Browse entries in the PDBbind-CN Database
HEADER 1I3Z_COMPLEX COMPND 1I3Z_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 103 MET ASP LEU PRO TYR TYR HIS GLY CYS LEU THR LYS ARG SEQRES 2 A 103 GLU CYS GLU ALA LEU LEU LEU LYS GLY GLY VAL ASP GLY SEQRES 3 A 103 ASN PHE LEU ILE ARG ASP SER GLU SER VAL PRO GLY ALA SEQRES 4 A 103 LEU CYS LEU CYS VAL SER PHE LYS LYS LEU VAL TYR SER SEQRES 5 A 103 TYR ARG ILE PHE ARG GLU LYS HIS GLY TYR TYR ARG ILE SEQRES 6 A 103 GLU THR ASP ALA HIS THR PRO ARG THR ILE PHE PRO ASN SEQRES 7 A 103 LEU GLN GLU LEU VAL SER LYS TYR GLY LYS PRO GLY GLN SEQRES 8 A 103 GLY LEU VAL VAL HIS LEU SER ASN PRO ILE MET ARG HET SER A 190 173 ATOM 1 N MET A 1 8.619 6.296 -2.384 1.00 38.57 N ATOM 2 CA MET A 1 10.110 6.066 -2.541 1.00 38.81 C ATOM 3 C MET A 1 10.727 4.865 -1.832 1.00 38.48 C ATOM 4 O MET A 1 10.197 4.356 -0.828 1.00 37.70 O ATOM 5 CB MET A 1 10.960 7.347 -2.336 1.00 40.09 C ATOM 6 CG MET A 1 11.123 8.245 -3.591 1.00 41.45 C ATOM 7 SD MET A 1 10.864 9.986 -3.120 1.00 47.64 S ATOM 8 CE MET A 1 9.880 10.580 -4.589 1.00 46.58 C ATOM 9 HA MET A 1 10.156 5.781 -3.592 1.00 0.00 H ATOM 10 HB2 MET A 1 10.488 7.943 -1.555 1.00 0.00 H ATOM 11 HB3 MET A 1 11.954 7.043 -2.008 1.00 0.00 H ATOM 12 HG2 MET A 1 10.389 7.957 -4.343 1.00 0.00 H ATOM 13 HG3 MET A 1 12.126 8.123 -3.999 1.00 0.00 H ATOM 14 HE1 MET A 1 10.470 10.450 -5.496 1.00 0.00 H ATOM 15 HE2 MET A 1 8.960 10.001 -4.666 1.00 0.00 H ATOM 16 HE3 MET A 1 9.637 11.635 -4.460 1.00 0.00 H ATOM 17 HN3 MET A 1 8.394 6.430 -1.377 1.00 0.00 H ATOM 18 HN2 MET A 1 8.102 5.471 -2.749 1.00 0.00 H ATOM 19 HN1 MET A 1 8.342 7.144 -2.919 1.00 0.00 H ATOM 20 N ASP A 2 11.967 4.677 -2.311 1.00 38.70 N ATOM 21 CA ASP A 2 12.744 3.490 -2.600 1.00 37.27 C ATOM 22 C ASP A 2 14.183 3.442 -2.090 1.00 36.89 C ATOM 23 O ASP A 2 14.692 2.365 -1.907 1.00 36.55 O ATOM 24 CB ASP A 2 12.983 3.695 -4.107 1.00 38.81 C ATOM 25 CG ASP A 2 12.639 2.530 -4.989 1.00 39.54 C ATOM 26 OD1 ASP A 2 11.709 2.734 -5.786 1.00 42.31 O ATOM 27 OD2 ASP A 2 13.292 1.454 -5.103 1.00 42.25 O ATOM 28 HA ASP A 2 12.220 2.629 -2.184 1.00 0.00 H ATOM 29 HB2 ASP A 2 12.383 4.546 -4.428 1.00 0.00 H ATOM 30 HB3 ASP A 2 14.039 3.922 -4.250 1.00 0.00 H ATOM 31 H ASP A 2 12.471 5.563 -2.516 1.00 0.00 H ATOM 32 N LEU A 3 14.880 4.579 -1.942 1.00 36.47 N ATOM 33 CA LEU A 3 16.318 4.553 -1.559 1.00 35.65 C ATOM 34 C LEU A 3 16.589 4.193 -0.099 1.00 35.03 C ATOM 35 O LEU A 3 15.805 4.564 0.759 1.00 34.17 O ATOM 36 CB LEU A 3 17.021 5.872 -1.886 1.00 36.17 C ATOM 37 CG LEU A 3 16.558 6.746 -3.050 1.00 39.16 C ATOM 38 CD1 LEU A 3 15.126 7.345 -2.789 1.00 41.53 C ATOM 39 CD2 LEU A 3 17.574 7.882 -3.248 1.00 40.57 C ATOM 40 HA LEU A 3 16.730 3.747 -2.166 1.00 0.00 H ATOM 41 HB2 LEU A 3 16.954 6.489 -0.990 1.00 0.00 H ATOM 42 HB3 LEU A 3 18.065 5.627 -2.079 1.00 0.00 H ATOM 43 HG LEU A 3 16.497 6.131 -3.948 1.00 0.00 H ATOM 44 HD21 LEU A 3 17.633 8.478 -2.337 1.00 0.00 H ATOM 45 HD22 LEU A 3 18.553 7.457 -3.470 1.00 0.00 H ATOM 46 HD23 LEU A 3 17.254 8.513 -4.077 1.00 0.00 H ATOM 47 HD11 LEU A 3 14.411 6.532 -2.662 1.00 0.00 H ATOM 48 HD12 LEU A 3 15.148 7.956 -1.886 1.00 0.00 H ATOM 49 HD13 LEU A 3 14.831 7.961 -3.639 1.00 0.00 H ATOM 50 H LEU A 3 14.408 5.493 -2.097 1.00 0.00 H ATOM 51 N PRO A 4 17.706 3.492 0.188 1.00 35.05 N ATOM 52 CA PRO A 4 17.999 3.006 1.549 1.00 34.26 C ATOM 53 C PRO A 4 18.076 4.042 2.673 1.00 33.79 C ATOM 54 O PRO A 4 17.780 3.755 3.846 1.00 32.40 O ATOM 55 CB PRO A 4 19.409 2.394 1.394 1.00 34.45 C ATOM 56 CG PRO A 4 19.530 2.058 -0.033 1.00 34.53 C ATOM 57 CD PRO A 4 18.715 3.044 -0.795 1.00 35.27 C ATOM 58 HA PRO A 4 17.182 2.354 1.858 1.00 0.00 H ATOM 59 HD3 PRO A 4 19.329 3.879 -1.132 1.00 0.00 H ATOM 60 HD2 PRO A 4 18.239 2.574 -1.656 1.00 0.00 H ATOM 61 HG3 PRO A 4 19.157 1.049 -0.211 1.00 0.00 H ATOM 62 HG2 PRO A 4 20.573 2.118 -0.343 1.00 0.00 H ATOM 63 HB2 PRO A 4 20.173 3.116 1.683 1.00 0.00 H ATOM 64 HB3 PRO A 4 19.507 1.498 2.007 1.00 0.00 H ATOM 65 N TYR A 5 18.559 5.234 2.342 1.00 32.95 N ATOM 66 CA TYR A 5 18.747 6.240 3.377 1.00 33.30 C ATOM 67 C TYR A 5 17.536 7.198 3.478 1.00 32.68 C ATOM 68 O TYR A 5 17.534 8.101 4.325 1.00 31.49 O ATOM 69 CB TYR A 5 20.102 6.981 3.201 1.00 33.62 C ATOM 70 CG TYR A 5 20.342 7.298 1.753 1.00 35.47 C ATOM 71 CD1 TYR A 5 19.657 8.343 1.142 1.00 34.34 C ATOM 72 CD2 TYR A 5 21.147 6.492 0.969 1.00 36.59 C ATOM 73 CE1 TYR A 5 19.818 8.615 -0.193 1.00 32.53 C ATOM 74 CE2 TYR A 5 21.326 6.758 -0.370 1.00 37.81 C ATOM 75 CZ TYR A 5 20.660 7.826 -0.946 1.00 35.84 C ATOM 76 OH TYR A 5 20.835 8.098 -2.290 1.00 36.46 O ATOM 77 HA TYR A 5 18.798 5.728 4.338 1.00 0.00 H ATOM 78 HB3 TYR A 5 20.909 6.347 3.568 1.00 0.00 H ATOM 79 HB2 TYR A 5 20.081 7.908 3.773 1.00 0.00 H ATOM 80 HD2 TYR A 5 21.647 5.634 1.418 1.00 0.00 H ATOM 81 HE2 TYR A 5 21.986 6.133 -0.971 1.00 0.00 H ATOM 82 HE1 TYR A 5 19.285 9.447 -0.653 1.00 0.00 H ATOM 83 HD1 TYR A 5 18.980 8.957 1.735 1.00 0.00 H ATOM 84 HH TYR A 5 20.292 8.887 -2.539 1.00 0.00 H ATOM 85 H TYR A 5 18.801 5.447 1.353 1.00 0.00 H ATOM 86 N TYR A 6 16.515 6.989 2.627 1.00 32.58 N ATOM 87 CA TYR A 6 15.221 7.735 2.738 1.00 31.80 C ATOM 88 C TYR A 6 14.395 7.182 3.910 1.00 32.24 C ATOM 89 O TYR A 6 13.959 6.038 3.840 1.00 31.00 O ATOM 90 CB TYR A 6 14.414 7.590 1.427 1.00 31.34 C ATOM 91 CG TYR A 6 13.068 8.310 1.358 1.00 27.79 C ATOM 92 CD1 TYR A 6 12.819 9.425 2.133 1.00 27.83 C ATOM 93 CD2 TYR A 6 12.067 7.882 0.486 1.00 25.09 C ATOM 94 CE1 TYR A 6 11.599 10.098 2.061 1.00 25.79 C ATOM 95 CE2 TYR A 6 10.831 8.535 0.422 1.00 23.84 C ATOM 96 CZ TYR A 6 10.623 9.645 1.207 1.00 23.98 C ATOM 97 OH TYR A 6 9.421 10.303 1.144 1.00 27.53 O ATOM 98 HA TYR A 6 15.437 8.789 2.914 1.00 0.00 H ATOM 99 HB3 TYR A 6 14.227 6.527 1.271 1.00 0.00 H ATOM 100 HB2 TYR A 6 15.033 7.972 0.615 1.00 0.00 H ATOM 101 HD2 TYR A 6 12.251 7.022 -0.158 1.00 0.00 H ATOM 102 HE2 TYR A 6 10.045 8.170 -0.240 1.00 0.00 H ATOM 103 HE1 TYR A 6 11.421 10.978 2.679 1.00 0.00 H ATOM 104 HD1 TYR A 6 13.590 9.786 2.814 1.00 0.00 H ATOM 105 HH TYR A 6 9.435 11.073 1.766 1.00 0.00 H ATOM 106 H TYR A 6 16.628 6.287 1.868 1.00 0.00 H ATOM 107 N HIS A 7 14.212 7.946 4.995 1.00 32.94 N ATOM 108 CA HIS A 7 13.309 7.502 6.062 1.00 35.21 C ATOM 109 C HIS A 7 12.012 8.276 5.919 1.00 36.76 C ATOM 110 O HIS A 7 12.036 9.500 5.830 1.00 38.61 O ATOM 111 CB HIS A 7 13.854 7.780 7.473 1.00 34.64 C ATOM 112 CG HIS A 7 15.148 7.097 7.777 1.00 35.91 C ATOM 113 ND1 HIS A 7 16.256 7.203 6.961 1.00 35.45 N ATOM 114 CD2 HIS A 7 15.524 6.332 8.827 1.00 35.77 C ATOM 115 CE1 HIS A 7 17.246 6.496 7.479 1.00 36.75 C ATOM 116 NE2 HIS A 7 16.832 5.970 8.618 1.00 36.80 N ATOM 117 HA HIS A 7 13.184 6.424 5.958 1.00 0.00 H ATOM 118 HB2 HIS A 7 14.002 8.855 7.577 1.00 0.00 H ATOM 119 HB3 HIS A 7 13.112 7.445 8.198 1.00 0.00 H ATOM 120 HD2 HIS A 7 14.904 6.055 9.680 1.00 0.00 H ATOM 121 HE1 HIS A 7 18.236 6.369 7.041 1.00 0.00 H ATOM 122 H HIS A 7 14.711 8.855 5.081 1.00 0.00 H ATOM 123 N GLY A 8 10.882 7.601 5.910 1.00 37.95 N ATOM 124 CA GLY A 8 9.606 8.287 5.724 1.00 40.34 C ATOM 125 C GLY A 8 8.857 8.416 7.043 1.00 42.21 C ATOM 126 O GLY A 8 8.248 9.440 7.306 1.00 42.91 O ATOM 127 HA3 GLY A 8 8.995 7.720 5.021 1.00 0.00 H ATOM 128 HA2 GLY A 8 9.792 9.282 5.321 1.00 0.00 H ATOM 129 H GLY A 8 10.898 6.569 6.037 1.00 0.00 H ATOM 130 N CYS A 9 8.902 7.355 7.850 1.00 43.93 N ATOM 131 CA CYS A 9 8.435 7.359 9.233 1.00 45.52 C ATOM 132 C CYS A 9 9.538 8.006 10.075 1.00 45.12 C ATOM 133 O CYS A 9 10.413 7.281 10.589 1.00 45.94 O ATOM 134 CB CYS A 9 8.263 5.907 9.716 1.00 45.95 C ATOM 135 SG CYS A 9 8.417 5.601 11.528 1.00 50.65 S ATOM 136 HA CYS A 9 7.488 7.892 9.318 1.00 0.00 H ATOM 137 HB2 CYS A 9 9.019 5.302 9.215 1.00 0.00 H ATOM 138 HB3 CYS A 9 7.271 5.574 9.410 1.00 0.00 H ATOM 139 HG CYS A 9 9.672 5.987 11.953 1.00 0.00 H ATOM 140 H CYS A 9 9.294 6.470 7.470 1.00 0.00 H ATOM 141 N LEU A 10 9.527 9.323 10.260 1.00 43.58 N ATOM 142 CA LEU A 10 10.664 9.904 10.982 1.00 42.84 C ATOM 143 C LEU A 10 10.564 11.349 11.444 1.00 41.62 C ATOM 144 O LEU A 10 10.731 12.261 10.649 1.00 41.14 O ATOM 145 CB LEU A 10 11.931 9.796 10.119 1.00 42.55 C ATOM 146 CG LEU A 10 13.167 9.793 11.013 1.00 42.82 C ATOM 147 CD1 LEU A 10 13.029 8.627 12.007 1.00 43.18 C ATOM 148 CD2 LEU A 10 14.420 9.687 10.190 1.00 39.19 C ATOM 149 HA LEU A 10 10.684 9.313 11.898 1.00 0.00 H ATOM 150 HB2 LEU A 10 11.899 8.871 9.543 1.00 0.00 H ATOM 151 HB3 LEU A 10 11.979 10.646 9.438 1.00 0.00 H ATOM 152 HG LEU A 10 13.242 10.730 11.566 1.00 0.00 H ATOM 153 HD21 LEU A 10 14.399 8.761 9.616 1.00 0.00 H ATOM 154 HD22 LEU A 10 14.479 10.537 9.510 1.00 0.00 H ATOM 155 HD23 LEU A 10 15.288 9.687 10.850 1.00 0.00 H ATOM 156 HD11 LEU A 10 12.129 8.767 12.606 1.00 0.00 H ATOM 157 HD12 LEU A 10 12.958 7.689 11.457 1.00 0.00 H ATOM 158 HD13 LEU A 10 13.902 8.602 12.659 1.00 0.00 H ATOM 159 H LEU A 10 8.747 9.914 9.908 1.00 0.00 H ATOM 160 N THR A 11 10.346 11.551 12.734 1.00 39.89 N ATOM 161 CA THR A 11 10.295 12.896 13.269 1.00 38.61 C ATOM 162 C THR A 11 11.680 13.560 13.327 1.00 38.49 C ATOM 163 O THR A 11 12.722 12.907 13.392 1.00 37.49 O ATOM 164 CB THR A 11 9.648 12.927 14.687 1.00 38.70 C ATOM 165 OG1 THR A 11 10.591 12.469 15.662 1.00 37.65 O ATOM 166 CG2 THR A 11 8.480 11.930 14.804 1.00 37.10 C ATOM 167 HA THR A 11 9.672 13.465 12.579 1.00 0.00 H ATOM 168 HB THR A 11 9.320 13.954 14.846 1.00 0.00 H ATOM 169 HG1 THR A 11 10.173 12.491 16.559 1.00 0.00 H ATOM 170 HG23 THR A 11 7.701 12.200 14.091 1.00 0.00 H ATOM 171 HG21 THR A 11 8.840 10.924 14.588 1.00 0.00 H ATOM 172 HG22 THR A 11 8.075 11.963 15.816 1.00 0.00 H ATOM 173 H THR A 11 10.210 10.738 13.368 1.00 0.00 H ATOM 174 N LYS A 12 11.638 14.883 13.298 1.00 39.17 N ATOM 175 CA LYS A 12 12.785 15.749 13.408 1.00 40.46 C ATOM 176 C LYS A 12 13.638 15.315 14.607 1.00 39.88 C ATOM 177 O LYS A 12 14.833 15.030 14.480 1.00 39.76 O ATOM 178 CB LYS A 12 12.261 17.173 13.596 1.00 39.89 C ATOM 179 CG LYS A 12 13.225 18.264 13.191 1.00 44.51 C ATOM 180 CD LYS A 12 12.635 19.645 13.441 1.00 48.28 C ATOM 181 CE LYS A 12 12.483 19.889 14.937 1.00 53.40 C ATOM 182 NZ LYS A 12 11.090 20.395 15.271 1.00 56.22 N ATOM 183 HA LYS A 12 13.411 15.698 12.517 1.00 0.00 H ATOM 184 HB2 LYS A 12 11.355 17.282 13.000 1.00 0.00 H ATOM 185 HB3 LYS A 12 12.019 17.309 14.650 1.00 0.00 H ATOM 186 HG2 LYS A 12 14.143 18.160 13.769 1.00 0.00 H ATOM 187 HG3 LYS A 12 13.452 18.161 12.130 1.00 0.00 H ATOM 188 HD2 LYS A 12 13.296 20.401 13.018 1.00 0.00 H ATOM 189 HD3 LYS A 12 11.657 19.711 12.964 1.00 0.00 H ATOM 190 HE2 LYS A 12 13.217 20.631 15.253 1.00 0.00 H ATOM 191 HE3 LYS A 12 12.660 18.955 15.470 1.00 0.00 H ATOM 192 HZ1 LYS A 12 10.918 21.289 14.769 1.00 0.00 H ATOM 193 HZ2 LYS A 12 10.386 19.689 14.976 1.00 0.00 H ATOM 194 HZ3 LYS A 12 11.016 20.552 16.296 1.00 0.00 H ATOM 195 H LYS A 12 10.706 15.332 13.187 1.00 0.00 H ATOM 196 N ARG A 13 13.009 15.239 15.774 1.00 40.78 N ATOM 197 CA ARG A 13 13.716 14.800 16.962 1.00 41.03 C ATOM 198 C ARG A 13 14.235 13.400 16.745 1.00 40.39 C ATOM 199 O ARG A 13 15.392 13.130 17.043 1.00 39.95 O ATOM 200 CB ARG A 13 12.816 14.836 18.202 1.00 40.90 C ATOM 201 CG ARG A 13 13.579 14.675 19.520 1.00 40.93 C ATOM 202 CD ARG A 13 12.703 14.535 20.751 1.00 42.90 C ATOM 203 NE ARG A 13 11.725 13.467 20.571 1.00 46.56 N ATOM 204 CZ ARG A 13 11.852 12.221 21.022 1.00 47.05 C ATOM 205 NH1 ARG A 13 12.912 11.859 21.728 1.00 48.06 N ATOM 206 NH2 ARG A 13 10.896 11.336 20.776 1.00 48.98 N ATOM 207 HA ARG A 13 14.547 15.484 17.137 1.00 0.00 H ATOM 208 HB2 ARG A 13 12.293 15.792 18.221 1.00 0.00 H ATOM 209 HB3 ARG A 13 12.089 14.028 18.124 1.00 0.00 H ATOM 210 HG2 ARG A 13 14.202 13.784 19.444 1.00 0.00 H ATOM 211 HG3 ARG A 13 14.214 15.551 19.653 1.00 0.00 H ATOM 212 HD2 ARG A 13 12.179 15.475 20.926 1.00 0.00 H ATOM 213 HD3 ARG A 13 13.330 14.305 21.612 1.00 0.00 H ATOM 214 HE ARG A 13 10.857 13.698 20.047 1.00 0.00 H ATOM 215 HH12 ARG A 13 12.998 10.882 22.074 1.00 0.00 H ATOM 216 HH11 ARG A 13 13.659 12.552 21.937 1.00 0.00 H ATOM 217 HH22 ARG A 13 10.988 10.361 21.125 1.00 0.00 H ATOM 218 HH21 ARG A 13 10.054 11.617 20.234 1.00 0.00 H ATOM 219 H ARG A 13 12.003 15.496 15.837 1.00 0.00 H ATOM 220 N GLU A 14 13.417 12.503 16.210 1.00 41.19 N ATOM 221 CA GLU A 14 13.920 11.157 15.979 1.00 41.25 C ATOM 222 C GLU A 14 15.129 11.191 15.064 1.00 40.70 C ATOM 223 O GLU A 14 16.100 10.499 15.331 1.00 41.03 O ATOM 224 CB GLU A 14 12.840 10.225 15.413 1.00 42.37 C ATOM 225 CG GLU A 14 11.654 9.986 16.359 1.00 44.69 C ATOM 226 CD GLU A 14 10.506 9.198 15.751 1.00 47.93 C ATOM 227 OE1 GLU A 14 10.681 8.561 14.686 1.00 50.56 O ATOM 228 OE2 GLU A 14 9.429 9.212 16.365 1.00 48.16 O ATOM 229 HA GLU A 14 14.220 10.753 16.946 1.00 0.00 H ATOM 230 HB2 GLU A 14 12.459 10.664 14.491 1.00 0.00 H ATOM 231 HB3 GLU A 14 13.301 9.262 15.192 1.00 0.00 H ATOM 232 HG2 GLU A 14 12.018 9.440 17.229 1.00 0.00 H ATOM 233 HG3 GLU A 14 11.271 10.956 16.675 1.00 0.00 H ATOM 234 H GLU A 14 12.439 12.756 15.961 1.00 0.00 H ATOM 235 N CYS A 15 15.098 12.014 14.008 1.00 40.03 N ATOM 236 CA CYS A 15 16.217 12.035 13.049 1.00 39.02 C ATOM 237 C CYS A 15 17.442 12.660 13.704 1.00 38.69 C ATOM 238 O CYS A 15 18.540 12.290 13.395 1.00 37.72 O ATOM 239 CB CYS A 15 15.842 12.775 11.741 1.00 39.33 C ATOM 240 SG CYS A 15 17.191 13.485 10.683 1.00 38.12 S ATOM 241 HA CYS A 15 16.449 11.007 12.771 1.00 0.00 H ATOM 242 HB2 CYS A 15 15.187 13.601 12.019 1.00 0.00 H ATOM 243 HB3 CYS A 15 15.290 12.068 11.122 1.00 0.00 H ATOM 244 HG CYS A 15 16.634 14.094 9.577 1.00 0.00 H ATOM 245 H CYS A 15 14.281 12.641 13.864 1.00 0.00 H ATOM 246 N GLU A 16 17.216 13.618 14.598 1.00 39.26 N ATOM 247 CA GLU A 16 18.293 14.308 15.305 1.00 40.76 C ATOM 248 C GLU A 16 18.842 13.325 16.289 1.00 41.00 C ATOM 249 O GLU A 16 20.003 13.357 16.598 1.00 41.81 O ATOM 250 CB GLU A 16 17.739 15.483 16.116 1.00 40.37 C ATOM 251 CG GLU A 16 17.293 16.702 15.335 1.00 41.91 C ATOM 252 CD GLU A 16 16.349 17.570 16.148 1.00 43.23 C ATOM 253 OE1 GLU A 16 16.110 18.737 15.775 1.00 45.69 O ATOM 254 OE2 GLU A 16 15.784 17.073 17.154 1.00 45.57 O ATOM 255 HA GLU A 16 19.033 14.674 14.593 1.00 0.00 H ATOM 256 HB2 GLU A 16 16.880 15.119 16.679 1.00 0.00 H ATOM 257 HB3 GLU A 16 18.517 15.802 16.809 1.00 0.00 H ATOM 258 HG2 GLU A 16 18.170 17.290 15.064 1.00 0.00 H ATOM 259 HG3 GLU A 16 16.782 16.375 14.429 1.00 0.00 H ATOM 260 H GLU A 16 16.233 13.887 14.803 1.00 0.00 H ATOM 261 N ALA A 17 17.990 12.474 16.836 1.00 42.07 N ATOM 262 CA ALA A 17 18.499 11.476 17.758 1.00 42.55 C ATOM 263 C ALA A 17 19.384 10.489 16.997 1.00 42.24 C ATOM 264 O ALA A 17 20.372 10.030 17.521 1.00 43.54 O ATOM 265 CB ALA A 17 17.336 10.759 18.445 1.00 41.74 C ATOM 266 HA ALA A 17 19.100 11.957 18.530 1.00 0.00 H ATOM 267 HB1 ALA A 17 16.737 11.485 18.995 1.00 0.00 H ATOM 268 HB2 ALA A 17 16.716 10.271 17.693 1.00 0.00 H ATOM 269 HB3 ALA A 17 17.728 10.012 19.135 1.00 0.00 H ATOM 270 H ALA A 17 16.976 12.519 16.610 1.00 0.00 H ATOM 271 N LEU A 18 19.026 10.170 15.755 1.00 42.29 N ATOM 272 CA LEU A 18 19.803 9.210 14.966 1.00 42.71 C ATOM 273 C LEU A 18 21.011 9.833 14.259 1.00 43.68 C ATOM 274 O LEU A 18 21.851 9.109 13.716 1.00 44.55 O ATOM 275 CB LEU A 18 18.955 8.590 13.863 1.00 42.17 C ATOM 276 CG LEU A 18 17.601 7.873 13.950 1.00 42.37 C ATOM 277 CD1 LEU A 18 17.265 7.385 12.547 1.00 41.06 C ATOM 278 CD2 LEU A 18 17.604 6.656 14.920 1.00 43.11 C ATOM 279 HA LEU A 18 20.139 8.473 15.695 1.00 0.00 H ATOM 280 HB2 LEU A 18 18.778 9.411 13.168 1.00 0.00 H ATOM 281 HB3 LEU A 18 19.615 7.858 13.398 1.00 0.00 H ATOM 282 HG LEU A 18 16.866 8.576 14.343 1.00 0.00 H ATOM 283 HD21 LEU A 18 18.339 5.926 14.582 1.00 0.00 H ATOM 284 HD22 LEU A 18 17.860 6.994 15.924 1.00 0.00 H ATOM 285 HD23 LEU A 18 16.615 6.199 14.930 1.00 0.00 H ATOM 286 HD11 LEU A 18 17.207 8.238 11.871 1.00 0.00 H ATOM 287 HD12 LEU A 18 18.042 6.701 12.206 1.00 0.00 H ATOM 288 HD13 LEU A 18 16.306 6.867 12.564 1.00 0.00 H ATOM 289 H LEU A 18 18.181 10.609 15.338 1.00 0.00 H ATOM 290 N LEU A 19 21.082 11.157 14.196 1.00 43.77 N ATOM 291 CA LEU A 19 22.162 11.766 13.450 1.00 45.13 C ATOM 292 C LEU A 19 23.257 12.189 14.396 1.00 46.62 C ATOM 293 O LEU A 19 24.433 12.005 14.117 1.00 46.67 O ATOM 294 CB LEU A 19 21.670 12.947 12.559 1.00 44.10 C ATOM 295 CG LEU A 19 21.012 12.442 11.256 1.00 42.61 C ATOM 296 CD1 LEU A 19 20.820 13.464 10.167 1.00 38.69 C ATOM 297 CD2 LEU A 19 21.772 11.273 10.709 1.00 38.59 C ATOM 298 HA LEU A 19 22.566 11.023 12.762 1.00 0.00 H ATOM 299 HB2 LEU A 19 20.941 13.533 13.119 1.00 0.00 H ATOM 300 HB3 LEU A 19 22.522 13.577 12.304 1.00 0.00 H ATOM 301 HG LEU A 19 20.004 12.160 11.562 1.00 0.00 H ATOM 302 HD21 LEU A 19 22.797 11.575 10.497 1.00 0.00 H ATOM 303 HD22 LEU A 19 21.774 10.467 11.443 1.00 0.00 H ATOM 304 HD23 LEU A 19 21.296 10.929 9.791 1.00 0.00 H ATOM 305 HD11 LEU A 19 20.182 14.268 10.534 1.00 0.00 H ATOM 306 HD12 LEU A 19 21.789 13.870 9.877 1.00 0.00 H ATOM 307 HD13 LEU A 19 20.350 12.991 9.305 1.00 0.00 H ATOM 308 H LEU A 19 20.373 11.747 14.675 1.00 0.00 H ATOM 309 N LEU A 20 22.848 12.730 15.535 1.00 48.55 N ATOM 310 CA LEU A 20 23.790 13.228 16.524 1.00 50.55 C ATOM 311 C LEU A 20 24.510 12.135 17.321 1.00 52.12 C ATOM 312 O LEU A 20 25.757 12.187 17.467 1.00 53.36 O ATOM 313 CB LEU A 20 23.109 14.267 17.407 1.00 50.38 C ATOM 314 CG LEU A 20 22.501 15.315 16.465 1.00 50.42 C ATOM 315 CD1 LEU A 20 21.772 16.387 17.224 1.00 51.62 C ATOM 316 CD2 LEU A 20 23.604 15.930 15.587 1.00 50.64 C ATOM 317 HA LEU A 20 24.601 13.713 15.980 1.00 0.00 H ATOM 318 HB2 LEU A 20 22.326 13.799 18.004 1.00 0.00 H ATOM 319 HB3 LEU A 20 23.838 14.734 18.069 1.00 0.00 H ATOM 320 HG LEU A 20 21.771 14.815 15.828 1.00 0.00 H ATOM 321 HD21 LEU A 20 24.350 16.406 16.223 1.00 0.00 H ATOM 322 HD22 LEU A 20 24.076 15.145 14.996 1.00 0.00 H ATOM 323 HD23 LEU A 20 23.165 16.673 14.921 1.00 0.00 H ATOM 324 HD11 LEU A 20 20.966 15.936 17.803 1.00 0.00 H ATOM 325 HD12 LEU A 20 22.467 16.891 17.896 1.00 0.00 H ATOM 326 HD13 LEU A 20 21.356 17.109 16.521 1.00 0.00 H ATOM 327 H LEU A 20 21.828 12.800 15.726 1.00 0.00 H ATOM 328 N LYS A 21 23.772 11.138 17.816 1.00 53.17 N ATOM 329 CA LYS A 21 24.442 10.007 18.458 1.00 54.29 C ATOM 330 C LYS A 21 25.003 9.060 17.392 1.00 54.92 C ATOM 331 O LYS A 21 24.960 7.829 17.535 1.00 55.63 O ATOM 332 CB LYS A 21 23.558 9.246 19.466 1.00 54.47 C ATOM 333 CG LYS A 21 22.469 8.364 18.862 1.00 55.56 C ATOM 334 CD LYS A 21 22.232 7.084 19.680 1.00 54.97 C ATOM 335 CE LYS A 21 21.011 6.336 19.162 1.00 55.77 C ATOM 336 NZ LYS A 21 20.878 4.958 19.710 1.00 55.81 N ATOM 337 HA LYS A 21 25.259 10.423 19.048 1.00 0.00 H ATOM 338 HB2 LYS A 21 24.208 8.611 20.068 1.00 0.00 H ATOM 339 HB3 LYS A 21 23.075 9.981 20.109 1.00 0.00 H ATOM 340 HG2 LYS A 21 21.540 8.932 18.823 1.00 0.00 H ATOM 341 HG3 LYS A 21 22.765 8.084 17.851 1.00 0.00 H ATOM 342 HD2 LYS A 21 23.108 6.440 19.600 1.00 0.00 H ATOM 343 HD3 LYS A 21 22.073 7.350 20.725 1.00 0.00 H ATOM 344 HE2 LYS A 21 21.082 6.270 18.076 1.00 0.00 H ATOM 345 HE3 LYS A 21 20.120 6.902 19.432 1.00 0.00 H ATOM 346 HZ1 LYS A 21 21.717 4.401 19.451 1.00 0.00 H ATOM 347 HZ2 LYS A 21 20.798 5.004 20.746 1.00 0.00 H ATOM 348 HZ3 LYS A 21 20.027 4.510 19.315 1.00 0.00 H ATOM 349 H LYS A 21 22.735 11.165 17.746 1.00 0.00 H ATOM 350 N GLY A 22 25.481 9.651 16.304 1.00 54.83 N ATOM 351 CA GLY A 22 26.124 8.902 15.248 1.00 54.66 C ATOM 352 C GLY A 22 27.621 8.967 15.526 1.00 54.51 C ATOM 353 O GLY A 22 28.283 7.939 15.676 1.00 55.35 O ATOM 354 HA3 GLY A 22 25.900 9.348 14.279 1.00 0.00 H ATOM 355 HA2 GLY A 22 25.783 7.867 15.258 1.00 0.00 H ATOM 356 H GLY A 22 25.390 10.683 16.208 1.00 0.00 H ATOM 357 N GLY A 23 28.154 10.189 15.605 1.00 53.72 N ATOM 358 CA GLY A 23 29.549 10.427 15.920 1.00 52.20 C ATOM 359 C GLY A 23 30.177 11.501 15.049 1.00 51.33 C ATOM 360 O GLY A 23 30.353 12.645 15.466 1.00 51.50 O ATOM 361 HA3 GLY A 23 30.101 9.498 15.779 1.00 0.00 H ATOM 362 HA2 GLY A 23 29.622 10.737 16.962 1.00 0.00 H ATOM 363 H GLY A 23 27.539 11.009 15.432 1.00 0.00 H ATOM 364 N VAL A 24 30.472 11.121 13.815 1.00 49.55 N ATOM 365 CA VAL A 24 31.073 11.996 12.828 1.00 48.15 C ATOM 366 C VAL A 24 30.130 13.063 12.216 1.00 46.55 C ATOM 367 O VAL A 24 28.913 12.865 12.133 1.00 45.96 O ATOM 368 CB VAL A 24 31.611 11.135 11.683 1.00 47.76 C ATOM 369 CG1 VAL A 24 32.772 11.818 11.019 1.00 48.06 C ATOM 370 CG2 VAL A 24 32.002 9.730 12.205 1.00 48.75 C ATOM 371 HA VAL A 24 31.848 12.547 13.361 1.00 0.00 H ATOM 372 HB VAL A 24 30.828 11.007 10.936 1.00 0.00 H ATOM 373 HG11 VAL A 24 32.447 12.779 10.620 1.00 0.00 H ATOM 374 HG12 VAL A 24 33.565 11.976 11.750 1.00 0.00 H ATOM 375 HG13 VAL A 24 33.143 11.193 10.207 1.00 0.00 H ATOM 376 HG21 VAL A 24 32.773 9.829 12.969 1.00 0.00 H ATOM 377 HG22 VAL A 24 31.124 9.246 12.633 1.00 0.00 H ATOM 378 HG23 VAL A 24 32.383 9.130 11.379 1.00 0.00 H ATOM 379 H VAL A 24 30.261 10.141 13.539 1.00 0.00 H ATOM 380 N ASP A 25 30.698 14.211 11.841 1.00 44.51 N ATOM 381 CA ASP A 25 29.967 15.175 11.027 1.00 42.49 C ATOM 382 C ASP A 25 29.818 14.356 9.766 1.00 39.69 C ATOM 383 O ASP A 25 30.624 13.468 9.541 1.00 38.80 O ATOM 384 CB ASP A 25 30.864 16.321 10.561 1.00 43.21 C ATOM 385 CG ASP A 25 31.267 17.273 11.635 1.00 45.02 C ATOM 386 OD1 ASP A 25 32.373 17.800 11.448 1.00 49.73 O ATOM 387 OD2 ASP A 25 30.594 17.635 12.635 1.00 46.76 O ATOM 388 HA ASP A 25 29.093 15.575 11.540 1.00 0.00 H ATOM 389 HB2 ASP A 25 31.769 15.891 10.131 1.00 0.00 H ATOM 390 HB3 ASP A 25 30.329 16.881 9.794 1.00 0.00 H ATOM 391 H ASP A 25 31.674 14.421 12.133 1.00 0.00 H ATOM 392 N GLY A 26 28.856 14.649 8.908 1.00 37.47 N ATOM 393 CA GLY A 26 28.776 13.866 7.682 1.00 35.34 C ATOM 394 C GLY A 26 27.761 12.727 7.737 1.00 35.02 C ATOM 395 O GLY A 26 27.595 11.968 6.754 1.00 33.42 O ATOM 396 HA3 GLY A 26 29.759 13.440 7.483 1.00 0.00 H ATOM 397 HA2 GLY A 26 28.498 14.534 6.866 1.00 0.00 H ATOM 398 H GLY A 26 28.178 15.414 9.102 1.00 0.00 H ATOM 399 N ASN A 27 27.108 12.576 8.893 1.00 33.72 N ATOM 400 CA ASN A 27 26.021 11.598 8.958 1.00 34.67 C ATOM 401 C ASN A 27 24.813 12.193 8.259 1.00 33.31 C ATOM 402 O ASN A 27 24.450 13.321 8.550 1.00 33.92 O ATOM 403 CB ASN A 27 25.668 11.280 10.403 1.00 34.21 C ATOM 404 CG ASN A 27 26.768 10.547 11.086 1.00 36.03 C ATOM 405 OD1 ASN A 27 27.441 9.717 10.453 1.00 32.41 O ATOM 406 ND2 ASN A 27 26.997 10.860 12.362 1.00 35.95 N ATOM 407 HA ASN A 27 26.332 10.672 8.474 1.00 0.00 H ATOM 408 HB2 ASN A 27 25.480 12.212 10.935 1.00 0.00 H ATOM 409 HB3 ASN A 27 24.768 10.665 10.421 1.00 0.00 H ATOM 410 HD22 ASN A 27 26.399 11.564 12.840 1.00 0.00 H ATOM 411 HD21 ASN A 27 27.774 10.400 12.879 1.00 0.00 H ATOM 412 H ASN A 27 27.366 13.140 9.727 1.00 0.00 H ATOM 413 N PHE A 28 24.214 11.461 7.331 1.00 32.34 N ATOM 414 CA PHE A 28 23.062 12.022 6.640 1.00 32.38 C ATOM 415 C PHE A 28 21.976 11.027 6.247 1.00 31.89 C ATOM 416 O PHE A 28 22.248 9.839 6.066 1.00 30.85 O ATOM 417 CB PHE A 28 23.521 12.683 5.364 1.00 31.01 C ATOM 418 CG PHE A 28 23.776 11.726 4.271 1.00 30.81 C ATOM 419 CD1 PHE A 28 22.804 11.436 3.348 1.00 30.38 C ATOM 420 CD2 PHE A 28 25.001 11.101 4.154 1.00 32.37 C ATOM 421 CE1 PHE A 28 23.050 10.563 2.334 1.00 28.72 C ATOM 422 CE2 PHE A 28 25.250 10.231 3.127 1.00 26.53 C ATOM 423 CZ PHE A 28 24.283 9.946 2.239 1.00 29.79 C ATOM 424 HA PHE A 28 22.622 12.710 7.362 1.00 0.00 H ATOM 425 HB2 PHE A 28 22.750 13.382 5.039 1.00 0.00 H ATOM 426 HB3 PHE A 28 24.442 13.229 5.569 1.00 0.00 H ATOM 427 HD2 PHE A 28 25.780 11.303 4.889 1.00 0.00 H ATOM 428 HE2 PHE A 28 26.233 9.770 3.030 1.00 0.00 H ATOM 429 HZ PHE A 28 24.471 9.227 1.442 1.00 0.00 H ATOM 430 HE1 PHE A 28 22.275 10.350 1.597 1.00 0.00 H ATOM 431 HD1 PHE A 28 21.825 11.909 3.428 1.00 0.00 H ATOM 432 H PHE A 28 24.559 10.507 7.101 1.00 0.00 H ATOM 433 N LEU A 29 20.770 11.559 6.044 1.00 30.33 N ATOM 434 CA LEU A 29 19.639 10.761 5.567 1.00 29.75 C ATOM 435 C LEU A 29 18.652 11.693 4.888 1.00 29.49 C ATOM 436 O LEU A 29 18.760 12.903 5.022 1.00 28.09 O ATOM 437 CB LEU A 29 18.922 10.071 6.742 1.00 29.50 C ATOM 438 CG LEU A 29 18.321 10.928 7.841 1.00 29.02 C ATOM 439 CD1 LEU A 29 16.932 11.513 7.450 1.00 25.36 C ATOM 440 CD2 LEU A 29 18.172 10.097 9.136 1.00 31.02 C ATOM 441 HA LEU A 29 20.007 9.999 4.880 1.00 0.00 H ATOM 442 HB2 LEU A 29 18.111 9.479 6.318 1.00 0.00 H ATOM 443 HB3 LEU A 29 19.647 9.408 7.214 1.00 0.00 H ATOM 444 HG LEU A 29 19.003 11.764 7.999 1.00 0.00 H ATOM 445 HD21 LEU A 29 17.519 9.245 8.946 1.00 0.00 H ATOM 446 HD22 LEU A 29 19.152 9.741 9.453 1.00 0.00 H ATOM 447 HD23 LEU A 29 17.740 10.721 9.919 1.00 0.00 H ATOM 448 HD11 LEU A 29 17.038 12.134 6.560 1.00 0.00 H ATOM 449 HD12 LEU A 29 16.240 10.696 7.245 1.00 0.00 H ATOM 450 HD13 LEU A 29 16.549 12.117 8.272 1.00 0.00 H ATOM 451 H LEU A 29 20.629 12.572 6.230 1.00 0.00 H ATOM 452 N ILE A 30 17.680 11.125 4.173 1.00 28.69 N ATOM 453 CA ILE A 30 16.617 11.937 3.623 1.00 27.44 C ATOM 454 C ILE A 30 15.330 11.662 4.390 1.00 27.07 C ATOM 455 O ILE A 30 15.035 10.511 4.745 1.00 27.13 O ATOM 456 CB ILE A 30 16.462 11.683 2.126 1.00 28.11 C ATOM 457 CG1 ILE A 30 17.666 12.240 1.407 1.00 26.63 C ATOM 458 CG2 ILE A 30 15.273 12.418 1.585 1.00 24.69 C ATOM 459 CD1 ILE A 30 17.781 11.837 -0.003 1.00 27.90 C ATOM 460 HA ILE A 30 16.863 12.993 3.736 1.00 0.00 H ATOM 461 HB ILE A 30 16.351 10.609 1.976 1.00 0.00 H ATOM 462 HG12 ILE A 30 17.612 13.328 1.446 1.00 0.00 H ATOM 463 HG13 ILE A 30 18.561 11.903 1.931 1.00 0.00 H ATOM 464 HD11 ILE A 30 17.851 10.751 -0.065 1.00 0.00 H ATOM 465 HD12 ILE A 30 16.902 12.177 -0.550 1.00 0.00 H ATOM 466 HD13 ILE A 30 18.675 12.285 -0.436 1.00 0.00 H ATOM 467 HG21 ILE A 30 14.373 12.077 2.096 1.00 0.00 H ATOM 468 HG22 ILE A 30 15.403 13.488 1.750 1.00 0.00 H ATOM 469 HG23 ILE A 30 15.182 12.222 0.517 1.00 0.00 H ATOM 470 H ILE A 30 17.686 10.098 4.011 1.00 0.00 H ATOM 471 N ARG A 31 14.601 12.714 4.747 1.00 26.75 N ATOM 472 CA ARG A 31 13.303 12.502 5.368 1.00 26.28 C ATOM 473 C ARG A 31 12.239 13.420 4.760 1.00 27.10 C ATOM 474 O ARG A 31 12.547 14.287 3.952 1.00 26.97 O ATOM 475 CB ARG A 31 13.373 12.636 6.901 1.00 26.05 C ATOM 476 CG ARG A 31 13.954 13.948 7.351 1.00 27.94 C ATOM 477 CD ARG A 31 13.591 14.301 8.743 1.00 31.58 C ATOM 478 NE ARG A 31 14.127 15.597 9.116 1.00 35.42 N ATOM 479 CZ ARG A 31 13.450 16.708 8.972 1.00 33.98 C ATOM 480 NH1 ARG A 31 12.205 16.659 8.488 1.00 33.86 N ATOM 481 NH2 ARG A 31 13.997 17.850 9.336 1.00 31.67 N ATOM 482 HA ARG A 31 13.003 11.475 5.157 1.00 0.00 H ATOM 483 HB2 ARG A 31 12.364 12.546 7.304 1.00 0.00 H ATOM 484 HB3 ARG A 31 13.993 11.829 7.292 1.00 0.00 H ATOM 485 HG2 ARG A 31 15.040 13.888 7.281 1.00 0.00 H ATOM 486 HG3 ARG A 31 13.591 14.733 6.688 1.00 0.00 H ATOM 487 HD2 ARG A 31 13.991 13.544 9.417 1.00 0.00 H ATOM 488 HD3 ARG A 31 12.505 14.327 8.831 1.00 0.00 H ATOM 489 HE ARG A 31 15.087 15.645 9.513 1.00 0.00 H ATOM 490 HH12 ARG A 31 11.658 17.536 8.370 1.00 0.00 H ATOM 491 HH11 ARG A 31 11.783 15.744 8.230 1.00 0.00 H ATOM 492 HH22 ARG A 31 13.468 18.739 9.226 1.00 0.00 H ATOM 493 HH21 ARG A 31 14.958 17.863 9.733 1.00 0.00 H ATOM 494 H ARG A 31 14.955 13.678 4.584 1.00 0.00 H ATOM 495 N ASP A 32 10.976 13.193 5.130 1.00 26.41 N ATOM 496 CA ASP A 32 9.901 13.988 4.616 1.00 26.01 C ATOM 497 C ASP A 32 9.901 15.264 5.404 1.00 26.89 C ATOM 498 O ASP A 32 10.100 15.249 6.645 1.00 23.91 O ATOM 499 CB ASP A 32 8.554 13.269 4.815 1.00 26.37 C ATOM 500 CG ASP A 32 8.376 12.083 3.866 1.00 24.10 C ATOM 501 OD1 ASP A 32 7.588 11.219 4.171 1.00 26.99 O ATOM 502 OD2 ASP A 32 8.994 11.899 2.812 1.00 24.04 O ATOM 503 HA ASP A 32 10.032 14.168 3.549 1.00 0.00 H ATOM 504 HB2 ASP A 32 8.499 12.907 5.842 1.00 0.00 H ATOM 505 HB3 ASP A 32 7.748 13.981 4.639 1.00 0.00 H ATOM 506 H ASP A 32 10.770 12.427 5.802 1.00 0.00 H ATOM 507 N SER A 33 9.685 16.379 4.701 1.00 26.87 N ATOM 508 CA SER A 33 9.657 17.647 5.404 1.00 29.28 C ATOM 509 C SER A 33 8.387 17.832 6.208 1.00 30.37 C ATOM 510 O SER A 33 7.274 17.501 5.762 1.00 31.83 O ATOM 511 CB SER A 33 9.758 18.829 4.455 1.00 28.28 C ATOM 512 OG SER A 33 9.364 19.965 5.208 1.00 29.45 O ATOM 513 HA SER A 33 10.521 17.617 6.068 1.00 0.00 H ATOM 514 HB2 SER A 33 9.093 18.689 3.602 1.00 0.00 H ATOM 515 HB3 SER A 33 10.782 18.945 4.100 1.00 0.00 H ATOM 516 HG SER A 33 9.971 20.073 5.982 1.00 0.00 H ATOM 517 H SER A 33 9.540 16.339 3.672 1.00 0.00 H ATOM 518 N GLU A 34 8.527 18.391 7.388 1.00 32.36 N ATOM 519 CA GLU A 34 7.333 18.676 8.182 1.00 34.27 C ATOM 520 C GLU A 34 6.733 20.034 7.875 1.00 33.97 C ATOM 521 O GLU A 34 5.534 20.178 7.956 1.00 35.32 O ATOM 522 CB GLU A 34 7.595 18.519 9.681 1.00 34.37 C ATOM 523 CG GLU A 34 8.020 17.113 10.030 1.00 38.84 C ATOM 524 CD GLU A 34 8.248 16.921 11.510 1.00 44.72 C ATOM 525 OE1 GLU A 34 8.560 15.781 11.923 1.00 46.36 O ATOM 526 OE2 GLU A 34 8.106 17.916 12.260 1.00 49.16 O ATOM 527 HA GLU A 34 6.594 17.930 7.890 1.00 0.00 H ATOM 528 HB2 GLU A 34 8.384 19.210 9.976 1.00 0.00 H ATOM 529 HB3 GLU A 34 6.682 18.758 10.226 1.00 0.00 H ATOM 530 HG2 GLU A 34 7.242 16.423 9.705 1.00 0.00 H ATOM 531 HG3 GLU A 34 8.947 16.888 9.502 1.00 0.00 H ATOM 532 H GLU A 34 9.472 18.627 7.752 1.00 0.00 H ATOM 533 N SER A 35 7.557 21.014 7.509 1.00 34.48 N ATOM 534 CA SER A 35 7.079 22.389 7.221 1.00 34.39 C ATOM 535 C SER A 35 6.471 22.518 5.846 1.00 34.52 C ATOM 536 O SER A 35 5.413 23.135 5.713 1.00 35.80 O ATOM 537 CB SER A 35 8.204 23.407 7.318 1.00 33.90 C ATOM 538 OG SER A 35 8.472 23.752 8.662 1.00 38.44 O ATOM 539 HA SER A 35 6.318 22.587 7.976 1.00 0.00 H ATOM 540 HB2 SER A 35 7.918 24.305 6.771 1.00 0.00 H ATOM 541 HB3 SER A 35 9.105 22.984 6.874 1.00 0.00 H ATOM 542 HG SER A 35 8.737 22.941 9.163 1.00 0.00 H ATOM 543 H SER A 35 8.573 20.808 7.422 1.00 0.00 H ATOM 544 N VAL A 36 7.124 21.966 4.821 1.00 32.70 N ATOM 545 CA VAL A 36 6.596 22.036 3.456 1.00 32.11 C ATOM 546 C VAL A 36 6.100 20.652 3.017 1.00 31.19 C ATOM 547 O VAL A 36 6.856 19.816 2.571 1.00 29.96 O ATOM 548 CB VAL A 36 7.681 22.569 2.506 1.00 32.51 C ATOM 549 CG1 VAL A 36 7.189 22.768 1.090 1.00 33.14 C ATOM 550 CG2 VAL A 36 8.235 23.866 3.042 1.00 32.28 C ATOM 551 HA VAL A 36 5.750 22.723 3.425 1.00 0.00 H ATOM 552 HB VAL A 36 8.462 21.810 2.463 1.00 0.00 H ATOM 553 HG11 VAL A 36 6.840 21.816 0.691 1.00 0.00 H ATOM 554 HG12 VAL A 36 6.369 23.486 1.089 1.00 0.00 H ATOM 555 HG13 VAL A 36 8.004 23.145 0.473 1.00 0.00 H ATOM 556 HG21 VAL A 36 7.431 24.598 3.120 1.00 0.00 H ATOM 557 HG22 VAL A 36 8.669 23.695 4.027 1.00 0.00 H ATOM 558 HG23 VAL A 36 9.003 24.239 2.365 1.00 0.00 H ATOM 559 H VAL A 36 8.025 21.477 4.995 1.00 0.00 H ATOM 560 N PRO A 37 4.810 20.396 3.143 1.00 30.66 N ATOM 561 CA PRO A 37 4.324 19.049 2.890 1.00 29.29 C ATOM 562 C PRO A 37 4.531 18.619 1.422 1.00 28.71 C ATOM 563 O PRO A 37 4.285 19.339 0.447 1.00 27.60 O ATOM 564 CB PRO A 37 2.870 19.114 3.336 1.00 30.62 C ATOM 565 CG PRO A 37 2.771 20.354 4.204 1.00 29.24 C ATOM 566 CD PRO A 37 3.723 21.327 3.515 1.00 31.26 C ATOM 567 HA PRO A 37 4.869 18.276 3.432 1.00 0.00 H ATOM 568 HD3 PRO A 37 3.267 21.789 2.639 1.00 0.00 H ATOM 569 HD2 PRO A 37 4.070 22.105 4.195 1.00 0.00 H ATOM 570 HG3 PRO A 37 3.093 20.146 5.224 1.00 0.00 H ATOM 571 HG2 PRO A 37 1.753 20.744 4.218 1.00 0.00 H ATOM 572 HB2 PRO A 37 2.209 19.198 2.473 1.00 0.00 H ATOM 573 HB3 PRO A 37 2.606 18.225 3.909 1.00 0.00 H ATOM 574 N GLY A 38 5.137 17.449 1.277 1.00 27.19 N ATOM 575 CA GLY A 38 5.435 16.947 -0.044 1.00 26.35 C ATOM 576 C GLY A 38 6.873 17.135 -0.408 1.00 25.42 C ATOM 577 O GLY A 38 7.350 16.507 -1.338 1.00 26.95 O ATOM 578 HA3 GLY A 38 4.817 17.477 -0.769 1.00 0.00 H ATOM 579 HA2 GLY A 38 5.200 15.883 -0.077 1.00 0.00 H ATOM 580 H GLY A 38 5.398 16.892 2.115 1.00 0.00 H ATOM 581 N ALA A 39 7.578 17.988 0.324 1.00 24.92 N ATOM 582 CA ALA A 39 9.007 18.208 0.098 1.00 23.48 C ATOM 583 C ALA A 39 9.821 17.227 0.898 1.00 23.42 C ATOM 584 O ALA A 39 9.300 16.581 1.809 1.00 22.38 O ATOM 585 CB ALA A 39 9.392 19.621 0.525 1.00 23.00 C ATOM 586 HA ALA A 39 9.209 18.072 -0.964 1.00 0.00 H ATOM 587 HB1 ALA A 39 8.821 20.344 -0.058 1.00 0.00 H ATOM 588 HB2 ALA A 39 9.172 19.752 1.584 1.00 0.00 H ATOM 589 HB3 ALA A 39 10.457 19.774 0.352 1.00 0.00 H ATOM 590 H ALA A 39 7.100 18.517 1.082 1.00 0.00 H ATOM 591 N LEU A 40 11.121 17.167 0.598 1.00 23.81 N ATOM 592 CA LEU A 40 12.048 16.296 1.323 1.00 23.75 C ATOM 593 C LEU A 40 13.138 17.138 2.004 1.00 24.61 C ATOM 594 O LEU A 40 13.253 18.322 1.704 1.00 24.86 O ATOM 595 CB LEU A 40 12.757 15.332 0.374 1.00 22.60 C ATOM 596 CG LEU A 40 11.969 14.466 -0.599 1.00 21.58 C ATOM 597 CD1 LEU A 40 12.899 13.662 -1.460 1.00 20.03 C ATOM 598 CD2 LEU A 40 10.978 13.555 0.128 1.00 25.42 C ATOM 599 HA LEU A 40 11.461 15.740 2.054 1.00 0.00 H ATOM 600 HB2 LEU A 40 13.437 15.934 -0.228 1.00 0.00 H ATOM 601 HB3 LEU A 40 13.334 14.650 0.999 1.00 0.00 H ATOM 602 HG LEU A 40 11.390 15.132 -1.239 1.00 0.00 H ATOM 603 HD21 LEU A 40 11.521 12.900 0.809 1.00 0.00 H ATOM 604 HD22 LEU A 40 10.273 14.165 0.693 1.00 0.00 H ATOM 605 HD23 LEU A 40 10.436 12.954 -0.602 1.00 0.00 H ATOM 606 HD11 LEU A 40 13.542 14.336 -2.026 1.00 0.00 H ATOM 607 HD12 LEU A 40 13.511 13.018 -0.829 1.00 0.00 H ATOM 608 HD13 LEU A 40 12.317 13.050 -2.149 1.00 0.00 H ATOM 609 H LEU A 40 11.487 17.758 -0.176 1.00 0.00 H ATOM 610 N CYS A 41 13.857 16.543 2.956 1.00 23.95 N ATOM 611 CA CYS A 41 14.950 17.218 3.603 1.00 24.97 C ATOM 612 C CYS A 41 16.176 16.400 3.573 1.00 24.97 C ATOM 613 O CYS A 41 16.184 15.313 4.070 1.00 26.60 O ATOM 614 CB CYS A 41 14.650 17.556 5.070 1.00 24.77 C ATOM 615 SG CYS A 41 13.266 18.667 5.316 1.00 24.57 S ATOM 616 HA CYS A 41 15.092 18.143 3.044 1.00 0.00 H ATOM 617 HB2 CYS A 41 15.538 18.019 5.500 1.00 0.00 H ATOM 618 HB3 CYS A 41 14.436 16.626 5.596 1.00 0.00 H ATOM 619 HG CYS A 41 13.095 18.895 6.666 1.00 0.00 H ATOM 620 H CYS A 41 13.622 15.570 3.237 1.00 0.00 H ATOM 621 N LEU A 42 17.246 16.938 3.011 1.00 25.96 N ATOM 622 CA LEU A 42 18.515 16.258 3.091 1.00 24.77 C ATOM 623 C LEU A 42 19.068 16.703 4.457 1.00 25.17 C ATOM 624 O LEU A 42 19.240 17.885 4.694 1.00 25.09 O ATOM 625 CB LEU A 42 19.422 16.724 1.962 1.00 24.68 C ATOM 626 CG LEU A 42 20.873 16.250 1.994 1.00 24.00 C ATOM 627 CD1 LEU A 42 20.918 14.749 2.207 1.00 26.23 C ATOM 628 CD2 LEU A 42 21.539 16.639 0.693 1.00 32.56 C ATOM 629 HA LEU A 42 18.438 15.175 3.000 1.00 0.00 H ATOM 630 HB2 LEU A 42 18.984 16.379 1.025 1.00 0.00 H ATOM 631 HB3 LEU A 42 19.432 17.814 1.977 1.00 0.00 H ATOM 632 HG LEU A 42 21.408 16.720 2.819 1.00 0.00 H ATOM 633 HD21 LEU A 42 21.013 16.168 -0.138 1.00 0.00 H ATOM 634 HD22 LEU A 42 21.505 17.722 0.579 1.00 0.00 H ATOM 635 HD23 LEU A 42 22.577 16.306 0.704 1.00 0.00 H ATOM 636 HD11 LEU A 42 20.437 14.503 3.154 1.00 0.00 H ATOM 637 HD12 LEU A 42 20.393 14.252 1.391 1.00 0.00 H ATOM 638 HD13 LEU A 42 21.956 14.417 2.229 1.00 0.00 H ATOM 639 H LEU A 42 17.172 17.848 2.513 1.00 0.00 H ATOM 640 N CYS A 43 19.372 15.776 5.345 1.00 24.95 N ATOM 641 CA CYS A 43 19.844 16.171 6.671 1.00 25.93 C ATOM 642 C CYS A 43 21.229 15.618 6.878 1.00 26.28 C ATOM 643 O CYS A 43 21.497 14.501 6.523 1.00 25.79 O ATOM 644 CB CYS A 43 18.937 15.668 7.800 1.00 25.39 C ATOM 645 SG CYS A 43 17.210 16.004 7.561 1.00 26.23 S ATOM 646 HA CYS A 43 19.838 17.260 6.708 1.00 0.00 H ATOM 647 HB2 CYS A 43 19.252 16.145 8.728 1.00 0.00 H ATOM 648 HB3 CYS A 43 19.066 14.589 7.886 1.00 0.00 H ATOM 649 HG CYS A 43 17.017 17.367 7.467 1.00 0.00 H ATOM 650 H CYS A 43 19.276 14.769 5.103 1.00 0.00 H ATOM 651 N VAL A 44 22.124 16.428 7.429 1.00 27.97 N ATOM 652 CA VAL A 44 23.507 15.965 7.616 1.00 28.18 C ATOM 653 C VAL A 44 24.022 16.454 8.954 1.00 28.74 C ATOM 654 O VAL A 44 23.607 17.479 9.458 1.00 27.29 O ATOM 655 CB VAL A 44 24.447 16.476 6.536 1.00 28.23 C ATOM 656 CG1 VAL A 44 24.338 17.980 6.415 1.00 26.41 C ATOM 657 CG2 VAL A 44 25.882 16.083 6.862 1.00 26.50 C ATOM 658 HA VAL A 44 23.487 14.876 7.565 1.00 0.00 H ATOM 659 HB VAL A 44 24.163 16.025 5.585 1.00 0.00 H ATOM 660 HG11 VAL A 44 23.315 18.249 6.154 1.00 0.00 H ATOM 661 HG12 VAL A 44 24.604 18.440 7.367 1.00 0.00 H ATOM 662 HG13 VAL A 44 25.017 18.331 5.638 1.00 0.00 H ATOM 663 HG21 VAL A 44 26.168 16.517 7.820 1.00 0.00 H ATOM 664 HG22 VAL A 44 25.956 14.997 6.917 1.00 0.00 H ATOM 665 HG23 VAL A 44 26.545 16.455 6.081 1.00 0.00 H ATOM 666 H VAL A 44 21.849 17.386 7.727 1.00 0.00 H ATOM 667 N SER A 45 24.897 15.678 9.560 1.00 30.06 N ATOM 668 CA SER A 45 25.410 16.132 10.831 1.00 31.57 C ATOM 669 C SER A 45 26.655 16.929 10.580 1.00 31.93 C ATOM 670 O SER A 45 27.459 16.577 9.737 1.00 31.36 O ATOM 671 CB SER A 45 25.761 14.953 11.726 1.00 30.06 C ATOM 672 OG SER A 45 26.700 14.163 11.076 1.00 31.41 O ATOM 673 HA SER A 45 24.648 16.734 11.327 1.00 0.00 H ATOM 674 HB2 SER A 45 24.865 14.366 11.928 1.00 0.00 H ATOM 675 HB3 SER A 45 26.175 15.317 12.666 1.00 0.00 H ATOM 676 HG SER A 45 26.935 13.392 11.651 1.00 0.00 H ATOM 677 H SER A 45 25.205 14.777 9.141 1.00 0.00 H ATOM 678 N PHE A 46 26.785 18.001 11.343 1.00 34.37 N ATOM 679 CA PHE A 46 27.961 18.854 11.341 1.00 35.06 C ATOM 680 C PHE A 46 28.015 19.655 12.664 1.00 35.15 C ATOM 681 O PHE A 46 27.061 20.355 13.032 1.00 34.59 O ATOM 682 CB PHE A 46 27.954 19.767 10.117 1.00 35.59 C ATOM 683 CG PHE A 46 29.065 20.778 10.118 1.00 37.55 C ATOM 684 CD1 PHE A 46 30.364 20.399 9.859 1.00 37.85 C ATOM 685 CD2 PHE A 46 28.798 22.105 10.420 1.00 39.11 C ATOM 686 CE1 PHE A 46 31.398 21.347 9.867 1.00 39.55 C ATOM 687 CE2 PHE A 46 29.806 23.044 10.426 1.00 41.53 C ATOM 688 CZ PHE A 46 31.113 22.663 10.151 1.00 40.12 C ATOM 689 HA PHE A 46 28.862 18.243 11.278 1.00 0.00 H ATOM 690 HB2 PHE A 46 28.050 19.149 9.224 1.00 0.00 H ATOM 691 HB3 PHE A 46 27.003 20.299 10.088 1.00 0.00 H ATOM 692 HD2 PHE A 46 27.778 22.409 10.656 1.00 0.00 H ATOM 693 HE2 PHE A 46 29.578 24.087 10.647 1.00 0.00 H ATOM 694 HZ PHE A 46 31.911 23.405 10.160 1.00 0.00 H ATOM 695 HE1 PHE A 46 32.422 21.043 9.649 1.00 0.00 H ATOM 696 HD1 PHE A 46 30.590 19.354 9.646 1.00 0.00 H ATOM 697 H PHE A 46 26.001 18.247 11.981 1.00 0.00 H ATOM 698 N LYS A 47 29.137 19.529 13.381 1.00 36.72 N ATOM 699 CA LYS A 47 29.368 20.202 14.683 1.00 37.50 C ATOM 700 C LYS A 47 28.284 20.000 15.737 1.00 38.46 C ATOM 701 O LYS A 47 27.797 20.968 16.312 1.00 38.60 O ATOM 702 CB LYS A 47 29.607 21.715 14.505 1.00 38.03 C ATOM 703 CG LYS A 47 31.052 22.089 14.126 1.00 39.34 C ATOM 704 CD LYS A 47 31.136 23.588 13.775 1.00 39.45 C ATOM 705 CE LYS A 47 32.568 24.080 13.731 1.00 42.74 C ATOM 706 NZ LYS A 47 33.283 23.784 12.439 1.00 36.31 N ATOM 707 HA LYS A 47 30.261 19.706 15.062 1.00 0.00 H ATOM 708 HB2 LYS A 47 28.944 22.075 13.719 1.00 0.00 H ATOM 709 HB3 LYS A 47 29.360 22.212 15.443 1.00 0.00 H ATOM 710 HG2 LYS A 47 31.712 21.878 14.967 1.00 0.00 H ATOM 711 HG3 LYS A 47 31.363 21.499 13.264 1.00 0.00 H ATOM 712 HD2 LYS A 47 30.678 23.748 12.799 1.00 0.00 H ATOM 713 HD3 LYS A 47 30.591 24.157 14.528 1.00 0.00 H ATOM 714 HE2 LYS A 47 33.118 23.605 14.543 1.00 0.00 H ATOM 715 HE3 LYS A 47 32.564 25.160 13.880 1.00 0.00 H ATOM 716 HZ1 LYS A 47 33.308 22.756 12.286 1.00 0.00 H ATOM 717 HZ2 LYS A 47 32.778 24.241 11.653 1.00 0.00 H ATOM 718 HZ3 LYS A 47 34.254 24.152 12.490 1.00 0.00 H ATOM 719 H LYS A 47 29.893 18.923 13.003 1.00 0.00 H ATOM 720 N LYS A 48 27.888 18.753 15.975 1.00 39.53 N ATOM 721 CA LYS A 48 26.865 18.428 16.981 1.00 40.15 C ATOM 722 C LYS A 48 25.485 19.057 16.762 1.00 40.71 C ATOM 723 O LYS A 48 24.790 19.388 17.732 1.00 41.25 O ATOM 724 CB LYS A 48 27.369 18.754 18.392 1.00 40.94 C ATOM 725 HA LYS A 48 26.708 17.356 16.862 1.00 0.00 H ATOM 726 HB2 LYS A 48 28.266 18.171 18.600 1.00 0.00 H ATOM 727 HB3 LYS A 48 27.602 19.817 18.457 1.00 0.00 H ATOM 728 H LYS A 48 28.318 17.979 15.430 1.00 0.00 H ATOM 729 N LEU A 49 25.089 19.205 15.500 1.00 39.95 N ATOM 730 CA LEU A 49 23.804 19.753 15.103 1.00 38.83 C ATOM 731 C LEU A 49 23.495 19.192 13.729 1.00 38.24 C ATOM 732 O LEU A 49 24.411 18.773 13.004 1.00 38.57 O ATOM 733 CB LEU A 49 23.825 21.283 15.014 1.00 39.82 C ATOM 734 CG LEU A 49 23.448 22.166 16.205 1.00 39.50 C ATOM 735 CD1 LEU A 49 23.056 23.560 15.733 1.00 40.23 C ATOM 736 CD2 LEU A 49 22.326 21.556 16.981 1.00 41.47 C ATOM 737 HA LEU A 49 23.055 19.483 15.848 1.00 0.00 H ATOM 738 HB2 LEU A 49 24.842 21.560 14.738 1.00 0.00 H ATOM 739 HB3 LEU A 49 23.145 21.552 14.206 1.00 0.00 H ATOM 740 HG LEU A 49 24.319 22.246 16.856 1.00 0.00 H ATOM 741 HD21 LEU A 49 21.456 21.446 16.334 1.00 0.00 H ATOM 742 HD22 LEU A 49 22.631 20.577 17.350 1.00 0.00 H ATOM 743 HD23 LEU A 49 22.075 22.201 17.823 1.00 0.00 H ATOM 744 HD11 LEU A 49 23.896 24.014 15.207 1.00 0.00 H ATOM 745 HD12 LEU A 49 22.201 23.488 15.061 1.00 0.00 H ATOM 746 HD13 LEU A 49 22.791 24.173 16.595 1.00 0.00 H ATOM 747 H LEU A 49 25.743 18.908 14.748 1.00 0.00 H ATOM 748 N VAL A 50 22.207 19.155 13.386 1.00 36.49 N ATOM 749 CA VAL A 50 21.789 18.654 12.091 1.00 34.12 C ATOM 750 C VAL A 50 21.520 19.798 11.147 1.00 33.07 C ATOM 751 O VAL A 50 20.893 20.774 11.506 1.00 31.45 O ATOM 752 CB VAL A 50 20.500 17.828 12.171 1.00 33.70 C ATOM 753 CG1 VAL A 50 19.942 17.682 10.812 1.00 30.18 C ATOM 754 CG2 VAL A 50 20.812 16.456 12.764 1.00 34.12 C ATOM 755 HA VAL A 50 22.604 18.023 11.735 1.00 0.00 H ATOM 756 HB VAL A 50 19.772 18.329 12.809 1.00 0.00 H ATOM 757 HG11 VAL A 50 19.724 18.668 10.402 1.00 0.00 H ATOM 758 HG12 VAL A 50 20.667 17.175 10.175 1.00 0.00 H ATOM 759 HG13 VAL A 50 19.024 17.096 10.858 1.00 0.00 H ATOM 760 HG21 VAL A 50 21.535 15.943 12.129 1.00 0.00 H ATOM 761 HG22 VAL A 50 21.228 16.580 13.764 1.00 0.00 H ATOM 762 HG23 VAL A 50 19.895 15.869 12.821 1.00 0.00 H ATOM 763 H VAL A 50 21.489 19.491 14.059 1.00 0.00 H ATOM 764 N TYR A 51 21.973 19.658 9.910 1.00 32.02 N ATOM 765 CA TYR A 51 21.721 20.728 8.972 1.00 30.29 C ATOM 766 C TYR A 51 20.817 20.160 7.907 1.00 29.13 C ATOM 767 O TYR A 51 21.132 19.136 7.279 1.00 29.46 O ATOM 768 CB TYR A 51 23.036 21.327 8.460 1.00 30.36 C ATOM 769 CG TYR A 51 23.660 22.318 9.440 1.00 30.08 C ATOM 770 CD1 TYR A 51 24.482 21.889 10.484 1.00 32.11 C ATOM 771 CD2 TYR A 51 23.444 23.689 9.304 1.00 29.34 C ATOM 772 CE1 TYR A 51 25.043 22.789 11.389 1.00 29.33 C ATOM 773 CE2 TYR A 51 24.020 24.612 10.182 1.00 28.64 C ATOM 774 CZ TYR A 51 24.801 24.153 11.237 1.00 33.23 C ATOM 775 OH TYR A 51 25.369 25.072 12.120 1.00 35.57 O ATOM 776 HA TYR A 51 21.215 21.578 9.430 1.00 0.00 H ATOM 777 HB3 TYR A 51 22.840 21.843 7.520 1.00 0.00 H ATOM 778 HB2 TYR A 51 23.744 20.516 8.287 1.00 0.00 H ATOM 779 HD2 TYR A 51 22.811 24.050 8.493 1.00 0.00 H ATOM 780 HE2 TYR A 51 23.859 25.681 10.041 1.00 0.00 H ATOM 781 HE1 TYR A 51 25.665 22.429 12.208 1.00 0.00 H ATOM 782 HD1 TYR A 51 24.690 20.825 10.594 1.00 0.00 H ATOM 783 HH TYR A 51 25.891 24.588 12.808 1.00 0.00 H ATOM 784 H TYR A 51 22.494 18.805 9.623 1.00 0.00 H ATOM 785 N SER A 52 19.662 20.796 7.749 1.00 27.40 N ATOM 786 CA SER A 52 18.630 20.294 6.854 1.00 26.79 C ATOM 787 C SER A 52 18.470 21.161 5.647 1.00 24.16 C ATOM 788 O SER A 52 18.293 22.328 5.779 1.00 24.54 O ATOM 789 CB SER A 52 17.276 20.278 7.570 1.00 26.67 C ATOM 790 OG SER A 52 17.241 19.190 8.464 1.00 31.83 O ATOM 791 HA SER A 52 18.939 19.293 6.553 1.00 0.00 H ATOM 792 HB2 SER A 52 16.476 20.174 6.837 1.00 0.00 H ATOM 793 HB3 SER A 52 17.143 21.209 8.122 1.00 0.00 H ATOM 794 HG SER A 52 16.367 19.175 8.930 1.00 0.00 H ATOM 795 H SER A 52 19.491 21.675 8.278 1.00 0.00 H ATOM 796 N TYR A 53 18.440 20.559 4.478 1.00 22.17 N ATOM 797 CA TYR A 53 18.269 21.308 3.251 1.00 20.88 C ATOM 798 C TYR A 53 16.991 20.824 2.596 1.00 19.94 C ATOM 799 O TYR A 53 16.901 19.643 2.246 1.00 19.22 O ATOM 800 CB TYR A 53 19.445 21.063 2.301 1.00 20.54 C ATOM 801 CG TYR A 53 20.763 21.613 2.865 1.00 21.28 C ATOM 802 CD1 TYR A 53 21.474 20.914 3.829 1.00 22.44 C ATOM 803 CD2 TYR A 53 21.234 22.861 2.487 1.00 23.25 C ATOM 804 CE1 TYR A 53 22.653 21.436 4.396 1.00 25.98 C ATOM 805 CE2 TYR A 53 22.431 23.372 3.013 1.00 25.54 C ATOM 806 CZ TYR A 53 23.112 22.666 4.001 1.00 26.27 C ATOM 807 OH TYR A 53 24.265 23.185 4.570 1.00 26.80 O ATOM 808 HA TYR A 53 18.223 22.375 3.470 1.00 0.00 H ATOM 809 HB3 TYR A 53 19.237 21.553 1.350 1.00 0.00 H ATOM 810 HB2 TYR A 53 19.551 19.990 2.141 1.00 0.00 H ATOM 811 HD2 TYR A 53 20.666 23.454 1.770 1.00 0.00 H ATOM 812 HE2 TYR A 53 22.827 24.320 2.648 1.00 0.00 H ATOM 813 HE1 TYR A 53 23.199 20.864 5.146 1.00 0.00 H ATOM 814 HD1 TYR A 53 21.112 19.939 4.155 1.00 0.00 H ATOM 815 HH TYR A 53 24.058 24.052 5.001 1.00 0.00 H ATOM 816 H TYR A 53 18.541 19.525 4.434 1.00 0.00 H ATOM 817 N ARG A 54 15.984 21.671 2.472 1.00 16.80 N ATOM 818 CA ARG A 54 14.768 21.163 1.829 1.00 17.96 C ATOM 819 C ARG A 54 14.966 20.828 0.355 1.00 18.08 C ATOM 820 O ARG A 54 15.748 21.466 -0.323 1.00 16.87 O ATOM 821 CB ARG A 54 13.591 22.117 1.983 1.00 17.55 C ATOM 822 CG ARG A 54 13.225 22.363 3.401 1.00 20.89 C ATOM 823 CD ARG A 54 11.880 23.084 3.503 1.00 31.79 C ATOM 824 NE ARG A 54 11.634 23.319 4.908 1.00 37.14 N ATOM 825 CZ ARG A 54 11.885 24.466 5.496 1.00 36.10 C ATOM 826 NH1 ARG A 54 12.319 25.481 4.770 1.00 36.26 N ATOM 827 NH2 ARG A 54 11.681 24.591 6.798 1.00 38.93 N ATOM 828 HA ARG A 54 14.539 20.236 2.355 1.00 0.00 H ATOM 829 HB2 ARG A 54 13.853 23.069 1.521 1.00 0.00 H ATOM 830 HB3 ARG A 54 12.729 21.691 1.470 1.00 0.00 H ATOM 831 HG2 ARG A 54 13.159 21.408 3.923 1.00 0.00 H ATOM 832 HG3 ARG A 54 13.995 22.978 3.867 1.00 0.00 H ATOM 833 HD2 ARG A 54 11.089 22.463 3.082 1.00 0.00 H ATOM 834 HD3 ARG A 54 11.921 24.032 2.966 1.00 0.00 H ATOM 835 HE ARG A 54 11.240 22.544 5.479 1.00 0.00 H ATOM 836 HH12 ARG A 54 12.522 26.395 5.223 1.00 0.00 H ATOM 837 HH11 ARG A 54 12.458 25.366 3.746 1.00 0.00 H ATOM 838 HH22 ARG A 54 11.878 25.496 7.271 1.00 0.00 H ATOM 839 HH21 ARG A 54 11.324 23.784 7.348 1.00 0.00 H ATOM 840 H ARG A 54 16.051 22.651 2.814 1.00 0.00 H ATOM 841 N ILE A 55 14.221 19.826 -0.095 1.00 19.13 N ATOM 842 CA ILE A 55 14.209 19.386 -1.477 1.00 21.41 C ATOM 843 C ILE A 55 12.791 19.447 -1.997 1.00 21.57 C ATOM 844 O ILE A 55 11.846 18.826 -1.463 1.00 20.61 O ATOM 845 CB ILE A 55 14.764 17.991 -1.619 1.00 21.67 C ATOM 846 CG1 ILE A 55 16.178 17.955 -1.035 1.00 24.28 C ATOM 847 CG2 ILE A 55 14.755 17.511 -3.129 1.00 22.98 C ATOM 848 CD1 ILE A 55 16.729 16.563 -0.802 1.00 22.80 C ATOM 849 HA ILE A 55 14.848 20.047 -2.062 1.00 0.00 H ATOM 850 HB ILE A 55 14.128 17.299 -1.067 1.00 0.00 H ATOM 851 HG12 ILE A 55 16.844 18.474 -1.724 1.00 0.00 H ATOM 852 HG13 ILE A 55 16.165 18.480 -0.080 1.00 0.00 H ATOM 853 HD11 ILE A 55 16.084 16.031 -0.103 1.00 0.00 H ATOM 854 HD12 ILE A 55 16.764 16.024 -1.749 1.00 0.00 H ATOM 855 HD13 ILE A 55 17.734 16.636 -0.387 1.00 0.00 H ATOM 856 HG21 ILE A 55 13.732 17.515 -3.504 1.00 0.00 H ATOM 857 HG22 ILE A 55 15.365 18.187 -3.728 1.00 0.00 H ATOM 858 HG23 ILE A 55 15.162 16.502 -3.191 1.00 0.00 H ATOM 859 H ILE A 55 13.610 19.327 0.583 1.00 0.00 H ATOM 860 N PHE A 56 12.641 20.212 -3.050 1.00 23.41 N ATOM 861 CA PHE A 56 11.333 20.332 -3.643 1.00 26.34 C ATOM 862 C PHE A 56 11.223 19.480 -4.887 1.00 28.22 C ATOM 863 O PHE A 56 12.120 19.459 -5.726 1.00 27.31 O ATOM 864 CB PHE A 56 11.040 21.797 -3.972 1.00 25.25 C ATOM 865 CG PHE A 56 11.238 22.721 -2.800 1.00 26.46 C ATOM 866 CD1 PHE A 56 12.346 23.568 -2.742 1.00 27.13 C ATOM 867 CD2 PHE A 56 10.328 22.743 -1.762 1.00 24.61 C ATOM 868 CE1 PHE A 56 12.531 24.428 -1.654 1.00 28.27 C ATOM 869 CE2 PHE A 56 10.524 23.568 -0.668 1.00 29.24 C ATOM 870 CZ PHE A 56 11.624 24.421 -0.604 1.00 25.62 C ATOM 871 HA PHE A 56 10.595 19.975 -2.924 1.00 0.00 H ATOM 872 HB2 PHE A 56 11.705 22.111 -4.777 1.00 0.00 H ATOM 873 HB3 PHE A 56 10.005 21.877 -4.305 1.00 0.00 H ATOM 874 HD2 PHE A 56 9.446 22.104 -1.804 1.00 0.00 H ATOM 875 HE2 PHE A 56 9.809 23.550 0.154 1.00 0.00 H ATOM 876 HZ PHE A 56 11.770 25.073 0.258 1.00 0.00 H ATOM 877 HE1 PHE A 56 13.387 25.103 -1.631 1.00 0.00 H ATOM 878 HD1 PHE A 56 13.075 23.559 -3.553 1.00 0.00 H ATOM 879 H PHE A 56 13.452 20.724 -3.451 1.00 0.00 H ATOM 880 N ARG A 57 10.109 18.777 -5.000 1.00 31.66 N ATOM 881 CA ARG A 57 9.807 18.062 -6.226 1.00 35.26 C ATOM 882 C ARG A 57 9.108 19.031 -7.154 1.00 36.57 C ATOM 883 O ARG A 57 8.177 19.717 -6.751 1.00 37.09 O ATOM 884 CB ARG A 57 8.873 16.888 -6.003 1.00 35.76 C ATOM 885 CG ARG A 57 8.780 15.976 -7.273 1.00 41.20 C ATOM 886 CD ARG A 57 9.454 14.616 -7.099 1.00 45.03 C ATOM 887 NE ARG A 57 10.001 14.055 -8.334 1.00 48.92 N ATOM 888 CZ ARG A 57 9.813 12.786 -8.731 1.00 51.02 C ATOM 889 NH1 ARG A 57 10.377 12.344 -9.862 1.00 49.46 N ATOM 890 NH2 ARG A 57 9.073 11.955 -7.986 1.00 49.87 N ATOM 891 HA ARG A 57 10.742 17.676 -6.633 1.00 0.00 H ATOM 892 HB2 ARG A 57 9.244 16.294 -5.167 1.00 0.00 H ATOM 893 HB3 ARG A 57 7.879 17.267 -5.765 1.00 0.00 H ATOM 894 HG2 ARG A 57 7.727 15.812 -7.504 1.00 0.00 H ATOM 895 HG3 ARG A 57 9.257 16.494 -8.105 1.00 0.00 H ATOM 896 HD2 ARG A 57 8.717 13.917 -6.703 1.00 0.00 H ATOM 897 HD3 ARG A 57 10.269 14.727 -6.384 1.00 0.00 H ATOM 898 HE ARG A 57 10.571 14.677 -8.942 1.00 0.00 H ATOM 899 HH12 ARG A 57 10.230 11.361 -10.167 1.00 0.00 H ATOM 900 HH11 ARG A 57 10.963 12.984 -10.436 1.00 0.00 H ATOM 901 HH22 ARG A 57 8.927 10.972 -8.293 1.00 0.00 H ATOM 902 HH21 ARG A 57 8.644 12.293 -7.101 1.00 0.00 H ATOM 903 H ARG A 57 9.443 18.736 -4.202 1.00 0.00 H ATOM 904 N GLU A 58 9.526 19.074 -8.412 1.00 38.01 N ATOM 905 CA GLU A 58 8.938 20.038 -9.324 1.00 39.58 C ATOM 906 C GLU A 58 8.047 19.439 -10.406 1.00 40.67 C ATOM 907 O GLU A 58 7.955 18.213 -10.545 1.00 39.59 O ATOM 908 CB GLU A 58 10.060 20.829 -9.991 1.00 40.31 C ATOM 909 CG GLU A 58 10.945 21.546 -8.997 1.00 41.57 C ATOM 910 CD GLU A 58 10.627 23.011 -8.916 1.00 42.46 C ATOM 911 OE1 GLU A 58 9.837 23.360 -8.006 1.00 40.45 O ATOM 912 OE2 GLU A 58 11.195 23.804 -9.753 1.00 42.15 O ATOM 913 HA GLU A 58 8.288 20.668 -8.717 1.00 0.00 H ATOM 914 HB2 GLU A 58 10.674 20.140 -10.571 1.00 0.00 H ATOM 915 HB3 GLU A 58 9.616 21.568 -10.658 1.00 0.00 H ATOM 916 HG2 GLU A 58 10.803 21.100 -8.013 1.00 0.00 H ATOM 917 HG3 GLU A 58 11.985 21.428 -9.302 1.00 0.00 H ATOM 918 H GLU A 58 10.268 18.424 -8.742 1.00 0.00 H ATOM 919 N LYS A 59 7.438 20.343 -11.190 1.00 42.20 N ATOM 920 CA LYS A 59 6.540 20.019 -12.321 1.00 43.28 C ATOM 921 C LYS A 59 6.742 18.654 -12.994 1.00 43.21 C ATOM 922 O LYS A 59 5.853 17.795 -12.927 1.00 43.68 O ATOM 923 CB LYS A 59 6.652 21.104 -13.399 1.00 43.76 C ATOM 924 CG LYS A 59 6.073 22.426 -12.978 1.00 44.95 C ATOM 925 CD LYS A 59 6.487 23.562 -13.905 1.00 45.50 C ATOM 926 CE LYS A 59 5.481 24.695 -13.749 1.00 45.36 C ATOM 927 NZ LYS A 59 4.946 25.199 -15.060 1.00 46.58 N ATOM 928 HA LYS A 59 5.552 19.974 -11.862 1.00 0.00 H ATOM 929 HB2 LYS A 59 7.706 21.248 -13.636 1.00 0.00 H ATOM 930 HB3 LYS A 59 6.124 20.763 -14.289 1.00 0.00 H ATOM 931 HG2 LYS A 59 4.986 22.349 -12.981 1.00 0.00 H ATOM 932 HG3 LYS A 59 6.417 22.654 -11.969 1.00 0.00 H ATOM 933 HD2 LYS A 59 7.483 23.913 -13.636 1.00 0.00 H ATOM 934 HD3 LYS A 59 6.492 23.213 -14.937 1.00 0.00 H ATOM 935 HE2 LYS A 59 5.968 25.522 -13.233 1.00 0.00 H ATOM 936 HE3 LYS A 59 4.645 24.336 -13.149 1.00 0.00 H ATOM 937 HZ1 LYS A 59 5.732 25.555 -15.640 1.00 0.00 H ATOM 938 HZ2 LYS A 59 4.469 24.422 -15.560 1.00 0.00 H ATOM 939 HZ3 LYS A 59 4.268 25.968 -14.884 1.00 0.00 H ATOM 940 H LYS A 59 7.611 21.348 -10.987 1.00 0.00 H ATOM 941 N HIS A 60 7.892 18.478 -13.649 1.00 43.27 N ATOM 942 CA HIS A 60 8.221 17.245 -14.395 1.00 42.82 C ATOM 943 C HIS A 60 9.003 16.191 -13.582 1.00 40.97 C ATOM 944 O HIS A 60 9.842 15.483 -14.137 1.00 41.47 O ATOM 945 CB HIS A 60 9.084 17.588 -15.637 1.00 44.12 C ATOM 946 CG HIS A 60 8.346 18.314 -16.731 1.00 47.97 C ATOM 947 ND1 HIS A 60 8.393 19.685 -16.886 1.00 51.36 N ATOM 948 CD2 HIS A 60 7.580 17.851 -17.750 1.00 51.33 C ATOM 949 CE1 HIS A 60 7.656 20.038 -17.926 1.00 52.62 C ATOM 950 NE2 HIS A 60 7.145 18.944 -18.465 1.00 52.46 N ATOM 951 HA HIS A 60 7.254 16.817 -14.660 1.00 0.00 H ATOM 952 HB2 HIS A 60 9.914 18.215 -15.312 1.00 0.00 H ATOM 953 HB3 HIS A 60 9.473 16.657 -16.049 1.00 0.00 H ATOM 954 HD2 HIS A 60 7.351 16.807 -17.963 1.00 0.00 H ATOM 955 HE1 HIS A 60 7.497 21.057 -18.279 1.00 0.00 H ATOM 956 H HIS A 60 8.592 19.247 -13.634 1.00 0.00 H ATOM 957 N GLY A 61 8.784 16.085 -12.277 1.00 38.44 N ATOM 958 CA GLY A 61 9.558 15.112 -11.512 1.00 33.99 C ATOM 959 C GLY A 61 11.008 15.474 -11.209 1.00 31.25 C ATOM 960 O GLY A 61 11.815 14.612 -10.881 1.00 29.97 O ATOM 961 HA3 GLY A 61 9.561 14.178 -12.073 1.00 0.00 H ATOM 962 HA2 GLY A 61 9.049 14.961 -10.560 1.00 0.00 H ATOM 963 H GLY A 61 8.074 16.684 -11.808 1.00 0.00 H ATOM 964 N TYR A 62 11.369 16.736 -11.336 1.00 29.32 N ATOM 965 CA TYR A 62 12.730 17.148 -10.955 1.00 28.84 C ATOM 966 C TYR A 62 12.801 17.313 -9.425 1.00 27.10 C ATOM 967 O TYR A 62 11.775 17.519 -8.783 1.00 25.39 O ATOM 968 CB TYR A 62 13.094 18.502 -11.599 1.00 29.10 C ATOM 969 CG TYR A 62 13.390 18.414 -13.088 1.00 32.75 C ATOM 970 CD1 TYR A 62 12.509 18.950 -14.018 1.00 35.55 C ATOM 971 CD2 TYR A 62 14.542 17.778 -13.562 1.00 34.10 C ATOM 972 CE1 TYR A 62 12.754 18.863 -15.379 1.00 37.37 C ATOM 973 CE2 TYR A 62 14.801 17.693 -14.918 1.00 38.62 C ATOM 974 CZ TYR A 62 13.894 18.245 -15.828 1.00 40.50 C ATOM 975 OH TYR A 62 14.125 18.184 -17.189 1.00 43.02 O ATOM 976 HA TYR A 62 13.427 16.384 -11.299 1.00 0.00 H ATOM 977 HB3 TYR A 62 13.977 18.896 -11.096 1.00 0.00 H ATOM 978 HB2 TYR A 62 12.259 19.187 -11.454 1.00 0.00 H ATOM 979 HD2 TYR A 62 15.246 17.343 -12.852 1.00 0.00 H ATOM 980 HE2 TYR A 62 15.705 17.200 -15.275 1.00 0.00 H ATOM 981 HE1 TYR A 62 12.044 19.284 -16.091 1.00 0.00 H ATOM 982 HD1 TYR A 62 11.605 19.450 -13.670 1.00 0.00 H ATOM 983 HH TYR A 62 13.380 18.624 -17.669 1.00 0.00 H ATOM 984 H TYR A 62 10.695 17.437 -11.704 1.00 0.00 H ATOM 985 N TYR A 63 14.019 17.246 -8.869 1.00 26.65 N ATOM 986 CA TYR A 63 14.292 17.524 -7.456 1.00 25.29 C ATOM 987 C TYR A 63 15.122 18.792 -7.351 1.00 24.55 C ATOM 988 O TYR A 63 16.232 18.875 -7.877 1.00 23.60 O ATOM 989 CB TYR A 63 15.039 16.345 -6.810 1.00 24.32 C ATOM 990 CG TYR A 63 14.182 15.082 -6.739 1.00 26.13 C ATOM 991 CD1 TYR A 63 14.081 14.173 -7.818 1.00 26.85 C ATOM 992 CD2 TYR A 63 13.475 14.813 -5.617 1.00 23.13 C ATOM 993 CE1 TYR A 63 13.289 13.034 -7.704 1.00 26.96 C ATOM 994 CE2 TYR A 63 12.725 13.739 -5.498 1.00 25.21 C ATOM 995 CZ TYR A 63 12.614 12.838 -6.513 1.00 28.12 C ATOM 996 OH TYR A 63 11.767 11.783 -6.271 1.00 29.55 O ATOM 997 HA TYR A 63 13.349 17.660 -6.927 1.00 0.00 H ATOM 998 HB3 TYR A 63 15.332 16.627 -5.799 1.00 0.00 H ATOM 999 HB2 TYR A 63 15.931 16.131 -7.398 1.00 0.00 H ATOM 1000 HD2 TYR A 63 13.529 15.511 -4.782 1.00 0.00 H ATOM 1001 HE2 TYR A 63 12.182 13.567 -4.569 1.00 0.00 H ATOM 1002 HE1 TYR A 63 13.204 12.322 -8.525 1.00 0.00 H ATOM 1003 HD1 TYR A 63 14.626 14.365 -8.742 1.00 0.00 H ATOM 1004 HH TYR A 63 11.752 11.186 -7.060 1.00 0.00 H ATOM 1005 H TYR A 63 14.819 16.980 -9.478 1.00 0.00 H ATOM 1006 N ARG A 64 14.641 19.743 -6.561 1.00 23.51 N ATOM 1007 CA ARG A 64 15.230 21.060 -6.583 1.00 22.27 C ATOM 1008 C ARG A 64 15.610 21.357 -5.170 1.00 21.74 C ATOM 1009 O ARG A 64 14.732 21.534 -4.294 1.00 20.75 O ATOM 1010 CB ARG A 64 14.210 22.090 -6.989 1.00 21.77 C ATOM 1011 CG ARG A 64 14.770 23.539 -6.784 1.00 23.26 C ATOM 1012 CD ARG A 64 13.868 24.622 -7.343 1.00 23.89 C ATOM 1013 NE ARG A 64 13.118 25.309 -6.308 1.00 33.77 N ATOM 1014 CZ ARG A 64 11.874 25.044 -6.009 1.00 35.07 C ATOM 1015 NH1 ARG A 64 11.256 25.721 -5.060 1.00 37.71 N ATOM 1016 NH2 ARG A 64 11.242 24.096 -6.674 1.00 39.89 N ATOM 1017 HA ARG A 64 16.067 21.090 -7.280 1.00 0.00 H ATOM 1018 HB2 ARG A 64 13.958 21.949 -8.040 1.00 0.00 H ATOM 1019 HB3 ARG A 64 13.313 21.964 -6.382 1.00 0.00 H ATOM 1020 HG2 ARG A 64 14.896 23.712 -5.715 1.00 0.00 H ATOM 1021 HG3 ARG A 64 15.739 23.608 -7.278 1.00 0.00 H ATOM 1022 HD2 ARG A 64 13.165 24.166 -8.041 1.00 0.00 H ATOM 1023 HD3 ARG A 64 14.482 25.351 -7.872 1.00 0.00 H ATOM 1024 HE ARG A 64 13.600 26.058 -5.771 1.00 0.00 H ATOM 1025 HH12 ARG A 64 10.266 25.505 -4.827 1.00 0.00 H ATOM 1026 HH11 ARG A 64 11.759 26.471 -4.544 1.00 0.00 H ATOM 1027 HH22 ARG A 64 10.252 23.874 -6.447 1.00 0.00 H ATOM 1028 HH21 ARG A 64 11.734 23.571 -7.425 1.00 0.00 H ATOM 1029 H ARG A 64 13.842 19.540 -5.928 1.00 0.00 H ATOM 1030 N ILE A 65 16.904 21.408 -4.935 1.00 19.83 N ATOM 1031 CA ILE A 65 17.339 21.576 -3.551 1.00 19.95 C ATOM 1032 C ILE A 65 17.327 23.073 -3.230 1.00 18.81 C ATOM 1033 O ILE A 65 17.601 23.889 -4.074 1.00 19.21 O ATOM 1034 CB ILE A 65 18.731 20.955 -3.376 1.00 18.14 C ATOM 1035 CG1 ILE A 65 19.131 20.993 -1.905 1.00 16.24 C ATOM 1036 CG2 ILE A 65 19.754 21.714 -4.248 1.00 19.17 C ATOM 1037 CD1 ILE A 65 20.375 20.175 -1.670 1.00 16.82 C ATOM 1038 HA ILE A 65 16.670 21.067 -2.857 1.00 0.00 H ATOM 1039 HB ILE A 65 18.711 19.914 -3.699 1.00 0.00 H ATOM 1040 HG12 ILE A 65 19.321 22.026 -1.612 1.00 0.00 H ATOM 1041 HG13 ILE A 65 18.318 20.589 -1.302 1.00 0.00 H ATOM 1042 HD11 ILE A 65 20.188 19.141 -1.958 1.00 0.00 H ATOM 1043 HD12 ILE A 65 21.192 20.578 -2.268 1.00 0.00 H ATOM 1044 HD13 ILE A 65 20.642 20.217 -0.614 1.00 0.00 H ATOM 1045 HG21 ILE A 65 19.457 21.647 -5.295 1.00 0.00 H ATOM 1046 HG22 ILE A 65 19.784 22.760 -3.943 1.00 0.00 H ATOM 1047 HG23 ILE A 65 20.740 21.268 -4.119 1.00 0.00 H ATOM 1048 H ILE A 65 17.594 21.331 -5.709 1.00 0.00 H ATOM 1049 N GLU A 66 16.964 23.440 -2.017 1.00 19.74 N ATOM 1050 CA GLU A 66 16.861 24.879 -1.723 1.00 19.64 C ATOM 1051 C GLU A 66 18.193 25.586 -1.718 1.00 18.03 C ATOM 1052 O GLU A 66 19.057 25.353 -0.876 1.00 18.87 O ATOM 1053 CB GLU A 66 16.111 25.123 -0.407 1.00 19.19 C ATOM 1054 CG GLU A 66 15.576 26.527 -0.205 1.00 24.93 C ATOM 1055 CD GLU A 66 14.727 26.613 1.053 1.00 27.91 C ATOM 1056 OE1 GLU A 66 13.940 27.572 1.191 1.00 36.62 O ATOM 1057 OE2 GLU A 66 14.877 25.714 1.910 1.00 26.47 O ATOM 1058 HA GLU A 66 16.286 25.312 -2.542 1.00 0.00 H ATOM 1059 HB2 GLU A 66 15.267 24.434 -0.370 1.00 0.00 H ATOM 1060 HB3 GLU A 66 16.794 24.903 0.414 1.00 0.00 H ATOM 1061 HG2 GLU A 66 16.414 27.219 -0.117 1.00 0.00 H ATOM 1062 HG3 GLU A 66 14.967 26.804 -1.066 1.00 0.00 H ATOM 1063 H GLU A 66 16.756 22.731 -1.286 1.00 0.00 H ATOM 1064 N THR A 67 18.378 26.447 -2.682 1.00 17.13 N ATOM 1065 CA THR A 67 19.589 27.240 -2.757 1.00 16.15 C ATOM 1066 C THR A 67 19.323 28.619 -2.254 1.00 16.58 C ATOM 1067 O THR A 67 18.204 29.048 -2.259 1.00 14.69 O ATOM 1068 CB THR A 67 19.946 27.483 -4.197 1.00 15.81 C ATOM 1069 OG1 THR A 67 18.753 27.774 -4.892 1.00 15.67 O ATOM 1070 CG2 THR A 67 20.425 26.222 -4.814 1.00 13.28 C ATOM 1071 HA THR A 67 20.356 26.707 -2.195 1.00 0.00 H ATOM 1072 HB THR A 67 20.693 28.275 -4.246 1.00 0.00 H ATOM 1073 HG1 THR A 67 18.333 28.580 -4.500 1.00 0.00 H ATOM 1074 HG23 THR A 67 21.355 25.915 -4.335 1.00 0.00 H ATOM 1075 HG21 THR A 67 19.672 25.445 -4.681 1.00 0.00 H ATOM 1076 HG22 THR A 67 20.599 26.383 -5.878 1.00 0.00 H ATOM 1077 H THR A 67 17.644 26.566 -3.409 1.00 0.00 H ATOM 1078 N ASP A 68 20.371 29.324 -1.833 1.00 18.60 N ATOM 1079 CA ASP A 68 20.141 30.700 -1.415 1.00 20.35 C ATOM 1080 C ASP A 68 19.868 31.670 -2.561 1.00 20.95 C ATOM 1081 O ASP A 68 19.990 31.308 -3.751 1.00 20.14 O ATOM 1082 CB ASP A 68 21.212 31.216 -0.438 1.00 21.64 C ATOM 1083 CG ASP A 68 22.547 31.508 -1.088 1.00 19.49 C ATOM 1084 OD1 ASP A 68 22.578 31.831 -2.267 1.00 24.91 O ATOM 1085 OD2 ASP A 68 23.635 31.475 -0.483 1.00 25.82 O ATOM 1086 HA ASP A 68 19.206 30.664 -0.857 1.00 0.00 H ATOM 1087 HB2 ASP A 68 20.845 32.135 0.020 1.00 0.00 H ATOM 1088 HB3 ASP A 68 21.364 30.462 0.334 1.00 0.00 H ATOM 1089 H ASP A 68 21.323 28.906 -1.804 1.00 0.00 H ATOM 1090 N ALA A 69 19.488 32.899 -2.218 1.00 22.53 N ATOM 1091 CA ALA A 69 19.139 33.918 -3.212 1.00 22.23 C ATOM 1092 C ALA A 69 20.268 34.358 -4.150 1.00 21.88 C ATOM 1093 O ALA A 69 19.998 35.067 -5.129 1.00 23.31 O ATOM 1094 CB ALA A 69 18.518 35.154 -2.525 1.00 22.11 C ATOM 1095 HA ALA A 69 18.415 33.422 -3.858 1.00 0.00 H ATOM 1096 HB1 ALA A 69 17.616 34.856 -1.991 1.00 0.00 H ATOM 1097 HB2 ALA A 69 19.236 35.576 -1.822 1.00 0.00 H ATOM 1098 HB3 ALA A 69 18.266 35.899 -3.280 1.00 0.00 H ATOM 1099 H ALA A 69 19.437 33.145 -1.209 1.00 0.00 H ATOM 1100 N HIS A 70 21.510 33.964 -3.876 1.00 21.46 N ATOM 1101 CA HIS A 70 22.644 34.326 -4.748 1.00 21.89 C ATOM 1102 C HIS A 70 23.309 33.104 -5.389 1.00 23.27 C ATOM 1103 O HIS A 70 24.489 33.141 -5.728 1.00 23.23 O ATOM 1104 CB HIS A 70 23.702 35.193 -4.022 1.00 22.62 C ATOM 1105 CG HIS A 70 23.198 36.562 -3.667 1.00 21.16 C ATOM 1106 ND1 HIS A 70 22.634 36.853 -2.437 1.00 21.11 N ATOM 1107 CD2 HIS A 70 23.100 37.690 -4.404 1.00 20.21 C ATOM 1108 CE1 HIS A 70 22.198 38.104 -2.442 1.00 22.16 C ATOM 1109 NE2 HIS A 70 22.479 38.638 -3.623 1.00 23.79 N ATOM 1110 HA HIS A 70 22.210 34.928 -5.546 1.00 0.00 H ATOM 1111 HB2 HIS A 70 23.999 34.684 -3.105 1.00 0.00 H ATOM 1112 HB3 HIS A 70 24.569 35.300 -4.673 1.00 0.00 H ATOM 1113 HD2 HIS A 70 23.448 37.824 -5.428 1.00 0.00 H ATOM 1114 HE1 HIS A 70 21.695 38.608 -1.617 1.00 0.00 H ATOM 1115 H HIS A 70 21.685 33.388 -3.028 1.00 0.00 H ATOM 1116 N THR A 71 22.535 32.034 -5.541 1.00 22.82 N ATOM 1117 CA THR A 71 22.998 30.759 -6.068 1.00 23.39 C ATOM 1118 C THR A 71 21.996 30.316 -7.115 1.00 23.59 C ATOM 1119 O THR A 71 20.787 30.373 -6.876 1.00 23.97 O ATOM 1120 CB THR A 71 23.010 29.733 -4.846 1.00 24.26 C ATOM 1121 OG1 THR A 71 23.943 30.142 -3.819 1.00 19.38 O ATOM 1122 CG2 THR A 71 23.482 28.324 -5.248 1.00 20.01 C ATOM 1123 HA THR A 71 23.991 30.819 -6.514 1.00 0.00 H ATOM 1124 HB THR A 71 21.977 29.722 -4.499 1.00 0.00 H ATOM 1125 HG1 THR A 71 23.685 31.034 -3.477 1.00 0.00 H ATOM 1126 HG23 THR A 71 22.829 27.932 -6.027 1.00 0.00 H ATOM 1127 HG21 THR A 71 24.504 28.378 -5.622 1.00 0.00 H ATOM 1128 HG22 THR A 71 23.446 27.668 -4.378 1.00 0.00 H ATOM 1129 H THR A 71 21.535 32.113 -5.266 1.00 0.00 H ATOM 1130 N PRO A 72 22.489 29.892 -8.283 1.00 25.62 N ATOM 1131 CA PRO A 72 21.623 29.385 -9.354 1.00 24.99 C ATOM 1132 C PRO A 72 20.680 28.276 -8.887 1.00 25.81 C ATOM 1133 O PRO A 72 21.052 27.415 -8.033 1.00 24.17 O ATOM 1134 CB PRO A 72 22.618 28.788 -10.353 1.00 25.28 C ATOM 1135 CG PRO A 72 23.856 29.616 -10.221 1.00 25.48 C ATOM 1136 CD PRO A 72 23.917 29.845 -8.648 1.00 25.41 C ATOM 1137 HA PRO A 72 20.983 30.175 -9.747 1.00 0.00 H ATOM 1138 HD3 PRO A 72 24.426 29.021 -8.148 1.00 0.00 H ATOM 1139 HD2 PRO A 72 24.418 30.782 -8.404 1.00 0.00 H ATOM 1140 HG3 PRO A 72 23.763 30.560 -10.758 1.00 0.00 H ATOM 1141 HG2 PRO A 72 24.734 29.080 -10.580 1.00 0.00 H ATOM 1142 HB2 PRO A 72 22.827 27.747 -10.108 1.00 0.00 H ATOM 1143 HB3 PRO A 72 22.224 28.849 -11.367 1.00 0.00 H ATOM 1144 N ARG A 73 19.462 28.308 -9.434 1.00 26.59 N ATOM 1145 CA ARG A 73 18.524 27.226 -9.247 1.00 28.85 C ATOM 1146 C ARG A 73 19.237 25.896 -9.536 1.00 28.67 C ATOM 1147 O ARG A 73 19.825 25.716 -10.604 1.00 29.12 O ATOM 1148 CB ARG A 73 17.348 27.382 -10.177 1.00 29.51 C ATOM 1149 CG ARG A 73 16.269 26.355 -9.950 1.00 33.15 C ATOM 1150 CD ARG A 73 14.965 26.702 -10.648 1.00 42.58 C ATOM 1151 NE ARG A 73 14.175 27.594 -9.819 1.00 46.55 N ATOM 1152 CZ ARG A 73 12.910 27.379 -9.485 1.00 47.30 C ATOM 1153 NH1 ARG A 73 12.262 26.307 -9.919 1.00 49.67 N ATOM 1154 NH2 ARG A 73 12.294 28.232 -8.694 1.00 46.34 N ATOM 1155 HA ARG A 73 18.158 27.240 -8.220 1.00 0.00 H ATOM 1156 HB2 ARG A 73 16.919 28.373 -10.030 1.00 0.00 H ATOM 1157 HB3 ARG A 73 17.703 27.290 -11.203 1.00 0.00 H ATOM 1158 HG2 ARG A 73 16.619 25.393 -10.325 1.00 0.00 H ATOM 1159 HG3 ARG A 73 16.081 26.279 -8.879 1.00 0.00 H ATOM 1160 HD2 ARG A 73 14.401 25.788 -10.833 1.00 0.00 H ATOM 1161 HD3 ARG A 73 15.183 27.191 -11.597 1.00 0.00 H ATOM 1162 HE ARG A 73 14.631 28.458 -9.464 1.00 0.00 H ATOM 1163 HH12 ARG A 73 11.270 26.154 -9.647 1.00 0.00 H ATOM 1164 HH11 ARG A 73 12.746 25.619 -10.531 1.00 0.00 H ATOM 1165 HH22 ARG A 73 11.302 28.071 -8.427 1.00 0.00 H ATOM 1166 HH21 ARG A 73 12.799 29.067 -8.336 1.00 0.00 H ATOM 1167 H ARG A 73 19.183 29.130 -10.007 1.00 0.00 H ATOM 1168 N THR A 74 19.278 24.982 -8.576 1.00 29.74 N ATOM 1169 CA THR A 74 19.979 23.717 -8.867 1.00 29.12 C ATOM 1170 C THR A 74 19.058 22.507 -8.696 1.00 29.42 C ATOM 1171 O THR A 74 18.553 22.224 -7.600 1.00 28.69 O ATOM 1172 CB THR A 74 21.378 23.595 -8.212 1.00 29.89 C ATOM 1173 OG1 THR A 74 21.324 22.896 -6.968 1.00 34.47 O ATOM 1174 CG2 THR A 74 21.921 24.933 -7.851 1.00 25.80 C ATOM 1175 HA THR A 74 20.231 23.734 -9.927 1.00 0.00 H ATOM 1176 HB THR A 74 21.991 23.075 -8.948 1.00 0.00 H ATOM 1177 HG1 THR A 74 20.971 21.984 -7.119 1.00 0.00 H ATOM 1178 HG23 THR A 74 21.999 25.546 -8.749 1.00 0.00 H ATOM 1179 HG21 THR A 74 21.252 25.415 -7.138 1.00 0.00 H ATOM 1180 HG22 THR A 74 22.908 24.815 -7.403 1.00 0.00 H ATOM 1181 H THR A 74 18.832 25.151 -7.652 1.00 0.00 H ATOM 1182 N ILE A 75 18.822 21.846 -9.826 1.00 28.04 N ATOM 1183 CA ILE A 75 17.871 20.754 -9.930 1.00 27.88 C ATOM 1184 C ILE A 75 18.513 19.471 -10.433 1.00 28.76 C ATOM 1185 O ILE A 75 19.521 19.486 -11.128 1.00 28.98 O ATOM 1186 CB ILE A 75 16.729 21.140 -10.864 1.00 27.34 C ATOM 1187 CG1 ILE A 75 17.257 21.304 -12.292 1.00 26.01 C ATOM 1188 CG2 ILE A 75 16.057 22.469 -10.406 1.00 26.31 C ATOM 1189 CD1 ILE A 75 16.226 21.669 -13.251 1.00 24.18 C ATOM 1190 HA ILE A 75 17.492 20.568 -8.925 1.00 0.00 H ATOM 1191 HB ILE A 75 15.984 20.345 -10.835 1.00 0.00 H ATOM 1192 HG12 ILE A 75 18.020 22.083 -12.291 1.00 0.00 H ATOM 1193 HG13 ILE A 75 17.703 20.360 -12.606 1.00 0.00 H ATOM 1194 HD11 ILE A 75 15.460 20.894 -13.272 1.00 0.00 H ATOM 1195 HD12 ILE A 75 15.777 22.618 -12.956 1.00 0.00 H ATOM 1196 HD13 ILE A 75 16.671 21.768 -14.241 1.00 0.00 H ATOM 1197 HG21 ILE A 75 15.659 22.345 -9.399 1.00 0.00 H ATOM 1198 HG22 ILE A 75 16.797 23.269 -10.409 1.00 0.00 H ATOM 1199 HG23 ILE A 75 15.246 22.719 -11.090 1.00 0.00 H ATOM 1200 H ILE A 75 19.346 22.126 -10.679 1.00 0.00 H ATOM 1201 N PHE A 76 17.912 18.355 -10.052 1.00 28.84 N ATOM 1202 CA PHE A 76 18.409 17.048 -10.380 1.00 29.92 C ATOM 1203 C PHE A 76 17.261 16.220 -10.940 1.00 31.24 C ATOM 1204 O PHE A 76 16.139 16.325 -10.465 1.00 31.73 O ATOM 1205 CB PHE A 76 18.998 16.398 -9.112 1.00 28.65 C ATOM 1206 CG PHE A 76 20.099 17.207 -8.482 1.00 29.61 C ATOM 1207 CD1 PHE A 76 19.807 18.160 -7.489 1.00 28.12 C ATOM 1208 CD2 PHE A 76 21.421 17.039 -8.870 1.00 26.23 C ATOM 1209 CE1 PHE A 76 20.771 18.894 -6.917 1.00 26.45 C ATOM 1210 CE2 PHE A 76 22.427 17.803 -8.281 1.00 27.45 C ATOM 1211 CZ PHE A 76 22.101 18.736 -7.299 1.00 26.73 C ATOM 1212 HA PHE A 76 19.198 17.109 -11.130 1.00 0.00 H ATOM 1213 HB2 PHE A 76 18.198 16.276 -8.382 1.00 0.00 H ATOM 1214 HB3 PHE A 76 19.397 15.419 -9.379 1.00 0.00 H ATOM 1215 HD2 PHE A 76 21.673 16.307 -9.638 1.00 0.00 H ATOM 1216 HE2 PHE A 76 23.465 17.671 -8.587 1.00 0.00 H ATOM 1217 HZ PHE A 76 22.881 19.338 -6.833 1.00 0.00 H ATOM 1218 HE1 PHE A 76 20.512 19.620 -6.147 1.00 0.00 H ATOM 1219 HD1 PHE A 76 18.772 18.305 -7.178 1.00 0.00 H ATOM 1220 H PHE A 76 17.040 18.428 -9.490 1.00 0.00 H ATOM 1221 N PRO A 77 17.539 15.379 -11.929 1.00 32.89 N ATOM 1222 CA PRO A 77 16.482 14.574 -12.571 1.00 33.77 C ATOM 1223 C PRO A 77 16.000 13.417 -11.692 1.00 34.01 C ATOM 1224 O PRO A 77 14.904 12.855 -11.929 1.00 34.46 O ATOM 1225 CB PRO A 77 17.133 14.057 -13.870 1.00 33.76 C ATOM 1226 CG PRO A 77 18.522 14.738 -13.946 1.00 34.74 C ATOM 1227 CD PRO A 77 18.874 15.137 -12.505 1.00 33.34 C ATOM 1228 HA PRO A 77 15.586 15.167 -12.753 1.00 0.00 H ATOM 1229 HD3 PRO A 77 19.392 14.332 -11.984 1.00 0.00 H ATOM 1230 HD2 PRO A 77 19.487 16.038 -12.480 1.00 0.00 H ATOM 1231 HG3 PRO A 77 18.478 15.621 -14.584 1.00 0.00 H ATOM 1232 HG2 PRO A 77 19.264 14.044 -14.340 1.00 0.00 H ATOM 1233 HB2 PRO A 77 17.243 12.973 -13.835 1.00 0.00 H ATOM 1234 HB3 PRO A 77 16.528 14.332 -14.734 1.00 0.00 H ATOM 1235 N ASN A 78 16.814 13.062 -10.714 1.00 32.88 N ATOM 1236 CA ASN A 78 16.437 12.094 -9.719 1.00 32.81 C ATOM 1237 C ASN A 78 17.200 12.351 -8.440 1.00 32.47 C ATOM 1238 O ASN A 78 18.092 13.198 -8.380 1.00 30.81 O ATOM 1239 CB ASN A 78 16.638 10.650 -10.178 1.00 34.46 C ATOM 1240 CG ASN A 78 18.038 10.372 -10.585 1.00 35.04 C ATOM 1241 OD1 ASN A 78 18.370 10.508 -11.760 1.00 37.46 O ATOM 1242 ND2 ASN A 78 18.869 9.954 -9.634 1.00 38.69 N ATOM 1243 HA ASN A 78 15.368 12.215 -9.546 1.00 0.00 H ATOM 1244 HB2 ASN A 78 16.373 9.982 -9.358 1.00 0.00 H ATOM 1245 HB3 ASN A 78 15.982 10.459 -11.027 1.00 0.00 H ATOM 1246 HD22 ASN A 78 18.532 9.857 -8.655 1.00 0.00 H ATOM 1247 HD21 ASN A 78 19.855 9.724 -9.870 1.00 0.00 H ATOM 1248 H ASN A 78 17.758 13.496 -10.662 1.00 0.00 H ATOM 1249 N LEU A 79 16.864 11.586 -7.420 1.00 32.26 N ATOM 1250 CA LEU A 79 17.414 11.802 -6.107 1.00 32.46 C ATOM 1251 C LEU A 79 18.826 11.246 -5.823 1.00 33.29 C ATOM 1252 O LEU A 79 19.587 11.824 -5.046 1.00 32.73 O ATOM 1253 CB LEU A 79 16.386 11.285 -5.116 1.00 32.46 C ATOM 1254 CG LEU A 79 16.220 11.931 -3.763 1.00 32.88 C ATOM 1255 CD1 LEU A 79 16.090 13.413 -3.996 1.00 26.42 C ATOM 1256 CD2 LEU A 79 14.963 11.242 -3.094 1.00 26.46 C ATOM 1257 HA LEU A 79 17.596 12.873 -6.012 1.00 0.00 H ATOM 1258 HB2 LEU A 79 15.417 11.349 -5.612 1.00 0.00 H ATOM 1259 HB3 LEU A 79 16.630 10.239 -4.933 1.00 0.00 H ATOM 1260 HG LEU A 79 17.059 11.800 -3.079 1.00 0.00 H ATOM 1261 HD21 LEU A 79 14.085 11.408 -3.718 1.00 0.00 H ATOM 1262 HD22 LEU A 79 15.145 10.172 -2.998 1.00 0.00 H ATOM 1263 HD23 LEU A 79 14.796 11.674 -2.107 1.00 0.00 H ATOM 1264 HD11 LEU A 79 16.988 13.782 -4.492 1.00 0.00 H ATOM 1265 HD12 LEU A 79 15.221 13.606 -4.625 1.00 0.00 H ATOM 1266 HD13 LEU A 79 15.968 13.921 -3.039 1.00 0.00 H ATOM 1267 H LEU A 79 16.187 10.810 -7.567 1.00 0.00 H ATOM 1268 N GLN A 80 19.177 10.102 -6.404 1.00 34.39 N ATOM 1269 CA GLN A 80 20.525 9.572 -6.204 1.00 34.41 C ATOM 1270 C GLN A 80 21.567 10.495 -6.836 1.00 34.15 C ATOM 1271 O GLN A 80 22.662 10.567 -6.360 1.00 33.99 O ATOM 1272 CB GLN A 80 20.673 8.149 -6.777 1.00 35.34 C ATOM 1273 CG GLN A 80 19.983 7.945 -8.148 1.00 36.65 C ATOM 1274 CD GLN A 80 18.632 7.253 -8.037 1.00 36.38 C ATOM 1275 OE1 GLN A 80 18.547 6.015 -7.993 1.00 39.41 O ATOM 1276 NE2 GLN A 80 17.577 8.042 -8.007 1.00 39.35 N ATOM 1277 HA GLN A 80 20.693 9.522 -5.128 1.00 0.00 H ATOM 1278 HB2 GLN A 80 21.735 7.935 -6.893 1.00 0.00 H ATOM 1279 HB3 GLN A 80 20.238 7.446 -6.066 1.00 0.00 H ATOM 1280 HG2 GLN A 80 19.837 8.920 -8.612 1.00 0.00 H ATOM 1281 HG3 GLN A 80 20.634 7.338 -8.778 1.00 0.00 H ATOM 1282 HE22 GLN A 80 17.698 9.074 -8.046 1.00 0.00 H ATOM 1283 HE21 GLN A 80 16.623 7.633 -7.944 1.00 0.00 H ATOM 1284 H GLN A 80 18.496 9.587 -6.998 1.00 0.00 H ATOM 1285 N GLU A 81 21.237 11.191 -7.918 1.00 34.74 N ATOM 1286 CA GLU A 81 22.204 12.129 -8.513 1.00 34.97 C ATOM 1287 C GLU A 81 22.355 13.420 -7.693 1.00 33.63 C ATOM 1288 O GLU A 81 23.295 14.166 -7.868 1.00 33.22 O ATOM 1289 CB GLU A 81 21.853 12.479 -9.941 1.00 35.16 C ATOM 1290 CG GLU A 81 22.294 11.387 -10.918 1.00 42.51 C ATOM 1291 CD GLU A 81 22.483 11.903 -12.330 1.00 46.48 C ATOM 1292 OE1 GLU A 81 22.511 13.140 -12.537 1.00 50.16 O ATOM 1293 OE2 GLU A 81 22.608 11.066 -13.241 1.00 51.16 O ATOM 1294 HA GLU A 81 23.159 11.604 -8.504 1.00 0.00 H ATOM 1295 HB2 GLU A 81 20.773 12.607 -10.018 1.00 0.00 H ATOM 1296 HB3 GLU A 81 22.348 13.413 -10.208 1.00 0.00 H ATOM 1297 HG2 GLU A 81 23.239 10.969 -10.570 1.00 0.00 H ATOM 1298 HG3 GLU A 81 21.535 10.605 -10.932 1.00 0.00 H ATOM 1299 H GLU A 81 20.296 11.074 -8.345 1.00 0.00 H ATOM 1300 N LEU A 82 21.389 13.695 -6.835 1.00 31.85 N ATOM 1301 CA LEU A 82 21.514 14.828 -5.958 1.00 29.92 C ATOM 1302 C LEU A 82 22.443 14.379 -4.847 1.00 30.24 C ATOM 1303 O LEU A 82 23.351 15.102 -4.441 1.00 30.82 O ATOM 1304 CB LEU A 82 20.148 15.218 -5.416 1.00 28.23 C ATOM 1305 CG LEU A 82 20.122 16.296 -4.334 1.00 25.69 C ATOM 1306 CD1 LEU A 82 18.763 16.948 -4.334 1.00 23.03 C ATOM 1307 CD2 LEU A 82 20.464 15.724 -2.959 1.00 19.91 C ATOM 1308 HA LEU A 82 21.910 15.707 -6.467 1.00 0.00 H ATOM 1309 HB2 LEU A 82 19.550 15.576 -6.254 1.00 0.00 H ATOM 1310 HB3 LEU A 82 19.689 14.321 -5.000 1.00 0.00 H ATOM 1311 HG LEU A 82 20.884 17.043 -4.555 1.00 0.00 H ATOM 1312 HD21 LEU A 82 19.738 14.955 -2.696 1.00 0.00 H ATOM 1313 HD22 LEU A 82 21.463 15.288 -2.986 1.00 0.00 H ATOM 1314 HD23 LEU A 82 20.435 16.522 -2.217 1.00 0.00 H ATOM 1315 HD11 LEU A 82 18.577 17.397 -5.310 1.00 0.00 H ATOM 1316 HD12 LEU A 82 18.001 16.197 -4.127 1.00 0.00 H ATOM 1317 HD13 LEU A 82 18.732 17.720 -3.565 1.00 0.00 H ATOM 1318 H LEU A 82 20.541 13.094 -6.794 1.00 0.00 H ATOM 1319 N VAL A 83 22.259 13.160 -4.373 1.00 29.86 N ATOM 1320 CA VAL A 83 23.080 12.723 -3.261 1.00 30.74 C ATOM 1321 C VAL A 83 24.525 12.465 -3.700 1.00 30.81 C ATOM 1322 O VAL A 83 25.480 12.668 -2.946 1.00 30.55 O ATOM 1323 CB VAL A 83 22.435 11.530 -2.497 1.00 31.14 C ATOM 1324 CG1 VAL A 83 23.483 10.536 -2.055 1.00 29.68 C ATOM 1325 CG2 VAL A 83 21.629 12.066 -1.298 1.00 27.68 C ATOM 1326 HA VAL A 83 23.128 13.537 -2.538 1.00 0.00 H ATOM 1327 HB VAL A 83 21.758 11.002 -3.168 1.00 0.00 H ATOM 1328 HG11 VAL A 83 24.006 10.149 -2.929 1.00 0.00 H ATOM 1329 HG12 VAL A 83 24.195 11.030 -1.394 1.00 0.00 H ATOM 1330 HG13 VAL A 83 23.002 9.714 -1.524 1.00 0.00 H ATOM 1331 HG21 VAL A 83 22.295 12.611 -0.629 1.00 0.00 H ATOM 1332 HG22 VAL A 83 20.847 12.735 -1.657 1.00 0.00 H ATOM 1333 HG23 VAL A 83 21.177 11.231 -0.763 1.00 0.00 H ATOM 1334 H VAL A 83 21.543 12.529 -4.787 1.00 0.00 H ATOM 1335 N SER A 84 24.654 12.051 -4.945 1.00 30.59 N ATOM 1336 CA SER A 84 25.934 11.864 -5.566 1.00 31.23 C ATOM 1337 C SER A 84 26.702 13.180 -5.659 1.00 30.75 C ATOM 1338 O SER A 84 27.909 13.204 -5.548 1.00 31.30 O ATOM 1339 CB SER A 84 25.725 11.312 -6.969 1.00 30.78 C ATOM 1340 OG SER A 84 26.969 10.869 -7.450 1.00 35.09 O ATOM 1341 HA SER A 84 26.515 11.169 -4.959 1.00 0.00 H ATOM 1342 HB2 SER A 84 25.333 12.094 -7.620 1.00 0.00 H ATOM 1343 HB3 SER A 84 25.022 10.480 -6.939 1.00 0.00 H ATOM 1344 HG SER A 84 27.603 11.629 -7.472 1.00 0.00 H ATOM 1345 H SER A 84 23.796 11.852 -5.498 1.00 0.00 H ATOM 1346 N LYS A 85 26.005 14.291 -5.861 1.00 30.53 N ATOM 1347 CA LYS A 85 26.697 15.569 -5.952 1.00 30.32 C ATOM 1348 C LYS A 85 27.215 16.042 -4.598 1.00 29.36 C ATOM 1349 O LYS A 85 28.296 16.602 -4.462 1.00 29.17 O ATOM 1350 CB LYS A 85 25.755 16.635 -6.521 1.00 30.47 C ATOM 1351 CG LYS A 85 26.485 17.720 -7.208 1.00 31.76 C ATOM 1352 CD LYS A 85 25.767 19.074 -7.188 1.00 34.59 C ATOM 1353 CE LYS A 85 26.475 19.998 -8.164 1.00 34.63 C ATOM 1354 NZ LYS A 85 27.011 21.202 -7.504 1.00 34.63 N ATOM 1355 HA LYS A 85 27.552 15.423 -6.612 1.00 0.00 H ATOM 1356 HB2 LYS A 85 25.079 16.162 -7.233 1.00 0.00 H ATOM 1357 HB3 LYS A 85 25.177 17.065 -5.703 1.00 0.00 H ATOM 1358 HG2 LYS A 85 27.454 17.840 -6.724 1.00 0.00 H ATOM 1359 HG3 LYS A 85 26.633 17.427 -8.247 1.00 0.00 H ATOM 1360 HD2 LYS A 85 24.727 18.946 -7.488 1.00 0.00 H ATOM 1361 HD3 LYS A 85 25.804 19.498 -6.184 1.00 0.00 H ATOM 1362 HE2 LYS A 85 25.767 20.305 -8.933 1.00 0.00 H ATOM 1363 HE3 LYS A 85 27.299 19.455 -8.627 1.00 0.00 H ATOM 1364 HZ1 LYS A 85 26.231 21.732 -7.065 1.00 0.00 H ATOM 1365 HZ2 LYS A 85 27.694 20.920 -6.773 1.00 0.00 H ATOM 1366 HZ3 LYS A 85 27.485 21.801 -8.210 1.00 0.00 H ATOM 1367 H LYS A 85 24.970 14.249 -5.954 1.00 0.00 H ATOM 1368 N TYR A 86 26.412 15.853 -3.578 1.00 28.68 N ATOM 1369 CA TYR A 86 26.805 16.373 -2.308 1.00 28.61 C ATOM 1370 C TYR A 86 27.716 15.474 -1.497 1.00 27.99 C ATOM 1371 O TYR A 86 28.052 15.787 -0.365 1.00 27.82 O ATOM 1372 CB TYR A 86 25.584 16.882 -1.558 1.00 28.39 C ATOM 1373 CG TYR A 86 24.933 18.003 -2.347 1.00 29.76 C ATOM 1374 CD1 TYR A 86 23.717 17.803 -3.018 1.00 30.34 C ATOM 1375 CD2 TYR A 86 25.559 19.238 -2.467 1.00 28.59 C ATOM 1376 CE1 TYR A 86 23.128 18.820 -3.737 1.00 30.54 C ATOM 1377 CE2 TYR A 86 24.993 20.257 -3.194 1.00 26.72 C ATOM 1378 CZ TYR A 86 23.770 20.042 -3.822 1.00 28.18 C ATOM 1379 OH TYR A 86 23.201 21.040 -4.555 1.00 27.22 O ATOM 1380 HA TYR A 86 27.458 17.225 -2.498 1.00 0.00 H ATOM 1381 HB3 TYR A 86 25.888 17.255 -0.580 1.00 0.00 H ATOM 1382 HB2 TYR A 86 24.871 16.067 -1.429 1.00 0.00 H ATOM 1383 HD2 TYR A 86 26.518 19.401 -1.975 1.00 0.00 H ATOM 1384 HE2 TYR A 86 25.495 21.221 -3.278 1.00 0.00 H ATOM 1385 HE1 TYR A 86 22.169 18.664 -4.232 1.00 0.00 H ATOM 1386 HD1 TYR A 86 23.231 16.828 -2.970 1.00 0.00 H ATOM 1387 HH TYR A 86 22.341 20.723 -4.930 1.00 0.00 H ATOM 1388 H TYR A 86 25.515 15.339 -3.691 1.00 0.00 H ATOM 1389 N GLY A 87 28.160 14.377 -2.107 1.00 29.56 N ATOM 1390 CA GLY A 87 29.141 13.510 -1.468 1.00 29.43 C ATOM 1391 C GLY A 87 30.532 14.097 -1.667 1.00 30.47 C ATOM 1392 O GLY A 87 31.488 13.689 -0.987 1.00 30.26 O ATOM 1393 HA3 GLY A 87 29.097 12.517 -1.915 1.00 0.00 H ATOM 1394 HA2 GLY A 87 28.925 13.437 -0.402 1.00 0.00 H ATOM 1395 H GLY A 87 27.801 14.136 -3.053 1.00 0.00 H ATOM 1396 N LYS A 88 30.637 15.033 -2.628 1.00 30.79 N ATOM 1397 CA LYS A 88 31.873 15.733 -3.007 1.00 30.34 C ATOM 1398 C LYS A 88 31.956 17.028 -2.220 1.00 30.26 C ATOM 1399 O LYS A 88 30.959 17.758 -2.088 1.00 30.11 O ATOM 1400 CB LYS A 88 31.856 16.071 -4.515 1.00 31.19 C ATOM 1401 CG LYS A 88 31.975 14.872 -5.445 1.00 32.91 C ATOM 1402 CD LYS A 88 32.108 15.229 -6.976 1.00 35.84 C ATOM 1403 CE LYS A 88 30.734 15.548 -7.642 1.00 32.71 C ATOM 1404 NZ LYS A 88 30.327 16.965 -7.422 1.00 29.88 N ATOM 1405 HA LYS A 88 32.729 15.093 -2.793 1.00 0.00 H ATOM 1406 HB2 LYS A 88 30.918 16.580 -4.737 1.00 0.00 H ATOM 1407 HB3 LYS A 88 32.690 16.743 -4.721 1.00 0.00 H ATOM 1408 HG2 LYS A 88 32.857 14.302 -5.152 1.00 0.00 H ATOM 1409 HG3 LYS A 88 31.086 14.254 -5.317 1.00 0.00 H ATOM 1410 HD2 LYS A 88 32.755 16.101 -7.076 1.00 0.00 H ATOM 1411 HD3 LYS A 88 32.559 14.382 -7.494 1.00 0.00 H ATOM 1412 HE2 LYS A 88 29.975 14.892 -7.216 1.00 0.00 H ATOM 1413 HE3 LYS A 88 30.810 15.365 -8.714 1.00 0.00 H ATOM 1414 HZ1 LYS A 88 30.245 17.146 -6.401 1.00 0.00 H ATOM 1415 HZ2 LYS A 88 31.044 17.598 -7.832 1.00 0.00 H ATOM 1416 HZ3 LYS A 88 29.409 17.136 -7.880 1.00 0.00 H ATOM 1417 H LYS A 88 29.771 15.282 -3.146 1.00 0.00 H ATOM 1418 N PRO A 89 33.140 17.323 -1.706 1.00 29.42 N ATOM 1419 CA PRO A 89 33.389 18.495 -0.869 1.00 29.45 C ATOM 1420 C PRO A 89 33.211 19.835 -1.594 1.00 28.04 C ATOM 1421 O PRO A 89 33.252 19.878 -2.794 1.00 28.22 O ATOM 1422 CB PRO A 89 34.853 18.287 -0.455 1.00 29.70 C ATOM 1423 CG PRO A 89 35.385 17.529 -1.589 1.00 30.84 C ATOM 1424 CD PRO A 89 34.357 16.509 -1.890 1.00 30.06 C ATOM 1425 HA PRO A 89 32.680 18.563 -0.044 1.00 0.00 H ATOM 1426 HD3 PRO A 89 34.444 16.133 -2.909 1.00 0.00 H ATOM 1427 HD2 PRO A 89 34.397 15.674 -1.191 1.00 0.00 H ATOM 1428 HG3 PRO A 89 36.329 17.054 -1.322 1.00 0.00 H ATOM 1429 HG2 PRO A 89 35.539 18.183 -2.448 1.00 0.00 H ATOM 1430 HB2 PRO A 89 35.371 19.239 -0.337 1.00 0.00 H ATOM 1431 HB3 PRO A 89 34.926 17.718 0.472 1.00 0.00 H ATOM 1432 N GLY A 90 32.957 20.896 -0.855 1.00 27.90 N ATOM 1433 CA GLY A 90 32.777 22.223 -1.415 1.00 27.39 C ATOM 1434 C GLY A 90 31.687 22.473 -2.471 1.00 28.07 C ATOM 1435 O GLY A 90 31.910 23.259 -3.423 1.00 27.28 O ATOM 1436 HA3 GLY A 90 33.727 22.504 -1.871 1.00 0.00 H ATOM 1437 HA2 GLY A 90 32.565 22.891 -0.580 1.00 0.00 H ATOM 1438 H GLY A 90 32.882 20.777 0.175 1.00 0.00 H ATOM 1439 N GLN A 91 30.516 21.838 -2.300 1.00 27.08 N ATOM 1440 CA GLN A 91 29.394 21.986 -3.223 1.00 27.14 C ATOM 1441 C GLN A 91 28.287 22.942 -2.710 1.00 26.81 C ATOM 1442 O GLN A 91 27.218 23.068 -3.301 1.00 27.36 O ATOM 1443 CB GLN A 91 28.824 20.596 -3.586 1.00 28.26 C ATOM 1444 CG GLN A 91 29.885 19.652 -4.321 1.00 29.04 C ATOM 1445 CD GLN A 91 30.633 20.375 -5.424 1.00 32.52 C ATOM 1446 OE1 GLN A 91 30.031 20.726 -6.418 1.00 36.17 O ATOM 1447 NE2 GLN A 91 31.929 20.651 -5.228 1.00 31.64 N ATOM 1448 HA GLN A 91 29.783 22.461 -4.124 1.00 0.00 H ATOM 1449 HB2 GLN A 91 28.499 20.104 -2.669 1.00 0.00 H ATOM 1450 HB3 GLN A 91 27.967 20.734 -4.246 1.00 0.00 H ATOM 1451 HG2 GLN A 91 30.605 19.294 -3.585 1.00 0.00 H ATOM 1452 HG3 GLN A 91 29.357 18.802 -4.754 1.00 0.00 H ATOM 1453 HE22 GLN A 91 32.404 20.330 -4.360 1.00 0.00 H ATOM 1454 HE21 GLN A 91 32.461 21.187 -5.944 1.00 0.00 H ATOM 1455 H GLN A 91 30.403 21.214 -1.475 1.00 0.00 H ATOM 1456 N GLY A 92 28.530 23.621 -1.609 1.00 26.01 N ATOM 1457 CA GLY A 92 27.527 24.542 -1.099 1.00 25.49 C ATOM 1458 C GLY A 92 26.921 24.129 0.229 1.00 25.31 C ATOM 1459 O GLY A 92 26.090 24.851 0.790 1.00 23.93 O ATOM 1460 HA3 GLY A 92 26.725 24.615 -1.833 1.00 0.00 H ATOM 1461 HA2 GLY A 92 27.993 25.519 -0.973 1.00 0.00 H ATOM 1462 H GLY A 92 29.433 23.500 -1.107 1.00 0.00 H ATOM 1463 N LEU A 93 27.315 22.970 0.751 1.00 24.67 N ATOM 1464 CA LEU A 93 26.734 22.616 2.037 1.00 26.76 C ATOM 1465 C LEU A 93 27.736 22.881 3.137 1.00 28.05 C ATOM 1466 O LEU A 93 28.873 23.218 2.915 1.00 28.17 O ATOM 1467 CB LEU A 93 26.162 21.184 2.140 1.00 25.07 C ATOM 1468 CG LEU A 93 25.483 20.414 1.025 1.00 24.63 C ATOM 1469 CD1 LEU A 93 25.386 18.950 1.412 1.00 20.61 C ATOM 1470 CD2 LEU A 93 24.058 20.963 0.824 1.00 20.63 C ATOM 1471 HA LEU A 93 25.860 23.257 2.150 1.00 0.00 H ATOM 1472 HB2 LEU A 93 27.003 20.562 2.447 1.00 0.00 H ATOM 1473 HB3 LEU A 93 25.429 21.226 2.946 1.00 0.00 H ATOM 1474 HG LEU A 93 26.061 20.521 0.107 1.00 0.00 H ATOM 1475 HD21 LEU A 93 23.491 20.846 1.748 1.00 0.00 H ATOM 1476 HD22 LEU A 93 24.111 22.019 0.560 1.00 0.00 H ATOM 1477 HD23 LEU A 93 23.567 20.411 0.023 1.00 0.00 H ATOM 1478 HD11 LEU A 93 26.387 18.551 1.574 1.00 0.00 H ATOM 1479 HD12 LEU A 93 24.803 18.856 2.328 1.00 0.00 H ATOM 1480 HD13 LEU A 93 24.898 18.395 0.611 1.00 0.00 H ATOM 1481 H LEU A 93 27.999 22.353 0.268 1.00 0.00 H ATOM 1482 N VAL A 94 27.244 22.694 4.341 1.00 29.05 N ATOM 1483 CA VAL A 94 27.970 22.979 5.529 1.00 29.80 C ATOM 1484 C VAL A 94 29.097 21.923 5.654 1.00 29.83 C ATOM 1485 O VAL A 94 30.232 22.245 6.007 1.00 30.70 O ATOM 1486 CB VAL A 94 26.884 23.041 6.620 1.00 30.25 C ATOM 1487 CG1 VAL A 94 27.005 21.920 7.638 1.00 29.19 C ATOM 1488 CG2 VAL A 94 26.753 24.451 7.160 1.00 29.53 C ATOM 1489 HA VAL A 94 28.516 23.921 5.582 1.00 0.00 H ATOM 1490 HB VAL A 94 25.911 22.829 6.176 1.00 0.00 H ATOM 1491 HG11 VAL A 94 26.913 20.959 7.131 1.00 0.00 H ATOM 1492 HG12 VAL A 94 27.975 21.981 8.130 1.00 0.00 H ATOM 1493 HG13 VAL A 94 26.213 22.018 8.380 1.00 0.00 H ATOM 1494 HG21 VAL A 94 27.705 24.764 7.589 1.00 0.00 H ATOM 1495 HG22 VAL A 94 26.479 25.125 6.349 1.00 0.00 H ATOM 1496 HG23 VAL A 94 25.981 24.474 7.929 1.00 0.00 H ATOM 1497 H VAL A 94 26.278 22.320 4.429 1.00 0.00 H ATOM 1498 N VAL A 95 28.799 20.693 5.250 1.00 28.62 N ATOM 1499 CA VAL A 95 29.780 19.613 5.202 1.00 27.22 C ATOM 1500 C VAL A 95 29.294 18.663 4.130 1.00 28.23 C ATOM 1501 O VAL A 95 28.086 18.538 3.918 1.00 28.93 O ATOM 1502 CB VAL A 95 29.943 18.877 6.584 1.00 26.71 C ATOM 1503 CG1 VAL A 95 28.602 18.386 7.138 1.00 20.31 C ATOM 1504 CG2 VAL A 95 30.964 17.727 6.456 1.00 26.03 C ATOM 1505 HA VAL A 95 30.770 20.009 4.977 1.00 0.00 H ATOM 1506 HB VAL A 95 30.326 19.598 7.306 1.00 0.00 H ATOM 1507 HG11 VAL A 95 27.937 19.237 7.283 1.00 0.00 H ATOM 1508 HG12 VAL A 95 28.152 17.688 6.432 1.00 0.00 H ATOM 1509 HG13 VAL A 95 28.766 17.885 8.092 1.00 0.00 H ATOM 1510 HG21 VAL A 95 30.614 17.014 5.710 1.00 0.00 H ATOM 1511 HG22 VAL A 95 31.929 18.132 6.150 1.00 0.00 H ATOM 1512 HG23 VAL A 95 31.068 17.226 7.418 1.00 0.00 H ATOM 1513 H VAL A 95 27.823 20.490 4.955 1.00 0.00 H ATOM 1514 N HIS A 96 30.185 17.986 3.436 1.00 28.72 N ATOM 1515 CA HIS A 96 29.713 17.117 2.376 1.00 30.57 C ATOM 1516 C HIS A 96 29.118 15.879 2.994 1.00 31.22 C ATOM 1517 O HIS A 96 29.139 15.729 4.219 1.00 32.49 O ATOM 1518 CB HIS A 96 30.794 16.738 1.420 1.00 29.89 C ATOM 1519 CG HIS A 96 31.949 16.060 2.081 1.00 31.88 C ATOM 1520 ND1 HIS A 96 32.793 16.709 2.962 1.00 29.74 N ATOM 1521 CD2 HIS A 96 32.375 14.778 2.020 1.00 30.02 C ATOM 1522 CE1 HIS A 96 33.720 15.856 3.375 1.00 27.92 C ATOM 1523 NE2 HIS A 96 33.468 14.675 2.844 1.00 27.76 N ATOM 1524 HA HIS A 96 28.963 17.662 1.803 1.00 0.00 H ATOM 1525 HB2 HIS A 96 30.376 16.063 0.673 1.00 0.00 H ATOM 1526 HB3 HIS A 96 31.156 17.641 0.929 1.00 0.00 H ATOM 1527 HD2 HIS A 96 31.933 13.977 1.428 1.00 0.00 H ATOM 1528 HE1 HIS A 96 34.550 16.091 4.041 1.00 0.00 H ATOM 1529 H HIS A 96 31.201 18.072 3.643 1.00 0.00 H ATOM 1530 N LEU A 97 28.601 14.986 2.156 1.00 32.37 N ATOM 1531 CA LEU A 97 27.888 13.801 2.639 1.00 33.47 C ATOM 1532 C LEU A 97 28.765 12.555 2.682 1.00 34.48 C ATOM 1533 O LEU A 97 29.185 12.053 1.644 1.00 35.77 O ATOM 1534 CB LEU A 97 26.661 13.507 1.768 1.00 33.48 C ATOM 1535 CG LEU A 97 25.590 14.541 1.378 1.00 30.27 C ATOM 1536 CD1 LEU A 97 24.757 13.929 0.290 1.00 31.53 C ATOM 1537 CD2 LEU A 97 24.722 15.017 2.536 1.00 31.65 C ATOM 1538 HA LEU A 97 27.581 14.036 3.658 1.00 0.00 H ATOM 1539 HB2 LEU A 97 27.057 13.128 0.826 1.00 0.00 H ATOM 1540 HB3 LEU A 97 26.123 12.710 2.282 1.00 0.00 H ATOM 1541 HG LEU A 97 26.095 15.445 1.038 1.00 0.00 H ATOM 1542 HD21 LEU A 97 24.199 14.165 2.970 1.00 0.00 H ATOM 1543 HD22 LEU A 97 25.353 15.482 3.294 1.00 0.00 H ATOM 1544 HD23 LEU A 97 23.996 15.743 2.170 1.00 0.00 H ATOM 1545 HD11 LEU A 97 25.393 13.694 -0.564 1.00 0.00 H ATOM 1546 HD12 LEU A 97 24.292 13.016 0.661 1.00 0.00 H ATOM 1547 HD13 LEU A 97 23.984 14.634 -0.014 1.00 0.00 H ATOM 1548 H LEU A 97 28.705 15.132 1.132 1.00 0.00 H ATOM 1549 N SER A 98 28.994 12.038 3.889 1.00 35.11 N ATOM 1550 CA SER A 98 29.880 10.900 4.091 1.00 35.46 C ATOM 1551 C SER A 98 29.145 9.623 4.519 1.00 35.69 C ATOM 1552 O SER A 98 29.113 8.664 3.777 1.00 35.19 O ATOM 1553 CB SER A 98 30.941 11.233 5.147 1.00 35.06 C ATOM 1554 OG SER A 98 31.652 12.417 4.842 1.00 35.99 O ATOM 1555 HA SER A 98 30.342 10.706 3.123 1.00 0.00 H ATOM 1556 HB2 SER A 98 31.648 10.405 5.207 1.00 0.00 H ATOM 1557 HB3 SER A 98 30.448 11.359 6.111 1.00 0.00 H ATOM 1558 HG SER A 98 32.323 12.589 5.550 1.00 0.00 H ATOM 1559 H SER A 98 28.524 12.462 4.714 1.00 0.00 H ATOM 1560 N ASN A 99 28.520 9.641 5.694 1.00 36.54 N ATOM 1561 CA ASN A 99 27.911 8.420 6.263 1.00 37.25 C ATOM 1562 C ASN A 99 26.375 8.273 6.211 1.00 37.50 C ATOM 1563 O ASN A 99 25.701 8.796 7.070 1.00 38.12 O ATOM 1564 CB ASN A 99 28.375 8.295 7.727 1.00 37.05 C ATOM 1565 CG ASN A 99 29.812 8.803 7.937 1.00 37.51 C ATOM 1566 OD1 ASN A 99 30.792 8.130 7.614 1.00 33.62 O ATOM 1567 ND2 ASN A 99 29.930 9.987 8.498 1.00 41.07 N ATOM 1568 HA ASN A 99 28.258 7.620 5.609 1.00 0.00 H ATOM 1569 HB2 ASN A 99 27.703 8.877 8.358 1.00 0.00 H ATOM 1570 HB3 ASN A 99 28.329 7.246 8.020 1.00 0.00 H ATOM 1571 HD22 ASN A 99 29.080 10.527 8.757 1.00 0.00 H ATOM 1572 HD21 ASN A 99 30.874 10.383 8.682 1.00 0.00 H ATOM 1573 H ASN A 99 28.459 10.534 6.224 1.00 0.00 H ATOM 1574 N PRO A 100 25.841 7.554 5.225 1.00 38.02 N ATOM 1575 CA PRO A 100 24.390 7.248 5.130 1.00 39.11 C ATOM 1576 C PRO A 100 23.770 6.547 6.374 1.00 40.25 C ATOM 1577 O PRO A 100 24.163 5.386 6.633 1.00 41.08 O ATOM 1578 CB PRO A 100 24.328 6.215 4.008 1.00 38.11 C ATOM 1579 CG PRO A 100 25.653 6.298 3.261 1.00 38.50 C ATOM 1580 CD PRO A 100 26.624 6.992 4.116 1.00 37.93 C ATOM 1581 HA PRO A 100 23.845 8.183 5.000 1.00 0.00 H ATOM 1582 HD3 PRO A 100 27.369 6.291 4.492 1.00 0.00 H ATOM 1583 HD2 PRO A 100 27.122 7.786 3.560 1.00 0.00 H ATOM 1584 HG3 PRO A 100 25.518 6.852 2.332 1.00 0.00 H ATOM 1585 HG2 PRO A 100 26.012 5.294 3.035 1.00 0.00 H ATOM 1586 HB2 PRO A 100 24.193 5.216 4.424 1.00 0.00 H ATOM 1587 HB3 PRO A 100 23.502 6.441 3.334 1.00 0.00 H ATOM 1588 N ILE A 101 22.866 7.173 7.129 1.00 39.44 N ATOM 1589 CA ILE A 101 22.179 6.405 8.194 1.00 39.90 C ATOM 1590 C ILE A 101 20.966 5.684 7.571 1.00 40.40 C ATOM 1591 O ILE A 101 19.981 6.327 7.193 1.00 41.21 O ATOM 1592 CB ILE A 101 21.713 7.275 9.391 1.00 39.52 C ATOM 1593 CG1 ILE A 101 22.868 7.995 10.076 1.00 39.47 C ATOM 1594 CG2 ILE A 101 20.888 6.429 10.379 1.00 41.48 C ATOM 1595 CD1 ILE A 101 23.523 7.233 11.249 1.00 40.75 C ATOM 1596 HA ILE A 101 22.901 5.697 8.601 1.00 0.00 H ATOM 1597 HB ILE A 101 21.069 8.061 8.997 1.00 0.00 H ATOM 1598 HG12 ILE A 101 23.637 8.185 9.327 1.00 0.00 H ATOM 1599 HG13 ILE A 101 22.493 8.944 10.459 1.00 0.00 H ATOM 1600 HD11 ILE A 101 22.776 7.044 12.020 1.00 0.00 H ATOM 1601 HD12 ILE A 101 23.921 6.285 10.887 1.00 0.00 H ATOM 1602 HD13 ILE A 101 24.332 7.834 11.664 1.00 0.00 H ATOM 1603 HG21 ILE A 101 20.013 6.027 9.869 1.00 0.00 H ATOM 1604 HG22 ILE A 101 21.501 5.608 10.752 1.00 0.00 H ATOM 1605 HG23 ILE A 101 20.569 7.055 11.213 1.00 0.00 H ATOM 1606 H ILE A 101 22.648 8.178 6.974 1.00 0.00 H ATOM 1607 N MET A 102 21.050 4.360 7.429 1.00 39.75 N ATOM 1608 CA MET A 102 19.993 3.576 6.779 1.00 38.84 C ATOM 1609 C MET A 102 18.710 3.306 7.616 1.00 37.54 C ATOM 1610 O MET A 102 18.742 3.258 8.835 1.00 36.26 O ATOM 1611 CB MET A 102 20.566 2.260 6.226 1.00 39.71 C ATOM 1612 CG MET A 102 21.719 2.435 5.243 1.00 40.57 C ATOM 1613 SD MET A 102 21.371 3.670 3.949 1.00 43.63 S ATOM 1614 CE MET A 102 22.236 2.977 2.556 1.00 43.74 C ATOM 1615 HA MET A 102 19.645 4.220 5.971 1.00 0.00 H ATOM 1616 HB2 MET A 102 20.922 1.664 7.066 1.00 0.00 H ATOM 1617 HB3 MET A 102 19.763 1.726 5.718 1.00 0.00 H ATOM 1618 HG2 MET A 102 21.916 1.476 4.764 1.00 0.00 H ATOM 1619 HG3 MET A 102 22.603 2.751 5.797 1.00 0.00 H ATOM 1620 HE1 MET A 102 23.296 2.889 2.795 1.00 0.00 H ATOM 1621 HE2 MET A 102 21.830 1.991 2.332 1.00 0.00 H ATOM 1622 HE3 MET A 102 22.110 3.628 1.691 1.00 0.00 H ATOM 1623 H MET A 102 21.892 3.868 7.791 1.00 0.00 H ATOM 1624 N ARG A 103 17.567 3.146 6.949 1.00 36.42 N ATOM 1625 CA ARG A 103 16.354 2.845 7.703 1.00 35.88 C ATOM 1626 C ARG A 103 16.291 1.342 7.894 1.00 35.80 C ATOM 1627 CB ARG A 103 15.082 3.362 7.021 1.00 34.78 C ATOM 1628 CG ARG A 103 14.876 2.915 5.591 1.00 32.24 C ATOM 1629 CD ARG A 103 13.398 3.051 5.138 1.00 34.88 C ATOM 1630 NE ARG A 103 13.115 2.361 3.891 1.00 31.25 N ATOM 1631 CZ ARG A 103 13.675 2.696 2.735 1.00 31.88 C ATOM 1632 NH1 ARG A 103 13.353 2.068 1.630 1.00 34.49 N ATOM 1633 NH2 ARG A 103 14.534 3.695 2.662 1.00 27.60 N ATOM 1634 HA ARG A 103 16.400 3.359 8.663 1.00 0.00 H ATOM 1635 OXT ARG A 103 17.268 0.685 7.531 1.00 36.78 O ATOM 1636 HB2 ARG A 103 14.227 3.022 7.605 1.00 0.00 H ATOM 1637 HB3 ARG A 103 15.116 4.451 7.030 1.00 0.00 H ATOM 1638 HG2 ARG A 103 15.500 3.526 4.939 1.00 0.00 H ATOM 1639 HG3 ARG A 103 15.175 1.870 5.504 1.00 0.00 H ATOM 1640 HD2 ARG A 103 13.171 4.109 5.008 1.00 0.00 H ATOM 1641 HD3 ARG A 103 12.757 2.637 5.916 1.00 0.00 H ATOM 1642 HE ARG A 103 12.442 1.568 3.905 1.00 0.00 H ATOM 1643 HH12 ARG A 103 13.798 2.338 0.730 1.00 0.00 H ATOM 1644 HH11 ARG A 103 12.653 1.299 1.654 1.00 0.00 H ATOM 1645 HH22 ARG A 103 14.964 3.945 1.749 1.00 0.00 H ATOM 1646 HH21 ARG A 103 14.781 4.232 3.518 1.00 0.00 H ATOM 1647 H ARG A 103 17.540 3.234 5.913 1.00 0.00 H TER 1648 ARG A 103 HETATM 1649 O HOH 1 12.771 -1.563 -5.476 1.00 29.31 O HETATM 1650 O HOH 2 17.669 25.395 -6.467 1.00 22.22 O HETATM 1651 O HOH 3 16.088 24.272 3.610 1.00 22.83 O HETATM 1652 O HOH 4 28.776 18.587 -0.741 1.00 27.63 O HETATM 1653 O HOH 5 25.688 23.105 -5.196 1.00 20.36 O HETATM 1654 O HOH 6 24.496 25.591 3.449 1.00 26.61 O HETATM 1655 O HOH 7 29.287 20.999 0.252 1.00 35.11 O HETATM 1656 O HOH 8 5.566 10.807 6.562 1.00 34.16 O HETATM 1657 O HOH 9 17.906 30.020 -5.615 1.00 23.53 O HETATM 1658 O HOH 10 11.639 4.952 8.432 1.00 32.89 O HETATM 1659 O HOH 11 31.530 21.173 1.869 1.00 32.02 O HETATM 1660 O HOH 12 32.921 19.577 3.019 1.00 35.06 O HETATM 1661 O HOH 13 24.057 17.597 19.863 1.00 52.56 O HETATM 1662 O HOH 14 10.072 10.686 6.030 1.00 26.36 O HETATM 1663 O HOH 15 9.480 26.312 6.152 1.00 56.90 O HETATM 1664 O HOH 16 27.378 8.909 0.565 1.00 45.93 O HETATM 1665 O HOH 17 6.227 15.976 3.345 1.00 35.94 O HETATM 1666 O HOH 18 30.429 6.545 5.963 1.00 41.51 O HETATM 1667 O HOH 19 12.195 26.998 8.783 1.00 61.61 O HETATM 1668 O HOH 20 9.428 12.755 18.454 1.00 39.39 O HETATM 1669 O HOH 21 14.263 9.503 -7.872 1.00 34.28 O HETATM 1670 O HOH 22 9.905 21.328 -14.554 1.00 53.86 O HETATM 1671 O HOH 23 24.134 20.602 -10.183 1.00 34.12 O HETATM 1672 O HOH 24 13.740 5.455 10.601 1.00 40.70 O HETATM 1673 O HOH 25 21.410 8.652 -12.594 1.00 39.77 O HETATM 1674 O HOH 26 12.185 28.332 6.831 1.00 60.68 O HETATM 1675 O HOH 27 27.286 10.436 -1.845 1.00 45.57 O HETATM 1676 O HOH 28 19.027 30.741 -11.355 1.00 39.97 O HETATM 1677 O HOH 29 24.190 13.623 -14.068 1.00 49.69 O HETATM 1678 O HOH 30 27.972 5.872 8.008 1.00 39.19 O HETATM 1679 O HOH 31 27.464 9.687 18.730 1.00 50.44 O HETATM 1680 O HOH 32 28.489 5.463 10.567 1.00 46.09 O HETATM 1681 O HOH 33 7.191 5.242 -0.363 1.00 30.11 O HETATM 1682 O HOH 34 25.997 11.401 -13.455 1.00 49.49 O HETATM 1683 O HOH 35 16.879 -1.660 7.953 1.00283.12 O HETATM 1684 O HOH 36 9.791 28.466 -3.776 1.00 58.62 O HETATM 1685 O HOH 37 8.712 11.109 -1.368 1.00 37.94 O HETATM 1686 O HOH 38 6.670 6.712 -2.387 1.00 47.28 O HETATM 1687 O HOH 39 22.531 16.022 -12.854 1.00 36.68 O HETATM 1688 O HOH 40 20.051 -1.365 7.185 1.00 67.71 O HETATM 1689 O HOH 41 7.062 12.380 -9.759 1.00 53.49 O HETATM 1690 O HOH 42 33.691 17.381 9.245 1.00 32.80 O HETATM 1691 O HOH 43 15.104 9.253 21.360 1.00 36.47 O HETATM 1692 O HOH 44 28.252 12.925 18.055 1.00 48.27 O HETATM 1693 O HOH 45 25.525 14.956 -10.267 1.00 65.58 O HETATM 1694 O HOH 46 28.213 14.315 -9.684 1.00 50.00 O HETATM 1695 O HOH 47 30.786 15.333 13.855 1.00 50.57 O HETATM 1696 O HOH 48 18.234 5.196 -4.784 1.00 47.21 O HETATM 1697 O HOH 49 7.065 13.647 10.727 1.00 39.88 O HETATM 1698 O HOH 50 5.373 13.839 8.194 1.00 49.01 O HETATM 1699 O HOH 51 8.339 14.138 -3.557 1.00 43.17 O HETATM 1700 O HOH 52 33.695 22.675 -7.238 1.00 34.80 O HETATM 1701 O HOH 53 8.860 23.871 -5.836 1.00 45.03 O HETATM 1702 O HOH 54 28.947 16.961 14.728 1.00 32.40 O HETATM 1703 O HOH 55 14.183 27.871 4.067 1.00 51.19 O HETATM 1704 O HOH 56 21.995 20.787 -11.052 1.00 36.31 O HETATM 1705 O HOH 57 33.737 16.089 6.954 1.00 43.88 O HETATM 1706 O HOH 58 34.359 23.915 1.113 1.00 56.07 O HETATM 1707 O HOH 59 23.796 6.038 -2.648 1.00 44.41 O HETATM 1708 O HOH 60 19.391 13.202 -2.710 1.00 46.86 O HETATM 1709 O HOH 61 13.707 10.717 19.576 1.00 54.75 O HETATM 1710 O HOH 62 6.038 6.067 7.718 1.00 44.12 O HETATM 1711 O HOH 63 32.774 21.379 6.121 1.00 40.36 O HETATM 1712 O HOH 64 26.490 15.010 20.746 1.00 60.27 O HETATM 1713 O HOH 65 27.211 23.676 -8.187 1.00 30.70 O HETATM 1714 O HOH 66 22.877 2.959 -1.544 1.00 46.06 O HETATM 1715 O HOH 67 20.567 0.483 9.299 1.00 44.68 O HETATM 1716 O HOH 68 28.936 9.916 -2.748 1.00 99.86 O HETATM 1717 O HOH 69 29.630 11.536 -5.212 1.00 37.50 O HETATM 1718 O HOH 70 22.120 38.209 0.116 1.00 70.75 O HETATM 1719 O HOH 71 34.960 13.833 5.901 1.00 55.22 O HETATM 1720 O HOH 72 33.812 11.820 7.991 1.00 51.72 O HETATM 1721 O HOH 73 31.756 23.821 3.059 1.00 38.56 O HETATM 1722 O HOH 74 31.479 26.536 4.245 1.00 58.34 O HETATM 1723 O HOH 75 20.897 10.480 20.274 1.00 44.97 O HETATM 1724 O HOH 76 27.507 29.945 -5.554 1.00 35.94 O HETATM 1725 O HOH 77 16.274 17.845 10.899 1.00 39.07 O HETATM 1726 O HOH 78 16.289 26.558 11.498 1.00 54.99 O HETATM 1727 O HOH 79 21.645 29.071 5.065 1.00 35.52 O HETATM 1728 O HOH 80 29.483 29.236 -0.891 1.00 20.09 O HETATM 1729 O HOH 81 20.721 31.264 3.448 1.00 31.17 O HETATM 1730 O HOH 82 20.087 29.647 8.047 1.00 32.65 O HETATM 1731 O HOH 83 22.931 32.510 2.616 1.00 58.99 O HETATM 1732 O HOH 84 33.335 26.536 -1.233 1.00 42.08 O HETATM 1733 O HOH 85 13.906 23.822 13.248 1.00 43.87 O HETATM 1734 O HOH 86 13.492 25.253 20.122 1.00 51.76 O HETATM 1735 N SER A 87 14.741 23.220 18.537 1.00 0.24 N HETATM 1736 CA SER A 87 15.103 21.870 18.048 1.00 0.09 C HETATM 1737 C SER A 87 16.591 21.845 17.868 1.00 0.23 C HETATM 1738 O SER A 87 17.273 22.809 18.205 1.00 -0.39 O HETATM 1739 N SER A 87 17.108 20.748 17.333 1.00 -0.26 N HETATM 1740 CA SER A 87 18.555 20.594 17.166 1.00 0.13 C HETATM 1741 C SER A 87 18.839 20.506 15.683 1.00 0.20 C HETATM 1742 O SER A 87 19.707 19.799 15.240 1.00 -0.39 O HETATM 1743 N SER A 87 17.977 21.152 14.909 1.00 -0.26 N HETATM 1744 CA SER A 87 18.105 21.125 13.466 1.00 0.16 C HETATM 1745 C SER A 87 18.198 22.535 12.980 1.00 0.21 C HETATM 1746 O SER A 87 17.433 23.393 13.409 1.00 -0.39 O HETATM 1747 N SER A 87 19.158 22.802 12.116 1.00 -0.26 N HETATM 1748 CA SER A 87 19.216 24.128 11.516 1.00 0.13 C HETATM 1749 C SER A 87 18.807 23.991 10.053 1.00 0.20 C HETATM 1750 O SER A 87 19.346 23.139 9.350 1.00 -0.39 O HETATM 1751 N SER A 87 17.853 24.799 9.605 1.00 -0.26 N HETATM 1752 CA SER A 87 17.419 24.729 8.212 1.00 0.15 C HETATM 1753 C SER A 87 18.426 25.599 7.457 1.00 0.21 C HETATM 1754 O SER A 87 18.809 26.665 7.953 1.00 -0.39 O HETATM 1755 N SER A 87 18.907 25.141 6.303 1.00 -0.26 N HETATM 1756 CA SER A 87 19.893 25.935 5.581 1.00 0.13 C HETATM 1757 C SER A 87 19.592 25.907 4.110 1.00 0.20 C HETATM 1758 O SER A 87 18.810 25.098 3.651 1.00 -0.39 O HETATM 1759 N SER A 87 20.182 26.832 3.371 1.00 -0.26 N HETATM 1760 CA SER A 87 20.066 26.792 1.905 1.00 0.13 C HETATM 1761 C SER A 87 21.453 26.487 1.298 1.00 0.20 C HETATM 1762 O SER A 87 22.463 26.799 1.918 1.00 -0.39 O HETATM 1763 N SER A 87 21.503 25.886 0.104 1.00 -0.26 N HETATM 1764 CA SER A 87 22.746 25.617 -0.586 1.00 0.13 C HETATM 1765 C SER A 87 23.359 26.975 -1.047 1.00 0.20 C HETATM 1766 O SER A 87 22.623 27.893 -1.449 1.00 -0.39 O HETATM 1767 N SER A 87 24.692 27.095 -0.986 1.00 -0.26 N HETATM 1768 CA SER A 87 25.371 28.362 -1.356 1.00 0.13 C HETATM 1769 C SER A 87 26.394 28.403 -2.527 1.00 0.20 C HETATM 1770 O SER A 87 27.240 29.284 -2.553 1.00 -0.39 O HETATM 1771 N SER A 87 26.319 27.477 -3.477 1.00 -0.26 N HETATM 1772 CA SER A 87 27.253 27.383 -4.607 1.00 0.14 C HETATM 1773 C SER A 87 26.544 26.619 -5.725 1.00 0.26 C HETATM 1774 OXT SER A 87 26.800 26.765 -6.926 1.00 -0.37 O HETATM 1775 O1 SER A 87 25.598 25.748 -5.387 1.00 -0.29 O HETATM 1776 H88 SER A 87 25.842 24.882 -5.694 1.00 0.25 H HETATM 1777 CB SER A 87 28.534 26.619 -4.206 1.00 -0.01 C HETATM 1778 CG SER A 87 29.542 26.421 -5.323 1.00 -0.04 C HETATM 1779 CD SER A 87 31.006 26.299 -4.798 1.00 -0.01 C HETATM 1780 CE SER A 87 31.245 27.260 -3.622 1.00 -0.04 C HETATM 1781 NZ SER A 87 32.712 27.383 -3.213 1.00 0.22 N HETATM 1782 H85 SER A 87 32.793 28.026 -2.441 1.00 0.20 H HETATM 1783 H86 SER A 87 33.251 27.726 -3.993 1.00 0.20 H HETATM 1784 H87 SER A 87 33.060 26.479 -2.935 1.00 0.20 H HETATM 1785 H83 SER A 87 30.673 26.896 -2.756 1.00 0.08 H HETATM 1786 H84 SER A 87 30.881 28.257 -3.910 1.00 0.08 H HETATM 1787 H81 SER A 87 31.703 26.545 -5.612 1.00 0.03 H HETATM 1788 H82 SER A 87 31.184 25.267 -4.462 1.00 0.03 H HETATM 1789 H79 SER A 87 29.484 27.281 -6.006 1.00 0.03 H HETATM 1790 H80 SER A 87 29.286 25.501 -5.869 1.00 0.03 H HETATM 1791 H77 SER A 87 28.237 25.627 -3.835 1.00 0.03 H HETATM 1792 H78 SER A 87 29.026 27.180 -3.398 1.00 0.03 H HETATM 1793 H76 SER A 87 27.523 28.393 -4.951 1.00 0.08 H HETATM 1794 H75 SER A 87 25.582 26.803 -3.419 1.00 0.19 H HETATM 1795 CB SER A 87 26.037 28.962 -0.117 1.00 0.00 C HETATM 1796 CG SER A 87 25.070 29.247 1.029 1.00 0.04 C HETATM 1797 CD SER A 87 25.788 29.765 2.259 1.00 0.17 C HETATM 1798 OE1 SER A 87 26.959 29.455 2.470 1.00 -0.40 O HETATM 1799 NE2 SER A 87 25.093 30.560 3.071 1.00 -0.30 N HETATM 1800 H73 SER A 87 25.521 30.929 3.896 1.00 0.18 H HETATM 1801 H74 SER A 87 24.144 30.788 2.855 1.00 0.18 H HETATM 1802 H71 SER A 87 24.544 28.317 1.290 1.00 0.05 H HETATM 1803 H72 SER A 87 24.340 30.001 0.699 1.00 0.05 H HETATM 1804 H69 SER A 87 26.519 29.907 -0.406 1.00 0.03 H HETATM 1805 H70 SER A 87 26.800 28.256 0.242 1.00 0.03 H HETATM 1806 H68 SER A 87 24.560 29.042 -1.657 1.00 0.08 H HETATM 1807 H67 SER A 87 25.241 26.315 -0.685 1.00 0.19 H HETATM 1808 CB SER A 87 22.484 24.648 -1.756 1.00 -0.01 C HETATM 1809 CG1 SER A 87 23.735 24.362 -2.575 1.00 -0.06 C HETATM 1810 H61 SER A 87 23.488 23.668 -3.392 1.00 0.02 H HETATM 1811 H62 SER A 87 24.501 23.909 -1.928 1.00 0.02 H HETATM 1812 H63 SER A 87 24.120 25.302 -2.997 1.00 0.02 H HETATM 1813 CG2 SER A 87 21.868 23.325 -1.218 1.00 -0.06 C HETATM 1814 H64 SER A 87 20.967 23.553 -0.630 1.00 0.02 H HETATM 1815 H65 SER A 87 22.602 22.812 -0.580 1.00 0.02 H HETATM 1816 H66 SER A 87 21.599 22.675 -2.064 1.00 0.02 H HETATM 1817 H60 SER A 87 21.750 25.121 -2.425 1.00 0.03 H HETATM 1818 H59 SER A 87 23.449 25.136 0.110 1.00 0.08 H HETATM 1819 H58 SER A 87 20.645 25.611 -0.330 1.00 0.19 H HETATM 1820 CB SER A 87 19.545 28.124 1.322 1.00 0.00 C HETATM 1821 CG SER A 87 18.413 28.842 2.072 1.00 0.04 C HETATM 1822 CD SER A 87 17.797 29.996 1.266 1.00 0.17 C HETATM 1823 OE1 SER A 87 16.576 30.044 1.096 1.00 -0.40 O HETATM 1824 NE2 SER A 87 18.632 30.932 0.805 1.00 -0.30 N HETATM 1825 H56 SER A 87 18.276 31.702 0.275 1.00 0.18 H HETATM 1826 H57 SER A 87 19.612 30.862 0.990 1.00 0.18 H HETATM 1827 H54 SER A 87 18.817 29.247 3.012 1.00 0.05 H HETATM 1828 H55 SER A 87 17.623 28.111 2.297 1.00 0.05 H HETATM 1829 H52 SER A 87 19.184 27.917 0.304 1.00 0.03 H HETATM 1830 H53 SER A 87 20.398 28.817 1.275 1.00 0.03 H HETATM 1831 H51 SER A 87 19.365 25.990 1.630 1.00 0.08 H HETATM 1832 H50 SER A 87 20.708 27.560 3.810 1.00 0.19 H HETATM 1833 CB SER A 87 21.309 25.416 5.849 1.00 -0.02 C HETATM 1834 H47 SER A 87 22.035 26.029 5.295 1.00 0.03 H HETATM 1835 H48 SER A 87 21.385 24.370 5.518 1.00 0.03 H HETATM 1836 H49 SER A 87 21.524 25.477 6.926 1.00 0.03 H HETATM 1837 H46 SER A 87 19.831 26.975 5.933 1.00 0.08 H HETATM 1838 H45 SER A 87 18.596 24.264 5.937 1.00 0.19 H HETATM 1839 CB SER A 87 15.914 25.068 8.023 1.00 0.04 C HETATM 1840 CG SER A 87 15.018 23.827 8.129 1.00 -0.00 C HETATM 1841 CD1 SER A 87 14.480 23.433 9.351 1.00 -0.02 C HETATM 1842 CE1 SER A 87 13.686 22.311 9.460 1.00 0.01 C HETATM 1843 CZ SER A 87 13.434 21.535 8.358 1.00 0.17 C HETATM 1844 CE2 SER A 87 13.968 21.892 7.131 1.00 0.01 C HETATM 1845 CD2 SER A 87 14.751 23.030 7.025 1.00 -0.02 C HETATM 1846 H42 SER A 87 15.163 23.303 6.060 1.00 0.07 H HETATM 1847 H44 SER A 87 13.774 21.283 6.256 1.00 0.07 H HETATM 1848 OH SER A 87 12.727 20.512 8.489 1.00 -0.20 O HETATM 1849 P SER A 87 11.129 20.546 8.294 1.00 0.13 P HETATM 1850 O1P SER A 87 10.757 20.867 6.877 1.00 -0.67 O HETATM 1851 O2P SER A 87 10.535 21.649 9.166 1.00 -0.67 O HETATM 1852 O3P SER A 87 10.647 19.122 8.662 1.00 -0.67 O HETATM 1853 H43 SER A 87 13.260 22.042 10.420 1.00 0.07 H HETATM 1854 H41 SER A 87 14.690 24.021 10.237 1.00 0.07 H HETATM 1855 H39 SER A 87 15.775 25.520 7.030 1.00 0.06 H HETATM 1856 H40 SER A 87 15.614 25.788 8.799 1.00 0.06 H HETATM 1857 H38 SER A 87 17.543 23.694 7.861 1.00 0.08 H HETATM 1858 H37 SER A 87 17.429 25.459 10.225 1.00 0.19 H HETATM 1859 CB SER A 87 20.632 24.713 11.624 1.00 -0.00 C HETATM 1860 CG1 SER A 87 21.074 24.755 13.090 1.00 -0.05 C HETATM 1861 CD1 SER A 87 20.729 26.081 13.799 1.00 -0.06 C HETATM 1862 H34 SER A 87 21.074 26.039 14.843 1.00 0.02 H HETATM 1863 H35 SER A 87 19.640 26.235 13.779 1.00 0.02 H HETATM 1864 H36 SER A 87 21.227 26.914 13.281 1.00 0.02 H HETATM 1865 H29 SER A 87 22.164 24.613 13.129 1.00 0.03 H HETATM 1866 H30 SER A 87 20.577 23.934 13.627 1.00 0.03 H HETATM 1867 CG2 SER A 87 20.639 26.133 11.057 1.00 -0.06 C HETATM 1868 H31 SER A 87 20.322 26.109 10.004 1.00 0.02 H HETATM 1869 H32 SER A 87 21.655 26.550 11.125 1.00 0.02 H HETATM 1870 H33 SER A 87 19.945 26.762 11.634 1.00 0.02 H HETATM 1871 H28 SER A 87 21.330 24.085 11.051 1.00 0.03 H HETATM 1872 H27 SER A 87 18.513 24.797 12.034 1.00 0.08 H HETATM 1873 H26 SER A 87 19.835 22.106 11.877 1.00 0.19 H HETATM 1874 CB SER A 87 16.880 20.464 12.881 1.00 0.09 C HETATM 1875 OG1 SER A 87 17.105 19.053 12.859 1.00 -0.39 O HETATM 1876 H22 SER A 87 16.344 18.618 12.493 1.00 0.21 H HETATM 1877 CG2 SER A 87 16.704 20.892 11.408 1.00 -0.03 C HETATM 1878 H23 SER A 87 15.810 20.407 10.989 1.00 0.03 H HETATM 1879 H24 SER A 87 17.590 20.590 10.830 1.00 0.03 H HETATM 1880 H25 SER A 87 16.587 21.984 11.355 1.00 0.03 H HETATM 1881 H21 SER A 87 15.987 20.716 13.472 1.00 0.06 H HETATM 1882 H20 SER A 87 19.007 20.566 13.175 1.00 0.08 H HETATM 1883 H19 SER A 87 17.228 21.665 15.328 1.00 0.19 H HETATM 1884 CB SER A 87 18.998 19.308 17.846 1.00 -0.01 C HETATM 1885 CG SER A 87 18.934 19.426 19.375 1.00 -0.04 C HETATM 1886 CD1 SER A 87 19.250 18.105 20.052 1.00 -0.06 C HETATM 1887 H13 SER A 87 19.194 18.230 21.143 1.00 0.02 H HETATM 1888 H14 SER A 87 20.263 17.782 19.771 1.00 0.02 H HETATM 1889 H15 SER A 87 18.521 17.346 19.732 1.00 0.02 H HETATM 1890 CD2 SER A 87 19.843 20.570 19.913 1.00 -0.06 C HETATM 1891 H16 SER A 87 19.589 21.511 19.403 1.00 0.02 H HETATM 1892 H17 SER A 87 20.897 20.322 19.721 1.00 0.02 H HETATM 1893 H18 SER A 87 19.685 20.685 20.995 1.00 0.02 H HETATM 1894 H12 SER A 87 17.898 19.686 19.636 1.00 0.03 H HETATM 1895 H10 SER A 87 20.033 19.085 17.548 1.00 0.03 H HETATM 1896 H11 SER A 87 18.339 18.488 17.523 1.00 0.03 H HETATM 1897 H9 SER A 87 19.084 21.453 17.605 1.00 0.08 H HETATM 1898 H8 SER A 87 16.499 20.012 17.038 1.00 0.19 H HETATM 1899 CB SER A 87 14.383 21.536 16.735 1.00 0.10 C HETATM 1900 OG SER A 87 14.428 22.617 15.815 1.00 -0.39 O HETATM 1901 H7 SER A 87 13.973 22.372 15.018 1.00 0.21 H HETATM 1902 H5 SER A 87 13.331 21.301 16.956 1.00 0.06 H HETATM 1903 H6 SER A 87 14.866 20.660 16.278 1.00 0.06 H HETATM 1904 H4 SER A 87 14.816 21.123 18.802 1.00 0.11 H HETATM 1905 H1 SER A 87 13.743 23.273 18.670 1.00 0.20 H HETATM 1906 H2 SER A 87 15.027 23.910 17.860 1.00 0.20 H HETATM 1907 H3 SER A 87 15.206 23.396 19.414 1.00 0.20 H CONECT 1 2 17 18 19 CONECT 17 1 CONECT 18 1 CONECT 19 1 CONECT 1735 1736 1905 1906 1907 CONECT 1736 1735 1737 1899 1904 CONECT 1737 1736 1738 1739 CONECT 1738 1737 CONECT 1739 1737 1740 1898 CONECT 1740 1739 1741 1884 1897 CONECT 1741 1740 1742 1743 CONECT 1742 1741 CONECT 1743 1741 1744 1883 CONECT 1744 1743 1745 1874 1882 CONECT 1745 1744 1746 1747 CONECT 1746 1745 CONECT 1747 1745 1748 1873 CONECT 1748 1747 1749 1859 1872 CONECT 1749 1748 1750 1751 CONECT 1750 1749 CONECT 1751 1749 1752 1858 CONECT 1752 1751 1753 1839 1857 CONECT 1753 1752 1754 1755 CONECT 1754 1753 CONECT 1755 1753 1756 1838 CONECT 1756 1755 1757 1833 1837 CONECT 1757 1756 1758 1759 CONECT 1758 1757 CONECT 1759 1757 1760 1832 CONECT 1760 1759 1761 1820 1831 CONECT 1761 1760 1762 1763 CONECT 1762 1761 CONECT 1763 1761 1764 1819 CONECT 1764 1763 1765 1808 1818 CONECT 1765 1764 1766 1767 CONECT 1766 1765 CONECT 1767 1765 1768 1807 CONECT 1768 1767 1769 1795 1806 CONECT 1769 1768 1770 1771 CONECT 1770 1769 CONECT 1771 1769 1772 1794 CONECT 1772 1771 1773 1777 1793 CONECT 1773 1772 1774 1775 CONECT 1774 1773 CONECT 1775 1773 1776 CONECT 1776 1775 CONECT 1777 1772 1778 1791 1792 CONECT 1778 1777 1779 1789 1790 CONECT 1779 1778 1780 1787 1788 CONECT 1780 1779 1781 1785 1786 CONECT 1781 1780 1782 1783 1784 CONECT 1782 1781 CONECT 1783 1781 CONECT 1784 1781 CONECT 1785 1780 CONECT 1786 1780 CONECT 1787 1779 CONECT 1788 1779 CONECT 1789 1778 CONECT 1790 1778 CONECT 1791 1777 CONECT 1792 1777 CONECT 1793 1772 CONECT 1794 1771 CONECT 1795 1768 1796 1804 1805 CONECT 1796 1795 1797 1802 1803 CONECT 1797 1796 1798 1799 CONECT 1798 1797 CONECT 1799 1797 1800 1801 CONECT 1800 1799 CONECT 1801 1799 CONECT 1802 1796 CONECT 1803 1796 CONECT 1804 1795 CONECT 1805 1795 CONECT 1806 1768 CONECT 1807 1767 CONECT 1808 1764 1809 1813 1817 CONECT 1809 1808 1810 1811 1812 CONECT 1810 1809 CONECT 1811 1809 CONECT 1812 1809 CONECT 1813 1808 1814 1815 1816 CONECT 1814 1813 CONECT 1815 1813 CONECT 1816 1813 CONECT 1817 1808 CONECT 1818 1764 CONECT 1819 1763 CONECT 1820 1760 1821 1829 1830 CONECT 1821 1820 1822 1827 1828 CONECT 1822 1821 1823 1824 CONECT 1823 1822 CONECT 1824 1822 1825 1826 CONECT 1825 1824 CONECT 1826 1824 CONECT 1827 1821 CONECT 1828 1821 CONECT 1829 1820 CONECT 1830 1820 CONECT 1831 1760 CONECT 1832 1759 CONECT 1833 1756 1834 1835 1836 CONECT 1834 1833 CONECT 1835 1833 CONECT 1836 1833 CONECT 1837 1756 CONECT 1838 1755 CONECT 1839 1752 1840 1855 1856 CONECT 1840 1839 1841 1845 CONECT 1841 1840 1842 1854 CONECT 1842 1841 1843 1853 CONECT 1843 1842 1844 1848 CONECT 1844 1843 1845 1847 CONECT 1845 1840 1844 1846 CONECT 1846 1845 CONECT 1847 1844 CONECT 1848 1843 1849 CONECT 1849 1848 1850 1851 1852 CONECT 1850 1849 CONECT 1851 1849 CONECT 1852 1849 CONECT 1853 1842 CONECT 1854 1841 CONECT 1855 1839 CONECT 1856 1839 CONECT 1857 1752 CONECT 1858 1751 CONECT 1859 1748 1860 1867 1871 CONECT 1860 1859 1861 1865 1866 CONECT 1861 1860 1862 1863 1864 CONECT 1862 1861 CONECT 1863 1861 CONECT 1864 1861 CONECT 1865 1860 CONECT 1866 1860 CONECT 1867 1859 1868 1869 1870 CONECT 1868 1867 CONECT 1869 1867 CONECT 1870 1867 CONECT 1871 1859 CONECT 1872 1748 CONECT 1873 1747 CONECT 1874 1744 1875 1877 1881 CONECT 1875 1874 1876 CONECT 1876 1875 CONECT 1877 1874 1878 1879 1880 CONECT 1878 1877 CONECT 1879 1877 CONECT 1880 1877 CONECT 1881 1874 CONECT 1882 1744 CONECT 1883 1743 CONECT 1884 1740 1885 1895 1896 CONECT 1885 1884 1886 1890 1894 CONECT 1886 1885 1887 1888 1889 CONECT 1887 1886 CONECT 1888 1886 CONECT 1889 1886 CONECT 1890 1885 1891 1892 1893 CONECT 1891 1890 CONECT 1892 1890 CONECT 1893 1890 CONECT 1894 1885 CONECT 1895 1884 CONECT 1896 1884 CONECT 1897 1740 CONECT 1898 1739 CONECT 1899 1736 1900 1902 1903 CONECT 1900 1899 1901 CONECT 1901 1900 CONECT 1902 1899 CONECT 1903 1899 CONECT 1904 1736 CONECT 1905 1735 CONECT 1906 1735 CONECT 1907 1735 MASTER 0 0 0 0 0 0 0 0 1906 1 177 8 END
Display Options:
Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
Goto PDB code:
3D presentation of molecule is powered by
3Dmol
, which supports all modern browsers and mobile devices via WebGL.
Hold mouse button:
left to rotate,middle to shift,right to zoom
Related entries of code: 1i3z
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB Code
Check Database
Protein Sequence Similarity
1d4t
RCSB PDB
PDBbind
11aa, >1D4T_2|Chain... at 100%
1d4w
RCSB PDB
PDBbind
11aa, >1D4W_2|Chains... at 100%
1ka7
RCSB PDB
PDBbind
12aa, >1KA7_2|Chain... at 91%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1azg
RCSB PDB
PDBbind
14-mer
1bt6
RCSB PDB
PDBbind
14-mer
1eoj
RCSB PDB
PDBbind
14-mer
1f3j
RCSB PDB
PDBbind
14-mer
1iht
RCSB PDB
PDBbind
14-mer
1jbd
RCSB PDB
PDBbind
14-mer
1mv0
RCSB PDB
PDBbind
14-mer
1n5z
RCSB PDB
PDBbind
14-mer
1ntv
RCSB PDB
PDBbind
14-mer
1oj5
RCSB PDB
PDBbind
14-mer
1oxg
RCSB PDB
PDBbind
14-mer
1sfi
RCSB PDB
PDBbind
14-mer
1t29
RCSB PDB
PDBbind
14-mer
1x11
RCSB PDB
PDBbind
14-mer
1xh3
RCSB PDB
PDBbind
14-mer
1xn3
RCSB PDB
PDBbind
14-mer
1y19
RCSB PDB
PDBbind
14-mer
2fci
RCSB PDB
PDBbind
14-mer
2fx9
RCSB PDB
PDBbind
14-mer
2hug
RCSB PDB
PDBbind
14-mer
2jnw
RCSB PDB
PDBbind
14-mer
2l0i
RCSB PDB
PDBbind
14-mer
2l6e
RCSB PDB
PDBbind
14-mer
2l75
RCSB PDB
PDBbind
14-mer
2lo6
RCSB PDB
PDBbind
14-mer
2loz
RCSB PDB
PDBbind
14-mer
2ltw
RCSB PDB
PDBbind
14-mer
2n8t
RCSB PDB
PDBbind
14-mer
2oi3
RCSB PDB
PDBbind
14-mer
2w2u
RCSB PDB
PDBbind
14-mer
2xl2
RCSB PDB
PDBbind
14-mer
2xl3
RCSB PDB
PDBbind
14-mer
2xrw
RCSB PDB
PDBbind
14-mer
2xs0
RCSB PDB
PDBbind
14-mer
2y8o
RCSB PDB
PDBbind
14-mer
3d9k
RCSB PDB
PDBbind
14-mer
3d9l
RCSB PDB
PDBbind
14-mer
3d9m
RCSB PDB
PDBbind
14-mer
3d9n
RCSB PDB
PDBbind
14-mer
3d9o
RCSB PDB
PDBbind
14-mer
3d9p
RCSB PDB
PDBbind
14-mer
3g2w
RCSB PDB
PDBbind
14-mer
3lrh
RCSB PDB
PDBbind
14-mer
3meu
RCSB PDB
PDBbind
14-mer
3pkn
RCSB PDB
PDBbind
14-mer
3rqe
RCSB PDB
PDBbind
14-mer
3so6
RCSB PDB
PDBbind
14-mer
3ual
RCSB PDB
PDBbind
14-mer
3wdz
RCSB PDB
PDBbind
14-mer
3wut
RCSB PDB
PDBbind
14-mer
3wuu
RCSB PDB
PDBbind
14-mer
3wuv
RCSB PDB
PDBbind
14-mer
4aza
RCSB PDB
PDBbind
14-mer
4ch2
RCSB PDB
PDBbind
14-mer
4ch8
RCSB PDB
PDBbind
14-mer
4erq
RCSB PDB
PDBbind
14-mer
4ery
RCSB PDB
PDBbind
14-mer
4erz
RCSB PDB
PDBbind
14-mer
4es0
RCSB PDB
PDBbind
14-mer
4ewr
RCSB PDB
PDBbind
14-mer
4fi9
RCSB PDB
PDBbind
14-mer
4gly
RCSB PDB
PDBbind
14-mer
4gxl
RCSB PDB
PDBbind
14-mer
4hgc
RCSB PDB
PDBbind
14-mer
4i7b
RCSB PDB
PDBbind
14-mer
4i7c
RCSB PDB
PDBbind
14-mer
4i7d
RCSB PDB
PDBbind
14-mer
4k1e
RCSB PDB
PDBbind
14-mer
4ktu
RCSB PDB
PDBbind
14-mer
4m1d
RCSB PDB
PDBbind
14-mer
4mnv
RCSB PDB
PDBbind
14-mer
4mnw
RCSB PDB
PDBbind
14-mer
4mnx
RCSB PDB
PDBbind
14-mer
4mny
RCSB PDB
PDBbind
14-mer
4o4y
RCSB PDB
PDBbind
14-mer
4ofb
RCSB PDB
PDBbind
14-mer
4os2
RCSB PDB
PDBbind
14-mer
4os6
RCSB PDB
PDBbind
14-mer
4ov5
RCSB PDB
PDBbind
14-mer
4wv6
RCSB PDB
PDBbind
14-mer
5aer
RCSB PDB
PDBbind
14-mer
5dpw
RCSB PDB
PDBbind
14-mer
5e0l
RCSB PDB
PDBbind
14-mer
5eoc
RCSB PDB
PDBbind
14-mer
5h5s
RCSB PDB
PDBbind
14-mer
5ixf
RCSB PDB
PDBbind
14-mer
5ly1
RCSB PDB
PDBbind
14-mer
5ly2
RCSB PDB
PDBbind
14-mer
5n8w
RCSB PDB
PDBbind
14-mer
5unj
RCSB PDB
PDBbind
14-mer
5vlh
RCSB PDB
PDBbind
14-mer
5vll
RCSB PDB
PDBbind
14-mer
5wbk
RCSB PDB
PDBbind
14-mer
5zoo
RCSB PDB
PDBbind
14-mer
6axk
RCSB PDB
PDBbind
14-mer
6axl
RCSB PDB
PDBbind
14-mer
6b27
RCSB PDB
PDBbind
14-mer
6co4
RCSB PDB
PDBbind
14-mer
6qcg
RCSB PDB
PDBbind
14-mer
6qc0
RCSB PDB
PDBbind
14-mer
6pxc
RCSB PDB
PDBbind
14-mer
6o3w
RCSB PDB
PDBbind
14-mer
6o21
RCSB PDB
PDBbind
14-mer
6nk1
RCSB PDB
PDBbind
14-mer
6fzp
RCSB PDB
PDBbind
14-mer
6fzj
RCSB PDB
PDBbind
14-mer
6fzf
RCSB PDB
PDBbind
14-mer
6d3x
RCSB PDB
PDBbind
14-mer
6bvh
RCSB PDB
PDBbind
14-mer
6bcr
RCSB PDB
PDBbind
14-mer
5zk7
RCSB PDB
PDBbind
14-mer
5zjy
RCSB PDB
PDBbind
14-mer
5y21
RCSB PDB
PDBbind
14-mer
5xvw
RCSB PDB
PDBbind
14-mer
5vk0
RCSB PDB
PDBbind
14-mer
5ok6
RCSB PDB
PDBbind
14-mer
6bd1
RCSB PDB
PDBbind
14-mer
Entry Information
PDB ID
1i3z
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
EWS/FLI1 activated transcript 2(ETA-2)
Ligand Name
14-mer
EC.Number
E.C.-.-.-.-
Resolution
2.15(Å)
Affinity (Kd/Ki/IC50)
Kd=131nM
Release Year
2003
Protein/NA Sequence
Check fasta file
Primary Reference
(2001) Eur.J.Biochem. Vol. 20: pp. 5840-5852
Ligand Properties
Formula
C
5
2
H
9
1
N
1
3
O
1
9
P
Molecular Weight
1233.330
Exact Mass
1232.630
No. of atoms
176
No. of bonds
176
Polar Surface Area
564.63
LOGP Value
-8.41 (
Computed with XLOGP3
)
-1.68 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 16
No. of Hydrogen Bond Acceptors: 18
No. of Rotatable Bonds: 51
No. of Nitrogen and Oxygen Atoms: 32
No. of Rings: 1
Canonical SMILES
[NH3+]CCCC[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CO)[NH3+])CC(C)C)Cc1ccc(cc1)OP(O)(O)O)C)CCC(=O)N)CCC(=O)N
InChI String
InChI=1S/C52H90N13O19P/c1-9-27(6)41(64-51(78)42(29(8)67)65-48(75)36(22-25(2)3)61-44(71)32(54)24-66)50(77)62-37(23-30-13-15-31(16-14-30)84-85(81,82)83)47(74)57-28(7)43(70)58-34(18-20-39(56)69)46(73)63-40(26(4)5)49(76)59-33(17-19-38(55)68)45(72)60-35(52(79)80)12-10-11-21-53/h13-16,25-29,32-37,40-42,66-67,81-83,85H,9-12,17-24,53-54H2,1-8H3,(H2,55,68)(H2,56,69)(H,57,74)(H,58,70)(H,59,76)(H,60,72)(H,61,71)(H,62,77)(H,63,73)(H,64,78)(H,65,75)(H,79,80)/p+2/t27-,28-,29+,32-,33-,34-,35-,36-,37-,40-,41-,42-/m0/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O35324
Q13291
Entrez Gene ID
NCBI Entrez Gene ID:
6504
ASD
Information of known allosteric effects of PDB entries
This site has been visited
times since Nov 2007.
Copyright ©2007-2025 涓婃捣鐩堣禌鎬濅俊鎭鎶鏈夐檺鍏徃 缃戠珯澶囨鍙凤細
娌狪CP澶2021015625鍙-3
娌叕缃戝畨澶囷細
姝e湪鐢宠涓
Technical Support锛堟妧鏈敮鎸侊級:
yingsaisi@foxmail.com