Browse entries in the PDBbind-CN Database
HEADER 5H5Q_COMPLEX COMPND 5H5Q_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 40 ASP ASP TRP ARG ALA ALA ARG SER MET HIS GLU PHE SER SEQRES 2 A 40 ALA LYS ASP ILE ASP GLY HIS MET VAL ASN LEU ASP LYS SEQRES 3 A 40 TYR ARG GLY PHE VAL SER ILE VAL THR ASN VAL ALA SER SEQRES 4 A 40 GLN SEQRES 1 A 124 GLY LYS THR GLU VAL ASN TYR THR GLN LEU VAL ASP LEU SEQRES 2 A 124 HIS ALA ARG TYR ALA GLU ARG GLY LEU ARG ILE LEU ALA SEQRES 3 A 124 PHE PRO SER ASN GLN PHE GLY LYS GLN GLU PRO GLY SER SEQRES 4 A 124 ASN GLU GLU ILE LYS GLU PHE ALA ALA GLY TYR ASN VAL SEQRES 5 A 124 LYS PHE ASP MET PHE SER LYS ILE GLU VAL ASN GLY ASP SEQRES 6 A 124 ASP ALA HIS PRO LEU TRP LYS TRP MET LYS ILE GLN PRO SEQRES 7 A 124 LYS GLY LYS GLY ILE LEU GLY ASN ALA ILE LYS TRP ASN SEQRES 8 A 124 PHE THR LYS PHE LEU ILE ASP LYS ASN GLY VAL VAL VAL SEQRES 9 A 124 LYS ARG TYR GLY PRO MET GLU GLU PRO LEU VAL ILE GLU SEQRES 10 A 124 LYS ASP LEU PRO HIS TYR PHE HET ACE A 305 244 ATOM 1 N ASP A 33 -0.774 35.198 -32.384 1.00 20.55 N ATOM 2 CA ASP A 33 -1.428 34.919 -31.077 1.00 19.54 C ATOM 3 C ASP A 33 -1.115 33.475 -30.656 1.00 17.27 C ATOM 4 O ASP A 33 -1.293 32.553 -31.438 1.00 16.46 O ATOM 5 CB ASP A 33 -2.957 35.157 -31.176 1.00 21.01 C ATOM 6 CG ASP A 33 -3.613 35.464 -29.816 1.00 21.81 C ATOM 7 OD1 ASP A 33 -2.880 35.665 -28.833 1.00 24.09 O ATOM 8 OD2 ASP A 33 -4.864 35.515 -29.715 1.00 22.77 O ATOM 9 HN3 ASP A 33 -1.138 34.538 -33.100 1.00 0.00 H ATOM 10 HN2 ASP A 33 0.254 35.076 -32.289 1.00 0.00 H ATOM 11 HN1 ASP A 33 -0.983 36.175 -32.673 1.00 0.00 H ATOM 12 N ASP A 34 -0.632 33.301 -29.431 1.00 15.75 N ATOM 13 CA ASP A 34 -0.319 31.972 -28.914 1.00 14.83 C ATOM 14 C ASP A 34 -0.715 31.858 -27.442 1.00 12.93 C ATOM 15 O ASP A 34 -1.387 32.740 -26.882 1.00 12.75 O ATOM 16 CB ASP A 34 1.161 31.617 -29.216 1.00 15.87 C ATOM 17 CG ASP A 34 2.179 32.283 -28.307 1.00 16.68 C ATOM 18 OD1 ASP A 34 1.854 32.958 -27.309 1.00 17.40 O ATOM 19 OD2 ASP A 34 3.379 32.132 -28.644 1.00 19.49 O ATOM 20 H ASP A 34 -0.473 34.131 -28.826 1.00 0.00 H ATOM 21 N TRP A 35 -0.299 30.749 -26.843 1.00 11.72 N ATOM 22 CA TRP A 35 -0.695 30.379 -25.503 1.00 10.87 C ATOM 23 C TRP A 35 -0.403 31.439 -24.441 1.00 10.96 C ATOM 24 O TRP A 35 -1.094 31.471 -23.424 1.00 10.77 O ATOM 25 CB TRP A 35 -0.029 29.046 -25.131 1.00 10.25 C ATOM 26 CG TRP A 35 1.453 29.099 -25.147 1.00 10.23 C ATOM 27 CD1 TRP A 35 2.268 28.793 -26.197 1.00 10.42 C ATOM 28 CD2 TRP A 35 2.312 29.510 -24.082 1.00 10.02 C ATOM 29 NE1 TRP A 35 3.572 28.993 -25.860 1.00 10.53 N ATOM 30 CE2 TRP A 35 3.633 29.438 -24.569 1.00 10.44 C ATOM 31 CE3 TRP A 35 2.102 29.926 -22.759 1.00 10.17 C ATOM 32 CZ2 TRP A 35 4.729 29.757 -23.785 1.00 10.75 C ATOM 33 CZ3 TRP A 35 3.202 30.273 -22.000 1.00 10.39 C ATOM 34 CH2 TRP A 35 4.494 30.179 -22.510 1.00 10.62 C ATOM 35 HE1 TRP A 35 4.389 28.833 -26.484 1.00 0.00 H ATOM 36 H TRP A 35 0.342 30.116 -27.362 1.00 0.00 H ATOM 37 N ARG A 36 0.586 32.300 -24.674 1.00 11.93 N ATOM 38 CA ARG A 36 0.902 33.355 -23.707 1.00 12.84 C ATOM 39 C ARG A 36 -0.238 34.326 -23.509 1.00 13.36 C ATOM 40 O ARG A 36 -0.331 34.965 -22.450 1.00 15.50 O ATOM 41 CB ARG A 36 2.172 34.120 -24.112 1.00 13.83 C ATOM 42 CG ARG A 36 3.440 33.283 -24.046 1.00 14.37 C ATOM 43 CD ARG A 36 4.668 34.096 -24.439 1.00 15.64 C ATOM 44 NE ARG A 36 5.862 33.265 -24.383 1.00 16.76 N ATOM 45 CZ ARG A 36 6.559 32.960 -23.283 1.00 17.31 C ATOM 46 NH1 ARG A 36 6.242 33.449 -22.080 1.00 17.94 N ATOM 47 NH2 ARG A 36 7.615 32.153 -23.401 1.00 18.32 N ATOM 48 HE ARG A 36 6.205 32.872 -25.283 1.00 0.00 H ATOM 49 HH12 ARG A 36 6.808 33.189 -21.247 1.00 0.00 H ATOM 50 HH11 ARG A 36 5.429 34.090 -21.977 1.00 0.00 H ATOM 51 HH22 ARG A 36 8.173 31.901 -22.561 1.00 0.00 H ATOM 52 HH21 ARG A 36 7.880 31.776 -24.333 1.00 0.00 H ATOM 53 H ARG A 36 1.140 32.223 -25.551 1.00 0.00 H ATOM 54 N ALA A 37 -1.093 34.458 -24.526 1.00 12.87 N ATOM 55 CA ALA A 37 -2.248 35.345 -24.487 1.00 12.96 C ATOM 56 C ALA A 37 -3.489 34.699 -23.886 1.00 12.27 C ATOM 57 O ALA A 37 -4.495 35.384 -23.699 1.00 13.06 O ATOM 58 CB ALA A 37 -2.568 35.852 -25.876 1.00 13.57 C ATOM 59 H ALA A 37 -0.926 33.900 -25.388 1.00 0.00 H ATOM 60 N ALA A 38 -3.455 33.413 -23.555 1.00 11.28 N ATOM 61 CA ALA A 38 -4.657 32.773 -23.054 1.00 10.88 C ATOM 62 C ALA A 38 -5.044 33.329 -21.694 1.00 11.03 C ATOM 63 O ALA A 38 -4.184 33.711 -20.895 1.00 11.31 O ATOM 64 CB ALA A 38 -4.458 31.269 -22.975 1.00 10.27 C ATOM 65 H ALA A 38 -2.574 32.869 -23.654 1.00 0.00 H ATOM 66 N ARG A 39 -6.338 33.367 -21.442 1.00 11.37 N ATOM 67 CA ARG A 39 -6.876 33.921 -20.203 1.00 12.31 C ATOM 68 C ARG A 39 -7.407 32.854 -19.254 1.00 11.32 C ATOM 69 O ARG A 39 -7.788 33.182 -18.121 1.00 12.27 O ATOM 70 CB ARG A 39 -8.035 34.857 -20.530 1.00 14.74 C ATOM 71 CG ARG A 39 -7.745 35.897 -21.565 1.00 17.41 C ATOM 72 CD ARG A 39 -6.790 36.938 -21.063 1.00 19.80 C ATOM 73 NE ARG A 39 -7.427 38.218 -21.327 1.00 22.42 N ATOM 74 CZ ARG A 39 -6.836 39.369 -21.641 1.00 24.34 C ATOM 75 NH1 ARG A 39 -5.508 39.489 -21.751 1.00 25.45 N ATOM 76 NH2 ARG A 39 -7.610 40.427 -21.854 1.00 25.49 N ATOM 77 HE ARG A 39 -8.465 38.237 -21.263 1.00 0.00 H ATOM 78 HH12 ARG A 39 -5.088 40.407 -21.998 1.00 0.00 H ATOM 79 HH11 ARG A 39 -4.896 38.664 -21.589 1.00 0.00 H ATOM 80 HH22 ARG A 39 -7.183 41.342 -22.101 1.00 0.00 H ATOM 81 HH21 ARG A 39 -8.643 40.340 -21.774 1.00 0.00 H ATOM 82 H ARG A 39 -6.998 32.989 -22.151 1.00 0.00 H ATOM 83 N SER A 40 -7.477 31.596 -19.686 1.00 10.18 N ATOM 84 CA SER A 40 -8.146 30.566 -18.916 1.00 9.71 C ATOM 85 C SER A 40 -7.685 29.201 -19.364 1.00 9.05 C ATOM 86 O SER A 40 -7.420 28.990 -20.554 1.00 8.85 O ATOM 87 CB SER A 40 -9.671 30.649 -19.181 1.00 9.99 C ATOM 88 OG SER A 40 -10.394 29.645 -18.527 1.00 10.28 O ATOM 89 HG SER A 40 -10.253 29.721 -17.550 1.00 0.00 H ATOM 90 H SER A 40 -7.042 31.347 -20.597 1.00 0.00 H ATOM 91 N MET A 41 -7.665 28.262 -18.425 1.00 8.87 N ATOM 92 CA MET A 41 -7.467 26.859 -18.754 1.00 8.54 C ATOM 93 C MET A 41 -8.489 26.377 -19.789 1.00 8.86 C ATOM 94 O MET A 41 -8.215 25.468 -20.579 1.00 9.03 O ATOM 95 CB MET A 41 -7.535 26.045 -17.464 1.00 8.31 C ATOM 96 CG MET A 41 -7.427 24.536 -17.619 1.00 8.05 C ATOM 97 SD MET A 41 -9.009 23.676 -17.743 1.00 7.71 S ATOM 98 CE MET A 41 -9.315 23.332 -16.028 1.00 8.06 C ATOM 99 H MET A 41 -7.794 28.536 -17.430 1.00 0.00 H ATOM 100 N HIS A 42 -9.656 27.003 -19.796 1.00 8.89 N ATOM 101 CA HIS A 42 -10.741 26.572 -20.652 1.00 9.23 C ATOM 102 C HIS A 42 -10.471 26.774 -22.125 1.00 9.09 C ATOM 103 O HIS A 42 -11.217 26.220 -22.940 1.00 10.05 O ATOM 104 CB HIS A 42 -12.015 27.313 -20.289 1.00 9.72 C ATOM 105 CG HIS A 42 -12.411 27.154 -18.864 1.00 10.25 C ATOM 106 ND1 HIS A 42 -13.193 28.078 -18.214 1.00 11.02 N ATOM 107 CD2 HIS A 42 -12.111 26.206 -17.962 1.00 10.35 C ATOM 108 CE1 HIS A 42 -13.368 27.695 -16.971 1.00 11.31 C ATOM 109 NE2 HIS A 42 -12.715 26.574 -16.779 1.00 11.16 N ATOM 110 H HIS A 42 -9.796 27.823 -19.172 1.00 0.00 H ATOM 111 N GLU A 43 -9.467 27.572 -22.485 1.00 8.82 N ATOM 112 CA GLU A 43 -9.141 27.790 -23.893 1.00 8.81 C ATOM 113 C GLU A 43 -8.429 26.599 -24.523 1.00 8.72 C ATOM 114 O GLU A 43 -8.344 26.516 -25.743 1.00 9.07 O ATOM 115 CB GLU A 43 -8.214 28.993 -24.054 1.00 9.01 C ATOM 116 CG GLU A 43 -8.822 30.290 -23.600 1.00 9.27 C ATOM 117 CD GLU A 43 -8.019 31.492 -24.023 1.00 9.57 C ATOM 118 OE1 GLU A 43 -7.190 31.394 -24.948 1.00 10.00 O ATOM 119 OE2 GLU A 43 -8.230 32.579 -23.412 1.00 10.26 O ATOM 120 H GLU A 43 -8.905 28.048 -21.751 1.00 0.00 H ATOM 121 N PHE A 44 -7.856 25.721 -23.702 1.00 8.30 N ATOM 122 CA PHE A 44 -6.930 24.727 -24.187 1.00 8.48 C ATOM 123 C PHE A 44 -7.631 23.450 -24.596 1.00 8.74 C ATOM 124 O PHE A 44 -8.809 23.208 -24.304 1.00 9.08 O ATOM 125 CB PHE A 44 -5.835 24.482 -23.128 1.00 8.27 C ATOM 126 CG PHE A 44 -4.936 25.666 -22.919 1.00 8.22 C ATOM 127 CD1 PHE A 44 -5.278 26.668 -22.031 1.00 8.32 C ATOM 128 CD2 PHE A 44 -3.742 25.783 -23.602 1.00 8.17 C ATOM 129 CE1 PHE A 44 -4.470 27.761 -21.846 1.00 8.46 C ATOM 130 CE2 PHE A 44 -2.923 26.880 -23.413 1.00 8.18 C ATOM 131 CZ PHE A 44 -3.289 27.882 -22.528 1.00 8.27 C ATOM 132 H PHE A 44 -8.081 25.753 -22.687 1.00 0.00 H ATOM 133 N SER A 45 -6.863 22.635 -25.310 1.00 9.64 N ATOM 134 CA SER A 45 -7.307 21.310 -25.734 1.00 10.18 C ATOM 135 C SER A 45 -6.224 20.303 -25.446 1.00 9.88 C ATOM 136 O SER A 45 -5.026 20.629 -25.407 1.00 10.24 O ATOM 137 CB SER A 45 -7.601 21.270 -27.219 1.00 11.29 C ATOM 138 OG SER A 45 -6.501 21.799 -27.918 1.00 11.86 O ATOM 139 HG SER A 45 -6.349 22.735 -27.632 1.00 0.00 H ATOM 140 H SER A 45 -5.909 22.952 -25.577 1.00 0.00 H ATOM 141 N ALA A 46 -6.629 19.069 -25.221 1.00 9.60 N ATOM 142 CA ALA A 46 -5.667 18.003 -24.944 1.00 9.38 C ATOM 143 C ALA A 46 -6.247 16.681 -25.343 1.00 9.70 C ATOM 144 O ALA A 46 -7.464 16.482 -25.255 1.00 10.41 O ATOM 145 CB ALA A 46 -5.297 17.979 -23.464 1.00 9.44 C ATOM 146 H ALA A 46 -7.646 18.851 -25.241 1.00 0.00 H ATOM 147 N LYS A 47 -5.389 15.756 -25.745 1.00 9.91 N ATOM 148 CA LYS A 47 -5.847 14.402 -26.026 1.00 10.59 C ATOM 149 C LYS A 47 -6.069 13.652 -24.736 1.00 9.97 C ATOM 150 O LYS A 47 -5.194 13.626 -23.841 1.00 9.27 O ATOM 151 CB LYS A 47 -4.850 13.635 -26.886 1.00 12.22 C ATOM 152 CG LYS A 47 -4.659 14.269 -28.254 1.00 14.11 C ATOM 153 CD LYS A 47 -3.723 13.460 -29.139 1.00 16.20 C ATOM 154 CE LYS A 47 -2.275 13.563 -28.694 1.00 17.61 C ATOM 155 NZ LYS A 47 -1.395 13.994 -29.814 1.00 19.48 N ATOM 156 HZ1 LYS A 47 -1.456 13.301 -30.587 1.00 0.00 H ATOM 157 HZ2 LYS A 47 -1.704 14.926 -30.157 1.00 0.00 H ATOM 158 HZ3 LYS A 47 -0.413 14.055 -29.478 1.00 0.00 H ATOM 159 H LYS A 47 -4.384 15.997 -25.861 1.00 0.00 H ATOM 160 N ASP A 48 -7.220 13.014 -24.624 1.00 10.13 N ATOM 161 CA ASP A 48 -7.472 12.143 -23.492 1.00 10.25 C ATOM 162 C ASP A 48 -6.635 10.884 -23.633 1.00 10.12 C ATOM 163 O ASP A 48 -5.973 10.671 -24.661 1.00 9.96 O ATOM 164 CB ASP A 48 -8.976 11.896 -23.270 1.00 11.38 C ATOM 165 CG ASP A 48 -9.619 10.949 -24.261 1.00 12.72 C ATOM 166 OD1 ASP A 48 -8.949 10.228 -25.008 1.00 13.21 O ATOM 167 OD2 ASP A 48 -10.876 10.958 -24.308 1.00 15.11 O ATOM 168 H ASP A 48 -7.951 13.137 -25.353 1.00 0.00 H ATOM 169 N ILE A 49 -6.651 10.040 -22.617 1.00 9.85 N ATOM 170 CA ILE A 49 -5.747 8.891 -22.613 1.00 10.45 C ATOM 171 C ILE A 49 -6.073 7.861 -23.695 1.00 11.56 C ATOM 172 O ILE A 49 -5.238 7.035 -24.007 1.00 12.28 O ATOM 173 CB ILE A 49 -5.646 8.273 -21.206 1.00 10.20 C ATOM 174 CG1 ILE A 49 -4.340 7.488 -21.031 1.00 10.49 C ATOM 175 CG2 ILE A 49 -6.891 7.485 -20.852 1.00 10.53 C ATOM 176 CD1 ILE A 49 -3.872 7.410 -19.601 1.00 10.47 C ATOM 177 H ILE A 49 -7.305 10.192 -21.822 1.00 0.00 H ATOM 178 N ASP A 50 -7.280 7.924 -24.254 1.00 12.56 N ATOM 179 CA ASP A 50 -7.666 7.114 -25.415 1.00 14.70 C ATOM 180 C ASP A 50 -7.317 7.760 -26.769 1.00 14.97 C ATOM 181 O ASP A 50 -7.600 7.162 -27.825 1.00 16.07 O ATOM 182 CB ASP A 50 -9.166 6.831 -25.352 1.00 16.68 C ATOM 183 CG ASP A 50 -9.560 6.097 -24.102 1.00 18.29 C ATOM 184 OD1 ASP A 50 -8.933 5.064 -23.828 1.00 20.13 O ATOM 185 OD2 ASP A 50 -10.481 6.555 -23.381 1.00 21.54 O ATOM 186 H ASP A 50 -7.981 8.577 -23.849 1.00 0.00 H ATOM 187 N GLY A 51 -6.711 8.940 -26.768 1.00 14.84 N ATOM 188 CA GLY A 51 -6.288 9.593 -28.011 1.00 15.58 C ATOM 189 C GLY A 51 -7.273 10.591 -28.565 1.00 16.19 C ATOM 190 O GLY A 51 -7.042 11.153 -29.640 1.00 17.80 O ATOM 191 H GLY A 51 -6.531 9.415 -25.861 1.00 0.00 H ATOM 192 N HIS A 52 -8.367 10.830 -27.849 1.00 15.96 N ATOM 193 CA HIS A 52 -9.473 11.632 -28.382 1.00 16.38 C ATOM 194 C HIS A 52 -9.305 13.064 -27.906 1.00 14.96 C ATOM 195 O HIS A 52 -9.007 13.291 -26.733 1.00 13.53 O ATOM 196 CB HIS A 52 -10.823 11.127 -27.880 1.00 18.19 C ATOM 197 CG HIS A 52 -11.139 9.719 -28.274 1.00 20.68 C ATOM 198 ND1 HIS A 52 -11.564 8.773 -27.367 1.00 22.05 N ATOM 199 CD2 HIS A 52 -11.096 9.100 -29.474 1.00 22.45 C ATOM 200 CE1 HIS A 52 -11.772 7.629 -27.993 1.00 22.97 C ATOM 201 NE2 HIS A 52 -11.492 7.799 -29.272 1.00 23.30 N ATOM 202 H HIS A 52 -8.440 10.439 -26.888 1.00 0.00 H ATOM 203 N MET A 53 -9.505 14.033 -28.790 1.00 14.81 N ATOM 204 CA MET A 53 -9.329 15.436 -28.424 1.00 14.99 C ATOM 205 C MET A 53 -10.430 15.896 -27.473 1.00 14.02 C ATOM 206 O MET A 53 -11.619 15.610 -27.676 1.00 15.67 O ATOM 207 CB MET A 53 -9.319 16.310 -29.672 1.00 17.03 C ATOM 208 CG MET A 53 -8.800 17.711 -29.428 1.00 18.59 C ATOM 209 SD MET A 53 -7.062 17.771 -28.943 1.00 21.71 S ATOM 210 CE MET A 53 -6.292 17.327 -30.503 1.00 22.02 C ATOM 211 H MET A 53 -9.792 13.790 -29.760 1.00 0.00 H ATOM 212 N VAL A 54 -10.015 16.586 -26.416 1.00 12.47 N ATOM 213 CA VAL A 54 -10.907 17.149 -25.412 1.00 12.13 C ATOM 214 C VAL A 54 -10.711 18.650 -25.423 1.00 11.16 C ATOM 215 O VAL A 54 -9.597 19.150 -25.323 1.00 11.11 O ATOM 216 CB VAL A 54 -10.625 16.630 -23.979 1.00 12.55 C ATOM 217 CG1 VAL A 54 -11.617 17.217 -22.975 1.00 12.62 C ATOM 218 CG2 VAL A 54 -10.718 15.119 -23.933 1.00 13.44 C ATOM 219 H VAL A 54 -8.992 16.733 -26.299 1.00 0.00 H ATOM 220 N ASN A 55 -11.812 19.375 -25.536 1.00 11.31 N ATOM 221 CA ASN A 55 -11.857 20.811 -25.326 1.00 11.28 C ATOM 222 C ASN A 55 -12.010 21.054 -23.836 1.00 10.57 C ATOM 223 O ASN A 55 -13.007 20.637 -23.241 1.00 10.88 O ATOM 224 CB ASN A 55 -13.064 21.344 -26.126 1.00 12.55 C ATOM 225 CG ASN A 55 -13.247 22.827 -26.032 1.00 13.70 C ATOM 226 OD1 ASN A 55 -12.804 23.451 -25.081 1.00 14.38 O ATOM 227 ND2 ASN A 55 -13.914 23.407 -27.018 1.00 15.26 N ATOM 228 HD22 ASN A 55 -14.274 22.836 -27.809 1.00 0.00 H ATOM 229 HD21 ASN A 55 -14.078 24.434 -27.001 1.00 0.00 H ATOM 230 H ASN A 55 -12.696 18.889 -25.790 1.00 0.00 H ATOM 231 N LEU A 56 -11.024 21.720 -23.221 1.00 9.80 N ATOM 232 CA LEU A 56 -11.054 21.931 -21.771 1.00 9.63 C ATOM 233 C LEU A 56 -12.082 22.929 -21.306 1.00 9.64 C ATOM 234 O LEU A 56 -12.259 23.105 -20.106 1.00 9.12 O ATOM 235 CB LEU A 56 -9.656 22.234 -21.242 1.00 9.58 C ATOM 236 CG LEU A 56 -8.586 21.188 -21.581 1.00 10.12 C ATOM 237 CD1 LEU A 56 -7.279 21.542 -20.893 1.00 10.06 C ATOM 238 CD2 LEU A 56 -8.968 19.752 -21.272 1.00 10.47 C ATOM 239 H LEU A 56 -10.228 22.091 -23.778 1.00 0.00 H ATOM 240 N ASP A 57 -12.834 23.529 -22.232 1.00 10.14 N ATOM 241 CA ASP A 57 -13.978 24.331 -21.820 1.00 10.64 C ATOM 242 C ASP A 57 -15.077 23.477 -21.184 1.00 10.67 C ATOM 243 O ASP A 57 -16.009 24.023 -20.589 1.00 10.84 O ATOM 244 CB ASP A 57 -14.478 25.259 -22.932 1.00 11.47 C ATOM 245 CG ASP A 57 -15.229 24.545 -24.045 1.00 12.07 C ATOM 246 OD1 ASP A 57 -15.437 23.318 -24.007 1.00 13.02 O ATOM 247 OD2 ASP A 57 -15.624 25.243 -25.006 1.00 13.03 O ATOM 248 H ASP A 57 -12.604 23.424 -23.241 1.00 0.00 H ATOM 249 N LYS A 58 -14.967 22.151 -21.270 1.00 10.56 N ATOM 250 CA LYS A 58 -15.856 21.297 -20.474 1.00 11.34 C ATOM 251 C LYS A 58 -15.759 21.561 -18.973 1.00 10.43 C ATOM 252 O LYS A 58 -16.670 21.211 -18.214 1.00 10.96 O ATOM 253 CB LYS A 58 -15.621 19.839 -20.781 1.00 12.48 C ATOM 254 CG LYS A 58 -14.326 19.306 -20.250 1.00 13.13 C ATOM 255 CD LYS A 58 -14.098 17.867 -20.665 1.00 14.59 C ATOM 256 CE LYS A 58 -14.893 16.893 -19.831 1.00 15.88 C ATOM 257 NZ LYS A 58 -14.608 15.483 -20.245 1.00 17.02 N ATOM 258 HZ1 LYS A 58 -14.866 15.358 -21.245 1.00 0.00 H ATOM 259 HZ2 LYS A 58 -13.595 15.284 -20.119 1.00 0.00 H ATOM 260 HZ3 LYS A 58 -15.166 14.831 -19.658 1.00 0.00 H ATOM 261 H LYS A 58 -14.256 21.725 -21.897 1.00 0.00 H ATOM 262 N TYR A 59 -14.646 22.147 -18.529 1.00 9.63 N ATOM 263 CA TYR A 59 -14.456 22.434 -17.113 1.00 9.31 C ATOM 264 C TYR A 59 -14.950 23.806 -16.704 1.00 9.36 C ATOM 265 O TYR A 59 -14.763 24.201 -15.561 1.00 9.36 O ATOM 266 CB TYR A 59 -12.977 22.232 -16.760 1.00 8.97 C ATOM 267 CG TYR A 59 -12.557 20.806 -17.011 1.00 9.06 C ATOM 268 CD1 TYR A 59 -13.023 19.783 -16.204 1.00 9.57 C ATOM 269 CD2 TYR A 59 -11.743 20.466 -18.079 1.00 9.23 C ATOM 270 CE1 TYR A 59 -12.671 18.464 -16.443 1.00 9.79 C ATOM 271 CE2 TYR A 59 -11.379 19.152 -18.326 1.00 9.63 C ATOM 272 CZ TYR A 59 -11.842 18.164 -17.516 1.00 9.57 C ATOM 273 OH TYR A 59 -11.454 16.872 -17.786 1.00 10.43 O ATOM 274 HH TYR A 59 -11.862 16.261 -17.123 1.00 0.00 H ATOM 275 H TYR A 59 -13.900 22.404 -19.206 1.00 0.00 H ATOM 276 N ARG A 60 -15.614 24.535 -17.599 1.00 10.24 N ATOM 277 CA ARG A 60 -16.242 25.803 -17.227 1.00 11.30 C ATOM 278 C ARG A 60 -17.251 25.582 -16.110 1.00 10.63 C ATOM 279 O ARG A 60 -18.190 24.785 -16.240 1.00 10.77 O ATOM 280 CB ARG A 60 -16.950 26.430 -18.412 1.00 13.51 C ATOM 281 CG ARG A 60 -17.298 27.899 -18.210 1.00 16.37 C ATOM 282 CD ARG A 60 -17.627 28.545 -19.553 1.00 18.68 C ATOM 283 NE ARG A 60 -18.657 27.752 -20.228 1.00 21.46 N ATOM 284 CZ ARG A 60 -18.865 27.631 -21.544 1.00 23.50 C ATOM 285 NH1 ARG A 60 -18.109 28.256 -22.450 1.00 24.96 N ATOM 286 NH2 ARG A 60 -19.849 26.834 -21.958 1.00 24.95 N ATOM 287 HE ARG A 60 -19.303 27.220 -19.611 1.00 0.00 H ATOM 288 HH12 ARG A 60 -18.305 28.134 -23.464 1.00 0.00 H ATOM 289 HH11 ARG A 60 -17.324 28.864 -22.142 1.00 0.00 H ATOM 290 HH22 ARG A 60 -20.033 26.721 -22.975 1.00 0.00 H ATOM 291 HH21 ARG A 60 -20.433 26.325 -21.264 1.00 0.00 H ATOM 292 H ARG A 60 -15.687 24.197 -18.580 1.00 0.00 H ATOM 293 N GLY A 61 -17.062 26.285 -14.999 1.00 10.02 N ATOM 294 CA GLY A 61 -17.918 26.141 -13.848 1.00 10.31 C ATOM 295 C GLY A 61 -17.432 25.152 -12.806 1.00 10.05 C ATOM 296 O GLY A 61 -18.092 24.989 -11.779 1.00 10.76 O ATOM 297 H GLY A 61 -16.272 26.960 -14.958 1.00 0.00 H ATOM 298 N PHE A 62 -16.289 24.500 -13.041 1.00 9.26 N ATOM 299 CA PHE A 62 -15.801 23.417 -12.165 1.00 9.34 C ATOM 300 C PHE A 62 -14.435 23.740 -11.615 1.00 9.32 C ATOM 301 O PHE A 62 -13.491 23.947 -12.384 1.00 10.53 O ATOM 302 CB PHE A 62 -15.715 22.088 -12.929 1.00 9.10 C ATOM 303 CG PHE A 62 -17.063 21.626 -13.362 1.00 9.49 C ATOM 304 CD1 PHE A 62 -17.874 20.975 -12.450 1.00 10.11 C ATOM 305 CD2 PHE A 62 -17.583 21.933 -14.610 1.00 9.85 C ATOM 306 CE1 PHE A 62 -19.169 20.622 -12.769 1.00 10.63 C ATOM 307 CE2 PHE A 62 -18.876 21.572 -14.935 1.00 10.65 C ATOM 308 CZ PHE A 62 -19.662 20.910 -14.006 1.00 10.84 C ATOM 309 H PHE A 62 -15.723 24.766 -13.872 1.00 0.00 H ATOM 310 N VAL A 63 -14.320 23.722 -10.301 1.00 9.36 N ATOM 311 CA VAL A 63 -13.011 23.820 -9.677 1.00 9.25 C ATOM 312 C VAL A 63 -12.214 22.591 -10.062 1.00 8.89 C ATOM 313 O VAL A 63 -12.707 21.459 -9.942 1.00 9.17 O ATOM 314 CB VAL A 63 -13.133 23.939 -8.153 1.00 9.94 C ATOM 315 CG1 VAL A 63 -11.776 23.942 -7.479 1.00 10.14 C ATOM 316 CG2 VAL A 63 -13.902 25.204 -7.786 1.00 10.85 C ATOM 317 H VAL A 63 -15.170 23.637 -9.708 1.00 0.00 H ATOM 318 N SER A 64 -10.994 22.797 -10.543 1.00 8.45 N ATOM 319 CA SER A 64 -10.218 21.709 -11.105 1.00 8.57 C ATOM 320 C SER A 64 -8.829 21.622 -10.510 1.00 8.45 C ATOM 321 O SER A 64 -8.170 22.646 -10.249 1.00 9.25 O ATOM 322 CB SER A 64 -10.115 21.872 -12.613 1.00 8.97 C ATOM 323 OG SER A 64 -11.405 21.857 -13.186 1.00 9.83 O ATOM 324 HG SER A 64 -11.940 22.601 -12.812 1.00 0.00 H ATOM 325 H SER A 64 -10.588 23.754 -10.516 1.00 0.00 H ATOM 326 N ILE A 65 -8.343 20.397 -10.341 1.00 7.97 N ATOM 327 CA ILE A 65 -6.934 20.157 -10.015 1.00 8.13 C ATOM 328 C ILE A 65 -6.288 19.587 -11.266 1.00 7.83 C ATOM 329 O ILE A 65 -6.778 18.586 -11.820 1.00 8.52 O ATOM 330 CB ILE A 65 -6.783 19.187 -8.849 1.00 8.74 C ATOM 331 CG1 ILE A 65 -7.375 19.780 -7.571 1.00 9.40 C ATOM 332 CG2 ILE A 65 -5.319 18.805 -8.639 1.00 8.96 C ATOM 333 CD1 ILE A 65 -7.615 18.759 -6.483 1.00 10.02 C ATOM 334 H ILE A 65 -8.982 19.583 -10.443 1.00 0.00 H ATOM 335 N VAL A 66 -5.200 20.214 -11.711 1.00 7.47 N ATOM 336 CA VAL A 66 -4.419 19.733 -12.842 1.00 7.33 C ATOM 337 C VAL A 66 -3.110 19.216 -12.290 1.00 7.16 C ATOM 338 O VAL A 66 -2.413 19.957 -11.592 1.00 7.67 O ATOM 339 CB VAL A 66 -4.193 20.828 -13.881 1.00 7.62 C ATOM 340 CG1 VAL A 66 -3.401 20.272 -15.042 1.00 7.84 C ATOM 341 CG2 VAL A 66 -5.510 21.404 -14.380 1.00 7.98 C ATOM 342 H VAL A 66 -4.895 21.084 -11.230 1.00 0.00 H ATOM 343 N THR A 67 -2.752 17.978 -12.594 1.00 7.00 N ATOM 344 CA THR A 67 -1.556 17.378 -12.020 1.00 7.24 C ATOM 345 C THR A 67 -0.835 16.524 -13.035 1.00 7.14 C ATOM 346 O THR A 67 -1.476 15.923 -13.924 1.00 7.36 O ATOM 347 CB THR A 67 -1.932 16.597 -10.756 1.00 7.68 C ATOM 348 OG1 THR A 67 -0.759 16.110 -10.105 1.00 8.15 O ATOM 349 CG2 THR A 67 -2.849 15.443 -11.011 1.00 8.09 C ATOM 350 HG1 THR A 67 -0.182 16.874 -9.853 1.00 0.00 H ATOM 351 H THR A 67 -3.335 17.425 -13.254 1.00 0.00 H ATOM 352 N ASN A 68 0.486 16.458 -12.916 1.00 7.04 N ATOM 353 CA ASN A 68 1.282 15.562 -13.744 1.00 7.22 C ATOM 354 C ASN A 68 1.558 14.301 -12.948 1.00 7.68 C ATOM 355 O ASN A 68 1.979 14.374 -11.788 1.00 8.51 O ATOM 356 CB ASN A 68 2.579 16.205 -14.245 1.00 7.25 C ATOM 357 CG ASN A 68 3.488 16.681 -13.137 1.00 7.49 C ATOM 358 OD1 ASN A 68 3.085 17.459 -12.268 1.00 7.34 O ATOM 359 ND2 ASN A 68 4.743 16.268 -13.182 1.00 7.84 N ATOM 360 HD22 ASN A 68 5.048 15.612 -13.929 1.00 0.00 H ATOM 361 HD21 ASN A 68 5.425 16.599 -12.470 1.00 0.00 H ATOM 362 H ASN A 68 0.963 17.060 -12.215 1.00 0.00 H ATOM 363 N VAL A 69 1.326 13.144 -13.554 1.00 7.64 N ATOM 364 CA VAL A 69 1.384 11.889 -12.844 1.00 7.92 C ATOM 365 C VAL A 69 2.461 10.973 -13.424 1.00 7.94 C ATOM 366 O VAL A 69 2.975 11.178 -14.533 1.00 8.00 O ATOM 367 CB VAL A 69 0.023 11.178 -12.809 1.00 8.34 C ATOM 368 CG1 VAL A 69 -1.032 12.079 -12.181 1.00 8.49 C ATOM 369 CG2 VAL A 69 -0.451 10.711 -14.191 1.00 8.67 C ATOM 370 H VAL A 69 1.096 13.141 -14.568 1.00 0.00 H ATOM 371 N ALA A 70 2.797 9.955 -12.635 1.00 8.15 N ATOM 372 CA ALA A 70 3.740 8.919 -13.055 1.00 8.74 C ATOM 373 C ALA A 70 3.429 7.681 -12.233 1.00 9.13 C ATOM 374 O ALA A 70 2.984 7.770 -11.081 1.00 9.69 O ATOM 375 CB ALA A 70 5.176 9.367 -12.839 1.00 9.15 C ATOM 376 H ALA A 70 2.374 9.894 -11.687 1.00 0.00 H ATOM 377 N SER A 71 3.707 6.512 -12.805 1.00 9.70 N ATOM 378 CA SER A 71 3.292 5.254 -12.177 1.00 10.48 C ATOM 379 C SER A 71 4.390 4.615 -11.316 1.00 11.25 C ATOM 380 O SER A 71 4.078 3.725 -10.523 1.00 12.00 O ATOM 381 CB SER A 71 2.886 4.231 -13.240 1.00 11.12 C ATOM 382 OG SER A 71 1.857 4.690 -14.062 1.00 11.43 O ATOM 383 HG SER A 71 2.150 5.513 -14.528 1.00 0.00 H ATOM 384 H SER A 71 4.224 6.491 -13.707 1.00 0.00 H ATOM 385 N GLN A 72 5.642 5.043 -11.465 1.00 11.54 N ATOM 386 CA GLN A 72 6.799 4.365 -10.832 1.00 12.71 C ATOM 387 C GLN A 72 7.595 5.304 -9.919 1.00 12.98 C ATOM 388 O GLN A 72 8.834 5.263 -9.862 1.00 14.46 O ATOM 389 CB GLN A 72 7.712 3.743 -11.910 1.00 13.38 C ATOM 390 CG GLN A 72 6.970 2.786 -12.822 1.00 14.25 C ATOM 391 CD GLN A 72 7.847 2.094 -13.851 1.00 15.12 C ATOM 392 OE1 GLN A 72 9.093 2.185 -13.837 1.00 17.87 O ATOM 393 NE2 GLN A 72 7.202 1.422 -14.772 1.00 14.94 N ATOM 394 HE22 GLN A 72 6.164 1.371 -14.747 1.00 0.00 H ATOM 395 HE21 GLN A 72 7.728 0.939 -15.528 1.00 0.00 H ATOM 396 H GLN A 72 5.815 5.886 -12.048 1.00 0.00 H TER 397 GLN A 72 ATOM 398 N GLY A 74 8.049 6.723 -5.844 1.00 13.68 N ATOM 399 CA GLY A 74 7.783 6.326 -4.459 1.00 14.53 C ATOM 400 C GLY A 74 6.466 6.823 -3.879 1.00 14.83 C ATOM 401 O GLY A 74 5.866 6.145 -3.036 1.00 16.36 O ATOM 402 HN3 GLY A 74 8.072 7.761 -5.908 1.00 0.00 H ATOM 403 HN2 GLY A 74 7.297 6.353 -6.460 1.00 0.00 H ATOM 404 HN1 GLY A 74 8.966 6.336 -6.144 1.00 0.00 H ATOM 405 N LYS A 75 6.010 7.989 -4.320 1.00 14.44 N ATOM 406 CA LYS A 75 4.763 8.572 -3.852 1.00 14.53 C ATOM 407 C LYS A 75 3.592 8.376 -4.833 1.00 12.66 C ATOM 408 O LYS A 75 2.566 9.023 -4.689 1.00 12.31 O ATOM 409 CB LYS A 75 4.965 10.066 -3.562 1.00 16.21 C ATOM 410 CG LYS A 75 6.037 10.405 -2.533 1.00 18.23 C ATOM 411 CD LYS A 75 6.355 11.897 -2.578 1.00 19.72 C ATOM 412 CE LYS A 75 7.466 12.274 -1.618 1.00 21.38 C ATOM 413 NZ LYS A 75 8.804 11.754 -2.003 1.00 22.62 N ATOM 414 HZ1 LYS A 75 8.773 10.715 -2.043 1.00 0.00 H ATOM 415 HZ2 LYS A 75 9.065 12.130 -2.937 1.00 0.00 H ATOM 416 HZ3 LYS A 75 9.507 12.054 -1.298 1.00 0.00 H ATOM 417 H LYS A 75 6.567 8.507 -5.029 1.00 0.00 H ATOM 418 N THR A 76 3.734 7.497 -5.822 1.00 11.69 N ATOM 419 CA THR A 76 2.634 7.228 -6.755 1.00 10.87 C ATOM 420 C THR A 76 1.388 6.754 -6.008 1.00 11.04 C ATOM 421 O THR A 76 0.291 7.264 -6.255 1.00 10.34 O ATOM 422 CB THR A 76 3.070 6.192 -7.808 1.00 10.69 C ATOM 423 OG1 THR A 76 4.001 6.807 -8.709 1.00 10.49 O ATOM 424 CG2 THR A 76 1.870 5.642 -8.591 1.00 10.69 C ATOM 425 HG1 THR A 76 3.567 7.576 -9.156 1.00 0.00 H ATOM 426 H THR A 76 4.637 6.994 -5.935 1.00 0.00 H ATOM 427 N GLU A 77 1.547 5.806 -5.080 1.00 11.80 N ATOM 428 CA GLU A 77 0.391 5.276 -4.363 1.00 12.94 C ATOM 429 C GLU A 77 -0.306 6.341 -3.525 1.00 12.50 C ATOM 430 O GLU A 77 -1.521 6.458 -3.581 1.00 12.38 O ATOM 431 CB GLU A 77 0.790 4.092 -3.482 1.00 14.87 C ATOM 432 CG GLU A 77 -0.381 3.441 -2.740 1.00 16.84 C ATOM 433 CD GLU A 77 0.030 2.283 -1.841 1.00 19.15 C ATOM 434 OE1 GLU A 77 1.218 1.904 -1.827 1.00 21.68 O ATOM 435 OE2 GLU A 77 -0.856 1.742 -1.144 1.00 21.97 O ATOM 436 H GLU A 77 2.499 5.444 -4.867 1.00 0.00 H ATOM 437 N VAL A 78 0.447 7.117 -2.747 1.00 12.49 N ATOM 438 CA VAL A 78 -0.182 8.155 -1.922 1.00 12.95 C ATOM 439 C VAL A 78 -0.893 9.180 -2.800 1.00 11.68 C ATOM 440 O VAL A 78 -2.000 9.621 -2.487 1.00 11.60 O ATOM 441 CB VAL A 78 0.801 8.819 -0.942 1.00 14.38 C ATOM 442 CG1 VAL A 78 1.907 9.607 -1.604 1.00 14.73 C ATOM 443 CG2 VAL A 78 0.053 9.690 0.043 1.00 15.33 C ATOM 444 H VAL A 78 1.479 6.988 -2.724 1.00 0.00 H ATOM 445 N ASN A 79 -0.271 9.580 -3.907 1.00 11.11 N ATOM 446 CA ASN A 79 -0.908 10.590 -4.751 1.00 10.77 C ATOM 447 C ASN A 79 -2.178 10.073 -5.404 1.00 10.30 C ATOM 448 O ASN A 79 -3.203 10.732 -5.348 1.00 10.10 O ATOM 449 CB ASN A 79 0.058 11.156 -5.794 1.00 10.97 C ATOM 450 CG ASN A 79 0.904 12.261 -5.223 1.00 11.53 C ATOM 451 OD1 ASN A 79 0.502 13.426 -5.238 1.00 12.08 O ATOM 452 ND2 ASN A 79 2.062 11.917 -4.713 1.00 12.43 N ATOM 453 HD22 ASN A 79 2.359 10.920 -4.723 1.00 0.00 H ATOM 454 HD21 ASN A 79 2.683 12.641 -4.299 1.00 0.00 H ATOM 455 H ASN A 79 0.653 9.181 -4.167 1.00 0.00 H ATOM 456 N TYR A 80 -2.126 8.897 -6.020 1.00 10.22 N ATOM 457 CA TYR A 80 -3.342 8.392 -6.644 1.00 10.26 C ATOM 458 C TYR A 80 -4.429 8.138 -5.615 1.00 10.54 C ATOM 459 O TYR A 80 -5.581 8.489 -5.855 1.00 10.51 O ATOM 460 CB TYR A 80 -3.085 7.110 -7.421 1.00 10.45 C ATOM 461 CG TYR A 80 -2.734 7.339 -8.877 1.00 10.67 C ATOM 462 CD1 TYR A 80 -3.740 7.595 -9.813 1.00 11.15 C ATOM 463 CD2 TYR A 80 -1.420 7.329 -9.332 1.00 10.89 C ATOM 464 CE1 TYR A 80 -3.456 7.799 -11.153 1.00 11.32 C ATOM 465 CE2 TYR A 80 -1.113 7.541 -10.672 1.00 10.79 C ATOM 466 CZ TYR A 80 -2.144 7.753 -11.582 1.00 10.71 C ATOM 467 OH TYR A 80 -1.869 7.929 -12.926 1.00 11.01 O ATOM 468 HH TYR A 80 -1.408 7.125 -13.275 1.00 0.00 H ATOM 469 H TYR A 80 -1.241 8.352 -6.056 1.00 0.00 H ATOM 470 N THR A 81 -4.093 7.534 -4.471 1.00 10.92 N ATOM 471 CA THR A 81 -5.160 7.225 -3.526 1.00 11.72 C ATOM 472 C THR A 81 -5.795 8.503 -2.966 1.00 11.10 C ATOM 473 O THR A 81 -7.018 8.557 -2.794 1.00 10.90 O ATOM 474 CB THR A 81 -4.711 6.298 -2.420 1.00 13.06 C ATOM 475 OG1 THR A 81 -3.672 6.924 -1.742 1.00 13.99 O ATOM 476 CG2 THR A 81 -4.193 4.986 -2.947 1.00 13.58 C ATOM 477 HG1 THR A 81 -2.927 7.098 -2.370 1.00 0.00 H ATOM 478 H THR A 81 -3.103 7.292 -4.262 1.00 0.00 H ATOM 479 N GLN A 82 -4.989 9.535 -2.712 1.00 10.69 N ATOM 480 CA GLN A 82 -5.547 10.787 -2.194 1.00 10.84 C ATOM 481 C GLN A 82 -6.285 11.593 -3.260 1.00 10.35 C ATOM 482 O GLN A 82 -7.274 12.253 -2.937 1.00 10.52 O ATOM 483 CB GLN A 82 -4.496 11.636 -1.503 1.00 11.31 C ATOM 484 CG GLN A 82 -3.984 10.994 -0.234 1.00 12.15 C ATOM 485 CD GLN A 82 -3.050 11.892 0.550 1.00 12.84 C ATOM 486 OE1 GLN A 82 -2.862 13.055 0.233 1.00 12.85 O ATOM 487 NE2 GLN A 82 -2.478 11.347 1.598 1.00 14.19 N ATOM 488 HE22 GLN A 82 -2.665 10.351 1.834 1.00 0.00 H ATOM 489 HE21 GLN A 82 -1.838 11.911 2.193 1.00 0.00 H ATOM 490 H GLN A 82 -3.966 9.451 -2.881 1.00 0.00 H ATOM 491 N LEU A 83 -5.845 11.544 -4.518 1.00 9.88 N ATOM 492 CA LEU A 83 -6.637 12.175 -5.575 1.00 9.81 C ATOM 493 C LEU A 83 -7.998 11.486 -5.731 1.00 9.84 C ATOM 494 O LEU A 83 -9.036 12.154 -5.906 1.00 9.74 O ATOM 495 CB LEU A 83 -5.873 12.144 -6.900 1.00 9.93 C ATOM 496 CG LEU A 83 -4.654 13.057 -6.951 1.00 10.35 C ATOM 497 CD1 LEU A 83 -3.803 12.702 -8.150 1.00 10.78 C ATOM 498 CD2 LEU A 83 -5.034 14.529 -7.004 1.00 10.41 C ATOM 499 H LEU A 83 -4.951 11.064 -4.745 1.00 0.00 H ATOM 500 N VAL A 84 -8.014 10.154 -5.657 1.00 9.98 N ATOM 501 CA VAL A 84 -9.259 9.408 -5.696 1.00 10.51 C ATOM 502 C VAL A 84 -10.146 9.825 -4.508 1.00 11.21 C ATOM 503 O VAL A 84 -11.353 10.035 -4.683 1.00 11.50 O ATOM 504 CB VAL A 84 -8.975 7.893 -5.721 1.00 10.87 C ATOM 505 CG1 VAL A 84 -10.233 7.062 -5.453 1.00 11.48 C ATOM 506 CG2 VAL A 84 -8.402 7.520 -7.076 1.00 10.63 C ATOM 507 H VAL A 84 -7.115 9.639 -5.569 1.00 0.00 H ATOM 508 N ASP A 85 -9.559 9.960 -3.310 1.00 11.73 N ATOM 509 CA ASP A 85 -10.304 10.394 -2.096 1.00 12.51 C ATOM 510 C ASP A 85 -10.958 11.751 -2.323 1.00 12.20 C ATOM 511 O ASP A 85 -12.131 11.958 -2.017 1.00 12.49 O ATOM 512 CB ASP A 85 -9.382 10.552 -0.867 1.00 13.25 C ATOM 513 CG ASP A 85 -8.806 9.244 -0.357 1.00 13.94 C ATOM 514 OD1 ASP A 85 -9.382 8.177 -0.633 1.00 14.47 O ATOM 515 OD2 ASP A 85 -7.756 9.310 0.330 1.00 14.65 O ATOM 516 H ASP A 85 -8.543 9.753 -3.225 1.00 0.00 H ATOM 517 N LEU A 86 -10.169 12.690 -2.834 1.00 11.75 N ATOM 518 CA LEU A 86 -10.678 14.040 -3.087 1.00 12.10 C ATOM 519 C LEU A 86 -11.831 13.999 -4.068 1.00 11.37 C ATOM 520 O LEU A 86 -12.858 14.644 -3.859 1.00 11.35 O ATOM 521 CB LEU A 86 -9.589 14.940 -3.662 1.00 12.48 C ATOM 522 CG LEU A 86 -8.520 15.415 -2.675 1.00 13.43 C ATOM 523 CD1 LEU A 86 -7.473 16.200 -3.436 1.00 13.69 C ATOM 524 CD2 LEU A 86 -9.078 16.259 -1.544 1.00 14.33 C ATOM 525 H LEU A 86 -9.179 12.464 -3.057 1.00 0.00 H ATOM 526 N HIS A 87 -11.665 13.250 -5.152 1.00 10.90 N ATOM 527 CA HIS A 87 -12.727 13.171 -6.140 1.00 11.26 C ATOM 528 C HIS A 87 -13.979 12.523 -5.555 1.00 11.83 C ATOM 529 O HIS A 87 -15.091 12.994 -5.780 1.00 11.98 O ATOM 530 CB HIS A 87 -12.211 12.434 -7.371 1.00 11.41 C ATOM 531 CG HIS A 87 -13.180 12.434 -8.503 1.00 12.05 C ATOM 532 ND1 HIS A 87 -14.073 11.407 -8.711 1.00 12.98 N ATOM 533 CD2 HIS A 87 -13.438 13.359 -9.451 1.00 12.39 C ATOM 534 CE1 HIS A 87 -14.795 11.673 -9.785 1.00 13.18 C ATOM 535 NE2 HIS A 87 -14.448 12.862 -10.237 1.00 12.76 N ATOM 536 H HIS A 87 -10.780 12.723 -5.293 1.00 0.00 H ATOM 537 N ALA A 88 -13.809 11.455 -4.783 1.00 12.37 N ATOM 538 CA ALA A 88 -14.946 10.787 -4.174 1.00 13.32 C ATOM 539 C ALA A 88 -15.730 11.735 -3.282 1.00 13.78 C ATOM 540 O ALA A 88 -16.973 11.723 -3.270 1.00 14.65 O ATOM 541 CB ALA A 88 -14.491 9.563 -3.384 1.00 13.70 C ATOM 542 H ALA A 88 -12.849 11.093 -4.613 1.00 0.00 H ATOM 543 N ARG A 89 -15.013 12.555 -2.530 1.00 13.77 N ATOM 544 CA ARG A 89 -15.635 13.410 -1.551 1.00 14.61 C ATOM 545 C ARG A 89 -16.137 14.745 -2.087 1.00 13.60 C ATOM 546 O ARG A 89 -17.075 15.321 -1.502 1.00 14.23 O ATOM 547 CB ARG A 89 -14.726 13.532 -0.338 1.00 16.10 C ATOM 548 CG ARG A 89 -14.750 12.203 0.433 1.00 17.69 C ATOM 549 CD ARG A 89 -14.125 12.233 1.806 1.00 19.05 C ATOM 550 NE ARG A 89 -12.714 12.584 1.720 1.00 19.72 N ATOM 551 CZ ARG A 89 -12.206 13.792 1.958 1.00 20.26 C ATOM 552 NH1 ARG A 89 -12.975 14.802 2.366 1.00 21.18 N ATOM 553 NH2 ARG A 89 -10.898 13.974 1.838 1.00 20.52 N ATOM 554 HE ARG A 89 -12.050 11.831 1.451 1.00 0.00 H ATOM 555 HH12 ARG A 89 -12.555 15.736 2.545 1.00 0.00 H ATOM 556 HH11 ARG A 89 -13.995 14.656 2.505 1.00 0.00 H ATOM 557 HH22 ARG A 89 -10.484 14.911 2.020 1.00 0.00 H ATOM 558 HH21 ARG A 89 -10.286 13.180 1.562 1.00 0.00 H ATOM 559 H ARG A 89 -13.980 12.583 -2.648 1.00 0.00 H ATOM 560 N TYR A 90 -15.580 15.226 -3.201 1.00 12.22 N ATOM 561 CA TYR A 90 -15.914 16.554 -3.684 1.00 11.91 C ATOM 562 C TYR A 90 -16.450 16.630 -5.113 1.00 11.32 C ATOM 563 O TYR A 90 -16.839 17.717 -5.533 1.00 10.77 O ATOM 564 CB TYR A 90 -14.706 17.488 -3.544 1.00 12.03 C ATOM 565 CG TYR A 90 -14.304 17.735 -2.101 1.00 13.03 C ATOM 566 CD1 TYR A 90 -15.046 18.575 -1.280 1.00 14.22 C ATOM 567 CD2 TYR A 90 -13.198 17.100 -1.548 1.00 13.47 C ATOM 568 CE1 TYR A 90 -14.688 18.799 0.037 1.00 15.39 C ATOM 569 CE2 TYR A 90 -12.840 17.310 -0.216 1.00 14.63 C ATOM 570 CZ TYR A 90 -13.599 18.167 0.554 1.00 15.41 C ATOM 571 OH TYR A 90 -13.350 18.440 1.884 1.00 17.52 O ATOM 572 HH TYR A 90 -13.400 17.601 2.407 1.00 0.00 H ATOM 573 H TYR A 90 -14.899 14.643 -3.729 1.00 0.00 H ATOM 574 N ALA A 91 -16.488 15.531 -5.867 1.00 11.12 N ATOM 575 CA ALA A 91 -17.033 15.606 -7.225 1.00 11.09 C ATOM 576 C ALA A 91 -18.438 16.179 -7.251 1.00 11.58 C ATOM 577 O ALA A 91 -18.776 16.931 -8.159 1.00 10.86 O ATOM 578 CB ALA A 91 -17.034 14.238 -7.870 1.00 11.46 C ATOM 579 H ALA A 91 -16.133 14.627 -5.494 1.00 0.00 H ATOM 580 N GLU A 92 -19.253 15.852 -6.259 1.00 12.61 N ATOM 581 CA GLU A 92 -20.629 16.331 -6.253 1.00 13.98 C ATOM 582 C GLU A 92 -20.745 17.817 -5.983 1.00 13.51 C ATOM 583 O GLU A 92 -21.800 18.382 -6.213 1.00 13.89 O ATOM 584 CB GLU A 92 -21.458 15.542 -5.253 1.00 16.01 C ATOM 585 CG GLU A 92 -21.497 14.082 -5.648 1.00 17.98 C ATOM 586 CD GLU A 92 -22.672 13.298 -5.126 1.00 20.31 C ATOM 587 OE1 GLU A 92 -22.561 12.047 -5.169 1.00 22.84 O ATOM 588 OE2 GLU A 92 -23.688 13.894 -4.693 1.00 22.60 O ATOM 589 H GLU A 92 -18.910 15.252 -5.482 1.00 0.00 H ATOM 590 N ARG A 93 -19.671 18.441 -5.491 1.00 13.31 N ATOM 591 CA ARG A 93 -19.587 19.883 -5.308 1.00 13.96 C ATOM 592 C ARG A 93 -18.940 20.560 -6.504 1.00 13.05 C ATOM 593 O ARG A 93 -18.856 21.779 -6.552 1.00 14.49 O ATOM 594 CB ARG A 93 -18.825 20.186 -4.003 1.00 15.34 C ATOM 595 CG ARG A 93 -19.692 19.872 -2.796 1.00 17.42 C ATOM 596 CD ARG A 93 -18.978 19.841 -1.462 1.00 19.03 C ATOM 597 NE ARG A 93 -18.579 21.182 -1.065 1.00 20.37 N ATOM 598 CZ ARG A 93 -17.969 21.483 0.083 1.00 21.40 C ATOM 599 NH1 ARG A 93 -17.637 20.535 0.958 1.00 22.19 N ATOM 600 NH2 ARG A 93 -17.668 22.754 0.332 1.00 22.00 N ATOM 601 HE ARG A 93 -18.784 21.962 -1.722 1.00 0.00 H ATOM 602 HH12 ARG A 93 -17.162 20.791 1.847 1.00 0.00 H ATOM 603 HH11 ARG A 93 -17.853 19.539 0.752 1.00 0.00 H ATOM 604 HH22 ARG A 93 -17.193 23.011 1.220 1.00 0.00 H ATOM 605 HH21 ARG A 93 -17.908 23.491 -0.362 1.00 0.00 H ATOM 606 H ARG A 93 -18.848 17.864 -5.224 1.00 0.00 H ATOM 607 N GLY A 94 -18.498 19.784 -7.483 1.00 11.82 N ATOM 608 CA GLY A 94 -17.914 20.344 -8.689 1.00 11.31 C ATOM 609 C GLY A 94 -16.429 20.106 -8.876 1.00 10.54 C ATOM 610 O GLY A 94 -15.875 20.577 -9.873 1.00 11.46 O ATOM 611 H GLY A 94 -18.571 18.751 -7.386 1.00 0.00 H ATOM 612 N LEU A 95 -15.753 19.383 -7.976 1.00 9.95 N ATOM 613 CA LEU A 95 -14.317 19.131 -8.176 1.00 9.29 C ATOM 614 C LEU A 95 -14.092 18.218 -9.363 1.00 8.78 C ATOM 615 O LEU A 95 -14.726 17.157 -9.456 1.00 8.88 O ATOM 616 CB LEU A 95 -13.691 18.520 -6.927 1.00 9.68 C ATOM 617 CG LEU A 95 -12.184 18.278 -7.061 1.00 9.62 C ATOM 618 CD1 LEU A 95 -11.412 19.584 -7.141 1.00 9.91 C ATOM 619 CD2 LEU A 95 -11.667 17.444 -5.915 1.00 9.91 C ATOM 620 H LEU A 95 -16.240 19.001 -7.140 1.00 0.00 H ATOM 621 N ARG A 96 -13.176 18.629 -10.236 1.00 8.16 N ATOM 622 CA ARG A 96 -12.705 17.796 -11.334 1.00 7.76 C ATOM 623 C ARG A 96 -11.202 17.688 -11.241 1.00 7.48 C ATOM 624 O ARG A 96 -10.543 18.596 -10.731 1.00 7.71 O ATOM 625 CB ARG A 96 -13.156 18.399 -12.659 1.00 7.75 C ATOM 626 CG ARG A 96 -14.670 18.528 -12.786 1.00 8.08 C ATOM 627 CD ARG A 96 -15.398 17.195 -12.818 1.00 8.31 C ATOM 628 NE ARG A 96 -16.849 17.322 -12.939 1.00 8.65 N ATOM 629 CZ ARG A 96 -17.703 17.284 -11.923 1.00 9.02 C ATOM 630 NH1 ARG A 96 -17.311 17.182 -10.664 1.00 9.10 N ATOM 631 NH2 ARG A 96 -18.990 17.344 -12.190 1.00 9.61 N ATOM 632 HE ARG A 96 -17.242 17.452 -13.893 1.00 0.00 H ATOM 633 HH12 ARG A 96 -18.016 17.156 -9.900 1.00 0.00 H ATOM 634 HH11 ARG A 96 -16.297 17.128 -10.438 1.00 0.00 H ATOM 635 HH22 ARG A 96 -19.684 17.316 -11.416 1.00 0.00 H ATOM 636 HH21 ARG A 96 -19.314 17.419 -13.175 1.00 0.00 H ATOM 637 H ARG A 96 -12.780 19.585 -10.130 1.00 0.00 H ATOM 638 N ILE A 97 -10.645 16.581 -11.729 1.00 7.50 N ATOM 639 CA ILE A 97 -9.204 16.363 -11.680 1.00 7.69 C ATOM 640 C ILE A 97 -8.767 15.930 -13.065 1.00 7.49 C ATOM 641 O ILE A 97 -9.336 15.009 -13.662 1.00 8.08 O ATOM 642 CB ILE A 97 -8.805 15.320 -10.613 1.00 8.20 C ATOM 643 CG1 ILE A 97 -9.338 15.743 -9.227 1.00 8.69 C ATOM 644 CG2 ILE A 97 -7.288 15.116 -10.600 1.00 8.34 C ATOM 645 CD1 ILE A 97 -8.999 14.784 -8.084 1.00 9.34 C ATOM 646 H ILE A 97 -11.253 15.853 -12.156 1.00 0.00 H ATOM 647 N LEU A 98 -7.754 16.632 -13.570 1.00 7.25 N ATOM 648 CA LEU A 98 -7.140 16.376 -14.869 1.00 7.31 C ATOM 649 C LEU A 98 -5.749 15.845 -14.619 1.00 7.09 C ATOM 650 O LEU A 98 -4.890 16.571 -14.120 1.00 7.57 O ATOM 651 CB LEU A 98 -7.038 17.626 -15.728 1.00 7.60 C ATOM 652 CG LEU A 98 -8.304 18.321 -16.218 1.00 8.21 C ATOM 653 CD1 LEU A 98 -9.084 19.041 -15.127 1.00 8.50 C ATOM 654 CD2 LEU A 98 -7.902 19.312 -17.298 1.00 8.60 C ATOM 655 H LEU A 98 -7.375 17.415 -13.000 1.00 0.00 H ATOM 656 N ALA A 99 -5.490 14.582 -14.961 1.00 7.01 N ATOM 657 CA ALA A 99 -4.216 13.936 -14.713 1.00 7.02 C ATOM 658 C ALA A 99 -3.483 13.732 -16.037 1.00 6.91 C ATOM 659 O ALA A 99 -3.958 13.027 -16.945 1.00 7.38 O ATOM 660 CB ALA A 99 -4.438 12.614 -14.007 1.00 7.46 C ATOM 661 H ALA A 99 -6.239 14.033 -15.429 1.00 0.00 H ATOM 662 N PHE A 100 -2.307 14.351 -16.129 1.00 6.68 N ATOM 663 CA PHE A 100 -1.444 14.287 -17.308 1.00 6.92 C ATOM 664 C PHE A 100 -0.223 13.439 -17.015 1.00 6.93 C ATOM 665 O PHE A 100 0.652 13.881 -16.268 1.00 7.15 O ATOM 666 CB PHE A 100 -0.999 15.689 -17.709 1.00 7.01 C ATOM 667 CG PHE A 100 -2.092 16.514 -18.327 1.00 7.20 C ATOM 668 CD1 PHE A 100 -2.929 17.314 -17.565 1.00 7.36 C ATOM 669 CD2 PHE A 100 -2.280 16.479 -19.693 1.00 7.78 C ATOM 670 CE1 PHE A 100 -3.939 18.070 -18.157 1.00 7.79 C ATOM 671 CE2 PHE A 100 -3.275 17.229 -20.287 1.00 8.20 C ATOM 672 CZ PHE A 100 -4.109 18.020 -19.526 1.00 8.07 C ATOM 673 H PHE A 100 -1.984 14.912 -15.315 1.00 0.00 H ATOM 674 N PRO A 101 -0.134 12.234 -17.554 1.00 7.12 N ATOM 675 CA PRO A 101 1.084 11.473 -17.366 1.00 7.50 C ATOM 676 C PRO A 101 2.267 12.168 -18.029 1.00 7.43 C ATOM 677 O PRO A 101 2.099 12.823 -19.074 1.00 7.61 O ATOM 678 CB PRO A 101 0.783 10.143 -18.077 1.00 7.76 C ATOM 679 CG PRO A 101 -0.704 10.102 -18.235 1.00 7.92 C ATOM 680 CD PRO A 101 -1.106 11.524 -18.390 1.00 7.55 C ATOM 681 N SER A 102 3.459 12.022 -17.459 1.00 7.85 N ATOM 682 CA SER A 102 4.669 12.521 -18.094 1.00 8.20 C ATOM 683 C SER A 102 5.820 11.638 -17.688 1.00 8.30 C ATOM 684 O SER A 102 5.890 11.230 -16.532 1.00 8.66 O ATOM 685 CB SER A 102 4.951 13.966 -17.695 1.00 8.48 C ATOM 686 OG SER A 102 6.087 14.467 -18.378 1.00 9.54 O ATOM 687 HG SER A 102 5.926 14.432 -19.354 1.00 0.00 H ATOM 688 H SER A 102 3.528 11.541 -16.540 1.00 0.00 H ATOM 689 N ASN A 103 6.714 11.369 -18.643 1.00 8.56 N ATOM 690 CA ASN A 103 7.908 10.567 -18.415 1.00 8.96 C ATOM 691 C ASN A 103 9.158 11.417 -18.228 1.00 9.35 C ATOM 692 O ASN A 103 10.262 10.873 -18.309 1.00 10.23 O ATOM 693 CB ASN A 103 8.104 9.594 -19.582 1.00 9.36 C ATOM 694 CG ASN A 103 8.988 8.414 -19.237 1.00 9.81 C ATOM 695 OD1 ASN A 103 8.963 7.921 -18.127 1.00 10.18 O ATOM 696 ND2 ASN A 103 9.733 7.926 -20.214 1.00 10.47 N ATOM 697 HD22 ASN A 103 9.725 8.379 -21.150 1.00 0.00 H ATOM 698 HD21 ASN A 103 10.327 7.089 -20.046 1.00 0.00 H ATOM 699 H ASN A 103 6.549 11.751 -19.596 1.00 0.00 H ATOM 700 N GLN A 104 9.004 12.719 -17.947 1.00 9.33 N ATOM 701 CA GLN A 104 10.170 13.598 -17.862 1.00 9.91 C ATOM 702 C GLN A 104 10.935 13.531 -16.552 1.00 10.15 C ATOM 703 O GLN A 104 11.993 14.176 -16.458 1.00 11.16 O ATOM 704 CB GLN A 104 9.766 15.039 -18.125 1.00 10.14 C ATOM 705 CG GLN A 104 9.536 15.319 -19.581 1.00 10.59 C ATOM 706 CD GLN A 104 9.365 16.808 -19.835 1.00 10.62 C ATOM 707 OE1 GLN A 104 8.443 17.429 -19.324 1.00 9.99 O ATOM 708 NE2 GLN A 104 10.244 17.390 -20.608 1.00 11.51 N ATOM 709 HE22 GLN A 104 11.016 16.834 -21.027 1.00 0.00 H ATOM 710 HE21 GLN A 104 10.171 18.409 -20.804 1.00 0.00 H ATOM 711 H GLN A 104 8.052 13.105 -17.789 1.00 0.00 H ATOM 712 N PHE A 105 10.455 12.804 -15.550 1.00 9.93 N ATOM 713 CA PHE A 105 11.061 12.823 -14.218 1.00 10.27 C ATOM 714 C PHE A 105 11.458 11.418 -13.796 1.00 10.77 C ATOM 715 O PHE A 105 10.650 10.641 -13.278 1.00 11.22 O ATOM 716 CB PHE A 105 10.117 13.477 -13.231 1.00 9.98 C ATOM 717 CG PHE A 105 9.679 14.833 -13.674 1.00 9.61 C ATOM 718 CD1 PHE A 105 10.548 15.922 -13.625 1.00 9.99 C ATOM 719 CD2 PHE A 105 8.425 15.018 -14.219 1.00 9.41 C ATOM 720 CE1 PHE A 105 10.149 17.158 -14.082 1.00 10.08 C ATOM 721 CE2 PHE A 105 8.035 16.262 -14.657 1.00 9.44 C ATOM 722 CZ PHE A 105 8.906 17.320 -14.604 1.00 9.72 C ATOM 723 H PHE A 105 9.623 12.203 -15.717 1.00 0.00 H ATOM 724 N GLY A 106 12.729 11.110 -14.013 1.00 11.30 N ATOM 725 CA GLY A 106 13.285 9.808 -13.673 1.00 11.85 C ATOM 726 C GLY A 106 12.785 8.659 -14.532 1.00 12.15 C ATOM 727 O GLY A 106 12.877 7.498 -14.134 1.00 12.34 O ATOM 728 H GLY A 106 13.352 11.824 -14.442 1.00 0.00 H ATOM 729 N LYS A 107 12.230 8.970 -15.701 1.00 12.44 N ATOM 730 CA LYS A 107 11.607 7.956 -16.553 1.00 13.01 C ATOM 731 C LYS A 107 10.625 7.104 -15.744 1.00 11.98 C ATOM 732 O LYS A 107 10.598 5.879 -15.850 1.00 12.43 O ATOM 733 CB LYS A 107 12.665 7.112 -17.262 1.00 15.25 C ATOM 734 CG LYS A 107 13.517 7.957 -18.175 1.00 16.98 C ATOM 735 CD LYS A 107 14.413 7.134 -19.067 1.00 18.89 C ATOM 736 CE LYS A 107 15.303 8.033 -19.909 1.00 20.34 C ATOM 737 NZ LYS A 107 14.556 9.069 -20.673 1.00 21.28 N ATOM 738 HZ1 LYS A 107 13.885 8.606 -21.318 1.00 0.00 H ATOM 739 HZ2 LYS A 107 14.037 9.680 -20.010 1.00 0.00 H ATOM 740 HZ3 LYS A 107 15.226 9.643 -21.223 1.00 0.00 H ATOM 741 H LYS A 107 12.239 9.961 -16.018 1.00 0.00 H ATOM 742 N GLN A 108 9.791 7.774 -14.946 1.00 11.09 N ATOM 743 CA GLN A 108 8.901 7.049 -14.057 1.00 10.86 C ATOM 744 C GLN A 108 7.510 6.823 -14.650 1.00 10.31 C ATOM 745 O GLN A 108 6.613 6.325 -13.940 1.00 10.34 O ATOM 746 CB GLN A 108 8.851 7.745 -12.702 1.00 11.07 C ATOM 747 CG GLN A 108 10.169 7.598 -11.961 1.00 12.08 C ATOM 748 CD GLN A 108 10.225 8.354 -10.659 1.00 12.78 C ATOM 749 OE1 GLN A 108 9.367 9.178 -10.374 1.00 13.68 O ATOM 750 NE2 GLN A 108 11.246 8.093 -9.865 1.00 13.90 N ATOM 751 HE22 GLN A 108 11.954 7.385 -10.145 1.00 0.00 H ATOM 752 HE21 GLN A 108 11.342 8.596 -8.960 1.00 0.00 H ATOM 753 H GLN A 108 9.779 8.814 -14.961 1.00 0.00 H ATOM 754 N GLU A 109 7.333 7.157 -15.933 1.00 9.97 N ATOM 755 CA GLU A 109 6.108 6.853 -16.648 1.00 9.90 C ATOM 756 C GLU A 109 6.462 6.303 -18.024 1.00 10.08 C ATOM 757 O GLU A 109 6.147 6.904 -19.057 1.00 9.97 O ATOM 758 CB GLU A 109 5.212 8.091 -16.765 1.00 9.86 C ATOM 759 CG GLU A 109 3.812 7.817 -17.277 1.00 10.19 C ATOM 760 CD GLU A 109 2.934 7.222 -16.216 1.00 10.48 C ATOM 761 OE1 GLU A 109 3.220 6.077 -15.782 1.00 10.93 O ATOM 762 OE2 GLU A 109 1.987 7.908 -15.791 1.00 10.65 O ATOM 763 H GLU A 109 8.099 7.651 -16.434 1.00 0.00 H ATOM 764 N PRO A 110 7.128 5.143 -18.065 1.00 10.76 N ATOM 765 CA PRO A 110 7.645 4.653 -19.342 1.00 11.42 C ATOM 766 C PRO A 110 6.611 3.980 -20.231 1.00 11.87 C ATOM 767 O PRO A 110 6.906 3.727 -21.396 1.00 13.02 O ATOM 768 CB PRO A 110 8.692 3.632 -18.902 1.00 11.96 C ATOM 769 CG PRO A 110 8.170 3.099 -17.614 1.00 11.83 C ATOM 770 CD PRO A 110 7.581 4.309 -16.935 1.00 11.10 C ATOM 771 N GLY A 111 5.441 3.664 -19.699 1.00 11.60 N ATOM 772 CA GLY A 111 4.469 2.848 -20.409 1.00 11.82 C ATOM 773 C GLY A 111 3.693 3.567 -21.478 1.00 11.55 C ATOM 774 O GLY A 111 3.736 4.799 -21.620 1.00 11.71 O ATOM 775 H GLY A 111 5.210 4.009 -18.746 1.00 0.00 H ATOM 776 N SER A 112 2.944 2.771 -22.236 1.00 11.52 N ATOM 777 CA SER A 112 2.033 3.320 -23.230 1.00 11.45 C ATOM 778 C SER A 112 0.825 3.958 -22.545 1.00 10.67 C ATOM 779 O SER A 112 0.540 3.692 -21.370 1.00 10.35 O ATOM 780 CB SER A 112 1.514 2.205 -24.137 1.00 12.27 C ATOM 781 OG SER A 112 0.712 1.314 -23.382 1.00 12.80 O ATOM 782 HG SER A 112 0.377 0.593 -23.972 1.00 0.00 H ATOM 783 H SER A 112 3.010 1.740 -22.117 1.00 0.00 H ATOM 784 N ASN A 113 0.072 4.755 -23.287 1.00 10.36 N ATOM 785 CA ASN A 113 -1.152 5.347 -22.747 1.00 10.21 C ATOM 786 C ASN A 113 -2.124 4.277 -22.285 1.00 10.26 C ATOM 787 O ASN A 113 -2.746 4.430 -21.235 1.00 9.87 O ATOM 788 CB ASN A 113 -1.792 6.283 -23.764 1.00 10.47 C ATOM 789 CG ASN A 113 -1.001 7.575 -23.914 1.00 10.62 C ATOM 790 OD1 ASN A 113 -0.557 8.149 -22.930 1.00 11.10 O ATOM 791 ND2 ASN A 113 -0.849 8.051 -25.135 1.00 11.67 N ATOM 792 HD22 ASN A 113 -1.241 7.534 -25.947 1.00 0.00 H ATOM 793 HD21 ASN A 113 -0.337 8.944 -25.285 1.00 0.00 H ATOM 794 H ASN A 113 0.354 4.963 -24.266 1.00 0.00 H ATOM 795 N GLU A 114 -2.248 3.180 -23.027 1.00 10.93 N ATOM 796 CA GLU A 114 -3.107 2.099 -22.573 1.00 11.81 C ATOM 797 C GLU A 114 -2.665 1.500 -21.249 1.00 11.36 C ATOM 798 O GLU A 114 -3.505 1.237 -20.376 1.00 11.15 O ATOM 799 CB GLU A 114 -3.179 1.018 -23.637 1.00 13.45 C ATOM 800 CG GLU A 114 -3.950 -0.247 -23.243 1.00 15.13 C ATOM 801 CD GLU A 114 -5.409 -0.020 -22.911 1.00 16.16 C ATOM 802 OE1 GLU A 114 -5.959 -0.797 -22.085 1.00 17.62 O ATOM 803 OE2 GLU A 114 -6.020 0.876 -23.499 1.00 17.89 O ATOM 804 H GLU A 114 -1.733 3.096 -23.927 1.00 0.00 H ATOM 805 N GLU A 115 -1.358 1.279 -21.081 1.00 11.21 N ATOM 806 CA GLU A 115 -0.837 0.747 -19.841 1.00 11.50 C ATOM 807 C GLU A 115 -1.086 1.705 -18.673 1.00 10.60 C ATOM 808 O GLU A 115 -1.431 1.280 -17.565 1.00 10.63 O ATOM 809 CB GLU A 115 0.652 0.438 -19.968 1.00 12.29 C ATOM 810 CG GLU A 115 0.901 -0.794 -20.831 1.00 13.59 C ATOM 811 CD GLU A 115 2.328 -0.938 -21.353 1.00 14.59 C ATOM 812 OE1 GLU A 115 3.126 0.022 -21.379 1.00 15.61 O ATOM 813 OE2 GLU A 115 2.661 -2.061 -21.780 1.00 16.49 O ATOM 814 H GLU A 115 -0.701 1.494 -21.858 1.00 0.00 H ATOM 815 N ILE A 116 -0.906 2.994 -18.930 1.00 10.00 N ATOM 816 CA ILE A 116 -1.126 3.997 -17.891 1.00 9.74 C ATOM 817 C ILE A 116 -2.604 4.044 -17.503 1.00 9.80 C ATOM 818 O ILE A 116 -2.954 4.149 -16.321 1.00 9.96 O ATOM 819 CB ILE A 116 -0.619 5.382 -18.352 1.00 9.52 C ATOM 820 CG1 ILE A 116 0.891 5.335 -18.601 1.00 9.84 C ATOM 821 CG2 ILE A 116 -0.967 6.445 -17.327 1.00 9.28 C ATOM 822 CD1 ILE A 116 1.376 6.440 -19.497 1.00 9.96 C ATOM 823 H ILE A 116 -0.606 3.293 -19.880 1.00 0.00 H ATOM 824 N LYS A 117 -3.466 3.981 -18.515 1.00 9.96 N ATOM 825 CA LYS A 117 -4.909 3.942 -18.301 1.00 10.49 C ATOM 826 C LYS A 117 -5.286 2.777 -17.386 1.00 10.65 C ATOM 827 O LYS A 117 -6.032 2.941 -16.406 1.00 10.59 O ATOM 828 CB LYS A 117 -5.641 3.822 -19.646 1.00 11.27 C ATOM 829 CG LYS A 117 -7.168 3.781 -19.532 1.00 12.17 C ATOM 830 CD LYS A 117 -7.827 3.558 -20.876 1.00 13.33 C ATOM 831 CE LYS A 117 -9.339 3.519 -20.762 1.00 14.47 C ATOM 832 NZ LYS A 117 -9.941 3.209 -22.079 1.00 15.48 N ATOM 833 HZ1 LYS A 117 -9.669 3.942 -22.764 1.00 0.00 H ATOM 834 HZ2 LYS A 117 -9.599 2.283 -22.406 1.00 0.00 H ATOM 835 HZ3 LYS A 117 -10.977 3.185 -21.988 1.00 0.00 H ATOM 836 H LYS A 117 -3.100 3.959 -19.488 1.00 0.00 H ATOM 837 N GLU A 118 -4.746 1.599 -17.678 1.00 11.15 N ATOM 838 CA GLU A 118 -5.033 0.431 -16.847 1.00 12.29 C ATOM 839 C GLU A 118 -4.488 0.598 -15.442 1.00 11.81 C ATOM 840 O GLU A 118 -5.122 0.179 -14.475 1.00 11.91 O ATOM 841 CB GLU A 118 -4.455 -0.824 -17.489 1.00 13.88 C ATOM 842 CG GLU A 118 -5.170 -1.196 -18.782 1.00 15.58 C ATOM 843 CD GLU A 118 -4.759 -2.536 -19.354 1.00 18.20 C ATOM 844 OE1 GLU A 118 -4.181 -3.367 -18.633 1.00 20.51 O ATOM 845 OE2 GLU A 118 -5.036 -2.790 -20.540 1.00 20.25 O ATOM 846 H GLU A 118 -4.117 1.507 -18.501 1.00 0.00 H ATOM 847 N PHE A 119 -3.302 1.178 -15.319 1.00 11.52 N ATOM 848 CA PHE A 119 -2.704 1.422 -14.001 1.00 11.70 C ATOM 849 C PHE A 119 -3.607 2.312 -13.143 1.00 11.12 C ATOM 850 O PHE A 119 -3.937 1.990 -11.995 1.00 11.28 O ATOM 851 CB PHE A 119 -1.315 2.047 -14.157 1.00 11.94 C ATOM 852 CG PHE A 119 -0.625 2.303 -12.853 1.00 12.52 C ATOM 853 CD1 PHE A 119 0.078 1.296 -12.224 1.00 13.27 C ATOM 854 CD2 PHE A 119 -0.728 3.519 -12.214 1.00 12.64 C ATOM 855 CE1 PHE A 119 0.686 1.498 -10.991 1.00 13.76 C ATOM 856 CE2 PHE A 119 -0.107 3.733 -10.977 1.00 13.07 C ATOM 857 CZ PHE A 119 0.586 2.716 -10.372 1.00 13.73 C ATOM 858 H PHE A 119 -2.785 1.466 -16.174 1.00 0.00 H ATOM 859 N ALA A 120 -4.021 3.427 -13.708 1.00 10.81 N ATOM 860 CA ALA A 120 -4.926 4.336 -12.998 1.00 10.62 C ATOM 861 C ALA A 120 -6.249 3.680 -12.640 1.00 10.73 C ATOM 862 O ALA A 120 -6.763 3.856 -11.523 1.00 10.83 O ATOM 863 CB ALA A 120 -5.148 5.582 -13.826 1.00 10.45 C ATOM 864 H ALA A 120 -3.702 3.666 -14.669 1.00 0.00 H ATOM 865 N ALA A 121 -6.790 2.893 -13.568 1.00 10.99 N ATOM 866 CA ALA A 121 -8.050 2.207 -13.303 1.00 11.36 C ATOM 867 C ALA A 121 -7.941 1.297 -12.089 1.00 11.66 C ATOM 868 O ALA A 121 -8.912 1.113 -11.345 1.00 12.06 O ATOM 869 CB ALA A 121 -8.517 1.434 -14.523 1.00 11.97 C ATOM 870 H ALA A 121 -6.313 2.767 -14.484 1.00 0.00 H ATOM 871 N GLY A 122 -6.763 0.720 -11.854 1.00 11.52 N ATOM 872 CA GLY A 122 -6.563 -0.137 -10.694 1.00 11.99 C ATOM 873 C GLY A 122 -6.705 0.527 -9.342 1.00 12.01 C ATOM 874 O GLY A 122 -6.948 -0.152 -8.345 1.00 12.47 O ATOM 875 H GLY A 122 -5.973 0.885 -12.510 1.00 0.00 H ATOM 876 N TYR A 123 -6.557 1.855 -9.305 1.00 11.87 N ATOM 877 CA TYR A 123 -6.812 2.660 -8.112 1.00 12.59 C ATOM 878 C TYR A 123 -8.250 3.186 -8.051 1.00 12.59 C ATOM 879 O TYR A 123 -8.563 4.033 -7.218 1.00 13.15 O ATOM 880 CB TYR A 123 -5.807 3.824 -8.054 1.00 13.03 C ATOM 881 CG TYR A 123 -4.453 3.407 -7.547 1.00 14.30 C ATOM 882 CD1 TYR A 123 -4.294 3.035 -6.224 1.00 15.69 C ATOM 883 CD2 TYR A 123 -3.322 3.384 -8.374 1.00 15.41 C ATOM 884 CE1 TYR A 123 -3.071 2.639 -5.722 1.00 16.90 C ATOM 885 CE2 TYR A 123 -2.075 3.010 -7.867 1.00 16.31 C ATOM 886 CZ TYR A 123 -1.967 2.640 -6.534 1.00 17.07 C ATOM 887 OH TYR A 123 -0.758 2.263 -5.985 1.00 19.34 O ATOM 888 HH TYR A 123 -0.410 1.472 -6.468 1.00 0.00 H ATOM 889 H TYR A 123 -6.244 2.341 -10.170 1.00 0.00 H ATOM 890 N ASN A 124 -9.127 2.709 -8.929 1.00 12.43 N ATOM 891 CA ASN A 124 -10.529 3.174 -9.015 1.00 12.78 C ATOM 892 C ASN A 124 -10.588 4.660 -9.364 1.00 11.64 C ATOM 893 O ASN A 124 -11.471 5.391 -8.896 1.00 11.70 O ATOM 894 CB ASN A 124 -11.362 2.874 -7.742 1.00 14.41 C ATOM 895 CG ASN A 124 -12.844 2.584 -8.058 1.00 16.11 C ATOM 896 OD1 ASN A 124 -13.241 2.476 -9.206 1.00 17.61 O ATOM 897 ND2 ASN A 124 -13.646 2.401 -7.025 1.00 18.00 N ATOM 898 HD22 ASN A 124 -13.278 2.500 -6.057 1.00 0.00 H ATOM 899 HD21 ASN A 124 -14.645 2.158 -7.179 1.00 0.00 H ATOM 900 H ASN A 124 -8.811 1.971 -9.590 1.00 0.00 H ATOM 901 N VAL A 125 -9.670 5.113 -10.213 1.00 10.72 N ATOM 902 CA VAL A 125 -9.721 6.491 -10.696 1.00 10.22 C ATOM 903 C VAL A 125 -10.985 6.708 -11.507 1.00 10.29 C ATOM 904 O VAL A 125 -11.223 5.984 -12.484 1.00 11.09 O ATOM 905 CB VAL A 125 -8.464 6.803 -11.538 1.00 9.85 C ATOM 906 CG1 VAL A 125 -8.619 8.092 -12.334 1.00 9.58 C ATOM 907 CG2 VAL A 125 -7.255 6.880 -10.618 1.00 9.72 C ATOM 908 H VAL A 125 -8.910 4.481 -10.536 1.00 0.00 H ATOM 909 N LYS A 126 -11.762 7.728 -11.144 1.00 10.47 N ATOM 910 CA LYS A 126 -12.952 8.120 -11.902 1.00 10.89 C ATOM 911 C LYS A 126 -12.862 9.525 -12.459 1.00 10.35 C ATOM 912 O LYS A 126 -13.813 10.013 -13.074 1.00 11.13 O ATOM 913 CB LYS A 126 -14.203 7.964 -11.024 1.00 11.87 C ATOM 914 CG LYS A 126 -14.407 6.551 -10.502 1.00 13.18 C ATOM 915 CD LYS A 126 -15.625 6.422 -9.594 1.00 14.64 C ATOM 916 CE LYS A 126 -15.754 5.043 -8.984 1.00 16.19 C ATOM 917 NZ LYS A 126 -16.900 5.005 -8.049 1.00 18.01 N ATOM 918 HZ1 LYS A 126 -16.751 5.701 -7.291 1.00 0.00 H ATOM 919 HZ2 LYS A 126 -17.774 5.234 -8.564 1.00 0.00 H ATOM 920 HZ3 LYS A 126 -16.978 4.053 -7.637 1.00 0.00 H ATOM 921 H LYS A 126 -11.514 8.266 -10.290 1.00 0.00 H ATOM 922 N PHE A 127 -11.735 10.176 -12.237 1.00 9.70 N ATOM 923 CA PHE A 127 -11.452 11.486 -12.788 1.00 9.29 C ATOM 924 C PHE A 127 -10.818 11.338 -14.164 1.00 9.04 C ATOM 925 O PHE A 127 -10.801 10.233 -14.717 1.00 9.92 O ATOM 926 CB PHE A 127 -10.659 12.354 -11.802 1.00 9.00 C ATOM 927 CG PHE A 127 -9.394 11.736 -11.277 1.00 8.99 C ATOM 928 CD1 PHE A 127 -8.219 11.777 -12.010 1.00 8.84 C ATOM 929 CD2 PHE A 127 -9.359 11.170 -10.015 1.00 9.37 C ATOM 930 CE1 PHE A 127 -7.043 11.241 -11.515 1.00 8.92 C ATOM 931 CE2 PHE A 127 -8.191 10.652 -9.504 1.00 9.30 C ATOM 932 CZ PHE A 127 -7.036 10.681 -10.249 1.00 9.03 C ATOM 933 H PHE A 127 -11.015 9.726 -11.637 1.00 0.00 H ATOM 934 N ASP A 128 -10.366 12.432 -14.753 1.00 8.88 N ATOM 935 CA ASP A 128 -10.042 12.434 -16.177 1.00 8.99 C ATOM 936 C ASP A 128 -8.568 12.226 -16.429 1.00 8.49 C ATOM 937 O ASP A 128 -7.737 12.986 -15.945 1.00 8.89 O ATOM 938 CB ASP A 128 -10.542 13.750 -16.785 1.00 9.55 C ATOM 939 CG ASP A 128 -12.051 13.891 -16.668 1.00 10.54 C ATOM 940 OD1 ASP A 128 -12.767 12.893 -16.876 1.00 11.98 O ATOM 941 OD2 ASP A 128 -12.524 14.996 -16.302 1.00 11.52 O ATOM 942 H ASP A 128 -10.240 13.301 -14.196 1.00 0.00 H ATOM 943 N MET A 129 -8.264 11.188 -17.193 1.00 8.50 N ATOM 944 CA MET A 129 -6.891 10.823 -17.561 1.00 8.62 C ATOM 945 C MET A 129 -6.616 11.275 -18.980 1.00 8.48 C ATOM 946 O MET A 129 -7.431 11.077 -19.891 1.00 9.12 O ATOM 947 CB MET A 129 -6.711 9.300 -17.479 1.00 9.37 C ATOM 948 CG MET A 129 -6.846 8.703 -16.114 1.00 10.00 C ATOM 949 SD MET A 129 -5.617 9.208 -14.909 1.00 10.58 S ATOM 950 CE MET A 129 -4.110 8.606 -15.667 1.00 11.02 C ATOM 951 H MET A 129 -9.042 10.598 -17.552 1.00 0.00 H ATOM 952 N PHE A 130 -5.442 11.858 -19.170 1.00 7.91 N ATOM 953 CA PHE A 130 -5.008 12.384 -20.457 1.00 7.93 C ATOM 954 C PHE A 130 -3.851 11.571 -20.996 1.00 8.10 C ATOM 955 O PHE A 130 -3.188 10.817 -20.269 1.00 8.31 O ATOM 956 CB PHE A 130 -4.686 13.878 -20.306 1.00 7.83 C ATOM 957 CG PHE A 130 -5.925 14.696 -20.112 1.00 8.03 C ATOM 958 CD1 PHE A 130 -6.485 14.857 -18.849 1.00 8.13 C ATOM 959 CD2 PHE A 130 -6.606 15.239 -21.201 1.00 8.54 C ATOM 960 CE1 PHE A 130 -7.670 15.539 -18.686 1.00 8.70 C ATOM 961 CE2 PHE A 130 -7.781 15.938 -21.013 1.00 9.11 C ATOM 962 CZ PHE A 130 -8.302 16.090 -19.763 1.00 8.99 C ATOM 963 H PHE A 130 -4.797 11.945 -18.359 1.00 0.00 H ATOM 964 N SER A 131 -3.602 11.715 -22.300 1.00 8.54 N ATOM 965 CA SER A 131 -2.430 11.142 -22.939 1.00 9.29 C ATOM 966 C SER A 131 -1.148 11.759 -22.378 1.00 8.70 C ATOM 967 O SER A 131 -1.117 12.928 -21.998 1.00 8.42 O ATOM 968 CB SER A 131 -2.486 11.344 -24.443 1.00 10.64 C ATOM 969 OG SER A 131 -3.398 10.439 -25.038 1.00 12.34 O ATOM 970 HG SER A 131 -4.302 10.588 -24.662 1.00 0.00 H ATOM 971 H SER A 131 -4.273 12.258 -22.880 1.00 0.00 H ATOM 972 N LYS A 132 -0.104 10.943 -22.346 1.00 8.79 N ATOM 973 CA LYS A 132 1.198 11.370 -21.858 1.00 8.85 C ATOM 974 C LYS A 132 1.729 12.564 -22.648 1.00 8.72 C ATOM 975 O LYS A 132 1.624 12.627 -23.873 1.00 9.15 O ATOM 976 CB LYS A 132 2.182 10.214 -21.974 1.00 9.84 C ATOM 977 CG LYS A 132 3.523 10.424 -21.286 1.00 10.40 C ATOM 978 CD LYS A 132 4.584 9.417 -21.684 1.00 11.95 C ATOM 979 CE LYS A 132 4.183 7.989 -21.514 1.00 12.46 C ATOM 980 NZ LYS A 132 5.314 7.033 -21.698 1.00 12.21 N ATOM 981 HZ1 LYS A 132 5.703 7.138 -22.657 1.00 0.00 H ATOM 982 HZ2 LYS A 132 6.056 7.236 -20.998 1.00 0.00 H ATOM 983 HZ3 LYS A 132 4.969 6.061 -21.567 1.00 0.00 H ATOM 984 H LYS A 132 -0.220 9.965 -22.681 1.00 0.00 H ATOM 985 N ILE A 133 2.315 13.511 -21.917 1.00 8.26 N ATOM 986 CA ILE A 133 2.832 14.759 -22.463 1.00 8.44 C ATOM 987 C ILE A 133 4.177 15.088 -21.819 1.00 8.41 C ATOM 988 O ILE A 133 4.599 14.452 -20.839 1.00 8.91 O ATOM 989 CB ILE A 133 1.885 15.940 -22.177 1.00 8.52 C ATOM 990 CG1 ILE A 133 1.603 16.102 -20.675 1.00 8.48 C ATOM 991 CG2 ILE A 133 0.606 15.781 -22.968 1.00 8.96 C ATOM 992 CD1 ILE A 133 1.059 17.470 -20.310 1.00 8.51 C ATOM 993 H ILE A 133 2.409 13.350 -20.894 1.00 0.00 H ATOM 994 N GLU A 134 4.836 16.112 -22.357 1.00 8.64 N ATOM 995 CA GLU A 134 5.906 16.808 -21.653 1.00 9.01 C ATOM 996 C GLU A 134 5.306 18.032 -20.965 1.00 8.33 C ATOM 997 O GLU A 134 4.353 18.633 -21.451 1.00 8.22 O ATOM 998 CB GLU A 134 6.996 17.209 -22.643 1.00 10.36 C ATOM 999 CG GLU A 134 7.695 15.960 -23.193 1.00 12.45 C ATOM 1000 CD GLU A 134 8.887 16.170 -24.077 1.00 14.84 C ATOM 1001 OE1 GLU A 134 9.106 17.279 -24.557 1.00 17.14 O ATOM 1002 OE2 GLU A 134 9.588 15.164 -24.285 1.00 18.56 O ATOM 1003 H GLU A 134 4.578 16.427 -23.314 1.00 0.00 H ATOM 1004 N VAL A 135 5.883 18.390 -19.826 1.00 8.19 N ATOM 1005 CA VAL A 135 5.461 19.533 -19.048 1.00 8.12 C ATOM 1006 C VAL A 135 6.499 20.646 -18.958 1.00 8.24 C ATOM 1007 O VAL A 135 6.132 21.758 -18.591 1.00 8.23 O ATOM 1008 CB VAL A 135 4.998 19.112 -17.633 1.00 8.24 C ATOM 1009 CG1 VAL A 135 3.826 18.156 -17.712 1.00 8.55 C ATOM 1010 CG2 VAL A 135 6.128 18.540 -16.789 1.00 8.49 C ATOM 1011 H VAL A 135 6.679 17.820 -19.475 1.00 0.00 H ATOM 1012 N ASN A 136 7.765 20.341 -19.280 1.00 8.33 N ATOM 1013 CA ASN A 136 8.823 21.332 -19.358 1.00 8.70 C ATOM 1014 C ASN A 136 9.458 21.301 -20.745 1.00 9.16 C ATOM 1015 O ASN A 136 9.391 20.311 -21.444 1.00 9.73 O ATOM 1016 CB ASN A 136 9.936 21.068 -18.338 1.00 8.97 C ATOM 1017 CG ASN A 136 9.481 21.231 -16.912 1.00 8.79 C ATOM 1018 OD1 ASN A 136 8.692 22.122 -16.579 1.00 8.92 O ATOM 1019 ND2 ASN A 136 10.056 20.411 -16.030 1.00 8.92 N ATOM 1020 HD22 ASN A 136 10.714 19.675 -16.357 1.00 0.00 H ATOM 1021 HD21 ASN A 136 9.846 20.508 -15.016 1.00 0.00 H ATOM 1022 H ASN A 136 7.999 19.348 -19.483 1.00 0.00 H ATOM 1023 N GLY A 137 10.078 22.420 -21.080 1.00 9.78 N ATOM 1024 CA GLY A 137 10.768 22.579 -22.360 1.00 10.63 C ATOM 1025 C GLY A 137 9.853 23.021 -23.482 1.00 10.97 C ATOM 1026 O GLY A 137 8.646 23.229 -23.328 1.00 10.61 O ATOM 1027 H GLY A 137 10.075 23.215 -20.410 1.00 0.00 H ATOM 1028 N ASP A 138 10.458 23.167 -24.654 1.00 12.21 N ATOM 1029 CA ASP A 138 9.771 23.742 -25.809 1.00 13.17 C ATOM 1030 C ASP A 138 8.651 22.870 -26.351 1.00 12.53 C ATOM 1031 O ASP A 138 7.746 23.389 -27.016 1.00 12.75 O ATOM 1032 CB ASP A 138 10.782 24.016 -26.940 1.00 15.47 C ATOM 1033 CG ASP A 138 11.864 25.052 -26.565 1.00 17.72 C ATOM 1034 OD1 ASP A 138 11.696 25.806 -25.588 1.00 20.47 O ATOM 1035 OD2 ASP A 138 12.905 25.126 -27.263 1.00 20.80 O ATOM 1036 H ASP A 138 11.448 22.864 -24.753 1.00 0.00 H ATOM 1037 N ASP A 139 8.700 21.572 -26.086 1.00 12.23 N ATOM 1038 CA ASP A 139 7.648 20.651 -26.534 1.00 12.34 C ATOM 1039 C ASP A 139 6.608 20.366 -25.455 1.00 10.79 C ATOM 1040 O ASP A 139 5.768 19.489 -25.630 1.00 10.82 O ATOM 1041 CB ASP A 139 8.267 19.344 -27.074 1.00 14.33 C ATOM 1042 CG ASP A 139 8.998 19.536 -28.393 1.00 16.57 C ATOM 1043 OD1 ASP A 139 8.970 20.647 -28.960 1.00 19.09 O ATOM 1044 OD2 ASP A 139 9.580 18.542 -28.873 1.00 19.86 O ATOM 1045 H ASP A 139 9.505 21.196 -25.546 1.00 0.00 H ATOM 1046 N ALA A 140 6.629 21.102 -24.348 1.00 9.80 N ATOM 1047 CA ALA A 140 5.602 20.952 -23.325 1.00 9.14 C ATOM 1048 C ALA A 140 4.225 21.278 -23.880 1.00 8.71 C ATOM 1049 O ALA A 140 4.071 22.148 -24.754 1.00 9.12 O ATOM 1050 CB ALA A 140 5.900 21.859 -22.165 1.00 9.12 C ATOM 1051 H ALA A 140 7.391 21.796 -24.210 1.00 0.00 H ATOM 1052 N HIS A 141 3.215 20.592 -23.362 1.00 8.15 N ATOM 1053 CA HIS A 141 1.846 20.892 -23.728 1.00 8.11 C ATOM 1054 C HIS A 141 1.583 22.373 -23.399 1.00 7.93 C ATOM 1055 O HIS A 141 1.964 22.845 -22.328 1.00 7.72 O ATOM 1056 CB HIS A 141 0.885 19.981 -22.956 1.00 8.11 C ATOM 1057 CG HIS A 141 -0.528 20.132 -23.388 1.00 8.14 C ATOM 1058 ND1 HIS A 141 -1.294 21.211 -23.018 1.00 8.47 N ATOM 1059 CD2 HIS A 141 -1.294 19.369 -24.203 1.00 8.56 C ATOM 1060 CE1 HIS A 141 -2.478 21.097 -23.586 1.00 8.45 C ATOM 1061 NE2 HIS A 141 -2.501 20.001 -24.320 1.00 8.72 N ATOM 1062 H HIS A 141 3.409 19.828 -22.684 1.00 0.00 H ATOM 1063 N PRO A 142 0.884 23.105 -24.284 1.00 8.06 N ATOM 1064 CA PRO A 142 0.714 24.541 -24.034 1.00 8.27 C ATOM 1065 C PRO A 142 -0.021 24.920 -22.751 1.00 7.86 C ATOM 1066 O PRO A 142 0.221 26.002 -22.221 1.00 7.90 O ATOM 1067 CB PRO A 142 -0.024 25.049 -25.266 1.00 9.10 C ATOM 1068 CG PRO A 142 -0.228 23.914 -26.149 1.00 9.68 C ATOM 1069 CD PRO A 142 0.369 22.682 -25.606 1.00 8.72 C ATOM 1070 N LEU A 143 -0.940 24.089 -22.288 1.00 7.69 N ATOM 1071 CA LEU A 143 -1.576 24.357 -20.995 1.00 7.57 C ATOM 1072 C LEU A 143 -0.528 24.440 -19.893 1.00 7.40 C ATOM 1073 O LEU A 143 -0.645 25.283 -19.004 1.00 7.43 O ATOM 1074 CB LEU A 143 -2.591 23.284 -20.649 1.00 7.68 C ATOM 1075 CG LEU A 143 -3.210 23.395 -19.247 1.00 7.98 C ATOM 1076 CD1 LEU A 143 -4.031 24.653 -19.076 1.00 8.45 C ATOM 1077 CD2 LEU A 143 -4.049 22.179 -18.945 1.00 8.24 C ATOM 1078 H LEU A 143 -1.210 23.249 -22.839 1.00 0.00 H ATOM 1079 N TRP A 144 0.432 23.523 -19.912 1.00 7.27 N ATOM 1080 CA TRP A 144 1.496 23.522 -18.896 1.00 7.60 C ATOM 1081 C TRP A 144 2.425 24.720 -19.049 1.00 7.81 C ATOM 1082 O TRP A 144 2.807 25.340 -18.042 1.00 8.62 O ATOM 1083 CB TRP A 144 2.203 22.161 -18.936 1.00 7.45 C ATOM 1084 CG TRP A 144 1.344 21.103 -18.303 1.00 7.45 C ATOM 1085 CD1 TRP A 144 0.261 20.471 -18.836 1.00 7.48 C ATOM 1086 CD2 TRP A 144 1.423 20.675 -16.945 1.00 7.23 C ATOM 1087 NE1 TRP A 144 -0.315 19.653 -17.894 1.00 7.75 N ATOM 1088 CE2 TRP A 144 0.390 19.755 -16.723 1.00 7.33 C ATOM 1089 CE3 TRP A 144 2.297 20.970 -15.902 1.00 7.40 C ATOM 1090 CZ2 TRP A 144 0.212 19.119 -15.487 1.00 7.44 C ATOM 1091 CZ3 TRP A 144 2.121 20.344 -14.665 1.00 7.60 C ATOM 1092 CH2 TRP A 144 1.077 19.444 -14.478 1.00 7.51 C ATOM 1093 HE1 TRP A 144 -1.151 19.053 -18.045 1.00 0.00 H ATOM 1094 H TRP A 144 0.432 22.796 -20.655 1.00 0.00 H ATOM 1095 N LYS A 145 2.759 25.092 -20.287 1.00 7.74 N ATOM 1096 CA LYS A 145 3.515 26.327 -20.499 1.00 8.08 C ATOM 1097 C LYS A 145 2.788 27.498 -19.851 1.00 8.00 C ATOM 1098 O LYS A 145 3.373 28.346 -19.189 1.00 8.42 O ATOM 1099 CB LYS A 145 3.716 26.590 -21.984 1.00 8.40 C ATOM 1100 CG LYS A 145 4.549 25.542 -22.702 1.00 8.85 C ATOM 1101 CD LYS A 145 4.892 25.995 -24.106 1.00 9.60 C ATOM 1102 CE LYS A 145 5.844 25.024 -24.807 1.00 10.07 C ATOM 1103 NZ LYS A 145 6.157 25.526 -26.170 1.00 10.85 N ATOM 1104 HZ1 LYS A 145 5.278 25.605 -26.720 1.00 0.00 H ATOM 1105 HZ2 LYS A 145 6.608 26.461 -26.099 1.00 0.00 H ATOM 1106 HZ3 LYS A 145 6.804 24.863 -26.642 1.00 0.00 H ATOM 1107 H LYS A 145 2.482 24.505 -21.100 1.00 0.00 H ATOM 1108 N TRP A 146 1.477 27.555 -20.070 1.00 7.76 N ATOM 1109 CA TRP A 146 0.655 28.658 -19.574 1.00 8.09 C ATOM 1110 C TRP A 146 0.523 28.647 -18.054 1.00 7.87 C ATOM 1111 O TRP A 146 0.662 29.688 -17.413 1.00 8.15 O ATOM 1112 CB TRP A 146 -0.723 28.603 -20.244 1.00 8.31 C ATOM 1113 CG TRP A 146 -1.691 29.617 -19.795 1.00 8.68 C ATOM 1114 CD1 TRP A 146 -1.820 30.891 -20.265 1.00 9.02 C ATOM 1115 CD2 TRP A 146 -2.696 29.461 -18.795 1.00 8.83 C ATOM 1116 NE1 TRP A 146 -2.846 31.528 -19.622 1.00 9.29 N ATOM 1117 CE2 TRP A 146 -3.402 30.668 -18.724 1.00 9.21 C ATOM 1118 CE3 TRP A 146 -3.084 28.405 -17.974 1.00 8.93 C ATOM 1119 CZ2 TRP A 146 -4.455 30.863 -17.831 1.00 9.65 C ATOM 1120 CZ3 TRP A 146 -4.159 28.599 -17.114 1.00 9.46 C ATOM 1121 CH2 TRP A 146 -4.808 29.818 -17.039 1.00 9.86 C ATOM 1122 HE1 TRP A 146 -3.151 32.508 -19.791 1.00 0.00 H ATOM 1123 H TRP A 146 1.023 26.792 -20.611 1.00 0.00 H ATOM 1124 N MET A 147 0.242 27.484 -17.467 1.00 7.69 N ATOM 1125 CA MET A 147 0.017 27.455 -16.020 1.00 8.04 C ATOM 1126 C MET A 147 1.227 27.953 -15.266 1.00 8.45 C ATOM 1127 O MET A 147 1.102 28.672 -14.271 1.00 8.89 O ATOM 1128 CB MET A 147 -0.338 26.050 -15.513 1.00 7.86 C ATOM 1129 CG MET A 147 -1.719 25.552 -15.924 1.00 7.86 C ATOM 1130 SD MET A 147 -2.207 24.003 -15.160 1.00 8.45 S ATOM 1131 CE MET A 147 -0.891 22.917 -15.710 1.00 8.49 C ATOM 1132 H MET A 147 0.183 26.610 -18.028 1.00 0.00 H ATOM 1133 N LYS A 148 2.415 27.575 -15.754 1.00 8.81 N ATOM 1134 CA LYS A 148 3.681 27.910 -15.104 1.00 9.66 C ATOM 1135 C LYS A 148 3.986 29.389 -15.050 1.00 10.50 C ATOM 1136 O LYS A 148 4.789 29.801 -14.208 1.00 11.54 O ATOM 1137 CB LYS A 148 4.827 27.184 -15.814 1.00 9.94 C ATOM 1138 CG LYS A 148 4.877 25.701 -15.529 1.00 10.09 C ATOM 1139 CD LYS A 148 6.132 25.048 -16.104 1.00 10.41 C ATOM 1140 CE LYS A 148 6.129 24.960 -17.613 1.00 10.62 C ATOM 1141 NZ LYS A 148 7.421 24.393 -18.094 1.00 10.70 N ATOM 1142 HZ1 LYS A 148 8.203 25.007 -17.788 1.00 0.00 H ATOM 1143 HZ2 LYS A 148 7.550 23.441 -17.696 1.00 0.00 H ATOM 1144 HZ3 LYS A 148 7.408 24.337 -19.132 1.00 0.00 H ATOM 1145 H LYS A 148 2.438 27.019 -16.633 1.00 0.00 H ATOM 1146 N ILE A 149 3.409 30.192 -15.932 1.00 10.68 N ATOM 1147 CA ILE A 149 3.652 31.636 -15.916 1.00 11.63 C ATOM 1148 C ILE A 149 2.499 32.427 -15.296 1.00 11.07 C ATOM 1149 O ILE A 149 2.555 33.675 -15.286 1.00 11.62 O ATOM 1150 CB ILE A 149 3.965 32.204 -17.328 1.00 12.74 C ATOM 1151 CG1 ILE A 149 2.767 32.119 -18.277 1.00 13.15 C ATOM 1152 CG2 ILE A 149 5.174 31.509 -17.928 1.00 13.19 C ATOM 1153 CD1 ILE A 149 2.838 33.033 -19.488 1.00 13.75 C ATOM 1154 H ILE A 149 2.772 29.789 -16.649 1.00 0.00 H ATOM 1155 N GLN A 150 1.459 31.760 -14.784 1.00 10.42 N ATOM 1156 CA GLN A 150 0.364 32.506 -14.154 1.00 10.80 C ATOM 1157 C GLN A 150 0.808 33.064 -12.821 1.00 11.52 C ATOM 1158 O GLN A 150 1.650 32.477 -12.162 1.00 11.70 O ATOM 1159 CB GLN A 150 -0.842 31.594 -13.977 1.00 10.36 C ATOM 1160 CG GLN A 150 -1.391 31.075 -15.293 1.00 10.27 C ATOM 1161 CD GLN A 150 -1.619 32.205 -16.252 1.00 10.59 C ATOM 1162 OE1 GLN A 150 -2.462 33.063 -15.979 1.00 11.48 O ATOM 1163 NE2 GLN A 150 -0.867 32.255 -17.338 1.00 10.67 N ATOM 1164 HE22 GLN A 150 -0.170 31.506 -17.523 1.00 0.00 H ATOM 1165 HE21 GLN A 150 -0.973 33.044 -18.008 1.00 0.00 H ATOM 1166 H GLN A 150 1.427 30.722 -14.832 1.00 0.00 H ATOM 1167 N PRO A 151 0.225 34.186 -12.389 1.00 12.51 N ATOM 1168 CA PRO A 151 0.628 34.774 -11.116 1.00 13.46 C ATOM 1169 C PRO A 151 0.657 33.810 -9.929 1.00 13.89 C ATOM 1170 O PRO A 151 1.573 33.872 -9.119 1.00 15.34 O ATOM 1171 CB PRO A 151 -0.426 35.865 -10.896 1.00 13.97 C ATOM 1172 CG PRO A 151 -0.792 36.295 -12.265 1.00 13.70 C ATOM 1173 CD PRO A 151 -0.722 35.066 -13.107 1.00 12.88 C ATOM 1174 N LYS A 152 -0.325 32.912 -9.834 1.00 13.69 N ATOM 1175 CA LYS A 152 -0.358 31.903 -8.746 1.00 14.16 C ATOM 1176 C LYS A 152 0.173 30.548 -9.191 1.00 13.61 C ATOM 1177 O LYS A 152 0.151 29.583 -8.418 1.00 14.15 O ATOM 1178 CB LYS A 152 -1.776 31.747 -8.204 1.00 14.83 C ATOM 1179 CG LYS A 152 -2.383 33.049 -7.690 1.00 16.41 C ATOM 1180 CD LYS A 152 -1.564 33.683 -6.572 1.00 18.36 C ATOM 1181 CE LYS A 152 -2.239 34.913 -5.996 1.00 20.26 C ATOM 1182 NZ LYS A 152 -1.531 35.433 -4.799 1.00 21.87 N ATOM 1183 HZ1 LYS A 152 -1.513 34.699 -4.062 1.00 0.00 H ATOM 1184 HZ2 LYS A 152 -0.557 35.690 -5.058 1.00 0.00 H ATOM 1185 HZ3 LYS A 152 -2.029 36.273 -4.441 1.00 0.00 H ATOM 1186 H LYS A 152 -1.088 32.919 -10.541 1.00 0.00 H ATOM 1187 N GLY A 153 0.641 30.439 -10.439 1.00 13.45 N ATOM 1188 CA GLY A 153 1.257 29.205 -10.952 1.00 13.64 C ATOM 1189 C GLY A 153 2.769 29.214 -11.007 1.00 14.86 C ATOM 1190 O GLY A 153 3.399 28.167 -11.183 1.00 14.32 O ATOM 1191 H GLY A 153 0.567 31.260 -11.073 1.00 0.00 H ATOM 1192 N LYS A 154 3.353 30.409 -10.897 1.00 17.63 N ATOM 1193 CA LYS A 154 4.795 30.556 -10.880 1.00 20.70 C ATOM 1194 C LYS A 154 5.274 29.934 -9.586 1.00 22.34 C ATOM 1195 O LYS A 154 4.614 30.039 -8.551 1.00 24.39 O ATOM 1196 CB LYS A 154 5.203 32.031 -10.971 1.00 22.59 C ATOM 1197 CG LYS A 154 5.069 32.634 -12.359 1.00 23.64 C ATOM 1198 CD LYS A 154 5.512 34.101 -12.374 1.00 25.41 C ATOM 1199 CE LYS A 154 6.508 34.387 -13.491 1.00 26.41 C ATOM 1200 NZ LYS A 154 6.668 35.831 -13.822 1.00 27.51 N ATOM 1201 HZ1 LYS A 154 5.752 36.219 -14.126 1.00 0.00 H ATOM 1202 HZ2 LYS A 154 7.001 36.343 -12.981 1.00 0.00 H ATOM 1203 HZ3 LYS A 154 7.362 35.935 -14.590 1.00 0.00 H ATOM 1204 H LYS A 154 2.757 31.258 -10.821 1.00 0.00 H ATOM 1205 N GLY A 155 6.424 29.282 -9.633 1.00 24.73 N ATOM 1206 CA GLY A 155 6.908 28.584 -8.456 1.00 27.00 C ATOM 1207 C GLY A 155 7.474 29.579 -7.465 1.00 29.51 C ATOM 1208 O GLY A 155 8.027 30.615 -7.849 1.00 31.38 O ATOM 1209 H GLY A 155 6.980 29.270 -10.512 1.00 0.00 H ATOM 1210 N ILE A 156 7.318 29.261 -6.183 1.00 31.22 N ATOM 1211 CA ILE A 156 8.017 29.963 -5.103 1.00 32.37 C ATOM 1212 C ILE A 156 9.515 29.856 -5.383 1.00 32.14 C ATOM 1213 O ILE A 156 10.286 30.806 -5.183 1.00 34.36 O ATOM 1214 CB ILE A 156 7.668 29.345 -3.712 1.00 33.57 C ATOM 1215 CG1 ILE A 156 6.333 29.906 -3.184 1.00 34.00 C ATOM 1216 CG2 ILE A 156 8.756 29.602 -2.670 1.00 34.70 C ATOM 1217 CD1 ILE A 156 5.109 29.099 -3.555 1.00 33.59 C ATOM 1218 H ILE A 156 6.674 28.483 -5.937 1.00 0.00 H ATOM 1219 N LEU A 157 9.886 28.667 -5.849 1.00 30.14 N ATOM 1220 CA LEU A 157 11.232 28.302 -6.202 1.00 28.31 C ATOM 1221 C LEU A 157 11.346 28.032 -7.706 1.00 25.60 C ATOM 1222 O LEU A 157 11.874 26.996 -8.112 1.00 24.50 O ATOM 1223 CB LEU A 157 11.607 27.055 -5.391 1.00 29.50 C ATOM 1224 CG LEU A 157 11.467 27.167 -3.868 1.00 30.29 C ATOM 1225 CD1 LEU A 157 11.994 25.901 -3.217 1.00 30.62 C ATOM 1226 CD2 LEU A 157 12.197 28.383 -3.315 1.00 31.34 C ATOM 1227 H LEU A 157 9.146 27.946 -5.967 1.00 0.00 H ATOM 1228 N GLY A 158 10.876 28.980 -8.525 1.00 23.45 N ATOM 1229 CA GLY A 158 11.026 28.931 -9.989 1.00 21.32 C ATOM 1230 C GLY A 158 9.899 28.191 -10.660 1.00 18.96 C ATOM 1231 O GLY A 158 9.239 27.365 -10.041 1.00 19.63 O ATOM 1232 H GLY A 158 10.380 29.792 -8.106 1.00 0.00 H ATOM 1233 N ASN A 159 9.674 28.470 -11.941 1.00 16.13 N ATOM 1234 CA ASN A 159 8.455 27.993 -12.590 1.00 13.91 C ATOM 1235 C ASN A 159 8.483 26.554 -13.080 1.00 11.55 C ATOM 1236 O ASN A 159 7.431 25.946 -13.210 1.00 10.18 O ATOM 1237 CB ASN A 159 8.107 28.899 -13.766 1.00 15.35 C ATOM 1238 CG ASN A 159 7.866 30.325 -13.360 1.00 17.40 C ATOM 1239 OD1 ASN A 159 7.708 30.642 -12.186 1.00 18.80 O ATOM 1240 ND2 ASN A 159 7.778 31.186 -14.350 1.00 18.87 N ATOM 1241 HD22 ASN A 159 7.920 30.868 -15.330 1.00 0.00 H ATOM 1242 HD21 ASN A 159 7.566 32.185 -14.153 1.00 0.00 H ATOM 1243 H ASN A 159 10.366 29.028 -12.481 1.00 0.00 H ATOM 1244 N ALA A 160 9.655 26.001 -13.370 1.00 10.84 N ATOM 1245 CA ALA A 160 9.715 24.685 -13.992 1.00 10.01 C ATOM 1246 C ALA A 160 9.040 23.659 -13.095 1.00 9.07 C ATOM 1247 O ALA A 160 9.112 23.751 -11.867 1.00 9.26 O ATOM 1248 CB ALA A 160 11.157 24.279 -14.266 1.00 10.52 C ATOM 1249 H ALA A 160 10.535 26.510 -13.152 1.00 0.00 H ATOM 1250 N ILE A 161 8.402 22.674 -13.696 1.00 8.29 N ATOM 1251 CA ILE A 161 7.861 21.570 -12.919 1.00 8.10 C ATOM 1252 C ILE A 161 9.039 20.760 -12.392 1.00 8.24 C ATOM 1253 O ILE A 161 9.901 20.333 -13.182 1.00 8.57 O ATOM 1254 CB ILE A 161 6.929 20.691 -13.782 1.00 8.00 C ATOM 1255 CG1 ILE A 161 5.814 21.515 -14.473 1.00 7.93 C ATOM 1256 CG2 ILE A 161 6.357 19.559 -12.941 1.00 7.90 C ATOM 1257 CD1 ILE A 161 5.030 22.441 -13.554 1.00 8.12 C ATOM 1258 H ILE A 161 8.285 22.687 -14.729 1.00 0.00 H ATOM 1259 N LYS A 162 9.090 20.542 -11.080 1.00 8.35 N ATOM 1260 CA LYS A 162 10.302 19.961 -10.482 1.00 8.91 C ATOM 1261 C LYS A 162 10.332 18.458 -10.458 1.00 8.71 C ATOM 1262 O LYS A 162 11.412 17.866 -10.484 1.00 9.18 O ATOM 1263 CB LYS A 162 10.501 20.504 -9.073 1.00 9.67 C ATOM 1264 CG LYS A 162 10.660 22.005 -8.997 1.00 10.38 C ATOM 1265 CD LYS A 162 11.729 22.561 -9.946 1.00 11.11 C ATOM 1266 CE LYS A 162 12.014 24.013 -9.664 1.00 11.92 C ATOM 1267 NZ LYS A 162 10.853 24.896 -9.862 1.00 11.83 N ATOM 1268 HZ1 LYS A 162 10.533 24.830 -10.849 1.00 0.00 H ATOM 1269 HZ2 LYS A 162 10.084 24.603 -9.227 1.00 0.00 H ATOM 1270 HZ3 LYS A 162 11.125 25.877 -9.649 1.00 0.00 H ATOM 1271 H LYS A 162 8.275 20.782 -10.479 1.00 0.00 H ATOM 1272 N TRP A 163 9.156 17.822 -10.390 1.00 8.46 N ATOM 1273 CA TRP A 163 9.088 16.372 -10.319 1.00 8.72 C ATOM 1274 C TRP A 163 7.643 15.972 -10.628 1.00 8.29 C ATOM 1275 O TRP A 163 6.775 16.819 -10.879 1.00 8.19 O ATOM 1276 CB TRP A 163 9.560 15.826 -8.945 1.00 9.37 C ATOM 1277 CG TRP A 163 10.063 14.418 -9.021 1.00 9.84 C ATOM 1278 CD1 TRP A 163 9.479 13.296 -8.486 1.00 10.27 C ATOM 1279 CD2 TRP A 163 11.245 13.966 -9.694 1.00 10.15 C ATOM 1280 NE1 TRP A 163 10.222 12.182 -8.794 1.00 10.68 N ATOM 1281 CE2 TRP A 163 11.310 12.565 -9.531 1.00 10.58 C ATOM 1282 CE3 TRP A 163 12.264 14.604 -10.408 1.00 10.29 C ATOM 1283 CZ2 TRP A 163 12.339 11.796 -10.084 1.00 10.97 C ATOM 1284 CZ3 TRP A 163 13.285 13.842 -10.949 1.00 10.65 C ATOM 1285 CH2 TRP A 163 13.309 12.449 -10.788 1.00 10.83 C ATOM 1286 HE1 TRP A 163 9.995 11.207 -8.513 1.00 0.00 H ATOM 1287 H TRP A 163 8.275 18.375 -10.388 1.00 0.00 H ATOM 1288 N ASN A 164 7.389 14.674 -10.603 1.00 8.34 N ATOM 1289 CA ASN A 164 6.046 14.159 -10.726 1.00 8.29 C ATOM 1290 C ASN A 164 5.155 14.684 -9.601 1.00 8.20 C ATOM 1291 O ASN A 164 5.611 14.999 -8.511 1.00 8.64 O ATOM 1292 CB ASN A 164 6.034 12.637 -10.682 1.00 8.75 C ATOM 1293 CG ASN A 164 7.028 12.030 -11.647 1.00 9.09 C ATOM 1294 OD1 ASN A 164 6.938 12.224 -12.846 1.00 8.81 O ATOM 1295 ND2 ASN A 164 8.010 11.335 -11.116 1.00 9.75 N ATOM 1296 HD22 ASN A 164 8.049 11.193 -10.086 1.00 0.00 H ATOM 1297 HD21 ASN A 164 8.747 10.927 -11.726 1.00 0.00 H ATOM 1298 H ASN A 164 8.178 14.006 -10.492 1.00 0.00 H ATOM 1299 N PHE A 165 3.875 14.796 -9.913 1.00 7.96 N ATOM 1300 CA PHE A 165 2.828 15.135 -8.936 1.00 8.20 C ATOM 1301 C PHE A 165 2.930 16.564 -8.442 1.00 7.99 C ATOM 1302 O PHE A 165 2.675 16.847 -7.265 1.00 8.84 O ATOM 1303 CB PHE A 165 2.726 14.107 -7.797 1.00 8.80 C ATOM 1304 CG PHE A 165 2.397 12.718 -8.294 1.00 9.10 C ATOM 1305 CD1 PHE A 165 1.153 12.429 -8.792 1.00 8.96 C ATOM 1306 CD2 PHE A 165 3.350 11.723 -8.312 1.00 9.55 C ATOM 1307 CE1 PHE A 165 0.841 11.155 -9.244 1.00 9.30 C ATOM 1308 CE2 PHE A 165 3.041 10.458 -8.770 1.00 9.85 C ATOM 1309 CZ PHE A 165 1.797 10.173 -9.242 1.00 9.70 C ATOM 1310 H PHE A 165 3.593 14.636 -10.901 1.00 0.00 H ATOM 1311 N THR A 166 3.266 17.490 -9.336 1.00 7.78 N ATOM 1312 CA THR A 166 2.929 18.880 -9.083 1.00 7.89 C ATOM 1313 C THR A 166 1.430 19.049 -9.305 1.00 7.66 C ATOM 1314 O THR A 166 0.860 18.363 -10.157 1.00 7.95 O ATOM 1315 CB THR A 166 3.777 19.790 -9.980 1.00 8.02 C ATOM 1316 OG1 THR A 166 5.149 19.524 -9.701 1.00 8.62 O ATOM 1317 CG2 THR A 166 3.502 21.233 -9.732 1.00 8.16 C ATOM 1318 HG1 THR A 166 5.718 20.101 -10.270 1.00 0.00 H ATOM 1319 H THR A 166 3.765 17.221 -10.208 1.00 0.00 H ATOM 1320 N LYS A 167 0.784 19.930 -8.536 1.00 7.93 N ATOM 1321 CA LYS A 167 -0.656 20.141 -8.640 1.00 8.20 C ATOM 1322 C LYS A 167 -0.937 21.612 -8.797 1.00 8.28 C ATOM 1323 O LYS A 167 -0.375 22.452 -8.058 1.00 9.01 O ATOM 1324 CB LYS A 167 -1.389 19.624 -7.408 1.00 9.04 C ATOM 1325 CG LYS A 167 -1.165 18.162 -7.072 1.00 9.83 C ATOM 1326 CD LYS A 167 -0.107 17.971 -5.985 1.00 10.77 C ATOM 1327 CE LYS A 167 0.021 16.496 -5.644 1.00 11.30 C ATOM 1328 NZ LYS A 167 1.309 16.190 -5.001 1.00 11.45 N ATOM 1329 HZ1 LYS A 167 2.085 16.444 -5.645 1.00 0.00 H ATOM 1330 HZ2 LYS A 167 1.394 16.737 -4.120 1.00 0.00 H ATOM 1331 HZ3 LYS A 167 1.355 15.174 -4.785 1.00 0.00 H ATOM 1332 H LYS A 167 1.325 20.483 -7.841 1.00 0.00 H ATOM 1333 N PHE A 168 -1.826 21.954 -9.720 1.00 7.93 N ATOM 1334 CA PHE A 168 -2.354 23.305 -9.853 1.00 8.00 C ATOM 1335 C PHE A 168 -3.837 23.296 -9.529 1.00 7.94 C ATOM 1336 O PHE A 168 -4.596 22.481 -10.065 1.00 8.57 O ATOM 1337 CB PHE A 168 -2.161 23.829 -11.272 1.00 7.98 C ATOM 1338 CG PHE A 168 -0.726 24.056 -11.647 1.00 8.25 C ATOM 1339 CD1 PHE A 168 0.045 23.018 -12.130 1.00 8.43 C ATOM 1340 CD2 PHE A 168 -0.135 25.310 -11.512 1.00 8.60 C ATOM 1341 CE1 PHE A 168 1.381 23.253 -12.479 1.00 8.88 C ATOM 1342 CE2 PHE A 168 1.189 25.536 -11.858 1.00 8.92 C ATOM 1343 CZ PHE A 168 1.934 24.501 -12.349 1.00 9.12 C ATOM 1344 H PHE A 168 -2.162 21.223 -10.380 1.00 0.00 H ATOM 1345 N LEU A 169 -4.264 24.189 -8.654 1.00 8.02 N ATOM 1346 CA LEU A 169 -5.684 24.383 -8.380 1.00 8.18 C ATOM 1347 C LEU A 169 -6.170 25.518 -9.266 1.00 8.19 C ATOM 1348 O LEU A 169 -5.552 26.594 -9.303 1.00 8.35 O ATOM 1349 CB LEU A 169 -5.903 24.685 -6.902 1.00 8.78 C ATOM 1350 CG LEU A 169 -7.353 24.857 -6.439 1.00 9.31 C ATOM 1351 CD1 LEU A 169 -8.170 23.601 -6.669 1.00 9.39 C ATOM 1352 CD2 LEU A 169 -7.415 25.246 -4.978 1.00 10.02 C ATOM 1353 H LEU A 169 -3.568 24.771 -8.146 1.00 0.00 H ATOM 1354 N ILE A 170 -7.277 25.248 -9.953 1.00 8.30 N ATOM 1355 CA ILE A 170 -7.860 26.120 -10.976 1.00 8.68 C ATOM 1356 C ILE A 170 -9.273 26.440 -10.556 1.00 8.51 C ATOM 1357 O ILE A 170 -10.042 25.534 -10.227 1.00 8.64 O ATOM 1358 CB ILE A 170 -7.897 25.407 -12.357 1.00 9.47 C ATOM 1359 CG1 ILE A 170 -6.631 24.664 -12.696 1.00 10.84 C ATOM 1360 CG2 ILE A 170 -8.384 26.362 -13.425 1.00 9.55 C ATOM 1361 CD1 ILE A 170 -5.548 25.615 -12.820 1.00 11.35 C ATOM 1362 H ILE A 170 -7.764 24.352 -9.749 1.00 0.00 H ATOM 1363 N ASP A 171 -9.641 27.724 -10.564 1.00 8.74 N ATOM 1364 CA ASP A 171 -10.985 28.097 -10.160 1.00 9.28 C ATOM 1365 C ASP A 171 -12.005 27.831 -11.267 1.00 8.98 C ATOM 1366 O ASP A 171 -11.683 27.343 -12.349 1.00 8.73 O ATOM 1367 CB ASP A 171 -11.010 29.531 -9.609 1.00 10.01 C ATOM 1368 CG ASP A 171 -10.922 30.611 -10.665 1.00 10.46 C ATOM 1369 OD1 ASP A 171 -11.062 30.351 -11.867 1.00 10.47 O ATOM 1370 OD2 ASP A 171 -10.749 31.777 -10.231 1.00 12.02 O ATOM 1371 H ASP A 171 -8.965 28.457 -10.860 1.00 0.00 H ATOM 1372 N LYS A 172 -13.262 28.146 -10.986 1.00 9.50 N ATOM 1373 CA LYS A 172 -14.344 27.814 -11.925 1.00 10.19 C ATOM 1374 C LYS A 172 -14.254 28.581 -13.239 1.00 9.75 C ATOM 1375 O LYS A 172 -14.874 28.178 -14.225 1.00 9.77 O ATOM 1376 CB LYS A 172 -15.693 28.107 -11.286 1.00 11.97 C ATOM 1377 CG LYS A 172 -15.985 27.282 -10.059 1.00 13.78 C ATOM 1378 CD LYS A 172 -17.395 27.460 -9.577 1.00 15.78 C ATOM 1379 CE LYS A 172 -17.538 28.749 -8.829 1.00 17.37 C ATOM 1380 NZ LYS A 172 -18.937 28.868 -8.437 1.00 19.32 N ATOM 1381 HZ1 LYS A 172 -19.535 28.870 -9.288 1.00 0.00 H ATOM 1382 HZ2 LYS A 172 -19.196 28.063 -7.832 1.00 0.00 H ATOM 1383 HZ3 LYS A 172 -19.075 29.756 -7.913 1.00 0.00 H ATOM 1384 H LYS A 172 -13.485 28.632 -10.094 1.00 0.00 H ATOM 1385 N ASN A 173 -13.528 29.691 -13.241 1.00 9.63 N ATOM 1386 CA ASN A 173 -13.283 30.484 -14.445 1.00 10.08 C ATOM 1387 C ASN A 173 -12.040 30.055 -15.199 1.00 9.53 C ATOM 1388 O ASN A 173 -11.706 30.642 -16.241 1.00 9.99 O ATOM 1389 CB ASN A 173 -13.167 31.960 -14.073 1.00 11.02 C ATOM 1390 CG ASN A 173 -14.415 32.476 -13.400 1.00 12.06 C ATOM 1391 OD1 ASN A 173 -15.525 32.104 -13.764 1.00 13.19 O ATOM 1392 ND2 ASN A 173 -14.235 33.325 -12.422 1.00 12.87 N ATOM 1393 HD22 ASN A 173 -13.272 33.609 -12.151 1.00 0.00 H ATOM 1394 HD21 ASN A 173 -15.055 33.716 -11.915 1.00 0.00 H ATOM 1395 H ASN A 173 -13.113 30.013 -12.343 1.00 0.00 H ATOM 1396 N GLY A 174 -11.359 29.032 -14.716 1.00 9.05 N ATOM 1397 CA GLY A 174 -10.174 28.546 -15.375 1.00 8.90 C ATOM 1398 C GLY A 174 -8.905 29.299 -15.024 1.00 8.82 C ATOM 1399 O GLY A 174 -7.903 29.147 -15.729 1.00 9.13 O ATOM 1400 H GLY A 174 -11.684 28.569 -13.844 1.00 0.00 H ATOM 1401 N VAL A 175 -8.920 30.059 -13.936 1.00 9.08 N ATOM 1402 CA VAL A 175 -7.761 30.828 -13.484 1.00 9.37 C ATOM 1403 C VAL A 175 -6.965 30.026 -12.450 1.00 9.03 C ATOM 1404 O VAL A 175 -7.551 29.416 -11.543 1.00 9.19 O ATOM 1405 CB VAL A 175 -8.263 32.154 -12.898 1.00 10.35 C ATOM 1406 CG1 VAL A 175 -7.144 32.972 -12.257 1.00 10.81 C ATOM 1407 CG2 VAL A 175 -8.949 32.970 -13.982 1.00 11.08 C ATOM 1408 H VAL A 175 -9.797 30.110 -13.379 1.00 0.00 H ATOM 1409 N VAL A 176 -5.633 30.000 -12.589 1.00 8.95 N ATOM 1410 CA VAL A 176 -4.810 29.314 -11.597 1.00 8.95 C ATOM 1411 C VAL A 176 -4.862 30.089 -10.292 1.00 9.09 C ATOM 1412 O VAL A 176 -4.595 31.296 -10.270 1.00 9.74 O ATOM 1413 CB VAL A 176 -3.353 29.189 -12.058 1.00 9.23 C ATOM 1414 CG1 VAL A 176 -2.513 28.551 -10.958 1.00 9.38 C ATOM 1415 CG2 VAL A 176 -3.256 28.369 -13.334 1.00 9.26 C ATOM 1416 H VAL A 176 -5.185 30.468 -13.403 1.00 0.00 H ATOM 1417 N VAL A 177 -5.197 29.395 -9.212 1.00 9.04 N ATOM 1418 CA VAL A 177 -5.253 30.021 -7.896 1.00 9.64 C ATOM 1419 C VAL A 177 -4.209 29.533 -6.923 1.00 9.72 C ATOM 1420 O VAL A 177 -3.905 30.261 -5.974 1.00 10.35 O ATOM 1421 CB VAL A 177 -6.680 29.976 -7.293 1.00 10.14 C ATOM 1422 CG1 VAL A 177 -7.616 30.799 -8.164 1.00 10.56 C ATOM 1423 CG2 VAL A 177 -7.190 28.558 -7.131 1.00 10.10 C ATOM 1424 H VAL A 177 -5.424 28.384 -9.306 1.00 0.00 H ATOM 1425 N LYS A 178 -3.631 28.343 -7.127 1.00 9.55 N ATOM 1426 CA LYS A 178 -2.579 27.884 -6.244 1.00 10.05 C ATOM 1427 C LYS A 178 -1.809 26.766 -6.906 1.00 9.35 C ATOM 1428 O LYS A 178 -2.349 26.052 -7.753 1.00 9.29 O ATOM 1429 CB LYS A 178 -3.165 27.418 -4.900 1.00 11.04 C ATOM 1430 CG LYS A 178 -2.109 27.312 -3.804 1.00 12.21 C ATOM 1431 CD LYS A 178 -2.731 27.330 -2.419 1.00 13.62 C ATOM 1432 CE LYS A 178 -1.771 26.906 -1.326 1.00 14.78 C ATOM 1433 NZ LYS A 178 -2.403 27.051 0.007 1.00 15.91 N ATOM 1434 HZ1 LYS A 178 -2.668 28.045 0.157 1.00 0.00 H ATOM 1435 HZ2 LYS A 178 -3.253 26.453 0.053 1.00 0.00 H ATOM 1436 HZ3 LYS A 178 -1.730 26.756 0.743 1.00 0.00 H ATOM 1437 H LYS A 178 -3.938 27.747 -7.922 1.00 0.00 H ATOM 1438 N ARG A 179 -0.545 26.610 -6.498 1.00 9.25 N ATOM 1439 CA ARG A 179 0.339 25.541 -6.949 1.00 9.07 C ATOM 1440 C ARG A 179 0.879 24.815 -5.736 1.00 9.21 C ATOM 1441 O ARG A 179 1.239 25.460 -4.743 1.00 10.39 O ATOM 1442 CB ARG A 179 1.477 26.120 -7.782 1.00 9.39 C ATOM 1443 CG ARG A 179 2.501 25.099 -8.226 1.00 9.46 C ATOM 1444 CD ARG A 179 3.537 25.764 -9.093 1.00 9.77 C ATOM 1445 NE ARG A 179 4.668 24.901 -9.389 1.00 9.82 N ATOM 1446 CZ ARG A 179 5.520 25.104 -10.391 1.00 9.70 C ATOM 1447 NH1 ARG A 179 5.370 26.094 -11.257 1.00 9.81 N ATOM 1448 NH2 ARG A 179 6.527 24.268 -10.544 1.00 9.99 N ATOM 1449 HE ARG A 179 4.821 24.072 -8.779 1.00 0.00 H ATOM 1450 HH12 ARG A 179 6.058 26.220 -12.027 1.00 0.00 H ATOM 1451 HH11 ARG A 179 4.565 26.746 -11.167 1.00 0.00 H ATOM 1452 HH22 ARG A 179 7.205 24.407 -11.320 1.00 0.00 H ATOM 1453 HH21 ARG A 179 6.644 23.469 -9.889 1.00 0.00 H ATOM 1454 H ARG A 179 -0.167 27.296 -5.814 1.00 0.00 H ATOM 1455 N TYR A 180 0.917 23.494 -5.824 1.00 8.99 N ATOM 1456 CA TYR A 180 1.372 22.622 -4.738 1.00 9.63 C ATOM 1457 C TYR A 180 2.453 21.721 -5.323 1.00 9.67 C ATOM 1458 O TYR A 180 2.274 21.121 -6.383 1.00 9.74 O ATOM 1459 CB TYR A 180 0.246 21.743 -4.216 1.00 9.78 C ATOM 1460 CG TYR A 180 -0.999 22.479 -3.796 1.00 10.19 C ATOM 1461 CD1 TYR A 180 -1.928 22.887 -4.736 1.00 10.13 C ATOM 1462 CD2 TYR A 180 -1.267 22.761 -2.462 1.00 10.86 C ATOM 1463 CE1 TYR A 180 -3.083 23.546 -4.373 1.00 10.70 C ATOM 1464 CE2 TYR A 180 -2.440 23.427 -2.090 1.00 11.34 C ATOM 1465 CZ TYR A 180 -3.339 23.805 -3.059 1.00 11.28 C ATOM 1466 OH TYR A 180 -4.525 24.442 -2.753 1.00 12.56 O ATOM 1467 HH TYR A 180 -4.330 25.294 -2.289 1.00 0.00 H ATOM 1468 H TYR A 180 0.607 23.051 -6.713 1.00 0.00 H ATOM 1469 N GLY A 181 3.604 21.617 -4.661 1.00 10.59 N ATOM 1470 CA GLY A 181 4.714 20.849 -5.187 1.00 11.11 C ATOM 1471 C GLY A 181 4.586 19.360 -4.972 1.00 11.61 C ATOM 1472 O GLY A 181 3.680 18.866 -4.278 1.00 11.61 O ATOM 1473 H GLY A 181 3.708 22.098 -3.745 1.00 0.00 H ATOM 1474 N PRO A 182 5.533 18.605 -5.556 1.00 12.26 N ATOM 1475 CA PRO A 182 5.584 17.146 -5.447 1.00 13.51 C ATOM 1476 C PRO A 182 5.527 16.614 -4.030 1.00 15.83 C ATOM 1477 O PRO A 182 4.986 15.524 -3.827 1.00 18.33 O ATOM 1478 CB PRO A 182 6.943 16.795 -6.074 1.00 13.30 C ATOM 1479 CG PRO A 182 7.179 17.889 -7.051 1.00 13.18 C ATOM 1480 CD PRO A 182 6.601 19.120 -6.440 1.00 12.58 C ATOM 1481 N MET A 183 6.081 17.351 -3.077 1.00 17.27 N ATOM 1482 CA MET A 183 6.148 16.884 -1.690 1.00 19.47 C ATOM 1483 C MET A 183 4.849 17.153 -0.914 1.00 18.68 C ATOM 1484 O MET A 183 4.697 16.692 0.222 1.00 20.41 O ATOM 1485 CB MET A 183 7.360 17.514 -0.983 1.00 22.23 C ATOM 1486 CG MET A 183 8.694 17.305 -1.716 1.00 24.16 C ATOM 1487 SD MET A 183 10.202 17.858 -0.883 1.00 28.99 S ATOM 1488 CE MET A 183 9.952 19.630 -0.854 1.00 27.94 C ATOM 1489 H MET A 183 6.477 18.282 -3.320 1.00 0.00 H ATOM 1490 N GLU A 184 3.911 17.895 -1.507 1.00 16.75 N ATOM 1491 CA GLU A 184 2.639 18.216 -0.852 1.00 16.57 C ATOM 1492 C GLU A 184 1.596 17.188 -1.259 1.00 15.30 C ATOM 1493 O GLU A 184 1.146 17.155 -2.426 1.00 14.72 O ATOM 1494 CB GLU A 184 2.193 19.628 -1.210 1.00 17.36 C ATOM 1495 CG GLU A 184 3.203 20.680 -0.778 1.00 19.06 C ATOM 1496 CD GLU A 184 2.729 22.081 -1.040 1.00 20.23 C ATOM 1497 OE1 GLU A 184 1.814 22.521 -0.314 1.00 22.78 O ATOM 1498 OE2 GLU A 184 3.284 22.741 -1.946 1.00 21.52 O ATOM 1499 H GLU A 184 4.088 18.257 -2.466 1.00 0.00 H ATOM 1500 N GLU A 185 1.194 16.344 -0.315 1.00 14.98 N ATOM 1501 CA GLU A 185 0.239 15.276 -0.602 1.00 14.58 C ATOM 1502 C GLU A 185 -1.097 15.909 -1.035 1.00 13.54 C ATOM 1503 O GLU A 185 -1.453 17.006 -0.574 1.00 13.14 O ATOM 1504 CB GLU A 185 0.052 14.361 0.617 1.00 15.70 C ATOM 1505 CG GLU A 185 -0.737 14.984 1.760 1.00 16.49 C ATOM 1506 CD GLU A 185 -0.988 14.040 2.916 1.00 17.38 C ATOM 1507 OE1 GLU A 185 -0.248 13.052 3.063 1.00 18.15 O ATOM 1508 OE2 GLU A 185 -1.954 14.278 3.669 1.00 18.43 O ATOM 1509 H GLU A 185 1.568 16.446 0.650 1.00 0.00 H ATOM 1510 N PRO A 186 -1.863 15.234 -1.915 1.00 12.19 N ATOM 1511 CA PRO A 186 -3.080 15.884 -2.404 1.00 11.81 C ATOM 1512 C PRO A 186 -4.060 16.333 -1.341 1.00 11.99 C ATOM 1513 O PRO A 186 -4.751 17.327 -1.559 1.00 11.70 O ATOM 1514 CB PRO A 186 -3.701 14.826 -3.322 1.00 11.45 C ATOM 1515 CG PRO A 186 -2.528 14.025 -3.802 1.00 11.47 C ATOM 1516 CD PRO A 186 -1.582 13.980 -2.642 1.00 12.01 C ATOM 1517 N LEU A 187 -4.138 15.641 -0.212 1.00 12.44 N ATOM 1518 CA LEU A 187 -5.097 16.060 0.808 1.00 13.43 C ATOM 1519 C LEU A 187 -4.815 17.441 1.350 1.00 13.45 C ATOM 1520 O LEU A 187 -5.732 18.057 1.909 1.00 14.00 O ATOM 1521 CB LEU A 187 -5.199 15.062 1.964 1.00 14.59 C ATOM 1522 CG LEU A 187 -5.911 13.758 1.608 1.00 15.31 C ATOM 1523 CD1 LEU A 187 -5.844 12.774 2.769 1.00 16.34 C ATOM 1524 CD2 LEU A 187 -7.353 13.978 1.175 1.00 15.91 C ATOM 1525 H LEU A 187 -3.527 14.814 -0.055 1.00 0.00 H ATOM 1526 N VAL A 188 -3.608 17.970 1.200 1.00 13.22 N ATOM 1527 CA VAL A 188 -3.399 19.351 1.648 1.00 14.05 C ATOM 1528 C VAL A 188 -4.258 20.351 0.855 1.00 13.19 C ATOM 1529 O VAL A 188 -4.576 21.437 1.356 1.00 13.93 O ATOM 1530 CB VAL A 188 -1.920 19.799 1.621 1.00 15.04 C ATOM 1531 CG1 VAL A 188 -0.991 18.812 2.323 1.00 15.35 C ATOM 1532 CG2 VAL A 188 -1.420 20.121 0.248 1.00 15.14 C ATOM 1533 H VAL A 188 -2.832 17.422 0.777 1.00 0.00 H ATOM 1534 N ILE A 189 -4.644 19.988 -0.371 1.00 12.03 N ATOM 1535 CA ILE A 189 -5.455 20.870 -1.217 1.00 11.63 C ATOM 1536 C ILE A 189 -6.868 21.059 -0.632 1.00 12.21 C ATOM 1537 O ILE A 189 -7.515 22.069 -0.868 1.00 12.14 O ATOM 1538 CB ILE A 189 -5.533 20.307 -2.648 1.00 10.88 C ATOM 1539 CG1 ILE A 189 -4.117 20.123 -3.231 1.00 10.67 C ATOM 1540 CG2 ILE A 189 -6.350 21.235 -3.550 1.00 10.83 C ATOM 1541 CD1 ILE A 189 -4.090 19.400 -4.555 1.00 10.35 C ATOM 1542 H ILE A 189 -4.362 19.056 -0.735 1.00 0.00 H ATOM 1543 N GLU A 190 -7.331 20.062 0.114 1.00 13.27 N ATOM 1544 CA GLU A 190 -8.650 20.101 0.710 1.00 14.93 C ATOM 1545 C GLU A 190 -8.906 21.348 1.552 1.00 15.33 C ATOM 1546 O GLU A 190 -10.024 21.869 1.578 1.00 16.48 O ATOM 1547 CB GLU A 190 -8.855 18.835 1.527 1.00 16.47 C ATOM 1548 CG GLU A 190 -10.269 18.665 2.025 1.00 17.80 C ATOM 1549 CD GLU A 190 -10.557 17.295 2.583 1.00 18.97 C ATOM 1550 OE1 GLU A 190 -9.661 16.455 2.629 1.00 20.68 O ATOM 1551 OE2 GLU A 190 -11.709 17.053 2.958 1.00 20.39 O ATOM 1552 H GLU A 190 -6.729 19.229 0.275 1.00 0.00 H ATOM 1553 N LYS A 191 -7.866 21.840 2.208 1.00 15.25 N ATOM 1554 CA LYS A 191 -7.961 23.050 3.037 1.00 16.40 C ATOM 1555 C LYS A 191 -8.426 24.240 2.237 1.00 15.71 C ATOM 1556 O LYS A 191 -9.134 25.100 2.781 1.00 16.35 O ATOM 1557 CB LYS A 191 -6.591 23.387 3.655 1.00 17.86 C ATOM 1558 CG LYS A 191 -5.984 22.341 4.574 1.00 19.47 C ATOM 1559 CD LYS A 191 -4.506 22.648 4.817 1.00 20.93 C ATOM 1560 CE LYS A 191 -3.976 21.967 6.059 1.00 22.52 C ATOM 1561 NZ LYS A 191 -4.275 22.710 7.315 1.00 23.87 N ATOM 1562 HZ1 LYS A 191 -3.844 23.655 7.268 1.00 0.00 H ATOM 1563 HZ2 LYS A 191 -5.305 22.803 7.425 1.00 0.00 H ATOM 1564 HZ3 LYS A 191 -3.884 22.189 8.126 1.00 0.00 H ATOM 1565 H LYS A 191 -6.950 21.353 2.134 1.00 0.00 H ATOM 1566 N ASP A 192 -8.021 24.305 0.963 1.00 14.69 N ATOM 1567 CA ASP A 192 -8.306 25.447 0.105 1.00 14.77 C ATOM 1568 C ASP A 192 -9.570 25.325 -0.732 1.00 14.60 C ATOM 1569 O ASP A 192 -10.118 26.344 -1.136 1.00 15.10 O ATOM 1570 CB ASP A 192 -7.101 25.707 -0.815 1.00 14.77 C ATOM 1571 CG ASP A 192 -5.835 25.979 -0.036 1.00 15.57 C ATOM 1572 OD1 ASP A 192 -5.880 26.778 0.918 1.00 17.52 O ATOM 1573 OD2 ASP A 192 -4.782 25.376 -0.357 1.00 16.00 O ATOM 1574 H ASP A 192 -7.481 23.508 0.570 1.00 0.00 H ATOM 1575 N LEU A 193 -10.042 24.106 -1.002 1.00 14.66 N ATOM 1576 CA LEU A 193 -11.162 23.908 -1.937 1.00 14.72 C ATOM 1577 C LEU A 193 -12.416 24.714 -1.670 1.00 15.18 C ATOM 1578 O LEU A 193 -12.966 25.306 -2.604 1.00 14.87 O ATOM 1579 CB LEU A 193 -11.560 22.436 -2.052 1.00 14.95 C ATOM 1580 CG LEU A 193 -10.554 21.514 -2.705 1.00 14.73 C ATOM 1581 CD1 LEU A 193 -11.105 20.097 -2.720 1.00 14.84 C ATOM 1582 CD2 LEU A 193 -10.213 21.959 -4.120 1.00 14.36 C ATOM 1583 H LEU A 193 -9.610 23.279 -0.543 1.00 0.00 H ATOM 1584 N PRO A 194 -12.902 24.751 -0.405 1.00 16.12 N ATOM 1585 CA PRO A 194 -14.169 25.449 -0.193 1.00 17.14 C ATOM 1586 C PRO A 194 -14.114 26.933 -0.492 1.00 17.99 C ATOM 1587 O PRO A 194 -15.157 27.557 -0.724 1.00 19.42 O ATOM 1588 CB PRO A 194 -14.463 25.189 1.291 1.00 17.57 C ATOM 1589 CG PRO A 194 -13.718 23.939 1.604 1.00 17.40 C ATOM 1590 CD PRO A 194 -12.445 24.089 0.834 1.00 16.50 C ATOM 1591 N HIS A 195 -12.922 27.511 -0.482 1.00 18.92 N ATOM 1592 CA HIS A 195 -12.773 28.902 -0.815 1.00 20.24 C ATOM 1593 C HIS A 195 -13.134 29.155 -2.287 1.00 19.91 C ATOM 1594 O HIS A 195 -13.554 30.254 -2.646 1.00 21.62 O ATOM 1595 CB HIS A 195 -11.366 29.385 -0.474 1.00 21.27 C ATOM 1596 CG HIS A 195 -11.185 30.857 -0.644 1.00 22.89 C ATOM 1597 ND1 HIS A 195 -11.935 31.781 0.049 1.00 24.18 N ATOM 1598 CD2 HIS A 195 -10.365 31.567 -1.452 1.00 23.55 C ATOM 1599 CE1 HIS A 195 -11.577 32.999 -0.319 1.00 24.74 C ATOM 1600 NE2 HIS A 195 -10.625 32.895 -1.229 1.00 24.50 N ATOM 1601 H HIS A 195 -12.083 26.951 -0.230 1.00 0.00 H ATOM 1602 N TYR A 196 -12.993 28.134 -3.140 1.00 18.71 N ATOM 1603 CA TYR A 196 -13.226 28.284 -4.581 1.00 18.38 C ATOM 1604 C TYR A 196 -14.500 27.678 -5.104 1.00 18.78 C ATOM 1605 O TYR A 196 -14.934 28.030 -6.210 1.00 19.07 O ATOM 1606 CB TYR A 196 -12.023 27.747 -5.348 1.00 17.33 C ATOM 1607 CG TYR A 196 -10.815 28.501 -4.954 1.00 17.89 C ATOM 1608 CD1 TYR A 196 -10.612 29.803 -5.422 1.00 18.07 C ATOM 1609 CD2 TYR A 196 -9.914 27.982 -4.025 1.00 18.21 C ATOM 1610 CE1 TYR A 196 -9.525 30.530 -5.022 1.00 18.83 C ATOM 1611 CE2 TYR A 196 -8.824 28.706 -3.626 1.00 18.92 C ATOM 1612 CZ TYR A 196 -8.638 29.986 -4.126 1.00 19.23 C ATOM 1613 OH TYR A 196 -7.561 30.710 -3.720 1.00 20.95 O ATOM 1614 HH TYR A 196 -7.573 31.594 -4.165 1.00 0.00 H ATOM 1615 H TYR A 196 -12.709 27.204 -2.770 1.00 0.00 H ATOM 1616 N PHE A 197 -15.130 26.780 -4.354 1.00 19.95 N ATOM 1617 CA PHE A 197 -16.432 26.296 -4.772 1.00 21.10 C ATOM 1618 C PHE A 197 -17.346 27.517 -4.858 1.00 22.81 C ATOM 1619 O PHE A 197 -18.055 27.726 -5.841 1.00 23.85 O ATOM 1620 CB PHE A 197 -16.983 25.204 -3.840 1.00 21.29 C ATOM 1621 CG PHE A 197 -16.244 23.880 -3.929 1.00 20.62 C ATOM 1622 CD1 PHE A 197 -15.949 23.299 -5.166 1.00 20.28 C ATOM 1623 CD2 PHE A 197 -15.892 23.189 -2.774 1.00 21.05 C ATOM 1624 CE1 PHE A 197 -15.287 22.082 -5.240 1.00 19.87 C ATOM 1625 CE2 PHE A 197 -15.227 21.974 -2.843 1.00 20.78 C ATOM 1626 CZ PHE A 197 -14.930 21.419 -4.076 1.00 20.42 C ATOM 1627 OXT PHE A 197 -17.318 28.383 -3.985 1.00 25.13 O ATOM 1628 H PHE A 197 -14.695 26.428 -3.477 1.00 0.00 H TER 1629 PHE A 197 HETATM 1630 O HOH 1 -14.362 19.376 4.019 1.00 28.00 O HETATM 1631 O HOH 2 0.520 7.145 -13.610 1.00 12.21 O HETATM 1632 O HOH 3 -22.173 26.070 -22.881 1.00 27.79 O HETATM 1633 O HOH 4 -14.946 13.845 -12.620 1.00 16.16 O HETATM 1634 O HOH 5 1.451 1.476 -7.175 1.00 35.25 O HETATM 1635 O HOH 6 -17.786 24.069 2.626 1.00 33.42 O HETATM 1636 O HOH 7 -14.081 29.326 -8.361 1.00 15.85 O HETATM 1637 O HOH 8 -11.164 36.856 -19.474 1.00 26.14 O HETATM 1638 O HOH 9 -19.279 20.818 -18.675 1.00 14.89 O HETATM 1639 O HOH 10 0.393 -0.964 -24.757 1.00 27.11 O HETATM 1640 O HOH 11 -9.914 5.014 -14.622 1.00 24.35 O HETATM 1641 O HOH 12 9.925 19.801 -24.113 1.00 13.44 O HETATM 1642 O HOH 13 8.016 -0.524 -16.447 1.00 17.91 O HETATM 1643 O HOH 14 4.578 1.832 -15.231 1.00 26.33 O HETATM 1644 O HOH 15 -13.791 9.121 -7.308 1.00 18.01 O HETATM 1645 O HOH 16 -15.240 15.344 -16.370 1.00 15.98 O HETATM 1646 O HOH 17 -18.727 25.366 -6.970 1.00 24.71 O HETATM 1647 O HOH 18 -12.002 30.391 -21.819 1.00 16.91 O HETATM 1648 O HOH 19 -12.181 25.414 -14.384 1.00 11.60 O HETATM 1649 O HOH 20 14.138 6.776 -11.840 1.00 22.89 O HETATM 1650 O HOH 21 -15.087 33.927 -24.470 1.00 18.51 O HETATM 1651 O HOH 22 -2.731 9.859 -27.608 1.00 26.82 O HETATM 1652 O HOH 23 4.140 3.949 -17.208 1.00 13.30 O HETATM 1653 O HOH 24 -2.881 33.073 -11.445 1.00 12.80 O HETATM 1654 O HOH 25 3.770 25.766 -27.487 1.00 22.90 O HETATM 1655 O HOH 26 -5.115 38.117 -24.101 1.00 32.34 O HETATM 1656 O HOH 27 -11.584 33.953 -11.695 1.00 18.65 O HETATM 1657 O HOH 28 -14.629 11.703 -15.234 1.00 26.93 O HETATM 1658 O HOH 29 -11.881 15.182 -19.919 1.00 18.39 O HETATM 1659 O HOH 30 -11.482 1.264 -12.332 1.00 13.59 O HETATM 1660 O HOH 31 6.134 28.417 -19.385 1.00 14.83 O HETATM 1661 O HOH 32 9.399 4.299 -22.462 1.00 19.82 O HETATM 1662 O HOH 33 -11.813 8.987 -8.669 1.00 18.52 O HETATM 1663 O HOH 34 4.837 13.495 -14.145 1.00 9.54 O HETATM 1664 O HOH 35 0.591 29.248 -5.695 1.00 15.89 O HETATM 1665 O HOH 36 -0.160 13.295 -25.896 1.00 24.80 O HETATM 1666 O HOH 37 12.072 3.646 -16.602 1.00 22.80 O HETATM 1667 O HOH 38 -7.684 5.179 -16.305 1.00 22.22 O HETATM 1668 O HOH 39 -7.614 4.212 -4.607 1.00 22.26 O HETATM 1669 O HOH 40 8.258 10.917 -15.089 1.00 9.89 O HETATM 1670 O HOH 41 6.779 12.499 -21.196 1.00 15.50 O HETATM 1671 O HOH 42 -14.069 30.173 -19.852 1.00 24.26 O HETATM 1672 O HOH 43 -12.306 8.564 -24.671 1.00 31.58 O HETATM 1673 O HOH 44 -19.818 23.499 -18.130 1.00 16.04 O HETATM 1674 O HOH 45 12.920 11.143 -17.442 1.00 20.27 O HETATM 1675 O HOH 46 2.911 13.946 -2.766 1.00 23.76 O HETATM 1676 O HOH 47 -20.393 26.612 -11.769 1.00 16.27 O HETATM 1677 O HOH 48 7.047 21.577 -9.347 1.00 9.28 O HETATM 1678 O HOH 49 -0.722 -1.320 -16.735 1.00 19.20 O HETATM 1679 O HOH 50 -10.871 7.598 -15.720 1.00 30.55 O HETATM 1680 O HOH 51 0.969 10.446 -25.537 1.00 14.29 O HETATM 1681 O HOH 52 -2.453 32.570 -34.014 1.00 30.52 O HETATM 1682 O HOH 53 14.491 12.808 -15.429 1.00 26.31 O HETATM 1683 O HOH 54 3.980 17.448 -24.830 1.00 11.42 O HETATM 1684 O HOH 55 -2.797 14.978 -23.172 1.00 8.89 O HETATM 1685 O HOH 56 -16.438 14.045 -18.629 1.00 26.74 O HETATM 1686 O HOH 57 7.649 24.573 -20.915 1.00 12.48 O HETATM 1687 O HOH 58 -4.423 32.166 -14.131 1.00 14.41 O HETATM 1688 O HOH 59 -10.829 32.621 -7.518 1.00 32.00 O HETATM 1689 O HOH 60 13.652 14.795 -18.682 1.00 19.63 O HETATM 1690 O HOH 61 -16.486 10.763 -12.458 1.00 16.54 O HETATM 1691 O HOH 62 -10.198 9.369 -18.222 1.00 22.97 O HETATM 1692 O HOH 63 9.164 24.808 -7.561 1.00 22.24 O HETATM 1693 O HOH 64 -2.632 16.475 -25.482 1.00 10.54 O HETATM 1694 O HOH 65 -4.042 23.258 -25.967 1.00 11.16 O HETATM 1695 O HOH 66 -18.854 23.956 -20.899 1.00 23.69 O HETATM 1696 O HOH 67 -23.201 20.667 -5.184 1.00 20.51 O HETATM 1697 O HOH 68 -2.474 36.016 -20.812 1.00 29.84 O HETATM 1698 O HOH 69 10.832 7.412 -6.073 1.00 25.68 O HETATM 1699 O HOH 70 1.364 25.186 -1.882 1.00 26.22 O HETATM 1700 O HOH 71 13.241 22.546 -25.054 1.00 27.71 O HETATM 1701 O HOH 72 6.360 13.139 -6.443 1.00 18.67 O HETATM 1702 O HOH 73 7.931 27.703 -25.518 1.00 28.02 O HETATM 1703 O HOH 74 -5.492 4.161 -24.014 1.00 25.10 O HETATM 1704 O HOH 75 -6.700 35.458 -16.719 1.00 36.95 O HETATM 1705 O HOH 76 -3.203 23.961 1.636 1.00 27.81 O HETATM 1706 O HOH 77 -12.972 12.342 -22.862 1.00 35.75 O HETATM 1707 O HOH 78 9.290 26.351 -17.049 1.00 15.97 O HETATM 1708 O HOH 79 -0.636 34.430 -19.245 1.00 25.98 O HETATM 1709 O HOH 80 2.187 16.689 2.390 1.00 22.98 O HETATM 1710 O HOH 81 3.126 6.222 -2.069 1.00 18.43 O HETATM 1711 O HOH 82 3.999 22.770 -27.591 1.00 32.22 O HETATM 1712 O HOH 83 5.558 23.470 -7.020 1.00 17.05 O HETATM 1713 O HOH 84 -4.863 -5.689 -20.395 1.00 27.03 O HETATM 1714 O HOH 85 10.413 24.390 -18.967 1.00 14.98 O HETATM 1715 O HOH 86 7.309 19.983 -3.256 1.00 19.13 O HETATM 1716 O HOH 87 -16.336 34.650 -10.903 1.00 27.57 O HETATM 1717 O HOH 88 -3.650 35.512 -17.033 1.00 39.82 O HETATM 1718 O HOH 89 -14.395 18.058 -25.885 1.00 25.09 O HETATM 1719 O HOH 90 5.903 28.566 -27.578 1.00 25.22 O HETATM 1720 O HOH 91 -5.700 33.716 -9.046 1.00 28.77 O HETATM 1721 O HOH 92 11.262 5.477 -20.714 1.00 16.02 O HETATM 1722 O HOH 93 -8.479 6.025 -2.578 1.00 20.70 O HETATM 1723 O HOH 94 -18.681 13.981 -4.038 1.00 20.34 O HETATM 1724 O HOH 95 4.039 4.261 -4.869 1.00 19.87 O HETATM 1725 O HOH 96 -12.557 14.884 -13.207 1.00 12.95 O HETATM 1726 O HOH 97 1.262 5.406 -25.926 1.00 24.89 O HETATM 1727 O HOH 98 -1.505 3.067 -25.905 1.00 16.10 O HETATM 1728 O HOH 99 1.884 36.668 -21.412 1.00 26.00 O HETATM 1729 O HOH 100 0.686 35.661 -27.794 1.00 30.05 O HETATM 1730 O HOH 101 -2.907 8.473 2.300 1.00 28.08 O HETATM 1731 O HOH 102 -9.741 13.403 -31.704 1.00 28.15 O HETATM 1732 O HOH 103 -17.140 23.969 -9.088 1.00 17.98 O HETATM 1733 O HOH 104 9.512 9.394 -22.879 1.00 32.45 O HETATM 1734 O HOH 105 12.028 9.790 -7.394 1.00 32.86 O HETATM 1735 O HOH 106 7.017 26.191 -29.050 1.00 28.87 O HETATM 1736 O HOH 107 -3.762 6.946 -26.709 1.00 37.49 O HETATM 1737 O HOH 108 -9.887 12.941 -20.203 1.00 21.60 O HETATM 1738 O HOH 109 1.673 2.491 -16.264 1.00 31.15 O HETATM 1739 O HOH 110 11.931 27.935 -14.621 1.00 26.59 O HETATM 1740 O HOH 111 -16.008 21.775 3.570 1.00 33.51 O HETATM 1741 O HOH 112 -14.820 30.733 1.388 1.00 36.85 O HETATM 1742 O HOH 113 -9.226 -0.543 -21.100 1.00 31.12 O HETATM 1743 O HOH 114 5.319 12.946 -23.943 1.00 25.69 O HETATM 1744 O HOH 115 9.814 12.590 -21.727 1.00 37.11 O HETATM 1745 O HOH 116 -15.946 8.043 -6.217 1.00 27.94 O HETATM 1746 O HOH 117 7.932 28.848 -17.202 1.00 19.07 O HETATM 1747 O HOH 118 -0.182 15.996 -26.890 1.00 16.24 O HETATM 1748 O HOH 119 13.153 20.095 -21.356 1.00 25.68 O HETATM 1749 O HOH 120 4.724 15.000 -26.007 1.00 26.29 O HETATM 1750 O HOH 121 14.979 9.158 -10.658 1.00 16.84 O HETATM 1751 O HOH 122 -17.763 10.401 -7.667 1.00 31.07 O HETATM 1752 O HOH 123 1.440 17.999 -25.805 1.00 14.20 O HETATM 1753 O HOH 124 16.032 10.116 -16.183 1.00 30.56 O HETATM 1754 O HOH 125 6.916 -0.057 -19.193 1.00 31.65 O HETATM 1755 O HOH 126 -4.192 3.986 -26.661 1.00 33.39 O HETATM 1756 O HOH 127 -4.173 35.573 -10.743 1.00 28.67 O HETATM 1757 O HOH 128 7.929 22.373 -6.750 1.00 15.52 O HETATM 1758 O HOH 129 7.534 27.379 -21.637 1.00 18.94 O HETATM 1759 O HOH 130 12.550 3.455 -19.393 1.00 23.40 O HETATM 1760 O HOH 131 -10.986 42.702 -19.310 1.00 26.31 O HETATM 1761 O HOH 132 -8.509 24.362 -28.251 1.00 24.12 O HETATM 1762 O HOH 133 1.754 19.876 -27.861 1.00 21.13 O HETATM 1763 O HOH 134 -17.166 35.832 -26.961 1.00 19.26 O HETATM 1764 O HOH 135 -8.065 35.320 -33.774 1.00 31.19 O HETATM 1765 O HOH 136 -12.612 29.447 -24.433 1.00 25.41 O HETATM 1766 O HOH 137 3.340 27.675 -29.781 1.00 33.50 O HETATM 1767 O HOH 138 -5.416 21.061 -31.701 1.00 21.23 O HETATM 1768 O HOH 139 -9.895 37.672 -33.347 1.00 35.61 O HETATM 1769 O HOH 140 -7.958 24.425 -31.163 1.00 37.33 O HETATM 1770 C ACE A 141 -13.097 32.080 -28.240 1.00 0.18 C HETATM 1771 O ACE A 141 -12.919 31.843 -29.434 1.00 -0.40 O HETATM 1772 CH3 ACE A 141 -14.479 32.290 -27.648 1.00 0.03 C HETATM 1773 H1 ACE A 141 -14.390 32.486 -26.569 1.00 0.05 H HETATM 1774 H2 ACE A 141 -15.087 31.387 -27.807 1.00 0.05 H HETATM 1775 H3 ACE A 141 -14.961 33.148 -28.138 1.00 0.05 H HETATM 1776 N ACE A 141 -12.080 32.208 -27.395 1.00 -0.27 N HETATM 1777 CA ACE A 141 -10.690 31.922 -27.871 1.00 0.14 C HETATM 1778 C ACE A 141 -10.288 30.485 -27.558 1.00 0.20 C HETATM 1779 O ACE A 141 -10.647 29.917 -26.520 1.00 -0.39 O HETATM 1780 N ACE A 141 -9.535 29.896 -28.481 1.00 -0.26 N HETATM 1781 CA ACE A 141 -9.068 28.516 -28.399 1.00 0.13 C HETATM 1782 C ACE A 141 -7.577 28.481 -28.635 1.00 0.20 C HETATM 1783 O ACE A 141 -7.093 29.124 -29.572 1.00 -0.39 O HETATM 1784 N ACE A 141 -6.869 27.684 -27.836 1.00 -0.26 N HETATM 1785 CA ACE A 141 -5.461 27.395 -28.065 1.00 0.13 C HETATM 1786 C ACE A 141 -5.381 25.948 -28.515 1.00 0.20 C HETATM 1787 O ACE A 141 -5.878 25.048 -27.845 1.00 -0.39 O HETATM 1788 N ACE A 141 -4.756 25.717 -29.661 1.00 -0.26 N HETATM 1789 CA ACE A 141 -4.664 24.360 -30.201 1.00 0.14 C HETATM 1790 C ACE A 141 -3.544 23.589 -29.526 1.00 0.21 C HETATM 1791 O ACE A 141 -2.838 24.089 -28.654 1.00 -0.39 O HETATM 1792 N ACE A 141 -3.374 22.341 -29.940 1.00 -0.26 N HETATM 1793 CA ACE A 141 -2.360 21.495 -29.342 1.00 0.13 C HETATM 1794 C ACE A 141 -0.941 22.007 -29.506 1.00 0.20 C HETATM 1795 O ACE A 141 -0.059 21.695 -28.710 1.00 -0.39 O HETATM 1796 N ACE A 141 -0.709 22.780 -30.569 1.00 -0.26 N HETATM 1797 CA ACE A 141 0.602 23.308 -30.856 1.00 0.13 C HETATM 1798 C ACE A 141 0.853 24.656 -30.214 1.00 0.20 C HETATM 1799 O ACE A 141 1.948 25.173 -30.309 1.00 -0.39 O HETATM 1800 N ACE A 141 -0.163 25.235 -29.569 1.00 -0.27 N HETATM 1801 CA ACE A 141 -0.010 26.476 -28.824 1.00 0.12 C HETATM 1802 C ACE A 141 -0.441 27.738 -29.550 1.00 0.20 C HETATM 1803 O ACE A 141 -0.272 28.818 -29.014 1.00 -0.39 O HETATM 1804 N ACE A 141 -0.994 27.616 -30.757 1.00 -0.26 N HETATM 1805 CA ACE A 141 -1.506 28.788 -31.490 1.00 0.14 C HETATM 1806 C ACE A 141 -2.905 29.128 -30.998 1.00 0.21 C HETATM 1807 O ACE A 141 -3.680 28.222 -30.684 1.00 -0.39 O HETATM 1808 N ACE A 141 -3.232 30.420 -30.968 1.00 -0.26 N HETATM 1809 CA ACE A 141 -4.497 30.895 -30.410 1.00 0.13 C HETATM 1810 C ACE A 141 -5.339 31.564 -31.479 1.00 0.20 C HETATM 1811 O ACE A 141 -4.827 32.333 -32.284 1.00 -0.39 O HETATM 1812 N ACE A 141 -6.637 31.265 -31.492 1.00 -0.26 N HETATM 1813 CA ACE A 141 -7.587 31.898 -32.408 1.00 0.13 C HETATM 1814 C ACE A 141 -8.837 32.294 -31.640 1.00 0.20 C HETATM 1815 O ACE A 141 -9.322 31.558 -30.780 1.00 -0.39 O HETATM 1816 N ACE A 141 -9.366 33.468 -31.971 1.00 -0.26 N HETATM 1817 CA ACE A 141 -10.534 34.034 -31.296 1.00 0.14 C HETATM 1818 C ACE A 141 -11.639 34.276 -32.299 1.00 0.20 C HETATM 1819 O ACE A 141 -11.453 34.068 -33.510 1.00 -0.39 O HETATM 1820 N ACE A 141 -12.788 34.735 -31.804 1.00 -0.26 N HETATM 1821 CA ACE A 141 -13.934 35.061 -32.655 1.00 0.13 C HETATM 1822 C ACE A 141 -13.596 36.247 -33.552 1.00 0.20 C HETATM 1823 O ACE A 141 -12.988 37.220 -33.103 1.00 -0.39 O HETATM 1824 N ACE A 141 -13.998 36.147 -34.822 1.00 -0.26 N HETATM 1825 CA ACE A 141 -13.786 37.179 -35.839 1.00 0.13 C HETATM 1826 C ACE A 141 -15.089 37.940 -36.124 1.00 0.20 C HETATM 1827 O ACE A 141 -16.138 37.631 -35.528 1.00 -0.39 O HETATM 1828 N ACE A 141 -15.022 38.975 -36.966 1.00 -0.30 N HETATM 1829 H122 ACE A 141 -15.846 39.499 -37.181 1.00 0.18 H HETATM 1830 H123 ACE A 141 -14.148 39.225 -37.382 1.00 0.18 H HETATM 1831 CB ACE A 141 -13.280 36.530 -37.132 1.00 -0.01 C HETATM 1832 CG ACE A 141 -11.899 35.903 -37.035 1.00 -0.02 C HETATM 1833 CD ACE A 141 -11.456 35.354 -38.384 1.00 0.06 C HETATM 1834 NE ACE A 141 -12.322 34.258 -38.843 1.00 -0.27 N HETATM 1835 CZ ACE A 141 -13.283 34.333 -39.772 1.00 0.29 C HETATM 1836 NH1 ACE A 141 -13.560 35.466 -40.421 1.00 -0.28 N HETATM 1837 H118 ACE A 141 -14.307 35.484 -41.130 1.00 0.26 H HETATM 1838 H119 ACE A 141 -13.027 36.322 -40.213 1.00 0.26 H HETATM 1839 NH2 ACE A 141 -13.981 33.238 -40.068 1.00 -0.28 N HETATM 1840 H120 ACE A 141 -13.783 32.353 -39.579 1.00 0.26 H HETATM 1841 H121 ACE A 141 -14.719 33.276 -40.786 1.00 0.26 H HETATM 1842 H117 ACE A 141 -12.174 33.338 -38.405 1.00 0.26 H HETATM 1843 H115 ACE A 141 -10.426 34.979 -38.294 1.00 0.07 H HETATM 1844 H116 ACE A 141 -11.487 36.166 -39.126 1.00 0.07 H HETATM 1845 H113 ACE A 141 -11.927 35.082 -36.303 1.00 0.03 H HETATM 1846 H114 ACE A 141 -11.180 36.666 -36.703 1.00 0.03 H HETATM 1847 H111 ACE A 141 -13.250 37.303 -37.914 1.00 0.03 H HETATM 1848 H112 ACE A 141 -13.993 35.744 -37.421 1.00 0.03 H HETATM 1849 H110 ACE A 141 -13.031 37.890 -35.473 1.00 0.08 H HETATM 1850 H109 ACE A 141 -14.475 35.312 -35.096 1.00 0.19 H HETATM 1851 CB ACE A 141 -15.155 35.406 -31.804 1.00 -0.01 C HETATM 1852 CG ACE A 141 -15.649 34.270 -30.930 1.00 -0.02 C HETATM 1853 CD ACE A 141 -16.753 34.720 -29.984 1.00 0.06 C HETATM 1854 NE ACE A 141 -18.060 34.760 -30.638 1.00 -0.27 N HETATM 1855 CZ ACE A 141 -19.218 35.034 -30.029 1.00 0.29 C HETATM 1856 NH1 ACE A 141 -19.268 35.327 -28.729 1.00 -0.28 N HETATM 1857 H105 ACE A 141 -20.173 35.535 -28.282 1.00 0.26 H HETATM 1858 H106 ACE A 141 -18.402 35.346 -28.172 1.00 0.26 H HETATM 1859 NH2 ACE A 141 -20.347 35.023 -30.736 1.00 -0.28 N HETATM 1860 H107 ACE A 141 -20.323 34.798 -31.741 1.00 0.26 H HETATM 1861 H108 ACE A 141 -21.244 35.239 -30.278 1.00 0.26 H HETATM 1862 H104 ACE A 141 -18.091 34.561 -31.648 1.00 0.26 H HETATM 1863 H102 ACE A 141 -16.512 35.727 -29.612 1.00 0.07 H HETATM 1864 H103 ACE A 141 -16.802 34.019 -29.138 1.00 0.07 H HETATM 1865 H100 ACE A 141 -14.806 33.886 -30.336 1.00 0.03 H HETATM 1866 H101 ACE A 141 -16.038 33.468 -31.575 1.00 0.03 H HETATM 1867 H98 ACE A 141 -15.972 35.702 -32.478 1.00 0.03 H HETATM 1868 H99 ACE A 141 -14.893 36.252 -31.152 1.00 0.03 H HETATM 1869 H97 ACE A 141 -14.170 34.189 -33.283 1.00 0.08 H HETATM 1870 H96 ACE A 141 -12.870 34.861 -30.815 1.00 0.19 H HETATM 1871 CB ACE A 141 -10.162 35.339 -30.595 1.00 0.04 C HETATM 1872 SG ACE A 141 -8.946 35.168 -29.282 1.00 -0.09 S HETATM 1873 SG ACE A 141 -10.017 34.630 -27.588 1.00 -0.09 S HETATM 1874 CB ACE A 141 -9.676 32.900 -27.280 1.00 0.04 C HETATM 1875 H6 ACE A 141 -8.689 32.666 -27.707 1.00 0.04 H HETATM 1876 H7 ACE A 141 -9.650 32.747 -26.191 1.00 0.04 H HETATM 1877 H94 ACE A 141 -11.077 35.767 -30.160 1.00 0.04 H HETATM 1878 H95 ACE A 141 -9.757 36.029 -31.349 1.00 0.04 H HETATM 1879 H93 ACE A 141 -10.890 33.317 -30.542 1.00 0.08 H HETATM 1880 H92 ACE A 141 -8.946 33.988 -32.715 1.00 0.19 H HETATM 1881 CB ACE A 141 -7.989 30.939 -33.520 1.00 -0.01 C HETATM 1882 CG ACE A 141 -6.915 30.629 -34.564 1.00 -0.02 C HETATM 1883 CD ACE A 141 -7.136 29.232 -35.125 1.00 0.06 C HETATM 1884 NE ACE A 141 -7.132 28.451 -33.923 1.00 -0.27 N HETATM 1885 CZ ACE A 141 -6.103 27.820 -33.383 1.00 0.29 C HETATM 1886 NH1 ACE A 141 -4.949 27.611 -34.032 1.00 -0.28 N HETATM 1887 H88 ACE A 141 -4.178 27.113 -33.564 1.00 0.26 H HETATM 1888 H89 ACE A 141 -4.833 27.948 -34.998 1.00 0.26 H HETATM 1889 NH2 ACE A 141 -6.317 27.303 -32.192 1.00 -0.28 N HETATM 1890 H90 ACE A 141 -7.210 27.475 -31.709 1.00 0.26 H HETATM 1891 H91 ACE A 141 -5.591 26.727 -31.743 1.00 0.26 H HETATM 1892 H87 ACE A 141 -8.030 28.373 -33.425 1.00 0.26 H HETATM 1893 H85 ACE A 141 -6.322 28.935 -35.802 1.00 0.07 H HETATM 1894 H86 ACE A 141 -8.098 29.156 -35.653 1.00 0.07 H HETATM 1895 H83 ACE A 141 -5.922 30.682 -34.094 1.00 0.03 H HETATM 1896 H84 ACE A 141 -6.974 31.364 -35.380 1.00 0.03 H HETATM 1897 H81 ACE A 141 -8.851 31.376 -34.045 1.00 0.03 H HETATM 1898 H82 ACE A 141 -8.287 29.989 -33.053 1.00 0.03 H HETATM 1899 H80 ACE A 141 -7.123 32.793 -32.848 1.00 0.08 H HETATM 1900 H79 ACE A 141 -6.977 30.579 -30.849 1.00 0.19 H HETATM 1901 CB ACE A 141 -4.210 31.873 -29.281 1.00 -0.01 C HETATM 1902 CG ACE A 141 -5.432 32.339 -28.498 1.00 -0.02 C HETATM 1903 CD ACE A 141 -4.976 33.116 -27.279 1.00 0.06 C HETATM 1904 NE ACE A 141 -6.045 33.462 -26.347 1.00 -0.27 N HETATM 1905 CZ ACE A 141 -6.618 34.654 -26.190 1.00 0.29 C HETATM 1906 NH1 ACE A 141 -6.294 35.700 -26.952 1.00 -0.28 N HETATM 1907 H75 ACE A 141 -6.757 36.608 -26.804 1.00 0.26 H HETATM 1908 H76 ACE A 141 -5.581 35.599 -27.689 1.00 0.26 H HETATM 1909 NH2 ACE A 141 -7.518 34.799 -25.232 1.00 -0.28 N HETATM 1910 H77 ACE A 141 -7.773 33.996 -24.640 1.00 0.26 H HETATM 1911 H78 ACE A 141 -7.964 35.715 -25.078 1.00 0.26 H HETATM 1912 H74 ACE A 141 -6.394 32.702 -25.746 1.00 0.26 H HETATM 1913 H72 ACE A 141 -4.505 34.049 -27.622 1.00 0.07 H HETATM 1914 H73 ACE A 141 -4.235 32.507 -26.741 1.00 0.07 H HETATM 1915 H70 ACE A 141 -6.020 31.466 -28.179 1.00 0.03 H HETATM 1916 H71 ACE A 141 -6.053 32.986 -29.135 1.00 0.03 H HETATM 1917 H68 ACE A 141 -3.725 32.760 -29.715 1.00 0.03 H HETATM 1918 H69 ACE A 141 -3.520 31.386 -28.576 1.00 0.03 H HETATM 1919 H67 ACE A 141 -5.054 30.036 -30.008 1.00 0.08 H HETATM 1920 H66 ACE A 141 -2.589 31.089 -31.341 1.00 0.19 H HETATM 1921 CB ACE A 141 -1.564 28.506 -32.997 1.00 0.00 C HETATM 1922 CG ACE A 141 -0.234 28.202 -33.585 1.00 -0.04 C HETATM 1923 CD1 ACE A 141 0.285 26.984 -33.849 1.00 0.02 C HETATM 1924 NE1 ACE A 141 1.549 27.100 -34.369 1.00 -0.29 N HETATM 1925 CE2 ACE A 141 1.872 28.420 -34.433 1.00 0.06 C HETATM 1926 CD2 ACE A 141 0.765 29.148 -33.943 1.00 -0.02 C HETATM 1927 CE3 ACE A 141 0.844 30.547 -33.889 1.00 -0.07 C HETATM 1928 CZ3 ACE A 141 2.012 31.162 -34.317 1.00 -0.08 C HETATM 1929 CH2 ACE A 141 3.091 30.406 -34.822 1.00 -0.08 C HETATM 1930 CZ2 ACE A 141 3.039 29.040 -34.879 1.00 -0.04 C HETATM 1931 H63 ACE A 141 3.874 28.461 -35.257 1.00 0.05 H HETATM 1932 H65 ACE A 141 3.980 30.918 -35.172 1.00 0.05 H HETATM 1933 H64 ACE A 141 2.097 32.241 -34.262 1.00 0.05 H HETATM 1934 H62 ACE A 141 0.011 31.135 -33.521 1.00 0.05 H HETATM 1935 H61 ACE A 141 2.153 26.319 -34.662 1.00 0.22 H HETATM 1936 H60 ACE A 141 -0.229 26.040 -33.673 1.00 0.08 H HETATM 1937 H58 ACE A 141 -1.976 29.391 -33.503 1.00 0.04 H HETATM 1938 H59 ACE A 141 -2.227 27.645 -33.167 1.00 0.04 H HETATM 1939 H57 ACE A 141 -0.838 29.643 -31.309 1.00 0.08 H HETATM 1940 H56 ACE A 141 -1.063 26.710 -31.174 1.00 0.19 H HETATM 1941 H54 ACE A 141 1.053 26.584 -28.561 1.00 0.08 H HETATM 1942 H55 ACE A 141 -0.608 26.394 -27.905 1.00 0.08 H HETATM 1943 H53 ACE A 141 -1.063 24.800 -29.599 1.00 0.19 H HETATM 1944 CB ACE A 141 0.807 23.401 -32.371 1.00 0.00 C HETATM 1945 CG ACE A 141 0.659 22.068 -33.101 1.00 0.04 C HETATM 1946 CD ACE A 141 1.512 20.978 -32.504 1.00 0.17 C HETATM 1947 OE1 ACE A 141 2.659 21.217 -32.106 1.00 -0.40 O HETATM 1948 NE2 ACE A 141 0.953 19.781 -32.406 1.00 -0.30 N HETATM 1949 H51 ACE A 141 1.470 19.018 -32.018 1.00 0.18 H HETATM 1950 H52 ACE A 141 0.014 19.640 -32.720 1.00 0.18 H HETATM 1951 H49 ACE A 141 0.952 22.208 -34.152 1.00 0.05 H HETATM 1952 H50 ACE A 141 -0.395 21.756 -33.053 1.00 0.05 H HETATM 1953 H47 ACE A 141 1.819 23.788 -32.560 1.00 0.03 H HETATM 1954 H48 ACE A 141 0.064 24.103 -32.778 1.00 0.03 H HETATM 1955 H46 ACE A 141 1.342 22.603 -30.451 1.00 0.08 H HETATM 1956 H45 ACE A 141 -1.466 22.999 -31.184 1.00 0.19 H HETATM 1957 CB ACE A 141 -2.437 20.090 -29.925 1.00 -0.01 C HETATM 1958 CG ACE A 141 -2.925 18.961 -29.072 1.00 -0.04 C HETATM 1959 CD1 ACE A 141 -2.672 17.653 -29.789 1.00 -0.06 C HETATM 1960 H39 ACE A 141 -3.029 16.819 -29.167 1.00 0.02 H HETATM 1961 H40 ACE A 141 -1.594 17.538 -29.973 1.00 0.02 H HETATM 1962 H41 ACE A 141 -3.210 17.651 -30.748 1.00 0.02 H HETATM 1963 CD2 ACE A 141 -2.219 18.943 -27.734 1.00 -0.06 C HETATM 1964 H42 ACE A 141 -2.401 19.893 -27.210 1.00 0.02 H HETATM 1965 H43 ACE A 141 -1.138 18.813 -27.891 1.00 0.02 H HETATM 1966 H44 ACE A 141 -2.604 18.110 -27.127 1.00 0.02 H HETATM 1967 H38 ACE A 141 -4.005 19.081 -28.904 1.00 0.03 H HETATM 1968 H36 ACE A 141 -1.422 19.825 -30.255 1.00 0.03 H HETATM 1969 H37 ACE A 141 -3.104 20.142 -30.798 1.00 0.03 H HETATM 1970 H35 ACE A 141 -2.573 21.439 -28.264 1.00 0.08 H HETATM 1971 H34 ACE A 141 -3.951 21.980 -30.672 1.00 0.19 H HETATM 1972 CB ACE A 141 -4.563 24.368 -31.741 1.00 0.04 C HETATM 1973 CG ACE A 141 -3.275 24.979 -32.276 1.00 0.04 C HETATM 1974 OD1 ACE A 141 -2.260 25.072 -31.573 1.00 -0.57 O HETATM 1975 OD2 ACE A 141 -3.262 25.354 -33.491 1.00 -0.57 O HETATM 1976 H32 ACE A 141 -5.411 24.945 -32.140 1.00 0.05 H HETATM 1977 H33 ACE A 141 -4.626 23.329 -32.097 1.00 0.05 H HETATM 1978 H31 ACE A 141 -5.603 23.845 -29.949 1.00 0.08 H HETATM 1979 H30 ACE A 141 -4.343 26.478 -30.162 1.00 0.19 H HETATM 1980 CB ACE A 141 -4.618 27.608 -26.788 1.00 -0.01 C HETATM 1981 CG1 ACE A 141 -3.166 27.222 -27.047 1.00 -0.06 C HETATM 1982 H24 ACE A 141 -2.576 27.378 -26.132 1.00 0.02 H HETATM 1983 H25 ACE A 141 -2.759 27.847 -27.856 1.00 0.02 H HETATM 1984 H26 ACE A 141 -3.115 26.163 -27.340 1.00 0.02 H HETATM 1985 CG2 ACE A 141 -4.708 29.063 -26.328 1.00 -0.06 C HETATM 1986 H27 ACE A 141 -5.761 29.325 -26.146 1.00 0.02 H HETATM 1987 H28 ACE A 141 -4.296 29.720 -27.108 1.00 0.02 H HETATM 1988 H29 ACE A 141 -4.132 29.190 -25.399 1.00 0.02 H HETATM 1989 H23 ACE A 141 -5.017 26.963 -25.991 1.00 0.03 H HETATM 1990 H22 ACE A 141 -5.075 28.053 -28.858 1.00 0.08 H HETATM 1991 H21 ACE A 141 -7.323 27.268 -27.048 1.00 0.19 H HETATM 1992 CB ACE A 141 -9.702 27.671 -29.520 1.00 -0.01 C HETATM 1993 CG ACE A 141 -11.196 27.778 -29.703 1.00 -0.02 C HETATM 1994 CD ACE A 141 -11.884 27.266 -28.474 1.00 0.06 C HETATM 1995 NE ACE A 141 -11.263 26.017 -28.054 1.00 -0.27 N HETATM 1996 CZ ACE A 141 -11.199 25.548 -26.813 1.00 0.29 C HETATM 1997 NH1 ACE A 141 -10.550 24.411 -26.601 1.00 -0.28 N HETATM 1998 H17 ACE A 141 -10.485 24.025 -25.648 1.00 0.26 H HETATM 1999 H18 ACE A 141 -10.111 23.914 -27.389 1.00 0.26 H HETATM 2000 NH2 ACE A 141 -11.770 26.186 -25.791 1.00 -0.28 N HETATM 2001 H19 ACE A 141 -12.275 27.069 -25.953 1.00 0.26 H HETATM 2002 H20 ACE A 141 -11.706 25.796 -24.840 1.00 0.26 H HETATM 2003 H16 ACE A 141 -10.832 25.442 -28.791 1.00 0.26 H HETATM 2004 H14 ACE A 141 -12.947 27.090 -28.695 1.00 0.07 H HETATM 2005 H15 ACE A 141 -11.795 28.009 -27.668 1.00 0.07 H HETATM 2006 H12 ACE A 141 -11.503 27.179 -30.573 1.00 0.03 H HETATM 2007 H13 ACE A 141 -11.472 28.830 -29.867 1.00 0.03 H HETATM 2008 H10 ACE A 141 -9.469 26.616 -29.312 1.00 0.03 H HETATM 2009 H11 ACE A 141 -9.230 27.971 -30.467 1.00 0.03 H HETATM 2010 H9 ACE A 141 -9.315 28.095 -27.413 1.00 0.08 H HETATM 2011 H8 ACE A 141 -9.272 30.433 -29.283 1.00 0.19 H HETATM 2012 H5 ACE A 141 -10.679 32.046 -28.964 1.00 0.08 H HETATM 2013 H4 ACE A 141 -12.242 32.493 -26.450 1.00 0.19 H CONECT 1 2 9 10 11 CONECT 9 1 CONECT 10 1 CONECT 11 1 CONECT 398 399 402 403 404 CONECT 402 398 CONECT 403 398 CONECT 404 398 CONECT 1770 1771 1772 1776 CONECT 1771 1770 CONECT 1772 1770 1773 1774 1775 CONECT 1773 1772 CONECT 1774 1772 CONECT 1775 1772 CONECT 1776 1770 1777 2013 CONECT 1777 1776 1778 1874 2012 CONECT 1778 1777 1779 1780 CONECT 1779 1778 CONECT 1780 1778 1781 2011 CONECT 1781 1780 1782 1992 2010 CONECT 1782 1781 1783 1784 CONECT 1783 1782 CONECT 1784 1782 1785 1991 CONECT 1785 1784 1786 1980 1990 CONECT 1786 1785 1787 1788 CONECT 1787 1786 CONECT 1788 1786 1789 1979 CONECT 1789 1788 1790 1972 1978 CONECT 1790 1789 1791 1792 CONECT 1791 1790 CONECT 1792 1790 1793 1971 CONECT 1793 1792 1794 1957 1970 CONECT 1794 1793 1795 1796 CONECT 1795 1794 CONECT 1796 1794 1797 1956 CONECT 1797 1796 1798 1944 1955 CONECT 1798 1797 1799 1800 CONECT 1799 1798 CONECT 1800 1798 1801 1943 CONECT 1801 1800 1802 1941 1942 CONECT 1802 1801 1803 1804 CONECT 1803 1802 CONECT 1804 1802 1805 1940 CONECT 1805 1804 1806 1921 1939 CONECT 1806 1805 1807 1808 CONECT 1807 1806 CONECT 1808 1806 1809 1920 CONECT 1809 1808 1810 1901 1919 CONECT 1810 1809 1811 1812 CONECT 1811 1810 CONECT 1812 1810 1813 1900 CONECT 1813 1812 1814 1881 1899 CONECT 1814 1813 1815 1816 CONECT 1815 1814 CONECT 1816 1814 1817 1880 CONECT 1817 1816 1818 1871 1879 CONECT 1818 1817 1819 1820 CONECT 1819 1818 CONECT 1820 1818 1821 1870 CONECT 1821 1820 1822 1851 1869 CONECT 1822 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 1825 1850 CONECT 1825 1824 1826 1831 1849 CONECT 1826 1825 1827 1828 CONECT 1827 1826 CONECT 1828 1826 1829 1830 CONECT 1829 1828 CONECT 1830 1828 CONECT 1831 1825 1832 1847 1848 CONECT 1832 1831 1833 1845 1846 CONECT 1833 1832 1834 1843 1844 CONECT 1834 1833 1835 1842 CONECT 1835 1834 1836 1839 CONECT 1836 1835 1837 1838 CONECT 1837 1836 CONECT 1838 1836 CONECT 1839 1835 1840 1841 CONECT 1840 1839 CONECT 1841 1839 CONECT 1842 1834 CONECT 1843 1833 CONECT 1844 1833 CONECT 1845 1832 CONECT 1846 1832 CONECT 1847 1831 CONECT 1848 1831 CONECT 1849 1825 CONECT 1850 1824 CONECT 1851 1821 1852 1867 1868 CONECT 1852 1851 1853 1865 1866 CONECT 1853 1852 1854 1863 1864 CONECT 1854 1853 1855 1862 CONECT 1855 1854 1856 1859 CONECT 1856 1855 1857 1858 CONECT 1857 1856 CONECT 1858 1856 CONECT 1859 1855 1860 1861 CONECT 1860 1859 CONECT 1861 1859 CONECT 1862 1854 CONECT 1863 1853 CONECT 1864 1853 CONECT 1865 1852 CONECT 1866 1852 CONECT 1867 1851 CONECT 1868 1851 CONECT 1869 1821 CONECT 1870 1820 CONECT 1871 1817 1872 1877 1878 CONECT 1872 1871 1873 CONECT 1873 1872 1874 CONECT 1874 1777 1873 1875 1876 CONECT 1875 1874 CONECT 1876 1874 CONECT 1877 1871 CONECT 1878 1871 CONECT 1879 1817 CONECT 1880 1816 CONECT 1881 1813 1882 1897 1898 CONECT 1882 1881 1883 1895 1896 CONECT 1883 1882 1884 1893 1894 CONECT 1884 1883 1885 1892 CONECT 1885 1884 1886 1889 CONECT 1886 1885 1887 1888 CONECT 1887 1886 CONECT 1888 1886 CONECT 1889 1885 1890 1891 CONECT 1890 1889 CONECT 1891 1889 CONECT 1892 1884 CONECT 1893 1883 CONECT 1894 1883 CONECT 1895 1882 CONECT 1896 1882 CONECT 1897 1881 CONECT 1898 1881 CONECT 1899 1813 CONECT 1900 1812 CONECT 1901 1809 1902 1917 1918 CONECT 1902 1901 1903 1915 1916 CONECT 1903 1902 1904 1913 1914 CONECT 1904 1903 1905 1912 CONECT 1905 1904 1906 1909 CONECT 1906 1905 1907 1908 CONECT 1907 1906 CONECT 1908 1906 CONECT 1909 1905 1910 1911 CONECT 1910 1909 CONECT 1911 1909 CONECT 1912 1904 CONECT 1913 1903 CONECT 1914 1903 CONECT 1915 1902 CONECT 1916 1902 CONECT 1917 1901 CONECT 1918 1901 CONECT 1919 1809 CONECT 1920 1808 CONECT 1921 1805 1922 1937 1938 CONECT 1922 1921 1923 1926 CONECT 1923 1922 1924 1936 CONECT 1924 1923 1925 1935 CONECT 1925 1924 1926 1930 CONECT 1926 1922 1925 1927 CONECT 1927 1926 1928 1934 CONECT 1928 1927 1929 1933 CONECT 1929 1928 1930 1932 CONECT 1930 1925 1929 1931 CONECT 1931 1930 CONECT 1932 1929 CONECT 1933 1928 CONECT 1934 1927 CONECT 1935 1924 CONECT 1936 1923 CONECT 1937 1921 CONECT 1938 1921 CONECT 1939 1805 CONECT 1940 1804 CONECT 1941 1801 CONECT 1942 1801 CONECT 1943 1800 CONECT 1944 1797 1945 1953 1954 CONECT 1945 1944 1946 1951 1952 CONECT 1946 1945 1947 1948 CONECT 1947 1946 CONECT 1948 1946 1949 1950 CONECT 1949 1948 CONECT 1950 1948 CONECT 1951 1945 CONECT 1952 1945 CONECT 1953 1944 CONECT 1954 1944 CONECT 1955 1797 CONECT 1956 1796 CONECT 1957 1793 1958 1968 1969 CONECT 1958 1957 1959 1963 1967 CONECT 1959 1958 1960 1961 1962 CONECT 1960 1959 CONECT 1961 1959 CONECT 1962 1959 CONECT 1963 1958 1964 1965 1966 CONECT 1964 1963 CONECT 1965 1963 CONECT 1966 1963 CONECT 1967 1958 CONECT 1968 1957 CONECT 1969 1957 CONECT 1970 1793 CONECT 1971 1792 CONECT 1972 1789 1973 1976 1977 CONECT 1973 1972 1974 1975 CONECT 1974 1973 CONECT 1975 1973 CONECT 1976 1972 CONECT 1977 1972 CONECT 1978 1789 CONECT 1979 1788 CONECT 1980 1785 1981 1985 1989 CONECT 1981 1980 1982 1983 1984 CONECT 1982 1981 CONECT 1983 1981 CONECT 1984 1981 CONECT 1985 1980 1986 1987 1988 CONECT 1986 1985 CONECT 1987 1985 CONECT 1988 1985 CONECT 1989 1980 CONECT 1990 1785 CONECT 1991 1784 CONECT 1992 1781 1993 2008 2009 CONECT 1993 1992 1994 2006 2007 CONECT 1994 1993 1995 2004 2005 CONECT 1995 1994 1996 2003 CONECT 1996 1995 1997 2000 CONECT 1997 1996 1998 1999 CONECT 1998 1997 CONECT 1999 1997 CONECT 2000 1996 2001 2002 CONECT 2001 2000 CONECT 2002 2000 CONECT 2003 1995 CONECT 2004 1994 CONECT 2005 1994 CONECT 2006 1993 CONECT 2007 1993 CONECT 2008 1992 CONECT 2009 1992 CONECT 2010 1781 CONECT 2011 1780 CONECT 2012 1777 CONECT 2013 1776 MASTER 0 0 0 0 0 0 0 0 2011 2 252 14 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 5h5q
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
No similar entries are found!
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a37
RCSB PDB
PDBbind
15-mer
1eol
RCSB PDB
PDBbind
15-mer
1j7z
RCSB PDB
PDBbind
15-mer
1j80
RCSB PDB
PDBbind
15-mer
1j81
RCSB PDB
PDBbind
15-mer
1jyc
RCSB PDB
PDBbind
15-mer
1kc5
RCSB PDB
PDBbind
15-mer
1kcs
RCSB PDB
PDBbind
15-mer
1klg
RCSB PDB
PDBbind
15-mer
1klu
RCSB PDB
PDBbind
15-mer
1kna
RCSB PDB
PDBbind
15-mer
1kne
RCSB PDB
PDBbind
15-mer
1om9
RCSB PDB
PDBbind
15-mer
1t08
RCSB PDB
PDBbind
15-mer
1t79
RCSB PDB
PDBbind
15-mer
1t7f
RCSB PDB
PDBbind
15-mer
1t7r
RCSB PDB
PDBbind
15-mer
1tet
RCSB PDB
PDBbind
15-mer
1w70
RCSB PDB
PDBbind
15-mer
1xhm
RCSB PDB
PDBbind
15-mer
2aq9
RCSB PDB
PDBbind
15-mer
2auc
RCSB PDB
PDBbind
15-mer
2bba
RCSB PDB
PDBbind
15-mer
2co0
RCSB PDB
PDBbind
15-mer
2d1x
RCSB PDB
PDBbind
15-mer
2f6j
RCSB PDB
PDBbind
15-mer
2fsa
RCSB PDB
PDBbind
15-mer
2fuu
RCSB PDB
PDBbind
15-mer
2jk9
RCSB PDB
PDBbind
15-mer
2k00
RCSB PDB
PDBbind
15-mer
2ksp
RCSB PDB
PDBbind
15-mer
2kwn
RCSB PDB
PDBbind
15-mer
2l11
RCSB PDB
PDBbind
15-mer
2l12
RCSB PDB
PDBbind
15-mer
2l1b
RCSB PDB
PDBbind
15-mer
2lbm
RCSB PDB
PDBbind
15-mer
2lgf
RCSB PDB
PDBbind
15-mer
2ltx
RCSB PDB
PDBbind
15-mer
2lty
RCSB PDB
PDBbind
15-mer
2ltz
RCSB PDB
PDBbind
15-mer
2m41
RCSB PDB
PDBbind
15-mer
2mwo
RCSB PDB
PDBbind
15-mer
2mwy
RCSB PDB
PDBbind
15-mer
2n9e
RCSB PDB
PDBbind
15-mer
2pmc
RCSB PDB
PDBbind
15-mer
2rnw
RCSB PDB
PDBbind
15-mer
2rny
RCSB PDB
PDBbind
15-mer
2vwf
RCSB PDB
PDBbind
15-mer
2w0p
RCSB PDB
PDBbind
15-mer
2xxn
RCSB PDB
PDBbind
15-mer
2z5s
RCSB PDB
PDBbind
15-mer
2z5t
RCSB PDB
PDBbind
15-mer
3b95
RCSB PDB
PDBbind
15-mer
3btr
RCSB PDB
PDBbind
15-mer
3bu6
RCSB PDB
PDBbind
15-mer
3cfs
RCSB PDB
PDBbind
15-mer
3dab
RCSB PDB
PDBbind
15-mer
3fdt
RCSB PDB
PDBbind
15-mer
3ghe
RCSB PDB
PDBbind
15-mer
3gv6
RCSB PDB
PDBbind
15-mer
3h1z
RCSB PDB
PDBbind
15-mer
3h91
RCSB PDB
PDBbind
15-mer
3hqh
RCSB PDB
PDBbind
15-mer
3jpx
RCSB PDB
PDBbind
15-mer
3l3q
RCSB PDB
PDBbind
15-mer
3l6f
RCSB PDB
PDBbind
15-mer
3m17
RCSB PDB
PDBbind
15-mer
3o6l
RCSB PDB
PDBbind
15-mer
3ql9
RCSB PDB
PDBbind
15-mer
3qlc
RCSB PDB
PDBbind
15-mer
3qo2
RCSB PDB
PDBbind
15-mer
3qxd
RCSB PDB
PDBbind
15-mer
3r93
RCSB PDB
PDBbind
15-mer
3uig
RCSB PDB
PDBbind
15-mer
3uih
RCSB PDB
PDBbind
15-mer
3uij
RCSB PDB
PDBbind
15-mer
3wp0
RCSB PDB
PDBbind
15-mer
3wsy
RCSB PDB
PDBbind
15-mer
4b4n
RCSB PDB
PDBbind
15-mer
4bxu
RCSB PDB
PDBbind
15-mer
4cy1
RCSB PDB
PDBbind
15-mer
4dma
RCSB PDB
PDBbind
15-mer
4dx9
RCSB PDB
PDBbind
15-mer
4ezo
RCSB PDB
PDBbind
15-mer
4ft2
RCSB PDB
PDBbind
15-mer
4gnf
RCSB PDB
PDBbind
15-mer
4gng
RCSB PDB
PDBbind
15-mer
4hfz
RCSB PDB
PDBbind
15-mer
4iur
RCSB PDB
PDBbind
15-mer
4iut
RCSB PDB
PDBbind
15-mer
4iuu
RCSB PDB
PDBbind
15-mer
4iuv
RCSB PDB
PDBbind
15-mer
4j8s
RCSB PDB
PDBbind
15-mer
4k0u
RCSB PDB
PDBbind
15-mer
4n3w
RCSB PDB
PDBbind
15-mer
4n5t
RCSB PDB
PDBbind
15-mer
4nb3
RCSB PDB
PDBbind
15-mer
4nmx
RCSB PDB
PDBbind
15-mer
4nw2
RCSB PDB
PDBbind
15-mer
4o36
RCSB PDB
PDBbind
15-mer
4o37
RCSB PDB
PDBbind
15-mer
4o3u
RCSB PDB
PDBbind
15-mer
4o42
RCSB PDB
PDBbind
15-mer
4o45
RCSB PDB
PDBbind
15-mer
4os1
RCSB PDB
PDBbind
15-mer
4os4
RCSB PDB
PDBbind
15-mer
4os5
RCSB PDB
PDBbind
15-mer
4os7
RCSB PDB
PDBbind
15-mer
4psx
RCSB PDB
PDBbind
15-mer
4r1e
RCSB PDB
PDBbind
15-mer
4r3s
RCSB PDB
PDBbind
15-mer
4rrv
RCSB PDB
PDBbind
15-mer
4u0a
RCSB PDB
PDBbind
15-mer
4u0b
RCSB PDB
PDBbind
15-mer
4u6x
RCSB PDB
PDBbind
15-mer
4u6y
RCSB PDB
PDBbind
15-mer
4xyn
RCSB PDB
PDBbind
15-mer
5cfa
RCSB PDB
PDBbind
15-mer
5cin
RCSB PDB
PDBbind
15-mer
5cqx
RCSB PDB
PDBbind
15-mer
5dif
RCSB PDB
PDBbind
15-mer
5epp
RCSB PDB
PDBbind
15-mer
5etf
RCSB PDB
PDBbind
15-mer
5fb0
RCSB PDB
PDBbind
15-mer
5fb1
RCSB PDB
PDBbind
15-mer
5h5r
RCSB PDB
PDBbind
15-mer
5ix1
RCSB PDB
PDBbind
15-mer
5izu
RCSB PDB
PDBbind
15-mer
5j19
RCSB PDB
PDBbind
15-mer
5j9k
RCSB PDB
PDBbind
15-mer
5jlz
RCSB PDB
PDBbind
15-mer
5ksu
RCSB PDB
PDBbind
15-mer
5ksv
RCSB PDB
PDBbind
15-mer
5kzp
RCSB PDB
PDBbind
15-mer
5lax
RCSB PDB
PDBbind
15-mer
5mlo
RCSB PDB
PDBbind
15-mer
5o45
RCSB PDB
PDBbind
15-mer
5svz
RCSB PDB
PDBbind
15-mer
5t1i
RCSB PDB
PDBbind
15-mer
5twg
RCSB PDB
PDBbind
15-mer
5u66
RCSB PDB
PDBbind
15-mer
5ul6
RCSB PDB
PDBbind
15-mer
5uwj
RCSB PDB
PDBbind
15-mer
5v4b
RCSB PDB
PDBbind
15-mer
5vb9
RCSB PDB
PDBbind
15-mer
5vzy
RCSB PDB
PDBbind
15-mer
5wir
RCSB PDB
PDBbind
15-mer
5ypo
RCSB PDB
PDBbind
15-mer
5znp
RCSB PDB
PDBbind
15-mer
5zuj
RCSB PDB
PDBbind
15-mer
6atv
RCSB PDB
PDBbind
15-mer
6b5m
RCSB PDB
PDBbind
15-mer
6b5o
RCSB PDB
PDBbind
15-mer
6b5r
RCSB PDB
PDBbind
15-mer
6b5t
RCSB PDB
PDBbind
15-mer
6biz
RCSB PDB
PDBbind
15-mer
6f0y
RCSB PDB
PDBbind
15-mer
6rmm
RCSB PDB
PDBbind
15-mer
6rml
RCSB PDB
PDBbind
15-mer
6q9t
RCSB PDB
PDBbind
15-mer
6hol
RCSB PDB
PDBbind
15-mer
6e5x
RCSB PDB
PDBbind
15-mer
6bnt
RCSB PDB
PDBbind
15-mer
5zk9
RCSB PDB
PDBbind
15-mer
5zjz
RCSB PDB
PDBbind
15-mer
5vtb
RCSB PDB
PDBbind
15-mer
6a5e
RCSB PDB
PDBbind
15-mer
Entry Information
PDB ID
5h5q
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
human phospholipid hydroperoxidase glutathione peroxidase (GPX4)
Ligand Name
15-mer
EC.Number
E.C.1.11.1.12
Resolution
1.1(Å)
Affinity (Kd/Ki/IC50)
Kd=1.8uM
Release Year
2016
Protein/NA Sequence
Check fasta file
Primary Reference
(2017) Biochem. Biophys. Res. Commun. Vol. 482: pp. 195-201
Ligand Properties
Formula
C
7
1
H
1
2
4
N
3
1
O
1
7
S
2
Molecular Weight
1748.070
Exact Mass
1746.920
No. of atoms
245
No. of bonds
247
Polar Surface Area
898.22
LOGP Value
3.12 (
Computed with XLOGP3
)
-6.48 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 17
No. of Rotatable Bonds: 38
No. of Nitrogen and Oxygen Atoms: 48
No. of Rings: 3
Canonical SMILES
NC(=O)CC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](CCC[NH+]=C(N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC1=O)Cc1c[nH]c2c1cccc2)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CCC[NH+]=C(N)N)CCC[NH+]=C(N)N)NC(=O)C)C(C)C
InChI String
InChI=1S/C71H119N31O17S2/c1-34(2)27-46-61(114)98-45(20-21-51(72)104)56(109)90-31-52(105)92-47(28-37-30-89-39-14-7-6-13-38(37)39)62(115)95-42(17-10-24-86-69(78)79)58(111)94-43(18-11-25-87-70(80)81)59(112)101-50(65(118)96-41(16-9-23-85-68(76)77)57(110)93-40(55(73)108)15-8-22-84-67(74)75)33-121-120-32-49(91-36(5)103)64(117)97-44(19-12-26-88-71(82)83)60(113)102-54(35(3)4)66(119)100-48(29-53(106)107)63(116)99-46/h6-7,13-14,30,34-35,40-50,54,89H,8-12,15-29,31-33H2,1-5H3,(H2,72,104)(H2,73,108)(H,90,109)(H,91,103)(H,92,105)(H,93,110)(H,94,111)(H,95,115)(H,96,118)(H,97,117)(H,98,114)(H,99,116)(H,100,119)(H,101,112)(H,102,113)(H,106,107)(H4,74,75,84)(H4,76,77,85)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)/p+5/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,54-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P36969
Entrez Gene ID
NCBI Entrez Gene ID:
2879
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com