Browse entries in the PDBbind-CN Database
HEADER 4HP0_COMPLEX COMPND 4HP0_COMPLEX REMARK GENERATED BY SYBYL (TRIPOS, INC.) 15-AUG-21 SEQRES 1 A 128 LYS VAL PHE GLY ARG CYS GLU LEU ALA ALA ALA MET LYS SEQRES 2 A 128 ARG HIS GLY LEU ASP ASN TYR ARG GLY TYR SER LEU GLY SEQRES 3 A 128 ASN TRP VAL CYS ALA ALA LYS PHE GLU SER ASN PHE ASN SEQRES 4 A 128 THR GLN ALA THR ASN ARG ASN THR ASP GLY SER THR ASP SEQRES 5 A 128 TYR GLY ILE LEU GLN ILE ASN SER ARG TRP TRP CYS ASN SEQRES 6 A 128 ASP GLY ARG THR PRO GLY SER ARG ASN LEU CYS ASN ILE SEQRES 7 A 128 PRO CYS SER ALA LEU LEU SER SER ASP ILE THR ALA SER SEQRES 8 A 128 VAL ASN CYS ALA LYS LYS ILE VAL SER ASP GLY ASN GLY SEQRES 9 A 128 MET ASN ALA TRP VAL ALA TRP ARG ASN ARG CYS LYS GLY SEQRES 10 A 128 THR ASP VAL GLN ALA TRP ILE ARG GLY CYS ARG HET NOJ A 277 106 SSBOND 1 CYS A 64 CYS A 80 SSBOND 2 CYS A 76 CYS A 94 SSBOND 3 CYS A 30 CYS A 115 SSBOND 4 CYS A 6 CYS A 127 ATOM 1 N LYS A 1 9.170 2.248 8.893 1.00 8.99 N ATOM 2 CA LYS A 1 9.619 1.215 9.859 1.00 8.91 C ATOM 3 C LYS A 1 11.120 1.342 10.021 1.00 8.49 C ATOM 4 O LYS A 1 11.845 1.348 9.025 1.00 8.60 O ATOM 5 CB LYS A 1 9.273 -0.182 9.336 1.00 9.30 C ATOM 6 CG LYS A 1 9.757 -1.326 10.209 1.00 9.39 C ATOM 7 CD LYS A 1 9.254 -2.653 9.674 1.00 9.96 C ATOM 8 CE LYS A 1 9.847 -3.823 10.444 1.00 10.46 C ATOM 9 NZ LYS A 1 9.461 -3.844 11.883 1.00 11.13 N ATOM 10 HA LYS A 1 9.119 1.358 10.817 1.00 0.00 H ATOM 11 HB2 LYS A 1 8.189 -0.254 9.252 1.00 0.00 H ATOM 12 HB3 LYS A 1 9.721 -0.295 8.349 1.00 0.00 H ATOM 13 HG2 LYS A 1 10.847 -1.333 10.219 1.00 0.00 H ATOM 14 HG3 LYS A 1 9.386 -1.185 11.224 1.00 0.00 H ATOM 15 HD2 LYS A 1 8.168 -2.683 9.764 1.00 0.00 H ATOM 16 HD3 LYS A 1 9.533 -2.741 8.624 1.00 0.00 H ATOM 17 HE2 LYS A 1 10.933 -3.764 10.379 1.00 0.00 H ATOM 18 HE3 LYS A 1 9.506 -4.749 9.981 1.00 0.00 H ATOM 19 HZ1 LYS A 1 9.789 -2.970 12.342 1.00 0.00 H ATOM 20 HZ2 LYS A 1 8.426 -3.911 11.962 1.00 0.00 H ATOM 21 HZ3 LYS A 1 9.899 -4.666 12.346 1.00 0.00 H ATOM 22 HN3 LYS A 1 9.644 2.096 7.980 1.00 0.00 H ATOM 23 HN2 LYS A 1 9.413 3.191 9.258 1.00 0.00 H ATOM 24 HN1 LYS A 1 8.140 2.178 8.767 1.00 0.00 H ATOM 25 N VAL A 2 11.586 1.463 11.261 1.00 8.46 N ATOM 26 CA VAL A 2 13.013 1.381 11.527 1.00 8.38 C ATOM 27 C VAL A 2 13.271 -0.044 11.987 1.00 7.77 C ATOM 28 O VAL A 2 12.846 -0.451 13.062 1.00 8.71 O ATOM 29 CB VAL A 2 13.489 2.416 12.569 1.00 9.10 C ATOM 30 CG1 VAL A 2 14.986 2.239 12.863 1.00 10.41 C ATOM 31 CG2 VAL A 2 13.194 3.838 12.090 1.00 10.50 C ATOM 32 HA VAL A 2 13.582 1.620 10.629 1.00 0.00 H ATOM 33 HB VAL A 2 12.939 2.248 13.495 1.00 0.00 H ATOM 34 HG11 VAL A 2 15.162 1.237 13.254 1.00 0.00 H ATOM 35 HG12 VAL A 2 15.554 2.376 11.943 1.00 0.00 H ATOM 36 HG13 VAL A 2 15.300 2.978 13.600 1.00 0.00 H ATOM 37 HG21 VAL A 2 13.714 4.018 11.149 1.00 0.00 H ATOM 38 HG22 VAL A 2 12.121 3.954 11.941 1.00 0.00 H ATOM 39 HG23 VAL A 2 13.538 4.551 12.839 1.00 0.00 H ATOM 40 H VAL A 2 10.923 1.618 12.048 1.00 0.00 H ATOM 41 N PHE A 3 13.964 -0.809 11.154 1.00 7.02 N ATOM 42 CA PHE A 3 14.296 -2.185 11.487 1.00 6.95 C ATOM 43 C PHE A 3 15.359 -2.234 12.563 1.00 6.68 C ATOM 44 O PHE A 3 16.271 -1.398 12.593 1.00 7.31 O ATOM 45 CB PHE A 3 14.859 -2.899 10.264 1.00 7.09 C ATOM 46 CG PHE A 3 13.830 -3.530 9.383 1.00 7.39 C ATOM 47 CD1 PHE A 3 13.130 -2.779 8.449 1.00 8.51 C ATOM 48 CD2 PHE A 3 13.575 -4.892 9.467 1.00 7.78 C ATOM 49 CE1 PHE A 3 12.172 -3.382 7.624 1.00 9.53 C ATOM 50 CE2 PHE A 3 12.630 -5.498 8.656 1.00 8.48 C ATOM 51 CZ PHE A 3 11.929 -4.751 7.731 1.00 9.47 C ATOM 52 HA PHE A 3 13.382 -2.667 11.834 1.00 0.00 H ATOM 53 HB2 PHE A 3 15.415 -2.172 9.672 1.00 0.00 H ATOM 54 HB3 PHE A 3 15.537 -3.680 10.608 1.00 0.00 H ATOM 55 HD2 PHE A 3 14.129 -5.496 10.185 1.00 0.00 H ATOM 56 HE2 PHE A 3 12.439 -6.567 8.748 1.00 0.00 H ATOM 57 HZ PHE A 3 11.190 -5.228 7.088 1.00 0.00 H ATOM 58 HE1 PHE A 3 11.618 -2.783 6.901 1.00 0.00 H ATOM 59 HD1 PHE A 3 13.327 -1.711 8.357 1.00 0.00 H ATOM 60 H PHE A 3 14.277 -0.416 10.243 1.00 0.00 H ATOM 61 N GLY A 4 15.259 -3.243 13.425 1.00 7.13 N ATOM 62 CA GLY A 4 16.406 -3.649 14.224 1.00 7.35 C ATOM 63 C GLY A 4 17.449 -4.309 13.328 1.00 7.01 C ATOM 64 O GLY A 4 17.137 -4.811 12.242 1.00 6.64 O ATOM 65 HA3 GLY A 4 16.084 -4.357 14.988 1.00 0.00 H ATOM 66 HA2 GLY A 4 16.842 -2.773 14.704 1.00 0.00 H ATOM 67 H GLY A 4 14.354 -3.745 13.529 1.00 0.00 H ATOM 68 N ARG A 5 18.689 -4.344 13.796 1.00 6.95 N ATOM 69 CA ARG A 5 19.786 -4.913 13.021 1.00 6.99 C ATOM 70 C ARG A 5 19.534 -6.396 12.698 1.00 6.66 C ATOM 71 O ARG A 5 19.547 -6.795 11.533 1.00 6.59 O ATOM 72 CB ARG A 5 21.098 -4.737 13.782 1.00 7.56 C ATOM 73 CG ARG A 5 22.324 -5.297 13.090 1.00 7.89 C ATOM 74 CD ARG A 5 23.596 -4.975 13.871 1.00 8.57 C ATOM 75 NE ARG A 5 23.584 -5.486 15.253 1.00 9.18 N ATOM 76 CZ ARG A 5 23.825 -6.750 15.609 1.00 9.79 C ATOM 77 NH1 ARG A 5 24.111 -7.660 14.694 1.00 9.24 N ATOM 78 NH2 ARG A 5 23.790 -7.105 16.891 1.00 11.48 N ATOM 79 HA ARG A 5 19.852 -4.382 12.071 1.00 0.00 H ATOM 80 HB2 ARG A 5 21.257 -3.670 13.939 1.00 0.00 H ATOM 81 HB3 ARG A 5 20.998 -5.234 14.747 1.00 0.00 H ATOM 82 HG2 ARG A 5 22.222 -6.379 13.007 1.00 0.00 H ATOM 83 HG3 ARG A 5 22.399 -4.863 12.093 1.00 0.00 H ATOM 84 HD2 ARG A 5 23.715 -3.892 13.905 1.00 0.00 H ATOM 85 HD3 ARG A 5 24.444 -5.417 13.347 1.00 0.00 H ATOM 86 HE ARG A 5 23.371 -4.808 16.012 1.00 0.00 H ATOM 87 HH12 ARG A 5 24.298 -8.643 14.979 1.00 0.00 H ATOM 88 HH11 ARG A 5 24.149 -7.393 13.690 1.00 0.00 H ATOM 89 HH22 ARG A 5 23.978 -8.091 17.163 1.00 0.00 H ATOM 90 HH21 ARG A 5 23.574 -6.396 17.621 1.00 0.00 H ATOM 91 H ARG A 5 18.885 -3.955 14.741 1.00 0.00 H ATOM 92 N CYS A 6 19.304 -7.220 13.721 1.00 6.72 N ATOM 93 CA CYS A 6 19.060 -8.645 13.477 1.00 7.14 C ATOM 94 C CYS A 6 17.715 -8.881 12.791 1.00 7.21 C ATOM 95 O CYS A 6 17.567 -9.810 12.007 1.00 7.65 O ATOM 96 CB CYS A 6 19.162 -9.458 14.766 1.00 7.89 C ATOM 97 SG CYS A 6 20.866 -9.571 15.384 1.00 9.57 S ATOM 98 HA CYS A 6 19.841 -8.989 12.799 1.00 0.00 H ATOM 99 HB2 CYS A 6 18.792 -10.465 14.575 1.00 0.00 H ATOM 100 HB3 CYS A 6 18.544 -8.984 15.528 1.00 0.00 H ATOM 101 HG CYS A 6 21.059 -8.205 15.432 1.00 0.00 H ATOM 102 H CYS A 6 19.298 -6.851 14.693 1.00 0.00 H ATOM 103 N GLU A 7 16.741 -8.021 13.075 1.00 6.97 N ATOM 104 CA GLU A 7 15.458 -8.067 12.381 1.00 7.36 C ATOM 105 C GLU A 7 15.655 -7.923 10.871 1.00 7.00 C ATOM 106 O GLU A 7 15.096 -8.688 10.082 1.00 8.14 O ATOM 107 CB GLU A 7 14.540 -6.973 12.908 1.00 7.81 C ATOM 108 CG GLU A 7 13.121 -7.055 12.366 1.00 8.59 C ATOM 109 CD GLU A 7 12.243 -5.874 12.762 1.00 9.71 C ATOM 110 OE1 GLU A 7 12.780 -4.825 13.176 1.00 10.41 O ATOM 111 OE2 GLU A 7 10.996 -5.995 12.667 1.00 12.08 O ATOM 112 HA GLU A 7 14.994 -9.035 12.571 1.00 0.00 H ATOM 113 HB2 GLU A 7 14.499 -7.051 13.994 1.00 0.00 H ATOM 114 HB3 GLU A 7 14.960 -6.007 12.630 1.00 0.00 H ATOM 115 HG2 GLU A 7 13.170 -7.098 11.278 1.00 0.00 H ATOM 116 HG3 GLU A 7 12.661 -7.968 12.744 1.00 0.00 H ATOM 117 H GLU A 7 16.897 -7.300 13.808 1.00 0.00 H ATOM 118 N LEU A 8 16.465 -6.950 10.472 1.00 6.36 N ATOM 119 CA LEU A 8 16.729 -6.750 9.056 1.00 6.02 C ATOM 120 C LEU A 8 17.541 -7.905 8.478 1.00 5.87 C ATOM 121 O LEU A 8 17.268 -8.360 7.372 1.00 6.54 O ATOM 122 CB LEU A 8 17.442 -5.423 8.810 1.00 6.40 C ATOM 123 CG LEU A 8 17.660 -5.095 7.333 1.00 6.77 C ATOM 124 CD1 LEU A 8 16.340 -4.976 6.575 1.00 8.24 C ATOM 125 CD2 LEU A 8 18.485 -3.830 7.189 1.00 8.10 C ATOM 126 HA LEU A 8 15.766 -6.720 8.546 1.00 0.00 H ATOM 127 HB2 LEU A 8 16.845 -4.626 9.253 1.00 0.00 H ATOM 128 HB3 LEU A 8 18.415 -5.461 9.300 1.00 0.00 H ATOM 129 HG LEU A 8 18.211 -5.924 6.888 1.00 0.00 H ATOM 130 HD21 LEU A 8 17.962 -3.000 7.664 1.00 0.00 H ATOM 131 HD22 LEU A 8 19.453 -3.973 7.668 1.00 0.00 H ATOM 132 HD23 LEU A 8 18.631 -3.611 6.131 1.00 0.00 H ATOM 133 HD11 LEU A 8 15.799 -5.920 6.639 1.00 0.00 H ATOM 134 HD12 LEU A 8 15.739 -4.181 7.017 1.00 0.00 H ATOM 135 HD13 LEU A 8 16.542 -4.742 5.530 1.00 0.00 H ATOM 136 H LEU A 8 16.913 -6.328 11.175 1.00 0.00 H ATOM 137 N ALA A 9 18.540 -8.370 9.222 1.00 6.36 N ATOM 138 CA ALA A 9 19.333 -9.518 8.788 1.00 6.54 C ATOM 139 C ALA A 9 18.441 -10.714 8.465 1.00 6.91 C ATOM 140 O ALA A 9 18.599 -11.349 7.425 1.00 7.22 O ATOM 141 CB ALA A 9 20.375 -9.883 9.843 1.00 7.01 C ATOM 142 HA ALA A 9 19.857 -9.239 7.874 1.00 0.00 H ATOM 143 HB1 ALA A 9 21.040 -9.035 10.004 1.00 0.00 H ATOM 144 HB2 ALA A 9 19.872 -10.134 10.777 1.00 0.00 H ATOM 145 HB3 ALA A 9 20.954 -10.740 9.499 1.00 0.00 H ATOM 146 H ALA A 9 18.761 -7.909 10.128 1.00 0.00 H ATOM 147 N ALA A 10 17.474 -10.991 9.339 1.00 7.04 N ATOM 148 CA ALA A 10 16.597 -12.152 9.165 1.00 7.79 C ATOM 149 C ALA A 10 15.727 -11.993 7.927 1.00 8.45 C ATOM 150 O ALA A 10 15.509 -12.957 7.191 1.00 9.21 O ATOM 151 CB ALA A 10 15.727 -12.369 10.401 1.00 8.34 C ATOM 152 HA ALA A 10 17.229 -13.030 9.032 1.00 0.00 H ATOM 153 HB1 ALA A 10 16.366 -12.539 11.268 1.00 0.00 H ATOM 154 HB2 ALA A 10 15.111 -11.486 10.569 1.00 0.00 H ATOM 155 HB3 ALA A 10 15.086 -13.237 10.245 1.00 0.00 H ATOM 156 H ALA A 10 17.339 -10.370 10.162 1.00 0.00 H ATOM 157 N ALA A 11 15.231 -10.774 7.704 1.00 8.34 N ATOM 158 CA ALA A 11 14.376 -10.481 6.562 1.00 8.68 C ATOM 159 C ALA A 11 15.148 -10.582 5.260 1.00 8.47 C ATOM 160 O ALA A 11 14.672 -11.169 4.291 1.00 9.04 O ATOM 161 CB ALA A 11 13.756 -9.107 6.707 1.00 9.49 C ATOM 162 HA ALA A 11 13.579 -11.224 6.537 1.00 0.00 H ATOM 163 HB1 ALA A 11 13.158 -9.074 7.617 1.00 0.00 H ATOM 164 HB2 ALA A 11 14.546 -8.358 6.762 1.00 0.00 H ATOM 165 HB3 ALA A 11 13.120 -8.904 5.845 1.00 0.00 H ATOM 166 H ALA A 11 15.463 -10.008 8.368 1.00 0.00 H ATOM 167 N MET A 12 16.343 -9.998 5.237 1.00 7.56 N ATOM 168 CA MET A 12 17.216 -10.104 4.074 1.00 7.49 C ATOM 169 C MET A 12 17.582 -11.555 3.769 1.00 7.96 C ATOM 170 O MET A 12 17.583 -11.960 2.600 1.00 9.24 O ATOM 171 CB MET A 12 18.464 -9.251 4.265 1.00 7.13 C ATOM 172 CG MET A 12 18.176 -7.761 4.178 1.00 6.38 C ATOM 173 SD MET A 12 19.691 -6.834 4.473 1.00 6.35 S ATOM 174 CE MET A 12 19.342 -5.327 3.569 1.00 8.04 C ATOM 175 HA MET A 12 16.667 -9.725 3.212 1.00 0.00 H ATOM 176 HB2 MET A 12 18.888 -9.468 5.245 1.00 0.00 H ATOM 177 HB3 MET A 12 19.187 -9.512 3.492 1.00 0.00 H ATOM 178 HG2 MET A 12 17.433 -7.491 4.928 1.00 0.00 H ATOM 179 HG3 MET A 12 17.792 -7.523 3.186 1.00 0.00 H ATOM 180 HE1 MET A 12 19.173 -5.566 2.519 1.00 0.00 H ATOM 181 HE2 MET A 12 18.452 -4.854 3.984 1.00 0.00 H ATOM 182 HE3 MET A 12 20.190 -4.648 3.656 1.00 0.00 H ATOM 183 H MET A 12 16.661 -9.455 6.065 1.00 0.00 H ATOM 184 N LYS A 13 17.887 -12.327 4.813 1.00 8.23 N ATOM 185 CA LYS A 13 18.193 -13.742 4.644 1.00 9.15 C ATOM 186 C LYS A 13 17.006 -14.508 4.064 1.00 9.65 C ATOM 187 O LYS A 13 17.169 -15.300 3.132 1.00 10.41 O ATOM 188 CB LYS A 13 18.656 -14.367 5.956 1.00 9.08 C ATOM 189 CG LYS A 13 18.966 -15.838 5.805 1.00 9.97 C ATOM 190 CD LYS A 13 19.641 -16.443 6.993 1.00 11.72 C ATOM 191 CE LYS A 13 19.867 -17.895 6.653 1.00 14.42 C ATOM 192 NZ LYS A 13 20.742 -18.613 7.598 1.00 16.51 N ATOM 193 HA LYS A 13 19.013 -13.813 3.929 1.00 0.00 H ATOM 194 HB2 LYS A 13 19.555 -13.851 6.294 1.00 0.00 H ATOM 195 HB3 LYS A 13 17.868 -14.248 6.700 1.00 0.00 H ATOM 196 HG2 LYS A 13 18.030 -16.370 5.635 1.00 0.00 H ATOM 197 HG3 LYS A 13 19.617 -15.964 4.940 1.00 0.00 H ATOM 198 HD2 LYS A 13 20.593 -15.946 7.181 1.00 0.00 H ATOM 199 HD3 LYS A 13 19.006 -16.355 7.875 1.00 0.00 H ATOM 200 HE2 LYS A 13 20.319 -17.947 5.663 1.00 0.00 H ATOM 201 HE3 LYS A 13 18.899 -18.396 6.636 1.00 0.00 H ATOM 202 HZ1 LYS A 13 21.676 -18.157 7.619 1.00 0.00 H ATOM 203 HZ2 LYS A 13 20.320 -18.585 8.548 1.00 0.00 H ATOM 204 HZ3 LYS A 13 20.844 -19.601 7.291 1.00 0.00 H ATOM 205 H LYS A 13 17.907 -11.911 5.766 1.00 0.00 H ATOM 206 N ARG A 14 15.815 -14.247 4.590 1.00 9.77 N ATOM 207 CA ARG A 14 14.623 -14.937 4.125 1.00 10.30 C ATOM 208 C ARG A 14 14.301 -14.650 2.662 1.00 10.43 C ATOM 209 O ARG A 14 13.715 -15.490 1.977 1.00 10.49 O ATOM 210 CB ARG A 14 13.431 -14.566 4.975 1.00 10.28 C ATOM 211 CG ARG A 14 12.172 -15.133 4.403 1.00 10.74 C ATOM 212 CD ARG A 14 11.025 -14.867 5.303 1.00 10.62 C ATOM 213 NE ARG A 14 11.029 -13.495 5.790 1.00 8.60 N ATOM 214 CZ ARG A 14 10.438 -12.478 5.178 1.00 9.03 C ATOM 215 NH1 ARG A 14 9.791 -12.671 4.031 1.00 11.23 N ATOM 216 NH2 ARG A 14 10.507 -11.274 5.724 1.00 8.21 N ATOM 217 HA ARG A 14 14.835 -16.003 4.215 1.00 0.00 H ATOM 218 HB2 ARG A 14 13.574 -14.958 5.982 1.00 0.00 H ATOM 219 HB3 ARG A 14 13.347 -13.480 5.018 1.00 0.00 H ATOM 220 HG2 ARG A 14 11.981 -14.675 3.433 1.00 0.00 H ATOM 221 HG3 ARG A 14 12.288 -16.210 4.278 1.00 0.00 H ATOM 222 HD2 ARG A 14 11.080 -15.545 6.155 1.00 0.00 H ATOM 223 HD3 ARG A 14 10.099 -15.046 4.757 1.00 0.00 H ATOM 224 HE ARG A 14 11.530 -13.299 6.680 1.00 0.00 H ATOM 225 HH12 ARG A 14 9.329 -11.871 3.554 1.00 0.00 H ATOM 226 HH11 ARG A 14 9.748 -13.622 3.612 1.00 0.00 H ATOM 227 HH22 ARG A 14 10.049 -10.465 5.258 1.00 0.00 H ATOM 228 HH21 ARG A 14 11.019 -11.137 6.619 1.00 0.00 H ATOM 229 H ARG A 14 15.734 -13.538 5.346 1.00 0.00 H ATOM 230 N HIS A 15 14.682 -13.460 2.200 1.00 10.74 N ATOM 231 CA HIS A 15 14.534 -13.060 0.807 1.00 11.54 C ATOM 232 C HIS A 15 15.716 -13.451 -0.089 1.00 12.11 C ATOM 233 O HIS A 15 15.766 -13.036 -1.248 1.00 13.47 O ATOM 234 CB HIS A 15 14.294 -11.559 0.723 1.00 11.67 C ATOM 235 CG HIS A 15 12.896 -11.157 1.058 1.00 11.92 C ATOM 236 ND1 HIS A 15 12.571 -10.418 2.173 1.00 12.37 N ATOM 237 CD2 HIS A 15 11.731 -11.389 0.409 1.00 13.08 C ATOM 238 CE1 HIS A 15 11.266 -10.211 2.197 1.00 12.35 C ATOM 239 NE2 HIS A 15 10.734 -10.792 1.138 1.00 14.24 N ATOM 240 HA HIS A 15 13.674 -13.610 0.425 1.00 0.00 H ATOM 241 HB2 HIS A 15 14.971 -11.062 1.418 1.00 0.00 H ATOM 242 HB3 HIS A 15 14.513 -11.231 -0.293 1.00 0.00 H ATOM 243 HD2 HIS A 15 11.608 -11.946 -0.520 1.00 0.00 H ATOM 244 HE1 HIS A 15 10.722 -9.655 2.961 1.00 0.00 H ATOM 245 H HIS A 15 15.106 -12.783 2.866 1.00 0.00 H ATOM 246 N GLY A 16 16.664 -14.219 0.445 1.00 12.06 N ATOM 247 CA GLY A 16 17.745 -14.787 -0.358 1.00 12.28 C ATOM 248 C GLY A 16 18.914 -13.867 -0.682 1.00 12.00 C ATOM 249 O GLY A 16 19.621 -14.099 -1.665 1.00 12.61 O ATOM 250 HA3 GLY A 16 17.315 -15.120 -1.303 1.00 0.00 H ATOM 251 HA2 GLY A 16 18.141 -15.647 0.182 1.00 0.00 H ATOM 252 H GLY A 16 16.634 -14.421 1.465 1.00 0.00 H ATOM 253 N LEU A 17 19.126 -12.822 0.124 1.00 12.19 N ATOM 254 CA LEU A 17 20.274 -11.931 -0.091 1.00 11.84 C ATOM 255 C LEU A 17 21.591 -12.461 0.438 1.00 11.86 C ATOM 256 O LEU A 17 22.647 -12.041 -0.041 1.00 11.42 O ATOM 257 CB LEU A 17 20.035 -10.534 0.482 1.00 12.26 C ATOM 258 CG LEU A 17 19.202 -9.549 -0.336 1.00 12.32 C ATOM 259 CD1 LEU A 17 19.122 -8.228 0.418 1.00 12.30 C ATOM 260 CD2 LEU A 17 19.721 -9.324 -1.767 1.00 11.67 C ATOM 261 HA LEU A 17 20.359 -11.878 -1.176 1.00 0.00 H ATOM 262 HB2 LEU A 17 19.535 -10.660 1.443 1.00 0.00 H ATOM 263 HB3 LEU A 17 21.012 -10.078 0.639 1.00 0.00 H ATOM 264 HG LEU A 17 18.212 -9.989 -0.456 1.00 0.00 H ATOM 265 HD21 LEU A 17 20.736 -8.930 -1.726 1.00 0.00 H ATOM 266 HD22 LEU A 17 19.719 -10.271 -2.306 1.00 0.00 H ATOM 267 HD23 LEU A 17 19.074 -8.612 -2.279 1.00 0.00 H ATOM 268 HD11 LEU A 17 18.653 -8.393 1.388 1.00 0.00 H ATOM 269 HD12 LEU A 17 20.127 -7.832 0.562 1.00 0.00 H ATOM 270 HD13 LEU A 17 18.529 -7.518 -0.158 1.00 0.00 H ATOM 271 H LEU A 17 18.472 -12.638 0.911 1.00 0.00 H ATOM 272 N ASP A 18 21.556 -13.361 1.420 1.00 11.71 N ATOM 273 CA ASP A 18 22.800 -13.890 1.967 1.00 12.58 C ATOM 274 C ASP A 18 23.530 -14.614 0.863 1.00 12.47 C ATOM 275 O ASP A 18 23.056 -15.631 0.337 1.00 13.04 O ATOM 276 CB ASP A 18 22.583 -14.788 3.198 1.00 13.24 C ATOM 277 CG ASP A 18 23.912 -15.289 3.839 1.00 15.28 C ATOM 278 OD1 ASP A 18 23.854 -16.329 4.541 1.00 19.23 O ATOM 279 OD2 ASP A 18 25.002 -14.663 3.687 1.00 16.16 O ATOM 280 HA ASP A 18 23.405 -13.059 2.331 1.00 0.00 H ATOM 281 HB2 ASP A 18 22.030 -14.221 3.947 1.00 0.00 H ATOM 282 HB3 ASP A 18 21.997 -15.655 2.895 1.00 0.00 H ATOM 283 H ASP A 18 20.642 -13.686 1.796 1.00 0.00 H ATOM 284 N ASN A 19 24.700 -14.074 0.536 1.00 12.39 N ATOM 285 CA ASN A 19 25.569 -14.538 -0.545 1.00 12.16 C ATOM 286 C ASN A 19 25.004 -14.372 -1.960 1.00 11.46 C ATOM 287 O ASN A 19 25.490 -15.010 -2.895 1.00 11.49 O ATOM 288 CB ASN A 19 26.095 -15.957 -0.305 1.00 12.62 C ATOM 289 CG ASN A 19 27.564 -16.086 -0.646 1.00 13.51 C ATOM 290 OD1 ASN A 19 28.016 -17.130 -1.114 1.00 14.72 O ATOM 291 ND2 ASN A 19 28.322 -15.019 -0.412 1.00 13.29 N ATOM 292 HA ASN A 19 26.416 -13.853 -0.507 1.00 0.00 H ATOM 293 HB2 ASN A 19 25.954 -16.211 0.746 1.00 0.00 H ATOM 294 HB3 ASN A 19 25.528 -16.652 -0.925 1.00 0.00 H ATOM 295 HD22 ASN A 19 27.898 -14.156 -0.015 1.00 0.00 H ATOM 296 HD21 ASN A 19 29.339 -15.047 -0.626 1.00 0.00 H ATOM 297 H ASN A 19 25.023 -13.257 1.093 1.00 0.00 H ATOM 298 N TYR A 20 23.998 -13.511 -2.117 1.00 11.00 N ATOM 299 CA TYR A 20 23.474 -13.176 -3.447 1.00 10.60 C ATOM 300 C TYR A 20 24.565 -12.454 -4.247 1.00 10.12 C ATOM 301 O TYR A 20 25.165 -11.484 -3.765 1.00 9.16 O ATOM 302 CB TYR A 20 22.192 -12.340 -3.383 1.00 10.55 C ATOM 303 CG TYR A 20 21.539 -12.221 -4.737 1.00 10.10 C ATOM 304 CD1 TYR A 20 20.606 -13.167 -5.174 1.00 10.60 C ATOM 305 CD2 TYR A 20 21.865 -11.174 -5.601 1.00 10.92 C ATOM 306 CE1 TYR A 20 20.025 -13.064 -6.428 1.00 12.05 C ATOM 307 CE2 TYR A 20 21.289 -11.065 -6.854 1.00 11.11 C ATOM 308 CZ TYR A 20 20.376 -12.015 -7.265 1.00 11.67 C ATOM 309 OH TYR A 20 19.800 -11.891 -8.505 1.00 13.29 O ATOM 310 HA TYR A 20 23.201 -14.105 -3.949 1.00 0.00 H ATOM 311 HB3 TYR A 20 22.438 -11.342 -3.019 1.00 0.00 H ATOM 312 HB2 TYR A 20 21.494 -12.815 -2.694 1.00 0.00 H ATOM 313 HD2 TYR A 20 22.590 -10.425 -5.281 1.00 0.00 H ATOM 314 HE2 TYR A 20 21.554 -10.236 -7.511 1.00 0.00 H ATOM 315 HE1 TYR A 20 19.295 -13.804 -6.755 1.00 0.00 H ATOM 316 HD1 TYR A 20 20.333 -13.995 -4.520 1.00 0.00 H ATOM 317 HH TYR A 20 19.173 -12.643 -8.653 1.00 0.00 H ATOM 318 H TYR A 20 23.575 -13.066 -1.278 1.00 0.00 H ATOM 319 N ARG A 21 24.850 -12.958 -5.445 1.00 10.64 N ATOM 320 CA ARG A 21 25.991 -12.493 -6.248 1.00 11.01 C ATOM 321 C ARG A 21 27.309 -12.524 -5.459 1.00 9.77 C ATOM 322 O ARG A 21 28.230 -11.745 -5.735 1.00 10.06 O ATOM 323 CB ARG A 21 25.733 -11.095 -6.839 1.00 12.29 C ATOM 324 CG ARG A 21 24.734 -11.074 -7.995 1.00 14.93 C ATOM 325 CD ARG A 21 25.405 -11.228 -9.357 1.00 20.10 C ATOM 326 NE ARG A 21 25.772 -12.617 -9.638 1.00 24.24 N ATOM 327 CZ ARG A 21 27.008 -13.105 -9.552 1.00 25.81 C ATOM 328 NH1 ARG A 21 28.021 -12.323 -9.189 1.00 27.21 N ATOM 329 NH2 ARG A 21 27.236 -14.384 -9.823 1.00 26.68 N ATOM 330 HA ARG A 21 26.096 -13.194 -7.076 1.00 0.00 H ATOM 331 HB2 ARG A 21 25.350 -10.454 -6.045 1.00 0.00 H ATOM 332 HB3 ARG A 21 26.681 -10.697 -7.200 1.00 0.00 H ATOM 333 HG2 ARG A 21 24.027 -11.892 -7.860 1.00 0.00 H ATOM 334 HG3 ARG A 21 24.198 -10.125 -7.976 1.00 0.00 H ATOM 335 HD2 ARG A 21 26.306 -10.616 -9.376 1.00 0.00 H ATOM 336 HD3 ARG A 21 24.717 -10.883 -10.129 1.00 0.00 H ATOM 337 HE ARG A 21 25.014 -13.269 -9.925 1.00 0.00 H ATOM 338 HH12 ARG A 21 28.983 -12.714 -9.125 1.00 0.00 H ATOM 339 HH11 ARG A 21 27.851 -11.321 -8.969 1.00 0.00 H ATOM 340 HH22 ARG A 21 28.201 -14.766 -9.756 1.00 0.00 H ATOM 341 HH21 ARG A 21 26.450 -15.005 -10.102 1.00 0.00 H ATOM 342 H ARG A 21 24.242 -13.710 -5.828 1.00 0.00 H ATOM 343 N GLY A 22 27.378 -13.419 -4.474 1.00 9.21 N ATOM 344 CA GLY A 22 28.574 -13.596 -3.663 1.00 8.33 C ATOM 345 C GLY A 22 28.756 -12.633 -2.492 1.00 7.84 C ATOM 346 O GLY A 22 29.801 -12.638 -1.846 1.00 7.80 O ATOM 347 HA3 GLY A 22 29.438 -13.486 -4.319 1.00 0.00 H ATOM 348 HA2 GLY A 22 28.553 -14.608 -3.259 1.00 0.00 H ATOM 349 H GLY A 22 26.547 -14.013 -4.277 1.00 0.00 H ATOM 350 N TYR A 23 27.745 -11.816 -2.209 1.00 7.30 N ATOM 351 CA TYR A 23 27.821 -10.838 -1.125 1.00 6.82 C ATOM 352 C TYR A 23 27.150 -11.378 0.121 1.00 6.52 C ATOM 353 O TYR A 23 25.930 -11.575 0.157 1.00 6.99 O ATOM 354 CB TYR A 23 27.191 -9.521 -1.550 1.00 6.65 C ATOM 355 CG TYR A 23 28.022 -8.798 -2.579 1.00 5.43 C ATOM 356 CD1 TYR A 23 29.058 -7.942 -2.202 1.00 5.51 C ATOM 357 CD2 TYR A 23 27.795 -8.989 -3.940 1.00 6.03 C ATOM 358 CE1 TYR A 23 29.830 -7.290 -3.152 1.00 5.10 C ATOM 359 CE2 TYR A 23 28.561 -8.330 -4.905 1.00 5.46 C ATOM 360 CZ TYR A 23 29.581 -7.482 -4.497 1.00 5.04 C ATOM 361 OH TYR A 23 30.354 -6.807 -5.406 1.00 5.74 O ATOM 362 HA TYR A 23 28.871 -10.654 -0.896 1.00 0.00 H ATOM 363 HB3 TYR A 23 27.085 -8.883 -0.673 1.00 0.00 H ATOM 364 HB2 TYR A 23 26.206 -9.723 -1.972 1.00 0.00 H ATOM 365 HD2 TYR A 23 27.003 -9.667 -4.259 1.00 0.00 H ATOM 366 HE2 TYR A 23 28.360 -8.480 -5.966 1.00 0.00 H ATOM 367 HE1 TYR A 23 30.634 -6.625 -2.837 1.00 0.00 H ATOM 368 HD1 TYR A 23 29.264 -7.783 -1.143 1.00 0.00 H ATOM 369 HH TYR A 23 30.819 -7.458 -5.990 1.00 0.00 H ATOM 370 H TYR A 23 26.875 -11.875 -2.776 1.00 0.00 H ATOM 371 N SER A 24 27.961 -11.627 1.143 1.00 7.07 N ATOM 372 CA SER A 24 27.467 -12.186 2.392 1.00 7.59 C ATOM 373 C SER A 24 26.482 -11.241 3.061 1.00 6.73 C ATOM 374 O SER A 24 26.497 -10.026 2.824 1.00 6.87 O ATOM 375 CB SER A 24 28.630 -12.470 3.332 1.00 8.36 C ATOM 376 OG SER A 24 29.248 -11.266 3.722 1.00 10.01 O ATOM 377 HA SER A 24 26.949 -13.118 2.166 1.00 0.00 H ATOM 378 HB2 SER A 24 29.359 -13.100 2.823 1.00 0.00 H ATOM 379 HB3 SER A 24 28.260 -12.988 4.217 1.00 0.00 H ATOM 380 HG SER A 24 30.001 -11.466 4.332 1.00 0.00 H ATOM 381 H SER A 24 28.975 -11.417 1.048 1.00 0.00 H ATOM 382 N LEU A 25 25.656 -11.808 3.932 1.00 6.15 N ATOM 383 CA LEU A 25 24.590 -11.077 4.601 1.00 6.29 C ATOM 384 C LEU A 25 25.075 -9.793 5.286 1.00 5.65 C ATOM 385 O LEU A 25 24.396 -8.762 5.215 1.00 5.95 O ATOM 386 CB LEU A 25 23.868 -11.996 5.587 1.00 6.70 C ATOM 387 CG LEU A 25 22.592 -11.461 6.237 1.00 7.32 C ATOM 388 CD1 LEU A 25 21.546 -11.083 5.213 1.00 8.98 C ATOM 389 CD2 LEU A 25 22.038 -12.527 7.155 1.00 8.18 C ATOM 390 HA LEU A 25 23.889 -10.753 3.832 1.00 0.00 H ATOM 391 HB2 LEU A 25 23.606 -12.909 5.052 1.00 0.00 H ATOM 392 HB3 LEU A 25 24.569 -12.234 6.387 1.00 0.00 H ATOM 393 HG LEU A 25 22.843 -10.558 6.793 1.00 0.00 H ATOM 394 HD21 LEU A 25 21.814 -13.423 6.576 1.00 0.00 H ATOM 395 HD22 LEU A 25 22.776 -12.764 7.922 1.00 0.00 H ATOM 396 HD23 LEU A 25 21.126 -12.160 7.627 1.00 0.00 H ATOM 397 HD11 LEU A 25 21.944 -10.308 4.558 1.00 0.00 H ATOM 398 HD12 LEU A 25 21.284 -11.961 4.622 1.00 0.00 H ATOM 399 HD13 LEU A 25 20.659 -10.709 5.723 1.00 0.00 H ATOM 400 H LEU A 25 25.776 -12.819 4.146 1.00 0.00 H ATOM 401 N GLY A 26 26.242 -9.847 5.924 1.00 5.56 N ATOM 402 CA GLY A 26 26.785 -8.679 6.603 1.00 5.78 C ATOM 403 C GLY A 26 27.016 -7.501 5.665 1.00 4.97 C ATOM 404 O GLY A 26 26.866 -6.344 6.082 1.00 5.17 O ATOM 405 HA3 GLY A 26 27.737 -8.953 7.059 1.00 0.00 H ATOM 406 HA2 GLY A 26 26.086 -8.372 7.381 1.00 0.00 H ATOM 407 H GLY A 26 26.776 -10.740 5.938 1.00 0.00 H ATOM 408 N ASN A 27 27.384 -7.773 4.412 1.00 5.23 N ATOM 409 CA ASN A 27 27.511 -6.708 3.420 1.00 4.87 C ATOM 410 C ASN A 27 26.208 -5.945 3.212 1.00 4.78 C ATOM 411 O ASN A 27 26.207 -4.715 3.128 1.00 4.57 O ATOM 412 CB ASN A 27 27.997 -7.254 2.080 1.00 4.97 C ATOM 413 CG ASN A 27 29.467 -7.501 2.068 1.00 5.35 C ATOM 414 OD1 ASN A 27 30.253 -6.563 1.988 1.00 5.84 O ATOM 415 ND2 ASN A 27 29.858 -8.762 2.166 1.00 7.29 N ATOM 416 HA ASN A 27 28.250 -6.013 3.818 1.00 0.00 H ATOM 417 HB2 ASN A 27 27.482 -8.193 1.876 1.00 0.00 H ATOM 418 HB3 ASN A 27 27.756 -6.532 1.299 1.00 0.00 H ATOM 419 HD22 ASN A 27 29.151 -9.522 2.231 1.00 0.00 H ATOM 420 HD21 ASN A 27 30.872 -8.993 2.178 1.00 0.00 H ATOM 421 H ASN A 27 27.583 -8.756 4.138 1.00 0.00 H ATOM 422 N TRP A 28 25.107 -6.683 3.120 1.00 4.83 N ATOM 423 CA TRP A 28 23.791 -6.105 2.886 1.00 5.25 C ATOM 424 C TRP A 28 23.304 -5.336 4.100 1.00 4.80 C ATOM 425 O TRP A 28 22.714 -4.259 3.967 1.00 5.06 O ATOM 426 CB TRP A 28 22.796 -7.205 2.496 1.00 5.58 C ATOM 427 CG TRP A 28 23.144 -7.845 1.193 1.00 5.53 C ATOM 428 CD1 TRP A 28 23.742 -9.057 0.991 1.00 6.15 C ATOM 429 CD2 TRP A 28 22.942 -7.278 -0.100 1.00 5.81 C ATOM 430 NE1 TRP A 28 23.912 -9.279 -0.352 1.00 6.72 N ATOM 431 CE2 TRP A 28 23.427 -8.203 -1.044 1.00 6.37 C ATOM 432 CE3 TRP A 28 22.397 -6.067 -0.553 1.00 5.95 C ATOM 433 CZ2 TRP A 28 23.374 -7.965 -2.413 1.00 7.24 C ATOM 434 CZ3 TRP A 28 22.331 -5.834 -1.911 1.00 7.84 C ATOM 435 CH2 TRP A 28 22.824 -6.776 -2.828 1.00 7.82 C ATOM 436 HA TRP A 28 23.868 -5.396 2.062 1.00 0.00 H ATOM 437 HB2 TRP A 28 22.795 -7.969 3.273 1.00 0.00 H ATOM 438 HB3 TRP A 28 21.801 -6.767 2.417 1.00 0.00 H ATOM 439 HE1 TRP A 28 24.340 -10.127 -0.775 1.00 0.00 H ATOM 440 HD1 TRP A 28 24.040 -9.746 1.781 1.00 0.00 H ATOM 441 HZ2 TRP A 28 23.754 -8.693 -3.129 1.00 0.00 H ATOM 442 HH2 TRP A 28 22.769 -6.559 -3.895 1.00 0.00 H ATOM 443 HZ3 TRP A 28 21.890 -4.907 -2.277 1.00 0.00 H ATOM 444 HE3 TRP A 28 22.032 -5.323 0.156 1.00 0.00 H ATOM 445 H TRP A 28 25.188 -7.715 3.219 1.00 0.00 H ATOM 446 N VAL A 29 23.547 -5.881 5.290 1.00 4.76 N ATOM 447 CA VAL A 29 23.137 -5.195 6.514 1.00 4.81 C ATOM 448 C VAL A 29 23.953 -3.908 6.699 1.00 4.58 C ATOM 449 O VAL A 29 23.393 -2.862 7.008 1.00 4.76 O ATOM 450 CB VAL A 29 23.238 -6.128 7.746 1.00 4.90 C ATOM 451 CG1 VAL A 29 22.952 -5.370 9.048 1.00 5.89 C ATOM 452 CG2 VAL A 29 22.289 -7.326 7.588 1.00 6.13 C ATOM 453 HA VAL A 29 22.088 -4.916 6.420 1.00 0.00 H ATOM 454 HB VAL A 29 24.261 -6.501 7.804 1.00 0.00 H ATOM 455 HG11 VAL A 29 23.676 -4.564 9.164 1.00 0.00 H ATOM 456 HG12 VAL A 29 21.945 -4.953 9.011 1.00 0.00 H ATOM 457 HG13 VAL A 29 23.032 -6.056 9.891 1.00 0.00 H ATOM 458 HG21 VAL A 29 21.264 -6.966 7.497 1.00 0.00 H ATOM 459 HG22 VAL A 29 22.560 -7.887 6.693 1.00 0.00 H ATOM 460 HG23 VAL A 29 22.372 -7.972 8.462 1.00 0.00 H ATOM 461 H VAL A 29 24.031 -6.800 5.349 1.00 0.00 H ATOM 462 N CYS A 30 25.268 -3.992 6.478 1.00 4.56 N ATOM 463 CA CYS A 30 26.137 -2.821 6.539 1.00 4.74 C ATOM 464 C CYS A 30 25.682 -1.746 5.543 1.00 4.52 C ATOM 465 O CYS A 30 25.594 -0.559 5.888 1.00 5.00 O ATOM 466 CB CYS A 30 27.589 -3.239 6.293 1.00 5.10 C ATOM 467 SG CYS A 30 28.791 -1.923 6.497 1.00 5.23 S ATOM 468 HA CYS A 30 26.071 -2.383 7.535 1.00 0.00 H ATOM 469 HB2 CYS A 30 27.666 -3.615 5.273 1.00 0.00 H ATOM 470 HB3 CYS A 30 27.836 -4.037 6.993 1.00 0.00 H ATOM 471 HG CYS A 30 27.780 -1.364 7.252 1.00 0.00 H ATOM 472 H CYS A 30 25.684 -4.919 6.256 1.00 0.00 H ATOM 473 N ALA A 31 25.379 -2.159 4.317 1.00 4.79 N ATOM 474 CA ALA A 31 24.920 -1.202 3.318 1.00 4.64 C ATOM 475 C ALA A 31 23.659 -0.486 3.786 1.00 4.50 C ATOM 476 O ALA A 31 23.567 0.741 3.709 1.00 4.93 O ATOM 477 CB ALA A 31 24.684 -1.883 1.973 1.00 5.21 C ATOM 478 HA ALA A 31 25.705 -0.457 3.187 1.00 0.00 H ATOM 479 HB1 ALA A 31 25.615 -2.331 1.626 1.00 0.00 H ATOM 480 HB2 ALA A 31 23.927 -2.659 2.088 1.00 0.00 H ATOM 481 HB3 ALA A 31 24.342 -1.144 1.248 1.00 0.00 H ATOM 482 H ALA A 31 25.469 -3.165 4.070 1.00 0.00 H ATOM 483 N ALA A 32 22.678 -1.244 4.269 1.00 4.49 N ATOM 484 CA ALA A 32 21.432 -0.631 4.731 1.00 4.66 C ATOM 485 C ALA A 32 21.682 0.297 5.909 1.00 4.52 C ATOM 486 O ALA A 32 21.063 1.350 6.007 1.00 5.01 O ATOM 487 CB ALA A 32 20.416 -1.687 5.102 1.00 5.33 C ATOM 488 HA ALA A 32 21.031 -0.039 3.908 1.00 0.00 H ATOM 489 HB1 ALA A 32 20.201 -2.305 4.230 1.00 0.00 H ATOM 490 HB2 ALA A 32 20.817 -2.311 5.901 1.00 0.00 H ATOM 491 HB3 ALA A 32 19.500 -1.204 5.442 1.00 0.00 H ATOM 492 H ALA A 32 22.797 -2.276 4.318 1.00 0.00 H ATOM 493 N LYS A 33 22.566 -0.095 6.826 1.00 5.01 N ATOM 494 CA LYS A 33 22.859 0.753 7.967 1.00 5.43 C ATOM 495 C LYS A 33 23.315 2.133 7.511 1.00 5.52 C ATOM 496 O LYS A 33 22.802 3.158 7.970 1.00 5.79 O ATOM 497 CB LYS A 33 23.939 0.121 8.839 1.00 6.33 C ATOM 498 CG LYS A 33 24.476 1.037 9.909 1.00 9.57 C ATOM 499 CD LYS A 33 23.467 1.277 10.977 1.00 12.65 C ATOM 500 CE LYS A 33 24.054 2.170 12.039 1.00 15.52 C ATOM 501 NZ LYS A 33 23.072 2.413 13.119 1.00 17.56 N ATOM 502 HA LYS A 33 21.944 0.858 8.550 1.00 0.00 H ATOM 503 HB2 LYS A 33 23.518 -0.761 9.322 1.00 0.00 H ATOM 504 HB3 LYS A 33 24.767 -0.179 8.197 1.00 0.00 H ATOM 505 HG2 LYS A 33 25.362 0.583 10.353 1.00 0.00 H ATOM 506 HG3 LYS A 33 24.747 1.991 9.456 1.00 0.00 H ATOM 507 HD2 LYS A 33 22.589 1.756 10.545 1.00 0.00 H ATOM 508 HD3 LYS A 33 23.177 0.325 11.423 1.00 0.00 H ATOM 509 HE2 LYS A 33 24.336 3.123 11.590 1.00 0.00 H ATOM 510 HE3 LYS A 33 24.939 1.692 12.460 1.00 0.00 H ATOM 511 HZ1 LYS A 33 22.228 2.872 12.721 1.00 0.00 H ATOM 512 HZ2 LYS A 33 22.803 1.506 13.552 1.00 0.00 H ATOM 513 HZ3 LYS A 33 23.497 3.030 13.840 1.00 0.00 H ATOM 514 H LYS A 33 23.047 -1.011 6.724 1.00 0.00 H ATOM 515 N PHE A 34 24.291 2.166 6.619 1.00 4.94 N ATOM 516 CA PHE A 34 24.871 3.439 6.245 1.00 5.37 C ATOM 517 C PHE A 34 24.098 4.178 5.162 1.00 5.54 C ATOM 518 O PHE A 34 24.194 5.393 5.075 1.00 7.15 O ATOM 519 CB PHE A 34 26.361 3.289 5.943 1.00 5.51 C ATOM 520 CG PHE A 34 27.154 2.885 7.145 1.00 5.71 C ATOM 521 CD1 PHE A 34 27.069 3.606 8.337 1.00 6.39 C ATOM 522 CD2 PHE A 34 27.998 1.785 7.088 1.00 7.22 C ATOM 523 CE1 PHE A 34 27.818 3.228 9.453 1.00 7.30 C ATOM 524 CE2 PHE A 34 28.749 1.402 8.196 1.00 9.02 C ATOM 525 CZ PHE A 34 28.657 2.124 9.380 1.00 7.64 C ATOM 526 HA PHE A 34 24.782 4.094 7.112 1.00 0.00 H ATOM 527 HB2 PHE A 34 26.486 2.530 5.171 1.00 0.00 H ATOM 528 HB3 PHE A 34 26.741 4.243 5.578 1.00 0.00 H ATOM 529 HD2 PHE A 34 28.074 1.213 6.163 1.00 0.00 H ATOM 530 HE2 PHE A 34 29.409 0.536 8.135 1.00 0.00 H ATOM 531 HZ PHE A 34 29.242 1.824 10.249 1.00 0.00 H ATOM 532 HE1 PHE A 34 27.744 3.798 10.379 1.00 0.00 H ATOM 533 HD1 PHE A 34 26.411 4.473 8.397 1.00 0.00 H ATOM 534 H PHE A 34 24.639 1.285 6.190 1.00 0.00 H ATOM 535 N GLU A 35 23.308 3.461 4.367 1.00 5.08 N ATOM 536 CA GLU A 35 22.451 4.099 3.377 1.00 5.23 C ATOM 537 C GLU A 35 21.225 4.744 4.022 1.00 5.40 C ATOM 538 O GLU A 35 20.895 5.891 3.719 1.00 5.83 O ATOM 539 CB GLU A 35 22.032 3.117 2.286 1.00 5.39 C ATOM 540 CG GLU A 35 23.157 2.702 1.352 1.00 6.09 C ATOM 541 CD GLU A 35 23.615 3.792 0.397 1.00 6.21 C ATOM 542 OE1 GLU A 35 23.113 4.946 0.483 1.00 8.35 O ATOM 543 OE2 GLU A 35 24.506 3.486 -0.425 1.00 7.87 O ATOM 544 HA GLU A 35 23.038 4.891 2.912 1.00 0.00 H ATOM 545 HB2 GLU A 35 21.638 2.221 2.766 1.00 0.00 H ATOM 546 HB3 GLU A 35 21.247 3.583 1.690 1.00 0.00 H ATOM 547 HG2 GLU A 35 24.010 2.400 1.959 1.00 0.00 H ATOM 548 HG3 GLU A 35 22.814 1.853 0.761 1.00 0.00 H ATOM 549 H GLU A 35 23.302 2.425 4.454 1.00 0.00 H ATOM 550 N SER A 36 20.534 4.007 4.893 1.00 5.73 N ATOM 551 CA SER A 36 19.223 4.434 5.393 1.00 6.07 C ATOM 552 C SER A 36 19.090 4.458 6.899 1.00 6.44 C ATOM 553 O SER A 36 18.035 4.828 7.405 1.00 6.51 O ATOM 554 CB SER A 36 18.130 3.533 4.841 1.00 6.14 C ATOM 555 OG SER A 36 18.243 2.249 5.437 1.00 5.58 O ATOM 556 HA SER A 36 19.120 5.462 5.047 1.00 0.00 H ATOM 557 HB2 SER A 36 18.240 3.445 3.760 1.00 0.00 H ATOM 558 HB3 SER A 36 17.154 3.959 5.072 1.00 0.00 H ATOM 559 HG SER A 36 19.131 1.865 5.226 1.00 0.00 H ATOM 560 H SER A 36 20.935 3.107 5.226 1.00 0.00 H ATOM 561 N ASN A 37 20.128 4.044 7.617 1.00 6.63 N ATOM 562 CA ASN A 37 20.012 3.823 9.057 1.00 7.62 C ATOM 563 C ASN A 37 18.865 2.853 9.408 1.00 6.76 C ATOM 564 O ASN A 37 18.236 2.966 10.464 1.00 7.34 O ATOM 565 CB ASN A 37 19.902 5.161 9.805 1.00 9.46 C ATOM 566 CG ASN A 37 20.342 5.060 11.243 1.00 11.87 C ATOM 567 OD1 ASN A 37 21.124 4.192 11.598 1.00 13.18 O ATOM 568 ND2 ASN A 37 19.840 5.953 12.081 1.00 14.50 N ATOM 569 HA ASN A 37 20.926 3.335 9.394 1.00 0.00 H ATOM 570 HB2 ASN A 37 20.528 5.896 9.299 1.00 0.00 H ATOM 571 HB3 ASN A 37 18.863 5.491 9.780 1.00 0.00 H ATOM 572 HD22 ASN A 37 19.177 6.675 11.735 1.00 0.00 H ATOM 573 HD21 ASN A 37 20.109 5.932 13.085 1.00 0.00 H ATOM 574 H ASN A 37 21.040 3.874 7.146 1.00 0.00 H ATOM 575 N PHE A 38 18.620 1.887 8.523 1.00 5.70 N ATOM 576 CA PHE A 38 17.602 0.852 8.710 1.00 5.77 C ATOM 577 C PHE A 38 16.167 1.392 8.632 1.00 5.71 C ATOM 578 O PHE A 38 15.224 0.714 9.035 1.00 6.08 O ATOM 579 CB PHE A 38 17.795 0.072 10.025 1.00 6.05 C ATOM 580 CG PHE A 38 19.114 -0.661 10.159 1.00 5.30 C ATOM 581 CD1 PHE A 38 19.800 -1.209 9.069 1.00 5.77 C ATOM 582 CD2 PHE A 38 19.619 -0.876 11.423 1.00 6.93 C ATOM 583 CE1 PHE A 38 20.980 -1.937 9.269 1.00 5.86 C ATOM 584 CE2 PHE A 38 20.800 -1.588 11.625 1.00 7.20 C ATOM 585 CZ PHE A 38 21.479 -2.107 10.546 1.00 6.56 C ATOM 586 HA PHE A 38 17.743 0.167 7.874 1.00 0.00 H ATOM 587 HB2 PHE A 38 17.718 0.780 10.850 1.00 0.00 H ATOM 588 HB3 PHE A 38 16.993 -0.662 10.102 1.00 0.00 H ATOM 589 HD2 PHE A 38 19.082 -0.480 12.285 1.00 0.00 H ATOM 590 HE2 PHE A 38 21.185 -1.733 12.634 1.00 0.00 H ATOM 591 HZ PHE A 38 22.410 -2.652 10.699 1.00 0.00 H ATOM 592 HE1 PHE A 38 21.505 -2.369 8.417 1.00 0.00 H ATOM 593 HD1 PHE A 38 19.414 -1.069 8.059 1.00 0.00 H ATOM 594 H PHE A 38 19.184 1.867 7.650 1.00 0.00 H ATOM 595 N ASN A 39 15.998 2.592 8.080 1.00 5.65 N ATOM 596 CA ASN A 39 14.692 3.245 8.025 1.00 5.91 C ATOM 597 C ASN A 39 14.094 3.076 6.643 1.00 5.51 C ATOM 598 O ASN A 39 14.620 3.616 5.661 1.00 6.18 O ATOM 599 CB ASN A 39 14.869 4.723 8.349 1.00 6.63 C ATOM 600 CG ASN A 39 13.554 5.479 8.471 1.00 7.17 C ATOM 601 OD1 ASN A 39 12.478 4.982 8.134 1.00 7.17 O ATOM 602 ND2 ASN A 39 13.641 6.701 8.971 1.00 11.12 N ATOM 603 HA ASN A 39 14.017 2.793 8.751 1.00 0.00 H ATOM 604 HB2 ASN A 39 15.405 4.808 9.294 1.00 0.00 H ATOM 605 HB3 ASN A 39 15.459 5.182 7.556 1.00 0.00 H ATOM 606 HD22 ASN A 39 14.568 7.086 9.244 1.00 0.00 H ATOM 607 HD21 ASN A 39 12.783 7.276 9.091 1.00 0.00 H ATOM 608 H ASN A 39 16.822 3.080 7.675 1.00 0.00 H ATOM 609 N THR A 40 12.999 2.324 6.560 1.00 5.97 N ATOM 610 CA THR A 40 12.364 2.063 5.280 1.00 6.55 C ATOM 611 C THR A 40 11.837 3.321 4.602 1.00 5.99 C ATOM 612 O THR A 40 11.627 3.307 3.393 1.00 6.60 O ATOM 613 CB THR A 40 11.203 1.055 5.395 1.00 7.14 C ATOM 614 OG1 THR A 40 10.178 1.590 6.239 1.00 8.67 O ATOM 615 CG2 THR A 40 11.670 -0.289 5.937 1.00 8.30 C ATOM 616 HA THR A 40 13.159 1.640 4.666 1.00 0.00 H ATOM 617 HB THR A 40 10.808 0.888 4.393 1.00 0.00 H ATOM 618 HG1 THR A 40 9.841 2.436 5.851 1.00 0.00 H ATOM 619 HG23 THR A 40 12.450 -0.689 5.289 1.00 0.00 H ATOM 620 HG21 THR A 40 12.065 -0.156 6.944 1.00 0.00 H ATOM 621 HG22 THR A 40 10.828 -0.981 5.964 1.00 0.00 H ATOM 622 H THR A 40 12.591 1.917 7.426 1.00 0.00 H ATOM 623 N GLN A 41 11.622 4.392 5.368 1.00 5.93 N ATOM 624 CA GLN A 41 11.030 5.615 4.822 1.00 6.06 C ATOM 625 C GLN A 41 12.055 6.632 4.331 1.00 6.03 C ATOM 626 O GLN A 41 11.678 7.670 3.808 1.00 6.57 O ATOM 627 CB GLN A 41 10.098 6.269 5.845 1.00 6.49 C ATOM 628 CG GLN A 41 8.914 5.426 6.242 1.00 7.18 C ATOM 629 CD GLN A 41 7.880 6.261 6.965 1.00 7.75 C ATOM 630 OE1 GLN A 41 7.175 7.064 6.353 1.00 10.72 O ATOM 631 NE2 GLN A 41 7.817 6.124 8.274 1.00 7.38 N ATOM 632 HA GLN A 41 10.461 5.300 3.947 1.00 0.00 H ATOM 633 HB2 GLN A 41 10.677 6.487 6.742 1.00 0.00 H ATOM 634 HB3 GLN A 41 9.725 7.201 5.419 1.00 0.00 H ATOM 635 HG2 GLN A 41 8.465 4.996 5.347 1.00 0.00 H ATOM 636 HG3 GLN A 41 9.250 4.624 6.899 1.00 0.00 H ATOM 637 HE22 GLN A 41 8.429 5.434 8.755 1.00 0.00 H ATOM 638 HE21 GLN A 41 7.155 6.705 8.826 1.00 0.00 H ATOM 639 H GLN A 41 11.880 4.358 6.375 1.00 0.00 H ATOM 640 N ALA A 42 13.346 6.327 4.464 1.00 5.90 N ATOM 641 CA ALA A 42 14.399 7.287 4.133 1.00 6.48 C ATOM 642 C ALA A 42 14.381 7.703 2.666 1.00 5.92 C ATOM 643 O ALA A 42 14.278 6.867 1.777 1.00 6.02 O ATOM 644 CB ALA A 42 15.758 6.719 4.489 1.00 6.89 C ATOM 645 HA ALA A 42 14.204 8.182 4.724 1.00 0.00 H ATOM 646 HB1 ALA A 42 15.793 6.506 5.557 1.00 0.00 H ATOM 647 HB2 ALA A 42 15.924 5.799 3.928 1.00 0.00 H ATOM 648 HB3 ALA A 42 16.531 7.445 4.237 1.00 0.00 H ATOM 649 H ALA A 42 13.611 5.383 4.812 1.00 0.00 H ATOM 650 N THR A 43 14.485 9.009 2.432 1.00 7.16 N ATOM 651 CA THR A 43 14.620 9.578 1.093 1.00 7.84 C ATOM 652 C THR A 43 15.710 10.625 1.130 1.00 8.44 C ATOM 653 O THR A 43 15.810 11.350 2.110 1.00 9.97 O ATOM 654 CB THR A 43 13.305 10.239 0.578 1.00 8.47 C ATOM 655 OG1 THR A 43 12.923 11.318 1.440 1.00 9.93 O ATOM 656 CG2 THR A 43 12.176 9.237 0.477 1.00 9.13 C ATOM 657 HA THR A 43 14.860 8.764 0.409 1.00 0.00 H ATOM 658 HB THR A 43 13.501 10.624 -0.423 1.00 0.00 H ATOM 659 HG1 THR A 43 12.775 10.971 2.355 1.00 0.00 H ATOM 660 HG23 THR A 43 12.475 8.420 -0.180 1.00 0.00 H ATOM 661 HG21 THR A 43 11.951 8.844 1.468 1.00 0.00 H ATOM 662 HG22 THR A 43 11.292 9.728 0.070 1.00 0.00 H ATOM 663 H THR A 43 14.469 9.658 3.244 1.00 0.00 H ATOM 664 N ASN A 44 16.460 10.751 0.044 1.00 7.92 N ATOM 665 CA ASN A 44 17.469 11.793 -0.052 1.00 7.86 C ATOM 666 C ASN A 44 17.660 12.242 -1.490 1.00 7.39 C ATOM 667 O ASN A 44 17.857 11.417 -2.373 1.00 6.11 O ATOM 668 CB ASN A 44 18.798 11.300 0.526 1.00 7.97 C ATOM 669 CG ASN A 44 18.710 10.964 2.013 1.00 8.52 C ATOM 670 OD1 ASN A 44 18.638 11.857 2.854 1.00 9.56 O ATOM 671 ND2 ASN A 44 18.723 9.676 2.340 1.00 9.76 N ATOM 672 HA ASN A 44 17.124 12.649 0.528 1.00 0.00 H ATOM 673 HB2 ASN A 44 19.103 10.405 -0.016 1.00 0.00 H ATOM 674 HB3 ASN A 44 19.548 12.079 0.389 1.00 0.00 H ATOM 675 HD22 ASN A 44 18.785 8.951 1.597 1.00 0.00 H ATOM 676 HD21 ASN A 44 18.671 9.393 3.339 1.00 0.00 H ATOM 677 H ASN A 44 16.324 10.095 -0.751 1.00 0.00 H ATOM 678 N ARG A 45 17.586 13.549 -1.720 1.00 8.11 N ATOM 679 CA ARG A 45 17.805 14.122 -3.046 1.00 8.78 C ATOM 680 C ARG A 45 19.282 14.349 -3.384 1.00 9.15 C ATOM 681 O ARG A 45 20.077 14.742 -2.529 1.00 10.12 O ATOM 682 CB ARG A 45 17.054 15.446 -3.173 1.00 9.07 C ATOM 683 CG ARG A 45 15.574 15.362 -2.859 1.00 11.18 C ATOM 684 CD ARG A 45 14.883 16.676 -3.193 1.00 13.14 C ATOM 685 NE ARG A 45 14.662 16.816 -4.628 1.00 14.85 N ATOM 686 CZ ARG A 45 13.925 17.773 -5.181 1.00 15.95 C ATOM 687 NH1 ARG A 45 13.774 17.817 -6.498 1.00 17.08 N ATOM 688 NH2 ARG A 45 13.334 18.683 -4.420 1.00 17.33 N ATOM 689 HA ARG A 45 17.425 13.388 -3.757 1.00 0.00 H ATOM 690 HB2 ARG A 45 17.508 16.162 -2.488 1.00 0.00 H ATOM 691 HB3 ARG A 45 17.165 15.804 -4.197 1.00 0.00 H ATOM 692 HG2 ARG A 45 15.127 14.561 -3.448 1.00 0.00 H ATOM 693 HG3 ARG A 45 15.444 15.147 -1.798 1.00 0.00 H ATOM 694 HD2 ARG A 45 15.506 17.501 -2.848 1.00 0.00 H ATOM 695 HD3 ARG A 45 13.921 16.710 -2.681 1.00 0.00 H ATOM 696 HE ARG A 45 15.110 16.122 -5.259 1.00 0.00 H ATOM 697 HH12 ARG A 45 13.197 18.566 -6.931 1.00 0.00 H ATOM 698 HH11 ARG A 45 14.233 17.102 -7.098 1.00 0.00 H ATOM 699 HH22 ARG A 45 12.758 19.431 -4.856 1.00 0.00 H ATOM 700 HH21 ARG A 45 13.446 18.649 -3.387 1.00 0.00 H ATOM 701 H ARG A 45 17.364 14.186 -0.928 1.00 0.00 H ATOM 702 N ASN A 46 19.608 14.138 -4.659 1.00 8.89 N ATOM 703 CA ASN A 46 20.958 14.248 -5.213 1.00 9.20 C ATOM 704 C ASN A 46 21.097 15.405 -6.197 1.00 9.75 C ATOM 705 O ASN A 46 20.104 15.887 -6.740 1.00 9.50 O ATOM 706 CB ASN A 46 21.320 12.942 -5.914 1.00 9.41 C ATOM 707 CG ASN A 46 21.173 11.739 -5.007 1.00 10.00 C ATOM 708 OD1 ASN A 46 21.878 11.611 -4.006 1.00 14.52 O ATOM 709 ND2 ASN A 46 20.241 10.867 -5.334 1.00 9.94 N ATOM 710 HA ASN A 46 21.637 14.445 -4.383 1.00 0.00 H ATOM 711 HB2 ASN A 46 20.664 12.813 -6.775 1.00 0.00 H ATOM 712 HB3 ASN A 46 22.355 13.001 -6.252 1.00 0.00 H ATOM 713 HD22 ASN A 46 19.668 11.015 -6.189 1.00 0.00 H ATOM 714 HD21 ASN A 46 20.078 10.031 -4.737 1.00 0.00 H ATOM 715 H ASN A 46 18.842 13.874 -5.312 1.00 0.00 H ATOM 716 N THR A 47 22.340 15.815 -6.457 1.00 10.39 N ATOM 717 CA THR A 47 22.611 16.949 -7.346 1.00 11.73 C ATOM 718 C THR A 47 22.100 16.778 -8.772 1.00 11.63 C ATOM 719 O THR A 47 21.753 17.767 -9.421 1.00 12.34 O ATOM 720 CB THR A 47 24.111 17.327 -7.387 1.00 12.73 C ATOM 721 OG1 THR A 47 24.881 16.259 -7.949 1.00 13.86 O ATOM 722 CG2 THR A 47 24.620 17.632 -5.994 1.00 13.83 C ATOM 723 HA THR A 47 22.042 17.762 -6.895 1.00 0.00 H ATOM 724 HB THR A 47 24.218 18.215 -8.010 1.00 0.00 H ATOM 725 HG1 THR A 47 24.768 15.446 -7.396 1.00 0.00 H ATOM 726 HG23 THR A 47 24.035 18.445 -5.565 1.00 0.00 H ATOM 727 HG21 THR A 47 24.522 16.743 -5.370 1.00 0.00 H ATOM 728 HG22 THR A 47 25.668 17.926 -6.048 1.00 0.00 H ATOM 729 H THR A 47 23.139 15.316 -6.017 1.00 0.00 H ATOM 730 N ASP A 48 22.050 15.546 -9.270 1.00 10.80 N ATOM 731 CA ASP A 48 21.593 15.318 -10.635 1.00 10.45 C ATOM 732 C ASP A 48 20.063 15.391 -10.771 1.00 9.92 C ATOM 733 O ASP A 48 19.528 15.182 -11.869 1.00 10.93 O ATOM 734 CB ASP A 48 22.153 14.007 -11.203 1.00 9.98 C ATOM 735 CG ASP A 48 21.627 12.772 -10.495 1.00 9.15 C ATOM 736 OD1 ASP A 48 20.836 12.890 -9.526 1.00 8.63 O ATOM 737 OD2 ASP A 48 22.015 11.672 -10.932 1.00 9.28 O ATOM 738 HA ASP A 48 21.991 16.136 -11.236 1.00 0.00 H ATOM 739 HB2 ASP A 48 21.883 13.943 -12.257 1.00 0.00 H ATOM 740 HB3 ASP A 48 23.239 14.024 -11.108 1.00 0.00 H ATOM 741 H ASP A 48 22.339 14.739 -8.681 1.00 0.00 H ATOM 742 N GLY A 49 19.366 15.640 -9.655 1.00 8.74 N ATOM 743 CA GLY A 49 17.914 15.738 -9.664 1.00 8.15 C ATOM 744 C GLY A 49 17.210 14.447 -9.306 1.00 7.14 C ATOM 745 O GLY A 49 15.979 14.419 -9.187 1.00 8.00 O ATOM 746 HA3 GLY A 49 17.596 16.037 -10.663 1.00 0.00 H ATOM 747 HA2 GLY A 49 17.617 16.502 -8.946 1.00 0.00 H ATOM 748 H GLY A 49 19.876 15.767 -8.758 1.00 0.00 H ATOM 749 N SER A 50 17.976 13.370 -9.148 1.00 6.60 N ATOM 750 CA SER A 50 17.420 12.115 -8.680 1.00 5.97 C ATOM 751 C SER A 50 17.232 12.141 -7.167 1.00 5.24 C ATOM 752 O SER A 50 17.723 13.037 -6.478 1.00 5.79 O ATOM 753 CB SER A 50 18.330 10.942 -9.064 1.00 6.12 C ATOM 754 OG SER A 50 19.523 10.958 -8.296 1.00 6.39 O ATOM 755 HA SER A 50 16.449 11.981 -9.157 1.00 0.00 H ATOM 756 HB2 SER A 50 18.584 11.018 -10.121 1.00 0.00 H ATOM 757 HB3 SER A 50 17.802 10.006 -8.885 1.00 0.00 H ATOM 758 HG SER A 50 20.008 11.806 -8.459 1.00 0.00 H ATOM 759 H SER A 50 18.992 13.430 -9.364 1.00 0.00 H ATOM 760 N THR A 51 16.535 11.126 -6.672 1.00 5.30 N ATOM 761 CA THR A 51 16.332 10.903 -5.256 1.00 4.60 C ATOM 762 C THR A 51 16.569 9.415 -4.991 1.00 4.62 C ATOM 763 O THR A 51 16.286 8.574 -5.858 1.00 5.10 O ATOM 764 CB THR A 51 14.886 11.323 -4.871 1.00 5.17 C ATOM 765 OG1 THR A 51 14.713 12.717 -5.159 1.00 5.79 O ATOM 766 CG2 THR A 51 14.561 11.091 -3.404 1.00 5.63 C ATOM 767 HA THR A 51 17.019 11.496 -4.653 1.00 0.00 H ATOM 768 HB THR A 51 14.210 10.700 -5.457 1.00 0.00 H ATOM 769 HG1 THR A 51 14.861 12.874 -6.125 1.00 0.00 H ATOM 770 HG23 THR A 51 14.688 10.034 -3.168 1.00 0.00 H ATOM 771 HG21 THR A 51 15.233 11.686 -2.786 1.00 0.00 H ATOM 772 HG22 THR A 51 13.530 11.387 -3.210 1.00 0.00 H ATOM 773 H THR A 51 16.110 10.452 -7.340 1.00 0.00 H ATOM 774 N ASP A 52 17.093 9.125 -3.798 1.00 4.92 N ATOM 775 CA ASP A 52 17.266 7.774 -3.275 1.00 5.14 C ATOM 776 C ASP A 52 16.077 7.407 -2.410 1.00 4.88 C ATOM 777 O ASP A 52 15.606 8.237 -1.621 1.00 4.99 O ATOM 778 CB ASP A 52 18.465 7.727 -2.348 1.00 5.58 C ATOM 779 CG ASP A 52 19.783 7.783 -3.064 1.00 6.63 C ATOM 780 OD1 ASP A 52 19.842 7.901 -4.306 1.00 7.35 O ATOM 781 OD2 ASP A 52 20.788 7.696 -2.339 1.00 7.39 O ATOM 782 HA ASP A 52 17.382 7.101 -4.124 1.00 0.00 H ATOM 783 HB2 ASP A 52 18.407 8.576 -1.666 1.00 0.00 H ATOM 784 HB3 ASP A 52 18.423 6.800 -1.776 1.00 0.00 H ATOM 785 H ASP A 52 17.400 9.918 -3.199 1.00 0.00 H ATOM 786 N TYR A 53 15.630 6.156 -2.510 1.00 4.84 N ATOM 787 CA TYR A 53 14.458 5.707 -1.777 1.00 5.21 C ATOM 788 C TYR A 53 14.672 4.432 -0.993 1.00 5.05 C ATOM 789 O TYR A 53 15.099 3.405 -1.529 1.00 5.44 O ATOM 790 CB TYR A 53 13.291 5.474 -2.746 1.00 5.31 C ATOM 791 CG TYR A 53 12.846 6.729 -3.435 1.00 5.38 C ATOM 792 CD1 TYR A 53 13.491 7.192 -4.579 1.00 5.15 C ATOM 793 CD2 TYR A 53 11.795 7.482 -2.917 1.00 5.60 C ATOM 794 CE1 TYR A 53 13.083 8.357 -5.203 1.00 4.91 C ATOM 795 CE2 TYR A 53 11.383 8.666 -3.527 1.00 5.65 C ATOM 796 CZ TYR A 53 12.034 9.100 -4.663 1.00 4.96 C ATOM 797 OH TYR A 53 11.607 10.276 -5.230 1.00 5.37 O ATOM 798 HA TYR A 53 14.241 6.501 -1.063 1.00 0.00 H ATOM 799 HB3 TYR A 53 12.449 5.067 -2.186 1.00 0.00 H ATOM 800 HB2 TYR A 53 13.605 4.754 -3.502 1.00 0.00 H ATOM 801 HD2 TYR A 53 11.285 7.139 -2.017 1.00 0.00 H ATOM 802 HE2 TYR A 53 10.556 9.242 -3.111 1.00 0.00 H ATOM 803 HE1 TYR A 53 13.580 8.693 -6.113 1.00 0.00 H ATOM 804 HD1 TYR A 53 14.329 6.628 -4.989 1.00 0.00 H ATOM 805 HH TYR A 53 12.153 10.472 -6.032 1.00 0.00 H ATOM 806 H TYR A 53 16.131 5.485 -3.127 1.00 0.00 H ATOM 807 N GLY A 54 14.296 4.505 0.278 1.00 5.37 N ATOM 808 CA GLY A 54 14.101 3.321 1.091 1.00 5.89 C ATOM 809 C GLY A 54 15.318 2.776 1.787 1.00 5.61 C ATOM 810 O GLY A 54 16.377 3.404 1.848 1.00 5.78 O ATOM 811 HA3 GLY A 54 13.710 2.536 0.444 1.00 0.00 H ATOM 812 HA2 GLY A 54 13.362 3.562 1.855 1.00 0.00 H ATOM 813 H GLY A 54 14.136 5.440 0.703 1.00 0.00 H ATOM 814 N ILE A 55 15.132 1.565 2.306 1.00 6.25 N ATOM 815 CA ILE A 55 16.092 0.850 3.140 1.00 7.01 C ATOM 816 C ILE A 55 17.462 0.697 2.457 1.00 6.10 C ATOM 817 O ILE A 55 18.498 0.706 3.126 1.00 6.69 O ATOM 818 CB ILE A 55 15.479 -0.549 3.525 1.00 8.00 C ATOM 819 CG1 ILE A 55 16.287 -1.291 4.581 1.00 9.88 C ATOM 820 CG2 ILE A 55 15.257 -1.446 2.307 1.00 9.17 C ATOM 821 CD1 ILE A 55 16.072 -0.763 5.929 1.00 12.00 C ATOM 822 HA ILE A 55 16.275 1.432 4.043 1.00 0.00 H ATOM 823 HB ILE A 55 14.508 -0.316 3.961 1.00 0.00 H ATOM 824 HG12 ILE A 55 15.998 -2.342 4.567 1.00 0.00 H ATOM 825 HG13 ILE A 55 17.346 -1.203 4.336 1.00 0.00 H ATOM 826 HD11 ILE A 55 16.366 0.286 5.958 1.00 0.00 H ATOM 827 HD12 ILE A 55 15.017 -0.853 6.189 1.00 0.00 H ATOM 828 HD13 ILE A 55 16.673 -1.330 6.640 1.00 0.00 H ATOM 829 HG21 ILE A 55 14.570 -0.956 1.617 1.00 0.00 H ATOM 830 HG22 ILE A 55 16.210 -1.622 1.809 1.00 0.00 H ATOM 831 HG23 ILE A 55 14.833 -2.397 2.630 1.00 0.00 H ATOM 832 H ILE A 55 14.230 1.090 2.101 1.00 0.00 H ATOM 833 N LEU A 56 17.451 0.570 1.132 1.00 6.17 N ATOM 834 CA LEU A 56 18.679 0.443 0.362 1.00 5.81 C ATOM 835 C LEU A 56 18.912 1.614 -0.593 1.00 5.31 C ATOM 836 O LEU A 56 19.741 1.512 -1.495 1.00 6.09 O ATOM 837 CB LEU A 56 18.738 -0.900 -0.373 1.00 6.61 C ATOM 838 CG LEU A 56 19.064 -2.106 0.521 1.00 7.91 C ATOM 839 CD1 LEU A 56 18.745 -3.410 -0.195 1.00 9.22 C ATOM 840 CD2 LEU A 56 20.526 -2.080 0.972 1.00 8.68 C ATOM 841 HA LEU A 56 19.497 0.472 1.082 1.00 0.00 H ATOM 842 HB2 LEU A 56 17.769 -1.075 -0.840 1.00 0.00 H ATOM 843 HB3 LEU A 56 19.505 -0.832 -1.145 1.00 0.00 H ATOM 844 HG LEU A 56 18.438 -2.041 1.411 1.00 0.00 H ATOM 845 HD21 LEU A 56 21.175 -2.109 0.097 1.00 0.00 H ATOM 846 HD22 LEU A 56 20.715 -1.167 1.536 1.00 0.00 H ATOM 847 HD23 LEU A 56 20.726 -2.946 1.603 1.00 0.00 H ATOM 848 HD11 LEU A 56 17.685 -3.435 -0.447 1.00 0.00 H ATOM 849 HD12 LEU A 56 19.338 -3.477 -1.107 1.00 0.00 H ATOM 850 HD13 LEU A 56 18.984 -4.249 0.458 1.00 0.00 H ATOM 851 H LEU A 56 16.539 0.561 0.633 1.00 0.00 H ATOM 852 N GLN A 57 18.207 2.728 -0.373 1.00 5.34 N ATOM 853 CA GLN A 57 18.509 3.983 -1.066 1.00 5.17 C ATOM 854 C GLN A 57 18.662 3.809 -2.574 1.00 5.16 C ATOM 855 O GLN A 57 19.661 4.188 -3.183 1.00 6.04 O ATOM 856 CB GLN A 57 19.715 4.682 -0.429 1.00 5.32 C ATOM 857 CG GLN A 57 19.424 5.190 0.962 1.00 6.18 C ATOM 858 CD GLN A 57 18.499 6.379 0.937 1.00 5.46 C ATOM 859 OE1 GLN A 57 18.934 7.500 0.696 1.00 6.89 O ATOM 860 NE2 GLN A 57 17.205 6.148 1.162 1.00 6.23 N ATOM 861 HA GLN A 57 17.645 4.636 -0.939 1.00 0.00 H ATOM 862 HB2 GLN A 57 20.542 3.974 -0.376 1.00 0.00 H ATOM 863 HB3 GLN A 57 20.001 5.526 -1.056 1.00 0.00 H ATOM 864 HG2 GLN A 57 18.959 4.392 1.540 1.00 0.00 H ATOM 865 HG3 GLN A 57 20.362 5.481 1.436 1.00 0.00 H ATOM 866 HE22 GLN A 57 16.876 5.182 1.363 1.00 0.00 H ATOM 867 HE21 GLN A 57 16.524 6.934 1.137 1.00 0.00 H ATOM 868 H GLN A 57 17.422 2.703 0.309 1.00 0.00 H ATOM 869 N ILE A 58 17.627 3.230 -3.155 1.00 5.55 N ATOM 870 CA ILE A 58 17.579 2.951 -4.577 1.00 5.95 C ATOM 871 C ILE A 58 17.291 4.234 -5.365 1.00 5.64 C ATOM 872 O ILE A 58 16.372 4.995 -5.036 1.00 5.28 O ATOM 873 CB ILE A 58 16.562 1.820 -4.841 1.00 6.47 C ATOM 874 CG1 ILE A 58 17.108 0.510 -4.247 1.00 7.96 C ATOM 875 CG2 ILE A 58 16.260 1.676 -6.316 1.00 6.92 C ATOM 876 CD1 ILE A 58 16.109 -0.620 -4.182 1.00 10.08 C ATOM 877 HA ILE A 58 18.548 2.598 -4.929 1.00 0.00 H ATOM 878 HB ILE A 58 15.618 2.068 -4.356 1.00 0.00 H ATOM 879 HG12 ILE A 58 17.949 0.185 -4.859 1.00 0.00 H ATOM 880 HG13 ILE A 58 17.455 0.715 -3.234 1.00 0.00 H ATOM 881 HD11 ILE A 58 15.264 -0.321 -3.562 1.00 0.00 H ATOM 882 HD12 ILE A 58 15.759 -0.852 -5.188 1.00 0.00 H ATOM 883 HD13 ILE A 58 16.585 -1.500 -3.750 1.00 0.00 H ATOM 884 HG21 ILE A 58 15.843 2.610 -6.693 1.00 0.00 H ATOM 885 HG22 ILE A 58 17.180 1.445 -6.853 1.00 0.00 H ATOM 886 HG23 ILE A 58 15.541 0.870 -6.461 1.00 0.00 H ATOM 887 H ILE A 58 16.812 2.963 -2.567 1.00 0.00 H ATOM 888 N ASN A 59 18.096 4.450 -6.408 1.00 5.45 N ATOM 889 CA ASN A 59 18.170 5.740 -7.089 1.00 5.80 C ATOM 890 C ASN A 59 17.195 5.883 -8.259 1.00 5.83 C ATOM 891 O ASN A 59 17.091 5.003 -9.125 1.00 7.13 O ATOM 892 CB ASN A 59 19.610 5.983 -7.548 1.00 6.65 C ATOM 893 CG ASN A 59 19.810 7.357 -8.114 1.00 7.28 C ATOM 894 OD1 ASN A 59 19.737 7.553 -9.323 1.00 7.87 O ATOM 895 ND2 ASN A 59 20.045 8.325 -7.243 1.00 7.79 N ATOM 896 HA ASN A 59 17.866 6.499 -6.369 1.00 0.00 H ATOM 897 HB2 ASN A 59 20.275 5.857 -6.694 1.00 0.00 H ATOM 898 HB3 ASN A 59 19.861 5.249 -8.314 1.00 0.00 H ATOM 899 HD22 ASN A 59 20.098 8.109 -6.227 1.00 0.00 H ATOM 900 HD21 ASN A 59 20.177 9.302 -7.574 1.00 0.00 H ATOM 901 H ASN A 59 18.693 3.670 -6.749 1.00 0.00 H ATOM 902 N SER A 60 16.518 7.027 -8.306 1.00 5.64 N ATOM 903 CA SER A 60 15.470 7.294 -9.299 1.00 6.17 C ATOM 904 C SER A 60 15.956 7.645 -10.711 1.00 7.17 C ATOM 905 O SER A 60 15.132 7.763 -11.618 1.00 8.62 O ATOM 906 CB SER A 60 14.552 8.404 -8.800 1.00 6.27 C ATOM 907 OG SER A 60 15.254 9.636 -8.755 1.00 5.96 O ATOM 908 HA SER A 60 14.945 6.344 -9.401 1.00 0.00 H ATOM 909 HB2 SER A 60 14.196 8.155 -7.800 1.00 0.00 H ATOM 910 HB3 SER A 60 13.701 8.498 -9.474 1.00 0.00 H ATOM 911 HG SER A 60 14.648 10.348 -8.430 1.00 0.00 H ATOM 912 H SER A 60 16.741 7.765 -7.608 1.00 0.00 H ATOM 913 N ARG A 61 17.255 7.847 -10.908 1.00 7.01 N ATOM 914 CA ARG A 61 17.776 8.038 -12.268 1.00 8.27 C ATOM 915 C ARG A 61 17.806 6.706 -13.010 1.00 8.02 C ATOM 916 O ARG A 61 17.624 6.661 -14.232 1.00 9.48 O ATOM 917 CB ARG A 61 19.164 8.688 -12.220 1.00 8.57 C ATOM 918 CG ARG A 61 20.010 8.621 -13.487 1.00 11.38 C ATOM 919 CD ARG A 61 19.453 9.415 -14.639 1.00 15.08 C ATOM 920 NE ARG A 61 20.407 9.420 -15.748 1.00 16.35 N ATOM 921 CZ ARG A 61 20.641 8.387 -16.559 1.00 17.60 C ATOM 922 NH1 ARG A 61 19.978 7.245 -16.416 1.00 17.30 N ATOM 923 NH2 ARG A 61 21.542 8.498 -17.529 1.00 18.88 N ATOM 924 HA ARG A 61 17.114 8.710 -12.814 1.00 0.00 H ATOM 925 HB2 ARG A 61 19.025 9.741 -11.974 1.00 0.00 H ATOM 926 HB3 ARG A 61 19.727 8.201 -11.424 1.00 0.00 H ATOM 927 HG2 ARG A 61 21.004 9.003 -13.256 1.00 0.00 H ATOM 928 HG3 ARG A 61 20.085 7.578 -13.794 1.00 0.00 H ATOM 929 HD2 ARG A 61 19.268 10.440 -14.316 1.00 0.00 H ATOM 930 HD3 ARG A 61 18.517 8.965 -14.969 1.00 0.00 H ATOM 931 HE ARG A 61 20.943 10.295 -15.917 1.00 0.00 H ATOM 932 HH12 ARG A 61 20.171 6.448 -17.056 1.00 0.00 H ATOM 933 HH11 ARG A 61 19.266 7.148 -15.664 1.00 0.00 H ATOM 934 HH22 ARG A 61 21.726 7.694 -18.162 1.00 0.00 H ATOM 935 HH21 ARG A 61 22.063 9.389 -17.655 1.00 0.00 H ATOM 936 H ARG A 61 17.905 7.870 -10.096 1.00 0.00 H ATOM 937 N TRP A 62 18.012 5.620 -12.272 1.00 7.34 N ATOM 938 CA TRP A 62 18.237 4.319 -12.883 1.00 7.31 C ATOM 939 C TRP A 62 17.104 3.319 -12.674 1.00 7.12 C ATOM 940 O TRP A 62 16.740 2.595 -13.601 1.00 7.99 O ATOM 941 CB TRP A 62 19.567 3.722 -12.402 1.00 7.67 C ATOM 942 CG TRP A 62 20.750 4.559 -12.768 1.00 8.31 C ATOM 943 CD1 TRP A 62 21.395 5.459 -11.973 1.00 9.41 C ATOM 944 CD2 TRP A 62 21.419 4.590 -14.031 1.00 10.10 C ATOM 945 NE1 TRP A 62 22.425 6.055 -12.661 1.00 11.27 N ATOM 946 CE2 TRP A 62 22.462 5.537 -13.927 1.00 10.85 C ATOM 947 CE3 TRP A 62 21.235 3.913 -15.245 1.00 11.81 C ATOM 948 CZ2 TRP A 62 23.327 5.817 -14.986 1.00 12.98 C ATOM 949 CZ3 TRP A 62 22.104 4.199 -16.306 1.00 12.99 C ATOM 950 CH2 TRP A 62 23.130 5.142 -16.162 1.00 13.88 C ATOM 951 HA TRP A 62 18.275 4.504 -13.956 1.00 0.00 H ATOM 952 HB2 TRP A 62 19.532 3.625 -11.317 1.00 0.00 H ATOM 953 HB3 TRP A 62 19.687 2.736 -12.850 1.00 0.00 H ATOM 954 HE1 TRP A 62 23.069 6.779 -12.283 1.00 0.00 H ATOM 955 HD1 TRP A 62 21.131 5.676 -10.938 1.00 0.00 H ATOM 956 HZ2 TRP A 62 24.130 6.546 -14.881 1.00 0.00 H ATOM 957 HH2 TRP A 62 23.788 5.344 -17.007 1.00 0.00 H ATOM 958 HZ3 TRP A 62 21.980 3.681 -17.257 1.00 0.00 H ATOM 959 HE3 TRP A 62 20.435 3.182 -15.360 1.00 0.00 H ATOM 960 H TRP A 62 18.012 5.702 -11.235 1.00 0.00 H ATOM 961 N TRP A 63 16.551 3.265 -11.463 1.00 6.58 N ATOM 962 CA TRP A 63 15.883 2.044 -11.013 1.00 6.87 C ATOM 963 C TRP A 63 14.377 2.126 -10.804 1.00 7.23 C ATOM 964 O TRP A 63 13.678 1.142 -11.007 1.00 7.74 O ATOM 965 CB TRP A 63 16.559 1.507 -9.742 1.00 6.88 C ATOM 966 CG TRP A 63 18.040 1.314 -9.919 1.00 6.83 C ATOM 967 CD1 TRP A 63 19.030 2.047 -9.338 1.00 7.16 C ATOM 968 CD2 TRP A 63 18.685 0.392 -10.797 1.00 8.22 C ATOM 969 NE1 TRP A 63 20.263 1.614 -9.770 1.00 8.51 N ATOM 970 CE2 TRP A 63 20.078 0.602 -10.668 1.00 7.90 C ATOM 971 CE3 TRP A 63 18.227 -0.611 -11.655 1.00 8.82 C ATOM 972 CZ2 TRP A 63 21.016 -0.144 -11.373 1.00 8.64 C ATOM 973 CZ3 TRP A 63 19.170 -1.355 -12.364 1.00 9.77 C ATOM 974 CH2 TRP A 63 20.543 -1.114 -12.210 1.00 9.23 C ATOM 975 HA TRP A 63 16.001 1.357 -11.851 1.00 0.00 H ATOM 976 HB2 TRP A 63 16.392 2.215 -8.930 1.00 0.00 H ATOM 977 HB3 TRP A 63 16.109 0.548 -9.484 1.00 0.00 H ATOM 978 HE1 TRP A 63 21.181 1.994 -9.464 1.00 0.00 H ATOM 979 HD1 TRP A 63 18.869 2.861 -8.631 1.00 0.00 H ATOM 980 HZ2 TRP A 63 22.085 0.038 -11.262 1.00 0.00 H ATOM 981 HH2 TRP A 63 21.253 -1.718 -12.775 1.00 0.00 H ATOM 982 HZ3 TRP A 63 18.835 -2.135 -13.048 1.00 0.00 H ATOM 983 HE3 TRP A 63 17.161 -0.807 -11.767 1.00 0.00 H ATOM 984 H TRP A 63 16.594 4.093 -10.836 1.00 0.00 H ATOM 985 N CYS A 64 13.881 3.281 -10.370 1.00 7.45 N ATOM 986 CA CYS A 64 12.467 3.430 -10.074 1.00 7.05 C ATOM 987 C CYS A 64 11.960 4.757 -10.607 1.00 7.21 C ATOM 988 O CYS A 64 12.743 5.660 -10.869 1.00 7.72 O ATOM 989 CB CYS A 64 12.222 3.305 -8.568 1.00 7.09 C ATOM 990 SG CYS A 64 13.006 4.584 -7.525 1.00 7.17 S ATOM 991 HA CYS A 64 11.913 2.632 -10.569 1.00 0.00 H ATOM 992 HB2 CYS A 64 12.599 2.334 -8.247 1.00 0.00 H ATOM 993 HB3 CYS A 64 11.146 3.349 -8.399 1.00 0.00 H ATOM 994 HG CYS A 64 13.872 4.569 -8.599 1.00 0.00 H ATOM 995 H CYS A 64 14.518 4.093 -10.240 1.00 0.00 H ATOM 996 N ASN A 65 10.645 4.866 -10.779 1.00 6.90 N ATOM 997 CA ASN A 65 10.058 6.099 -11.259 1.00 7.44 C ATOM 998 C ASN A 65 9.484 6.954 -10.138 1.00 7.07 C ATOM 999 O ASN A 65 8.601 6.499 -9.404 1.00 7.12 O ATOM 1000 CB ASN A 65 8.934 5.813 -12.236 1.00 8.70 C ATOM 1001 CG ASN A 65 8.244 7.077 -12.645 1.00 10.22 C ATOM 1002 OD1 ASN A 65 8.884 7.979 -13.183 1.00 10.79 O ATOM 1003 ND2 ASN A 65 6.963 7.203 -12.302 1.00 13.23 N ATOM 1004 HA ASN A 65 10.869 6.644 -11.741 1.00 0.00 H ATOM 1005 HB2 ASN A 65 9.346 5.329 -13.121 1.00 0.00 H ATOM 1006 HB3 ASN A 65 8.211 5.149 -11.763 1.00 0.00 H ATOM 1007 HD22 ASN A 65 6.466 6.410 -11.849 1.00 0.00 H ATOM 1008 HD21 ASN A 65 6.460 8.094 -12.487 1.00 0.00 H ATOM 1009 H ASN A 65 10.031 4.054 -10.566 1.00 0.00 H ATOM 1010 N ASP A 66 9.956 8.194 -10.031 1.00 6.80 N ATOM 1011 CA ASP A 66 9.360 9.148 -9.090 1.00 6.65 C ATOM 1012 C ASP A 66 8.682 10.330 -9.772 1.00 7.17 C ATOM 1013 O ASP A 66 8.207 11.246 -9.100 1.00 7.87 O ATOM 1014 CB ASP A 66 10.349 9.608 -8.006 1.00 6.38 C ATOM 1015 CG ASP A 66 11.462 10.516 -8.526 1.00 5.60 C ATOM 1016 OD1 ASP A 66 11.471 10.920 -9.713 1.00 5.83 O ATOM 1017 OD2 ASP A 66 12.353 10.825 -7.699 1.00 5.25 O ATOM 1018 HA ASP A 66 8.569 8.593 -8.587 1.00 0.00 H ATOM 1019 HB2 ASP A 66 9.793 10.151 -7.242 1.00 0.00 H ATOM 1020 HB3 ASP A 66 10.807 8.724 -7.562 1.00 0.00 H ATOM 1021 H ASP A 66 10.758 8.490 -10.623 1.00 0.00 H ATOM 1022 N GLY A 67 8.631 10.294 -11.101 1.00 8.00 N ATOM 1023 CA GLY A 67 7.942 11.306 -11.888 1.00 8.94 C ATOM 1024 C GLY A 67 8.627 12.658 -11.997 1.00 8.59 C ATOM 1025 O GLY A 67 8.096 13.558 -12.654 1.00 9.89 O ATOM 1026 HA3 GLY A 67 6.962 11.466 -11.439 1.00 0.00 H ATOM 1027 HA2 GLY A 67 7.818 10.914 -12.898 1.00 0.00 H ATOM 1028 H GLY A 67 9.102 9.511 -11.597 1.00 0.00 H ATOM 1029 N ARG A 68 9.790 12.826 -11.369 1.00 7.92 N ATOM 1030 CA ARG A 68 10.464 14.125 -11.383 1.00 7.83 C ATOM 1031 C ARG A 68 11.954 14.066 -11.702 1.00 7.80 C ATOM 1032 O ARG A 68 12.643 15.070 -11.572 1.00 8.41 O ATOM 1033 CB ARG A 68 10.240 14.874 -10.057 1.00 7.97 C ATOM 1034 CG ARG A 68 10.977 14.263 -8.870 1.00 7.46 C ATOM 1035 CD ARG A 68 10.839 15.104 -7.619 1.00 7.39 C ATOM 1036 NE ARG A 68 11.738 14.617 -6.576 1.00 7.24 N ATOM 1037 CZ ARG A 68 11.685 14.993 -5.302 1.00 6.33 C ATOM 1038 NH1 ARG A 68 10.761 15.865 -4.902 1.00 7.23 N ATOM 1039 NH2 ARG A 68 12.551 14.496 -4.426 1.00 7.12 N ATOM 1040 HA ARG A 68 10.003 14.672 -12.206 1.00 0.00 H ATOM 1041 HB2 ARG A 68 10.581 15.902 -10.181 1.00 0.00 H ATOM 1042 HB3 ARG A 68 9.172 14.871 -9.837 1.00 0.00 H ATOM 1043 HG2 ARG A 68 10.568 13.272 -8.674 1.00 0.00 H ATOM 1044 HG3 ARG A 68 12.034 14.175 -9.120 1.00 0.00 H ATOM 1045 HD2 ARG A 68 9.811 15.050 -7.261 1.00 0.00 H ATOM 1046 HD3 ARG A 68 11.087 16.139 -7.853 1.00 0.00 H ATOM 1047 HE ARG A 68 12.469 13.929 -6.848 1.00 0.00 H ATOM 1048 HH12 ARG A 68 10.720 16.159 -3.905 1.00 0.00 H ATOM 1049 HH11 ARG A 68 10.080 16.252 -5.587 1.00 0.00 H ATOM 1050 HH22 ARG A 68 12.509 14.790 -3.429 1.00 0.00 H ATOM 1051 HH21 ARG A 68 13.271 13.813 -4.737 1.00 0.00 H ATOM 1052 H ARG A 68 10.223 12.026 -10.864 1.00 0.00 H ATOM 1053 N THR A 69 12.445 12.910 -12.133 1.00 7.68 N ATOM 1054 CA THR A 69 13.873 12.742 -12.360 1.00 8.02 C ATOM 1055 C THR A 69 14.168 12.716 -13.852 1.00 9.52 C ATOM 1056 O THR A 69 13.723 11.804 -14.545 1.00 9.30 O ATOM 1057 CB THR A 69 14.385 11.437 -11.727 1.00 7.29 C ATOM 1058 OG1 THR A 69 14.058 11.433 -10.337 1.00 6.39 O ATOM 1059 CG2 THR A 69 15.885 11.313 -11.889 1.00 7.07 C ATOM 1060 HA THR A 69 14.384 13.585 -11.895 1.00 0.00 H ATOM 1061 HB THR A 69 13.911 10.594 -12.229 1.00 0.00 H ATOM 1062 HG1 THR A 69 14.386 10.595 -9.925 1.00 0.00 H ATOM 1063 HG23 THR A 69 16.136 11.316 -12.950 1.00 0.00 H ATOM 1064 HG21 THR A 69 16.373 12.154 -11.396 1.00 0.00 H ATOM 1065 HG22 THR A 69 16.222 10.380 -11.437 1.00 0.00 H ATOM 1066 H THR A 69 11.800 12.114 -12.311 1.00 0.00 H ATOM 1067 N PRO A 70 14.893 13.728 -14.361 1.00 10.14 N ATOM 1068 CA PRO A 70 15.299 13.668 -15.760 1.00 10.82 C ATOM 1069 C PRO A 70 16.128 12.431 -16.086 1.00 11.25 C ATOM 1070 O PRO A 70 16.886 11.939 -15.245 1.00 11.34 O ATOM 1071 CB PRO A 70 16.142 14.929 -15.921 1.00 11.42 C ATOM 1072 CG PRO A 70 15.473 15.899 -15.008 1.00 10.14 C ATOM 1073 CD PRO A 70 15.097 15.074 -13.798 1.00 10.26 C ATOM 1074 HA PRO A 70 14.442 13.609 -16.431 1.00 0.00 H ATOM 1075 HD3 PRO A 70 15.900 15.072 -13.060 1.00 0.00 H ATOM 1076 HD2 PRO A 70 14.183 15.448 -13.337 1.00 0.00 H ATOM 1077 HG3 PRO A 70 14.585 16.323 -15.478 1.00 0.00 H ATOM 1078 HG2 PRO A 70 16.155 16.703 -14.731 1.00 0.00 H ATOM 1079 HB2 PRO A 70 17.174 14.752 -15.617 1.00 0.00 H ATOM 1080 HB3 PRO A 70 16.124 15.284 -16.951 1.00 0.00 H ATOM 1081 N GLY A 71 15.950 11.926 -17.301 1.00 11.68 N ATOM 1082 CA GLY A 71 16.738 10.801 -17.784 1.00 11.95 C ATOM 1083 C GLY A 71 16.466 9.481 -17.092 1.00 11.75 C ATOM 1084 O GLY A 71 17.253 8.548 -17.229 1.00 12.34 O ATOM 1085 HA3 GLY A 71 17.792 11.043 -17.647 1.00 0.00 H ATOM 1086 HA2 GLY A 71 16.530 10.675 -18.847 1.00 0.00 H ATOM 1087 H GLY A 71 15.230 12.345 -17.923 1.00 0.00 H ATOM 1088 N SER A 72 15.375 9.406 -16.336 1.00 11.81 N ATOM 1089 CA SER A 72 15.065 8.196 -15.594 1.00 11.58 C ATOM 1090 C SER A 72 14.939 7.011 -16.537 1.00 11.43 C ATOM 1091 O SER A 72 14.495 7.148 -17.681 1.00 11.65 O ATOM 1092 CB SER A 72 13.789 8.371 -14.781 1.00 11.83 C ATOM 1093 OG SER A 72 12.700 8.682 -15.626 1.00 12.17 O ATOM 1094 HA SER A 72 15.884 8.001 -14.902 1.00 0.00 H ATOM 1095 HB2 SER A 72 13.929 9.180 -14.064 1.00 0.00 H ATOM 1096 HB3 SER A 72 13.575 7.446 -14.246 1.00 0.00 H ATOM 1097 HG SER A 72 12.890 9.524 -16.111 1.00 0.00 H ATOM 1098 H SER A 72 14.735 10.224 -16.275 1.00 0.00 H ATOM 1099 N ARG A 73 15.367 5.855 -16.046 1.00 11.05 N ATOM 1100 CA ARG A 73 15.309 4.610 -16.805 1.00 11.13 C ATOM 1101 C ARG A 73 14.318 3.602 -16.232 1.00 10.67 C ATOM 1102 O ARG A 73 13.907 2.683 -16.940 1.00 11.88 O ATOM 1103 CB ARG A 73 16.696 3.974 -16.892 1.00 10.89 C ATOM 1104 CG ARG A 73 17.713 4.767 -17.709 1.00 12.16 C ATOM 1105 CD ARG A 73 17.481 4.646 -19.223 1.00 14.96 C ATOM 1106 NE ARG A 73 17.605 3.268 -19.696 1.00 16.77 N ATOM 1107 CZ ARG A 73 18.754 2.668 -19.997 1.00 17.44 C ATOM 1108 NH1 ARG A 73 19.905 3.317 -19.879 1.00 18.46 N ATOM 1109 NH2 ARG A 73 18.746 1.408 -20.414 1.00 18.51 N ATOM 1110 HA ARG A 73 14.956 4.876 -17.801 1.00 0.00 H ATOM 1111 HB2 ARG A 73 17.084 3.866 -15.879 1.00 0.00 H ATOM 1112 HB3 ARG A 73 16.590 2.989 -17.346 1.00 0.00 H ATOM 1113 HG2 ARG A 73 17.643 5.818 -17.428 1.00 0.00 H ATOM 1114 HG3 ARG A 73 18.712 4.396 -17.478 1.00 0.00 H ATOM 1115 HD2 ARG A 73 18.216 5.262 -19.741 1.00 0.00 H ATOM 1116 HD3 ARG A 73 16.479 5.007 -19.454 1.00 0.00 H ATOM 1117 HE ARG A 73 16.730 2.716 -19.805 1.00 0.00 H ATOM 1118 HH12 ARG A 73 20.798 2.840 -20.117 1.00 0.00 H ATOM 1119 HH11 ARG A 73 19.914 4.303 -19.549 1.00 0.00 H ATOM 1120 HH22 ARG A 73 19.640 0.933 -20.651 1.00 0.00 H ATOM 1121 HH21 ARG A 73 17.845 0.896 -20.504 1.00 0.00 H ATOM 1122 H ARG A 73 15.759 5.835 -15.083 1.00 0.00 H ATOM 1123 N ASN A 74 13.956 3.752 -14.953 1.00 9.99 N ATOM 1124 CA ASN A 74 13.017 2.841 -14.275 1.00 9.30 C ATOM 1125 C ASN A 74 13.285 1.355 -14.561 1.00 9.29 C ATOM 1126 O ASN A 74 12.380 0.605 -14.951 1.00 9.48 O ATOM 1127 CB ASN A 74 11.557 3.223 -14.595 1.00 9.44 C ATOM 1128 CG ASN A 74 10.553 2.546 -13.668 1.00 8.66 C ATOM 1129 OD1 ASN A 74 10.918 1.988 -12.633 1.00 9.34 O ATOM 1130 ND2 ASN A 74 9.269 2.610 -14.034 1.00 10.35 N ATOM 1131 HA ASN A 74 13.186 2.968 -13.206 1.00 0.00 H ATOM 1132 HB2 ASN A 74 11.450 4.303 -14.496 1.00 0.00 H ATOM 1133 HB3 ASN A 74 11.337 2.930 -15.621 1.00 0.00 H ATOM 1134 HD22 ASN A 74 9.003 3.091 -14.917 1.00 0.00 H ATOM 1135 HD21 ASN A 74 8.536 2.179 -13.436 1.00 0.00 H ATOM 1136 H ASN A 74 14.355 4.547 -14.413 1.00 0.00 H ATOM 1137 N LEU A 75 14.526 0.920 -14.346 1.00 8.90 N ATOM 1138 CA LEU A 75 14.921 -0.439 -14.732 1.00 9.24 C ATOM 1139 C LEU A 75 14.298 -1.519 -13.852 1.00 9.24 C ATOM 1140 O LEU A 75 14.200 -2.675 -14.277 1.00 10.12 O ATOM 1141 CB LEU A 75 16.445 -0.582 -14.829 1.00 10.01 C ATOM 1142 CG LEU A 75 17.087 0.250 -15.941 1.00 11.29 C ATOM 1143 CD1 LEU A 75 18.587 0.380 -15.723 1.00 13.32 C ATOM 1144 CD2 LEU A 75 16.783 -0.331 -17.308 1.00 13.02 C ATOM 1145 HA LEU A 75 14.515 -0.600 -15.730 1.00 0.00 H ATOM 1146 HB2 LEU A 75 16.878 -0.273 -13.878 1.00 0.00 H ATOM 1147 HB3 LEU A 75 16.679 -1.631 -15.009 1.00 0.00 H ATOM 1148 HG LEU A 75 16.653 1.249 -15.904 1.00 0.00 H ATOM 1149 HD21 LEU A 75 17.173 -1.347 -17.365 1.00 0.00 H ATOM 1150 HD22 LEU A 75 15.704 -0.346 -17.463 1.00 0.00 H ATOM 1151 HD23 LEU A 75 17.254 0.284 -18.075 1.00 0.00 H ATOM 1152 HD11 LEU A 75 18.773 0.869 -14.767 1.00 0.00 H ATOM 1153 HD12 LEU A 75 19.040 -0.612 -15.720 1.00 0.00 H ATOM 1154 HD13 LEU A 75 19.019 0.976 -16.527 1.00 0.00 H ATOM 1155 H LEU A 75 15.222 1.551 -13.900 1.00 0.00 H ATOM 1156 N CYS A 76 13.872 -1.161 -12.638 1.00 9.15 N ATOM 1157 CA CYS A 76 13.137 -2.104 -11.794 1.00 9.04 C ATOM 1158 C CYS A 76 11.637 -2.083 -12.056 1.00 9.21 C ATOM 1159 O CYS A 76 10.901 -2.883 -11.481 1.00 9.73 O ATOM 1160 CB CYS A 76 13.426 -1.875 -10.310 1.00 8.91 C ATOM 1161 SG CYS A 76 15.120 -2.284 -9.905 1.00 9.42 S ATOM 1162 HA CYS A 76 13.498 -3.096 -12.066 1.00 0.00 H ATOM 1163 HB2 CYS A 76 12.758 -2.501 -9.718 1.00 0.00 H ATOM 1164 HB3 CYS A 76 13.247 -0.827 -10.071 1.00 0.00 H ATOM 1165 HG CYS A 76 15.643 -1.329 -10.753 1.00 0.00 H ATOM 1166 H CYS A 76 14.065 -0.201 -12.288 1.00 0.00 H ATOM 1167 N ASN A 77 11.198 -1.182 -12.938 1.00 9.62 N ATOM 1168 CA ASN A 77 9.787 -1.052 -13.327 1.00 10.73 C ATOM 1169 C ASN A 77 8.848 -0.946 -12.119 1.00 10.42 C ATOM 1170 O ASN A 77 7.950 -1.775 -11.919 1.00 11.24 O ATOM 1171 CB ASN A 77 9.372 -2.188 -14.274 1.00 11.52 C ATOM 1172 CG ASN A 77 8.010 -1.949 -14.908 1.00 14.08 C ATOM 1173 OD1 ASN A 77 7.648 -0.813 -15.222 1.00 17.85 O ATOM 1174 ND2 ASN A 77 7.245 -3.023 -15.094 1.00 16.69 N ATOM 1175 HA ASN A 77 9.690 -0.111 -13.868 1.00 0.00 H ATOM 1176 HB2 ASN A 77 10.116 -2.273 -15.066 1.00 0.00 H ATOM 1177 HB3 ASN A 77 9.336 -3.119 -13.709 1.00 0.00 H ATOM 1178 HD22 ASN A 77 7.591 -3.963 -14.814 1.00 0.00 H ATOM 1179 HD21 ASN A 77 6.301 -2.922 -15.519 1.00 0.00 H ATOM 1180 H ASN A 77 11.890 -0.539 -13.372 1.00 0.00 H ATOM 1181 N ILE A 78 9.066 0.089 -11.313 1.00 10.13 N ATOM 1182 CA ILE A 78 8.356 0.225 -10.054 1.00 10.51 C ATOM 1183 C ILE A 78 8.305 1.704 -9.662 1.00 9.40 C ATOM 1184 O ILE A 78 9.273 2.426 -9.897 1.00 9.04 O ATOM 1185 CB ILE A 78 9.042 -0.630 -8.936 1.00 11.33 C ATOM 1186 CG1 ILE A 78 8.125 -0.801 -7.722 1.00 13.83 C ATOM 1187 CG2 ILE A 78 10.441 -0.095 -8.586 1.00 11.37 C ATOM 1188 CD1 ILE A 78 8.603 -1.776 -6.705 1.00 17.27 C ATOM 1189 HA ILE A 78 7.338 -0.147 -10.171 1.00 0.00 H ATOM 1190 HB ILE A 78 9.206 -1.633 -9.329 1.00 0.00 H ATOM 1191 HG12 ILE A 78 8.021 0.170 -7.237 1.00 0.00 H ATOM 1192 HG13 ILE A 78 7.150 -1.134 -8.078 1.00 0.00 H ATOM 1193 HD11 ILE A 78 8.701 -2.760 -7.164 1.00 0.00 H ATOM 1194 HD12 ILE A 78 9.572 -1.455 -6.322 1.00 0.00 H ATOM 1195 HD13 ILE A 78 7.886 -1.826 -5.886 1.00 0.00 H ATOM 1196 HG21 ILE A 78 11.072 -0.122 -9.474 1.00 0.00 H ATOM 1197 HG22 ILE A 78 10.357 0.932 -8.230 1.00 0.00 H ATOM 1198 HG23 ILE A 78 10.882 -0.717 -7.807 1.00 0.00 H ATOM 1199 H ILE A 78 9.758 0.814 -11.590 1.00 0.00 H ATOM 1200 N PRO A 79 7.182 2.161 -9.077 1.00 9.29 N ATOM 1201 CA PRO A 79 7.225 3.528 -8.561 1.00 8.56 C ATOM 1202 C PRO A 79 8.148 3.579 -7.348 1.00 7.93 C ATOM 1203 O PRO A 79 8.155 2.655 -6.538 1.00 8.10 O ATOM 1204 CB PRO A 79 5.772 3.806 -8.165 1.00 8.97 C ATOM 1205 CG PRO A 79 5.174 2.455 -7.928 1.00 9.32 C ATOM 1206 CD PRO A 79 5.871 1.516 -8.858 1.00 9.30 C ATOM 1207 HA PRO A 79 7.604 4.260 -9.274 1.00 0.00 H ATOM 1208 HD3 PRO A 79 5.991 0.533 -8.403 1.00 0.00 H ATOM 1209 HD2 PRO A 79 5.323 1.417 -9.795 1.00 0.00 H ATOM 1210 HG3 PRO A 79 4.105 2.473 -8.141 1.00 0.00 H ATOM 1211 HG2 PRO A 79 5.332 2.149 -6.894 1.00 0.00 H ATOM 1212 HB2 PRO A 79 5.730 4.409 -7.258 1.00 0.00 H ATOM 1213 HB3 PRO A 79 5.247 4.323 -8.968 1.00 0.00 H ATOM 1214 N CYS A 80 8.929 4.646 -7.233 1.00 7.34 N ATOM 1215 CA CYS A 80 9.885 4.781 -6.133 1.00 7.11 C ATOM 1216 C CYS A 80 9.214 4.682 -4.766 1.00 7.20 C ATOM 1217 O CYS A 80 9.796 4.147 -3.824 1.00 7.38 O ATOM 1218 CB CYS A 80 10.654 6.086 -6.246 1.00 6.87 C ATOM 1219 SG CYS A 80 11.726 6.181 -7.703 1.00 6.51 S ATOM 1220 HA CYS A 80 10.582 3.947 -6.216 1.00 0.00 H ATOM 1221 HB2 CYS A 80 11.273 6.198 -5.356 1.00 0.00 H ATOM 1222 HB3 CYS A 80 9.936 6.905 -6.293 1.00 0.00 H ATOM 1223 HG CYS A 80 11.643 6.556 -9.028 1.00 0.00 H ATOM 1224 H CYS A 80 8.860 5.404 -7.941 1.00 0.00 H ATOM 1225 N SER A 81 7.982 5.171 -4.657 1.00 8.01 N ATOM 1226 CA SER A 81 7.281 5.134 -3.377 1.00 9.27 C ATOM 1227 C SER A 81 7.042 3.702 -2.874 1.00 9.91 C ATOM 1228 O SER A 81 6.951 3.471 -1.665 1.00 10.48 O ATOM 1229 CB SER A 81 5.970 5.912 -3.455 1.00 10.33 C ATOM 1230 OG SER A 81 5.093 5.313 -4.386 1.00 13.05 O ATOM 1231 HA SER A 81 7.931 5.617 -2.647 1.00 0.00 H ATOM 1232 HB2 SER A 81 6.178 6.936 -3.766 1.00 0.00 H ATOM 1233 HB3 SER A 81 5.499 5.921 -2.472 1.00 0.00 H ATOM 1234 HG SER A 81 4.250 5.830 -4.423 1.00 0.00 H ATOM 1235 H SER A 81 7.515 5.583 -5.490 1.00 0.00 H ATOM 1236 N ALA A 82 6.966 2.739 -3.790 1.00 10.55 N ATOM 1237 CA ALA A 82 6.829 1.327 -3.403 1.00 11.49 C ATOM 1238 C ALA A 82 8.085 0.793 -2.698 1.00 11.42 C ATOM 1239 O ALA A 82 8.053 -0.231 -2.002 1.00 12.27 O ATOM 1240 CB ALA A 82 6.482 0.480 -4.610 1.00 12.58 C ATOM 1241 HA ALA A 82 6.013 1.263 -2.683 1.00 0.00 H ATOM 1242 HB1 ALA A 82 5.540 0.825 -5.036 1.00 0.00 H ATOM 1243 HB2 ALA A 82 7.273 0.570 -5.355 1.00 0.00 H ATOM 1244 HB3 ALA A 82 6.384 -0.562 -4.305 1.00 0.00 H ATOM 1245 H ALA A 82 7.004 2.990 -4.799 1.00 0.00 H ATOM 1246 N LEU A 83 9.190 1.504 -2.864 1.00 10.53 N ATOM 1247 CA LEU A 83 10.426 1.128 -2.201 1.00 10.73 C ATOM 1248 C LEU A 83 10.530 1.696 -0.781 1.00 10.77 C ATOM 1249 O LEU A 83 11.553 1.530 -0.112 1.00 11.21 O ATOM 1250 CB LEU A 83 11.621 1.527 -3.060 1.00 10.19 C ATOM 1251 CG LEU A 83 11.569 0.950 -4.479 1.00 10.39 C ATOM 1252 CD1 LEU A 83 12.742 1.467 -5.276 1.00 10.87 C ATOM 1253 CD2 LEU A 83 11.524 -0.583 -4.478 1.00 11.65 C ATOM 1254 HA LEU A 83 10.426 0.044 -2.087 1.00 0.00 H ATOM 1255 HB2 LEU A 83 11.649 2.614 -3.129 1.00 0.00 H ATOM 1256 HB3 LEU A 83 12.530 1.171 -2.575 1.00 0.00 H ATOM 1257 HG LEU A 83 10.644 1.282 -4.950 1.00 0.00 H ATOM 1258 HD21 LEU A 83 12.416 -0.971 -3.986 1.00 0.00 H ATOM 1259 HD22 LEU A 83 10.636 -0.919 -3.942 1.00 0.00 H ATOM 1260 HD23 LEU A 83 11.488 -0.945 -5.506 1.00 0.00 H ATOM 1261 HD11 LEU A 83 12.696 2.555 -5.324 1.00 0.00 H ATOM 1262 HD12 LEU A 83 13.670 1.162 -4.793 1.00 0.00 H ATOM 1263 HD13 LEU A 83 12.704 1.056 -6.285 1.00 0.00 H ATOM 1264 H LEU A 83 9.172 2.343 -3.478 1.00 0.00 H ATOM 1265 N LEU A 84 9.463 2.355 -0.328 1.00 11.30 N ATOM 1266 CA LEU A 84 9.392 2.917 1.019 1.00 11.64 C ATOM 1267 C LEU A 84 8.539 2.086 1.976 1.00 12.33 C ATOM 1268 O LEU A 84 8.320 2.483 3.126 1.00 13.71 O ATOM 1269 CB LEU A 84 8.861 4.353 0.962 1.00 11.34 C ATOM 1270 CG LEU A 84 9.685 5.308 0.101 1.00 10.48 C ATOM 1271 CD1 LEU A 84 9.038 6.672 0.027 1.00 11.72 C ATOM 1272 CD2 LEU A 84 11.115 5.408 0.614 1.00 10.47 C ATOM 1273 HA LEU A 84 10.408 2.907 1.414 1.00 0.00 H ATOM 1274 HB2 LEU A 84 7.848 4.324 0.562 1.00 0.00 H ATOM 1275 HB3 LEU A 84 8.838 4.747 1.978 1.00 0.00 H ATOM 1276 HG LEU A 84 9.719 4.901 -0.910 1.00 0.00 H ATOM 1277 HD21 LEU A 84 11.107 5.779 1.639 1.00 0.00 H ATOM 1278 HD22 LEU A 84 11.579 4.422 0.587 1.00 0.00 H ATOM 1279 HD23 LEU A 84 11.679 6.094 -0.018 1.00 0.00 H ATOM 1280 HD11 LEU A 84 8.044 6.578 -0.410 1.00 0.00 H ATOM 1281 HD12 LEU A 84 8.957 7.089 1.031 1.00 0.00 H ATOM 1282 HD13 LEU A 84 9.648 7.329 -0.593 1.00 0.00 H ATOM 1283 H LEU A 84 8.646 2.474 -0.961 1.00 0.00 H ATOM 1284 N SER A 85 8.064 0.938 1.498 1.00 12.47 N ATOM 1285 CA SER A 85 7.174 0.070 2.269 1.00 12.63 C ATOM 1286 C SER A 85 7.857 -0.558 3.481 1.00 12.65 C ATOM 1287 O SER A 85 9.075 -0.723 3.503 1.00 12.44 O ATOM 1288 CB SER A 85 6.610 -1.035 1.375 1.00 12.91 C ATOM 1289 OG SER A 85 5.978 -2.038 2.150 1.00 12.67 O ATOM 1290 HA SER A 85 6.369 0.704 2.641 1.00 0.00 H ATOM 1291 HB2 SER A 85 7.424 -1.484 0.805 1.00 0.00 H ATOM 1292 HB3 SER A 85 5.882 -0.602 0.688 1.00 0.00 H ATOM 1293 HG SER A 85 5.622 -2.741 1.551 1.00 0.00 H ATOM 1294 H SER A 85 8.337 0.646 0.538 1.00 0.00 H ATOM 1295 N SER A 86 7.068 -0.915 4.489 1.00 12.88 N ATOM 1296 CA SER A 86 7.609 -1.592 5.664 1.00 13.17 C ATOM 1297 C SER A 86 8.109 -2.996 5.314 1.00 13.20 C ATOM 1298 O SER A 86 9.053 -3.498 5.931 1.00 14.01 O ATOM 1299 CB SER A 86 6.573 -1.641 6.792 1.00 13.44 C ATOM 1300 OG SER A 86 5.341 -2.172 6.341 1.00 13.28 O ATOM 1301 HA SER A 86 8.464 -1.016 6.017 1.00 0.00 H ATOM 1302 HB2 SER A 86 6.408 -0.631 7.166 1.00 0.00 H ATOM 1303 HB3 SER A 86 6.955 -2.267 7.598 1.00 0.00 H ATOM 1304 HG SER A 86 4.985 -1.604 5.612 1.00 0.00 H ATOM 1305 H SER A 86 6.050 -0.709 4.440 1.00 0.00 H ATOM 1306 N ASP A 87 7.472 -3.607 4.317 1.00 13.10 N ATOM 1307 CA ASP A 87 7.848 -4.912 3.773 1.00 13.36 C ATOM 1308 C ASP A 87 8.972 -4.643 2.762 1.00 12.23 C ATOM 1309 O ASP A 87 8.767 -3.873 1.818 1.00 12.34 O ATOM 1310 CB ASP A 87 6.605 -5.486 3.072 1.00 14.38 C ATOM 1311 CG ASP A 87 6.807 -6.884 2.508 1.00 16.23 C ATOM 1312 OD1 ASP A 87 7.901 -7.203 2.012 1.00 15.54 O ATOM 1313 OD2 ASP A 87 5.833 -7.667 2.532 1.00 19.92 O ATOM 1314 HA ASP A 87 8.188 -5.619 4.530 1.00 0.00 H ATOM 1315 HB2 ASP A 87 5.789 -5.521 3.794 1.00 0.00 H ATOM 1316 HB3 ASP A 87 6.335 -4.820 2.252 1.00 0.00 H ATOM 1317 H ASP A 87 6.652 -3.124 3.897 1.00 0.00 H ATOM 1318 N ILE A 88 10.136 -5.274 2.939 1.00 10.67 N ATOM 1319 CA ILE A 88 11.300 -4.986 2.079 1.00 10.01 C ATOM 1320 C ILE A 88 11.322 -5.714 0.729 1.00 9.11 C ATOM 1321 O ILE A 88 12.286 -5.567 -0.030 1.00 8.35 O ATOM 1322 CB ILE A 88 12.645 -5.181 2.824 1.00 9.97 C ATOM 1323 CG1 ILE A 88 12.917 -6.661 3.123 1.00 9.45 C ATOM 1324 CG2 ILE A 88 12.681 -4.321 4.083 1.00 10.87 C ATOM 1325 CD1 ILE A 88 14.339 -6.953 3.599 1.00 10.76 C ATOM 1326 HA ILE A 88 11.176 -3.931 1.836 1.00 0.00 H ATOM 1327 HB ILE A 88 13.452 -4.848 2.171 1.00 0.00 H ATOM 1328 HG12 ILE A 88 12.223 -6.987 3.898 1.00 0.00 H ATOM 1329 HG13 ILE A 88 12.737 -7.233 2.213 1.00 0.00 H ATOM 1330 HD11 ILE A 88 15.048 -6.646 2.830 1.00 0.00 H ATOM 1331 HD12 ILE A 88 14.534 -6.399 4.517 1.00 0.00 H ATOM 1332 HD13 ILE A 88 14.446 -8.021 3.787 1.00 0.00 H ATOM 1333 HG21 ILE A 88 12.574 -3.272 3.808 1.00 0.00 H ATOM 1334 HG22 ILE A 88 11.863 -4.610 4.742 1.00 0.00 H ATOM 1335 HG23 ILE A 88 13.632 -4.469 4.595 1.00 0.00 H ATOM 1336 H ILE A 88 10.223 -5.981 3.697 1.00 0.00 H ATOM 1337 N THR A 89 10.276 -6.485 0.427 1.00 9.32 N ATOM 1338 CA THR A 89 10.244 -7.296 -0.787 1.00 9.50 C ATOM 1339 C THR A 89 10.644 -6.526 -2.044 1.00 9.00 C ATOM 1340 O THR A 89 11.518 -6.969 -2.779 1.00 9.10 O ATOM 1341 CB THR A 89 8.863 -7.962 -0.989 1.00 10.03 C ATOM 1342 OG1 THR A 89 8.569 -8.796 0.138 1.00 11.37 O ATOM 1343 CG2 THR A 89 8.856 -8.816 -2.240 1.00 11.39 C ATOM 1344 HA THR A 89 10.995 -8.071 -0.636 1.00 0.00 H ATOM 1345 HB THR A 89 8.113 -7.177 -1.089 1.00 0.00 H ATOM 1346 HG1 THR A 89 8.554 -8.245 0.960 1.00 0.00 H ATOM 1347 HG23 THR A 89 9.079 -8.192 -3.106 1.00 0.00 H ATOM 1348 HG21 THR A 89 9.611 -9.597 -2.150 1.00 0.00 H ATOM 1349 HG22 THR A 89 7.873 -9.271 -2.362 1.00 0.00 H ATOM 1350 H THR A 89 9.462 -6.509 1.073 1.00 0.00 H ATOM 1351 N ALA A 90 9.994 -5.391 -2.296 1.00 8.19 N ATOM 1352 CA ALA A 90 10.238 -4.658 -3.538 1.00 8.49 C ATOM 1353 C ALA A 90 11.680 -4.143 -3.611 1.00 7.93 C ATOM 1354 O ALA A 90 12.332 -4.209 -4.661 1.00 7.96 O ATOM 1355 CB ALA A 90 9.236 -3.523 -3.692 1.00 8.97 C ATOM 1356 HA ALA A 90 10.101 -5.348 -4.370 1.00 0.00 H ATOM 1357 HB1 ALA A 90 8.226 -3.932 -3.714 1.00 0.00 H ATOM 1358 HB2 ALA A 90 9.333 -2.837 -2.850 1.00 0.00 H ATOM 1359 HB3 ALA A 90 9.433 -2.989 -4.622 1.00 0.00 H ATOM 1360 H ALA A 90 9.309 -5.024 -1.605 1.00 0.00 H ATOM 1361 N SER A 91 12.188 -3.643 -2.488 1.00 7.23 N ATOM 1362 CA SER A 91 13.572 -3.180 -2.429 1.00 6.66 C ATOM 1363 C SER A 91 14.552 -4.324 -2.658 1.00 6.78 C ATOM 1364 O SER A 91 15.567 -4.149 -3.331 1.00 6.91 O ATOM 1365 CB SER A 91 13.875 -2.483 -1.108 1.00 6.67 C ATOM 1366 OG SER A 91 13.288 -1.200 -1.073 1.00 7.00 O ATOM 1367 HA SER A 91 13.697 -2.454 -3.233 1.00 0.00 H ATOM 1368 HB2 SER A 91 14.955 -2.386 -0.994 1.00 0.00 H ATOM 1369 HB3 SER A 91 13.477 -3.081 -0.288 1.00 0.00 H ATOM 1370 HG SER A 91 12.307 -1.285 -1.172 1.00 0.00 H ATOM 1371 H SER A 91 11.591 -3.581 -1.639 1.00 0.00 H ATOM 1372 N VAL A 92 14.271 -5.494 -2.090 1.00 7.42 N ATOM 1373 CA VAL A 92 15.141 -6.645 -2.312 1.00 8.17 C ATOM 1374 C VAL A 92 15.116 -7.094 -3.772 1.00 8.33 C ATOM 1375 O VAL A 92 16.167 -7.340 -4.355 1.00 8.30 O ATOM 1376 CB VAL A 92 14.805 -7.817 -1.368 1.00 8.63 C ATOM 1377 CG1 VAL A 92 15.569 -9.084 -1.763 1.00 9.65 C ATOM 1378 CG2 VAL A 92 15.123 -7.431 0.058 1.00 9.40 C ATOM 1379 HA VAL A 92 16.155 -6.321 -2.078 1.00 0.00 H ATOM 1380 HB VAL A 92 13.740 -8.033 -1.452 1.00 0.00 H ATOM 1381 HG11 VAL A 92 15.298 -9.368 -2.780 1.00 0.00 H ATOM 1382 HG12 VAL A 92 16.641 -8.892 -1.711 1.00 0.00 H ATOM 1383 HG13 VAL A 92 15.310 -9.891 -1.078 1.00 0.00 H ATOM 1384 HG21 VAL A 92 16.183 -7.193 0.141 1.00 0.00 H ATOM 1385 HG22 VAL A 92 14.531 -6.560 0.338 1.00 0.00 H ATOM 1386 HG23 VAL A 92 14.884 -8.263 0.720 1.00 0.00 H ATOM 1387 H VAL A 92 13.429 -5.589 -1.486 1.00 0.00 H ATOM 1388 N ASN A 93 13.929 -7.197 -4.367 1.00 8.70 N ATOM 1389 CA ASN A 93 13.841 -7.577 -5.778 1.00 9.59 C ATOM 1390 C ASN A 93 14.624 -6.635 -6.681 1.00 8.90 C ATOM 1391 O ASN A 93 15.328 -7.064 -7.593 1.00 9.68 O ATOM 1392 CB ASN A 93 12.387 -7.645 -6.237 1.00 11.12 C ATOM 1393 CG ASN A 93 11.676 -8.890 -5.750 1.00 13.92 C ATOM 1394 OD1 ASN A 93 12.307 -9.904 -5.445 1.00 17.12 O ATOM 1395 ND2 ASN A 93 10.351 -8.820 -5.674 1.00 17.92 N ATOM 1396 HA ASN A 93 14.290 -8.567 -5.861 1.00 0.00 H ATOM 1397 HB2 ASN A 93 11.860 -6.771 -5.855 1.00 0.00 H ATOM 1398 HB3 ASN A 93 12.365 -7.634 -7.327 1.00 0.00 H ATOM 1399 HD22 ASN A 93 9.860 -7.943 -5.942 1.00 0.00 H ATOM 1400 HD21 ASN A 93 9.805 -9.642 -5.347 1.00 0.00 H ATOM 1401 H ASN A 93 13.061 -7.007 -3.827 1.00 0.00 H ATOM 1402 N CYS A 94 14.487 -5.339 -6.429 1.00 8.26 N ATOM 1403 CA CYS A 94 15.211 -4.354 -7.206 1.00 8.02 C ATOM 1404 C CYS A 94 16.717 -4.415 -6.913 1.00 7.47 C ATOM 1405 O CYS A 94 17.530 -4.377 -7.838 1.00 7.85 O ATOM 1406 CB CYS A 94 14.623 -2.965 -6.972 1.00 8.46 C ATOM 1407 SG CYS A 94 15.329 -1.662 -7.972 1.00 8.92 S ATOM 1408 HA CYS A 94 15.096 -4.583 -8.265 1.00 0.00 H ATOM 1409 HB2 CYS A 94 14.775 -2.706 -5.924 1.00 0.00 H ATOM 1410 HB3 CYS A 94 13.555 -3.011 -7.182 1.00 0.00 H ATOM 1411 HG CYS A 94 16.613 -1.928 -7.541 1.00 0.00 H ATOM 1412 H CYS A 94 13.853 -5.027 -5.666 1.00 0.00 H ATOM 1413 N ALA A 95 17.093 -4.531 -5.639 1.00 7.37 N ATOM 1414 CA ALA A 95 18.508 -4.644 -5.274 1.00 7.07 C ATOM 1415 C ALA A 95 19.202 -5.817 -5.973 1.00 6.77 C ATOM 1416 O ALA A 95 20.370 -5.719 -6.361 1.00 6.66 O ATOM 1417 CB ALA A 95 18.663 -4.754 -3.772 1.00 7.58 C ATOM 1418 HA ALA A 95 18.999 -3.733 -5.617 1.00 0.00 H ATOM 1419 HB1 ALA A 95 18.245 -3.865 -3.299 1.00 0.00 H ATOM 1420 HB2 ALA A 95 18.134 -5.639 -3.417 1.00 0.00 H ATOM 1421 HB3 ALA A 95 19.721 -4.837 -3.522 1.00 0.00 H ATOM 1422 H ALA A 95 16.370 -4.541 -4.892 1.00 0.00 H ATOM 1423 N LYS A 96 18.477 -6.925 -6.140 1.00 6.90 N ATOM 1424 CA LYS A 96 19.033 -8.072 -6.847 1.00 7.70 C ATOM 1425 C LYS A 96 19.379 -7.724 -8.295 1.00 7.75 C ATOM 1426 O LYS A 96 20.396 -8.177 -8.813 1.00 8.75 O ATOM 1427 CB LYS A 96 18.081 -9.268 -6.787 1.00 8.25 C ATOM 1428 CG LYS A 96 18.053 -9.941 -5.422 1.00 8.30 C ATOM 1429 CD LYS A 96 17.053 -11.086 -5.377 1.00 9.65 C ATOM 1430 CE LYS A 96 17.057 -11.777 -4.020 1.00 10.67 C ATOM 1431 NZ LYS A 96 16.031 -12.849 -3.961 1.00 11.50 N ATOM 1432 HA LYS A 96 19.959 -8.349 -6.343 1.00 0.00 H ATOM 1433 HB2 LYS A 96 17.075 -8.923 -7.025 1.00 0.00 H ATOM 1434 HB3 LYS A 96 18.397 -10.001 -7.529 1.00 0.00 H ATOM 1435 HG2 LYS A 96 19.046 -10.331 -5.200 1.00 0.00 H ATOM 1436 HG3 LYS A 96 17.778 -9.202 -4.670 1.00 0.00 H ATOM 1437 HD2 LYS A 96 16.055 -10.693 -5.572 1.00 0.00 H ATOM 1438 HD3 LYS A 96 17.312 -11.814 -6.146 1.00 0.00 H ATOM 1439 HE2 LYS A 96 16.847 -11.040 -3.245 1.00 0.00 H ATOM 1440 HE3 LYS A 96 18.040 -12.215 -3.846 1.00 0.00 H ATOM 1441 HZ1 LYS A 96 15.090 -12.436 -4.121 1.00 0.00 H ATOM 1442 HZ2 LYS A 96 16.229 -13.558 -4.696 1.00 0.00 H ATOM 1443 HZ3 LYS A 96 16.058 -13.301 -3.025 1.00 0.00 H ATOM 1444 H LYS A 96 17.509 -6.970 -5.763 1.00 0.00 H ATOM 1445 N LYS A 97 18.535 -6.928 -8.941 1.00 8.14 N ATOM 1446 CA LYS A 97 18.828 -6.441 -10.286 1.00 8.58 C ATOM 1447 C LYS A 97 20.034 -5.505 -10.284 1.00 7.85 C ATOM 1448 O LYS A 97 20.917 -5.615 -11.127 1.00 8.41 O ATOM 1449 CB LYS A 97 17.602 -5.730 -10.854 1.00 9.31 C ATOM 1450 CG LYS A 97 16.401 -6.644 -11.067 1.00 12.44 C ATOM 1451 CD LYS A 97 15.158 -5.851 -11.451 1.00 15.78 C ATOM 1452 CE LYS A 97 13.952 -6.749 -11.707 1.00 18.42 C ATOM 1453 NZ LYS A 97 14.092 -7.504 -12.982 1.00 21.03 N ATOM 1454 HA LYS A 97 19.073 -7.295 -10.917 1.00 0.00 H ATOM 1455 HB2 LYS A 97 17.313 -4.939 -10.162 1.00 0.00 H ATOM 1456 HB3 LYS A 97 17.874 -5.291 -11.814 1.00 0.00 H ATOM 1457 HG2 LYS A 97 16.631 -7.351 -11.864 1.00 0.00 H ATOM 1458 HG3 LYS A 97 16.203 -7.190 -10.145 1.00 0.00 H ATOM 1459 HD2 LYS A 97 14.917 -5.163 -10.641 1.00 0.00 H ATOM 1460 HD3 LYS A 97 15.371 -5.283 -12.357 1.00 0.00 H ATOM 1461 HE2 LYS A 97 13.055 -6.132 -11.758 1.00 0.00 H ATOM 1462 HE3 LYS A 97 13.857 -7.458 -10.884 1.00 0.00 H ATOM 1463 HZ1 LYS A 97 14.177 -6.834 -13.773 1.00 0.00 H ATOM 1464 HZ2 LYS A 97 14.943 -8.100 -12.939 1.00 0.00 H ATOM 1465 HZ3 LYS A 97 13.254 -8.103 -13.122 1.00 0.00 H ATOM 1466 H LYS A 97 17.647 -6.646 -8.479 1.00 0.00 H ATOM 1467 N ILE A 98 20.068 -4.586 -9.320 1.00 7.39 N ATOM 1468 CA ILE A 98 21.134 -3.587 -9.246 1.00 6.99 C ATOM 1469 C ILE A 98 22.494 -4.262 -9.115 1.00 6.78 C ATOM 1470 O ILE A 98 23.433 -3.954 -9.852 1.00 7.31 O ATOM 1471 CB ILE A 98 20.906 -2.617 -8.073 1.00 6.89 C ATOM 1472 CG1 ILE A 98 19.596 -1.843 -8.265 1.00 7.01 C ATOM 1473 CG2 ILE A 98 22.078 -1.678 -7.934 1.00 7.22 C ATOM 1474 CD1 ILE A 98 19.180 -0.975 -7.091 1.00 7.67 C ATOM 1475 HA ILE A 98 21.116 -3.012 -10.172 1.00 0.00 H ATOM 1476 HB ILE A 98 20.824 -3.193 -7.151 1.00 0.00 H ATOM 1477 HG12 ILE A 98 19.709 -1.199 -9.137 1.00 0.00 H ATOM 1478 HG13 ILE A 98 18.801 -2.566 -8.449 1.00 0.00 H ATOM 1479 HD11 ILE A 98 19.045 -1.600 -6.208 1.00 0.00 H ATOM 1480 HD12 ILE A 98 19.954 -0.233 -6.897 1.00 0.00 H ATOM 1481 HD13 ILE A 98 18.243 -0.471 -7.327 1.00 0.00 H ATOM 1482 HG21 ILE A 98 22.984 -2.255 -7.748 1.00 0.00 H ATOM 1483 HG22 ILE A 98 22.193 -1.104 -8.854 1.00 0.00 H ATOM 1484 HG23 ILE A 98 21.901 -0.999 -7.100 1.00 0.00 H ATOM 1485 H ILE A 98 19.317 -4.579 -8.601 1.00 0.00 H ATOM 1486 N VAL A 99 22.600 -5.193 -8.175 1.00 7.01 N ATOM 1487 CA VAL A 99 23.883 -5.823 -7.859 1.00 7.32 C ATOM 1488 C VAL A 99 24.336 -6.769 -8.975 1.00 8.28 C ATOM 1489 O VAL A 99 25.496 -7.162 -9.030 1.00 8.97 O ATOM 1490 CB VAL A 99 23.817 -6.556 -6.496 1.00 6.98 C ATOM 1491 CG1 VAL A 99 23.004 -7.848 -6.581 1.00 8.07 C ATOM 1492 CG2 VAL A 99 25.202 -6.826 -5.938 1.00 6.76 C ATOM 1493 HA VAL A 99 24.629 -5.032 -7.782 1.00 0.00 H ATOM 1494 HB VAL A 99 23.302 -5.888 -5.806 1.00 0.00 H ATOM 1495 HG11 VAL A 99 21.986 -7.615 -6.893 1.00 0.00 H ATOM 1496 HG12 VAL A 99 23.464 -8.518 -7.307 1.00 0.00 H ATOM 1497 HG13 VAL A 99 22.984 -8.328 -5.603 1.00 0.00 H ATOM 1498 HG21 VAL A 99 25.759 -7.449 -6.637 1.00 0.00 H ATOM 1499 HG22 VAL A 99 25.726 -5.881 -5.795 1.00 0.00 H ATOM 1500 HG23 VAL A 99 25.113 -7.341 -4.982 1.00 0.00 H ATOM 1501 H VAL A 99 21.750 -5.482 -7.650 1.00 0.00 H ATOM 1502 N SER A 100 23.408 -7.114 -9.866 1.00 8.90 N ATOM 1503 CA SER A 100 23.683 -7.984 -11.004 1.00 9.94 C ATOM 1504 C SER A 100 24.042 -7.211 -12.271 1.00 10.50 C ATOM 1505 O SER A 100 24.331 -7.820 -13.295 1.00 11.15 O ATOM 1506 CB SER A 100 22.471 -8.879 -11.285 1.00 10.49 C ATOM 1507 OG SER A 100 22.153 -9.687 -10.168 1.00 11.44 O ATOM 1508 HA SER A 100 24.549 -8.588 -10.733 1.00 0.00 H ATOM 1509 HB2 SER A 100 22.695 -9.523 -12.136 1.00 0.00 H ATOM 1510 HB3 SER A 100 21.613 -8.250 -11.523 1.00 0.00 H ATOM 1511 HG SER A 100 21.943 -9.108 -9.393 1.00 0.00 H ATOM 1512 H SER A 100 22.443 -6.746 -9.745 1.00 0.00 H ATOM 1513 N ASP A 101 24.040 -5.882 -12.211 1.00 10.64 N ATOM 1514 CA ASP A 101 24.155 -5.057 -13.422 1.00 11.27 C ATOM 1515 C ASP A 101 25.588 -4.816 -13.912 1.00 11.70 C ATOM 1516 O ASP A 101 25.771 -4.181 -14.948 1.00 12.79 O ATOM 1517 CB ASP A 101 23.396 -3.728 -13.239 1.00 11.76 C ATOM 1518 CG ASP A 101 23.077 -3.031 -14.564 1.00 13.39 C ATOM 1519 OD1 ASP A 101 23.264 -1.799 -14.658 1.00 15.82 O ATOM 1520 OD2 ASP A 101 22.635 -3.709 -15.509 1.00 16.25 O ATOM 1521 HA ASP A 101 23.691 -5.641 -14.217 1.00 0.00 H ATOM 1522 HB2 ASP A 101 22.460 -3.932 -12.720 1.00 0.00 H ATOM 1523 HB3 ASP A 101 24.008 -3.059 -12.633 1.00 0.00 H ATOM 1524 H ASP A 101 23.955 -5.416 -11.285 1.00 0.00 H ATOM 1525 N GLY A 102 26.592 -5.313 -13.183 1.00 11.20 N ATOM 1526 CA GLY A 102 27.992 -5.212 -13.624 1.00 10.87 C ATOM 1527 C GLY A 102 28.996 -4.831 -12.549 1.00 10.71 C ATOM 1528 O GLY A 102 30.102 -5.382 -12.501 1.00 11.55 O ATOM 1529 HA3 GLY A 102 28.042 -4.460 -14.411 1.00 0.00 H ATOM 1530 HA2 GLY A 102 28.286 -6.180 -14.029 1.00 0.00 H ATOM 1531 H GLY A 102 26.378 -5.783 -12.280 1.00 0.00 H ATOM 1532 N ASN A 103 28.603 -3.890 -11.685 1.00 10.24 N ATOM 1533 CA ASN A 103 29.507 -3.290 -10.702 1.00 9.40 C ATOM 1534 C ASN A 103 29.337 -3.865 -9.304 1.00 7.70 C ATOM 1535 O ASN A 103 29.921 -3.371 -8.335 1.00 7.48 O ATOM 1536 CB ASN A 103 29.303 -1.774 -10.652 1.00 10.93 C ATOM 1537 CG ASN A 103 29.780 -1.085 -11.906 1.00 14.06 C ATOM 1538 OD1 ASN A 103 30.845 -1.396 -12.431 1.00 17.67 O ATOM 1539 ND2 ASN A 103 28.990 -0.144 -12.399 1.00 16.72 N ATOM 1540 HA ASN A 103 30.519 -3.528 -11.031 1.00 0.00 H ATOM 1541 HB2 ASN A 103 28.241 -1.568 -10.522 1.00 0.00 H ATOM 1542 HB3 ASN A 103 29.856 -1.375 -9.802 1.00 0.00 H ATOM 1543 HD22 ASN A 103 28.096 0.087 -11.921 1.00 0.00 H ATOM 1544 HD21 ASN A 103 29.264 0.364 -13.264 1.00 0.00 H ATOM 1545 H ASN A 103 27.614 -3.571 -11.712 1.00 0.00 H ATOM 1546 N GLY A 104 28.527 -4.907 -9.187 1.00 6.64 N ATOM 1547 CA GLY A 104 28.291 -5.513 -7.882 1.00 6.29 C ATOM 1548 C GLY A 104 27.775 -4.487 -6.892 1.00 5.37 C ATOM 1549 O GLY A 104 26.970 -3.619 -7.249 1.00 6.07 O ATOM 1550 HA3 GLY A 104 29.226 -5.931 -7.508 1.00 0.00 H ATOM 1551 HA2 GLY A 104 27.555 -6.310 -7.987 1.00 0.00 H ATOM 1552 H GLY A 104 28.057 -5.295 -10.030 1.00 0.00 H ATOM 1553 N MET A 105 28.235 -4.572 -5.645 1.00 4.82 N ATOM 1554 CA MET A 105 27.723 -3.679 -4.612 1.00 4.71 C ATOM 1555 C MET A 105 28.330 -2.284 -4.668 1.00 4.26 C ATOM 1556 O MET A 105 27.911 -1.417 -3.901 1.00 4.64 O ATOM 1557 CB MET A 105 27.838 -4.273 -3.210 1.00 4.96 C ATOM 1558 CG MET A 105 26.819 -5.376 -2.943 1.00 4.85 C ATOM 1559 SD MET A 105 26.652 -5.814 -1.198 1.00 5.29 S ATOM 1560 CE MET A 105 25.716 -4.407 -0.592 1.00 6.18 C ATOM 1561 HA MET A 105 26.662 -3.570 -4.835 1.00 0.00 H ATOM 1562 HB2 MET A 105 28.839 -4.688 -3.090 1.00 0.00 H ATOM 1563 HB3 MET A 105 27.686 -3.476 -2.482 1.00 0.00 H ATOM 1564 HG2 MET A 105 27.125 -6.266 -3.493 1.00 0.00 H ATOM 1565 HG3 MET A 105 25.848 -5.041 -3.307 1.00 0.00 H ATOM 1566 HE1 MET A 105 26.285 -3.493 -0.762 1.00 0.00 H ATOM 1567 HE2 MET A 105 24.766 -4.349 -1.122 1.00 0.00 H ATOM 1568 HE3 MET A 105 25.531 -4.528 0.475 1.00 0.00 H ATOM 1569 H MET A 105 28.961 -5.277 -5.407 1.00 0.00 H ATOM 1570 N ASN A 106 29.279 -2.051 -5.581 1.00 5.04 N ATOM 1571 CA ASN A 106 29.798 -0.697 -5.771 1.00 5.27 C ATOM 1572 C ASN A 106 28.720 0.304 -6.169 1.00 5.60 C ATOM 1573 O ASN A 106 28.931 1.505 -6.044 1.00 6.29 O ATOM 1574 CB ASN A 106 30.954 -0.665 -6.764 1.00 5.91 C ATOM 1575 CG ASN A 106 32.140 -1.464 -6.288 1.00 5.76 C ATOM 1576 OD1 ASN A 106 32.808 -1.095 -5.317 1.00 6.35 O ATOM 1577 ND2 ASN A 106 32.408 -2.577 -6.970 1.00 7.06 N ATOM 1578 HA ASN A 106 30.176 -0.388 -4.797 1.00 0.00 H ATOM 1579 HB2 ASN A 106 30.612 -1.077 -7.714 1.00 0.00 H ATOM 1580 HB3 ASN A 106 31.264 0.370 -6.909 1.00 0.00 H ATOM 1581 HD22 ASN A 106 31.815 -2.845 -7.781 1.00 0.00 H ATOM 1582 HD21 ASN A 106 33.210 -3.177 -6.691 1.00 0.00 H ATOM 1583 H ASN A 106 29.649 -2.834 -6.157 1.00 0.00 H ATOM 1584 N ALA A 107 27.564 -0.185 -6.607 1.00 5.80 N ATOM 1585 CA ALA A 107 26.407 0.667 -6.878 1.00 5.96 C ATOM 1586 C ALA A 107 25.982 1.463 -5.641 1.00 5.77 C ATOM 1587 O ALA A 107 25.422 2.556 -5.759 1.00 6.72 O ATOM 1588 CB ALA A 107 25.253 -0.181 -7.368 1.00 7.24 C ATOM 1589 HA ALA A 107 26.693 1.384 -7.648 1.00 0.00 H ATOM 1590 HB1 ALA A 107 25.545 -0.696 -8.283 1.00 0.00 H ATOM 1591 HB2 ALA A 107 24.992 -0.914 -6.604 1.00 0.00 H ATOM 1592 HB3 ALA A 107 24.393 0.458 -7.569 1.00 0.00 H ATOM 1593 H ALA A 107 27.480 -1.210 -6.762 1.00 0.00 H ATOM 1594 N TRP A 108 26.223 0.901 -4.459 1.00 5.11 N ATOM 1595 CA TRP A 108 25.880 1.569 -3.205 1.00 4.99 C ATOM 1596 C TRP A 108 27.085 2.334 -2.707 1.00 4.91 C ATOM 1597 O TRP A 108 28.061 1.747 -2.225 1.00 5.23 O ATOM 1598 CB TRP A 108 25.387 0.570 -2.157 1.00 4.82 C ATOM 1599 CG TRP A 108 24.017 0.067 -2.439 1.00 4.80 C ATOM 1600 CD1 TRP A 108 22.852 0.641 -2.036 1.00 4.68 C ATOM 1601 CD2 TRP A 108 23.650 -1.098 -3.197 1.00 4.55 C ATOM 1602 NE1 TRP A 108 21.784 -0.086 -2.493 1.00 5.24 N ATOM 1603 CE2 TRP A 108 22.244 -1.161 -3.206 1.00 4.93 C ATOM 1604 CE3 TRP A 108 24.376 -2.094 -3.865 1.00 5.05 C ATOM 1605 CZ2 TRP A 108 21.545 -2.177 -3.857 1.00 5.59 C ATOM 1606 CZ3 TRP A 108 23.685 -3.095 -4.513 1.00 5.27 C ATOM 1607 CH2 TRP A 108 22.285 -3.130 -4.510 1.00 5.09 C ATOM 1608 HA TRP A 108 25.062 2.266 -3.386 1.00 0.00 H ATOM 1609 HB2 TRP A 108 26.072 -0.278 -2.135 1.00 0.00 H ATOM 1610 HB3 TRP A 108 25.385 1.059 -1.183 1.00 0.00 H ATOM 1611 HE1 TRP A 108 20.783 0.142 -2.325 1.00 0.00 H ATOM 1612 HD1 TRP A 108 22.778 1.548 -1.436 1.00 0.00 H ATOM 1613 HZ2 TRP A 108 20.456 -2.213 -3.847 1.00 0.00 H ATOM 1614 HH2 TRP A 108 21.771 -3.933 -5.039 1.00 0.00 H ATOM 1615 HZ3 TRP A 108 24.238 -3.874 -5.038 1.00 0.00 H ATOM 1616 HE3 TRP A 108 25.466 -2.077 -3.872 1.00 0.00 H ATOM 1617 H TRP A 108 26.667 -0.039 -4.427 1.00 0.00 H ATOM 1618 N VAL A 109 27.023 3.655 -2.836 1.00 4.94 N ATOM 1619 CA VAL A 109 28.145 4.509 -2.483 1.00 5.89 C ATOM 1620 C VAL A 109 28.545 4.342 -1.016 1.00 5.16 C ATOM 1621 O VAL A 109 29.736 4.263 -0.704 1.00 5.54 O ATOM 1622 CB VAL A 109 27.841 5.984 -2.812 1.00 7.17 C ATOM 1623 CG1 VAL A 109 28.920 6.901 -2.241 1.00 9.00 C ATOM 1624 CG2 VAL A 109 27.701 6.161 -4.315 1.00 8.71 C ATOM 1625 HA VAL A 109 28.996 4.196 -3.088 1.00 0.00 H ATOM 1626 HB VAL A 109 26.897 6.263 -2.345 1.00 0.00 H ATOM 1627 HG11 VAL A 109 28.960 6.783 -1.158 1.00 0.00 H ATOM 1628 HG12 VAL A 109 29.885 6.636 -2.672 1.00 0.00 H ATOM 1629 HG13 VAL A 109 28.683 7.936 -2.487 1.00 0.00 H ATOM 1630 HG21 VAL A 109 28.631 5.868 -4.802 1.00 0.00 H ATOM 1631 HG22 VAL A 109 26.886 5.536 -4.679 1.00 0.00 H ATOM 1632 HG23 VAL A 109 27.486 7.206 -4.538 1.00 0.00 H ATOM 1633 H VAL A 109 26.150 4.089 -3.199 1.00 0.00 H ATOM 1634 N ALA A 110 27.567 4.274 -0.115 1.00 5.41 N ATOM 1635 CA ALA A 110 27.897 4.114 1.291 1.00 5.68 C ATOM 1636 C ALA A 110 28.529 2.751 1.553 1.00 5.19 C ATOM 1637 O ALA A 110 29.400 2.627 2.417 1.00 5.57 O ATOM 1638 CB ALA A 110 26.682 4.336 2.177 1.00 6.12 C ATOM 1639 HA ALA A 110 28.631 4.878 1.546 1.00 0.00 H ATOM 1640 HB1 ALA A 110 26.302 5.346 2.024 1.00 0.00 H ATOM 1641 HB2 ALA A 110 25.909 3.612 1.919 1.00 0.00 H ATOM 1642 HB3 ALA A 110 26.967 4.208 3.221 1.00 0.00 H ATOM 1643 H ALA A 110 26.573 4.335 -0.416 1.00 0.00 H ATOM 1644 N TRP A 111 28.094 1.720 0.826 1.00 5.25 N ATOM 1645 CA TRP A 111 28.762 0.427 0.933 1.00 5.02 C ATOM 1646 C TRP A 111 30.229 0.534 0.512 1.00 4.98 C ATOM 1647 O TRP A 111 31.119 0.068 1.216 1.00 4.71 O ATOM 1648 CB TRP A 111 28.025 -0.663 0.133 1.00 5.40 C ATOM 1649 CG TRP A 111 28.745 -1.999 0.186 1.00 4.94 C ATOM 1650 CD1 TRP A 111 28.612 -2.965 1.146 1.00 4.83 C ATOM 1651 CD2 TRP A 111 29.743 -2.475 -0.724 1.00 5.28 C ATOM 1652 NE1 TRP A 111 29.452 -4.015 0.878 1.00 4.78 N ATOM 1653 CE2 TRP A 111 30.164 -3.738 -0.260 1.00 4.82 C ATOM 1654 CE3 TRP A 111 30.299 -1.971 -1.913 1.00 5.64 C ATOM 1655 CZ2 TRP A 111 31.115 -4.505 -0.940 1.00 5.26 C ATOM 1656 CZ3 TRP A 111 31.243 -2.722 -2.584 1.00 6.06 C ATOM 1657 CH2 TRP A 111 31.647 -3.981 -2.096 1.00 5.79 C ATOM 1658 HA TRP A 111 28.735 0.127 1.981 1.00 0.00 H ATOM 1659 HB2 TRP A 111 27.024 -0.787 0.547 1.00 0.00 H ATOM 1660 HB3 TRP A 111 27.950 -0.345 -0.907 1.00 0.00 H ATOM 1661 HE1 TRP A 111 29.535 -4.882 1.447 1.00 0.00 H ATOM 1662 HD1 TRP A 111 27.937 -2.908 2.000 1.00 0.00 H ATOM 1663 HZ2 TRP A 111 31.424 -5.482 -0.568 1.00 0.00 H ATOM 1664 HH2 TRP A 111 32.396 -4.551 -2.645 1.00 0.00 H ATOM 1665 HZ3 TRP A 111 31.682 -2.336 -3.504 1.00 0.00 H ATOM 1666 HE3 TRP A 111 29.989 -1.000 -2.300 1.00 0.00 H ATOM 1667 H TRP A 111 27.283 1.837 0.186 1.00 0.00 H ATOM 1668 N ARG A 112 30.464 1.166 -0.631 1.00 5.36 N ATOM 1669 CA ARG A 112 31.804 1.305 -1.173 1.00 6.23 C ATOM 1670 C ARG A 112 32.734 2.033 -0.200 1.00 6.12 C ATOM 1671 O ARG A 112 33.887 1.639 -0.018 1.00 6.51 O ATOM 1672 CB ARG A 112 31.731 2.050 -2.505 1.00 6.98 C ATOM 1673 CG ARG A 112 32.917 1.824 -3.413 1.00 8.72 C ATOM 1674 CD ARG A 112 32.629 2.400 -4.790 1.00 11.12 C ATOM 1675 NE ARG A 112 32.485 3.856 -4.751 1.00 12.88 N ATOM 1676 CZ ARG A 112 31.413 4.532 -5.158 1.00 12.84 C ATOM 1677 NH1 ARG A 112 30.360 3.897 -5.658 1.00 11.35 N ATOM 1678 NH2 ARG A 112 31.399 5.857 -5.074 1.00 13.51 N ATOM 1679 HA ARG A 112 32.220 0.310 -1.331 1.00 0.00 H ATOM 1680 HB2 ARG A 112 30.833 1.724 -3.029 1.00 0.00 H ATOM 1681 HB3 ARG A 112 31.660 3.117 -2.295 1.00 0.00 H ATOM 1682 HG2 ARG A 112 33.794 2.315 -2.992 1.00 0.00 H ATOM 1683 HG3 ARG A 112 33.107 0.754 -3.501 1.00 0.00 H ATOM 1684 HD2 ARG A 112 31.705 1.964 -5.169 1.00 0.00 H ATOM 1685 HD3 ARG A 112 33.451 2.144 -5.459 1.00 0.00 H ATOM 1686 HE ARG A 112 33.284 4.406 -4.375 1.00 0.00 H ATOM 1687 HH12 ARG A 112 29.528 4.437 -5.973 1.00 0.00 H ATOM 1688 HH11 ARG A 112 30.367 2.860 -5.735 1.00 0.00 H ATOM 1689 HH22 ARG A 112 30.564 6.389 -5.391 1.00 0.00 H ATOM 1690 HH21 ARG A 112 32.223 6.363 -4.691 1.00 0.00 H ATOM 1691 H ARG A 112 29.664 1.574 -1.155 1.00 0.00 H ATOM 1692 N ASN A 113 32.219 3.083 0.434 1.00 5.81 N ATOM 1693 CA ASN A 113 33.008 3.933 1.305 1.00 5.93 C ATOM 1694 C ASN A 113 33.120 3.483 2.748 1.00 6.08 C ATOM 1695 O ASN A 113 34.070 3.872 3.434 1.00 6.78 O ATOM 1696 CB ASN A 113 32.506 5.372 1.236 1.00 6.16 C ATOM 1697 CG ASN A 113 32.836 6.026 -0.085 1.00 6.61 C ATOM 1698 OD1 ASN A 113 33.851 5.703 -0.699 1.00 8.96 O ATOM 1699 ND2 ASN A 113 31.996 6.948 -0.528 1.00 7.01 N ATOM 1700 HA ASN A 113 34.023 3.856 0.916 1.00 0.00 H ATOM 1701 HB2 ASN A 113 31.424 5.374 1.369 1.00 0.00 H ATOM 1702 HB3 ASN A 113 32.970 5.945 2.038 1.00 0.00 H ATOM 1703 HD22 ASN A 113 31.149 7.189 0.026 1.00 0.00 H ATOM 1704 HD21 ASN A 113 32.183 7.431 -1.430 1.00 0.00 H ATOM 1705 H ASN A 113 31.211 3.303 0.300 1.00 0.00 H ATOM 1706 N ARG A 114 32.170 2.670 3.207 1.00 5.88 N ATOM 1707 CA ARG A 114 32.090 2.361 4.632 1.00 6.37 C ATOM 1708 C ARG A 114 32.021 0.878 4.973 1.00 5.93 C ATOM 1709 O ARG A 114 32.227 0.509 6.128 1.00 6.96 O ATOM 1710 CB ARG A 114 30.913 3.110 5.266 1.00 5.89 C ATOM 1711 CG ARG A 114 30.958 4.604 4.981 1.00 6.21 C ATOM 1712 CD ARG A 114 29.792 5.358 5.531 1.00 6.11 C ATOM 1713 NE ARG A 114 29.861 5.488 6.980 1.00 6.05 N ATOM 1714 CZ ARG A 114 28.979 6.185 7.690 1.00 6.00 C ATOM 1715 NH1 ARG A 114 27.971 6.802 7.082 1.00 7.13 N ATOM 1716 NH2 ARG A 114 29.108 6.276 9.002 1.00 7.13 N ATOM 1717 HA ARG A 114 33.036 2.702 5.054 1.00 0.00 H ATOM 1718 HB2 ARG A 114 29.983 2.705 4.867 1.00 0.00 H ATOM 1719 HB3 ARG A 114 30.941 2.958 6.345 1.00 0.00 H ATOM 1720 HG2 ARG A 114 31.869 5.011 5.420 1.00 0.00 H ATOM 1721 HG3 ARG A 114 30.982 4.748 3.901 1.00 0.00 H ATOM 1722 HD2 ARG A 114 28.875 4.830 5.268 1.00 0.00 H ATOM 1723 HD3 ARG A 114 29.776 6.354 5.088 1.00 0.00 H ATOM 1724 HE ARG A 114 30.637 5.013 7.483 1.00 0.00 H ATOM 1725 HH12 ARG A 114 27.282 7.347 7.640 1.00 0.00 H ATOM 1726 HH11 ARG A 114 27.871 6.740 6.049 1.00 0.00 H ATOM 1727 HH22 ARG A 114 28.417 6.822 9.556 1.00 0.00 H ATOM 1728 HH21 ARG A 114 29.900 5.802 9.481 1.00 0.00 H ATOM 1729 H ARG A 114 31.482 2.253 2.548 1.00 0.00 H ATOM 1730 N CYS A 115 31.735 0.031 3.988 1.00 5.30 N ATOM 1731 CA CYS A 115 31.578 -1.404 4.245 1.00 4.93 C ATOM 1732 C CYS A 115 32.599 -2.247 3.508 1.00 5.01 C ATOM 1733 O CYS A 115 33.137 -3.211 4.056 1.00 5.49 O ATOM 1734 CB CYS A 115 30.192 -1.871 3.814 1.00 5.12 C ATOM 1735 SG CYS A 115 28.835 -1.024 4.635 1.00 5.26 S ATOM 1736 HA CYS A 115 31.724 -1.536 5.317 1.00 0.00 H ATOM 1737 HB2 CYS A 115 30.109 -2.936 4.028 1.00 0.00 H ATOM 1738 HB3 CYS A 115 30.096 -1.709 2.740 1.00 0.00 H ATOM 1739 HG CYS A 115 27.577 -0.547 4.327 1.00 0.00 H ATOM 1740 H CYS A 115 31.621 0.393 3.020 1.00 0.00 H ATOM 1741 N LYS A 116 32.849 -1.895 2.250 1.00 5.37 N ATOM 1742 CA LYS A 116 33.727 -2.670 1.392 1.00 6.44 C ATOM 1743 C LYS A 116 35.086 -2.838 2.043 1.00 7.13 C ATOM 1744 O LYS A 116 35.720 -1.867 2.465 1.00 7.66 O ATOM 1745 CB LYS A 116 33.877 -1.954 0.061 1.00 5.80 C ATOM 1746 CG LYS A 116 34.714 -2.684 -0.972 1.00 6.24 C ATOM 1747 CD LYS A 116 34.761 -1.905 -2.288 1.00 6.34 C ATOM 1748 CE LYS A 116 35.460 -2.703 -3.369 1.00 7.14 C ATOM 1749 NZ LYS A 116 35.507 -1.955 -4.657 1.00 7.86 N ATOM 1750 HA LYS A 116 33.296 -3.658 1.233 1.00 0.00 H ATOM 1751 HB2 LYS A 116 32.881 -1.804 -0.356 1.00 0.00 H ATOM 1752 HB3 LYS A 116 34.341 -0.986 0.249 1.00 0.00 H ATOM 1753 HG2 LYS A 116 35.728 -2.802 -0.591 1.00 0.00 H ATOM 1754 HG3 LYS A 116 34.279 -3.667 -1.154 1.00 0.00 H ATOM 1755 HD2 LYS A 116 33.743 -1.686 -2.609 1.00 0.00 H ATOM 1756 HD3 LYS A 116 35.300 -0.971 -2.130 1.00 0.00 H ATOM 1757 HE2 LYS A 116 34.923 -3.639 -3.522 1.00 0.00 H ATOM 1758 HE3 LYS A 116 36.479 -2.919 -3.047 1.00 0.00 H ATOM 1759 HZ1 LYS A 116 34.538 -1.750 -4.973 1.00 0.00 H ATOM 1760 HZ2 LYS A 116 36.024 -1.063 -4.520 1.00 0.00 H ATOM 1761 HZ3 LYS A 116 35.992 -2.531 -5.374 1.00 0.00 H ATOM 1762 H LYS A 116 32.401 -1.037 1.869 1.00 0.00 H ATOM 1763 N GLY A 117 35.518 -4.090 2.136 1.00 8.53 N ATOM 1764 CA GLY A 117 36.812 -4.418 2.713 1.00 10.39 C ATOM 1765 C GLY A 117 36.893 -4.438 4.226 1.00 10.81 C ATOM 1766 O GLY A 117 37.944 -4.761 4.774 1.00 12.55 O ATOM 1767 HA3 GLY A 117 37.531 -3.683 2.352 1.00 0.00 H ATOM 1768 HA2 GLY A 117 37.094 -5.407 2.353 1.00 0.00 H ATOM 1769 H GLY A 117 34.913 -4.860 1.786 1.00 0.00 H ATOM 1770 N THR A 118 35.797 -4.103 4.906 1.00 9.69 N ATOM 1771 CA THR A 118 35.757 -4.092 6.372 1.00 9.74 C ATOM 1772 C THR A 118 35.240 -5.430 6.910 1.00 9.55 C ATOM 1773 O THR A 118 34.822 -6.303 6.151 1.00 9.54 O ATOM 1774 CB THR A 118 34.860 -2.955 6.940 1.00 9.75 C ATOM 1775 OG1 THR A 118 33.483 -3.272 6.704 1.00 8.37 O ATOM 1776 CG2 THR A 118 35.198 -1.599 6.319 1.00 10.13 C ATOM 1777 HA THR A 118 36.782 -3.919 6.699 1.00 0.00 H ATOM 1778 HB THR A 118 35.047 -2.880 8.011 1.00 0.00 H ATOM 1779 HG1 THR A 118 33.328 -3.361 5.730 1.00 0.00 H ATOM 1780 HG23 THR A 118 36.247 -1.367 6.504 1.00 0.00 H ATOM 1781 HG21 THR A 118 35.017 -1.638 5.245 1.00 0.00 H ATOM 1782 HG22 THR A 118 34.570 -0.829 6.767 1.00 0.00 H ATOM 1783 H THR A 118 34.940 -3.840 4.379 1.00 0.00 H ATOM 1784 N ASP A 119 35.249 -5.574 8.234 1.00 10.70 N ATOM 1785 CA ASP A 119 34.741 -6.784 8.887 1.00 11.71 C ATOM 1786 C ASP A 119 33.212 -6.793 8.927 1.00 11.51 C ATOM 1787 O ASP A 119 32.590 -6.611 9.981 1.00 12.49 O ATOM 1788 CB ASP A 119 35.330 -6.919 10.297 1.00 12.90 C ATOM 1789 CG ASP A 119 34.879 -8.190 11.014 1.00 15.87 C ATOM 1790 OD1 ASP A 119 34.550 -9.195 10.346 1.00 18.38 O ATOM 1791 OD2 ASP A 119 34.877 -8.182 12.266 1.00 19.23 O ATOM 1792 HA ASP A 119 35.058 -7.645 8.299 1.00 0.00 H ATOM 1793 HB2 ASP A 119 36.417 -6.931 10.220 1.00 0.00 H ATOM 1794 HB3 ASP A 119 35.018 -6.058 10.888 1.00 0.00 H ATOM 1795 H ASP A 119 35.628 -4.805 8.822 1.00 0.00 H ATOM 1796 N VAL A 120 32.600 -7.043 7.777 1.00 10.70 N ATOM 1797 CA VAL A 120 31.144 -6.924 7.659 1.00 10.18 C ATOM 1798 C VAL A 120 30.376 -7.980 8.443 1.00 10.19 C ATOM 1799 O VAL A 120 29.211 -7.775 8.770 1.00 9.77 O ATOM 1800 CB VAL A 120 30.662 -6.903 6.194 1.00 10.06 C ATOM 1801 CG1 VAL A 120 31.180 -5.662 5.478 1.00 9.92 C ATOM 1802 CG2 VAL A 120 31.081 -8.164 5.462 1.00 10.76 C ATOM 1803 HA VAL A 120 30.920 -5.957 8.109 1.00 0.00 H ATOM 1804 HB VAL A 120 29.573 -6.868 6.197 1.00 0.00 H ATOM 1805 HG11 VAL A 120 30.811 -4.771 5.985 1.00 0.00 H ATOM 1806 HG12 VAL A 120 32.270 -5.664 5.492 1.00 0.00 H ATOM 1807 HG13 VAL A 120 30.829 -5.666 4.446 1.00 0.00 H ATOM 1808 HG21 VAL A 120 32.168 -8.243 5.471 1.00 0.00 H ATOM 1809 HG22 VAL A 120 30.648 -9.032 5.959 1.00 0.00 H ATOM 1810 HG23 VAL A 120 30.727 -8.119 4.432 1.00 0.00 H ATOM 1811 H VAL A 120 33.161 -7.327 6.948 1.00 0.00 H ATOM 1812 N GLN A 121 31.017 -9.101 8.758 1.00 10.63 N ATOM 1813 CA GLN A 121 30.323 -10.142 9.503 1.00 10.67 C ATOM 1814 C GLN A 121 29.877 -9.652 10.883 1.00 10.36 C ATOM 1815 O GLN A 121 28.900 -10.160 11.435 1.00 10.53 O ATOM 1816 CB GLN A 121 31.154 -11.424 9.589 1.00 11.06 C ATOM 1817 CG GLN A 121 30.377 -12.600 10.145 1.00 11.71 C ATOM 1818 CD GLN A 121 30.345 -12.595 11.653 1.00 12.19 C ATOM 1819 OE1 GLN A 121 31.171 -11.949 12.291 1.00 12.15 O ATOM 1820 NE2 GLN A 121 29.402 -13.325 12.234 1.00 13.23 N ATOM 1821 HA GLN A 121 29.417 -10.387 8.948 1.00 0.00 H ATOM 1822 HB2 GLN A 121 31.502 -11.680 8.588 1.00 0.00 H ATOM 1823 HB3 GLN A 121 32.012 -11.239 10.235 1.00 0.00 H ATOM 1824 HG2 GLN A 121 29.354 -12.555 9.771 1.00 0.00 H ATOM 1825 HG3 GLN A 121 30.846 -13.524 9.806 1.00 0.00 H ATOM 1826 HE22 GLN A 121 28.723 -13.856 11.652 1.00 0.00 H ATOM 1827 HE21 GLN A 121 29.341 -13.366 13.271 1.00 0.00 H ATOM 1828 H GLN A 121 32.009 -9.234 8.474 1.00 0.00 H ATOM 1829 N ALA A 122 30.564 -8.638 11.410 1.00 10.37 N ATOM 1830 CA ALA A 122 30.186 -8.009 12.685 1.00 10.09 C ATOM 1831 C ALA A 122 28.730 -7.522 12.683 1.00 9.00 C ATOM 1832 O ALA A 122 28.067 -7.510 13.723 1.00 9.12 O ATOM 1833 CB ALA A 122 31.117 -6.856 13.005 1.00 11.55 C ATOM 1834 HA ALA A 122 30.277 -8.773 13.457 1.00 0.00 H ATOM 1835 HB1 ALA A 122 32.139 -7.227 13.082 1.00 0.00 H ATOM 1836 HB2 ALA A 122 31.058 -6.112 12.211 1.00 0.00 H ATOM 1837 HB3 ALA A 122 30.821 -6.404 13.952 1.00 0.00 H ATOM 1838 H ALA A 122 31.397 -8.279 10.901 1.00 0.00 H ATOM 1839 N TRP A 123 28.228 -7.145 11.508 1.00 8.18 N ATOM 1840 CA TRP A 123 26.850 -6.690 11.364 1.00 7.57 C ATOM 1841 C TRP A 123 25.808 -7.758 11.643 1.00 7.53 C ATOM 1842 O TRP A 123 24.649 -7.420 11.867 1.00 7.72 O ATOM 1843 CB TRP A 123 26.627 -6.067 9.980 1.00 7.98 C ATOM 1844 CG TRP A 123 27.372 -4.817 9.894 1.00 8.14 C ATOM 1845 CD1 TRP A 123 28.604 -4.634 9.343 1.00 9.81 C ATOM 1846 CD2 TRP A 123 27.002 -3.576 10.486 1.00 8.26 C ATOM 1847 NE1 TRP A 123 29.010 -3.339 9.517 1.00 10.08 N ATOM 1848 CE2 TRP A 123 28.049 -2.665 10.223 1.00 9.78 C ATOM 1849 CE3 TRP A 123 25.882 -3.141 11.206 1.00 10.00 C ATOM 1850 CZ2 TRP A 123 28.003 -1.335 10.634 1.00 12.38 C ATOM 1851 CZ3 TRP A 123 25.837 -1.821 11.623 1.00 11.78 C ATOM 1852 CH2 TRP A 123 26.904 -0.933 11.342 1.00 12.39 C ATOM 1853 HA TRP A 123 26.709 -5.932 12.135 1.00 0.00 H ATOM 1854 HB2 TRP A 123 26.976 -6.754 9.209 1.00 0.00 H ATOM 1855 HB3 TRP A 123 25.565 -5.870 9.835 1.00 0.00 H ATOM 1856 HE1 TRP A 123 29.902 -2.933 9.170 1.00 0.00 H ATOM 1857 HD1 TRP A 123 29.183 -5.407 8.837 1.00 0.00 H ATOM 1858 HZ2 TRP A 123 28.811 -0.642 10.401 1.00 0.00 H ATOM 1859 HH2 TRP A 123 26.848 0.096 11.699 1.00 0.00 H ATOM 1860 HZ3 TRP A 123 24.969 -1.461 12.175 1.00 0.00 H ATOM 1861 HE3 TRP A 123 25.065 -3.826 11.433 1.00 0.00 H ATOM 1862 H TRP A 123 28.838 -7.176 10.667 1.00 0.00 H ATOM 1863 N ILE A 124 26.203 -9.028 11.631 1.00 8.06 N ATOM 1864 CA ILE A 124 25.255 -10.089 11.955 1.00 8.96 C ATOM 1865 C ILE A 124 25.567 -10.783 13.294 1.00 9.18 C ATOM 1866 O ILE A 124 24.986 -11.818 13.618 1.00 9.15 O ATOM 1867 CB ILE A 124 25.017 -11.085 10.770 1.00 9.95 C ATOM 1868 CG1 ILE A 124 26.310 -11.787 10.348 1.00 12.37 C ATOM 1869 CG2 ILE A 124 24.349 -10.356 9.585 1.00 10.59 C ATOM 1870 CD1 ILE A 124 26.109 -12.956 9.413 1.00 15.72 C ATOM 1871 HA ILE A 124 24.295 -9.596 12.105 1.00 0.00 H ATOM 1872 HB ILE A 124 24.339 -11.866 11.115 1.00 0.00 H ATOM 1873 HG12 ILE A 124 26.947 -11.057 9.849 1.00 0.00 H ATOM 1874 HG13 ILE A 124 26.810 -12.150 11.246 1.00 0.00 H ATOM 1875 HD11 ILE A 124 25.484 -13.705 9.899 1.00 0.00 H ATOM 1876 HD12 ILE A 124 25.622 -12.611 8.501 1.00 0.00 H ATOM 1877 HD13 ILE A 124 27.077 -13.393 9.166 1.00 0.00 H ATOM 1878 HG21 ILE A 124 23.391 -9.947 9.905 1.00 0.00 H ATOM 1879 HG22 ILE A 124 24.996 -9.547 9.247 1.00 0.00 H ATOM 1880 HG23 ILE A 124 24.190 -11.061 8.769 1.00 0.00 H ATOM 1881 H ILE A 124 27.187 -9.265 11.391 1.00 0.00 H ATOM 1882 N ARG A 125 26.438 -10.172 14.093 1.00 9.30 N ATOM 1883 CA ARG A 125 26.790 -10.716 15.408 1.00 10.18 C ATOM 1884 C ARG A 125 25.544 -10.852 16.270 1.00 10.14 C ATOM 1885 O ARG A 125 24.685 -9.963 16.297 1.00 10.37 O ATOM 1886 CB ARG A 125 27.806 -9.812 16.114 1.00 10.84 C ATOM 1887 CG ARG A 125 27.203 -8.538 16.702 1.00 12.87 C ATOM 1888 CD ARG A 125 28.263 -7.594 17.249 1.00 14.57 C ATOM 1889 NE ARG A 125 27.666 -6.391 17.830 1.00 17.78 N ATOM 1890 CZ ARG A 125 27.252 -5.336 17.131 1.00 19.28 C ATOM 1891 NH1 ARG A 125 27.358 -5.317 15.805 1.00 20.36 N ATOM 1892 NH2 ARG A 125 26.720 -4.295 17.760 1.00 20.84 N ATOM 1893 HA ARG A 125 27.237 -11.699 15.261 1.00 0.00 H ATOM 1894 HB2 ARG A 125 28.265 -10.379 16.924 1.00 0.00 H ATOM 1895 HB3 ARG A 125 28.571 -9.527 15.392 1.00 0.00 H ATOM 1896 HG2 ARG A 125 26.644 -8.022 15.921 1.00 0.00 H ATOM 1897 HG3 ARG A 125 26.526 -8.812 17.511 1.00 0.00 H ATOM 1898 HD2 ARG A 125 28.929 -7.302 16.437 1.00 0.00 H ATOM 1899 HD3 ARG A 125 28.835 -8.112 18.019 1.00 0.00 H ATOM 1900 HE ARG A 125 27.557 -6.358 18.864 1.00 0.00 H ATOM 1901 HH12 ARG A 125 27.031 -4.488 15.269 1.00 0.00 H ATOM 1902 HH11 ARG A 125 27.767 -6.131 15.304 1.00 0.00 H ATOM 1903 HH22 ARG A 125 26.396 -3.469 17.217 1.00 0.00 H ATOM 1904 HH21 ARG A 125 26.628 -4.305 18.796 1.00 0.00 H ATOM 1905 H ARG A 125 26.880 -9.286 13.776 1.00 0.00 H ATOM 1906 N GLY A 126 25.438 -11.975 16.968 1.00 9.54 N ATOM 1907 CA GLY A 126 24.333 -12.181 17.883 1.00 10.10 C ATOM 1908 C GLY A 126 23.004 -12.562 17.256 1.00 9.79 C ATOM 1909 O GLY A 126 22.083 -12.957 17.969 1.00 10.97 O ATOM 1910 HA3 GLY A 126 24.185 -11.256 18.439 1.00 0.00 H ATOM 1911 HA2 GLY A 126 24.616 -12.977 18.572 1.00 0.00 H ATOM 1912 H GLY A 126 26.158 -12.718 16.857 1.00 0.00 H ATOM 1913 N CYS A 127 22.896 -12.447 15.932 1.00 9.39 N ATOM 1914 CA CYS A 127 21.650 -12.764 15.247 1.00 9.17 C ATOM 1915 C CYS A 127 21.454 -14.270 15.136 1.00 9.99 C ATOM 1916 O CYS A 127 22.414 -15.006 14.930 1.00 10.91 O ATOM 1917 CB CYS A 127 21.608 -12.129 13.852 1.00 9.22 C ATOM 1918 SG CYS A 127 21.927 -10.352 13.826 1.00 8.32 S ATOM 1919 HA CYS A 127 20.837 -12.349 15.843 1.00 0.00 H ATOM 1920 HB2 CYS A 127 20.619 -12.304 13.428 1.00 0.00 H ATOM 1921 HB3 CYS A 127 22.359 -12.619 13.232 1.00 0.00 H ATOM 1922 HG CYS A 127 23.251 -10.481 14.192 1.00 0.00 H ATOM 1923 H CYS A 127 23.716 -12.125 15.379 1.00 0.00 H ATOM 1924 N ARG A 128 20.199 -14.686 15.263 1.00 10.92 N ATOM 1925 CA ARG A 128 19.771 -16.053 15.027 1.00 11.95 C ATOM 1926 C ARG A 128 19.252 -16.168 13.602 1.00 12.34 C ATOM 1927 O ARG A 128 18.135 -15.726 13.310 1.00 12.75 O ATOM 1928 CB ARG A 128 18.627 -16.391 15.958 1.00 12.16 C ATOM 1929 CG ARG A 128 18.256 -17.826 15.898 1.00 12.48 C ATOM 1930 CD ARG A 128 18.937 -18.525 17.005 1.00 13.02 C ATOM 1931 NE ARG A 128 18.011 -19.421 17.663 1.00 11.91 N ATOM 1932 CZ ARG A 128 18.159 -19.845 18.908 1.00 9.71 C ATOM 1933 NH1 ARG A 128 17.275 -20.672 19.440 1.00 11.34 N ATOM 1934 NH2 ARG A 128 19.203 -19.437 19.619 1.00 10.61 N ATOM 1935 HA ARG A 128 20.612 -16.726 15.194 1.00 0.00 H ATOM 1936 HB2 ARG A 128 18.922 -16.147 16.979 1.00 0.00 H ATOM 1937 HB3 ARG A 128 17.760 -15.793 15.679 1.00 0.00 H ATOM 1938 HG2 ARG A 128 17.176 -17.933 16.002 1.00 0.00 H ATOM 1939 HG3 ARG A 128 18.571 -18.249 14.944 1.00 0.00 H ATOM 1940 HD2 ARG A 128 19.305 -17.793 17.724 1.00 0.00 H ATOM 1941 HD3 ARG A 128 19.776 -19.098 16.610 1.00 0.00 H ATOM 1942 HE ARG A 128 17.182 -19.750 17.128 1.00 0.00 H ATOM 1943 HH12 ARG A 128 17.395 -21.003 20.419 1.00 0.00 H ATOM 1944 HH11 ARG A 128 16.459 -20.992 18.880 1.00 0.00 H ATOM 1945 HH22 ARG A 128 19.326 -19.766 20.598 1.00 0.00 H ATOM 1946 HH21 ARG A 128 19.898 -18.788 19.197 1.00 0.00 H ATOM 1947 H ARG A 128 19.480 -13.991 15.549 1.00 0.00 H TER 1948 ARG A 128 HETATM 1949 O HOH 1 28.793 -11.549 6.718 1.00 6.07 O HETATM 1950 O HOH 2 16.582 -6.733 15.931 1.00 7.73 O HETATM 1951 O HOH 3 27.278 -6.988 -10.962 1.00 10.32 O HETATM 1952 O HOH 4 23.856 13.326 -8.324 1.00 10.64 O HETATM 1953 O HOH 5 13.953 13.033 -7.714 1.00 6.38 O HETATM 1954 O HOH 6 9.214 17.834 -6.396 1.00 11.03 O HETATM 1955 O HOH 7 12.286 10.353 3.892 1.00 7.37 O HETATM 1956 O HOH 8 30.857 -11.592 0.797 1.00 9.53 O HETATM 1957 O HOH 9 10.125 4.752 9.485 1.00 8.54 O HETATM 1958 O HOH 10 15.383 0.653 -0.863 1.00 6.49 O HETATM 1959 O HOH 11 31.937 4.267 8.556 1.00 7.68 O HETATM 1960 O HOH 12 32.700 1.540 8.554 1.00 8.94 O HETATM 1961 O HOH 13 9.506 4.976 12.262 1.00 11.96 O HETATM 1962 O HOH 14 11.331 10.608 -13.464 1.00 10.58 O HETATM 1963 O HOH 15 19.377 -6.492 16.659 1.00 11.28 O HETATM 1964 O HOH 16 17.679 0.177 14.315 1.00 11.35 O HETATM 1965 O HOH 17 30.834 -10.972 -5.346 1.00 9.52 O HETATM 1966 O HOH 18 19.095 12.471 -13.058 1.00 16.18 O HETATM 1967 O HOH 19 33.027 -6.298 1.569 1.00 10.88 O HETATM 1968 O HOH 20 23.638 5.145 9.791 1.00 15.12 O HETATM 1969 O HOH 21 25.982 -2.977 -9.905 1.00 10.07 O HETATM 1970 O HOH 22 21.988 9.258 -9.811 1.00 9.90 O HETATM 1971 O HOH 23 12.359 0.885 2.233 1.00 8.65 O HETATM 1972 O HOH 24 31.785 -2.846 8.833 1.00 10.73 O HETATM 1973 O HOH 25 18.602 2.504 13.288 1.00 15.85 O HETATM 1974 O HOH 26 11.338 -1.665 2.366 1.00 11.66 O HETATM 1975 O HOH 27 11.039 -4.112 -7.144 1.00 14.31 O HETATM 1976 O HOH 28 23.769 6.739 7.483 1.00 12.48 O HETATM 1977 O HOH 29 6.228 -2.254 -1.988 1.00 14.82 O HETATM 1978 O HOH 30 16.873 7.338 8.162 1.00 11.95 O HETATM 1979 O HOH 31 35.105 0.984 2.948 1.00 10.91 O HETATM 1980 O HOH 32 11.933 -4.826 -9.522 1.00 16.24 O HETATM 1981 O HOH 33 12.208 8.567 -11.752 1.00 9.45 O HETATM 1982 O HOH 34 31.330 -0.359 10.148 1.00 13.21 O HETATM 1983 O HOH 35 7.773 2.063 5.515 1.00 14.04 O HETATM 1984 O HOH 36 11.318 -2.602 13.896 1.00 19.70 O HETATM 1985 O HOH 37 21.810 7.407 -0.025 1.00 15.37 O HETATM 1986 O HOH 38 36.770 -3.853 9.879 1.00 16.40 O HETATM 1987 O HOH 39 14.841 -9.380 -8.941 1.00 21.91 O HETATM 1988 O HOH 40 20.664 -6.599 -13.723 1.00 25.12 O HETATM 1989 O HOH 41 24.801 7.269 3.285 1.00 10.69 O HETATM 1990 O HOH 42 25.194 6.636 -0.391 1.00 12.71 O HETATM 1991 O HOH 43 23.885 13.610 -14.997 1.00 16.39 O HETATM 1992 O HOH 44 33.621 -10.059 7.530 1.00 18.48 O HETATM 1993 O HOH 45 38.473 -2.259 8.431 1.00 25.84 O HETATM 1994 O HOH 46 8.350 -4.595 -11.384 1.00 21.09 O HETATM 1995 O HOH 47 23.114 10.700 -7.626 1.00 13.95 O HETATM 1996 O HOH 48 38.175 -1.063 3.610 1.00 19.72 O HETATM 1997 O HOH 49 6.428 2.830 8.980 1.00 17.54 O HETATM 1998 O HOH 50 26.113 -0.343 -11.002 1.00 15.37 O HETATM 1999 O HOH 51 23.367 -15.100 -6.729 1.00 23.28 O HETATM 2000 O HOH 52 19.906 -8.702 18.461 1.00 22.72 O HETATM 2001 O HOH 53 14.621 5.486 -12.950 1.00 11.96 O HETATM 2002 O HOH 54 3.446 5.695 -6.524 1.00 18.73 O HETATM 2003 O HOH 55 4.304 0.341 4.346 1.00 22.32 O HETATM 2004 O HOH 56 37.426 -0.033 -3.944 1.00 16.27 O HETATM 2005 O HOH 57 22.915 -3.015 16.587 1.00 25.01 O HETATM 2006 O HOH 58 17.291 4.949 14.390 1.00 24.83 O HETATM 2007 O HOH 59 20.622 6.002 -19.312 1.00 20.33 O HETATM 2008 O HOH 60 6.513 13.064 -14.757 1.00 17.12 O HETATM 2009 O HOH 61 32.700 -4.141 11.103 1.00 18.05 O HETATM 2010 O HOH 62 22.710 -8.900 19.483 1.00 32.32 O HETATM 2011 O HOH 63 26.231 -8.162 -15.359 1.00 28.19 O HETATM 2012 O HOH 64 19.716 8.135 4.833 1.00 16.27 O HETATM 2013 O HOH 65 1.844 3.560 -6.436 1.00 25.02 O HETATM 2014 O HOH 66 19.487 -11.498 18.208 1.00 18.51 O HETATM 2015 O HOH 67 12.474 10.810 -17.323 1.00 24.63 O HETATM 2016 O HOH 68 14.933 2.117 -19.429 1.00 20.53 O HETATM 2017 O HOH 69 26.824 -1.986 -12.980 1.00 27.04 O HETATM 2018 O HOH 70 14.676 19.132 -10.047 1.00 22.86 O HETATM 2019 O HOH 71 9.186 10.028 -15.211 1.00 22.25 O HETATM 2020 O HOH 72 23.589 -3.252 -17.989 1.00 27.83 O HETATM 2021 O HOH 73 14.993 -15.476 -3.212 1.00 24.81 O HETATM 2022 O HOH 74 27.640 1.525 -9.913 1.00 31.32 O HETATM 2023 O HOH 75 5.310 -3.073 -4.421 1.00 23.02 O HETATM 2024 O HOH 76 11.670 17.650 -12.526 1.00 24.41 O HETATM 2025 O HOH 77 27.858 4.152 -7.458 1.00 33.54 O HETATM 2026 O HOH 78 21.022 -4.497 17.883 1.00 27.88 O HETATM 2027 O HOH 79 22.867 -0.770 14.511 1.00 14.80 O HETATM 2028 O HOH 80 38.072 -0.693 -1.160 1.00 14.57 O HETATM 2029 O HOH 81 26.929 7.230 -13.975 1.00 24.42 O HETATM 2030 O HOH 82 15.151 5.098 15.862 1.00 21.56 O HETATM 2031 O HOH 83 21.829 0.851 -20.779 1.00 26.15 O HETATM 2032 O HOH 84 38.271 -3.357 -0.090 1.00 10.62 O HETATM 2033 O HOH 85 20.794 12.323 -15.147 1.00 23.59 O HETATM 2034 O HOH 86 23.052 3.539 -20.112 1.00 28.77 O HETATM 2035 O HOH 87 22.694 -12.352 -10.450 1.00 23.04 O HETATM 2036 O HOH 88 22.121 -14.666 -9.126 1.00 27.15 O HETATM 2037 O HOH 89 10.857 6.735 -14.820 1.00 20.85 O HETATM 2038 O HOH 90 4.455 3.051 2.840 1.00 23.95 O HETATM 2039 O HOH 91 8.693 -5.568 -6.869 1.00 20.84 O HETATM 2040 O HOH 92 35.634 -0.799 -7.421 1.00 22.36 O HETATM 2041 O HOH 93 37.039 -2.051 -10.370 1.00 21.35 O HETATM 2042 O HOH 94 30.834 -3.299 13.285 1.00 19.56 O HETATM 2043 O HOH 95 18.083 17.948 -6.567 1.00 26.30 O HETATM 2044 O HOH 96 18.108 -16.831 19.978 1.00 20.44 O HETATM 2045 O HOH 97 5.087 3.089 0.318 1.00 22.93 O HETATM 2046 O HOH 98 14.693 -16.612 -0.802 1.00 16.92 O HETATM 2047 O HOH 99 19.668 -16.188 -3.322 1.00 21.21 O HETATM 2048 O HOH 100 29.395 -16.038 2.806 1.00 28.67 O HETATM 2049 O HOH 101 26.911 -19.560 -1.150 1.00 30.94 O HETATM 2050 O HOH 102 26.884 -14.584 6.587 1.00 28.63 O HETATM 2051 O HOH 103 23.235 -16.853 7.538 1.00 30.34 O HETATM 2052 O HOH 104 31.269 -15.393 9.005 1.00 30.65 O HETATM 2053 O HOH 105 31.779 -11.694 5.855 1.00 31.17 O HETATM 2054 O HOH 106 40.335 -2.699 4.703 1.00 33.55 O HETATM 2055 O HOH 107 39.168 -7.102 3.168 1.00 20.97 O HETATM 2056 O HOH 108 37.044 -8.433 3.118 1.00 21.57 O HETATM 2057 O HOH 109 18.480 -10.202 -10.598 1.00 28.43 O HETATM 2058 O HOH 110 5.624 -6.488 -1.628 1.00 29.66 O HETATM 2059 O HOH 111 5.278 -1.757 -11.315 1.00 28.07 O HETATM 2060 O HOH 112 3.582 -1.492 -9.318 1.00 29.78 O HETATM 2061 O HOH 113 2.555 0.936 -5.240 1.00 31.21 O HETATM 2062 O HOH 114 32.026 2.506 -8.178 1.00 27.87 O HETATM 2063 O HOH 115 32.503 8.708 -7.373 1.00 28.84 O HETATM 2064 O HOH 116 18.793 13.523 -18.390 1.00 24.61 O HETATM 2065 O HOH 117 34.679 -7.280 3.535 1.00 14.66 O HETATM 2066 O HOH 118 6.357 -4.993 -5.879 1.00 29.76 O HETATM 2067 O HOH 119 9.644 1.314 13.508 1.00 17.33 O HETATM 2068 O HOH 120 18.603 8.204 -19.449 1.00 21.90 O HETATM 2069 O HOH 121 12.150 -17.837 -1.166 1.00 27.94 O HETATM 2070 O HOH 122 30.925 -8.710 -7.646 1.00 2.80 O HETATM 2071 O HOH 123 5.349 4.382 -11.824 1.00 20.02 O HETATM 2072 O HOH 124 7.547 3.059 12.635 1.00 24.66 O HETATM 2073 O HOH 125 30.709 -17.193 -2.098 1.00 20.30 O HETATM 2074 O HOH 126 7.036 -5.159 12.454 1.00 32.70 O HETATM 2075 O HOH 127 7.170 16.231 -10.858 1.00 16.91 O HETATM 2076 O HOH 128 11.332 0.558 -17.578 1.00 32.63 O HETATM 2077 O HOH 129 15.736 -15.851 7.643 1.00 14.61 O HETATM 2078 O HOH 130 24.400 14.176 -5.127 1.00 19.35 O HETATM 2079 O HOH 131 6.541 2.011 -12.616 1.00 22.93 O HETATM 2080 O HOH 132 5.598 -4.818 -10.867 1.00 26.13 O HETATM 2081 O HOH 133 7.680 -4.411 -0.762 1.00 11.97 O HETATM 2082 O HOH 134 32.757 -9.406 2.538 1.00 14.51 O HETATM 2083 O HOH 135 12.940 -18.115 2.778 1.00 12.65 O HETATM 2084 O HOH 136 13.597 -11.534 -3.928 1.00 26.65 O HETATM 2085 O HOH 137 26.332 13.267 -6.993 1.00 29.18 O HETATM 2086 O HOH 138 11.535 -13.139 -2.047 1.00 29.89 O HETATM 2087 O HOH 139 21.229 20.599 -6.003 1.00 28.90 O HETATM 2088 O HOH 140 10.704 -2.162 -0.364 1.00 12.03 O HETATM 2089 O HOH 141 24.632 8.881 -13.135 1.00 15.18 O HETATM 2090 O HOH 142 17.728 -13.639 -8.953 1.00 29.98 O HETATM 2091 O HOH 143 8.308 -5.579 7.972 1.00 22.63 O HETATM 2092 O HOH 144 30.768 -14.306 0.899 1.00 22.46 O HETATM 2093 O HOH 145 12.714 -18.206 5.769 1.00 15.42 O HETATM 2094 O HOH 146 10.764 5.075 14.548 1.00 21.80 O HETATM 2095 O HOH 147 26.333 -2.467 15.490 1.00 36.85 O HETATM 2096 O HOH 148 34.898 -2.175 10.889 1.00 20.50 O HETATM 2097 C1 NOJ A 149 23.616 8.630 -2.692 1.00 -0.00 C HETATM 2098 C2 NOJ A 149 24.403 8.857 -3.974 1.00 0.12 C HETATM 2099 O2 NOJ A 149 24.480 10.267 -4.184 1.00 -0.38 O HETATM 2100 H4 NOJ A 149 23.603 10.622 -4.264 1.00 0.21 H HETATM 2101 C3 NOJ A 149 23.746 8.151 -5.160 1.00 0.12 C HETATM 2102 O3 NOJ A 149 24.505 8.382 -6.334 1.00 -0.39 O HETATM 2103 H6 NOJ A 149 24.093 7.941 -7.068 1.00 0.21 H HETATM 2104 C4 NOJ A 149 23.693 6.645 -4.926 1.00 0.13 C HETATM 2105 O4 NOJ A 149 23.083 5.939 -6.011 1.00 -0.34 O HETATM 2106 C1 NOJ A 149 23.738 5.251 -7.062 1.00 0.19 C HETATM 2107 C2 NOJ A 149 23.092 4.031 -7.710 1.00 0.12 C HETATM 2108 C3 NOJ A 149 23.982 3.495 -8.809 1.00 0.11 C HETATM 2109 C4 NOJ A 149 24.443 4.631 -9.737 1.00 0.12 C HETATM 2110 C5 NOJ A 149 24.878 5.908 -8.987 1.00 0.11 C HETATM 2111 C6 NOJ A 149 25.144 7.108 -9.907 1.00 0.07 C HETATM 2112 O6 NOJ A 149 23.987 7.462 -10.643 1.00 -0.39 O HETATM 2113 H26 NOJ A 149 23.288 7.692 -10.042 1.00 0.21 H HETATM 2114 H19 NOJ A 149 25.950 6.848 -10.610 1.00 0.06 H HETATM 2115 H20 NOJ A 149 25.455 7.967 -9.294 1.00 0.06 H HETATM 2116 O5 NOJ A 149 23.933 6.283 -8.008 1.00 -0.34 O HETATM 2117 H18 NOJ A 149 25.821 5.671 -8.473 1.00 0.06 H HETATM 2118 O4 NOJ A 149 25.579 4.158 -10.413 1.00 -0.34 O HETATM 2119 C1 NOJ A 149 25.367 3.933 -11.815 1.00 0.19 C HETATM 2120 C2 NOJ A 149 26.768 3.861 -12.417 1.00 0.12 C HETATM 2121 C3 NOJ A 149 26.752 3.350 -13.852 1.00 0.11 C HETATM 2122 C4 NOJ A 149 25.857 2.119 -14.000 1.00 0.12 C HETATM 2123 C5 NOJ A 149 24.477 2.409 -13.411 1.00 0.11 C HETATM 2124 C6 NOJ A 149 23.497 1.246 -13.570 1.00 0.07 C HETATM 2125 O6 NOJ A 149 23.947 0.103 -12.872 1.00 -0.39 O HETATM 2126 H39 NOJ A 149 23.322 -0.603 -12.987 1.00 0.21 H HETATM 2127 H32 NOJ A 149 23.401 1.000 -14.638 1.00 0.06 H HETATM 2128 H33 NOJ A 149 22.516 1.546 -13.173 1.00 0.06 H HETATM 2129 O5 NOJ A 149 24.632 2.744 -12.048 1.00 -0.34 O HETATM 2130 H31 NOJ A 149 24.055 3.276 -13.940 1.00 0.06 H HETATM 2131 O4 NOJ A 149 25.717 1.783 -15.361 1.00 -0.34 O HETATM 2132 C1 NOJ A 149 26.210 0.459 -15.619 1.00 0.19 C HETATM 2133 C2 NOJ A 149 25.590 -0.072 -16.914 1.00 0.12 C HETATM 2134 C3 NOJ A 149 26.181 -1.431 -17.276 1.00 0.11 C HETATM 2135 C4 NOJ A 149 27.705 -1.354 -17.263 1.00 0.11 C HETATM 2136 C5 NOJ A 149 28.174 -0.834 -15.906 1.00 0.11 C HETATM 2137 C6 NOJ A 149 29.695 -0.784 -15.807 1.00 0.07 C HETATM 2138 O6 NOJ A 149 30.169 0.395 -16.418 1.00 -0.39 O HETATM 2139 H53 NOJ A 149 29.798 1.150 -15.977 1.00 0.21 H HETATM 2140 H45 NOJ A 149 30.124 -1.659 -16.317 1.00 0.06 H HETATM 2141 H46 NOJ A 149 29.994 -0.793 -14.748 1.00 0.06 H HETATM 2142 O5 NOJ A 149 27.623 0.455 -15.698 1.00 -0.34 O HETATM 2143 H44 NOJ A 149 27.800 -1.511 -15.124 1.00 0.06 H HETATM 2144 O4 NOJ A 149 28.251 -2.626 -17.520 1.00 -0.39 O HETATM 2145 H52 NOJ A 149 27.949 -2.934 -18.367 1.00 0.21 H HETATM 2146 H43 NOJ A 149 28.038 -0.658 -18.048 1.00 0.06 H HETATM 2147 O3 NOJ A 149 25.732 -1.823 -18.552 1.00 -0.39 O HETATM 2148 H51 NOJ A 149 24.783 -1.869 -18.552 1.00 0.21 H HETATM 2149 H42 NOJ A 149 25.852 -2.175 -16.535 1.00 0.06 H HETATM 2150 N2 NOJ A 149 24.140 -0.129 -16.814 1.00 -0.28 N HETATM 2151 C7 NOJ A 149 23.354 0.666 -17.539 1.00 0.17 C HETATM 2152 C8 NOJ A 149 21.877 0.508 -17.341 1.00 0.03 C HETATM 2153 H47 NOJ A 149 21.342 1.216 -17.992 1.00 0.05 H HETATM 2154 H48 NOJ A 149 21.624 0.713 -16.290 1.00 0.05 H HETATM 2155 H49 NOJ A 149 21.581 -0.520 -17.596 1.00 0.05 H HETATM 2156 O7 NOJ A 149 23.780 1.497 -18.348 1.00 -0.40 O HETATM 2157 H50 NOJ A 149 23.721 -0.783 -16.184 1.00 0.19 H HETATM 2158 H41 NOJ A 149 25.842 0.630 -17.722 1.00 0.06 H HETATM 2159 H40 NOJ A 149 25.907 -0.197 -14.790 1.00 0.09 H HETATM 2160 H30 NOJ A 149 26.313 1.274 -13.462 1.00 0.07 H HETATM 2161 O3 NOJ A 149 28.077 3.038 -14.219 1.00 -0.39 O HETATM 2162 H38 NOJ A 149 28.094 2.748 -15.124 1.00 0.21 H HETATM 2163 H29 NOJ A 149 26.369 4.143 -14.511 1.00 0.06 H HETATM 2164 N2 NOJ A 149 27.425 5.162 -12.350 1.00 -0.28 N HETATM 2165 C7 NOJ A 149 28.385 5.447 -11.466 1.00 0.17 C HETATM 2166 C8 NOJ A 149 28.963 6.833 -11.524 1.00 0.03 C HETATM 2167 H34 NOJ A 149 29.738 6.940 -10.751 1.00 0.05 H HETATM 2168 H35 NOJ A 149 28.166 7.570 -11.349 1.00 0.05 H HETATM 2169 H36 NOJ A 149 29.409 7.003 -12.515 1.00 0.05 H HETATM 2170 O7 NOJ A 149 28.801 4.642 -10.631 1.00 -0.40 O HETATM 2171 H37 NOJ A 149 27.144 5.872 -12.995 1.00 0.19 H HETATM 2172 H28 NOJ A 149 27.355 3.151 -11.815 1.00 0.06 H HETATM 2173 H27 NOJ A 149 24.814 4.778 -12.252 1.00 0.09 H HETATM 2174 H17 NOJ A 149 23.638 4.877 -10.445 1.00 0.07 H HETATM 2175 O3 NOJ A 149 23.257 2.497 -9.497 1.00 -0.39 O HETATM 2176 H25 NOJ A 149 23.806 2.119 -10.174 1.00 0.21 H HETATM 2177 H16 NOJ A 149 24.875 3.037 -8.358 1.00 0.06 H HETATM 2178 N2 NOJ A 149 22.841 3.051 -6.668 1.00 -0.28 N HETATM 2179 C7 NOJ A 149 21.613 2.661 -6.316 1.00 0.17 C HETATM 2180 C8 NOJ A 149 21.558 1.687 -5.185 1.00 0.03 C HETATM 2181 H21 NOJ A 149 20.510 1.430 -4.973 1.00 0.05 H HETATM 2182 H22 NOJ A 149 22.013 2.138 -4.291 1.00 0.05 H HETATM 2183 H23 NOJ A 149 22.111 0.776 -5.458 1.00 0.05 H HETATM 2184 O7 NOJ A 149 20.576 3.045 -6.857 1.00 -0.40 O HETATM 2185 H24 NOJ A 149 23.624 2.650 -6.192 1.00 0.19 H HETATM 2186 H15 NOJ A 149 22.131 4.325 -8.157 1.00 0.06 H HETATM 2187 H14 NOJ A 149 24.712 4.910 -6.681 1.00 0.09 H HETATM 2188 C5 NOJ A 149 22.863 6.387 -3.690 1.00 0.03 C HETATM 2189 N5 NOJ A 149 23.294 7.217 -2.567 1.00 0.23 N HETATM 2190 H9 NOJ A 149 22.555 7.162 -1.884 1.00 0.20 H HETATM 2191 H10 NOJ A 149 24.123 6.777 -2.201 1.00 0.20 H HETATM 2192 C6 NOJ A 149 22.962 4.915 -3.313 1.00 0.09 C HETATM 2193 O6 NOJ A 149 24.299 4.687 -2.874 1.00 -0.39 O HETATM 2194 H13 NOJ A 149 24.483 5.240 -2.124 1.00 0.21 H HETATM 2195 H11 NOJ A 149 22.739 4.285 -4.187 1.00 0.06 H HETATM 2196 H12 NOJ A 149 22.254 4.684 -2.504 1.00 0.06 H HETATM 2197 H8 NOJ A 149 21.814 6.627 -3.917 1.00 0.09 H HETATM 2198 H7 NOJ A 149 24.716 6.268 -4.779 1.00 0.07 H HETATM 2199 H5 NOJ A 149 22.726 8.540 -5.294 1.00 0.06 H HETATM 2200 H3 NOJ A 149 25.419 8.455 -3.850 1.00 0.07 H HETATM 2201 H1 NOJ A 149 22.686 9.217 -2.723 1.00 0.08 H HETATM 2202 H2 NOJ A 149 24.221 8.946 -1.829 1.00 0.08 H CONECT 1 2 22 23 24 CONECT 22 1 CONECT 23 1 CONECT 24 1 CONECT 97 96 101 1918 CONECT 467 466 471 1735 CONECT 990 989 994 1219 CONECT 1161 1160 1165 1407 CONECT 1219 990 1218 1223 CONECT 1407 1161 1406 1411 CONECT 1735 467 1734 1739 CONECT 1918 97 1917 1922 CONECT 2097 2098 2189 2201 2202 CONECT 2098 2097 2099 2101 2200 CONECT 2099 2098 2100 CONECT 2100 2099 CONECT 2101 2098 2102 2104 2199 CONECT 2102 2101 2103 CONECT 2103 2102 CONECT 2104 2101 2105 2188 2198 CONECT 2105 2104 2106 CONECT 2106 2105 2107 2116 2187 CONECT 2107 2106 2108 2178 2186 CONECT 2108 2107 2109 2175 2177 CONECT 2109 2108 2110 2118 2174 CONECT 2110 2109 2111 2116 2117 CONECT 2111 2110 2112 2114 2115 CONECT 2112 2111 2113 CONECT 2113 2112 CONECT 2114 2111 CONECT 2115 2111 CONECT 2116 2106 2110 CONECT 2117 2110 CONECT 2118 2109 2119 CONECT 2119 2118 2120 2129 2173 CONECT 2120 2119 2121 2164 2172 CONECT 2121 2120 2122 2161 2163 CONECT 2122 2121 2123 2131 2160 CONECT 2123 2122 2124 2129 2130 CONECT 2124 2123 2125 2127 2128 CONECT 2125 2124 2126 CONECT 2126 2125 CONECT 2127 2124 CONECT 2128 2124 CONECT 2129 2119 2123 CONECT 2130 2123 CONECT 2131 2122 2132 CONECT 2132 2131 2133 2142 2159 CONECT 2133 2132 2134 2150 2158 CONECT 2134 2133 2135 2147 2149 CONECT 2135 2134 2136 2144 2146 CONECT 2136 2135 2137 2142 2143 CONECT 2137 2136 2138 2140 2141 CONECT 2138 2137 2139 CONECT 2139 2138 CONECT 2140 2137 CONECT 2141 2137 CONECT 2142 2132 2136 CONECT 2143 2136 CONECT 2144 2135 2145 CONECT 2145 2144 CONECT 2146 2135 CONECT 2147 2134 2148 CONECT 2148 2147 CONECT 2149 2134 CONECT 2150 2133 2151 2157 CONECT 2151 2150 2152 2156 CONECT 2152 2151 2153 2154 2155 CONECT 2153 2152 CONECT 2154 2152 CONECT 2155 2152 CONECT 2156 2151 CONECT 2157 2150 CONECT 2158 2133 CONECT 2159 2132 CONECT 2160 2122 CONECT 2161 2121 2162 CONECT 2162 2161 CONECT 2163 2121 CONECT 2164 2120 2165 2171 CONECT 2165 2164 2166 2170 CONECT 2166 2165 2167 2168 2169 CONECT 2167 2166 CONECT 2168 2166 CONECT 2169 2166 CONECT 2170 2165 CONECT 2171 2164 CONECT 2172 2120 CONECT 2173 2119 CONECT 2174 2109 CONECT 2175 2108 2176 CONECT 2176 2175 CONECT 2177 2108 CONECT 2178 2107 2179 2185 CONECT 2179 2178 2180 2184 CONECT 2180 2179 2181 2182 2183 CONECT 2181 2180 CONECT 2182 2180 CONECT 2183 2180 CONECT 2184 2179 CONECT 2185 2178 CONECT 2186 2107 CONECT 2187 2106 CONECT 2188 2104 2189 2192 2197 CONECT 2189 2097 2188 2190 2191 CONECT 2190 2189 CONECT 2191 2189 CONECT 2192 2188 2193 2195 2196 CONECT 2193 2192 2194 CONECT 2194 2193 CONECT 2195 2192 CONECT 2196 2192 CONECT 2197 2188 CONECT 2198 2104 CONECT 2199 2101 CONECT 2200 2098 CONECT 2201 2097 CONECT 2202 2097 MASTER 0 0 0 0 0 0 0 0 2201 1 118 10 END
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Structure:
Ligand 2D
Ligand 3D
Protein
Pocket-Ligand
Protein-Ligand
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Related entries of code: 4hp0
Entries with 90% protein sequence similarity cutoff in PDBbind
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Protein Sequence Similarity
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RCSB PDB
PDBbind
129aa, >1AT5_1|Chain... at 98%
1at6
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PDBbind
129aa, >1AT6_1|Chain... at 100%
1bql
RCSB PDB
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129aa, >1BQL_3|Chain... at 96%
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129aa, >1DQJ_3|Chain... at 100%
1dzb
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PDBbind
129aa, >1DZB_2|Chains... at 94%
1f3j
RCSB PDB
PDBbind
14aa, >1F3J_3|Chains... at 100%
1mlc
RCSB PDB
PDBbind
129aa, >1MLC_3|Chains... at 100%
1p2c
RCSB PDB
PDBbind
129aa, >1P2C_3|Chains... at 100%
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RCSB PDB
PDBbind
129aa, >2IFF_3|Chain... at 99%
3g3a
RCSB PDB
PDBbind
129aa, >3G3A_2|Chains... at 100%
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PDBbind
129aa, >3G3B_2|Chains... at 100%
3m18
RCSB PDB
PDBbind
129aa, >3M18_2|Chain... at 100%
4hpi
RCSB PDB
PDBbind
129aa, >4HPI_1|Chain... at 100%
4tun
RCSB PDB
PDBbind
129aa, >4TUN_1|Chains... at 100%
4z46
RCSB PDB
PDBbind
129aa, >4Z46_1|Chain... at 100%
Complexes with the same small molecule ligand
PDB Code
Check Database
Ligand Name
1a07
RCSB PDB
PDBbind
4-mer
1a08
RCSB PDB
PDBbind
4-mer
1a09
RCSB PDB
PDBbind
4-mer
1a1e
RCSB PDB
PDBbind
4-mer
1a2c
RCSB PDB
PDBbind
4-mer
1aq7
RCSB PDB
PDBbind
4-mer
1e5j
RCSB PDB
PDBbind
4-mer
1ez9
RCSB PDB
PDBbind
4-mer
1gvk
RCSB PDB
PDBbind
4-mer
1ibc
RCSB PDB
PDBbind
4-mer
1is0
RCSB PDB
PDBbind
4-mer
1jyq
RCSB PDB
PDBbind
4-mer
1lkk
RCSB PDB
PDBbind
4-mer
1lkl
RCSB PDB
PDBbind
4-mer
1m21
RCSB PDB
PDBbind
4-mer
1n51
RCSB PDB
PDBbind
4-mer
1pop
RCSB PDB
PDBbind
4-mer
1ppi
RCSB PDB
PDBbind
4-mer
1s3k
RCSB PDB
PDBbind
4-mer
1tl9
RCSB PDB
PDBbind
4-mer
1ukt
RCSB PDB
PDBbind
4-mer
1y3p
RCSB PDB
PDBbind
4-mer
2i3h
RCSB PDB
PDBbind
4-mer
2n7b
RCSB PDB
PDBbind
4-mer
2psx
RCSB PDB
PDBbind
4-mer
2vsl
RCSB PDB
PDBbind
4-mer
2x6w
RCSB PDB
PDBbind
4-mer
2x6y
RCSB PDB
PDBbind
4-mer
2x85
RCSB PDB
PDBbind
4-mer
2xe4
RCSB PDB
PDBbind
4-mer
3che
RCSB PDB
PDBbind
4-mer
3d3x
RCSB PDB
PDBbind
4-mer
3jzg
RCSB PDB
PDBbind
4-mer
3k0k
RCSB PDB
PDBbind
4-mer
3k16
RCSB PDB
PDBbind
4-mer
3mp6
RCSB PDB
PDBbind
4-mer
3nii
RCSB PDB
PDBbind
4-mer
3nij
RCSB PDB
PDBbind
4-mer
3nik
RCSB PDB
PDBbind
4-mer
3nil
RCSB PDB
PDBbind
4-mer
3nim
RCSB PDB
PDBbind
4-mer
3ny3
RCSB PDB
PDBbind
4-mer
3qmk
RCSB PDB
PDBbind
4-mer
3t1n
RCSB PDB
PDBbind
4-mer
3t4p
RCSB PDB
PDBbind
4-mer
3u3z
RCSB PDB
PDBbind
4-mer
3uec
RCSB PDB
PDBbind
4-mer
3ut5
RCSB PDB
PDBbind
4-mer
3uw4
RCSB PDB
PDBbind
4-mer
3uw5
RCSB PDB
PDBbind
4-mer
3zyb
RCSB PDB
PDBbind
4-mer
4b9h
RCSB PDB
PDBbind
4-mer
4c16
RCSB PDB
PDBbind
4-mer
4c1t
RCSB PDB
PDBbind
4-mer
4dxg
RCSB PDB
PDBbind
4-mer
4fgt
RCSB PDB
PDBbind
4-mer
4fzc
RCSB PDB
PDBbind
4-mer
4fzg
RCSB PDB
PDBbind
4-mer
4gk7
RCSB PDB
PDBbind
4-mer
4i67
RCSB PDB
PDBbind
4-mer
4imq
RCSB PDB
PDBbind
4-mer
4imz
RCSB PDB
PDBbind
4-mer
4in9
RCSB PDB
PDBbind
4-mer
4inh
RCSB PDB
PDBbind
4-mer
4j44
RCSB PDB
PDBbind
4-mer
4j45
RCSB PDB
PDBbind
4-mer
4j46
RCSB PDB
PDBbind
4-mer
4j47
RCSB PDB
PDBbind
4-mer
4j48
RCSB PDB
PDBbind
4-mer
4k63
RCSB PDB
PDBbind
4-mer
4k66
RCSB PDB
PDBbind
4-mer
4kom
RCSB PDB
PDBbind
4-mer
4kx8
RCSB PDB
PDBbind
4-mer
4lkd
RCSB PDB
PDBbind
4-mer
4lke
RCSB PDB
PDBbind
4-mer
4lkf
RCSB PDB
PDBbind
4-mer
4mbp
RCSB PDB
PDBbind
4-mer
4q4i
RCSB PDB
PDBbind
4-mer
4trw
RCSB PDB
PDBbind
4-mer
4trz
RCSB PDB
PDBbind
4-mer
4x0z
RCSB PDB
PDBbind
4-mer
4x14
RCSB PDB
PDBbind
4-mer
4z7n
RCSB PDB
PDBbind
4-mer
4z7o
RCSB PDB
PDBbind
4-mer
5ab1
RCSB PDB
PDBbind
4-mer
5ajc
RCSB PDB
PDBbind
4-mer
5azf
RCSB PDB
PDBbind
4-mer
5btv
RCSB PDB
PDBbind
4-mer
5e6o
RCSB PDB
PDBbind
4-mer
5efj
RCSB PDB
PDBbind
4-mer
5f2u
RCSB PDB
PDBbind
4-mer
5f90
RCSB PDB
PDBbind
4-mer
5izj
RCSB PDB
PDBbind
4-mer
5jop
RCSB PDB
PDBbind
4-mer
5jy0
RCSB PDB
PDBbind
4-mer
5tdb
RCSB PDB
PDBbind
4-mer
5vi6
RCSB PDB
PDBbind
4-mer
5wxp
RCSB PDB
PDBbind
4-mer
5yzd
RCSB PDB
PDBbind
4-mer
5zmq
RCSB PDB
PDBbind
4-mer
5zms
RCSB PDB
PDBbind
4-mer
6cct
RCSB PDB
PDBbind
4-mer
6ccu
RCSB PDB
PDBbind
4-mer
6cd8
RCSB PDB
PDBbind
4-mer
6cd9
RCSB PDB
PDBbind
4-mer
6cdc
RCSB PDB
PDBbind
4-mer
6m8w
RCSB PDB
PDBbind
4-mer
6m8y
RCSB PDB
PDBbind
4-mer
6m9f
RCSB PDB
PDBbind
4-mer
6msy
RCSB PDB
PDBbind
4-mer
6mu3
RCSB PDB
PDBbind
4-mer
6pu3
RCSB PDB
PDBbind
4-mer
6prg
RCSB PDB
PDBbind
4-mer
6n3f
RCSB PDB
PDBbind
4-mer
6jjn
RCSB PDB
PDBbind
4-mer
6jjm
RCSB PDB
PDBbind
4-mer
6hop
RCSB PDB
PDBbind
4-mer
Entry Information
PDB ID
4hp0
Complex Type
Protein-Ligand
PDBbind Subset
refined set
Protein Name
Lysozyme C
Ligand Name
4-mer
EC.Number
E.C.3.2.1.17
Resolution
1.19(Å)
Affinity (Kd/Ki/IC50)
Kd=0.76uM
Release Year
2013
Protein/NA Sequence
Check fasta file
Primary Reference
(2013) J.Biol.Chem. Vol. 288: pp. 6072-6082
Ligand Properties
Formula
C
3
0
H
5
3
N
4
O
1
9
Molecular Weight
773.757
Exact Mass
773.330
No. of atoms
106
No. of bonds
109
Polar Surface Area
361.59
LOGP Value
-8.79 (
Computed with XLOGP3
)
-7.35 (
Computed with Open Babel
)
Drug likeness
No. of Hydrogen Bond Donors: 14
No. of Hydrogen Bond Acceptors: 13
No. of Rotatable Bonds: 26
No. of Nitrogen and Oxygen Atoms: 23
No. of Rings: 4
Canonical SMILES
OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)[NH2+]C[C@@H]([C@H]2O)O)[C@@H]([C@H]([C@@H]1O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)O)NC(=O)C
InChI String
InChI=1S/C30H52N4O19/c1-9(39)32-17-22(45)21(44)14(6-36)48-28(17)52-26-16(8-38)50-30(19(24(26)47)34-11(3)41)53-27-15(7-37)49-29(18(23(27)46)33-10(2)40)51-25-12(5-35)31-4-13(42)20(25)43/h12-31,35-38,42-47H,4-8H2,1-3H3,(H,32,39)(H,33,40)(H,34,41)/p+1/t12-,13+,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28+,29+,30+/m1/s1
Links to External Databases
RCSB PDB
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PDBsum
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Pubchem
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UniProtKB AC
UniProt accession number (AC):
P00698
Entrez Gene ID
NCBI Entrez Gene ID:
396218
ASD
Information of known allosteric effects of PDB entries
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