Browse entries in the PDBbind-CN Database
HEADER 2M0U_COMPLEX COMPND 2M0U_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 117 GLY ILE ASP PRO PHE THR MET LEU PRO ARG LEU CYS CYS SEQRES 2 A 117 LEU GLU LYS GLY PRO ASN GLY TYR GLY PHE HIS LEU HIS SEQRES 3 A 117 GLY GLU LYS GLY LYS LEU GLY GLN TYR ILE ARG LEU VAL SEQRES 4 A 117 GLU PRO GLY SER PRO ALA GLU LYS ALA GLY LEU LEU ALA SEQRES 5 A 117 GLY ASP ARG LEU VAL GLU VAL ASN GLY GLU ASN VAL GLU SEQRES 6 A 117 LYS GLU THR HIS GLN GLN VAL VAL SER ARG ILE ARG ALA SEQRES 7 A 117 ALA LEU ASN ALA VAL ARG LEU LEU VAL VAL ASP PRO GLU SEQRES 8 A 117 THR ASP GLU GLN LEU GLN LYS LEU GLY VAL GLN VAL ARG SEQRES 9 A 117 GLU GLU LEU LEU ARG ALA GLN GLU ALA PRO GLY GLN ALA HET GLN A 118 89 ATOM 1 N GLY A 4 -25.645 -15.362 -11.220 1.00 0.00 N ATOM 2 CA GLY A 4 -24.404 -15.593 -11.996 1.00 0.00 C ATOM 3 C GLY A 4 -23.197 -15.754 -11.100 1.00 0.00 C ATOM 4 O GLY A 4 -23.335 -15.971 -9.895 1.00 0.00 O ATOM 5 HA3 GLY A 4 -24.240 -14.743 -12.659 1.00 0.00 H ATOM 6 HA2 GLY A 4 -24.524 -16.498 -12.591 1.00 0.00 H ATOM 7 HN3 GLY A 4 -25.542 -14.496 -10.654 1.00 0.00 H ATOM 8 HN2 GLY A 4 -25.814 -16.172 -10.589 1.00 0.00 H ATOM 9 HN1 GLY A 4 -26.447 -15.257 -11.874 1.00 0.00 H ATOM 10 N ILE A 5 -22.011 -15.653 -11.680 1.00 0.00 N ATOM 11 CA ILE A 5 -20.783 -15.736 -10.905 1.00 0.00 C ATOM 12 C ILE A 5 -20.239 -14.346 -10.592 1.00 0.00 C ATOM 13 O ILE A 5 -20.001 -13.531 -11.484 1.00 0.00 O ATOM 14 CB ILE A 5 -19.694 -16.580 -11.615 1.00 0.00 C ATOM 15 CG1 ILE A 5 -18.381 -16.560 -10.819 1.00 0.00 C ATOM 16 CG2 ILE A 5 -19.456 -16.088 -13.036 1.00 0.00 C ATOM 17 CD1 ILE A 5 -18.523 -17.055 -9.394 1.00 0.00 C ATOM 18 HA ILE A 5 -21.038 -16.239 -9.972 1.00 0.00 H ATOM 19 HB ILE A 5 -20.054 -17.608 -11.665 1.00 0.00 H ATOM 20 HG12 ILE A 5 -17.658 -17.193 -11.333 1.00 0.00 H ATOM 21 HG13 ILE A 5 -18.011 -15.535 -10.792 1.00 0.00 H ATOM 22 HD11 ILE A 5 -19.235 -16.425 -8.861 1.00 0.00 H ATOM 23 HD12 ILE A 5 -18.882 -18.084 -9.402 1.00 0.00 H ATOM 24 HD13 ILE A 5 -17.554 -17.011 -8.897 1.00 0.00 H ATOM 25 HG21 ILE A 5 -20.382 -16.164 -13.605 1.00 0.00 H ATOM 26 HG22 ILE A 5 -19.129 -15.049 -13.009 1.00 0.00 H ATOM 27 HG23 ILE A 5 -18.687 -16.700 -13.507 1.00 0.00 H ATOM 28 H ILE A 5 -21.957 -15.512 -12.709 1.00 0.00 H ATOM 29 N ASP A 6 -20.070 -14.078 -9.313 1.00 0.00 N ATOM 30 CA ASP A 6 -19.464 -12.841 -8.858 1.00 0.00 C ATOM 31 C ASP A 6 -17.991 -13.073 -8.532 1.00 0.00 C ATOM 32 O ASP A 6 -17.635 -14.070 -7.891 1.00 0.00 O ATOM 33 CB ASP A 6 -20.209 -12.296 -7.632 1.00 0.00 C ATOM 34 CG ASP A 6 -20.267 -13.286 -6.486 1.00 0.00 C ATOM 35 OD1 ASP A 6 -20.983 -14.300 -6.612 1.00 0.00 O ATOM 36 OD2 ASP A 6 -19.594 -13.064 -5.459 1.00 0.00 O ATOM 37 HA ASP A 6 -19.534 -12.100 -9.655 1.00 0.00 H ATOM 38 HB2 ASP A 6 -19.700 -11.395 -7.288 1.00 0.00 H ATOM 39 HB3 ASP A 6 -21.228 -12.046 -7.927 1.00 0.00 H ATOM 40 H ASP A 6 -20.381 -14.776 -8.607 1.00 0.00 H ATOM 41 N PRO A 7 -17.111 -12.180 -9.010 1.00 0.00 N ATOM 42 CA PRO A 7 -15.674 -12.255 -8.738 1.00 0.00 C ATOM 43 C PRO A 7 -15.357 -11.963 -7.275 1.00 0.00 C ATOM 44 O PRO A 7 -16.261 -11.794 -6.454 1.00 0.00 O ATOM 45 CB PRO A 7 -15.068 -11.171 -9.641 1.00 0.00 C ATOM 46 CG PRO A 7 -16.148 -10.799 -10.598 1.00 0.00 C ATOM 47 CD PRO A 7 -17.438 -11.036 -9.873 1.00 0.00 C ATOM 48 HA PRO A 7 -15.276 -13.251 -8.933 1.00 0.00 H ATOM 49 HD3 PRO A 7 -17.724 -10.166 -9.283 1.00 0.00 H ATOM 50 HD2 PRO A 7 -18.241 -11.283 -10.567 1.00 0.00 H ATOM 51 HG3 PRO A 7 -16.095 -11.421 -11.491 1.00 0.00 H ATOM 52 HG2 PRO A 7 -16.059 -9.750 -10.882 1.00 0.00 H ATOM 53 HB2 PRO A 7 -14.768 -10.306 -9.049 1.00 0.00 H ATOM 54 HB3 PRO A 7 -14.202 -11.561 -10.176 1.00 0.00 H ATOM 55 N PHE A 8 -14.075 -11.895 -6.951 1.00 0.00 N ATOM 56 CA PHE A 8 -13.650 -11.666 -5.580 1.00 0.00 C ATOM 57 C PHE A 8 -13.765 -10.187 -5.231 1.00 0.00 C ATOM 58 O PHE A 8 -12.798 -9.429 -5.339 1.00 0.00 O ATOM 59 CB PHE A 8 -12.215 -12.165 -5.374 1.00 0.00 C ATOM 60 CG PHE A 8 -11.707 -12.025 -3.962 1.00 0.00 C ATOM 61 CD1 PHE A 8 -12.372 -12.631 -2.906 1.00 0.00 C ATOM 62 CD2 PHE A 8 -10.564 -11.289 -3.695 1.00 0.00 C ATOM 63 CE1 PHE A 8 -11.905 -12.504 -1.613 1.00 0.00 C ATOM 64 CE2 PHE A 8 -10.091 -11.160 -2.403 1.00 0.00 C ATOM 65 CZ PHE A 8 -10.762 -11.770 -1.360 1.00 0.00 C ATOM 66 HA PHE A 8 -14.304 -12.227 -4.913 1.00 0.00 H ATOM 67 HB2 PHE A 8 -12.177 -13.219 -5.648 1.00 0.00 H ATOM 68 HB3 PHE A 8 -11.558 -11.596 -6.032 1.00 0.00 H ATOM 69 HD2 PHE A 8 -10.031 -10.806 -4.514 1.00 0.00 H ATOM 70 HE2 PHE A 8 -9.190 -10.578 -2.207 1.00 0.00 H ATOM 71 HZ PHE A 8 -10.390 -11.672 -0.340 1.00 0.00 H ATOM 72 HE1 PHE A 8 -12.438 -12.983 -0.792 1.00 0.00 H ATOM 73 HD1 PHE A 8 -13.273 -13.214 -3.099 1.00 0.00 H ATOM 74 H PHE A 8 -13.356 -12.008 -7.694 1.00 0.00 H ATOM 75 N THR A 9 -14.963 -9.777 -4.845 1.00 0.00 N ATOM 76 CA THR A 9 -15.199 -8.415 -4.413 1.00 0.00 C ATOM 77 C THR A 9 -14.645 -8.185 -3.020 1.00 0.00 C ATOM 78 O THR A 9 -15.347 -8.351 -2.025 1.00 0.00 O ATOM 79 CB THR A 9 -16.694 -8.067 -4.427 1.00 0.00 C ATOM 80 OG1 THR A 9 -17.461 -9.211 -4.039 1.00 0.00 O ATOM 81 CG2 THR A 9 -17.122 -7.583 -5.800 1.00 0.00 C ATOM 82 HA THR A 9 -14.683 -7.765 -5.120 1.00 0.00 H ATOM 83 HB THR A 9 -16.872 -7.261 -3.715 1.00 0.00 H ATOM 84 HG1 THR A 9 -17.197 -9.489 -3.126 1.00 0.00 H ATOM 85 HG23 THR A 9 -16.528 -6.713 -6.078 1.00 0.00 H ATOM 86 HG21 THR A 9 -16.967 -8.379 -6.529 1.00 0.00 H ATOM 87 HG22 THR A 9 -18.177 -7.312 -5.775 1.00 0.00 H ATOM 88 H THR A 9 -15.755 -10.451 -4.852 1.00 0.00 H ATOM 89 N MET A 10 -13.371 -7.836 -2.972 1.00 0.00 N ATOM 90 CA MET A 10 -12.701 -7.478 -1.733 1.00 0.00 C ATOM 91 C MET A 10 -11.331 -6.919 -2.081 1.00 0.00 C ATOM 92 O MET A 10 -10.304 -7.539 -1.821 1.00 0.00 O ATOM 93 CB MET A 10 -12.567 -8.693 -0.809 1.00 0.00 C ATOM 94 CG MET A 10 -12.255 -8.335 0.635 1.00 0.00 C ATOM 95 SD MET A 10 -13.521 -7.281 1.369 1.00 0.00 S ATOM 96 CE MET A 10 -12.975 -7.212 3.071 1.00 0.00 C ATOM 97 HA MET A 10 -13.289 -6.730 -1.200 1.00 0.00 H ATOM 98 HB2 MET A 10 -13.506 -9.247 -0.831 1.00 0.00 H ATOM 99 HB3 MET A 10 -11.764 -9.326 -1.187 1.00 0.00 H ATOM 100 HG2 MET A 10 -11.300 -7.811 0.668 1.00 0.00 H ATOM 101 HG3 MET A 10 -12.184 -9.254 1.217 1.00 0.00 H ATOM 102 HE1 MET A 10 -12.956 -8.220 3.486 1.00 0.00 H ATOM 103 HE2 MET A 10 -11.975 -6.781 3.113 1.00 0.00 H ATOM 104 HE3 MET A 10 -13.663 -6.593 3.647 1.00 0.00 H ATOM 105 H MET A 10 -12.826 -7.817 -3.857 1.00 0.00 H ATOM 106 N LEU A 11 -11.331 -5.745 -2.697 1.00 0.00 N ATOM 107 CA LEU A 11 -10.112 -5.181 -3.264 1.00 0.00 C ATOM 108 C LEU A 11 -10.058 -3.646 -3.173 1.00 0.00 C ATOM 109 O LEU A 11 -9.981 -2.967 -4.199 1.00 0.00 O ATOM 110 CB LEU A 11 -9.983 -5.624 -4.730 1.00 0.00 C ATOM 111 CG LEU A 11 -11.312 -5.878 -5.465 1.00 0.00 C ATOM 112 CD1 LEU A 11 -12.208 -4.647 -5.446 1.00 0.00 C ATOM 113 CD2 LEU A 11 -11.045 -6.312 -6.895 1.00 0.00 C ATOM 114 HA LEU A 11 -9.276 -5.557 -2.674 1.00 0.00 H ATOM 115 HB2 LEU A 11 -9.444 -4.846 -5.270 1.00 0.00 H ATOM 116 HB3 LEU A 11 -9.405 -6.548 -4.752 1.00 0.00 H ATOM 117 HG LEU A 11 -11.835 -6.677 -4.940 1.00 0.00 H ATOM 118 HD21 LEU A 11 -10.493 -5.528 -7.414 1.00 0.00 H ATOM 119 HD22 LEU A 11 -10.457 -7.230 -6.891 1.00 0.00 H ATOM 120 HD23 LEU A 11 -11.993 -6.488 -7.403 1.00 0.00 H ATOM 121 HD11 LEU A 11 -12.431 -4.378 -4.414 1.00 0.00 H ATOM 122 HD12 LEU A 11 -11.696 -3.819 -5.936 1.00 0.00 H ATOM 123 HD13 LEU A 11 -13.136 -4.866 -5.974 1.00 0.00 H ATOM 124 H LEU A 11 -12.222 -5.214 -2.778 1.00 0.00 H ATOM 125 N PRO A 12 -10.119 -3.077 -1.957 1.00 0.00 N ATOM 126 CA PRO A 12 -9.877 -1.649 -1.748 1.00 0.00 C ATOM 127 C PRO A 12 -8.564 -1.218 -2.394 1.00 0.00 C ATOM 128 O PRO A 12 -7.498 -1.738 -2.065 1.00 0.00 O ATOM 129 CB PRO A 12 -9.801 -1.516 -0.227 1.00 0.00 C ATOM 130 CG PRO A 12 -10.620 -2.646 0.288 1.00 0.00 C ATOM 131 CD PRO A 12 -10.456 -3.765 -0.706 1.00 0.00 C ATOM 132 HA PRO A 12 -10.649 -1.021 -2.192 1.00 0.00 H ATOM 133 HD3 PRO A 12 -9.653 -4.438 -0.404 1.00 0.00 H ATOM 134 HD2 PRO A 12 -11.382 -4.330 -0.811 1.00 0.00 H ATOM 135 HG3 PRO A 12 -11.667 -2.353 0.359 1.00 0.00 H ATOM 136 HG2 PRO A 12 -10.263 -2.956 1.270 1.00 0.00 H ATOM 137 HB2 PRO A 12 -8.770 -1.600 0.116 1.00 0.00 H ATOM 138 HB3 PRO A 12 -10.214 -0.561 0.098 1.00 0.00 H ATOM 139 N ARG A 13 -8.653 -0.285 -3.322 1.00 0.00 N ATOM 140 CA ARG A 13 -7.504 0.111 -4.113 1.00 0.00 C ATOM 141 C ARG A 13 -6.701 1.191 -3.409 1.00 0.00 C ATOM 142 O ARG A 13 -7.249 2.191 -2.940 1.00 0.00 O ATOM 143 CB ARG A 13 -7.958 0.575 -5.499 1.00 0.00 C ATOM 144 CG ARG A 13 -9.310 1.266 -5.486 1.00 0.00 C ATOM 145 CD ARG A 13 -9.801 1.582 -6.886 1.00 0.00 C ATOM 146 NE ARG A 13 -11.248 1.781 -6.905 1.00 0.00 N ATOM 147 CZ ARG A 13 -11.843 2.960 -6.757 1.00 0.00 C ATOM 148 NH1 ARG A 13 -11.120 4.063 -6.651 1.00 0.00 N ATOM 149 NH2 ARG A 13 -13.166 3.040 -6.738 1.00 0.00 N ATOM 150 HA ARG A 13 -6.851 -0.753 -4.234 1.00 0.00 H ATOM 151 HB2 ARG A 13 -7.217 1.271 -5.892 1.00 0.00 H ATOM 152 HB3 ARG A 13 -8.020 -0.295 -6.153 1.00 0.00 H ATOM 153 HG2 ARG A 13 -10.034 0.614 -4.998 1.00 0.00 H ATOM 154 HG3 ARG A 13 -9.225 2.196 -4.925 1.00 0.00 H ATOM 155 HD2 ARG A 13 -9.547 0.754 -7.548 1.00 0.00 H ATOM 156 HD3 ARG A 13 -9.312 2.490 -7.238 1.00 0.00 H ATOM 157 HE ARG A 13 -11.852 0.946 -7.043 1.00 0.00 H ATOM 158 HH12 ARG A 13 -11.590 4.984 -6.535 1.00 0.00 H ATOM 159 HH11 ARG A 13 -10.082 4.009 -6.683 1.00 0.00 H ATOM 160 HH22 ARG A 13 -13.629 3.964 -6.622 1.00 0.00 H ATOM 161 HH21 ARG A 13 -13.741 2.179 -6.839 1.00 0.00 H ATOM 162 H ARG A 13 -9.569 0.178 -3.490 1.00 0.00 H ATOM 163 N LEU A 14 -5.402 0.962 -3.317 1.00 0.00 N ATOM 164 CA LEU A 14 -4.502 1.917 -2.706 1.00 0.00 C ATOM 165 C LEU A 14 -3.948 2.853 -3.766 1.00 0.00 C ATOM 166 O LEU A 14 -3.239 2.428 -4.680 1.00 0.00 O ATOM 167 CB LEU A 14 -3.358 1.201 -1.992 1.00 0.00 C ATOM 168 CG LEU A 14 -2.459 2.097 -1.142 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.224 2.626 0.062 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.218 1.337 -0.704 1.00 0.00 C ATOM 171 HA LEU A 14 -5.058 2.496 -1.969 1.00 0.00 H ATOM 172 HB2 LEU A 14 -3.790 0.441 -1.341 1.00 0.00 H ATOM 173 HB3 LEU A 14 -2.737 0.720 -2.748 1.00 0.00 H ATOM 174 HG LEU A 14 -2.142 2.948 -1.745 1.00 0.00 H ATOM 175 HD21 LEU A 14 -1.514 0.469 -0.115 1.00 0.00 H ATOM 176 HD22 LEU A 14 -0.665 1.009 -1.584 1.00 0.00 H ATOM 177 HD23 LEU A 14 -0.588 1.990 -0.099 1.00 0.00 H ATOM 178 HD11 LEU A 14 -4.082 3.205 -0.280 1.00 0.00 H ATOM 179 HD12 LEU A 14 -3.568 1.789 0.669 1.00 0.00 H ATOM 180 HD13 LEU A 14 -2.568 3.262 0.656 1.00 0.00 H ATOM 181 H LEU A 14 -5.017 0.072 -3.694 1.00 0.00 H ATOM 182 N CYS A 15 -4.286 4.114 -3.644 1.00 0.00 N ATOM 183 CA CYS A 15 -3.857 5.112 -4.596 1.00 0.00 C ATOM 184 C CYS A 15 -2.779 5.998 -3.987 1.00 0.00 C ATOM 185 O CYS A 15 -3.050 6.779 -3.078 1.00 0.00 O ATOM 186 CB CYS A 15 -5.059 5.956 -5.018 1.00 0.00 C ATOM 187 SG CYS A 15 -6.409 4.997 -5.737 1.00 0.00 S ATOM 188 HA CYS A 15 -3.437 4.616 -5.471 1.00 0.00 H ATOM 189 HB2 CYS A 15 -4.725 6.685 -5.756 1.00 0.00 H ATOM 190 HB3 CYS A 15 -5.438 6.478 -4.139 1.00 0.00 H ATOM 191 HG CYS A 15 -5.955 4.339 -6.862 1.00 0.00 H ATOM 192 H CYS A 15 -4.879 4.403 -2.840 1.00 0.00 H ATOM 193 N CYS A 16 -1.552 5.861 -4.464 1.00 0.00 N ATOM 194 CA CYS A 16 -0.483 6.736 -4.021 1.00 0.00 C ATOM 195 C CYS A 16 -0.572 8.064 -4.761 1.00 0.00 C ATOM 196 O CYS A 16 -0.248 8.153 -5.946 1.00 0.00 O ATOM 197 CB CYS A 16 0.879 6.072 -4.244 1.00 0.00 C ATOM 198 SG CYS A 16 1.038 5.224 -5.835 1.00 0.00 S ATOM 199 HA CYS A 16 -0.590 6.924 -2.953 1.00 0.00 H ATOM 200 HB2 CYS A 16 1.038 5.343 -3.450 1.00 0.00 H ATOM 201 HB3 CYS A 16 1.648 6.842 -4.188 1.00 0.00 H ATOM 202 HG CYS A 16 0.856 6.132 -6.858 1.00 0.00 H ATOM 203 H CYS A 16 -1.352 5.118 -5.164 1.00 0.00 H ATOM 204 N LEU A 17 -1.022 9.093 -4.059 1.00 0.00 N ATOM 205 CA LEU A 17 -1.225 10.396 -4.668 1.00 0.00 C ATOM 206 C LEU A 17 0.025 11.253 -4.540 1.00 0.00 C ATOM 207 O LEU A 17 0.586 11.408 -3.451 1.00 0.00 O ATOM 208 CB LEU A 17 -2.440 11.113 -4.063 1.00 0.00 C ATOM 209 CG LEU A 17 -3.786 10.810 -4.734 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.173 9.354 -4.567 1.00 0.00 C ATOM 211 CD2 LEU A 17 -4.869 11.706 -4.167 1.00 0.00 C ATOM 212 HA LEU A 17 -1.426 10.238 -5.728 1.00 0.00 H ATOM 213 HB2 LEU A 17 -2.514 10.823 -3.015 1.00 0.00 H ATOM 214 HB3 LEU A 17 -2.265 12.187 -4.130 1.00 0.00 H ATOM 215 HG LEU A 17 -3.679 11.009 -5.800 1.00 0.00 H ATOM 216 HD21 LEU A 17 -4.958 11.532 -3.095 1.00 0.00 H ATOM 217 HD22 LEU A 17 -4.607 12.749 -4.347 1.00 0.00 H ATOM 218 HD23 LEU A 17 -5.818 11.479 -4.653 1.00 0.00 H ATOM 219 HD11 LEU A 17 -3.410 8.722 -5.021 1.00 0.00 H ATOM 220 HD12 LEU A 17 -4.255 9.121 -3.505 1.00 0.00 H ATOM 221 HD13 LEU A 17 -5.131 9.176 -5.055 1.00 0.00 H ATOM 222 H LEU A 17 -1.235 8.965 -3.049 1.00 0.00 H ATOM 223 N GLU A 18 0.455 11.784 -5.671 1.00 0.00 N ATOM 224 CA GLU A 18 1.640 12.621 -5.744 1.00 0.00 C ATOM 225 C GLU A 18 1.290 14.077 -5.488 1.00 0.00 C ATOM 226 O GLU A 18 0.253 14.565 -5.943 1.00 0.00 O ATOM 227 CB GLU A 18 2.278 12.497 -7.127 1.00 0.00 C ATOM 228 CG GLU A 18 2.944 11.159 -7.387 1.00 0.00 C ATOM 229 CD GLU A 18 4.270 11.025 -6.670 1.00 0.00 C ATOM 230 OE1 GLU A 18 5.209 11.777 -7.014 1.00 0.00 O ATOM 231 OE2 GLU A 18 4.393 10.150 -5.792 1.00 0.00 O ATOM 232 HA GLU A 18 2.341 12.286 -4.979 1.00 0.00 H ATOM 233 HB2 GLU A 18 1.501 12.644 -7.877 1.00 0.00 H ATOM 234 HB3 GLU A 18 3.031 13.279 -7.228 1.00 0.00 H ATOM 235 HG2 GLU A 18 2.280 10.365 -7.046 1.00 0.00 H ATOM 236 HG3 GLU A 18 3.113 11.054 -8.459 1.00 0.00 H ATOM 237 H GLU A 18 -0.077 11.595 -6.545 1.00 0.00 H ATOM 238 N LYS A 19 2.152 14.757 -4.750 1.00 0.00 N ATOM 239 CA LYS A 19 2.025 16.189 -4.548 1.00 0.00 C ATOM 240 C LYS A 19 2.270 16.922 -5.860 1.00 0.00 C ATOM 241 O LYS A 19 3.413 17.076 -6.300 1.00 0.00 O ATOM 242 CB LYS A 19 3.013 16.664 -3.476 1.00 0.00 C ATOM 243 CG LYS A 19 3.034 18.171 -3.256 1.00 0.00 C ATOM 244 CD LYS A 19 1.704 18.696 -2.735 1.00 0.00 C ATOM 245 CE LYS A 19 1.255 17.964 -1.479 1.00 0.00 C ATOM 246 NZ LYS A 19 2.326 17.899 -0.444 1.00 0.00 N ATOM 247 HA LYS A 19 1.014 16.410 -4.206 1.00 0.00 H ATOM 248 HB2 LYS A 19 2.748 16.186 -2.533 1.00 0.00 H ATOM 249 HB3 LYS A 19 4.014 16.349 -3.772 1.00 0.00 H ATOM 250 HG2 LYS A 19 3.813 18.409 -2.532 1.00 0.00 H ATOM 251 HG3 LYS A 19 3.258 18.661 -4.204 1.00 0.00 H ATOM 252 HD2 LYS A 19 1.809 19.756 -2.506 1.00 0.00 H ATOM 253 HD3 LYS A 19 0.947 18.566 -3.508 1.00 0.00 H ATOM 254 HE2 LYS A 19 0.968 16.948 -1.750 1.00 0.00 H ATOM 255 HE3 LYS A 19 0.394 18.484 -1.060 1.00 0.00 H ATOM 256 HZ1 LYS A 19 3.150 17.397 -0.831 1.00 0.00 H ATOM 257 HZ2 LYS A 19 2.603 18.864 -0.172 1.00 0.00 H ATOM 258 HZ3 LYS A 19 1.970 17.391 0.391 1.00 0.00 H ATOM 259 H LYS A 19 2.943 14.252 -4.302 1.00 0.00 H ATOM 260 N GLY A 20 1.185 17.352 -6.484 1.00 0.00 N ATOM 261 CA GLY A 20 1.277 18.068 -7.738 1.00 0.00 C ATOM 262 C GLY A 20 1.633 19.525 -7.537 1.00 0.00 C ATOM 263 O GLY A 20 2.560 19.838 -6.790 1.00 0.00 O ATOM 264 HA3 GLY A 20 0.316 18.008 -8.249 1.00 0.00 H ATOM 265 HA2 GLY A 20 2.044 17.600 -8.355 1.00 0.00 H ATOM 266 H GLY A 20 0.250 17.172 -6.066 1.00 0.00 H ATOM 267 N PRO A 21 0.902 20.444 -8.183 1.00 0.00 N ATOM 268 CA PRO A 21 1.170 21.885 -8.089 1.00 0.00 C ATOM 269 C PRO A 21 1.103 22.401 -6.652 1.00 0.00 C ATOM 270 O PRO A 21 2.069 22.970 -6.140 1.00 0.00 O ATOM 271 CB PRO A 21 0.060 22.518 -8.938 1.00 0.00 C ATOM 272 CG PRO A 21 -0.396 21.430 -9.848 1.00 0.00 C ATOM 273 CD PRO A 21 -0.235 20.153 -9.074 1.00 0.00 C ATOM 274 HA PRO A 21 2.176 22.129 -8.431 1.00 0.00 H ATOM 275 HD3 PRO A 21 -1.134 19.926 -8.501 1.00 0.00 H ATOM 276 HD2 PRO A 21 -0.009 19.318 -9.738 1.00 0.00 H ATOM 277 HG3 PRO A 21 0.216 21.407 -10.749 1.00 0.00 H ATOM 278 HG2 PRO A 21 -1.440 21.578 -10.123 1.00 0.00 H ATOM 279 HB2 PRO A 21 -0.760 22.858 -8.306 1.00 0.00 H ATOM 280 HB3 PRO A 21 0.448 23.360 -9.511 1.00 0.00 H ATOM 281 N ASN A 22 -0.031 22.190 -5.999 1.00 0.00 N ATOM 282 CA ASN A 22 -0.235 22.693 -4.643 1.00 0.00 C ATOM 283 C ASN A 22 -1.124 21.748 -3.841 1.00 0.00 C ATOM 284 O ASN A 22 -1.760 22.151 -2.868 1.00 0.00 O ATOM 285 CB ASN A 22 -0.853 24.100 -4.688 1.00 0.00 C ATOM 286 CG ASN A 22 -2.252 24.118 -5.280 1.00 0.00 C ATOM 287 OD1 ASN A 22 -2.423 24.133 -6.499 1.00 0.00 O ATOM 288 ND2 ASN A 22 -3.261 24.139 -4.423 1.00 0.00 N ATOM 289 HA ASN A 22 0.734 22.749 -4.148 1.00 0.00 H ATOM 290 HB2 ASN A 22 -0.901 24.491 -3.672 1.00 0.00 H ATOM 291 HB3 ASN A 22 -0.212 24.742 -5.293 1.00 0.00 H ATOM 292 HD22 ASN A 22 -3.075 24.125 -3.400 1.00 0.00 H ATOM 293 HD21 ASN A 22 -4.240 24.169 -4.773 1.00 0.00 H ATOM 294 H ASN A 22 -0.792 21.654 -6.462 1.00 0.00 H ATOM 295 N GLY A 23 -1.132 20.483 -4.234 1.00 0.00 N ATOM 296 CA GLY A 23 -2.013 19.518 -3.618 1.00 0.00 C ATOM 297 C GLY A 23 -2.093 18.245 -4.428 1.00 0.00 C ATOM 298 O GLY A 23 -1.087 17.805 -4.987 1.00 0.00 O ATOM 299 HA3 GLY A 23 -3.011 19.950 -3.537 1.00 0.00 H ATOM 300 HA2 GLY A 23 -1.639 19.281 -2.622 1.00 0.00 H ATOM 301 H GLY A 23 -0.494 20.180 -4.998 1.00 0.00 H ATOM 302 N TYR A 24 -3.278 17.658 -4.512 1.00 0.00 N ATOM 303 CA TYR A 24 -3.439 16.376 -5.186 1.00 0.00 C ATOM 304 C TYR A 24 -4.506 16.447 -6.274 1.00 0.00 C ATOM 305 O TYR A 24 -4.460 15.692 -7.241 1.00 0.00 O ATOM 306 CB TYR A 24 -3.767 15.289 -4.165 1.00 0.00 C ATOM 307 CG TYR A 24 -2.761 15.244 -3.041 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.512 14.669 -3.229 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.043 15.810 -1.807 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.574 14.653 -2.218 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.113 15.795 -0.787 1.00 0.00 C ATOM 312 CZ TYR A 24 -0.879 15.217 -0.999 1.00 0.00 C ATOM 313 OH TYR A 24 0.051 15.211 0.013 1.00 0.00 O ATOM 314 HA TYR A 24 -2.498 16.125 -5.675 1.00 0.00 H ATOM 315 HB3 TYR A 24 -3.774 14.323 -4.670 1.00 0.00 H ATOM 316 HB2 TYR A 24 -4.754 15.486 -3.746 1.00 0.00 H ATOM 317 HD2 TYR A 24 -4.015 16.274 -1.640 1.00 0.00 H ATOM 318 HE2 TYR A 24 -2.353 16.237 0.180 1.00 0.00 H ATOM 319 HE1 TYR A 24 0.402 14.197 -2.383 1.00 0.00 H ATOM 320 HD1 TYR A 24 -1.268 14.222 -4.193 1.00 0.00 H ATOM 321 HH TYR A 24 -0.315 14.724 0.793 1.00 0.00 H ATOM 322 H TYR A 24 -4.108 18.121 -4.089 1.00 0.00 H ATOM 323 N GLY A 25 -5.464 17.347 -6.104 1.00 0.00 N ATOM 324 CA GLY A 25 -6.380 17.668 -7.178 1.00 0.00 C ATOM 325 C GLY A 25 -7.734 16.989 -7.072 1.00 0.00 C ATOM 326 O GLY A 25 -8.291 16.560 -8.081 1.00 0.00 O ATOM 327 HA3 GLY A 25 -5.920 17.367 -8.120 1.00 0.00 H ATOM 328 HA2 GLY A 25 -6.538 18.746 -7.180 1.00 0.00 H ATOM 329 H GLY A 25 -5.559 17.829 -5.187 1.00 0.00 H ATOM 330 N PHE A 26 -8.276 16.879 -5.870 1.00 0.00 N ATOM 331 CA PHE A 26 -9.635 16.395 -5.720 1.00 0.00 C ATOM 332 C PHE A 26 -10.360 17.154 -4.621 1.00 0.00 C ATOM 333 O PHE A 26 -9.740 17.754 -3.743 1.00 0.00 O ATOM 334 CB PHE A 26 -9.671 14.882 -5.461 1.00 0.00 C ATOM 335 CG PHE A 26 -8.964 14.431 -4.215 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.581 14.446 -4.138 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.684 13.973 -3.128 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.933 14.014 -2.999 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.040 13.534 -1.988 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.663 13.557 -1.924 1.00 0.00 C ATOM 341 HA PHE A 26 -10.156 16.577 -6.660 1.00 0.00 H ATOM 342 HB2 PHE A 26 -10.715 14.577 -5.386 1.00 0.00 H ATOM 343 HB3 PHE A 26 -9.208 14.383 -6.312 1.00 0.00 H ATOM 344 HD2 PHE A 26 -10.773 13.958 -3.171 1.00 0.00 H ATOM 345 HE2 PHE A 26 -9.620 13.170 -1.140 1.00 0.00 H ATOM 346 HZ PHE A 26 -7.153 13.214 -1.024 1.00 0.00 H ATOM 347 HE1 PHE A 26 -5.844 14.034 -2.950 1.00 0.00 H ATOM 348 HD1 PHE A 26 -6.998 14.803 -4.987 1.00 0.00 H ATOM 349 H PHE A 26 -7.725 17.141 -5.028 1.00 0.00 H ATOM 350 N HIS A 27 -11.676 17.149 -4.708 1.00 0.00 N ATOM 351 CA HIS A 27 -12.521 17.808 -3.730 1.00 0.00 C ATOM 352 C HIS A 27 -13.205 16.739 -2.903 1.00 0.00 C ATOM 353 O HIS A 27 -13.959 15.934 -3.441 1.00 0.00 O ATOM 354 CB HIS A 27 -13.587 18.685 -4.413 1.00 0.00 C ATOM 355 CG HIS A 27 -13.037 19.785 -5.278 1.00 0.00 C ATOM 356 ND1 HIS A 27 -13.471 21.092 -5.209 1.00 0.00 N ATOM 357 CD2 HIS A 27 -12.102 19.759 -6.260 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.828 21.815 -6.104 1.00 0.00 C ATOM 359 NE2 HIS A 27 -11.993 21.031 -6.754 1.00 0.00 N ATOM 360 HA HIS A 27 -11.906 18.455 -3.104 1.00 0.00 H ATOM 361 HB2 HIS A 27 -14.208 18.041 -5.036 1.00 0.00 H ATOM 362 HB3 HIS A 27 -14.202 19.139 -3.636 1.00 0.00 H ATOM 363 HD2 HIS A 27 -11.541 18.886 -6.594 1.00 0.00 H ATOM 364 HE1 HIS A 27 -12.964 22.882 -6.277 1.00 0.00 H ATOM 365 H HIS A 27 -12.124 16.655 -5.506 1.00 0.00 H ATOM 366 N LEU A 28 -12.926 16.706 -1.615 1.00 0.00 N ATOM 367 CA LEU A 28 -13.512 15.698 -0.751 1.00 0.00 C ATOM 368 C LEU A 28 -14.667 16.304 0.034 1.00 0.00 C ATOM 369 O LEU A 28 -14.530 17.379 0.620 1.00 0.00 O ATOM 370 CB LEU A 28 -12.439 15.122 0.188 1.00 0.00 C ATOM 371 CG LEU A 28 -12.834 13.865 0.980 1.00 0.00 C ATOM 372 CD1 LEU A 28 -11.599 13.049 1.323 1.00 0.00 C ATOM 373 CD2 LEU A 28 -13.573 14.236 2.257 1.00 0.00 C ATOM 374 HA LEU A 28 -13.903 14.880 -1.356 1.00 0.00 H ATOM 375 HB2 LEU A 28 -11.566 14.874 -0.416 1.00 0.00 H ATOM 376 HB3 LEU A 28 -12.174 15.898 0.906 1.00 0.00 H ATOM 377 HG LEU A 28 -13.498 13.269 0.355 1.00 0.00 H ATOM 378 HD21 LEU A 28 -12.929 14.855 2.881 1.00 0.00 H ATOM 379 HD22 LEU A 28 -14.477 14.789 2.004 1.00 0.00 H ATOM 380 HD23 LEU A 28 -13.840 13.328 2.797 1.00 0.00 H ATOM 381 HD11 LEU A 28 -11.097 12.748 0.403 1.00 0.00 H ATOM 382 HD12 LEU A 28 -10.922 13.653 1.927 1.00 0.00 H ATOM 383 HD13 LEU A 28 -11.895 12.162 1.884 1.00 0.00 H ATOM 384 H LEU A 28 -12.277 17.412 -1.213 1.00 0.00 H ATOM 385 N HIS A 29 -15.804 15.623 0.030 1.00 0.00 N ATOM 386 CA HIS A 29 -16.954 16.079 0.791 1.00 0.00 C ATOM 387 C HIS A 29 -17.151 15.161 1.982 1.00 0.00 C ATOM 388 O HIS A 29 -17.001 13.941 1.872 1.00 0.00 O ATOM 389 CB HIS A 29 -18.234 16.143 -0.067 1.00 0.00 C ATOM 390 CG HIS A 29 -18.945 14.830 -0.283 1.00 0.00 C ATOM 391 ND1 HIS A 29 -19.985 14.402 0.517 1.00 0.00 N ATOM 392 CD2 HIS A 29 -18.783 13.873 -1.226 1.00 0.00 C ATOM 393 CE1 HIS A 29 -20.430 13.240 0.075 1.00 0.00 C ATOM 394 NE2 HIS A 29 -19.721 12.899 -0.984 1.00 0.00 N ATOM 395 HA HIS A 29 -16.759 17.096 1.133 1.00 0.00 H ATOM 396 HB2 HIS A 29 -18.931 16.825 0.421 1.00 0.00 H ATOM 397 HB3 HIS A 29 -17.962 16.541 -1.045 1.00 0.00 H ATOM 398 HD2 HIS A 29 -18.045 13.875 -2.028 1.00 0.00 H ATOM 399 HE1 HIS A 29 -21.244 12.661 0.511 1.00 0.00 H ATOM 400 H HIS A 29 -15.874 14.748 -0.527 1.00 0.00 H ATOM 401 N GLY A 30 -17.469 15.741 3.113 1.00 0.00 N ATOM 402 CA GLY A 30 -17.622 14.961 4.307 1.00 0.00 C ATOM 403 C GLY A 30 -18.854 15.354 5.067 1.00 0.00 C ATOM 404 O GLY A 30 -19.197 16.537 5.140 1.00 0.00 O ATOM 405 HA3 GLY A 30 -16.750 15.112 4.943 1.00 0.00 H ATOM 406 HA2 GLY A 30 -17.694 13.908 4.035 1.00 0.00 H ATOM 407 H GLY A 30 -17.611 16.771 3.145 1.00 0.00 H ATOM 408 N GLU A 31 -19.521 14.373 5.629 1.00 0.00 N ATOM 409 CA GLU A 31 -20.699 14.638 6.417 1.00 0.00 C ATOM 410 C GLU A 31 -20.254 15.068 7.804 1.00 0.00 C ATOM 411 O GLU A 31 -19.249 14.570 8.319 1.00 0.00 O ATOM 412 CB GLU A 31 -21.590 13.399 6.470 1.00 0.00 C ATOM 413 CG GLU A 31 -21.922 12.837 5.091 1.00 0.00 C ATOM 414 CD GLU A 31 -22.524 13.873 4.154 1.00 0.00 C ATOM 415 OE1 GLU A 31 -23.718 14.204 4.316 1.00 0.00 O ATOM 416 OE2 GLU A 31 -21.810 14.357 3.248 1.00 0.00 O ATOM 417 HA GLU A 31 -21.289 15.436 5.967 1.00 0.00 H ATOM 418 HB2 GLU A 31 -21.077 12.628 7.044 1.00 0.00 H ATOM 419 HB3 GLU A 31 -22.522 13.663 6.970 1.00 0.00 H ATOM 420 HG2 GLU A 31 -21.006 12.454 4.642 1.00 0.00 H ATOM 421 HG3 GLU A 31 -22.635 12.021 5.211 1.00 0.00 H ATOM 422 H GLU A 31 -19.196 13.393 5.504 1.00 0.00 H ATOM 423 N LYS A 32 -20.978 16.004 8.390 1.00 0.00 N ATOM 424 CA LYS A 32 -20.532 16.671 9.605 1.00 0.00 C ATOM 425 C LYS A 32 -20.728 15.804 10.847 1.00 0.00 C ATOM 426 O LYS A 32 -21.506 16.129 11.744 1.00 0.00 O ATOM 427 CB LYS A 32 -21.241 18.019 9.741 1.00 0.00 C ATOM 428 CG LYS A 32 -20.866 18.995 8.632 1.00 0.00 C ATOM 429 CD LYS A 32 -21.650 20.296 8.716 1.00 0.00 C ATOM 430 CE LYS A 32 -23.131 20.075 8.452 1.00 0.00 C ATOM 431 NZ LYS A 32 -23.896 21.350 8.466 1.00 0.00 N ATOM 432 HA LYS A 32 -19.459 16.843 9.524 1.00 0.00 H ATOM 433 HB2 LYS A 32 -22.318 17.852 9.710 1.00 0.00 H ATOM 434 HB3 LYS A 32 -20.971 18.460 10.700 1.00 0.00 H ATOM 435 HG2 LYS A 32 -19.802 19.221 8.709 1.00 0.00 H ATOM 436 HG3 LYS A 32 -21.068 18.526 7.669 1.00 0.00 H ATOM 437 HD2 LYS A 32 -21.527 20.720 9.713 1.00 0.00 H ATOM 438 HD3 LYS A 32 -21.259 20.994 7.976 1.00 0.00 H ATOM 439 HE2 LYS A 32 -23.531 19.416 9.222 1.00 0.00 H ATOM 440 HE3 LYS A 32 -23.248 19.605 7.476 1.00 0.00 H ATOM 441 HZ1 LYS A 32 -23.796 21.803 9.397 1.00 0.00 H ATOM 442 HZ2 LYS A 32 -23.525 21.983 7.729 1.00 0.00 H ATOM 443 HZ3 LYS A 32 -24.900 21.152 8.282 1.00 0.00 H ATOM 444 H LYS A 32 -21.892 16.272 7.972 1.00 0.00 H ATOM 445 N GLY A 33 -20.005 14.697 10.872 1.00 0.00 N ATOM 446 CA GLY A 33 -19.947 13.837 12.032 1.00 0.00 C ATOM 447 C GLY A 33 -18.542 13.310 12.217 1.00 0.00 C ATOM 448 O GLY A 33 -17.662 14.033 12.682 1.00 0.00 O ATOM 449 HA3 GLY A 33 -20.632 13.000 11.895 1.00 0.00 H ATOM 450 HA2 GLY A 33 -20.240 14.403 12.916 1.00 0.00 H ATOM 451 H GLY A 33 -19.459 14.436 10.027 1.00 0.00 H ATOM 452 N LYS A 34 -18.318 12.064 11.831 1.00 0.00 N ATOM 453 CA LYS A 34 -16.978 11.496 11.814 1.00 0.00 C ATOM 454 C LYS A 34 -16.813 10.618 10.595 1.00 0.00 C ATOM 455 O LYS A 34 -16.120 10.971 9.639 1.00 0.00 O ATOM 456 CB LYS A 34 -16.697 10.674 13.074 1.00 0.00 C ATOM 457 CG LYS A 34 -16.379 11.508 14.294 1.00 0.00 C ATOM 458 CD LYS A 34 -15.920 10.635 15.450 1.00 0.00 C ATOM 459 CE LYS A 34 -15.250 11.458 16.537 1.00 0.00 C ATOM 460 NZ LYS A 34 -14.038 12.156 16.025 1.00 0.00 N ATOM 461 HA LYS A 34 -16.266 12.321 11.782 1.00 0.00 H ATOM 462 HB2 LYS A 34 -17.577 10.069 13.292 1.00 0.00 H ATOM 463 HB3 LYS A 34 -15.848 10.020 12.875 1.00 0.00 H ATOM 464 HG2 LYS A 34 -15.588 12.215 14.046 1.00 0.00 H ATOM 465 HG3 LYS A 34 -17.273 12.055 14.594 1.00 0.00 H ATOM 466 HD2 LYS A 34 -16.785 10.125 15.874 1.00 0.00 H ATOM 467 HD3 LYS A 34 -15.211 9.896 15.077 1.00 0.00 H ATOM 468 HE2 LYS A 34 -14.960 10.797 17.354 1.00 0.00 H ATOM 469 HE3 LYS A 34 -15.957 12.201 16.906 1.00 0.00 H ATOM 470 HZ1 LYS A 34 -13.356 11.453 15.676 1.00 0.00 H ATOM 471 HZ2 LYS A 34 -14.308 12.793 15.249 1.00 0.00 H ATOM 472 HZ3 LYS A 34 -13.607 12.708 16.794 1.00 0.00 H ATOM 473 H LYS A 34 -19.121 11.475 11.532 1.00 0.00 H ATOM 474 N LEU A 35 -17.483 9.486 10.625 1.00 0.00 N ATOM 475 CA LEU A 35 -17.385 8.519 9.555 1.00 0.00 C ATOM 476 C LEU A 35 -18.295 8.892 8.403 1.00 0.00 C ATOM 477 O LEU A 35 -19.520 8.943 8.540 1.00 0.00 O ATOM 478 CB LEU A 35 -17.706 7.117 10.062 1.00 0.00 C ATOM 479 CG LEU A 35 -16.719 6.577 11.090 1.00 0.00 C ATOM 480 CD1 LEU A 35 -17.125 6.962 12.504 1.00 0.00 C ATOM 481 CD2 LEU A 35 -16.583 5.074 10.948 1.00 0.00 C ATOM 482 HA LEU A 35 -16.358 8.524 9.190 1.00 0.00 H ATOM 483 HB2 LEU A 35 -18.696 7.137 10.518 1.00 0.00 H ATOM 484 HB3 LEU A 35 -17.714 6.439 9.208 1.00 0.00 H ATOM 485 HG LEU A 35 -15.746 7.030 10.899 1.00 0.00 H ATOM 486 HD21 LEU A 35 -17.555 4.606 11.106 1.00 0.00 H ATOM 487 HD22 LEU A 35 -16.222 4.836 9.947 1.00 0.00 H ATOM 488 HD23 LEU A 35 -15.875 4.703 11.689 1.00 0.00 H ATOM 489 HD11 LEU A 35 -17.155 8.048 12.589 1.00 0.00 H ATOM 490 HD12 LEU A 35 -18.111 6.552 12.722 1.00 0.00 H ATOM 491 HD13 LEU A 35 -16.399 6.561 13.211 1.00 0.00 H ATOM 492 H LEU A 35 -18.098 9.282 11.438 1.00 0.00 H ATOM 493 N GLY A 36 -17.680 9.149 7.267 1.00 0.00 N ATOM 494 CA GLY A 36 -18.423 9.551 6.089 1.00 0.00 C ATOM 495 C GLY A 36 -17.664 10.553 5.247 1.00 0.00 C ATOM 496 O GLY A 36 -18.118 11.679 5.046 1.00 0.00 O ATOM 497 HA3 GLY A 36 -19.365 10.000 6.404 1.00 0.00 H ATOM 498 HA2 GLY A 36 -18.627 8.667 5.484 1.00 0.00 H ATOM 499 H GLY A 36 -16.645 9.062 7.214 1.00 0.00 H ATOM 500 N GLN A 37 -16.501 10.143 4.762 1.00 0.00 N ATOM 501 CA GLN A 37 -15.686 10.994 3.906 1.00 0.00 C ATOM 502 C GLN A 37 -15.673 10.429 2.488 1.00 0.00 C ATOM 503 O GLN A 37 -15.205 9.311 2.263 1.00 0.00 O ATOM 504 CB GLN A 37 -14.258 11.082 4.449 1.00 0.00 C ATOM 505 CG GLN A 37 -14.179 11.350 5.949 1.00 0.00 C ATOM 506 CD GLN A 37 -14.816 12.666 6.363 1.00 0.00 C ATOM 507 OE1 GLN A 37 -14.824 13.643 5.608 1.00 0.00 O ATOM 508 NE2 GLN A 37 -15.348 12.704 7.574 1.00 0.00 N ATOM 509 HA GLN A 37 -16.113 11.997 3.891 1.00 0.00 H ATOM 510 HB2 GLN A 37 -13.754 10.138 4.242 1.00 0.00 H ATOM 511 HB3 GLN A 37 -13.742 11.889 3.929 1.00 0.00 H ATOM 512 HG2 GLN A 37 -14.688 10.540 6.472 1.00 0.00 H ATOM 513 HG3 GLN A 37 -13.129 11.367 6.242 1.00 0.00 H ATOM 514 HE22 GLN A 37 -15.321 11.860 8.180 1.00 0.00 H ATOM 515 HE21 GLN A 37 -15.793 13.578 7.919 1.00 0.00 H ATOM 516 H GLN A 37 -16.161 9.189 4.999 1.00 0.00 H ATOM 517 N TYR A 38 -16.193 11.196 1.539 1.00 0.00 N ATOM 518 CA TYR A 38 -16.337 10.728 0.164 1.00 0.00 C ATOM 519 C TYR A 38 -15.784 11.762 -0.808 1.00 0.00 C ATOM 520 O TYR A 38 -15.788 12.958 -0.524 1.00 0.00 O ATOM 521 CB TYR A 38 -17.815 10.461 -0.158 1.00 0.00 C ATOM 522 CG TYR A 38 -18.468 9.410 0.717 1.00 0.00 C ATOM 523 CD1 TYR A 38 -18.973 9.731 1.971 1.00 0.00 C ATOM 524 CD2 TYR A 38 -18.579 8.095 0.286 1.00 0.00 C ATOM 525 CE1 TYR A 38 -19.569 8.775 2.771 1.00 0.00 C ATOM 526 CE2 TYR A 38 -19.176 7.133 1.078 1.00 0.00 C ATOM 527 CZ TYR A 38 -19.665 7.476 2.322 1.00 0.00 C ATOM 528 OH TYR A 38 -20.249 6.517 3.118 1.00 0.00 O ATOM 529 HA TYR A 38 -15.775 9.800 0.058 1.00 0.00 H ATOM 530 HB3 TYR A 38 -17.884 10.132 -1.195 1.00 0.00 H ATOM 531 HB2 TYR A 38 -18.364 11.395 -0.037 1.00 0.00 H ATOM 532 HD2 TYR A 38 -18.189 7.817 -0.693 1.00 0.00 H ATOM 533 HE2 TYR A 38 -19.260 6.106 0.721 1.00 0.00 H ATOM 534 HE1 TYR A 38 -19.961 9.047 3.751 1.00 0.00 H ATOM 535 HD1 TYR A 38 -18.898 10.757 2.331 1.00 0.00 H ATOM 536 HH TYR A 38 -20.542 6.930 3.969 1.00 0.00 H ATOM 537 H TYR A 38 -16.507 12.157 1.781 1.00 0.00 H ATOM 538 N ILE A 39 -15.309 11.301 -1.956 1.00 0.00 N ATOM 539 CA ILE A 39 -14.789 12.202 -2.975 1.00 0.00 C ATOM 540 C ILE A 39 -15.944 12.848 -3.728 1.00 0.00 C ATOM 541 O ILE A 39 -16.862 12.168 -4.186 1.00 0.00 O ATOM 542 CB ILE A 39 -13.854 11.481 -3.972 1.00 0.00 C ATOM 543 CG1 ILE A 39 -12.814 10.642 -3.221 1.00 0.00 C ATOM 544 CG2 ILE A 39 -13.158 12.498 -4.871 1.00 0.00 C ATOM 545 CD1 ILE A 39 -11.915 11.454 -2.315 1.00 0.00 C ATOM 546 HA ILE A 39 -14.199 12.965 -2.467 1.00 0.00 H ATOM 547 HB ILE A 39 -14.455 10.816 -4.592 1.00 0.00 H ATOM 548 HG12 ILE A 39 -13.340 9.905 -2.614 1.00 0.00 H ATOM 549 HG13 ILE A 39 -12.191 10.129 -3.954 1.00 0.00 H ATOM 550 HD11 ILE A 39 -11.372 12.189 -2.909 1.00 0.00 H ATOM 551 HD12 ILE A 39 -12.521 11.965 -1.567 1.00 0.00 H ATOM 552 HD13 ILE A 39 -11.207 10.791 -1.819 1.00 0.00 H ATOM 553 HG21 ILE A 39 -13.907 13.062 -5.427 1.00 0.00 H ATOM 554 HG22 ILE A 39 -12.569 13.180 -4.258 1.00 0.00 H ATOM 555 HG23 ILE A 39 -12.503 11.976 -5.568 1.00 0.00 H ATOM 556 H ILE A 39 -15.308 10.276 -2.133 1.00 0.00 H ATOM 557 N ARG A 40 -15.887 14.162 -3.840 1.00 0.00 N ATOM 558 CA ARG A 40 -16.984 14.944 -4.386 1.00 0.00 C ATOM 559 C ARG A 40 -16.740 15.247 -5.861 1.00 0.00 C ATOM 560 O ARG A 40 -17.651 15.176 -6.682 1.00 0.00 O ATOM 561 CB ARG A 40 -17.098 16.246 -3.587 1.00 0.00 C ATOM 562 CG ARG A 40 -18.507 16.797 -3.444 1.00 0.00 C ATOM 563 CD ARG A 40 -19.027 17.424 -4.721 1.00 0.00 C ATOM 564 NE ARG A 40 -20.025 18.449 -4.428 1.00 0.00 N ATOM 565 CZ ARG A 40 -21.230 18.509 -4.986 1.00 0.00 C ATOM 566 NH1 ARG A 40 -21.598 17.606 -5.886 1.00 0.00 N ATOM 567 NH2 ARG A 40 -22.073 19.471 -4.629 1.00 0.00 N ATOM 568 HA ARG A 40 -17.913 14.379 -4.309 1.00 0.00 H ATOM 569 HB2 ARG A 40 -16.704 16.064 -2.587 1.00 0.00 H ATOM 570 HB3 ARG A 40 -16.489 17.001 -4.084 1.00 0.00 H ATOM 571 HG2 ARG A 40 -19.173 15.982 -3.160 1.00 0.00 H ATOM 572 HG3 ARG A 40 -18.507 17.554 -2.660 1.00 0.00 H ATOM 573 HD2 ARG A 40 -19.481 16.650 -5.340 1.00 0.00 H ATOM 574 HD3 ARG A 40 -18.196 17.878 -5.260 1.00 0.00 H ATOM 575 HE ARG A 40 -19.776 19.183 -3.735 1.00 0.00 H ATOM 576 HH12 ARG A 40 -22.542 17.658 -6.319 1.00 0.00 H ATOM 577 HH11 ARG A 40 -20.942 16.846 -6.158 1.00 0.00 H ATOM 578 HH22 ARG A 40 -23.017 19.523 -5.062 1.00 0.00 H ATOM 579 HH21 ARG A 40 -21.789 20.173 -3.916 1.00 0.00 H ATOM 580 H ARG A 40 -15.027 14.655 -3.527 1.00 0.00 H ATOM 581 N LEU A 41 -15.500 15.582 -6.183 1.00 0.00 N ATOM 582 CA LEU A 41 -15.127 15.938 -7.541 1.00 0.00 C ATOM 583 C LEU A 41 -13.625 15.782 -7.725 1.00 0.00 C ATOM 584 O LEU A 41 -12.854 16.097 -6.822 1.00 0.00 O ATOM 585 CB LEU A 41 -15.545 17.381 -7.847 1.00 0.00 C ATOM 586 CG LEU A 41 -15.224 17.873 -9.259 1.00 0.00 C ATOM 587 CD1 LEU A 41 -16.041 17.108 -10.291 1.00 0.00 C ATOM 588 CD2 LEU A 41 -15.488 19.366 -9.365 1.00 0.00 C ATOM 589 HA LEU A 41 -15.642 15.270 -8.232 1.00 0.00 H ATOM 590 HB2 LEU A 41 -16.623 17.457 -7.701 1.00 0.00 H ATOM 591 HB3 LEU A 41 -15.037 18.036 -7.139 1.00 0.00 H ATOM 592 HG LEU A 41 -14.168 17.692 -9.461 1.00 0.00 H ATOM 593 HD21 LEU A 41 -16.537 19.565 -9.146 1.00 0.00 H ATOM 594 HD22 LEU A 41 -14.860 19.896 -8.649 1.00 0.00 H ATOM 595 HD23 LEU A 41 -15.256 19.704 -10.375 1.00 0.00 H ATOM 596 HD11 LEU A 41 -15.806 16.046 -10.224 1.00 0.00 H ATOM 597 HD12 LEU A 41 -17.103 17.259 -10.096 1.00 0.00 H ATOM 598 HD13 LEU A 41 -15.798 17.473 -11.289 1.00 0.00 H ATOM 599 H LEU A 41 -14.771 15.590 -5.441 1.00 0.00 H ATOM 600 N VAL A 42 -13.215 15.296 -8.883 1.00 0.00 N ATOM 601 CA VAL A 42 -11.802 15.110 -9.180 1.00 0.00 C ATOM 602 C VAL A 42 -11.370 16.054 -10.296 1.00 0.00 C ATOM 603 O VAL A 42 -12.121 16.297 -11.240 1.00 0.00 O ATOM 604 CB VAL A 42 -11.491 13.651 -9.590 1.00 0.00 C ATOM 605 CG1 VAL A 42 -10.012 13.469 -9.897 1.00 0.00 C ATOM 606 CG2 VAL A 42 -11.922 12.687 -8.496 1.00 0.00 C ATOM 607 HA VAL A 42 -11.245 15.335 -8.271 1.00 0.00 H ATOM 608 HB VAL A 42 -12.056 13.432 -10.496 1.00 0.00 H ATOM 609 HG11 VAL A 42 -9.728 14.129 -10.717 1.00 0.00 H ATOM 610 HG12 VAL A 42 -9.426 13.715 -9.012 1.00 0.00 H ATOM 611 HG13 VAL A 42 -9.826 12.433 -10.182 1.00 0.00 H ATOM 612 HG21 VAL A 42 -11.385 12.919 -7.576 1.00 0.00 H ATOM 613 HG22 VAL A 42 -12.994 12.787 -8.327 1.00 0.00 H ATOM 614 HG23 VAL A 42 -11.695 11.666 -8.803 1.00 0.00 H ATOM 615 H VAL A 42 -13.921 15.039 -9.602 1.00 0.00 H ATOM 616 N GLU A 43 -10.179 16.615 -10.160 1.00 0.00 N ATOM 617 CA GLU A 43 -9.618 17.476 -11.170 1.00 0.00 C ATOM 618 C GLU A 43 -9.002 16.615 -12.269 1.00 0.00 C ATOM 619 O GLU A 43 -8.147 15.778 -11.996 1.00 0.00 O ATOM 620 CB GLU A 43 -8.551 18.366 -10.527 1.00 0.00 C ATOM 621 CG GLU A 43 -8.052 19.468 -11.430 1.00 0.00 C ATOM 622 CD GLU A 43 -9.078 20.565 -11.625 1.00 0.00 C ATOM 623 OE1 GLU A 43 -9.909 20.449 -12.548 1.00 0.00 O ATOM 624 OE2 GLU A 43 -9.057 21.547 -10.860 1.00 0.00 O ATOM 625 HA GLU A 43 -10.392 18.108 -11.606 1.00 0.00 H ATOM 626 HB2 GLU A 43 -8.976 18.821 -9.632 1.00 0.00 H ATOM 627 HB3 GLU A 43 -7.704 17.740 -10.248 1.00 0.00 H ATOM 628 HG2 GLU A 43 -7.154 19.902 -10.990 1.00 0.00 H ATOM 629 HG3 GLU A 43 -7.808 19.040 -12.402 1.00 0.00 H ATOM 630 H GLU A 43 -9.630 16.428 -9.296 1.00 0.00 H ATOM 631 N PRO A 44 -9.447 16.789 -13.523 1.00 0.00 N ATOM 632 CA PRO A 44 -8.931 16.021 -14.664 1.00 0.00 C ATOM 633 C PRO A 44 -7.423 16.180 -14.834 1.00 0.00 C ATOM 634 O PRO A 44 -6.756 15.326 -15.419 1.00 0.00 O ATOM 635 CB PRO A 44 -9.671 16.616 -15.870 1.00 0.00 C ATOM 636 CG PRO A 44 -10.218 17.918 -15.391 1.00 0.00 C ATOM 637 CD PRO A 44 -10.495 17.732 -13.931 1.00 0.00 C ATOM 638 HA PRO A 44 -9.094 14.951 -14.537 1.00 0.00 H ATOM 639 HD3 PRO A 44 -10.408 18.675 -13.391 1.00 0.00 H ATOM 640 HD2 PRO A 44 -11.488 17.312 -13.769 1.00 0.00 H ATOM 641 HG3 PRO A 44 -11.137 18.163 -15.924 1.00 0.00 H ATOM 642 HG2 PRO A 44 -9.489 18.714 -15.541 1.00 0.00 H ATOM 643 HB2 PRO A 44 -8.984 16.773 -16.701 1.00 0.00 H ATOM 644 HB3 PRO A 44 -10.478 15.956 -16.187 1.00 0.00 H ATOM 645 N GLY A 45 -6.895 17.281 -14.319 1.00 0.00 N ATOM 646 CA GLY A 45 -5.467 17.517 -14.366 1.00 0.00 C ATOM 647 C GLY A 45 -4.803 17.301 -13.018 1.00 0.00 C ATOM 648 O GLY A 45 -4.016 18.131 -12.566 1.00 0.00 O ATOM 649 HA3 GLY A 45 -5.291 18.545 -14.683 1.00 0.00 H ATOM 650 HA2 GLY A 45 -5.022 16.834 -15.090 1.00 0.00 H ATOM 651 H GLY A 45 -7.516 17.987 -13.874 1.00 0.00 H ATOM 652 N SER A 46 -5.134 16.194 -12.365 1.00 0.00 N ATOM 653 CA SER A 46 -4.559 15.878 -11.066 1.00 0.00 C ATOM 654 C SER A 46 -3.827 14.540 -11.103 1.00 0.00 C ATOM 655 O SER A 46 -4.108 13.691 -11.947 1.00 0.00 O ATOM 656 CB SER A 46 -5.667 15.818 -10.014 1.00 0.00 C ATOM 657 OG SER A 46 -6.538 14.724 -10.251 1.00 0.00 O ATOM 658 HA SER A 46 -3.844 16.660 -10.810 1.00 0.00 H ATOM 659 HB2 SER A 46 -6.241 16.744 -10.048 1.00 0.00 H ATOM 660 HB3 SER A 46 -5.216 15.707 -9.028 1.00 0.00 H ATOM 661 HG SER A 46 -6.954 14.822 -11.144 1.00 0.00 H ATOM 662 H SER A 46 -5.819 15.538 -12.791 1.00 0.00 H ATOM 663 N PRO A 47 -2.858 14.343 -10.197 1.00 0.00 N ATOM 664 CA PRO A 47 -2.234 13.039 -9.977 1.00 0.00 C ATOM 665 C PRO A 47 -3.192 12.076 -9.278 1.00 0.00 C ATOM 666 O PRO A 47 -2.949 10.871 -9.216 1.00 0.00 O ATOM 667 CB PRO A 47 -1.032 13.340 -9.069 1.00 0.00 C ATOM 668 CG PRO A 47 -0.905 14.829 -9.029 1.00 0.00 C ATOM 669 CD PRO A 47 -2.266 15.381 -9.340 1.00 0.00 C ATOM 670 HA PRO A 47 -1.951 12.561 -10.915 1.00 0.00 H ATOM 671 HD3 PRO A 47 -2.850 15.518 -8.430 1.00 0.00 H ATOM 672 HD2 PRO A 47 -2.192 16.331 -9.869 1.00 0.00 H ATOM 673 HG3 PRO A 47 -0.183 15.166 -9.773 1.00 0.00 H ATOM 674 HG2 PRO A 47 -0.584 15.153 -8.039 1.00 0.00 H ATOM 675 HB2 PRO A 47 -1.207 12.948 -8.067 1.00 0.00 H ATOM 676 HB3 PRO A 47 -0.126 12.894 -9.480 1.00 0.00 H ATOM 677 N ALA A 48 -4.275 12.625 -8.743 1.00 0.00 N ATOM 678 CA ALA A 48 -5.268 11.837 -8.030 1.00 0.00 C ATOM 679 C ALA A 48 -6.011 10.894 -8.968 1.00 0.00 C ATOM 680 O ALA A 48 -6.174 9.711 -8.669 1.00 0.00 O ATOM 681 CB ALA A 48 -6.253 12.751 -7.321 1.00 0.00 C ATOM 682 HA ALA A 48 -4.744 11.231 -7.291 1.00 0.00 H ATOM 683 HB1 ALA A 48 -5.717 13.379 -6.609 1.00 0.00 H ATOM 684 HB2 ALA A 48 -6.756 13.380 -8.055 1.00 0.00 H ATOM 685 HB3 ALA A 48 -6.990 12.148 -6.792 1.00 0.00 H ATOM 686 H ALA A 48 -4.418 13.651 -8.836 1.00 0.00 H ATOM 687 N GLU A 49 -6.446 11.417 -10.109 1.00 0.00 N ATOM 688 CA GLU A 49 -7.253 10.640 -11.043 1.00 0.00 C ATOM 689 C GLU A 49 -6.465 9.484 -11.659 1.00 0.00 C ATOM 690 O GLU A 49 -7.010 8.402 -11.869 1.00 0.00 O ATOM 691 CB GLU A 49 -7.861 11.547 -12.123 1.00 0.00 C ATOM 692 CG GLU A 49 -6.864 12.427 -12.867 1.00 0.00 C ATOM 693 CD GLU A 49 -6.382 11.814 -14.168 1.00 0.00 C ATOM 694 OE1 GLU A 49 -7.203 11.666 -15.097 1.00 0.00 O ATOM 695 OE2 GLU A 49 -5.184 11.485 -14.271 1.00 0.00 O ATOM 696 HA GLU A 49 -8.071 10.194 -10.477 1.00 0.00 H ATOM 697 HB2 GLU A 49 -8.362 10.912 -12.854 1.00 0.00 H ATOM 698 HB3 GLU A 49 -8.594 12.197 -11.645 1.00 0.00 H ATOM 699 HG2 GLU A 49 -7.342 13.381 -13.089 1.00 0.00 H ATOM 700 HG3 GLU A 49 -6.001 12.595 -12.222 1.00 0.00 H ATOM 701 H GLU A 49 -6.206 12.402 -10.341 1.00 0.00 H ATOM 702 N LYS A 50 -5.178 9.695 -11.919 1.00 0.00 N ATOM 703 CA LYS A 50 -4.346 8.642 -12.499 1.00 0.00 C ATOM 704 C LYS A 50 -4.018 7.574 -11.466 1.00 0.00 C ATOM 705 O LYS A 50 -3.711 6.433 -11.811 1.00 0.00 O ATOM 706 CB LYS A 50 -3.047 9.203 -13.070 1.00 0.00 C ATOM 707 CG LYS A 50 -2.183 9.935 -12.053 1.00 0.00 C ATOM 708 CD LYS A 50 -0.718 9.913 -12.454 1.00 0.00 C ATOM 709 CE LYS A 50 -0.515 10.453 -13.858 1.00 0.00 C ATOM 710 NZ LYS A 50 0.862 10.201 -14.353 1.00 0.00 N ATOM 711 HA LYS A 50 -4.922 8.196 -13.310 1.00 0.00 H ATOM 712 HB2 LYS A 50 -2.467 8.375 -13.479 1.00 0.00 H ATOM 713 HB3 LYS A 50 -3.298 9.899 -13.870 1.00 0.00 H ATOM 714 HG2 LYS A 50 -2.517 10.970 -11.983 1.00 0.00 H ATOM 715 HG3 LYS A 50 -2.293 9.453 -11.081 1.00 0.00 H ATOM 716 HD2 LYS A 50 -0.150 10.525 -11.754 1.00 0.00 H ATOM 717 HD3 LYS A 50 -0.355 8.886 -12.414 1.00 0.00 H ATOM 718 HE2 LYS A 50 -0.697 11.528 -13.853 1.00 0.00 H ATOM 719 HE3 LYS A 50 -1.225 9.969 -14.528 1.00 0.00 H ATOM 720 HZ1 LYS A 50 1.546 10.665 -13.722 1.00 0.00 H ATOM 721 HZ2 LYS A 50 1.042 9.177 -14.368 1.00 0.00 H ATOM 722 HZ3 LYS A 50 0.959 10.585 -15.315 1.00 0.00 H ATOM 723 H LYS A 50 -4.757 10.622 -11.707 1.00 0.00 H ATOM 724 N ALA A 51 -4.077 7.953 -10.194 1.00 0.00 N ATOM 725 CA ALA A 51 -3.838 7.014 -9.108 1.00 0.00 C ATOM 726 C ALA A 51 -5.000 6.033 -8.990 1.00 0.00 C ATOM 727 O ALA A 51 -4.903 5.011 -8.309 1.00 0.00 O ATOM 728 CB ALA A 51 -3.630 7.764 -7.799 1.00 0.00 C ATOM 729 HA ALA A 51 -2.933 6.447 -9.327 1.00 0.00 H ATOM 730 HB1 ALA A 51 -2.770 8.426 -7.894 1.00 0.00 H ATOM 731 HB2 ALA A 51 -4.520 8.352 -7.573 1.00 0.00 H ATOM 732 HB3 ALA A 51 -3.452 7.049 -6.996 1.00 0.00 H ATOM 733 H ALA A 51 -4.299 8.944 -9.969 1.00 0.00 H ATOM 734 N GLY A 52 -6.093 6.346 -9.674 1.00 0.00 N ATOM 735 CA GLY A 52 -7.262 5.490 -9.641 1.00 0.00 C ATOM 736 C GLY A 52 -8.314 5.979 -8.669 1.00 0.00 C ATOM 737 O GLY A 52 -9.227 5.241 -8.314 1.00 0.00 O ATOM 738 HA3 GLY A 52 -6.953 4.487 -9.346 1.00 0.00 H ATOM 739 HA2 GLY A 52 -7.698 5.455 -10.639 1.00 0.00 H ATOM 740 H GLY A 52 -6.111 7.217 -10.241 1.00 0.00 H ATOM 741 N LEU A 53 -8.170 7.218 -8.225 1.00 0.00 N ATOM 742 CA LEU A 53 -9.142 7.833 -7.337 1.00 0.00 C ATOM 743 C LEU A 53 -10.281 8.439 -8.157 1.00 0.00 C ATOM 744 O LEU A 53 -10.051 9.252 -9.059 1.00 0.00 O ATOM 745 CB LEU A 53 -8.442 8.893 -6.479 1.00 0.00 C ATOM 746 CG LEU A 53 -9.281 9.523 -5.367 1.00 0.00 C ATOM 747 CD1 LEU A 53 -8.426 9.725 -4.127 1.00 0.00 C ATOM 748 CD2 LEU A 53 -9.863 10.854 -5.821 1.00 0.00 C ATOM 749 HA LEU A 53 -9.572 7.083 -6.673 1.00 0.00 H ATOM 750 HB2 LEU A 53 -7.573 8.426 -6.016 1.00 0.00 H ATOM 751 HB3 LEU A 53 -8.113 9.693 -7.142 1.00 0.00 H ATOM 752 HG LEU A 53 -10.105 8.850 -5.130 1.00 0.00 H ATOM 753 HD21 LEU A 53 -9.052 11.534 -6.080 1.00 0.00 H ATOM 754 HD22 LEU A 53 -10.496 10.693 -6.693 1.00 0.00 H ATOM 755 HD23 LEU A 53 -10.456 11.284 -5.014 1.00 0.00 H ATOM 756 HD11 LEU A 53 -8.045 8.761 -3.789 1.00 0.00 H ATOM 757 HD12 LEU A 53 -7.591 10.384 -4.366 1.00 0.00 H ATOM 758 HD13 LEU A 53 -9.031 10.174 -3.339 1.00 0.00 H ATOM 759 H LEU A 53 -7.337 7.767 -8.520 1.00 0.00 H ATOM 760 N LEU A 54 -11.501 8.027 -7.851 1.00 0.00 N ATOM 761 CA LEU A 54 -12.668 8.453 -8.609 1.00 0.00 C ATOM 762 C LEU A 54 -13.496 9.456 -7.817 1.00 0.00 C ATOM 763 O LEU A 54 -13.366 9.567 -6.596 1.00 0.00 O ATOM 764 CB LEU A 54 -13.530 7.241 -8.972 1.00 0.00 C ATOM 765 CG LEU A 54 -12.848 6.201 -9.863 1.00 0.00 C ATOM 766 CD1 LEU A 54 -13.769 5.013 -10.090 1.00 0.00 C ATOM 767 CD2 LEU A 54 -12.440 6.823 -11.190 1.00 0.00 C ATOM 768 HA LEU A 54 -12.322 8.937 -9.522 1.00 0.00 H ATOM 769 HB2 LEU A 54 -13.828 6.749 -8.046 1.00 0.00 H ATOM 770 HB3 LEU A 54 -14.417 7.601 -9.492 1.00 0.00 H ATOM 771 HG LEU A 54 -11.948 5.848 -9.359 1.00 0.00 H ATOM 772 HD21 LEU A 54 -13.326 7.201 -11.700 1.00 0.00 H ATOM 773 HD22 LEU A 54 -11.746 7.644 -11.007 1.00 0.00 H ATOM 774 HD23 LEU A 54 -11.957 6.068 -11.810 1.00 0.00 H ATOM 775 HD11 LEU A 54 -14.013 4.555 -9.131 1.00 0.00 H ATOM 776 HD12 LEU A 54 -14.684 5.352 -10.575 1.00 0.00 H ATOM 777 HD13 LEU A 54 -13.268 4.283 -10.726 1.00 0.00 H ATOM 778 H LEU A 54 -11.629 7.381 -7.046 1.00 0.00 H ATOM 779 N ALA A 55 -14.365 10.171 -8.521 1.00 0.00 N ATOM 780 CA ALA A 55 -15.193 11.208 -7.913 1.00 0.00 C ATOM 781 C ALA A 55 -16.435 10.608 -7.271 1.00 0.00 C ATOM 782 O ALA A 55 -17.521 11.186 -7.329 1.00 0.00 O ATOM 783 CB ALA A 55 -15.581 12.250 -8.953 1.00 0.00 C ATOM 784 HA ALA A 55 -14.611 11.694 -7.130 1.00 0.00 H ATOM 785 HB1 ALA A 55 -14.680 12.707 -9.362 1.00 0.00 H ATOM 786 HB2 ALA A 55 -16.142 11.770 -9.755 1.00 0.00 H ATOM 787 HB3 ALA A 55 -16.198 13.017 -8.485 1.00 0.00 H ATOM 788 H ALA A 55 -14.459 9.986 -9.540 1.00 0.00 H ATOM 789 N GLY A 56 -16.265 9.448 -6.660 1.00 0.00 N ATOM 790 CA GLY A 56 -17.363 8.784 -5.998 1.00 0.00 C ATOM 791 C GLY A 56 -16.880 7.683 -5.086 1.00 0.00 C ATOM 792 O GLY A 56 -17.576 6.697 -4.872 1.00 0.00 O ATOM 793 HA3 GLY A 56 -18.023 8.355 -6.752 1.00 0.00 H ATOM 794 HA2 GLY A 56 -17.915 9.516 -5.408 1.00 0.00 H ATOM 795 H GLY A 56 -15.324 9.006 -6.656 1.00 0.00 H ATOM 796 N ASP A 57 -15.678 7.851 -4.555 1.00 0.00 N ATOM 797 CA ASP A 57 -15.085 6.859 -3.666 1.00 0.00 C ATOM 798 C ASP A 57 -15.129 7.349 -2.231 1.00 0.00 C ATOM 799 O ASP A 57 -15.349 8.535 -1.980 1.00 0.00 O ATOM 800 CB ASP A 57 -13.631 6.579 -4.050 1.00 0.00 C ATOM 801 CG ASP A 57 -13.485 5.970 -5.428 1.00 0.00 C ATOM 802 OD1 ASP A 57 -14.384 5.218 -5.857 1.00 0.00 O ATOM 803 OD2 ASP A 57 -12.460 6.237 -6.085 1.00 0.00 O ATOM 804 HA ASP A 57 -15.662 5.939 -3.762 1.00 0.00 H ATOM 805 HB2 ASP A 57 -13.079 7.519 -4.026 1.00 0.00 H ATOM 806 HB3 ASP A 57 -13.206 5.890 -3.320 1.00 0.00 H ATOM 807 H ASP A 57 -15.143 8.714 -4.778 1.00 0.00 H ATOM 808 N ARG A 58 -14.917 6.441 -1.291 1.00 0.00 N ATOM 809 CA ARG A 58 -14.833 6.814 0.110 1.00 0.00 C ATOM 810 C ARG A 58 -13.438 6.521 0.650 1.00 0.00 C ATOM 811 O ARG A 58 -12.856 5.472 0.361 1.00 0.00 O ATOM 812 CB ARG A 58 -15.901 6.087 0.939 1.00 0.00 C ATOM 813 CG ARG A 58 -15.740 4.575 1.009 1.00 0.00 C ATOM 814 CD ARG A 58 -16.823 3.939 1.869 1.00 0.00 C ATOM 815 NE ARG A 58 -16.942 4.604 3.165 1.00 0.00 N ATOM 816 CZ ARG A 58 -16.584 4.053 4.327 1.00 0.00 C ATOM 817 NH1 ARG A 58 -16.204 2.783 4.379 1.00 0.00 N ATOM 818 NH2 ARG A 58 -16.652 4.766 5.443 1.00 0.00 N ATOM 819 HA ARG A 58 -15.021 7.885 0.192 1.00 0.00 H ATOM 820 HB2 ARG A 58 -15.865 6.479 1.956 1.00 0.00 H ATOM 821 HB3 ARG A 58 -16.875 6.304 0.501 1.00 0.00 H ATOM 822 HG2 ARG A 58 -15.801 4.165 0.001 1.00 0.00 H ATOM 823 HG3 ARG A 58 -14.765 4.342 1.437 1.00 0.00 H ATOM 824 HD2 ARG A 58 -16.576 2.890 2.031 1.00 0.00 H ATOM 825 HD3 ARG A 58 -17.777 4.009 1.346 1.00 0.00 H ATOM 826 HE ARG A 58 -17.331 5.569 3.183 1.00 0.00 H ATOM 827 HH12 ARG A 58 -15.926 2.360 5.288 1.00 0.00 H ATOM 828 HH11 ARG A 58 -16.184 2.210 3.511 1.00 0.00 H ATOM 829 HH22 ARG A 58 -16.374 4.340 6.350 1.00 0.00 H ATOM 830 HH21 ARG A 58 -16.983 5.751 5.411 1.00 0.00 H ATOM 831 H ARG A 58 -14.809 5.442 -1.561 1.00 0.00 H ATOM 832 N LEU A 59 -12.904 7.460 1.418 1.00 0.00 N ATOM 833 CA LEU A 59 -11.580 7.310 2.000 1.00 0.00 C ATOM 834 C LEU A 59 -11.690 6.616 3.346 1.00 0.00 C ATOM 835 O LEU A 59 -12.377 7.099 4.247 1.00 0.00 O ATOM 836 CB LEU A 59 -10.903 8.675 2.167 1.00 0.00 C ATOM 837 CG LEU A 59 -9.472 8.630 2.707 1.00 0.00 C ATOM 838 CD1 LEU A 59 -8.557 7.891 1.742 1.00 0.00 C ATOM 839 CD2 LEU A 59 -8.957 10.038 2.959 1.00 0.00 C ATOM 840 HA LEU A 59 -10.970 6.705 1.329 1.00 0.00 H ATOM 841 HB2 LEU A 59 -10.881 9.162 1.192 1.00 0.00 H ATOM 842 HB3 LEU A 59 -11.505 9.269 2.855 1.00 0.00 H ATOM 843 HG LEU A 59 -9.478 8.089 3.653 1.00 0.00 H ATOM 844 HD21 LEU A 59 -8.967 10.600 2.025 1.00 0.00 H ATOM 845 HD22 LEU A 59 -9.598 10.533 3.689 1.00 0.00 H ATOM 846 HD23 LEU A 59 -7.938 9.988 3.343 1.00 0.00 H ATOM 847 HD11 LEU A 59 -8.917 6.871 1.611 1.00 0.00 H ATOM 848 HD12 LEU A 59 -8.556 8.404 0.780 1.00 0.00 H ATOM 849 HD13 LEU A 59 -7.545 7.871 2.146 1.00 0.00 H ATOM 850 H LEU A 59 -13.446 8.327 1.609 1.00 0.00 H ATOM 851 N VAL A 60 -11.034 5.477 3.470 1.00 0.00 N ATOM 852 CA VAL A 60 -11.068 4.719 4.710 1.00 0.00 C ATOM 853 C VAL A 60 -9.764 4.849 5.487 1.00 0.00 C ATOM 854 O VAL A 60 -9.777 5.067 6.700 1.00 0.00 O ATOM 855 CB VAL A 60 -11.391 3.227 4.464 1.00 0.00 C ATOM 856 CG1 VAL A 60 -12.877 3.043 4.214 1.00 0.00 C ATOM 857 CG2 VAL A 60 -10.599 2.676 3.287 1.00 0.00 C ATOM 858 HA VAL A 60 -11.870 5.148 5.311 1.00 0.00 H ATOM 859 HB VAL A 60 -11.104 2.674 5.358 1.00 0.00 H ATOM 860 HG11 VAL A 60 -13.436 3.390 5.083 1.00 0.00 H ATOM 861 HG12 VAL A 60 -13.171 3.620 3.337 1.00 0.00 H ATOM 862 HG13 VAL A 60 -13.087 1.987 4.043 1.00 0.00 H ATOM 863 HG21 VAL A 60 -10.849 3.238 2.387 1.00 0.00 H ATOM 864 HG22 VAL A 60 -9.533 2.771 3.492 1.00 0.00 H ATOM 865 HG23 VAL A 60 -10.850 1.625 3.142 1.00 0.00 H ATOM 866 H VAL A 60 -10.483 5.115 2.666 1.00 0.00 H ATOM 867 N GLU A 61 -8.637 4.760 4.790 1.00 0.00 N ATOM 868 CA GLU A 61 -7.345 4.770 5.460 1.00 0.00 C ATOM 869 C GLU A 61 -6.381 5.724 4.765 1.00 0.00 C ATOM 870 O GLU A 61 -6.471 5.947 3.556 1.00 0.00 O ATOM 871 CB GLU A 61 -6.711 3.373 5.447 1.00 0.00 C ATOM 872 CG GLU A 61 -7.690 2.210 5.541 1.00 0.00 C ATOM 873 CD GLU A 61 -8.112 1.897 6.956 1.00 0.00 C ATOM 874 OE1 GLU A 61 -7.226 1.707 7.810 1.00 0.00 O ATOM 875 OE2 GLU A 61 -9.326 1.822 7.218 1.00 0.00 O ATOM 876 HA GLU A 61 -7.520 5.093 6.486 1.00 0.00 H ATOM 877 HB2 GLU A 61 -6.150 3.267 4.518 1.00 0.00 H ATOM 878 HB3 GLU A 61 -6.027 3.306 6.293 1.00 0.00 H ATOM 879 HG2 GLU A 61 -8.579 2.458 4.961 1.00 0.00 H ATOM 880 HG3 GLU A 61 -7.217 1.324 5.117 1.00 0.00 H ATOM 881 H GLU A 61 -8.678 4.682 3.754 1.00 0.00 H ATOM 882 N VAL A 62 -5.445 6.262 5.535 1.00 0.00 N ATOM 883 CA VAL A 62 -4.364 7.071 4.994 1.00 0.00 C ATOM 884 C VAL A 62 -3.027 6.430 5.342 1.00 0.00 C ATOM 885 O VAL A 62 -2.683 6.301 6.514 1.00 0.00 O ATOM 886 CB VAL A 62 -4.389 8.523 5.529 1.00 0.00 C ATOM 887 CG1 VAL A 62 -3.167 9.298 5.050 1.00 0.00 C ATOM 888 CG2 VAL A 62 -5.663 9.238 5.102 1.00 0.00 C ATOM 889 HA VAL A 62 -4.499 7.115 3.913 1.00 0.00 H ATOM 890 HB VAL A 62 -4.367 8.477 6.618 1.00 0.00 H ATOM 891 HG11 VAL A 62 -2.263 8.806 5.409 1.00 0.00 H ATOM 892 HG12 VAL A 62 -3.159 9.325 3.960 1.00 0.00 H ATOM 893 HG13 VAL A 62 -3.208 10.315 5.439 1.00 0.00 H ATOM 894 HG21 VAL A 62 -5.716 9.264 4.014 1.00 0.00 H ATOM 895 HG22 VAL A 62 -6.527 8.704 5.496 1.00 0.00 H ATOM 896 HG23 VAL A 62 -5.655 10.256 5.491 1.00 0.00 H ATOM 897 H VAL A 62 -5.485 6.100 6.561 1.00 0.00 H ATOM 898 N ASN A 63 -2.311 5.983 4.314 1.00 0.00 N ATOM 899 CA ASN A 63 -0.976 5.394 4.468 1.00 0.00 C ATOM 900 C ASN A 63 -1.002 4.058 5.213 1.00 0.00 C ATOM 901 O ASN A 63 0.045 3.454 5.437 1.00 0.00 O ATOM 902 CB ASN A 63 -0.016 6.372 5.162 1.00 0.00 C ATOM 903 CG ASN A 63 0.505 7.438 4.215 1.00 0.00 C ATOM 904 OD1 ASN A 63 0.676 7.192 3.023 1.00 0.00 O ATOM 905 ND2 ASN A 63 0.758 8.632 4.733 1.00 0.00 N ATOM 906 HA ASN A 63 -0.611 5.195 3.460 1.00 0.00 H ATOM 907 HB2 ASN A 63 -0.544 6.859 5.982 1.00 0.00 H ATOM 908 HB3 ASN A 63 0.830 5.811 5.558 1.00 0.00 H ATOM 909 HD22 ASN A 63 0.601 8.803 5.747 1.00 0.00 H ATOM 910 HD21 ASN A 63 1.113 9.398 4.126 1.00 0.00 H ATOM 911 H ASN A 63 -2.715 6.054 3.359 1.00 0.00 H ATOM 912 N GLY A 64 -2.191 3.589 5.575 1.00 0.00 N ATOM 913 CA GLY A 64 -2.306 2.298 6.228 1.00 0.00 C ATOM 914 C GLY A 64 -3.093 2.354 7.524 1.00 0.00 C ATOM 915 O GLY A 64 -3.436 1.319 8.091 1.00 0.00 O ATOM 916 HA3 GLY A 64 -1.304 1.929 6.446 1.00 0.00 H ATOM 917 HA2 GLY A 64 -2.806 1.608 5.548 1.00 0.00 H ATOM 918 H GLY A 64 -3.046 4.151 5.389 1.00 0.00 H ATOM 919 N GLU A 65 -3.371 3.559 8.004 1.00 0.00 N ATOM 920 CA GLU A 65 -4.128 3.726 9.238 1.00 0.00 C ATOM 921 C GLU A 65 -5.496 4.334 8.949 1.00 0.00 C ATOM 922 O GLU A 65 -5.634 5.179 8.062 1.00 0.00 O ATOM 923 CB GLU A 65 -3.345 4.598 10.220 1.00 0.00 C ATOM 924 CG GLU A 65 -3.012 5.978 9.683 1.00 0.00 C ATOM 925 CD GLU A 65 -2.138 6.775 10.625 1.00 0.00 C ATOM 926 OE1 GLU A 65 -2.532 6.961 11.798 1.00 0.00 O ATOM 927 OE2 GLU A 65 -1.057 7.232 10.199 1.00 0.00 O ATOM 928 HA GLU A 65 -4.282 2.746 9.690 1.00 0.00 H ATOM 929 HB2 GLU A 65 -3.940 4.716 11.126 1.00 0.00 H ATOM 930 HB3 GLU A 65 -2.412 4.089 10.463 1.00 0.00 H ATOM 931 HG2 GLU A 65 -2.490 5.866 8.733 1.00 0.00 H ATOM 932 HG3 GLU A 65 -3.942 6.524 9.523 1.00 0.00 H ATOM 933 H GLU A 65 -3.042 4.401 7.490 1.00 0.00 H ATOM 934 N ASN A 66 -6.503 3.898 9.696 1.00 0.00 N ATOM 935 CA ASN A 66 -7.882 4.315 9.449 1.00 0.00 C ATOM 936 C ASN A 66 -8.113 5.750 9.879 1.00 0.00 C ATOM 937 O ASN A 66 -7.692 6.163 10.964 1.00 0.00 O ATOM 938 CB ASN A 66 -8.863 3.404 10.184 1.00 0.00 C ATOM 939 CG ASN A 66 -10.311 3.749 9.890 1.00 0.00 C ATOM 940 OD1 ASN A 66 -10.932 4.537 10.601 1.00 0.00 O ATOM 941 ND2 ASN A 66 -10.853 3.178 8.830 1.00 0.00 N ATOM 942 HA ASN A 66 -8.053 4.240 8.375 1.00 0.00 H ATOM 943 HB2 ASN A 66 -8.680 2.374 9.878 1.00 0.00 H ATOM 944 HB3 ASN A 66 -8.692 3.499 11.256 1.00 0.00 H ATOM 945 HD22 ASN A 66 -10.295 2.516 8.253 1.00 0.00 H ATOM 946 HD21 ASN A 66 -11.838 3.390 8.572 1.00 0.00 H ATOM 947 H ASN A 66 -6.305 3.242 10.478 1.00 0.00 H ATOM 948 N VAL A 67 -8.795 6.501 9.031 1.00 0.00 N ATOM 949 CA VAL A 67 -9.061 7.907 9.301 1.00 0.00 C ATOM 950 C VAL A 67 -10.560 8.210 9.344 1.00 0.00 C ATOM 951 O VAL A 67 -10.978 9.354 9.169 1.00 0.00 O ATOM 952 CB VAL A 67 -8.379 8.806 8.249 1.00 0.00 C ATOM 953 CG1 VAL A 67 -6.866 8.645 8.321 1.00 0.00 C ATOM 954 CG2 VAL A 67 -8.893 8.486 6.850 1.00 0.00 C ATOM 955 HA VAL A 67 -8.645 8.124 10.285 1.00 0.00 H ATOM 956 HB VAL A 67 -8.627 9.845 8.467 1.00 0.00 H ATOM 957 HG11 VAL A 67 -6.518 8.930 9.314 1.00 0.00 H ATOM 958 HG12 VAL A 67 -6.603 7.605 8.127 1.00 0.00 H ATOM 959 HG13 VAL A 67 -6.398 9.285 7.573 1.00 0.00 H ATOM 960 HG21 VAL A 67 -8.678 7.444 6.615 1.00 0.00 H ATOM 961 HG22 VAL A 67 -9.969 8.654 6.813 1.00 0.00 H ATOM 962 HG23 VAL A 67 -8.398 9.133 6.126 1.00 0.00 H ATOM 963 H VAL A 67 -9.150 6.077 8.150 1.00 0.00 H ATOM 964 N GLU A 68 -11.369 7.190 9.603 1.00 0.00 N ATOM 965 CA GLU A 68 -12.819 7.360 9.633 1.00 0.00 C ATOM 966 C GLU A 68 -13.284 7.996 10.936 1.00 0.00 C ATOM 967 O GLU A 68 -14.290 8.697 10.962 1.00 0.00 O ATOM 968 CB GLU A 68 -13.526 6.018 9.465 1.00 0.00 C ATOM 969 CG GLU A 68 -13.369 5.389 8.094 1.00 0.00 C ATOM 970 CD GLU A 68 -14.095 4.065 8.003 1.00 0.00 C ATOM 971 OE1 GLU A 68 -13.526 3.048 8.439 1.00 0.00 O ATOM 972 OE2 GLU A 68 -15.244 4.041 7.516 1.00 0.00 O ATOM 973 HA GLU A 68 -13.075 8.020 8.805 1.00 0.00 H ATOM 974 HB2 GLU A 68 -13.123 5.326 10.205 1.00 0.00 H ATOM 975 HB3 GLU A 68 -14.590 6.168 9.651 1.00 0.00 H ATOM 976 HG2 GLU A 68 -13.775 6.068 7.344 1.00 0.00 H ATOM 977 HG3 GLU A 68 -12.309 5.226 7.898 1.00 0.00 H ATOM 978 H GLU A 68 -10.962 6.251 9.788 1.00 0.00 H ATOM 979 N LYS A 69 -12.556 7.761 12.021 1.00 0.00 N ATOM 980 CA LYS A 69 -13.007 8.222 13.328 1.00 0.00 C ATOM 981 C LYS A 69 -12.417 9.593 13.642 1.00 0.00 C ATOM 982 O LYS A 69 -12.536 10.099 14.763 1.00 0.00 O ATOM 983 CB LYS A 69 -12.658 7.223 14.439 1.00 0.00 C ATOM 984 CG LYS A 69 -13.070 5.784 14.150 1.00 0.00 C ATOM 985 CD LYS A 69 -11.979 5.038 13.403 1.00 0.00 C ATOM 986 CE LYS A 69 -12.253 3.541 13.319 1.00 0.00 C ATOM 987 NZ LYS A 69 -13.334 3.212 12.350 1.00 0.00 N ATOM 988 HA LYS A 69 -14.093 8.303 13.289 1.00 0.00 H ATOM 989 HB2 LYS A 69 -11.579 7.244 14.589 1.00 0.00 H ATOM 990 HB3 LYS A 69 -13.157 7.543 15.354 1.00 0.00 H ATOM 991 HG2 LYS A 69 -13.267 5.274 15.093 1.00 0.00 H ATOM 992 HG3 LYS A 69 -13.976 5.788 13.544 1.00 0.00 H ATOM 993 HD2 LYS A 69 -11.909 5.439 12.392 1.00 0.00 H ATOM 994 HD3 LYS A 69 -11.032 5.193 13.920 1.00 0.00 H ATOM 995 HE2 LYS A 69 -12.547 3.183 14.306 1.00 0.00 H ATOM 996 HE3 LYS A 69 -11.339 3.035 13.008 1.00 0.00 H ATOM 997 HZ1 LYS A 69 -14.214 3.683 12.641 1.00 0.00 H ATOM 998 HZ2 LYS A 69 -13.060 3.541 11.402 1.00 0.00 H ATOM 999 HZ3 LYS A 69 -13.480 2.182 12.332 1.00 0.00 H ATOM 1000 H LYS A 69 -11.657 7.244 11.938 1.00 0.00 H ATOM 1001 N GLU A 70 -11.791 10.191 12.639 1.00 0.00 N ATOM 1002 CA GLU A 70 -11.220 11.525 12.767 1.00 0.00 C ATOM 1003 C GLU A 70 -12.312 12.575 12.570 1.00 0.00 C ATOM 1004 O GLU A 70 -13.499 12.279 12.699 1.00 0.00 O ATOM 1005 CB GLU A 70 -10.127 11.725 11.716 1.00 0.00 C ATOM 1006 CG GLU A 70 -9.074 10.629 11.691 1.00 0.00 C ATOM 1007 CD GLU A 70 -8.288 10.529 12.978 1.00 0.00 C ATOM 1008 OE1 GLU A 70 -7.341 11.322 13.162 1.00 0.00 O ATOM 1009 OE2 GLU A 70 -8.596 9.650 13.806 1.00 0.00 O ATOM 1010 HA GLU A 70 -10.788 11.633 13.762 1.00 0.00 H ATOM 1011 HB2 GLU A 70 -10.600 11.766 10.735 1.00 0.00 H ATOM 1012 HB3 GLU A 70 -9.628 12.673 11.918 1.00 0.00 H ATOM 1013 HG2 GLU A 70 -9.571 9.675 11.513 1.00 0.00 H ATOM 1014 HG3 GLU A 70 -8.380 10.834 10.876 1.00 0.00 H ATOM 1015 H GLU A 70 -11.704 9.692 11.731 1.00 0.00 H ATOM 1016 N THR A 71 -11.914 13.804 12.279 1.00 0.00 N ATOM 1017 CA THR A 71 -12.862 14.825 11.872 1.00 0.00 C ATOM 1018 C THR A 71 -12.635 15.137 10.402 1.00 0.00 C ATOM 1019 O THR A 71 -11.594 14.763 9.857 1.00 0.00 O ATOM 1020 CB THR A 71 -12.719 16.122 12.700 1.00 0.00 C ATOM 1021 OG1 THR A 71 -11.507 16.803 12.350 1.00 0.00 O ATOM 1022 CG2 THR A 71 -12.709 15.820 14.192 1.00 0.00 C ATOM 1023 HA THR A 71 -13.868 14.442 12.042 1.00 0.00 H ATOM 1024 HB THR A 71 -13.576 16.757 12.474 1.00 0.00 H ATOM 1025 HG1 THR A 71 -11.428 17.631 12.887 1.00 0.00 H ATOM 1026 HG23 THR A 71 -13.629 15.302 14.463 1.00 0.00 H ATOM 1027 HG21 THR A 71 -11.852 15.189 14.428 1.00 0.00 H ATOM 1028 HG22 THR A 71 -12.639 16.754 14.750 1.00 0.00 H ATOM 1029 H THR A 71 -10.904 14.042 12.343 1.00 0.00 H ATOM 1030 N HIS A 72 -13.574 15.817 9.755 1.00 0.00 N ATOM 1031 CA HIS A 72 -13.427 16.134 8.336 1.00 0.00 C ATOM 1032 C HIS A 72 -12.122 16.892 8.099 1.00 0.00 C ATOM 1033 O HIS A 72 -11.389 16.605 7.151 1.00 0.00 O ATOM 1034 CB HIS A 72 -14.623 16.952 7.833 1.00 0.00 C ATOM 1035 CG HIS A 72 -14.529 17.329 6.385 1.00 0.00 C ATOM 1036 ND1 HIS A 72 -14.671 16.419 5.355 1.00 0.00 N ATOM 1037 CD2 HIS A 72 -14.293 18.525 5.797 1.00 0.00 C ATOM 1038 CE1 HIS A 72 -14.525 17.042 4.200 1.00 0.00 C ATOM 1039 NE2 HIS A 72 -14.296 18.319 4.441 1.00 0.00 N ATOM 1040 HA HIS A 72 -13.397 15.200 7.775 1.00 0.00 H ATOM 1041 HB2 HIS A 72 -15.529 16.363 7.977 1.00 0.00 H ATOM 1042 HB3 HIS A 72 -14.688 17.866 8.423 1.00 0.00 H ATOM 1043 HD2 HIS A 72 -14.131 19.475 6.306 1.00 0.00 H ATOM 1044 HE1 HIS A 72 -14.584 16.580 3.215 1.00 0.00 H ATOM 1045 H HIS A 72 -14.425 16.128 10.265 1.00 0.00 H ATOM 1046 N GLN A 73 -11.834 17.838 8.982 1.00 0.00 N ATOM 1047 CA GLN A 73 -10.592 18.598 8.927 1.00 0.00 C ATOM 1048 C GLN A 73 -9.381 17.681 9.057 1.00 0.00 C ATOM 1049 O GLN A 73 -8.434 17.774 8.277 1.00 0.00 O ATOM 1050 CB GLN A 73 -10.564 19.635 10.049 1.00 0.00 C ATOM 1051 CG GLN A 73 -9.246 20.388 10.164 1.00 0.00 C ATOM 1052 CD GLN A 73 -9.166 21.226 11.423 1.00 0.00 C ATOM 1053 OE1 GLN A 73 -9.564 22.388 11.437 1.00 0.00 O ATOM 1054 NE2 GLN A 73 -8.645 20.643 12.492 1.00 0.00 N ATOM 1055 HA GLN A 73 -10.547 19.099 7.960 1.00 0.00 H ATOM 1056 HB2 GLN A 73 -11.358 20.359 9.867 1.00 0.00 H ATOM 1057 HB3 GLN A 73 -10.750 19.124 10.993 1.00 0.00 H ATOM 1058 HG2 GLN A 73 -8.430 19.666 10.172 1.00 0.00 H ATOM 1059 HG3 GLN A 73 -9.141 21.044 9.300 1.00 0.00 H ATOM 1060 HE22 GLN A 73 -8.319 19.657 12.440 1.00 0.00 H ATOM 1061 HE21 GLN A 73 -8.562 21.171 13.384 1.00 0.00 H ATOM 1062 H GLN A 73 -12.517 18.044 9.739 1.00 0.00 H ATOM 1063 N GLN A 74 -9.424 16.784 10.036 1.00 0.00 N ATOM 1064 CA GLN A 74 -8.292 15.913 10.318 1.00 0.00 C ATOM 1065 C GLN A 74 -8.041 14.944 9.172 1.00 0.00 C ATOM 1066 O GLN A 74 -6.894 14.634 8.862 1.00 0.00 O ATOM 1067 CB GLN A 74 -8.505 15.152 11.627 1.00 0.00 C ATOM 1068 CG GLN A 74 -8.578 16.054 12.851 1.00 0.00 C ATOM 1069 CD GLN A 74 -7.282 16.801 13.124 1.00 0.00 C ATOM 1070 OE1 GLN A 74 -6.500 17.083 12.217 1.00 0.00 O ATOM 1071 NE2 GLN A 74 -7.060 17.148 14.378 1.00 0.00 N ATOM 1072 HA GLN A 74 -7.409 16.543 10.425 1.00 0.00 H ATOM 1073 HB2 GLN A 74 -9.438 14.594 11.554 1.00 0.00 H ATOM 1074 HB3 GLN A 74 -7.677 14.456 11.760 1.00 0.00 H ATOM 1075 HG2 GLN A 74 -9.373 16.784 12.697 1.00 0.00 H ATOM 1076 HG3 GLN A 74 -8.814 15.440 13.720 1.00 0.00 H ATOM 1077 HE22 GLN A 74 -7.745 16.891 15.118 1.00 0.00 H ATOM 1078 HE21 GLN A 74 -6.200 17.678 14.627 1.00 0.00 H ATOM 1079 H GLN A 74 -10.285 16.702 10.614 1.00 0.00 H ATOM 1080 N VAL A 75 -9.112 14.481 8.536 1.00 0.00 N ATOM 1081 CA VAL A 75 -8.994 13.596 7.381 1.00 0.00 C ATOM 1082 C VAL A 75 -8.242 14.289 6.251 1.00 0.00 C ATOM 1083 O VAL A 75 -7.307 13.730 5.677 1.00 0.00 O ATOM 1084 CB VAL A 75 -10.376 13.135 6.871 1.00 0.00 C ATOM 1085 CG1 VAL A 75 -10.239 12.253 5.635 1.00 0.00 C ATOM 1086 CG2 VAL A 75 -11.127 12.400 7.969 1.00 0.00 C ATOM 1087 HA VAL A 75 -8.437 12.717 7.705 1.00 0.00 H ATOM 1088 HB VAL A 75 -10.946 14.021 6.590 1.00 0.00 H ATOM 1089 HG11 VAL A 75 -9.744 12.814 4.843 1.00 0.00 H ATOM 1090 HG12 VAL A 75 -9.647 11.372 5.883 1.00 0.00 H ATOM 1091 HG13 VAL A 75 -11.229 11.944 5.299 1.00 0.00 H ATOM 1092 HG21 VAL A 75 -10.553 11.527 8.279 1.00 0.00 H ATOM 1093 HG22 VAL A 75 -11.266 13.066 8.821 1.00 0.00 H ATOM 1094 HG23 VAL A 75 -12.099 12.082 7.592 1.00 0.00 H ATOM 1095 H VAL A 75 -10.058 14.756 8.869 1.00 0.00 H ATOM 1096 N VAL A 76 -8.641 15.520 5.952 1.00 0.00 N ATOM 1097 CA VAL A 76 -7.981 16.305 4.916 1.00 0.00 C ATOM 1098 C VAL A 76 -6.537 16.605 5.316 1.00 0.00 C ATOM 1099 O VAL A 76 -5.624 16.576 4.486 1.00 0.00 O ATOM 1100 CB VAL A 76 -8.738 17.627 4.654 1.00 0.00 C ATOM 1101 CG1 VAL A 76 -8.081 18.434 3.546 1.00 0.00 C ATOM 1102 CG2 VAL A 76 -10.192 17.349 4.310 1.00 0.00 C ATOM 1103 HA VAL A 76 -7.984 15.718 3.998 1.00 0.00 H ATOM 1104 HB VAL A 76 -8.698 18.218 5.569 1.00 0.00 H ATOM 1105 HG11 VAL A 76 -7.056 18.673 3.831 1.00 0.00 H ATOM 1106 HG12 VAL A 76 -8.077 17.850 2.626 1.00 0.00 H ATOM 1107 HG13 VAL A 76 -8.640 19.356 3.390 1.00 0.00 H ATOM 1108 HG21 VAL A 76 -10.240 16.729 3.415 1.00 0.00 H ATOM 1109 HG22 VAL A 76 -10.667 16.827 5.141 1.00 0.00 H ATOM 1110 HG23 VAL A 76 -10.708 18.292 4.129 1.00 0.00 H ATOM 1111 H VAL A 76 -9.443 15.934 6.469 1.00 0.00 H ATOM 1112 N SER A 77 -6.339 16.872 6.601 1.00 0.00 N ATOM 1113 CA SER A 77 -5.018 17.158 7.144 1.00 0.00 C ATOM 1114 C SER A 77 -4.082 15.956 7.005 1.00 0.00 C ATOM 1115 O SER A 77 -2.878 16.125 6.808 1.00 0.00 O ATOM 1116 CB SER A 77 -5.134 17.581 8.605 1.00 0.00 C ATOM 1117 OG SER A 77 -5.988 18.707 8.743 1.00 0.00 O ATOM 1118 HA SER A 77 -4.586 17.978 6.569 1.00 0.00 H ATOM 1119 HB2 SER A 77 -4.144 17.836 8.982 1.00 0.00 H ATOM 1120 HB3 SER A 77 -5.540 16.752 9.185 1.00 0.00 H ATOM 1121 HG SER A 77 -6.890 18.479 8.406 1.00 0.00 H ATOM 1122 H SER A 77 -7.157 16.877 7.244 1.00 0.00 H ATOM 1123 N ARG A 78 -4.638 14.747 7.106 1.00 0.00 N ATOM 1124 CA ARG A 78 -3.858 13.521 6.951 1.00 0.00 C ATOM 1125 C ARG A 78 -3.178 13.493 5.589 1.00 0.00 C ATOM 1126 O ARG A 78 -1.989 13.195 5.475 1.00 0.00 O ATOM 1127 CB ARG A 78 -4.771 12.298 7.068 1.00 0.00 C ATOM 1128 CG ARG A 78 -5.386 12.103 8.439 1.00 0.00 C ATOM 1129 CD ARG A 78 -4.377 11.546 9.424 1.00 0.00 C ATOM 1130 NE ARG A 78 -5.014 11.128 10.672 1.00 0.00 N ATOM 1131 CZ ARG A 78 -4.621 10.072 11.380 1.00 0.00 C ATOM 1132 NH1 ARG A 78 -3.557 9.377 11.006 1.00 0.00 N ATOM 1133 NH2 ARG A 78 -5.288 9.718 12.469 1.00 0.00 N ATOM 1134 HA ARG A 78 -3.103 13.497 7.737 1.00 0.00 H ATOM 1135 HB2 ARG A 78 -5.579 12.405 6.344 1.00 0.00 H ATOM 1136 HB3 ARG A 78 -4.185 11.411 6.828 1.00 0.00 H ATOM 1137 HG2 ARG A 78 -5.747 13.064 8.806 1.00 0.00 H ATOM 1138 HG3 ARG A 78 -6.223 11.409 8.357 1.00 0.00 H ATOM 1139 HD2 ARG A 78 -3.637 12.315 9.645 1.00 0.00 H ATOM 1140 HD3 ARG A 78 -3.882 10.685 8.974 1.00 0.00 H ATOM 1141 HE ARG A 78 -5.817 11.686 11.025 1.00 0.00 H ATOM 1142 HH12 ARG A 78 -3.253 8.552 11.562 1.00 0.00 H ATOM 1143 HH11 ARG A 78 -3.026 9.656 10.157 1.00 0.00 H ATOM 1144 HH22 ARG A 78 -4.980 8.893 13.022 1.00 0.00 H ATOM 1145 HH21 ARG A 78 -6.119 10.266 12.771 1.00 0.00 H ATOM 1146 H ARG A 78 -5.657 14.675 7.301 1.00 0.00 H ATOM 1147 N ILE A 79 -3.951 13.815 4.566 1.00 0.00 N ATOM 1148 CA ILE A 79 -3.470 13.808 3.196 1.00 0.00 C ATOM 1149 C ILE A 79 -2.490 14.959 2.958 1.00 0.00 C ATOM 1150 O ILE A 79 -1.481 14.803 2.267 1.00 0.00 O ATOM 1151 CB ILE A 79 -4.651 13.912 2.206 1.00 0.00 C ATOM 1152 CG1 ILE A 79 -5.758 12.931 2.606 1.00 0.00 C ATOM 1153 CG2 ILE A 79 -4.183 13.629 0.784 1.00 0.00 C ATOM 1154 CD1 ILE A 79 -7.006 13.037 1.758 1.00 0.00 C ATOM 1155 HA ILE A 79 -2.949 12.865 3.028 1.00 0.00 H ATOM 1156 HB ILE A 79 -5.048 14.927 2.242 1.00 0.00 H ATOM 1157 HG12 ILE A 79 -5.367 11.917 2.517 1.00 0.00 H ATOM 1158 HG13 ILE A 79 -6.030 13.125 3.644 1.00 0.00 H ATOM 1159 HD11 ILE A 79 -7.418 14.042 1.844 1.00 0.00 H ATOM 1160 HD12 ILE A 79 -6.755 12.834 0.717 1.00 0.00 H ATOM 1161 HD13 ILE A 79 -7.741 12.311 2.104 1.00 0.00 H ATOM 1162 HG21 ILE A 79 -3.420 14.355 0.503 1.00 0.00 H ATOM 1163 HG22 ILE A 79 -3.766 12.623 0.734 1.00 0.00 H ATOM 1164 HG23 ILE A 79 -5.030 13.707 0.102 1.00 0.00 H ATOM 1165 H ILE A 79 -4.939 14.083 4.749 1.00 0.00 H ATOM 1166 N ARG A 80 -2.783 16.109 3.554 1.00 0.00 N ATOM 1167 CA ARG A 80 -1.950 17.302 3.393 1.00 0.00 C ATOM 1168 C ARG A 80 -0.612 17.162 4.115 1.00 0.00 C ATOM 1169 O ARG A 80 0.371 17.797 3.739 1.00 0.00 O ATOM 1170 CB ARG A 80 -2.684 18.546 3.896 1.00 0.00 C ATOM 1171 CG ARG A 80 -3.834 18.968 3.001 1.00 0.00 C ATOM 1172 CD ARG A 80 -4.505 20.230 3.510 1.00 0.00 C ATOM 1173 NE ARG A 80 -5.555 20.691 2.603 1.00 0.00 N ATOM 1174 CZ ARG A 80 -6.399 21.686 2.880 1.00 0.00 C ATOM 1175 NH1 ARG A 80 -6.331 22.311 4.046 1.00 0.00 N ATOM 1176 NH2 ARG A 80 -7.318 22.042 1.989 1.00 0.00 N ATOM 1177 HA ARG A 80 -1.748 17.411 2.327 1.00 0.00 H ATOM 1178 HB2 ARG A 80 -3.078 18.337 4.891 1.00 0.00 H ATOM 1179 HB3 ARG A 80 -1.971 19.368 3.955 1.00 0.00 H ATOM 1180 HG2 ARG A 80 -3.452 19.151 1.997 1.00 0.00 H ATOM 1181 HG3 ARG A 80 -4.570 18.165 2.968 1.00 0.00 H ATOM 1182 HD2 ARG A 80 -3.754 21.014 3.608 1.00 0.00 H ATOM 1183 HD3 ARG A 80 -4.946 20.026 4.486 1.00 0.00 H ATOM 1184 HE ARG A 80 -5.650 20.213 1.684 1.00 0.00 H ATOM 1185 HH12 ARG A 80 -6.990 23.087 4.260 1.00 0.00 H ATOM 1186 HH11 ARG A 80 -5.618 22.026 4.748 1.00 0.00 H ATOM 1187 HH22 ARG A 80 -7.977 22.818 2.203 1.00 0.00 H ATOM 1188 HH21 ARG A 80 -7.378 21.545 1.077 1.00 0.00 H ATOM 1189 H ARG A 80 -3.631 16.164 4.154 1.00 0.00 H ATOM 1190 N ALA A 81 -0.581 16.321 5.143 1.00 0.00 N ATOM 1191 CA ALA A 81 0.619 16.132 5.954 1.00 0.00 C ATOM 1192 C ALA A 81 1.732 15.446 5.169 1.00 0.00 C ATOM 1193 O ALA A 81 2.880 15.388 5.617 1.00 0.00 O ATOM 1194 CB ALA A 81 0.286 15.330 7.202 1.00 0.00 C ATOM 1195 HA ALA A 81 0.981 17.119 6.244 1.00 0.00 H ATOM 1196 HB1 ALA A 81 -0.461 15.865 7.788 1.00 0.00 H ATOM 1197 HB2 ALA A 81 -0.107 14.356 6.912 1.00 0.00 H ATOM 1198 HB3 ALA A 81 1.189 15.196 7.798 1.00 0.00 H ATOM 1199 H ALA A 81 -1.438 15.780 5.378 1.00 0.00 H ATOM 1200 N ALA A 82 1.386 14.920 4.005 1.00 0.00 N ATOM 1201 CA ALA A 82 2.349 14.237 3.160 1.00 0.00 C ATOM 1202 C ALA A 82 3.124 15.231 2.305 1.00 0.00 C ATOM 1203 O ALA A 82 2.549 16.115 1.667 1.00 0.00 O ATOM 1204 CB ALA A 82 1.648 13.221 2.280 1.00 0.00 C ATOM 1205 HA ALA A 82 3.058 13.716 3.804 1.00 0.00 H ATOM 1206 HB1 ALA A 82 1.140 12.488 2.907 1.00 0.00 H ATOM 1207 HB2 ALA A 82 0.918 13.730 1.650 1.00 0.00 H ATOM 1208 HB3 ALA A 82 2.383 12.717 1.652 1.00 0.00 H ATOM 1209 H ALA A 82 0.399 14.998 3.687 1.00 0.00 H ATOM 1210 N LEU A 83 4.440 15.074 2.307 1.00 0.00 N ATOM 1211 CA LEU A 83 5.324 15.946 1.551 1.00 0.00 C ATOM 1212 C LEU A 83 5.211 15.673 0.056 1.00 0.00 C ATOM 1213 O LEU A 83 4.793 16.537 -0.712 1.00 0.00 O ATOM 1214 CB LEU A 83 6.771 15.748 2.002 1.00 0.00 C ATOM 1215 CG LEU A 83 7.029 15.996 3.490 1.00 0.00 C ATOM 1216 CD1 LEU A 83 8.460 15.623 3.847 1.00 0.00 C ATOM 1217 CD2 LEU A 83 6.746 17.448 3.848 1.00 0.00 C ATOM 1218 HA LEU A 83 5.024 16.977 1.739 1.00 0.00 H ATOM 1219 HB2 LEU A 83 7.057 14.721 1.776 1.00 0.00 H ATOM 1220 HB3 LEU A 83 7.399 16.433 1.432 1.00 0.00 H ATOM 1221 HG LEU A 83 6.354 15.366 4.069 1.00 0.00 H ATOM 1222 HD21 LEU A 83 7.396 18.098 3.263 1.00 0.00 H ATOM 1223 HD22 LEU A 83 5.704 17.679 3.626 1.00 0.00 H ATOM 1224 HD23 LEU A 83 6.936 17.603 4.910 1.00 0.00 H ATOM 1225 HD11 LEU A 83 8.625 14.568 3.628 1.00 0.00 H ATOM 1226 HD12 LEU A 83 9.149 16.229 3.260 1.00 0.00 H ATOM 1227 HD13 LEU A 83 8.628 15.805 4.909 1.00 0.00 H ATOM 1228 H LEU A 83 4.854 14.302 2.868 1.00 0.00 H ATOM 1229 N ASN A 84 5.577 14.463 -0.343 1.00 0.00 N ATOM 1230 CA ASN A 84 5.575 14.090 -1.753 1.00 0.00 C ATOM 1231 C ASN A 84 4.451 13.110 -2.063 1.00 0.00 C ATOM 1232 O ASN A 84 3.545 13.423 -2.828 1.00 0.00 O ATOM 1233 CB ASN A 84 6.922 13.473 -2.140 1.00 0.00 C ATOM 1234 CG ASN A 84 6.924 12.855 -3.530 1.00 0.00 C ATOM 1235 OD1 ASN A 84 7.547 11.815 -3.750 1.00 0.00 O ATOM 1236 ND2 ASN A 84 6.273 13.501 -4.486 1.00 0.00 N ATOM 1237 HA ASN A 84 5.411 14.995 -2.338 1.00 0.00 H ATOM 1238 HB2 ASN A 84 7.682 14.253 -2.107 1.00 0.00 H ATOM 1239 HB3 ASN A 84 7.168 12.697 -1.416 1.00 0.00 H ATOM 1240 HD22 ASN A 84 5.757 14.376 -4.264 1.00 0.00 H ATOM 1241 HD21 ASN A 84 6.277 13.133 -5.459 1.00 0.00 H ATOM 1242 H ASN A 84 5.873 13.763 0.367 1.00 0.00 H ATOM 1243 N ALA A 85 4.509 11.930 -1.461 1.00 0.00 N ATOM 1244 CA ALA A 85 3.558 10.879 -1.777 1.00 0.00 C ATOM 1245 C ALA A 85 2.816 10.414 -0.535 1.00 0.00 C ATOM 1246 O ALA A 85 3.393 10.313 0.549 1.00 0.00 O ATOM 1247 CB ALA A 85 4.267 9.704 -2.439 1.00 0.00 C ATOM 1248 HA ALA A 85 2.826 11.289 -2.473 1.00 0.00 H ATOM 1249 HB1 ALA A 85 4.744 10.041 -3.359 1.00 0.00 H ATOM 1250 HB2 ALA A 85 5.023 9.308 -1.760 1.00 0.00 H ATOM 1251 HB3 ALA A 85 3.540 8.925 -2.669 1.00 0.00 H ATOM 1252 H ALA A 85 5.248 11.754 -0.751 1.00 0.00 H ATOM 1253 N VAL A 86 1.536 10.145 -0.708 1.00 0.00 N ATOM 1254 CA VAL A 86 0.697 9.611 0.352 1.00 0.00 C ATOM 1255 C VAL A 86 -0.177 8.490 -0.209 1.00 0.00 C ATOM 1256 O VAL A 86 -0.678 8.589 -1.329 1.00 0.00 O ATOM 1257 CB VAL A 86 -0.178 10.725 0.984 1.00 0.00 C ATOM 1258 CG1 VAL A 86 -0.926 11.512 -0.082 1.00 0.00 C ATOM 1259 CG2 VAL A 86 -1.147 10.151 2.008 1.00 0.00 C ATOM 1260 HA VAL A 86 1.335 9.209 1.139 1.00 0.00 H ATOM 1261 HB VAL A 86 0.492 11.412 1.501 1.00 0.00 H ATOM 1262 HG11 VAL A 86 -0.209 11.976 -0.759 1.00 0.00 H ATOM 1263 HG12 VAL A 86 -1.574 10.838 -0.642 1.00 0.00 H ATOM 1264 HG13 VAL A 86 -1.529 12.284 0.395 1.00 0.00 H ATOM 1265 HG21 VAL A 86 -1.802 9.428 1.521 1.00 0.00 H ATOM 1266 HG22 VAL A 86 -0.585 9.658 2.801 1.00 0.00 H ATOM 1267 HG23 VAL A 86 -1.745 10.957 2.432 1.00 0.00 H ATOM 1268 H VAL A 86 1.110 10.322 -1.640 1.00 0.00 H ATOM 1269 N ARG A 87 -0.326 7.413 0.546 1.00 0.00 N ATOM 1270 CA ARG A 87 -1.110 6.276 0.089 1.00 0.00 C ATOM 1271 C ARG A 87 -2.559 6.413 0.542 1.00 0.00 C ATOM 1272 O ARG A 87 -2.866 6.285 1.725 1.00 0.00 O ATOM 1273 CB ARG A 87 -0.521 4.964 0.620 1.00 0.00 C ATOM 1274 CG ARG A 87 0.968 4.803 0.353 1.00 0.00 C ATOM 1275 CD ARG A 87 1.448 3.394 0.676 1.00 0.00 C ATOM 1276 NE ARG A 87 1.154 3.000 2.058 1.00 0.00 N ATOM 1277 CZ ARG A 87 0.997 1.731 2.448 1.00 0.00 C ATOM 1278 NH1 ARG A 87 1.166 0.745 1.574 1.00 0.00 N ATOM 1279 NH2 ARG A 87 0.692 1.448 3.711 1.00 0.00 N ATOM 1280 HA ARG A 87 -1.079 6.258 -1.000 1.00 0.00 H ATOM 1281 HB2 ARG A 87 -0.683 4.926 1.697 1.00 0.00 H ATOM 1282 HB3 ARG A 87 -1.046 4.135 0.146 1.00 0.00 H ATOM 1283 HG2 ARG A 87 1.163 5.011 -0.699 1.00 0.00 H ATOM 1284 HG3 ARG A 87 1.517 5.514 0.970 1.00 0.00 H ATOM 1285 HD2 ARG A 87 2.526 3.348 0.522 1.00 0.00 H ATOM 1286 HD3 ARG A 87 0.956 2.694 0.001 1.00 0.00 H ATOM 1287 HE ARG A 87 1.063 3.749 2.774 1.00 0.00 H ATOM 1288 HH12 ARG A 87 1.044 -0.243 1.875 1.00 0.00 H ATOM 1289 HH11 ARG A 87 1.420 0.961 0.589 1.00 0.00 H ATOM 1290 HH22 ARG A 87 0.571 0.459 4.008 1.00 0.00 H ATOM 1291 HH21 ARG A 87 0.574 2.216 4.402 1.00 0.00 H ATOM 1292 H ARG A 87 0.125 7.379 1.482 1.00 0.00 H ATOM 1293 N LEU A 88 -3.441 6.672 -0.406 1.00 0.00 N ATOM 1294 CA LEU A 88 -4.859 6.830 -0.120 1.00 0.00 C ATOM 1295 C LEU A 88 -5.592 5.528 -0.404 1.00 0.00 C ATOM 1296 O LEU A 88 -5.647 5.084 -1.548 1.00 0.00 O ATOM 1297 CB LEU A 88 -5.471 7.953 -0.979 1.00 0.00 C ATOM 1298 CG LEU A 88 -5.062 9.393 -0.628 1.00 0.00 C ATOM 1299 CD1 LEU A 88 -5.398 9.714 0.816 1.00 0.00 C ATOM 1300 CD2 LEU A 88 -3.590 9.631 -0.890 1.00 0.00 C ATOM 1301 HA LEU A 88 -4.966 7.094 0.932 1.00 0.00 H ATOM 1302 HB2 LEU A 88 -5.183 7.771 -2.014 1.00 0.00 H ATOM 1303 HB3 LEU A 88 -6.555 7.886 -0.887 1.00 0.00 H ATOM 1304 HG LEU A 88 -5.632 10.060 -1.275 1.00 0.00 H ATOM 1305 HD21 LEU A 88 -2.999 8.946 -0.282 1.00 0.00 H ATOM 1306 HD22 LEU A 88 -3.378 9.459 -1.945 1.00 0.00 H ATOM 1307 HD23 LEU A 88 -3.338 10.659 -0.630 1.00 0.00 H ATOM 1308 HD11 LEU A 88 -6.472 9.606 0.970 1.00 0.00 H ATOM 1309 HD12 LEU A 88 -4.864 9.027 1.473 1.00 0.00 H ATOM 1310 HD13 LEU A 88 -5.099 10.738 1.038 1.00 0.00 H ATOM 1311 H LEU A 88 -3.112 6.766 -1.388 1.00 0.00 H ATOM 1312 N LEU A 89 -6.142 4.902 0.621 1.00 0.00 N ATOM 1313 CA LEU A 89 -6.900 3.685 0.404 1.00 0.00 C ATOM 1314 C LEU A 89 -8.354 4.056 0.181 1.00 0.00 C ATOM 1315 O LEU A 89 -9.004 4.615 1.071 1.00 0.00 O ATOM 1316 CB LEU A 89 -6.785 2.726 1.589 1.00 0.00 C ATOM 1317 CG LEU A 89 -7.186 1.281 1.276 1.00 0.00 C ATOM 1318 CD1 LEU A 89 -6.004 0.502 0.719 1.00 0.00 C ATOM 1319 CD2 LEU A 89 -7.745 0.598 2.506 1.00 0.00 C ATOM 1320 HA LEU A 89 -6.495 3.173 -0.469 1.00 0.00 H ATOM 1321 HB2 LEU A 89 -5.749 2.727 1.929 1.00 0.00 H ATOM 1322 HB3 LEU A 89 -7.429 3.093 2.388 1.00 0.00 H ATOM 1323 HG LEU A 89 -7.967 1.304 0.517 1.00 0.00 H ATOM 1324 HD21 LEU A 89 -6.989 0.591 3.291 1.00 0.00 H ATOM 1325 HD22 LEU A 89 -8.625 1.140 2.852 1.00 0.00 H ATOM 1326 HD23 LEU A 89 -8.022 -0.426 2.257 1.00 0.00 H ATOM 1327 HD11 LEU A 89 -5.657 0.978 -0.198 1.00 0.00 H ATOM 1328 HD12 LEU A 89 -5.198 0.493 1.453 1.00 0.00 H ATOM 1329 HD13 LEU A 89 -6.313 -0.521 0.504 1.00 0.00 H ATOM 1330 H LEU A 89 -6.031 5.282 1.583 1.00 0.00 H ATOM 1331 N VAL A 90 -8.864 3.746 -0.997 1.00 0.00 N ATOM 1332 CA VAL A 90 -10.210 4.150 -1.365 1.00 0.00 C ATOM 1333 C VAL A 90 -11.011 2.964 -1.871 1.00 0.00 C ATOM 1334 O VAL A 90 -10.455 1.993 -2.392 1.00 0.00 O ATOM 1335 CB VAL A 90 -10.207 5.271 -2.436 1.00 0.00 C ATOM 1336 CG1 VAL A 90 -9.660 6.566 -1.852 1.00 0.00 C ATOM 1337 CG2 VAL A 90 -9.405 4.863 -3.670 1.00 0.00 C ATOM 1338 HA VAL A 90 -10.679 4.544 -0.463 1.00 0.00 H ATOM 1339 HB VAL A 90 -11.239 5.434 -2.747 1.00 0.00 H ATOM 1340 HG11 VAL A 90 -10.284 6.878 -1.015 1.00 0.00 H ATOM 1341 HG12 VAL A 90 -8.639 6.404 -1.505 1.00 0.00 H ATOM 1342 HG13 VAL A 90 -9.666 7.340 -2.619 1.00 0.00 H ATOM 1343 HG21 VAL A 90 -8.374 4.658 -3.381 1.00 0.00 H ATOM 1344 HG22 VAL A 90 -9.845 3.967 -4.108 1.00 0.00 H ATOM 1345 HG23 VAL A 90 -9.425 5.673 -4.399 1.00 0.00 H ATOM 1346 H VAL A 90 -8.291 3.202 -1.674 1.00 0.00 H ATOM 1347 N VAL A 91 -12.316 3.040 -1.699 1.00 0.00 N ATOM 1348 CA VAL A 91 -13.206 1.989 -2.148 1.00 0.00 C ATOM 1349 C VAL A 91 -14.547 2.588 -2.549 1.00 0.00 C ATOM 1350 O VAL A 91 -14.965 3.614 -2.002 1.00 0.00 O ATOM 1351 CB VAL A 91 -13.400 0.915 -1.046 1.00 0.00 C ATOM 1352 CG1 VAL A 91 -14.051 1.508 0.197 1.00 0.00 C ATOM 1353 CG2 VAL A 91 -14.206 -0.265 -1.571 1.00 0.00 C ATOM 1354 HA VAL A 91 -12.758 1.501 -3.014 1.00 0.00 H ATOM 1355 HB VAL A 91 -12.413 0.551 -0.762 1.00 0.00 H ATOM 1356 HG11 VAL A 91 -13.418 2.302 0.593 1.00 0.00 H ATOM 1357 HG12 VAL A 91 -15.027 1.917 -0.065 1.00 0.00 H ATOM 1358 HG13 VAL A 91 -14.172 0.728 0.949 1.00 0.00 H ATOM 1359 HG21 VAL A 91 -15.186 0.083 -1.898 1.00 0.00 H ATOM 1360 HG22 VAL A 91 -13.680 -0.717 -2.412 1.00 0.00 H ATOM 1361 HG23 VAL A 91 -14.327 -1.003 -0.778 1.00 0.00 H ATOM 1362 H VAL A 91 -12.717 3.876 -1.229 1.00 0.00 H ATOM 1363 N ASP A 92 -15.197 1.969 -3.522 1.00 0.00 N ATOM 1364 CA ASP A 92 -16.523 2.386 -3.951 1.00 0.00 C ATOM 1365 C ASP A 92 -17.510 2.115 -2.826 1.00 0.00 C ATOM 1366 O ASP A 92 -17.544 1.014 -2.286 1.00 0.00 O ATOM 1367 CB ASP A 92 -16.963 1.602 -5.194 1.00 0.00 C ATOM 1368 CG ASP A 92 -15.799 1.061 -6.001 1.00 0.00 C ATOM 1369 OD1 ASP A 92 -15.202 0.051 -5.576 1.00 0.00 O ATOM 1370 OD2 ASP A 92 -15.488 1.624 -7.071 1.00 0.00 O ATOM 1371 HA ASP A 92 -16.497 3.448 -4.195 1.00 0.00 H ATOM 1372 HB2 ASP A 92 -17.583 0.764 -4.874 1.00 0.00 H ATOM 1373 HB3 ASP A 92 -17.550 2.263 -5.832 1.00 0.00 H ATOM 1374 H ASP A 92 -14.746 1.160 -3.994 1.00 0.00 H ATOM 1375 N PRO A 93 -18.322 3.120 -2.460 1.00 0.00 N ATOM 1376 CA PRO A 93 -19.309 2.995 -1.381 1.00 0.00 C ATOM 1377 C PRO A 93 -20.300 1.869 -1.645 1.00 0.00 C ATOM 1378 O PRO A 93 -20.811 1.247 -0.717 1.00 0.00 O ATOM 1379 CB PRO A 93 -20.023 4.349 -1.381 1.00 0.00 C ATOM 1380 CG PRO A 93 -19.081 5.281 -2.060 1.00 0.00 C ATOM 1381 CD PRO A 93 -18.345 4.456 -3.073 1.00 0.00 C ATOM 1382 HA PRO A 93 -18.842 2.753 -0.426 1.00 0.00 H ATOM 1383 HD3 PRO A 93 -18.875 4.441 -4.026 1.00 0.00 H ATOM 1384 HD2 PRO A 93 -17.334 4.834 -3.227 1.00 0.00 H ATOM 1385 HG3 PRO A 93 -18.384 5.708 -1.339 1.00 0.00 H ATOM 1386 HG2 PRO A 93 -19.630 6.084 -2.551 1.00 0.00 H ATOM 1387 HB2 PRO A 93 -20.963 4.287 -1.929 1.00 0.00 H ATOM 1388 HB3 PRO A 93 -20.220 4.679 -0.361 1.00 0.00 H ATOM 1389 N GLU A 94 -20.555 1.613 -2.922 1.00 0.00 N ATOM 1390 CA GLU A 94 -21.423 0.519 -3.329 1.00 0.00 C ATOM 1391 C GLU A 94 -20.744 -0.817 -3.039 1.00 0.00 C ATOM 1392 O GLU A 94 -21.370 -1.750 -2.537 1.00 0.00 O ATOM 1393 CB GLU A 94 -21.756 0.617 -4.825 1.00 0.00 C ATOM 1394 CG GLU A 94 -22.504 1.885 -5.234 1.00 0.00 C ATOM 1395 CD GLU A 94 -21.649 3.137 -5.163 1.00 0.00 C ATOM 1396 OE1 GLU A 94 -20.735 3.291 -6.004 1.00 0.00 O ATOM 1397 OE2 GLU A 94 -21.874 3.961 -4.253 1.00 0.00 O ATOM 1398 HA GLU A 94 -22.351 0.586 -2.761 1.00 0.00 H ATOM 1399 HB2 GLU A 94 -20.821 0.580 -5.384 1.00 0.00 H ATOM 1400 HB3 GLU A 94 -22.372 -0.241 -5.092 1.00 0.00 H ATOM 1401 HG2 GLU A 94 -22.856 1.764 -6.258 1.00 0.00 H ATOM 1402 HG3 GLU A 94 -23.359 2.012 -4.570 1.00 0.00 H ATOM 1403 H GLU A 94 -20.121 2.212 -3.653 1.00 0.00 H ATOM 1404 N THR A 95 -19.455 -0.892 -3.355 1.00 0.00 N ATOM 1405 CA THR A 95 -18.667 -2.093 -3.129 1.00 0.00 C ATOM 1406 C THR A 95 -18.415 -2.293 -1.635 1.00 0.00 C ATOM 1407 O THR A 95 -18.323 -3.422 -1.158 1.00 0.00 O ATOM 1408 CB THR A 95 -17.317 -2.008 -3.870 1.00 0.00 C ATOM 1409 OG1 THR A 95 -17.530 -1.566 -5.217 1.00 0.00 O ATOM 1410 CG2 THR A 95 -16.614 -3.358 -3.891 1.00 0.00 C ATOM 1411 HA THR A 95 -19.231 -2.942 -3.516 1.00 0.00 H ATOM 1412 HB THR A 95 -16.685 -1.296 -3.339 1.00 0.00 H ATOM 1413 HG1 THR A 95 -16.660 -1.513 -5.687 1.00 0.00 H ATOM 1414 HG23 THR A 95 -16.450 -3.697 -2.868 1.00 0.00 H ATOM 1415 HG21 THR A 95 -17.235 -4.081 -4.420 1.00 0.00 H ATOM 1416 HG22 THR A 95 -15.655 -3.259 -4.400 1.00 0.00 H ATOM 1417 H THR A 95 -18.994 -0.062 -3.779 1.00 0.00 H ATOM 1418 N ASP A 96 -18.339 -1.181 -0.906 1.00 0.00 N ATOM 1419 CA ASP A 96 -18.084 -1.197 0.537 1.00 0.00 C ATOM 1420 C ASP A 96 -19.156 -2.007 1.258 1.00 0.00 C ATOM 1421 O ASP A 96 -18.876 -2.695 2.240 1.00 0.00 O ATOM 1422 CB ASP A 96 -18.057 0.239 1.078 1.00 0.00 C ATOM 1423 CG ASP A 96 -17.686 0.322 2.550 1.00 0.00 C ATOM 1424 OD1 ASP A 96 -18.587 0.201 3.407 1.00 0.00 O ATOM 1425 OD2 ASP A 96 -16.494 0.544 2.851 1.00 0.00 O ATOM 1426 HA ASP A 96 -17.116 -1.665 0.716 1.00 0.00 H ATOM 1427 HB2 ASP A 96 -17.328 0.811 0.505 1.00 0.00 H ATOM 1428 HB3 ASP A 96 -19.046 0.677 0.945 1.00 0.00 H ATOM 1429 H ASP A 96 -18.466 -0.264 -1.380 1.00 0.00 H ATOM 1430 N GLU A 97 -20.373 -1.940 0.733 1.00 0.00 N ATOM 1431 CA GLU A 97 -21.498 -2.704 1.260 1.00 0.00 C ATOM 1432 C GLU A 97 -21.194 -4.203 1.229 1.00 0.00 C ATOM 1433 O GLU A 97 -21.466 -4.927 2.187 1.00 0.00 O ATOM 1434 CB GLU A 97 -22.748 -2.403 0.430 1.00 0.00 C ATOM 1435 CG GLU A 97 -23.182 -0.948 0.493 1.00 0.00 C ATOM 1436 CD GLU A 97 -24.163 -0.584 -0.601 1.00 0.00 C ATOM 1437 OE1 GLU A 97 -25.127 -1.347 -0.827 1.00 0.00 O ATOM 1438 OE2 GLU A 97 -23.985 0.475 -1.236 1.00 0.00 O ATOM 1439 HA GLU A 97 -21.670 -2.413 2.296 1.00 0.00 H ATOM 1440 HB2 GLU A 97 -22.541 -2.657 -0.610 1.00 0.00 H ATOM 1441 HB3 GLU A 97 -23.565 -3.023 0.799 1.00 0.00 H ATOM 1442 HG2 GLU A 97 -23.653 -0.766 1.459 1.00 0.00 H ATOM 1443 HG3 GLU A 97 -22.299 -0.316 0.395 1.00 0.00 H ATOM 1444 H GLU A 97 -20.531 -1.319 -0.086 1.00 0.00 H ATOM 1445 N GLN A 98 -20.631 -4.659 0.120 1.00 0.00 N ATOM 1446 CA GLN A 98 -20.236 -6.054 -0.023 1.00 0.00 C ATOM 1447 C GLN A 98 -19.002 -6.361 0.828 1.00 0.00 C ATOM 1448 O GLN A 98 -18.923 -7.412 1.470 1.00 0.00 O ATOM 1449 CB GLN A 98 -19.959 -6.377 -1.497 1.00 0.00 C ATOM 1450 CG GLN A 98 -19.618 -7.837 -1.758 1.00 0.00 C ATOM 1451 CD GLN A 98 -20.746 -8.780 -1.389 1.00 0.00 C ATOM 1452 OE1 GLN A 98 -21.619 -9.072 -2.206 1.00 0.00 O ATOM 1453 NE2 GLN A 98 -20.735 -9.265 -0.156 1.00 0.00 N ATOM 1454 HA GLN A 98 -21.056 -6.680 0.328 1.00 0.00 H ATOM 1455 HB2 GLN A 98 -20.847 -6.123 -2.076 1.00 0.00 H ATOM 1456 HB3 GLN A 98 -19.122 -5.764 -1.831 1.00 0.00 H ATOM 1457 HG2 GLN A 98 -19.395 -7.959 -2.818 1.00 0.00 H ATOM 1458 HG3 GLN A 98 -18.738 -8.100 -1.171 1.00 0.00 H ATOM 1459 HE22 GLN A 98 -19.978 -8.992 0.503 1.00 0.00 H ATOM 1460 HE21 GLN A 98 -21.483 -9.918 0.152 1.00 0.00 H ATOM 1461 H GLN A 98 -20.466 -4.003 -0.670 1.00 0.00 H ATOM 1462 N LEU A 99 -18.055 -5.428 0.835 1.00 0.00 N ATOM 1463 CA LEU A 99 -16.759 -5.632 1.485 1.00 0.00 C ATOM 1464 C LEU A 99 -16.898 -5.758 2.998 1.00 0.00 C ATOM 1465 O LEU A 99 -16.267 -6.617 3.619 1.00 0.00 O ATOM 1466 CB LEU A 99 -15.802 -4.484 1.165 1.00 0.00 C ATOM 1467 CG LEU A 99 -15.531 -4.232 -0.320 1.00 0.00 C ATOM 1468 CD1 LEU A 99 -14.158 -3.628 -0.488 1.00 0.00 C ATOM 1469 CD2 LEU A 99 -15.651 -5.508 -1.135 1.00 0.00 C ATOM 1470 HA LEU A 99 -16.354 -6.565 1.093 1.00 0.00 H ATOM 1471 HB2 LEU A 99 -16.222 -3.571 1.587 1.00 0.00 H ATOM 1472 HB3 LEU A 99 -14.848 -4.700 1.647 1.00 0.00 H ATOM 1473 HG LEU A 99 -16.283 -3.536 -0.691 1.00 0.00 H ATOM 1474 HD21 LEU A 99 -14.928 -6.239 -0.772 1.00 0.00 H ATOM 1475 HD22 LEU A 99 -16.659 -5.910 -1.032 1.00 0.00 H ATOM 1476 HD23 LEU A 99 -15.452 -5.288 -2.184 1.00 0.00 H ATOM 1477 HD11 LEU A 99 -14.109 -2.684 0.055 1.00 0.00 H ATOM 1478 HD12 LEU A 99 -13.409 -4.315 -0.094 1.00 0.00 H ATOM 1479 HD13 LEU A 99 -13.968 -3.450 -1.546 1.00 0.00 H ATOM 1480 H LEU A 99 -18.241 -4.521 0.362 1.00 0.00 H ATOM 1481 N GLN A 100 -17.723 -4.900 3.587 1.00 0.00 N ATOM 1482 CA GLN A 100 -17.913 -4.884 5.033 1.00 0.00 C ATOM 1483 C GLN A 100 -18.444 -6.227 5.535 1.00 0.00 C ATOM 1484 O GLN A 100 -18.124 -6.657 6.641 1.00 0.00 O ATOM 1485 CB GLN A 100 -18.844 -3.738 5.447 1.00 0.00 C ATOM 1486 CG GLN A 100 -20.272 -3.874 4.943 1.00 0.00 C ATOM 1487 CD GLN A 100 -21.102 -2.626 5.183 1.00 0.00 C ATOM 1488 OE1 GLN A 100 -22.308 -2.706 5.412 1.00 0.00 O ATOM 1489 NE2 GLN A 100 -20.473 -1.463 5.099 1.00 0.00 N ATOM 1490 HA GLN A 100 -16.941 -4.716 5.497 1.00 0.00 H ATOM 1491 HB2 GLN A 100 -18.869 -3.696 6.536 1.00 0.00 H ATOM 1492 HB3 GLN A 100 -18.432 -2.807 5.058 1.00 0.00 H ATOM 1493 HG2 GLN A 100 -20.246 -4.075 3.872 1.00 0.00 H ATOM 1494 HG3 GLN A 100 -20.745 -4.711 5.457 1.00 0.00 H ATOM 1495 HE22 GLN A 100 -19.452 -1.437 4.904 1.00 0.00 H ATOM 1496 HE21 GLN A 100 -21.000 -0.576 5.228 1.00 0.00 H ATOM 1497 H GLN A 100 -18.248 -4.220 3.001 1.00 0.00 H ATOM 1498 N LYS A 101 -19.261 -6.881 4.713 1.00 0.00 N ATOM 1499 CA LYS A 101 -19.820 -8.186 5.057 1.00 0.00 C ATOM 1500 C LYS A 101 -18.751 -9.277 5.058 1.00 0.00 C ATOM 1501 O LYS A 101 -18.943 -10.342 5.647 1.00 0.00 O ATOM 1502 CB LYS A 101 -20.954 -8.555 4.097 1.00 0.00 C ATOM 1503 CG LYS A 101 -22.251 -7.829 4.397 1.00 0.00 C ATOM 1504 CD LYS A 101 -22.721 -8.135 5.807 1.00 0.00 C ATOM 1505 CE LYS A 101 -24.055 -7.485 6.116 1.00 0.00 C ATOM 1506 NZ LYS A 101 -24.498 -7.779 7.503 1.00 0.00 N ATOM 1507 HA LYS A 101 -20.221 -8.113 6.068 1.00 0.00 H ATOM 1508 HB2 LYS A 101 -20.644 -8.306 3.082 1.00 0.00 H ATOM 1509 HB3 LYS A 101 -21.133 -9.628 4.168 1.00 0.00 H ATOM 1510 HG2 LYS A 101 -22.092 -6.755 4.297 1.00 0.00 H ATOM 1511 HG3 LYS A 101 -23.014 -8.150 3.687 1.00 0.00 H ATOM 1512 HD2 LYS A 101 -22.821 -9.215 5.918 1.00 0.00 H ATOM 1513 HD3 LYS A 101 -21.978 -7.766 6.514 1.00 0.00 H ATOM 1514 HE2 LYS A 101 -24.803 -7.862 5.418 1.00 0.00 H ATOM 1515 HE3 LYS A 101 -23.959 -6.406 5.996 1.00 0.00 H ATOM 1516 HZ1 LYS A 101 -24.597 -8.807 7.623 1.00 0.00 H ATOM 1517 HZ2 LYS A 101 -23.792 -7.417 8.175 1.00 0.00 H ATOM 1518 HZ3 LYS A 101 -25.414 -7.318 7.678 1.00 0.00 H ATOM 1519 H LYS A 101 -19.509 -6.451 3.799 1.00 0.00 H ATOM 1520 N LEU A 102 -17.634 -9.018 4.390 1.00 0.00 N ATOM 1521 CA LEU A 102 -16.536 -9.971 4.364 1.00 0.00 C ATOM 1522 C LEU A 102 -15.607 -9.724 5.545 1.00 0.00 C ATOM 1523 O LEU A 102 -15.248 -10.643 6.279 1.00 0.00 O ATOM 1524 CB LEU A 102 -15.761 -9.887 3.044 1.00 0.00 C ATOM 1525 CG LEU A 102 -16.614 -10.009 1.776 1.00 0.00 C ATOM 1526 CD1 LEU A 102 -15.728 -10.119 0.548 1.00 0.00 C ATOM 1527 CD2 LEU A 102 -17.552 -11.203 1.863 1.00 0.00 C ATOM 1528 HA LEU A 102 -16.951 -10.976 4.442 1.00 0.00 H ATOM 1529 HB2 LEU A 102 -15.248 -8.926 3.014 1.00 0.00 H ATOM 1530 HB3 LEU A 102 -15.024 -10.690 3.034 1.00 0.00 H ATOM 1531 HG LEU A 102 -17.220 -9.107 1.689 1.00 0.00 H ATOM 1532 HD21 LEU A 102 -16.967 -12.115 1.981 1.00 0.00 H ATOM 1533 HD22 LEU A 102 -18.214 -11.081 2.720 1.00 0.00 H ATOM 1534 HD23 LEU A 102 -18.145 -11.265 0.950 1.00 0.00 H ATOM 1535 HD11 LEU A 102 -15.103 -9.229 0.471 1.00 0.00 H ATOM 1536 HD12 LEU A 102 -15.095 -11.002 0.636 1.00 0.00 H ATOM 1537 HD13 LEU A 102 -16.352 -10.205 -0.342 1.00 0.00 H ATOM 1538 H LEU A 102 -17.542 -8.118 3.876 1.00 0.00 H ATOM 1539 N GLY A 103 -15.243 -8.453 5.721 1.00 0.00 N ATOM 1540 CA GLY A 103 -14.533 -8.010 6.914 1.00 0.00 C ATOM 1541 C GLY A 103 -13.174 -8.653 7.109 1.00 0.00 C ATOM 1542 O GLY A 103 -12.639 -8.639 8.221 1.00 0.00 O ATOM 1543 HA3 GLY A 103 -15.148 -8.242 7.783 1.00 0.00 H ATOM 1544 HA2 GLY A 103 -14.394 -6.931 6.847 1.00 0.00 H ATOM 1545 H GLY A 103 -15.473 -7.756 4.984 1.00 0.00 H ATOM 1546 N VAL A 104 -12.608 -9.210 6.047 1.00 0.00 N ATOM 1547 CA VAL A 104 -11.304 -9.858 6.137 1.00 0.00 C ATOM 1548 C VAL A 104 -10.181 -8.824 6.167 1.00 0.00 C ATOM 1549 O VAL A 104 -10.409 -7.628 5.961 1.00 0.00 O ATOM 1550 CB VAL A 104 -11.058 -10.841 4.968 1.00 0.00 C ATOM 1551 CG1 VAL A 104 -12.227 -11.801 4.808 1.00 0.00 C ATOM 1552 CG2 VAL A 104 -10.781 -10.094 3.669 1.00 0.00 C ATOM 1553 HA VAL A 104 -11.305 -10.425 7.068 1.00 0.00 H ATOM 1554 HB VAL A 104 -10.172 -11.429 5.208 1.00 0.00 H ATOM 1555 HG11 VAL A 104 -12.353 -12.374 5.727 1.00 0.00 H ATOM 1556 HG12 VAL A 104 -13.135 -11.234 4.604 1.00 0.00 H ATOM 1557 HG13 VAL A 104 -12.027 -12.480 3.979 1.00 0.00 H ATOM 1558 HG21 VAL A 104 -11.638 -9.467 3.422 1.00 0.00 H ATOM 1559 HG22 VAL A 104 -9.896 -9.470 3.792 1.00 0.00 H ATOM 1560 HG23 VAL A 104 -10.612 -10.813 2.867 1.00 0.00 H ATOM 1561 H VAL A 104 -13.103 -9.184 5.133 1.00 0.00 H ATOM 1562 N GLN A 105 -8.970 -9.305 6.423 1.00 0.00 N ATOM 1563 CA GLN A 105 -7.777 -8.468 6.493 1.00 0.00 C ATOM 1564 C GLN A 105 -7.333 -8.010 5.104 1.00 0.00 C ATOM 1565 O GLN A 105 -6.213 -8.275 4.670 1.00 0.00 O ATOM 1566 CB GLN A 105 -6.655 -9.248 7.168 1.00 0.00 C ATOM 1567 CG GLN A 105 -6.882 -9.471 8.653 1.00 0.00 C ATOM 1568 CD GLN A 105 -6.022 -10.585 9.210 1.00 0.00 C ATOM 1569 OE1 GLN A 105 -4.890 -10.364 9.636 1.00 0.00 O ATOM 1570 NE2 GLN A 105 -6.560 -11.794 9.209 1.00 0.00 N ATOM 1571 HA GLN A 105 -8.014 -7.578 7.075 1.00 0.00 H ATOM 1572 HB2 GLN A 105 -6.569 -10.220 6.682 1.00 0.00 H ATOM 1573 HB3 GLN A 105 -5.724 -8.695 7.040 1.00 0.00 H ATOM 1574 HG2 GLN A 105 -6.648 -8.549 9.185 1.00 0.00 H ATOM 1575 HG3 GLN A 105 -7.930 -9.725 8.812 1.00 0.00 H ATOM 1576 HE22 GLN A 105 -7.522 -11.935 8.839 1.00 0.00 H ATOM 1577 HE21 GLN A 105 -6.021 -12.603 9.579 1.00 0.00 H ATOM 1578 H GLN A 105 -8.867 -10.328 6.581 1.00 0.00 H ATOM 1579 N VAL A 106 -8.227 -7.326 4.416 1.00 0.00 N ATOM 1580 CA VAL A 106 -7.952 -6.800 3.086 1.00 0.00 C ATOM 1581 C VAL A 106 -7.200 -5.473 3.177 1.00 0.00 C ATOM 1582 O VAL A 106 -6.842 -4.871 2.165 1.00 0.00 O ATOM 1583 CB VAL A 106 -9.263 -6.604 2.294 1.00 0.00 C ATOM 1584 CG1 VAL A 106 -10.051 -5.416 2.829 1.00 0.00 C ATOM 1585 CG2 VAL A 106 -8.984 -6.450 0.807 1.00 0.00 C ATOM 1586 HA VAL A 106 -7.329 -7.524 2.561 1.00 0.00 H ATOM 1587 HB VAL A 106 -9.873 -7.497 2.428 1.00 0.00 H ATOM 1588 HG11 VAL A 106 -10.297 -5.587 3.877 1.00 0.00 H ATOM 1589 HG12 VAL A 106 -9.449 -4.512 2.739 1.00 0.00 H ATOM 1590 HG13 VAL A 106 -10.969 -5.301 2.253 1.00 0.00 H ATOM 1591 HG21 VAL A 106 -8.345 -5.582 0.647 1.00 0.00 H ATOM 1592 HG22 VAL A 106 -8.483 -7.345 0.438 1.00 0.00 H ATOM 1593 HG23 VAL A 106 -9.925 -6.314 0.274 1.00 0.00 H ATOM 1594 H VAL A 106 -9.162 -7.156 4.839 1.00 0.00 H ATOM 1595 N ARG A 107 -6.939 -5.045 4.408 1.00 0.00 N ATOM 1596 CA ARG A 107 -6.423 -3.708 4.674 1.00 0.00 C ATOM 1597 C ARG A 107 -5.064 -3.507 4.009 1.00 0.00 C ATOM 1598 O ARG A 107 -4.840 -2.503 3.338 1.00 0.00 O ATOM 1599 CB ARG A 107 -6.304 -3.520 6.188 1.00 0.00 C ATOM 1600 CG ARG A 107 -6.336 -2.075 6.643 1.00 0.00 C ATOM 1601 CD ARG A 107 -6.336 -1.989 8.162 1.00 0.00 C ATOM 1602 NE ARG A 107 -7.020 -0.794 8.631 1.00 0.00 N ATOM 1603 CZ ARG A 107 -7.826 -0.754 9.687 1.00 0.00 C ATOM 1604 NH1 ARG A 107 -7.952 -1.807 10.486 1.00 0.00 N ATOM 1605 NH2 ARG A 107 -8.492 0.356 9.948 1.00 0.00 N ATOM 1606 HA ARG A 107 -7.108 -2.968 4.260 1.00 0.00 H ATOM 1607 HB2 ARG A 107 -7.132 -4.046 6.663 1.00 0.00 H ATOM 1608 HB3 ARG A 107 -5.361 -3.960 6.513 1.00 0.00 H ATOM 1609 HG2 ARG A 107 -5.458 -1.558 6.255 1.00 0.00 H ATOM 1610 HG3 ARG A 107 -7.237 -1.598 6.257 1.00 0.00 H ATOM 1611 HD2 ARG A 107 -5.305 -1.968 8.515 1.00 0.00 H ATOM 1612 HD3 ARG A 107 -6.840 -2.867 8.566 1.00 0.00 H ATOM 1613 HE ARG A 107 -6.868 0.090 8.104 1.00 0.00 H ATOM 1614 HH12 ARG A 107 -8.586 -1.762 11.309 1.00 0.00 H ATOM 1615 HH11 ARG A 107 -7.416 -2.676 10.289 1.00 0.00 H ATOM 1616 HH22 ARG A 107 -9.126 0.401 10.771 1.00 0.00 H ATOM 1617 HH21 ARG A 107 -8.383 1.186 9.330 1.00 0.00 H ATOM 1618 H ARG A 107 -7.109 -5.686 5.209 1.00 0.00 H ATOM 1619 N GLU A 108 -4.174 -4.477 4.183 1.00 0.00 N ATOM 1620 CA GLU A 108 -2.892 -4.480 3.484 1.00 0.00 C ATOM 1621 C GLU A 108 -2.457 -5.907 3.162 1.00 0.00 C ATOM 1622 O GLU A 108 -1.746 -6.135 2.189 1.00 0.00 O ATOM 1623 CB GLU A 108 -1.803 -3.774 4.302 1.00 0.00 C ATOM 1624 CG GLU A 108 -1.994 -2.267 4.416 1.00 0.00 C ATOM 1625 CD GLU A 108 -0.875 -1.601 5.189 1.00 0.00 C ATOM 1626 OE1 GLU A 108 -0.876 -1.688 6.436 1.00 0.00 O ATOM 1627 OE2 GLU A 108 0.021 -1.003 4.553 1.00 0.00 O ATOM 1628 HA GLU A 108 -3.028 -3.930 2.553 1.00 0.00 H ATOM 1629 HB2 GLU A 108 -1.800 -4.197 5.307 1.00 0.00 H ATOM 1630 HB3 GLU A 108 -0.840 -3.963 3.827 1.00 0.00 H ATOM 1631 HG2 GLU A 108 -2.029 -1.841 3.413 1.00 0.00 H ATOM 1632 HG3 GLU A 108 -2.937 -2.071 4.926 1.00 0.00 H ATOM 1633 H GLU A 108 -4.396 -5.256 4.835 1.00 0.00 H ATOM 1634 N GLU A 109 -2.896 -6.864 3.977 1.00 0.00 N ATOM 1635 CA GLU A 109 -2.564 -8.276 3.769 1.00 0.00 C ATOM 1636 C GLU A 109 -2.973 -8.744 2.369 1.00 0.00 C ATOM 1637 O GLU A 109 -2.176 -9.344 1.646 1.00 0.00 O ATOM 1638 CB GLU A 109 -3.247 -9.131 4.845 1.00 0.00 C ATOM 1639 CG GLU A 109 -3.110 -10.635 4.644 1.00 0.00 C ATOM 1640 CD GLU A 109 -1.672 -11.108 4.632 1.00 0.00 C ATOM 1641 OE1 GLU A 109 -1.035 -11.122 5.705 1.00 0.00 O ATOM 1642 OE2 GLU A 109 -1.171 -11.472 3.546 1.00 0.00 O ATOM 1643 HA GLU A 109 -1.483 -8.392 3.851 1.00 0.00 H ATOM 1644 HB2 GLU A 109 -2.810 -8.876 5.810 1.00 0.00 H ATOM 1645 HB3 GLU A 109 -4.309 -8.884 4.852 1.00 0.00 H ATOM 1646 HG2 GLU A 109 -3.635 -11.142 5.454 1.00 0.00 H ATOM 1647 HG3 GLU A 109 -3.570 -10.901 3.692 1.00 0.00 H ATOM 1648 H GLU A 109 -3.493 -6.601 4.787 1.00 0.00 H ATOM 1649 N LEU A 110 -4.208 -8.457 1.984 1.00 0.00 N ATOM 1650 CA LEU A 110 -4.692 -8.819 0.656 1.00 0.00 C ATOM 1651 C LEU A 110 -4.055 -7.911 -0.395 1.00 0.00 C ATOM 1652 O LEU A 110 -3.659 -8.368 -1.465 1.00 0.00 O ATOM 1653 CB LEU A 110 -6.227 -8.725 0.612 1.00 0.00 C ATOM 1654 CG LEU A 110 -6.921 -9.285 -0.645 1.00 0.00 C ATOM 1655 CD1 LEU A 110 -6.814 -8.324 -1.822 1.00 0.00 C ATOM 1656 CD2 LEU A 110 -6.344 -10.642 -1.017 1.00 0.00 C ATOM 1657 HA LEU A 110 -4.408 -9.848 0.435 1.00 0.00 H ATOM 1658 HB2 LEU A 110 -6.616 -9.268 1.473 1.00 0.00 H ATOM 1659 HB3 LEU A 110 -6.496 -7.672 0.696 1.00 0.00 H ATOM 1660 HG LEU A 110 -7.978 -9.405 -0.408 1.00 0.00 H ATOM 1661 HD21 LEU A 110 -5.278 -10.539 -1.218 1.00 0.00 H ATOM 1662 HD22 LEU A 110 -6.494 -11.338 -0.191 1.00 0.00 H ATOM 1663 HD23 LEU A 110 -6.849 -11.018 -1.907 1.00 0.00 H ATOM 1664 HD11 LEU A 110 -7.287 -7.377 -1.561 1.00 0.00 H ATOM 1665 HD12 LEU A 110 -5.763 -8.154 -2.056 1.00 0.00 H ATOM 1666 HD13 LEU A 110 -7.315 -8.755 -2.688 1.00 0.00 H ATOM 1667 H LEU A 110 -4.845 -7.964 2.642 1.00 0.00 H ATOM 1668 N LEU A 111 -3.944 -6.629 -0.064 1.00 0.00 N ATOM 1669 CA LEU A 111 -3.414 -5.628 -0.985 1.00 0.00 C ATOM 1670 C LEU A 111 -1.976 -5.950 -1.386 1.00 0.00 C ATOM 1671 O LEU A 111 -1.572 -5.742 -2.530 1.00 0.00 O ATOM 1672 CB LEU A 111 -3.477 -4.250 -0.326 1.00 0.00 C ATOM 1673 CG LEU A 111 -2.959 -3.090 -1.173 1.00 0.00 C ATOM 1674 CD1 LEU A 111 -3.842 -2.874 -2.393 1.00 0.00 C ATOM 1675 CD2 LEU A 111 -2.879 -1.827 -0.334 1.00 0.00 C ATOM 1676 HA LEU A 111 -4.022 -5.633 -1.890 1.00 0.00 H ATOM 1677 HB2 LEU A 111 -4.518 -4.045 -0.076 1.00 0.00 H ATOM 1678 HB3 LEU A 111 -2.886 -4.288 0.589 1.00 0.00 H ATOM 1679 HG LEU A 111 -1.958 -3.337 -1.526 1.00 0.00 H ATOM 1680 HD21 LEU A 111 -3.871 -1.580 0.044 1.00 0.00 H ATOM 1681 HD22 LEU A 111 -2.200 -1.991 0.503 1.00 0.00 H ATOM 1682 HD23 LEU A 111 -2.508 -1.007 -0.949 1.00 0.00 H ATOM 1683 HD11 LEU A 111 -3.847 -3.779 -3.001 1.00 0.00 H ATOM 1684 HD12 LEU A 111 -4.858 -2.647 -2.069 1.00 0.00 H ATOM 1685 HD13 LEU A 111 -3.452 -2.042 -2.980 1.00 0.00 H ATOM 1686 H LEU A 111 -4.245 -6.328 0.885 1.00 0.00 H ATOM 1687 N ARG A 112 -1.204 -6.454 -0.440 1.00 0.00 N ATOM 1688 CA ARG A 112 0.176 -6.824 -0.703 1.00 0.00 C ATOM 1689 C ARG A 112 0.260 -8.260 -1.200 1.00 0.00 C ATOM 1690 O ARG A 112 0.781 -9.143 -0.516 1.00 0.00 O ATOM 1691 CB ARG A 112 1.026 -6.645 0.548 1.00 0.00 C ATOM 1692 CG ARG A 112 1.067 -5.211 1.053 1.00 0.00 C ATOM 1693 CD ARG A 112 1.607 -4.258 -0.001 1.00 0.00 C ATOM 1694 NE ARG A 112 2.997 -4.555 -0.349 1.00 0.00 N ATOM 1695 CZ ARG A 112 3.451 -4.661 -1.597 1.00 0.00 C ATOM 1696 NH1 ARG A 112 2.620 -4.529 -2.624 1.00 0.00 N ATOM 1697 NH2 ARG A 112 4.736 -4.912 -1.815 1.00 0.00 N ATOM 1698 HA ARG A 112 0.564 -6.166 -1.481 1.00 0.00 H ATOM 1699 HB2 ARG A 112 0.618 -7.277 1.336 1.00 0.00 H ATOM 1700 HB3 ARG A 112 2.044 -6.961 0.322 1.00 0.00 H ATOM 1701 HG2 ARG A 112 0.057 -4.903 1.324 1.00 0.00 H ATOM 1702 HG3 ARG A 112 1.708 -5.165 1.933 1.00 0.00 H ATOM 1703 HD2 ARG A 112 1.550 -3.239 0.383 1.00 0.00 H ATOM 1704 HD3 ARG A 112 0.994 -4.341 -0.898 1.00 0.00 H ATOM 1705 HE ARG A 112 3.674 -4.692 0.428 1.00 0.00 H ATOM 1706 HH12 ARG A 112 2.978 -4.612 -3.597 1.00 0.00 H ATOM 1707 HH11 ARG A 112 1.611 -4.342 -2.456 1.00 0.00 H ATOM 1708 HH22 ARG A 112 5.092 -4.995 -2.789 1.00 0.00 H ATOM 1709 HH21 ARG A 112 5.387 -5.026 -1.012 1.00 0.00 H ATOM 1710 H ARG A 112 -1.593 -6.589 0.515 1.00 0.00 H ATOM 1711 N ALA A 113 -0.283 -8.476 -2.385 1.00 0.00 N ATOM 1712 CA ALA A 113 -0.202 -9.766 -3.058 1.00 0.00 C ATOM 1713 C ALA A 113 1.191 -9.964 -3.663 1.00 0.00 C ATOM 1714 O ALA A 113 2.169 -9.382 -3.184 1.00 0.00 O ATOM 1715 CB ALA A 113 -1.277 -9.853 -4.132 1.00 0.00 C ATOM 1716 HA ALA A 113 -0.370 -10.561 -2.331 1.00 0.00 H ATOM 1717 HB1 ALA A 113 -2.259 -9.746 -3.671 1.00 0.00 H ATOM 1718 HB2 ALA A 113 -1.127 -9.055 -4.860 1.00 0.00 H ATOM 1719 HB3 ALA A 113 -1.212 -10.819 -4.632 1.00 0.00 H ATOM 1720 H ALA A 113 -0.787 -7.697 -2.855 1.00 0.00 H ATOM 1721 N GLN A 114 1.292 -10.785 -4.704 1.00 0.00 N ATOM 1722 CA GLN A 114 2.575 -11.024 -5.352 1.00 0.00 C ATOM 1723 C GLN A 114 3.125 -9.737 -5.963 1.00 0.00 C ATOM 1724 O GLN A 114 2.410 -8.744 -6.127 1.00 0.00 O ATOM 1725 CB GLN A 114 2.450 -12.102 -6.427 1.00 0.00 C ATOM 1726 CG GLN A 114 1.749 -11.644 -7.694 1.00 0.00 C ATOM 1727 CD GLN A 114 1.751 -12.718 -8.761 1.00 0.00 C ATOM 1728 OE1 GLN A 114 2.660 -13.548 -8.812 1.00 0.00 O ATOM 1729 NE2 GLN A 114 0.752 -12.706 -9.628 1.00 0.00 N ATOM 1730 HA GLN A 114 3.272 -11.372 -4.589 1.00 0.00 H ATOM 1731 HB2 GLN A 114 3.453 -12.437 -6.693 1.00 0.00 H ATOM 1732 HB3 GLN A 114 1.889 -12.938 -6.009 1.00 0.00 H ATOM 1733 HG2 GLN A 114 0.717 -11.388 -7.453 1.00 0.00 H ATOM 1734 HG3 GLN A 114 2.260 -10.762 -8.080 1.00 0.00 H ATOM 1735 HE22 GLN A 114 0.004 -11.988 -9.550 1.00 0.00 H ATOM 1736 HE21 GLN A 114 0.714 -13.415 -10.388 1.00 0.00 H ATOM 1737 H GLN A 114 0.441 -11.264 -5.062 1.00 0.00 H ATOM 1738 N GLU A 115 4.395 -9.772 -6.308 1.00 0.00 N ATOM 1739 CA GLU A 115 5.090 -8.596 -6.801 1.00 0.00 C ATOM 1740 C GLU A 115 5.112 -8.577 -8.324 1.00 0.00 C ATOM 1741 O GLU A 115 5.152 -9.626 -8.967 1.00 0.00 O ATOM 1742 CB GLU A 115 6.514 -8.570 -6.249 1.00 0.00 C ATOM 1743 CG GLU A 115 7.296 -9.838 -6.543 1.00 0.00 C ATOM 1744 CD GLU A 115 8.650 -9.857 -5.875 1.00 0.00 C ATOM 1745 OE1 GLU A 115 8.735 -10.297 -4.708 1.00 0.00 O ATOM 1746 OE2 GLU A 115 9.639 -9.447 -6.513 1.00 0.00 O ATOM 1747 HA GLU A 115 4.557 -7.708 -6.461 1.00 0.00 H ATOM 1748 HB2 GLU A 115 7.042 -7.727 -6.694 1.00 0.00 H ATOM 1749 HB3 GLU A 115 6.464 -8.437 -5.168 1.00 0.00 H ATOM 1750 HG2 GLU A 115 6.720 -10.693 -6.189 1.00 0.00 H ATOM 1751 HG3 GLU A 115 7.438 -9.918 -7.621 1.00 0.00 H ATOM 1752 H GLU A 115 4.916 -10.668 -6.225 1.00 0.00 H ATOM 1753 N ALA A 116 5.072 -7.382 -8.891 1.00 0.00 N ATOM 1754 CA ALA A 116 5.136 -7.216 -10.333 1.00 0.00 C ATOM 1755 C ALA A 116 6.258 -6.253 -10.712 1.00 0.00 C ATOM 1756 O ALA A 116 6.044 -5.042 -10.803 1.00 0.00 O ATOM 1757 CB ALA A 116 3.800 -6.718 -10.863 1.00 0.00 C ATOM 1758 HA ALA A 116 5.351 -8.184 -10.787 1.00 0.00 H ATOM 1759 HB1 ALA A 116 3.022 -7.442 -10.620 1.00 0.00 H ATOM 1760 HB2 ALA A 116 3.563 -5.759 -10.403 1.00 0.00 H ATOM 1761 HB3 ALA A 116 3.862 -6.598 -11.945 1.00 0.00 H ATOM 1762 H ALA A 116 4.993 -6.538 -8.288 1.00 0.00 H ATOM 1763 N PRO A 117 7.476 -6.778 -10.911 1.00 0.00 N ATOM 1764 CA PRO A 117 8.633 -5.977 -11.296 1.00 0.00 C ATOM 1765 C PRO A 117 8.626 -5.661 -12.788 1.00 0.00 C ATOM 1766 O PRO A 117 8.662 -6.566 -13.624 1.00 0.00 O ATOM 1767 CB PRO A 117 9.835 -6.870 -10.942 1.00 0.00 C ATOM 1768 CG PRO A 117 9.266 -8.112 -10.329 1.00 0.00 C ATOM 1769 CD PRO A 117 7.834 -8.189 -10.768 1.00 0.00 C ATOM 1770 HA PRO A 117 8.650 -5.012 -10.789 1.00 0.00 H ATOM 1771 HD3 PRO A 117 7.739 -8.719 -11.716 1.00 0.00 H ATOM 1772 HD2 PRO A 117 7.216 -8.679 -10.016 1.00 0.00 H ATOM 1773 HG3 PRO A 117 9.324 -8.056 -9.242 1.00 0.00 H ATOM 1774 HG2 PRO A 117 9.814 -8.988 -10.676 1.00 0.00 H ATOM 1775 HB2 PRO A 117 10.401 -7.117 -11.841 1.00 0.00 H ATOM 1776 HB3 PRO A 117 10.487 -6.362 -10.232 1.00 0.00 H ATOM 1777 N GLY A 118 8.550 -4.381 -13.115 1.00 0.00 N ATOM 1778 CA GLY A 118 8.565 -3.972 -14.504 1.00 0.00 C ATOM 1779 C GLY A 118 8.117 -2.540 -14.692 1.00 0.00 C ATOM 1780 O GLY A 118 8.941 -1.641 -14.857 1.00 0.00 O ATOM 1781 HA3 GLY A 118 7.898 -4.624 -15.068 1.00 0.00 H ATOM 1782 HA2 GLY A 118 9.580 -4.074 -14.888 1.00 0.00 H ATOM 1783 H GLY A 118 8.479 -3.662 -12.367 1.00 0.00 H ATOM 1784 N GLN A 119 6.810 -2.323 -14.652 1.00 0.00 N ATOM 1785 CA GLN A 119 6.247 -0.998 -14.882 1.00 0.00 C ATOM 1786 C GLN A 119 6.214 -0.189 -13.590 1.00 0.00 C ATOM 1787 O GLN A 119 6.290 -0.750 -12.496 1.00 0.00 O ATOM 1788 CB GLN A 119 4.839 -1.114 -15.469 1.00 0.00 C ATOM 1789 CG GLN A 119 4.785 -1.909 -16.764 1.00 0.00 C ATOM 1790 CD GLN A 119 5.681 -1.338 -17.849 1.00 0.00 C ATOM 1791 OE1 GLN A 119 5.927 -0.132 -17.901 1.00 0.00 O ATOM 1792 NE2 GLN A 119 6.171 -2.199 -18.722 1.00 0.00 N ATOM 1793 HA GLN A 119 6.885 -0.477 -15.595 1.00 0.00 H ATOM 1794 HB2 GLN A 119 4.199 -1.604 -14.736 1.00 0.00 H ATOM 1795 HB3 GLN A 119 4.463 -0.110 -15.664 1.00 0.00 H ATOM 1796 HG2 GLN A 119 5.099 -2.932 -16.557 1.00 0.00 H ATOM 1797 HG3 GLN A 119 3.757 -1.912 -17.128 1.00 0.00 H ATOM 1798 HE22 GLN A 119 5.938 -3.210 -18.642 1.00 0.00 H ATOM 1799 HE21 GLN A 119 6.789 -1.867 -19.489 1.00 0.00 H ATOM 1800 H GLN A 119 6.170 -3.118 -14.452 1.00 0.00 H ATOM 1801 N ALA A 120 6.113 1.126 -13.726 1.00 0.00 N ATOM 1802 CA ALA A 120 6.073 2.021 -12.580 1.00 0.00 C ATOM 1803 C ALA A 120 4.672 2.592 -12.389 1.00 0.00 C ATOM 1804 O ALA A 120 4.254 3.436 -13.213 1.00 0.00 O ATOM 1805 CB ALA A 120 7.090 3.141 -12.748 1.00 0.00 C ATOM 1806 HA ALA A 120 6.330 1.450 -11.688 1.00 0.00 H ATOM 1807 OXT ALA A 120 3.989 2.190 -11.423 1.00 0.00 O ATOM 1808 HB1 ALA A 120 8.089 2.713 -12.831 1.00 0.00 H ATOM 1809 HB2 ALA A 120 6.859 3.707 -13.650 1.00 0.00 H ATOM 1810 HB3 ALA A 120 7.047 3.802 -11.882 1.00 0.00 H ATOM 1811 H ALA A 120 6.061 1.531 -14.683 1.00 0.00 H TER 1812 ALA A 120 HETATM 1813 N GLN A 1 -18.442 24.403 0.941 1.00 0.24 N HETATM 1814 CA GLN A 1 -18.286 24.336 -0.530 1.00 0.07 C HETATM 1815 C GLN A 1 -17.280 23.253 -0.888 1.00 0.23 C HETATM 1816 O GLN A 1 -16.357 23.481 -1.677 1.00 -0.39 O HETATM 1817 N GLN A 1 -17.467 22.076 -0.291 1.00 -0.26 N HETATM 1818 CA GLN A 1 -16.538 20.955 -0.431 1.00 0.14 C HETATM 1819 C GLN A 1 -15.190 21.322 0.177 1.00 0.21 C HETATM 1820 O GLN A 1 -15.058 22.344 0.856 1.00 -0.39 O HETATM 1821 N GLN A 1 -14.198 20.480 -0.040 1.00 -0.26 N HETATM 1822 CA GLN A 1 -12.856 20.750 0.442 1.00 0.16 C HETATM 1823 C GLN A 1 -11.832 20.346 -0.609 1.00 0.21 C HETATM 1824 O GLN A 1 -11.776 19.184 -1.016 1.00 -0.39 O HETATM 1825 N GLN A 1 -11.042 21.308 -1.063 1.00 -0.26 N HETATM 1826 CA GLN A 1 -10.074 21.054 -2.118 1.00 0.13 C HETATM 1827 C GLN A 1 -8.745 20.595 -1.532 1.00 0.20 C HETATM 1828 O GLN A 1 -8.249 21.163 -0.555 1.00 -0.39 O HETATM 1829 N GLN A 1 -8.192 19.553 -2.120 1.00 -0.27 N HETATM 1830 CA GLN A 1 -6.892 19.051 -1.731 1.00 0.09 C HETATM 1831 C GLN A 1 -5.899 19.243 -2.865 1.00 0.06 C HETATM 1832 O GLN A 1 -5.227 20.294 -2.896 1.00 -0.57 O HETATM 1833 OXT GLN A 1 -5.814 18.358 -3.734 1.00 -0.57 O HETATM 1834 CB GLN A 1 -7.002 17.579 -1.341 1.00 -0.02 C HETATM 1835 CG GLN A 1 -7.368 17.341 0.121 1.00 -0.04 C HETATM 1836 CD1 GLN A 1 -8.140 16.046 0.282 1.00 -0.06 C HETATM 1837 H40 GLN A 1 -8.391 15.898 1.343 1.00 0.02 H HETATM 1838 H41 GLN A 1 -7.524 15.206 -0.069 1.00 0.02 H HETATM 1839 H42 GLN A 1 -9.066 16.095 -0.310 1.00 0.02 H HETATM 1840 CD2 GLN A 1 -6.108 17.307 0.965 1.00 -0.06 C HETATM 1841 H43 GLN A 1 -5.557 18.251 0.840 1.00 0.02 H HETATM 1842 H44 GLN A 1 -5.474 16.467 0.644 1.00 0.02 H HETATM 1843 H45 GLN A 1 -6.379 17.178 2.023 1.00 0.02 H HETATM 1844 H39 GLN A 1 -8.002 18.172 0.464 1.00 0.03 H HETATM 1845 H37 GLN A 1 -6.032 17.098 -1.536 1.00 0.03 H HETATM 1846 H38 GLN A 1 -7.775 17.113 -1.970 1.00 0.03 H HETATM 1847 H36 GLN A 1 -6.540 19.619 -0.858 1.00 0.07 H HETATM 1848 H35 GLN A 1 -8.687 19.095 -2.858 1.00 0.19 H HETATM 1849 CB GLN A 1 -9.860 22.311 -2.966 1.00 -0.01 C HETATM 1850 CG GLN A 1 -9.147 22.046 -4.286 1.00 -0.02 C HETATM 1851 CD GLN A 1 -7.932 22.945 -4.458 1.00 0.06 C HETATM 1852 NE GLN A 1 -6.832 22.550 -3.582 1.00 -0.27 N HETATM 1853 CZ GLN A 1 -6.220 23.368 -2.728 1.00 0.29 C HETATM 1854 NH1 GLN A 1 -6.601 24.632 -2.604 1.00 -0.28 N HETATM 1855 H31 GLN A 1 -6.118 25.253 -1.939 1.00 0.26 H HETATM 1856 H32 GLN A 1 -7.380 24.993 -3.173 1.00 0.26 H HETATM 1857 NH2 GLN A 1 -5.215 22.912 -1.995 1.00 -0.28 N HETATM 1858 H33 GLN A 1 -4.914 21.931 -2.087 1.00 0.26 H HETATM 1859 H34 GLN A 1 -4.734 23.538 -1.333 1.00 0.26 H HETATM 1860 H30 GLN A 1 -6.508 21.573 -3.628 1.00 0.26 H HETATM 1861 H28 GLN A 1 -8.220 23.980 -4.222 1.00 0.07 H HETATM 1862 H29 GLN A 1 -7.592 22.887 -5.503 1.00 0.07 H HETATM 1863 H26 GLN A 1 -9.848 22.231 -5.113 1.00 0.03 H HETATM 1864 H27 GLN A 1 -8.820 20.996 -4.310 1.00 0.03 H HETATM 1865 H24 GLN A 1 -9.258 23.024 -2.384 1.00 0.03 H HETATM 1866 H25 GLN A 1 -10.843 22.753 -3.185 1.00 0.03 H HETATM 1867 H23 GLN A 1 -10.466 20.256 -2.765 1.00 0.08 H HETATM 1868 H22 GLN A 1 -11.113 22.226 -0.673 1.00 0.19 H HETATM 1869 CB GLN A 1 -12.583 19.997 1.758 1.00 0.09 C HETATM 1870 OG1 GLN A 1 -13.635 20.277 2.695 1.00 -0.39 O HETATM 1871 H18 GLN A 1 -13.467 19.813 3.506 1.00 0.21 H HETATM 1872 CG2 GLN A 1 -11.244 20.408 2.356 1.00 -0.03 C HETATM 1873 H19 GLN A 1 -11.076 19.856 3.292 1.00 0.03 H HETATM 1874 H20 GLN A 1 -11.251 21.488 2.563 1.00 0.03 H HETATM 1875 H21 GLN A 1 -10.438 20.177 1.644 1.00 0.03 H HETATM 1876 H17 GLN A 1 -12.562 18.917 1.551 1.00 0.06 H HETATM 1877 H16 GLN A 1 -12.762 21.830 0.630 1.00 0.08 H HETATM 1878 H15 GLN A 1 -14.375 19.637 -0.548 1.00 0.19 H HETATM 1879 CB GLN A 1 -16.357 20.542 -1.900 1.00 0.04 C HETATM 1880 CG GLN A 1 -17.667 20.224 -2.593 1.00 0.04 C HETATM 1881 OD1 GLN A 1 -18.556 19.623 -1.959 1.00 -0.57 O HETATM 1882 OD2 GLN A 1 -17.822 20.594 -3.776 1.00 -0.57 O HETATM 1883 H13 GLN A 1 -15.716 19.649 -1.936 1.00 0.05 H HETATM 1884 H14 GLN A 1 -15.867 21.367 -2.438 1.00 0.05 H HETATM 1885 H12 GLN A 1 -16.949 20.096 0.119 1.00 0.08 H HETATM 1886 H11 GLN A 1 -18.280 21.954 0.279 1.00 0.19 H HETATM 1887 CB GLN A 1 -17.804 25.683 -1.077 1.00 0.02 C HETATM 1888 CG GLN A 1 -18.675 26.862 -0.678 1.00 0.04 C HETATM 1889 CD GLN A 1 -18.119 28.180 -1.174 1.00 0.17 C HETATM 1890 OE1 GLN A 1 -16.907 28.333 -1.335 1.00 -0.40 O HETATM 1891 NE2 GLN A 1 -18.993 29.140 -1.411 1.00 -0.30 N HETATM 1892 H9 GLN A 1 -18.680 30.031 -1.740 1.00 0.18 H HETATM 1893 H10 GLN A 1 -19.968 28.977 -1.261 1.00 0.18 H HETATM 1894 H7 GLN A 1 -18.742 26.897 0.419 1.00 0.05 H HETATM 1895 H8 GLN A 1 -19.680 26.720 -1.103 1.00 0.05 H HETATM 1896 H5 GLN A 1 -17.786 25.623 -2.175 1.00 0.04 H HETATM 1897 H6 GLN A 1 -16.786 25.863 -0.702 1.00 0.04 H HETATM 1898 H4 GLN A 1 -19.258 24.091 -0.983 1.00 0.11 H HETATM 1899 H1 GLN A 1 -19.109 25.121 1.176 1.00 0.20 H HETATM 1900 H2 GLN A 1 -17.553 24.619 1.364 1.00 0.20 H HETATM 1901 H3 GLN A 1 -18.770 23.514 1.285 1.00 0.20 H CONECT 1 2 7 8 9 CONECT 7 1 CONECT 8 1 CONECT 9 1 CONECT 1813 1814 1899 1900 1901 CONECT 1814 1813 1815 1887 1898 CONECT 1815 1814 1816 1817 CONECT 1816 1815 CONECT 1817 1815 1818 1886 CONECT 1818 1817 1819 1879 1885 CONECT 1819 1818 1820 1821 CONECT 1820 1819 CONECT 1821 1819 1822 1878 CONECT 1822 1821 1823 1869 1877 CONECT 1823 1822 1824 1825 CONECT 1824 1823 CONECT 1825 1823 1826 1868 CONECT 1826 1825 1827 1849 1867 CONECT 1827 1826 1828 1829 CONECT 1828 1827 CONECT 1829 1827 1830 1848 CONECT 1830 1829 1831 1834 1847 CONECT 1831 1830 1832 1833 CONECT 1832 1831 CONECT 1833 1831 CONECT 1834 1830 1835 1845 1846 CONECT 1835 1834 1836 1840 1844 CONECT 1836 1835 1837 1838 1839 CONECT 1837 1836 CONECT 1838 1836 CONECT 1839 1836 CONECT 1840 1835 1841 1842 1843 CONECT 1841 1840 CONECT 1842 1840 CONECT 1843 1840 CONECT 1844 1835 CONECT 1845 1834 CONECT 1846 1834 CONECT 1847 1830 CONECT 1848 1829 CONECT 1849 1826 1850 1865 1866 CONECT 1850 1849 1851 1863 1864 CONECT 1851 1850 1852 1861 1862 CONECT 1852 1851 1853 1860 CONECT 1853 1852 1854 1857 CONECT 1854 1853 1855 1856 CONECT 1855 1854 CONECT 1856 1854 CONECT 1857 1853 1858 1859 CONECT 1858 1857 CONECT 1859 1857 CONECT 1860 1852 CONECT 1861 1851 CONECT 1862 1851 CONECT 1863 1850 CONECT 1864 1850 CONECT 1865 1849 CONECT 1866 1849 CONECT 1867 1826 CONECT 1868 1825 CONECT 1869 1822 1870 1872 1876 CONECT 1870 1869 1871 CONECT 1871 1870 CONECT 1872 1869 1873 1874 1875 CONECT 1873 1872 CONECT 1874 1872 CONECT 1875 1872 CONECT 1876 1869 CONECT 1877 1822 CONECT 1878 1821 CONECT 1879 1818 1880 1883 1884 CONECT 1880 1879 1881 1882 CONECT 1881 1880 CONECT 1882 1880 CONECT 1883 1879 CONECT 1884 1879 CONECT 1885 1818 CONECT 1886 1817 CONECT 1887 1814 1888 1896 1897 CONECT 1888 1887 1889 1894 1895 CONECT 1889 1888 1890 1891 CONECT 1890 1889 CONECT 1891 1889 1892 1893 CONECT 1892 1891 CONECT 1893 1891 CONECT 1894 1888 CONECT 1895 1888 CONECT 1896 1887 CONECT 1897 1887 CONECT 1898 1814 CONECT 1899 1813 CONECT 1900 1813 CONECT 1901 1813 MASTER 0 0 0 0 0 0 0 0 1900 1 93 9 END
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5-mer
8lpr
RCSB PDB
PDBbind
5-mer
9lpr
RCSB PDB
PDBbind
5-mer
6hzb
RCSB PDB
PDBbind
5-mer
6hza
RCSB PDB
PDBbind
5-mer
6hv2
RCSB PDB
PDBbind
5-mer
6dn6
RCSB PDB
PDBbind
5-mer
Entry Information
PDB ID
2m0u
Complex Type
Protein-Ligand
PDBbind Subset
general set
Protein Name
Na(+)/H(+) exchange regulatory cofactor NHE-RF1
Ligand Name
5-mer
EC.Number
E.C.-.-.-.-
Resolution
NMR
Affinity (Kd/Ki/IC50)
Kd=365nM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Mol.Biol. Vol. 425: pp. 2509-2528
Ligand Properties
Formula
C
2
5
H
4
7
N
9
O
1
0
Molecular Weight
633.695
Exact Mass
633.345
No. of atoms
91
No. of bonds
90
Polar Surface Area
347.97
LOGP Value
-2.11 (
Computed with XLOGP3
)
-3.41 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 7
No. of Hydrogen Bond Acceptors: 10
No. of Rotatable Bonds: 24
No. of Nitrogen and Oxygen Atoms: 19
No. of Rings: 0
Canonical SMILES
CC(C[C@@H](C(=O)O)NC(=O)[C@@H](NC(=O)[C@H]([C@H](O)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)N)[NH3+])CC(=O)O)CCC[NH+]=C(N)N)C
InChI String
InChI=1S/C25H45N9O10/c1-11(2)9-16(24(43)44)33-21(40)14(5-4-8-30-25(28)29)31-23(42)19(12(3)35)34-22(41)15(10-18(37)38)32-20(39)13(26)6-7-17(27)36/h11-16,19,35H,4-10,26H2,1-3H3,(H2,27,36)(H,31,42)(H,32,39)(H,33,40)(H,34,41)(H,37,38)(H,43,44)(H4,28,29,30)/p+2/t12-,13+,14+,15+,16+,19+/m1/s1
Links to External Databases
RCSB PDB
The mother database
PDBsum
Enhanced annotations on PDB entries
Pubchem
Comprehensive collection of chemical and biological data
UniProtKB AC
UniProt accession number (AC):
O14745
Entrez Gene ID
NCBI Entrez Gene ID:
9368
ASD
Information of known allosteric effects of PDB entries
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