.576 1.00 0.00 C HETATM 1713 CG F A 7 -12.613 25.733 -27.140 1.00 -0.09 C HETATM 1714 CD F A 7 -11.814 26.273 -26.243 1.00 -0.10 C HETATM 1715 CE F A 7 -11.981 27.753 -25.878 1.00 -0.05 C HETATM 1716 H73 F A 7 -11.235 28.030 -25.119 1.00 0.04 H HETATM 1717 H74 F A 7 -12.991 27.920 -25.477 1.00 0.04 H HETATM 1718 H75 F A 7 -11.837 28.371 -26.777 1.00 0.04 H HETATM 1719 H72 F A 7 -11.041 25.673 -25.764 1.00 0.04 H HETATM 1720 H71 F A 7 -13.386 26.354 -27.591 1.00 0.05 H HETATM 1721 H69 F A 7 -12.488 24.235 -28.675 1.00 0.04 H HETATM 1722 H70 F A 7 -11.557 23.862 -27.185 1.00 0.04 H HETATM 1723 H68 F A 7 -14.618 23.870 -27.283 1.00 0.08 H HETATM 1724 H67 F A 7 -12.635 22.890 -25.301 1.00 0.19 H HETATM 1725 CB F A 7 -15.337 23.368 -22.393 1.00 -0.01 C HETATM 1726 CG F A 7 -15.268 22.700 -21.015 1.00 -0.04 C HETATM 1727 CD1 F A 7 -16.133 23.446 -20.013 1.00 -0.06 C HETATM 1728 H61 F A 7 -16.069 22.951 -19.033 1.00 0.02 H HETATM 1729 H62 F A 7 -17.178 23.444 -20.357 1.00 0.02 H HETATM 1730 H63 F A 7 -15.779 24.483 -19.923 1.00 0.02 H HETATM 1731 CD2 F A 7 -15.692 21.237 -21.077 1.00 -0.06 C HETATM 1732 H64 F A 7 -15.062 20.703 -21.804 1.00 0.02 H HETATM 1733 H65 F A 7 -16.745 21.173 -21.388 1.00 0.02 H HETATM 1734 H66 F A 7 -15.575 20.779 -20.084 1.00 0.02 H HETATM 1735 H60 F A 7 -14.224 22.740 -20.669 1.00 0.03 H HETATM 1736 H58 F A 7 -16.339 23.191 -22.812 1.00 0.03 H HETATM 1737 H59 F A 7 -15.180 24.449 -22.261 1.00 0.03 H HETATM 1738 H57 F A 7 -14.408 21.757 -23.420 1.00 0.08 H HETATM 1739 H48 F A 7 -10.438 22.199 -21.632 1.00 0.08 H HETATM 1740 CB F A 7 -7.531 22.458 -25.875 1.00 -0.02 C HETATM 1741 H42 F A 7 -7.085 22.680 -24.895 1.00 0.03 H HETATM 1742 H43 F A 7 -7.952 23.380 -26.304 1.00 0.03 H HETATM 1743 H44 F A 7 -6.758 22.060 -26.548 1.00 0.03 H HETATM 1744 H41 F A 7 -8.246 20.479 -25.267 1.00 0.08 H HETATM 1745 H40 F A 7 -10.190 21.438 -27.208 1.00 0.19 H HETATM 1746 CB F A 7 -9.361 21.653 -29.955 1.00 0.11 C HETATM 1747 CG F A 7 -10.110 21.725 -31.257 1.00 0.14 C HETATM 1748 CD1 F A 7 -11.353 22.340 -31.273 1.00 0.14 C HETATM 1749 CE1 F A 7 -12.112 22.429 -32.458 1.00 0.29 C HETATM 1750 CZ F A 7 -11.630 21.887 -33.654 1.00 0.34 C HETATM 1751 CE2 F A 7 -10.362 21.260 -33.639 1.00 0.15 C HETATM 1752 CD2 F A 7 -9.626 21.170 -32.463 1.00 0.11 C HETATM 1753 H37 F A 7 -8.666 20.666 -32.471 1.00 0.13 H HETATM 1754 H38 F A 7 -9.959 20.845 -34.556 1.00 0.14 H HETATM 1755 OH F A 7 -12.275 21.912 -34.860 1.00 -0.17 O HETATM 1756 H39 F A 7 -11.743 22.379 -35.493 1.00 0.36 H HETATM 1757 NN F A 7 -13.407 23.120 -32.329 1.00 -0.15 N HETATM 1758 O1 F A 7 -14.206 23.082 -33.222 1.00 -0.47 O HETATM 1759 O2 F A 7 -13.633 23.727 -31.307 1.00 -0.47 O HETATM 1760 H36 F A 7 -11.749 22.761 -30.356 1.00 0.13 H HETATM 1761 H34 F A 7 -8.312 21.925 -30.147 1.00 0.10 H HETATM 1762 H35 F A 7 -9.807 22.381 -29.261 1.00 0.10 H HETATM 1763 H33 F A 7 -8.834 19.538 -29.904 1.00 0.09 H HETATM 1764 H32 F A 7 -11.369 20.256 -28.540 1.00 0.19 H HETATM 1765 H22 F A 7 -13.016 18.692 -28.648 1.00 0.08 H HETATM 1766 CG F A 7 -16.685 18.401 -29.308 1.00 -0.04 C HETATM 1767 CD1 F A 7 -16.848 17.948 -30.609 1.00 0.02 C HETATM 1768 NE1 F A 7 -17.062 16.613 -30.633 1.00 -0.27 N HETATM 1769 CE2 F A 7 -17.053 16.155 -29.336 1.00 0.06 C HETATM 1770 CD2 F A 7 -16.813 17.228 -28.487 1.00 -0.02 C HETATM 1771 CE3 F A 7 -16.736 17.078 -27.099 1.00 -0.07 C HETATM 1772 CZ3 F A 7 -16.911 15.800 -26.556 1.00 -0.08 C HETATM 1773 CH2 F A 7 -17.152 14.718 -27.385 1.00 -0.08 C HETATM 1774 CZ2 F A 7 -17.219 14.875 -28.766 1.00 -0.04 C HETATM 1775 H12 F A 7 -17.398 14.016 -29.402 1.00 0.05 H HETATM 1776 H14 F A 7 -17.291 13.734 -26.952 1.00 0.05 H HETATM 1777 H13 F A 7 -16.858 15.657 -25.483 1.00 0.05 H HETATM 1778 H11 F A 7 -16.545 17.931 -26.459 1.00 0.05 H HETATM 1779 C1 F A 7 -17.317 15.824 -31.879 1.00 0.09 C HETATM 1780 C4 F A 7 -18.822 15.461 -31.919 1.00 0.08 C HETATM 1781 C5 F A 7 -19.728 16.698 -32.181 1.00 -0.04 C HETATM 1782 H3 F A 7 -20.782 16.383 -32.199 1.00 0.03 H HETATM 1783 H4 F A 7 -19.463 17.148 -33.149 1.00 0.03 H HETATM 1784 H5 F A 7 -19.580 17.437 -31.380 1.00 0.03 H HETATM 1785 O6 F A 7 -19.071 14.670 -32.991 1.00 -0.39 O HETATM 1786 H18 F A 7 -18.836 15.133 -33.786 1.00 0.21 H HETATM 1787 H6 F A 7 -19.104 14.963 -30.979 1.00 0.06 H HETATM 1788 C2 F A 7 -16.473 14.518 -31.954 1.00 -0.03 C HETATM 1789 H7 F A 7 -15.403 14.771 -31.926 1.00 0.03 H HETATM 1790 H8 F A 7 -16.700 13.988 -32.891 1.00 0.03 H HETATM 1791 H9 F A 7 -16.720 13.872 -31.098 1.00 0.03 H HETATM 1792 C3 F A 7 -16.980 16.651 -33.189 1.00 -0.03 C HETATM 1793 H15 F A 7 -17.553 17.590 -33.187 1.00 0.03 H HETATM 1794 H16 F A 7 -17.249 16.059 -34.076 1.00 0.03 H HETATM 1795 H17 F A 7 -15.904 16.878 -33.212 1.00 0.03 H HETATM 1796 H10 F A 7 -16.809 18.583 -31.493 1.00 0.08 H HETATM 1797 H1 F A 7 -16.960 20.550 -29.469 1.00 0.04 H HETATM 1798 H2 F A 7 -16.814 19.945 -27.784 1.00 0.04 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 1648 1649 1766 1797 1798 CONECT 1649 1648 1650 1709 1710 CONECT 1650 1649 1651 1652 CONECT 1651 1650 CONECT 1652 1650 1653 1657 CONECT 1653 1652 1654 1655 1656 CONECT 1654 1653 CONECT 1655 1653 CONECT 1656 1653 CONECT 1657 1652 1658 1671 1765 CONECT 1658 1657 1659 1669 1670 CONECT 1659 1658 1660 1664 1668 CONECT 1660 1659 1661 1662 1663 CONECT 1661 1660 CONECT 1662 1660 CONECT 1663 1660 CONECT 1664 1659 1665 1666 1667 CONECT 1665 1664 CONECT 1666 1664 CONECT 1667 1664 CONECT 1668 1659 CONECT 1669 1658 CONECT 1670 1658 CONECT 1671 1657 1672 1673 CONECT 1672 1671 CONECT 1673 1671 1674 1764 CONECT 1674 1673 1675 1746 1763 CONECT 1675 1674 1676 1677 CONECT 1676 1675 CONECT 1677 1675 1678 1745 CONECT 1678 1677 1679 1740 1744 CONECT 1679 1678 1680 1681 CONECT 1680 1679 CONECT 1681 1679 1682 1686 CONECT 1682 1681 1683 1684 1685 CONECT 1683 1682 CONECT 1684 1682 CONECT 1685 1682 CONECT 1686 1681 1687 1692 1739 CONECT 1687 1686 1688 1689 CONECT 1688 1687 CONECT 1689 1687 1690 1703 CONECT 1690 1689 1691 1700 1702 CONECT 1691 1690 1692 1695 1699 CONECT 1692 1686 1691 1693 1694 CONECT 1693 1692 CONECT 1694 1692 CONECT 1695 1691 1696 1697 1698 CONECT 1696 1695 CONECT 1697 1695 CONECT 1698 1695 CONECT 1699 1691 CONECT 1700 1690 1701 CONECT 1701 1700 CONECT 1702 1690 CONECT 1703 1689 1704 1725 1738 CONECT 1704 1703 1705 1706 CONECT 1705 1704 CONECT 1706 1704 1707 1724 CONECT 1707 1706 1708 1712 1723 CONECT 1708 1707 1709 1711 CONECT 1709 1649 1708 1710 CONECT 1710 1649 1709 CONECT 1711 1708 CONECT 1712 1707 1713 1721 1722 CONECT 1713 1712 1714 1720 CONECT 1714 1713 1715 1719 CONECT 1715 1714 1716 1717 1718 CONECT 1716 1715 CONECT 1717 1715 CONECT 1718 1715 CONECT 1719 1714 CONECT 1720 1713 CONECT 1721 1712 CONECT 1722 1712 CONECT 1723 1707 CONECT 1724 1706 CONECT 1725 1703 1726 1736 1737 CONECT 1726 1725 1727 1731 1735 CONECT 1727 1726 1728 1729 1730 CONECT 1728 1727 CONECT 1729 1727 CONECT 1730 1727 CONECT 1731 1726 1732 1733 1734 CONECT 1732 1731 CONECT 1733 1731 CONECT 1734 1731 CONECT 1735 1726 CONECT 1736 1725 CONECT 1737 1725 CONECT 1738 1703 CONECT 1739 1686 CONECT 1740 1678 1741 1742 1743 CONECT 1741 1740 CONECT 1742 1740 CONECT 1743 1740 CONECT 1744 1678 CONECT 1745 1677 CONECT 1746 1674 1747 1761 1762 CONECT 1747 1746 1748 1752 CONECT 1748 1747 1749 1760 CONECT 1749 1748 1750 1757 CONECT 1750 1749 1751 1755 CONECT 1751 1750 1752 1754 CONECT 1752 1747 1751 1753 CONECT 1753 1752 CONECT 1754 1751 CONECT 1755 1750 1756 CONECT 1756 1755 CONECT 1757 1749 1758 1759 CONECT 1758 1757 CONECT 1759 1757 CONECT 1760 1748 CONECT 1761 1746 CONECT 1762 1746 CONECT 1763 1674 CONECT 1764 1673 CONECT 1765 1657 CONECT 1766 1648 1767 1770 CONECT 1767 1766 1768 1796 CONECT 1768 1767 1769 1779 CONECT 1769 1768 1770 1774 CONECT 1770 1766 1769 1771 CONECT 1771 1770 1772 1778 CONECT 1772 1771 1773 1777 CONECT 1773 1772 1774 1776 CONECT 1774 1769 1773 1775 CONECT 1775 1774 CONECT 1776 1773 CONECT 1777 1772 CONECT 1778 1771 CONECT 1779 1768 1780 1788 1792 CONECT 1780 1779 1781 1785 1787 CONECT 1781 1780 1782 1783 1784 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1781 CONECT 1785 1780 1786 CONECT 1786 1785 CONECT 1787 1780 CONECT 1788 1779 1789 1790 1791 CONECT 1789 1788 CONECT 1790 1788 CONECT 1791 1788 CONECT 1792 1779 1793 1794 1795 CONECT 1793 1792 CONECT 1794 1792 CONECT 1795 1792 CONECT 1796 1767 CONECT 1797 1648 CONECT 1798 1648 MASTER 0 0 0 0 0 0 0 0 1797 1 155 12 END
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153aa, >3WDC_1|Chain... at 100%
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1bm2
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1bzh
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1fkn
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7-mer
1joj
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1n7t
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1nlt
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1oh4
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1okw
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PDBbind
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1pip
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1py1
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1q5l
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1slg
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1tze
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2er6
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2nmb
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2pv1
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2q3z
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3nzi
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4aif
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4dvf
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4ezw
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4ezx
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4ezy
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Entry Information
PDB ID
6cn8
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
ATP-dependent Clp protease ATP-binding subunit ClpC1
Ligand Name
7-mer
EC.Number
E.C.-.-.-.-
Resolution
1.4(Å)
Affinity (Kd/Ki/IC50)
Kd=63.4nM
Release Year
2019
Protein/NA Sequence
Check fasta file
Primary Reference
(2019) Acs Infect Dis. Vol. 5: pp. 829-840
Ligand Properties
Formula
C
5
4
H
7
5
N
9
O
1
3
Molecular Weight
1058.230
Exact Mass
1057.550
No. of atoms
151
No. of bonds
156
Polar Surface Area
292.28
LOGP Value
5.90 (
Computed with XLOGP3
)
4.64 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 6
No. of Hydrogen Bond Acceptors: 12
No. of Rotatable Bonds: 15
No. of Nitrogen and Oxygen Atoms: 22
No. of Rings: 6
Canonical SMILES
C/C=C/C[C@@H]1NC(=O)[C@H](CC(C)C)N2[C@H](O)[C@@H](C)C[C@@H](C2=O)N(C)C(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@]2(N(C1=O)O2)Cc1cn(c2c1cccc2)C([C@H](O)C)(C)C)C)CC(C)C)Cc1ccc(c(c1)N(=O)=O)O
InChI String
InChI=1S/C54H75N9O13/c1-13-14-18-37-50(71)62-54(76-62,27-35-28-60(53(9,10)33(8)64)39-19-16-15-17-36(35)39)52(73)59(12)41(22-29(2)3)46(67)57-38(25-34-20-21-44(65)40(26-34)63(74)75)45(66)55-32(7)49(70)58(11)43-24-31(6)48(69)61(51(43)72)42(23-30(4)5)47(68)56-37/h13-17,19-21,26,28-33,37-38,41-43,48,64-65,69H,18,22-25,27H2,1-12H3,(H,55,66)(H,56,68)(H,57,67)/b14-13+/t31-,32-,33+,37-,38-,41-,42-,43-,48+,54?,62+/m0/s1
Links to External Databases
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UniProtKB AC
UniProt accession number (AC):
P9WPC9
Entrez Gene ID
NCBI Entrez Gene ID:
45427583
885104
ASD
Information of known allosteric effects of PDB entries
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