Browse entries in the PDBbind-CN Database
HEADER 1U8T_COMPLEX COMPND 1U8T_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 125 ALA ASP LYS GLU LEU LYS PHE LEU VAL VAL ASP LYS PHE SEQRES 2 A 125 SER THR MSE ARG ARG ILE VAL ARG ASN LEU LEU LYS GLU SEQRES 3 A 125 LEU GLY PHE ASN ASN VAL GLU GLU ALA GLU ASP GLY VAL SEQRES 4 A 125 ASP ALA LEU ASN LYS LEU GLN ALA GLY GLY TYR GLY PHE SEQRES 5 A 125 VAL ILE SER ASP TRP ASN MSE PRO ASN MSE ASP GLY LEU SEQRES 6 A 125 GLU LEU LEU LYS THR ILE ARG ALA ASP GLY ALA MSE SER SEQRES 7 A 125 ALA LEU PRO VAL LEU MSE VAL THR ALA GLU ALA LYS LYS SEQRES 8 A 125 GLU ASN ILE ILE ALA ALA ALA GLN ALA GLY ALA SER GLY SEQRES 9 A 125 TRP VAL VAL LYS PRO PHE THR ALA ALA THR LEU GLU GLU SEQRES 10 A 125 LYS LEU ASN LYS ILE PHE GLU LYS HET MSE A 17 17 HET MSE A 60 17 HET MSE A 63 17 HET MSE A 78 17 HET MSE A 85 17 HET SER A 17 198 HET MSE A 129 5 ATOM 1 N ALA A 2 -5.290 13.770 35.624 1.00 29.30 N ATOM 2 CA ALA A 2 -5.266 13.461 37.041 1.00 30.69 C ATOM 3 C ALA A 2 -6.362 14.192 37.805 1.00 23.77 C ATOM 4 O ALA A 2 -6.997 15.107 37.290 1.00 32.01 O ATOM 5 CB ALA A 2 -3.899 13.760 37.637 1.00 32.98 C ATOM 6 HA ALA A 2 -5.461 12.393 37.141 1.00 0.00 H ATOM 7 HB1 ALA A 2 -3.144 13.157 37.133 1.00 0.00 H ATOM 8 HB2 ALA A 2 -3.669 14.817 37.504 1.00 0.00 H ATOM 9 HB3 ALA A 2 -3.907 13.520 38.700 1.00 0.00 H ATOM 10 HN3 ALA A 2 -5.152 14.792 35.491 1.00 0.00 H ATOM 11 HN2 ALA A 2 -6.208 13.488 35.224 1.00 0.00 H ATOM 12 HN1 ALA A 2 -4.527 13.251 35.144 1.00 0.00 H ATOM 13 N ASP A 3 -6.577 13.766 39.044 1.00 23.83 N ATOM 14 CA ASP A 3 -7.573 14.361 39.910 1.00 23.65 C ATOM 15 C ASP A 3 -7.273 15.844 40.058 1.00 27.09 C ATOM 16 O ASP A 3 -6.241 16.221 40.608 1.00 23.52 O ATOM 17 CB ASP A 3 -7.550 13.646 41.278 1.00 22.17 C ATOM 18 CG ASP A 3 -8.501 14.190 42.306 1.00 23.46 C ATOM 19 OD1 ASP A 3 -8.512 13.799 43.458 1.00 43.11 O ATOM 20 OD2 ASP A 3 -9.302 15.115 41.845 1.00 23.48 O ATOM 21 HA ASP A 3 -8.570 14.249 39.483 1.00 0.00 H ATOM 22 HB2 ASP A 3 -7.796 12.597 41.114 1.00 0.00 H ATOM 23 HB3 ASP A 3 -6.540 13.722 41.680 1.00 0.00 H ATOM 24 H ASP A 3 -6.008 12.974 39.406 1.00 0.00 H ATOM 25 N LYS A 4 -8.163 16.687 39.546 1.00 20.17 N ATOM 26 CA LYS A 4 -7.968 18.126 39.617 1.00 22.35 C ATOM 27 C LYS A 4 -7.872 18.631 41.042 1.00 24.85 C ATOM 28 O LYS A 4 -7.401 19.742 41.305 1.00 24.29 O ATOM 29 CB LYS A 4 -9.040 18.891 38.858 1.00 32.36 C ATOM 30 CG LYS A 4 -9.098 18.518 37.388 1.00 72.67 C ATOM 31 CD LYS A 4 -7.904 19.028 36.600 1.00 65.15 C ATOM 32 CE LYS A 4 -7.987 18.688 35.121 1.00 88.85 C ATOM 33 NZ LYS A 4 -6.849 19.208 34.351 1.00100.00 N ATOM 34 HA LYS A 4 -7.010 18.315 39.132 1.00 0.00 H ATOM 35 HB2 LYS A 4 -10.008 18.676 39.311 1.00 0.00 H ATOM 36 HB3 LYS A 4 -8.831 19.958 38.939 1.00 0.00 H ATOM 37 HG2 LYS A 4 -9.131 17.432 37.306 1.00 0.00 H ATOM 38 HG3 LYS A 4 -10.005 18.941 36.957 1.00 0.00 H ATOM 39 HD2 LYS A 4 -7.853 20.112 36.706 1.00 0.00 H ATOM 40 HD3 LYS A 4 -6.999 18.581 37.010 1.00 0.00 H ATOM 41 HE2 LYS A 4 -8.905 19.114 34.717 1.00 0.00 H ATOM 42 HE3 LYS A 4 -8.014 17.604 35.014 1.00 0.00 H ATOM 43 HZ1 LYS A 4 -6.818 20.244 34.438 1.00 0.00 H ATOM 44 HZ2 LYS A 4 -5.966 18.801 34.721 1.00 0.00 H ATOM 45 HZ3 LYS A 4 -6.960 18.946 33.351 1.00 0.00 H ATOM 46 H LYS A 4 -9.016 16.310 39.085 1.00 0.00 H ATOM 47 N GLU A 5 -8.337 17.804 41.964 1.00 26.33 N ATOM 48 CA GLU A 5 -8.319 18.160 43.364 1.00 29.08 C ATOM 49 C GLU A 5 -7.066 17.670 44.080 1.00 23.40 C ATOM 50 O GLU A 5 -6.888 17.902 45.272 1.00 23.53 O ATOM 51 CB GLU A 5 -9.618 17.737 44.079 1.00 34.72 C ATOM 52 CG GLU A 5 -10.689 18.854 44.146 1.00 57.66 C ATOM 53 CD GLU A 5 -10.723 19.794 42.966 1.00 70.75 C ATOM 54 OE1 GLU A 5 -11.609 19.793 42.134 1.00 68.40 O ATOM 55 OE2 GLU A 5 -9.731 20.648 42.949 1.00 54.00 O ATOM 56 HA GLU A 5 -8.277 19.248 43.410 1.00 0.00 H ATOM 57 HB2 GLU A 5 -10.042 16.886 43.546 1.00 0.00 H ATOM 58 HB3 GLU A 5 -9.368 17.439 45.097 1.00 0.00 H ATOM 59 HG2 GLU A 5 -11.666 18.378 44.225 1.00 0.00 H ATOM 60 HG3 GLU A 5 -10.501 19.446 45.042 1.00 0.00 H ATOM 61 H GLU A 5 -8.722 16.882 41.676 1.00 0.00 H ATOM 62 N LEU A 6 -6.193 17.004 43.331 1.00 18.64 N ATOM 63 CA LEU A 6 -4.945 16.480 43.858 1.00 18.56 C ATOM 64 C LEU A 6 -4.199 17.568 44.617 1.00 21.33 C ATOM 65 O LEU A 6 -4.012 18.671 44.100 1.00 17.94 O ATOM 66 CB LEU A 6 -4.079 15.918 42.711 1.00 19.26 C ATOM 67 CG LEU A 6 -2.869 15.107 43.169 1.00 30.65 C ATOM 68 CD1 LEU A 6 -3.311 13.759 43.734 1.00 35.60 C ATOM 69 CD2 LEU A 6 -1.924 14.895 41.990 1.00 26.67 C ATOM 70 HA LEU A 6 -5.164 15.668 44.551 1.00 0.00 H ATOM 71 HB2 LEU A 6 -4.707 15.275 42.094 1.00 0.00 H ATOM 72 HB3 LEU A 6 -3.721 16.756 42.113 1.00 0.00 H ATOM 73 HG LEU A 6 -2.351 15.656 43.955 1.00 0.00 H ATOM 74 HD21 LEU A 6 -2.446 14.355 41.200 1.00 0.00 H ATOM 75 HD22 LEU A 6 -1.593 15.863 41.613 1.00 0.00 H ATOM 76 HD23 LEU A 6 -1.061 14.316 42.318 1.00 0.00 H ATOM 77 HD11 LEU A 6 -3.971 13.922 44.586 1.00 0.00 H ATOM 78 HD12 LEU A 6 -3.842 13.200 42.963 1.00 0.00 H ATOM 79 HD13 LEU A 6 -2.435 13.196 44.055 1.00 0.00 H ATOM 80 H LEU A 6 -6.413 16.852 42.326 1.00 0.00 H ATOM 81 N LYS A 7 -3.785 17.262 45.848 1.00 21.11 N ATOM 82 CA LYS A 7 -3.068 18.224 46.665 1.00 17.38 C ATOM 83 C LYS A 7 -1.556 18.182 46.450 1.00 22.46 C ATOM 84 O LYS A 7 -0.903 17.164 46.694 1.00 16.58 O ATOM 85 CB LYS A 7 -3.424 18.128 48.140 1.00 16.46 C ATOM 86 CG LYS A 7 -2.971 19.356 48.906 1.00 14.80 C ATOM 87 CD LYS A 7 -3.460 19.396 50.342 1.00 28.14 C ATOM 88 CE LYS A 7 -2.793 20.500 51.148 1.00 41.63 C ATOM 89 NZ LYS A 7 -3.645 21.023 52.227 1.00 56.73 N ATOM 90 HA LYS A 7 -3.407 19.201 46.319 1.00 0.00 H ATOM 91 HB2 LYS A 7 -4.505 18.029 48.237 1.00 0.00 H ATOM 92 HB3 LYS A 7 -2.940 17.248 48.564 1.00 0.00 H ATOM 93 HG2 LYS A 7 -1.881 19.375 48.913 1.00 0.00 H ATOM 94 HG3 LYS A 7 -3.345 20.241 48.390 1.00 0.00 H ATOM 95 HD2 LYS A 7 -4.537 19.564 50.341 1.00 0.00 H ATOM 96 HD3 LYS A 7 -3.243 18.437 50.813 1.00 0.00 H ATOM 97 HE2 LYS A 7 -2.544 21.320 50.474 1.00 0.00 H ATOM 98 HE3 LYS A 7 -1.878 20.104 51.589 1.00 0.00 H ATOM 99 HZ1 LYS A 7 -4.518 21.414 51.819 1.00 0.00 H ATOM 100 HZ2 LYS A 7 -3.883 20.252 52.884 1.00 0.00 H ATOM 101 HZ3 LYS A 7 -3.135 21.771 52.738 1.00 0.00 H ATOM 102 H LYS A 7 -3.980 16.315 46.230 1.00 0.00 H ATOM 103 N PHE A 8 -1.009 19.314 45.992 1.00 13.28 N ATOM 104 CA PHE A 8 0.418 19.437 45.730 1.00 12.11 C ATOM 105 C PHE A 8 1.134 20.212 46.825 1.00 15.19 C ATOM 106 O PHE A 8 0.579 21.136 47.422 1.00 15.36 O ATOM 107 CB PHE A 8 0.677 20.207 44.415 1.00 15.18 C ATOM 108 CG PHE A 8 0.342 19.441 43.161 1.00 14.57 C ATOM 109 CD1 PHE A 8 -0.986 19.286 42.764 1.00 16.67 C ATOM 110 CD2 PHE A 8 1.348 18.885 42.370 1.00 16.69 C ATOM 111 CE1 PHE A 8 -1.310 18.582 41.604 1.00 14.92 C ATOM 112 CE2 PHE A 8 1.044 18.170 41.210 1.00 18.42 C ATOM 113 CZ PHE A 8 -0.290 18.024 40.833 1.00 16.70 C ATOM 114 HA PHE A 8 0.796 18.416 45.675 1.00 0.00 H ATOM 115 HB2 PHE A 8 0.075 21.116 44.429 1.00 0.00 H ATOM 116 HB3 PHE A 8 1.734 20.473 44.379 1.00 0.00 H ATOM 117 HD2 PHE A 8 2.390 19.011 42.663 1.00 0.00 H ATOM 118 HE2 PHE A 8 1.839 17.732 40.607 1.00 0.00 H ATOM 119 HZ PHE A 8 -0.538 17.469 39.928 1.00 0.00 H ATOM 120 HE1 PHE A 8 -2.351 18.469 41.303 1.00 0.00 H ATOM 121 HD1 PHE A 8 -1.782 19.721 43.369 1.00 0.00 H ATOM 122 H PHE A 8 -1.624 20.134 45.817 1.00 0.00 H ATOM 123 N LEU A 9 2.395 19.850 47.050 1.00 12.79 N ATOM 124 CA LEU A 9 3.243 20.528 48.010 1.00 8.87 C ATOM 125 C LEU A 9 4.451 21.035 47.232 1.00 13.17 C ATOM 126 O LEU A 9 5.200 20.241 46.662 1.00 12.29 O ATOM 127 CB LEU A 9 3.664 19.643 49.202 1.00 12.15 C ATOM 128 CG LEU A 9 4.464 20.397 50.263 1.00 17.81 C ATOM 129 CD1 LEU A 9 3.578 21.420 50.968 1.00 16.70 C ATOM 130 CD2 LEU A 9 5.036 19.421 51.294 1.00 14.86 C ATOM 131 HA LEU A 9 2.689 21.345 48.472 1.00 0.00 H ATOM 132 HB2 LEU A 9 2.765 19.240 49.668 1.00 0.00 H ATOM 133 HB3 LEU A 9 4.275 18.823 48.825 1.00 0.00 H ATOM 134 HG LEU A 9 5.285 20.915 49.767 1.00 0.00 H ATOM 135 HD21 LEU A 9 4.219 18.886 51.778 1.00 0.00 H ATOM 136 HD22 LEU A 9 5.692 18.709 50.793 1.00 0.00 H ATOM 137 HD23 LEU A 9 5.603 19.975 52.042 1.00 0.00 H ATOM 138 HD11 LEU A 9 3.196 22.133 50.237 1.00 0.00 H ATOM 139 HD12 LEU A 9 2.744 20.907 51.448 1.00 0.00 H ATOM 140 HD13 LEU A 9 4.163 21.948 51.721 1.00 0.00 H ATOM 141 H LEU A 9 2.787 19.049 46.516 1.00 0.00 H ATOM 142 N VAL A 10 4.596 22.363 47.180 1.00 11.15 N ATOM 143 CA VAL A 10 5.680 23.017 46.466 1.00 12.02 C ATOM 144 C VAL A 10 6.728 23.478 47.455 1.00 12.39 C ATOM 145 O VAL A 10 6.454 24.345 48.284 1.00 13.49 O ATOM 146 CB VAL A 10 5.162 24.162 45.605 1.00 14.40 C ATOM 147 CG1 VAL A 10 6.315 24.881 44.914 1.00 12.32 C ATOM 148 CG2 VAL A 10 4.204 23.603 44.551 1.00 15.93 C ATOM 149 HA VAL A 10 6.143 22.304 45.784 1.00 0.00 H ATOM 150 HB VAL A 10 4.642 24.876 46.243 1.00 0.00 H ATOM 151 HG11 VAL A 10 6.993 25.284 45.666 1.00 0.00 H ATOM 152 HG12 VAL A 10 6.852 24.177 44.279 1.00 0.00 H ATOM 153 HG13 VAL A 10 5.921 25.695 44.305 1.00 0.00 H ATOM 154 HG21 VAL A 10 4.733 22.884 43.926 1.00 0.00 H ATOM 155 HG22 VAL A 10 3.368 23.109 45.047 1.00 0.00 H ATOM 156 HG23 VAL A 10 3.831 24.419 43.932 1.00 0.00 H ATOM 157 H VAL A 10 3.900 22.957 47.674 1.00 0.00 H ATOM 158 N VAL A 11 7.910 22.861 47.358 1.00 11.60 N ATOM 159 CA VAL A 11 9.024 23.119 48.252 1.00 9.42 C ATOM 160 C VAL A 11 10.215 23.799 47.590 1.00 11.56 C ATOM 161 O VAL A 11 10.885 23.227 46.743 1.00 13.57 O ATOM 162 CB VAL A 11 9.468 21.813 48.907 1.00 13.78 C ATOM 163 CG1 VAL A 11 10.212 22.102 50.201 1.00 16.10 C ATOM 164 CG2 VAL A 11 8.270 20.925 49.211 1.00 11.06 C ATOM 165 HA VAL A 11 8.657 23.823 48.999 1.00 0.00 H ATOM 166 HB VAL A 11 10.127 21.296 48.210 1.00 0.00 H ATOM 167 HG11 VAL A 11 11.090 22.711 49.986 1.00 0.00 H ATOM 168 HG12 VAL A 11 9.555 22.639 50.884 1.00 0.00 H ATOM 169 HG13 VAL A 11 10.523 21.162 50.658 1.00 0.00 H ATOM 170 HG21 VAL A 11 7.595 21.447 49.890 1.00 0.00 H ATOM 171 HG22 VAL A 11 7.747 20.693 48.283 1.00 0.00 H ATOM 172 HG23 VAL A 11 8.613 20.001 49.677 1.00 0.00 H ATOM 173 H VAL A 11 8.038 22.159 46.602 1.00 0.00 H ATOM 174 N ASP A 12 10.474 25.034 48.001 1.00 12.72 N ATOM 175 CA ASP A 12 11.578 25.827 47.495 1.00 12.61 C ATOM 176 C ASP A 12 11.809 27.002 48.419 1.00 13.83 C ATOM 177 O ASP A 12 10.854 27.580 48.935 1.00 13.30 O ATOM 178 CB ASP A 12 11.386 26.307 46.038 1.00 15.47 C ATOM 179 CG ASP A 12 12.682 26.645 45.335 1.00 15.52 C ATOM 180 OD1 ASP A 12 13.172 25.951 44.466 1.00 12.48 O ATOM 181 OD2 ASP A 12 13.219 27.773 45.732 1.00 16.67 O ATOM 182 HA ASP A 12 12.455 25.180 47.474 1.00 0.00 H ATOM 183 HB2 ASP A 12 10.886 25.517 45.478 1.00 0.00 H ATOM 184 HB3 ASP A 12 10.757 27.197 46.048 1.00 0.00 H ATOM 185 H ASP A 12 9.854 25.454 48.722 1.00 0.00 H ATOM 186 N LYS A 13 13.070 27.354 48.632 1.00 14.27 N ATOM 187 CA LYS A 13 13.359 28.459 49.516 1.00 21.78 C ATOM 188 C LYS A 13 12.901 29.797 48.956 1.00 18.11 C ATOM 189 O LYS A 13 12.654 30.733 49.706 1.00 19.25 O ATOM 190 CB LYS A 13 14.827 28.499 49.904 1.00 26.95 C ATOM 191 CG LYS A 13 15.422 29.889 49.802 1.00 39.99 C ATOM 192 CD LYS A 13 16.875 29.942 50.239 1.00 79.21 C ATOM 193 CE LYS A 13 17.449 31.349 50.204 1.00100.00 C ATOM 194 NZ LYS A 13 18.881 31.399 50.535 1.00100.00 N ATOM 195 HA LYS A 13 12.778 28.283 50.421 1.00 0.00 H ATOM 196 HB2 LYS A 13 14.926 28.152 50.933 1.00 0.00 H ATOM 197 HB3 LYS A 13 15.381 27.833 49.242 1.00 0.00 H ATOM 198 HG2 LYS A 13 15.358 30.220 48.766 1.00 0.00 H ATOM 199 HG3 LYS A 13 14.843 30.563 50.434 1.00 0.00 H ATOM 200 HD2 LYS A 13 16.947 29.561 51.258 1.00 0.00 H ATOM 201 HD3 LYS A 13 17.462 29.309 49.574 1.00 0.00 H ATOM 202 HE2 LYS A 13 16.906 31.963 50.922 1.00 0.00 H ATOM 203 HE3 LYS A 13 17.310 31.755 49.202 1.00 0.00 H ATOM 204 HZ1 LYS A 13 19.027 31.023 51.494 1.00 0.00 H ATOM 205 HZ2 LYS A 13 19.414 30.825 49.851 1.00 0.00 H ATOM 206 HZ3 LYS A 13 19.211 32.384 50.494 1.00 0.00 H ATOM 207 H LYS A 13 13.844 26.839 48.166 1.00 0.00 H ATOM 208 N PHE A 14 12.797 29.889 47.633 1.00 12.79 N ATOM 209 CA PHE A 14 12.403 31.135 46.997 1.00 12.63 C ATOM 210 C PHE A 14 10.915 31.238 46.701 1.00 15.06 C ATOM 211 O PHE A 14 10.381 30.455 45.929 1.00 16.94 O ATOM 212 CB PHE A 14 13.189 31.346 45.690 1.00 15.62 C ATOM 213 CG PHE A 14 14.660 31.605 45.899 1.00 22.54 C ATOM 214 CD1 PHE A 14 15.603 30.604 45.671 1.00 36.02 C ATOM 215 CD2 PHE A 14 15.106 32.858 46.321 1.00 35.87 C ATOM 216 CE1 PHE A 14 16.966 30.839 45.856 1.00 40.32 C ATOM 217 CE2 PHE A 14 16.465 33.112 46.514 1.00 39.00 C ATOM 218 CZ PHE A 14 17.393 32.098 46.280 1.00 34.76 C ATOM 219 HA PHE A 14 12.638 31.915 47.721 1.00 0.00 H ATOM 220 HB2 PHE A 14 13.081 30.452 45.076 1.00 0.00 H ATOM 221 HB3 PHE A 14 12.761 32.200 45.165 1.00 0.00 H ATOM 222 HD2 PHE A 14 14.381 33.652 46.503 1.00 0.00 H ATOM 223 HE2 PHE A 14 16.798 34.096 46.845 1.00 0.00 H ATOM 224 HZ PHE A 14 18.456 32.289 46.429 1.00 0.00 H ATOM 225 HE1 PHE A 14 17.691 30.046 45.671 1.00 0.00 H ATOM 226 HD1 PHE A 14 15.270 29.620 45.342 1.00 0.00 H ATOM 227 H PHE A 14 13.001 29.056 47.044 1.00 0.00 H ATOM 228 N SER A 15 10.239 32.222 47.282 1.00 18.16 N ATOM 229 CA SER A 15 8.816 32.362 47.009 1.00 16.86 C ATOM 230 C SER A 15 8.525 32.571 45.535 1.00 19.05 C ATOM 231 O SER A 15 7.485 32.165 45.026 1.00 19.49 O ATOM 232 CB SER A 15 8.124 33.394 47.874 1.00 24.88 C ATOM 233 OG SER A 15 8.959 34.518 48.005 1.00 36.04 O ATOM 234 HA SER A 15 8.380 31.403 47.291 1.00 0.00 H ATOM 235 HB2 SER A 15 7.924 32.971 48.858 1.00 0.00 H ATOM 236 HB3 SER A 15 7.184 33.690 47.409 1.00 0.00 H ATOM 237 HG SER A 15 9.812 34.246 48.427 1.00 0.00 H ATOM 238 H SER A 15 10.720 32.884 47.924 1.00 0.00 H ATOM 239 N THR A 16 9.456 33.203 44.834 1.00 16.28 N ATOM 240 CA THR A 16 9.281 33.435 43.418 1.00 13.85 C ATOM 241 C THR A 16 9.189 32.124 42.653 1.00 21.92 C ATOM 242 O THR A 16 8.323 31.945 41.791 1.00 18.62 O ATOM 243 CB THR A 16 10.352 34.367 42.844 1.00 17.89 C ATOM 244 OG1 THR A 16 10.093 35.671 43.316 1.00 25.61 O ATOM 245 CG2 THR A 16 10.316 34.335 41.323 1.00 15.60 C ATOM 246 HA THR A 16 8.330 33.953 43.291 1.00 0.00 H ATOM 247 HB THR A 16 11.344 34.045 43.161 1.00 0.00 H ATOM 248 HG1 THR A 16 9.194 35.957 43.016 1.00 0.00 H ATOM 249 HG23 THR A 16 10.518 33.321 40.977 1.00 0.00 H ATOM 250 HG21 THR A 16 9.331 34.649 40.977 1.00 0.00 H ATOM 251 HG22 THR A 16 11.073 35.012 40.929 1.00 0.00 H ATOM 252 H THR A 16 10.320 33.535 45.307 1.00 0.00 H HETATM 253 N MSE A 17 10.083 31.191 42.990 1.00 15.03 N HETATM 254 CA MSE A 17 10.054 29.895 42.342 1.00 13.59 C HETATM 255 C MSE A 17 8.769 29.161 42.712 1.00 11.07 C HETATM 256 O MSE A 17 8.134 28.525 41.876 1.00 12.70 O HETATM 257 CB MSE A 17 11.263 29.053 42.709 1.00 17.00 C HETATM 258 CG MSE A 17 11.277 27.662 42.119 1.00 16.44 C HETATM 259 SE MSE A 17 11.172 27.644 40.177 1.00 26.03 S HETATM 260 CE MSE A 17 12.643 28.821 39.812 1.00 17.61 C HETATM 261 HE3 MSE A 17 12.751 28.942 38.734 1.00 0.00 H HETATM 262 HE2 MSE A 17 13.558 28.396 40.224 1.00 0.00 H HETATM 263 HE1 MSE A 17 12.453 29.791 40.271 1.00 0.00 H HETATM 264 HG2 MSE A 17 12.201 27.168 42.420 1.00 0.00 H HETATM 265 HG1 MSE A 17 10.426 27.110 42.516 1.00 0.00 H HETATM 266 HB2 MSE A 17 11.293 28.960 43.795 1.00 0.00 H HETATM 267 HB1 MSE A 17 12.156 29.575 42.365 1.00 0.00 H HETATM 268 HA MSE A 17 10.084 30.059 41.265 1.00 0.00 H HETATM 269 H MSE A 17 10.799 31.394 43.716 1.00 0.00 H ATOM 270 N ARG A 18 8.374 29.253 43.982 1.00 12.59 N ATOM 271 CA ARG A 18 7.143 28.607 44.406 1.00 13.95 C ATOM 272 C ARG A 18 5.977 29.176 43.611 1.00 16.70 C ATOM 273 O ARG A 18 5.052 28.473 43.213 1.00 15.31 O ATOM 274 CB ARG A 18 6.889 28.739 45.906 1.00 12.18 C ATOM 275 CG ARG A 18 8.004 28.118 46.744 1.00 13.89 C ATOM 276 CD ARG A 18 7.614 27.925 48.207 1.00 12.87 C ATOM 277 NE ARG A 18 7.112 29.152 48.812 1.00 16.39 N ATOM 278 CZ ARG A 18 7.878 30.020 49.460 1.00 26.15 C ATOM 279 NH1 ARG A 18 9.184 29.811 49.616 1.00 17.91 N ATOM 280 NH2 ARG A 18 7.329 31.116 49.972 1.00 23.80 N ATOM 281 HA ARG A 18 7.244 27.540 44.208 1.00 0.00 H ATOM 282 HB2 ARG A 18 6.811 29.797 46.156 1.00 0.00 H ATOM 283 HB3 ARG A 18 5.950 28.240 46.147 1.00 0.00 H ATOM 284 HG2 ARG A 18 8.257 27.146 46.321 1.00 0.00 H ATOM 285 HG3 ARG A 18 8.876 28.770 46.700 1.00 0.00 H ATOM 286 HD2 ARG A 18 8.491 27.593 48.763 1.00 0.00 H ATOM 287 HD3 ARG A 18 6.838 27.162 48.265 1.00 0.00 H ATOM 288 HE ARG A 18 6.096 29.359 48.731 1.00 0.00 H ATOM 289 HH12 ARG A 18 9.764 30.506 50.128 1.00 0.00 H ATOM 290 HH11 ARG A 18 9.624 28.953 49.226 1.00 0.00 H ATOM 291 HH22 ARG A 18 7.919 31.804 50.482 1.00 0.00 H ATOM 292 HH21 ARG A 18 6.309 31.286 49.863 1.00 0.00 H ATOM 293 H ARG A 18 8.946 29.786 44.668 1.00 0.00 H ATOM 294 N ARG A 19 6.037 30.481 43.383 1.00 14.01 N ATOM 295 CA ARG A 19 5.017 31.183 42.637 1.00 13.80 C ATOM 296 C ARG A 19 4.928 30.657 41.212 1.00 14.02 C ATOM 297 O ARG A 19 3.853 30.374 40.681 1.00 15.88 O ATOM 298 CB ARG A 19 5.292 32.679 42.667 1.00 19.88 C ATOM 299 CG ARG A 19 4.058 33.506 42.352 1.00 36.18 C ATOM 300 CD ARG A 19 4.099 34.894 42.969 1.00 25.34 C ATOM 301 NE ARG A 19 2.931 35.671 42.585 1.00 27.82 N ATOM 302 CZ ARG A 19 2.214 36.392 43.431 1.00 23.59 C ATOM 303 NH1 ARG A 19 2.523 36.465 44.716 1.00 19.85 N ATOM 304 NH2 ARG A 19 1.159 37.061 42.969 1.00 36.31 N ATOM 305 HA ARG A 19 4.049 31.005 43.106 1.00 0.00 H ATOM 306 HB2 ARG A 19 5.649 32.949 43.661 1.00 0.00 H ATOM 307 HB3 ARG A 19 6.063 32.907 41.931 1.00 0.00 H ATOM 308 HG2 ARG A 19 3.976 33.609 41.270 1.00 0.00 H ATOM 309 HG3 ARG A 19 3.182 32.982 42.734 1.00 0.00 H ATOM 310 HD2 ARG A 19 4.997 35.409 42.629 1.00 0.00 H ATOM 311 HD3 ARG A 19 4.124 34.801 44.055 1.00 0.00 H ATOM 312 HE ARG A 19 2.642 35.659 41.586 1.00 0.00 H ATOM 313 HH12 ARG A 19 1.942 37.040 45.359 1.00 0.00 H ATOM 314 HH11 ARG A 19 3.347 35.948 45.083 1.00 0.00 H ATOM 315 HH22 ARG A 19 0.582 37.634 43.617 1.00 0.00 H ATOM 316 HH21 ARG A 19 0.912 37.011 41.960 1.00 0.00 H ATOM 317 H ARG A 19 6.846 31.018 43.754 1.00 0.00 H ATOM 318 N ILE A 20 6.089 30.509 40.589 1.00 11.51 N ATOM 319 CA ILE A 20 6.152 29.995 39.234 1.00 12.95 C ATOM 320 C ILE A 20 5.512 28.617 39.150 1.00 13.81 C ATOM 321 O ILE A 20 4.684 28.343 38.282 1.00 14.43 O ATOM 322 CB ILE A 20 7.595 29.917 38.749 1.00 14.45 C ATOM 323 CG1 ILE A 20 8.176 31.317 38.595 1.00 15.06 C ATOM 324 CG2 ILE A 20 7.677 29.149 37.434 1.00 16.61 C ATOM 325 CD1 ILE A 20 9.668 31.296 38.273 1.00 20.50 C ATOM 326 HA ILE A 20 5.601 30.683 38.593 1.00 0.00 H ATOM 327 HB ILE A 20 8.184 29.380 39.492 1.00 0.00 H ATOM 328 HG12 ILE A 20 7.651 31.827 37.788 1.00 0.00 H ATOM 329 HG13 ILE A 20 8.026 31.863 39.527 1.00 0.00 H ATOM 330 HD11 ILE A 20 10.205 30.795 39.078 1.00 0.00 H ATOM 331 HD12 ILE A 20 9.829 30.759 37.338 1.00 0.00 H ATOM 332 HD13 ILE A 20 10.031 32.319 38.174 1.00 0.00 H ATOM 333 HG21 ILE A 20 7.298 28.138 37.581 1.00 0.00 H ATOM 334 HG22 ILE A 20 7.077 29.658 36.680 1.00 0.00 H ATOM 335 HG23 ILE A 20 8.715 29.105 37.105 1.00 0.00 H ATOM 336 H ILE A 20 6.969 30.766 41.080 1.00 0.00 H ATOM 337 N VAL A 21 5.913 27.734 40.065 1.00 12.07 N ATOM 338 CA VAL A 21 5.368 26.392 40.067 1.00 12.16 C ATOM 339 C VAL A 21 3.870 26.416 40.324 1.00 12.26 C ATOM 340 O VAL A 21 3.094 25.757 39.638 1.00 13.14 O ATOM 341 CB VAL A 21 6.101 25.437 41.004 1.00 15.69 C ATOM 342 CG1 VAL A 21 5.421 24.069 40.966 1.00 13.53 C ATOM 343 CG2 VAL A 21 7.567 25.305 40.587 1.00 10.70 C ATOM 344 HA VAL A 21 5.532 25.988 39.068 1.00 0.00 H ATOM 345 HB VAL A 21 6.064 25.833 42.019 1.00 0.00 H ATOM 346 HG11 VAL A 21 4.384 24.171 41.287 1.00 0.00 H ATOM 347 HG12 VAL A 21 5.451 23.678 39.949 1.00 0.00 H ATOM 348 HG13 VAL A 21 5.944 23.386 41.635 1.00 0.00 H ATOM 349 HG21 VAL A 21 7.621 24.917 39.570 1.00 0.00 H ATOM 350 HG22 VAL A 21 8.045 26.284 40.630 1.00 0.00 H ATOM 351 HG23 VAL A 21 8.076 24.620 41.265 1.00 0.00 H ATOM 352 H VAL A 21 6.618 28.009 40.778 1.00 0.00 H ATOM 353 N ARG A 22 3.464 27.204 41.307 1.00 11.08 N ATOM 354 CA ARG A 22 2.053 27.298 41.624 1.00 12.55 C ATOM 355 C ARG A 22 1.231 27.772 40.428 1.00 15.72 C ATOM 356 O ARG A 22 0.157 27.252 40.137 1.00 14.89 O ATOM 357 CB ARG A 22 1.811 28.175 42.841 1.00 12.57 C ATOM 358 CG ARG A 22 0.331 28.280 43.184 1.00 20.52 C ATOM 359 CD ARG A 22 0.024 29.415 44.149 1.00 19.52 C ATOM 360 NE ARG A 22 0.359 29.085 45.530 1.00 20.29 N ATOM 361 CZ ARG A 22 -0.486 28.492 46.366 1.00 25.73 C ATOM 362 NH1 ARG A 22 -1.711 28.149 45.995 1.00 22.34 N ATOM 363 NH2 ARG A 22 -0.096 28.238 47.611 1.00 21.69 N ATOM 364 HA ARG A 22 1.715 26.291 41.870 1.00 0.00 H ATOM 365 HB2 ARG A 22 2.341 27.749 43.693 1.00 0.00 H ATOM 366 HB3 ARG A 22 2.197 29.174 42.638 1.00 0.00 H ATOM 367 HG2 ARG A 22 -0.228 28.446 42.263 1.00 0.00 H ATOM 368 HG3 ARG A 22 0.012 27.342 43.638 1.00 0.00 H ATOM 369 HD2 ARG A 22 -1.040 29.643 44.093 1.00 0.00 H ATOM 370 HD3 ARG A 22 0.598 30.292 43.850 1.00 0.00 H ATOM 371 HE ARG A 22 1.309 29.327 45.878 1.00 0.00 H ATOM 372 HH12 ARG A 22 -2.349 27.686 46.673 1.00 0.00 H ATOM 373 HH11 ARG A 22 -2.034 28.343 45.026 1.00 0.00 H ATOM 374 HH22 ARG A 22 -0.748 27.774 48.276 1.00 0.00 H ATOM 375 HH21 ARG A 22 0.861 28.503 47.920 1.00 0.00 H ATOM 376 H ARG A 22 4.157 27.756 41.852 1.00 0.00 H ATOM 377 N ASN A 23 1.752 28.768 39.722 1.00 12.50 N ATOM 378 CA ASN A 23 1.075 29.315 38.559 1.00 13.39 C ATOM 379 C ASN A 23 0.911 28.300 37.440 1.00 18.22 C ATOM 380 O ASN A 23 -0.148 28.218 36.812 1.00 16.73 O ATOM 381 CB ASN A 23 1.763 30.594 38.035 1.00 14.40 C ATOM 382 CG ASN A 23 0.932 31.348 37.009 1.00 58.89 C ATOM 383 OD1 ASN A 23 -0.087 31.973 37.341 1.00 37.31 O ATOM 384 ND2 ASN A 23 1.367 31.304 35.754 1.00 58.24 N ATOM 385 HA ASN A 23 0.076 29.584 38.901 1.00 0.00 H ATOM 386 HB2 ASN A 23 1.953 31.256 38.880 1.00 0.00 H ATOM 387 HB3 ASN A 23 2.710 30.314 37.574 1.00 0.00 H ATOM 388 HD22 ASN A 23 2.227 30.767 35.520 1.00 0.00 H ATOM 389 HD21 ASN A 23 0.848 31.806 35.006 1.00 0.00 H ATOM 390 H ASN A 23 2.669 29.167 40.009 1.00 0.00 H ATOM 391 N LEU A 24 1.972 27.533 37.178 1.00 12.51 N ATOM 392 CA LEU A 24 1.914 26.538 36.132 1.00 14.12 C ATOM 393 C LEU A 24 0.940 25.421 36.482 1.00 24.43 C ATOM 394 O LEU A 24 0.216 24.928 35.617 1.00 21.07 O ATOM 395 CB LEU A 24 3.298 26.052 35.673 1.00 18.58 C ATOM 396 CG LEU A 24 4.182 27.199 35.180 1.00 20.73 C ATOM 397 CD1 LEU A 24 5.557 26.676 34.774 1.00 18.01 C ATOM 398 CD2 LEU A 24 3.521 27.913 34.004 1.00 23.92 C ATOM 399 HA LEU A 24 1.507 27.026 35.246 1.00 0.00 H ATOM 400 HB2 LEU A 24 3.794 25.562 36.511 1.00 0.00 H ATOM 401 HB3 LEU A 24 3.167 25.336 34.861 1.00 0.00 H ATOM 402 HG LEU A 24 4.307 27.912 35.995 1.00 0.00 H ATOM 403 HD21 LEU A 24 3.370 27.205 33.189 1.00 0.00 H ATOM 404 HD22 LEU A 24 2.559 28.316 34.320 1.00 0.00 H ATOM 405 HD23 LEU A 24 4.164 28.726 33.666 1.00 0.00 H ATOM 406 HD11 LEU A 24 6.033 26.205 35.634 1.00 0.00 H ATOM 407 HD12 LEU A 24 5.444 25.945 33.973 1.00 0.00 H ATOM 408 HD13 LEU A 24 6.172 27.506 34.426 1.00 0.00 H ATOM 409 H LEU A 24 2.845 27.652 37.730 1.00 0.00 H ATOM 410 N LEU A 25 0.906 25.053 37.769 1.00 13.73 N ATOM 411 CA LEU A 25 -0.011 24.036 38.251 1.00 12.21 C ATOM 412 C LEU A 25 -1.425 24.537 38.003 1.00 17.11 C ATOM 413 O LEU A 25 -2.311 23.814 37.554 1.00 17.38 O ATOM 414 CB LEU A 25 0.185 23.743 39.752 1.00 12.83 C ATOM 415 CG LEU A 25 1.466 22.969 40.070 1.00 15.16 C ATOM 416 CD1 LEU A 25 1.650 22.858 41.582 1.00 9.93 C ATOM 417 CD2 LEU A 25 1.389 21.575 39.455 1.00 19.32 C ATOM 418 HA LEU A 25 0.179 23.103 37.720 1.00 0.00 H ATOM 419 HB2 LEU A 25 0.216 24.693 40.286 1.00 0.00 H ATOM 420 HB3 LEU A 25 -0.666 23.158 40.102 1.00 0.00 H ATOM 421 HG LEU A 25 2.318 23.503 39.649 1.00 0.00 H ATOM 422 HD21 LEU A 25 0.532 21.043 39.869 1.00 0.00 H ATOM 423 HD22 LEU A 25 1.277 21.662 38.374 1.00 0.00 H ATOM 424 HD23 LEU A 25 2.303 21.027 39.684 1.00 0.00 H ATOM 425 HD11 LEU A 25 1.718 23.857 42.013 1.00 0.00 H ATOM 426 HD12 LEU A 25 0.798 22.333 42.013 1.00 0.00 H ATOM 427 HD13 LEU A 25 2.565 22.305 41.796 1.00 0.00 H ATOM 428 H LEU A 25 1.555 25.509 38.442 1.00 0.00 H ATOM 429 N LYS A 26 -1.622 25.816 38.291 1.00 13.30 N ATOM 430 CA LYS A 26 -2.902 26.438 38.070 1.00 15.32 C ATOM 431 C LYS A 26 -3.263 26.347 36.593 1.00 18.13 C ATOM 432 O LYS A 26 -4.400 26.055 36.230 1.00 18.87 O ATOM 433 CB LYS A 26 -2.903 27.874 38.563 1.00 21.27 C ATOM 434 CG LYS A 26 -4.255 28.555 38.429 1.00 20.75 C ATOM 435 CD LYS A 26 -4.214 30.001 38.894 1.00 29.14 C ATOM 436 CE LYS A 26 -5.497 30.765 38.608 1.00 67.26 C ATOM 437 NZ LYS A 26 -5.444 32.163 39.060 1.00100.00 N ATOM 438 HA LYS A 26 -3.662 25.908 38.644 1.00 0.00 H ATOM 439 HB2 LYS A 26 -2.615 27.879 39.614 1.00 0.00 H ATOM 440 HB3 LYS A 26 -2.172 28.439 37.985 1.00 0.00 H ATOM 441 HG2 LYS A 26 -4.559 28.530 37.383 1.00 0.00 H ATOM 442 HG3 LYS A 26 -4.984 28.012 39.031 1.00 0.00 H ATOM 443 HD2 LYS A 26 -4.037 30.013 39.969 1.00 0.00 H ATOM 444 HD3 LYS A 26 -3.391 30.504 38.386 1.00 0.00 H ATOM 445 HE2 LYS A 26 -6.321 30.265 39.118 1.00 0.00 H ATOM 446 HE3 LYS A 26 -5.677 30.753 37.533 1.00 0.00 H ATOM 447 HZ1 LYS A 26 -5.282 32.188 40.087 1.00 0.00 H ATOM 448 HZ2 LYS A 26 -4.667 32.654 38.573 1.00 0.00 H ATOM 449 HZ3 LYS A 26 -6.345 32.632 38.838 1.00 0.00 H ATOM 450 H LYS A 26 -0.840 26.379 38.683 1.00 0.00 H ATOM 451 N GLU A 27 -2.266 26.580 35.741 1.00 13.91 N ATOM 452 CA GLU A 27 -2.462 26.514 34.302 1.00 19.26 C ATOM 453 C GLU A 27 -3.009 25.163 33.881 1.00 29.83 C ATOM 454 O GLU A 27 -3.859 25.077 32.998 1.00 27.06 O ATOM 455 CB GLU A 27 -1.179 26.827 33.502 1.00 18.99 C ATOM 456 CG GLU A 27 -0.880 28.334 33.424 1.00 22.49 C ATOM 457 CD GLU A 27 -1.812 29.041 32.486 1.00 50.05 C ATOM 458 OE1 GLU A 27 -2.599 29.895 32.847 1.00 33.11 O ATOM 459 OE2 GLU A 27 -1.704 28.619 31.250 1.00 35.75 O ATOM 460 HA GLU A 27 -3.192 27.289 34.068 1.00 0.00 H ATOM 461 HB2 GLU A 27 -0.337 26.329 33.983 1.00 0.00 H ATOM 462 HB3 GLU A 27 -1.297 26.442 32.489 1.00 0.00 H ATOM 463 HG2 GLU A 27 -0.986 28.767 34.419 1.00 0.00 H ATOM 464 HG3 GLU A 27 0.143 28.473 33.076 1.00 0.00 H ATOM 465 H GLU A 27 -1.324 26.815 36.114 1.00 0.00 H ATOM 466 N LEU A 28 -2.496 24.113 34.521 1.00 23.76 N ATOM 467 CA LEU A 28 -2.900 22.748 34.239 1.00 18.98 C ATOM 468 C LEU A 28 -4.219 22.363 34.897 1.00 21.32 C ATOM 469 O LEU A 28 -4.707 21.250 34.722 1.00 20.99 O ATOM 470 CB LEU A 28 -1.800 21.730 34.594 1.00 18.57 C ATOM 471 CG LEU A 28 -0.474 22.049 33.930 1.00 20.22 C ATOM 472 CD1 LEU A 28 0.636 21.274 34.621 1.00 27.06 C ATOM 473 CD2 LEU A 28 -0.534 21.661 32.459 1.00 32.45 C ATOM 474 HA LEU A 28 -3.059 22.714 33.161 1.00 0.00 H ATOM 475 HB2 LEU A 28 -1.659 21.731 35.675 1.00 0.00 H ATOM 476 HB3 LEU A 28 -2.123 20.740 34.272 1.00 0.00 H ATOM 477 HG LEU A 28 -0.273 23.117 34.011 1.00 0.00 H ATOM 478 HD21 LEU A 28 -0.735 20.593 32.374 1.00 0.00 H ATOM 479 HD22 LEU A 28 -1.330 22.222 31.969 1.00 0.00 H ATOM 480 HD23 LEU A 28 0.420 21.891 31.985 1.00 0.00 H ATOM 481 HD11 LEU A 28 0.677 21.559 35.672 1.00 0.00 H ATOM 482 HD12 LEU A 28 0.436 20.206 34.541 1.00 0.00 H ATOM 483 HD13 LEU A 28 1.589 21.503 34.144 1.00 0.00 H ATOM 484 H LEU A 28 -1.776 24.279 35.253 1.00 0.00 H ATOM 485 N GLY A 29 -4.792 23.280 35.666 1.00 14.90 N ATOM 486 CA GLY A 29 -6.056 23.020 36.325 1.00 17.50 C ATOM 487 C GLY A 29 -5.935 22.571 37.774 1.00 22.37 C ATOM 488 O GLY A 29 -6.922 22.158 38.378 1.00 22.48 O ATOM 489 HA3 GLY A 29 -6.575 22.239 35.769 1.00 0.00 H ATOM 490 HA2 GLY A 29 -6.647 23.936 36.301 1.00 0.00 H ATOM 491 H GLY A 29 -4.326 24.200 35.798 1.00 0.00 H ATOM 492 N PHE A 30 -4.730 22.660 38.335 1.00 16.58 N ATOM 493 CA PHE A 30 -4.498 22.260 39.714 1.00 14.69 C ATOM 494 C PHE A 30 -4.383 23.459 40.641 1.00 18.37 C ATOM 495 O PHE A 30 -3.409 24.209 40.574 1.00 17.41 O ATOM 496 CB PHE A 30 -3.227 21.409 39.837 1.00 16.63 C ATOM 497 CG PHE A 30 -3.276 20.163 39.001 1.00 15.91 C ATOM 498 CD1 PHE A 30 -2.549 20.073 37.815 1.00 19.57 C ATOM 499 CD2 PHE A 30 -4.044 19.070 39.404 1.00 15.08 C ATOM 500 CE1 PHE A 30 -2.587 18.916 37.036 1.00 24.39 C ATOM 501 CE2 PHE A 30 -4.096 17.906 38.638 1.00 16.10 C ATOM 502 CZ PHE A 30 -3.370 17.837 37.448 1.00 15.48 C ATOM 503 HA PHE A 30 -5.363 21.668 40.014 1.00 0.00 H ATOM 504 HB2 PHE A 30 -2.374 22.009 39.519 1.00 0.00 H ATOM 505 HB3 PHE A 30 -3.099 21.123 40.881 1.00 0.00 H ATOM 506 HD2 PHE A 30 -4.612 19.127 40.332 1.00 0.00 H ATOM 507 HE2 PHE A 30 -4.698 17.058 38.965 1.00 0.00 H ATOM 508 HZ PHE A 30 -3.415 16.935 36.837 1.00 0.00 H ATOM 509 HE1 PHE A 30 -2.010 18.856 36.113 1.00 0.00 H ATOM 510 HD1 PHE A 30 -1.942 20.919 37.492 1.00 0.00 H ATOM 511 H PHE A 30 -3.935 23.025 37.773 1.00 0.00 H ATOM 512 N ASN A 31 -5.367 23.617 41.524 1.00 14.82 N ATOM 513 CA ASN A 31 -5.385 24.728 42.455 1.00 13.93 C ATOM 514 C ASN A 31 -5.151 24.368 43.914 1.00 19.09 C ATOM 515 O ASN A 31 -4.933 25.246 44.745 1.00 20.97 O ATOM 516 CB ASN A 31 -6.692 25.518 42.337 1.00 13.94 C ATOM 517 CG ASN A 31 -6.668 26.804 43.132 1.00 20.65 C ATOM 518 OD1 ASN A 31 -6.088 27.817 42.702 1.00 16.81 O ATOM 519 ND2 ASN A 31 -7.315 26.765 44.291 1.00 19.25 N ATOM 520 HA ASN A 31 -4.530 25.335 42.156 1.00 0.00 H ATOM 521 HB2 ASN A 31 -6.861 25.759 41.288 1.00 0.00 H ATOM 522 HB3 ASN A 31 -7.510 24.897 42.702 1.00 0.00 H ATOM 523 HD22 ASN A 31 -7.781 25.887 44.597 1.00 0.00 H ATOM 524 HD21 ASN A 31 -7.356 27.612 44.893 1.00 0.00 H ATOM 525 H ASN A 31 -6.143 22.925 41.546 1.00 0.00 H ATOM 526 N ASN A 32 -5.232 23.087 44.247 1.00 14.50 N ATOM 527 CA ASN A 32 -5.033 22.675 45.622 1.00 10.93 C ATOM 528 C ASN A 32 -3.542 22.562 45.900 1.00 14.68 C ATOM 529 O ASN A 32 -2.959 21.487 45.841 1.00 15.28 O ATOM 530 CB ASN A 32 -5.771 21.357 45.902 1.00 14.62 C ATOM 531 CG ASN A 32 -6.090 21.135 47.365 1.00 17.09 C ATOM 532 OD1 ASN A 32 -5.781 21.961 48.231 1.00 15.40 O ATOM 533 ND2 ASN A 32 -6.690 19.990 47.648 1.00 19.73 N ATOM 534 HA ASN A 32 -5.451 23.423 46.296 1.00 0.00 H ATOM 535 HB2 ASN A 32 -6.707 21.361 45.343 1.00 0.00 H ATOM 536 HB3 ASN A 32 -5.146 20.533 45.557 1.00 0.00 H ATOM 537 HD22 ASN A 32 -6.930 19.326 46.884 1.00 0.00 H ATOM 538 HD21 ASN A 32 -6.921 19.754 48.634 1.00 0.00 H ATOM 539 H ASN A 32 -5.439 22.375 43.518 1.00 0.00 H ATOM 540 N VAL A 33 -2.922 23.702 46.177 1.00 18.25 N ATOM 541 CA VAL A 33 -1.497 23.736 46.407 1.00 17.11 C ATOM 542 C VAL A 33 -1.088 24.405 47.699 1.00 18.91 C ATOM 543 O VAL A 33 -1.633 25.436 48.071 1.00 20.03 O ATOM 544 CB VAL A 33 -0.819 24.491 45.272 1.00 17.62 C ATOM 545 CG1 VAL A 33 0.673 24.615 45.545 1.00 21.43 C ATOM 546 CG2 VAL A 33 -1.065 23.817 43.931 1.00 16.48 C ATOM 547 HA VAL A 33 -1.188 22.692 46.464 1.00 0.00 H ATOM 548 HB VAL A 33 -1.254 25.489 45.222 1.00 0.00 H ATOM 549 HG11 VAL A 33 0.827 25.157 46.478 1.00 0.00 H ATOM 550 HG12 VAL A 33 1.110 23.620 45.625 1.00 0.00 H ATOM 551 HG13 VAL A 33 1.147 25.157 44.727 1.00 0.00 H ATOM 552 HG21 VAL A 33 -0.668 22.802 43.958 1.00 0.00 H ATOM 553 HG22 VAL A 33 -2.136 23.784 43.733 1.00 0.00 H ATOM 554 HG23 VAL A 33 -0.566 24.383 43.144 1.00 0.00 H ATOM 555 H VAL A 33 -3.471 24.584 46.229 1.00 0.00 H ATOM 556 N GLU A 34 -0.090 23.816 48.355 1.00 15.04 N ATOM 557 CA GLU A 34 0.473 24.358 49.573 1.00 13.75 C ATOM 558 C GLU A 34 1.957 24.533 49.336 1.00 15.39 C ATOM 559 O GLU A 34 2.513 23.891 48.440 1.00 13.26 O ATOM 560 CB GLU A 34 0.220 23.505 50.824 1.00 16.21 C ATOM 561 CG GLU A 34 -1.196 23.673 51.390 1.00 24.25 C ATOM 562 CD GLU A 34 -1.219 23.624 52.885 1.00 28.75 C ATOM 563 OE1 GLU A 34 -0.433 24.237 53.581 1.00 54.22 O ATOM 564 OE2 GLU A 34 -2.162 22.847 53.352 1.00 47.27 O ATOM 565 HA GLU A 34 -0.023 25.305 49.786 1.00 0.00 H ATOM 566 HB2 GLU A 34 0.369 22.457 50.565 1.00 0.00 H ATOM 567 HB3 GLU A 34 0.938 23.794 51.592 1.00 0.00 H ATOM 568 HG2 GLU A 34 -1.592 24.635 51.064 1.00 0.00 H ATOM 569 HG3 GLU A 34 -1.826 22.872 51.003 1.00 0.00 H ATOM 570 H GLU A 34 0.301 22.930 47.976 1.00 0.00 H ATOM 571 N GLU A 35 2.582 25.403 50.125 1.00 10.89 N ATOM 572 CA GLU A 35 3.999 25.676 49.971 1.00 10.32 C ATOM 573 C GLU A 35 4.817 25.403 51.222 1.00 14.14 C ATOM 574 O GLU A 35 4.327 25.444 52.349 1.00 13.64 O ATOM 575 CB GLU A 35 4.224 27.136 49.537 1.00 11.92 C ATOM 576 CG GLU A 35 3.541 27.489 48.205 1.00 15.03 C ATOM 577 CD GLU A 35 3.531 28.969 47.948 1.00 21.44 C ATOM 578 OE1 GLU A 35 4.351 29.730 48.426 1.00 19.20 O ATOM 579 OE2 GLU A 35 2.565 29.346 47.146 1.00 22.82 O ATOM 580 HA GLU A 35 4.346 24.986 49.202 1.00 0.00 H ATOM 581 HB2 GLU A 35 3.829 27.792 50.313 1.00 0.00 H ATOM 582 HB3 GLU A 35 5.296 27.304 49.431 1.00 0.00 H ATOM 583 HG2 GLU A 35 4.076 26.995 47.394 1.00 0.00 H ATOM 584 HG3 GLU A 35 2.512 27.130 48.232 1.00 0.00 H ATOM 585 H GLU A 35 2.045 25.897 50.866 1.00 0.00 H ATOM 586 N ALA A 36 6.101 25.149 50.998 1.00 12.36 N ATOM 587 CA ALA A 36 7.050 24.898 52.060 1.00 14.10 C ATOM 588 C ALA A 36 8.387 25.515 51.682 1.00 12.07 C ATOM 589 O ALA A 36 8.732 25.576 50.505 1.00 14.57 O ATOM 590 CB ALA A 36 7.162 23.414 52.377 1.00 15.79 C ATOM 591 HA ALA A 36 6.698 25.367 52.979 1.00 0.00 H ATOM 592 HB1 ALA A 36 6.189 23.036 52.690 1.00 0.00 H ATOM 593 HB2 ALA A 36 7.492 22.878 51.487 1.00 0.00 H ATOM 594 HB3 ALA A 36 7.885 23.269 53.180 1.00 0.00 H ATOM 595 H ALA A 36 6.439 25.130 50.015 1.00 0.00 H ATOM 596 N GLU A 37 9.121 25.986 52.676 1.00 11.96 N ATOM 597 CA GLU A 37 10.405 26.636 52.481 1.00 15.21 C ATOM 598 C GLU A 37 11.629 25.734 52.511 1.00 16.62 C ATOM 599 O GLU A 37 12.695 26.115 52.028 1.00 20.06 O ATOM 600 CB GLU A 37 10.590 27.702 53.554 1.00 22.68 C ATOM 601 CG GLU A 37 10.903 27.098 54.943 1.00 69.82 C ATOM 602 CD GLU A 37 10.662 28.010 56.121 1.00100.00 C ATOM 603 OE1 GLU A 37 9.549 28.393 56.458 1.00100.00 O ATOM 604 OE2 GLU A 37 11.770 28.423 56.673 1.00100.00 O ATOM 605 HA GLU A 37 10.355 27.038 51.469 1.00 0.00 H ATOM 606 HB2 GLU A 37 11.414 28.353 53.262 1.00 0.00 H ATOM 607 HB3 GLU A 37 9.674 28.288 53.626 1.00 0.00 H ATOM 608 HG2 GLU A 37 10.281 26.212 55.072 1.00 0.00 H ATOM 609 HG3 GLU A 37 11.953 26.807 54.953 1.00 0.00 H ATOM 610 H GLU A 37 8.761 25.886 53.646 1.00 0.00 H ATOM 611 N ASP A 38 11.505 24.569 53.122 1.00 14.10 N ATOM 612 CA ASP A 38 12.618 23.641 53.202 1.00 15.45 C ATOM 613 C ASP A 38 12.097 22.240 53.452 1.00 13.90 C ATOM 614 O ASP A 38 10.893 22.054 53.603 1.00 14.61 O ATOM 615 CB ASP A 38 13.690 24.061 54.229 1.00 15.45 C ATOM 616 CG ASP A 38 13.172 24.039 55.634 1.00 19.07 C ATOM 617 OD1 ASP A 38 12.374 23.207 56.033 1.00 19.84 O ATOM 618 OD2 ASP A 38 13.654 25.011 56.372 1.00 19.82 O ATOM 619 HA ASP A 38 13.133 23.657 52.241 1.00 0.00 H ATOM 620 HB2 ASP A 38 14.534 23.375 54.156 1.00 0.00 H ATOM 621 HB3 ASP A 38 14.024 25.072 53.994 1.00 0.00 H ATOM 622 H ASP A 38 10.594 24.313 53.553 1.00 0.00 H ATOM 623 N GLY A 39 12.999 21.269 53.484 1.00 11.06 N ATOM 624 CA GLY A 39 12.618 19.893 53.695 1.00 11.75 C ATOM 625 C GLY A 39 11.908 19.641 55.015 1.00 13.89 C ATOM 626 O GLY A 39 11.020 18.794 55.084 1.00 17.16 O ATOM 627 HA3 GLY A 39 13.519 19.280 53.668 1.00 0.00 H ATOM 628 HA2 GLY A 39 11.952 19.594 52.885 1.00 0.00 H ATOM 629 H GLY A 39 14.004 21.504 53.354 1.00 0.00 H ATOM 630 N VAL A 40 12.313 20.356 56.066 1.00 12.02 N ATOM 631 CA VAL A 40 11.698 20.173 57.370 1.00 13.50 C ATOM 632 C VAL A 40 10.244 20.609 57.359 1.00 16.31 C ATOM 633 O VAL A 40 9.342 19.877 57.764 1.00 15.57 O ATOM 634 CB VAL A 40 12.473 20.866 58.489 1.00 18.06 C ATOM 635 CG1 VAL A 40 11.837 20.550 59.836 1.00 20.78 C ATOM 636 CG2 VAL A 40 13.922 20.391 58.491 1.00 19.41 C ATOM 637 HA VAL A 40 11.732 19.104 57.582 1.00 0.00 H ATOM 638 HB VAL A 40 12.445 21.942 58.319 1.00 0.00 H ATOM 639 HG11 VAL A 40 10.806 20.903 59.841 1.00 0.00 H ATOM 640 HG12 VAL A 40 11.854 19.473 60.001 1.00 0.00 H ATOM 641 HG13 VAL A 40 12.397 21.049 60.627 1.00 0.00 H ATOM 642 HG21 VAL A 40 13.949 19.313 58.649 1.00 0.00 H ATOM 643 HG22 VAL A 40 14.383 20.631 57.533 1.00 0.00 H ATOM 644 HG23 VAL A 40 14.466 20.891 59.292 1.00 0.00 H ATOM 645 H VAL A 40 13.077 21.052 55.951 1.00 0.00 H ATOM 646 N ASP A 41 10.014 21.828 56.890 1.00 17.26 N ATOM 647 CA ASP A 41 8.660 22.341 56.821 1.00 16.66 C ATOM 648 C ASP A 41 7.806 21.457 55.931 1.00 13.41 C ATOM 649 O ASP A 41 6.654 21.176 56.237 1.00 14.89 O ATOM 650 CB ASP A 41 8.625 23.801 56.345 1.00 16.95 C ATOM 651 CG ASP A 41 9.070 24.747 57.422 1.00 58.99 C ATOM 652 OD1 ASP A 41 9.468 24.376 58.512 1.00 56.19 O ATOM 653 OD2 ASP A 41 8.973 26.003 57.069 1.00 88.83 O ATOM 654 HA ASP A 41 8.246 22.324 57.829 1.00 0.00 H ATOM 655 HB2 ASP A 41 9.286 23.908 55.485 1.00 0.00 H ATOM 656 HB3 ASP A 41 7.606 24.053 56.052 1.00 0.00 H ATOM 657 H ASP A 41 10.808 22.418 56.570 1.00 0.00 H ATOM 658 N ALA A 42 8.400 21.024 54.822 1.00 11.97 N ATOM 659 CA ALA A 42 7.723 20.166 53.874 1.00 12.47 C ATOM 660 C ALA A 42 7.254 18.887 54.551 1.00 14.83 C ATOM 661 O ALA A 42 6.074 18.534 54.516 1.00 15.23 O ATOM 662 CB ALA A 42 8.659 19.840 52.720 1.00 11.83 C ATOM 663 HA ALA A 42 6.847 20.688 53.488 1.00 0.00 H ATOM 664 HB1 ALA A 42 8.958 20.764 52.224 1.00 0.00 H ATOM 665 HB2 ALA A 42 9.543 19.330 53.104 1.00 0.00 H ATOM 666 HB3 ALA A 42 8.145 19.194 52.008 1.00 0.00 H ATOM 667 H ALA A 42 9.381 21.311 54.631 1.00 0.00 H ATOM 668 N LEU A 43 8.217 18.199 55.162 1.00 16.21 N ATOM 669 CA LEU A 43 7.972 16.955 55.866 1.00 15.09 C ATOM 670 C LEU A 43 6.902 17.138 56.920 1.00 15.91 C ATOM 671 O LEU A 43 6.020 16.302 57.080 1.00 16.54 O ATOM 672 CB LEU A 43 9.273 16.433 56.498 1.00 15.04 C ATOM 673 CG LEU A 43 9.258 14.939 56.769 1.00 20.37 C ATOM 674 CD1 LEU A 43 9.040 14.169 55.464 1.00 17.31 C ATOM 675 CD2 LEU A 43 10.581 14.541 57.414 1.00 15.96 C ATOM 676 HA LEU A 43 7.616 16.217 55.147 1.00 0.00 H ATOM 677 HB2 LEU A 43 10.098 16.653 55.821 1.00 0.00 H ATOM 678 HB3 LEU A 43 9.431 16.954 57.442 1.00 0.00 H ATOM 679 HG LEU A 43 8.439 14.694 57.446 1.00 0.00 H ATOM 680 HD21 LEU A 43 11.401 14.785 56.739 1.00 0.00 H ATOM 681 HD22 LEU A 43 10.705 15.085 58.350 1.00 0.00 H ATOM 682 HD23 LEU A 43 10.579 13.469 57.612 1.00 0.00 H ATOM 683 HD11 LEU A 43 8.087 14.463 55.025 1.00 0.00 H ATOM 684 HD12 LEU A 43 9.848 14.399 54.769 1.00 0.00 H ATOM 685 HD13 LEU A 43 9.031 13.099 55.672 1.00 0.00 H ATOM 686 H LEU A 43 9.188 18.570 55.133 1.00 0.00 H ATOM 687 N ASN A 44 6.985 18.260 57.631 1.00 14.80 N ATOM 688 CA ASN A 44 6.028 18.586 58.672 1.00 16.73 C ATOM 689 C ASN A 44 4.608 18.607 58.123 1.00 20.01 C ATOM 690 O ASN A 44 3.696 18.012 58.694 1.00 21.63 O ATOM 691 CB ASN A 44 6.378 19.918 59.360 1.00 14.77 C ATOM 692 CG ASN A 44 5.934 19.996 60.807 1.00 19.01 C ATOM 693 OD1 ASN A 44 5.459 19.009 61.390 1.00 19.96 O ATOM 694 ND2 ASN A 44 6.105 21.176 61.394 1.00 20.97 N ATOM 695 HA ASN A 44 6.083 17.802 59.428 1.00 0.00 H ATOM 696 HB2 ASN A 44 7.460 20.049 59.325 1.00 0.00 H ATOM 697 HB3 ASN A 44 5.897 20.726 58.809 1.00 0.00 H ATOM 698 HD22 ASN A 44 6.508 21.970 60.857 1.00 0.00 H ATOM 699 HD21 ASN A 44 5.836 21.305 62.390 1.00 0.00 H ATOM 700 H ASN A 44 7.761 18.924 57.434 1.00 0.00 H ATOM 701 N LYS A 45 4.422 19.287 56.989 1.00 17.38 N ATOM 702 CA LYS A 45 3.116 19.365 56.358 1.00 14.32 C ATOM 703 C LYS A 45 2.667 18.012 55.818 1.00 16.56 C ATOM 704 O LYS A 45 1.521 17.592 55.983 1.00 18.35 O ATOM 705 CB LYS A 45 3.091 20.403 55.251 1.00 12.34 C ATOM 706 CG LYS A 45 3.001 21.821 55.782 1.00 15.50 C ATOM 707 CD LYS A 45 3.191 22.867 54.697 1.00 24.21 C ATOM 708 CE LYS A 45 2.771 24.262 55.138 1.00 25.64 C ATOM 709 NZ LYS A 45 2.159 25.037 54.047 1.00 30.49 N ATOM 710 HA LYS A 45 2.414 19.672 57.133 1.00 0.00 H ATOM 711 HB2 LYS A 45 4.003 20.308 54.662 1.00 0.00 H ATOM 712 HB3 LYS A 45 2.227 20.213 54.614 1.00 0.00 H ATOM 713 HG2 LYS A 45 2.020 21.962 56.235 1.00 0.00 H ATOM 714 HG3 LYS A 45 3.773 21.960 56.539 1.00 0.00 H ATOM 715 HD2 LYS A 45 4.245 22.892 54.419 1.00 0.00 H ATOM 716 HD3 LYS A 45 2.595 22.582 53.830 1.00 0.00 H ATOM 717 HE2 LYS A 45 3.651 24.796 55.495 1.00 0.00 H ATOM 718 HE3 LYS A 45 2.049 24.170 55.950 1.00 0.00 H ATOM 719 HZ1 LYS A 45 2.842 25.138 53.270 1.00 0.00 H ATOM 720 HZ2 LYS A 45 1.312 24.540 53.703 1.00 0.00 H ATOM 721 HZ3 LYS A 45 1.891 25.978 54.400 1.00 0.00 H ATOM 722 H LYS A 45 5.230 19.771 56.548 1.00 0.00 H ATOM 723 N LEU A 46 3.590 17.331 55.156 1.00 14.27 N ATOM 724 CA LEU A 46 3.310 16.032 54.579 1.00 15.34 C ATOM 725 C LEU A 46 2.824 15.032 55.618 1.00 21.99 C ATOM 726 O LEU A 46 1.858 14.308 55.397 1.00 18.06 O ATOM 727 CB LEU A 46 4.544 15.482 53.846 1.00 15.84 C ATOM 728 CG LEU A 46 4.877 16.231 52.565 1.00 13.70 C ATOM 729 CD1 LEU A 46 6.149 15.642 51.964 1.00 18.48 C ATOM 730 CD2 LEU A 46 3.744 16.066 51.565 1.00 15.00 C ATOM 731 HA LEU A 46 2.504 16.173 53.859 1.00 0.00 H ATOM 732 HB2 LEU A 46 5.401 15.548 54.516 1.00 0.00 H ATOM 733 HB3 LEU A 46 4.359 14.437 53.596 1.00 0.00 H ATOM 734 HG LEU A 46 5.017 17.288 52.789 1.00 0.00 H ATOM 735 HD21 LEU A 46 3.610 15.008 51.341 1.00 0.00 H ATOM 736 HD22 LEU A 46 2.824 16.468 51.990 1.00 0.00 H ATOM 737 HD23 LEU A 46 3.988 16.605 50.649 1.00 0.00 H ATOM 738 HD11 LEU A 46 6.968 15.746 52.676 1.00 0.00 H ATOM 739 HD12 LEU A 46 5.990 14.586 51.743 1.00 0.00 H ATOM 740 HD13 LEU A 46 6.395 16.174 51.045 1.00 0.00 H ATOM 741 H LEU A 46 4.540 17.739 55.048 1.00 0.00 H ATOM 742 N GLN A 47 3.519 14.993 56.753 1.00 21.57 N ATOM 743 CA GLN A 47 3.172 14.076 57.824 1.00 20.07 C ATOM 744 C GLN A 47 1.803 14.378 58.399 1.00 27.50 C ATOM 745 O GLN A 47 1.137 13.502 58.942 1.00 31.00 O ATOM 746 CB GLN A 47 4.263 13.976 58.906 1.00 20.46 C ATOM 747 CG GLN A 47 3.864 13.078 60.094 1.00 36.69 C ATOM 748 CD GLN A 47 4.142 11.604 59.861 1.00 39.75 C ATOM 749 OE1 GLN A 47 4.079 10.784 60.792 1.00 28.50 O ATOM 750 NE2 GLN A 47 4.454 11.262 58.614 1.00 21.87 N ATOM 751 HA GLN A 47 3.115 13.083 57.377 1.00 0.00 H ATOM 752 HB2 GLN A 47 5.165 13.567 58.451 1.00 0.00 H ATOM 753 HB3 GLN A 47 4.469 14.978 59.283 1.00 0.00 H ATOM 754 HG2 GLN A 47 4.423 13.400 60.973 1.00 0.00 H ATOM 755 HG3 GLN A 47 2.797 13.203 60.278 1.00 0.00 H ATOM 756 HE22 GLN A 47 4.493 11.988 57.870 1.00 0.00 H ATOM 757 HE21 GLN A 47 4.659 10.269 58.383 1.00 0.00 H ATOM 758 H GLN A 47 4.329 15.634 56.875 1.00 0.00 H ATOM 759 N ALA A 48 1.373 15.628 58.253 1.00 31.89 N ATOM 760 CA ALA A 48 0.066 16.027 58.746 1.00 28.99 C ATOM 761 C ALA A 48 -1.053 15.382 57.934 1.00 31.67 C ATOM 762 O ALA A 48 -2.185 15.269 58.395 1.00 35.59 O ATOM 763 CB ALA A 48 -0.069 17.538 58.863 1.00 29.26 C ATOM 764 HA ALA A 48 -0.033 15.649 59.763 1.00 0.00 H ATOM 765 HB1 ALA A 48 0.684 17.916 59.555 1.00 0.00 H ATOM 766 HB2 ALA A 48 0.076 17.991 57.882 1.00 0.00 H ATOM 767 HB3 ALA A 48 -1.063 17.785 59.235 1.00 0.00 H ATOM 768 H ALA A 48 1.980 16.328 57.780 1.00 0.00 H ATOM 769 N GLY A 49 -0.716 14.947 56.715 1.00 26.10 N ATOM 770 CA GLY A 49 -1.643 14.259 55.818 1.00 23.17 C ATOM 771 C GLY A 49 -2.312 15.076 54.714 1.00 30.17 C ATOM 772 O GLY A 49 -2.379 16.303 54.773 1.00 36.53 O ATOM 773 HA3 GLY A 49 -2.436 13.835 56.434 1.00 0.00 H ATOM 774 HA2 GLY A 49 -1.090 13.453 55.335 1.00 0.00 H ATOM 775 H GLY A 49 0.258 15.107 56.388 1.00 0.00 H ATOM 776 N GLY A 50 -2.811 14.349 53.698 1.00 23.30 N ATOM 777 CA GLY A 50 -3.542 14.921 52.567 1.00 27.99 C ATOM 778 C GLY A 50 -2.859 15.040 51.199 1.00 34.56 C ATOM 779 O GLY A 50 -3.535 15.096 50.172 1.00 28.16 O ATOM 780 HA3 GLY A 50 -3.840 15.928 52.860 1.00 0.00 H ATOM 781 HA2 GLY A 50 -4.432 14.308 52.423 1.00 0.00 H ATOM 782 H GLY A 50 -2.669 13.319 53.718 1.00 0.00 H ATOM 783 N TYR A 51 -1.533 15.099 51.170 1.00 26.20 N ATOM 784 CA TYR A 51 -0.776 15.268 49.937 1.00 19.46 C ATOM 785 C TYR A 51 -0.779 14.135 48.919 1.00 16.73 C ATOM 786 O TYR A 51 -0.774 12.957 49.265 1.00 20.66 O ATOM 787 CB TYR A 51 0.637 15.756 50.268 1.00 20.46 C ATOM 788 CG TYR A 51 0.504 17.077 50.966 1.00 19.47 C ATOM 789 CD1 TYR A 51 0.330 17.156 52.348 1.00 16.63 C ATOM 790 CD2 TYR A 51 0.476 18.252 50.215 1.00 18.39 C ATOM 791 CE1 TYR A 51 0.175 18.390 52.981 1.00 16.83 C ATOM 792 CE2 TYR A 51 0.319 19.494 50.827 1.00 14.47 C ATOM 793 CZ TYR A 51 0.167 19.555 52.212 1.00 16.78 C ATOM 794 OH TYR A 51 0.018 20.774 52.813 1.00 22.58 O ATOM 795 HA TYR A 51 -1.336 16.024 49.386 1.00 0.00 H ATOM 796 HB3 TYR A 51 1.214 15.875 49.351 1.00 0.00 H ATOM 797 HB2 TYR A 51 1.136 15.039 50.920 1.00 0.00 H ATOM 798 HD2 TYR A 51 0.579 18.198 49.131 1.00 0.00 H ATOM 799 HE2 TYR A 51 0.315 20.406 50.231 1.00 0.00 H ATOM 800 HE1 TYR A 51 0.061 18.444 54.064 1.00 0.00 H ATOM 801 HD1 TYR A 51 0.315 16.242 52.941 1.00 0.00 H ATOM 802 HH TYR A 51 -0.078 20.649 53.790 1.00 0.00 H ATOM 803 H TYR A 51 -1.012 15.021 52.067 1.00 0.00 H ATOM 804 N GLY A 52 -0.762 14.516 47.638 1.00 15.71 N ATOM 805 CA GLY A 52 -0.739 13.569 46.534 1.00 13.28 C ATOM 806 C GLY A 52 0.448 13.772 45.585 1.00 16.53 C ATOM 807 O GLY A 52 0.706 12.953 44.700 1.00 14.16 O ATOM 808 HA3 GLY A 52 -1.661 13.680 45.964 1.00 0.00 H ATOM 809 HA2 GLY A 52 -0.686 12.560 46.944 1.00 0.00 H ATOM 810 H GLY A 52 -0.765 15.533 47.421 1.00 0.00 H ATOM 811 N PHE A 53 1.190 14.870 45.765 1.00 14.89 N ATOM 812 CA PHE A 53 2.323 15.144 44.892 1.00 13.19 C ATOM 813 C PHE A 53 3.271 16.155 45.516 1.00 16.10 C ATOM 814 O PHE A 53 2.833 17.123 46.136 1.00 13.91 O ATOM 815 CB PHE A 53 1.818 15.668 43.530 1.00 12.16 C ATOM 816 CG PHE A 53 2.762 15.440 42.369 1.00 16.02 C ATOM 817 CD1 PHE A 53 2.443 14.531 41.360 1.00 15.88 C ATOM 818 CD2 PHE A 53 3.962 16.144 42.264 1.00 13.15 C ATOM 819 CE1 PHE A 53 3.298 14.316 40.279 1.00 16.76 C ATOM 820 CE2 PHE A 53 4.831 15.945 41.190 1.00 14.89 C ATOM 821 CZ PHE A 53 4.494 15.028 40.194 1.00 18.03 C ATOM 822 HA PHE A 53 2.872 14.213 44.746 1.00 0.00 H ATOM 823 HB2 PHE A 53 0.876 15.169 43.303 1.00 0.00 H ATOM 824 HB3 PHE A 53 1.647 16.741 43.622 1.00 0.00 H ATOM 825 HD2 PHE A 53 4.227 16.865 43.037 1.00 0.00 H ATOM 826 HE2 PHE A 53 5.766 16.502 41.130 1.00 0.00 H ATOM 827 HZ PHE A 53 5.165 14.868 39.350 1.00 0.00 H ATOM 828 HE1 PHE A 53 3.033 13.596 39.505 1.00 0.00 H ATOM 829 HD1 PHE A 53 1.506 13.977 41.418 1.00 0.00 H ATOM 830 H PHE A 53 0.957 15.532 46.533 1.00 0.00 H ATOM 831 N VAL A 54 4.570 15.916 45.354 1.00 12.03 N ATOM 832 CA VAL A 54 5.565 16.810 45.901 1.00 10.07 C ATOM 833 C VAL A 54 6.509 17.304 44.823 1.00 13.68 C ATOM 834 O VAL A 54 6.997 16.535 43.994 1.00 15.14 O ATOM 835 CB VAL A 54 6.367 16.138 47.022 1.00 15.16 C ATOM 836 CG1 VAL A 54 7.405 17.090 47.610 1.00 14.31 C ATOM 837 CG2 VAL A 54 5.447 15.618 48.119 1.00 12.64 C ATOM 838 HA VAL A 54 5.031 17.663 46.320 1.00 0.00 H ATOM 839 HB VAL A 54 6.893 15.291 46.582 1.00 0.00 H ATOM 840 HG11 VAL A 54 8.096 17.400 46.827 1.00 0.00 H ATOM 841 HG12 VAL A 54 6.902 17.966 48.020 1.00 0.00 H ATOM 842 HG13 VAL A 54 7.955 16.581 48.402 1.00 0.00 H ATOM 843 HG21 VAL A 54 4.883 16.449 48.543 1.00 0.00 H ATOM 844 HG22 VAL A 54 4.757 14.887 47.697 1.00 0.00 H ATOM 845 HG23 VAL A 54 6.044 15.147 48.900 1.00 0.00 H ATOM 846 H VAL A 54 4.874 15.073 44.826 1.00 0.00 H ATOM 847 N ILE A 55 6.756 18.606 44.843 1.00 11.94 N ATOM 848 CA ILE A 55 7.680 19.249 43.925 1.00 12.54 C ATOM 849 C ILE A 55 8.716 19.912 44.821 1.00 11.47 C ATOM 850 O ILE A 55 8.371 20.746 45.652 1.00 13.41 O ATOM 851 CB ILE A 55 6.992 20.213 42.959 1.00 12.23 C ATOM 852 CG1 ILE A 55 5.944 19.454 42.151 1.00 12.92 C ATOM 853 CG2 ILE A 55 8.021 20.824 42.013 1.00 11.02 C ATOM 854 CD1 ILE A 55 5.142 20.366 41.231 1.00 15.88 C ATOM 855 HA ILE A 55 8.146 18.532 43.249 1.00 0.00 H ATOM 856 HB ILE A 55 6.512 21.011 43.526 1.00 0.00 H ATOM 857 HG12 ILE A 55 6.448 18.701 41.545 1.00 0.00 H ATOM 858 HG13 ILE A 55 5.258 18.963 42.841 1.00 0.00 H ATOM 859 HD11 ILE A 55 4.626 21.119 41.827 1.00 0.00 H ATOM 860 HD12 ILE A 55 5.817 20.856 40.529 1.00 0.00 H ATOM 861 HD13 ILE A 55 4.411 19.773 40.681 1.00 0.00 H ATOM 862 HG21 ILE A 55 8.768 21.367 42.592 1.00 0.00 H ATOM 863 HG22 ILE A 55 8.506 20.031 41.445 1.00 0.00 H ATOM 864 HG23 ILE A 55 7.521 21.509 41.328 1.00 0.00 H ATOM 865 H ILE A 55 6.266 19.194 45.548 1.00 0.00 H ATOM 866 N SER A 56 9.978 19.502 44.710 1.00 11.38 N ATOM 867 CA SER A 56 10.963 20.053 45.613 1.00 11.37 C ATOM 868 C SER A 56 12.308 20.419 45.018 1.00 11.93 C ATOM 869 O SER A 56 12.759 19.838 44.035 1.00 12.73 O ATOM 870 CB SER A 56 11.174 19.036 46.729 1.00 10.55 C ATOM 871 OG SER A 56 12.210 19.424 47.612 1.00 12.20 O ATOM 872 HA SER A 56 10.556 21.006 45.950 1.00 0.00 H ATOM 873 HB2 SER A 56 11.432 18.074 46.285 1.00 0.00 H ATOM 874 HB3 SER A 56 10.248 18.937 47.295 1.00 0.00 H ATOM 875 HG SER A 56 13.057 19.510 47.107 1.00 0.00 H ATOM 876 H SER A 56 10.249 18.802 43.990 1.00 0.00 H ATOM 877 N ASP A 57 12.951 21.392 45.676 1.00 13.10 N ATOM 878 CA ASP A 57 14.287 21.822 45.306 1.00 11.11 C ATOM 879 C ASP A 57 15.234 20.783 45.887 1.00 16.38 C ATOM 880 O ASP A 57 14.816 19.955 46.697 1.00 16.22 O ATOM 881 CB ASP A 57 14.626 23.231 45.836 1.00 13.37 C ATOM 882 CG ASP A 57 15.890 23.817 45.251 1.00 15.86 C ATOM 883 OD1 ASP A 57 16.523 23.299 44.347 1.00 19.02 O ATOM 884 OD2 ASP A 57 16.242 24.942 45.821 1.00 22.24 O ATOM 885 HA ASP A 57 14.373 21.895 44.222 1.00 0.00 H ATOM 886 HB2 ASP A 57 13.796 23.897 45.598 1.00 0.00 H ATOM 887 HB3 ASP A 57 14.743 23.172 46.918 1.00 0.00 H ATOM 888 H ASP A 57 12.478 21.855 46.478 1.00 0.00 H ATOM 889 N TRP A 58 16.499 20.820 45.483 1.00 14.78 N ATOM 890 CA TRP A 58 17.497 19.869 45.938 1.00 10.95 C ATOM 891 C TRP A 58 18.249 20.356 47.163 1.00 18.14 C ATOM 892 O TRP A 58 18.145 19.772 48.245 1.00 18.48 O ATOM 893 CB TRP A 58 18.445 19.561 44.761 1.00 12.61 C ATOM 894 CG TRP A 58 19.503 18.524 44.996 1.00 14.23 C ATOM 895 CD1 TRP A 58 20.831 18.771 45.139 1.00 18.47 C ATOM 896 CD2 TRP A 58 19.356 17.099 45.035 1.00 11.51 C ATOM 897 NE1 TRP A 58 21.525 17.604 45.301 1.00 16.07 N ATOM 898 CE2 TRP A 58 20.644 16.559 45.241 1.00 14.50 C ATOM 899 CE3 TRP A 58 18.268 16.236 44.943 1.00 15.63 C ATOM 900 CZ2 TRP A 58 20.857 15.187 45.353 1.00 17.87 C ATOM 901 CZ3 TRP A 58 18.478 14.878 45.048 1.00 18.46 C ATOM 902 CH2 TRP A 58 19.761 14.360 45.248 1.00 21.91 C ATOM 903 HA TRP A 58 16.998 18.953 46.256 1.00 0.00 H ATOM 904 HB2 TRP A 58 17.833 19.224 43.924 1.00 0.00 H ATOM 905 HB3 TRP A 58 18.948 20.490 44.491 1.00 0.00 H ATOM 906 HE1 TRP A 58 22.552 17.524 45.446 1.00 0.00 H ATOM 907 HD1 TRP A 58 21.282 19.763 45.126 1.00 0.00 H ATOM 908 HZ2 TRP A 58 21.856 14.782 45.518 1.00 0.00 H ATOM 909 HH2 TRP A 58 19.896 13.281 45.322 1.00 0.00 H ATOM 910 HZ3 TRP A 58 17.630 14.197 44.974 1.00 0.00 H ATOM 911 HE3 TRP A 58 17.263 16.629 44.790 1.00 0.00 H ATOM 912 H TRP A 58 16.786 21.561 44.813 1.00 0.00 H ATOM 913 N ASN A 59 19.003 21.437 46.995 1.00 13.97 N ATOM 914 CA ASN A 59 19.758 21.992 48.098 1.00 17.65 C ATOM 915 C ASN A 59 18.920 22.957 48.902 1.00 19.92 C ATOM 916 O ASN A 59 18.470 23.978 48.397 1.00 22.83 O ATOM 917 CB ASN A 59 21.077 22.626 47.644 1.00 23.33 C ATOM 918 CG ASN A 59 22.119 21.566 47.377 1.00 36.83 C ATOM 919 OD1 ASN A 59 22.451 20.767 48.266 1.00 62.95 O ATOM 920 ND2 ASN A 59 22.614 21.534 46.144 1.00 34.45 N ATOM 921 HA ASN A 59 20.026 21.161 48.751 1.00 0.00 H ATOM 922 HB2 ASN A 59 20.904 23.195 46.731 1.00 0.00 H ATOM 923 HB3 ASN A 59 21.439 23.295 48.425 1.00 0.00 H ATOM 924 HD22 ASN A 59 22.298 22.230 45.439 1.00 0.00 H ATOM 925 HD21 ASN A 59 23.317 20.813 45.884 1.00 0.00 H ATOM 926 H ASN A 59 19.051 21.890 46.060 1.00 0.00 H HETATM 927 N MSE A 60 18.697 22.608 50.160 1.00 15.37 N HETATM 928 CA MSE A 60 17.899 23.434 51.036 1.00 16.33 C HETATM 929 C MSE A 60 18.436 23.355 52.448 1.00 15.10 C HETATM 930 O MSE A 60 19.028 22.353 52.828 1.00 18.52 O HETATM 931 CB MSE A 60 16.449 22.965 51.028 1.00 12.97 C HETATM 932 CG MSE A 60 15.847 22.711 49.670 1.00 14.92 C HETATM 933 SE MSE A 60 13.947 22.307 49.713 1.00 22.13 S HETATM 934 CE MSE A 60 14.073 20.434 50.080 1.00 13.28 C HETATM 935 HE3 MSE A 60 13.071 20.009 50.144 1.00 0.00 H HETATM 936 HE2 MSE A 60 14.593 20.285 51.026 1.00 0.00 H HETATM 937 HE1 MSE A 60 14.626 19.944 49.278 1.00 0.00 H HETATM 938 HG2 MSE A 60 15.995 23.600 49.057 1.00 0.00 H HETATM 939 HG1 MSE A 60 16.367 21.867 49.216 1.00 0.00 H HETATM 940 HB2 MSE A 60 15.848 23.728 51.523 1.00 0.00 H HETATM 941 HB1 MSE A 60 16.395 22.037 51.597 1.00 0.00 H HETATM 942 HA MSE A 60 17.948 24.463 50.681 1.00 0.00 H HETATM 943 H MSE A 60 19.104 21.723 50.524 1.00 0.00 H ATOM 944 N PRO A 61 18.215 24.409 53.219 1.00 17.63 N ATOM 945 CA PRO A 61 18.671 24.425 54.593 1.00 22.76 C ATOM 946 C PRO A 61 17.827 23.489 55.440 1.00 20.13 C ATOM 947 O PRO A 61 16.688 23.179 55.091 1.00 17.99 O ATOM 948 CB PRO A 61 18.435 25.849 55.102 1.00 23.36 C ATOM 949 CG PRO A 61 17.509 26.531 54.107 1.00 23.04 C ATOM 950 CD PRO A 61 17.481 25.654 52.865 1.00 18.44 C ATOM 951 HA PRO A 61 19.715 24.117 54.653 1.00 0.00 H ATOM 952 HD3 PRO A 61 16.452 25.421 52.590 1.00 0.00 H ATOM 953 HD2 PRO A 61 17.973 26.160 52.034 1.00 0.00 H ATOM 954 HG3 PRO A 61 17.888 27.522 53.859 1.00 0.00 H ATOM 955 HG2 PRO A 61 16.507 26.621 54.526 1.00 0.00 H ATOM 956 HB2 PRO A 61 17.971 25.822 56.088 1.00 0.00 H ATOM 957 HB3 PRO A 61 19.381 26.387 55.162 1.00 0.00 H ATOM 958 N ASN A 62 18.397 23.061 56.564 1.00 24.03 N ATOM 959 CA ASN A 62 17.724 22.195 57.513 1.00 18.19 C ATOM 960 C ASN A 62 17.562 20.766 57.036 1.00 18.09 C ATOM 961 O ASN A 62 18.009 19.826 57.693 1.00 19.13 O ATOM 962 CB ASN A 62 16.399 22.819 57.971 1.00 17.71 C ATOM 963 CG ASN A 62 16.646 24.182 58.575 1.00 20.10 C ATOM 964 OD1 ASN A 62 17.533 24.328 59.426 1.00 22.19 O ATOM 965 ND2 ASN A 62 15.906 25.183 58.111 1.00 18.73 N ATOM 966 HA ASN A 62 18.379 22.117 58.381 1.00 0.00 H ATOM 967 HB2 ASN A 62 15.733 22.920 57.114 1.00 0.00 H ATOM 968 HB3 ASN A 62 15.935 22.173 58.716 1.00 0.00 H ATOM 969 HD22 ASN A 62 15.174 25.000 57.395 1.00 0.00 H ATOM 970 HD21 ASN A 62 16.059 26.149 58.464 1.00 0.00 H ATOM 971 H ASN A 62 19.371 23.362 56.772 1.00 0.00 H HETATM 972 N MSE A 63 16.904 20.612 55.895 1.00 13.93 N HETATM 973 CA MSE A 63 16.700 19.306 55.300 1.00 14.46 C HETATM 974 C MSE A 63 16.656 19.447 53.796 1.00 14.18 C HETATM 975 O MSE A 63 15.802 20.160 53.267 1.00 13.04 O HETATM 976 CB MSE A 63 15.453 18.587 55.798 1.00 14.58 C HETATM 977 CG MSE A 63 15.279 17.195 55.230 1.00 18.89 C HETATM 978 SE MSE A 63 13.688 16.254 55.831 1.00 21.10 S HETATM 979 CE MSE A 63 14.127 16.026 57.677 1.00 12.47 C HETATM 980 HE3 MSE A 63 13.316 15.499 58.180 1.00 0.00 H HETATM 981 HE2 MSE A 63 14.268 17.003 58.139 1.00 0.00 H HETATM 982 HE1 MSE A 63 15.046 15.446 57.762 1.00 0.00 H HETATM 983 HG2 MSE A 63 15.234 17.276 54.144 1.00 0.00 H HETATM 984 HG1 MSE A 63 16.149 16.603 55.513 1.00 0.00 H HETATM 985 HB2 MSE A 63 14.581 19.181 55.524 1.00 0.00 H HETATM 986 HB1 MSE A 63 15.512 18.510 56.884 1.00 0.00 H HETATM 987 HA MSE A 63 17.541 18.685 55.607 1.00 0.00 H HETATM 988 H MSE A 63 16.524 21.452 55.414 1.00 0.00 H ATOM 989 N ASP A 64 17.595 18.781 53.123 1.00 12.76 N ATOM 990 CA ASP A 64 17.665 18.856 51.679 1.00 12.54 C ATOM 991 C ASP A 64 16.714 17.896 50.978 1.00 16.20 C ATOM 992 O ASP A 64 16.081 17.045 51.603 1.00 13.76 O ATOM 993 CB ASP A 64 19.104 18.804 51.116 1.00 15.03 C ATOM 994 CG ASP A 64 19.861 17.540 51.404 1.00 22.42 C ATOM 995 OD1 ASP A 64 21.069 17.519 51.543 1.00 24.23 O ATOM 996 OD2 ASP A 64 19.101 16.473 51.461 1.00 22.27 O ATOM 997 HA ASP A 64 17.305 19.856 51.438 1.00 0.00 H ATOM 998 HB2 ASP A 64 19.047 18.923 50.034 1.00 0.00 H ATOM 999 HB3 ASP A 64 19.663 19.636 51.543 1.00 0.00 H ATOM 1000 H ASP A 64 18.285 18.201 53.642 1.00 0.00 H ATOM 1001 N GLY A 65 16.618 18.058 49.661 1.00 15.96 N ATOM 1002 CA GLY A 65 15.741 17.249 48.840 1.00 14.80 C ATOM 1003 C GLY A 65 16.023 15.759 48.922 1.00 15.35 C ATOM 1004 O GLY A 65 15.104 14.944 48.901 1.00 15.76 O ATOM 1005 HA3 GLY A 65 15.855 17.564 47.803 1.00 0.00 H ATOM 1006 HA2 GLY A 65 14.714 17.422 49.160 1.00 0.00 H ATOM 1007 H GLY A 65 17.194 18.793 49.204 1.00 0.00 H ATOM 1008 N LEU A 66 17.296 15.392 48.999 1.00 12.00 N ATOM 1009 CA LEU A 66 17.628 13.985 49.066 1.00 13.40 C ATOM 1010 C LEU A 66 17.126 13.360 50.356 1.00 15.08 C ATOM 1011 O LEU A 66 16.555 12.274 50.356 1.00 15.77 O ATOM 1012 CB LEU A 66 19.125 13.708 48.812 1.00 13.97 C ATOM 1013 CG LEU A 66 19.490 12.224 48.779 1.00 20.14 C ATOM 1014 CD1 LEU A 66 18.803 11.530 47.615 1.00 17.68 C ATOM 1015 CD2 LEU A 66 20.996 12.060 48.625 1.00 21.12 C ATOM 1016 HA LEU A 66 17.102 13.496 48.246 1.00 0.00 H ATOM 1017 HB2 LEU A 66 19.397 14.149 47.853 1.00 0.00 H ATOM 1018 HB3 LEU A 66 19.701 14.185 49.605 1.00 0.00 H ATOM 1019 HG LEU A 66 19.160 11.774 49.715 1.00 0.00 H ATOM 1020 HD21 LEU A 66 21.318 12.529 47.696 1.00 0.00 H ATOM 1021 HD22 LEU A 66 21.500 12.535 49.467 1.00 0.00 H ATOM 1022 HD23 LEU A 66 21.244 10.999 48.603 1.00 0.00 H ATOM 1023 HD11 LEU A 66 17.723 11.626 47.723 1.00 0.00 H ATOM 1024 HD12 LEU A 66 19.119 11.993 46.680 1.00 0.00 H ATOM 1025 HD13 LEU A 66 19.076 10.475 47.610 1.00 0.00 H ATOM 1026 H LEU A 66 18.049 16.110 49.011 1.00 0.00 H ATOM 1027 N GLU A 67 17.324 14.055 51.469 1.00 14.93 N ATOM 1028 CA GLU A 67 16.860 13.524 52.737 1.00 12.74 C ATOM 1029 C GLU A 67 15.340 13.440 52.758 1.00 13.84 C ATOM 1030 O GLU A 67 14.761 12.465 53.232 1.00 13.49 O ATOM 1031 CB GLU A 67 17.414 14.285 53.959 1.00 14.61 C ATOM 1032 CG GLU A 67 16.879 13.737 55.295 1.00 13.80 C ATOM 1033 CD GLU A 67 17.492 14.405 56.491 1.00 19.18 C ATOM 1034 OE1 GLU A 67 18.261 15.342 56.407 1.00 20.65 O ATOM 1035 OE2 GLU A 67 17.101 13.882 57.629 1.00 19.76 O ATOM 1036 HA GLU A 67 17.261 12.514 52.822 1.00 0.00 H ATOM 1037 HB2 GLU A 67 18.501 14.202 53.958 1.00 0.00 H ATOM 1038 HB3 GLU A 67 17.131 15.334 53.874 1.00 0.00 H ATOM 1039 HG2 GLU A 67 15.800 13.890 55.326 1.00 0.00 H ATOM 1040 HG3 GLU A 67 17.095 12.670 55.344 1.00 0.00 H ATOM 1041 H GLU A 67 17.809 14.974 51.433 1.00 0.00 H ATOM 1042 N LEU A 68 14.707 14.477 52.217 1.00 11.45 N ATOM 1043 CA LEU A 68 13.258 14.559 52.142 1.00 10.63 C ATOM 1044 C LEU A 68 12.727 13.360 51.384 1.00 11.88 C ATOM 1045 O LEU A 68 11.793 12.680 51.805 1.00 13.38 O ATOM 1046 CB LEU A 68 12.819 15.879 51.468 1.00 11.75 C ATOM 1047 CG LEU A 68 11.308 15.990 51.231 1.00 12.60 C ATOM 1048 CD1 LEU A 68 10.550 15.889 52.553 1.00 14.54 C ATOM 1049 CD2 LEU A 68 10.973 17.319 50.560 1.00 10.37 C ATOM 1050 HA LEU A 68 12.845 14.552 53.151 1.00 0.00 H ATOM 1051 HB2 LEU A 68 13.127 16.708 52.105 1.00 0.00 H ATOM 1052 HB3 LEU A 68 13.323 15.956 50.505 1.00 0.00 H ATOM 1053 HG LEU A 68 11.006 15.169 50.580 1.00 0.00 H ATOM 1054 HD21 LEU A 68 11.294 18.140 51.201 1.00 0.00 H ATOM 1055 HD22 LEU A 68 11.489 17.381 49.602 1.00 0.00 H ATOM 1056 HD23 LEU A 68 9.897 17.382 50.399 1.00 0.00 H ATOM 1057 HD11 LEU A 68 10.766 14.929 53.022 1.00 0.00 H ATOM 1058 HD12 LEU A 68 10.865 16.696 53.214 1.00 0.00 H ATOM 1059 HD13 LEU A 68 9.480 15.970 52.364 1.00 0.00 H ATOM 1060 H LEU A 68 15.272 15.261 51.832 1.00 0.00 H ATOM 1061 N LEU A 69 13.369 13.114 50.250 1.00 14.14 N ATOM 1062 CA LEU A 69 13.043 12.017 49.356 1.00 16.07 C ATOM 1063 C LEU A 69 13.195 10.658 50.042 1.00 20.48 C ATOM 1064 O LEU A 69 12.297 9.816 50.000 1.00 14.24 O ATOM 1065 CB LEU A 69 13.909 12.118 48.085 1.00 14.51 C ATOM 1066 CG LEU A 69 13.779 10.942 47.127 1.00 17.91 C ATOM 1067 CD1 LEU A 69 12.340 10.796 46.643 1.00 15.39 C ATOM 1068 CD2 LEU A 69 14.689 11.172 45.930 1.00 18.16 C ATOM 1069 HA LEU A 69 11.994 12.097 49.072 1.00 0.00 H ATOM 1070 HB2 LEU A 69 13.623 13.024 47.551 1.00 0.00 H ATOM 1071 HB3 LEU A 69 14.953 12.193 48.391 1.00 0.00 H ATOM 1072 HG LEU A 69 14.065 10.030 47.650 1.00 0.00 H ATOM 1073 HD21 LEU A 69 14.396 12.092 45.424 1.00 0.00 H ATOM 1074 HD22 LEU A 69 15.721 11.256 46.271 1.00 0.00 H ATOM 1075 HD23 LEU A 69 14.600 10.332 45.241 1.00 0.00 H ATOM 1076 HD11 LEU A 69 11.686 10.628 47.498 1.00 0.00 H ATOM 1077 HD12 LEU A 69 12.038 11.707 46.126 1.00 0.00 H ATOM 1078 HD13 LEU A 69 12.272 9.949 45.960 1.00 0.00 H ATOM 1079 H LEU A 69 14.153 13.744 49.985 1.00 0.00 H ATOM 1080 N LYS A 70 14.342 10.452 50.690 1.00 14.28 N ATOM 1081 CA LYS A 70 14.602 9.203 51.384 1.00 13.94 C ATOM 1082 C LYS A 70 13.618 8.974 52.519 1.00 16.96 C ATOM 1083 O LYS A 70 13.160 7.857 52.750 1.00 14.80 O ATOM 1084 CB LYS A 70 16.038 9.108 51.868 1.00 14.84 C ATOM 1085 CG LYS A 70 17.039 9.021 50.727 1.00 15.12 C ATOM 1086 CD LYS A 70 18.446 8.744 51.224 1.00 17.30 C ATOM 1087 CE LYS A 70 19.404 8.384 50.104 1.00 30.62 C ATOM 1088 NZ LYS A 70 20.816 8.530 50.488 1.00 41.02 N ATOM 1089 HA LYS A 70 14.455 8.404 50.658 1.00 0.00 H ATOM 1090 HB2 LYS A 70 16.264 9.992 52.464 1.00 0.00 H ATOM 1091 HB3 LYS A 70 16.139 8.218 52.489 1.00 0.00 H ATOM 1092 HG2 LYS A 70 16.738 8.217 50.055 1.00 0.00 H ATOM 1093 HG3 LYS A 70 17.037 9.966 50.184 1.00 0.00 H ATOM 1094 HD2 LYS A 70 18.819 9.635 51.729 1.00 0.00 H ATOM 1095 HD3 LYS A 70 18.409 7.915 51.931 1.00 0.00 H ATOM 1096 HE2 LYS A 70 19.206 9.036 49.253 1.00 0.00 H ATOM 1097 HE3 LYS A 70 19.227 7.348 49.815 1.00 0.00 H ATOM 1098 HZ1 LYS A 70 21.000 9.517 50.758 1.00 0.00 H ATOM 1099 HZ2 LYS A 70 21.021 7.905 51.294 1.00 0.00 H ATOM 1100 HZ3 LYS A 70 21.421 8.270 49.683 1.00 0.00 H ATOM 1101 H LYS A 70 15.064 11.200 50.699 1.00 0.00 H ATOM 1102 N THR A 71 13.287 10.052 53.228 1.00 15.07 N ATOM 1103 CA THR A 71 12.353 9.961 54.332 1.00 13.99 C ATOM 1104 C THR A 71 10.975 9.576 53.838 1.00 17.61 C ATOM 1105 O THR A 71 10.292 8.737 54.416 1.00 14.83 O ATOM 1106 CB THR A 71 12.292 11.260 55.145 1.00 14.10 C ATOM 1107 OG1 THR A 71 13.597 11.601 55.554 1.00 15.27 O ATOM 1108 CG2 THR A 71 11.411 11.043 56.371 1.00 15.49 C ATOM 1109 HA THR A 71 12.718 9.179 54.998 1.00 0.00 H ATOM 1110 HB THR A 71 11.875 12.064 54.539 1.00 0.00 H ATOM 1111 HG1 THR A 71 14.168 11.730 54.756 1.00 0.00 H ATOM 1112 HG23 THR A 71 10.403 10.780 56.050 1.00 0.00 H ATOM 1113 HG21 THR A 71 11.824 10.235 56.975 1.00 0.00 H ATOM 1114 HG22 THR A 71 11.378 11.959 56.960 1.00 0.00 H ATOM 1115 H THR A 71 13.705 10.973 52.986 1.00 0.00 H ATOM 1116 N ILE A 72 10.575 10.209 52.747 1.00 10.36 N ATOM 1117 CA ILE A 72 9.286 9.929 52.147 1.00 12.91 C ATOM 1118 C ILE A 72 9.206 8.478 51.686 1.00 15.90 C ATOM 1119 O ILE A 72 8.237 7.772 51.964 1.00 15.70 O ATOM 1120 CB ILE A 72 9.032 10.865 50.971 1.00 12.77 C ATOM 1121 CG1 ILE A 72 8.691 12.255 51.480 1.00 13.36 C ATOM 1122 CG2 ILE A 72 7.904 10.332 50.098 1.00 13.80 C ATOM 1123 CD1 ILE A 72 8.789 13.305 50.376 1.00 14.06 C ATOM 1124 HA ILE A 72 8.518 10.094 52.903 1.00 0.00 H ATOM 1125 HB ILE A 72 9.937 10.921 50.367 1.00 0.00 H ATOM 1126 HG12 ILE A 72 7.673 12.248 51.871 1.00 0.00 H ATOM 1127 HG13 ILE A 72 9.384 12.518 52.279 1.00 0.00 H ATOM 1128 HD11 ILE A 72 9.806 13.324 49.984 1.00 0.00 H ATOM 1129 HD12 ILE A 72 8.094 13.054 49.575 1.00 0.00 H ATOM 1130 HD13 ILE A 72 8.537 14.284 50.784 1.00 0.00 H ATOM 1131 HG21 ILE A 72 8.176 9.348 49.716 1.00 0.00 H ATOM 1132 HG22 ILE A 72 6.993 10.253 50.691 1.00 0.00 H ATOM 1133 HG23 ILE A 72 7.738 11.014 49.264 1.00 0.00 H ATOM 1134 H ILE A 72 11.197 10.920 52.312 1.00 0.00 H ATOM 1135 N ARG A 73 10.249 8.033 50.983 1.00 13.34 N ATOM 1136 CA ARG A 73 10.306 6.673 50.466 1.00 14.33 C ATOM 1137 C ARG A 73 10.314 5.570 51.527 1.00 15.25 C ATOM 1138 O ARG A 73 9.974 4.427 51.236 1.00 16.13 O ATOM 1139 CB ARG A 73 11.419 6.478 49.448 1.00 14.51 C ATOM 1140 CG ARG A 73 11.225 7.329 48.198 1.00 14.96 C ATOM 1141 CD ARG A 73 10.582 6.565 47.045 1.00 21.87 C ATOM 1142 NE ARG A 73 10.235 7.441 45.929 1.00 16.35 N ATOM 1143 CZ ARG A 73 9.149 8.207 45.894 1.00 14.11 C ATOM 1144 NH1 ARG A 73 8.266 8.235 46.895 1.00 16.46 N ATOM 1145 NH2 ARG A 73 8.943 8.974 44.825 1.00 14.67 N ATOM 1146 HA ARG A 73 9.354 6.557 49.949 1.00 0.00 H ATOM 1147 HB2 ARG A 73 12.368 6.749 49.911 1.00 0.00 H ATOM 1148 HB3 ARG A 73 11.445 5.428 49.156 1.00 0.00 H ATOM 1149 HG2 ARG A 73 10.588 8.176 48.451 1.00 0.00 H ATOM 1150 HG3 ARG A 73 12.199 7.693 47.872 1.00 0.00 H ATOM 1151 HD2 ARG A 73 9.675 6.081 47.407 1.00 0.00 H ATOM 1152 HD3 ARG A 73 11.281 5.807 46.692 1.00 0.00 H ATOM 1153 HE ARG A 73 10.877 7.467 45.111 1.00 0.00 H ATOM 1154 HH12 ARG A 73 7.428 8.847 46.832 1.00 0.00 H ATOM 1155 HH11 ARG A 73 8.417 7.645 47.738 1.00 0.00 H ATOM 1156 HH22 ARG A 73 8.100 9.581 44.775 1.00 0.00 H ATOM 1157 HH21 ARG A 73 9.625 8.966 44.040 1.00 0.00 H ATOM 1158 H ARG A 73 11.045 8.677 50.799 1.00 0.00 H ATOM 1159 N ALA A 74 10.699 5.908 52.756 1.00 14.64 N ATOM 1160 CA ALA A 74 10.735 4.935 53.836 1.00 16.15 C ATOM 1161 C ALA A 74 9.479 4.983 54.697 1.00 20.84 C ATOM 1162 O ALA A 74 9.278 4.141 55.573 1.00 18.89 O ATOM 1163 CB ALA A 74 11.976 5.104 54.703 1.00 18.61 C ATOM 1164 HA ALA A 74 10.777 3.954 53.363 1.00 0.00 H ATOM 1165 HB1 ALA A 74 12.867 4.971 54.090 1.00 0.00 H ATOM 1166 HB2 ALA A 74 11.980 6.103 55.139 1.00 0.00 H ATOM 1167 HB3 ALA A 74 11.966 4.359 55.498 1.00 0.00 H ATOM 1168 H ALA A 74 10.980 6.891 52.948 1.00 0.00 H ATOM 1169 N ASP A 75 8.635 5.982 54.452 1.00 15.32 N ATOM 1170 CA ASP A 75 7.406 6.139 55.215 1.00 15.24 C ATOM 1171 C ASP A 75 6.378 5.036 54.948 1.00 22.29 C ATOM 1172 O ASP A 75 6.171 4.593 53.815 1.00 19.97 O ATOM 1173 CB ASP A 75 6.800 7.547 55.062 1.00 13.23 C ATOM 1174 CG ASP A 75 5.717 7.805 56.067 1.00 15.45 C ATOM 1175 OD1 ASP A 75 5.936 8.082 57.233 1.00 18.43 O ATOM 1176 OD2 ASP A 75 4.525 7.708 55.546 1.00 13.45 O ATOM 1177 HA ASP A 75 7.694 6.027 56.260 1.00 0.00 H ATOM 1178 HB2 ASP A 75 7.589 8.287 55.197 1.00 0.00 H ATOM 1179 HB3 ASP A 75 6.381 7.643 54.060 1.00 0.00 H ATOM 1180 H ASP A 75 8.858 6.665 53.700 1.00 0.00 H ATOM 1181 N GLY A 76 5.724 4.586 56.017 1.00 16.32 N ATOM 1182 CA GLY A 76 4.729 3.536 55.908 1.00 17.22 C ATOM 1183 C GLY A 76 3.498 3.947 55.109 1.00 23.15 C ATOM 1184 O GLY A 76 2.770 3.103 54.591 1.00 18.58 O ATOM 1185 HA3 GLY A 76 4.411 3.255 56.912 1.00 0.00 H ATOM 1186 HA2 GLY A 76 5.187 2.676 55.419 1.00 0.00 H ATOM 1187 H GLY A 76 5.931 4.996 56.950 1.00 0.00 H ATOM 1188 N ALA A 77 3.256 5.252 55.008 1.00 19.16 N ATOM 1189 CA ALA A 77 2.099 5.719 54.279 1.00 17.79 C ATOM 1190 C ALA A 77 2.417 6.384 52.953 1.00 19.32 C ATOM 1191 O ALA A 77 1.699 6.194 51.971 1.00 21.63 O ATOM 1192 CB ALA A 77 1.276 6.649 55.153 1.00 19.67 C ATOM 1193 HA ALA A 77 1.525 4.827 54.027 1.00 0.00 H ATOM 1194 HB1 ALA A 77 0.948 6.113 56.043 1.00 0.00 H ATOM 1195 HB2 ALA A 77 1.885 7.504 55.446 1.00 0.00 H ATOM 1196 HB3 ALA A 77 0.406 6.995 54.595 1.00 0.00 H ATOM 1197 H ALA A 77 3.900 5.936 55.454 1.00 0.00 H HETATM 1198 N MSE A 78 3.490 7.173 52.925 1.00 17.78 N HETATM 1199 CA MSE A 78 3.871 7.913 51.725 1.00 20.45 C HETATM 1200 C MSE A 78 4.981 7.334 50.867 1.00 17.42 C HETATM 1201 O MSE A 78 5.488 8.009 49.968 1.00 19.81 O HETATM 1202 CB MSE A 78 4.340 9.292 52.124 1.00 21.10 C HETATM 1203 CG MSE A 78 3.693 9.896 53.334 1.00 38.03 C HETATM 1204 SE MSE A 78 4.266 11.725 53.569 1.00 35.15 S HETATM 1205 CE MSE A 78 5.780 11.428 54.699 1.00 14.08 C HETATM 1206 HE3 MSE A 78 6.244 12.384 54.941 1.00 0.00 H HETATM 1207 HE2 MSE A 78 6.500 10.794 54.181 1.00 0.00 H HETATM 1208 HE1 MSE A 78 5.456 10.937 55.617 1.00 0.00 H HETATM 1209 HG2 MSE A 78 2.610 9.872 53.211 1.00 0.00 H HETATM 1210 HG1 MSE A 78 3.970 9.317 54.215 1.00 0.00 H HETATM 1211 HB2 MSE A 78 4.157 9.960 51.282 1.00 0.00 H HETATM 1212 HB1 MSE A 78 5.412 9.235 52.315 1.00 0.00 H HETATM 1213 HA MSE A 78 2.964 7.884 51.121 1.00 0.00 H HETATM 1214 H MSE A 78 4.073 7.265 53.782 1.00 0.00 H ATOM 1215 N SER A 79 5.379 6.106 51.128 1.00 19.05 N ATOM 1216 CA SER A 79 6.454 5.509 50.360 1.00 17.80 C ATOM 1217 C SER A 79 6.383 5.696 48.845 1.00 14.10 C ATOM 1218 O SER A 79 7.417 5.771 48.197 1.00 19.11 O ATOM 1219 CB SER A 79 6.693 4.059 50.742 1.00 16.30 C ATOM 1220 OG SER A 79 5.603 3.274 50.299 1.00 22.73 O ATOM 1221 HA SER A 79 7.328 6.092 50.651 1.00 0.00 H ATOM 1222 HB2 SER A 79 6.784 3.978 51.825 1.00 0.00 H ATOM 1223 HB3 SER A 79 7.611 3.705 50.273 1.00 0.00 H ATOM 1224 HG SER A 79 4.770 3.597 50.726 1.00 0.00 H ATOM 1225 H SER A 79 4.921 5.563 51.887 1.00 0.00 H ATOM 1226 N ALA A 80 5.189 5.764 48.265 1.00 13.44 N ATOM 1227 CA ALA A 80 5.068 5.913 46.813 1.00 17.09 C ATOM 1228 C ALA A 80 4.730 7.319 46.331 1.00 18.22 C ATOM 1229 O ALA A 80 4.529 7.558 45.138 1.00 18.77 O ATOM 1230 CB ALA A 80 4.065 4.920 46.244 1.00 19.70 C ATOM 1231 HA ALA A 80 6.069 5.702 46.435 1.00 0.00 H ATOM 1232 HB1 ALA A 80 4.395 3.905 46.465 1.00 0.00 H ATOM 1233 HB2 ALA A 80 3.088 5.093 46.696 1.00 0.00 H ATOM 1234 HB3 ALA A 80 3.996 5.054 45.164 1.00 0.00 H ATOM 1235 H ALA A 80 4.330 5.711 48.849 1.00 0.00 H ATOM 1236 N LEU A 81 4.642 8.248 47.265 1.00 17.58 N ATOM 1237 CA LEU A 81 4.324 9.627 46.949 1.00 17.35 C ATOM 1238 C LEU A 81 5.223 10.144 45.827 1.00 22.07 C ATOM 1239 O LEU A 81 6.446 10.040 45.901 1.00 17.32 O ATOM 1240 CB LEU A 81 4.504 10.469 48.231 1.00 16.49 C ATOM 1241 CG LEU A 81 3.938 11.883 48.173 1.00 18.47 C ATOM 1242 CD1 LEU A 81 2.453 11.867 47.827 1.00 18.26 C ATOM 1243 CD2 LEU A 81 4.139 12.554 49.526 1.00 16.90 C ATOM 1244 HA LEU A 81 3.294 9.702 46.599 1.00 0.00 H ATOM 1245 HB2 LEU A 81 4.012 9.944 49.050 1.00 0.00 H ATOM 1246 HB3 LEU A 81 5.572 10.543 48.437 1.00 0.00 H ATOM 1247 HG LEU A 81 4.462 12.437 47.394 1.00 0.00 H ATOM 1248 HD21 LEU A 81 3.620 11.981 50.295 1.00 0.00 H ATOM 1249 HD22 LEU A 81 5.204 12.593 49.756 1.00 0.00 H ATOM 1250 HD23 LEU A 81 3.736 13.566 49.492 1.00 0.00 H ATOM 1251 HD11 LEU A 81 2.313 11.395 46.855 1.00 0.00 H ATOM 1252 HD12 LEU A 81 1.910 11.305 48.587 1.00 0.00 H ATOM 1253 HD13 LEU A 81 2.078 12.890 47.793 1.00 0.00 H ATOM 1254 H LEU A 81 4.806 7.983 48.257 1.00 0.00 H ATOM 1255 N PRO A 82 4.642 10.698 44.768 1.00 17.40 N ATOM 1256 CA PRO A 82 5.492 11.202 43.706 1.00 13.27 C ATOM 1257 C PRO A 82 6.322 12.375 44.201 1.00 15.07 C ATOM 1258 O PRO A 82 5.830 13.220 44.957 1.00 13.00 O ATOM 1259 CB PRO A 82 4.578 11.656 42.568 1.00 15.52 C ATOM 1260 CG PRO A 82 3.161 11.241 42.942 1.00 23.14 C ATOM 1261 CD PRO A 82 3.205 10.701 44.364 1.00 19.34 C ATOM 1262 HA PRO A 82 6.179 10.425 43.369 1.00 0.00 H ATOM 1263 HD3 PRO A 82 2.627 11.342 45.029 1.00 0.00 H ATOM 1264 HD2 PRO A 82 2.802 9.689 44.396 1.00 0.00 H ATOM 1265 HG3 PRO A 82 2.807 10.468 42.260 1.00 0.00 H ATOM 1266 HG2 PRO A 82 2.495 12.102 42.891 1.00 0.00 H ATOM 1267 HB2 PRO A 82 4.633 12.738 42.452 1.00 0.00 H ATOM 1268 HB3 PRO A 82 4.875 11.177 41.635 1.00 0.00 H ATOM 1269 N VAL A 83 7.583 12.409 43.767 1.00 11.59 N ATOM 1270 CA VAL A 83 8.508 13.463 44.134 1.00 12.64 C ATOM 1271 C VAL A 83 9.267 13.948 42.909 1.00 12.80 C ATOM 1272 O VAL A 83 10.094 13.218 42.350 1.00 15.17 O ATOM 1273 CB VAL A 83 9.479 13.060 45.237 1.00 13.56 C ATOM 1274 CG1 VAL A 83 10.391 14.243 45.562 1.00 14.07 C ATOM 1275 CG2 VAL A 83 8.718 12.630 46.488 1.00 13.92 C ATOM 1276 HA VAL A 83 7.906 14.276 44.539 1.00 0.00 H ATOM 1277 HB VAL A 83 10.079 12.218 44.894 1.00 0.00 H ATOM 1278 HG11 VAL A 83 10.948 14.526 44.669 1.00 0.00 H ATOM 1279 HG12 VAL A 83 9.786 15.085 45.897 1.00 0.00 H ATOM 1280 HG13 VAL A 83 11.087 13.958 46.351 1.00 0.00 H ATOM 1281 HG21 VAL A 83 8.104 13.459 46.841 1.00 0.00 H ATOM 1282 HG22 VAL A 83 8.080 11.779 46.249 1.00 0.00 H ATOM 1283 HG23 VAL A 83 9.429 12.346 47.264 1.00 0.00 H ATOM 1284 H VAL A 83 7.916 11.649 43.140 1.00 0.00 H ATOM 1285 N LEU A 84 8.954 15.181 42.500 1.00 12.05 N ATOM 1286 CA LEU A 84 9.567 15.823 41.346 1.00 14.21 C ATOM 1287 C LEU A 84 10.593 16.847 41.786 1.00 13.91 C ATOM 1288 O LEU A 84 10.263 17.810 42.469 1.00 14.12 O ATOM 1289 CB LEU A 84 8.511 16.501 40.456 1.00 13.29 C ATOM 1290 CG LEU A 84 9.098 17.398 39.366 1.00 15.90 C ATOM 1291 CD1 LEU A 84 9.996 16.601 38.420 1.00 15.46 C ATOM 1292 CD2 LEU A 84 7.968 18.055 38.579 1.00 13.82 C ATOM 1293 HA LEU A 84 10.062 15.045 40.765 1.00 0.00 H ATOM 1294 HB2 LEU A 84 7.916 15.723 39.977 1.00 0.00 H ATOM 1295 HB3 LEU A 84 7.867 17.110 41.091 1.00 0.00 H ATOM 1296 HG LEU A 84 9.707 18.166 39.844 1.00 0.00 H ATOM 1297 HD21 LEU A 84 7.350 17.283 38.120 1.00 0.00 H ATOM 1298 HD22 LEU A 84 7.359 18.656 39.254 1.00 0.00 H ATOM 1299 HD23 LEU A 84 8.391 18.693 37.803 1.00 0.00 H ATOM 1300 HD11 LEU A 84 10.815 16.158 38.986 1.00 0.00 H ATOM 1301 HD12 LEU A 84 9.412 15.812 37.946 1.00 0.00 H ATOM 1302 HD13 LEU A 84 10.398 17.266 37.656 1.00 0.00 H ATOM 1303 H LEU A 84 8.235 15.710 43.034 1.00 0.00 H HETATM 1304 N MSE A 85 11.842 16.621 41.421 1.00 12.84 N HETATM 1305 CA MSE A 85 12.895 17.547 41.784 1.00 13.92 C HETATM 1306 C MSE A 85 12.950 18.664 40.749 1.00 13.05 C HETATM 1307 O MSE A 85 12.912 18.411 39.550 1.00 13.65 O HETATM 1308 CB MSE A 85 14.242 16.830 41.841 1.00 14.65 C HETATM 1309 CG MSE A 85 15.152 17.150 42.999 1.00 21.12 C HETATM 1310 SE MSE A 85 14.386 16.761 44.741 1.00 24.93 S HETATM 1311 CE MSE A 85 14.873 14.920 44.916 1.00 27.04 C HETATM 1312 HE3 MSE A 85 14.507 14.538 45.869 1.00 0.00 H HETATM 1313 HE2 MSE A 85 15.958 14.827 44.879 1.00 0.00 H HETATM 1314 HE1 MSE A 85 14.430 14.349 44.100 1.00 0.00 H HETATM 1315 HG2 MSE A 85 16.066 16.566 42.888 1.00 0.00 H HETATM 1316 HG1 MSE A 85 15.394 18.212 42.961 1.00 0.00 H HETATM 1317 HB2 MSE A 85 14.781 17.073 40.925 1.00 0.00 H HETATM 1318 HB1 MSE A 85 14.041 15.759 41.869 1.00 0.00 H HETATM 1319 HA MSE A 85 12.684 17.962 42.770 1.00 0.00 H HETATM 1320 H MSE A 85 12.072 15.771 40.868 1.00 0.00 H ATOM 1321 N VAL A 86 13.010 19.899 41.226 1.00 12.25 N ATOM 1322 CA VAL A 86 13.107 21.084 40.379 1.00 13.98 C ATOM 1323 C VAL A 86 14.260 21.874 40.973 1.00 12.34 C ATOM 1324 O VAL A 86 14.152 22.395 42.078 1.00 12.09 O ATOM 1325 CB VAL A 86 11.813 21.888 40.344 1.00 12.53 C ATOM 1326 CG1 VAL A 86 12.019 23.175 39.558 1.00 17.14 C ATOM 1327 CG2 VAL A 86 10.699 21.065 39.710 1.00 10.00 C ATOM 1328 HA VAL A 86 13.279 20.824 39.335 1.00 0.00 H ATOM 1329 HB VAL A 86 11.529 22.138 41.366 1.00 0.00 H ATOM 1330 HG11 VAL A 86 12.798 23.770 40.035 1.00 0.00 H ATOM 1331 HG12 VAL A 86 12.318 22.933 38.538 1.00 0.00 H ATOM 1332 HG13 VAL A 86 11.088 23.741 39.540 1.00 0.00 H ATOM 1333 HG21 VAL A 86 10.981 20.797 38.692 1.00 0.00 H ATOM 1334 HG22 VAL A 86 10.541 20.159 40.295 1.00 0.00 H ATOM 1335 HG23 VAL A 86 9.781 21.652 39.692 1.00 0.00 H ATOM 1336 H VAL A 86 12.987 20.031 42.257 1.00 0.00 H ATOM 1337 N THR A 87 15.392 21.907 40.277 1.00 9.84 N ATOM 1338 CA THR A 87 16.542 22.555 40.859 1.00 10.87 C ATOM 1339 C THR A 87 17.575 22.951 39.828 1.00 12.41 C ATOM 1340 O THR A 87 17.547 22.498 38.689 1.00 14.09 O ATOM 1341 CB THR A 87 17.184 21.511 41.812 1.00 12.45 C ATOM 1342 OG1 THR A 87 18.450 21.923 42.294 1.00 14.61 O ATOM 1343 CG2 THR A 87 17.357 20.191 41.069 1.00 13.41 C ATOM 1344 HA THR A 87 16.224 23.469 41.360 1.00 0.00 H ATOM 1345 HB THR A 87 16.517 21.401 42.667 1.00 0.00 H ATOM 1346 HG1 THR A 87 18.351 22.772 42.793 1.00 0.00 H ATOM 1347 HG23 THR A 87 16.390 19.859 40.691 1.00 0.00 H ATOM 1348 HG21 THR A 87 18.046 20.332 40.236 1.00 0.00 H ATOM 1349 HG22 THR A 87 17.759 19.442 41.751 1.00 0.00 H ATOM 1350 H THR A 87 15.447 21.475 39.333 1.00 0.00 H ATOM 1351 N ALA A 88 18.514 23.787 40.259 1.00 13.23 N ATOM 1352 CA ALA A 88 19.580 24.211 39.376 1.00 14.86 C ATOM 1353 C ALA A 88 20.613 23.094 39.244 1.00 17.06 C ATOM 1354 O ALA A 88 21.380 23.031 38.288 1.00 16.55 O ATOM 1355 CB ALA A 88 20.222 25.491 39.890 1.00 16.48 C ATOM 1356 HA ALA A 88 19.166 24.420 38.390 1.00 0.00 H ATOM 1357 HB1 ALA A 88 19.470 26.278 39.941 1.00 0.00 H ATOM 1358 HB2 ALA A 88 20.634 25.316 40.884 1.00 0.00 H ATOM 1359 HB3 ALA A 88 21.021 25.793 39.212 1.00 0.00 H ATOM 1360 H ALA A 88 18.483 24.139 41.237 1.00 0.00 H ATOM 1361 N GLU A 89 20.609 22.192 40.222 1.00 15.61 N ATOM 1362 CA GLU A 89 21.528 21.068 40.256 1.00 15.70 C ATOM 1363 C GLU A 89 21.382 20.162 39.048 1.00 13.49 C ATOM 1364 O GLU A 89 20.275 19.783 38.680 1.00 13.74 O ATOM 1365 CB GLU A 89 21.347 20.257 41.549 1.00 17.28 C ATOM 1366 CG GLU A 89 22.268 19.027 41.593 1.00 16.45 C ATOM 1367 CD GLU A 89 23.714 19.422 41.619 1.00 23.11 C ATOM 1368 OE1 GLU A 89 24.132 20.398 42.207 1.00 26.98 O ATOM 1369 OE2 GLU A 89 24.471 18.606 40.939 1.00 22.52 O ATOM 1370 HA GLU A 89 22.535 21.485 40.230 1.00 0.00 H ATOM 1371 HB2 GLU A 89 21.575 20.898 42.401 1.00 0.00 H ATOM 1372 HB3 GLU A 89 20.311 19.924 41.613 1.00 0.00 H ATOM 1373 HG2 GLU A 89 22.043 18.448 42.489 1.00 0.00 H ATOM 1374 HG3 GLU A 89 22.084 18.415 40.710 1.00 0.00 H ATOM 1375 H GLU A 89 19.920 22.296 40.994 1.00 0.00 H ATOM 1376 N ALA A 90 22.514 19.797 38.429 1.00 15.90 N ATOM 1377 CA ALA A 90 22.463 18.934 37.263 1.00 12.02 C ATOM 1378 C ALA A 90 23.630 17.959 37.126 1.00 15.57 C ATOM 1379 O ALA A 90 23.825 17.361 36.069 1.00 15.05 O ATOM 1380 CB ALA A 90 22.265 19.750 35.993 1.00 14.40 C ATOM 1381 HA ALA A 90 21.594 18.295 37.420 1.00 0.00 H ATOM 1382 HB1 ALA A 90 21.329 20.304 36.061 1.00 0.00 H ATOM 1383 HB2 ALA A 90 23.095 20.448 35.878 1.00 0.00 H ATOM 1384 HB3 ALA A 90 22.230 19.080 35.134 1.00 0.00 H ATOM 1385 H ALA A 90 23.431 20.133 38.785 1.00 0.00 H ATOM 1386 N LYS A 91 24.409 17.779 38.189 1.00 16.64 N ATOM 1387 CA LYS A 91 25.532 16.856 38.120 1.00 18.18 C ATOM 1388 C LYS A 91 25.093 15.400 38.049 1.00 22.47 C ATOM 1389 O LYS A 91 24.228 14.962 38.811 1.00 20.21 O ATOM 1390 CB LYS A 91 26.536 17.073 39.233 1.00 17.42 C ATOM 1391 CG LYS A 91 27.341 18.347 39.041 1.00 25.78 C ATOM 1392 CD LYS A 91 28.518 18.455 39.995 1.00 19.21 C ATOM 1393 CE LYS A 91 28.122 18.225 41.445 1.00 18.49 C ATOM 1394 NZ LYS A 91 27.324 19.330 41.994 1.00 24.96 N ATOM 1395 HA LYS A 91 26.038 17.084 37.182 1.00 0.00 H ATOM 1396 HB2 LYS A 91 26.001 17.135 40.181 1.00 0.00 H ATOM 1397 HB3 LYS A 91 27.221 16.225 39.258 1.00 0.00 H ATOM 1398 HG2 LYS A 91 27.719 18.369 38.019 1.00 0.00 H ATOM 1399 HG3 LYS A 91 26.683 19.201 39.202 1.00 0.00 H ATOM 1400 HD2 LYS A 91 29.264 17.711 39.715 1.00 0.00 H ATOM 1401 HD3 LYS A 91 28.950 19.452 39.905 1.00 0.00 H ATOM 1402 HE2 LYS A 91 29.028 18.118 42.042 1.00 0.00 H ATOM 1403 HE3 LYS A 91 27.537 17.307 41.506 1.00 0.00 H ATOM 1404 HZ1 LYS A 91 27.876 20.210 41.948 1.00 0.00 H ATOM 1405 HZ2 LYS A 91 26.452 19.437 41.437 1.00 0.00 H ATOM 1406 HZ3 LYS A 91 27.081 19.122 42.984 1.00 0.00 H ATOM 1407 H LYS A 91 24.216 18.298 39.069 1.00 0.00 H ATOM 1408 N LYS A 92 25.710 14.660 37.121 1.00 18.48 N ATOM 1409 CA LYS A 92 25.423 13.251 36.898 1.00 18.95 C ATOM 1410 C LYS A 92 25.310 12.453 38.196 1.00 21.54 C ATOM 1411 O LYS A 92 24.369 11.691 38.393 1.00 23.60 O ATOM 1412 CB LYS A 92 26.369 12.651 35.857 1.00 24.22 C ATOM 1413 CG LYS A 92 26.957 11.290 36.174 1.00 48.74 C ATOM 1414 CD LYS A 92 27.672 10.691 34.969 1.00 54.47 C ATOM 1415 CE LYS A 92 29.178 10.915 34.977 1.00 46.23 C ATOM 1416 NZ LYS A 92 29.923 9.772 35.525 1.00 47.24 N ATOM 1417 HA LYS A 92 24.425 13.179 36.465 1.00 0.00 H ATOM 1418 HB2 LYS A 92 25.817 12.563 34.921 1.00 0.00 H ATOM 1419 HB3 LYS A 92 27.198 13.346 35.724 1.00 0.00 H ATOM 1420 HG2 LYS A 92 27.670 11.394 36.992 1.00 0.00 H ATOM 1421 HG3 LYS A 92 26.153 10.619 36.478 1.00 0.00 H ATOM 1422 HD2 LYS A 92 27.484 9.617 34.955 1.00 0.00 H ATOM 1423 HD3 LYS A 92 27.262 11.142 34.066 1.00 0.00 H ATOM 1424 HE2 LYS A 92 29.396 11.795 35.582 1.00 0.00 H ATOM 1425 HE3 LYS A 92 29.510 11.088 33.953 1.00 0.00 H ATOM 1426 HZ1 LYS A 92 29.622 9.602 36.506 1.00 0.00 H ATOM 1427 HZ2 LYS A 92 29.731 8.927 34.950 1.00 0.00 H ATOM 1428 HZ3 LYS A 92 30.941 9.982 35.505 1.00 0.00 H ATOM 1429 H LYS A 92 26.433 15.116 36.528 1.00 0.00 H ATOM 1430 N GLU A 93 26.264 12.662 39.094 1.00 20.05 N ATOM 1431 CA GLU A 93 26.276 11.986 40.371 1.00 21.83 C ATOM 1432 C GLU A 93 24.957 12.154 41.109 1.00 26.79 C ATOM 1433 O GLU A 93 24.376 11.186 41.591 1.00 28.10 O ATOM 1434 CB GLU A 93 27.429 12.502 41.253 1.00 25.29 C ATOM 1435 CG GLU A 93 27.541 11.768 42.603 1.00 55.12 C ATOM 1436 CD GLU A 93 28.950 11.354 42.927 1.00100.00 C ATOM 1437 OE1 GLU A 93 29.895 11.556 42.186 1.00100.00 O ATOM 1438 OE2 GLU A 93 29.052 10.765 44.093 1.00100.00 O ATOM 1439 HA GLU A 93 26.424 10.925 40.169 1.00 0.00 H ATOM 1440 HB2 GLU A 93 28.365 12.372 40.710 1.00 0.00 H ATOM 1441 HB3 GLU A 93 27.268 13.562 41.448 1.00 0.00 H ATOM 1442 HG2 GLU A 93 27.183 12.431 43.391 1.00 0.00 H ATOM 1443 HG3 GLU A 93 26.915 10.876 42.568 1.00 0.00 H ATOM 1444 H GLU A 93 27.027 13.333 38.872 1.00 0.00 H ATOM 1445 N ASN A 94 24.497 13.400 41.206 1.00 17.42 N ATOM 1446 CA ASN A 94 23.259 13.691 41.907 1.00 15.62 C ATOM 1447 C ASN A 94 22.014 13.133 41.228 1.00 18.29 C ATOM 1448 O ASN A 94 21.088 12.685 41.895 1.00 17.91 O ATOM 1449 CB ASN A 94 23.138 15.163 42.326 1.00 17.44 C ATOM 1450 CG ASN A 94 24.173 15.527 43.371 1.00 23.53 C ATOM 1451 OD1 ASN A 94 24.421 14.769 44.323 1.00 24.44 O ATOM 1452 ND2 ASN A 94 24.805 16.680 43.189 1.00 28.56 N ATOM 1453 HA ASN A 94 23.321 13.132 42.841 1.00 0.00 H ATOM 1454 HB2 ASN A 94 23.281 15.795 41.449 1.00 0.00 H ATOM 1455 HB3 ASN A 94 22.143 15.334 42.737 1.00 0.00 H ATOM 1456 HD22 ASN A 94 24.564 17.283 42.377 1.00 0.00 H ATOM 1457 HD21 ASN A 94 25.542 16.981 43.859 1.00 0.00 H ATOM 1458 H ASN A 94 25.034 14.178 40.772 1.00 0.00 H ATOM 1459 N ILE A 95 22.002 13.135 39.895 1.00 16.39 N ATOM 1460 CA ILE A 95 20.881 12.588 39.154 1.00 14.68 C ATOM 1461 C ILE A 95 20.755 11.111 39.497 1.00 20.29 C ATOM 1462 O ILE A 95 19.665 10.586 39.714 1.00 19.03 O ATOM 1463 CB ILE A 95 21.068 12.778 37.651 1.00 19.35 C ATOM 1464 CG1 ILE A 95 21.356 14.244 37.353 1.00 25.63 C ATOM 1465 CG2 ILE A 95 19.817 12.346 36.897 1.00 21.92 C ATOM 1466 CD1 ILE A 95 20.144 15.133 37.588 1.00 22.78 C ATOM 1467 HA ILE A 95 19.969 13.115 39.433 1.00 0.00 H ATOM 1468 HB ILE A 95 21.906 12.162 37.324 1.00 0.00 H ATOM 1469 HG12 ILE A 95 22.167 14.580 37.999 1.00 0.00 H ATOM 1470 HG13 ILE A 95 21.661 14.336 36.311 1.00 0.00 H ATOM 1471 HD11 ILE A 95 19.328 14.811 36.941 1.00 0.00 H ATOM 1472 HD12 ILE A 95 19.835 15.055 38.630 1.00 0.00 H ATOM 1473 HD13 ILE A 95 20.404 16.167 37.361 1.00 0.00 H ATOM 1474 HG21 ILE A 95 19.618 11.293 37.099 1.00 0.00 H ATOM 1475 HG22 ILE A 95 18.970 12.947 37.227 1.00 0.00 H ATOM 1476 HG23 ILE A 95 19.971 12.489 35.828 1.00 0.00 H ATOM 1477 H ILE A 95 22.810 13.536 39.377 1.00 0.00 H ATOM 1478 N ILE A 96 21.917 10.462 39.552 1.00 26.15 N ATOM 1479 CA ILE A 96 22.044 9.054 39.874 1.00 26.20 C ATOM 1480 C ILE A 96 21.523 8.781 41.273 1.00 23.74 C ATOM 1481 O ILE A 96 20.603 7.988 41.462 1.00 26.94 O ATOM 1482 CB ILE A 96 23.494 8.583 39.753 1.00 30.92 C ATOM 1483 CG1 ILE A 96 23.833 8.257 38.305 1.00 28.08 C ATOM 1484 CG2 ILE A 96 23.701 7.347 40.600 1.00 33.90 C ATOM 1485 CD1 ILE A 96 22.618 8.241 37.382 1.00 40.13 C ATOM 1486 HA ILE A 96 21.445 8.494 39.155 1.00 0.00 H ATOM 1487 HB ILE A 96 24.146 9.385 40.099 1.00 0.00 H ATOM 1488 HG12 ILE A 96 24.535 9.006 37.938 1.00 0.00 H ATOM 1489 HG13 ILE A 96 24.303 7.274 38.274 1.00 0.00 H ATOM 1490 HD11 ILE A 96 21.910 7.488 37.729 1.00 0.00 H ATOM 1491 HD12 ILE A 96 22.142 9.222 37.393 1.00 0.00 H ATOM 1492 HD13 ILE A 96 22.937 8.002 36.368 1.00 0.00 H ATOM 1493 HG21 ILE A 96 23.482 7.581 41.642 1.00 0.00 H ATOM 1494 HG22 ILE A 96 23.034 6.557 40.256 1.00 0.00 H ATOM 1495 HG23 ILE A 96 24.736 7.016 40.510 1.00 0.00 H ATOM 1496 H ILE A 96 22.786 10.998 39.352 1.00 0.00 H ATOM 1497 N ALA A 97 22.113 9.464 42.251 1.00 21.27 N ATOM 1498 CA ALA A 97 21.707 9.316 43.639 1.00 24.03 C ATOM 1499 C ALA A 97 20.204 9.500 43.810 1.00 23.34 C ATOM 1500 O ALA A 97 19.546 8.753 44.531 1.00 17.61 O ATOM 1501 CB ALA A 97 22.469 10.275 44.538 1.00 23.93 C ATOM 1502 HA ALA A 97 21.952 8.297 43.938 1.00 0.00 H ATOM 1503 HB1 ALA A 97 23.537 10.070 44.463 1.00 0.00 H ATOM 1504 HB2 ALA A 97 22.271 11.300 44.224 1.00 0.00 H ATOM 1505 HB3 ALA A 97 22.143 10.140 45.569 1.00 0.00 H ATOM 1506 H ALA A 97 22.885 10.121 42.016 1.00 0.00 H ATOM 1507 N ALA A 98 19.658 10.509 43.138 1.00 20.84 N ATOM 1508 CA ALA A 98 18.233 10.780 43.214 1.00 16.58 C ATOM 1509 C ALA A 98 17.428 9.670 42.561 1.00 21.32 C ATOM 1510 O ALA A 98 16.367 9.278 43.051 1.00 19.56 O ATOM 1511 CB ALA A 98 17.895 12.127 42.591 1.00 18.09 C ATOM 1512 HA ALA A 98 17.962 10.818 44.269 1.00 0.00 H ATOM 1513 HB1 ALA A 98 18.428 12.916 43.122 1.00 0.00 H ATOM 1514 HB2 ALA A 98 18.194 12.126 41.543 1.00 0.00 H ATOM 1515 HB3 ALA A 98 16.821 12.300 42.664 1.00 0.00 H ATOM 1516 H ALA A 98 20.262 11.115 42.547 1.00 0.00 H ATOM 1517 N ALA A 99 17.950 9.172 41.438 1.00 21.02 N ATOM 1518 CA ALA A 99 17.318 8.093 40.704 1.00 23.46 C ATOM 1519 C ALA A 99 17.267 6.855 41.582 1.00 24.70 C ATOM 1520 O ALA A 99 16.244 6.183 41.712 1.00 23.73 O ATOM 1521 CB ALA A 99 18.129 7.786 39.458 1.00 25.78 C ATOM 1522 HA ALA A 99 16.308 8.388 40.420 1.00 0.00 H ATOM 1523 HB1 ALA A 99 18.177 8.675 38.829 1.00 0.00 H ATOM 1524 HB2 ALA A 99 19.137 7.489 39.746 1.00 0.00 H ATOM 1525 HB3 ALA A 99 17.653 6.975 38.907 1.00 0.00 H ATOM 1526 H ALA A 99 18.840 9.571 41.077 1.00 0.00 H ATOM 1527 N GLN A 100 18.415 6.588 42.189 1.00 25.67 N ATOM 1528 CA GLN A 100 18.580 5.465 43.081 1.00 29.91 C ATOM 1529 C GLN A 100 17.605 5.562 44.238 1.00 27.74 C ATOM 1530 O GLN A 100 16.927 4.599 44.594 1.00 31.01 O ATOM 1531 CB GLN A 100 20.018 5.430 43.635 1.00 30.26 C ATOM 1532 CG GLN A 100 20.279 4.231 44.567 1.00 46.41 C ATOM 1533 CD GLN A 100 20.106 4.560 46.038 1.00 96.35 C ATOM 1534 OE1 GLN A 100 19.376 5.493 46.405 1.00 97.29 O ATOM 1535 NE2 GLN A 100 20.787 3.793 46.887 1.00100.00 N ATOM 1536 HA GLN A 100 18.384 4.552 42.519 1.00 0.00 H ATOM 1537 HB2 GLN A 100 20.712 5.375 42.796 1.00 0.00 H ATOM 1538 HB3 GLN A 100 20.197 6.349 44.193 1.00 0.00 H ATOM 1539 HG2 GLN A 100 19.583 3.434 44.307 1.00 0.00 H ATOM 1540 HG3 GLN A 100 21.301 3.886 44.408 1.00 0.00 H ATOM 1541 HE22 GLN A 100 21.386 3.023 46.527 1.00 0.00 H ATOM 1542 HE21 GLN A 100 20.720 3.964 47.911 1.00 0.00 H ATOM 1543 H GLN A 100 19.229 7.212 42.016 1.00 0.00 H ATOM 1544 N ALA A 101 17.552 6.756 44.820 1.00 19.54 N ATOM 1545 CA ALA A 101 16.703 7.021 45.960 1.00 17.91 C ATOM 1546 C ALA A 101 15.212 7.051 45.678 1.00 19.33 C ATOM 1547 O ALA A 101 14.419 7.147 46.614 1.00 22.99 O ATOM 1548 CB ALA A 101 17.176 8.203 46.791 1.00 18.86 C ATOM 1549 HA ALA A 101 16.825 6.132 46.579 1.00 0.00 H ATOM 1550 HB1 ALA A 101 18.180 8.004 47.165 1.00 0.00 H ATOM 1551 HB2 ALA A 101 17.188 9.100 46.171 1.00 0.00 H ATOM 1552 HB3 ALA A 101 16.497 8.350 47.631 1.00 0.00 H ATOM 1553 H ALA A 101 18.141 7.525 44.443 1.00 0.00 H ATOM 1554 N GLY A 102 14.815 6.977 44.408 1.00 14.35 N ATOM 1555 CA GLY A 102 13.394 6.961 44.083 1.00 15.11 C ATOM 1556 C GLY A 102 12.757 8.238 43.531 1.00 16.33 C ATOM 1557 O GLY A 102 11.535 8.310 43.428 1.00 16.79 O ATOM 1558 HA3 GLY A 102 12.858 6.702 44.996 1.00 0.00 H ATOM 1559 HA2 GLY A 102 13.242 6.178 43.340 1.00 0.00 H ATOM 1560 H GLY A 102 15.521 6.931 43.646 1.00 0.00 H ATOM 1561 N ALA A 103 13.543 9.243 43.152 1.00 17.65 N ATOM 1562 CA ALA A 103 12.933 10.450 42.607 1.00 17.30 C ATOM 1563 C ALA A 103 12.051 10.116 41.407 1.00 14.89 C ATOM 1564 O ALA A 103 12.395 9.269 40.595 1.00 16.92 O ATOM 1565 CB ALA A 103 13.973 11.502 42.255 1.00 17.90 C ATOM 1566 HA ALA A 103 12.300 10.878 43.384 1.00 0.00 H ATOM 1567 HB1 ALA A 103 14.530 11.775 43.152 1.00 0.00 H ATOM 1568 HB2 ALA A 103 14.658 11.099 41.509 1.00 0.00 H ATOM 1569 HB3 ALA A 103 13.474 12.384 41.853 1.00 0.00 H ATOM 1570 H ALA A 103 14.576 9.169 43.243 1.00 0.00 H ATOM 1571 N SER A 104 10.908 10.782 41.294 1.00 14.76 N ATOM 1572 CA SER A 104 9.973 10.534 40.204 1.00 16.37 C ATOM 1573 C SER A 104 10.302 11.269 38.911 1.00 22.93 C ATOM 1574 O SER A 104 9.802 10.929 37.834 1.00 19.43 O ATOM 1575 CB SER A 104 8.549 10.843 40.626 1.00 14.52 C ATOM 1576 OG SER A 104 8.344 10.390 41.951 1.00 19.00 O ATOM 1577 HA SER A 104 10.074 9.471 39.984 1.00 0.00 H ATOM 1578 HB2 SER A 104 7.853 10.338 39.957 1.00 0.00 H ATOM 1579 HB3 SER A 104 8.380 11.919 40.579 1.00 0.00 H ATOM 1580 HG SER A 104 8.497 9.413 41.992 1.00 0.00 H ATOM 1581 H SER A 104 10.673 11.503 42.005 1.00 0.00 H ATOM 1582 N GLY A 105 11.131 12.297 39.023 1.00 15.09 N ATOM 1583 CA GLY A 105 11.518 13.087 37.871 1.00 13.28 C ATOM 1584 C GLY A 105 12.465 14.191 38.286 1.00 15.31 C ATOM 1585 O GLY A 105 12.711 14.388 39.478 1.00 16.11 O ATOM 1586 HA3 GLY A 105 10.628 13.527 37.421 1.00 0.00 H ATOM 1587 HA2 GLY A 105 12.012 12.444 37.143 1.00 0.00 H ATOM 1588 H GLY A 105 11.513 12.542 39.959 1.00 0.00 H ATOM 1589 N TRP A 106 12.987 14.912 37.297 1.00 14.11 N ATOM 1590 CA TRP A 106 13.929 15.982 37.567 1.00 14.97 C ATOM 1591 C TRP A 106 13.885 17.026 36.468 1.00 16.22 C ATOM 1592 O TRP A 106 13.985 16.703 35.288 1.00 17.53 O ATOM 1593 CB TRP A 106 15.342 15.378 37.717 1.00 13.35 C ATOM 1594 CG TRP A 106 16.429 16.296 38.173 1.00 13.10 C ATOM 1595 CD1 TRP A 106 16.910 17.365 37.495 1.00 15.99 C ATOM 1596 CD2 TRP A 106 17.215 16.191 39.370 1.00 13.47 C ATOM 1597 NE1 TRP A 106 17.936 17.951 38.196 1.00 13.54 N ATOM 1598 CE2 TRP A 106 18.142 17.255 39.355 1.00 16.75 C ATOM 1599 CE3 TRP A 106 17.218 15.316 40.456 1.00 16.72 C ATOM 1600 CZ2 TRP A 106 19.059 17.454 40.388 1.00 15.23 C ATOM 1601 CZ3 TRP A 106 18.117 15.518 41.480 1.00 14.70 C ATOM 1602 CH2 TRP A 106 19.031 16.575 41.447 1.00 15.34 C ATOM 1603 HA TRP A 106 13.659 16.484 38.496 1.00 0.00 H ATOM 1604 HB2 TRP A 106 15.276 14.563 38.438 1.00 0.00 H ATOM 1605 HB3 TRP A 106 15.634 14.980 36.745 1.00 0.00 H ATOM 1606 HE1 TRP A 106 18.471 18.790 37.893 1.00 0.00 H ATOM 1607 HD1 TRP A 106 16.537 17.711 36.531 1.00 0.00 H ATOM 1608 HZ2 TRP A 106 19.773 18.277 40.357 1.00 0.00 H ATOM 1609 HH2 TRP A 106 19.732 16.705 42.272 1.00 0.00 H ATOM 1610 HZ3 TRP A 106 18.116 14.840 42.333 1.00 0.00 H ATOM 1611 HE3 TRP A 106 16.517 14.482 40.494 1.00 0.00 H ATOM 1612 H TRP A 106 12.715 14.705 36.315 1.00 0.00 H ATOM 1613 N VAL A 107 13.705 18.277 36.878 1.00 12.27 N ATOM 1614 CA VAL A 107 13.652 19.408 35.961 1.00 11.93 C ATOM 1615 C VAL A 107 14.714 20.420 36.355 1.00 13.00 C ATOM 1616 O VAL A 107 14.762 20.873 37.500 1.00 13.64 O ATOM 1617 CB VAL A 107 12.280 20.076 35.902 1.00 12.99 C ATOM 1618 CG1 VAL A 107 12.366 21.353 35.074 1.00 13.17 C ATOM 1619 CG2 VAL A 107 11.228 19.138 35.310 1.00 14.77 C ATOM 1620 HA VAL A 107 13.844 19.022 34.960 1.00 0.00 H ATOM 1621 HB VAL A 107 11.976 20.319 36.920 1.00 0.00 H ATOM 1622 HG11 VAL A 107 13.081 22.035 35.534 1.00 0.00 H ATOM 1623 HG12 VAL A 107 12.693 21.108 34.064 1.00 0.00 H ATOM 1624 HG13 VAL A 107 11.385 21.826 35.035 1.00 0.00 H ATOM 1625 HG21 VAL A 107 11.521 18.858 34.298 1.00 0.00 H ATOM 1626 HG22 VAL A 107 11.152 18.243 35.928 1.00 0.00 H ATOM 1627 HG23 VAL A 107 10.264 19.646 35.283 1.00 0.00 H ATOM 1628 H VAL A 107 13.597 18.456 37.897 1.00 0.00 H ATOM 1629 N VAL A 108 15.573 20.759 35.399 1.00 12.07 N ATOM 1630 CA VAL A 108 16.654 21.702 35.630 1.00 13.98 C ATOM 1631 C VAL A 108 16.239 23.161 35.460 1.00 14.07 C ATOM 1632 O VAL A 108 15.642 23.535 34.455 1.00 17.06 O ATOM 1633 CB VAL A 108 17.826 21.388 34.705 1.00 18.94 C ATOM 1634 CG1 VAL A 108 18.955 22.393 34.890 1.00 18.11 C ATOM 1635 CG2 VAL A 108 18.333 19.972 34.954 1.00 20.73 C ATOM 1636 HA VAL A 108 16.949 21.582 36.673 1.00 0.00 H ATOM 1637 HB VAL A 108 17.473 21.461 33.676 1.00 0.00 H ATOM 1638 HG11 VAL A 108 18.589 23.394 34.663 1.00 0.00 H ATOM 1639 HG12 VAL A 108 19.305 22.358 35.922 1.00 0.00 H ATOM 1640 HG13 VAL A 108 19.776 22.143 34.218 1.00 0.00 H ATOM 1641 HG21 VAL A 108 18.662 19.882 35.989 1.00 0.00 H ATOM 1642 HG22 VAL A 108 17.529 19.261 34.764 1.00 0.00 H ATOM 1643 HG23 VAL A 108 19.169 19.764 34.286 1.00 0.00 H ATOM 1644 H VAL A 108 15.468 20.336 34.455 1.00 0.00 H ATOM 1645 N LYS A 109 16.567 23.990 36.455 1.00 14.86 N ATOM 1646 CA LYS A 109 16.273 25.414 36.400 1.00 13.94 C ATOM 1647 C LYS A 109 17.414 26.068 35.643 1.00 16.81 C ATOM 1648 O LYS A 109 18.568 25.702 35.851 1.00 17.36 O ATOM 1649 CB LYS A 109 16.295 26.062 37.777 1.00 14.45 C ATOM 1650 CG LYS A 109 15.260 25.612 38.787 1.00 14.16 C ATOM 1651 CD LYS A 109 15.557 26.248 40.137 1.00 16.79 C ATOM 1652 CE LYS A 109 14.495 26.015 41.199 1.00 13.45 C ATOM 1653 NZ LYS A 109 14.901 26.569 42.500 1.00 14.66 N ATOM 1654 HA LYS A 109 15.288 25.538 35.949 1.00 0.00 H ATOM 1655 HB2 LYS A 109 17.277 25.871 38.210 1.00 0.00 H ATOM 1656 HB3 LYS A 109 16.165 27.135 37.634 1.00 0.00 H ATOM 1657 HG2 LYS A 109 14.269 25.917 38.452 1.00 0.00 H ATOM 1658 HG3 LYS A 109 15.292 24.527 38.882 1.00 0.00 H ATOM 1659 HD2 LYS A 109 16.499 25.841 40.504 1.00 0.00 H ATOM 1660 HD3 LYS A 109 15.660 27.323 39.990 1.00 0.00 H ATOM 1661 HE2 LYS A 109 14.331 24.943 41.306 1.00 0.00 H ATOM 1662 HE3 LYS A 109 13.568 26.494 40.884 1.00 0.00 H ATOM 1663 HZ1 LYS A 109 15.782 26.112 42.810 1.00 0.00 H ATOM 1664 HZ2 LYS A 109 15.054 27.593 42.407 1.00 0.00 H ATOM 1665 HZ3 LYS A 109 14.152 26.391 43.200 1.00 0.00 H ATOM 1666 H LYS A 109 17.047 23.606 37.294 1.00 0.00 H ATOM 1667 N PRO A 110 17.131 27.044 34.791 1.00 19.92 N ATOM 1668 CA PRO A 110 15.802 27.552 34.496 1.00 19.62 C ATOM 1669 C PRO A 110 15.071 26.627 33.539 1.00 15.65 C ATOM 1670 O PRO A 110 15.664 26.086 32.608 1.00 17.86 O ATOM 1671 CB PRO A 110 16.049 28.871 33.748 1.00 22.64 C ATOM 1672 CG PRO A 110 17.484 28.825 33.231 1.00 23.30 C ATOM 1673 CD PRO A 110 18.204 27.775 34.062 1.00 18.01 C ATOM 1674 HA PRO A 110 15.211 27.652 35.406 1.00 0.00 H ATOM 1675 HD3 PRO A 110 18.760 27.094 33.418 1.00 0.00 H ATOM 1676 HD2 PRO A 110 18.889 28.249 34.765 1.00 0.00 H ATOM 1677 HG3 PRO A 110 17.961 29.797 33.355 1.00 0.00 H ATOM 1678 HG2 PRO A 110 17.497 28.547 32.177 1.00 0.00 H ATOM 1679 HB2 PRO A 110 15.353 28.966 32.915 1.00 0.00 H ATOM 1680 HB3 PRO A 110 15.921 29.716 34.425 1.00 0.00 H ATOM 1681 N PHE A 111 13.780 26.456 33.756 1.00 13.43 N ATOM 1682 CA PHE A 111 13.001 25.597 32.887 1.00 15.50 C ATOM 1683 C PHE A 111 11.907 26.371 32.176 1.00 22.40 C ATOM 1684 O PHE A 111 11.430 27.394 32.664 1.00 20.56 O ATOM 1685 CB PHE A 111 12.354 24.439 33.670 1.00 13.61 C ATOM 1686 CG PHE A 111 11.507 24.938 34.816 1.00 15.92 C ATOM 1687 CD1 PHE A 111 10.235 25.471 34.611 1.00 16.72 C ATOM 1688 CD2 PHE A 111 11.996 24.881 36.120 1.00 17.95 C ATOM 1689 CE1 PHE A 111 9.465 25.932 35.679 1.00 18.83 C ATOM 1690 CE2 PHE A 111 11.240 25.335 37.199 1.00 19.80 C ATOM 1691 CZ PHE A 111 9.970 25.867 36.977 1.00 19.54 C ATOM 1692 HA PHE A 111 13.696 25.193 32.151 1.00 0.00 H ATOM 1693 HB2 PHE A 111 11.725 23.863 32.992 1.00 0.00 H ATOM 1694 HB3 PHE A 111 13.141 23.798 34.066 1.00 0.00 H ATOM 1695 HD2 PHE A 111 12.991 24.473 36.300 1.00 0.00 H ATOM 1696 HE2 PHE A 111 11.639 25.275 38.211 1.00 0.00 H ATOM 1697 HZ PHE A 111 9.375 26.230 37.815 1.00 0.00 H ATOM 1698 HE1 PHE A 111 8.471 26.342 35.499 1.00 0.00 H ATOM 1699 HD1 PHE A 111 9.835 25.528 33.599 1.00 0.00 H ATOM 1700 H PHE A 111 13.320 26.940 34.554 1.00 0.00 H ATOM 1701 N THR A 112 11.502 25.859 31.019 1.00 14.92 N ATOM 1702 CA THR A 112 10.433 26.471 30.269 1.00 14.46 C ATOM 1703 C THR A 112 9.119 25.972 30.841 1.00 18.98 C ATOM 1704 O THR A 112 9.067 24.908 31.460 1.00 16.71 O ATOM 1705 CB THR A 112 10.490 26.090 28.777 1.00 18.95 C ATOM 1706 OG1 THR A 112 10.304 24.694 28.628 1.00 18.72 O ATOM 1707 CG2 THR A 112 11.817 26.519 28.167 1.00 20.99 C ATOM 1708 HA THR A 112 10.528 27.554 30.346 1.00 0.00 H ATOM 1709 HB THR A 112 9.689 26.610 28.251 1.00 0.00 H ATOM 1710 HG1 THR A 112 10.342 24.458 27.667 1.00 0.00 H ATOM 1711 HG23 THR A 112 11.942 27.595 28.291 1.00 0.00 H ATOM 1712 HG21 THR A 112 12.632 25.997 28.669 1.00 0.00 H ATOM 1713 HG22 THR A 112 11.824 26.271 27.106 1.00 0.00 H ATOM 1714 H THR A 112 11.963 25.004 30.648 1.00 0.00 H ATOM 1715 N ALA A 113 8.051 26.727 30.631 1.00 18.01 N ATOM 1716 CA ALA A 113 6.762 26.288 31.118 1.00 17.00 C ATOM 1717 C ALA A 113 6.436 24.935 30.506 1.00 18.97 C ATOM 1718 O ALA A 113 5.924 24.031 31.159 1.00 18.71 O ATOM 1719 CB ALA A 113 5.681 27.299 30.776 1.00 16.62 C ATOM 1720 HA ALA A 113 6.801 26.199 32.204 1.00 0.00 H ATOM 1721 HB1 ALA A 113 5.923 28.257 31.236 1.00 0.00 H ATOM 1722 HB2 ALA A 113 5.626 27.418 29.694 1.00 0.00 H ATOM 1723 HB3 ALA A 113 4.722 26.945 31.153 1.00 0.00 H ATOM 1724 H ALA A 113 8.139 27.628 30.120 1.00 0.00 H ATOM 1725 N ALA A 114 6.752 24.798 29.224 1.00 18.88 N ATOM 1726 CA ALA A 114 6.499 23.556 28.522 1.00 21.18 C ATOM 1727 C ALA A 114 7.204 22.371 29.171 1.00 18.89 C ATOM 1728 O ALA A 114 6.629 21.293 29.322 1.00 20.16 O ATOM 1729 CB ALA A 114 6.890 23.686 27.060 1.00 23.83 C ATOM 1730 HA ALA A 114 5.429 23.358 28.584 1.00 0.00 H ATOM 1731 HB1 ALA A 114 6.305 24.481 26.598 1.00 0.00 H ATOM 1732 HB2 ALA A 114 7.951 23.925 26.989 1.00 0.00 H ATOM 1733 HB3 ALA A 114 6.693 22.744 26.548 1.00 0.00 H ATOM 1734 H ALA A 114 7.188 25.594 28.716 1.00 0.00 H ATOM 1735 N THR A 115 8.461 22.572 29.554 1.00 17.38 N ATOM 1736 CA THR A 115 9.235 21.513 30.182 1.00 18.90 C ATOM 1737 C THR A 115 8.609 21.007 31.472 1.00 19.30 C ATOM 1738 O THR A 115 8.398 19.810 31.654 1.00 16.28 O ATOM 1739 CB THR A 115 10.710 21.903 30.384 1.00 21.53 C ATOM 1740 OG1 THR A 115 11.351 21.961 29.129 1.00 21.91 O ATOM 1741 CG2 THR A 115 11.409 20.889 31.284 1.00 16.68 C ATOM 1742 HA THR A 115 9.216 20.680 29.479 1.00 0.00 H ATOM 1743 HB THR A 115 10.761 22.880 30.864 1.00 0.00 H ATOM 1744 HG1 THR A 115 11.298 21.074 28.692 1.00 0.00 H ATOM 1745 HG23 THR A 115 10.905 20.854 32.250 1.00 0.00 H ATOM 1746 HG21 THR A 115 11.372 19.905 30.817 1.00 0.00 H ATOM 1747 HG22 THR A 115 12.448 21.187 31.426 1.00 0.00 H ATOM 1748 H THR A 115 8.899 23.503 29.402 1.00 0.00 H ATOM 1749 N LEU A 116 8.315 21.922 32.383 1.00 17.21 N ATOM 1750 CA LEU A 116 7.715 21.526 33.640 1.00 18.28 C ATOM 1751 C LEU A 116 6.407 20.789 33.414 1.00 19.28 C ATOM 1752 O LEU A 116 6.171 19.700 33.941 1.00 22.86 O ATOM 1753 CB LEU A 116 7.521 22.718 34.601 1.00 16.41 C ATOM 1754 CG LEU A 116 6.997 22.294 35.971 1.00 17.03 C ATOM 1755 CD1 LEU A 116 8.086 21.548 36.734 1.00 15.76 C ATOM 1756 CD2 LEU A 116 6.544 23.515 36.767 1.00 18.77 C ATOM 1757 HA LEU A 116 8.414 20.842 34.121 1.00 0.00 H ATOM 1758 HB2 LEU A 116 8.480 23.218 34.734 1.00 0.00 H ATOM 1759 HB3 LEU A 116 6.809 23.413 34.155 1.00 0.00 H ATOM 1760 HG LEU A 116 6.142 21.633 35.831 1.00 0.00 H ATOM 1761 HD21 LEU A 116 7.387 24.192 36.902 1.00 0.00 H ATOM 1762 HD22 LEU A 116 5.749 24.026 36.224 1.00 0.00 H ATOM 1763 HD23 LEU A 116 6.173 23.195 37.741 1.00 0.00 H ATOM 1764 HD11 LEU A 116 8.381 20.662 36.171 1.00 0.00 H ATOM 1765 HD12 LEU A 116 8.949 22.201 36.864 1.00 0.00 H ATOM 1766 HD13 LEU A 116 7.704 21.249 37.710 1.00 0.00 H ATOM 1767 H LEU A 116 8.515 22.925 32.196 1.00 0.00 H ATOM 1768 N GLU A 117 5.545 21.403 32.614 1.00 18.18 N ATOM 1769 CA GLU A 117 4.251 20.827 32.308 1.00 21.54 C ATOM 1770 C GLU A 117 4.326 19.425 31.713 1.00 27.82 C ATOM 1771 O GLU A 117 3.539 18.541 32.062 1.00 27.24 O ATOM 1772 CB GLU A 117 3.383 21.788 31.476 1.00 24.13 C ATOM 1773 CG GLU A 117 3.050 23.061 32.282 1.00 29.53 C ATOM 1774 CD GLU A 117 2.058 23.967 31.606 1.00 44.43 C ATOM 1775 OE1 GLU A 117 1.364 24.769 32.205 1.00 60.23 O ATOM 1776 OE2 GLU A 117 2.036 23.812 30.307 1.00 28.40 O ATOM 1777 HA GLU A 117 3.748 20.691 33.265 1.00 0.00 H ATOM 1778 HB2 GLU A 117 3.925 22.068 30.572 1.00 0.00 H ATOM 1779 HB3 GLU A 117 2.456 21.286 31.201 1.00 0.00 H ATOM 1780 HG2 GLU A 117 2.639 22.760 33.246 1.00 0.00 H ATOM 1781 HG3 GLU A 117 3.973 23.619 32.440 1.00 0.00 H ATOM 1782 H GLU A 117 5.804 22.320 32.197 1.00 0.00 H ATOM 1783 N GLU A 118 5.285 19.215 30.815 1.00 24.96 N ATOM 1784 CA GLU A 118 5.441 17.913 30.193 1.00 28.92 C ATOM 1785 C GLU A 118 5.906 16.861 31.179 1.00 25.35 C ATOM 1786 O GLU A 118 5.416 15.734 31.180 1.00 27.21 O ATOM 1787 CB GLU A 118 6.374 17.944 28.974 1.00 35.52 C ATOM 1788 CG GLU A 118 6.317 16.633 28.171 1.00 64.83 C ATOM 1789 CD GLU A 118 5.023 16.476 27.424 1.00100.00 C ATOM 1790 OE1 GLU A 118 3.940 16.795 27.884 1.00100.00 O ATOM 1791 OE2 GLU A 118 5.188 15.974 26.226 1.00100.00 O ATOM 1792 HA GLU A 118 4.447 17.638 29.841 1.00 0.00 H ATOM 1793 HB2 GLU A 118 6.078 18.768 28.325 1.00 0.00 H ATOM 1794 HB3 GLU A 118 7.396 18.103 29.317 1.00 0.00 H ATOM 1795 HG2 GLU A 118 7.139 16.625 27.455 1.00 0.00 H ATOM 1796 HG3 GLU A 118 6.428 15.795 28.859 1.00 0.00 H ATOM 1797 H GLU A 118 5.928 19.990 30.557 1.00 0.00 H ATOM 1798 N LYS A 119 6.870 17.237 32.014 1.00 22.67 N ATOM 1799 CA LYS A 119 7.383 16.314 33.005 1.00 25.67 C ATOM 1800 C LYS A 119 6.288 15.953 33.990 1.00 29.60 C ATOM 1801 O LYS A 119 6.154 14.799 34.401 1.00 24.27 O ATOM 1802 CB LYS A 119 8.646 16.808 33.696 1.00 26.93 C ATOM 1803 CG LYS A 119 9.920 16.354 32.996 1.00 32.62 C ATOM 1804 CD LYS A 119 10.397 17.327 31.926 1.00 33.03 C ATOM 1805 CE LYS A 119 11.476 16.761 31.012 1.00 39.41 C ATOM 1806 NZ LYS A 119 10.954 15.819 30.015 1.00 46.11 N ATOM 1807 HA LYS A 119 7.691 15.409 32.481 1.00 0.00 H ATOM 1808 HB2 LYS A 119 8.629 17.898 33.715 1.00 0.00 H ATOM 1809 HB3 LYS A 119 8.656 16.428 34.717 1.00 0.00 H ATOM 1810 HG2 LYS A 119 10.707 16.247 33.743 1.00 0.00 H ATOM 1811 HG3 LYS A 119 9.732 15.388 32.527 1.00 0.00 H ATOM 1812 HD2 LYS A 119 9.541 17.609 31.313 1.00 0.00 H ATOM 1813 HD3 LYS A 119 10.796 18.213 32.421 1.00 0.00 H ATOM 1814 HE2 LYS A 119 12.213 16.243 31.625 1.00 0.00 H ATOM 1815 HE3 LYS A 119 11.956 17.588 30.489 1.00 0.00 H ATOM 1816 HZ1 LYS A 119 10.501 15.018 30.500 1.00 0.00 H ATOM 1817 HZ2 LYS A 119 10.256 16.303 29.415 1.00 0.00 H ATOM 1818 HZ3 LYS A 119 11.737 15.471 29.426 1.00 0.00 H ATOM 1819 H LYS A 119 7.258 18.200 31.955 1.00 0.00 H ATOM 1820 N LEU A 120 5.489 16.956 34.357 1.00 20.69 N ATOM 1821 CA LEU A 120 4.392 16.723 35.270 1.00 21.02 C ATOM 1822 C LEU A 120 3.495 15.640 34.689 1.00 27.86 C ATOM 1823 O LEU A 120 3.274 14.594 35.293 1.00 25.21 O ATOM 1824 CB LEU A 120 3.577 18.010 35.517 1.00 25.25 C ATOM 1825 CG LEU A 120 4.040 18.791 36.746 1.00 30.74 C ATOM 1826 CD1 LEU A 120 3.240 20.081 36.911 1.00 25.43 C ATOM 1827 CD2 LEU A 120 3.922 17.927 37.998 1.00 27.87 C ATOM 1828 HA LEU A 120 4.796 16.404 36.231 1.00 0.00 H ATOM 1829 HB2 LEU A 120 3.671 18.653 34.642 1.00 0.00 H ATOM 1830 HB3 LEU A 120 2.531 17.737 35.654 1.00 0.00 H ATOM 1831 HG LEU A 120 5.086 19.060 36.602 1.00 0.00 H ATOM 1832 HD21 LEU A 120 2.883 17.629 38.136 1.00 0.00 H ATOM 1833 HD22 LEU A 120 4.544 17.039 37.885 1.00 0.00 H ATOM 1834 HD23 LEU A 120 4.256 18.498 38.865 1.00 0.00 H ATOM 1835 HD11 LEU A 120 3.375 20.706 36.028 1.00 0.00 H ATOM 1836 HD12 LEU A 120 2.184 19.839 37.028 1.00 0.00 H ATOM 1837 HD13 LEU A 120 3.592 20.615 37.794 1.00 0.00 H ATOM 1838 H LEU A 120 5.656 17.912 33.984 1.00 0.00 H ATOM 1839 N ASN A 121 2.988 15.907 33.487 1.00 28.18 N ATOM 1840 CA ASN A 121 2.121 14.980 32.789 1.00 27.79 C ATOM 1841 C ASN A 121 2.754 13.607 32.716 1.00 32.48 C ATOM 1842 O ASN A 121 2.100 12.581 32.893 1.00 32.19 O ATOM 1843 CB ASN A 121 1.761 15.493 31.387 1.00 29.11 C ATOM 1844 CG ASN A 121 0.619 16.488 31.426 1.00 45.70 C ATOM 1845 OD1 ASN A 121 -0.225 16.453 32.333 1.00 43.17 O ATOM 1846 ND2 ASN A 121 0.594 17.390 30.449 1.00 60.11 N ATOM 1847 HA ASN A 121 1.194 14.901 33.357 1.00 0.00 H ATOM 1848 HB2 ASN A 121 2.636 15.977 30.953 1.00 0.00 H ATOM 1849 HB3 ASN A 121 1.470 14.646 30.765 1.00 0.00 H ATOM 1850 HD22 ASN A 121 1.326 17.377 29.710 1.00 0.00 H ATOM 1851 HD21 ASN A 121 -0.158 18.108 30.424 1.00 0.00 H ATOM 1852 H ASN A 121 3.223 16.813 33.033 1.00 0.00 H ATOM 1853 N LYS A 122 4.054 13.608 32.457 1.00 29.83 N ATOM 1854 CA LYS A 122 4.791 12.371 32.375 1.00 34.82 C ATOM 1855 C LYS A 122 4.648 11.557 33.651 1.00 39.07 C ATOM 1856 O LYS A 122 4.214 10.408 33.614 1.00 34.62 O ATOM 1857 CB LYS A 122 6.244 12.581 32.000 1.00 40.80 C ATOM 1858 CG LYS A 122 6.515 12.178 30.562 1.00 66.37 C ATOM 1859 CD LYS A 122 7.971 12.331 30.159 1.00 86.31 C ATOM 1860 CE LYS A 122 8.151 12.509 28.662 1.00 88.23 C ATOM 1861 NZ LYS A 122 9.490 13.002 28.307 1.00100.00 N ATOM 1862 HA LYS A 122 4.348 11.794 31.563 1.00 0.00 H ATOM 1863 HB2 LYS A 122 6.493 13.635 32.125 1.00 0.00 H ATOM 1864 HB3 LYS A 122 6.870 11.980 32.660 1.00 0.00 H ATOM 1865 HG2 LYS A 122 6.229 11.134 30.435 1.00 0.00 H ATOM 1866 HG3 LYS A 122 5.907 12.802 29.907 1.00 0.00 H ATOM 1867 HD2 LYS A 122 8.383 13.203 30.666 1.00 0.00 H ATOM 1868 HD3 LYS A 122 8.515 11.440 30.472 1.00 0.00 H ATOM 1869 HE2 LYS A 122 7.410 13.223 28.304 1.00 0.00 H ATOM 1870 HE3 LYS A 122 7.992 11.547 28.174 1.00 0.00 H ATOM 1871 HZ1 LYS A 122 9.650 13.924 28.760 1.00 0.00 H ATOM 1872 HZ2 LYS A 122 10.206 12.324 28.637 1.00 0.00 H ATOM 1873 HZ3 LYS A 122 9.558 13.105 27.274 1.00 0.00 H ATOM 1874 H LYS A 122 4.548 14.511 32.311 1.00 0.00 H ATOM 1875 N ILE A 123 4.997 12.152 34.788 1.00 28.26 N ATOM 1876 CA ILE A 123 4.874 11.444 36.045 1.00 23.89 C ATOM 1877 C ILE A 123 3.465 10.895 36.237 1.00 27.19 C ATOM 1878 O ILE A 123 3.292 9.723 36.562 1.00 25.22 O ATOM 1879 CB ILE A 123 5.358 12.256 37.241 1.00 24.50 C ATOM 1880 CG1 ILE A 123 6.849 12.542 37.093 1.00 21.57 C ATOM 1881 CG2 ILE A 123 5.098 11.489 38.533 1.00 19.44 C ATOM 1882 CD1 ILE A 123 7.312 13.687 37.987 1.00 17.89 C ATOM 1883 HA ILE A 123 5.548 10.589 35.990 1.00 0.00 H ATOM 1884 HB ILE A 123 4.814 13.199 37.279 1.00 0.00 H ATOM 1885 HG12 ILE A 123 7.406 11.643 37.358 1.00 0.00 H ATOM 1886 HG13 ILE A 123 7.054 12.803 36.055 1.00 0.00 H ATOM 1887 HD11 ILE A 123 6.767 14.594 37.725 1.00 0.00 H ATOM 1888 HD12 ILE A 123 7.119 13.433 39.029 1.00 0.00 H ATOM 1889 HD13 ILE A 123 8.380 13.849 37.843 1.00 0.00 H ATOM 1890 HG21 ILE A 123 4.029 11.303 38.635 1.00 0.00 H ATOM 1891 HG22 ILE A 123 5.632 10.539 38.504 1.00 0.00 H ATOM 1892 HG23 ILE A 123 5.448 12.078 39.381 1.00 0.00 H ATOM 1893 H ILE A 123 5.359 13.127 34.774 1.00 0.00 H ATOM 1894 N PHE A 124 2.446 11.733 36.021 1.00 28.49 N ATOM 1895 CA PHE A 124 1.069 11.279 36.166 1.00 28.24 C ATOM 1896 C PHE A 124 0.880 10.007 35.378 1.00 39.63 C ATOM 1897 O PHE A 124 0.074 9.153 35.725 1.00 43.50 O ATOM 1898 CB PHE A 124 0.020 12.273 35.636 1.00 27.74 C ATOM 1899 CG PHE A 124 0.062 13.636 36.261 1.00 24.10 C ATOM 1900 CD1 PHE A 124 -0.471 14.731 35.583 1.00 26.70 C ATOM 1901 CD2 PHE A 124 0.634 13.833 37.516 1.00 29.97 C ATOM 1902 CE1 PHE A 124 -0.440 16.010 36.137 1.00 30.98 C ATOM 1903 CE2 PHE A 124 0.675 15.104 38.087 1.00 37.57 C ATOM 1904 CZ PHE A 124 0.135 16.189 37.395 1.00 34.23 C ATOM 1905 HA PHE A 124 0.916 11.153 37.238 1.00 0.00 H ATOM 1906 HB2 PHE A 124 0.175 12.388 34.563 1.00 0.00 H ATOM 1907 HB3 PHE A 124 -0.968 11.849 35.815 1.00 0.00 H ATOM 1908 HD2 PHE A 124 1.054 12.985 38.057 1.00 0.00 H ATOM 1909 HE2 PHE A 124 1.126 15.250 39.068 1.00 0.00 H ATOM 1910 HZ PHE A 124 0.163 17.183 37.841 1.00 0.00 H ATOM 1911 HE1 PHE A 124 -0.859 16.858 35.595 1.00 0.00 H ATOM 1912 HD1 PHE A 124 -0.921 14.585 34.601 1.00 0.00 H ATOM 1913 H PHE A 124 2.638 12.718 35.747 1.00 0.00 H ATOM 1914 N GLU A 125 1.619 9.906 34.282 1.00 38.34 N ATOM 1915 CA GLU A 125 1.533 8.736 33.442 1.00 41.66 C ATOM 1916 C GLU A 125 2.134 7.554 34.173 1.00 53.85 C ATOM 1917 O GLU A 125 1.433 6.668 34.658 1.00 56.78 O ATOM 1918 CB GLU A 125 2.287 8.940 32.119 1.00 44.18 C ATOM 1919 CG GLU A 125 1.453 9.623 31.025 1.00 51.08 C ATOM 1920 CD GLU A 125 2.315 10.153 29.917 1.00 84.18 C ATOM 1921 OE1 GLU A 125 3.366 9.636 29.580 1.00 52.84 O ATOM 1922 OE2 GLU A 125 1.821 11.232 29.364 1.00100.00 O ATOM 1923 HA GLU A 125 0.482 8.555 33.216 1.00 0.00 H ATOM 1924 HB2 GLU A 125 3.165 9.555 32.316 1.00 0.00 H ATOM 1925 HB3 GLU A 125 2.604 7.964 31.750 1.00 0.00 H ATOM 1926 HG2 GLU A 125 0.752 8.898 30.611 1.00 0.00 H ATOM 1927 HG3 GLU A 125 0.899 10.451 31.468 1.00 0.00 H ATOM 1928 H GLU A 125 2.267 10.678 34.025 1.00 0.00 H ATOM 1929 N LYS A 126 3.462 7.566 34.250 1.00 50.55 N ATOM 1930 CA LYS A 126 4.210 6.520 34.919 1.00 50.76 C ATOM 1931 HA LYS A 126 3.909 6.472 35.966 1.00 0.00 H ATOM 1932 H LYS A 126 3.982 8.354 33.815 1.00 0.00 H TER 1933 LYS A 126 HETATM 1934 N SER A 1 30.051 16.279 36.256 1.00 0.24 N HETATM 1935 CA SER A 1 29.606 16.291 34.876 1.00 0.09 C HETATM 1936 C SER A 1 28.156 16.720 34.761 1.00 0.23 C HETATM 1937 O SER A 1 27.249 16.032 35.214 1.00 -0.39 O HETATM 1938 N SER A 1 27.952 17.873 34.140 1.00 -0.26 N HETATM 1939 CA SER A 1 26.626 18.420 33.963 1.00 0.13 C HETATM 1940 C SER A 1 25.818 17.689 32.906 1.00 0.20 C HETATM 1941 O SER A 1 26.240 17.561 31.755 1.00 -0.39 O HETATM 1942 N SER A 1 24.633 17.234 33.299 1.00 -0.26 N HETATM 1943 CA SER A 1 23.734 16.567 32.378 1.00 0.13 C HETATM 1944 C SER A 1 22.709 17.572 31.885 1.00 0.20 C HETATM 1945 O SER A 1 22.263 18.437 32.640 1.00 -0.39 O HETATM 1946 N SER A 1 22.337 17.456 30.618 1.00 -0.26 N HETATM 1947 CA SER A 1 21.350 18.340 30.036 1.00 0.15 C HETATM 1948 C SER A 1 19.963 17.801 30.344 1.00 0.21 C HETATM 1949 O SER A 1 19.810 16.632 30.692 1.00 -0.39 O HETATM 1950 N SER A 1 18.945 18.638 30.203 1.00 -0.26 N HETATM 1951 CA SER A 1 17.598 18.174 30.458 1.00 0.13 C HETATM 1952 C SER A 1 17.336 16.886 29.691 1.00 0.20 C HETATM 1953 O SER A 1 16.796 15.913 30.222 1.00 -0.39 O HETATM 1954 N SER A 1 17.741 16.899 28.421 1.00 -0.26 N HETATM 1955 CA SER A 1 17.591 15.755 27.539 1.00 0.13 C HETATM 1956 C SER A 1 18.274 14.527 28.123 1.00 0.20 C HETATM 1957 O SER A 1 17.689 13.448 28.220 1.00 -0.39 O HETATM 1958 N SER A 1 19.532 14.693 28.518 1.00 -0.26 N HETATM 1959 CA SER A 1 20.258 13.589 29.103 1.00 0.13 C HETATM 1960 C SER A 1 19.567 13.102 30.369 1.00 0.20 C HETATM 1961 O SER A 1 19.302 11.912 30.535 1.00 -0.39 O HETATM 1962 N SER A 1 19.269 14.036 31.270 1.00 -0.26 N HETATM 1963 CA SER A 1 18.599 13.689 32.516 1.00 0.13 C HETATM 1964 C SER A 1 17.305 12.958 32.224 1.00 0.20 C HETATM 1965 O SER A 1 16.933 12.005 32.908 1.00 -0.39 O HETATM 1966 N SER A 1 16.625 13.446 31.193 1.00 -0.26 N HETATM 1967 CA SER A 1 15.372 12.881 30.759 1.00 0.14 C HETATM 1968 C SER A 1 15.496 11.376 30.549 1.00 0.21 C HETATM 1969 O SER A 1 14.585 10.614 30.859 1.00 -0.39 O HETATM 1970 N SER A 1 16.650 10.960 30.029 1.00 -0.26 N HETATM 1971 CA SER A 1 16.936 9.564 29.746 1.00 0.13 C HETATM 1972 C SER A 1 17.030 8.661 30.967 1.00 0.20 C HETATM 1973 O SER A 1 17.011 7.441 30.830 1.00 -0.39 O HETATM 1974 N SER A 1 17.137 9.236 32.163 1.00 -0.26 N HETATM 1975 CA SER A 1 17.245 8.410 33.353 1.00 0.13 C HETATM 1976 C SER A 1 16.273 8.744 34.471 1.00 0.20 C HETATM 1977 O SER A 1 16.077 7.937 35.376 1.00 -0.39 O HETATM 1978 N SER A 1 15.684 9.932 34.432 1.00 -0.26 N HETATM 1979 CA SER A 1 14.770 10.332 35.488 1.00 0.13 C HETATM 1980 C SER A 1 13.384 10.755 35.016 1.00 0.20 C HETATM 1981 O SER A 1 12.441 10.797 35.804 1.00 -0.39 O HETATM 1982 N SER A 1 13.253 11.080 33.734 1.00 -0.27 N HETATM 1983 CA SER A 1 11.969 11.515 33.217 1.00 0.11 C HETATM 1984 C SER A 1 11.418 10.631 32.108 1.00 0.06 C HETATM 1985 O SER A 1 10.588 11.132 31.320 1.00 -0.57 O HETATM 1986 OXT SER A 1 11.813 9.446 32.045 1.00 -0.57 O HETATM 1987 CB SER A 1 12.013 12.990 32.782 1.00 0.07 C HETATM 1988 CG SER A 1 12.669 13.878 33.816 1.00 0.18 C HETATM 1989 OD1 SER A 1 12.565 13.629 35.026 1.00 -0.40 O HETATM 1990 ND2 SER A 1 13.357 14.911 33.342 1.00 -0.30 N HETATM 1991 H100 SER A 1 13.816 15.538 33.972 1.00 0.18 H HETATM 1992 H101 SER A 1 13.416 15.062 32.355 1.00 0.18 H HETATM 1993 H98 SER A 1 10.983 13.341 32.618 1.00 0.05 H HETATM 1994 H99 SER A 1 12.580 13.064 31.842 1.00 0.05 H HETATM 1995 H97 SER A 1 11.257 11.447 34.053 1.00 0.08 H HETATM 1996 H96 SER A 1 14.043 11.024 33.123 1.00 0.19 H HETATM 1997 CB SER A 1 15.391 11.439 36.361 1.00 -0.01 C HETATM 1998 CG SER A 1 15.367 11.115 37.847 1.00 -0.04 C HETATM 1999 CD1 SER A 1 16.405 11.959 38.572 1.00 -0.06 C HETATM 2000 H90 SER A 1 16.385 11.722 39.646 1.00 0.02 H HETATM 2001 H91 SER A 1 16.177 13.025 38.427 1.00 0.02 H HETATM 2002 H92 SER A 1 17.404 11.740 38.167 1.00 0.02 H HETATM 2003 CD2 SER A 1 13.981 11.385 38.421 1.00 -0.06 C HETATM 2004 H93 SER A 1 13.239 10.771 37.891 1.00 0.02 H HETATM 2005 H94 SER A 1 13.733 12.449 38.296 1.00 0.02 H HETATM 2006 H95 SER A 1 13.971 11.130 39.491 1.00 0.02 H HETATM 2007 H89 SER A 1 15.610 10.051 37.986 1.00 0.03 H HETATM 2008 H87 SER A 1 14.829 12.370 36.197 1.00 0.03 H HETATM 2009 H88 SER A 1 16.437 11.583 36.051 1.00 0.03 H HETATM 2010 H86 SER A 1 14.628 9.449 36.128 1.00 0.08 H HETATM 2011 H85 SER A 1 15.870 10.555 33.672 1.00 0.19 H HETATM 2012 CB SER A 1 18.673 8.399 33.923 1.00 -0.01 C HETATM 2013 CG SER A 1 19.762 8.433 32.859 1.00 -0.04 C HETATM 2014 CD1 SER A 1 20.723 9.577 33.155 1.00 -0.06 C HETATM 2015 H79 SER A 1 21.510 9.603 32.387 1.00 0.02 H HETATM 2016 H80 SER A 1 21.180 9.425 34.144 1.00 0.02 H HETATM 2017 H81 SER A 1 20.173 10.529 33.148 1.00 0.02 H HETATM 2018 CD2 SER A 1 20.524 7.113 32.858 1.00 -0.06 C HETATM 2019 H82 SER A 1 19.828 6.288 32.644 1.00 0.02 H HETATM 2020 H83 SER A 1 20.987 6.956 33.843 1.00 0.02 H HETATM 2021 H84 SER A 1 21.307 7.142 32.086 1.00 0.02 H HETATM 2022 H78 SER A 1 19.302 8.588 31.872 1.00 0.03 H HETATM 2023 H76 SER A 1 18.801 7.484 34.520 1.00 0.03 H HETATM 2024 H77 SER A 1 18.794 9.280 34.571 1.00 0.03 H HETATM 2025 H75 SER A 1 17.014 7.384 33.031 1.00 0.08 H HETATM 2026 H74 SER A 1 17.143 10.233 32.242 1.00 0.19 H HETATM 2027 CB SER A 1 18.186 9.431 28.892 1.00 -0.02 C HETATM 2028 H71 SER A 1 18.382 8.367 28.692 1.00 0.03 H HETATM 2029 H72 SER A 1 19.043 9.867 29.426 1.00 0.03 H HETATM 2030 H73 SER A 1 18.038 9.962 27.940 1.00 0.03 H HETATM 2031 H70 SER A 1 16.091 9.191 29.148 1.00 0.08 H HETATM 2032 H69 SER A 1 17.353 11.641 29.824 1.00 0.19 H HETATM 2033 CB SER A 1 14.881 13.580 29.477 1.00 0.04 C HETATM 2034 CG SER A 1 14.207 14.902 29.733 1.00 0.04 C HETATM 2035 OD1 SER A 1 14.007 15.359 30.842 1.00 -0.57 O HETATM 2036 OD2 SER A 1 13.844 15.506 28.634 1.00 -0.57 O HETATM 2037 H67 SER A 1 14.164 12.916 28.971 1.00 0.05 H HETATM 2038 H68 SER A 1 15.747 13.752 28.821 1.00 0.05 H HETATM 2039 H66 SER A 1 14.627 13.054 31.549 1.00 0.08 H HETATM 2040 H65 SER A 1 16.995 14.233 30.700 1.00 0.19 H HETATM 2041 CB SER A 1 18.293 14.923 33.355 1.00 -0.00 C HETATM 2042 CG1 SER A 1 19.565 15.454 33.992 1.00 -0.05 C HETATM 2043 CD1 SER A 1 19.427 16.908 34.422 1.00 -0.06 C HETATM 2044 H62 SER A 1 20.370 17.247 34.876 1.00 0.02 H HETATM 2045 H63 SER A 1 18.613 16.997 35.157 1.00 0.02 H HETATM 2046 H64 SER A 1 19.198 17.530 33.544 1.00 0.02 H HETATM 2047 H57 SER A 1 20.386 15.376 33.264 1.00 0.03 H HETATM 2048 H58 SER A 1 19.800 14.844 34.876 1.00 0.03 H HETATM 2049 CG2 SER A 1 17.262 14.592 34.428 1.00 -0.06 C HETATM 2050 H59 SER A 1 16.347 14.209 33.952 1.00 0.02 H HETATM 2051 H60 SER A 1 17.024 15.501 35.001 1.00 0.02 H HETATM 2052 H61 SER A 1 17.670 13.828 35.105 1.00 0.02 H HETATM 2053 H56 SER A 1 17.878 15.701 32.697 1.00 0.03 H HETATM 2054 H55 SER A 1 19.261 13.027 33.094 1.00 0.08 H HETATM 2055 H54 SER A 1 19.509 14.990 31.089 1.00 0.19 H HETATM 2056 CB SER A 1 21.727 13.950 29.383 1.00 -0.00 C HETATM 2057 CG SER A 1 22.645 13.707 28.171 1.00 0.00 C HETATM 2058 CD SER A 1 23.622 14.825 27.950 1.00 0.04 C HETATM 2059 OE1 SER A 1 23.956 15.217 26.847 1.00 -0.57 O HETATM 2060 OE2 SER A 1 24.063 15.336 29.071 1.00 -0.57 O HETATM 2061 H52 SER A 1 22.020 13.603 27.272 1.00 0.04 H HETATM 2062 H53 SER A 1 23.207 12.776 28.337 1.00 0.04 H HETATM 2063 H50 SER A 1 22.085 13.337 30.223 1.00 0.03 H HETATM 2064 H51 SER A 1 21.781 15.014 29.656 1.00 0.03 H HETATM 2065 H49 SER A 1 20.251 12.763 28.376 1.00 0.08 H HETATM 2066 H48 SER A 1 19.976 15.582 28.410 1.00 0.19 H HETATM 2067 CB SER A 1 18.152 16.079 26.164 1.00 -0.02 C HETATM 2068 H45 SER A 1 18.033 15.207 25.505 1.00 0.03 H HETATM 2069 H46 SER A 1 19.220 16.329 26.253 1.00 0.03 H HETATM 2070 H47 SER A 1 17.609 16.936 25.739 1.00 0.03 H HETATM 2071 H44 SER A 1 16.518 15.536 27.434 1.00 0.08 H HETATM 2072 H43 SER A 1 18.165 17.730 28.061 1.00 0.19 H HETATM 2073 CB SER A 1 16.542 19.241 30.109 1.00 0.00 C HETATM 2074 CG SER A 1 15.109 18.808 30.469 1.00 0.04 C HETATM 2075 CD SER A 1 14.895 18.711 31.969 1.00 0.17 C HETATM 2076 OE1 SER A 1 15.045 19.703 32.694 1.00 -0.40 O HETATM 2077 NE2 SER A 1 14.560 17.512 32.444 1.00 -0.30 N HETATM 2078 H41 SER A 1 14.406 17.388 33.424 1.00 0.18 H HETATM 2079 H42 SER A 1 14.462 16.736 31.820 1.00 0.18 H HETATM 2080 H39 SER A 1 14.914 17.823 30.020 1.00 0.05 H HETATM 2081 H40 SER A 1 14.403 19.545 30.058 1.00 0.05 H HETATM 2082 H37 SER A 1 16.587 19.439 29.028 1.00 0.03 H HETATM 2083 H38 SER A 1 16.779 20.163 30.661 1.00 0.03 H HETATM 2084 H36 SER A 1 17.513 17.957 31.533 1.00 0.08 H HETATM 2085 H35 SER A 1 19.107 19.584 29.922 1.00 0.19 H HETATM 2086 CB SER A 1 21.523 18.406 28.531 1.00 0.08 C HETATM 2087 OG SER A 1 21.166 17.153 27.981 1.00 -0.39 O HETATM 2088 H34 SER A 1 21.270 17.181 27.037 1.00 0.21 H HETATM 2089 H32 SER A 1 22.572 18.632 28.288 1.00 0.06 H HETATM 2090 H33 SER A 1 20.873 19.191 28.117 1.00 0.06 H HETATM 2091 H31 SER A 1 21.462 19.347 30.463 1.00 0.08 H HETATM 2092 H30 SER A 1 22.748 16.741 30.052 1.00 0.19 H HETATM 2093 CB SER A 1 22.995 15.380 33.022 1.00 -0.01 C HETATM 2094 CG SER A 1 23.752 14.067 32.943 1.00 -0.04 C HETATM 2095 CD1 SER A 1 25.087 14.221 33.655 1.00 -0.06 C HETATM 2096 H24 SER A 1 25.642 13.273 33.602 1.00 0.02 H HETATM 2097 H25 SER A 1 24.912 14.485 34.708 1.00 0.02 H HETATM 2098 H26 SER A 1 25.672 15.016 33.169 1.00 0.02 H HETATM 2099 CD2 SER A 1 22.934 12.961 33.598 1.00 -0.06 C HETATM 2100 H27 SER A 1 21.971 12.858 33.075 1.00 0.02 H HETATM 2101 H28 SER A 1 22.753 13.214 34.653 1.00 0.02 H HETATM 2102 H29 SER A 1 23.487 12.012 33.538 1.00 0.02 H HETATM 2103 H23 SER A 1 23.929 13.810 31.888 1.00 0.03 H HETATM 2104 H21 SER A 1 22.030 15.254 32.510 1.00 0.03 H HETATM 2105 H22 SER A 1 22.820 15.615 34.082 1.00 0.03 H HETATM 2106 H20 SER A 1 24.319 16.194 31.525 1.00 0.08 H HETATM 2107 H19 SER A 1 24.355 17.355 34.252 1.00 0.19 H HETATM 2108 CB SER A 1 26.664 19.913 33.618 1.00 -0.00 C HETATM 2109 CG1 SER A 1 27.205 20.743 34.773 1.00 -0.05 C HETATM 2110 CD1 SER A 1 27.551 22.174 34.364 1.00 -0.06 C HETATM 2111 H16 SER A 1 27.935 22.722 35.237 1.00 0.02 H HETATM 2112 H17 SER A 1 26.648 22.675 33.984 1.00 0.02 H HETATM 2113 H18 SER A 1 28.319 22.155 33.576 1.00 0.02 H HETATM 2114 H11 SER A 1 28.114 20.258 35.158 1.00 0.03 H HETATM 2115 H12 SER A 1 26.444 20.779 35.566 1.00 0.03 H HETATM 2116 CG2 SER A 1 25.271 20.408 33.235 1.00 -0.06 C HETATM 2117 H13 SER A 1 24.884 19.805 32.400 1.00 0.02 H HETATM 2118 H14 SER A 1 25.328 21.463 32.930 1.00 0.02 H HETATM 2119 H15 SER A 1 24.597 20.312 34.099 1.00 0.02 H HETATM 2120 H10 SER A 1 27.332 20.048 32.754 1.00 0.03 H HETATM 2121 H9 SER A 1 26.099 18.308 34.922 1.00 0.08 H HETATM 2122 H8 SER A 1 28.738 18.379 33.784 1.00 0.19 H HETATM 2123 CB SER A 1 29.823 14.956 34.172 1.00 0.10 C HETATM 2124 OG SER A 1 31.201 14.658 34.063 1.00 -0.39 O HETATM 2125 H7 SER A 1 31.309 13.824 33.622 1.00 0.21 H HETATM 2126 H5 SER A 1 29.385 15.005 33.164 1.00 0.06 H HETATM 2127 H6 SER A 1 29.328 14.161 34.748 1.00 0.06 H HETATM 2128 H4 SER A 1 30.215 17.040 34.349 1.00 0.11 H HETATM 2129 H1 SER A 1 31.016 15.990 36.295 1.00 0.20 H HETATM 2130 H2 SER A 1 29.485 15.634 36.786 1.00 0.20 H HETATM 2131 H3 SER A 1 29.961 17.204 36.646 1.00 0.20 H HETATM 2132 HE3 MSE A 129 -1.698 10.769 41.817 1.00 0.00 H HETATM 2133 CE MSE A 129 -0.898 11.474 41.590 1.00 24.92 C HETATM 2134 SE MSE A 129 0.349 10.657 40.394 1.00 53.86 S HETATM 2135 HE2 MSE A 129 -1.319 12.364 41.122 1.00 0.00 H HETATM 2136 HE1 MSE A 129 -0.386 11.753 42.511 1.00 0.00 H HETATM 2137 O HOH 1 -1.977 26.309 41.638 1.00 14.29 O HETATM 2138 O HOH 2 -5.259 20.645 42.710 1.00 14.75 O HETATM 2139 O HOH 3 15.876 27.654 45.182 1.00 15.41 O HETATM 2140 O HOH 4 7.779 36.476 43.963 1.00 16.26 O HETATM 2141 O HOH 5 13.472 23.794 30.124 1.00 16.78 O HETATM 2142 O HOH 6 -3.006 28.006 43.428 1.00 16.83 O HETATM 2143 O HOH 7 7.092 27.113 27.401 1.00 17.11 O HETATM 2144 O HOH 8 19.545 17.036 54.781 1.00 17.16 O HETATM 2145 O HOH 9 0.468 13.684 53.034 1.00 18.25 O HETATM 2146 O HOH 10 5.018 19.174 64.131 1.00 18.38 O HETATM 2147 O HOH 11 17.687 25.177 42.842 1.00 18.57 O HETATM 2148 O HOH 12 15.378 25.817 47.991 1.00 20.13 O HETATM 2149 O HOH 13 -4.134 14.742 47.394 1.00 20.63 O HETATM 2150 O HOH 14 3.502 16.943 61.213 1.00 20.87 O HETATM 2151 O HOH 15 11.712 24.232 42.898 1.00 21.24 O HETATM 2152 O HOH 16 9.628 23.467 43.952 1.00 21.56 O HETATM 2153 O HOH 17 21.501 24.590 36.215 1.00 21.58 O HETATM 2154 O HOH 18 10.285 7.837 57.105 1.00 21.92 O HETATM 2155 O HOH 19 2.463 5.767 49.254 1.00 22.43 O HETATM 2156 O HOH 20 19.521 22.840 44.756 1.00 22.63 O HETATM 2157 O HOH 21 15.135 29.351 42.004 1.00 23.50 O HETATM 2158 O HOH 22 15.049 5.846 49.005 1.00 23.62 O HETATM 2159 O HOH 23 1.028 27.014 51.835 1.00 23.76 O HETATM 2160 O HOH 24 18.036 25.163 32.139 1.00 23.77 O HETATM 2161 O HOH 25 19.830 17.016 48.190 1.00 24.18 O HETATM 2162 O HOH 26 21.103 7.540 46.322 1.00 24.44 O HETATM 2163 O HOH 27 20.041 12.040 52.834 1.00 24.70 O HETATM 2164 O HOH 28 15.496 9.337 55.800 1.00 24.85 O HETATM 2165 O HOH 29 22.512 23.270 34.198 1.00 25.36 O HETATM 2166 O HOH 30 18.597 25.195 45.942 1.00 26.61 O HETATM 2167 O HOH 31 -0.556 10.566 44.881 1.00 26.67 O HETATM 2168 O HOH 32 7.947 7.667 41.638 1.00 26.98 O HETATM 2169 O HOH 33 14.377 5.661 51.382 1.00 27.10 O HETATM 2170 O HOH 34 4.259 3.848 52.159 1.00 27.27 O HETATM 2171 O HOH 35 22.016 23.401 44.951 1.00 27.64 O HETATM 2172 O HOH 36 12.043 34.396 48.646 1.00 28.28 O HETATM 2173 O HOH 37 18.764 16.979 58.441 1.00 28.37 O HETATM 2174 O HOH 38 0.913 39.211 44.880 1.00 28.78 O HETATM 2175 O HOH 39 17.565 5.177 49.019 1.00 28.85 O HETATM 2176 O HOH 40 3.247 9.550 57.182 1.00 29.19 O HETATM 2177 O HOH 41 -8.088 22.199 41.433 1.00 30.19 O HETATM 2178 O HOH 42 -0.602 20.881 55.202 1.00 30.22 O HETATM 2179 O HOH 43 5.110 32.255 46.676 1.00 30.29 O HETATM 2180 O HOH 44 2.730 31.397 45.619 1.00 30.56 O HETATM 2181 O HOH 45 1.474 11.425 55.959 1.00 31.30 O HETATM 2182 O HOH 46 20.832 14.509 52.264 1.00 31.66 O HETATM 2183 O HOH 47 8.943 25.319 61.016 1.00 31.66 O HETATM 2184 O HOH 48 21.140 23.903 57.369 1.00 32.28 O HETATM 2185 O HOH 49 20.915 21.202 54.494 1.00 32.40 O HETATM 2186 O HOH 50 6.682 35.454 46.397 1.00 33.04 O HETATM 2187 O HOH 51 11.731 34.834 46.334 1.00 33.12 O HETATM 2188 O HOH 52 7.810 26.631 55.115 1.00 33.39 O HETATM 2189 O HOH 53 -1.578 29.841 28.737 1.00 34.00 O HETATM 2190 O HOH 54 23.368 6.337 44.690 1.00 34.76 O HETATM 2191 O HOH 55 4.562 7.729 59.787 1.00 34.91 O HETATM 2192 O HOH 56 -6.953 15.986 47.517 1.00 34.95 O HETATM 2193 O HOH 57 28.984 14.003 38.934 1.00 35.12 O HETATM 2194 O HOH 58 14.481 27.621 55.732 1.00 35.21 O HETATM 2195 O HOH 59 10.613 23.781 26.310 1.00 35.22 O HETATM 2196 O HOH 60 27.074 18.249 45.098 1.00 35.38 O HETATM 2197 O HOH 61 -2.830 30.787 42.684 1.00 35.43 O HETATM 2198 O HOH 62 -2.023 32.881 32.192 1.00 35.60 O HETATM 2199 O HOH 63 4.608 20.717 27.642 1.00 35.74 O HETATM 2200 O HOH 64 20.257 30.255 47.590 1.00 35.88 O HETATM 2201 O HOH 65 24.129 17.329 46.582 1.00 35.96 O HETATM 2202 O HOH 66 14.582 28.060 53.451 1.00 36.29 O HETATM 2203 O HOH 67 -11.660 15.267 43.115 1.00 36.37 O HETATM 2204 O HOH 68 6.484 6.559 43.343 1.00 36.55 O HETATM 2205 O HOH 69 7.446 23.586 60.079 1.00 36.67 O HETATM 2206 O HOH 70 4.616 30.879 50.729 1.00 37.02 O HETATM 2207 O HOH 71 -1.704 30.493 36.457 1.00 37.24 O HETATM 2208 O HOH 72 8.515 26.571 25.152 1.00 37.27 O HETATM 2209 O HOH 73 13.573 6.592 40.531 1.00 37.36 O HETATM 2210 O HOH 74 17.821 26.832 48.875 1.00 37.54 O HETATM 2211 O HOH 75 32.409 10.284 34.969 1.00 37.58 O HETATM 2212 O HOH 76 12.555 8.811 38.095 1.00 37.69 O HETATM 2213 O HOH 77 20.786 25.304 32.937 1.00 38.00 O HETATM 2214 O HOH 78 -13.184 18.722 39.917 1.00 38.74 O HETATM 2215 O HOH 79 13.414 31.437 42.055 1.00 38.80 O HETATM 2216 O HOH 80 20.430 30.278 45.321 1.00 39.04 O HETATM 2217 O HOH 81 -3.043 10.534 44.550 1.00 39.13 O HETATM 2218 O HOH 82 21.909 8.204 48.439 1.00 39.15 O HETATM 2219 O HOH 83 20.603 20.477 58.979 1.00 39.42 O HETATM 2220 O HOH 84 18.201 27.835 46.851 1.00 39.51 O HETATM 2221 O HOH 85 10.194 31.555 51.737 1.00 39.57 O HETATM 2222 O HOH 86 19.544 26.915 30.197 1.00 39.91 O HETATM 2223 O HOH 87 4.938 32.413 48.959 1.00 40.74 O HETATM 2224 O HOH 88 5.921 20.016 25.612 1.00 41.02 O HETATM 2225 O HOH 89 -3.252 9.540 36.704 1.00 41.54 O HETATM 2226 O HOH 90 -3.125 18.718 55.734 1.00 42.25 O HETATM 2227 O HOH 91 5.061 25.896 55.169 1.00 42.47 O HETATM 2228 O HOH 92 25.256 7.675 44.982 1.00 42.49 O HETATM 2229 O HOH 93 -1.223 31.205 40.932 1.00 42.55 O HETATM 2230 O HOH 94 15.438 26.110 29.808 1.00 42.57 O HETATM 2231 O HOH 95 -3.864 19.519 32.637 1.00 42.77 O HETATM 2232 O HOH 96 0.395 11.687 51.556 1.00 43.39 O HETATM 2233 O HOH 97 -2.175 17.189 33.491 1.00 43.53 O HETATM 2234 O HOH 98 -6.733 26.155 37.687 1.00 44.18 O HETATM 2235 O HOH 99 -3.495 12.008 47.215 1.00 44.19 O HETATM 2236 O HOH 100 32.735 13.503 41.518 1.00 44.34 O HETATM 2237 O HOH 101 -0.941 18.442 56.374 1.00 44.37 O HETATM 2238 O HOH 102 -5.125 12.300 40.457 1.00 45.25 O HETATM 2239 O HOH 103 21.932 28.973 48.988 1.00 45.26 O HETATM 2240 O HOH 104 23.705 13.221 46.223 1.00 46.48 O HETATM 2241 O HOH 105 -3.183 12.204 33.962 1.00 47.06 O HETATM 2242 O HOH 106 20.107 5.851 48.549 1.00 47.30 O HETATM 2243 O HOH 107 16.611 27.759 58.075 1.00 47.65 O HETATM 2244 O HOH 108 21.883 15.908 48.605 1.00 47.78 O HETATM 2245 O HOH 109 19.032 26.801 43.728 1.00 48.36 O HETATM 2246 O HOH 110 -13.677 19.728 43.086 1.00 48.52 O HETATM 2247 O HOH 111 10.964 34.342 50.842 1.00 48.66 O HETATM 2248 O HOH 112 9.373 17.191 27.372 1.00 48.81 O HETATM 2249 O HOH 113 13.919 7.005 57.297 1.00 50.06 O HETATM 2250 O HOH 114 2.037 8.705 59.843 1.00 51.96 O HETATM 2251 O HOH 115 -14.673 19.603 37.794 1.00 52.70 O HETATM 2252 O HOH 116 -15.187 17.862 41.883 1.00 53.89 O HETATM 2253 O HOH 117 10.444 30.343 54.602 1.00 54.16 O HETATM 2254 O HOH 118 -11.691 15.818 40.663 1.00 55.70 O HETATM 2255 O HOH 119 0.632 32.851 44.571 1.00 55.82 O HETATM 2256 O HOH 120 1.569 15.350 62.204 1.00 55.85 O HETATM 2257 O HOH 121 13.742 8.574 60.160 1.00 56.54 O HETATM 2258 O HOH 122 12.424 19.977 28.165 1.00 57.26 O HETATM 2259 O HOH 123 0.560 8.112 46.383 1.00 59.67 O HETATM 2260 O HOH 124 -4.248 16.638 34.769 1.00 59.81 O HETATM 2261 O HOH 125 -9.735 23.728 37.248 1.00 72.47 O HETATM 2262 O HOH 126 -11.132 21.627 40.838 1.00 73.84 O HETATM 2263 O HOH 127 -9.029 19.249 46.358 1.00 79.58 O HETATM 2264 O HOH 128 18.596 5.550 51.803 1.00 88.51 O HETATM 2265 O HOH 129 15.026 22.258 31.995 1.00 14.97 O HETATM 2266 O HOH 130 21.641 21.352 32.517 1.00 24.94 O HETATM 2267 O HOH 131 21.807 17.357 25.237 1.00 27.63 O HETATM 2268 O HOH 132 17.270 22.879 30.602 1.00 27.69 O HETATM 2269 O HOH 133 19.637 21.516 30.533 1.00 33.44 O HETATM 2270 O HOH 134 31.521 12.364 31.664 1.00 34.32 O HETATM 2271 O HOH 135 24.287 18.195 25.945 1.00 37.11 O HETATM 2272 O HOH 136 18.150 18.901 26.684 1.00 40.78 O HETATM 2273 O HOH 137 25.483 18.225 29.397 1.00 47.62 O HETATM 2274 O HOH 138 23.980 21.867 30.136 1.00 60.77 O HETATM 2275 O HOH 139 16.841 6.353 27.585 1.00 68.06 O HETATM 2276 O HOH 140 25.878 12.349 26.885 1.00 77.06 O CONECT 1 2 10 11 12 CONECT 10 1 CONECT 11 1 CONECT 12 1 CONECT 253 241 254 269 CONECT 254 253 255 257 268 CONECT 255 254 256 270 CONECT 256 255 CONECT 257 254 258 266 267 CONECT 258 257 259 264 265 CONECT 259 258 260 CONECT 260 259 261 262 263 CONECT 261 260 CONECT 262 260 CONECT 263 260 CONECT 264 258 CONECT 265 258 CONECT 266 257 CONECT 267 257 CONECT 268 254 CONECT 269 253 CONECT 927 915 928 943 CONECT 928 927 929 931 942 CONECT 929 928 930 944 CONECT 930 929 CONECT 931 928 932 940 941 CONECT 932 931 933 938 939 CONECT 933 932 934 CONECT 934 933 935 936 937 CONECT 935 934 CONECT 936 934 CONECT 937 934 CONECT 938 932 CONECT 939 932 CONECT 940 931 CONECT 941 931 CONECT 942 928 CONECT 943 927 CONECT 972 960 973 988 CONECT 973 972 974 976 987 CONECT 974 973 975 989 CONECT 975 974 CONECT 976 973 977 985 986 CONECT 977 976 978 983 984 CONECT 978 977 979 CONECT 979 978 980 981 982 CONECT 980 979 CONECT 981 979 CONECT 982 979 CONECT 983 977 CONECT 984 977 CONECT 985 976 CONECT 986 976 CONECT 987 973 CONECT 988 972 CONECT 1198 1190 1199 1214 CONECT 1199 1198 1200 1202 1213 CONECT 1200 1199 1201 1215 CONECT 1201 1200 CONECT 1202 1199 1203 1211 1212 CONECT 1203 1202 1204 1209 1210 CONECT 1204 1203 1205 CONECT 1205 1204 1206 1207 1208 CONECT 1206 1205 CONECT 1207 1205 CONECT 1208 1205 CONECT 1209 1203 CONECT 1210 1203 CONECT 1211 1202 CONECT 1212 1202 CONECT 1213 1199 CONECT 1214 1198 CONECT 1304 1287 1305 1320 CONECT 1305 1304 1306 1308 1319 CONECT 1306 1305 1307 1321 CONECT 1307 1306 CONECT 1308 1305 1309 1317 1318 CONECT 1309 1308 1310 1315 1316 CONECT 1310 1309 1311 CONECT 1311 1310 1312 1313 1314 CONECT 1312 1311 CONECT 1313 1311 CONECT 1314 1311 CONECT 1315 1309 CONECT 1316 1309 CONECT 1317 1308 CONECT 1318 1308 CONECT 1319 1305 CONECT 1320 1304 CONECT 1934 1935 2129 2130 2131 CONECT 1935 1934 1936 2123 2128 CONECT 1936 1935 1937 1938 CONECT 1937 1936 CONECT 1938 1936 1939 2122 CONECT 1939 1938 1940 2108 2121 CONECT 1940 1939 1941 1942 CONECT 1941 1940 CONECT 1942 1940 1943 2107 CONECT 1943 1942 1944 2093 2106 CONECT 1944 1943 1945 1946 CONECT 1945 1944 CONECT 1946 1944 1947 2092 CONECT 1947 1946 1948 2086 2091 CONECT 1948 1947 1949 1950 CONECT 1949 1948 CONECT 1950 1948 1951 2085 CONECT 1951 1950 1952 2073 2084 CONECT 1952 1951 1953 1954 CONECT 1953 1952 CONECT 1954 1952 1955 2072 CONECT 1955 1954 1956 2067 2071 CONECT 1956 1955 1957 1958 CONECT 1957 1956 CONECT 1958 1956 1959 2066 CONECT 1959 1958 1960 2056 2065 CONECT 1960 1959 1961 1962 CONECT 1961 1960 CONECT 1962 1960 1963 2055 CONECT 1963 1962 1964 2041 2054 CONECT 1964 1963 1965 1966 CONECT 1965 1964 CONECT 1966 1964 1967 2040 CONECT 1967 1966 1968 2033 2039 CONECT 1968 1967 1969 1970 CONECT 1969 1968 CONECT 1970 1968 1971 2032 CONECT 1971 1970 1972 2027 2031 CONECT 1972 1971 1973 1974 CONECT 1973 1972 CONECT 1974 1972 1975 2026 CONECT 1975 1974 1976 2012 2025 CONECT 1976 1975 1977 1978 CONECT 1977 1976 CONECT 1978 1976 1979 2011 CONECT 1979 1978 1980 1997 2010 CONECT 1980 1979 1981 1982 CONECT 1981 1980 CONECT 1982 1980 1983 1996 CONECT 1983 1982 1984 1987 1995 CONECT 1984 1983 1985 1986 CONECT 1985 1984 CONECT 1986 1984 CONECT 1987 1983 1988 1993 1994 CONECT 1988 1987 1989 1990 CONECT 1989 1988 CONECT 1990 1988 1991 1992 CONECT 1991 1990 CONECT 1992 1990 CONECT 1993 1987 CONECT 1994 1987 CONECT 1995 1983 CONECT 1996 1982 CONECT 1997 1979 1998 2008 2009 CONECT 1998 1997 1999 2003 2007 CONECT 1999 1998 2000 2001 2002 CONECT 2000 1999 CONECT 2001 1999 CONECT 2002 1999 CONECT 2003 1998 2004 2005 2006 CONECT 2004 2003 CONECT 2005 2003 CONECT 2006 2003 CONECT 2007 1998 CONECT 2008 1997 CONECT 2009 1997 CONECT 2010 1979 CONECT 2011 1978 CONECT 2012 1975 2013 2023 2024 CONECT 2013 2012 2014 2018 2022 CONECT 2014 2013 2015 2016 2017 CONECT 2015 2014 CONECT 2016 2014 CONECT 2017 2014 CONECT 2018 2013 2019 2020 2021 CONECT 2019 2018 CONECT 2020 2018 CONECT 2021 2018 CONECT 2022 2013 CONECT 2023 2012 CONECT 2024 2012 CONECT 2025 1975 CONECT 2026 1974 CONECT 2027 1971 2028 2029 2030 CONECT 2028 2027 CONECT 2029 2027 CONECT 2030 2027 CONECT 2031 1971 CONECT 2032 1970 CONECT 2033 1967 2034 2037 2038 CONECT 2034 2033 2035 2036 CONECT 2035 2034 CONECT 2036 2034 CONECT 2037 2033 CONECT 2038 2033 CONECT 2039 1967 CONECT 2040 1966 CONECT 2041 1963 2042 2049 2053 CONECT 2042 2041 2043 2047 2048 CONECT 2043 2042 2044 2045 2046 CONECT 2044 2043 CONECT 2045 2043 CONECT 2046 2043 CONECT 2047 2042 CONECT 2048 2042 CONECT 2049 2041 2050 2051 2052 CONECT 2050 2049 CONECT 2051 2049 CONECT 2052 2049 CONECT 2053 2041 CONECT 2054 1963 CONECT 2055 1962 CONECT 2056 1959 2057 2063 2064 CONECT 2057 2056 2058 2061 2062 CONECT 2058 2057 2059 2060 CONECT 2059 2058 CONECT 2060 2058 CONECT 2061 2057 CONECT 2062 2057 CONECT 2063 2056 CONECT 2064 2056 CONECT 2065 1959 CONECT 2066 1958 CONECT 2067 1955 2068 2069 2070 CONECT 2068 2067 CONECT 2069 2067 CONECT 2070 2067 CONECT 2071 1955 CONECT 2072 1954 CONECT 2073 1951 2074 2082 2083 CONECT 2074 2073 2075 2080 2081 CONECT 2075 2074 2076 2077 CONECT 2076 2075 CONECT 2077 2075 2078 2079 CONECT 2078 2077 CONECT 2079 2077 CONECT 2080 2074 CONECT 2081 2074 CONECT 2082 2073 CONECT 2083 2073 CONECT 2084 1951 CONECT 2085 1950 CONECT 2086 1947 2087 2089 2090 CONECT 2087 2086 2088 CONECT 2088 2087 CONECT 2089 2086 CONECT 2090 2086 CONECT 2091 1947 CONECT 2092 1946 CONECT 2093 1943 2094 2104 2105 CONECT 2094 2093 2095 2099 2103 CONECT 2095 2094 2096 2097 2098 CONECT 2096 2095 CONECT 2097 2095 CONECT 2098 2095 CONECT 2099 2094 2100 2101 2102 CONECT 2100 2099 CONECT 2101 2099 CONECT 2102 2099 CONECT 2103 2094 CONECT 2104 2093 CONECT 2105 2093 CONECT 2106 1943 CONECT 2107 1942 CONECT 2108 1939 2109 2116 2120 CONECT 2109 2108 2110 2114 2115 CONECT 2110 2109 2111 2112 2113 CONECT 2111 2110 CONECT 2112 2110 CONECT 2113 2110 CONECT 2114 2109 CONECT 2115 2109 CONECT 2116 2108 2117 2118 2119 CONECT 2117 2116 CONECT 2118 2116 CONECT 2119 2116 CONECT 2120 2108 CONECT 2121 1939 CONECT 2122 1938 CONECT 2123 1935 2124 2126 2127 CONECT 2124 2123 2125 CONECT 2125 2124 CONECT 2126 2123 CONECT 2127 2123 CONECT 2128 1935 CONECT 2129 1934 CONECT 2130 1934 CONECT 2131 1934 CONECT 2132 2133 CONECT 2133 2132 2134 2135 2136 CONECT 2134 2133 CONECT 2135 2133 CONECT 2136 2133 MASTER 0 0 0 0 0 0 0 0 2275 1 292 10 END
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Entry Information
PDB ID
1u8t
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
double mutant Chemotaxis protein cheYD13K Y106W
Ligand Name
16-mer
EC.Number
E.C.-.-.-.-
Resolution
1.5(Å)
Affinity (Kd/Ki/IC50)
Kd=55uM
Release Year
2004
Protein/NA Sequence
Check fasta file
Primary Reference
(2004) J.Mol.Biol. Vol. 342: pp. 1325-1335
Ligand Properties
Formula
C
6
0
H
1
0
4
N
1
5
O
2
2
Molecular Weight
1387.560
Exact Mass
1386.750
No. of atoms
201
No. of bonds
200
Polar Surface Area
615.38
LOGP Value
-1.83 (
Computed with XLOGP3
)
-0.67 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 17
No. of Hydrogen Bond Acceptors: 22
No. of Rotatable Bonds: 58
No. of Nitrogen and Oxygen Atoms: 37
No. of Rings: 0
Canonical SMILES
CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(=O)N)CC(C)C)CC(C)C)C)CC(=O)O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](CO)[NH3+])CC(C)C)CO)CCC(=O)N)C)CCC(=O)O)C
InChI String
InChI=1S/C60H103N15O22/c1-13-29(9)46(74-50(86)33(61)24-76)58(94)70-38(21-28(7)8)56(92)73-41(25-77)57(93)67-34(15-17-42(62)78)51(87)64-31(11)48(84)66-35(16-18-44(80)81)52(88)75-47(30(10)14-2)59(95)71-39(23-45(82)83)53(89)65-32(12)49(85)68-36(19-26(3)4)54(90)69-37(20-27(5)6)55(91)72-40(60(96)97)22-43(63)79/h26-41,46-47,76-77H,13-25,61H2,1-12H3,(H2,62,78)(H2,63,79)(H,64,87)(H,65,89)(H,66,84)(H,67,93)(H,68,85)(H,69,90)(H,70,94)(H,71,95)(H,72,91)(H,73,92)(H,74,86)(H,75,88)(H,80,81)(H,82,83)(H,96,97)/p+1/t29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,46-,47-/m0/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
P06974
P0AE67
Entrez Gene ID
NCBI Entrez Gene ID:
946442
61755423
946393
ASD
Information of known allosteric effects of PDB entries
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