data_2mw6-assembly-1_atom_site # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num _atom_site.pdbe_label_seq_id _atom_site.orig_label_asym_id _atom_site.orig_auth_asym_id ATOM 1 N N . GLY A 1 1 ? -14.721 10.376 7.749 1.0 2.35 ? 1 GLY A N 1 1 . A ATOM 2 C CA . GLY A 1 1 ? -14.451 8.955 8.102 1.0 1.58 ? 1 GLY A CA 1 1 . A ATOM 3 C C . GLY A 1 1 ? -14.349 8.064 6.880 1.0 1.16 ? 1 GLY A C 1 1 . A ATOM 4 O O . GLY A 1 1 ? -13.259 7.587 6.543 1.0 1.12 ? 1 GLY A O 1 1 . A ATOM 5 H H1 . GLY A 1 1 ? -14.771 10.956 8.610 1.0 2.47 ? 1 GLY A H1 1 1 . A ATOM 6 H H2 . GLY A 1 1 ? -15.626 10.453 7.240 1.0 2.69 ? 1 GLY A H2 1 1 . A ATOM 7 H H3 . GLY A 1 1 ? -13.963 10.743 7.139 1.0 2.71 ? 1 GLY A H3 1 1 . A ATOM 8 H HA2 . GLY A 1 1 ? -13.522 8.902 8.650 1.0 1.5 ? 1 GLY A HA2 1 1 . A ATOM 9 H HA3 . GLY A 1 1 ? -15.250 8.594 8.732 1.0 1.88 ? 1 GLY A HA3 1 1 . A ATOM 10 N N . ILE A 1 2 ? -15.492 7.860 6.203 1.0 1.2 ? 2 ILE A N 1 2 . A ATOM 11 C CA . ILE A 1 2 ? -15.570 7.016 4.997 1.0 1.08 ? 2 ILE A CA 1 2 . A ATOM 12 C C . ILE A 1 2 ? -14.709 7.584 3.843 1.0 1.43 ? 2 ILE A C 1 2 . A ATOM 13 O O . ILE A 1 2 ? -14.074 6.823 3.101 1.0 2.45 ? 2 ILE A O 1 2 . A ATOM 14 C CB . ILE A 1 2 ? -17.068 6.803 4.556 1.0 1.15 ? 2 ILE A CB 1 2 . A ATOM 15 C CG1 . ILE A 1 2 ? -17.192 5.740 3.445 1.0 1.4 ? 2 ILE A CG1 1 2 . A ATOM 16 C CG2 . ILE A 1 2 ? -17.741 8.108 4.121 1.0 1.45 ? 2 ILE A CG2 1 2 . A ATOM 17 C CD1 . ILE A 1 2 ? -17.195 4.311 3.955 1.0 1.69 ? 2 ILE A CD1 1 2 . A ATOM 18 H H . ILE A 1 2 ? -16.311 8.292 6.526 1.0 1.54 ? 2 ILE A H 1 2 . A ATOM 19 H HA . ILE A 1 2 ? -15.171 6.048 5.264 1.0 1.12 ? 2 ILE A HA 1 2 . A ATOM 20 H HB . ILE A 1 2 ? -17.605 6.447 5.423 1.0 1.36 ? 2 ILE A HB 1 2 . A ATOM 21 H HG12 . ILE A 1 2 ? -18.114 5.899 2.907 1.0 1.59 ? 2 ILE A HG12 1 2 . A ATOM 22 H HG13 . ILE A 1 2 ? -16.362 5.846 2.762 1.0 1.58 ? 2 ILE A HG13 1 2 . A ATOM 23 H HG21 . ILE A 1 2 ? -18.782 7.921 3.899 1.0 1.73 ? 2 ILE A HG21 1 2 . A ATOM 24 H HG22 . ILE A 1 2 ? -17.249 8.492 3.239 1.0 1.49 ? 2 ILE A HG22 1 2 . A ATOM 25 H HG23 . ILE A 1 2 ? -17.668 8.834 4.917 1.0 1.68 ? 2 ILE A HG23 1 2 . A ATOM 26 H HD11 . ILE A 1 2 ? -17.300 3.632 3.121 1.0 2.05 ? 2 ILE A HD11 1 2 . A ATOM 27 H HD12 . ILE A 1 2 ? -18.020 4.174 4.637 1.0 1.74 ? 2 ILE A HD12 1 2 . A ATOM 28 H HD13 . ILE A 1 2 ? -16.266 4.110 4.467 1.0 1.76 ? 2 ILE A HD13 1 2 . A ATOM 29 N N . GLY A 1 3 ? -14.683 8.922 3.727 1.0 1.01 ? 3 GLY A N 1 3 . A ATOM 30 C CA . GLY A 1 3 ? -13.903 9.593 2.687 1.0 1.23 ? 3 GLY A CA 1 3 . A ATOM 31 C C . GLY A 1 3 ? -12.403 9.546 2.948 1.0 0.93 ? 3 GLY A C 1 3 . A ATOM 32 O O . GLY A 1 3 ? -11.603 9.546 2.006 1.0 1.16 ? 3 GLY A O 1 3 . A ATOM 33 H H . GLY A 1 3 ? -15.202 9.461 4.361 1.0 1.23 ? 3 GLY A H 1 3 . A ATOM 34 H HA2 . GLY A 1 3 ? -14.106 9.115 1.738 1.0 1.67 ? 3 GLY A HA2 1 3 . A ATOM 35 H HA3 . GLY A 1 3 ? -14.214 10.625 2.630 1.0 1.55 ? 3 GLY A HA3 1 3 . A ATOM 36 N N . ALA A 1 4 ? -12.032 9.490 4.236 1.0 0.96 ? 4 ALA A N 1 4 . A ATOM 37 C CA . ALA A 1 4 ? -10.627 9.427 4.651 1.0 0.91 ? 4 ALA A CA 1 4 . A ATOM 38 C C . ALA A 1 4 ? -10.048 8.025 4.434 1.0 0.91 ? 4 ALA A C 1 4 . A ATOM 39 O O . ALA A 1 4 ? -8.931 7.883 3.929 1.0 1.37 ? 4 ALA A O 1 4 . A ATOM 40 C CB . ALA A 1 4 ? -10.489 9.846 6.109 1.0 1.32 ? 4 ALA A CB 1 4 . A ATOM 41 H H . ALA A 1 4 ? -12.727 9.489 4.928 1.0 1.33 ? 4 ALA A H 1 4 . A ATOM 42 H HA . ALA A 1 4 ? -10.072 10.130 4.046 1.0 1.01 ? 4 ALA A HA 1 4 . A ATOM 43 H HB1 . ALA A 1 4 ? -10.981 9.120 6.741 1.0 1.53 ? 4 ALA A HB1 1 4 . A ATOM 44 H HB2 . ALA A 1 4 ? -10.947 10.814 6.249 1.0 1.55 ? 4 ALA A HB2 1 4 . A ATOM 45 H HB3 . ALA A 1 4 ? -9.443 9.901 6.371 1.0 1.62 ? 4 ALA A HB3 1 4 . A ATOM 46 N N . VAL A 1 5 ? -10.829 6.993 4.797 1.0 0.84 ? 5 VAL A N 1 5 . A ATOM 47 C CA . VAL A 1 5 ? -10.406 5.589 4.631 1.0 0.86 ? 5 VAL A CA 1 5 . A ATOM 48 C C . VAL A 1 5 ? -10.453 5.152 3.156 1.0 0.72 ? 5 VAL A C 1 5 . A ATOM 49 O O . VAL A 1 5 ? -9.760 4.210 2.761 1.0 0.86 ? 5 VAL A O 1 5 . A ATOM 50 C CB . VAL A 1 5 ? -11.246 4.601 5.494 1.0 1.06 ? 5 VAL A CB 1 5 . A ATOM 51 C CG1 . VAL A 1 5 ? -10.820 4.678 6.952 1.0 1.28 ? 5 VAL A CG1 1 5 . A ATOM 52 C CG2 . VAL A 1 5 ? -12.752 4.852 5.371 1.0 1.11 ? 5 VAL A CG2 1 5 . A ATOM 53 H H . VAL A 1 5 ? -11.709 7.179 5.186 1.0 1.11 ? 5 VAL A H 1 5 . A ATOM 54 H HA . VAL A 1 5 ? -9.379 5.527 4.965 1.0 0.96 ? 5 VAL A HA 1 5 . A ATOM 55 H HB . VAL A 1 5 ? -11.044 3.598 5.144 1.0 1.11 ? 5 VAL A HB 1 5 . A ATOM 56 H HG11 . VAL A 1 5 ? -11.465 4.051 7.550 1.0 1.45 ? 5 VAL A HG11 1 5 . A ATOM 57 H HG12 . VAL A 1 5 ? -10.891 5.699 7.295 1.0 1.25 ? 5 VAL A HG12 1 5 . A ATOM 58 H HG13 . VAL A 1 5 ? -9.799 4.337 7.047 1.0 1.33 ? 5 VAL A HG13 1 5 . A ATOM 59 H HG21 . VAL A 1 5 ? -13.035 4.841 4.329 1.0 1.32 ? 5 VAL A HG21 1 5 . A ATOM 60 H HG22 . VAL A 1 5 ? -12.989 5.814 5.800 1.0 1.19 ? 5 VAL A HG22 1 5 . A ATOM 61 H HG23 . VAL A 1 5 ? -13.290 4.079 5.900 1.0 1.46 ? 5 VAL A HG23 1 5 . A ATOM 62 N N . LEU A 1 6 ? -11.268 5.858 2.356 1.0 0.63 ? 6 LEU A N 1 6 . A ATOM 63 C CA . LEU A 1 6 ? -11.420 5.566 0.926 1.0 0.66 ? 6 LEU A CA 1 6 . A ATOM 64 C C . LEU A 1 6 ? -10.320 6.246 0.097 1.0 0.68 ? 6 LEU A C 1 6 . A ATOM 65 O O . LEU A 1 6 ? -9.785 5.647 -0.841 1.0 1.05 ? 6 LEU A O 1 6 . A ATOM 66 C CB . LEU A 1 6 ? -12.813 6.019 0.448 1.0 0.8 ? 6 LEU A CB 1 6 . A ATOM 67 C CG . LEU A 1 6 ? -13.344 5.360 -0.837 1.0 0.91 ? 6 LEU A CG 1 6 . A ATOM 68 C CD1 . LEU A 1 6 ? -13.867 3.953 -0.561 1.0 1.08 ? 6 LEU A CD1 1 6 . A ATOM 69 C CD2 . LEU A 1 6 ? -14.440 6.217 -1.453 1.0 1.13 ? 6 LEU A CD2 1 6 . A ATOM 70 H H . LEU A 1 6 ? -11.782 6.598 2.742 1.0 0.71 ? 6 LEU A H 1 6 . A ATOM 71 H HA . LEU A 1 6 ? -11.337 4.497 0.799 1.0 0.75 ? 6 LEU A HA 1 6 . A ATOM 72 H HB2 . LEU A 1 6 ? -13.519 5.821 1.240 1.0 0.88 ? 6 LEU A HB2 1 6 . A ATOM 73 H HB3 . LEU A 1 6 ? -12.778 7.086 0.284 1.0 0.89 ? 6 LEU A HB3 1 6 . A ATOM 74 H HG . LEU A 1 6 ? -12.541 5.283 -1.553 1.0 1.1 ? 6 LEU A HG 1 6 . A ATOM 75 H HD11 . LEU A 1 6 ? -14.297 3.545 -1.464 1.0 1.22 ? 6 LEU A HD11 1 6 . A ATOM 76 H HD12 . LEU A 1 6 ? -14.620 3.993 0.212 1.0 1.49 ? 6 LEU A HD12 1 6 . A ATOM 77 H HD13 . LEU A 1 6 ? -13.052 3.324 -0.237 1.0 1.18 ? 6 LEU A HD13 1 6 . A ATOM 78 H HD21 . LEU A 1 6 ? -15.243 6.339 -0.741 1.0 1.24 ? 6 LEU A HD21 1 6 . A ATOM 79 H HD22 . LEU A 1 6 ? -14.818 5.734 -2.342 1.0 1.27 ? 6 LEU A HD22 1 6 . A ATOM 80 H HD23 . LEU A 1 6 ? -14.037 7.184 -1.712 1.0 1.31 ? 6 LEU A HD23 1 6 . A ATOM 81 N N . LYS A 1 7 ? -9.980 7.491 0.466 1.0 0.57 ? 7 LYS A N 1 7 . A ATOM 82 C CA . LYS A 1 7 ? -8.950 8.267 -0.240 1.0 0.64 ? 7 LYS A CA 1 7 . A ATOM 83 C C . LYS A 1 7 ? -7.526 7.957 0.253 1.0 0.66 ? 7 LYS A C 1 7 . A ATOM 84 O O . LYS A 1 7 ? -6.551 8.367 -0.386 1.0 0.74 ? 7 LYS A O 1 7 . A ATOM 85 C CB . LYS A 1 7 ? -9.232 9.771 -0.096 1.0 0.73 ? 7 LYS A CB 1 7 . A ATOM 86 C CG . LYS A 1 7 ? -10.082 10.366 -1.219 1.0 1.05 ? 7 LYS A CG 1 7 . A ATOM 87 C CD . LYS A 1 7 ? -11.573 10.135 -0.999 1.0 1.19 ? 7 LYS A CD 1 7 . A ATOM 88 C CE . LYS A 1 7 ? -12.402 10.776 -2.100 1.0 1.59 ? 7 LYS A CE 1 7 . A ATOM 89 N NZ . LYS A 1 7 ? -13.863 10.589 -1.879 1.0 1.52 1 7 LYS A NZ 1 7 . A ATOM 90 H H . LYS A 1 7 ? -10.436 7.898 1.232 1.0 0.69 ? 7 LYS A H 1 7 . A ATOM 91 H HA . LYS A 1 7 ? -9.010 8.004 -1.285 1.0 0.7 ? 7 LYS A HA 1 7 . A ATOM 92 H HB2 . LYS A 1 7 ? -9.748 9.937 0.837 1.0 0.78 ? 7 LYS A HB2 1 7 . A ATOM 93 H HB3 . LYS A 1 7 ? -8.289 10.297 -0.072 1.0 0.92 ? 7 LYS A HB3 1 7 . A ATOM 94 H HG2 . LYS A 1 7 ? -9.902 11.429 -1.265 1.0 1.52 ? 7 LYS A HG2 1 7 . A ATOM 95 H HG3 . LYS A 1 7 ? -9.793 9.913 -2.156 1.0 1.25 ? 7 LYS A HG3 1 7 . A ATOM 96 H HD2 . LYS A 1 7 ? -11.765 9.073 -0.989 1.0 1.19 ? 7 LYS A HD2 1 7 . A ATOM 97 H HD3 . LYS A 1 7 ? -11.857 10.564 -0.049 1.0 1.49 ? 7 LYS A HD3 1 7 . A ATOM 98 H HE2 . LYS A 1 7 ? -12.185 11.834 -2.127 1.0 1.94 ? 7 LYS A HE2 1 7 . A ATOM 99 H HE3 . LYS A 1 7 ? -12.129 10.330 -3.044 1.0 2.19 ? 7 LYS A HE3 1 7 . A ATOM 100 H HZ1 . LYS A 1 7 ? -14.401 11.039 -2.647 1.0 2.02 ? 7 LYS A HZ1 1 7 . A ATOM 101 H HZ2 . LYS A 1 7 ? -14.146 11.019 -0.975 1.0 1.72 ? 7 LYS A HZ2 1 7 . A ATOM 102 H HZ3 . LYS A 1 7 ? -14.095 9.575 -1.856 1.0 1.75 ? 7 LYS A HZ3 1 7 . A ATOM 103 N N . VAL A 1 8 ? -7.409 7.236 1.378 1.0 0.65 ? 8 VAL A N 1 8 . A ATOM 104 C CA . VAL A 1 8 ? -6.094 6.882 1.936 1.0 0.75 ? 8 VAL A CA 1 8 . A ATOM 105 C C . VAL A 1 8 ? -5.815 5.374 1.799 1.0 0.73 ? 8 VAL A C 1 8 . A ATOM 106 O O . VAL A 1 8 ? -4.668 4.979 1.563 1.0 1.09 ? 8 VAL A O 1 8 . A ATOM 107 C CB . VAL A 1 8 ? -5.955 7.331 3.429 1.0 0.88 ? 8 VAL A CB 1 8 . A ATOM 108 C CG1 . VAL A 1 8 ? -4.606 6.928 4.028 1.0 0.99 ? 8 VAL A CG1 1 8 . A ATOM 109 C CG2 . VAL A 1 8 ? -6.135 8.840 3.559 1.0 0.86 ? 8 VAL A CG2 1 8 . A ATOM 110 H H . VAL A 1 8 ? -8.219 6.937 1.840 1.0 0.62 ? 8 VAL A H 1 8 . A ATOM 111 H HA . VAL A 1 8 ? -5.348 7.415 1.361 1.0 0.81 ? 8 VAL A HA 1 8 . A ATOM 112 H HB . VAL A 1 8 ? -6.734 6.849 4.001 1.0 0.96 ? 8 VAL A HB 1 8 . A ATOM 113 H HG11 . VAL A 1 8 ? -4.408 5.891 3.806 1.0 1.09 ? 8 VAL A HG11 1 8 . A ATOM 114 H HG12 . VAL A 1 8 ? -4.631 7.068 5.098 1.0 0.94 ? 8 VAL A HG12 1 8 . A ATOM 115 H HG13 . VAL A 1 8 ? -3.825 7.543 3.604 1.0 1.05 ? 8 VAL A HG13 1 8 . A ATOM 116 H HG21 . VAL A 1 8 ? -7.106 9.120 3.179 1.0 1.28 ? 8 VAL A HG21 1 8 . A ATOM 117 H HG22 . VAL A 1 8 ? -5.367 9.345 2.993 1.0 1.02 ? 8 VAL A HG22 1 8 . A ATOM 118 H HG23 . VAL A 1 8 ? -6.061 9.122 4.599 1.0 1.3 ? 8 VAL A HG23 1 8 . A ATOM 119 N N . LEU A 1 9 ? -6.856 4.542 1.945 1.0 0.61 ? 9 LEU A N 1 9 . A ATOM 120 C CA . LEU A 1 9 ? -6.699 3.086 1.847 1.0 0.66 ? 9 LEU A CA 1 9 . A ATOM 121 C C . LEU A 1 9 ? -7.281 2.518 0.551 1.0 0.63 ? 9 LEU A C 1 9 . A ATOM 122 O O . LEU A 1 9 ? -6.741 1.553 0.003 1.0 0.8 ? 9 LEU A O 1 9 . A ATOM 123 C CB . LEU A 1 9 ? -7.346 2.397 3.052 1.0 0.82 ? 9 LEU A CB 1 9 . A ATOM 124 C CG . LEU A 1 9 ? -6.506 2.392 4.333 1.0 0.99 ? 9 LEU A CG 1 9 . A ATOM 125 C CD1 . LEU A 1 9 ? -7.405 2.471 5.557 1.0 1.17 ? 9 LEU A CD1 1 9 . A ATOM 126 C CD2 . LEU A 1 9 ? -5.634 1.143 4.398 1.0 1.19 ? 9 LEU A CD2 1 9 . A ATOM 127 H H . LEU A 1 9 ? -7.744 4.917 2.120 1.0 0.78 ? 9 LEU A H 1 9 . A ATOM 128 H HA . LEU A 1 9 ? -5.640 2.875 1.863 1.0 0.73 ? 9 LEU A HA 1 9 . A ATOM 129 H HB2 . LEU A 1 9 ? -8.282 2.894 3.262 1.0 0.84 ? 9 LEU A HB2 1 9 . A ATOM 130 H HB3 . LEU A 1 9 ? -7.556 1.372 2.782 1.0 0.9 ? 9 LEU A HB3 1 9 . A ATOM 131 H HG . LEU A 1 9 ? -5.857 3.256 4.337 1.0 1.16 ? 9 LEU A HG 1 9 . A ATOM 132 H HD11 . LEU A 1 9 ? -6.802 2.417 6.451 1.0 1.48 ? 9 LEU A HD11 1 9 . A ATOM 133 H HD12 . LEU A 1 9 ? -8.104 1.648 5.544 1.0 1.24 ? 9 LEU A HD12 1 9 . A ATOM 134 H HD13 . LEU A 1 9 ? -7.948 3.405 5.545 1.0 1.43 ? 9 LEU A HD13 1 9 . A ATOM 135 H HD21 . LEU A 1 9 ? -5.036 1.168 5.296 1.0 1.29 ? 9 LEU A HD21 1 9 . A ATOM 136 H HD22 . LEU A 1 9 ? -4.987 1.111 3.534 1.0 1.33 ? 9 LEU A HD22 1 9 . A ATOM 137 H HD23 . LEU A 1 9 ? -6.264 0.265 4.408 1.0 1.33 ? 9 LEU A HD23 1 9 . A ATOM 138 N N . THR A 1 10 ? -8.378 3.114 0.065 1.0 0.58 ? 10 THR A N 1 10 . A ATOM 139 C CA . THR A 1 10 ? -9.030 2.645 -1.164 1.0 0.7 ? 10 THR A CA 1 10 . A ATOM 140 C C . THR A 1 10 ? -8.508 3.404 -2.403 1.0 0.7 ? 10 THR A C 1 10 . A ATOM 141 O O . THR A 1 10 ? -9.259 3.671 -3.349 1.0 0.88 ? 10 THR A O 1 10 . A ATOM 142 C CB . THR A 1 10 ? -10.575 2.776 -1.063 1.0 0.82 ? 10 THR A CB 1 10 . A ATOM 143 O OG1 . THR A 1 10 ? -11.004 2.587 0.293 1.0 0.97 ? 10 THR A OG1 1 10 . A ATOM 144 C CG2 . THR A 1 10 ? -11.276 1.751 -1.953 1.0 1.05 ? 10 THR A CG2 1 10 . A ATOM 145 H H . THR A 1 10 ? -8.753 3.883 0.543 1.0 0.61 ? 10 THR A H 1 10 . A ATOM 146 H HA . THR A 1 10 ? -8.791 1.598 -1.279 1.0 0.8 ? 10 THR A HA 1 10 . A ATOM 147 H HB . THR A 1 10 ? -10.858 3.765 -1.388 1.0 0.97 ? 10 THR A HB 1 10 . A ATOM 148 H HG1 . THR A 1 10 ? -11.418 1.725 0.382 1.0 1.15 ? 10 THR A HG1 1 10 . A ATOM 149 H HG21 . THR A 1 10 ? -12.346 1.851 -1.847 1.0 1.35 ? 10 THR A HG21 1 10 . A ATOM 150 H HG22 . THR A 1 10 ? -10.978 0.756 -1.659 1.0 1.45 ? 10 THR A HG22 1 10 . A ATOM 151 H HG23 . THR A 1 10 ? -10.998 1.920 -2.983 1.0 1.46 ? 10 THR A HG23 1 10 . A ATOM 152 N N . THR A 1 11 ? -7.208 3.724 -2.390 1.0 0.59 ? 11 THR A N 1 11 . A ATOM 153 C CA . THR A 1 11 ? -6.567 4.437 -3.499 1.0 0.7 ? 11 THR A CA 1 11 . A ATOM 154 C C . THR A 1 11 ? -5.170 3.885 -3.787 1.0 0.8 ? 11 THR A C 1 11 . A ATOM 155 O O . THR A 1 11 ? -4.823 3.648 -4.948 1.0 1.51 ? 11 THR A O 1 11 . A ATOM 156 C CB . THR A 1 11 ? -6.467 5.955 -3.228 1.0 0.65 ? 11 THR A CB 1 11 . A ATOM 157 O OG1 . THR A 1 11 ? -6.028 6.190 -1.884 1.0 0.51 ? 11 THR A OG1 1 11 . A ATOM 158 C CG2 . THR A 1 11 ? -7.808 6.638 -3.460 1.0 0.76 ? 11 THR A CG2 1 11 . A ATOM 159 H H . THR A 1 11 ? -6.666 3.472 -1.614 1.0 0.51 ? 11 THR A H 1 11 . A ATOM 160 H HA . THR A 1 11 ? -7.181 4.294 -4.378 1.0 0.88 ? 11 THR A HA 1 11 . A ATOM 161 H HB . THR A 1 11 ? -5.745 6.377 -3.911 1.0 0.76 ? 11 THR A HB 1 11 . A ATOM 162 H HG1 . THR A 1 11 ? -5.078 6.330 -1.878 1.0 0.97 ? 11 THR A HG1 1 11 . A ATOM 163 H HG21 . THR A 1 11 ? -7.712 7.696 -3.263 1.0 1.28 ? 11 THR A HG21 1 11 . A ATOM 164 H HG22 . THR A 1 11 ? -8.549 6.215 -2.799 1.0 1.01 ? 11 THR A HG22 1 11 . A ATOM 165 H HG23 . THR A 1 11 ? -8.114 6.490 -4.485 1.0 1.16 ? 11 THR A HG23 1 11 . A ATOM 166 N N . GLY A 1 12 ? -4.382 3.684 -2.724 1.0 0.88 ? 12 GLY A N 1 12 . A ATOM 167 C CA . GLY A 1 12 ? -3.030 3.161 -2.870 1.0 0.94 ? 12 GLY A CA 1 12 . A ATOM 168 C C . GLY A 1 12 ? -2.896 1.743 -2.350 1.0 0.89 ? 12 GLY A C 1 12 . A ATOM 169 O O . GLY A 1 12 ? -2.669 1.536 -1.154 1.0 0.98 ? 12 GLY A O 1 12 . A ATOM 170 H H . GLY A 1 12 ? -4.724 3.895 -1.830 1.0 1.39 ? 12 GLY A H 1 12 . A ATOM 171 H HA2 . GLY A 1 12 ? -2.761 3.177 -3.917 1.0 1.07 ? 12 GLY A HA2 1 12 . A ATOM 172 H HA3 . GLY A 1 12 ? -2.348 3.799 -2.326 1.0 0.97 ? 12 GLY A HA3 1 12 . A ATOM 173 N N . LEU A 1 13 ? -3.034 0.771 -3.257 1.0 0.8 ? 13 LEU A N 1 13 . A ATOM 174 C CA . LEU A 1 13 ? -2.934 -0.648 -2.908 1.0 0.75 ? 13 LEU A CA 1 13 . A ATOM 175 C C . LEU A 1 13 ? -1.607 -1.278 -3.388 1.0 0.67 ? 13 LEU A C 1 13 . A ATOM 176 O O . LEU A 1 13 ? -0.966 -1.980 -2.601 1.0 0.63 ? 13 LEU A O 1 13 . A ATOM 177 C CB . LEU A 1 13 ? -4.128 -1.434 -3.475 1.0 0.84 ? 13 LEU A CB 1 13 . A ATOM 178 C CG . LEU A 1 13 ? -5.273 -1.709 -2.491 1.0 0.93 ? 13 LEU A CG 1 13 . A ATOM 179 C CD1 . LEU A 1 13 ? -6.275 -0.562 -2.488 1.0 1.5 ? 13 LEU A CD1 1 13 . A ATOM 180 C CD2 . LEU A 1 13 ? -5.965 -3.019 -2.838 1.0 1.2 ? 13 LEU A CD2 1 13 . A ATOM 181 H H . LEU A 1 13 ? -3.210 1.015 -4.190 1.0 0.8 ? 13 LEU A H 1 13 . A ATOM 182 H HA . LEU A 1 13 ? -2.963 -0.713 -1.831 1.0 0.77 ? 13 LEU A HA 1 13 . A ATOM 183 H HB2 . LEU A 1 13 ? -4.532 -0.878 -4.308 1.0 1.04 ? 13 LEU A HB2 1 13 . A ATOM 184 H HB3 . LEU A 1 13 ? -3.765 -2.383 -3.842 1.0 0.87 ? 13 LEU A HB3 1 13 . A ATOM 185 H HG . LEU A 1 13 ? -4.870 -1.801 -1.493 1.0 1.14 ? 13 LEU A HG 1 13 . A ATOM 186 H HD11 . LEU A 1 13 ? -7.062 -0.773 -1.779 1.0 1.65 ? 13 LEU A HD11 1 13 . A ATOM 187 H HD12 . LEU A 1 13 ? -6.701 -0.453 -3.475 1.0 1.79 ? 13 LEU A HD12 1 13 . A ATOM 188 H HD13 . LEU A 1 13 ? -5.774 0.353 -2.209 1.0 1.82 ? 13 LEU A HD13 1 13 . A ATOM 189 H HD21 . LEU A 1 13 ? -6.341 -2.972 -3.849 1.0 1.54 ? 13 LEU A HD21 1 13 . A ATOM 190 H HD22 . LEU A 1 13 ? -6.784 -3.185 -2.155 1.0 1.48 ? 13 LEU A HD22 1 13 . A ATOM 191 H HD23 . LEU A 1 13 ? -5.258 -3.832 -2.755 1.0 1.47 ? 13 LEU A HD23 1 13 . A ATOM 192 N N . PRO A 1 14 ? -1.154 -1.058 -4.675 1.0 0.71 ? 14 PRO A N 1 14 . A ATOM 193 C CA . PRO A 1 14 ? 0.110 -1.646 -5.181 1.0 0.73 ? 14 PRO A CA 1 14 . A ATOM 194 C C . PRO A 1 14 ? 1.371 -1.033 -4.557 1.0 0.75 ? 14 PRO A C 1 14 . A ATOM 195 O O . PRO A 1 14 ? 2.469 -1.579 -4.710 1.0 0.92 ? 14 PRO A O 1 14 . A ATOM 196 C CB . PRO A 1 14 ? 0.078 -1.358 -6.693 1.0 0.85 ? 14 PRO A CB 1 14 . A ATOM 197 C CG . PRO A 1 14 ? -1.310 -0.905 -6.992 1.0 0.91 ? 14 PRO A CG 1 14 . A ATOM 198 C CD . PRO A 1 14 ? -1.806 -0.255 -5.736 1.0 0.81 ? 14 PRO A CD 1 14 . A ATOM 199 H HA . PRO A 1 14 ? 0.127 -2.715 -5.022 1.0 0.7 ? 14 PRO A HA 1 14 . A ATOM 200 H HB2 . PRO A 1 14 ? 0.796 -0.583 -6.930 1.0 0.9 ? 14 PRO A HB2 1 14 . A ATOM 201 H HB3 . PRO A 1 14 ? 0.303 -2.256 -7.247 1.0 0.93 ? 14 PRO A HB3 1 14 . A ATOM 202 H HG2 . PRO A 1 14 ? -1.298 -0.195 -7.809 1.0 1.08 ? 14 PRO A HG2 1 14 . A ATOM 203 H HG3 . PRO A 1 14 ? -1.931 -1.752 -7.237 1.0 1.01 ? 14 PRO A HG3 1 14 . A ATOM 204 H HD2 . PRO A 1 14 ? -1.488 0.778 -5.693 1.0 0.9 ? 14 PRO A HD2 1 14 . A ATOM 205 H HD3 . PRO A 1 14 ? -2.879 -0.326 -5.671 1.0 0.84 ? 14 PRO A HD3 1 14 . A ATOM 206 N N . ALA A 1 15 ? 1.204 0.096 -3.846 1.0 0.67 ? 15 ALA A N 1 15 . A ATOM 207 C CA . ALA A 1 15 ? 2.324 0.789 -3.190 1.0 0.73 ? 15 ALA A CA 1 15 . A ATOM 208 C C . ALA A 1 15 ? 2.816 0.020 -1.960 1.0 0.73 ? 15 ALA A C 1 15 . A ATOM 209 O O . ALA A 1 15 ? 4.025 -0.093 -1.735 1.0 0.88 ? 15 ALA A O 1 15 . A ATOM 210 C CB . ALA A 1 15 ? 1.917 2.205 -2.804 1.0 0.8 ? 15 ALA A CB 1 15 . A ATOM 211 H H . ALA A 1 15 ? 0.302 0.470 -3.760 1.0 0.63 ? 15 ALA A H 1 15 . A ATOM 212 H HA . ALA A 1 15 ? 3.133 0.857 -3.903 1.0 0.77 ? 15 ALA A HA 1 15 . A ATOM 213 H HB1 . ALA A 1 15 ? 1.563 2.729 -3.679 1.0 0.79 ? 15 ALA A HB1 1 15 . A ATOM 214 H HB2 . ALA A 1 15 ? 2.770 2.724 -2.394 1.0 0.92 ? 15 ALA A HB2 1 15 . A ATOM 215 H HB3 . ALA A 1 15 ? 1.131 2.165 -2.065 1.0 0.78 ? 15 ALA A HB3 1 15 . A ATOM 216 N N . LEU A 1 16 ? 1.865 -0.525 -1.182 1.0 0.64 ? 16 LEU A N 1 16 . A ATOM 217 C CA . LEU A 1 16 ? 2.179 -1.308 0.023 1.0 0.67 ? 16 LEU A CA 1 16 . A ATOM 218 C C . LEU A 1 16 ? 2.757 -2.678 -0.350 1.0 0.63 ? 16 LEU A C 1 16 . A ATOM 219 O O . LEU A 1 16 ? 3.642 -3.196 0.341 1.0 0.76 ? 16 LEU A O 1 16 . A ATOM 220 C CB . LEU A 1 16 ? 0.926 -1.481 0.894 1.0 0.75 ? 16 LEU A CB 1 16 . A ATOM 221 C CG . LEU A 1 16 ? 0.385 -0.196 1.543 1.0 0.96 ? 16 LEU A CG 1 16 . A ATOM 222 C CD1 . LEU A 1 16 ? -1.111 -0.314 1.785 1.0 1.2 ? 16 LEU A CD1 1 16 . A ATOM 223 C CD2 . LEU A 1 16 ? 1.108 0.099 2.852 1.0 1.23 ? 16 LEU A CD2 1 16 . A ATOM 224 H H . LEU A 1 16 ? 0.924 -0.396 -1.428 1.0 0.63 ? 16 LEU A H 1 16 . A ATOM 225 H HA . LEU A 1 16 ? 2.922 -0.759 0.584 1.0 0.72 ? 16 LEU A HA 1 16 . A ATOM 226 H HB2 . LEU A 1 16 ? 0.144 -1.902 0.279 1.0 0.81 ? 16 LEU A HB2 1 16 . A ATOM 227 H HB3 . LEU A 1 16 ? 1.157 -2.183 1.681 1.0 0.95 ? 16 LEU A HB3 1 16 . A ATOM 228 H HG . LEU A 1 16 ? 0.549 0.635 0.872 1.0 1.21 ? 16 LEU A HG 1 16 . A ATOM 229 H HD11 . LEU A 1 16 ? -1.471 0.588 2.259 1.0 1.66 ? 16 LEU A HD11 1 16 . A ATOM 230 H HD12 . LEU A 1 16 ? -1.306 -1.160 2.428 1.0 1.38 ? 16 LEU A HD12 1 16 . A ATOM 231 H HD13 . LEU A 1 16 ? -1.619 -0.453 0.843 1.0 1.32 ? 16 LEU A HD13 1 16 . A ATOM 232 H HD21 . LEU A 1 16 ? 0.970 -0.725 3.535 1.0 1.24 ? 16 LEU A HD21 1 16 . A ATOM 233 H HD22 . LEU A 1 16 ? 0.705 1.001 3.291 1.0 1.49 ? 16 LEU A HD22 1 16 . A ATOM 234 H HD23 . LEU A 1 16 ? 2.162 0.234 2.659 1.0 1.81 ? 16 LEU A HD23 1 16 . A ATOM 235 N N . ILE A 1 17 ? 2.255 -3.242 -1.466 1.0 0.53 ? 17 ILE A N 1 17 . A ATOM 236 C CA . ILE A 1 17 ? 2.714 -4.546 -1.981 1.0 0.52 ? 17 ILE A CA 1 17 . A ATOM 237 C C . ILE A 1 17 ? 4.148 -4.420 -2.531 1.0 0.53 ? 17 ILE A C 1 17 . A ATOM 238 O O . ILE A 1 17 ? 4.961 -5.340 -2.390 1.0 0.63 ? 17 ILE A O 1 17 . A ATOM 239 C CB . ILE A 1 17 ? 1.770 -5.105 -3.104 1.0 0.54 ? 17 ILE A CB 1 17 . A ATOM 240 C CG1 . ILE A 1 17 ? 0.261 -4.862 -2.792 1.0 0.6 ? 17 ILE A CG1 1 17 . A ATOM 241 C CG2 . ILE A 1 17 ? 2.034 -6.596 -3.365 1.0 0.58 ? 17 ILE A CG2 1 17 . A ATOM 242 C CD1 . ILE A 1 17 ? -0.249 -5.409 -1.458 1.0 0.64 ? 17 ILE A CD1 1 17 . A ATOM 243 H H . ILE A 1 17 ? 1.554 -2.766 -1.957 1.0 0.54 ? 17 ILE A H 1 17 . A ATOM 244 H HA . ILE A 1 17 ? 2.715 -5.247 -1.159 1.0 0.55 ? 17 ILE A HA 1 17 . A ATOM 245 H HB . ILE A 1 17 ? 2.015 -4.578 -4.015 1.0 0.55 ? 17 ILE A HB 1 17 . A ATOM 246 H HG12 . ILE A 1 17 ? 0.078 -3.799 -2.791 1.0 0.61 ? 17 ILE A HG12 1 17 . A ATOM 247 H HG13 . ILE A 1 17 ? -0.329 -5.313 -3.577 1.0 0.64 ? 17 ILE A HG13 1 17 . A ATOM 248 H HG21 . ILE A 1 17 ? 1.328 -6.963 -4.097 1.0 1.05 ? 17 ILE A HG21 1 17 . A ATOM 249 H HG22 . ILE A 1 17 ? 1.919 -7.149 -2.446 1.0 1.42 ? 17 ILE A HG22 1 17 . A ATOM 250 H HG23 . ILE A 1 17 ? 3.039 -6.724 -3.739 1.0 1.01 ? 17 ILE A HG23 1 17 . A ATOM 251 H HD11 . ILE A 1 17 ? -0.106 -6.479 -1.429 1.0 1.2 ? 17 ILE A HD11 1 17 . A ATOM 252 H HD12 . ILE A 1 17 ? -1.299 -5.184 -1.353 1.0 1.2 ? 17 ILE A HD12 1 17 . A ATOM 253 H HD13 . ILE A 1 17 ? 0.299 -4.952 -0.648 1.0 1.23 ? 17 ILE A HD13 1 17 . A ATOM 254 N N . SER A 1 18 ? 4.438 -3.256 -3.141 1.0 0.53 ? 18 SER A N 1 18 . A ATOM 255 C CA . SER A 1 18 ? 5.762 -2.963 -3.704 1.0 0.6 ? 18 SER A CA 1 18 . A ATOM 256 C C . SER A 1 18 ? 6.781 -2.659 -2.599 1.0 0.59 ? 18 SER A C 1 18 . A ATOM 257 O O . SER A 1 18 ? 7.973 -2.942 -2.754 1.0 0.88 ? 18 SER A O 1 18 . A ATOM 258 C CB . SER A 1 18 ? 5.677 -1.783 -4.674 1.0 0.73 ? 18 SER A CB 1 18 . A ATOM 259 O OG . SER A 1 18 ? 4.870 -2.101 -5.795 1.0 0.8 ? 18 SER A OG 1 18 . A ATOM 260 H H . SER A 1 18 ? 3.736 -2.576 -3.213 1.0 0.57 ? 18 SER A H 1 18 . A ATOM 261 H HA . SER A 1 18 ? 6.090 -3.838 -4.246 1.0 0.63 ? 18 SER A HA 1 18 . A ATOM 262 H HB2 . SER A 1 18 ? 5.245 -0.933 -4.166 1.0 0.74 ? 18 SER A HB2 1 18 . A ATOM 263 H HB3 . SER A 1 18 ? 6.668 -1.531 -5.019 1.0 0.81 ? 18 SER A HB3 1 18 . A ATOM 264 H HG . SER A 1 18 ? 3.961 -2.223 -5.511 1.0 1.1 ? 18 SER A HG 1 18 . A ATOM 265 N N . TRP A 1 19 ? 6.295 -2.091 -1.480 1.0 0.49 ? 19 TRP A N 1 19 . A ATOM 266 C CA . TRP A 1 19 ? 7.146 -1.760 -0.327 1.0 0.54 ? 19 TRP A CA 1 19 . A ATOM 267 C C . TRP A 1 19 ? 7.535 -3.020 0.456 1.0 0.5 ? 19 TRP A C 1 19 . A ATOM 268 O O . TRP A 1 19 ? 8.671 -3.135 0.932 1.0 0.59 ? 19 TRP A O 1 19 . A ATOM 269 C CB . TRP A 1 19 ? 6.438 -0.763 0.594 1.0 0.68 ? 19 TRP A CB 1 19 . A ATOM 270 C CG . TRP A 1 19 ? 6.811 0.668 0.321 1.0 0.62 ? 19 TRP A CG 1 19 . A ATOM 271 C CD1 . TRP A 1 19 ? 6.176 1.540 -0.518 1.0 0.96 ? 19 TRP A CD1 1 19 . A ATOM 272 C CD2 . TRP A 1 19 ? 7.907 1.396 0.878 1.0 0.63 ? 19 TRP A CD2 1 19 . A ATOM 273 N NE1 . TRP A 1 19 ? 6.816 2.763 -0.512 1.0 1.09 ? 19 TRP A NE1 1 19 . A ATOM 274 C CE2 . TRP A 1 19 ? 7.888 2.713 0.344 1.0 0.9 ? 19 TRP A CE2 1 19 . A ATOM 275 C CE3 . TRP A 1 19 ? 8.940 1.093 1.795 1.0 0.84 ? 19 TRP A CE3 1 19 . A ATOM 276 C CZ2 . TRP A 1 19 ? 8.820 3.720 0.669 1.0 1.16 ? 19 TRP A CZ2 1 19 . A ATOM 277 C CZ3 . TRP A 1 19 ? 9.875 2.063 2.126 1.0 1.15 ? 19 TRP A CZ3 1 19 . A ATOM 278 C CH2 . TRP A 1 19 ? 9.825 3.380 1.573 1.0 1.24 ? 19 TRP A CH2 1 19 . A ATOM 279 H H . TRP A 1 19 ? 5.337 -1.888 -1.432 1.0 0.6 ? 19 TRP A H 1 19 . A ATOM 280 H HA . TRP A 1 19 ? 8.047 -1.301 -0.708 1.0 0.59 ? 19 TRP A HA 1 19 . A ATOM 281 H HB2 . TRP A 1 19 ? 5.369 -0.860 0.466 1.0 0.97 ? 19 TRP A HB2 1 19 . A ATOM 282 H HB3 . TRP A 1 19 ? 6.694 -0.986 1.620 1.0 0.79 ? 19 TRP A HB3 1 19 . A ATOM 283 H HD1 . TRP A 1 19 ? 5.302 1.292 -1.101 1.0 1.22 ? 19 TRP A HD1 1 19 . A ATOM 284 H HE1 . TRP A 1 19 ? 6.547 3.548 -1.032 1.0 1.4 ? 19 TRP A HE1 1 19 . A ATOM 285 H HE3 . TRP A 1 19 ? 9.010 0.103 2.221 1.0 0.96 ? 19 TRP A HE3 1 19 . A ATOM 286 H HZ2 . TRP A 1 19 ? 8.766 4.703 0.226 1.0 1.42 ? 19 TRP A HZ2 1 19 . A ATOM 287 H HZ3 . TRP A 1 19 ? 10.656 1.821 2.830 1.0 1.44 ? 19 TRP A HZ3 1 19 . A ATOM 288 H HH2 . TRP A 1 19 ? 10.565 4.114 1.859 1.0 1.52 ? 19 TRP A HH2 1 19 . A ATOM 289 N N . ILE A 1 20 ? 6.586 -3.969 0.571 1.0 0.52 ? 20 ILE A N 1 20 . A ATOM 290 C CA . ILE A 1 20 ? 6.827 -5.244 1.275 1.0 0.56 ? 20 ILE A CA 1 20 . A ATOM 291 C C . ILE A 1 20 ? 7.674 -6.200 0.417 1.0 0.59 ? 20 ILE A C 1 20 . A ATOM 292 O O . ILE A 1 20 ? 8.444 -7.004 0.950 1.0 0.75 ? 20 ILE A O 1 20 . A ATOM 293 C CB . ILE A 1 20 ? 5.509 -5.954 1.717 1.0 0.71 ? 20 ILE A CB 1 20 . A ATOM 294 C CG1 . ILE A 1 20 ? 4.511 -6.107 0.555 1.0 0.93 ? 20 ILE A CG1 1 20 . A ATOM 295 C CG2 . ILE A 1 20 ? 4.861 -5.202 2.872 1.0 1.12 ? 20 ILE A CG2 1 20 . A ATOM 296 C CD1 . ILE A 1 20 ? 4.530 -7.479 -0.080 1.0 1.33 ? 20 ILE A CD1 1 20 . A ATOM 297 H H . ILE A 1 20 ? 5.705 -3.806 0.174 1.0 0.58 ? 20 ILE A H 1 20 . A ATOM 298 H HA . ILE A 1 20 ? 7.391 -5.010 2.169 1.0 0.57 ? 20 ILE A HA 1 20 . A ATOM 299 H HB . ILE A 1 20 ? 5.773 -6.937 2.079 1.0 1.0 ? 20 ILE A HB 1 20 . A ATOM 300 H HG12 . ILE A 1 20 ? 3.512 -5.924 0.920 1.0 1.04 ? 20 ILE A HG12 1 20 . A ATOM 301 H HG13 . ILE A 1 20 ? 4.752 -5.383 -0.209 1.0 1.17 ? 20 ILE A HG13 1 20 . A ATOM 302 H HG21 . ILE A 1 20 ? 5.529 -5.200 3.720 1.0 1.42 ? 20 ILE A HG21 1 20 . A ATOM 303 H HG22 . ILE A 1 20 ? 3.936 -5.689 3.144 1.0 1.21 ? 20 ILE A HG22 1 20 . A ATOM 304 H HG23 . ILE A 1 20 ? 4.658 -4.185 2.570 1.0 1.32 ? 20 ILE A HG23 1 20 . A ATOM 305 H HD11 . ILE A 1 20 ? 3.926 -7.471 -0.975 1.0 1.7 ? 20 ILE A HD11 1 20 . A ATOM 306 H HD12 . ILE A 1 20 ? 4.132 -8.203 0.616 1.0 1.35 ? 20 ILE A HD12 1 20 . A ATOM 307 H HD13 . ILE A 1 20 ? 5.546 -7.745 -0.334 1.0 1.51 ? 20 ILE A HD13 1 20 . A ATOM 308 N N . LYS A 1 21 ? 7.520 -6.090 -0.918 1.0 0.54 ? 21 LYS A N 1 21 . A ATOM 309 C CA . LYS A 1 21 ? 8.276 -6.914 -1.874 1.0 0.66 ? 21 LYS A CA 1 21 . A ATOM 310 C C . LYS A 1 21 ? 9.718 -6.414 -2.012 1.0 0.6 ? 21 LYS A C 1 21 . A ATOM 311 O O . LYS A 1 21 ? 10.639 -7.210 -2.228 1.0 0.7 ? 21 LYS A O 1 21 . A ATOM 312 C CB . LYS A 1 21 ? 7.590 -6.918 -3.243 1.0 0.79 ? 21 LYS A CB 1 21 . A ATOM 313 C CG . LYS A 1 21 ? 6.414 -7.877 -3.331 1.0 1.01 ? 21 LYS A CG 1 21 . A ATOM 314 C CD . LYS A 1 21 ? 5.842 -7.934 -4.737 1.0 1.03 ? 21 LYS A CD 1 21 . A ATOM 315 C CE . LYS A 1 21 ? 4.781 -9.017 -4.861 1.0 1.13 ? 21 LYS A CE 1 21 . A ATOM 316 N NZ . LYS A 1 21 ? 4.139 -9.018 -6.205 1.0 1.58 1 21 LYS A NZ 1 21 . A ATOM 317 H H . LYS A 1 21 ? 6.880 -5.435 -1.265 1.0 0.52 ? 21 LYS A H 1 21 . A ATOM 318 H HA . LYS A 1 21 ? 8.297 -7.924 -1.491 1.0 0.75 ? 21 LYS A HA 1 21 . A ATOM 319 H HB2 . LYS A 1 21 ? 7.233 -5.923 -3.458 1.0 1.0 ? 21 LYS A HB2 1 21 . A ATOM 320 H HB3 . LYS A 1 21 ? 8.314 -7.201 -3.995 1.0 0.9 ? 21 LYS A HB3 1 21 . A ATOM 321 H HG2 . LYS A 1 21 ? 6.746 -8.864 -3.047 1.0 1.29 ? 21 LYS A HG2 1 21 . A ATOM 322 H HG3 . LYS A 1 21 ? 5.642 -7.546 -2.652 1.0 1.39 ? 21 LYS A HG3 1 21 . A ATOM 323 H HD2 . LYS A 1 21 ? 5.398 -6.980 -4.974 1.0 1.28 ? 21 LYS A HD2 1 21 . A ATOM 324 H HD3 . LYS A 1 21 ? 6.642 -8.145 -5.433 1.0 1.06 ? 21 LYS A HD3 1 21 . A ATOM 325 H HE2 . LYS A 1 21 ? 5.245 -9.977 -4.693 1.0 1.11 ? 21 LYS A HE2 1 21 . A ATOM 326 H HE3 . LYS A 1 21 ? 4.024 -8.848 -4.109 1.0 1.19 ? 21 LYS A HE3 1 21 . A ATOM 327 H HZ1 . LYS A 1 21 ? 3.416 -9.764 -6.253 1.0 1.84 ? 21 LYS A HZ1 1 21 . A ATOM 328 H HZ2 . LYS A 1 21 ? 4.851 -9.192 -6.942 1.0 1.52 ? 21 LYS A HZ2 1 21 . A ATOM 329 H HZ3 . LYS A 1 21 ? 3.686 -8.099 -6.386 1.0 2.1 ? 21 LYS A HZ3 1 21 . A ATOM 330 N N . ARG A 1 22 ? 9.902 -5.088 -1.876 1.0 0.56 ? 22 ARG A N 1 22 . A ATOM 331 C CA . ARG A 1 22 ? 11.229 -4.461 -1.960 1.0 0.56 ? 22 ARG A CA 1 22 . A ATOM 332 C C . ARG A 1 22 ? 11.987 -4.593 -0.633 1.0 0.52 ? 22 ARG A C 1 22 . A ATOM 333 O O . ARG A 1 22 ? 13.221 -4.597 -0.615 1.0 0.66 ? 22 ARG A O 1 22 . A ATOM 334 C CB . ARG A 1 22 ? 11.107 -2.983 -2.348 1.0 0.63 ? 22 ARG A CB 1 22 . A ATOM 335 C CG . ARG A 1 22 ? 10.816 -2.761 -3.825 1.0 0.92 ? 22 ARG A CG 1 22 . A ATOM 336 C CD . ARG A 1 22 ? 10.707 -1.282 -4.159 1.0 1.04 ? 22 ARG A CD 1 22 . A ATOM 337 N NE . ARG A 1 22 ? 10.467 -1.060 -5.589 1.0 1.25 ? 22 ARG A NE 1 22 . A ATOM 338 C CZ . ARG A 1 22 ? 10.319 0.144 -6.162 1.0 1.56 ? 22 ARG A CZ 1 22 . A ATOM 339 N NH1 . ARG A 1 22 ? 10.382 1.264 -5.444 1.0 1.61 1 22 ARG A NH1 1 22 . A ATOM 340 N NH2 . ARG A 1 22 ? 10.108 0.225 -7.468 1.0 2.06 ? 22 ARG A NH2 1 22 . A ATOM 341 H H . ARG A 1 22 ? 9.120 -4.519 -1.715 1.0 0.61 ? 22 ARG A H 1 22 . A ATOM 342 H HA . ARG A 1 22 ? 11.786 -4.977 -2.727 1.0 0.67 ? 22 ARG A HA 1 22 . A ATOM 343 H HB2 . ARG A 1 22 ? 10.308 -2.538 -1.775 1.0 0.98 ? 22 ARG A HB2 1 22 . A ATOM 344 H HB3 . ARG A 1 22 ? 12.033 -2.483 -2.106 1.0 0.82 ? 22 ARG A HB3 1 22 . A ATOM 345 H HG2 . ARG A 1 22 ? 11.616 -3.192 -4.408 1.0 1.19 ? 22 ARG A HG2 1 22 . A ATOM 346 H HG3 . ARG A 1 22 ? 9.884 -3.248 -4.074 1.0 1.48 ? 22 ARG A HG3 1 22 . A ATOM 347 H HD2 . ARG A 1 22 ? 9.887 -0.859 -3.597 1.0 1.28 ? 22 ARG A HD2 1 22 . A ATOM 348 H HD3 . ARG A 1 22 ? 11.627 -0.793 -3.877 1.0 1.34 ? 22 ARG A HD3 1 22 . A ATOM 349 H HE . ARG A 1 22 ? 10.410 -1.854 -6.160 1.0 1.43 ? 22 ARG A HE 1 22 . A ATOM 350 H HH11 . ARG A 1 22 ? 10.542 1.217 -4.458 1.0 1.53 ? 22 ARG A HH11 1 22 . A ATOM 351 H HH12 . ARG A 1 22 ? 10.269 2.152 -5.891 1.0 1.91 ? 22 ARG A HH12 1 22 . A ATOM 352 H HH21 . ARG A 1 22 ? 10.059 -0.609 -8.020 1.0 2.25 ? 22 ARG A HH21 1 22 . A ATOM 353 H HH22 . ARG A 1 22 ? 9.996 1.118 -7.904 1.0 2.34 ? 22 ARG A HH22 1 22 . A ATOM 354 N N . LYS A 1 23 ? 11.230 -4.709 0.471 1.0 0.54 ? 23 LYS A N 1 23 . A ATOM 355 C CA . LYS A 1 23 ? 11.808 -4.867 1.813 1.0 0.58 ? 23 LYS A CA 1 23 . A ATOM 356 C C . LYS A 1 23 ? 12.119 -6.338 2.114 1.0 0.55 ? 23 LYS A C 1 23 . A ATOM 357 O O . LYS A 1 23 ? 12.976 -6.636 2.952 1.0 0.59 ? 23 LYS A O 1 23 . A ATOM 358 C CB . LYS A 1 23 ? 10.854 -4.315 2.875 1.0 0.76 ? 23 LYS A CB 1 23 . A ATOM 359 C CG . LYS A 1 23 ? 11.007 -2.822 3.121 1.0 0.87 ? 23 LYS A CG 1 23 . A ATOM 360 C CD . LYS A 1 23 ? 10.096 -2.350 4.246 1.0 0.92 ? 23 LYS A CD 1 23 . A ATOM 361 C CE . LYS A 1 23 ? 10.438 -0.936 4.698 1.0 1.04 ? 23 LYS A CE 1 23 . A ATOM 362 N NZ . LYS A 1 23 ? 11.684 -0.892 5.512 1.0 1.28 1 23 LYS A NZ 1 23 . A ATOM 363 H H . LYS A 1 23 ? 10.256 -4.689 0.379 1.0 0.65 ? 23 LYS A H 1 23 . A ATOM 364 H HA . LYS A 1 23 ? 12.728 -4.304 1.843 1.0 0.61 ? 23 LYS A HA 1 23 . A ATOM 365 H HB2 . LYS A 1 23 ? 9.837 -4.502 2.562 1.0 0.93 ? 23 LYS A HB2 1 23 . A ATOM 366 H HB3 . LYS A 1 23 ? 11.034 -4.830 3.807 1.0 0.93 ? 23 LYS A HB3 1 23 . A ATOM 367 H HG2 . LYS A 1 23 ? 12.032 -2.613 3.390 1.0 1.19 ? 23 LYS A HG2 1 23 . A ATOM 368 H HG3 . LYS A 1 23 ? 10.752 -2.290 2.216 1.0 1.25 ? 23 LYS A HG3 1 23 . A ATOM 369 H HD2 . LYS A 1 23 ? 9.074 -2.367 3.898 1.0 1.26 ? 23 LYS A HD2 1 23 . A ATOM 370 H HD3 . LYS A 1 23 ? 10.202 -3.021 5.086 1.0 1.17 ? 23 LYS A HD3 1 23 . A ATOM 371 H HE2 . LYS A 1 23 ? 10.570 -0.315 3.825 1.0 1.4 ? 23 LYS A HE2 1 23 . A ATOM 372 H HE3 . LYS A 1 23 ? 9.617 -0.554 5.288 1.0 1.42 ? 23 LYS A HE3 1 23 . A ATOM 373 H HZ1 . LYS A 1 23 ? 11.571 -1.466 6.372 1.0 1.46 ? 23 LYS A HZ1 1 23 . A ATOM 374 H HZ2 . LYS A 1 23 ? 11.896 0.088 5.790 1.0 1.73 ? 23 LYS A HZ2 1 23 . A ATOM 375 H HZ3 . LYS A 1 23 ? 12.485 -1.264 4.962 1.0 1.85 ? 23 LYS A HZ3 1 23 . A ATOM 376 N N . ARG A 1 24 ? 11.414 -7.244 1.421 1.0 0.6 ? 24 ARG A N 1 24 . A ATOM 377 C CA . ARG A 1 24 ? 11.600 -8.690 1.591 1.0 0.7 ? 24 ARG A CA 1 24 . A ATOM 378 C C . ARG A 1 24 ? 12.649 -9.236 0.613 1.0 0.66 ? 24 ARG A C 1 24 . A ATOM 379 O O . ARG A 1 24 ? 13.353 -10.201 0.929 1.0 0.76 ? 24 ARG A O 1 24 . A ATOM 380 C CB . ARG A 1 24 ? 10.267 -9.417 1.387 1.0 0.89 ? 24 ARG A CB 1 24 . A ATOM 381 C CG . ARG A 1 24 ? 10.087 -10.643 2.272 1.0 1.36 ? 24 ARG A CG 1 24 . A ATOM 382 C CD . ARG A 1 24 ? 8.742 -11.307 2.033 1.0 1.41 ? 24 ARG A CD 1 24 . A ATOM 383 N NE . ARG A 1 24 ? 8.542 -12.475 2.897 1.0 1.42 ? 24 ARG A NE 1 24 . A ATOM 384 C CZ . ARG A 1 24 ? 7.432 -13.227 2.920 1.0 1.54 ? 24 ARG A CZ 1 24 . A ATOM 385 N NH1 . ARG A 1 24 ? 6.396 -12.951 2.129 1.0 1.76 1 24 ARG A NH1 1 24 . A ATOM 386 N NH2 . ARG A 1 24 ? 7.359 -14.262 3.745 1.0 1.78 ? 24 ARG A NH2 1 24 . A ATOM 387 H H . ARG A 1 24 ? 10.747 -6.930 0.777 1.0 0.65 ? 24 ARG A H 1 24 . A ATOM 388 H HA . ARG A 1 24 ? 11.943 -8.863 2.601 1.0 0.76 ? 24 ARG A HA 1 24 . A ATOM 389 H HB2 . ARG A 1 24 ? 9.461 -8.729 1.598 1.0 0.92 ? 24 ARG A HB2 1 24 . A ATOM 390 H HB3 . ARG A 1 24 ? 10.198 -9.730 0.356 1.0 1.17 ? 24 ARG A HB3 1 24 . A ATOM 391 H HG2 . ARG A 1 24 ? 10.871 -11.352 2.052 1.0 1.78 ? 24 ARG A HG2 1 24 . A ATOM 392 H HG3 . ARG A 1 24 ? 10.152 -10.340 3.307 1.0 1.59 ? 24 ARG A HG3 1 24 . A ATOM 393 H HD2 . ARG A 1 24 ? 7.960 -10.588 2.230 1.0 1.52 ? 24 ARG A HD2 1 24 . A ATOM 394 H HD3 . ARG A 1 24 ? 8.688 -11.621 1.001 1.0 1.59 ? 24 ARG A HD3 1 24 . A ATOM 395 H HE . ARG A 1 24 ? 9.279 -12.717 3.497 1.0 1.58 ? 24 ARG A HE 1 24 . A ATOM 396 H HH11 . ARG A 1 24 ? 6.439 -12.172 1.504 1.0 1.84 ? 24 ARG A HH11 1 24 . A ATOM 397 H HH12 . ARG A 1 24 ? 5.577 -13.523 2.161 1.0 2.01 ? 24 ARG A HH12 1 24 . A ATOM 398 H HH21 . ARG A 1 24 ? 8.131 -14.480 4.345 1.0 1.94 ? 24 ARG A HH21 1 24 . A ATOM 399 H HH22 . ARG A 1 24 ? 6.535 -14.827 3.767 1.0 1.96 ? 24 ARG A HH22 1 24 . A ATOM 400 N N . GLN A 1 25 ? 12.744 -8.612 -0.572 1.0 0.59 ? 25 GLN A N 1 25 . A ATOM 401 C CA . GLN A 1 25 ? 13.704 -9.029 -1.603 1.0 0.62 ? 25 GLN A CA 1 25 . A ATOM 402 C C . GLN A 1 25 ? 15.040 -8.290 -1.454 1.0 0.58 ? 25 GLN A C 1 25 . A ATOM 403 O O . GLN A 1 25 ? 16.106 -8.908 -1.545 1.0 0.68 ? 25 GLN A O 1 25 . A ATOM 404 C CB . GLN A 1 25 ? 13.130 -8.793 -3.007 1.0 0.7 ? 25 GLN A CB 1 25 . A ATOM 405 C CG . GLN A 1 25 ? 12.017 -9.765 -3.391 1.0 1.11 ? 25 GLN A CG 1 25 . A ATOM 406 C CD . GLN A 1 25 ? 11.448 -9.517 -4.782 1.0 1.18 ? 25 GLN A CD 1 25 . A ATOM 407 O OE1 . GLN A 1 25 ? 12.157 -9.101 -5.703 1.0 1.5 ? 25 GLN A OE1 1 25 . A ATOM 408 N NE2 . GLN A 1 25 ? 10.154 -9.773 -4.940 1.0 1.28 ? 25 GLN A NE2 1 25 . A ATOM 409 H H . GLN A 1 25 ? 12.152 -7.853 -0.756 1.0 0.59 ? 25 GLN A H 1 25 . A ATOM 410 H HA . GLN A 1 25 ? 13.882 -10.086 -1.474 1.0 0.73 ? 25 GLN A HA 1 25 . A ATOM 411 H HB2 . GLN A 1 25 ? 12.734 -7.790 -3.057 1.0 0.73 ? 25 GLN A HB2 1 25 . A ATOM 412 H HB3 . GLN A 1 25 ? 13.926 -8.891 -3.730 1.0 1.04 ? 25 GLN A HB3 1 25 . A ATOM 413 H HG2 . GLN A 1 25 ? 12.410 -10.770 -3.359 1.0 1.51 ? 25 GLN A HG2 1 25 . A ATOM 414 H HG3 . GLN A 1 25 ? 11.217 -9.672 -2.671 1.0 1.3 ? 25 GLN A HG3 1 25 . A ATOM 415 H HE21 . GLN A 1 25 ? 9.648 -10.101 -4.167 1.0 1.53 ? 25 GLN A HE21 1 25 . A ATOM 416 H HE22 . GLN A 1 25 ? 9.758 -9.624 -5.824 1.0 1.31 ? 25 GLN A HE22 1 25 . A ATOM 417 N N . GLN A 1 26 ? 14.969 -6.972 -1.225 1.0 0.55 ? 26 GLN A N 1 26 . A ATOM 418 C CA . GLN A 1 26 ? 16.167 -6.143 -1.060 1.0 0.64 ? 26 GLN A CA 1 26 . A ATOM 419 C C . GLN A 1 26 ? 16.450 -5.873 0.420 1.0 0.76 ? 26 GLN A C 1 26 . A ATOM 420 O O . GLN A 1 26 ? 17.567 -6.072 0.898 1.0 0.87 ? 26 GLN A O 1 26 . A ATOM 421 C CB . GLN A 1 26 ? 16.019 -4.819 -1.824 1.0 0.78 ? 26 GLN A CB 1 26 . A ATOM 422 C CG . GLN A 1 26 ? 16.148 -4.963 -3.332 1.0 0.82 ? 26 GLN A CG 1 26 . A ATOM 423 C CD . GLN A 1 26 ? 15.982 -3.642 -4.059 1.0 1.06 ? 26 GLN A CD 1 26 . A ATOM 424 O OE1 . GLN A 1 26 ? 14.875 -3.266 -4.441 1.0 1.31 ? 26 GLN A OE1 1 26 . A ATOM 425 N NE2 . GLN A 1 26 ? 17.086 -2.931 -4.254 1.0 1.13 ? 26 GLN A NE2 1 26 . A ATOM 426 H H . GLN A 1 26 ? 14.089 -6.548 -1.166 1.0 0.55 ? 26 GLN A H 1 26 . A ATOM 427 H HA . GLN A 1 26 ? 17.001 -6.691 -1.472 1.0 0.63 ? 26 GLN A HA 1 26 . A ATOM 428 H HB2 . GLN A 1 26 ? 15.048 -4.399 -1.607 1.0 0.84 ? 26 GLN A HB2 1 26 . A ATOM 429 H HB3 . GLN A 1 26 ? 16.781 -4.134 -1.483 1.0 0.89 ? 26 GLN A HB3 1 26 . A ATOM 430 H HG2 . GLN A 1 26 ? 17.124 -5.361 -3.561 1.0 0.8 ? 26 GLN A HG2 1 26 . A ATOM 431 H HG3 . GLN A 1 26 ? 15.389 -5.648 -3.682 1.0 0.78 ? 26 GLN A HG3 1 26 . A ATOM 432 H HE21 . GLN A 1 26 ? 17.935 -3.294 -3.921 1.0 1.11 ? 26 GLN A HE21 1 26 . A ATOM 433 H HE22 . GLN A 1 26 ? 17.009 -2.074 -4.720 1.0 1.29 ? 26 GLN A HE22 1 26 . A HETATM 434 N N . NH2 A 1 27 ? 15.424 -5.418 1.139 1.0 0.84 ? 27 NH2 A N 1 27 . A HETATM 435 H HN1 . NH2 A 1 27 ? 14.565 -5.285 0.686 1.0 0.81 ? 27 NH2 A HN1 1 27 . A HETATM 436 H HN2 . NH2 A 1 27 ? 15.572 -5.234 2.090 1.0 0.97 ? 27 NH2 A HN2 1 27 . A ATOM 437 N N . GLY A 1 1 ? -14.290 7.912 10.255 1.0 2.35 ? 1 GLY A N 2 1 . A ATOM 438 C CA . GLY A 1 1 ? -13.600 8.389 9.024 1.0 1.58 ? 1 GLY A CA 2 1 . A ATOM 439 C C . GLY A 1 1 ? -13.624 7.360 7.912 1.0 1.16 ? 1 GLY A C 2 1 . A ATOM 440 O O . GLY A 1 1 ? -12.577 7.018 7.352 1.0 1.12 ? 1 GLY A O 2 1 . A ATOM 441 H H1 . GLY A 1 1 ? -15.286 7.699 10.046 1.0 2.47 ? 1 GLY A H1 2 1 . A ATOM 442 H H2 . GLY A 1 1 ? -14.251 8.644 10.993 1.0 2.69 ? 1 GLY A H2 2 1 . A ATOM 443 H H3 . GLY A 1 1 ? -13.829 7.051 10.612 1.0 2.71 ? 1 GLY A H3 2 1 . A ATOM 444 H HA2 . GLY A 1 1 ? -14.088 9.289 8.678 1.0 1.5 ? 1 GLY A HA2 2 1 . A ATOM 445 H HA3 . GLY A 1 1 ? -12.573 8.619 9.266 1.0 1.88 ? 1 GLY A HA3 2 1 . A ATOM 446 N N . ILE A 1 2 ? -14.833 6.880 7.580 1.0 1.2 ? 2 ILE A N 2 2 . A ATOM 447 C CA . ILE A 1 2 ? -15.030 5.868 6.523 1.0 1.08 ? 2 ILE A CA 2 2 . A ATOM 448 C C . ILE A 1 2 ? -14.648 6.428 5.142 1.0 1.43 ? 2 ILE A C 2 2 . A ATOM 449 O O . ILE A 1 2 ? -14.024 5.730 4.339 1.0 2.45 ? 2 ILE A O 2 2 . A ATOM 450 C CB . ILE A 1 2 ? -16.500 5.334 6.473 1.0 1.15 ? 2 ILE A CB 2 2 . A ATOM 451 C CG1 . ILE A 1 2 ? -17.107 5.202 7.879 1.0 1.4 ? 2 ILE A CG1 2 2 . A ATOM 452 C CG2 . ILE A 1 2 ? -16.564 3.981 5.766 1.0 1.45 ? 2 ILE A CG2 2 2 . A ATOM 453 C CD1 . ILE A 1 2 ? -17.926 6.402 8.304 1.0 1.69 ? 2 ILE A CD1 2 2 . A ATOM 454 H H . ILE A 1 2 ? -15.618 7.217 8.058 1.0 1.54 ? 2 ILE A H 2 2 . A ATOM 455 H HA . ILE A 1 2 ? -14.378 5.035 6.746 1.0 1.12 ? 2 ILE A HA 2 2 . A ATOM 456 H HB . ILE A 1 2 ? -17.091 6.035 5.901 1.0 1.36 ? 2 ILE A HB 2 2 . A ATOM 457 H HG12 . ILE A 1 2 ? -17.751 4.336 7.905 1.0 1.59 ? 2 ILE A HG12 2 2 . A ATOM 458 H HG13 . ILE A 1 2 ? -16.310 5.072 8.597 1.0 1.58 ? 2 ILE A HG13 2 2 . A ATOM 459 H HG21 . ILE A 1 2 ? -17.587 3.635 5.744 1.0 1.73 ? 2 ILE A HG21 2 2 . A ATOM 460 H HG22 . ILE A 1 2 ? -15.954 3.267 6.299 1.0 1.49 ? 2 ILE A HG22 2 2 . A ATOM 461 H HG23 . ILE A 1 2 ? -16.197 4.085 4.756 1.0 1.68 ? 2 ILE A HG23 2 2 . A ATOM 462 H HD11 . ILE A 1 2 ? -18.789 6.494 7.660 1.0 2.05 ? 2 ILE A HD11 2 2 . A ATOM 463 H HD12 . ILE A 1 2 ? -17.325 7.295 8.228 1.0 1.74 ? 2 ILE A HD12 2 2 . A ATOM 464 H HD13 . ILE A 1 2 ? -18.252 6.272 9.325 1.0 1.76 ? 2 ILE A HD13 2 2 . A ATOM 465 N N . GLY A 1 3 ? -15.015 7.697 4.893 1.0 1.01 ? 3 GLY A N 2 3 . A ATOM 466 C CA . GLY A 1 3 ? -14.712 8.354 3.619 1.0 1.23 ? 3 GLY A CA 2 3 . A ATOM 467 C C . GLY A 1 3 ? -13.229 8.652 3.434 1.0 0.93 ? 3 GLY A C 2 3 . A ATOM 468 O O . GLY A 1 3 ? -12.717 8.591 2.310 1.0 1.16 ? 3 GLY A O 2 3 . A ATOM 469 H H . GLY A 1 3 ? -15.499 8.194 5.585 1.0 1.23 ? 3 GLY A H 2 3 . A ATOM 470 H HA2 . GLY A 1 3 ? -15.039 7.715 2.813 1.0 1.67 ? 3 GLY A HA2 2 3 . A ATOM 471 H HA3 . GLY A 1 3 ? -15.262 9.282 3.570 1.0 1.55 ? 3 GLY A HA3 2 3 . A ATOM 472 N N . ALA A 1 4 ? -12.541 8.963 4.546 1.0 0.96 ? 4 ALA A N 2 4 . A ATOM 473 C CA . ALA A 1 4 ? -11.106 9.268 4.528 1.0 0.91 ? 4 ALA A CA 2 4 . A ATOM 474 C C . ALA A 1 4 ? -10.269 8.004 4.299 1.0 0.91 ? 4 ALA A C 2 4 . A ATOM 475 O O . ALA A 1 4 ? -9.394 7.985 3.426 1.0 1.37 ? 4 ALA A O 2 4 . A ATOM 476 C CB . ALA A 1 4 ? -10.694 9.959 5.823 1.0 1.32 ? 4 ALA A CB 2 4 . A ATOM 477 H H . ALA A 1 4 ? -13.017 8.989 5.402 1.0 1.33 ? 4 ALA A H 2 4 . A ATOM 478 H HA . ALA A 1 4 ? -10.926 9.954 3.712 1.0 1.01 ? 4 ALA A HA 2 4 . A ATOM 479 H HB1 . ALA A 1 4 ? -9.666 10.281 5.749 1.0 1.53 ? 4 ALA A HB1 2 4 . A ATOM 480 H HB2 . ALA A 1 4 ? -10.796 9.269 6.647 1.0 1.55 ? 4 ALA A HB2 2 4 . A ATOM 481 H HB3 . ALA A 1 4 ? -11.329 10.817 5.991 1.0 1.62 ? 4 ALA A HB3 2 4 . A ATOM 482 N N . VAL A 1 5 ? -10.566 6.939 5.069 1.0 0.84 ? 5 VAL A N 2 5 . A ATOM 483 C CA . VAL A 1 5 ? -9.849 5.654 4.949 1.0 0.86 ? 5 VAL A CA 2 5 . A ATOM 484 C C . VAL A 1 5 ? -10.144 4.996 3.587 1.0 0.72 ? 5 VAL A C 2 5 . A ATOM 485 O O . VAL A 1 5 ? -9.304 4.270 3.051 1.0 0.86 ? 5 VAL A O 2 5 . A ATOM 486 C CB . VAL A 1 5 ? -10.206 4.668 6.112 1.0 1.06 ? 5 VAL A CB 2 5 . A ATOM 487 C CG1 . VAL A 1 5 ? -9.338 3.410 6.073 1.0 1.28 ? 5 VAL A CG1 2 5 . A ATOM 488 C CG2 . VAL A 1 5 ? -10.062 5.342 7.473 1.0 1.11 ? 5 VAL A CG2 2 5 . A ATOM 489 H H . VAL A 1 5 ? -11.284 7.020 5.732 1.0 1.11 ? 5 VAL A H 2 5 . A ATOM 490 H HA . VAL A 1 5 ? -8.790 5.868 5.003 1.0 0.96 ? 5 VAL A HA 2 5 . A ATOM 491 H HB . VAL A 1 5 ? -11.237 4.366 5.994 1.0 1.11 ? 5 VAL A HB 2 5 . A ATOM 492 H HG11 . VAL A 1 5 ? -9.570 2.785 6.924 1.0 1.45 ? 5 VAL A HG11 2 5 . A ATOM 493 H HG12 . VAL A 1 5 ? -8.295 3.690 6.107 1.0 1.25 ? 5 VAL A HG12 2 5 . A ATOM 494 H HG13 . VAL A 1 5 ? -9.534 2.864 5.163 1.0 1.33 ? 5 VAL A HG13 2 5 . A ATOM 495 H HG21 . VAL A 1 5 ? -10.748 6.174 7.538 1.0 1.32 ? 5 VAL A HG21 2 5 . A ATOM 496 H HG22 . VAL A 1 5 ? -9.050 5.700 7.592 1.0 1.19 ? 5 VAL A HG22 2 5 . A ATOM 497 H HG23 . VAL A 1 5 ? -10.285 4.629 8.254 1.0 1.46 ? 5 VAL A HG23 2 5 . A ATOM 498 N N . LEU A 1 6 ? -11.332 5.283 3.031 1.0 0.63 ? 6 LEU A N 2 6 . A ATOM 499 C CA . LEU A 1 6 ? -11.747 4.737 1.732 1.0 0.66 ? 6 LEU A CA 2 6 . A ATOM 500 C C . LEU A 1 6 ? -11.040 5.457 0.576 1.0 0.68 ? 6 LEU A C 2 6 . A ATOM 501 O O . LEU A 1 6 ? -10.630 4.818 -0.396 1.0 1.05 ? 6 LEU A O 2 6 . A ATOM 502 C CB . LEU A 1 6 ? -13.273 4.849 1.573 1.0 0.8 ? 6 LEU A CB 2 6 . A ATOM 503 C CG . LEU A 1 6 ? -13.922 3.895 0.556 1.0 0.91 ? 6 LEU A CG 2 6 . A ATOM 504 C CD1 . LEU A 1 6 ? -14.106 2.501 1.148 1.0 1.08 ? 6 LEU A CD1 2 6 . A ATOM 505 C CD2 . LEU A 1 6 ? -15.259 4.453 0.089 1.0 1.13 ? 6 LEU A CD2 2 6 . A ATOM 506 H H . LEU A 1 6 ? -11.946 5.880 3.509 1.0 0.71 ? 6 LEU A H 2 6 . A ATOM 507 H HA . LEU A 1 6 ? -11.469 3.693 1.711 1.0 0.75 ? 6 LEU A HA 2 6 . A ATOM 508 H HB2 . LEU A 1 6 ? -13.725 4.668 2.537 1.0 0.88 ? 6 LEU A HB2 2 6 . A ATOM 509 H HB3 . LEU A 1 6 ? -13.504 5.862 1.276 1.0 0.89 ? 6 LEU A HB3 2 6 . A ATOM 510 H HG . LEU A 1 6 ? -13.278 3.807 -0.307 1.0 1.1 ? 6 LEU A HG 2 6 . A ATOM 511 H HD11 . LEU A 1 6 ? -14.591 1.863 0.424 1.0 1.22 ? 6 LEU A HD11 2 6 . A ATOM 512 H HD12 . LEU A 1 6 ? -14.715 2.565 2.037 1.0 1.49 ? 6 LEU A HD12 2 6 . A ATOM 513 H HD13 . LEU A 1 6 ? -13.141 2.088 1.402 1.0 1.18 ? 6 LEU A HD13 2 6 . A ATOM 514 H HD21 . LEU A 1 6 ? -15.918 4.567 0.937 1.0 1.24 ? 6 LEU A HD21 2 6 . A ATOM 515 H HD22 . LEU A 1 6 ? -15.704 3.775 -0.624 1.0 1.27 ? 6 LEU A HD22 2 6 . A ATOM 516 H HD23 . LEU A 1 6 ? -15.104 5.415 -0.378 1.0 1.31 ? 6 LEU A HD23 2 6 . A ATOM 517 N N . LYS A 1 7 ? -10.886 6.786 0.703 1.0 0.57 ? 7 LYS A N 2 7 . A ATOM 518 C CA . LYS A 1 7 ? -10.228 7.603 -0.331 1.0 0.64 ? 7 LYS A CA 2 7 . A ATOM 519 C C . LYS A 1 7 ? -8.704 7.423 -0.330 1.0 0.66 ? 7 LYS A C 2 7 . A ATOM 520 O O . LYS A 1 7 ? -8.050 7.677 -1.345 1.0 0.74 ? 7 LYS A O 2 7 . A ATOM 521 C CB . LYS A 1 7 ? -10.579 9.083 -0.156 1.0 0.73 ? 7 LYS A CB 2 7 . A ATOM 522 C CG . LYS A 1 7 ? -11.998 9.429 -0.583 1.0 1.05 ? 7 LYS A CG 2 7 . A ATOM 523 C CD . LYS A 1 7 ? -12.174 10.928 -0.781 1.0 1.19 ? 7 LYS A CD 2 7 . A ATOM 524 C CE . LYS A 1 7 ? -13.574 11.273 -1.272 1.0 1.59 ? 7 LYS A CE 2 7 . A ATOM 525 N NZ . LYS A 1 7 ? -13.824 10.784 -2.660 1.0 1.52 1 7 LYS A NZ 2 7 . A ATOM 526 H H . LYS A 1 7 ? -11.225 7.227 1.510 1.0 0.69 ? 7 LYS A H 2 7 . A ATOM 527 H HA . LYS A 1 7 ? -10.605 7.273 -1.287 1.0 0.7 ? 7 LYS A HA 2 7 . A ATOM 528 H HB2 . LYS A 1 7 ? -10.464 9.348 0.885 1.0 0.78 ? 7 LYS A HB2 2 7 . A ATOM 529 H HB3 . LYS A 1 7 ? -9.895 9.675 -0.746 1.0 0.92 ? 7 LYS A HB3 2 7 . A ATOM 530 H HG2 . LYS A 1 7 ? -12.217 8.926 -1.513 1.0 1.52 ? 7 LYS A HG2 2 7 . A ATOM 531 H HG3 . LYS A 1 7 ? -12.685 9.093 0.180 1.0 1.25 ? 7 LYS A HG3 2 7 . A ATOM 532 H HD2 . LYS A 1 7 ? -12.002 11.427 0.161 1.0 1.19 ? 7 LYS A HD2 2 7 . A ATOM 533 H HD3 . LYS A 1 7 ? -11.453 11.271 -1.508 1.0 1.49 ? 7 LYS A HD3 2 7 . A ATOM 534 H HE2 . LYS A 1 7 ? -14.295 10.821 -0.608 1.0 1.94 ? 7 LYS A HE2 2 7 . A ATOM 535 H HE3 . LYS A 1 7 ? -13.692 12.347 -1.252 1.0 2.19 ? 7 LYS A HE3 2 7 . A ATOM 536 H HZ1 . LYS A 1 7 ? -14.787 11.036 -2.961 1.0 2.02 ? 7 LYS A HZ1 2 7 . A ATOM 537 H HZ2 . LYS A 1 7 ? -13.721 9.750 -2.697 1.0 1.72 ? 7 LYS A HZ2 2 7 . A ATOM 538 H HZ3 . LYS A 1 7 ? -13.142 11.212 -3.319 1.0 1.75 ? 7 LYS A HZ3 2 7 . A ATOM 539 N N . VAL A 1 8 ? -8.149 6.988 0.813 1.0 0.65 ? 8 VAL A N 2 8 . A ATOM 540 C CA . VAL A 1 8 ? -6.700 6.748 0.937 1.0 0.75 ? 8 VAL A CA 2 8 . A ATOM 541 C C . VAL A 1 8 ? -6.374 5.281 0.586 1.0 0.73 ? 8 VAL A C 2 8 . A ATOM 542 O O . VAL A 1 8 ? -5.236 4.963 0.227 1.0 1.09 ? 8 VAL A O 2 8 . A ATOM 543 C CB . VAL A 1 8 ? -6.167 7.100 2.367 1.0 0.88 ? 8 VAL A CB 2 8 . A ATOM 544 C CG1 . VAL A 1 8 ? -4.652 6.915 2.476 1.0 0.99 ? 8 VAL A CG1 2 8 . A ATOM 545 C CG2 . VAL A 1 8 ? -6.529 8.532 2.749 1.0 0.86 ? 8 VAL A CG2 2 8 . A ATOM 546 H H . VAL A 1 8 ? -8.725 6.823 1.588 1.0 0.62 ? 8 VAL A H 2 8 . A ATOM 547 H HA . VAL A 1 8 ? -6.201 7.390 0.223 1.0 0.81 ? 8 VAL A HA 2 8 . A ATOM 548 H HB . VAL A 1 8 ? -6.637 6.435 3.076 1.0 0.96 ? 8 VAL A HB 2 8 . A ATOM 549 H HG11 . VAL A 1 8 ? -4.323 7.206 3.463 1.0 1.09 ? 8 VAL A HG11 2 8 . A ATOM 550 H HG12 . VAL A 1 8 ? -4.159 7.531 1.737 1.0 0.94 ? 8 VAL A HG12 2 8 . A ATOM 551 H HG13 . VAL A 1 8 ? -4.402 5.878 2.304 1.0 1.05 ? 8 VAL A HG13 2 8 . A ATOM 552 H HG21 . VAL A 1 8 ? -7.603 8.651 2.722 1.0 1.28 ? 8 VAL A HG21 2 8 . A ATOM 553 H HG22 . VAL A 1 8 ? -6.074 9.218 2.049 1.0 1.02 ? 8 VAL A HG22 2 8 . A ATOM 554 H HG23 . VAL A 1 8 ? -6.168 8.742 3.745 1.0 1.3 ? 8 VAL A HG23 2 8 . A ATOM 555 N N . LEU A 1 9 ? -7.385 4.404 0.686 1.0 0.61 ? 9 LEU A N 2 9 . A ATOM 556 C CA . LEU A 1 9 ? -7.221 2.978 0.378 1.0 0.66 ? 9 LEU A CA 2 9 . A ATOM 557 C C . LEU A 1 9 ? -7.596 2.653 -1.076 1.0 0.63 ? 9 LEU A C 2 9 . A ATOM 558 O O . LEU A 1 9 ? -7.313 1.551 -1.557 1.0 0.8 ? 9 LEU A O 2 9 . A ATOM 559 C CB . LEU A 1 9 ? -8.070 2.133 1.340 1.0 0.82 ? 9 LEU A CB 2 9 . A ATOM 560 C CG . LEU A 1 9 ? -7.315 1.484 2.515 1.0 0.99 ? 9 LEU A CG 2 9 . A ATOM 561 C CD1 . LEU A 1 9 ? -6.879 2.523 3.547 1.0 1.17 ? 9 LEU A CD1 2 9 . A ATOM 562 C CD2 . LEU A 1 9 ? -8.184 0.422 3.172 1.0 1.19 ? 9 LEU A CD2 2 9 . A ATOM 563 H H . LEU A 1 9 ? -8.264 4.728 0.977 1.0 0.78 ? 9 LEU A H 2 9 . A ATOM 564 H HA . LEU A 1 9 ? -6.182 2.730 0.527 1.0 0.73 ? 9 LEU A HA 2 9 . A ATOM 565 H HB2 . LEU A 1 9 ? -8.844 2.766 1.749 1.0 0.84 ? 9 LEU A HB2 2 9 . A ATOM 566 H HB3 . LEU A 1 9 ? -8.541 1.346 0.770 1.0 0.9 ? 9 LEU A HB3 2 9 . A ATOM 567 H HG . LEU A 1 9 ? -6.427 0.999 2.137 1.0 1.16 ? 9 LEU A HG 2 9 . A ATOM 568 H HD11 . LEU A 1 9 ? -6.534 2.022 4.439 1.0 1.48 ? 9 LEU A HD11 2 9 . A ATOM 569 H HD12 . LEU A 1 9 ? -7.715 3.161 3.792 1.0 1.24 ? 9 LEU A HD12 2 9 . A ATOM 570 H HD13 . LEU A 1 9 ? -6.078 3.121 3.140 1.0 1.43 ? 9 LEU A HD13 2 9 . A ATOM 571 H HD21 . LEU A 1 9 ? -9.087 0.878 3.549 1.0 1.29 ? 9 LEU A HD21 2 9 . A ATOM 572 H HD22 . LEU A 1 9 ? -7.642 -0.033 3.988 1.0 1.33 ? 9 LEU A HD22 2 9 . A ATOM 573 H HD23 . LEU A 1 9 ? -8.441 -0.334 2.444 1.0 1.33 ? 9 LEU A HD23 2 9 . A ATOM 574 N N . THR A 1 10 ? -8.224 3.616 -1.769 1.0 0.58 ? 10 THR A N 2 10 . A ATOM 575 C CA . THR A 1 10 ? -8.635 3.433 -3.169 1.0 0.7 ? 10 THR A CA 2 10 . A ATOM 576 C C . THR A 1 10 ? -7.545 3.871 -4.153 1.0 0.7 ? 10 THR A C 2 10 . A ATOM 577 O O . THR A 1 10 ? -7.454 3.329 -5.258 1.0 0.88 ? 10 THR A O 2 10 . A ATOM 578 C CB . THR A 1 10 ? -9.932 4.204 -3.496 1.0 0.82 ? 10 THR A CB 2 10 . A ATOM 579 O OG1 . THR A 1 10 ? -9.905 5.504 -2.893 1.0 0.97 ? 10 THR A OG1 2 10 . A ATOM 580 C CG2 . THR A 1 10 ? -11.159 3.437 -3.022 1.0 1.05 ? 10 THR A CG2 2 10 . A ATOM 581 H H . THR A 1 10 ? -8.414 4.470 -1.327 1.0 0.61 ? 10 THR A H 2 10 . A ATOM 582 H HA . THR A 1 10 ? -8.827 2.380 -3.317 1.0 0.8 ? 10 THR A HA 2 10 . A ATOM 583 H HB . THR A 1 10 ? -9.996 4.321 -4.568 1.0 0.97 ? 10 THR A HB 2 10 . A ATOM 584 H HG1 . THR A 1 10 ? -9.898 6.175 -3.579 1.0 1.15 ? 10 THR A HG1 2 10 . A ATOM 585 H HG21 . THR A 1 10 ? -12.051 3.984 -3.292 1.0 1.35 ? 10 THR A HG21 2 10 . A ATOM 586 H HG22 . THR A 1 10 ? -11.120 3.322 -1.949 1.0 1.45 ? 10 THR A HG22 2 10 . A ATOM 587 H HG23 . THR A 1 10 ? -11.178 2.463 -3.488 1.0 1.46 ? 10 THR A HG23 2 10 . A ATOM 588 N N . THR A 1 11 ? -6.726 4.851 -3.746 1.0 0.59 ? 11 THR A N 2 11 . A ATOM 589 C CA . THR A 1 11 ? -5.642 5.370 -4.590 1.0 0.7 ? 11 THR A CA 2 11 . A ATOM 590 C C . THR A 1 11 ? -4.331 4.617 -4.355 1.0 0.8 ? 11 THR A C 2 11 . A ATOM 591 O O . THR A 1 11 ? -3.657 4.225 -5.313 1.0 1.51 ? 11 THR A O 2 11 . A ATOM 592 C CB . THR A 1 11 ? -5.405 6.879 -4.355 1.0 0.65 ? 11 THR A CB 2 11 . A ATOM 593 O OG1 . THR A 1 11 ? -5.369 7.162 -2.951 1.0 0.51 ? 11 THR A OG1 2 11 . A ATOM 594 C CG2 . THR A 1 11 ? -6.490 7.717 -5.021 1.0 0.76 ? 11 THR A CG2 2 11 . A ATOM 595 H H . THR A 1 11 ? -6.855 5.235 -2.853 1.0 0.51 ? 11 THR A H 2 11 . A ATOM 596 H HA . THR A 1 11 ? -5.937 5.234 -5.621 1.0 0.88 ? 11 THR A HA 2 11 . A ATOM 597 H HB . THR A 1 11 ? -4.452 7.146 -4.789 1.0 0.76 ? 11 THR A HB 2 11 . A ATOM 598 H HG1 . THR A 1 11 ? -5.680 6.397 -2.461 1.0 0.97 ? 11 THR A HG1 2 11 . A ATOM 599 H HG21 . THR A 1 11 ? -6.333 8.759 -4.788 1.0 1.28 ? 11 THR A HG21 2 11 . A ATOM 600 H HG22 . THR A 1 11 ? -7.459 7.408 -4.655 1.0 1.01 ? 11 THR A HG22 2 11 . A ATOM 601 H HG23 . THR A 1 11 ? -6.448 7.577 -6.091 1.0 1.16 ? 11 THR A HG23 2 11 . A ATOM 602 N N . GLY A 1 12 ? -3.981 4.421 -3.078 1.0 0.88 ? 12 GLY A N 2 12 . A ATOM 603 C CA . GLY A 1 12 ? -2.757 3.717 -2.727 1.0 0.94 ? 12 GLY A CA 2 12 . A ATOM 604 C C . GLY A 1 12 ? -3.007 2.273 -2.342 1.0 0.89 ? 12 GLY A C 2 12 . A ATOM 605 O O . GLY A 1 12 ? -3.368 1.985 -1.197 1.0 0.98 ? 12 GLY A O 2 12 . A ATOM 606 H H . GLY A 1 12 ? -4.563 4.762 -2.368 1.0 1.39 ? 12 GLY A H 2 12 . A ATOM 607 H HA2 . GLY A 1 12 ? -2.086 3.742 -3.573 1.0 1.07 ? 12 GLY A HA2 2 12 . A ATOM 608 H HA3 . GLY A 1 12 ? -2.289 4.224 -1.896 1.0 0.97 ? 12 GLY A HA3 2 12 . A ATOM 609 N N . LEU A 1 13 ? -2.815 1.368 -3.307 1.0 0.8 ? 13 LEU A N 2 13 . A ATOM 610 C CA . LEU A 1 13 ? -3.014 -0.065 -3.086 1.0 0.75 ? 13 LEU A CA 2 13 . A ATOM 611 C C . LEU A 1 13 ? -1.758 -0.880 -3.466 1.0 0.67 ? 13 LEU A C 2 13 . A ATOM 612 O O . LEU A 1 13 ? -1.333 -1.721 -2.668 1.0 0.63 ? 13 LEU A O 2 13 . A ATOM 613 C CB . LEU A 1 13 ? -4.240 -0.573 -3.865 1.0 0.84 ? 13 LEU A CB 2 13 . A ATOM 614 C CG . LEU A 1 13 ? -5.122 -1.596 -3.132 1.0 0.93 ? 13 LEU A CG 2 13 . A ATOM 615 C CD1 . LEU A 1 13 ? -6.534 -1.575 -3.696 1.0 1.5 ? 13 LEU A CD1 2 13 . A ATOM 616 C CD2 . LEU A 1 13 ? -4.535 -3.000 -3.240 1.0 1.2 ? 13 LEU A CD2 2 13 . A ATOM 617 H H . LEU A 1 13 ? -2.530 1.675 -4.193 1.0 0.8 ? 13 LEU A H 2 13 . A ATOM 618 H HA . LEU A 1 13 ? -3.196 -0.202 -2.031 1.0 0.77 ? 13 LEU A HA 2 13 . A ATOM 619 H HB2 . LEU A 1 13 ? -4.853 0.278 -4.120 1.0 1.04 ? 13 LEU A HB2 2 13 . A ATOM 620 H HB3 . LEU A 1 13 ? -3.894 -1.030 -4.780 1.0 0.87 ? 13 LEU A HB3 2 13 . A ATOM 621 H HG . LEU A 1 13 ? -5.177 -1.334 -2.085 1.0 1.14 ? 13 LEU A HG 2 13 . A ATOM 622 H HD11 . LEU A 1 13 ? -7.141 -2.300 -3.174 1.0 1.65 ? 13 LEU A HD11 2 13 . A ATOM 623 H HD12 . LEU A 1 13 ? -6.505 -1.819 -4.747 1.0 1.79 ? 13 LEU A HD12 2 13 . A ATOM 624 H HD13 . LEU A 1 13 ? -6.959 -0.591 -3.566 1.0 1.82 ? 13 LEU A HD13 2 13 . A ATOM 625 H HD21 . LEU A 1 13 ? -4.445 -3.273 -4.281 1.0 1.54 ? 13 LEU A HD21 2 13 . A ATOM 626 H HD22 . LEU A 1 13 ? -5.185 -3.702 -2.738 1.0 1.48 ? 13 LEU A HD22 2 13 . A ATOM 627 H HD23 . LEU A 1 13 ? -3.559 -3.019 -2.778 1.0 1.47 ? 13 LEU A HD23 2 13 . A ATOM 628 N N . PRO A 1 14 ? -1.130 -0.668 -4.677 1.0 0.71 ? 14 PRO A N 2 14 . A ATOM 629 C CA . PRO A 1 14 ? 0.077 -1.419 -5.086 1.0 0.73 ? 14 PRO A CA 2 14 . A ATOM 630 C C . PRO A 1 14 ? 1.368 -0.896 -4.437 1.0 0.75 ? 14 PRO A C 2 14 . A ATOM 631 O O . PRO A 1 14 ? 2.436 -1.498 -4.596 1.0 0.92 ? 14 PRO A O 2 14 . A ATOM 632 C CB . PRO A 1 14 ? 0.136 -1.220 -6.614 1.0 0.85 ? 14 PRO A CB 2 14 . A ATOM 633 C CG . PRO A 1 14 ? -1.098 -0.459 -6.986 1.0 0.91 ? 14 PRO A CG 2 14 . A ATOM 634 C CD . PRO A 1 14 ? -1.517 0.277 -5.749 1.0 0.81 ? 14 PRO A CD 2 14 . A ATOM 635 H HA . PRO A 1 14 ? -0.026 -2.472 -4.864 1.0 0.7 ? 14 PRO A HA 2 14 . A ATOM 636 H HB2 . PRO A 1 14 ? 1.027 -0.659 -6.872 1.0 0.9 ? 14 PRO A HB2 2 14 . A ATOM 637 H HB3 . PRO A 1 14 ? 0.146 -2.177 -7.112 1.0 0.93 ? 14 PRO A HB3 2 14 . A ATOM 638 H HG2 . PRO A 1 14 ? -0.876 0.237 -7.785 1.0 1.08 ? 14 PRO A HG2 2 14 . A ATOM 639 H HG3 . PRO A 1 14 ? -1.877 -1.142 -7.289 1.0 1.01 ? 14 PRO A HG3 2 14 . A ATOM 640 H HD2 . PRO A 1 14 ? -0.976 1.209 -5.661 1.0 0.9 ? 14 PRO A HD2 2 14 . A ATOM 641 H HD3 . PRO A 1 14 ? -2.581 0.452 -5.749 1.0 0.84 ? 14 PRO A HD3 2 14 . A ATOM 642 N N . ALA A 1 15 ? 1.254 0.220 -3.696 1.0 0.67 ? 15 ALA A N 2 15 . A ATOM 643 C CA . ALA A 1 15 ? 2.399 0.843 -3.017 1.0 0.73 ? 15 ALA A CA 2 15 . A ATOM 644 C C . ALA A 1 15 ? 2.859 0.026 -1.806 1.0 0.73 ? 15 ALA A C 2 15 . A ATOM 645 O O . ALA A 1 15 ? 4.062 -0.103 -1.560 1.0 0.88 ? 15 ALA A O 2 15 . A ATOM 646 C CB . ALA A 1 15 ? 2.047 2.262 -2.592 1.0 0.8 ? 15 ALA A CB 2 15 . A ATOM 647 H H . ALA A 1 15 ? 0.371 0.634 -3.602 1.0 0.63 ? 15 ALA A H 2 15 . A ATOM 648 H HA . ALA A 1 15 ? 3.212 0.900 -3.726 1.0 0.77 ? 15 ALA A HA 2 15 . A ATOM 649 H HB1 . ALA A 1 15 ? 1.728 2.828 -3.454 1.0 0.79 ? 15 ALA A HB1 2 15 . A ATOM 650 H HB2 . ALA A 1 15 ? 2.915 2.732 -2.153 1.0 0.92 ? 15 ALA A HB2 2 15 . A ATOM 651 H HB3 . ALA A 1 15 ? 1.248 2.232 -1.866 1.0 0.78 ? 15 ALA A HB3 2 15 . A ATOM 652 N N . LEU A 1 16 ? 1.891 -0.536 -1.066 1.0 0.64 ? 16 LEU A N 2 16 . A ATOM 653 C CA . LEU A 1 16 ? 2.179 -1.356 0.118 1.0 0.67 ? 16 LEU A CA 2 16 . A ATOM 654 C C . LEU A 1 16 ? 2.751 -2.721 -0.286 1.0 0.63 ? 16 LEU A C 2 16 . A ATOM 655 O O . LEU A 1 16 ? 3.630 -3.260 0.395 1.0 0.76 ? 16 LEU A O 2 16 . A ATOM 656 C CB . LEU A 1 16 ? 0.905 -1.541 0.954 1.0 0.75 ? 16 LEU A CB 2 16 . A ATOM 657 C CG . LEU A 1 16 ? 1.124 -1.740 2.460 1.0 0.96 ? 16 LEU A CG 2 16 . A ATOM 658 C CD1 . LEU A 1 16 ? 1.173 -0.400 3.185 1.0 1.2 ? 16 LEU A CD1 2 16 . A ATOM 659 C CD2 . LEU A 1 16 ? 0.030 -2.622 3.043 1.0 1.23 ? 16 LEU A CD2 2 16 . A ATOM 660 H H . LEU A 1 16 ? 0.957 -0.393 -1.325 1.0 0.63 ? 16 LEU A H 2 16 . A ATOM 661 H HA . LEU A 1 16 ? 2.915 -0.833 0.710 1.0 0.72 ? 16 LEU A HA 2 16 . A ATOM 662 H HB2 . LEU A 1 16 ? 0.282 -0.669 0.816 1.0 0.81 ? 16 LEU A HB2 2 16 . A ATOM 663 H HB3 . LEU A 1 16 ? 0.375 -2.402 0.575 1.0 0.95 ? 16 LEU A HB3 2 16 . A ATOM 664 H HG . LEU A 1 16 ? 2.071 -2.236 2.615 1.0 1.21 ? 16 LEU A HG 2 16 . A ATOM 665 H HD11 . LEU A 1 16 ? 1.319 -0.568 4.242 1.0 1.66 ? 16 LEU A HD11 2 16 . A ATOM 666 H HD12 . LEU A 1 16 ? 0.244 0.128 3.029 1.0 1.38 ? 16 LEU A HD12 2 16 . A ATOM 667 H HD13 . LEU A 1 16 ? 1.991 0.189 2.797 1.0 1.32 ? 16 LEU A HD13 2 16 . A ATOM 668 H HD21 . LEU A 1 16 ? -0.934 -2.173 2.855 1.0 1.24 ? 16 LEU A HD21 2 16 . A ATOM 669 H HD22 . LEU A 1 16 ? 0.179 -2.723 4.108 1.0 1.49 ? 16 LEU A HD22 2 16 . A ATOM 670 H HD23 . LEU A 1 16 ? 0.069 -3.598 2.581 1.0 1.81 ? 16 LEU A HD23 2 16 . A ATOM 671 N N . ILE A 1 17 ? 2.254 -3.254 -1.417 1.0 0.53 ? 17 ILE A N 2 17 . A ATOM 672 C CA . ILE A 1 17 ? 2.704 -4.549 -1.957 1.0 0.52 ? 17 ILE A CA 2 17 . A ATOM 673 C C . ILE A 1 17 ? 4.134 -4.422 -2.518 1.0 0.53 ? 17 ILE A C 2 17 . A ATOM 674 O O . ILE A 1 17 ? 4.947 -5.344 -2.385 1.0 0.63 ? 17 ILE A O 2 17 . A ATOM 675 C CB . ILE A 1 17 ? 1.745 -5.087 -3.077 1.0 0.54 ? 17 ILE A CB 2 17 . A ATOM 676 C CG1 . ILE A 1 17 ? 0.239 -4.854 -2.742 1.0 0.6 ? 17 ILE A CG1 2 17 . A ATOM 677 C CG2 . ILE A 1 17 ? 2.005 -6.573 -3.366 1.0 0.58 ? 17 ILE A CG2 2 17 . A ATOM 678 C CD1 . ILE A 1 17 ? -0.251 -5.425 -1.410 1.0 0.64 ? 17 ILE A CD1 2 17 . A ATOM 679 H H . ILE A 1 17 ? 1.562 -2.758 -1.904 1.0 0.54 ? 17 ILE A H 2 17 . A ATOM 680 H HA . ILE A 1 17 ? 2.709 -5.261 -1.145 1.0 0.55 ? 17 ILE A HA 2 17 . A ATOM 681 H HB . ILE A 1 17 ? 1.978 -4.545 -3.982 1.0 0.55 ? 17 ILE A HB 2 17 . A ATOM 682 H HG12 . ILE A 1 17 ? 0.050 -3.793 -2.722 1.0 0.61 ? 17 ILE A HG12 2 17 . A ATOM 683 H HG13 . ILE A 1 17 ? -0.359 -5.297 -3.526 1.0 0.64 ? 17 ILE A HG13 2 17 . A ATOM 684 H HG21 . ILE A 1 17 ? 1.288 -6.929 -4.092 1.0 1.05 ? 17 ILE A HG21 2 17 . A ATOM 685 H HG22 . ILE A 1 17 ? 1.905 -7.141 -2.453 1.0 1.42 ? 17 ILE A HG22 2 17 . A ATOM 686 H HG23 . ILE A 1 17 ? 3.004 -6.693 -3.757 1.0 1.01 ? 17 ILE A HG23 2 17 . A ATOM 687 H HD11 . ILE A 1 17 ? -0.070 -6.489 -1.387 1.0 1.2 ? 17 ILE A HD11 2 17 . A ATOM 688 H HD12 . ILE A 1 17 ? -1.310 -5.238 -1.306 1.0 1.2 ? 17 ILE A HD12 2 17 . A ATOM 689 H HD13 . ILE A 1 17 ? 0.280 -4.951 -0.598 1.0 1.23 ? 17 ILE A HD13 2 17 . A ATOM 690 N N . SER A 1 18 ? 4.423 -3.259 -3.130 1.0 0.53 ? 18 SER A N 2 18 . A ATOM 691 C CA . SER A 1 18 ? 5.745 -2.972 -3.703 1.0 0.6 ? 18 SER A CA 2 18 . A ATOM 692 C C . SER A 1 18 ? 6.777 -2.672 -2.607 1.0 0.59 ? 18 SER A C 2 18 . A ATOM 693 O O . SER A 1 18 ? 7.969 -2.946 -2.780 1.0 0.88 ? 18 SER A O 2 18 . A ATOM 694 C CB . SER A 1 18 ? 5.659 -1.791 -4.672 1.0 0.73 ? 18 SER A CB 2 18 . A ATOM 695 O OG . SER A 1 18 ? 4.800 -2.083 -5.760 1.0 0.8 ? 18 SER A OG 2 18 . A ATOM 696 H H . SER A 1 18 ? 3.724 -2.576 -3.197 1.0 0.57 ? 18 SER A H 2 18 . A ATOM 697 H HA . SER A 1 18 ? 6.064 -3.848 -4.249 1.0 0.63 ? 18 SER A HA 2 18 . A ATOM 698 H HB2 . SER A 1 18 ? 5.275 -0.928 -4.149 1.0 0.74 ? 18 SER A HB2 2 18 . A ATOM 699 H HB3 . SER A 1 18 ? 6.644 -1.571 -5.056 1.0 0.81 ? 18 SER A HB3 2 18 . A ATOM 700 H HG . SER A 1 18 ? 3.888 -2.079 -5.459 1.0 1.1 ? 18 SER A HG 2 18 . A ATOM 701 N N . TRP A 1 19 ? 6.301 -2.112 -1.479 1.0 0.49 ? 19 TRP A N 2 19 . A ATOM 702 C CA . TRP A 1 19 ? 7.163 -1.784 -0.334 1.0 0.54 ? 19 TRP A CA 2 19 . A ATOM 703 C C . TRP A 1 19 ? 7.542 -3.043 0.453 1.0 0.5 ? 19 TRP A C 2 19 . A ATOM 704 O O . TRP A 1 19 ? 8.672 -3.159 0.939 1.0 0.59 ? 19 TRP A O 2 19 . A ATOM 705 C CB . TRP A 1 19 ? 6.474 -0.778 0.590 1.0 0.68 ? 19 TRP A CB 2 19 . A ATOM 706 C CG . TRP A 1 19 ? 6.885 0.644 0.335 1.0 0.62 ? 19 TRP A CG 2 19 . A ATOM 707 C CD1 . TRP A 1 19 ? 6.289 1.533 -0.514 1.0 0.96 ? 19 TRP A CD1 2 19 . A ATOM 708 C CD2 . TRP A 1 19 ? 7.983 1.350 0.923 1.0 0.63 ? 19 TRP A CD2 2 19 . A ATOM 709 N NE1 . TRP A 1 19 ? 6.950 2.743 -0.485 1.0 1.09 ? 19 TRP A NE1 2 19 . A ATOM 710 C CE2 . TRP A 1 19 ? 7.999 2.670 0.396 1.0 0.9 ? 19 TRP A CE2 2 19 . A ATOM 711 C CE3 . TRP A 1 19 ? 8.989 1.024 1.863 1.0 0.84 ? 19 TRP A CE3 2 19 . A ATOM 712 C CZ2 . TRP A 1 19 ? 8.939 3.658 0.748 1.0 1.16 ? 19 TRP A CZ2 2 19 . A ATOM 713 C CZ3 . TRP A 1 19 ? 9.932 1.979 2.220 1.0 1.15 ? 19 TRP A CZ3 2 19 . A ATOM 714 C CH2 . TRP A 1 19 ? 9.917 3.298 1.672 1.0 1.24 ? 19 TRP A CH2 2 19 . A ATOM 715 H H . TRP A 1 19 ? 5.343 -1.914 -1.420 1.0 0.6 ? 19 TRP A H 2 19 . A ATOM 716 H HA . TRP A 1 19 ? 8.067 -1.338 -0.723 1.0 0.59 ? 19 TRP A HA 2 19 . A ATOM 717 H HB2 . TRP A 1 19 ? 5.405 -0.845 0.452 1.0 0.97 ? 19 TRP A HB2 2 19 . A ATOM 718 H HB3 . TRP A 1 19 ? 6.715 -1.017 1.616 1.0 0.79 ? 19 TRP A HB3 2 19 . A ATOM 719 H HD1 . TRP A 1 19 ? 5.424 1.305 -1.120 1.0 1.22 ? 19 TRP A HD1 2 19 . A ATOM 720 H HE1 . TRP A 1 19 ? 6.708 3.537 -1.007 1.0 1.4 ? 19 TRP A HE1 2 19 . A ATOM 721 H HE3 . TRP A 1 19 ? 9.034 0.032 2.287 1.0 0.96 ? 19 TRP A HE3 2 19 . A ATOM 722 H HZ2 . TRP A 1 19 ? 8.913 4.644 0.307 1.0 1.42 ? 19 TRP A HZ2 2 19 . A ATOM 723 H HZ3 . TRP A 1 19 ? 10.692 1.722 2.941 1.0 1.44 ? 19 TRP A HZ3 2 19 . A ATOM 724 H HH2 . TRP A 1 19 ? 10.661 4.019 1.980 1.0 1.52 ? 19 TRP A HH2 2 19 . A ATOM 725 N N . ILE A 1 20 ? 6.588 -3.988 0.563 1.0 0.52 ? 20 ILE A N 2 20 . A ATOM 726 C CA . ILE A 1 20 ? 6.823 -5.260 1.274 1.0 0.56 ? 20 ILE A CA 2 20 . A ATOM 727 C C . ILE A 1 20 ? 7.669 -6.219 0.420 1.0 0.59 ? 20 ILE A C 2 20 . A ATOM 728 O O . ILE A 1 20 ? 8.448 -7.013 0.956 1.0 0.75 ? 20 ILE A O 2 20 . A ATOM 729 C CB . ILE A 1 20 ? 5.501 -5.964 1.717 1.0 0.71 ? 20 ILE A CB 2 20 . A ATOM 730 C CG1 . ILE A 1 20 ? 4.521 -6.160 0.546 1.0 0.93 ? 20 ILE A CG1 2 20 . A ATOM 731 C CG2 . ILE A 1 20 ? 4.830 -5.181 2.838 1.0 1.12 ? 20 ILE A CG2 2 20 . A ATOM 732 C CD1 . ILE A 1 20 ? 4.567 -7.549 -0.057 1.0 1.33 ? 20 ILE A CD1 2 20 . A ATOM 733 H H . ILE A 1 20 ? 5.711 -3.825 0.159 1.0 0.58 ? 20 ILE A H 2 20 . A ATOM 734 H HA . ILE A 1 20 ? 7.386 -5.024 2.167 1.0 0.57 ? 20 ILE A HA 2 20 . A ATOM 735 H HB . ILE A 1 20 ? 5.765 -6.934 2.113 1.0 1.0 ? 20 ILE A HB 2 20 . A ATOM 736 H HG12 . ILE A 1 20 ? 3.514 -5.983 0.893 1.0 1.04 ? 20 ILE A HG12 2 20 . A ATOM 737 H HG13 . ILE A 1 20 ? 4.760 -5.451 -0.233 1.0 1.17 ? 20 ILE A HG13 2 20 . A ATOM 738 H HG21 . ILE A 1 20 ? 5.498 -5.120 3.684 1.0 1.42 ? 20 ILE A HG21 2 20 . A ATOM 739 H HG22 . ILE A 1 20 ? 3.920 -5.682 3.132 1.0 1.21 ? 20 ILE A HG22 2 20 . A ATOM 740 H HG23 . ILE A 1 20 ? 4.597 -4.185 2.491 1.0 1.32 ? 20 ILE A HG23 2 20 . A ATOM 741 H HD11 . ILE A 1 20 ? 3.942 -7.580 -0.937 1.0 1.7 ? 20 ILE A HD11 2 20 . A ATOM 742 H HD12 . ILE A 1 20 ? 4.207 -8.266 0.666 1.0 1.35 ? 20 ILE A HD12 2 20 . A ATOM 743 H HD13 . ILE A 1 20 ? 5.584 -7.790 -0.327 1.0 1.51 ? 20 ILE A HD13 2 20 . A ATOM 744 N N . LYS A 1 21 ? 7.504 -6.122 -0.913 1.0 0.54 ? 21 LYS A N 2 21 . A ATOM 745 C CA . LYS A 1 21 ? 8.257 -6.951 -1.866 1.0 0.66 ? 21 LYS A CA 2 21 . A ATOM 746 C C . LYS A 1 21 ? 9.698 -6.451 -2.012 1.0 0.6 ? 21 LYS A C 2 21 . A ATOM 747 O O . LYS A 1 21 ? 10.621 -7.250 -2.197 1.0 0.7 ? 21 LYS A O 2 21 . A ATOM 748 C CB . LYS A 1 21 ? 7.570 -6.959 -3.234 1.0 0.79 ? 21 LYS A CB 2 21 . A ATOM 749 C CG . LYS A 1 21 ? 6.382 -7.904 -3.318 1.0 1.01 ? 21 LYS A CG 2 21 . A ATOM 750 C CD . LYS A 1 21 ? 5.817 -7.963 -4.729 1.0 1.03 ? 21 LYS A CD 2 21 . A ATOM 751 C CE . LYS A 1 21 ? 4.728 -9.017 -4.850 1.0 1.13 ? 21 LYS A CE 2 21 . A ATOM 752 N NZ . LYS A 1 21 ? 4.153 -9.066 -6.223 1.0 1.58 1 21 LYS A NZ 2 21 . A ATOM 753 H H . LYS A 1 21 ? 6.855 -5.476 -1.261 1.0 0.52 ? 21 LYS A H 2 21 . A ATOM 754 H HA . LYS A 1 21 ? 8.279 -7.959 -1.479 1.0 0.75 ? 21 LYS A HA 2 21 . A ATOM 755 H HB2 . LYS A 1 21 ? 7.223 -5.960 -3.455 1.0 1.0 ? 21 LYS A HB2 2 21 . A ATOM 756 H HB3 . LYS A 1 21 ? 8.290 -7.253 -3.983 1.0 0.9 ? 21 LYS A HB3 2 21 . A ATOM 757 H HG2 . LYS A 1 21 ? 6.700 -8.894 -3.027 1.0 1.29 ? 21 LYS A HG2 2 21 . A ATOM 758 H HG3 . LYS A 1 21 ? 5.611 -7.559 -2.646 1.0 1.39 ? 21 LYS A HG3 2 21 . A ATOM 759 H HD2 . LYS A 1 21 ? 5.401 -6.999 -4.979 1.0 1.28 ? 21 LYS A HD2 2 21 . A ATOM 760 H HD3 . LYS A 1 21 ? 6.615 -8.203 -5.416 1.0 1.06 ? 21 LYS A HD3 2 21 . A ATOM 761 H HE2 . LYS A 1 21 ? 5.150 -9.982 -4.612 1.0 1.11 ? 21 LYS A HE2 2 21 . A ATOM 762 H HE3 . LYS A 1 21 ? 3.941 -8.786 -4.147 1.0 1.19 ? 21 LYS A HE3 2 21 . A ATOM 763 H HZ1 . LYS A 1 21 ? 3.429 -9.811 -6.281 1.0 1.84 ? 21 LYS A HZ1 2 21 . A ATOM 764 H HZ2 . LYS A 1 21 ? 4.901 -9.271 -6.916 1.0 1.52 ? 21 LYS A HZ2 2 21 . A ATOM 765 H HZ3 . LYS A 1 21 ? 3.716 -8.153 -6.461 1.0 2.1 ? 21 LYS A HZ3 2 21 . A ATOM 766 N N . ARG A 1 22 ? 9.877 -5.121 -1.918 1.0 0.56 ? 22 ARG A N 2 22 . A ATOM 767 C CA . ARG A 1 22 ? 11.203 -4.495 -2.017 1.0 0.56 ? 22 ARG A CA 2 22 . A ATOM 768 C C . ARG A 1 22 ? 11.968 -4.598 -0.690 1.0 0.52 ? 22 ARG A C 2 22 . A ATOM 769 O O . ARG A 1 22 ? 13.202 -4.580 -0.678 1.0 0.66 ? 22 ARG A O 2 22 . A ATOM 770 C CB . ARG A 1 22 ? 11.078 -3.027 -2.437 1.0 0.63 ? 22 ARG A CB 2 22 . A ATOM 771 C CG . ARG A 1 22 ? 10.814 -2.836 -3.923 1.0 0.92 ? 22 ARG A CG 2 22 . A ATOM 772 C CD . ARG A 1 22 ? 10.849 -1.367 -4.312 1.0 1.04 ? 22 ARG A CD 2 22 . A ATOM 773 N NE . ARG A 1 22 ? 10.737 -1.178 -5.763 1.0 1.25 ? 22 ARG A NE 2 22 . A ATOM 774 C CZ . ARG A 1 22 ? 11.219 -0.122 -6.435 1.0 1.56 ? 22 ARG A CZ 2 22 . A ATOM 775 N NH1 . ARG A 1 22 ? 11.855 0.865 -5.805 1.0 1.61 1 22 ARG A NH1 2 22 . A ATOM 776 N NH2 . ARG A 1 22 ? 11.062 -0.056 -7.750 1.0 2.06 ? 22 ARG A NH2 2 22 . A ATOM 777 H H . ARG A 1 22 ? 9.094 -4.548 -1.779 1.0 0.61 ? 22 ARG A H 2 22 . A ATOM 778 H HA . ARG A 1 22 ? 11.759 -5.027 -2.775 1.0 0.67 ? 22 ARG A HA 2 22 . A ATOM 779 H HB2 . ARG A 1 22 ? 10.265 -2.575 -1.888 1.0 0.98 ? 22 ARG A HB2 2 22 . A ATOM 780 H HB3 . ARG A 1 22 ? 11.996 -2.514 -2.188 1.0 0.82 ? 22 ARG A HB3 2 22 . A ATOM 781 H HG2 . ARG A 1 22 ? 11.570 -3.365 -4.484 1.0 1.19 ? 22 ARG A HG2 2 22 . A ATOM 782 H HG3 . ARG A 1 22 ? 9.840 -3.239 -4.160 1.0 1.48 ? 22 ARG A HG3 2 22 . A ATOM 783 H HD2 . ARG A 1 22 ? 10.027 -0.860 -3.829 1.0 1.28 ? 22 ARG A HD2 2 22 . A ATOM 784 H HD3 . ARG A 1 22 ? 11.782 -0.941 -3.974 1.0 1.34 ? 22 ARG A HD3 2 22 . A ATOM 785 H HE . ARG A 1 22 ? 10.277 -1.879 -6.270 1.0 1.43 ? 22 ARG A HE 2 22 . A ATOM 786 H HH11 . ARG A 1 22 ? 11.981 0.826 -4.814 1.0 1.53 ? 22 ARG A HH11 2 22 . A ATOM 787 H HH12 . ARG A 1 22 ? 12.207 1.644 -6.324 1.0 1.91 ? 22 ARG A HH12 2 22 . A ATOM 788 H HH21 . ARG A 1 22 ? 10.588 -0.791 -8.235 1.0 2.25 ? 22 ARG A HH21 2 22 . A ATOM 789 H HH22 . ARG A 1 22 ? 11.419 0.729 -8.258 1.0 2.34 ? 22 ARG A HH22 2 22 . A ATOM 790 N N . LYS A 1 23 ? 11.220 -4.708 0.420 1.0 0.54 ? 23 LYS A N 2 23 . A ATOM 791 C CA . LYS A 1 23 ? 11.809 -4.837 1.759 1.0 0.58 ? 23 LYS A CA 2 23 . A ATOM 792 C C . LYS A 1 23 ? 12.136 -6.299 2.086 1.0 0.55 ? 23 LYS A C 2 23 . A ATOM 793 O O . LYS A 1 23 ? 13.016 -6.573 2.907 1.0 0.59 ? 23 LYS A O 2 23 . A ATOM 794 C CB . LYS A 1 23 ? 10.861 -4.274 2.821 1.0 0.76 ? 23 LYS A CB 2 23 . A ATOM 795 C CG . LYS A 1 23 ? 11.117 -2.814 3.157 1.0 0.87 ? 23 LYS A CG 2 23 . A ATOM 796 C CD . LYS A 1 23 ? 10.209 -2.336 4.281 1.0 0.92 ? 23 LYS A CD 2 23 . A ATOM 797 C CE . LYS A 1 23 ? 10.632 -0.971 4.804 1.0 1.04 ? 23 LYS A CE 2 23 . A ATOM 798 N NZ . LYS A 1 23 ? 11.844 -1.051 5.667 1.0 1.28 1 23 LYS A NZ 2 23 . A ATOM 799 H H . LYS A 1 23 ? 10.244 -4.702 0.333 1.0 0.65 ? 23 LYS A H 2 23 . A ATOM 800 H HA . LYS A 1 23 ? 12.726 -4.267 1.771 1.0 0.61 ? 23 LYS A HA 2 23 . A ATOM 801 H HB2 . LYS A 1 23 ? 9.846 -4.367 2.465 1.0 0.93 ? 23 LYS A HB2 2 23 . A ATOM 802 H HB3 . LYS A 1 23 ? 10.970 -4.853 3.726 1.0 0.93 ? 23 LYS A HB3 2 23 . A ATOM 803 H HG2 . LYS A 1 23 ? 12.146 -2.700 3.465 1.0 1.19 ? 23 LYS A HG2 2 23 . A ATOM 804 H HG3 . LYS A 1 23 ? 10.934 -2.215 2.278 1.0 1.25 ? 23 LYS A HG3 2 23 . A ATOM 805 H HD2 . LYS A 1 23 ? 9.198 -2.269 3.909 1.0 1.26 ? 23 LYS A HD2 2 23 . A ATOM 806 H HD3 . LYS A 1 23 ? 10.250 -3.050 5.091 1.0 1.17 ? 23 LYS A HD3 2 23 . A ATOM 807 H HE2 . LYS A 1 23 ? 10.845 -0.330 3.963 1.0 1.4 ? 23 LYS A HE2 2 23 . A ATOM 808 H HE3 . LYS A 1 23 ? 9.818 -0.551 5.378 1.0 1.42 ? 23 LYS A HE3 2 23 . A ATOM 809 H HZ1 . LYS A 1 23 ? 11.658 -1.661 6.489 1.0 1.46 ? 23 LYS A HZ1 2 23 . A ATOM 810 H HZ2 . LYS A 1 23 ? 12.106 -0.103 6.006 1.0 1.73 ? 23 LYS A HZ2 2 23 . A ATOM 811 H HZ3 . LYS A 1 23 ? 12.641 -1.446 5.129 1.0 1.85 ? 23 LYS A HZ3 2 23 . A ATOM 812 N N . ARG A 1 24 ? 11.419 -7.226 1.433 1.0 0.6 ? 24 ARG A N 2 24 . A ATOM 813 C CA . ARG A 1 24 ? 11.620 -8.665 1.637 1.0 0.7 ? 24 ARG A CA 2 24 . A ATOM 814 C C . ARG A 1 24 ? 12.654 -9.231 0.653 1.0 0.66 ? 24 ARG A C 2 24 . A ATOM 815 O O . ARG A 1 24 ? 13.358 -10.193 0.976 1.0 0.76 ? 24 ARG A O 2 24 . A ATOM 816 C CB . ARG A 1 24 ? 10.288 -9.407 1.483 1.0 0.89 ? 24 ARG A CB 2 24 . A ATOM 817 C CG . ARG A 1 24 ? 10.138 -10.607 2.408 1.0 1.36 ? 24 ARG A CG 2 24 . A ATOM 818 C CD . ARG A 1 24 ? 8.796 -11.294 2.214 1.0 1.41 ? 24 ARG A CD 2 24 . A ATOM 819 N NE . ARG A 1 24 ? 8.600 -12.396 3.161 1.0 1.42 ? 24 ARG A NE 2 24 . A ATOM 820 C CZ . ARG A 1 24 ? 7.547 -13.227 3.157 1.0 1.54 ? 24 ARG A CZ 2 24 . A ATOM 821 N NH1 . ARG A 1 24 ? 6.573 -13.101 2.258 1.0 1.76 1 24 ARG A NH1 2 24 . A ATOM 822 N NH2 . ARG A 1 24 ? 7.470 -14.189 4.065 1.0 1.78 ? 24 ARG A NH2 2 24 . A ATOM 823 H H . ARG A 1 24 ? 10.734 -6.931 0.798 1.0 0.65 ? 24 ARG A H 2 24 . A ATOM 824 H HA . ARG A 1 24 ? 11.985 -8.807 2.643 1.0 0.76 ? 24 ARG A HA 2 24 . A ATOM 825 H HB2 . ARG A 1 24 ? 9.482 -8.719 1.690 1.0 0.92 ? 24 ARG A HB2 2 24 . A ATOM 826 H HB3 . ARG A 1 24 ? 10.199 -9.753 0.464 1.0 1.17 ? 24 ARG A HB3 2 24 . A ATOM 827 H HG2 . ARG A 1 24 ? 10.926 -11.314 2.196 1.0 1.78 ? 24 ARG A HG2 2 24 . A ATOM 828 H HG3 . ARG A 1 24 ? 10.217 -10.272 3.432 1.0 1.59 ? 24 ARG A HG3 2 24 . A ATOM 829 H HD2 . ARG A 1 24 ? 8.010 -10.566 2.356 1.0 1.52 ? 24 ARG A HD2 2 24 . A ATOM 830 H HD3 . ARG A 1 24 ? 8.747 -11.683 1.208 1.0 1.59 ? 24 ARG A HD3 2 24 . A ATOM 831 H HE . ARG A 1 24 ? 9.292 -12.529 3.842 1.0 1.58 ? 24 ARG A HE 2 24 . A ATOM 832 H HH11 . ARG A 1 24 ? 6.619 -12.377 1.569 1.0 1.84 ? 24 ARG A HH11 2 24 . A ATOM 833 H HH12 . ARG A 1 24 ? 5.796 -13.730 2.271 1.0 2.01 ? 24 ARG A HH12 2 24 . A ATOM 834 H HH21 . ARG A 1 24 ? 8.193 -14.292 4.747 1.0 1.94 ? 24 ARG A HH21 2 24 . A ATOM 835 H HH22 . ARG A 1 24 ? 6.687 -14.812 4.068 1.0 1.96 ? 24 ARG A HH22 2 24 . A ATOM 836 N N . GLN A 1 25 ? 12.734 -8.629 -0.544 1.0 0.59 ? 25 GLN A N 2 25 . A ATOM 837 C CA . GLN A 1 25 ? 13.679 -9.068 -1.580 1.0 0.62 ? 25 GLN A CA 2 25 . A ATOM 838 C C . GLN A 1 25 ? 15.002 -8.299 -1.494 1.0 0.58 ? 25 GLN A C 2 25 . A ATOM 839 O O . GLN A 1 25 ? 16.076 -8.897 -1.607 1.0 0.68 ? 25 GLN A O 2 25 . A ATOM 840 C CB . GLN A 1 25 ? 13.068 -8.903 -2.977 1.0 0.7 ? 25 GLN A CB 2 25 . A ATOM 841 C CG . GLN A 1 25 ? 11.978 -9.920 -3.299 1.0 1.11 ? 25 GLN A CG 2 25 . A ATOM 842 C CD . GLN A 1 25 ? 11.382 -9.750 -4.690 1.0 1.18 ? 25 GLN A CD 2 25 . A ATOM 843 O OE1 . GLN A 1 25 ? 12.062 -9.348 -5.638 1.0 1.5 ? 25 GLN A OE1 2 25 . A ATOM 844 N NE2 . GLN A 1 25 ? 10.096 -10.059 -4.818 1.0 1.28 ? 25 GLN A NE2 2 25 . A ATOM 845 H H . GLN A 1 25 ? 12.144 -7.870 -0.733 1.0 0.59 ? 25 GLN A H 2 25 . A ATOM 846 H HA . GLN A 1 25 ? 13.882 -10.115 -1.412 1.0 0.73 ? 25 GLN A HA 2 25 . A ATOM 847 H HB2 . GLN A 1 25 ? 12.642 -7.914 -3.056 1.0 0.73 ? 25 GLN A HB2 2 25 . A ATOM 848 H HB3 . GLN A 1 25 ? 13.853 -9.005 -3.713 1.0 1.04 ? 25 GLN A HB3 2 25 . A ATOM 849 H HG2 . GLN A 1 25 ? 12.399 -10.911 -3.227 1.0 1.51 ? 25 GLN A HG2 2 25 . A ATOM 850 H HG3 . GLN A 1 25 ? 11.186 -9.817 -2.571 1.0 1.3 ? 25 GLN A HG3 2 25 . A ATOM 851 H HE21 . GLN A 1 25 ? 9.615 -10.372 -4.024 1.0 1.53 ? 25 GLN A HE21 2 25 . A ATOM 852 H HE22 . GLN A 1 25 ? 9.682 -9.961 -5.700 1.0 1.31 ? 25 GLN A HE22 2 25 . A ATOM 853 N N . GLN A 1 26 ? 14.911 -6.977 -1.298 1.0 0.55 ? 26 GLN A N 2 26 . A ATOM 854 C CA . GLN A 1 26 ? 16.096 -6.121 -1.195 1.0 0.64 ? 26 GLN A CA 2 26 . A ATOM 855 C C . GLN A 1 26 ? 16.383 -5.754 0.263 1.0 0.76 ? 26 GLN A C 2 26 . A ATOM 856 O O . GLN A 1 26 ? 17.506 -5.905 0.746 1.0 0.87 ? 26 GLN A O 2 26 . A ATOM 857 C CB . GLN A 1 26 ? 15.925 -4.851 -2.041 1.0 0.78 ? 26 GLN A CB 2 26 . A ATOM 858 C CG . GLN A 1 26 ? 16.018 -5.093 -3.540 1.0 0.82 ? 26 GLN A CG 2 26 . A ATOM 859 C CD . GLN A 1 26 ? 15.829 -3.824 -4.348 1.0 1.06 ? 26 GLN A CD 2 26 . A ATOM 860 O OE1 . GLN A 1 26 ? 14.710 -3.472 -4.721 1.0 1.31 ? 26 GLN A OE1 2 26 . A ATOM 861 N NE2 . GLN A 1 26 ? 16.927 -3.128 -4.621 1.0 1.13 ? 26 GLN A NE2 2 26 . A ATOM 862 H H . GLN A 1 26 ? 14.024 -6.569 -1.221 1.0 0.55 ? 26 GLN A H 2 26 . A ATOM 863 H HA . GLN A 1 26 ? 16.936 -6.681 -1.577 1.0 0.63 ? 26 GLN A HA 2 26 . A ATOM 864 H HB2 . GLN A 1 26 ? 14.958 -4.420 -1.828 1.0 0.84 ? 26 GLN A HB2 2 26 . A ATOM 865 H HB3 . GLN A 1 26 ? 16.692 -4.143 -1.764 1.0 0.89 ? 26 GLN A HB3 2 26 . A ATOM 866 H HG2 . GLN A 1 26 ? 16.991 -5.503 -3.766 1.0 0.8 ? 26 GLN A HG2 2 26 . A ATOM 867 H HG3 . GLN A 1 26 ? 15.254 -5.801 -3.826 1.0 0.78 ? 26 GLN A HG3 2 26 . A ATOM 868 H HE21 . GLN A 1 26 ? 17.785 -3.468 -4.291 1.0 1.11 ? 26 GLN A HE21 2 26 . A ATOM 869 H HE22 . GLN A 1 26 ? 16.834 -2.303 -5.142 1.0 1.29 ? 26 GLN A HE22 2 26 . A HETATM 870 N N . NH2 A 1 27 ? 15.355 -5.272 0.959 1.0 0.84 ? 27 NH2 A N 2 27 . A HETATM 871 H HN1 . NH2 A 1 27 ? 14.492 -5.180 0.505 1.0 0.81 ? 27 NH2 A HN1 2 27 . A HETATM 872 H HN2 . NH2 A 1 27 ? 15.504 -5.029 1.897 1.0 0.97 ? 27 NH2 A HN2 2 27 . A ATOM 873 N N . GLY A 1 1 ? -13.824 8.834 8.872 1.0 2.35 ? 1 GLY A N 3 1 . A ATOM 874 C CA . GLY A 1 1 ? -15.088 8.186 8.421 1.0 1.58 ? 1 GLY A CA 3 1 . A ATOM 875 C C . GLY A 1 1 ? -14.874 7.233 7.262 1.0 1.16 ? 1 GLY A C 3 1 . A ATOM 876 O O . GLY A 1 1 ? -13.738 6.843 6.977 1.0 1.12 ? 1 GLY A O 3 1 . A ATOM 877 H H1 . GLY A 1 1 ? -14.013 9.469 9.673 1.0 2.47 ? 1 GLY A H1 3 1 . A ATOM 878 H H2 . GLY A 1 1 ? -13.409 9.388 8.095 1.0 2.69 ? 1 GLY A H2 3 1 . A ATOM 879 H H3 . GLY A 1 1 ? -13.139 8.110 9.171 1.0 2.71 ? 1 GLY A H3 3 1 . A ATOM 880 H HA2 . GLY A 1 1 ? -15.513 7.638 9.249 1.0 1.5 ? 1 GLY A HA2 3 1 . A ATOM 881 H HA3 . GLY A 1 1 ? -15.784 8.954 8.118 1.0 1.88 ? 1 GLY A HA3 3 1 . A ATOM 882 N N . ILE A 1 2 ? -15.975 6.873 6.581 1.0 1.2 ? 2 ILE A N 3 2 . A ATOM 883 C CA . ILE A 1 2 ? -15.941 5.946 5.429 1.0 1.08 ? 2 ILE A CA 3 2 . A ATOM 884 C C . ILE A 1 2 ? -15.194 6.576 4.240 1.0 1.43 ? 2 ILE A C 3 2 . A ATOM 885 O O . ILE A 1 2 ? -14.367 5.917 3.597 1.0 2.45 ? 2 ILE A O 3 2 . A ATOM 886 C CB . ILE A 1 2 ? -17.374 5.523 4.973 1.0 1.15 ? 2 ILE A CB 3 2 . A ATOM 887 C CG1 . ILE A 1 2 ? -18.285 5.248 6.183 1.0 1.4 ? 2 ILE A CG1 3 2 . A ATOM 888 C CG2 . ILE A 1 2 ? -17.317 4.280 4.080 1.0 1.45 ? 2 ILE A CG2 3 2 . A ATOM 889 C CD1 . ILE A 1 2 ? -19.703 5.761 6.014 1.0 1.69 ? 2 ILE A CD1 3 2 . A ATOM 890 H H . ILE A 1 2 ? -16.840 7.241 6.859 1.0 1.54 ? 2 ILE A H 3 2 . A ATOM 891 H HA . ILE A 1 2 ? -15.410 5.057 5.738 1.0 1.12 ? 2 ILE A HA 3 2 . A ATOM 892 H HB . ILE A 1 2 ? -17.793 6.331 4.393 1.0 1.36 ? 2 ILE A HB 3 2 . A ATOM 893 H HG12 . ILE A 1 2 ? -18.338 4.183 6.350 1.0 1.59 ? 2 ILE A HG12 3 2 . A ATOM 894 H HG13 . ILE A 1 2 ? -17.863 5.723 7.057 1.0 1.58 ? 2 ILE A HG13 3 2 . A ATOM 895 H HG21 . ILE A 1 2 ? -18.319 3.999 3.790 1.0 1.73 ? 2 ILE A HG21 3 2 . A ATOM 896 H HG22 . ILE A 1 2 ? -16.859 3.467 4.624 1.0 1.49 ? 2 ILE A HG22 3 2 . A ATOM 897 H HG23 . ILE A 1 2 ? -16.734 4.497 3.198 1.0 1.68 ? 2 ILE A HG23 3 2 . A ATOM 898 H HD11 . ILE A 1 2 ? -20.279 5.524 6.897 1.0 2.05 ? 2 ILE A HD11 3 2 . A ATOM 899 H HD12 . ILE A 1 2 ? -20.155 5.292 5.153 1.0 1.74 ? 2 ILE A HD12 3 2 . A ATOM 900 H HD13 . ILE A 1 2 ? -19.684 6.832 5.873 1.0 1.76 ? 2 ILE A HD13 3 2 . A ATOM 901 N N . GLY A 1 3 ? -15.490 7.859 3.971 1.0 1.01 ? 3 GLY A N 3 3 . A ATOM 902 C CA . GLY A 1 3 ? -14.848 8.585 2.875 1.0 1.23 ? 3 GLY A CA 3 3 . A ATOM 903 C C . GLY A 1 3 ? -13.378 8.885 3.140 1.0 0.93 ? 3 GLY A C 3 3 . A ATOM 904 O O . GLY A 1 3 ? -12.588 9.015 2.199 1.0 1.16 ? 3 GLY A O 3 3 . A ATOM 905 H H . GLY A 1 3 ? -16.155 8.317 4.526 1.0 1.23 ? 3 GLY A H 3 3 . A ATOM 906 H HA2 . GLY A 1 3 ? -14.924 7.993 1.975 1.0 1.67 ? 3 GLY A HA2 3 3 . A ATOM 907 H HA3 . GLY A 1 3 ? -15.371 9.517 2.722 1.0 1.55 ? 3 GLY A HA3 3 3 . A ATOM 908 N N . ALA A 1 4 ? -13.016 8.977 4.430 1.0 0.96 ? 4 ALA A N 3 4 . A ATOM 909 C CA . ALA A 1 4 ? -11.637 9.252 4.846 1.0 0.91 ? 4 ALA A CA 3 4 . A ATOM 910 C C . ALA A 1 4 ? -10.763 8.001 4.720 1.0 0.91 ? 4 ALA A C 3 4 . A ATOM 911 O O . ALA A 1 4 ? -9.648 8.071 4.195 1.0 1.37 ? 4 ALA A O 3 4 . A ATOM 912 C CB . ALA A 1 4 ? -11.609 9.786 6.271 1.0 1.32 ? 4 ALA A CB 3 4 . A ATOM 913 H H . ALA A 1 4 ? -13.699 8.853 5.121 1.0 1.33 ? 4 ALA A H 3 4 . A ATOM 914 H HA . ALA A 1 4 ? -11.242 10.018 4.193 1.0 1.01 ? 4 ALA A HA 3 4 . A ATOM 915 H HB1 . ALA A 1 4 ? -11.945 9.017 6.951 1.0 1.53 ? 4 ALA A HB1 3 4 . A ATOM 916 H HB2 . ALA A 1 4 ? -12.260 10.644 6.348 1.0 1.55 ? 4 ALA A HB2 3 4 . A ATOM 917 H HB3 . ALA A 1 4 ? -10.600 10.076 6.527 1.0 1.62 ? 4 ALA A HB3 3 4 . A ATOM 918 N N . VAL A 1 5 ? -11.291 6.851 5.183 1.0 0.84 ? 5 VAL A N 3 5 . A ATOM 919 C CA . VAL A 1 5 ? -10.562 5.571 5.109 1.0 0.86 ? 5 VAL A CA 3 5 . A ATOM 920 C C . VAL A 1 5 ? -10.515 5.032 3.670 1.0 0.72 ? 5 VAL A C 3 5 . A ATOM 921 O O . VAL A 1 5 ? -9.646 4.229 3.332 1.0 0.86 ? 5 VAL A O 3 5 . A ATOM 922 C CB . VAL A 1 5 ? -11.144 4.479 6.060 1.0 1.06 ? 5 VAL A CB 3 5 . A ATOM 923 C CG1 . VAL A 1 5 ? -10.833 4.813 7.512 1.0 1.28 ? 5 VAL A CG1 3 5 . A ATOM 924 C CG2 . VAL A 1 5 ? -12.651 4.281 5.874 1.0 1.11 ? 5 VAL A CG2 3 5 . A ATOM 925 H H . VAL A 1 5 ? -12.186 6.866 5.582 1.0 1.11 ? 5 VAL A H 3 5 . A ATOM 926 H HA . VAL A 1 5 ? -9.547 5.771 5.422 1.0 0.96 ? 5 VAL A HA 3 5 . A ATOM 927 H HB . VAL A 1 5 ? -10.654 3.543 5.827 1.0 1.11 ? 5 VAL A HB 3 5 . A ATOM 928 H HG11 . VAL A 1 5 ? -11.261 4.058 8.155 1.0 1.45 ? 5 VAL A HG11 3 5 . A ATOM 929 H HG12 . VAL A 1 5 ? -11.254 5.776 7.758 1.0 1.25 ? 5 VAL A HG12 3 5 . A ATOM 930 H HG13 . VAL A 1 5 ? -9.763 4.841 7.654 1.0 1.33 ? 5 VAL A HG13 3 5 . A ATOM 931 H HG21 . VAL A 1 5 ? -12.859 4.052 4.839 1.0 1.32 ? 5 VAL A HG21 3 5 . A ATOM 932 H HG22 . VAL A 1 5 ? -13.168 5.185 6.154 1.0 1.19 ? 5 VAL A HG22 3 5 . A ATOM 933 H HG23 . VAL A 1 5 ? -12.987 3.465 6.497 1.0 1.46 ? 5 VAL A HG23 3 5 . A ATOM 934 N N . LEU A 1 6 ? -11.459 5.493 2.834 1.0 0.63 ? 6 LEU A N 3 6 . A ATOM 935 C CA . LEU A 1 6 ? -11.532 5.083 1.429 1.0 0.66 ? 6 LEU A CA 3 6 . A ATOM 936 C C . LEU A 1 6 ? -10.620 5.959 0.558 1.0 0.68 ? 6 LEU A C 3 6 . A ATOM 937 O O . LEU A 1 6 ? -10.055 5.483 -0.430 1.0 1.05 ? 6 LEU A O 3 6 . A ATOM 938 C CB . LEU A 1 6 ? -12.984 5.162 0.928 1.0 0.8 ? 6 LEU A CB 3 6 . A ATOM 939 C CG . LEU A 1 6 ? -13.340 4.235 -0.246 1.0 0.91 ? 6 LEU A CG 3 6 . A ATOM 940 C CD1 . LEU A 1 6 ? -14.794 3.796 -0.153 1.0 1.08 ? 6 LEU A CD1 3 6 . A ATOM 941 C CD2 . LEU A 1 6 ? -13.084 4.925 -1.581 1.0 1.13 ? 6 LEU A CD2 3 6 . A ATOM 942 H H . LEU A 1 6 ? -12.123 6.127 3.176 1.0 0.71 ? 6 LEU A H 3 6 . A ATOM 943 H HA . LEU A 1 6 ? -11.193 4.059 1.366 1.0 0.75 ? 6 LEU A HA 3 6 . A ATOM 944 H HB2 . LEU A 1 6 ? -13.637 4.925 1.755 1.0 0.88 ? 6 LEU A HB2 3 6 . A ATOM 945 H HB3 . LEU A 1 6 ? -13.178 6.179 0.622 1.0 0.89 ? 6 LEU A HB3 3 6 . A ATOM 946 H HG . LEU A 1 6 ? -12.722 3.350 -0.200 1.0 1.1 ? 6 LEU A HG 3 6 . A ATOM 947 H HD11 . LEU A 1 6 ? -15.031 3.158 -0.991 1.0 1.22 ? 6 LEU A HD11 3 6 . A ATOM 948 H HD12 . LEU A 1 6 ? -15.434 4.666 -0.171 1.0 1.49 ? 6 LEU A HD12 3 6 . A ATOM 949 H HD13 . LEU A 1 6 ? -14.949 3.254 0.768 1.0 1.18 ? 6 LEU A HD13 3 6 . A ATOM 950 H HD21 . LEU A 1 6 ? -12.045 5.212 -1.646 1.0 1.24 ? 6 LEU A HD21 3 6 . A ATOM 951 H HD22 . LEU A 1 6 ? -13.705 5.805 -1.656 1.0 1.27 ? 6 LEU A HD22 3 6 . A ATOM 952 H HD23 . LEU A 1 6 ? -13.322 4.247 -2.387 1.0 1.31 ? 6 LEU A HD23 3 6 . A ATOM 953 N N . LYS A 1 7 ? -10.476 7.236 0.950 1.0 0.57 ? 7 LYS A N 3 7 . A ATOM 954 C CA . LYS A 1 7 ? -9.634 8.193 0.219 1.0 0.64 ? 7 LYS A CA 3 7 . A ATOM 955 C C . LYS A 1 7 ? -8.160 8.112 0.641 1.0 0.66 ? 7 LYS A C 3 7 . A ATOM 956 O O . LYS A 1 7 ? -7.289 8.640 -0.057 1.0 0.74 ? 7 LYS A O 3 7 . A ATOM 957 C CB . LYS A 1 7 ? -10.152 9.623 0.423 1.0 0.73 ? 7 LYS A CB 3 7 . A ATOM 958 C CG . LYS A 1 7 ? -11.371 9.971 -0.427 1.0 1.05 ? 7 LYS A CG 3 7 . A ATOM 959 C CD . LYS A 1 7 ? -10.973 10.490 -1.803 1.0 1.19 ? 7 LYS A CD 3 7 . A ATOM 960 C CE . LYS A 1 7 ? -12.191 10.828 -2.647 1.0 1.59 ? 7 LYS A CE 3 7 . A ATOM 961 N NZ . LYS A 1 7 ? -11.808 11.381 -3.976 1.0 1.52 1 7 LYS A NZ 3 7 . A ATOM 962 H H . LYS A 1 7 ? -10.949 7.541 1.751 1.0 0.69 ? 7 LYS A H 3 7 . A ATOM 963 H HA . LYS A 1 7 ? -9.703 7.949 -0.831 1.0 0.7 ? 7 LYS A HA 3 7 . A ATOM 964 H HB2 . LYS A 1 7 ? -10.416 9.750 1.462 1.0 0.78 ? 7 LYS A HB2 3 7 . A ATOM 965 H HB3 . LYS A 1 7 ? -9.361 10.316 0.176 1.0 0.92 ? 7 LYS A HB3 3 7 . A ATOM 966 H HG2 . LYS A 1 7 ? -11.976 9.085 -0.550 1.0 1.52 ? 7 LYS A HG2 3 7 . A ATOM 967 H HG3 . LYS A 1 7 ? -11.947 10.733 0.081 1.0 1.25 ? 7 LYS A HG3 3 7 . A ATOM 968 H HD2 . LYS A 1 7 ? -10.374 11.380 -1.682 1.0 1.19 ? 7 LYS A HD2 3 7 . A ATOM 969 H HD3 . LYS A 1 7 ? -10.395 9.731 -2.309 1.0 1.49 ? 7 LYS A HD3 3 7 . A ATOM 970 H HE2 . LYS A 1 7 ? -12.772 9.930 -2.796 1.0 1.94 ? 7 LYS A HE2 3 7 . A ATOM 971 H HE3 . LYS A 1 7 ? -12.787 11.559 -2.120 1.0 2.19 ? 7 LYS A HE3 3 7 . A ATOM 972 H HZ1 . LYS A 1 7 ? -11.256 10.679 -4.510 1.0 2.02 ? 7 LYS A HZ1 3 7 . A ATOM 973 H HZ2 . LYS A 1 7 ? -11.232 12.239 -3.855 1.0 1.72 ? 7 LYS A HZ2 3 7 . A ATOM 974 H HZ3 . LYS A 1 7 ? -12.660 11.625 -4.521 1.0 1.75 ? 7 LYS A HZ3 3 7 . A ATOM 975 N N . VAL A 1 8 ? -7.886 7.458 1.780 1.0 0.65 ? 8 VAL A N 3 8 . A ATOM 976 C CA . VAL A 1 8 ? -6.510 7.316 2.278 1.0 0.75 ? 8 VAL A CA 3 8 . A ATOM 977 C C . VAL A 1 8 ? -6.001 5.873 2.095 1.0 0.73 ? 8 VAL A C 3 8 . A ATOM 978 O O . VAL A 1 8 ? -4.820 5.672 1.794 1.0 1.09 ? 8 VAL A O 3 8 . A ATOM 979 C CB . VAL A 1 8 ? -6.378 7.759 3.772 1.0 0.88 ? 8 VAL A CB 3 8 . A ATOM 980 C CG1 . VAL A 1 8 ? -4.939 7.639 4.278 1.0 0.99 ? 8 VAL A CG1 3 8 . A ATOM 981 C CG2 . VAL A 1 8 ? -6.861 9.195 3.959 1.0 0.86 ? 8 VAL A CG2 3 8 . A ATOM 982 H H . VAL A 1 8 ? -8.623 7.067 2.295 1.0 0.62 ? 8 VAL A H 3 8 . A ATOM 983 H HA . VAL A 1 8 ? -5.887 7.970 1.683 1.0 0.81 ? 8 VAL A HA 3 8 . A ATOM 984 H HB . VAL A 1 8 ? -7.002 7.116 4.373 1.0 0.96 ? 8 VAL A HB 3 8 . A ATOM 985 H HG11 . VAL A 1 8 ? -4.902 7.904 5.325 1.0 1.09 ? 8 VAL A HG11 3 8 . A ATOM 986 H HG12 . VAL A 1 8 ? -4.302 8.305 3.716 1.0 0.94 ? 8 VAL A HG12 3 8 . A ATOM 987 H HG13 . VAL A 1 8 ? -4.597 6.622 4.151 1.0 1.05 ? 8 VAL A HG13 3 8 . A ATOM 988 H HG21 . VAL A 1 8 ? -6.276 9.856 3.335 1.0 1.28 ? 8 VAL A HG21 3 8 . A ATOM 989 H HG22 . VAL A 1 8 ? -6.746 9.482 4.993 1.0 1.02 ? 8 VAL A HG22 3 8 . A ATOM 990 H HG23 . VAL A 1 8 ? -7.902 9.264 3.680 1.0 1.3 ? 8 VAL A HG23 3 8 . A ATOM 991 N N . LEU A 1 9 ? -6.886 4.882 2.278 1.0 0.61 ? 9 LEU A N 3 9 . A ATOM 992 C CA . LEU A 1 9 ? -6.507 3.469 2.128 1.0 0.66 ? 9 LEU A CA 3 9 . A ATOM 993 C C . LEU A 1 9 ? -6.852 2.933 0.736 1.0 0.63 ? 9 LEU A C 3 9 . A ATOM 994 O O . LEU A 1 9 ? -6.069 2.179 0.151 1.0 0.8 ? 9 LEU A O 3 9 . A ATOM 995 C CB . LEU A 1 9 ? -7.182 2.602 3.201 1.0 0.82 ? 9 LEU A CB 3 9 . A ATOM 996 C CG . LEU A 1 9 ? -6.635 2.758 4.626 1.0 0.99 ? 9 LEU A CG 3 9 . A ATOM 997 C CD1 . LEU A 1 9 ? -7.271 3.950 5.329 1.0 1.17 ? 9 LEU A CD1 3 9 . A ATOM 998 C CD2 . LEU A 1 9 ? -6.872 1.486 5.425 1.0 1.19 ? 9 LEU A CD2 3 9 . A ATOM 999 H H . LEU A 1 9 ? -7.810 5.105 2.518 1.0 0.78 ? 9 LEU A H 3 9 . A ATOM 1000 H HA . LEU A 1 9 ? -5.437 3.408 2.259 1.0 0.73 ? 9 LEU A HA 3 9 . A ATOM 1001 H HB2 . LEU A 1 9 ? -8.234 2.845 3.216 1.0 0.84 ? 9 LEU A HB2 3 9 . A ATOM 1002 H HB3 . LEU A 1 9 ? -7.076 1.567 2.912 1.0 0.9 ? 9 LEU A HB3 3 9 . A ATOM 1003 H HG . LEU A 1 9 ? -5.569 2.929 4.578 1.0 1.16 ? 9 LEU A HG 3 9 . A ATOM 1004 H HD11 . LEU A 1 9 ? -6.894 4.016 6.339 1.0 1.48 ? 9 LEU A HD11 3 9 . A ATOM 1005 H HD12 . LEU A 1 9 ? -8.342 3.823 5.352 1.0 1.24 ? 9 LEU A HD12 3 9 . A ATOM 1006 H HD13 . LEU A 1 9 ? -7.026 4.855 4.794 1.0 1.43 ? 9 LEU A HD13 3 9 . A ATOM 1007 H HD21 . LEU A 1 9 ? -6.494 1.615 6.428 1.0 1.29 ? 9 LEU A HD21 3 9 . A ATOM 1008 H HD22 . LEU A 1 9 ? -6.359 0.662 4.951 1.0 1.33 ? 9 LEU A HD22 3 9 . A ATOM 1009 H HD23 . LEU A 1 9 ? -7.931 1.277 5.463 1.0 1.33 ? 9 LEU A HD23 3 9 . A ATOM 1010 N N . THR A 1 10 ? -8.024 3.324 0.212 1.0 0.58 ? 10 THR A N 3 10 . A ATOM 1011 C CA . THR A 1 10 ? -8.469 2.873 -1.109 1.0 0.7 ? 10 THR A CA 3 10 . A ATOM 1012 C C . THR A 1 10 ? -8.106 3.909 -2.188 1.0 0.7 ? 10 THR A C 3 10 . A ATOM 1013 O O . THR A 1 10 ? -8.968 4.636 -2.701 1.0 0.88 ? 10 THR A O 3 10 . A ATOM 1014 C CB . THR A 1 10 ? -9.996 2.577 -1.127 1.0 0.82 ? 10 THR A CB 3 10 . A ATOM 1015 O OG1 . THR A 1 10 ? -10.418 2.065 0.145 1.0 0.97 ? 10 THR A OG1 3 10 . A ATOM 1016 C CG2 . THR A 1 10 ? -10.353 1.565 -2.213 1.0 1.05 ? 10 THR A CG2 3 10 . A ATOM 1017 H H . THR A 1 10 ? -8.598 3.928 0.727 1.0 0.61 ? 10 THR A H 3 10 . A ATOM 1018 H HA . THR A 1 10 ? -7.947 1.954 -1.332 1.0 0.8 ? 10 THR A HA 3 10 . A ATOM 1019 H HB . THR A 1 10 ? -10.524 3.497 -1.328 1.0 0.97 ? 10 THR A HB 3 10 . A ATOM 1020 H HG1 . THR A 1 10 ? -11.341 2.290 0.291 1.0 1.15 ? 10 THR A HG1 3 10 . A ATOM 1021 H HG21 . THR A 1 10 ? -10.121 1.982 -3.182 1.0 1.35 ? 10 THR A HG21 3 10 . A ATOM 1022 H HG22 . THR A 1 10 ? -11.408 1.338 -2.161 1.0 1.45 ? 10 THR A HG22 3 10 . A ATOM 1023 H HG23 . THR A 1 10 ? -9.782 0.660 -2.064 1.0 1.46 ? 10 THR A HG23 3 10 . A ATOM 1024 N N . THR A 1 11 ? -6.806 3.972 -2.505 1.0 0.59 ? 11 THR A N 3 11 . A ATOM 1025 C CA . THR A 1 11 ? -6.276 4.895 -3.519 1.0 0.7 ? 11 THR A CA 3 11 . A ATOM 1026 C C . THR A 1 11 ? -5.041 4.306 -4.200 1.0 0.8 ? 11 THR A C 3 11 . A ATOM 1027 O O . THR A 1 11 ? -4.926 4.344 -5.429 1.0 1.51 ? 11 THR A O 3 11 . A ATOM 1028 C CB . THR A 1 11 ? -5.910 6.275 -2.922 1.0 0.65 ? 11 THR A CB 3 11 . A ATOM 1029 O OG1 . THR A 1 11 ? -5.221 6.110 -1.676 1.0 0.51 ? 11 THR A OG1 3 11 . A ATOM 1030 C CG2 . THR A 1 11 ? -7.154 7.128 -2.713 1.0 0.76 ? 11 THR A CG2 3 11 . A ATOM 1031 H H . THR A 1 11 ? -6.181 3.377 -2.042 1.0 0.51 ? 11 THR A H 3 11 . A ATOM 1032 H HA . THR A 1 11 ? -7.045 5.042 -4.264 1.0 0.88 ? 11 THR A HA 3 11 . A ATOM 1033 H HB . THR A 1 11 ? -5.258 6.785 -3.616 1.0 0.76 ? 11 THR A HB 3 11 . A ATOM 1034 H HG1 . THR A 1 11 ? -4.683 6.885 -1.502 1.0 0.97 ? 11 THR A HG1 3 11 . A ATOM 1035 H HG21 . THR A 1 11 ? -6.864 8.105 -2.354 1.0 1.28 ? 11 THR A HG21 3 11 . A ATOM 1036 H HG22 . THR A 1 11 ? -7.798 6.655 -1.988 1.0 1.01 ? 11 THR A HG22 3 11 . A ATOM 1037 H HG23 . THR A 1 11 ? -7.681 7.231 -3.650 1.0 1.16 ? 11 THR A HG23 3 11 . A ATOM 1038 N N . GLY A 1 12 ? -4.123 3.765 -3.386 1.0 0.88 ? 12 GLY A N 3 12 . A ATOM 1039 C CA . GLY A 1 12 ? -2.901 3.165 -3.904 1.0 0.94 ? 12 GLY A CA 3 12 . A ATOM 1040 C C . GLY A 1 12 ? -2.570 1.854 -3.218 1.0 0.89 ? 12 GLY A C 3 12 . A ATOM 1041 O O . GLY A 1 12 ? -2.055 1.850 -2.095 1.0 0.98 ? 12 GLY A O 3 12 . A ATOM 1042 H H . GLY A 1 12 ? -4.281 3.777 -2.420 1.0 1.39 ? 12 GLY A H 3 12 . A ATOM 1043 H HA2 . GLY A 1 12 ? -3.021 2.985 -4.963 1.0 1.07 ? 12 GLY A HA2 3 12 . A ATOM 1044 H HA3 . GLY A 1 12 ? -2.083 3.854 -3.757 1.0 0.97 ? 12 GLY A HA3 3 12 . A ATOM 1045 N N . LEU A 1 13 ? -2.869 0.744 -3.899 1.0 0.8 ? 13 LEU A N 3 13 . A ATOM 1046 C CA . LEU A 1 13 ? -2.615 -0.598 -3.367 1.0 0.75 ? 13 LEU A CA 3 13 . A ATOM 1047 C C . LEU A 1 13 ? -1.265 -1.182 -3.840 1.0 0.67 ? 13 LEU A C 3 13 . A ATOM 1048 O O . LEU A 1 13 ? -0.594 -1.842 -3.041 1.0 0.63 ? 13 LEU A O 3 13 . A ATOM 1049 C CB . LEU A 1 13 ? -3.762 -1.550 -3.738 1.0 0.84 ? 13 LEU A CB 3 13 . A ATOM 1050 C CG . LEU A 1 13 ? -5.100 -1.270 -3.042 1.0 0.93 ? 13 LEU A CG 3 13 . A ATOM 1051 C CD1 . LEU A 1 13 ? -5.938 -0.287 -3.850 1.0 1.5 ? 13 LEU A CD1 3 13 . A ATOM 1052 C CD2 . LEU A 1 13 ? -5.866 -2.567 -2.819 1.0 1.2 ? 13 LEU A CD2 3 13 . A ATOM 1053 H H . LEU A 1 13 ? -3.273 0.830 -4.788 1.0 0.8 ? 13 LEU A H 3 13 . A ATOM 1054 H HA . LEU A 1 13 ? -2.582 -0.511 -2.291 1.0 0.77 ? 13 LEU A HA 3 13 . A ATOM 1055 H HB2 . LEU A 1 13 ? -3.919 -1.495 -4.804 1.0 1.04 ? 13 LEU A HB2 3 13 . A ATOM 1056 H HB3 . LEU A 1 13 ? -3.459 -2.556 -3.489 1.0 0.87 ? 13 LEU A HB3 3 13 . A ATOM 1057 H HG . LEU A 1 13 ? -4.908 -0.826 -2.076 1.0 1.14 ? 13 LEU A HG 3 13 . A ATOM 1058 H HD11 . LEU A 1 13 ? -6.869 -0.099 -3.335 1.0 1.65 ? 13 LEU A HD11 3 13 . A ATOM 1059 H HD12 . LEU A 1 13 ? -6.144 -0.705 -4.824 1.0 1.79 ? 13 LEU A HD12 3 13 . A ATOM 1060 H HD13 . LEU A 1 13 ? -5.395 0.640 -3.963 1.0 1.82 ? 13 LEU A HD13 3 13 . A ATOM 1061 H HD21 . LEU A 1 13 ? -6.028 -3.056 -3.768 1.0 1.54 ? 13 LEU A HD21 3 13 . A ATOM 1062 H HD22 . LEU A 1 13 ? -6.818 -2.347 -2.359 1.0 1.48 ? 13 LEU A HD22 3 13 . A ATOM 1063 H HD23 . LEU A 1 13 ? -5.294 -3.216 -2.171 1.0 1.47 ? 13 LEU A HD23 3 13 . A ATOM 1064 N N . PRO A 1 14 ? -0.822 -0.969 -5.132 1.0 0.71 ? 14 PRO A N 3 14 . A ATOM 1065 C CA . PRO A 1 14 ? 0.468 -1.517 -5.628 1.0 0.73 ? 14 PRO A CA 3 14 . A ATOM 1066 C C . PRO A 1 14 ? 1.704 -0.911 -4.947 1.0 0.75 ? 14 PRO A C 3 14 . A ATOM 1067 O O . PRO A 1 14 ? 2.810 -1.446 -5.079 1.0 0.92 ? 14 PRO A O 3 14 . A ATOM 1068 C CB . PRO A 1 14 ? 0.472 -1.162 -7.123 1.0 0.85 ? 14 PRO A CB 3 14 . A ATOM 1069 C CG . PRO A 1 14 ? -0.937 -0.817 -7.456 1.0 0.91 ? 14 PRO A CG 3 14 . A ATOM 1070 C CD . PRO A 1 14 ? -1.510 -0.217 -6.209 1.0 0.81 ? 14 PRO A CD 3 14 . A ATOM 1071 H HA . PRO A 1 14 ? 0.500 -2.591 -5.517 1.0 0.7 ? 14 PRO A HA 3 14 . A ATOM 1072 H HB2 . PRO A 1 14 ? 1.128 -0.317 -7.296 1.0 0.9 ? 14 PRO A HB2 3 14 . A ATOM 1073 H HB3 . PRO A 1 14 ? 0.795 -2.009 -7.707 1.0 0.93 ? 14 PRO A HB3 3 14 . A ATOM 1074 H HG2 . PRO A 1 14 ? -0.960 -0.103 -8.268 1.0 1.08 ? 14 PRO A HG2 3 14 . A ATOM 1075 H HG3 . PRO A 1 14 ? -1.484 -1.709 -7.720 1.0 1.01 ? 14 PRO A HG3 3 14 . A ATOM 1076 H HD2 . PRO A 1 14 ? -1.277 0.837 -6.155 1.0 0.9 ? 14 PRO A HD2 3 14 . A ATOM 1077 H HD3 . PRO A 1 14 ? -2.576 -0.372 -6.169 1.0 0.84 ? 14 PRO A HD3 3 14 . A ATOM 1078 N N . ALA A 1 15 ? 1.504 0.198 -4.213 1.0 0.67 ? 15 ALA A N 3 15 . A ATOM 1079 C CA . ALA A 1 15 ? 2.595 0.882 -3.504 1.0 0.73 ? 15 ALA A CA 3 15 . A ATOM 1080 C C . ALA A 1 15 ? 3.051 0.091 -2.272 1.0 0.73 ? 15 ALA A C 3 15 . A ATOM 1081 O O . ALA A 1 15 ? 4.254 -0.044 -2.026 1.0 0.88 ? 15 ALA A O 3 15 . A ATOM 1082 C CB . ALA A 1 15 ? 2.169 2.289 -3.107 1.0 0.8 ? 15 ALA A CB 3 15 . A ATOM 1083 H H . ALA A 1 15 ? 0.598 0.563 -4.148 1.0 0.63 ? 15 ALA A H 3 15 . A ATOM 1084 H HA . ALA A 1 15 ? 3.428 0.966 -4.187 1.0 0.77 ? 15 ALA A HA 3 15 . A ATOM 1085 H HB1 . ALA A 1 15 ? 1.860 2.833 -3.987 1.0 0.79 ? 15 ALA A HB1 3 15 . A ATOM 1086 H HB2 . ALA A 1 15 ? 2.999 2.799 -2.642 1.0 0.92 ? 15 ALA A HB2 3 15 . A ATOM 1087 H HB3 . ALA A 1 15 ? 1.345 2.233 -2.410 1.0 0.78 ? 15 ALA A HB3 3 15 . A ATOM 1088 N N . LEU A 1 16 ? 2.077 -0.446 -1.515 1.0 0.64 ? 16 LEU A N 3 16 . A ATOM 1089 C CA . LEU A 1 16 ? 2.362 -1.241 -0.312 1.0 0.67 ? 16 LEU A CA 3 16 . A ATOM 1090 C C . LEU A 1 16 ? 2.899 -2.629 -0.674 1.0 0.63 ? 16 LEU A C 3 16 . A ATOM 1091 O O . LEU A 1 16 ? 3.745 -3.176 0.039 1.0 0.76 ? 16 LEU A O 3 16 . A ATOM 1092 C CB . LEU A 1 16 ? 1.104 -1.373 0.556 1.0 0.75 ? 16 LEU A CB 3 16 . A ATOM 1093 C CG . LEU A 1 16 ? 0.807 -0.178 1.470 1.0 0.96 ? 16 LEU A CG 3 16 . A ATOM 1094 C CD1 . LEU A 1 16 ? -0.687 -0.069 1.729 1.0 1.2 ? 16 LEU A CD1 3 16 . A ATOM 1095 C CD2 . LEU A 1 16 ? 1.563 -0.302 2.790 1.0 1.23 ? 16 LEU A CD2 3 16 . A ATOM 1096 H H . LEU A 1 16 ? 1.144 -0.303 -1.776 1.0 0.63 ? 16 LEU A H 3 16 . A ATOM 1097 H HA . LEU A 1 16 ? 3.120 -0.717 0.251 1.0 0.72 ? 16 LEU A HA 3 16 . A ATOM 1098 H HB2 . LEU A 1 16 ? 0.257 -1.518 -0.098 1.0 0.81 ? 16 LEU A HB2 3 16 . A ATOM 1099 H HB3 . LEU A 1 16 ? 1.212 -2.252 1.175 1.0 0.95 ? 16 LEU A HB3 3 16 . A ATOM 1100 H HG . LEU A 1 16 ? 1.129 0.731 0.982 1.0 1.21 ? 16 LEU A HG 3 16 . A ATOM 1101 H HD11 . LEU A 1 16 ? -0.877 0.756 2.400 1.0 1.66 ? 16 LEU A HD11 3 16 . A ATOM 1102 H HD12 . LEU A 1 16 ? -1.042 -0.987 2.177 1.0 1.38 ? 16 LEU A HD12 3 16 . A ATOM 1103 H HD13 . LEU A 1 16 ? -1.204 0.099 0.795 1.0 1.32 ? 16 LEU A HD13 3 16 . A ATOM 1104 H HD21 . LEU A 1 16 ? 1.283 -1.224 3.280 1.0 1.24 ? 16 LEU A HD21 3 16 . A ATOM 1105 H HD22 . LEU A 1 16 ? 1.314 0.534 3.427 1.0 1.49 ? 16 LEU A HD22 3 16 . A ATOM 1106 H HD23 . LEU A 1 16 ? 2.626 -0.304 2.598 1.0 1.81 ? 16 LEU A HD23 3 16 . A ATOM 1107 N N . ILE A 1 17 ? 2.410 -3.178 -1.802 1.0 0.53 ? 17 ILE A N 3 17 . A ATOM 1108 C CA . ILE A 1 17 ? 2.837 -4.500 -2.299 1.0 0.52 ? 17 ILE A CA 3 17 . A ATOM 1109 C C . ILE A 1 17 ? 4.281 -4.425 -2.830 1.0 0.53 ? 17 ILE A C 3 17 . A ATOM 1110 O O . ILE A 1 17 ? 5.078 -5.349 -2.624 1.0 0.63 ? 17 ILE A O 3 17 . A ATOM 1111 C CB . ILE A 1 17 ? 1.889 -5.040 -3.427 1.0 0.54 ? 17 ILE A CB 3 17 . A ATOM 1112 C CG1 . ILE A 1 17 ? 0.383 -4.791 -3.111 1.0 0.6 ? 17 ILE A CG1 3 17 . A ATOM 1113 C CG2 . ILE A 1 17 ? 2.139 -6.532 -3.704 1.0 0.58 ? 17 ILE A CG2 3 17 . A ATOM 1114 C CD1 . ILE A 1 17 ? -0.128 -5.353 -1.784 1.0 0.64 ? 17 ILE A CD1 3 17 . A ATOM 1115 H H . ILE A 1 17 ? 1.741 -2.678 -2.315 1.0 0.54 ? 17 ILE A H 3 17 . A ATOM 1116 H HA . ILE A 1 17 ? 2.806 -5.191 -1.469 1.0 0.55 ? 17 ILE A HA 3 17 . A ATOM 1117 H HB . ILE A 1 17 ? 2.138 -4.506 -4.333 1.0 0.55 ? 17 ILE A HB 3 17 . A ATOM 1118 H HG12 . ILE A 1 17 ? 0.205 -3.727 -3.097 1.0 0.61 ? 17 ILE A HG12 3 17 . A ATOM 1119 H HG13 . ILE A 1 17 ? -0.210 -5.230 -3.901 1.0 0.64 ? 17 ILE A HG13 3 17 . A ATOM 1120 H HG21 . ILE A 1 17 ? 1.427 -6.886 -4.435 1.0 1.05 ? 17 ILE A HG21 3 17 . A ATOM 1121 H HG22 . ILE A 1 17 ? 2.024 -7.093 -2.788 1.0 1.42 ? 17 ILE A HG22 3 17 . A ATOM 1122 H HG23 . ILE A 1 17 ? 3.142 -6.666 -4.083 1.0 1.01 ? 17 ILE A HG23 3 17 . A ATOM 1123 H HD11 . ILE A 1 17 ? 0.035 -6.421 -1.759 1.0 1.2 ? 17 ILE A HD11 3 17 . A ATOM 1124 H HD12 . ILE A 1 17 ? -1.184 -5.149 -1.688 1.0 1.2 ? 17 ILE A HD12 3 17 . A ATOM 1125 H HD13 . ILE A 1 17 ? 0.405 -4.889 -0.967 1.0 1.23 ? 17 ILE A HD13 3 17 . A ATOM 1126 N N . SER A 1 18 ? 4.603 -3.303 -3.499 1.0 0.53 ? 18 SER A N 3 18 . A ATOM 1127 C CA . SER A 1 18 ? 5.943 -3.071 -4.055 1.0 0.6 ? 18 SER A CA 3 18 . A ATOM 1128 C C . SER A 1 18 ? 6.957 -2.743 -2.953 1.0 0.59 ? 18 SER A C 3 18 . A ATOM 1129 O O . SER A 1 18 ? 8.142 -3.064 -3.079 1.0 0.88 ? 18 SER A O 3 18 . A ATOM 1130 C CB . SER A 1 18 ? 5.902 -1.936 -5.080 1.0 0.73 ? 18 SER A CB 3 18 . A ATOM 1131 O OG . SER A 1 18 ? 5.117 -2.293 -6.204 1.0 0.8 ? 18 SER A OG 3 18 . A ATOM 1132 H H . SER A 1 18 ? 3.918 -2.613 -3.619 1.0 0.57 ? 18 SER A H 3 18 . A ATOM 1133 H HA . SER A 1 18 ? 6.254 -3.979 -4.552 1.0 0.63 ? 18 SER A HA 3 18 . A ATOM 1134 H HB2 . SER A 1 18 ? 5.474 -1.057 -4.623 1.0 0.74 ? 18 SER A HB2 3 18 . A ATOM 1135 H HB3 . SER A 1 18 ? 6.906 -1.717 -5.411 1.0 0.81 ? 18 SER A HB3 3 18 . A ATOM 1136 H HG . SER A 1 18 ? 5.458 -3.104 -6.589 1.0 1.1 ? 18 SER A HG 3 18 . A ATOM 1137 N N . TRP A 1 19 ? 6.472 -2.114 -1.867 1.0 0.49 ? 19 TRP A N 3 19 . A ATOM 1138 C CA . TRP A 1 19 ? 7.319 -1.751 -0.722 1.0 0.54 ? 19 TRP A CA 3 19 . A ATOM 1139 C C . TRP A 1 19 ? 7.660 -2.980 0.129 1.0 0.5 ? 19 TRP A C 3 19 . A ATOM 1140 O O . TRP A 1 19 ? 8.784 -3.099 0.632 1.0 0.59 ? 19 TRP A O 3 19 . A ATOM 1141 C CB . TRP A 1 19 ? 6.631 -0.688 0.138 1.0 0.68 ? 19 TRP A CB 3 19 . A ATOM 1142 C CG . TRP A 1 19 ? 7.076 0.715 -0.173 1.0 0.62 ? 19 TRP A CG 3 19 . A ATOM 1143 C CD1 . TRP A 1 19 ? 6.660 1.501 -1.211 1.0 0.96 ? 19 TRP A CD1 3 19 . A ATOM 1144 C CD2 . TRP A 1 19 ? 8.022 1.505 0.554 1.0 0.63 ? 19 TRP A CD2 3 19 . A ATOM 1145 N NE1 . TRP A 1 19 ? 7.294 2.726 -1.170 1.0 1.09 ? 19 TRP A NE1 3 19 . A ATOM 1146 C CE2 . TRP A 1 19 ? 8.139 2.767 -0.089 1.0 0.9 ? 19 TRP A CE2 3 19 . A ATOM 1147 C CE3 . TRP A 1 19 ? 8.814 1.300 1.709 1.0 0.84 ? 19 TRP A CE3 3 19 . A ATOM 1148 C CZ2 . TRP A 1 19 ? 8.980 3.810 0.347 1.0 1.16 ? 19 TRP A CZ2 3 19 . A ATOM 1149 C CZ3 . TRP A 1 19 ? 9.656 2.309 2.154 1.0 1.15 ? 19 TRP A CZ3 3 19 . A ATOM 1150 C CH2 . TRP A 1 19 ? 9.747 3.568 1.485 1.0 1.24 ? 19 TRP A CH2 3 19 . A ATOM 1151 H H . TRP A 1 19 ? 5.519 -1.890 -1.838 1.0 0.6 ? 19 TRP A H 3 19 . A ATOM 1152 H HA . TRP A 1 19 ? 8.238 -1.341 -1.114 1.0 0.59 ? 19 TRP A HA 3 19 . A ATOM 1153 H HB2 . TRP A 1 19 ? 5.565 -0.742 -0.020 1.0 0.97 ? 19 TRP A HB2 3 19 . A ATOM 1154 H HB3 . TRP A 1 19 ? 6.846 -0.884 1.179 1.0 0.79 ? 19 TRP A HB3 3 19 . A ATOM 1155 H HD1 . TRP A 1 19 ? 5.940 1.191 -1.954 1.0 1.22 ? 19 TRP A HD1 3 19 . A ATOM 1156 H HE1 . TRP A 1 19 ? 7.159 3.457 -1.808 1.0 1.4 ? 19 TRP A HE1 3 19 . A ATOM 1157 H HE3 . TRP A 1 19 ? 8.774 0.355 2.230 1.0 0.96 ? 19 TRP A HE3 3 19 . A ATOM 1158 H HZ2 . TRP A 1 19 ? 9.040 4.748 -0.185 1.0 1.42 ? 19 TRP A HZ2 3 19 . A ATOM 1159 H HZ3 . TRP A 1 19 ? 10.252 2.143 3.039 1.0 1.44 ? 19 TRP A HZ3 3 19 . A ATOM 1160 H HH2 . TRP A 1 19 ? 10.407 4.334 1.864 1.0 1.52 ? 19 TRP A HH2 3 19 . A ATOM 1161 N N . ILE A 1 20 ? 6.685 -3.899 0.273 1.0 0.52 ? 20 ILE A N 3 20 . A ATOM 1162 C CA . ILE A 1 20 ? 6.882 -5.140 1.048 1.0 0.56 ? 20 ILE A CA 3 20 . A ATOM 1163 C C . ILE A 1 20 ? 7.726 -6.155 0.260 1.0 0.59 ? 20 ILE A C 3 20 . A ATOM 1164 O O . ILE A 1 20 ? 8.474 -6.938 0.850 1.0 0.75 ? 20 ILE A O 3 20 . A ATOM 1165 C CB . ILE A 1 20 ? 5.541 -5.802 1.498 1.0 0.71 ? 20 ILE A CB 3 20 . A ATOM 1166 C CG1 . ILE A 1 20 ? 4.577 -6.037 0.320 1.0 0.93 ? 20 ILE A CG1 3 20 . A ATOM 1167 C CG2 . ILE A 1 20 ? 4.864 -4.961 2.571 1.0 1.12 ? 20 ILE A CG2 3 20 . A ATOM 1168 C CD1 . ILE A 1 20 ? 4.611 -7.451 -0.219 1.0 1.33 ? 20 ILE A CD1 3 20 . A ATOM 1169 H H . ILE A 1 20 ? 5.816 -3.738 -0.151 1.0 0.58 ? 20 ILE A H 3 20 . A ATOM 1170 H HA . ILE A 1 20 ? 7.432 -4.871 1.940 1.0 0.57 ? 20 ILE A HA 3 20 . A ATOM 1171 H HB . ILE A 1 20 ? 5.782 -6.758 1.941 1.0 1.0 ? 20 ILE A HB 3 20 . A ATOM 1172 H HG12 . ILE A 1 20 ? 3.568 -5.828 0.640 1.0 1.04 ? 20 ILE A HG12 3 20 . A ATOM 1173 H HG13 . ILE A 1 20 ? 4.841 -5.368 -0.487 1.0 1.17 ? 20 ILE A HG13 3 20 . A ATOM 1174 H HG21 . ILE A 1 20 ? 5.512 -4.887 3.432 1.0 1.42 ? 20 ILE A HG21 3 20 . A ATOM 1175 H HG22 . ILE A 1 20 ? 3.933 -5.426 2.860 1.0 1.21 ? 20 ILE A HG22 3 20 . A ATOM 1176 H HG23 . ILE A 1 20 ? 4.667 -3.972 2.183 1.0 1.32 ? 20 ILE A HG23 3 20 . A ATOM 1177 H HD11 . ILE A 1 20 ? 4.012 -7.510 -1.116 1.0 1.7 ? 20 ILE A HD11 3 20 . A ATOM 1178 H HD12 . ILE A 1 20 ? 4.214 -8.128 0.523 1.0 1.35 ? 20 ILE A HD12 3 20 . A ATOM 1179 H HD13 . ILE A 1 20 ? 5.630 -7.725 -0.447 1.0 1.51 ? 20 ILE A HD13 3 20 . A ATOM 1180 N N . LYS A 1 21 ? 7.593 -6.120 -1.079 1.0 0.54 ? 21 LYS A N 3 21 . A ATOM 1181 C CA . LYS A 1 21 ? 8.347 -7.010 -1.972 1.0 0.66 ? 21 LYS A CA 3 21 . A ATOM 1182 C C . LYS A 1 21 ? 9.800 -6.544 -2.118 1.0 0.6 ? 21 LYS A C 3 21 . A ATOM 1183 O O . LYS A 1 21 ? 10.707 -7.366 -2.271 1.0 0.7 ? 21 LYS A O 3 21 . A ATOM 1184 C CB . LYS A 1 21 ? 7.682 -7.083 -3.349 1.0 0.79 ? 21 LYS A CB 3 21 . A ATOM 1185 C CG . LYS A 1 21 ? 6.484 -8.018 -3.399 1.0 1.01 ? 21 LYS A CG 3 21 . A ATOM 1186 C CD . LYS A 1 21 ? 5.926 -8.141 -4.808 1.0 1.03 ? 21 LYS A CD 3 21 . A ATOM 1187 C CE . LYS A 1 21 ? 4.836 -9.199 -4.881 1.0 1.13 ? 21 LYS A CE 3 21 . A ATOM 1188 N NZ . LYS A 1 21 ? 4.222 -9.275 -6.236 1.0 1.58 1 21 LYS A NZ 3 21 . A ATOM 1189 H H . LYS A 1 21 ? 6.968 -5.476 -1.474 1.0 0.52 ? 21 LYS A H 3 21 . A ATOM 1190 H HA . LYS A 1 21 ? 8.345 -7.996 -1.530 1.0 0.75 ? 21 LYS A HA 3 21 . A ATOM 1191 H HB2 . LYS A 1 21 ? 7.351 -6.094 -3.628 1.0 1.0 ? 21 LYS A HB2 3 21 . A ATOM 1192 H HB3 . LYS A 1 21 ? 8.410 -7.426 -4.070 1.0 0.9 ? 21 LYS A HB3 3 21 . A ATOM 1193 H HG2 . LYS A 1 21 ? 6.787 -8.996 -3.058 1.0 1.29 ? 21 LYS A HG2 3 21 . A ATOM 1194 H HG3 . LYS A 1 21 ? 5.712 -7.632 -2.750 1.0 1.39 ? 21 LYS A HG3 3 21 . A ATOM 1195 H HD2 . LYS A 1 21 ? 5.510 -7.189 -5.105 1.0 1.28 ? 21 LYS A HD2 3 21 . A ATOM 1196 H HD3 . LYS A 1 21 ? 6.726 -8.413 -5.480 1.0 1.06 ? 21 LYS A HD3 3 21 . A ATOM 1197 H HE2 . LYS A 1 21 ? 5.268 -10.158 -4.638 1.0 1.11 ? 21 LYS A HE2 3 21 . A ATOM 1198 H HE3 . LYS A 1 21 ? 4.069 -8.957 -4.160 1.0 1.19 ? 21 LYS A HE3 3 21 . A ATOM 1199 H HZ1 . LYS A 1 21 ? 3.488 -10.011 -6.254 1.0 1.84 ? 21 LYS A HZ1 3 21 . A ATOM 1200 H HZ2 . LYS A 1 21 ? 4.947 -9.507 -6.945 1.0 1.52 ? 21 LYS A HZ2 3 21 . A ATOM 1201 H HZ3 . LYS A 1 21 ? 3.790 -8.362 -6.485 1.0 2.1 ? 21 LYS A HZ3 3 21 . A ATOM 1202 N N . ARG A 1 22 ? 10.005 -5.217 -2.059 1.0 0.56 ? 22 ARG A N 3 22 . A ATOM 1203 C CA . ARG A 1 22 ? 11.345 -4.622 -2.163 1.0 0.56 ? 22 ARG A CA 3 22 . A ATOM 1204 C C . ARG A 1 22 ? 12.087 -4.687 -0.822 1.0 0.52 ? 22 ARG A C 3 22 . A ATOM 1205 O O . ARG A 1 22 ? 13.320 -4.703 -0.792 1.0 0.66 ? 22 ARG A O 3 22 . A ATOM 1206 C CB . ARG A 1 22 ? 11.255 -3.171 -2.643 1.0 0.63 ? 22 ARG A CB 3 22 . A ATOM 1207 C CG . ARG A 1 22 ? 11.003 -3.038 -4.138 1.0 0.92 ? 22 ARG A CG 3 22 . A ATOM 1208 C CD . ARG A 1 22 ? 10.922 -1.581 -4.567 1.0 1.04 ? 22 ARG A CD 3 22 . A ATOM 1209 N NE . ARG A 1 22 ? 10.670 -1.447 -6.006 1.0 1.25 ? 22 ARG A NE 3 22 . A ATOM 1210 C CZ . ARG A 1 22 ? 10.522 -0.281 -6.651 1.0 1.56 ? 22 ARG A CZ 3 22 . A ATOM 1211 N NH1 . ARG A 1 22 ? 10.596 0.880 -6.004 1.0 1.61 1 22 ARG A NH1 3 22 . A ATOM 1212 N NH2 . ARG A 1 22 ? 10.296 -0.281 -7.957 1.0 2.06 ? 22 ARG A NH2 3 22 . A ATOM 1213 H H . ARG A 1 22 ? 9.234 -4.624 -1.941 1.0 0.61 ? 22 ARG A H 3 22 . A ATOM 1214 H HA . ARG A 1 22 ? 11.900 -5.196 -2.891 1.0 0.67 ? 22 ARG A HA 3 22 . A ATOM 1215 H HB2 . ARG A 1 22 ? 10.448 -2.680 -2.118 1.0 0.98 ? 22 ARG A HB2 3 22 . A ATOM 1216 H HB3 . ARG A 1 22 ? 12.182 -2.669 -2.410 1.0 0.82 ? 22 ARG A HB3 3 22 . A ATOM 1217 H HG2 . ARG A 1 22 ? 11.810 -3.515 -4.673 1.0 1.19 ? 22 ARG A HG2 3 22 . A ATOM 1218 H HG3 . ARG A 1 22 ? 10.070 -3.527 -4.380 1.0 1.48 ? 22 ARG A HG3 3 22 . A ATOM 1219 H HD2 . ARG A 1 22 ? 10.120 -1.103 -4.025 1.0 1.28 ? 22 ARG A HD2 3 22 . A ATOM 1220 H HD3 . ARG A 1 22 ? 11.857 -1.096 -4.329 1.0 1.34 ? 22 ARG A HD3 3 22 . A ATOM 1221 H HE . ARG A 1 22 ? 10.606 -2.276 -6.527 1.0 1.43 ? 22 ARG A HE 3 22 . A ATOM 1222 H HH11 . ARG A 1 22 ? 10.765 0.894 -5.019 1.0 1.53 ? 22 ARG A HH11 3 22 . A ATOM 1223 H HH12 . ARG A 1 22 ? 10.483 1.739 -6.504 1.0 1.91 ? 22 ARG A HH12 3 22 . A ATOM 1224 H HH21 . ARG A 1 22 ? 10.238 -1.147 -8.454 1.0 2.25 ? 22 ARG A HH21 3 22 . A ATOM 1225 H HH22 . ARG A 1 22 ? 10.184 0.584 -8.445 1.0 2.34 ? 22 ARG A HH22 3 22 . A ATOM 1226 N N . LYS A 1 23 ? 11.319 -4.729 0.280 1.0 0.54 ? 23 LYS A N 3 23 . A ATOM 1227 C CA . LYS A 1 23 ? 11.885 -4.813 1.632 1.0 0.58 ? 23 LYS A CA 3 23 . A ATOM 1228 C C . LYS A 1 23 ? 12.150 -6.268 2.037 1.0 0.55 ? 23 LYS A C 3 23 . A ATOM 1229 O O . LYS A 1 23 ? 12.995 -6.532 2.898 1.0 0.59 ? 23 LYS A O 3 23 . A ATOM 1230 C CB . LYS A 1 23 ? 10.947 -4.157 2.646 1.0 0.76 ? 23 LYS A CB 3 23 . A ATOM 1231 C CG . LYS A 1 23 ? 11.127 -2.652 2.756 1.0 0.87 ? 23 LYS A CG 3 23 . A ATOM 1232 C CD . LYS A 1 23 ? 10.228 -2.060 3.831 1.0 0.92 ? 23 LYS A CD 3 23 . A ATOM 1233 C CE . LYS A 1 23 ? 10.605 -0.620 4.146 1.0 1.04 ? 23 LYS A CE 3 23 . A ATOM 1234 N NZ . LYS A 1 23 ? 11.835 -0.532 4.983 1.0 1.28 1 23 LYS A NZ 3 23 . A ATOM 1235 H H . LYS A 1 23 ? 10.345 -4.701 0.177 1.0 0.65 ? 23 LYS A H 3 23 . A ATOM 1236 H HA . LYS A 1 23 ? 12.824 -4.279 1.629 1.0 0.61 ? 23 LYS A HA 3 23 . A ATOM 1237 H HB2 . LYS A 1 23 ? 9.926 -4.355 2.355 1.0 0.93 ? 23 LYS A HB2 3 23 . A ATOM 1238 H HB3 . LYS A 1 23 ? 11.125 -4.592 3.618 1.0 0.93 ? 23 LYS A HB3 3 23 . A ATOM 1239 H HG2 . LYS A 1 23 ? 12.156 -2.440 3.005 1.0 1.19 ? 23 LYS A HG2 3 23 . A ATOM 1240 H HG3 . LYS A 1 23 ? 10.884 -2.200 1.806 1.0 1.25 ? 23 LYS A HG3 3 23 . A ATOM 1241 H HD2 . LYS A 1 23 ? 9.205 -2.085 3.485 1.0 1.26 ? 23 LYS A HD2 3 23 . A ATOM 1242 H HD3 . LYS A 1 23 ? 10.319 -2.652 4.730 1.0 1.17 ? 23 LYS A HD3 3 23 . A ATOM 1243 H HE2 . LYS A 1 23 ? 10.778 -0.097 3.218 1.0 1.4 ? 23 LYS A HE2 3 23 . A ATOM 1244 H HE3 . LYS A 1 23 ? 9.786 -0.154 4.674 1.0 1.42 ? 23 LYS A HE3 3 23 . A ATOM 1245 H HZ1 . LYS A 1 23 ? 11.688 -1.020 5.889 1.0 1.46 ? 23 LYS A HZ1 3 23 . A ATOM 1246 H HZ2 . LYS A 1 23 ? 12.067 0.464 5.173 1.0 1.73 ? 23 LYS A HZ2 3 23 . A ATOM 1247 H HZ3 . LYS A 1 23 ? 12.636 -0.974 4.488 1.0 1.85 ? 23 LYS A HZ3 3 23 . A ATOM 1248 N N . ARG A 1 24 ? 11.422 -7.200 1.406 1.0 0.6 ? 24 ARG A N 3 24 . A ATOM 1249 C CA . ARG A 1 24 ? 11.566 -8.634 1.679 1.0 0.7 ? 24 ARG A CA 3 24 . A ATOM 1250 C C . ARG A 1 24 ? 12.614 -9.269 0.758 1.0 0.66 ? 24 ARG A C 3 24 . A ATOM 1251 O O . ARG A 1 24 ? 13.315 -10.201 1.162 1.0 0.76 ? 24 ARG A O 3 24 . A ATOM 1252 C CB . ARG A 1 24 ? 10.218 -9.338 1.500 1.0 0.89 ? 24 ARG A CB 3 24 . A ATOM 1253 C CG . ARG A 1 24 ? 9.980 -10.483 2.474 1.0 1.36 ? 24 ARG A CG 3 24 . A ATOM 1254 C CD . ARG A 1 24 ? 8.621 -11.124 2.245 1.0 1.41 ? 24 ARG A CD 3 24 . A ATOM 1255 N NE . ARG A 1 24 ? 8.338 -12.185 3.216 1.0 1.42 ? 24 ARG A NE 3 24 . A ATOM 1256 C CZ . ARG A 1 24 ? 7.215 -12.917 3.237 1.0 1.54 ? 24 ARG A CZ 3 24 . A ATOM 1257 N NH1 . ARG A 1 24 ? 6.248 -12.721 2.343 1.0 1.76 1 24 ARG A NH1 3 24 . A ATOM 1258 N NH2 . ARG A 1 24 ? 7.061 -13.853 4.162 1.0 1.78 ? 24 ARG A NH2 3 24 . A ATOM 1259 H H . ARG A 1 24 ? 10.767 -6.912 0.736 1.0 0.65 ? 24 ARG A H 3 24 . A ATOM 1260 H HA . ARG A 1 24 ? 11.887 -8.745 2.704 1.0 0.76 ? 24 ARG A HA 3 24 . A ATOM 1261 H HB2 . ARG A 1 24 ? 9.428 -8.613 1.633 1.0 0.92 ? 24 ARG A HB2 3 24 . A ATOM 1262 H HB3 . ARG A 1 24 ? 10.165 -9.732 0.496 1.0 1.17 ? 24 ARG A HB3 3 24 . A ATOM 1263 H HG2 . ARG A 1 24 ? 10.747 -11.229 2.334 1.0 1.78 ? 24 ARG A HG2 3 24 . A ATOM 1264 H HG3 . ARG A 1 24 ? 10.024 -10.101 3.484 1.0 1.59 ? 24 ARG A HG3 3 24 . A ATOM 1265 H HD2 . ARG A 1 24 ? 7.859 -10.362 2.329 1.0 1.52 ? 24 ARG A HD2 3 24 . A ATOM 1266 H HD3 . ARG A 1 24 ? 8.599 -11.544 1.251 1.0 1.59 ? 24 ARG A HD3 3 24 . A ATOM 1267 H HE . ARG A 1 24 ? 9.023 -12.366 3.894 1.0 1.58 ? 24 ARG A HE 3 24 . A ATOM 1268 H HH11 . ARG A 1 24 ? 6.352 -12.017 1.640 1.0 1.84 ? 24 ARG A HH11 3 24 . A ATOM 1269 H HH12 . ARG A 1 24 ? 5.417 -13.277 2.374 1.0 2.01 ? 24 ARG A HH12 3 24 . A ATOM 1270 H HH21 . ARG A 1 24 ? 7.779 -14.010 4.839 1.0 1.94 ? 24 ARG A HH21 3 24 . A ATOM 1271 H HH22 . ARG A 1 24 ? 6.225 -14.402 4.183 1.0 1.96 ? 24 ARG A HH22 3 24 . A ATOM 1272 N N . GLN A 1 25 ? 12.711 -8.754 -0.478 1.0 0.59 ? 25 GLN A N 3 25 . A ATOM 1273 C CA . GLN A 1 25 ? 13.672 -9.260 -1.466 1.0 0.62 ? 25 GLN A CA 3 25 . A ATOM 1274 C C . GLN A 1 25 ? 15.015 -8.530 -1.365 1.0 0.58 ? 25 GLN A C 3 25 . A ATOM 1275 O O . GLN A 1 25 ? 16.073 -9.160 -1.444 1.0 0.68 ? 25 GLN A O 3 25 . A ATOM 1276 C CB . GLN A 1 25 ? 13.109 -9.128 -2.887 1.0 0.7 ? 25 GLN A CB 3 25 . A ATOM 1277 C CG . GLN A 1 25 ? 11.979 -10.106 -3.198 1.0 1.11 ? 25 GLN A CG 3 25 . A ATOM 1278 C CD . GLN A 1 25 ? 11.421 -9.960 -4.607 1.0 1.18 ? 25 GLN A CD 3 25 . A ATOM 1279 O OE1 . GLN A 1 25 ? 12.141 -9.634 -5.555 1.0 1.5 ? 25 GLN A OE1 3 25 . A ATOM 1280 N NE2 . GLN A 1 25 ? 10.123 -10.201 -4.751 1.0 1.28 ? 25 GLN A NE2 3 25 . A ATOM 1281 H H . GLN A 1 25 ? 12.118 -8.015 -0.730 1.0 0.59 ? 25 GLN A H 3 25 . A ATOM 1282 H HA . GLN A 1 25 ? 13.835 -10.306 -1.255 1.0 0.73 ? 25 GLN A HA 3 25 . A ATOM 1283 H HB2 . GLN A 1 25 ? 12.732 -8.124 -3.019 1.0 0.73 ? 25 GLN A HB2 3 25 . A ATOM 1284 H HB3 . GLN A 1 25 ? 13.907 -9.298 -3.595 1.0 1.04 ? 25 GLN A HB3 3 25 . A ATOM 1285 H HG2 . GLN A 1 25 ? 12.353 -11.112 -3.082 1.0 1.51 ? 25 GLN A HG2 3 25 . A ATOM 1286 H HG3 . GLN A 1 25 ? 11.178 -9.941 -2.492 1.0 1.3 ? 25 GLN A HG3 3 25 . A ATOM 1287 H HE21 . GLN A 1 25 ? 9.609 -10.455 -3.956 1.0 1.53 ? 25 GLN A HE21 3 25 . A ATOM 1288 H HE22 . GLN A 1 25 ? 9.733 -10.116 -5.645 1.0 1.31 ? 25 GLN A HE22 3 25 . A ATOM 1289 N N . GLN A 1 26 ? 14.960 -7.202 -1.190 1.0 0.55 ? 26 GLN A N 3 26 . A ATOM 1290 C CA . GLN A 1 26 ? 16.168 -6.381 -1.074 1.0 0.64 ? 26 GLN A CA 3 26 . A ATOM 1291 C C . GLN A 1 26 ? 16.401 -5.947 0.376 1.0 0.76 ? 26 GLN A C 3 26 . A ATOM 1292 O O . GLN A 1 26 ? 17.495 -6.109 0.917 1.0 0.87 ? 26 GLN A O 3 26 . A ATOM 1293 C CB . GLN A 1 26 ? 16.083 -5.153 -1.991 1.0 0.78 ? 26 GLN A CB 3 26 . A ATOM 1294 C CG . GLN A 1 26 ? 16.239 -5.479 -3.469 1.0 0.82 ? 26 GLN A CG 3 26 . A ATOM 1295 C CD . GLN A 1 26 ? 16.139 -4.249 -4.348 1.0 1.06 ? 26 GLN A CD 3 26 . A ATOM 1296 O OE1 . GLN A 1 26 ? 15.055 -3.880 -4.798 1.0 1.31 ? 26 GLN A OE1 3 26 . A ATOM 1297 N NE2 . GLN A 1 26 ? 17.275 -3.608 -4.597 1.0 1.13 ? 26 GLN A NE2 3 26 . A ATOM 1298 H H . GLN A 1 26 ? 14.083 -6.766 -1.142 1.0 0.55 ? 26 GLN A H 3 26 . A ATOM 1299 H HA . GLN A 1 26 ? 17.004 -6.989 -1.386 1.0 0.63 ? 26 GLN A HA 3 26 . A ATOM 1300 H HB2 . GLN A 1 26 ? 15.123 -4.679 -1.850 1.0 0.84 ? 26 GLN A HB2 3 26 . A ATOM 1301 H HB3 . GLN A 1 26 ? 16.861 -4.458 -1.714 1.0 0.89 ? 26 GLN A HB3 3 26 . A ATOM 1302 H HG2 . GLN A 1 26 ? 17.205 -5.936 -3.623 1.0 0.8 ? 26 GLN A HG2 3 26 . A ATOM 1303 H HG3 . GLN A 1 26 ? 15.463 -6.174 -3.755 1.0 0.78 ? 26 GLN A HG3 3 26 . A ATOM 1304 H HE21 . GLN A 1 26 ? 18.101 -3.959 -4.204 1.0 1.11 ? 26 GLN A HE21 3 26 . A ATOM 1305 H HE22 . GLN A 1 26 ? 17.240 -2.808 -5.163 1.0 1.29 ? 26 GLN A HE22 3 26 . A HETATM 1306 N N . NH2 A 1 27 ? 15.361 -5.393 0.996 1.0 0.84 ? 27 NH2 A N 3 27 . A HETATM 1307 H HN1 . NH2 A 1 27 ? 14.522 -5.298 0.499 1.0 0.81 ? 27 NH2 A HN1 3 27 . A HETATM 1308 H HN2 . NH2 A 1 27 ? 15.477 -5.102 1.925 1.0 0.97 ? 27 NH2 A HN2 3 27 . A ATOM 1309 N N . GLY A 1 1 ? -13.765 8.593 9.879 1.0 2.35 ? 1 GLY A N 4 1 . A ATOM 1310 C CA . GLY A 1 1 ? -14.632 8.925 8.716 1.0 1.58 ? 1 GLY A CA 4 1 . A ATOM 1311 C C . GLY A 1 1 ? -14.503 7.918 7.590 1.0 1.16 ? 1 GLY A C 4 1 . A ATOM 1312 O O . GLY A 1 1 ? -13.391 7.631 7.132 1.0 1.12 ? 1 GLY A O 4 1 . A ATOM 1313 H H1 . GLY A 1 1 ? -12.766 8.574 9.587 1.0 2.47 ? 1 GLY A H1 4 1 . A ATOM 1314 H H2 . GLY A 1 1 ? -14.020 7.659 10.260 1.0 2.69 ? 1 GLY A H2 4 1 . A ATOM 1315 H H3 . GLY A 1 1 ? -13.883 9.304 10.628 1.0 2.71 ? 1 GLY A H3 4 1 . A ATOM 1316 H HA2 . GLY A 1 1 ? -15.660 8.951 9.044 1.0 1.5 ? 1 GLY A HA2 4 1 . A ATOM 1317 H HA3 . GLY A 1 1 ? -14.359 9.902 8.344 1.0 1.88 ? 1 GLY A HA3 4 1 . A ATOM 1318 N N . ILE A 1 2 ? -15.654 7.396 7.133 1.0 1.2 ? 2 ILE A N 4 2 . A ATOM 1319 C CA . ILE A 1 2 ? -15.711 6.397 6.049 1.0 1.08 ? 2 ILE A CA 4 2 . A ATOM 1320 C C . ILE A 1 2 ? -15.117 6.945 4.728 1.0 1.43 ? 2 ILE A C 4 2 . A ATOM 1321 O O . ILE A 1 2 ? -14.456 6.209 3.984 1.0 2.45 ? 2 ILE A O 4 2 . A ATOM 1322 C CB . ILE A 1 2 ? -17.181 5.869 5.848 1.0 1.15 ? 2 ILE A CB 4 2 . A ATOM 1323 C CG1 . ILE A 1 2 ? -17.231 4.662 4.889 1.0 1.4 ? 2 ILE A CG1 4 2 . A ATOM 1324 C CG2 . ILE A 1 2 ? -18.134 6.968 5.366 1.0 1.45 ? 2 ILE A CG2 4 2 . A ATOM 1325 C CD1 . ILE A 1 2 ? -16.916 3.334 5.551 1.0 1.69 ? 2 ILE A CD1 4 2 . A ATOM 1326 H H . ILE A 1 2 ? -16.495 7.695 7.538 1.0 1.54 ? 2 ILE A H 4 2 . A ATOM 1327 H HA . ILE A 1 2 ? -15.107 5.558 6.362 1.0 1.12 ? 2 ILE A HA 4 2 . A ATOM 1328 H HB . ILE A 1 2 ? -17.537 5.546 6.815 1.0 1.36 ? 2 ILE A HB 4 2 . A ATOM 1329 H HG12 . ILE A 1 2 ? -18.220 4.591 4.463 1.0 1.59 ? 2 ILE A HG12 4 2 . A ATOM 1330 H HG13 . ILE A 1 2 ? -16.515 4.815 4.094 1.0 1.58 ? 2 ILE A HG13 4 2 . A ATOM 1331 H HG21 . ILE A 1 2 ? -19.128 6.560 5.259 1.0 1.73 ? 2 ILE A HG21 4 2 . A ATOM 1332 H HG22 . ILE A 1 2 ? -17.795 7.345 4.413 1.0 1.49 ? 2 ILE A HG22 4 2 . A ATOM 1333 H HG23 . ILE A 1 2 ? -18.150 7.772 6.087 1.0 1.68 ? 2 ILE A HG23 4 2 . A ATOM 1334 H HD11 . ILE A 1 2 ? -17.624 3.152 6.346 1.0 2.05 ? 2 ILE A HD11 4 2 . A ATOM 1335 H HD12 . ILE A 1 2 ? -15.916 3.363 5.957 1.0 1.74 ? 2 ILE A HD12 4 2 . A ATOM 1336 H HD13 . ILE A 1 2 ? -16.985 2.542 4.819 1.0 1.76 ? 2 ILE A HD13 4 2 . A ATOM 1337 N N . GLY A 1 3 ? -15.346 8.244 4.474 1.0 1.01 ? 3 GLY A N 4 3 . A ATOM 1338 C CA . GLY A 1 3 ? -14.847 8.894 3.263 1.0 1.23 ? 3 GLY A CA 4 3 . A ATOM 1339 C C . GLY A 1 3 ? -13.337 9.096 3.262 1.0 0.93 ? 3 GLY A C 4 3 . A ATOM 1340 O O . GLY A 1 3 ? -12.704 9.032 2.204 1.0 1.16 ? 3 GLY A O 4 3 . A ATOM 1341 H H . GLY A 1 3 ? -15.863 8.767 5.121 1.0 1.23 ? 3 GLY A H 4 3 . A ATOM 1342 H HA2 . GLY A 1 3 ? -15.115 8.289 2.410 1.0 1.67 ? 3 GLY A HA2 4 3 . A ATOM 1343 H HA3 . GLY A 1 3 ? -15.326 9.858 3.167 1.0 1.55 ? 3 GLY A HA3 4 3 . A ATOM 1344 N N . ALA A 1 4 ? -12.764 9.325 4.455 1.0 0.96 ? 4 ALA A N 4 4 . A ATOM 1345 C CA . ALA A 1 4 ? -11.319 9.532 4.609 1.0 0.91 ? 4 ALA A CA 4 4 . A ATOM 1346 C C . ALA A 1 4 ? -10.552 8.208 4.518 1.0 0.91 ? 4 ALA A C 4 4 . A ATOM 1347 O O . ALA A 1 4 ? -9.541 8.117 3.806 1.0 1.37 ? 4 ALA A O 4 4 . A ATOM 1348 C CB . ALA A 1 4 ? -11.023 10.238 5.926 1.0 1.32 ? 4 ALA A CB 4 4 . A ATOM 1349 H H . ALA A 1 4 ? -13.332 9.355 5.253 1.0 1.33 ? 4 ALA A H 4 4 . A ATOM 1350 H HA . ALA A 1 4 ? -10.992 10.176 3.804 1.0 1.01 ? 4 ALA A HA 4 4 . A ATOM 1351 H HB1 . ALA A 1 4 ? -9.971 10.479 5.977 1.0 1.53 ? 4 ALA A HB1 4 4 . A ATOM 1352 H HB2 . ALA A 1 4 ? -11.285 9.589 6.749 1.0 1.55 ? 4 ALA A HB2 4 4 . A ATOM 1353 H HB3 . ALA A 1 4 ? -11.603 11.147 5.985 1.0 1.62 ? 4 ALA A HB3 4 4 . A ATOM 1354 N N . VAL A 1 5 ? -11.055 7.176 5.225 1.0 0.84 ? 5 VAL A N 4 5 . A ATOM 1355 C CA . VAL A 1 5 ? -10.431 5.839 5.217 1.0 0.86 ? 5 VAL A CA 4 5 . A ATOM 1356 C C . VAL A 1 5 ? -10.505 5.195 3.823 1.0 0.72 ? 5 VAL A C 4 5 . A ATOM 1357 O O . VAL A 1 5 ? -9.562 4.529 3.387 1.0 0.86 ? 5 VAL A O 4 5 . A ATOM 1358 C CB . VAL A 1 5 ? -11.051 4.871 6.272 1.0 1.06 ? 5 VAL A CB 4 5 . A ATOM 1359 C CG1 . VAL A 1 5 ? -10.564 5.225 7.669 1.0 1.28 ? 5 VAL A CG1 4 5 . A ATOM 1360 C CG2 . VAL A 1 5 ? -12.580 4.868 6.232 1.0 1.11 ? 5 VAL A CG2 4 5 . A ATOM 1361 H H . VAL A 1 5 ? -11.862 7.319 5.763 1.0 1.11 ? 5 VAL A H 4 5 . A ATOM 1362 H HA . VAL A 1 5 ? -9.389 5.974 5.471 1.0 0.96 ? 5 VAL A HA 4 5 . A ATOM 1363 H HB . VAL A 1 5 ? -10.708 3.871 6.047 1.0 1.11 ? 5 VAL A HB 4 5 . A ATOM 1364 H HG11 . VAL A 1 5 ? -10.989 4.534 8.383 1.0 1.45 ? 5 VAL A HG11 4 5 . A ATOM 1365 H HG12 . VAL A 1 5 ? -10.873 6.230 7.914 1.0 1.25 ? 5 VAL A HG12 4 5 . A ATOM 1366 H HG13 . VAL A 1 5 ? -9.487 5.160 7.703 1.0 1.33 ? 5 VAL A HG13 4 5 . A ATOM 1367 H HG21 . VAL A 1 5 ? -12.914 4.618 5.235 1.0 1.32 ? 5 VAL A HG21 4 5 . A ATOM 1368 H HG22 . VAL A 1 5 ? -12.944 5.848 6.499 1.0 1.19 ? 5 VAL A HG22 4 5 . A ATOM 1369 H HG23 . VAL A 1 5 ? -12.957 4.138 6.933 1.0 1.46 ? 5 VAL A HG23 4 5 . A ATOM 1370 N N . LEU A 1 6 ? -11.633 5.431 3.129 1.0 0.63 ? 6 LEU A N 4 6 . A ATOM 1371 C CA . LEU A 1 6 ? -11.854 4.897 1.779 1.0 0.66 ? 6 LEU A CA 4 6 . A ATOM 1372 C C . LEU A 1 6 ? -11.010 5.650 0.740 1.0 0.68 ? 6 LEU A C 4 6 . A ATOM 1373 O O . LEU A 1 6 ? -10.477 5.036 -0.187 1.0 1.05 ? 6 LEU A O 4 6 . A ATOM 1374 C CB . LEU A 1 6 ? -13.346 4.979 1.415 1.0 0.8 ? 6 LEU A CB 4 6 . A ATOM 1375 C CG . LEU A 1 6 ? -13.820 4.025 0.306 1.0 0.91 ? 6 LEU A CG 4 6 . A ATOM 1376 C CD1 . LEU A 1 6 ? -14.170 2.655 0.875 1.0 1.08 ? 6 LEU A CD1 4 6 . A ATOM 1377 C CD2 . LEU A 1 6 ? -15.014 4.617 -0.428 1.0 1.13 ? 6 LEU A CD2 4 6 . A ATOM 1378 H H . LEU A 1 6 ? -12.334 5.979 3.539 1.0 0.71 ? 6 LEU A H 4 6 . A ATOM 1379 H HA . LEU A 1 6 ? -11.552 3.860 1.783 1.0 0.75 ? 6 LEU A HA 4 6 . A ATOM 1380 H HB2 . LEU A 1 6 ? -13.920 4.769 2.306 1.0 0.88 ? 6 LEU A HB2 4 6 . A ATOM 1381 H HB3 . LEU A 1 6 ? -13.560 5.990 1.103 1.0 0.89 ? 6 LEU A HB3 4 6 . A ATOM 1382 H HG . LEU A 1 6 ? -13.021 3.893 -0.409 1.0 1.1 ? 6 LEU A HG 4 6 . A ATOM 1383 H HD11 . LEU A 1 6 ? -14.525 2.015 0.080 1.0 1.22 ? 6 LEU A HD11 4 6 . A ATOM 1384 H HD12 . LEU A 1 6 ? -14.942 2.762 1.622 1.0 1.49 ? 6 LEU A HD12 4 6 . A ATOM 1385 H HD13 . LEU A 1 6 ? -13.291 2.216 1.325 1.0 1.18 ? 6 LEU A HD13 4 6 . A ATOM 1386 H HD21 . LEU A 1 6 ? -15.805 4.821 0.278 1.0 1.24 ? 6 LEU A HD21 4 6 . A ATOM 1387 H HD22 . LEU A 1 6 ? -15.365 3.914 -1.169 1.0 1.27 ? 6 LEU A HD22 4 6 . A ATOM 1388 H HD23 . LEU A 1 6 ? -14.719 5.536 -0.914 1.0 1.31 ? 6 LEU A HD23 4 6 . A ATOM 1389 N N . LYS A 1 7 ? -10.881 6.977 0.917 1.0 0.57 ? 7 LYS A N 4 7 . A ATOM 1390 C CA . LYS A 1 7 ? -10.097 7.821 -0.002 1.0 0.64 ? 7 LYS A CA 4 7 . A ATOM 1391 C C . LYS A 1 7 ? -8.582 7.629 0.199 1.0 0.66 ? 7 LYS A C 4 7 . A ATOM 1392 O O . LYS A 1 7 ? -7.783 8.091 -0.621 1.0 0.74 ? 7 LYS A O 4 7 . A ATOM 1393 C CB . LYS A 1 7 ? -10.468 9.299 0.186 1.0 0.73 ? 7 LYS A CB 4 7 . A ATOM 1394 C CG . LYS A 1 7 ? -10.359 10.132 -1.086 1.0 1.05 ? 7 LYS A CG 4 7 . A ATOM 1395 C CD . LYS A 1 7 ? -10.688 11.596 -0.826 1.0 1.19 ? 7 LYS A CD 4 7 . A ATOM 1396 C CE . LYS A 1 7 ? -10.702 12.411 -2.112 1.0 1.59 ? 7 LYS A CE 4 7 . A ATOM 1397 N NZ . LYS A 1 7 ? -11.912 12.138 -2.940 1.0 1.52 1 7 LYS A NZ 4 7 . A ATOM 1398 H H . LYS A 1 7 ? -11.322 7.397 1.684 1.0 0.69 ? 7 LYS A H 4 7 . A ATOM 1399 H HA . LYS A 1 7 ? -10.349 7.525 -1.010 1.0 0.7 ? 7 LYS A HA 4 7 . A ATOM 1400 H HB2 . LYS A 1 7 ? -11.486 9.359 0.541 1.0 0.78 ? 7 LYS A HB2 4 7 . A ATOM 1401 H HB3 . LYS A 1 7 ? -9.812 9.730 0.928 1.0 0.92 ? 7 LYS A HB3 4 7 . A ATOM 1402 H HG2 . LYS A 1 7 ? -9.351 10.063 -1.465 1.0 1.52 ? 7 LYS A HG2 4 7 . A ATOM 1403 H HG3 . LYS A 1 7 ? -11.050 9.742 -1.820 1.0 1.25 ? 7 LYS A HG3 4 7 . A ATOM 1404 H HD2 . LYS A 1 7 ? -11.661 11.659 -0.363 1.0 1.19 ? 7 LYS A HD2 4 7 . A ATOM 1405 H HD3 . LYS A 1 7 ? -9.944 12.007 -0.159 1.0 1.49 ? 7 LYS A HD3 4 7 . A ATOM 1406 H HE2 . LYS A 1 7 ? -10.683 13.460 -1.857 1.0 1.94 ? 7 LYS A HE2 4 7 . A ATOM 1407 H HE3 . LYS A 1 7 ? -9.821 12.166 -2.687 1.0 2.19 ? 7 LYS A HE3 4 7 . A ATOM 1408 H HZ1 . LYS A 1 7 ? -11.968 11.124 -3.167 1.0 2.02 ? 7 LYS A HZ1 4 7 . A ATOM 1409 H HZ2 . LYS A 1 7 ? -11.867 12.678 -3.828 1.0 1.72 ? 7 LYS A HZ2 4 7 . A ATOM 1410 H HZ3 . LYS A 1 7 ? -12.770 12.415 -2.421 1.0 1.75 ? 7 LYS A HZ3 4 7 . A ATOM 1411 N N . VAL A 1 8 ? -8.203 6.950 1.291 1.0 0.65 ? 8 VAL A N 4 8 . A ATOM 1412 C CA . VAL A 1 8 ? -6.792 6.686 1.590 1.0 0.75 ? 8 VAL A CA 4 8 . A ATOM 1413 C C . VAL A 1 8 ? -6.448 5.184 1.431 1.0 0.73 ? 8 VAL A C 4 8 . A ATOM 1414 O O . VAL A 1 8 ? -5.275 4.807 1.511 1.0 1.09 ? 8 VAL A O 4 8 . A ATOM 1415 C CB . VAL A 1 8 ? -6.414 7.213 3.017 1.0 0.88 ? 8 VAL A CB 4 8 . A ATOM 1416 C CG1 . VAL A 1 8 ? -7.004 6.350 4.133 1.0 0.99 ? 8 VAL A CG1 4 8 . A ATOM 1417 C CG2 . VAL A 1 8 ? -4.901 7.346 3.180 1.0 0.86 ? 8 VAL A CG2 4 8 . A ATOM 1418 H H . VAL A 1 8 ? -8.889 6.620 1.908 1.0 0.62 ? 8 VAL A H 4 8 . A ATOM 1419 H HA . VAL A 1 8 ? -6.206 7.241 0.870 1.0 0.81 ? 8 VAL A HA 4 8 . A ATOM 1420 H HB . VAL A 1 8 ? -6.838 8.203 3.117 1.0 0.96 ? 8 VAL A HB 4 8 . A ATOM 1421 H HG11 . VAL A 1 8 ? -7.946 5.937 3.804 1.0 1.09 ? 8 VAL A HG11 4 8 . A ATOM 1422 H HG12 . VAL A 1 8 ? -7.164 6.956 5.014 1.0 0.94 ? 8 VAL A HG12 4 8 . A ATOM 1423 H HG13 . VAL A 1 8 ? -6.321 5.547 4.367 1.0 1.05 ? 8 VAL A HG13 4 8 . A ATOM 1424 H HG21 . VAL A 1 8 ? -4.676 7.695 4.177 1.0 1.28 ? 8 VAL A HG21 4 8 . A ATOM 1425 H HG22 . VAL A 1 8 ? -4.521 8.053 2.457 1.0 1.02 ? 8 VAL A HG22 4 8 . A ATOM 1426 H HG23 . VAL A 1 8 ? -4.436 6.384 3.022 1.0 1.3 ? 8 VAL A HG23 4 8 . A ATOM 1427 N N . LEU A 1 9 ? -7.473 4.347 1.204 1.0 0.61 ? 9 LEU A N 4 9 . A ATOM 1428 C CA . LEU A 1 9 ? -7.273 2.902 1.047 1.0 0.66 ? 9 LEU A CA 4 9 . A ATOM 1429 C C . LEU A 1 9 ? -7.455 2.437 -0.401 1.0 0.63 ? 9 LEU A C 4 9 . A ATOM 1430 O O . LEU A 1 9 ? -6.679 1.605 -0.881 1.0 0.8 ? 9 LEU A O 4 9 . A ATOM 1431 C CB . LEU A 1 9 ? -8.225 2.120 1.967 1.0 0.82 ? 9 LEU A CB 4 9 . A ATOM 1432 C CG . LEU A 1 9 ? -7.779 1.988 3.431 1.0 0.99 ? 9 LEU A CG 4 9 . A ATOM 1433 C CD1 . LEU A 1 9 ? -8.976 1.713 4.329 1.0 1.17 ? 9 LEU A CD1 4 9 . A ATOM 1434 C CD2 . LEU A 1 9 ? -6.743 0.877 3.589 1.0 1.19 ? 9 LEU A CD2 4 9 . A ATOM 1435 H H . LEU A 1 9 ? -8.381 4.711 1.142 1.0 0.78 ? 9 LEU A H 4 9 . A ATOM 1436 H HA . LEU A 1 9 ? -6.259 2.685 1.345 1.0 0.73 ? 9 LEU A HA 4 9 . A ATOM 1437 H HB2 . LEU A 1 9 ? -9.187 2.612 1.951 1.0 0.84 ? 9 LEU A HB2 4 9 . A ATOM 1438 H HB3 . LEU A 1 9 ? -8.344 1.126 1.561 1.0 0.9 ? 9 LEU A HB3 4 9 . A ATOM 1439 H HG . LEU A 1 9 ? -7.328 2.916 3.750 1.0 1.16 ? 9 LEU A HG 4 9 . A ATOM 1440 H HD11 . LEU A 1 9 ? -8.642 1.602 5.350 1.0 1.48 ? 9 LEU A HD11 4 9 . A ATOM 1441 H HD12 . LEU A 1 9 ? -9.465 0.804 4.010 1.0 1.24 ? 9 LEU A HD12 4 9 . A ATOM 1442 H HD13 . LEU A 1 9 ? -9.671 2.537 4.265 1.0 1.43 ? 9 LEU A HD13 4 9 . A ATOM 1443 H HD21 . LEU A 1 9 ? -6.460 0.793 4.627 1.0 1.29 ? 9 LEU A HD21 4 9 . A ATOM 1444 H HD22 . LEU A 1 9 ? -5.871 1.110 2.996 1.0 1.33 ? 9 LEU A HD22 4 9 . A ATOM 1445 H HD23 . LEU A 1 9 ? -7.166 -0.059 3.254 1.0 1.33 ? 9 LEU A HD23 4 9 . A ATOM 1446 N N . THR A 1 10 ? -8.473 2.972 -1.095 1.0 0.58 ? 10 THR A N 4 10 . A ATOM 1447 C CA . THR A 1 10 ? -8.752 2.584 -2.491 1.0 0.7 ? 10 THR A CA 4 10 . A ATOM 1448 C C . THR A 1 10 ? -7.910 3.378 -3.504 1.0 0.7 ? 10 THR A C 4 10 . A ATOM 1449 O O . THR A 1 10 ? -8.034 3.171 -4.717 1.0 0.88 ? 10 THR A O 4 10 . A ATOM 1450 C CB . THR A 1 10 ? -10.251 2.739 -2.849 1.0 0.82 ? 10 THR A CB 4 10 . A ATOM 1451 O OG1 . THR A 1 10 ? -10.696 4.071 -2.570 1.0 0.97 ? 10 THR A OG1 4 10 . A ATOM 1452 C CG2 . THR A 1 10 ? -11.111 1.737 -2.085 1.0 1.05 ? 10 THR A CG2 4 10 . A ATOM 1453 H H . THR A 1 10 ? -9.046 3.639 -0.662 1.0 0.61 ? 10 THR A H 4 10 . A ATOM 1454 H HA . THR A 1 10 ? -8.498 1.538 -2.589 1.0 0.8 ? 10 THR A HA 4 10 . A ATOM 1455 H HB . THR A 1 10 ? -10.369 2.550 -3.907 1.0 0.97 ? 10 THR A HB 4 10 . A ATOM 1456 H HG1 . THR A 1 10 ? -11.010 4.480 -3.379 1.0 1.15 ? 10 THR A HG1 4 10 . A ATOM 1457 H HG21 . THR A 1 10 ? -12.143 1.847 -2.382 1.0 1.35 ? 10 THR A HG21 4 10 . A ATOM 1458 H HG22 . THR A 1 10 ? -11.020 1.920 -1.024 1.0 1.45 ? 10 THR A HG22 4 10 . A ATOM 1459 H HG23 . THR A 1 10 ? -10.777 0.734 -2.307 1.0 1.46 ? 10 THR A HG23 4 10 . A ATOM 1460 N N . THR A 1 11 ? -7.047 4.271 -3.000 1.0 0.59 ? 11 THR A N 4 11 . A ATOM 1461 C CA . THR A 1 11 ? -6.185 5.093 -3.857 1.0 0.7 ? 11 THR A CA 4 11 . A ATOM 1462 C C . THR A 1 11 ? -4.799 4.469 -4.024 1.0 0.8 ? 11 THR A C 4 11 . A ATOM 1463 O O . THR A 1 11 ? -4.268 4.419 -5.137 1.0 1.51 ? 11 THR A O 4 11 . A ATOM 1464 C CB . THR A 1 11 ? -6.026 6.527 -3.305 1.0 0.65 ? 11 THR A CB 4 11 . A ATOM 1465 O OG1 . THR A 1 11 ? -5.736 6.489 -1.902 1.0 0.51 ? 11 THR A OG1 4 11 . A ATOM 1466 C CG2 . THR A 1 11 ? -7.285 7.349 -3.549 1.0 0.76 ? 11 THR A CG2 4 11 . A ATOM 1467 H H . THR A 1 11 ? -6.990 4.377 -2.028 1.0 0.51 ? 11 THR A H 4 11 . A ATOM 1468 H HA . THR A 1 11 ? -6.653 5.158 -4.828 1.0 0.88 ? 11 THR A HA 4 11 . A ATOM 1469 H HB . THR A 1 11 ? -5.202 7.002 -3.819 1.0 0.76 ? 11 THR A HB 4 11 . A ATOM 1470 H HG1 . THR A 1 11 ? -6.551 6.578 -1.403 1.0 0.97 ? 11 THR A HG1 4 11 . A ATOM 1471 H HG21 . THR A 1 11 ? -7.129 8.359 -3.200 1.0 1.28 ? 11 THR A HG21 4 11 . A ATOM 1472 H HG22 . THR A 1 11 ? -8.113 6.907 -3.015 1.0 1.01 ? 11 THR A HG22 4 11 . A ATOM 1473 H HG23 . THR A 1 11 ? -7.505 7.364 -4.606 1.0 1.16 ? 11 THR A HG23 4 11 . A ATOM 1474 N N . GLY A 1 12 ? -4.226 3.995 -2.911 1.0 0.88 ? 12 GLY A N 4 12 . A ATOM 1475 C CA . GLY A 1 12 ? -2.908 3.378 -2.941 1.0 0.94 ? 12 GLY A CA 4 12 . A ATOM 1476 C C . GLY A 1 12 ? -2.946 1.905 -2.585 1.0 0.89 ? 12 GLY A C 4 12 . A ATOM 1477 O O . GLY A 1 12 ? -3.294 1.544 -1.457 1.0 0.98 ? 12 GLY A O 4 12 . A ATOM 1478 H H . GLY A 1 12 ? -4.706 4.069 -2.059 1.0 1.39 ? 12 GLY A H 4 12 . A ATOM 1479 H HA2 . GLY A 1 12 ? -2.495 3.487 -3.932 1.0 1.07 ? 12 GLY A HA2 4 12 . A ATOM 1480 H HA3 . GLY A 1 12 ? -2.266 3.891 -2.238 1.0 0.97 ? 12 GLY A HA3 4 12 . A ATOM 1481 N N . LEU A 1 13 ? -2.586 1.059 -3.556 1.0 0.8 ? 13 LEU A N 4 13 . A ATOM 1482 C CA . LEU A 1 13 ? -2.569 -0.393 -3.365 1.0 0.75 ? 13 LEU A CA 4 13 . A ATOM 1483 C C . LEU A 1 13 ? -1.226 -1.022 -3.795 1.0 0.67 ? 13 LEU A C 4 13 . A ATOM 1484 O O . LEU A 1 13 ? -0.695 -1.849 -3.049 1.0 0.63 ? 13 LEU A O 4 13 . A ATOM 1485 C CB . LEU A 1 13 ? -3.736 -1.057 -4.116 1.0 0.84 ? 13 LEU A CB 4 13 . A ATOM 1486 C CG . LEU A 1 13 ? -5.053 -1.172 -3.334 1.0 0.93 ? 13 LEU A CG 4 13 . A ATOM 1487 C CD1 . LEU A 1 13 ? -5.879 0.103 -3.463 1.0 1.5 ? 13 LEU A CD1 4 13 . A ATOM 1488 C CD2 . LEU A 1 13 ? -5.851 -2.374 -3.817 1.0 1.2 ? 13 LEU A CD2 4 13 . A ATOM 1489 H H . LEU A 1 13 ? -2.324 1.424 -4.427 1.0 0.8 ? 13 LEU A H 4 13 . A ATOM 1490 H HA . LEU A 1 13 ? -2.697 -0.574 -2.308 1.0 0.77 ? 13 LEU A HA 4 13 . A ATOM 1491 H HB2 . LEU A 1 13 ? -3.930 -0.487 -5.012 1.0 1.04 ? 13 LEU A HB2 4 13 . A ATOM 1492 H HB3 . LEU A 1 13 ? -3.429 -2.051 -4.404 1.0 0.87 ? 13 LEU A HB3 4 13 . A ATOM 1493 H HG . LEU A 1 13 ? -4.831 -1.319 -2.287 1.0 1.14 ? 13 LEU A HG 4 13 . A ATOM 1494 H HD11 . LEU A 1 13 ? -6.794 -0.004 -2.901 1.0 1.65 ? 13 LEU A HD11 4 13 . A ATOM 1495 H HD12 . LEU A 1 13 ? -6.113 0.278 -4.503 1.0 1.79 ? 13 LEU A HD12 4 13 . A ATOM 1496 H HD13 . LEU A 1 13 ? -5.314 0.939 -3.076 1.0 1.82 ? 13 LEU A HD13 4 13 . A ATOM 1497 H HD21 . LEU A 1 13 ? -6.063 -2.267 -4.870 1.0 1.54 ? 13 LEU A HD21 4 13 . A ATOM 1498 H HD22 . LEU A 1 13 ? -6.779 -2.435 -3.268 1.0 1.48 ? 13 LEU A HD22 4 13 . A ATOM 1499 H HD23 . LEU A 1 13 ? -5.277 -3.276 -3.655 1.0 1.47 ? 13 LEU A HD23 4 13 . A ATOM 1500 N N . PRO A 1 14 ? -0.635 -0.665 -4.992 1.0 0.71 ? 14 PRO A N 4 14 . A ATOM 1501 C CA . PRO A 1 14 ? 0.653 -1.243 -5.443 1.0 0.73 ? 14 PRO A CA 4 14 . A ATOM 1502 C C . PRO A 1 14 ? 1.863 -0.708 -4.666 1.0 0.75 ? 14 PRO A C 4 14 . A ATOM 1503 O O . PRO A 1 14 ? 2.983 -1.205 -4.836 1.0 0.92 ? 14 PRO A O 4 14 . A ATOM 1504 C CB . PRO A 1 14 ? 0.754 -0.828 -6.922 1.0 0.85 ? 14 PRO A CB 4 14 . A ATOM 1505 C CG . PRO A 1 14 ? -0.575 -0.251 -7.279 1.0 0.91 ? 14 PRO A CG 4 14 . A ATOM 1506 C CD . PRO A 1 14 ? -1.140 0.294 -6.002 1.0 0.81 ? 14 PRO A CD 4 14 . A ATOM 1507 H HA . PRO A 1 14 ? 0.639 -2.321 -5.372 1.0 0.7 ? 14 PRO A HA 4 14 . A ATOM 1508 H HB2 . PRO A 1 14 ? 1.539 -0.090 -7.039 1.0 0.9 ? 14 PRO A HB2 4 14 . A ATOM 1509 H HB3 . PRO A 1 14 ? 0.961 -1.689 -7.537 1.0 0.93 ? 14 PRO A HB3 4 14 . A ATOM 1510 H HG2 . PRO A 1 14 ? -0.449 0.540 -8.007 1.0 1.08 ? 14 PRO A HG2 4 14 . A ATOM 1511 H HG3 . PRO A 1 14 ? -1.221 -1.023 -7.667 1.0 1.01 ? 14 PRO A HG3 4 14 . A ATOM 1512 H HD2 . PRO A 1 14 ? -0.763 1.290 -5.816 1.0 0.9 ? 14 PRO A HD2 4 14 . A ATOM 1513 H HD3 . PRO A 1 14 ? -2.216 0.294 -6.034 1.0 0.84 ? 14 PRO A HD3 4 14 . A ATOM 1514 N N . ALA A 1 15 ? 1.625 0.297 -3.807 1.0 0.67 ? 15 ALA A N 4 15 . A ATOM 1515 C CA . ALA A 1 15 ? 2.682 0.911 -2.993 1.0 0.73 ? 15 ALA A CA 4 15 . A ATOM 1516 C C . ALA A 1 15 ? 3.094 0.008 -1.826 1.0 0.73 ? 15 ALA A C 4 15 . A ATOM 1517 O O . ALA A 1 15 ? 4.284 -0.113 -1.520 1.0 0.88 ? 15 ALA A O 4 15 . A ATOM 1518 C CB . ALA A 1 15 ? 2.226 2.269 -2.480 1.0 0.8 ? 15 ALA A CB 4 15 . A ATOM 1519 H H . ALA A 1 15 ? 0.709 0.633 -3.719 1.0 0.63 ? 15 ALA A H 4 15 . A ATOM 1520 H HA . ALA A 1 15 ? 3.541 1.066 -3.631 1.0 0.77 ? 15 ALA A HA 4 15 . A ATOM 1521 H HB1 . ALA A 1 15 ? 1.944 2.894 -3.315 1.0 0.79 ? 15 ALA A HB1 4 15 . A ATOM 1522 H HB2 . ALA A 1 15 ? 3.033 2.738 -1.936 1.0 0.92 ? 15 ALA A HB2 4 15 . A ATOM 1523 H HB3 . ALA A 1 15 ? 1.377 2.140 -1.824 1.0 0.78 ? 15 ALA A HB3 4 15 . A ATOM 1524 N N . LEU A 1 16 ? 2.099 -0.631 -1.192 1.0 0.64 ? 16 LEU A N 4 16 . A ATOM 1525 C CA . LEU A 1 16 ? 2.337 -1.541 -0.062 1.0 0.67 ? 16 LEU A CA 4 16 . A ATOM 1526 C C . LEU A 1 16 ? 2.892 -2.886 -0.544 1.0 0.63 ? 16 LEU A C 4 16 . A ATOM 1527 O O . LEU A 1 16 ? 3.703 -3.512 0.146 1.0 0.76 ? 16 LEU A O 4 16 . A ATOM 1528 C CB . LEU A 1 16 ? 1.043 -1.762 0.734 1.0 0.75 ? 16 LEU A CB 4 16 . A ATOM 1529 C CG . LEU A 1 16 ? 0.490 -0.525 1.457 1.0 0.96 ? 16 LEU A CG 4 16 . A ATOM 1530 C CD1 . LEU A 1 16 ? -0.435 0.271 0.543 1.0 1.2 ? 16 LEU A CD1 4 16 . A ATOM 1531 C CD2 . LEU A 1 16 ? -0.238 -0.935 2.728 1.0 1.23 ? 16 LEU A CD2 4 16 . A ATOM 1532 H H . LEU A 1 16 ? 1.177 -0.483 -1.491 1.0 0.63 ? 16 LEU A H 4 16 . A ATOM 1533 H HA . LEU A 1 16 ? 3.069 -1.078 0.583 1.0 0.72 ? 16 LEU A HA 4 16 . A ATOM 1534 H HB2 . LEU A 1 16 ? 0.286 -2.122 0.053 1.0 0.81 ? 16 LEU A HB2 4 16 . A ATOM 1535 H HB3 . LEU A 1 16 ? 1.229 -2.527 1.473 1.0 0.95 ? 16 LEU A HB3 4 16 . A ATOM 1536 H HG . LEU A 1 16 ? 1.313 0.116 1.736 1.0 1.21 ? 16 LEU A HG 4 16 . A ATOM 1537 H HD11 . LEU A 1 16 ? -0.783 1.152 1.062 1.0 1.66 ? 16 LEU A HD11 4 16 . A ATOM 1538 H HD12 . LEU A 1 16 ? -1.282 -0.341 0.267 1.0 1.38 ? 16 LEU A HD12 4 16 . A ATOM 1539 H HD13 . LEU A 1 16 ? 0.102 0.565 -0.346 1.0 1.32 ? 16 LEU A HD13 4 16 . A ATOM 1540 H HD21 . LEU A 1 16 ? -1.028 -1.631 2.483 1.0 1.24 ? 16 LEU A HD21 4 16 . A ATOM 1541 H HD22 . LEU A 1 16 ? -0.663 -0.060 3.198 1.0 1.49 ? 16 LEU A HD22 4 16 . A ATOM 1542 H HD23 . LEU A 1 16 ? 0.458 -1.406 3.407 1.0 1.81 ? 16 LEU A HD23 4 16 . A ATOM 1543 N N . ILE A 1 17 ? 2.455 -3.306 -1.746 1.0 0.53 ? 17 ILE A N 4 17 . A ATOM 1544 C CA . ILE A 1 17 ? 2.901 -4.569 -2.364 1.0 0.52 ? 17 ILE A CA 4 17 . A ATOM 1545 C C . ILE A 1 17 ? 4.359 -4.439 -2.839 1.0 0.53 ? 17 ILE A C 4 17 . A ATOM 1546 O O . ILE A 1 17 ? 5.162 -5.365 -2.672 1.0 0.63 ? 17 ILE A O 4 17 . A ATOM 1547 C CB . ILE A 1 17 ? 1.990 -4.986 -3.572 1.0 0.54 ? 17 ILE A CB 4 17 . A ATOM 1548 C CG1 . ILE A 1 17 ? 0.479 -4.709 -3.305 1.0 0.6 ? 17 ILE A CG1 4 17 . A ATOM 1549 C CG2 . ILE A 1 17 ? 2.207 -6.457 -3.954 1.0 0.58 ? 17 ILE A CG2 4 17 . A ATOM 1550 C CD1 . ILE A 1 17 ? -0.108 -5.341 -2.042 1.0 0.64 ? 17 ILE A CD1 4 17 . A ATOM 1551 H H . ILE A 1 17 ? 1.814 -2.748 -2.233 1.0 0.54 ? 17 ILE A H 4 17 . A ATOM 1552 H HA . ILE A 1 17 ? 2.845 -5.343 -1.612 1.0 0.55 ? 17 ILE A HA 4 17 . A ATOM 1553 H HB . ILE A 1 17 ? 2.297 -4.391 -4.421 1.0 0.55 ? 17 ILE A HB 4 17 . A ATOM 1554 H HG12 . ILE A 1 17 ? 0.334 -3.643 -3.223 1.0 0.61 ? 17 ILE A HG12 4 17 . A ATOM 1555 H HG13 . ILE A 1 17 ? -0.092 -5.072 -4.148 1.0 0.64 ? 17 ILE A HG13 4 17 . A ATOM 1556 H HG21 . ILE A 1 17 ? 1.545 -6.719 -4.766 1.0 1.05 ? 17 ILE A HG21 4 17 . A ATOM 1557 H HG22 . ILE A 1 17 ? 1.999 -7.086 -3.102 1.0 1.42 ? 17 ILE A HG22 4 17 . A ATOM 1558 H HG23 . ILE A 1 17 ? 3.232 -6.599 -4.265 1.0 1.01 ? 17 ILE A HG23 4 17 . A ATOM 1559 H HD11 . ILE A 1 17 ? 0.003 -6.414 -2.093 1.0 1.2 ? 17 ILE A HD11 4 17 . A ATOM 1560 H HD12 . ILE A 1 17 ? -1.155 -5.090 -1.968 1.0 1.2 ? 17 ILE A HD12 4 17 . A ATOM 1561 H HD13 . ILE A 1 17 ? 0.416 -4.965 -1.176 1.0 1.23 ? 17 ILE A HD13 4 17 . A ATOM 1562 N N . SER A 1 18 ? 4.684 -3.270 -3.418 1.0 0.53 ? 18 SER A N 4 18 . A ATOM 1563 C CA . SER A 1 18 ? 6.038 -2.978 -3.904 1.0 0.6 ? 18 SER A CA 4 18 . A ATOM 1564 C C . SER A 1 18 ? 6.996 -2.704 -2.737 1.0 0.59 ? 18 SER A C 4 18 . A ATOM 1565 O O . SER A 1 18 ? 8.205 -2.928 -2.852 1.0 0.88 ? 18 SER A O 4 18 . A ATOM 1566 C CB . SER A 1 18 ? 6.014 -1.779 -4.854 1.0 0.73 ? 18 SER A CB 4 18 . A ATOM 1567 O OG . SER A 1 18 ? 5.251 -2.062 -6.015 1.0 0.8 ? 18 SER A OG 4 18 . A ATOM 1568 H H . SER A 1 18 ? 3.988 -2.587 -3.523 1.0 0.57 ? 18 SER A H 4 18 . A ATOM 1569 H HA . SER A 1 18 ? 6.389 -3.845 -4.444 1.0 0.63 ? 18 SER A HA 4 18 . A ATOM 1570 H HB2 . SER A 1 18 ? 5.575 -0.931 -4.348 1.0 0.74 ? 18 SER A HB2 4 18 . A ATOM 1571 H HB3 . SER A 1 18 ? 7.024 -1.537 -5.151 1.0 0.81 ? 18 SER A HB3 4 18 . A ATOM 1572 H HG . SER A 1 18 ? 5.813 -2.476 -6.674 1.0 1.1 ? 18 SER A HG 4 18 . A ATOM 1573 N N . TRP A 1 19 ? 6.434 -2.227 -1.611 1.0 0.49 ? 19 TRP A N 4 19 . A ATOM 1574 C CA . TRP A 1 19 ? 7.211 -1.934 -0.400 1.0 0.54 ? 19 TRP A CA 4 19 . A ATOM 1575 C C . TRP A 1 19 ? 7.585 -3.222 0.344 1.0 0.5 ? 19 TRP A C 4 19 . A ATOM 1576 O O . TRP A 1 19 ? 8.693 -3.332 0.878 1.0 0.59 ? 19 TRP A O 4 19 . A ATOM 1577 C CB . TRP A 1 19 ? 6.426 -1.004 0.527 1.0 0.68 ? 19 TRP A CB 4 19 . A ATOM 1578 C CG . TRP A 1 19 ? 6.935 0.409 0.517 1.0 0.62 ? 19 TRP A CG 4 19 . A ATOM 1579 C CD1 . TRP A 1 19 ? 6.436 1.458 -0.201 1.0 0.96 ? 19 TRP A CD1 4 19 . A ATOM 1580 C CD2 . TRP A 1 19 ? 8.045 0.935 1.250 1.0 0.63 ? 19 TRP A CD2 4 19 . A ATOM 1581 N NE1 . TRP A 1 19 ? 7.170 2.601 0.044 1.0 1.09 ? 19 TRP A NE1 4 19 . A ATOM 1582 C CE2 . TRP A 1 19 ? 8.169 2.317 0.941 1.0 0.9 ? 19 TRP A CE2 4 19 . A ATOM 1583 C CE3 . TRP A 1 19 ? 8.982 0.396 2.162 1.0 0.84 ? 19 TRP A CE3 4 19 . A ATOM 1584 C CZ2 . TRP A 1 19 ? 9.152 3.169 1.481 1.0 1.16 ? 19 TRP A CZ2 4 19 . A ATOM 1585 C CZ3 . TRP A 1 19 ? 9.965 1.214 2.702 1.0 1.15 ? 19 TRP A CZ3 4 19 . A ATOM 1586 C CH2 . TRP A 1 19 ? 10.061 2.601 2.372 1.0 1.24 ? 19 TRP A CH2 4 19 . A ATOM 1587 H H . TRP A 1 19 ? 5.468 -2.064 -1.600 1.0 0.6 ? 19 TRP A H 4 19 . A ATOM 1588 H HA . TRP A 1 19 ? 8.119 -1.437 -0.705 1.0 0.59 ? 19 TRP A HA 4 19 . A ATOM 1589 H HB2 . TRP A 1 19 ? 5.391 -0.988 0.220 1.0 0.97 ? 19 TRP A HB2 4 19 . A ATOM 1590 H HB3 . TRP A 1 19 ? 6.491 -1.375 1.540 1.0 0.79 ? 19 TRP A HB3 4 19 . A ATOM 1591 H HD1 . TRP A 1 19 ? 5.588 1.388 -0.867 1.0 1.22 ? 19 TRP A HD1 4 19 . A ATOM 1592 H HE1 . TRP A 1 19 ? 7.002 3.481 -0.352 1.0 1.4 ? 19 TRP A HE1 4 19 . A ATOM 1593 H HE3 . TRP A 1 19 ? 8.944 -0.651 2.423 1.0 0.96 ? 19 TRP A HE3 4 19 . A ATOM 1594 H HZ2 . TRP A 1 19 ? 9.210 4.212 1.204 1.0 1.42 ? 19 TRP A HZ2 4 19 . A ATOM 1595 H HZ3 . TRP A 1 19 ? 10.672 0.792 3.401 1.0 1.44 ? 19 TRP A HZ3 4 19 . A ATOM 1596 H HH2 . TRP A 1 19 ? 10.833 3.209 2.818 1.0 1.52 ? 19 TRP A HH2 4 19 . A ATOM 1597 N N . ILE A 1 20 ? 6.655 -4.196 0.360 1.0 0.52 ? 20 ILE A N 4 20 . A ATOM 1598 C CA . ILE A 1 20 ? 6.889 -5.495 1.020 1.0 0.56 ? 20 ILE A CA 4 20 . A ATOM 1599 C C . ILE A 1 20 ? 7.787 -6.400 0.160 1.0 0.59 ? 20 ILE A C 4 20 . A ATOM 1600 O O . ILE A 1 20 ? 8.556 -7.208 0.690 1.0 0.75 ? 20 ILE A O 4 20 . A ATOM 1601 C CB . ILE A 1 20 ? 5.566 -6.243 1.381 1.0 0.71 ? 20 ILE A CB 4 20 . A ATOM 1602 C CG1 . ILE A 1 20 ? 4.626 -6.392 0.169 1.0 0.93 ? 20 ILE A CG1 4 20 . A ATOM 1603 C CG2 . ILE A 1 20 ? 4.847 -5.531 2.519 1.0 1.12 ? 20 ILE A CG2 4 20 . A ATOM 1604 C CD1 . ILE A 1 20 ? 4.727 -7.739 -0.514 1.0 1.33 ? 20 ILE A CD1 4 20 . A ATOM 1605 H H . ILE A 1 20 ? 5.795 -4.037 -0.082 1.0 0.58 ? 20 ILE A H 4 20 . A ATOM 1606 H HA . ILE A 1 20 ? 7.412 -5.289 1.945 1.0 0.57 ? 20 ILE A HA 4 20 . A ATOM 1607 H HB . ILE A 1 20 ? 5.834 -7.228 1.734 1.0 1.0 ? 20 ILE A HB 4 20 . A ATOM 1608 H HG12 . ILE A 1 20 ? 3.605 -6.260 0.493 1.0 1.04 ? 20 ILE A HG12 4 20 . A ATOM 1609 H HG13 . ILE A 1 20 ? 4.869 -5.631 -0.559 1.0 1.17 ? 20 ILE A HG13 4 20 . A ATOM 1610 H HG21 . ILE A 1 20 ? 5.484 -5.512 3.391 1.0 1.42 ? 20 ILE A HG21 4 20 . A ATOM 1611 H HG22 . ILE A 1 20 ? 3.933 -6.056 2.753 1.0 1.21 ? 20 ILE A HG22 4 20 . A ATOM 1612 H HG23 . ILE A 1 20 ? 4.614 -4.519 2.222 1.0 1.32 ? 20 ILE A HG23 4 20 . A ATOM 1613 H HD11 . ILE A 1 20 ? 4.138 -7.729 -1.419 1.0 1.7 ? 20 ILE A HD11 4 20 . A ATOM 1614 H HD12 . ILE A 1 20 ? 4.356 -8.507 0.148 1.0 1.35 ? 20 ILE A HD12 4 20 . A ATOM 1615 H HD13 . ILE A 1 20 ? 5.759 -7.943 -0.758 1.0 1.51 ? 20 ILE A HD13 4 20 . A ATOM 1616 N N . LYS A 1 21 ? 7.678 -6.242 -1.174 1.0 0.54 ? 21 LYS A N 4 21 . A ATOM 1617 C CA . LYS A 1 21 ? 8.484 -7.014 -2.132 1.0 0.66 ? 21 LYS A CA 4 21 . A ATOM 1618 C C . LYS A 1 21 ? 9.923 -6.488 -2.190 1.0 0.6 ? 21 LYS A C 4 21 . A ATOM 1619 O O . LYS A 1 21 ? 10.867 -7.264 -2.369 1.0 0.7 ? 21 LYS A O 4 21 . A ATOM 1620 C CB . LYS A 1 21 ? 7.858 -6.964 -3.529 1.0 0.79 ? 21 LYS A CB 4 21 . A ATOM 1621 C CG . LYS A 1 21 ? 6.655 -7.878 -3.694 1.0 1.01 ? 21 LYS A CG 4 21 . A ATOM 1622 C CD . LYS A 1 21 ? 6.152 -7.881 -5.127 1.0 1.03 ? 21 LYS A CD 4 21 . A ATOM 1623 C CE . LYS A 1 21 ? 5.038 -8.896 -5.325 1.0 1.13 ? 21 LYS A CE 4 21 . A ATOM 1624 N NZ . LYS A 1 21 ? 4.511 -8.878 -6.718 1.0 1.58 1 21 LYS A NZ 4 21 . A ATOM 1625 H H . LYS A 1 21 ? 7.034 -5.588 -1.519 1.0 0.52 ? 21 LYS A H 4 21 . A ATOM 1626 H HA . LYS A 1 21 ? 8.505 -8.039 -1.794 1.0 0.75 ? 21 LYS A HA 4 21 . A ATOM 1627 H HB2 . LYS A 1 21 ? 7.543 -5.951 -3.734 1.0 1.0 ? 21 LYS A HB2 4 21 . A ATOM 1628 H HB3 . LYS A 1 21 ? 8.604 -7.252 -4.256 1.0 0.9 ? 21 LYS A HB3 4 21 . A ATOM 1629 H HG2 . LYS A 1 21 ? 6.939 -8.883 -3.421 1.0 1.29 ? 21 LYS A HG2 4 21 . A ATOM 1630 H HG3 . LYS A 1 21 ? 5.864 -7.535 -3.044 1.0 1.39 ? 21 LYS A HG3 4 21 . A ATOM 1631 H HD2 . LYS A 1 21 ? 5.775 -6.898 -5.368 1.0 1.28 ? 21 LYS A HD2 4 21 . A ATOM 1632 H HD3 . LYS A 1 21 ? 6.972 -8.126 -5.786 1.0 1.06 ? 21 LYS A HD3 4 21 . A ATOM 1633 H HE2 . LYS A 1 21 ? 5.424 -9.881 -5.110 1.0 1.11 ? 21 LYS A HE2 4 21 . A ATOM 1634 H HE3 . LYS A 1 21 ? 4.234 -8.668 -4.641 1.0 1.19 ? 21 LYS A HE3 4 21 . A ATOM 1635 H HZ1 . LYS A 1 21 ? 3.754 -9.583 -6.823 1.0 1.84 ? 21 LYS A HZ1 4 21 . A ATOM 1636 H HZ2 . LYS A 1 21 ? 5.271 -9.099 -7.391 1.0 1.52 ? 21 LYS A HZ2 4 21 . A ATOM 1637 H HZ3 . LYS A 1 21 ? 4.127 -7.937 -6.942 1.0 2.1 ? 21 LYS A HZ3 4 21 . A ATOM 1638 N N . ARG A 1 22 ? 10.072 -5.162 -2.027 1.0 0.56 ? 22 ARG A N 4 22 . A ATOM 1639 C CA . ARG A 1 22 ? 11.387 -4.508 -2.036 1.0 0.56 ? 22 ARG A CA 4 22 . A ATOM 1640 C C . ARG A 1 22 ? 12.085 -4.642 -0.677 1.0 0.52 ? 22 ARG A C 4 22 . A ATOM 1641 O O . ARG A 1 22 ? 13.314 -4.582 -0.599 1.0 0.66 ? 22 ARG A O 4 22 . A ATOM 1642 C CB . ARG A 1 22 ? 11.251 -3.029 -2.405 1.0 0.63 ? 22 ARG A CB 4 22 . A ATOM 1643 C CG . ARG A 1 22 ? 11.088 -2.784 -3.897 1.0 0.92 ? 22 ARG A CG 4 22 . A ATOM 1644 C CD . ARG A 1 22 ? 11.007 -1.298 -4.211 1.0 1.04 ? 22 ARG A CD 4 22 . A ATOM 1645 N NE . ARG A 1 22 ? 10.947 -1.041 -5.654 1.0 1.25 ? 22 ARG A NE 4 22 . A ATOM 1646 C CZ . ARG A 1 22 ? 11.042 0.173 -6.216 1.0 1.56 ? 22 ARG A CZ 4 22 . A ATOM 1647 N NH1 . ARG A 1 22 ? 11.203 1.267 -5.473 1.0 1.61 1 22 ARG A NH1 4 22 . A ATOM 1648 N NH2 . ARG A 1 22 ? 10.974 0.290 -7.535 1.0 2.06 ? 22 ARG A NH2 4 22 . A ATOM 1649 H H . ARG A 1 22 ? 9.272 -4.610 -1.899 1.0 0.61 ? 22 ARG A H 4 22 . A ATOM 1650 H HA . ARG A 1 22 ? 11.993 -4.999 -2.784 1.0 0.67 ? 22 ARG A HA 4 22 . A ATOM 1651 H HB2 . ARG A 1 22 ? 10.388 -2.622 -1.899 1.0 0.98 ? 22 ARG A HB2 4 22 . A ATOM 1652 H HB3 . ARG A 1 22 ? 12.133 -2.504 -2.070 1.0 0.82 ? 22 ARG A HB3 4 22 . A ATOM 1653 H HG2 . ARG A 1 22 ? 11.936 -3.205 -4.416 1.0 1.19 ? 22 ARG A HG2 4 22 . A ATOM 1654 H HG3 . ARG A 1 22 ? 10.181 -3.264 -4.234 1.0 1.48 ? 22 ARG A HG3 4 22 . A ATOM 1655 H HD2 . ARG A 1 22 ? 10.120 -0.893 -3.747 1.0 1.28 ? 22 ARG A HD2 4 22 . A ATOM 1656 H HD3 . ARG A 1 22 ? 11.880 -0.810 -3.805 1.0 1.34 ? 22 ARG A HD3 4 22 . A ATOM 1657 H HE . ARG A 1 22 ? 10.829 -1.816 -6.242 1.0 1.43 ? 22 ARG A HE 4 22 . A ATOM 1658 H HH11 . ARG A 1 22 ? 11.255 1.192 -4.477 1.0 1.53 ? 22 ARG A HH11 4 22 . A ATOM 1659 H HH12 . ARG A 1 22 ? 11.272 2.163 -5.911 1.0 1.91 ? 22 ARG A HH12 4 22 . A ATOM 1660 H HH21 . ARG A 1 22 ? 10.854 -0.523 -8.104 1.0 2.25 ? 22 ARG A HH21 4 22 . A ATOM 1661 H HH22 . ARG A 1 22 ? 11.044 1.193 -7.961 1.0 2.34 ? 22 ARG A HH22 4 22 . A ATOM 1662 N N . LYS A 1 23 ? 11.283 -4.826 0.386 1.0 0.54 ? 23 LYS A N 4 23 . A ATOM 1663 C CA . LYS A 1 23 ? 11.805 -4.986 1.749 1.0 0.58 ? 23 LYS A CA 4 23 . A ATOM 1664 C C . LYS A 1 23 ? 12.150 -6.455 2.035 1.0 0.55 ? 23 LYS A C 4 23 . A ATOM 1665 O O . LYS A 1 23 ? 12.974 -6.746 2.907 1.0 0.59 ? 23 LYS A O 4 23 . A ATOM 1666 C CB . LYS A 1 23 ? 10.783 -4.476 2.772 1.0 0.76 ? 23 LYS A CB 4 23 . A ATOM 1667 C CG . LYS A 1 23 ? 11.409 -3.844 4.008 1.0 0.87 ? 23 LYS A CG 4 23 . A ATOM 1668 C CD . LYS A 1 23 ? 10.347 -3.325 4.966 1.0 0.92 ? 23 LYS A CD 4 23 . A ATOM 1669 C CE . LYS A 1 23 ? 10.963 -2.642 6.180 1.0 1.04 ? 23 LYS A CE 4 23 . A ATOM 1670 N NZ . LYS A 1 23 ? 11.564 -3.620 7.131 1.0 1.28 1 23 LYS A NZ 4 23 . A ATOM 1671 H H . LYS A 1 23 ? 10.314 -4.859 0.246 1.0 0.65 ? 23 LYS A H 4 23 . A ATOM 1672 H HA . LYS A 1 23 ? 12.706 -4.397 1.829 1.0 0.61 ? 23 LYS A HA 4 23 . A ATOM 1673 H HB2 . LYS A 1 23 ? 10.155 -3.736 2.298 1.0 0.93 ? 23 LYS A HB2 4 23 . A ATOM 1674 H HB3 . LYS A 1 23 ? 10.167 -5.304 3.092 1.0 0.93 ? 23 LYS A HB3 4 23 . A ATOM 1675 H HG2 . LYS A 1 23 ? 12.007 -4.586 4.516 1.0 1.19 ? 23 LYS A HG2 4 23 . A ATOM 1676 H HG3 . LYS A 1 23 ? 12.038 -3.022 3.700 1.0 1.25 ? 23 LYS A HG3 4 23 . A ATOM 1677 H HD2 . LYS A 1 23 ? 9.725 -2.613 4.445 1.0 1.26 ? 23 LYS A HD2 4 23 . A ATOM 1678 H HD3 . LYS A 1 23 ? 9.743 -4.156 5.300 1.0 1.17 ? 23 LYS A HD3 4 23 . A ATOM 1679 H HE2 . LYS A 1 23 ? 11.733 -1.964 5.843 1.0 1.4 ? 23 LYS A HE2 4 23 . A ATOM 1680 H HE3 . LYS A 1 23 ? 10.193 -2.084 6.690 1.0 1.42 ? 23 LYS A HE3 4 23 . A ATOM 1681 H HZ1 . LYS A 1 23 ? 10.835 -4.278 7.475 1.0 1.46 ? 23 LYS A HZ1 4 23 . A ATOM 1682 H HZ2 . LYS A 1 23 ? 11.975 -3.121 7.945 1.0 1.73 ? 23 LYS A HZ2 4 23 . A ATOM 1683 H HZ3 . LYS A 1 23 ? 12.313 -4.165 6.658 1.0 1.85 ? 23 LYS A HZ3 4 23 . A ATOM 1684 N N . ARG A 1 24 ? 11.508 -7.369 1.289 1.0 0.6 ? 24 ARG A N 4 24 . A ATOM 1685 C CA . ARG A 1 24 ? 11.741 -8.810 1.433 1.0 0.7 ? 24 ARG A CA 4 24 . A ATOM 1686 C C . ARG A 1 24 ? 12.854 -9.292 0.498 1.0 0.66 ? 24 ARG A C 4 24 . A ATOM 1687 O O . ARG A 1 24 ? 13.607 -10.207 0.845 1.0 0.76 ? 24 ARG A O 4 24 . A ATOM 1688 C CB . ARG A 1 24 ? 10.457 -9.590 1.144 1.0 0.89 ? 24 ARG A CB 4 24 . A ATOM 1689 C CG . ARG A 1 24 ? 9.581 -9.806 2.367 1.0 1.36 ? 24 ARG A CG 4 24 . A ATOM 1690 C CD . ARG A 1 24 ? 8.396 -10.703 2.047 1.0 1.41 ? 24 ARG A CD 4 24 . A ATOM 1691 N NE . ARG A 1 24 ? 7.695 -11.147 3.256 1.0 1.42 ? 24 ARG A NE 4 24 . A ATOM 1692 C CZ . ARG A 1 24 ? 6.864 -12.198 3.313 1.0 1.54 ? 24 ARG A CZ 4 24 . A ATOM 1693 N NH1 . ARG A 1 24 ? 6.612 -12.936 2.233 1.0 1.76 1 24 ARG A NH1 4 24 . A ATOM 1694 N NH2 . ARG A 1 24 ? 6.284 -12.512 4.462 1.0 1.78 ? 24 ARG A NH2 4 24 . A ATOM 1695 H H . ARG A 1 24 ? 10.858 -7.061 0.624 1.0 0.65 ? 24 ARG A H 4 24 . A ATOM 1696 H HA . ARG A 1 24 ? 12.040 -8.996 2.453 1.0 0.76 ? 24 ARG A HA 4 24 . A ATOM 1697 H HB2 . ARG A 1 24 ? 9.880 -9.050 0.407 1.0 0.92 ? 24 ARG A HB2 4 24 . A ATOM 1698 H HB3 . ARG A 1 24 ? 10.721 -10.557 0.742 1.0 1.17 ? 24 ARG A HB3 4 24 . A ATOM 1699 H HG2 . ARG A 1 24 ? 10.172 -10.269 3.144 1.0 1.78 ? 24 ARG A HG2 4 24 . A ATOM 1700 H HG3 . ARG A 1 24 ? 9.216 -8.849 2.710 1.0 1.59 ? 24 ARG A HG3 4 24 . A ATOM 1701 H HD2 . ARG A 1 24 ? 7.705 -10.155 1.424 1.0 1.52 ? 24 ARG A HD2 4 24 . A ATOM 1702 H HD3 . ARG A 1 24 ? 8.753 -11.570 1.511 1.0 1.59 ? 24 ARG A HD3 4 24 . A ATOM 1703 H HE . ARG A 1 24 ? 7.851 -10.633 4.076 1.0 1.58 ? 24 ARG A HE 4 24 . A ATOM 1704 H HH11 . ARG A 1 24 ? 7.046 -12.709 1.360 1.0 1.84 ? 24 ARG A HH11 4 24 . A ATOM 1705 H HH12 . ARG A 1 24 ? 5.990 -13.716 2.294 1.0 2.01 ? 24 ARG A HH12 4 24 . A ATOM 1706 H HH21 . ARG A 1 24 ? 6.466 -11.966 5.280 1.0 1.94 ? 24 ARG A HH21 4 24 . A ATOM 1707 H HH22 . ARG A 1 24 ? 5.663 -13.294 4.511 1.0 1.96 ? 24 ARG A HH22 4 24 . A ATOM 1708 N N . GLN A 1 25 ? 12.946 -8.668 -0.687 1.0 0.59 ? 25 GLN A N 4 25 . A ATOM 1709 C CA . GLN A 1 25 ? 13.962 -9.025 -1.687 1.0 0.62 ? 25 GLN A CA 4 25 . A ATOM 1710 C C . GLN A 1 25 ? 15.253 -8.223 -1.492 1.0 0.58 ? 25 GLN A C 4 25 . A ATOM 1711 O O . GLN A 1 25 ? 16.351 -8.780 -1.587 1.0 0.68 ? 25 GLN A O 4 25 . A ATOM 1712 C CB . GLN A 1 25 ? 13.420 -8.806 -3.106 1.0 0.7 ? 25 GLN A CB 4 25 . A ATOM 1713 C CG . GLN A 1 25 ? 12.390 -9.844 -3.540 1.0 1.11 ? 25 GLN A CG 4 25 . A ATOM 1714 C CD . GLN A 1 25 ? 11.879 -9.634 -4.959 1.0 1.18 ? 25 GLN A CD 4 25 . A ATOM 1715 O OE1 . GLN A 1 25 ? 12.601 -9.156 -5.840 1.0 1.5 ? 25 GLN A OE1 4 25 . A ATOM 1716 N NE2 . GLN A 1 25 ? 10.622 -9.995 -5.188 1.0 1.28 ? 25 GLN A NE2 4 25 . A ATOM 1717 H H . GLN A 1 25 ? 12.314 -7.948 -0.893 1.0 0.59 ? 25 GLN A H 4 25 . A ATOM 1718 H HA . GLN A 1 25 ? 14.188 -10.073 -1.561 1.0 0.73 ? 25 GLN A HA 4 25 . A ATOM 1719 H HB2 . GLN A 1 25 ? 12.959 -7.831 -3.155 1.0 0.73 ? 25 GLN A HB2 4 25 . A ATOM 1720 H HB3 . GLN A 1 25 ? 14.246 -8.838 -3.801 1.0 1.04 ? 25 GLN A HB3 4 25 . A ATOM 1721 H HG2 . GLN A 1 25 ? 12.842 -10.823 -3.482 1.0 1.51 ? 25 GLN A HG2 4 25 . A ATOM 1722 H HG3 . GLN A 1 25 ? 11.550 -9.800 -2.862 1.0 1.3 ? 25 GLN A HG3 4 25 . A ATOM 1723 H HE21 . GLN A 1 25 ? 10.105 -10.369 -4.445 1.0 1.53 ? 25 GLN A HE21 4 25 . A ATOM 1724 H HE22 . GLN A 1 25 ? 10.263 -9.872 -6.092 1.0 1.31 ? 25 GLN A HE22 4 25 . A ATOM 1725 N N . GLN A 1 26 ? 15.111 -6.919 -1.219 1.0 0.55 ? 26 GLN A N 4 26 . A ATOM 1726 C CA . GLN A 1 26 ? 16.263 -6.036 -1.010 1.0 0.64 ? 26 GLN A CA 4 26 . A ATOM 1727 C C . GLN A 1 26 ? 16.446 -5.712 0.475 1.0 0.76 ? 26 GLN A C 4 26 . A ATOM 1728 O O . GLN A 1 26 ? 17.542 -5.843 1.022 1.0 0.87 ? 26 GLN A O 4 26 . A ATOM 1729 C CB . GLN A 1 26 ? 16.112 -4.742 -1.824 1.0 0.78 ? 26 GLN A CB 4 26 . A ATOM 1730 C CG . GLN A 1 26 ? 16.307 -4.930 -3.322 1.0 0.82 ? 26 GLN A CG 4 26 . A ATOM 1731 C CD . GLN A 1 26 ? 16.147 -3.637 -4.097 1.0 1.06 ? 26 GLN A CD 4 26 . A ATOM 1732 O OE1 . GLN A 1 26 ? 15.048 -3.290 -4.529 1.0 1.31 ? 26 GLN A OE1 4 26 . A ATOM 1733 N NE2 . GLN A 1 26 ? 17.247 -2.915 -4.276 1.0 1.13 ? 26 GLN A NE2 4 26 . A ATOM 1734 H H . GLN A 1 26 ? 14.208 -6.543 -1.158 1.0 0.55 ? 26 GLN A H 4 26 . A ATOM 1735 H HA . GLN A 1 26 ? 17.141 -6.562 -1.354 1.0 0.63 ? 26 GLN A HA 4 26 . A ATOM 1736 H HB2 . GLN A 1 26 ? 15.123 -4.341 -1.661 1.0 0.84 ? 26 GLN A HB2 4 26 . A ATOM 1737 H HB3 . GLN A 1 26 ? 16.842 -4.026 -1.476 1.0 0.89 ? 26 GLN A HB3 4 26 . A ATOM 1738 H HG2 . GLN A 1 26 ? 17.300 -5.316 -3.497 1.0 0.8 ? 26 GLN A HG2 4 26 . A ATOM 1739 H HG3 . GLN A 1 26 ? 15.576 -5.641 -3.681 1.0 0.78 ? 26 GLN A HG3 4 26 . A ATOM 1740 H HE21 . GLN A 1 26 ? 18.088 -3.253 -3.903 1.0 1.11 ? 26 GLN A HE21 4 26 . A ATOM 1741 H HE22 . GLN A 1 26 ? 17.173 -2.074 -4.773 1.0 1.29 ? 26 GLN A HE22 4 26 . A HETATM 1742 N N . NH2 A 1 27 ? 15.362 -5.287 1.120 1.0 0.84 ? 27 NH2 A N 4 27 . A HETATM 1743 H HN1 . NH2 A 1 27 ? 14.525 -5.209 0.617 1.0 0.81 ? 27 NH2 A HN1 4 27 . A HETATM 1744 H HN2 . NH2 A 1 27 ? 15.445 -5.070 2.072 1.0 0.97 ? 27 NH2 A HN2 4 27 . A ATOM 1745 N N . GLY A 1 1 ? -13.115 9.183 9.581 1.0 2.35 ? 1 GLY A N 5 1 . A ATOM 1746 C CA . GLY A 1 1 ? -14.426 8.958 8.912 1.0 1.58 ? 1 GLY A CA 5 1 . A ATOM 1747 C C . GLY A 1 1 ? -14.362 7.872 7.854 1.0 1.16 ? 1 GLY A C 5 1 . A ATOM 1748 O O . GLY A 1 1 ? -13.286 7.587 7.317 1.0 1.12 ? 1 GLY A O 5 1 . A ATOM 1749 H H1 . GLY A 1 1 ? -12.797 8.309 10.047 1.0 2.47 ? 1 GLY A H1 5 1 . A ATOM 1750 H H2 . GLY A 1 1 ? -13.203 9.932 10.297 1.0 2.69 ? 1 GLY A H2 5 1 . A ATOM 1751 H H3 . GLY A 1 1 ? -12.401 9.470 8.882 1.0 2.71 ? 1 GLY A H3 5 1 . A ATOM 1752 H HA2 . GLY A 1 1 ? -15.155 8.676 9.657 1.0 1.5 ? 1 GLY A HA2 5 1 . A ATOM 1753 H HA3 . GLY A 1 1 ? -14.743 9.880 8.446 1.0 1.88 ? 1 GLY A HA3 5 1 . A ATOM 1754 N N . ILE A 1 2 ? -15.528 7.279 7.545 1.0 1.2 ? 2 ILE A N 5 2 . A ATOM 1755 C CA . ILE A 1 2 ? -15.641 6.199 6.541 1.0 1.08 ? 2 ILE A CA 5 2 . A ATOM 1756 C C . ILE A 1 2 ? -15.231 6.665 5.132 1.0 1.43 ? 2 ILE A C 5 2 . A ATOM 1757 O O . ILE A 1 2 ? -14.560 5.928 4.397 1.0 2.45 ? 2 ILE A O 5 2 . A ATOM 1758 C CB . ILE A 1 2 ? -17.072 5.577 6.493 1.0 1.15 ? 2 ILE A CB 5 2 . A ATOM 1759 C CG1 . ILE A 1 2 ? -18.186 6.645 6.497 1.0 1.4 ? 2 ILE A CG1 5 2 . A ATOM 1760 C CG2 . ILE A 1 2 ? -17.264 4.618 7.658 1.0 1.45 ? 2 ILE A CG2 5 2 . A ATOM 1761 C CD1 . ILE A 1 2 ? -18.649 7.047 5.113 1.0 1.69 ? 2 ILE A CD1 5 2 . A ATOM 1762 H H . ILE A 1 2 ? -16.340 7.575 8.007 1.0 1.54 ? 2 ILE A H 5 2 . A ATOM 1763 H HA . ILE A 1 2 ? -14.961 5.416 6.844 1.0 1.12 ? 2 ILE A HA 5 2 . A ATOM 1764 H HB . ILE A 1 2 ? -17.147 5.000 5.582 1.0 1.36 ? 2 ILE A HB 5 2 . A ATOM 1765 H HG12 . ILE A 1 2 ? -19.041 6.260 7.033 1.0 1.59 ? 2 ILE A HG12 5 2 . A ATOM 1766 H HG13 . ILE A 1 2 ? -17.823 7.531 6.997 1.0 1.58 ? 2 ILE A HG13 5 2 . A ATOM 1767 H HG21 . ILE A 1 2 ? -18.253 4.187 7.611 1.0 1.73 ? 2 ILE A HG21 5 2 . A ATOM 1768 H HG22 . ILE A 1 2 ? -17.149 5.155 8.588 1.0 1.49 ? 2 ILE A HG22 5 2 . A ATOM 1769 H HG23 . ILE A 1 2 ? -16.526 3.832 7.602 1.0 1.68 ? 2 ILE A HG23 5 2 . A ATOM 1770 H HD11 . ILE A 1 2 ? -19.472 7.741 5.197 1.0 2.05 ? 2 ILE A HD11 5 2 . A ATOM 1771 H HD12 . ILE A 1 2 ? -18.972 6.169 4.573 1.0 1.74 ? 2 ILE A HD12 5 2 . A ATOM 1772 H HD13 . ILE A 1 2 ? -17.834 7.517 4.583 1.0 1.76 ? 2 ILE A HD13 5 2 . A ATOM 1773 N N . GLY A 1 3 ? -15.621 7.902 4.784 1.0 1.01 ? 3 GLY A N 5 3 . A ATOM 1774 C CA . GLY A 1 3 ? -15.298 8.477 3.478 1.0 1.23 ? 3 GLY A CA 5 3 . A ATOM 1775 C C . GLY A 1 3 ? -13.820 8.809 3.321 1.0 0.93 ? 3 GLY A C 5 3 . A ATOM 1776 O O . GLY A 1 3 ? -13.279 8.726 2.214 1.0 1.16 ? 3 GLY A O 5 3 . A ATOM 1777 H H . GLY A 1 3 ? -16.135 8.433 5.427 1.0 1.23 ? 3 GLY A H 5 3 . A ATOM 1778 H HA2 . GLY A 1 3 ? -15.578 7.771 2.710 1.0 1.67 ? 3 GLY A HA2 5 3 . A ATOM 1779 H HA3 . GLY A 1 3 ? -15.874 9.381 3.346 1.0 1.55 ? 3 GLY A HA3 5 3 . A ATOM 1780 N N . ALA A 1 4 ? -13.170 9.170 4.441 1.0 0.96 ? 4 ALA A N 5 4 . A ATOM 1781 C CA . ALA A 1 4 ? -11.743 9.511 4.453 1.0 0.91 ? 4 ALA A CA 5 4 . A ATOM 1782 C C . ALA A 1 4 ? -10.869 8.258 4.337 1.0 0.91 ? 4 ALA A C 5 4 . A ATOM 1783 O O . ALA A 1 4 ? -9.924 8.228 3.539 1.0 1.37 ? 4 ALA A O 5 4 . A ATOM 1784 C CB . ALA A 1 4 ? -11.397 10.291 5.716 1.0 1.32 ? 4 ALA A CB 5 4 . A ATOM 1785 H H . ALA A 1 4 ? -13.669 9.206 5.283 1.0 1.33 ? 4 ALA A H 5 4 . A ATOM 1786 H HA . ALA A 1 4 ? -11.549 10.149 3.602 1.0 1.01 ? 4 ALA A HA 5 4 . A ATOM 1787 H HB1 . ALA A 1 4 ? -11.564 9.667 6.581 1.0 1.53 ? 4 ALA A HB1 5 4 . A ATOM 1788 H HB2 . ALA A 1 4 ? -12.022 11.169 5.780 1.0 1.55 ? 4 ALA A HB2 5 4 . A ATOM 1789 H HB3 . ALA A 1 4 ? -10.360 10.590 5.682 1.0 1.62 ? 4 ALA A HB3 5 4 . A ATOM 1790 N N . VAL A 1 5 ? -11.211 7.216 5.122 1.0 0.84 ? 5 VAL A N 5 5 . A ATOM 1791 C CA . VAL A 1 5 ? -10.471 5.938 5.110 1.0 0.86 ? 5 VAL A CA 5 5 . A ATOM 1792 C C . VAL A 1 5 ? -10.615 5.218 3.763 1.0 0.72 ? 5 VAL A C 5 5 . A ATOM 1793 O O . VAL A 1 5 ? -9.653 4.632 3.259 1.0 0.86 ? 5 VAL A O 5 5 . A ATOM 1794 C CB . VAL A 1 5 ? -10.898 4.979 6.262 1.0 1.06 ? 5 VAL A CB 5 5 . A ATOM 1795 C CG1 . VAL A 1 5 ? -10.306 5.443 7.584 1.0 1.28 ? 5 VAL A CG1 5 5 . A ATOM 1796 C CG2 . VAL A 1 5 ? -12.418 4.854 6.382 1.0 1.11 ? 5 VAL A CG2 5 5 . A ATOM 1797 H H . VAL A 1 5 ? -11.980 7.310 5.722 1.0 1.11 ? 5 VAL A H 5 5 . A ATOM 1798 H HA . VAL A 1 5 ? -9.426 6.175 5.253 1.0 0.96 ? 5 VAL A HA 5 5 . A ATOM 1799 H HB . VAL A 1 5 ? -10.497 3.998 6.046 1.0 1.11 ? 5 VAL A HB 5 5 . A ATOM 1800 H HG11 . VAL A 1 5 ? -10.589 4.756 8.367 1.0 1.45 ? 5 VAL A HG11 5 5 . A ATOM 1801 H HG12 . VAL A 1 5 ? -10.679 6.429 7.818 1.0 1.25 ? 5 VAL A HG12 5 5 . A ATOM 1802 H HG13 . VAL A 1 5 ? -9.229 5.475 7.504 1.0 1.33 ? 5 VAL A HG13 5 5 . A ATOM 1803 H HG21 . VAL A 1 5 ? -12.824 4.483 5.452 1.0 1.32 ? 5 VAL A HG21 5 5 . A ATOM 1804 H HG22 . VAL A 1 5 ? -12.837 5.824 6.597 1.0 1.19 ? 5 VAL A HG22 5 5 . A ATOM 1805 H HG23 . VAL A 1 5 ? -12.662 4.170 7.182 1.0 1.46 ? 5 VAL A HG23 5 5 . A ATOM 1806 N N . LEU A 1 6 ? -11.827 5.288 3.184 1.0 0.63 ? 6 LEU A N 5 6 . A ATOM 1807 C CA . LEU A 1 6 ? -12.111 4.669 1.883 1.0 0.66 ? 6 LEU A CA 5 6 . A ATOM 1808 C C . LEU A 1 6 ? -11.460 5.458 0.740 1.0 0.68 ? 6 LEU A C 5 6 . A ATOM 1809 O O . LEU A 1 6 ? -11.077 4.877 -0.280 1.0 1.05 ? 6 LEU A O 5 6 . A ATOM 1810 C CB . LEU A 1 6 ? -13.625 4.568 1.652 1.0 0.8 ? 6 LEU A CB 5 6 . A ATOM 1811 C CG . LEU A 1 6 ? -14.333 3.420 2.385 1.0 0.91 ? 6 LEU A CG 5 6 . A ATOM 1812 C CD1 . LEU A 1 6 ? -15.794 3.765 2.628 1.0 1.08 ? 6 LEU A CD1 5 6 . A ATOM 1813 C CD2 . LEU A 1 6 ? -14.226 2.121 1.592 1.0 1.13 ? 6 LEU A CD2 5 6 . A ATOM 1814 H H . LEU A 1 6 ? -12.545 5.768 3.647 1.0 0.71 ? 6 LEU A H 5 6 . A ATOM 1815 H HA . LEU A 1 6 ? -11.693 3.673 1.896 1.0 0.75 ? 6 LEU A HA 5 6 . A ATOM 1816 H HB2 . LEU A 1 6 ? -14.076 5.498 1.965 1.0 0.88 ? 6 LEU A HB2 5 6 . A ATOM 1817 H HB3 . LEU A 1 6 ? -13.796 4.446 0.593 1.0 0.89 ? 6 LEU A HB3 5 6 . A ATOM 1818 H HG . LEU A 1 6 ? -13.861 3.267 3.345 1.0 1.1 ? 6 LEU A HG 5 6 . A ATOM 1819 H HD11 . LEU A 1 6 ? -16.276 2.947 3.142 1.0 1.22 ? 6 LEU A HD11 5 6 . A ATOM 1820 H HD12 . LEU A 1 6 ? -16.286 3.936 1.682 1.0 1.49 ? 6 LEU A HD12 5 6 . A ATOM 1821 H HD13 . LEU A 1 6 ? -15.857 4.658 3.233 1.0 1.18 ? 6 LEU A HD13 5 6 . A ATOM 1822 H HD21 . LEU A 1 6 ? -14.695 2.248 0.627 1.0 1.24 ? 6 LEU A HD21 5 6 . A ATOM 1823 H HD22 . LEU A 1 6 ? -14.721 1.327 2.131 1.0 1.27 ? 6 LEU A HD22 5 6 . A ATOM 1824 H HD23 . LEU A 1 6 ? -13.185 1.867 1.455 1.0 1.31 ? 6 LEU A HD23 5 6 . A ATOM 1825 N N . LYS A 1 7 ? -11.321 6.783 0.937 1.0 0.57 ? 7 LYS A N 5 7 . A ATOM 1826 C CA . LYS A 1 7 ? -10.709 7.674 -0.061 1.0 0.64 ? 7 LYS A CA 5 7 . A ATOM 1827 C C . LYS A 1 7 ? -9.193 7.458 -0.153 1.0 0.66 ? 7 LYS A C 5 7 . A ATOM 1828 O O . LYS A 1 7 ? -8.616 7.539 -1.242 1.0 0.74 ? 7 LYS A O 5 7 . A ATOM 1829 C CB . LYS A 1 7 ? -10.999 9.138 0.285 1.0 0.73 ? 7 LYS A CB 5 7 . A ATOM 1830 C CG . LYS A 1 7 ? -11.299 10.010 -0.932 1.0 1.05 ? 7 LYS A CG 5 7 . A ATOM 1831 C CD . LYS A 1 7 ? -11.420 11.492 -0.568 1.0 1.19 ? 7 LYS A CD 5 7 . A ATOM 1832 C CE . LYS A 1 7 ? -12.842 11.887 -0.166 1.0 1.59 ? 7 LYS A CE 5 7 . A ATOM 1833 N NZ . LYS A 1 7 ? -13.210 11.371 1.183 1.0 1.52 1 7 LYS A NZ 5 7 . A ATOM 1834 H H . LYS A 1 7 ? -11.639 7.169 1.779 1.0 0.69 ? 7 LYS A H 5 7 . A ATOM 1835 H HA . LYS A 1 7 ? -11.150 7.448 -1.021 1.0 0.7 ? 7 LYS A HA 5 7 . A ATOM 1836 H HB2 . LYS A 1 7 ? -11.850 9.176 0.948 1.0 0.78 ? 7 LYS A HB2 5 7 . A ATOM 1837 H HB3 . LYS A 1 7 ? -10.140 9.550 0.793 1.0 0.92 ? 7 LYS A HB3 5 7 . A ATOM 1838 H HG2 . LYS A 1 7 ? -10.499 9.892 -1.648 1.0 1.52 ? 7 LYS A HG2 5 7 . A ATOM 1839 H HG3 . LYS A 1 7 ? -12.227 9.680 -1.375 1.0 1.25 ? 7 LYS A HG3 5 7 . A ATOM 1840 H HD2 . LYS A 1 7 ? -10.758 11.703 0.258 1.0 1.19 ? 7 LYS A HD2 5 7 . A ATOM 1841 H HD3 . LYS A 1 7 ? -11.124 12.084 -1.423 1.0 1.49 ? 7 LYS A HD3 5 7 . A ATOM 1842 H HE2 . LYS A 1 7 ? -12.911 12.965 -0.157 1.0 1.94 ? 7 LYS A HE2 5 7 . A ATOM 1843 H HE3 . LYS A 1 7 ? -13.533 11.491 -0.895 1.0 2.19 ? 7 LYS A HE3 5 7 . A ATOM 1844 H HZ1 . LYS A 1 7 ? -14.179 11.660 1.424 1.0 2.02 ? 7 LYS A HZ1 5 7 . A ATOM 1845 H HZ2 . LYS A 1 7 ? -12.559 11.749 1.901 1.0 1.72 ? 7 LYS A HZ2 5 7 . A ATOM 1846 H HZ3 . LYS A 1 7 ? -13.156 10.333 1.196 1.0 1.75 ? 7 LYS A HZ3 5 7 . A ATOM 1847 N N . VAL A 1 8 ? -8.561 7.183 0.999 1.0 0.65 ? 8 VAL A N 5 8 . A ATOM 1848 C CA . VAL A 1 8 ? -7.107 6.946 1.059 1.0 0.75 ? 8 VAL A CA 5 8 . A ATOM 1849 C C . VAL A 1 8 ? -6.750 5.469 0.807 1.0 0.73 ? 8 VAL A C 5 8 . A ATOM 1850 O O . VAL A 1 8 ? -5.588 5.149 0.538 1.0 1.09 ? 8 VAL A O 5 8 . A ATOM 1851 C CB . VAL A 1 8 ? -6.474 7.413 2.407 1.0 0.88 ? 8 VAL A CB 5 8 . A ATOM 1852 C CG1 . VAL A 1 8 ? -6.405 8.933 2.463 1.0 0.99 ? 8 VAL A CG1 5 8 . A ATOM 1853 C CG2 . VAL A 1 8 ? -7.228 6.873 3.626 1.0 0.86 ? 8 VAL A CG2 5 8 . A ATOM 1854 H H . VAL A 1 8 ? -9.083 7.138 1.828 1.0 0.62 ? 8 VAL A H 5 8 . A ATOM 1855 H HA . VAL A 1 8 ? -6.660 7.534 0.269 1.0 0.81 ? 8 VAL A HA 5 8 . A ATOM 1856 H HB . VAL A 1 8 ? -5.462 7.036 2.446 1.0 0.96 ? 8 VAL A HB 5 8 . A ATOM 1857 H HG11 . VAL A 1 8 ? -5.972 9.239 3.404 1.0 1.09 ? 8 VAL A HG11 5 8 . A ATOM 1858 H HG12 . VAL A 1 8 ? -7.400 9.343 2.374 1.0 0.94 ? 8 VAL A HG12 5 8 . A ATOM 1859 H HG13 . VAL A 1 8 ? -5.792 9.296 1.651 1.0 1.05 ? 8 VAL A HG13 5 8 . A ATOM 1860 H HG21 . VAL A 1 8 ? -7.283 5.796 3.568 1.0 1.28 ? 8 VAL A HG21 5 8 . A ATOM 1861 H HG22 . VAL A 1 8 ? -8.227 7.284 3.641 1.0 1.02 ? 8 VAL A HG22 5 8 . A ATOM 1862 H HG23 . VAL A 1 8 ? -6.708 7.160 4.528 1.0 1.3 ? 8 VAL A HG23 5 8 . A ATOM 1863 N N . LEU A 1 9 ? -7.755 4.586 0.898 1.0 0.61 ? 9 LEU A N 5 9 . A ATOM 1864 C CA . LEU A 1 9 ? -7.557 3.147 0.683 1.0 0.66 ? 9 LEU A CA 5 9 . A ATOM 1865 C C . LEU A 1 9 ? -7.824 2.741 -0.771 1.0 0.63 ? 9 LEU A C 5 9 . A ATOM 1866 O O . LEU A 1 9 ? -7.315 1.713 -1.229 1.0 0.8 ? 9 LEU A O 5 9 . A ATOM 1867 C CB . LEU A 1 9 ? -8.463 2.338 1.622 1.0 0.82 ? 9 LEU A CB 5 9 . A ATOM 1868 C CG . LEU A 1 9 ? -7.754 1.625 2.784 1.0 0.99 ? 9 LEU A CG 5 9 . A ATOM 1869 C CD1 . LEU A 1 9 ? -7.500 2.581 3.946 1.0 1.17 ? 9 LEU A CD1 5 9 . A ATOM 1870 C CD2 . LEU A 1 9 ? -8.576 0.432 3.250 1.0 1.19 ? 9 LEU A CD2 5 9 . A ATOM 1871 H H . LEU A 1 9 ? -8.654 4.912 1.115 1.0 0.78 ? 9 LEU A H 5 9 . A ATOM 1872 H HA . LEU A 1 9 ? -6.528 2.923 0.917 1.0 0.73 ? 9 LEU A HA 5 9 . A ATOM 1873 H HB2 . LEU A 1 9 ? -9.201 3.009 2.038 1.0 0.84 ? 9 LEU A HB2 5 9 . A ATOM 1874 H HB3 . LEU A 1 9 ? -8.975 1.592 1.033 1.0 0.9 ? 9 LEU A HB3 5 9 . A ATOM 1875 H HG . LEU A 1 9 ? -6.798 1.257 2.443 1.0 1.16 ? 9 LEU A HG 5 9 . A ATOM 1876 H HD11 . LEU A 1 9 ? -7.028 2.046 4.756 1.0 1.48 ? 9 LEU A HD11 5 9 . A ATOM 1877 H HD12 . LEU A 1 9 ? -8.439 2.992 4.285 1.0 1.24 ? 9 LEU A HD12 5 9 . A ATOM 1878 H HD13 . LEU A 1 9 ? -6.854 3.382 3.618 1.0 1.43 ? 9 LEU A HD13 5 9 . A ATOM 1879 H HD21 . LEU A 1 9 ? -9.551 0.769 3.569 1.0 1.29 ? 9 LEU A HD21 5 9 . A ATOM 1880 H HD22 . LEU A 1 9 ? -8.073 -0.051 4.075 1.0 1.33 ? 9 LEU A HD22 5 9 . A ATOM 1881 H HD23 . LEU A 1 9 ? -8.686 -0.269 2.435 1.0 1.33 ? 9 LEU A HD23 5 9 . A ATOM 1882 N N . THR A 1 10 ? -8.621 3.549 -1.489 1.0 0.58 ? 10 THR A N 5 10 . A ATOM 1883 C CA . THR A 1 10 ? -8.955 3.269 -2.896 1.0 0.7 ? 10 THR A CA 5 10 . A ATOM 1884 C C . THR A 1 10 ? -7.919 3.852 -3.870 1.0 0.7 ? 10 THR A C 5 10 . A ATOM 1885 O O . THR A 1 10 ? -8.041 3.677 -5.088 1.0 0.88 ? 10 THR A O 5 10 . A ATOM 1886 C CB . THR A 1 10 ? -10.352 3.816 -3.271 1.0 0.82 ? 10 THR A CB 5 10 . A ATOM 1887 O OG1 . THR A 1 10 ? -10.477 5.181 -2.856 1.0 0.97 ? 10 THR A OG1 5 10 . A ATOM 1888 C CG2 . THR A 1 10 ? -11.460 2.980 -2.639 1.0 1.05 ? 10 THR A CG2 5 10 . A ATOM 1889 H H . THR A 1 10 ? -8.991 4.350 -1.064 1.0 0.61 ? 10 THR A H 5 10 . A ATOM 1890 H HA . THR A 1 10 ? -8.975 2.195 -3.018 1.0 0.8 ? 10 THR A HA 5 10 . A ATOM 1891 H HB . THR A 1 10 ? -10.459 3.768 -4.345 1.0 0.97 ? 10 THR A HB 5 10 . A ATOM 1892 H HG1 . THR A 1 10 ? -11.159 5.613 -3.375 1.0 1.15 ? 10 THR A HG1 5 10 . A ATOM 1893 H HG21 . THR A 1 10 ? -12.421 3.388 -2.916 1.0 1.35 ? 10 THR A HG21 5 10 . A ATOM 1894 H HG22 . THR A 1 10 ? -11.357 3.000 -1.564 1.0 1.45 ? 10 THR A HG22 5 10 . A ATOM 1895 H HG23 . THR A 1 10 ? -11.386 1.962 -2.990 1.0 1.46 ? 10 THR A HG23 5 10 . A ATOM 1896 N N . THR A 1 11 ? -6.899 4.532 -3.328 1.0 0.59 ? 11 THR A N 5 11 . A ATOM 1897 C CA . THR A 1 11 ? -5.847 5.143 -4.147 1.0 0.7 ? 11 THR A CA 5 11 . A ATOM 1898 C C . THR A 1 11 ? -4.505 4.428 -3.979 1.0 0.8 ? 11 THR A C 5 11 . A ATOM 1899 O O . THR A 1 11 ? -3.828 4.136 -4.970 1.0 1.51 ? 11 THR A O 5 11 . A ATOM 1900 C CB . THR A 1 11 ? -5.662 6.641 -3.817 1.0 0.65 ? 11 THR A CB 5 11 . A ATOM 1901 O OG1 . THR A 1 11 ? -5.606 6.832 -2.398 1.0 0.51 ? 11 THR A OG1 5 11 . A ATOM 1902 C CG2 . THR A 1 11 ? -6.793 7.476 -4.404 1.0 0.76 ? 11 THR A CG2 5 11 . A ATOM 1903 H H . THR A 1 11 ? -6.854 4.623 -2.354 1.0 0.51 ? 11 THR A H 5 11 . A ATOM 1904 H HA . THR A 1 11 ? -6.150 5.065 -5.181 1.0 0.88 ? 11 THR A HA 5 11 . A ATOM 1905 H HB . THR A 1 11 ? -4.730 6.974 -4.251 1.0 0.76 ? 11 THR A HB 5 11 . A ATOM 1906 H HG1 . THR A 1 11 ? -6.004 7.676 -2.172 1.0 0.97 ? 11 THR A HG1 5 11 . A ATOM 1907 H HG21 . THR A 1 11 ? -6.641 8.515 -4.153 1.0 1.28 ? 11 THR A HG21 5 11 . A ATOM 1908 H HG22 . THR A 1 11 ? -7.736 7.142 -3.997 1.0 1.01 ? 11 THR A HG22 5 11 . A ATOM 1909 H HG23 . THR A 1 11 ? -6.804 7.363 -5.478 1.0 1.16 ? 11 THR A HG23 5 11 . A ATOM 1910 N N . GLY A 1 12 ? -4.130 4.150 -2.723 1.0 0.88 ? 12 GLY A N 5 12 . A ATOM 1911 C CA . GLY A 1 12 ? -2.868 3.478 -2.438 1.0 0.94 ? 12 GLY A CA 5 12 . A ATOM 1912 C C . GLY A 1 12 ? -3.030 1.985 -2.223 1.0 0.89 ? 12 GLY A C 5 12 . A ATOM 1913 O O . GLY A 1 12 ? -3.604 1.559 -1.217 1.0 0.98 ? 12 GLY A O 5 12 . A ATOM 1914 H H . GLY A 1 12 ? -4.719 4.406 -1.983 1.0 1.39 ? 12 GLY A H 5 12 . A ATOM 1915 H HA2 . GLY A 1 12 ? -2.194 3.639 -3.266 1.0 1.07 ? 12 GLY A HA2 5 12 . A ATOM 1916 H HA3 . GLY A 1 12 ? -2.435 3.914 -1.549 1.0 0.97 ? 12 GLY A HA3 5 12 . A ATOM 1917 N N . LEU A 1 13 ? -2.520 1.194 -3.177 1.0 0.8 ? 13 LEU A N 5 13 . A ATOM 1918 C CA . LEU A 1 13 ? -2.594 -0.270 -3.109 1.0 0.75 ? 13 LEU A CA 5 13 . A ATOM 1919 C C . LEU A 1 13 ? -1.276 -0.936 -3.564 1.0 0.67 ? 13 LEU A C 5 13 . A ATOM 1920 O O . LEU A 1 13 ? -0.797 -1.839 -2.871 1.0 0.63 ? 13 LEU A O 5 13 . A ATOM 1921 C CB . LEU A 1 13 ? -3.771 -0.802 -3.948 1.0 0.84 ? 13 LEU A CB 5 13 . A ATOM 1922 C CG . LEU A 1 13 ? -4.429 -2.085 -3.421 1.0 0.93 ? 13 LEU A CG 5 13 . A ATOM 1923 C CD1 . LEU A 1 13 ? -5.511 -1.762 -2.398 1.0 1.5 ? 13 LEU A CD1 5 13 . A ATOM 1924 C CD2 . LEU A 1 13 ? -5.007 -2.897 -4.571 1.0 1.2 ? 13 LEU A CD2 5 13 . A ATOM 1925 H H . LEU A 1 13 ? -2.081 1.608 -3.950 1.0 0.8 ? 13 LEU A H 5 13 . A ATOM 1926 H HA . LEU A 1 13 ? -2.766 -0.533 -2.075 1.0 0.77 ? 13 LEU A HA 5 13 . A ATOM 1927 H HB2 . LEU A 1 13 ? -4.526 -0.032 -4.000 1.0 1.04 ? 13 LEU A HB2 5 13 . A ATOM 1928 H HB3 . LEU A 1 13 ? -3.414 -0.998 -4.947 1.0 0.87 ? 13 LEU A HB3 5 13 . A ATOM 1929 H HG . LEU A 1 13 ? -3.679 -2.689 -2.931 1.0 1.14 ? 13 LEU A HG 5 13 . A ATOM 1930 H HD11 . LEU A 1 13 ? -5.963 -2.679 -2.050 1.0 1.65 ? 13 LEU A HD11 5 13 . A ATOM 1931 H HD12 . LEU A 1 13 ? -6.266 -1.140 -2.857 1.0 1.79 ? 13 LEU A HD12 5 13 . A ATOM 1932 H HD13 . LEU A 1 13 ? -5.072 -1.237 -1.563 1.0 1.82 ? 13 LEU A HD13 5 13 . A ATOM 1933 H HD21 . LEU A 1 13 ? -5.735 -2.301 -5.102 1.0 1.54 ? 13 LEU A HD21 5 13 . A ATOM 1934 H HD22 . LEU A 1 13 ? -5.484 -3.784 -4.181 1.0 1.48 ? 13 LEU A HD22 5 13 . A ATOM 1935 H HD23 . LEU A 1 13 ? -4.213 -3.182 -5.245 1.0 1.47 ? 13 LEU A HD23 5 13 . A ATOM 1936 N N . PRO A 1 14 ? -0.651 -0.523 -4.724 1.0 0.71 ? 14 PRO A N 5 14 . A ATOM 1937 C CA . PRO A 1 14 ? 0.605 -1.135 -5.210 1.0 0.73 ? 14 PRO A CA 5 14 . A ATOM 1938 C C . PRO A 1 14 ? 1.859 -0.634 -4.477 1.0 0.75 ? 14 PRO A C 5 14 . A ATOM 1939 O O . PRO A 1 14 ? 2.943 -1.207 -4.638 1.0 0.92 ? 14 PRO A O 5 14 . A ATOM 1940 C CB . PRO A 1 14 ? 0.667 -0.722 -6.694 1.0 0.85 ? 14 PRO A CB 5 14 . A ATOM 1941 C CG . PRO A 1 14 ? -0.608 0.008 -6.980 1.0 0.91 ? 14 PRO A CG 5 14 . A ATOM 1942 C CD . PRO A 1 14 ? -1.087 0.536 -5.662 1.0 0.81 ? 14 PRO A CD 5 14 . A ATOM 1943 H HA . PRO A 1 14 ? 0.565 -2.212 -5.140 1.0 0.7 ? 14 PRO A HA 5 14 . A ATOM 1944 H HB2 . PRO A 1 14 ? 1.523 -0.078 -6.855 1.0 0.9 ? 14 PRO A HB2 5 14 . A ATOM 1945 H HB3 . PRO A 1 14 ? 0.740 -1.598 -7.319 1.0 0.93 ? 14 PRO A HB3 5 14 . A ATOM 1946 H HG2 . PRO A 1 14 ? -0.420 0.821 -7.668 1.0 1.08 ? 14 PRO A HG2 5 14 . A ATOM 1947 H HG3 . PRO A 1 14 ? -1.339 -0.672 -7.391 1.0 1.01 ? 14 PRO A HG3 5 14 . A ATOM 1948 H HD2 . PRO A 1 14 ? -0.609 1.478 -5.435 1.0 0.9 ? 14 PRO A HD2 5 14 . A ATOM 1949 H HD3 . PRO A 1 14 ? -2.160 0.642 -5.659 1.0 0.84 ? 14 PRO A HD3 5 14 . A ATOM 1950 N N . ALA A 1 15 ? 1.700 0.426 -3.667 1.0 0.67 ? 15 ALA A N 5 15 . A ATOM 1951 C CA . ALA A 1 15 ? 2.812 1.018 -2.907 1.0 0.73 ? 15 ALA A CA 5 15 . A ATOM 1952 C C . ALA A 1 15 ? 3.264 0.115 -1.753 1.0 0.73 ? 15 ALA A C 5 15 . A ATOM 1953 O O . ALA A 1 15 ? 4.467 -0.063 -1.533 1.0 0.88 ? 15 ALA A O 5 15 . A ATOM 1954 C CB . ALA A 1 15 ? 2.418 2.392 -2.382 1.0 0.8 ? 15 ALA A CB 5 15 . A ATOM 1955 H H . ALA A 1 15 ? 0.807 0.822 -3.580 1.0 0.63 ? 15 ALA A H 5 15 . A ATOM 1956 H HA . ALA A 1 15 ? 3.641 1.148 -3.588 1.0 0.77 ? 15 ALA A HA 5 15 . A ATOM 1957 H HB1 . ALA A 1 15 ? 2.100 3.015 -3.206 1.0 0.79 ? 15 ALA A HB1 5 15 . A ATOM 1958 H HB2 . ALA A 1 15 ? 3.266 2.847 -1.893 1.0 0.92 ? 15 ALA A HB2 5 15 . A ATOM 1959 H HB3 . ALA A 1 15 ? 1.607 2.288 -1.676 1.0 0.78 ? 15 ALA A HB3 5 15 . A ATOM 1960 N N . LEU A 1 16 ? 2.289 -0.466 -1.034 1.0 0.64 ? 16 LEU A N 5 16 . A ATOM 1961 C CA . LEU A 1 16 ? 2.569 -1.361 0.098 1.0 0.67 ? 16 LEU A CA 5 16 . A ATOM 1962 C C . LEU A 1 16 ? 3.120 -2.709 -0.378 1.0 0.63 ? 16 LEU A C 5 16 . A ATOM 1963 O O . LEU A 1 16 ? 3.992 -3.293 0.274 1.0 0.76 ? 16 LEU A O 5 16 . A ATOM 1964 C CB . LEU A 1 16 ? 1.299 -1.582 0.931 1.0 0.75 ? 16 LEU A CB 5 16 . A ATOM 1965 C CG . LEU A 1 16 ? 0.799 -0.358 1.708 1.0 0.96 ? 16 LEU A CG 5 16 . A ATOM 1966 C CD1 . LEU A 1 16 ? -0.147 0.479 0.855 1.0 1.2 ? 16 LEU A CD1 5 16 . A ATOM 1967 C CD2 . LEU A 1 16 ? 0.115 -0.791 2.997 1.0 1.23 ? 16 LEU A CD2 5 16 . A ATOM 1968 H H . LEU A 1 16 ? 1.356 -0.285 -1.273 1.0 0.63 ? 16 LEU A H 5 16 . A ATOM 1969 H HA . LEU A 1 16 ? 3.313 -0.884 0.718 1.0 0.72 ? 16 LEU A HA 5 16 . A ATOM 1970 H HB2 . LEU A 1 16 ? 0.512 -1.905 0.266 1.0 0.81 ? 16 LEU A HB2 5 16 . A ATOM 1971 H HB3 . LEU A 1 16 ? 1.494 -2.373 1.640 1.0 0.95 ? 16 LEU A HB3 5 16 . A ATOM 1972 H HG . LEU A 1 16 ? 1.644 0.262 1.971 1.0 1.21 ? 16 LEU A HG 5 16 . A ATOM 1973 H HD11 . LEU A 1 16 ? -0.484 1.334 1.423 1.0 1.66 ? 16 LEU A HD11 5 16 . A ATOM 1974 H HD12 . LEU A 1 16 ? -0.998 -0.120 0.567 1.0 1.38 ? 16 LEU A HD12 5 16 . A ATOM 1975 H HD13 . LEU A 1 16 ? 0.372 0.817 -0.031 1.0 1.32 ? 16 LEU A HD13 5 16 . A ATOM 1976 H HD21 . LEU A 1 16 ? -0.715 -1.441 2.763 1.0 1.24 ? 16 LEU A HD21 5 16 . A ATOM 1977 H HD22 . LEU A 1 16 ? -0.247 0.080 3.523 1.0 1.49 ? 16 LEU A HD22 5 16 . A ATOM 1978 H HD23 . LEU A 1 16 ? 0.822 -1.319 3.619 1.0 1.81 ? 16 LEU A HD23 5 16 . A ATOM 1979 N N . ILE A 1 17 ? 2.615 -3.178 -1.534 1.0 0.53 ? 17 ILE A N 5 17 . A ATOM 1980 C CA . ILE A 1 17 ? 3.042 -4.455 -2.136 1.0 0.52 ? 17 ILE A CA 5 17 . A ATOM 1981 C C . ILE A 1 17 ? 4.479 -4.341 -2.678 1.0 0.53 ? 17 ILE A C 5 17 . A ATOM 1982 O O . ILE A 1 17 ? 5.276 -5.278 -2.549 1.0 0.63 ? 17 ILE A O 5 17 . A ATOM 1983 C CB . ILE A 1 17 ? 2.080 -4.913 -3.288 1.0 0.54 ? 17 ILE A CB 5 17 . A ATOM 1984 C CG1 . ILE A 1 17 ? 0.580 -4.640 -2.957 1.0 0.6 ? 17 ILE A CG1 5 17 . A ATOM 1985 C CG2 . ILE A 1 17 ? 2.295 -6.393 -3.636 1.0 0.58 ? 17 ILE A CG2 5 17 . A ATOM 1986 C CD1 . ILE A 1 17 ? 0.054 -5.250 -1.657 1.0 0.64 ? 17 ILE A CD1 5 17 . A ATOM 1987 H H . ILE A 1 17 ? 1.935 -2.646 -1.997 1.0 0.54 ? 17 ILE A H 5 17 . A ATOM 1988 H HA . ILE A 1 17 ? 3.022 -5.207 -1.361 1.0 0.55 ? 17 ILE A HA 5 17 . A ATOM 1989 H HB . ILE A 1 17 ? 2.342 -4.341 -4.167 1.0 0.55 ? 17 ILE A HB 5 17 . A ATOM 1990 H HG12 . ILE A 1 17 ? 0.431 -3.574 -2.891 1.0 0.61 ? 17 ILE A HG12 5 17 . A ATOM 1991 H HG13 . ILE A 1 17 ? -0.025 -5.024 -3.767 1.0 0.64 ? 17 ILE A HG13 5 17 . A ATOM 1992 H HG21 . ILE A 1 17 ? 1.586 -6.691 -4.394 1.0 1.05 ? 17 ILE A HG21 5 17 . A ATOM 1993 H HG22 . ILE A 1 17 ? 2.150 -6.996 -2.751 1.0 1.42 ? 17 ILE A HG22 5 17 . A ATOM 1994 H HG23 . ILE A 1 17 ? 3.299 -6.532 -4.006 1.0 1.01 ? 17 ILE A HG23 5 17 . A ATOM 1995 H HD11 . ILE A 1 17 ? 0.181 -6.323 -1.685 1.0 1.2 ? 17 ILE A HD11 5 17 . A ATOM 1996 H HD12 . ILE A 1 17 ? -0.994 -5.015 -1.546 1.0 1.2 ? 17 ILE A HD12 5 17 . A ATOM 1997 H HD13 . ILE A 1 17 ? 0.604 -4.844 -0.821 1.0 1.23 ? 17 ILE A HD13 5 17 . A ATOM 1998 N N . SER A 1 18 ? 4.795 -3.174 -3.267 1.0 0.53 ? 18 SER A N 5 18 . A ATOM 1999 C CA . SER A 1 18 ? 6.129 -2.902 -3.823 1.0 0.6 ? 18 SER A CA 5 18 . A ATOM 2000 C C . SER A 1 18 ? 7.165 -2.685 -2.712 1.0 0.59 ? 18 SER A C 5 18 . A ATOM 2001 O O . SER A 1 18 ? 8.338 -3.040 -2.873 1.0 0.88 ? 18 SER A O 5 18 . A ATOM 2002 C CB . SER A 1 18 ? 6.084 -1.676 -4.738 1.0 0.73 ? 18 SER A CB 5 18 . A ATOM 2003 O OG . SER A 1 18 ? 5.242 -1.903 -5.855 1.0 0.8 ? 18 SER A OG 5 18 . A ATOM 2004 H H . SER A 1 18 ? 4.109 -2.477 -3.328 1.0 0.57 ? 18 SER A H 5 18 . A ATOM 2005 H HA . SER A 1 18 ? 6.423 -3.762 -4.406 1.0 0.63 ? 18 SER A HA 5 18 . A ATOM 2006 H HB2 . SER A 1 18 ? 5.704 -0.830 -4.184 1.0 0.74 ? 18 SER A HB2 5 18 . A ATOM 2007 H HB3 . SER A 1 18 ? 7.080 -1.457 -5.092 1.0 0.81 ? 18 SER A HB3 5 18 . A ATOM 2008 H HG . SER A 1 18 ? 4.961 -2.821 -5.864 1.0 1.1 ? 18 SER A HG 5 18 . A ATOM 2009 N N . TRP A 1 19 ? 6.712 -2.114 -1.581 1.0 0.49 ? 19 TRP A N 5 19 . A ATOM 2010 C CA . TRP A 1 19 ? 7.580 -1.853 -0.424 1.0 0.54 ? 19 TRP A CA 5 19 . A ATOM 2011 C C . TRP A 1 19 ? 7.919 -3.146 0.328 1.0 0.5 ? 19 TRP A C 5 19 . A ATOM 2012 O O . TRP A 1 19 ? 9.054 -3.321 0.789 1.0 0.59 ? 19 TRP A O 5 19 . A ATOM 2013 C CB . TRP A 1 19 ? 6.916 -0.850 0.525 1.0 0.68 ? 19 TRP A CB 5 19 . A ATOM 2014 C CG . TRP A 1 19 ? 7.343 0.573 0.287 1.0 0.62 ? 19 TRP A CG 5 19 . A ATOM 2015 C CD1 . TRP A 1 19 ? 6.918 1.408 -0.711 1.0 0.96 ? 19 TRP A CD1 5 19 . A ATOM 2016 C CD2 . TRP A 1 19 ? 8.281 1.336 1.053 1.0 0.63 ? 19 TRP A CD2 5 19 . A ATOM 2017 N NE1 . TRP A 1 19 ? 7.540 2.635 -0.608 1.0 1.09 ? 19 TRP A NE1 5 19 . A ATOM 2018 C CE2 . TRP A 1 19 ? 8.385 2.629 0.475 1.0 0.9 ? 19 TRP A CE2 5 19 . A ATOM 2019 C CE3 . TRP A 1 19 ? 9.074 1.079 2.196 1.0 0.84 ? 19 TRP A CE3 5 19 . A ATOM 2020 C CZ2 . TRP A 1 19 ? 9.216 3.657 0.964 1.0 1.16 ? 19 TRP A CZ2 5 19 . A ATOM 2021 C CZ3 . TRP A 1 19 ? 9.906 2.073 2.693 1.0 1.15 ? 19 TRP A CZ3 5 19 . A ATOM 2022 C CH2 . TRP A 1 19 ? 9.985 3.365 2.088 1.0 1.24 ? 19 TRP A CH2 5 19 . A ATOM 2023 H H . TRP A 1 19 ? 5.766 -1.863 -1.526 1.0 0.6 ? 19 TRP A H 5 19 . A ATOM 2024 H HA . TRP A 1 19 ? 8.498 -1.422 -0.796 1.0 0.59 ? 19 TRP A HA 5 19 . A ATOM 2025 H HB2 . TRP A 1 19 ? 5.845 -0.901 0.400 1.0 0.97 ? 19 TRP A HB2 5 19 . A ATOM 2026 H HB3 . TRP A 1 19 ? 7.167 -1.108 1.543 1.0 0.79 ? 19 TRP A HB3 5 19 . A ATOM 2027 H HD1 . TRP A 1 19 ? 6.201 1.129 -1.470 1.0 1.22 ? 19 TRP A HD1 5 19 . A ATOM 2028 H HE1 . TRP A 1 19 ? 7.399 3.396 -1.208 1.0 1.4 ? 19 TRP A HE1 5 19 . A ATOM 2029 H HE3 . TRP A 1 19 ? 9.044 0.109 2.670 1.0 0.96 ? 19 TRP A HE3 5 19 . A ATOM 2030 H HZ2 . TRP A 1 19 ? 9.266 4.621 0.479 1.0 1.42 ? 19 TRP A HZ2 5 19 . A ATOM 2031 H HZ3 . TRP A 1 19 ? 10.504 1.867 3.569 1.0 1.44 ? 19 TRP A HZ3 5 19 . A ATOM 2032 H HH2 . TRP A 1 19 ? 10.638 4.117 2.507 1.0 1.52 ? 19 TRP A HH2 5 19 . A ATOM 2033 N N . ILE A 1 20 ? 6.931 -4.056 0.431 1.0 0.52 ? 20 ILE A N 5 20 . A ATOM 2034 C CA . ILE A 1 20 ? 7.122 -5.350 1.116 1.0 0.56 ? 20 ILE A CA 5 20 . A ATOM 2035 C C . ILE A 1 20 ? 7.942 -6.326 0.257 1.0 0.59 ? 20 ILE A C 5 20 . A ATOM 2036 O O . ILE A 1 20 ? 8.720 -7.122 0.788 1.0 0.75 ? 20 ILE A O 5 20 . A ATOM 2037 C CB . ILE A 1 20 ? 5.777 -6.024 1.540 1.0 0.71 ? 20 ILE A CB 5 20 . A ATOM 2038 C CG1 . ILE A 1 20 ? 4.799 -6.179 0.359 1.0 0.93 ? 20 ILE A CG1 5 20 . A ATOM 2039 C CG2 . ILE A 1 20 ? 5.119 -5.241 2.669 1.0 1.12 ? 20 ILE A CG2 5 20 . A ATOM 2040 C CD1 . ILE A 1 20 ? 4.800 -7.566 -0.248 1.0 1.33 ? 20 ILE A CD1 5 20 . A ATOM 2041 H H . ILE A 1 20 ? 6.058 -3.853 0.037 1.0 0.58 ? 20 ILE A H 5 20 . A ATOM 2042 H HA . ILE A 1 20 ? 7.685 -5.148 2.018 1.0 0.57 ? 20 ILE A HA 5 20 . A ATOM 2043 H HB . ILE A 1 20 ? 6.013 -7.006 1.924 1.0 1.0 ? 20 ILE A HB 5 20 . A ATOM 2044 H HG12 . ILE A 1 20 ? 3.797 -5.968 0.699 1.0 1.04 ? 20 ILE A HG12 5 20 . A ATOM 2045 H HG13 . ILE A 1 20 ? 5.070 -5.477 -0.415 1.0 1.17 ? 20 ILE A HG13 5 20 . A ATOM 2046 H HG21 . ILE A 1 20 ? 5.780 -5.216 3.523 1.0 1.42 ? 20 ILE A HG21 5 20 . A ATOM 2047 H HG22 . ILE A 1 20 ? 4.191 -5.720 2.947 1.0 1.21 ? 20 ILE A HG22 5 20 . A ATOM 2048 H HG23 . ILE A 1 20 ? 4.918 -4.232 2.340 1.0 1.32 ? 20 ILE A HG23 5 20 . A ATOM 2049 H HD11 . ILE A 1 20 ? 4.185 -7.571 -1.136 1.0 1.7 ? 20 ILE A HD11 5 20 . A ATOM 2050 H HD12 . ILE A 1 20 ? 4.405 -8.272 0.467 1.0 1.35 ? 20 ILE A HD12 5 20 . A ATOM 2051 H HD13 . ILE A 1 20 ? 5.811 -7.845 -0.507 1.0 1.51 ? 20 ILE A HD13 5 20 . A ATOM 2052 N N . LYS A 1 21 ? 7.760 -6.243 -1.075 1.0 0.54 ? 21 LYS A N 5 21 . A ATOM 2053 C CA . LYS A 1 21 ? 8.484 -7.099 -2.028 1.0 0.66 ? 21 LYS A CA 5 21 . A ATOM 2054 C C . LYS A 1 21 ? 9.944 -6.657 -2.180 1.0 0.6 ? 21 LYS A C 5 21 . A ATOM 2055 O O . LYS A 1 21 ? 10.837 -7.495 -2.341 1.0 0.7 ? 21 LYS A O 5 21 . A ATOM 2056 C CB . LYS A 1 21 ? 7.796 -7.086 -3.396 1.0 0.79 ? 21 LYS A CB 5 21 . A ATOM 2057 C CG . LYS A 1 21 ? 6.552 -7.957 -3.468 1.0 1.01 ? 21 LYS A CG 5 21 . A ATOM 2058 C CD . LYS A 1 21 ? 5.995 -8.016 -4.881 1.0 1.03 ? 21 LYS A CD 5 21 . A ATOM 2059 C CE . LYS A 1 21 ? 4.829 -8.987 -4.979 1.0 1.13 ? 21 LYS A CE 5 21 . A ATOM 2060 N NZ . LYS A 1 21 ? 4.221 -8.987 -6.338 1.0 1.58 1 21 LYS A NZ 5 21 . A ATOM 2061 H H . LYS A 1 21 ? 7.119 -5.588 -1.422 1.0 0.52 ? 21 LYS A H 5 21 . A ATOM 2062 H HA . LYS A 1 21 ? 8.468 -8.107 -1.640 1.0 0.75 ? 21 LYS A HA 5 21 . A ATOM 2063 H HB2 . LYS A 1 21 ? 7.512 -6.071 -3.632 1.0 1.0 ? 21 LYS A HB2 5 21 . A ATOM 2064 H HB3 . LYS A 1 21 ? 8.497 -7.435 -4.140 1.0 0.9 ? 21 LYS A HB3 5 21 . A ATOM 2065 H HG2 . LYS A 1 21 ? 6.805 -8.957 -3.149 1.0 1.29 ? 21 LYS A HG2 5 21 . A ATOM 2066 H HG3 . LYS A 1 21 ? 5.800 -7.546 -2.811 1.0 1.39 ? 21 LYS A HG3 5 21 . A ATOM 2067 H HD2 . LYS A 1 21 ? 5.655 -7.032 -5.165 1.0 1.28 ? 21 LYS A HD2 5 21 . A ATOM 2068 H HD3 . LYS A 1 21 ? 6.777 -8.338 -5.552 1.0 1.06 ? 21 LYS A HD3 5 21 . A ATOM 2069 H HE2 . LYS A 1 21 ? 5.185 -9.981 -4.754 1.0 1.11 ? 21 LYS A HE2 5 21 . A ATOM 2070 H HE3 . LYS A 1 21 ? 4.078 -8.702 -4.257 1.0 1.19 ? 21 LYS A HE3 5 21 . A ATOM 2071 H HZ1 . LYS A 1 21 ? 3.401 -9.627 -6.363 1.0 1.84 ? 21 LYS A HZ1 5 21 . A ATOM 2072 H HZ2 . LYS A 1 21 ? 4.917 -9.306 -7.041 1.0 1.52 ? 21 LYS A HZ2 5 21 . A ATOM 2073 H HZ3 . LYS A 1 21 ? 3.906 -8.028 -6.589 1.0 2.1 ? 21 LYS A HZ3 5 21 . A ATOM 2074 N N . ARG A 1 22 ? 10.172 -5.335 -2.116 1.0 0.56 ? 22 ARG A N 5 22 . A ATOM 2075 C CA . ARG A 1 22 ? 11.521 -4.762 -2.232 1.0 0.56 ? 22 ARG A CA 5 22 . A ATOM 2076 C C . ARG A 1 22 ? 12.304 -4.898 -0.920 1.0 0.52 ? 22 ARG A C 5 22 . A ATOM 2077 O O . ARG A 1 22 ? 13.536 -4.987 -0.935 1.0 0.66 ? 22 ARG A O 5 22 . A ATOM 2078 C CB . ARG A 1 22 ? 11.447 -3.290 -2.647 1.0 0.63 ? 22 ARG A CB 5 22 . A ATOM 2079 C CG . ARG A 1 22 ? 11.143 -3.087 -4.123 1.0 0.92 ? 22 ARG A CG 5 22 . A ATOM 2080 C CD . ARG A 1 22 ? 11.174 -1.615 -4.502 1.0 1.04 ? 22 ARG A CD 5 22 . A ATOM 2081 N NE . ARG A 1 22 ? 10.943 -1.412 -5.938 1.0 1.25 ? 22 ARG A NE 5 22 . A ATOM 2082 C CZ . ARG A 1 22 ? 11.103 -0.245 -6.581 1.0 1.56 ? 22 ARG A CZ 5 22 . A ATOM 2083 N NH1 . ARG A 1 22 ? 11.498 0.850 -5.935 1.0 1.61 1 22 ARG A NH1 5 22 . A ATOM 2084 N NH2 . ARG A 1 22 ? 10.866 -0.179 -7.884 1.0 2.06 ? 22 ARG A NH2 5 22 . A ATOM 2085 H H . ARG A 1 22 ? 9.412 -4.729 -1.990 1.0 0.61 ? 22 ARG A H 5 22 . A ATOM 2086 H HA . ARG A 1 22 ? 12.043 -5.313 -3.000 1.0 0.67 ? 22 ARG A HA 5 22 . A ATOM 2087 H HB2 . ARG A 1 22 ? 10.673 -2.804 -2.071 1.0 0.98 ? 22 ARG A HB2 5 22 . A ATOM 2088 H HB3 . ARG A 1 22 ? 12.395 -2.819 -2.428 1.0 0.82 ? 22 ARG A HB3 5 22 . A ATOM 2089 H HG2 . ARG A 1 22 ? 11.881 -3.614 -4.709 1.0 1.19 ? 22 ARG A HG2 5 22 . A ATOM 2090 H HG3 . ARG A 1 22 ? 10.161 -3.483 -4.336 1.0 1.48 ? 22 ARG A HG3 5 22 . A ATOM 2091 H HD2 . ARG A 1 22 ? 10.407 -1.097 -3.947 1.0 1.28 ? 22 ARG A HD2 5 22 . A ATOM 2092 H HD3 . ARG A 1 22 ? 12.141 -1.210 -4.242 1.0 1.34 ? 22 ARG A HD3 5 22 . A ATOM 2093 H HE . ARG A 1 22 ? 10.650 -2.190 -6.456 1.0 1.43 ? 22 ARG A HE 5 22 . A ATOM 2094 H HH11 . ARG A 1 22 ? 11.681 0.813 -4.953 1.0 1.53 ? 22 ARG A HH11 5 22 . A ATOM 2095 H HH12 . ARG A 1 22 ? 11.611 1.710 -6.433 1.0 1.91 ? 22 ARG A HH12 5 22 . A ATOM 2096 H HH21 . ARG A 1 22 ? 10.570 -0.994 -8.381 1.0 2.25 ? 22 ARG A HH21 5 22 . A ATOM 2097 H HH22 . ARG A 1 22 ? 10.983 0.688 -8.369 1.0 2.34 ? 22 ARG A HH22 5 22 . A ATOM 2098 N N . LYS A 1 23 ? 11.576 -4.921 0.210 1.0 0.54 ? 23 LYS A N 5 23 . A ATOM 2099 C CA . LYS A 1 23 ? 12.190 -5.063 1.537 1.0 0.58 ? 23 LYS A CA 5 23 . A ATOM 2100 C C . LYS A 1 23 ? 12.418 -6.536 1.901 1.0 0.55 ? 23 LYS A C 5 23 . A ATOM 2101 O O . LYS A 1 23 ? 13.241 -6.842 2.769 1.0 0.59 ? 23 LYS A O 5 23 . A ATOM 2102 C CB . LYS A 1 23 ? 11.323 -4.393 2.604 1.0 0.76 ? 23 LYS A CB 5 23 . A ATOM 2103 C CG . LYS A 1 23 ? 11.535 -2.892 2.704 1.0 0.87 ? 23 LYS A CG 5 23 . A ATOM 2104 C CD . LYS A 1 23 ? 10.758 -2.295 3.868 1.0 0.92 ? 23 LYS A CD 5 23 . A ATOM 2105 C CE . LYS A 1 23 ? 11.160 -0.849 4.128 1.0 1.04 ? 23 LYS A CE 5 23 . A ATOM 2106 N NZ . LYS A 1 23 ? 12.461 -0.750 4.848 1.0 1.28 1 23 LYS A NZ 5 23 . A ATOM 2107 H H . LYS A 1 23 ? 10.602 -4.839 0.146 1.0 0.65 ? 23 LYS A H 5 23 . A ATOM 2108 H HA . LYS A 1 23 ? 13.148 -4.566 1.507 1.0 0.61 ? 23 LYS A HA 5 23 . A ATOM 2109 H HB2 . LYS A 1 23 ? 10.284 -4.574 2.371 1.0 0.93 ? 23 LYS A HB2 5 23 . A ATOM 2110 H HB3 . LYS A 1 23 ? 11.549 -4.833 3.564 1.0 0.93 ? 23 LYS A HB3 5 23 . A ATOM 2111 H HG2 . LYS A 1 23 ? 12.587 -2.696 2.849 1.0 1.19 ? 23 LYS A HG2 5 23 . A ATOM 2112 H HG3 . LYS A 1 23 ? 11.204 -2.429 1.786 1.0 1.25 ? 23 LYS A HG3 5 23 . A ATOM 2113 H HD2 . LYS A 1 23 ? 9.703 -2.329 3.639 1.0 1.26 ? 23 LYS A HD2 5 23 . A ATOM 2114 H HD3 . LYS A 1 23 ? 10.954 -2.878 4.755 1.0 1.17 ? 23 LYS A HD3 5 23 . A ATOM 2115 H HE2 . LYS A 1 23 ? 11.246 -0.338 3.181 1.0 1.4 ? 23 LYS A HE2 5 23 . A ATOM 2116 H HE3 . LYS A 1 23 ? 10.392 -0.377 4.723 1.0 1.42 ? 23 LYS A HE3 5 23 . A ATOM 2117 H HZ1 . LYS A 1 23 ? 12.395 -1.225 5.771 1.0 1.46 ? 23 LYS A HZ1 5 23 . A ATOM 2118 H HZ2 . LYS A 1 23 ? 12.709 0.248 5.001 1.0 1.73 ? 23 LYS A HZ2 5 23 . A ATOM 2119 H HZ3 . LYS A 1 23 ? 13.213 -1.202 4.290 1.0 1.85 ? 23 LYS A HZ3 5 23 . A ATOM 2120 N N . ARG A 1 24 ? 11.684 -7.436 1.230 1.0 0.6 ? 24 ARG A N 5 24 . A ATOM 2121 C CA . ARG A 1 24 ? 11.804 -8.880 1.465 1.0 0.7 ? 24 ARG A CA 5 24 . A ATOM 2122 C C . ARG A 1 24 ? 12.822 -9.510 0.506 1.0 0.66 ? 24 ARG A C 5 24 . A ATOM 2123 O O . ARG A 1 24 ? 13.484 -10.491 0.856 1.0 0.76 ? 24 ARG A O 5 24 . A ATOM 2124 C CB . ARG A 1 24 ? 10.440 -9.559 1.301 1.0 0.89 ? 24 ARG A CB 5 24 . A ATOM 2125 C CG . ARG A 1 24 ? 10.237 -10.769 2.204 1.0 1.36 ? 24 ARG A CG 5 24 . A ATOM 2126 C CD . ARG A 1 24 ? 8.898 -11.439 1.941 1.0 1.41 ? 24 ARG A CD 5 24 . A ATOM 2127 N NE . ARG A 1 24 ? 8.708 -12.634 2.772 1.0 1.42 ? 24 ARG A NE 5 24 . A ATOM 2128 C CZ . ARG A 1 24 ? 7.702 -13.509 2.633 1.0 1.54 ? 24 ARG A CZ 5 24 . A ATOM 2129 N NH1 . ARG A 1 24 ? 6.770 -13.345 1.695 1.0 1.76 1 24 ARG A NH1 5 24 . A ATOM 2130 N NH2 . ARG A 1 24 ? 7.629 -14.557 3.442 1.0 1.78 ? 24 ARG A NH2 5 24 . A ATOM 2131 H H . ARG A 1 24 ? 11.044 -7.119 0.560 1.0 0.65 ? 24 ARG A H 5 24 . A ATOM 2132 H HA . ARG A 1 24 ? 12.148 -9.022 2.479 1.0 0.76 ? 24 ARG A HA 5 24 . A ATOM 2133 H HB2 . ARG A 1 24 ? 9.665 -8.840 1.522 1.0 0.92 ? 24 ARG A HB2 5 24 . A ATOM 2134 H HB3 . ARG A 1 24 ? 10.335 -9.882 0.276 1.0 1.17 ? 24 ARG A HB3 5 24 . A ATOM 2135 H HG2 . ARG A 1 24 ? 11.027 -11.481 2.019 1.0 1.78 ? 24 ARG A HG2 5 24 . A ATOM 2136 H HG3 . ARG A 1 24 ? 10.272 -10.447 3.234 1.0 1.59 ? 24 ARG A HG3 5 24 . A ATOM 2137 H HD2 . ARG A 1 24 ? 8.109 -10.734 2.156 1.0 1.52 ? 24 ARG A HD2 5 24 . A ATOM 2138 H HD3 . ARG A 1 24 ? 8.851 -11.725 0.901 1.0 1.59 ? 24 ARG A HD3 5 24 . A ATOM 2139 H HE . ARG A 1 24 ? 9.370 -12.796 3.476 1.0 1.58 ? 24 ARG A HE 5 24 . A ATOM 2140 H HH11 . ARG A 1 24 ? 6.814 -12.559 1.079 1.0 1.84 ? 24 ARG A HH11 5 24 . A ATOM 2141 H HH12 . ARG A 1 24 ? 6.027 -14.009 1.607 1.0 2.01 ? 24 ARG A HH12 5 24 . A ATOM 2142 H HH21 . ARG A 1 24 ? 8.322 -14.692 4.150 1.0 1.94 ? 24 ARG A HH21 5 24 . A ATOM 2143 H HH22 . ARG A 1 24 ? 6.880 -15.214 3.343 1.0 1.96 ? 24 ARG A HH22 5 24 . A ATOM 2144 N N . GLN A 1 25 ? 12.934 -8.935 -0.702 1.0 0.59 ? 25 GLN A N 5 25 . A ATOM 2145 C CA . GLN A 1 25 ? 13.869 -9.426 -1.722 1.0 0.62 ? 25 GLN A CA 5 25 . A ATOM 2146 C C . GLN A 1 25 ? 15.241 -8.754 -1.593 1.0 0.58 ? 25 GLN A C 5 25 . A ATOM 2147 O O . GLN A 1 25 ? 16.274 -9.417 -1.727 1.0 0.68 ? 25 GLN A O 5 25 . A ATOM 2148 C CB . GLN A 1 25 ? 13.302 -9.193 -3.128 1.0 0.7 ? 25 GLN A CB 5 25 . A ATOM 2149 C CG . GLN A 1 25 ? 12.174 -10.150 -3.502 1.0 1.11 ? 25 GLN A CG 5 25 . A ATOM 2150 C CD . GLN A 1 25 ? 11.639 -9.936 -4.911 1.0 1.18 ? 25 GLN A CD 5 25 . A ATOM 2151 O OE1 . GLN A 1 25 ? 12.373 -9.560 -5.830 1.0 1.5 ? 25 GLN A OE1 5 25 . A ATOM 2152 N NE2 . GLN A 1 25 ? 10.346 -10.178 -5.089 1.0 1.28 ? 25 GLN A NE2 5 25 . A ATOM 2153 H H . GLN A 1 25 ? 12.372 -8.160 -0.911 1.0 0.59 ? 25 GLN A H 5 25 . A ATOM 2154 H HA . GLN A 1 25 ? 13.991 -10.488 -1.569 1.0 0.73 ? 25 GLN A HA 5 25 . A ATOM 2155 H HB2 . GLN A 1 25 ? 12.921 -8.184 -3.186 1.0 0.73 ? 25 GLN A HB2 5 25 . A ATOM 2156 H HB3 . GLN A 1 25 ? 14.097 -9.310 -3.848 1.0 1.04 ? 25 GLN A HB3 5 25 . A ATOM 2157 H HG2 . GLN A 1 25 ? 12.543 -11.162 -3.428 1.0 1.51 ? 25 GLN A HG2 5 25 . A ATOM 2158 H HG3 . GLN A 1 25 ? 11.362 -10.015 -2.802 1.0 1.3 ? 25 GLN A HG3 5 25 . A ATOM 2159 H HE21 . GLN A 1 25 ? 9.820 -10.475 -4.316 1.0 1.53 ? 25 GLN A HE21 5 25 . A ATOM 2160 H HE22 . GLN A 1 25 ? 9.969 -10.050 -5.984 1.0 1.31 ? 25 GLN A HE22 5 25 . A ATOM 2161 N N . GLN A 1 26 ? 15.236 -7.440 -1.334 1.0 0.55 ? 26 GLN A N 5 26 . A ATOM 2162 C CA . GLN A 1 26 ? 16.472 -6.669 -1.179 1.0 0.64 ? 26 GLN A CA 5 26 . A ATOM 2163 C C . GLN A 1 26 ? 16.717 -6.311 0.289 1.0 0.76 ? 26 GLN A C 5 26 . A ATOM 2164 O O . GLN A 1 26 ? 17.808 -6.522 0.820 1.0 0.87 ? 26 GLN A O 5 26 . A ATOM 2165 C CB . GLN A 1 26 ? 16.430 -5.397 -2.038 1.0 0.78 ? 26 GLN A CB 5 26 . A ATOM 2166 C CG . GLN A 1 26 ? 16.614 -5.655 -3.526 1.0 0.82 ? 26 GLN A CG 5 26 . A ATOM 2167 C CD . GLN A 1 26 ? 16.602 -4.379 -4.344 1.0 1.06 ? 26 GLN A CD 5 26 . A ATOM 2168 O OE1 . GLN A 1 26 ? 15.551 -3.932 -4.804 1.0 1.31 ? 26 GLN A OE1 5 26 . A ATOM 2169 N NE2 . GLN A 1 26 ? 17.775 -3.785 -4.529 1.0 1.13 ? 26 GLN A NE2 5 26 . A ATOM 2170 H H . GLN A 1 26 ? 14.376 -6.978 -1.247 1.0 0.55 ? 26 GLN A H 5 26 . A ATOM 2171 H HA . GLN A 1 26 ? 17.287 -7.290 -1.520 1.0 0.63 ? 26 GLN A HA 5 26 . A ATOM 2172 H HB2 . GLN A 1 26 ? 15.476 -4.912 -1.895 1.0 0.84 ? 26 GLN A HB2 5 26 . A ATOM 2173 H HB3 . GLN A 1 26 ? 17.215 -4.730 -1.711 1.0 0.89 ? 26 GLN A HB3 5 26 . A ATOM 2174 H HG2 . GLN A 1 26 ? 17.560 -6.152 -3.678 1.0 0.8 ? 26 GLN A HG2 5 26 . A ATOM 2175 H HG3 . GLN A 1 26 ? 15.814 -6.294 -3.870 1.0 0.78 ? 26 GLN A HG3 5 26 . A ATOM 2176 H HE21 . GLN A 1 26 ? 18.571 -4.198 -4.133 1.0 1.11 ? 26 GLN A HE21 5 26 . A ATOM 2177 H HE22 . GLN A 1 26 ? 17.797 -2.957 -5.054 1.0 1.29 ? 26 GLN A HE22 5 26 . A HETATM 2178 N N . NH2 A 1 27 ? 15.689 -5.768 0.939 1.0 0.84 ? 27 NH2 A N 5 27 . A HETATM 2179 H HN1 . NH2 A 1 27 ? 14.852 -5.631 0.448 1.0 0.81 ? 27 NH2 A HN1 5 27 . A HETATM 2180 H HN2 . NH2 A 1 27 ? 15.811 -5.528 1.881 1.0 0.97 ? 27 NH2 A HN2 5 27 . A ATOM 2181 N N . GLY A 1 1 ? -13.345 9.776 8.829 1.0 2.35 ? 1 GLY A N 6 1 . A ATOM 2182 C CA . GLY A 1 1 ? -14.485 8.820 8.901 1.0 1.58 ? 1 GLY A CA 6 1 . A ATOM 2183 C C . GLY A 1 1 ? -14.407 7.744 7.836 1.0 1.16 ? 1 GLY A C 6 1 . A ATOM 2184 O O . GLY A 1 1 ? -13.319 7.443 7.330 1.0 1.12 ? 1 GLY A O 6 1 . A ATOM 2185 H H1 . GLY A 1 1 ? -12.445 9.269 8.950 1.0 2.47 ? 1 GLY A H1 6 1 . A ATOM 2186 H H2 . GLY A 1 1 ? -13.430 10.492 9.578 1.0 2.69 ? 1 GLY A H2 6 1 . A ATOM 2187 H H3 . GLY A 1 1 ? -13.339 10.255 7.906 1.0 2.71 ? 1 GLY A H3 6 1 . A ATOM 2188 H HA2 . GLY A 1 1 ? -14.484 8.349 9.873 1.0 1.5 ? 1 GLY A HA2 6 1 . A ATOM 2189 H HA3 . GLY A 1 1 ? -15.408 9.367 8.779 1.0 1.88 ? 1 GLY A HA3 6 1 . A ATOM 2190 N N . ILE A 1 2 ? -15.575 7.180 7.481 1.0 1.2 ? 2 ILE A N 6 2 . A ATOM 2191 C CA . ILE A 1 2 ? -15.672 6.113 6.463 1.0 1.08 ? 2 ILE A CA 6 2 . A ATOM 2192 C C . ILE A 1 2 ? -15.220 6.596 5.075 1.0 1.43 ? 2 ILE A C 6 2 . A ATOM 2193 O O . ILE A 1 2 ? -14.527 5.869 4.353 1.0 2.45 ? 2 ILE A O 6 2 . A ATOM 2194 C CB . ILE A 1 2 ? -17.108 5.507 6.370 1.0 1.15 ? 2 ILE A CB 6 2 . A ATOM 2195 C CG1 . ILE A 1 2 ? -18.207 6.588 6.311 1.0 1.4 ? 2 ILE A CG1 6 2 . A ATOM 2196 C CG2 . ILE A 1 2 ? -17.360 4.570 7.543 1.0 1.45 ? 2 ILE A CG2 6 2 . A ATOM 2197 C CD1 . ILE A 1 2 ? -18.637 6.941 4.903 1.0 1.69 ? 2 ILE A CD1 6 2 . A ATOM 2198 H H . ILE A 1 2 ? -16.397 7.491 7.915 1.0 1.54 ? 2 ILE A H 6 2 . A ATOM 2199 H HA . ILE A 1 2 ? -15.006 5.321 6.774 1.0 1.12 ? 2 ILE A HA 6 2 . A ATOM 2200 H HB . ILE A 1 2 ? -17.155 4.915 5.467 1.0 1.36 ? 2 ILE A HB 6 2 . A ATOM 2201 H HG12 . ILE A 1 2 ? -19.078 6.237 6.843 1.0 1.59 ? 2 ILE A HG12 6 2 . A ATOM 2202 H HG13 . ILE A 1 2 ? -17.842 7.489 6.783 1.0 1.58 ? 2 ILE A HG13 6 2 . A ATOM 2203 H HG21 . ILE A 1 2 ? -18.353 4.153 7.463 1.0 1.73 ? 2 ILE A HG21 6 2 . A ATOM 2204 H HG22 . ILE A 1 2 ? -17.274 5.121 8.468 1.0 1.49 ? 2 ILE A HG22 6 2 . A ATOM 2205 H HG23 . ILE A 1 2 ? -16.633 3.772 7.529 1.0 1.68 ? 2 ILE A HG23 6 2 . A ATOM 2206 H HD11 . ILE A 1 2 ? -19.383 7.720 4.940 1.0 2.05 ? 2 ILE A HD11 6 2 . A ATOM 2207 H HD12 . ILE A 1 2 ? -19.052 6.066 4.425 1.0 1.74 ? 2 ILE A HD12 6 2 . A ATOM 2208 H HD13 . ILE A 1 2 ? -17.782 7.287 4.342 1.0 1.76 ? 2 ILE A HD13 6 2 . A ATOM 2209 N N . GLY A 1 3 ? -15.600 7.838 4.732 1.0 1.01 ? 3 GLY A N 6 3 . A ATOM 2210 C CA . GLY A 1 3 ? -15.236 8.429 3.445 1.0 1.23 ? 3 GLY A CA 6 3 . A ATOM 2211 C C . GLY A 1 3 ? -13.754 8.764 3.341 1.0 0.93 ? 3 GLY A C 6 3 . A ATOM 2212 O O . GLY A 1 3 ? -13.171 8.672 2.258 1.0 1.16 ? 3 GLY A O 6 3 . A ATOM 2213 H H . GLY A 1 3 ? -16.137 8.359 5.364 1.0 1.23 ? 3 GLY A H 6 3 . A ATOM 2214 H HA2 . GLY A 1 3 ? -15.489 7.733 2.660 1.0 1.67 ? 3 GLY A HA2 6 3 . A ATOM 2215 H HA3 . GLY A 1 3 ? -15.808 9.334 3.305 1.0 1.55 ? 3 GLY A HA3 6 3 . A ATOM 2216 N N . ALA A 1 4 ? -13.144 9.133 4.480 1.0 0.96 ? 4 ALA A N 6 4 . A ATOM 2217 C CA . ALA A 1 4 ? -11.719 9.477 4.536 1.0 0.91 ? 4 ALA A CA 6 4 . A ATOM 2218 C C . ALA A 1 4 ? -10.841 8.229 4.396 1.0 0.91 ? 4 ALA A C 6 4 . A ATOM 2219 O O . ALA A 1 4 ? -9.899 8.215 3.592 1.0 1.37 ? 4 ALA A O 6 4 . A ATOM 2220 C CB . ALA A 1 4 ? -11.401 10.216 5.830 1.0 1.32 ? 4 ALA A CB 6 4 . A ATOM 2221 H H . ALA A 1 4 ? -13.671 9.173 5.306 1.0 1.33 ? 4 ALA A H 6 4 . A ATOM 2222 H HA . ALA A 1 4 ? -11.508 10.142 3.710 1.0 1.01 ? 4 ALA A HA 6 4 . A ATOM 2223 H HB1 . ALA A 1 4 ? -11.581 9.563 6.671 1.0 1.53 ? 4 ALA A HB1 6 4 . A ATOM 2224 H HB2 . ALA A 1 4 ? -12.031 11.089 5.910 1.0 1.55 ? 4 ALA A HB2 6 4 . A ATOM 2225 H HB3 . ALA A 1 4 ? -10.364 10.520 5.825 1.0 1.62 ? 4 ALA A HB3 6 4 . A ATOM 2226 N N . VAL A 1 5 ? -11.179 7.171 5.161 1.0 0.84 ? 5 VAL A N 6 5 . A ATOM 2227 C CA . VAL A 1 5 ? -10.431 5.898 5.122 1.0 0.86 ? 5 VAL A CA 6 5 . A ATOM 2228 C C . VAL A 1 5 ? -10.577 5.198 3.763 1.0 0.72 ? 5 VAL A C 6 5 . A ATOM 2229 O O . VAL A 1 5 ? -9.625 4.588 3.268 1.0 0.86 ? 5 VAL A O 6 5 . A ATOM 2230 C CB . VAL A 1 5 ? -10.838 4.918 6.265 1.0 1.06 ? 5 VAL A CB 6 5 . A ATOM 2231 C CG1 . VAL A 1 5 ? -10.262 5.385 7.594 1.0 1.28 ? 5 VAL A CG1 6 5 . A ATOM 2232 C CG2 . VAL A 1 5 ? -12.355 4.748 6.377 1.0 1.11 ? 5 VAL A CG2 6 5 . A ATOM 2233 H H . VAL A 1 5 ? -11.949 7.248 5.763 1.0 1.11 ? 5 VAL A H 6 5 . A ATOM 2234 H HA . VAL A 1 5 ? -9.387 6.143 5.259 1.0 0.96 ? 5 VAL A HA 6 5 . A ATOM 2235 H HB . VAL A 1 5 ? -10.408 3.951 6.042 1.0 1.11 ? 5 VAL A HB 6 5 . A ATOM 2236 H HG11 . VAL A 1 5 ? -10.538 4.688 8.371 1.0 1.45 ? 5 VAL A HG11 6 5 . A ATOM 2237 H HG12 . VAL A 1 5 ? -10.655 6.363 7.833 1.0 1.25 ? 5 VAL A HG12 6 5 . A ATOM 2238 H HG13 . VAL A 1 5 ? -9.186 5.438 7.523 1.0 1.33 ? 5 VAL A HG13 6 5 . A ATOM 2239 H HG21 . VAL A 1 5 ? -12.747 4.384 5.439 1.0 1.32 ? 5 VAL A HG21 6 5 . A ATOM 2240 H HG22 . VAL A 1 5 ? -12.804 5.701 6.611 1.0 1.19 ? 5 VAL A HG22 6 5 . A ATOM 2241 H HG23 . VAL A 1 5 ? -12.581 4.041 7.162 1.0 1.46 ? 5 VAL A HG23 6 5 . A ATOM 2242 N N . LEU A 1 6 ? -11.776 5.313 3.163 1.0 0.63 ? 6 LEU A N 6 6 . A ATOM 2243 C CA . LEU A 1 6 ? -12.062 4.715 1.851 1.0 0.66 ? 6 LEU A CA 6 6 . A ATOM 2244 C C . LEU A 1 6 ? -11.360 5.478 0.722 1.0 0.68 ? 6 LEU A C 6 6 . A ATOM 2245 O O . LEU A 1 6 ? -10.952 4.876 -0.276 1.0 1.05 ? 6 LEU A O 6 6 . A ATOM 2246 C CB . LEU A 1 6 ? -13.575 4.680 1.592 1.0 0.8 ? 6 LEU A CB 6 6 . A ATOM 2247 C CG . LEU A 1 6 ? -14.331 3.502 2.224 1.0 0.91 ? 6 LEU A CG 6 6 . A ATOM 2248 C CD1 . LEU A 1 6 ? -15.792 3.864 2.439 1.0 1.08 ? 6 LEU A CD1 6 6 . A ATOM 2249 C CD2 . LEU A 1 6 ? -14.222 2.255 1.352 1.0 1.13 ? 6 LEU A CD2 6 6 . A ATOM 2250 H H . LEU A 1 6 ? -12.485 5.815 3.618 1.0 0.71 ? 6 LEU A H 6 6 . A ATOM 2251 H HA . LEU A 1 6 ? -11.689 3.702 1.866 1.0 0.75 ? 6 LEU A HA 6 6 . A ATOM 2252 H HB2 . LEU A 1 6 ? -14.003 5.597 1.970 1.0 0.88 ? 6 LEU A HB2 6 6 . A ATOM 2253 H HB3 . LEU A 1 6 ? -13.733 4.645 0.524 1.0 0.89 ? 6 LEU A HB3 6 6 . A ATOM 2254 H HG . LEU A 1 6 ? -13.896 3.278 3.188 1.0 1.1 ? 6 LEU A HG 6 6 . A ATOM 2255 H HD11 . LEU A 1 6 ? -16.316 3.016 2.854 1.0 1.22 ? 6 LEU A HD11 6 6 . A ATOM 2256 H HD12 . LEU A 1 6 ? -16.239 4.136 1.494 1.0 1.49 ? 6 LEU A HD12 6 6 . A ATOM 2257 H HD13 . LEU A 1 6 ? -15.860 4.698 3.122 1.0 1.18 ? 6 LEU A HD13 6 6 . A ATOM 2258 H HD21 . LEU A 1 6 ? -14.633 2.461 0.375 1.0 1.24 ? 6 LEU A HD21 6 6 . A ATOM 2259 H HD22 . LEU A 1 6 ? -14.772 1.446 1.810 1.0 1.27 ? 6 LEU A HD22 6 6 . A ATOM 2260 H HD23 . LEU A 1 6 ? -13.184 1.973 1.254 1.0 1.31 ? 6 LEU A HD23 6 6 . A ATOM 2261 N N . LYS A 1 7 ? -11.209 6.803 0.902 1.0 0.57 ? 7 LYS A N 6 7 . A ATOM 2262 C CA . LYS A 1 7 ? -10.547 7.666 -0.089 1.0 0.64 ? 7 LYS A CA 6 7 . A ATOM 2263 C C . LYS A 1 7 ? -9.028 7.462 -0.099 1.0 0.66 ? 7 LYS A C 6 7 . A ATOM 2264 O O . LYS A 1 7 ? -8.395 7.573 -1.154 1.0 0.74 ? 7 LYS A O 6 7 . A ATOM 2265 C CB . LYS A 1 7 ? -10.868 9.138 0.180 1.0 0.73 ? 7 LYS A CB 6 7 . A ATOM 2266 C CG . LYS A 1 7 ? -12.183 9.597 -0.428 1.0 1.05 ? 7 LYS A CG 6 7 . A ATOM 2267 C CD . LYS A 1 7 ? -12.445 11.067 -0.140 1.0 1.19 ? 7 LYS A CD 6 7 . A ATOM 2268 C CE . LYS A 1 7 ? -13.755 11.531 -0.756 1.0 1.59 ? 7 LYS A CE 6 7 . A ATOM 2269 N NZ . LYS A 1 7 ? -14.032 12.963 -0.456 1.0 1.52 1 7 LYS A NZ 6 7 . A ATOM 2270 H H . LYS A 1 7 ? -11.553 7.209 1.725 1.0 0.69 ? 7 LYS A H 6 7 . A ATOM 2271 H HA . LYS A 1 7 ? -10.934 7.400 -1.061 1.0 0.7 ? 7 LYS A HA 6 7 . A ATOM 2272 H HB2 . LYS A 1 7 ? -10.916 9.294 1.248 1.0 0.78 ? 7 LYS A HB2 6 7 . A ATOM 2273 H HB3 . LYS A 1 7 ? -10.075 9.747 -0.228 1.0 0.92 ? 7 LYS A HB3 6 7 . A ATOM 2274 H HG2 . LYS A 1 7 ? -12.145 9.452 -1.497 1.0 1.52 ? 7 LYS A HG2 6 7 . A ATOM 2275 H HG3 . LYS A 1 7 ? -12.987 9.009 -0.010 1.0 1.25 ? 7 LYS A HG3 6 7 . A ATOM 2276 H HD2 . LYS A 1 7 ? -12.491 11.212 0.929 1.0 1.19 ? 7 LYS A HD2 6 7 . A ATOM 2277 H HD3 . LYS A 1 7 ? -11.636 11.654 -0.550 1.0 1.49 ? 7 LYS A HD3 6 7 . A ATOM 2278 H HE2 . LYS A 1 7 ? -13.700 11.401 -1.826 1.0 1.94 ? 7 LYS A HE2 6 7 . A ATOM 2279 H HE3 . LYS A 1 7 ? -14.558 10.927 -0.361 1.0 2.19 ? 7 LYS A HE3 6 7 . A ATOM 2280 H HZ1 . LYS A 1 7 ? -13.286 13.564 -0.862 1.0 2.02 ? 7 LYS A HZ1 6 7 . A ATOM 2281 H HZ2 . LYS A 1 7 ? -14.061 13.114 0.572 1.0 1.72 ? 7 LYS A HZ2 6 7 . A ATOM 2282 H HZ3 . LYS A 1 7 ? -14.948 13.242 -0.863 1.0 1.75 ? 7 LYS A HZ3 6 7 . A ATOM 2283 N N . VAL A 1 8 ? -8.452 7.165 1.076 1.0 0.65 ? 8 VAL A N 6 8 . A ATOM 2284 C CA . VAL A 1 8 ? -7.000 6.934 1.192 1.0 0.75 ? 8 VAL A CA 6 8 . A ATOM 2285 C C . VAL A 1 8 ? -6.634 5.450 0.996 1.0 0.73 ? 8 VAL A C 6 8 . A ATOM 2286 O O . VAL A 1 8 ? -5.451 5.113 0.882 1.0 1.09 ? 8 VAL A O 6 8 . A ATOM 2287 C CB . VAL A 1 8 ? -6.408 7.445 2.542 1.0 0.88 ? 8 VAL A CB 6 8 . A ATOM 2288 C CG1 . VAL A 1 8 ? -6.343 8.965 2.554 1.0 0.99 ? 8 VAL A CG1 6 8 . A ATOM 2289 C CG2 . VAL A 1 8 ? -7.190 6.940 3.757 1.0 0.86 ? 8 VAL A CG2 6 8 . A ATOM 2290 H H . VAL A 1 8 ? -9.010 7.101 1.879 1.0 0.62 ? 8 VAL A H 6 8 . A ATOM 2291 H HA . VAL A 1 8 ? -6.530 7.497 0.397 1.0 0.81 ? 8 VAL A HA 6 8 . A ATOM 2292 H HB . VAL A 1 8 ? -5.395 7.073 2.619 1.0 0.96 ? 8 VAL A HB 6 8 . A ATOM 2293 H HG11 . VAL A 1 8 ? -5.935 9.300 3.496 1.0 1.09 ? 8 VAL A HG11 6 8 . A ATOM 2294 H HG12 . VAL A 1 8 ? -7.337 9.369 2.429 1.0 0.94 ? 8 VAL A HG12 6 8 . A ATOM 2295 H HG13 . VAL A 1 8 ? -5.712 9.306 1.746 1.0 1.05 ? 8 VAL A HG13 6 8 . A ATOM 2296 H HG21 . VAL A 1 8 ? -7.242 5.861 3.729 1.0 1.28 ? 8 VAL A HG21 6 8 . A ATOM 2297 H HG22 . VAL A 1 8 ? -8.189 7.350 3.735 1.0 1.02 ? 8 VAL A HG22 6 8 . A ATOM 2298 H HG23 . VAL A 1 8 ? -6.691 7.253 4.662 1.0 1.3 ? 8 VAL A HG23 6 8 . A ATOM 2299 N N . LEU A 1 9 ? -7.653 4.579 0.958 1.0 0.61 ? 9 LEU A N 6 9 . A ATOM 2300 C CA . LEU A 1 9 ? -7.442 3.139 0.777 1.0 0.66 ? 9 LEU A CA 6 9 . A ATOM 2301 C C . LEU A 1 9 ? -7.674 2.710 -0.678 1.0 0.63 ? 9 LEU A C 6 9 . A ATOM 2302 O O . LEU A 1 9 ? -7.097 1.716 -1.129 1.0 0.8 ? 9 LEU A O 6 9 . A ATOM 2303 C CB . LEU A 1 9 ? -8.367 2.343 1.712 1.0 0.82 ? 9 LEU A CB 6 9 . A ATOM 2304 C CG . LEU A 1 9 ? -7.897 0.925 2.073 1.0 0.99 ? 9 LEU A CG 6 9 . A ATOM 2305 C CD1 . LEU A 1 9 ? -6.905 0.954 3.230 1.0 1.17 ? 9 LEU A CD1 6 9 . A ATOM 2306 C CD2 . LEU A 1 9 ? -9.089 0.043 2.416 1.0 1.19 ? 9 LEU A CD2 6 9 . A ATOM 2307 H H . LEU A 1 9 ? -8.568 4.916 1.054 1.0 0.78 ? 9 LEU A H 6 9 . A ATOM 2308 H HA . LEU A 1 9 ? -6.417 2.923 1.039 1.0 0.73 ? 9 LEU A HA 6 9 . A ATOM 2309 H HB2 . LEU A 1 9 ? -8.480 2.904 2.628 1.0 0.84 ? 9 LEU A HB2 6 9 . A ATOM 2310 H HB3 . LEU A 1 9 ? -9.336 2.266 1.239 1.0 0.9 ? 9 LEU A HB3 6 9 . A ATOM 2311 H HG . LEU A 1 9 ? -7.397 0.492 1.218 1.0 1.16 ? 9 LEU A HG 6 9 . A ATOM 2312 H HD11 . LEU A 1 9 ? -6.616 -0.055 3.483 1.0 1.48 ? 9 LEU A HD11 6 9 . A ATOM 2313 H HD12 . LEU A 1 9 ? -7.365 1.423 4.087 1.0 1.24 ? 9 LEU A HD12 6 9 . A ATOM 2314 H HD13 . LEU A 1 9 ? -6.029 1.516 2.939 1.0 1.43 ? 9 LEU A HD13 6 9 . A ATOM 2315 H HD21 . LEU A 1 9 ? -9.627 0.472 3.248 1.0 1.29 ? 9 LEU A HD21 6 9 . A ATOM 2316 H HD22 . LEU A 1 9 ? -8.742 -0.944 2.682 1.0 1.33 ? 9 LEU A HD22 6 9 . A ATOM 2317 H HD23 . LEU A 1 9 ? -9.745 -0.025 1.560 1.0 1.33 ? 9 LEU A HD23 6 9 . A ATOM 2318 N N . THR A 1 10 ? -8.517 3.462 -1.404 1.0 0.58 ? 10 THR A N 6 10 . A ATOM 2319 C CA . THR A 1 10 ? -8.830 3.154 -2.811 1.0 0.7 ? 10 THR A CA 6 10 . A ATOM 2320 C C . THR A 1 10 ? -7.789 3.732 -3.782 1.0 0.7 ? 10 THR A C 6 10 . A ATOM 2321 O O . THR A 1 10 ? -7.834 3.447 -4.983 1.0 0.88 ? 10 THR A O 6 10 . A ATOM 2322 C CB . THR A 1 10 ? -10.226 3.680 -3.214 1.0 0.82 ? 10 THR A CB 6 10 . A ATOM 2323 O OG1 . THR A 1 10 ? -10.359 5.059 -2.850 1.0 0.97 ? 10 THR A OG1 6 10 . A ATOM 2324 C CG2 . THR A 1 10 ? -11.334 2.864 -2.557 1.0 1.05 ? 10 THR A CG2 6 10 . A ATOM 2325 H H . THR A 1 10 ? -8.938 4.242 -0.985 1.0 0.61 ? 10 THR A H 6 10 . A ATOM 2326 H HA . THR A 1 10 ? -8.836 2.079 -2.915 1.0 0.8 ? 10 THR A HA 6 10 . A ATOM 2327 H HB . THR A 1 10 ? -10.327 3.592 -4.286 1.0 0.97 ? 10 THR A HB 6 10 . A ATOM 2328 H HG1 . THR A 1 10 ? -10.709 5.555 -3.594 1.0 1.15 ? 10 THR A HG1 6 10 . A ATOM 2329 H HG21 . THR A 1 10 ? -12.295 3.254 -2.857 1.0 1.35 ? 10 THR A HG21 6 10 . A ATOM 2330 H HG22 . THR A 1 10 ? -11.239 2.927 -1.483 1.0 1.45 ? 10 THR A HG22 6 10 . A ATOM 2331 H HG23 . THR A 1 10 ? -11.252 1.832 -2.866 1.0 1.46 ? 10 THR A HG23 6 10 . A ATOM 2332 N N . THR A 1 11 ? -6.855 4.534 -3.254 1.0 0.59 ? 11 THR A N 6 11 . A ATOM 2333 C CA . THR A 1 11 ? -5.808 5.156 -4.070 1.0 0.7 ? 11 THR A CA 6 11 . A ATOM 2334 C C . THR A 1 11 ? -4.466 4.441 -3.910 1.0 0.8 ? 11 THR A C 6 11 . A ATOM 2335 O O . THR A 1 11 ? -3.787 4.162 -4.903 1.0 1.51 ? 11 THR A O 6 11 . A ATOM 2336 C CB . THR A 1 11 ? -5.627 6.651 -3.727 1.0 0.65 ? 11 THR A CB 6 11 . A ATOM 2337 O OG1 . THR A 1 11 ? -5.545 6.826 -2.308 1.0 0.51 ? 11 THR A OG1 6 11 . A ATOM 2338 C CG2 . THR A 1 11 ? -6.775 7.485 -4.283 1.0 0.76 ? 11 THR A CG2 6 11 . A ATOM 2339 H H . THR A 1 11 ? -6.872 4.711 -2.290 1.0 0.51 ? 11 THR A H 6 11 . A ATOM 2340 H HA . THR A 1 11 ? -6.114 5.085 -5.104 1.0 0.88 ? 11 THR A HA 6 11 . A ATOM 2341 H HB . THR A 1 11 ? -4.706 6.996 -4.175 1.0 0.76 ? 11 THR A HB 6 11 . A ATOM 2342 H HG1 . THR A 1 11 ? -5.894 7.689 -2.071 1.0 0.97 ? 11 THR A HG1 6 11 . A ATOM 2343 H HG21 . THR A 1 11 ? -6.624 8.523 -4.026 1.0 1.28 ? 11 THR A HG21 6 11 . A ATOM 2344 H HG22 . THR A 1 11 ? -7.707 7.141 -3.859 1.0 1.01 ? 11 THR A HG22 6 11 . A ATOM 2345 H HG23 . THR A 1 11 ? -6.808 7.381 -5.357 1.0 1.16 ? 11 THR A HG23 6 11 . A ATOM 2346 N N . GLY A 1 12 ? -4.093 4.147 -2.656 1.0 0.88 ? 12 GLY A N 6 12 . A ATOM 2347 C CA . GLY A 1 12 ? -2.832 3.471 -2.378 1.0 0.94 ? 12 GLY A CA 6 12 . A ATOM 2348 C C . GLY A 1 12 ? -2.998 1.978 -2.165 1.0 0.89 ? 12 GLY A C 6 12 . A ATOM 2349 O O . GLY A 1 12 ? -3.528 1.550 -1.135 1.0 0.98 ? 12 GLY A O 6 12 . A ATOM 2350 H H . GLY A 1 12 ? -4.684 4.393 -1.914 1.0 1.39 ? 12 GLY A H 6 12 . A ATOM 2351 H HA2 . GLY A 1 12 ? -2.161 3.630 -3.209 1.0 1.07 ? 12 GLY A HA2 6 12 . A ATOM 2352 H HA3 . GLY A 1 12 ? -2.394 3.903 -1.490 1.0 0.97 ? 12 GLY A HA3 6 12 . A ATOM 2353 N N . LEU A 1 13 ? -2.541 1.190 -3.147 1.0 0.8 ? 13 LEU A N 6 13 . A ATOM 2354 C CA . LEU A 1 13 ? -2.625 -0.273 -3.084 1.0 0.75 ? 13 LEU A CA 6 13 . A ATOM 2355 C C . LEU A 1 13 ? -1.314 -0.943 -3.551 1.0 0.67 ? 13 LEU A C 6 13 . A ATOM 2356 O O . LEU A 1 13 ? -0.836 -1.853 -2.868 1.0 0.63 ? 13 LEU A O 6 13 . A ATOM 2357 C CB . LEU A 1 13 ? -3.812 -0.793 -3.917 1.0 0.84 ? 13 LEU A CB 6 13 . A ATOM 2358 C CG . LEU A 1 13 ? -4.467 -2.082 -3.400 1.0 0.93 ? 13 LEU A CG 6 13 . A ATOM 2359 C CD1 . LEU A 1 13 ? -5.512 -1.774 -2.334 1.0 1.5 ? 13 LEU A CD1 6 13 . A ATOM 2360 C CD2 . LEU A 1 13 ? -5.092 -2.859 -4.549 1.0 1.2 ? 13 LEU A CD2 6 13 . A ATOM 2361 H H . LEU A 1 13 ? -2.135 1.606 -3.936 1.0 0.8 ? 13 LEU A H 6 13 . A ATOM 2362 H HA . LEU A 1 13 ? -2.790 -0.539 -2.050 1.0 0.77 ? 13 LEU A HA 6 13 . A ATOM 2363 H HB2 . LEU A 1 13 ? -4.567 -0.020 -3.951 1.0 1.04 ? 13 LEU A HB2 6 13 . A ATOM 2364 H HB3 . LEU A 1 13 ? -3.466 -0.976 -4.923 1.0 0.87 ? 13 LEU A HB3 6 13 . A ATOM 2365 H HG . LEU A 1 13 ? -3.708 -2.705 -2.949 1.0 1.14 ? 13 LEU A HG 6 13 . A ATOM 2366 H HD11 . LEU A 1 13 ? -5.966 -2.694 -1.998 1.0 1.65 ? 13 LEU A HD11 6 13 . A ATOM 2367 H HD12 . LEU A 1 13 ? -6.271 -1.129 -2.750 1.0 1.79 ? 13 LEU A HD12 6 13 . A ATOM 2368 H HD13 . LEU A 1 13 ? -5.038 -1.280 -1.498 1.0 1.82 ? 13 LEU A HD13 6 13 . A ATOM 2369 H HD21 . LEU A 1 13 ? -5.834 -2.245 -5.037 1.0 1.54 ? 13 LEU A HD21 6 13 . A ATOM 2370 H HD22 . LEU A 1 13 ? -5.561 -3.753 -4.165 1.0 1.48 ? 13 LEU A HD22 6 13 . A ATOM 2371 H HD23 . LEU A 1 13 ? -4.325 -3.131 -5.259 1.0 1.47 ? 13 LEU A HD23 6 13 . A ATOM 2372 N N . PRO A 1 14 ? -0.694 -0.525 -4.712 1.0 0.71 ? 14 PRO A N 6 14 . A ATOM 2373 C CA . PRO A 1 14 ? 0.557 -1.137 -5.210 1.0 0.73 ? 14 PRO A CA 6 14 . A ATOM 2374 C C . PRO A 1 14 ? 1.816 -0.644 -4.482 1.0 0.75 ? 14 PRO A C 6 14 . A ATOM 2375 O O . PRO A 1 14 ? 2.897 -1.217 -4.653 1.0 0.92 ? 14 PRO A O 6 14 . A ATOM 2376 C CB . PRO A 1 14 ? 0.609 -0.717 -6.691 1.0 0.85 ? 14 PRO A CB 6 14 . A ATOM 2377 C CG . PRO A 1 14 ? -0.666 0.018 -6.964 1.0 0.91 ? 14 PRO A CG 6 14 . A ATOM 2378 C CD . PRO A 1 14 ? -1.132 0.541 -5.640 1.0 0.81 ? 14 PRO A CD 6 14 . A ATOM 2379 H HA . PRO A 1 14 ? 0.514 -2.215 -5.145 1.0 0.7 ? 14 PRO A HA 6 14 . A ATOM 2380 H HB2 . PRO A 1 14 ? 1.466 -0.075 -6.855 1.0 0.9 ? 14 PRO A HB2 6 14 . A ATOM 2381 H HB3 . PRO A 1 14 ? 0.676 -1.590 -7.322 1.0 0.93 ? 14 PRO A HB3 6 14 . A ATOM 2382 H HG2 . PRO A 1 14 ? -0.481 0.833 -7.651 1.0 1.08 ? 14 PRO A HG2 6 14 . A ATOM 2383 H HG3 . PRO A 1 14 ? -1.402 -0.658 -7.372 1.0 1.01 ? 14 PRO A HG3 6 14 . A ATOM 2384 H HD2 . PRO A 1 14 ? -0.647 1.480 -5.412 1.0 0.9 ? 14 PRO A HD2 6 14 . A ATOM 2385 H HD3 . PRO A 1 14 ? -2.204 0.653 -5.629 1.0 0.84 ? 14 PRO A HD3 6 14 . A ATOM 2386 N N . ALA A 1 15 ? 1.665 0.415 -3.667 1.0 0.67 ? 15 ALA A N 6 15 . A ATOM 2387 C CA . ALA A 1 15 ? 2.784 0.996 -2.910 1.0 0.73 ? 15 ALA A CA 6 15 . A ATOM 2388 C C . ALA A 1 15 ? 3.219 0.094 -1.750 1.0 0.73 ? 15 ALA A C 6 15 . A ATOM 2389 O O . ALA A 1 15 ? 4.418 -0.088 -1.516 1.0 0.88 ? 15 ALA A O 6 15 . A ATOM 2390 C CB . ALA A 1 15 ? 2.408 2.380 -2.396 1.0 0.8 ? 15 ALA A CB 6 15 . A ATOM 2391 H H . ALA A 1 15 ? 0.775 0.815 -3.575 1.0 0.63 ? 15 ALA A H 6 15 . A ATOM 2392 H HA . ALA A 1 15 ? 3.616 1.109 -3.590 1.0 0.77 ? 15 ALA A HA 6 15 . A ATOM 2393 H HB1 . ALA A 1 15 ? 2.100 3.000 -3.225 1.0 0.79 ? 15 ALA A HB1 6 15 . A ATOM 2394 H HB2 . ALA A 1 15 ? 3.263 2.827 -1.911 1.0 0.92 ? 15 ALA A HB2 6 15 . A ATOM 2395 H HB3 . ALA A 1 15 ? 1.597 2.293 -1.689 1.0 0.78 ? 15 ALA A HB3 6 15 . A ATOM 2396 N N . LEU A 1 16 ? 2.234 -0.481 -1.041 1.0 0.64 ? 16 LEU A N 6 16 . A ATOM 2397 C CA . LEU A 1 16 ? 2.496 -1.380 0.094 1.0 0.67 ? 16 LEU A CA 6 16 . A ATOM 2398 C C . LEU A 1 16 ? 3.053 -2.727 -0.381 1.0 0.63 ? 16 LEU A C 6 16 . A ATOM 2399 O O . LEU A 1 16 ? 3.917 -3.315 0.278 1.0 0.76 ? 16 LEU A O 6 16 . A ATOM 2400 C CB . LEU A 1 16 ? 1.213 -1.605 0.908 1.0 0.75 ? 16 LEU A CB 6 16 . A ATOM 2401 C CG . LEU A 1 16 ? 0.690 -0.383 1.677 1.0 0.96 ? 16 LEU A CG 6 16 . A ATOM 2402 C CD1 . LEU A 1 16 ? -0.214 0.471 0.795 1.0 1.2 ? 16 LEU A CD1 6 16 . A ATOM 2403 C CD2 . LEU A 1 16 ? -0.052 -0.823 2.930 1.0 1.23 ? 16 LEU A CD2 6 16 . A ATOM 2404 H H . LEU A 1 16 ? 1.304 -0.296 -1.290 1.0 0.63 ? 16 LEU A H 6 16 . A ATOM 2405 H HA . LEU A 1 16 ? 3.232 -0.905 0.726 1.0 0.72 ? 16 LEU A HA 6 16 . A ATOM 2406 H HB2 . LEU A 1 16 ? 0.439 -1.934 0.231 1.0 0.81 ? 16 LEU A HB2 6 16 . A ATOM 2407 H HB3 . LEU A 1 16 ? 1.401 -2.394 1.620 1.0 0.95 ? 16 LEU A HB3 6 16 . A ATOM 2408 H HG . LEU A 1 16 ? 1.528 0.226 1.982 1.0 1.21 ? 16 LEU A HG 6 16 . A ATOM 2409 H HD11 . LEU A 1 16 ? -0.584 1.311 1.366 1.0 1.66 ? 16 LEU A HD11 6 16 . A ATOM 2410 H HD12 . LEU A 1 16 ? -1.046 -0.123 0.449 1.0 1.38 ? 16 LEU A HD12 6 16 . A ATOM 2411 H HD13 . LEU A 1 16 ? 0.348 0.832 -0.054 1.0 1.32 ? 16 LEU A HD13 6 16 . A ATOM 2412 H HD21 . LEU A 1 16 ? -0.880 -1.459 2.654 1.0 1.24 ? 16 LEU A HD21 6 16 . A ATOM 2413 H HD22 . LEU A 1 16 ? -0.424 0.046 3.453 1.0 1.49 ? 16 LEU A HD22 6 16 . A ATOM 2414 H HD23 . LEU A 1 16 ? 0.622 -1.369 3.575 1.0 1.81 ? 16 LEU A HD23 6 16 . A ATOM 2415 N N . ILE A 1 17 ? 2.561 -3.187 -1.545 1.0 0.53 ? 17 ILE A N 6 17 . A ATOM 2416 C CA . ILE A 1 17 ? 2.990 -4.460 -2.153 1.0 0.52 ? 17 ILE A CA 6 17 . A ATOM 2417 C C . ILE A 1 17 ? 4.429 -4.346 -2.692 1.0 0.53 ? 17 ILE A C 6 17 . A ATOM 2418 O O . ILE A 1 17 ? 5.228 -5.281 -2.554 1.0 0.63 ? 17 ILE A O 6 17 . A ATOM 2419 C CB . ILE A 1 17 ? 2.030 -4.908 -3.311 1.0 0.54 ? 17 ILE A CB 6 17 . A ATOM 2420 C CG1 . ILE A 1 17 ? 0.527 -4.654 -2.976 1.0 0.6 ? 17 ILE A CG1 6 17 . A ATOM 2421 C CG2 . ILE A 1 17 ? 2.257 -6.380 -3.686 1.0 0.58 ? 17 ILE A CG2 6 17 . A ATOM 2422 C CD1 . ILE A 1 17 ? 0.007 -5.292 -1.687 1.0 0.64 ? 17 ILE A CD1 6 17 . A ATOM 2423 H H . ILE A 1 17 ? 1.886 -2.651 -2.012 1.0 0.54 ? 17 ILE A H 6 17 . A ATOM 2424 H HA . ILE A 1 17 ? 2.966 -5.217 -1.382 1.0 0.55 ? 17 ILE A HA 6 17 . A ATOM 2425 H HB . ILE A 1 17 ? 2.287 -4.319 -4.180 1.0 0.55 ? 17 ILE A HB 6 17 . A ATOM 2426 H HG12 . ILE A 1 17 ? 0.368 -3.590 -2.892 1.0 0.61 ? 17 ILE A HG12 6 17 . A ATOM 2427 H HG13 . ILE A 1 17 ? -0.074 -5.029 -3.793 1.0 0.64 ? 17 ILE A HG13 6 17 . A ATOM 2428 H HG21 . ILE A 1 17 ? 1.560 -6.666 -4.461 1.0 1.05 ? 17 ILE A HG21 6 17 . A ATOM 2429 H HG22 . ILE A 1 17 ? 2.103 -7.002 -2.817 1.0 1.42 ? 17 ILE A HG22 6 17 . A ATOM 2430 H HG23 . ILE A 1 17 ? 3.267 -6.507 -4.046 1.0 1.01 ? 17 ILE A HG23 6 17 . A ATOM 2431 H HD11 . ILE A 1 17 ? 0.117 -6.364 -1.748 1.0 1.2 ? 17 ILE A HD11 6 17 . A ATOM 2432 H HD12 . ILE A 1 17 ? -1.036 -5.043 -1.558 1.0 1.2 ? 17 ILE A HD12 6 17 . A ATOM 2433 H HD13 . ILE A 1 17 ? 0.573 -4.918 -0.847 1.0 1.23 ? 17 ILE A HD13 6 17 . A ATOM 2434 N N . SER A 1 18 ? 4.745 -3.184 -3.290 1.0 0.53 ? 18 SER A N 6 18 . A ATOM 2435 C CA . SER A 1 18 ? 6.080 -2.917 -3.846 1.0 0.6 ? 18 SER A CA 6 18 . A ATOM 2436 C C . SER A 1 18 ? 7.115 -2.688 -2.738 1.0 0.59 ? 18 SER A C 6 18 . A ATOM 2437 O O . SER A 1 18 ? 8.293 -3.024 -2.902 1.0 0.88 ? 18 SER A O 6 18 . A ATOM 2438 C CB . SER A 1 18 ? 6.035 -1.701 -4.773 1.0 0.73 ? 18 SER A CB 6 18 . A ATOM 2439 O OG . SER A 1 18 ? 5.189 -1.937 -5.885 1.0 0.8 ? 18 SER A OG 6 18 . A ATOM 2440 H H . SER A 1 18 ? 4.059 -2.488 -3.358 1.0 0.57 ? 18 SER A H 6 18 . A ATOM 2441 H HA . SER A 1 18 ? 6.376 -3.783 -4.421 1.0 0.63 ? 18 SER A HA 6 18 . A ATOM 2442 H HB2 . SER A 1 18 ? 5.660 -0.849 -4.227 1.0 0.74 ? 18 SER A HB2 6 18 . A ATOM 2443 H HB3 . SER A 1 18 ? 7.031 -1.488 -5.133 1.0 0.81 ? 18 SER A HB3 6 18 . A ATOM 2444 H HG . SER A 1 18 ? 4.955 -2.867 -5.920 1.0 1.1 ? 18 SER A HG 6 18 . A ATOM 2445 N N . TRP A 1 19 ? 6.656 -2.127 -1.606 1.0 0.49 ? 19 TRP A N 6 19 . A ATOM 2446 C CA . TRP A 1 19 ? 7.523 -1.856 -0.450 1.0 0.54 ? 19 TRP A CA 6 19 . A ATOM 2447 C C . TRP A 1 19 ? 7.862 -3.144 0.309 1.0 0.5 ? 19 TRP A C 6 19 . A ATOM 2448 O O . TRP A 1 19 ? 8.993 -3.310 0.780 1.0 0.59 ? 19 TRP A O 6 19 . A ATOM 2449 C CB . TRP A 1 19 ? 6.857 -0.848 0.491 1.0 0.68 ? 19 TRP A CB 6 19 . A ATOM 2450 C CG . TRP A 1 19 ? 7.286 0.573 0.247 1.0 0.62 ? 19 TRP A CG 6 19 . A ATOM 2451 C CD1 . TRP A 1 19 ? 6.871 1.400 -0.760 1.0 0.96 ? 19 TRP A CD1 6 19 . A ATOM 2452 C CD2 . TRP A 1 19 ? 8.215 1.341 1.019 1.0 0.63 ? 19 TRP A CD2 6 19 . A ATOM 2453 N NE1 . TRP A 1 19 ? 7.491 2.629 -0.659 1.0 1.09 ? 19 TRP A NE1 6 19 . A ATOM 2454 C CE2 . TRP A 1 19 ? 8.323 2.631 0.433 1.0 0.9 ? 19 TRP A CE2 6 19 . A ATOM 2455 C CE3 . TRP A 1 19 ? 8.996 1.093 2.172 1.0 0.84 ? 19 TRP A CE3 6 19 . A ATOM 2456 C CZ2 . TRP A 1 19 ? 9.147 3.663 0.925 1.0 1.16 ? 19 TRP A CZ2 6 19 . A ATOM 2457 C CZ3 . TRP A 1 19 ? 9.822 2.091 2.672 1.0 1.15 ? 19 TRP A CZ3 6 19 . A ATOM 2458 C CH2 . TRP A 1 19 ? 9.905 3.380 2.060 1.0 1.24 ? 19 TRP A CH2 6 19 . A ATOM 2459 H H . TRP A 1 19 ? 5.707 -1.889 -1.549 1.0 0.6 ? 19 TRP A H 6 19 . A ATOM 2460 H HA . TRP A 1 19 ? 8.441 -1.428 -0.825 1.0 0.59 ? 19 TRP A HA 6 19 . A ATOM 2461 H HB2 . TRP A 1 19 ? 5.786 -0.899 0.362 1.0 0.97 ? 19 TRP A HB2 6 19 . A ATOM 2462 H HB3 . TRP A 1 19 ? 7.105 -1.101 1.511 1.0 0.79 ? 19 TRP A HB3 6 19 . A ATOM 2463 H HD1 . TRP A 1 19 ? 6.164 1.116 -1.525 1.0 1.22 ? 19 TRP A HD1 6 19 . A ATOM 2464 H HE1 . TRP A 1 19 ? 7.355 3.387 -1.265 1.0 1.4 ? 19 TRP A HE1 6 19 . A ATOM 2465 H HE3 . TRP A 1 19 ? 8.963 0.126 2.651 1.0 0.96 ? 19 TRP A HE3 6 19 . A ATOM 2466 H HZ2 . TRP A 1 19 ? 9.202 4.624 0.435 1.0 1.42 ? 19 TRP A HZ2 6 19 . A ATOM 2467 H HZ3 . TRP A 1 19 ? 10.410 1.892 3.555 1.0 1.44 ? 19 TRP A HZ3 6 19 . A ATOM 2468 H HH2 . TRP A 1 19 ? 10.551 4.136 2.480 1.0 1.52 ? 19 TRP A HH2 6 19 . A ATOM 2469 N N . ILE A 1 20 ? 6.878 -4.059 0.408 1.0 0.52 ? 20 ILE A N 6 20 . A ATOM 2470 C CA . ILE A 1 20 ? 7.074 -5.349 1.097 1.0 0.56 ? 20 ILE A CA 6 20 . A ATOM 2471 C C . ILE A 1 20 ? 7.901 -6.321 0.239 1.0 0.59 ? 20 ILE A C 6 20 . A ATOM 2472 O O . ILE A 1 20 ? 8.677 -7.118 0.772 1.0 0.75 ? 20 ILE A O 6 20 . A ATOM 2473 C CB . ILE A 1 20 ? 5.732 -6.027 1.521 1.0 0.71 ? 20 ILE A CB 6 20 . A ATOM 2474 C CG1 . ILE A 1 20 ? 4.760 -6.197 0.339 1.0 0.93 ? 20 ILE A CG1 6 20 . A ATOM 2475 C CG2 . ILE A 1 20 ? 5.066 -5.239 2.642 1.0 1.12 ? 20 ILE A CG2 6 20 . A ATOM 2476 C CD1 . ILE A 1 20 ? 4.778 -7.585 -0.264 1.0 1.33 ? 20 ILE A CD1 6 20 . A ATOM 2477 H H . ILE A 1 20 ? 6.004 -3.861 0.011 1.0 0.58 ? 20 ILE A H 6 20 . A ATOM 2478 H HA . ILE A 1 20 ? 7.636 -5.142 1.999 1.0 0.57 ? 20 ILE A HA 6 20 . A ATOM 2479 H HB . ILE A 1 20 ? 5.972 -7.005 1.914 1.0 1.0 ? 20 ILE A HB 6 20 . A ATOM 2480 H HG12 . ILE A 1 20 ? 3.755 -5.994 0.674 1.0 1.04 ? 20 ILE A HG12 6 20 . A ATOM 2481 H HG13 . ILE A 1 20 ? 5.026 -5.494 -0.437 1.0 1.17 ? 20 ILE A HG13 6 20 . A ATOM 2482 H HG21 . ILE A 1 20 ? 5.724 -5.204 3.498 1.0 1.42 ? 20 ILE A HG21 6 20 . A ATOM 2483 H HG22 . ILE A 1 20 ? 4.140 -5.721 2.920 1.0 1.21 ? 20 ILE A HG22 6 20 . A ATOM 2484 H HG23 . ILE A 1 20 ? 4.862 -4.234 2.303 1.0 1.32 ? 20 ILE A HG23 6 20 . A ATOM 2485 H HD11 . ILE A 1 20 ? 4.159 -7.601 -1.149 1.0 1.7 ? 20 ILE A HD11 6 20 . A ATOM 2486 H HD12 . ILE A 1 20 ? 4.396 -8.294 0.455 1.0 1.35 ? 20 ILE A HD12 6 20 . A ATOM 2487 H HD13 . ILE A 1 20 ? 5.791 -7.850 -0.527 1.0 1.51 ? 20 ILE A HD13 6 20 . A ATOM 2488 N N . LYS A 1 21 ? 7.726 -6.232 -1.093 1.0 0.54 ? 21 LYS A N 6 21 . A ATOM 2489 C CA . LYS A 1 21 ? 8.458 -7.082 -2.047 1.0 0.66 ? 21 LYS A CA 6 21 . A ATOM 2490 C C . LYS A 1 21 ? 9.914 -6.628 -2.195 1.0 0.6 ? 21 LYS A C 6 21 . A ATOM 2491 O O . LYS A 1 21 ? 10.814 -7.457 -2.366 1.0 0.7 ? 21 LYS A O 6 21 . A ATOM 2492 C CB . LYS A 1 21 ? 7.772 -7.070 -3.416 1.0 0.79 ? 21 LYS A CB 6 21 . A ATOM 2493 C CG . LYS A 1 21 ? 6.526 -7.939 -3.485 1.0 1.01 ? 21 LYS A CG 6 21 . A ATOM 2494 C CD . LYS A 1 21 ? 5.971 -8.008 -4.899 1.0 1.03 ? 21 LYS A CD 6 21 . A ATOM 2495 C CE . LYS A 1 21 ? 4.805 -8.978 -4.992 1.0 1.13 ? 21 LYS A CE 6 21 . A ATOM 2496 N NZ . LYS A 1 21 ? 4.219 -9.014 -6.361 1.0 1.58 1 21 LYS A NZ 6 21 . A ATOM 2497 H H . LYS A 1 21 ? 7.086 -5.576 -1.441 1.0 0.52 ? 21 LYS A H 6 21 . A ATOM 2498 H HA . LYS A 1 21 ? 8.449 -8.091 -1.661 1.0 0.75 ? 21 LYS A HA 6 21 . A ATOM 2499 H HB2 . LYS A 1 21 ? 7.490 -6.056 -3.655 1.0 1.0 ? 21 LYS A HB2 6 21 . A ATOM 2500 H HB3 . LYS A 1 21 ? 8.472 -7.424 -4.159 1.0 0.9 ? 21 LYS A HB3 6 21 . A ATOM 2501 H HG2 . LYS A 1 21 ? 6.775 -8.937 -3.159 1.0 1.29 ? 21 LYS A HG2 6 21 . A ATOM 2502 H HG3 . LYS A 1 21 ? 5.773 -7.522 -2.833 1.0 1.39 ? 21 LYS A HG3 6 21 . A ATOM 2503 H HD2 . LYS A 1 21 ? 5.634 -7.025 -5.191 1.0 1.28 ? 21 LYS A HD2 6 21 . A ATOM 2504 H HD3 . LYS A 1 21 ? 6.755 -8.335 -5.567 1.0 1.06 ? 21 LYS A HD3 6 21 . A ATOM 2505 H HE2 . LYS A 1 21 ? 5.154 -9.966 -4.734 1.0 1.11 ? 21 LYS A HE2 6 21 . A ATOM 2506 H HE3 . LYS A 1 21 ? 4.042 -8.673 -4.291 1.0 1.19 ? 21 LYS A HE3 6 21 . A ATOM 2507 H HZ1 . LYS A 1 21 ? 3.416 -9.674 -6.388 1.0 1.84 ? 21 LYS A HZ1 6 21 . A ATOM 2508 H HZ2 . LYS A 1 21 ? 4.934 -9.327 -7.048 1.0 1.52 ? 21 LYS A HZ2 6 21 . A ATOM 2509 H HZ3 . LYS A 1 21 ? 3.885 -8.067 -6.632 1.0 2.1 ? 21 LYS A HZ3 6 21 . A ATOM 2510 N N . ARG A 1 22 ? 10.131 -5.303 -2.117 1.0 0.56 ? 22 ARG A N 6 22 . A ATOM 2511 C CA . ARG A 1 22 ? 11.475 -4.717 -2.225 1.0 0.56 ? 22 ARG A CA 6 22 . A ATOM 2512 C C . ARG A 1 22 ? 12.254 -4.855 -0.911 1.0 0.52 ? 22 ARG A C 6 22 . A ATOM 2513 O O . ARG A 1 22 ? 13.487 -4.930 -0.922 1.0 0.66 ? 22 ARG A O 6 22 . A ATOM 2514 C CB . ARG A 1 22 ? 11.386 -3.242 -2.626 1.0 0.63 ? 22 ARG A CB 6 22 . A ATOM 2515 C CG . ARG A 1 22 ? 11.112 -3.028 -4.107 1.0 0.92 ? 22 ARG A CG 6 22 . A ATOM 2516 C CD . ARG A 1 22 ? 11.134 -1.553 -4.470 1.0 1.04 ? 22 ARG A CD 6 22 . A ATOM 2517 N NE . ARG A 1 22 ? 10.897 -1.335 -5.902 1.0 1.25 ? 22 ARG A NE 6 22 . A ATOM 2518 C CZ . ARG A 1 22 ? 11.144 -0.189 -6.553 1.0 1.56 ? 22 ARG A CZ 6 22 . A ATOM 2519 N NH1 . ARG A 1 22 ? 11.640 0.871 -5.917 1.0 1.61 1 22 ARG A NH1 6 22 . A ATOM 2520 N NH2 . ARG A 1 22 ? 10.892 -0.105 -7.852 1.0 2.06 ? 22 ARG A NH2 6 22 . A ATOM 2521 H H . ARG A 1 22 ? 9.365 -4.707 -1.984 1.0 0.61 ? 22 ARG A H 6 22 . A ATOM 2522 H HA . ARG A 1 22 ? 12.005 -5.255 -2.996 1.0 0.67 ? 22 ARG A HA 6 22 . A ATOM 2523 H HB2 . ARG A 1 22 ? 10.590 -2.775 -2.064 1.0 0.98 ? 22 ARG A HB2 6 22 . A ATOM 2524 H HB3 . ARG A 1 22 ? 12.320 -2.757 -2.381 1.0 0.82 ? 22 ARG A HB3 6 22 . A ATOM 2525 H HG2 . ARG A 1 22 ? 11.870 -3.540 -4.681 1.0 1.19 ? 22 ARG A HG2 6 22 . A ATOM 2526 H HG3 . ARG A 1 22 ? 10.140 -3.435 -4.346 1.0 1.48 ? 22 ARG A HG3 6 22 . A ATOM 2527 H HD2 . ARG A 1 22 ? 10.365 -1.045 -3.907 1.0 1.28 ? 22 ARG A HD2 6 22 . A ATOM 2528 H HD3 . ARG A 1 22 ? 12.099 -1.145 -4.209 1.0 1.34 ? 22 ARG A HD3 6 22 . A ATOM 2529 H HE . ARG A 1 22 ? 10.532 -2.088 -6.413 1.0 1.43 ? 22 ARG A HE 6 22 . A ATOM 2530 H HH11 . ARG A 1 22 ? 11.835 0.821 -4.937 1.0 1.53 ? 22 ARG A HH11 6 22 . A ATOM 2531 H HH12 . ARG A 1 22 ? 11.818 1.718 -6.419 1.0 1.91 ? 22 ARG A HH12 6 22 . A ATOM 2532 H HH21 . ARG A 1 22 ? 10.519 -0.894 -8.340 1.0 2.25 ? 22 ARG A HH21 6 22 . A ATOM 2533 H HH22 . ARG A 1 22 ? 11.073 0.747 -8.343 1.0 2.34 ? 22 ARG A HH22 6 22 . A ATOM 2534 N N . LYS A 1 23 ? 11.522 -4.895 0.215 1.0 0.54 ? 23 LYS A N 6 23 . A ATOM 2535 C CA . LYS A 1 23 ? 12.130 -5.042 1.543 1.0 0.58 ? 23 LYS A CA 6 23 . A ATOM 2536 C C . LYS A 1 23 ? 12.359 -6.516 1.901 1.0 0.55 ? 23 LYS A C 6 23 . A ATOM 2537 O O . LYS A 1 23 ? 13.161 -6.824 2.787 1.0 0.59 ? 23 LYS A O 6 23 . A ATOM 2538 C CB . LYS A 1 23 ? 11.257 -4.377 2.609 1.0 0.76 ? 23 LYS A CB 6 23 . A ATOM 2539 C CG . LYS A 1 23 ? 11.470 -2.876 2.714 1.0 0.87 ? 23 LYS A CG 6 23 . A ATOM 2540 C CD . LYS A 1 23 ? 10.649 -2.272 3.843 1.0 0.92 ? 23 LYS A CD 6 23 . A ATOM 2541 C CE . LYS A 1 23 ? 11.068 -0.839 4.137 1.0 1.04 ? 23 LYS A CE 6 23 . A ATOM 2542 N NZ . LYS A 1 23 ? 12.360 -0.772 4.878 1.0 1.28 1 23 LYS A NZ 6 23 . A ATOM 2543 H H . LYS A 1 23 ? 10.547 -4.822 0.147 1.0 0.65 ? 23 LYS A H 6 23 . A ATOM 2544 H HA . LYS A 1 23 ? 13.088 -4.543 1.519 1.0 0.61 ? 23 LYS A HA 6 23 . A ATOM 2545 H HB2 . LYS A 1 23 ? 10.219 -4.556 2.371 1.0 0.93 ? 23 LYS A HB2 6 23 . A ATOM 2546 H HB3 . LYS A 1 23 ? 11.480 -4.819 3.569 1.0 0.93 ? 23 LYS A HB3 6 23 . A ATOM 2547 H HG2 . LYS A 1 23 ? 12.516 -2.684 2.901 1.0 1.19 ? 23 LYS A HG2 6 23 . A ATOM 2548 H HG3 . LYS A 1 23 ? 11.178 -2.415 1.782 1.0 1.25 ? 23 LYS A HG3 6 23 . A ATOM 2549 H HD2 . LYS A 1 23 ? 9.607 -2.280 3.561 1.0 1.26 ? 23 LYS A HD2 6 23 . A ATOM 2550 H HD3 . LYS A 1 23 ? 10.787 -2.868 4.734 1.0 1.17 ? 23 LYS A HD3 6 23 . A ATOM 2551 H HE2 . LYS A 1 23 ? 11.174 -0.310 3.202 1.0 1.4 ? 23 LYS A HE2 6 23 . A ATOM 2552 H HE3 . LYS A 1 23 ? 10.298 -0.367 4.730 1.0 1.42 ? 23 LYS A HE3 6 23 . A ATOM 2553 H HZ1 . LYS A 1 23 ? 12.273 -1.258 5.794 1.0 1.46 ? 23 LYS A HZ1 6 23 . A ATOM 2554 H HZ2 . LYS A 1 23 ? 12.624 0.219 5.049 1.0 1.73 ? 23 LYS A HZ2 6 23 . A ATOM 2555 H HZ3 . LYS A 1 23 ? 13.113 -1.229 4.325 1.0 1.85 ? 23 LYS A HZ3 6 23 . A ATOM 2556 N N . ARG A 1 24 ? 11.648 -7.416 1.204 1.0 0.6 ? 24 ARG A N 6 24 . A ATOM 2557 C CA . ARG A 1 24 ? 11.774 -8.860 1.428 1.0 0.7 ? 24 ARG A CA 6 24 . A ATOM 2558 C C . ARG A 1 24 ? 12.804 -9.475 0.471 1.0 0.66 ? 24 ARG A C 6 24 . A ATOM 2559 O O . ARG A 1 24 ? 13.478 -10.448 0.822 1.0 0.76 ? 24 ARG A O 6 24 . A ATOM 2560 C CB . ARG A 1 24 ? 10.414 -9.546 1.247 1.0 0.89 ? 24 ARG A CB 6 24 . A ATOM 2561 C CG . ARG A 1 24 ? 10.226 -10.787 2.108 1.0 1.36 ? 24 ARG A CG 6 24 . A ATOM 2562 C CD . ARG A 1 24 ? 8.885 -11.450 1.839 1.0 1.41 ? 24 ARG A CD 6 24 . A ATOM 2563 N NE . ARG A 1 24 ? 8.696 -12.656 2.652 1.0 1.42 ? 24 ARG A NE 6 24 . A ATOM 2564 C CZ . ARG A 1 24 ? 7.682 -13.523 2.509 1.0 1.54 ? 24 ARG A CZ 6 24 . A ATOM 2565 N NH1 . ARG A 1 24 ? 6.743 -13.337 1.582 1.0 1.76 1 24 ARG A NH1 6 24 . A ATOM 2566 N NH2 . ARG A 1 24 ? 7.610 -14.583 3.302 1.0 1.78 ? 24 ARG A NH2 6 24 . A ATOM 2567 H H . ARG A 1 24 ? 11.022 -7.097 0.521 1.0 0.65 ? 24 ARG A H 6 24 . A ATOM 2568 H HA . ARG A 1 24 ? 12.110 -9.010 2.443 1.0 0.76 ? 24 ARG A HA 6 24 . A ATOM 2569 H HB2 . ARG A 1 24 ? 9.635 -8.842 1.496 1.0 0.92 ? 24 ARG A HB2 6 24 . A ATOM 2570 H HB3 . ARG A 1 24 ? 10.306 -9.834 0.211 1.0 1.17 ? 24 ARG A HB3 6 24 . A ATOM 2571 H HG2 . ARG A 1 24 ? 11.015 -11.491 1.887 1.0 1.78 ? 24 ARG A HG2 6 24 . A ATOM 2572 H HG3 . ARG A 1 24 ? 10.276 -10.503 3.149 1.0 1.59 ? 24 ARG A HG3 6 24 . A ATOM 2573 H HD2 . ARG A 1 24 ? 8.098 -10.747 2.067 1.0 1.52 ? 24 ARG A HD2 6 24 . A ATOM 2574 H HD3 . ARG A 1 24 ? 8.835 -11.720 0.795 1.0 1.59 ? 24 ARG A HD3 6 24 . A ATOM 2575 H HE . ARG A 1 24 ? 9.363 -12.835 3.348 1.0 1.58 ? 24 ARG A HE 6 24 . A ATOM 2576 H HH11 . ARG A 1 24 ? 6.787 -12.541 0.978 1.0 1.84 ? 24 ARG A HH11 6 24 . A ATOM 2577 H HH12 . ARG A 1 24 ? 5.995 -13.994 1.490 1.0 2.01 ? 24 ARG A HH12 6 24 . A ATOM 2578 H HH21 . ARG A 1 24 ? 8.309 -14.732 4.002 1.0 1.94 ? 24 ARG A HH21 6 24 . A ATOM 2579 H HH22 . ARG A 1 24 ? 6.857 -15.233 3.201 1.0 1.96 ? 24 ARG A HH22 6 24 . A ATOM 2580 N N . GLN A 1 25 ? 12.914 -8.896 -0.734 1.0 0.59 ? 25 GLN A N 6 25 . A ATOM 2581 C CA . GLN A 1 25 ? 13.858 -9.371 -1.752 1.0 0.62 ? 25 GLN A CA 6 25 . A ATOM 2582 C C . GLN A 1 25 ? 15.220 -8.682 -1.616 1.0 0.58 ? 25 GLN A C 6 25 . A ATOM 2583 O O . GLN A 1 25 ? 16.262 -9.329 -1.756 1.0 0.68 ? 25 GLN A O 6 25 . A ATOM 2584 C CB . GLN A 1 25 ? 13.294 -9.139 -3.159 1.0 0.7 ? 25 GLN A CB 6 25 . A ATOM 2585 C CG . GLN A 1 25 ? 12.148 -10.076 -3.528 1.0 1.11 ? 25 GLN A CG 6 25 . A ATOM 2586 C CD . GLN A 1 25 ? 11.607 -9.847 -4.932 1.0 1.18 ? 25 GLN A CD 6 25 . A ATOM 2587 O OE1 . GLN A 1 25 ? 12.344 -9.493 -5.857 1.0 1.5 ? 25 GLN A OE1 6 25 . A ATOM 2588 N NE2 . GLN A 1 25 ? 10.305 -10.048 -5.098 1.0 1.28 ? 25 GLN A NE2 6 25 . A ATOM 2589 H H . GLN A 1 25 ? 12.342 -8.127 -0.942 1.0 0.59 ? 25 GLN A H 6 25 . A ATOM 2590 H HA . GLN A 1 25 ? 13.993 -10.432 -1.603 1.0 0.73 ? 25 GLN A HA 6 25 . A ATOM 2591 H HB2 . GLN A 1 25 ? 12.934 -8.123 -3.226 1.0 0.73 ? 25 GLN A HB2 6 25 . A ATOM 2592 H HB3 . GLN A 1 25 ? 14.087 -9.277 -3.879 1.0 1.04 ? 25 GLN A HB3 6 25 . A ATOM 2593 H HG2 . GLN A 1 25 ? 12.500 -11.094 -3.460 1.0 1.51 ? 25 GLN A HG2 6 25 . A ATOM 2594 H HG3 . GLN A 1 25 ? 11.343 -9.930 -2.821 1.0 1.3 ? 25 GLN A HG3 6 25 . A ATOM 2595 H HE21 . GLN A 1 25 ? 9.777 -10.327 -4.321 1.0 1.53 ? 25 GLN A HE21 6 25 . A ATOM 2596 H HE22 . GLN A 1 25 ? 9.925 -9.909 -5.991 1.0 1.31 ? 25 GLN A HE22 6 25 . A ATOM 2597 N N . GLN A 1 26 ? 15.197 -7.371 -1.344 1.0 0.55 ? 26 GLN A N 6 26 . A ATOM 2598 C CA . GLN A 1 26 ? 16.423 -6.584 -1.185 1.0 0.64 ? 26 GLN A CA 6 26 . A ATOM 2599 C C . GLN A 1 26 ? 16.627 -6.172 0.276 1.0 0.76 ? 26 GLN A C 6 26 . A ATOM 2600 O O . GLN A 1 26 ? 17.700 -6.369 0.846 1.0 0.87 ? 26 GLN A O 6 26 . A ATOM 2601 C CB . GLN A 1 26 ? 16.394 -5.346 -2.091 1.0 0.78 ? 26 GLN A CB 6 26 . A ATOM 2602 C CG . GLN A 1 26 ? 16.583 -5.661 -3.568 1.0 0.82 ? 26 GLN A CG 6 26 . A ATOM 2603 C CD . GLN A 1 26 ? 16.571 -4.418 -4.435 1.0 1.06 ? 26 GLN A CD 6 26 . A ATOM 2604 O OE1 . GLN A 1 26 ? 15.520 -3.989 -4.912 1.0 1.31 ? 26 GLN A OE1 6 26 . A ATOM 2605 N NE2 . GLN A 1 26 ? 17.744 -3.833 -4.644 1.0 1.13 ? 26 GLN A NE2 6 26 . A ATOM 2606 H H . GLN A 1 26 ? 14.331 -6.922 -1.250 1.0 0.55 ? 26 GLN A H 6 26 . A ATOM 2607 H HA . GLN A 1 26 ? 17.251 -7.211 -1.481 1.0 0.63 ? 26 GLN A HA 6 26 . A ATOM 2608 H HB2 . GLN A 1 26 ? 15.442 -4.849 -1.971 1.0 0.84 ? 26 GLN A HB2 6 26 . A ATOM 2609 H HB3 . GLN A 1 26 ? 17.181 -4.672 -1.786 1.0 0.89 ? 26 GLN A HB3 6 26 . A ATOM 2610 H HG2 . GLN A 1 26 ? 17.531 -6.162 -3.697 1.0 0.8 ? 26 GLN A HG2 6 26 . A ATOM 2611 H HG3 . GLN A 1 26 ? 15.785 -6.314 -3.888 1.0 0.78 ? 26 GLN A HG3 6 26 . A ATOM 2612 H HE21 . GLN A 1 26 ? 18.540 -4.230 -4.232 1.0 1.11 ? 26 GLN A HE21 6 26 . A ATOM 2613 H HE22 . GLN A 1 26 ? 17.767 -3.027 -5.201 1.0 1.29 ? 26 GLN A HE22 6 26 . A HETATM 2614 N N . NH2 A 1 27 ? 15.585 -5.596 0.873 1.0 0.84 ? 27 NH2 A N 6 27 . A HETATM 2615 H HN1 . NH2 A 1 27 ? 14.764 -5.473 0.353 1.0 0.81 ? 27 NH2 A HN1 6 27 . A HETATM 2616 H HN2 . NH2 A 1 27 ? 15.682 -5.320 1.808 1.0 0.97 ? 27 NH2 A HN2 6 27 . A ATOM 2617 N N . GLY A 1 1 ? -13.315 9.669 8.969 1.0 2.35 ? 1 GLY A N 7 1 . A ATOM 2618 C CA . GLY A 1 1 ? -14.543 8.832 8.869 1.0 1.58 ? 1 GLY A CA 7 1 . A ATOM 2619 C C . GLY A 1 1 ? -14.447 7.784 7.776 1.0 1.16 ? 1 GLY A C 7 1 . A ATOM 2620 O O . GLY A 1 1 ? -13.359 7.535 7.242 1.0 1.12 ? 1 GLY A O 7 1 . A ATOM 2621 H H1 . GLY A 1 1 ? -12.493 9.071 9.191 1.0 2.47 ? 1 GLY A H1 7 1 . A ATOM 2622 H H2 . GLY A 1 1 ? -13.427 10.379 9.720 1.0 2.69 ? 1 GLY A H2 7 1 . A ATOM 2623 H H3 . GLY A 1 1 ? -13.142 10.158 8.067 1.0 2.71 ? 1 GLY A H3 7 1 . A ATOM 2624 H HA2 . GLY A 1 1 ? -14.705 8.336 9.814 1.0 1.5 ? 1 GLY A HA2 7 1 . A ATOM 2625 H HA3 . GLY A 1 1 ? -15.387 9.474 8.663 1.0 1.88 ? 1 GLY A HA3 7 1 . A ATOM 2626 N N . ILE A 1 2 ? -15.600 7.185 7.432 1.0 1.2 ? 2 ILE A N 7 2 . A ATOM 2627 C CA . ILE A 1 2 ? -15.684 6.140 6.389 1.0 1.08 ? 2 ILE A CA 7 2 . A ATOM 2628 C C . ILE A 1 2 ? -15.226 6.649 5.012 1.0 1.43 ? 2 ILE A C 7 2 . A ATOM 2629 O O . ILE A 1 2 ? -14.562 5.921 4.264 1.0 2.45 ? 2 ILE A O 7 2 . A ATOM 2630 C CB . ILE A 1 2 ? -17.114 5.527 6.270 1.0 1.15 ? 2 ILE A CB 7 2 . A ATOM 2631 C CG1 . ILE A 1 2 ? -18.228 6.595 6.308 1.0 1.4 ? 2 ILE A CG1 7 2 . A ATOM 2632 C CG2 . ILE A 1 2 ? -17.334 4.504 7.373 1.0 1.45 ? 2 ILE A CG2 7 2 . A ATOM 2633 C CD1 . ILE A 1 2 ? -18.630 7.113 4.942 1.0 1.69 ? 2 ILE A CD1 7 2 . A ATOM 2634 H H . ILE A 1 2 ? -16.422 7.452 7.894 1.0 1.54 ? 2 ILE A H 7 2 . A ATOM 2635 H HA . ILE A 1 2 ? -15.017 5.344 6.687 1.0 1.12 ? 2 ILE A HA 7 2 . A ATOM 2636 H HB . ILE A 1 2 ? -17.168 5.002 5.326 1.0 1.36 ? 2 ILE A HB 7 2 . A ATOM 2637 H HG12 . ILE A 1 2 ? -19.107 6.172 6.770 1.0 1.59 ? 2 ILE A HG12 7 2 . A ATOM 2638 H HG13 . ILE A 1 2 ? -17.889 7.436 6.895 1.0 1.58 ? 2 ILE A HG13 7 2 . A ATOM 2639 H HG21 . ILE A 1 2 ? -18.325 4.084 7.282 1.0 1.73 ? 2 ILE A HG21 7 2 . A ATOM 2640 H HG22 . ILE A 1 2 ? -17.234 4.985 8.335 1.0 1.49 ? 2 ILE A HG22 7 2 . A ATOM 2641 H HG23 . ILE A 1 2 ? -16.599 3.717 7.286 1.0 1.68 ? 2 ILE A HG23 7 2 . A ATOM 2642 H HD11 . ILE A 1 2 ? -19.453 7.806 5.047 1.0 2.05 ? 2 ILE A HD11 7 2 . A ATOM 2643 H HD12 . ILE A 1 2 ? -18.933 6.286 4.317 1.0 1.74 ? 2 ILE A HD12 7 2 . A ATOM 2644 H HD13 . ILE A 1 2 ? -17.791 7.619 4.487 1.0 1.76 ? 2 ILE A HD13 7 2 . A ATOM 2645 N N . GLY A 1 3 ? -15.570 7.910 4.706 1.0 1.01 ? 3 GLY A N 7 3 . A ATOM 2646 C CA . GLY A 1 3 ? -15.198 8.524 3.432 1.0 1.23 ? 3 GLY A CA 7 3 . A ATOM 2647 C C . GLY A 1 3 ? -13.706 8.811 3.322 1.0 0.93 ? 3 GLY A C 7 3 . A ATOM 2648 O O . GLY A 1 3 ? -13.124 8.677 2.241 1.0 1.16 ? 3 GLY A O 7 3 . A ATOM 2649 H H . GLY A 1 3 ? -16.086 8.431 5.357 1.0 1.23 ? 3 GLY A H 7 3 . A ATOM 2650 H HA2 . GLY A 1 3 ? -15.482 7.860 2.630 1.0 1.67 ? 3 GLY A HA2 7 3 . A ATOM 2651 H HA3 . GLY A 1 3 ? -15.739 9.452 3.322 1.0 1.55 ? 3 GLY A HA3 7 3 . A ATOM 2652 N N . ALA A 1 4 ? -13.087 9.184 4.455 1.0 0.96 ? 4 ALA A N 7 4 . A ATOM 2653 C CA . ALA A 1 4 ? -11.652 9.488 4.508 1.0 0.91 ? 4 ALA A CA 7 4 . A ATOM 2654 C C . ALA A 1 4 ? -10.806 8.216 4.377 1.0 0.91 ? 4 ALA A C 7 4 . A ATOM 2655 O O . ALA A 1 4 ? -9.854 8.180 3.587 1.0 1.37 ? 4 ALA A O 7 4 . A ATOM 2656 C CB . ALA A 1 4 ? -11.316 10.225 5.798 1.0 1.32 ? 4 ALA A CB 7 4 . A ATOM 2657 H H . ALA A 1 4 ? -13.614 9.255 5.278 1.0 1.33 ? 4 ALA A H 7 4 . A ATOM 2658 H HA . ALA A 1 4 ? -11.424 10.143 3.679 1.0 1.01 ? 4 ALA A HA 7 4 . A ATOM 2659 H HB1 . ALA A 1 4 ? -11.514 9.582 6.643 1.0 1.53 ? 4 ALA A HB1 7 4 . A ATOM 2660 H HB2 . ALA A 1 4 ? -11.924 11.115 5.873 1.0 1.55 ? 4 ALA A HB2 7 4 . A ATOM 2661 H HB3 . ALA A 1 4 ? -10.272 10.501 5.793 1.0 1.62 ? 4 ALA A HB3 7 4 . A ATOM 2662 N N . VAL A 1 5 ? -11.181 7.166 5.135 1.0 0.84 ? 5 VAL A N 7 5 . A ATOM 2663 C CA . VAL A 1 5 ? -10.465 5.874 5.104 1.0 0.86 ? 5 VAL A CA 7 5 . A ATOM 2664 C C . VAL A 1 5 ? -10.608 5.180 3.741 1.0 0.72 ? 5 VAL A C 7 5 . A ATOM 2665 O O . VAL A 1 5 ? -9.660 4.557 3.256 1.0 0.86 ? 5 VAL A O 7 5 . A ATOM 2666 C CB . VAL A 1 5 ? -10.916 4.901 6.235 1.0 1.06 ? 5 VAL A CB 7 5 . A ATOM 2667 C CG1 . VAL A 1 5 ? -10.313 5.323 7.567 1.0 1.28 ? 5 VAL A CG1 7 5 . A ATOM 2668 C CG2 . VAL A 1 5 ? -12.438 4.806 6.352 1.0 1.11 ? 5 VAL A CG2 7 5 . A ATOM 2669 H H . VAL A 1 5 ? -11.955 7.263 5.728 1.0 1.11 ? 5 VAL A H 7 5 . A ATOM 2670 H HA . VAL A 1 5 ? -9.418 6.090 5.260 1.0 0.96 ? 5 VAL A HA 7 5 . A ATOM 2671 H HB . VAL A 1 5 ? -10.536 3.917 5.998 1.0 1.11 ? 5 VAL A HB 7 5 . A ATOM 2672 H HG11 . VAL A 1 5 ? -10.602 4.618 8.332 1.0 1.45 ? 5 VAL A HG11 7 5 . A ATOM 2673 H HG12 . VAL A 1 5 ? -10.672 6.307 7.829 1.0 1.25 ? 5 VAL A HG12 7 5 . A ATOM 2674 H HG13 . VAL A 1 5 ? -9.236 5.343 7.484 1.0 1.33 ? 5 VAL A HG13 7 5 . A ATOM 2675 H HG21 . VAL A 1 5 ? -12.853 4.476 5.411 1.0 1.32 ? 5 VAL A HG21 7 5 . A ATOM 2676 H HG22 . VAL A 1 5 ? -12.837 5.777 6.601 1.0 1.19 ? 5 VAL A HG22 7 5 . A ATOM 2677 H HG23 . VAL A 1 5 ? -12.697 4.100 7.128 1.0 1.46 ? 5 VAL A HG23 7 5 . A ATOM 2678 N N . LEU A 1 6 ? -11.799 5.314 3.129 1.0 0.63 ? 6 LEU A N 7 6 . A ATOM 2679 C CA . LEU A 1 6 ? -12.078 4.723 1.813 1.0 0.66 ? 6 LEU A CA 7 6 . A ATOM 2680 C C . LEU A 1 6 ? -11.344 5.473 0.696 1.0 0.68 ? 6 LEU A C 7 6 . A ATOM 2681 O O . LEU A 1 6 ? -10.933 4.865 -0.297 1.0 1.05 ? 6 LEU A O 7 6 . A ATOM 2682 C CB . LEU A 1 6 ? -13.588 4.716 1.531 1.0 0.8 ? 6 LEU A CB 7 6 . A ATOM 2683 C CG . LEU A 1 6 ? -14.368 3.531 2.118 1.0 0.91 ? 6 LEU A CG 7 6 . A ATOM 2684 C CD1 . LEU A 1 6 ? -15.825 3.912 2.331 1.0 1.08 ? 6 LEU A CD1 7 6 . A ATOM 2685 C CD2 . LEU A 1 6 ? -14.275 2.311 1.206 1.0 1.13 ? 6 LEU A CD2 7 6 . A ATOM 2686 H H . LEU A 1 6 ? -12.505 5.826 3.577 1.0 0.71 ? 6 LEU A H 7 6 . A ATOM 2687 H HA . LEU A 1 6 ? -11.724 3.703 1.832 1.0 0.75 ? 6 LEU A HA 7 6 . A ATOM 2688 H HB2 . LEU A 1 6 ? -14.009 5.628 1.929 1.0 0.88 ? 6 LEU A HB2 7 6 . A ATOM 2689 H HB3 . LEU A 1 6 ? -13.730 4.715 0.460 1.0 0.89 ? 6 LEU A HB3 7 6 . A ATOM 2690 H HG . LEU A 1 6 ? -13.947 3.268 3.077 1.0 1.1 ? 6 LEU A HG 7 6 . A ATOM 2691 H HD11 . LEU A 1 6 ? -16.368 3.060 2.712 1.0 1.22 ? 6 LEU A HD11 7 6 . A ATOM 2692 H HD12 . LEU A 1 6 ? -16.257 4.224 1.391 1.0 1.49 ? 6 LEU A HD12 7 6 . A ATOM 2693 H HD13 . LEU A 1 6 ? -15.884 4.724 3.041 1.0 1.18 ? 6 LEU A HD13 7 6 . A ATOM 2694 H HD21 . LEU A 1 6 ? -14.672 2.558 0.232 1.0 1.24 ? 6 LEU A HD21 7 6 . A ATOM 2695 H HD22 . LEU A 1 6 ? -14.845 1.499 1.632 1.0 1.27 ? 6 LEU A HD22 7 6 . A ATOM 2696 H HD23 . LEU A 1 6 ? -13.241 2.013 1.108 1.0 1.31 ? 6 LEU A HD23 7 6 . A ATOM 2697 N N . LYS A 1 7 ? -11.168 6.795 0.881 1.0 0.57 ? 7 LYS A N 7 7 . A ATOM 2698 C CA . LYS A 1 7 ? -10.475 7.645 -0.100 1.0 0.64 ? 7 LYS A CA 7 7 . A ATOM 2699 C C . LYS A 1 7 ? -8.959 7.417 -0.088 1.0 0.66 ? 7 LYS A C 7 7 . A ATOM 2700 O O . LYS A 1 7 ? -8.310 7.515 -1.134 1.0 0.74 ? 7 LYS A O 7 7 . A ATOM 2701 C CB . LYS A 1 7 ? -10.780 9.121 0.161 1.0 0.73 ? 7 LYS A CB 7 7 . A ATOM 2702 C CG . LYS A 1 7 ? -12.093 9.586 -0.446 1.0 1.05 ? 7 LYS A CG 7 7 . A ATOM 2703 C CD . LYS A 1 7 ? -12.342 11.063 -0.174 1.0 1.19 ? 7 LYS A CD 7 7 . A ATOM 2704 C CE . LYS A 1 7 ? -13.668 11.528 -0.759 1.0 1.59 ? 7 LYS A CE 7 7 . A ATOM 2705 N NZ . LYS A 1 7 ? -14.833 11.051 0.040 1.0 1.52 1 7 LYS A NZ 7 7 . A ATOM 2706 H H . LYS A 1 7 ? -11.513 7.207 1.701 1.0 0.69 ? 7 LYS A H 7 7 . A ATOM 2707 H HA . LYS A 1 7 ? -10.851 7.383 -1.077 1.0 0.7 ? 7 LYS A HA 7 7 . A ATOM 2708 H HB2 . LYS A 1 7 ? -10.823 9.286 1.227 1.0 0.78 ? 7 LYS A HB2 7 7 . A ATOM 2709 H HB3 . LYS A 1 7 ? -9.983 9.721 -0.255 1.0 0.92 ? 7 LYS A HB3 7 7 . A ATOM 2710 H HG2 . LYS A 1 7 ? -12.062 9.427 -1.514 1.0 1.52 ? 7 LYS A HG2 7 7 . A ATOM 2711 H HG3 . LYS A 1 7 ? -12.900 9.010 -0.018 1.0 1.25 ? 7 LYS A HG3 7 7 . A ATOM 2712 H HD2 . LYS A 1 7 ? -12.356 11.224 0.893 1.0 1.19 ? 7 LYS A HD2 7 7 . A ATOM 2713 H HD3 . LYS A 1 7 ? -11.541 11.640 -0.615 1.0 1.49 ? 7 LYS A HD3 7 7 . A ATOM 2714 H HE2 . LYS A 1 7 ? -13.678 12.608 -0.781 1.0 1.94 ? 7 LYS A HE2 7 7 . A ATOM 2715 H HE3 . LYS A 1 7 ? -13.754 11.149 -1.767 1.0 2.19 ? 7 LYS A HE3 7 7 . A ATOM 2716 H HZ1 . LYS A 1 7 ? -15.719 11.397 -0.380 1.0 2.02 ? 7 LYS A HZ1 7 7 . A ATOM 2717 H HZ2 . LYS A 1 7 ? -14.765 11.403 1.016 1.0 1.72 ? 7 LYS A HZ2 7 7 . A ATOM 2718 H HZ3 . LYS A 1 7 ? -14.852 10.011 0.058 1.0 1.75 ? 7 LYS A HZ3 7 7 . A ATOM 2719 N N . VAL A 1 8 ? -8.403 7.112 1.096 1.0 0.65 ? 8 VAL A N 7 8 . A ATOM 2720 C CA . VAL A 1 8 ? -6.957 6.857 1.230 1.0 0.75 ? 8 VAL A CA 7 8 . A ATOM 2721 C C . VAL A 1 8 ? -6.611 5.371 1.022 1.0 0.73 ? 8 VAL A C 7 8 . A ATOM 2722 O O . VAL A 1 8 ? -5.434 5.020 0.896 1.0 1.09 ? 8 VAL A O 7 8 . A ATOM 2723 C CB . VAL A 1 8 ? -6.377 7.342 2.594 1.0 0.88 ? 8 VAL A CB 7 8 . A ATOM 2724 C CG1 . VAL A 1 8 ? -6.294 8.862 2.629 1.0 0.99 ? 8 VAL A CG1 7 8 . A ATOM 2725 C CG2 . VAL A 1 8 ? -7.183 6.830 3.791 1.0 0.86 ? 8 VAL A CG2 7 8 . A ATOM 2726 H H . VAL A 1 8 ? -8.973 7.057 1.891 1.0 0.62 ? 8 VAL A H 7 8 . A ATOM 2727 H HA . VAL A 1 8 ? -6.467 7.422 0.449 1.0 0.81 ? 8 VAL A HA 7 8 . A ATOM 2728 H HB . VAL A 1 8 ? -5.370 6.957 2.681 1.0 0.96 ? 8 VAL A HB 7 8 . A ATOM 2729 H HG11 . VAL A 1 8 ? -5.901 9.179 3.583 1.0 1.09 ? 8 VAL A HG11 7 8 . A ATOM 2730 H HG12 . VAL A 1 8 ? -7.280 9.279 2.489 1.0 0.94 ? 8 VAL A HG12 7 8 . A ATOM 2731 H HG13 . VAL A 1 8 ? -5.642 9.205 1.839 1.0 1.05 ? 8 VAL A HG13 7 8 . A ATOM 2732 H HG21 . VAL A 1 8 ? -7.278 5.756 3.728 1.0 1.28 ? 8 VAL A HG21 7 8 . A ATOM 2733 H HG22 . VAL A 1 8 ? -8.163 7.280 3.781 1.0 1.02 ? 8 VAL A HG22 7 8 . A ATOM 2734 H HG23 . VAL A 1 8 ? -6.674 7.093 4.707 1.0 1.3 ? 8 VAL A HG23 7 8 . A ATOM 2735 N N . LEU A 1 9 ? -7.642 4.514 0.987 1.0 0.61 ? 9 LEU A N 7 9 . A ATOM 2736 C CA . LEU A 1 9 ? -7.451 3.072 0.797 1.0 0.66 ? 9 LEU A CA 7 9 . A ATOM 2737 C C . LEU A 1 9 ? -7.664 2.659 -0.665 1.0 0.63 ? 9 LEU A C 7 9 . A ATOM 2738 O O . LEU A 1 9 ? -7.081 1.671 -1.119 1.0 0.8 ? 9 LEU A O 7 9 . A ATOM 2739 C CB . LEU A 1 9 ? -8.406 2.286 1.709 1.0 0.82 ? 9 LEU A CB 7 9 . A ATOM 2740 C CG . LEU A 1 9 ? -7.969 0.856 2.062 1.0 0.99 ? 9 LEU A CG 7 9 . A ATOM 2741 C CD1 . LEU A 1 9 ? -7.025 0.852 3.258 1.0 1.17 ? 9 LEU A CD1 7 9 . A ATOM 2742 C CD2 . LEU A 1 9 ? -9.185 -0.016 2.340 1.0 1.19 ? 9 LEU A CD2 7 9 . A ATOM 2743 H H . LEU A 1 9 ? -8.552 4.862 1.092 1.0 0.78 ? 9 LEU A H 7 9 . A ATOM 2744 H HA . LEU A 1 9 ? -6.435 2.838 1.076 1.0 0.73 ? 9 LEU A HA 7 9 . A ATOM 2745 H HB2 . LEU A 1 9 ? -8.522 2.839 2.630 1.0 0.84 ? 9 LEU A HB2 7 9 . A ATOM 2746 H HB3 . LEU A 1 9 ? -9.368 2.233 1.222 1.0 0.9 ? 9 LEU A HB3 7 9 . A ATOM 2747 H HG . LEU A 1 9 ? -7.441 0.432 1.220 1.0 1.16 ? 9 LEU A HG 7 9 . A ATOM 2748 H HD11 . LEU A 1 9 ? -6.761 -0.165 3.507 1.0 1.48 ? 9 LEU A HD11 7 9 . A ATOM 2749 H HD12 . LEU A 1 9 ? -7.513 1.315 4.103 1.0 1.24 ? 9 LEU A HD12 7 9 . A ATOM 2750 H HD13 . LEU A 1 9 ? -6.130 1.406 3.012 1.0 1.43 ? 9 LEU A HD13 7 9 . A ATOM 2751 H HD21 . LEU A 1 9 ? -9.749 0.406 3.159 1.0 1.29 ? 9 LEU A HD21 7 9 . A ATOM 2752 H HD22 . LEU A 1 9 ? -8.861 -1.013 2.601 1.0 1.33 ? 9 LEU A HD22 7 9 . A ATOM 2753 H HD23 . LEU A 1 9 ? -9.807 -0.058 1.458 1.0 1.33 ? 9 LEU A HD23 7 9 . A ATOM 2754 N N . THR A 1 10 ? -8.498 3.419 -1.393 1.0 0.58 ? 10 THR A N 7 10 . A ATOM 2755 C CA . THR A 1 10 ? -8.794 3.123 -2.805 1.0 0.7 ? 10 THR A CA 7 10 . A ATOM 2756 C C . THR A 1 10 ? -7.740 3.700 -3.762 1.0 0.7 ? 10 THR A C 7 10 . A ATOM 2757 O O . THR A 1 10 ? -7.736 3.369 -4.952 1.0 0.88 ? 10 THR A O 7 10 . A ATOM 2758 C CB . THR A 1 10 ? -10.182 3.658 -3.222 1.0 0.82 ? 10 THR A CB 7 10 . A ATOM 2759 O OG1 . THR A 1 10 ? -10.307 5.039 -2.859 1.0 0.97 ? 10 THR A OG1 7 10 . A ATOM 2760 C CG2 . THR A 1 10 ? -11.302 2.851 -2.576 1.0 1.05 ? 10 THR A CG2 7 10 . A ATOM 2761 H H . THR A 1 10 ? -8.922 4.195 -0.972 1.0 0.61 ? 10 THR A H 7 10 . A ATOM 2762 H HA . THR A 1 10 ? -8.806 2.048 -2.917 1.0 0.8 ? 10 THR A HA 7 10 . A ATOM 2763 H HB . THR A 1 10 ? -10.273 3.570 -4.295 1.0 0.97 ? 10 THR A HB 7 10 . A ATOM 2764 H HG1 . THR A 1 10 ? -10.845 5.494 -3.511 1.0 1.15 ? 10 THR A HG1 7 10 . A ATOM 2765 H HG21 . THR A 1 10 ? -12.257 3.246 -2.890 1.0 1.35 ? 10 THR A HG21 7 10 . A ATOM 2766 H HG22 . THR A 1 10 ? -11.220 2.918 -1.501 1.0 1.45 ? 10 THR A HG22 7 10 . A ATOM 2767 H HG23 . THR A 1 10 ? -11.222 1.818 -2.879 1.0 1.46 ? 10 THR A HG23 7 10 . A ATOM 2768 N N . THR A 1 11 ? -6.855 4.556 -3.235 1.0 0.59 ? 11 THR A N 7 11 . A ATOM 2769 C CA . THR A 1 11 ? -5.801 5.183 -4.041 1.0 0.7 ? 11 THR A CA 7 11 . A ATOM 2770 C C . THR A 1 11 ? -4.460 4.466 -3.877 1.0 0.8 ? 11 THR A C 7 11 . A ATOM 2771 O O . THR A 1 11 ? -3.772 4.202 -4.868 1.0 1.51 ? 11 THR A O 7 11 . A ATOM 2772 C CB . THR A 1 11 ? -5.620 6.676 -3.686 1.0 0.65 ? 11 THR A CB 7 11 . A ATOM 2773 O OG1 . THR A 1 11 ? -5.556 6.842 -2.264 1.0 0.51 ? 11 THR A OG1 7 11 . A ATOM 2774 C CG2 . THR A 1 11 ? -6.759 7.515 -4.252 1.0 0.76 ? 11 THR A CG2 7 11 . A ATOM 2775 H H . THR A 1 11 ? -6.912 4.770 -2.280 1.0 0.51 ? 11 THR A H 7 11 . A ATOM 2776 H HA . THR A 1 11 ? -6.101 5.120 -5.077 1.0 0.88 ? 11 THR A HA 7 11 . A ATOM 2777 H HB . THR A 1 11 ? -4.692 7.020 -4.120 1.0 0.76 ? 11 THR A HB 7 11 . A ATOM 2778 H HG1 . THR A 1 11 ? -6.001 7.657 -2.017 1.0 0.97 ? 11 THR A HG1 7 11 . A ATOM 2779 H HG21 . THR A 1 11 ? -6.621 8.548 -3.967 1.0 1.28 ? 11 THR A HG21 7 11 . A ATOM 2780 H HG22 . THR A 1 11 ? -7.699 7.156 -3.862 1.0 1.01 ? 11 THR A HG22 7 11 . A ATOM 2781 H HG23 . THR A 1 11 ? -6.762 7.437 -5.329 1.0 1.16 ? 11 THR A HG23 7 11 . A ATOM 2782 N N . GLY A 1 12 ? -4.100 4.157 -2.625 1.0 0.88 ? 12 GLY A N 7 12 . A ATOM 2783 C CA . GLY A 1 12 ? -2.841 3.478 -2.343 1.0 0.94 ? 12 GLY A CA 7 12 . A ATOM 2784 C C . GLY A 1 12 ? -3.013 1.986 -2.130 1.0 0.89 ? 12 GLY A C 7 12 . A ATOM 2785 O O . GLY A 1 12 ? -3.537 1.559 -1.097 1.0 0.98 ? 12 GLY A O 7 12 . A ATOM 2786 H H . GLY A 1 12 ? -4.697 4.393 -1.885 1.0 1.39 ? 12 GLY A H 7 12 . A ATOM 2787 H HA2 . GLY A 1 12 ? -2.168 3.635 -3.172 1.0 1.07 ? 12 GLY A HA2 7 12 . A ATOM 2788 H HA3 . GLY A 1 12 ? -2.405 3.908 -1.453 1.0 0.97 ? 12 GLY A HA3 7 12 . A ATOM 2789 N N . LEU A 1 13 ? -2.568 1.197 -3.116 1.0 0.8 ? 13 LEU A N 7 13 . A ATOM 2790 C CA . LEU A 1 13 ? -2.658 -0.265 -3.055 1.0 0.75 ? 13 LEU A CA 7 13 . A ATOM 2791 C C . LEU A 1 13 ? -1.350 -0.940 -3.526 1.0 0.67 ? 13 LEU A C 7 13 . A ATOM 2792 O O . LEU A 1 13 ? -0.875 -1.853 -2.845 1.0 0.63 ? 13 LEU A O 7 13 . A ATOM 2793 C CB . LEU A 1 13 ? -3.848 -0.780 -3.887 1.0 0.84 ? 13 LEU A CB 7 13 . A ATOM 2794 C CG . LEU A 1 13 ? -4.500 -2.072 -3.373 1.0 0.93 ? 13 LEU A CG 7 13 . A ATOM 2795 C CD1 . LEU A 1 13 ? -5.564 -1.766 -2.326 1.0 1.5 ? 13 LEU A CD1 7 13 . A ATOM 2796 C CD2 . LEU A 1 13 ? -5.101 -2.859 -4.528 1.0 1.2 ? 13 LEU A CD2 7 13 . A ATOM 2797 H H . LEU A 1 13 ? -2.168 1.613 -3.909 1.0 0.8 ? 13 LEU A H 7 13 . A ATOM 2798 H HA . LEU A 1 13 ? -2.822 -0.532 -2.021 1.0 0.77 ? 13 LEU A HA 7 13 . A ATOM 2799 H HB2 . LEU A 1 13 ? -4.602 -0.007 -3.914 1.0 1.04 ? 13 LEU A HB2 7 13 . A ATOM 2800 H HB3 . LEU A 1 13 ? -3.505 -0.959 -4.894 1.0 0.87 ? 13 LEU A HB3 7 13 . A ATOM 2801 H HG . LEU A 1 13 ? -3.743 -2.687 -2.907 1.0 1.14 ? 13 LEU A HG 7 13 . A ATOM 2802 H HD11 . LEU A 1 13 ? -6.013 -2.688 -1.989 1.0 1.65 ? 13 LEU A HD11 7 13 . A ATOM 2803 H HD12 . LEU A 1 13 ? -6.323 -1.132 -2.759 1.0 1.79 ? 13 LEU A HD12 7 13 . A ATOM 2804 H HD13 . LEU A 1 13 ? -5.108 -1.260 -1.487 1.0 1.82 ? 13 LEU A HD13 7 13 . A ATOM 2805 H HD21 . LEU A 1 13 ? -5.840 -2.254 -5.031 1.0 1.54 ? 13 LEU A HD21 7 13 . A ATOM 2806 H HD22 . LEU A 1 13 ? -5.568 -3.756 -4.147 1.0 1.48 ? 13 LEU A HD22 7 13 . A ATOM 2807 H HD23 . LEU A 1 13 ? -4.321 -3.129 -5.225 1.0 1.47 ? 13 LEU A HD23 7 13 . A ATOM 2808 N N . PRO A 1 14 ? -0.731 -0.521 -4.686 1.0 0.71 ? 14 PRO A N 7 14 . A ATOM 2809 C CA . PRO A 1 14 ? 0.517 -1.138 -5.187 1.0 0.73 ? 14 PRO A CA 7 14 . A ATOM 2810 C C . PRO A 1 14 ? 1.780 -0.652 -4.460 1.0 0.75 ? 14 PRO A C 7 14 . A ATOM 2811 O O . PRO A 1 14 ? 2.855 -1.239 -4.624 1.0 0.92 ? 14 PRO A O 7 14 . A ATOM 2812 C CB . PRO A 1 14 ? 0.569 -0.712 -6.668 1.0 0.85 ? 14 PRO A CB 7 14 . A ATOM 2813 C CG . PRO A 1 14 ? -0.706 0.022 -6.938 1.0 0.91 ? 14 PRO A CG 7 14 . A ATOM 2814 C CD . PRO A 1 14 ? -1.166 0.548 -5.612 1.0 0.81 ? 14 PRO A CD 7 14 . A ATOM 2815 H HA . PRO A 1 14 ? 0.469 -2.215 -5.126 1.0 0.7 ? 14 PRO A HA 7 14 . A ATOM 2816 H HB2 . PRO A 1 14 ? 1.425 -0.069 -6.829 1.0 0.9 ? 14 PRO A HB2 7 14 . A ATOM 2817 H HB3 . PRO A 1 14 ? 0.636 -1.583 -7.301 1.0 0.93 ? 14 PRO A HB3 7 14 . A ATOM 2818 H HG2 . PRO A 1 14 ? -0.524 0.836 -7.627 1.0 1.08 ? 14 PRO A HG2 7 14 . A ATOM 2819 H HG3 . PRO A 1 14 ? -1.445 -0.654 -7.340 1.0 1.01 ? 14 PRO A HG3 7 14 . A ATOM 2820 H HD2 . PRO A 1 14 ? -0.675 1.484 -5.385 1.0 0.9 ? 14 PRO A HD2 7 14 . A ATOM 2821 H HD3 . PRO A 1 14 ? -2.237 0.666 -5.597 1.0 0.84 ? 14 PRO A HD3 7 14 . A ATOM 2822 N N . ALA A 1 15 ? 1.639 0.414 -3.654 1.0 0.67 ? 15 ALA A N 7 15 . A ATOM 2823 C CA . ALA A 1 15 ? 2.762 0.991 -2.900 1.0 0.73 ? 15 ALA A CA 7 15 . A ATOM 2824 C C . ALA A 1 15 ? 3.200 0.088 -1.741 1.0 0.73 ? 15 ALA A C 7 15 . A ATOM 2825 O O . ALA A 1 15 ? 4.399 -0.077 -1.496 1.0 0.88 ? 15 ALA A O 7 15 . A ATOM 2826 C CB . ALA A 1 15 ? 2.394 2.375 -2.383 1.0 0.8 ? 15 ALA A CB 7 15 . A ATOM 2827 H H . ALA A 1 15 ? 0.753 0.825 -3.568 1.0 0.63 ? 15 ALA A H 7 15 . A ATOM 2828 H HA . ALA A 1 15 ? 3.592 1.102 -3.582 1.0 0.77 ? 15 ALA A HA 7 15 . A ATOM 2829 H HB1 . ALA A 1 15 ? 2.085 2.997 -3.210 1.0 0.79 ? 15 ALA A HB1 7 15 . A ATOM 2830 H HB2 . ALA A 1 15 ? 3.252 2.818 -1.900 1.0 0.92 ? 15 ALA A HB2 7 15 . A ATOM 2831 H HB3 . ALA A 1 15 ? 1.584 2.291 -1.673 1.0 0.78 ? 15 ALA A HB3 7 15 . A ATOM 2832 N N . LEU A 1 16 ? 2.216 -0.504 -1.043 1.0 0.64 ? 16 LEU A N 7 16 . A ATOM 2833 C CA . LEU A 1 16 ? 2.482 -1.404 0.089 1.0 0.67 ? 16 LEU A CA 7 16 . A ATOM 2834 C C . LEU A 1 16 ? 3.044 -2.747 -0.388 1.0 0.63 ? 16 LEU A C 7 16 . A ATOM 2835 O O . LEU A 1 16 ? 3.918 -3.326 0.265 1.0 0.76 ? 16 LEU A O 7 16 . A ATOM 2836 C CB . LEU A 1 16 ? 1.201 -1.633 0.902 1.0 0.75 ? 16 LEU A CB 7 16 . A ATOM 2837 C CG . LEU A 1 16 ? 0.688 -0.419 1.687 1.0 0.96 ? 16 LEU A CG 7 16 . A ATOM 2838 C CD1 . LEU A 1 16 ? -0.220 0.447 0.821 1.0 1.2 ? 16 LEU A CD1 7 16 . A ATOM 2839 C CD2 . LEU A 1 16 ? -0.044 -0.870 2.941 1.0 1.23 ? 16 LEU A CD2 7 16 . A ATOM 2840 H H . LEU A 1 16 ? 1.286 -0.328 -1.298 1.0 0.63 ? 16 LEU A H 7 16 . A ATOM 2841 H HA . LEU A 1 16 ? 3.216 -0.927 0.721 1.0 0.72 ? 16 LEU A HA 7 16 . A ATOM 2842 H HB2 . LEU A 1 16 ? 0.422 -1.948 0.222 1.0 0.81 ? 16 LEU A HB2 7 16 . A ATOM 2843 H HB3 . LEU A 1 16 ? 1.386 -2.433 1.603 1.0 0.95 ? 16 LEU A HB3 7 16 . A ATOM 2844 H HG . LEU A 1 16 ? 1.531 0.185 1.991 1.0 1.21 ? 16 LEU A HG 7 16 . A ATOM 2845 H HD11 . LEU A 1 16 ? -0.578 1.284 1.401 1.0 1.66 ? 16 LEU A HD11 7 16 . A ATOM 2846 H HD12 . LEU A 1 16 ? -1.060 -0.141 0.481 1.0 1.38 ? 16 LEU A HD12 7 16 . A ATOM 2847 H HD13 . LEU A 1 16 ? 0.335 0.810 -0.031 1.0 1.32 ? 16 LEU A HD13 7 16 . A ATOM 2848 H HD21 . LEU A 1 16 ? -0.868 -1.512 2.666 1.0 1.24 ? 16 LEU A HD21 7 16 . A ATOM 2849 H HD22 . LEU A 1 16 ? -0.421 -0.006 3.468 1.0 1.49 ? 16 LEU A HD22 7 16 . A ATOM 2850 H HD23 . LEU A 1 16 ? 0.637 -1.413 3.580 1.0 1.81 ? 16 LEU A HD23 7 16 . A ATOM 2851 N N . ILE A 1 17 ? 2.546 -3.216 -1.546 1.0 0.53 ? 17 ILE A N 7 17 . A ATOM 2852 C CA . ILE A 1 17 ? 2.983 -4.488 -2.151 1.0 0.52 ? 17 ILE A CA 7 17 . A ATOM 2853 C C . ILE A 1 17 ? 4.420 -4.364 -2.691 1.0 0.53 ? 17 ILE A C 7 17 . A ATOM 2854 O O . ILE A 1 17 ? 5.224 -5.295 -2.559 1.0 0.63 ? 17 ILE A O 7 17 . A ATOM 2855 C CB . ILE A 1 17 ? 2.026 -4.946 -3.308 1.0 0.54 ? 17 ILE A CB 7 17 . A ATOM 2856 C CG1 . ILE A 1 17 ? 0.522 -4.699 -2.975 1.0 0.6 ? 17 ILE A CG1 7 17 . A ATOM 2857 C CG2 . ILE A 1 17 ? 2.261 -6.419 -3.674 1.0 0.58 ? 17 ILE A CG2 7 17 . A ATOM 2858 C CD1 . ILE A 1 17 ? 0.006 -5.330 -1.682 1.0 0.64 ? 17 ILE A CD1 7 17 . A ATOM 2859 H H . ILE A 1 17 ? 1.860 -2.689 -2.007 1.0 0.54 ? 17 ILE A H 7 17 . A ATOM 2860 H HA . ILE A 1 17 ? 2.964 -5.244 -1.379 1.0 0.55 ? 17 ILE A HA 7 17 . A ATOM 2861 H HB . ILE A 1 17 ? 2.280 -4.360 -4.180 1.0 0.55 ? 17 ILE A HB 7 17 . A ATOM 2862 H HG12 . ILE A 1 17 ? 0.356 -3.635 -2.899 1.0 0.61 ? 17 ILE A HG12 7 17 . A ATOM 2863 H HG13 . ILE A 1 17 ? -0.078 -5.084 -3.789 1.0 0.64 ? 17 ILE A HG13 7 17 . A ATOM 2864 H HG21 . ILE A 1 17 ? 1.563 -6.715 -4.444 1.0 1.05 ? 17 ILE A HG21 7 17 . A ATOM 2865 H HG22 . ILE A 1 17 ? 2.115 -7.036 -2.800 1.0 1.42 ? 17 ILE A HG22 7 17 . A ATOM 2866 H HG23 . ILE A 1 17 ? 3.271 -6.542 -4.037 1.0 1.01 ? 17 ILE A HG23 7 17 . A ATOM 2867 H HD11 . ILE A 1 17 ? 0.132 -6.402 -1.730 1.0 1.2 ? 17 ILE A HD11 7 17 . A ATOM 2868 H HD12 . ILE A 1 17 ? -1.041 -5.096 -1.558 1.0 1.2 ? 17 ILE A HD12 7 17 . A ATOM 2869 H HD13 . ILE A 1 17 ? 0.564 -4.939 -0.843 1.0 1.23 ? 17 ILE A HD13 7 17 . A ATOM 2870 N N . SER A 1 18 ? 4.729 -3.196 -3.281 1.0 0.53 ? 18 SER A N 7 18 . A ATOM 2871 C CA . SER A 1 18 ? 6.060 -2.916 -3.837 1.0 0.6 ? 18 SER A CA 7 18 . A ATOM 2872 C C . SER A 1 18 ? 7.095 -2.685 -2.728 1.0 0.59 ? 18 SER A C 7 18 . A ATOM 2873 O O . SER A 1 18 ? 8.272 -3.021 -2.891 1.0 0.88 ? 18 SER A O 7 18 . A ATOM 2874 C CB . SER A 1 18 ? 6.004 -1.695 -4.757 1.0 0.73 ? 18 SER A CB 7 18 . A ATOM 2875 O OG . SER A 1 18 ? 5.154 -1.929 -5.867 1.0 0.8 ? 18 SER A OG 7 18 . A ATOM 2876 H H . SER A 1 18 ? 4.038 -2.504 -3.344 1.0 0.57 ? 18 SER A H 7 18 . A ATOM 2877 H HA . SER A 1 18 ? 6.362 -3.776 -4.417 1.0 0.63 ? 18 SER A HA 7 18 . A ATOM 2878 H HB2 . SER A 1 18 ? 5.626 -0.848 -4.204 1.0 0.74 ? 18 SER A HB2 7 18 . A ATOM 2879 H HB3 . SER A 1 18 ? 6.997 -1.474 -5.119 1.0 0.81 ? 18 SER A HB3 7 18 . A ATOM 2880 H HG . SER A 1 18 ? 4.889 -2.852 -5.879 1.0 1.1 ? 18 SER A HG 7 18 . A ATOM 2881 N N . TRP A 1 19 ? 6.635 -2.121 -1.596 1.0 0.49 ? 19 TRP A N 7 19 . A ATOM 2882 C CA . TRP A 1 19 ? 7.502 -1.848 -0.442 1.0 0.54 ? 19 TRP A CA 7 19 . A ATOM 2883 C C . TRP A 1 19 ? 7.848 -3.135 0.318 1.0 0.5 ? 19 TRP A C 7 19 . A ATOM 2884 O O . TRP A 1 19 ? 8.980 -3.295 0.791 1.0 0.59 ? 19 TRP A O 7 19 . A ATOM 2885 C CB . TRP A 1 19 ? 6.836 -0.840 0.500 1.0 0.68 ? 19 TRP A CB 7 19 . A ATOM 2886 C CG . TRP A 1 19 ? 7.274 0.579 0.262 1.0 0.62 ? 19 TRP A CG 7 19 . A ATOM 2887 C CD1 . TRP A 1 19 ? 6.871 1.411 -0.746 1.0 0.96 ? 19 TRP A CD1 7 19 . A ATOM 2888 C CD2 . TRP A 1 19 ? 8.201 1.339 1.042 1.0 0.63 ? 19 TRP A CD2 7 19 . A ATOM 2889 N NE1 . TRP A 1 19 ? 7.499 2.636 -0.637 1.0 1.09 ? 19 TRP A NE1 7 19 . A ATOM 2890 C CE2 . TRP A 1 19 ? 8.324 2.630 0.461 1.0 0.9 ? 19 TRP A CE2 7 19 . A ATOM 2891 C CE3 . TRP A 1 19 ? 8.972 1.083 2.200 1.0 0.84 ? 19 TRP A CE3 7 19 . A ATOM 2892 C CZ2 . TRP A 1 19 ? 9.152 3.655 0.961 1.0 1.16 ? 19 TRP A CZ2 7 19 . A ATOM 2893 C CZ3 . TRP A 1 19 ? 9.801 2.073 2.709 1.0 1.15 ? 19 TRP A CZ3 7 19 . A ATOM 2894 C CH2 . TRP A 1 19 ? 9.899 3.362 2.101 1.0 1.24 ? 19 TRP A CH2 7 19 . A ATOM 2895 H H . TRP A 1 19 ? 5.686 -1.884 -1.539 1.0 0.6 ? 19 TRP A H 7 19 . A ATOM 2896 H HA . TRP A 1 19 ? 8.418 -1.417 -0.818 1.0 0.59 ? 19 TRP A HA 7 19 . A ATOM 2897 H HB2 . TRP A 1 19 ? 5.765 -0.885 0.367 1.0 0.97 ? 19 TRP A HB2 7 19 . A ATOM 2898 H HB3 . TRP A 1 19 ? 7.078 -1.098 1.521 1.0 0.79 ? 19 TRP A HB3 7 19 . A ATOM 2899 H HD1 . TRP A 1 19 ? 6.167 1.134 -1.517 1.0 1.22 ? 19 TRP A HD1 7 19 . A ATOM 2900 H HE1 . TRP A 1 19 ? 7.373 3.395 -1.243 1.0 1.4 ? 19 TRP A HE1 7 19 . A ATOM 2901 H HE3 . TRP A 1 19 ? 8.928 0.115 2.676 1.0 0.96 ? 19 TRP A HE3 7 19 . A ATOM 2902 H HZ2 . TRP A 1 19 ? 9.218 4.616 0.474 1.0 1.42 ? 19 TRP A HZ2 7 19 . A ATOM 2903 H HZ3 . TRP A 1 19 ? 10.381 1.867 3.596 1.0 1.44 ? 19 TRP A HZ3 7 19 . A ATOM 2904 H HH2 . TRP A 1 19 ? 10.548 4.112 2.529 1.0 1.52 ? 19 TRP A HH2 7 19 . A ATOM 2905 N N . ILE A 1 20 ? 6.870 -4.056 0.413 1.0 0.52 ? 20 ILE A N 7 20 . A ATOM 2906 C CA . ILE A 1 20 ? 7.074 -5.347 1.100 1.0 0.56 ? 20 ILE A CA 7 20 . A ATOM 2907 C C . ILE A 1 20 ? 7.904 -6.313 0.239 1.0 0.59 ? 20 ILE A C 7 20 . A ATOM 2908 O O . ILE A 1 20 ? 8.685 -7.107 0.769 1.0 0.75 ? 20 ILE A O 7 20 . A ATOM 2909 C CB . ILE A 1 20 ? 5.735 -6.033 1.523 1.0 0.71 ? 20 ILE A CB 7 20 . A ATOM 2910 C CG1 . ILE A 1 20 ? 4.762 -6.199 0.342 1.0 0.93 ? 20 ILE A CG1 7 20 . A ATOM 2911 C CG2 . ILE A 1 20 ? 5.068 -5.256 2.651 1.0 1.12 ? 20 ILE A CG2 7 20 . A ATOM 2912 C CD1 . ILE A 1 20 ? 4.778 -7.587 -0.263 1.0 1.33 ? 20 ILE A CD1 7 20 . A ATOM 2913 H H . ILE A 1 20 ? 5.997 -3.864 0.013 1.0 0.58 ? 20 ILE A H 7 20 . A ATOM 2914 H HA . ILE A 1 20 ? 7.635 -5.138 2.002 1.0 0.57 ? 20 ILE A HA 7 20 . A ATOM 2915 H HB . ILE A 1 20 ? 5.981 -7.012 1.909 1.0 1.0 ? 20 ILE A HB 7 20 . A ATOM 2916 H HG12 . ILE A 1 20 ? 3.757 -5.997 0.680 1.0 1.04 ? 20 ILE A HG12 7 20 . A ATOM 2917 H HG13 . ILE A 1 20 ? 5.027 -5.495 -0.433 1.0 1.17 ? 20 ILE A HG13 7 20 . A ATOM 2918 H HG21 . ILE A 1 20 ? 5.728 -5.222 3.505 1.0 1.42 ? 20 ILE A HG21 7 20 . A ATOM 2919 H HG22 . ILE A 1 20 ? 4.146 -5.745 2.928 1.0 1.21 ? 20 ILE A HG22 7 20 . A ATOM 2920 H HG23 . ILE A 1 20 ? 4.856 -4.250 2.319 1.0 1.32 ? 20 ILE A HG23 7 20 . A ATOM 2921 H HD11 . ILE A 1 20 ? 4.161 -7.600 -1.150 1.0 1.7 ? 20 ILE A HD11 7 20 . A ATOM 2922 H HD12 . ILE A 1 20 ? 4.391 -8.296 0.454 1.0 1.35 ? 20 ILE A HD12 7 20 . A ATOM 2923 H HD13 . ILE A 1 20 ? 5.791 -7.854 -0.524 1.0 1.51 ? 20 ILE A HD13 7 20 . A ATOM 2924 N N . LYS A 1 21 ? 7.725 -6.223 -1.093 1.0 0.54 ? 21 LYS A N 7 21 . A ATOM 2925 C CA . LYS A 1 21 ? 8.459 -7.068 -2.049 1.0 0.66 ? 21 LYS A CA 7 21 . A ATOM 2926 C C . LYS A 1 21 ? 9.914 -6.607 -2.198 1.0 0.6 ? 21 LYS A C 7 21 . A ATOM 2927 O O . LYS A 1 21 ? 10.817 -7.432 -2.377 1.0 0.7 ? 21 LYS A O 7 21 . A ATOM 2928 C CB . LYS A 1 21 ? 7.772 -7.058 -3.418 1.0 0.79 ? 21 LYS A CB 7 21 . A ATOM 2929 C CG . LYS A 1 21 ? 6.537 -7.941 -3.490 1.0 1.01 ? 21 LYS A CG 7 21 . A ATOM 2930 C CD . LYS A 1 21 ? 5.972 -7.998 -4.900 1.0 1.03 ? 21 LYS A CD 7 21 . A ATOM 2931 C CE . LYS A 1 21 ? 4.828 -8.994 -5.001 1.0 1.13 ? 21 LYS A CE 7 21 . A ATOM 2932 N NZ . LYS A 1 21 ? 4.239 -9.026 -6.368 1.0 1.58 1 21 LYS A NZ 7 21 . A ATOM 2933 H H . LYS A 1 21 ? 7.081 -5.571 -1.439 1.0 0.52 ? 21 LYS A H 7 21 . A ATOM 2934 H HA . LYS A 1 21 ? 8.456 -8.077 -1.665 1.0 0.75 ? 21 LYS A HA 7 21 . A ATOM 2935 H HB2 . LYS A 1 21 ? 7.477 -6.045 -3.653 1.0 1.0 ? 21 LYS A HB2 7 21 . A ATOM 2936 H HB3 . LYS A 1 21 ? 8.475 -7.400 -4.163 1.0 0.9 ? 21 LYS A HB3 7 21 . A ATOM 2937 H HG2 . LYS A 1 21 ? 6.802 -8.940 -3.178 1.0 1.29 ? 21 LYS A HG2 7 21 . A ATOM 2938 H HG3 . LYS A 1 21 ? 5.784 -7.543 -2.826 1.0 1.39 ? 21 LYS A HG3 7 21 . A ATOM 2939 H HD2 . LYS A 1 21 ? 5.608 -7.018 -5.171 1.0 1.28 ? 21 LYS A HD2 7 21 . A ATOM 2940 H HD3 . LYS A 1 21 ? 6.758 -8.293 -5.580 1.0 1.06 ? 21 LYS A HD3 7 21 . A ATOM 2941 H HE2 . LYS A 1 21 ? 5.202 -9.977 -4.757 1.0 1.11 ? 21 LYS A HE2 7 21 . A ATOM 2942 H HE3 . LYS A 1 21 ? 4.062 -8.716 -4.293 1.0 1.19 ? 21 LYS A HE3 7 21 . A ATOM 2943 H HZ1 . LYS A 1 21 ? 3.448 -9.702 -6.400 1.0 1.84 ? 21 LYS A HZ1 7 21 . A ATOM 2944 H HZ2 . LYS A 1 21 ? 4.957 -9.319 -7.061 1.0 1.52 ? 21 LYS A HZ2 7 21 . A ATOM 2945 H HZ3 . LYS A 1 21 ? 3.886 -8.083 -6.628 1.0 2.1 ? 21 LYS A HZ3 7 21 . A ATOM 2946 N N . ARG A 1 22 ? 10.126 -5.282 -2.111 1.0 0.56 ? 22 ARG A N 7 22 . A ATOM 2947 C CA . ARG A 1 22 ? 11.467 -4.690 -2.218 1.0 0.56 ? 22 ARG A CA 7 22 . A ATOM 2948 C C . ARG A 1 22 ? 12.248 -4.834 -0.906 1.0 0.52 ? 22 ARG A C 7 22 . A ATOM 2949 O O . ARG A 1 22 ? 13.481 -4.909 -0.920 1.0 0.66 ? 22 ARG A O 7 22 . A ATOM 2950 C CB . ARG A 1 22 ? 11.372 -3.213 -2.610 1.0 0.63 ? 22 ARG A CB 7 22 . A ATOM 2951 C CG . ARG A 1 22 ? 11.099 -2.994 -4.090 1.0 0.92 ? 22 ARG A CG 7 22 . A ATOM 2952 C CD . ARG A 1 22 ? 11.117 -1.517 -4.447 1.0 1.04 ? 22 ARG A CD 7 22 . A ATOM 2953 N NE . ARG A 1 22 ? 10.887 -1.295 -5.879 1.0 1.25 ? 22 ARG A NE 7 22 . A ATOM 2954 C CZ . ARG A 1 22 ? 11.131 -0.145 -6.524 1.0 1.56 ? 22 ARG A CZ 7 22 . A ATOM 2955 N NH1 . ARG A 1 22 ? 11.619 0.915 -5.881 1.0 1.61 1 22 ARG A NH1 7 22 . A ATOM 2956 N NH2 . ARG A 1 22 ? 10.886 -0.059 -7.824 1.0 2.06 ? 22 ARG A NH2 7 22 . A ATOM 2957 H H . ARG A 1 22 ? 9.359 -4.689 -1.972 1.0 0.61 ? 22 ARG A H 7 22 . A ATOM 2958 H HA . ARG A 1 22 ? 11.998 -5.222 -2.993 1.0 0.67 ? 22 ARG A HA 7 22 . A ATOM 2959 H HB2 . ARG A 1 22 ? 10.575 -2.753 -2.046 1.0 0.98 ? 22 ARG A HB2 7 22 . A ATOM 2960 H HB3 . ARG A 1 22 ? 12.304 -2.726 -2.362 1.0 0.82 ? 22 ARG A HB3 7 22 . A ATOM 2961 H HG2 . ARG A 1 22 ? 11.858 -3.502 -4.665 1.0 1.19 ? 22 ARG A HG2 7 22 . A ATOM 2962 H HG3 . ARG A 1 22 ? 10.128 -3.402 -4.331 1.0 1.48 ? 22 ARG A HG3 7 22 . A ATOM 2963 H HD2 . ARG A 1 22 ? 10.344 -1.014 -3.886 1.0 1.28 ? 22 ARG A HD2 7 22 . A ATOM 2964 H HD3 . ARG A 1 22 ? 12.080 -1.107 -4.180 1.0 1.34 ? 22 ARG A HD3 7 22 . A ATOM 2965 H HE . ARG A 1 22 ? 10.528 -2.048 -6.395 1.0 1.43 ? 22 ARG A HE 7 22 . A ATOM 2966 H HH11 . ARG A 1 22 ? 11.809 0.862 -4.901 1.0 1.53 ? 22 ARG A HH11 7 22 . A ATOM 2967 H HH12 . ARG A 1 22 ? 11.795 1.764 -6.380 1.0 1.91 ? 22 ARG A HH12 7 22 . A ATOM 2968 H HH21 . ARG A 1 22 ? 10.521 -0.849 -8.317 1.0 2.25 ? 22 ARG A HH21 7 22 . A ATOM 2969 H HH22 . ARG A 1 22 ? 11.066 0.795 -8.311 1.0 2.34 ? 22 ARG A HH22 7 22 . A ATOM 2970 N N . LYS A 1 23 ? 11.517 -4.879 0.220 1.0 0.54 ? 23 LYS A N 7 23 . A ATOM 2971 C CA . LYS A 1 23 ? 12.127 -5.032 1.547 1.0 0.58 ? 23 LYS A CA 7 23 . A ATOM 2972 C C . LYS A 1 23 ? 12.357 -6.507 1.900 1.0 0.55 ? 23 LYS A C 7 23 . A ATOM 2973 O O . LYS A 1 23 ? 13.153 -6.817 2.791 1.0 0.59 ? 23 LYS A O 7 23 . A ATOM 2974 C CB . LYS A 1 23 ? 11.256 -4.372 2.616 1.0 0.76 ? 23 LYS A CB 7 23 . A ATOM 2975 C CG . LYS A 1 23 ? 11.466 -2.871 2.725 1.0 0.87 ? 23 LYS A CG 7 23 . A ATOM 2976 C CD . LYS A 1 23 ? 10.630 -2.271 3.845 1.0 0.92 ? 23 LYS A CD 7 23 . A ATOM 2977 C CE . LYS A 1 23 ? 11.033 -0.833 4.138 1.0 1.04 ? 23 LYS A CE 7 23 . A ATOM 2978 N NZ . LYS A 1 23 ? 12.308 -0.752 4.905 1.0 1.28 1 23 LYS A NZ 7 23 . A ATOM 2979 H H . LYS A 1 23 ? 10.542 -4.808 0.154 1.0 0.65 ? 23 LYS A H 7 23 . A ATOM 2980 H HA . LYS A 1 23 ? 13.084 -4.533 1.524 1.0 0.61 ? 23 LYS A HA 7 23 . A ATOM 2981 H HB2 . LYS A 1 23 ? 10.217 -4.553 2.382 1.0 0.93 ? 23 LYS A HB2 7 23 . A ATOM 2982 H HB3 . LYS A 1 23 ? 11.484 -4.815 3.574 1.0 0.93 ? 23 LYS A HB3 7 23 . A ATOM 2983 H HG2 . LYS A 1 23 ? 12.509 -2.677 2.924 1.0 1.19 ? 23 LYS A HG2 7 23 . A ATOM 2984 H HG3 . LYS A 1 23 ? 11.184 -2.410 1.790 1.0 1.25 ? 23 LYS A HG3 7 23 . A ATOM 2985 H HD2 . LYS A 1 23 ? 9.590 -2.290 3.553 1.0 1.26 ? 23 LYS A HD2 7 23 . A ATOM 2986 H HD3 . LYS A 1 23 ? 10.765 -2.863 4.738 1.0 1.17 ? 23 LYS A HD3 7 23 . A ATOM 2987 H HE2 . LYS A 1 23 ? 11.155 -0.310 3.201 1.0 1.4 ? 23 LYS A HE2 7 23 . A ATOM 2988 H HE3 . LYS A 1 23 ? 10.247 -0.363 4.711 1.0 1.42 ? 23 LYS A HE3 7 23 . A ATOM 2989 H HZ1 . LYS A 1 23 ? 12.205 -1.232 5.822 1.0 1.46 ? 23 LYS A HZ1 7 23 . A ATOM 2990 H HZ2 . LYS A 1 23 ? 12.561 0.242 5.074 1.0 1.73 ? 23 LYS A HZ2 7 23 . A ATOM 2991 H HZ3 . LYS A 1 23 ? 13.076 -1.207 4.371 1.0 1.85 ? 23 LYS A HZ3 7 23 . A ATOM 2992 N N . ARG A 1 24 ? 11.653 -7.405 1.195 1.0 0.6 ? 24 ARG A N 7 24 . A ATOM 2993 C CA . ARG A 1 24 ? 11.781 -8.850 1.413 1.0 0.7 ? 24 ARG A CA 7 24 . A ATOM 2994 C C . ARG A 1 24 ? 12.813 -9.459 0.454 1.0 0.66 ? 24 ARG A C 7 24 . A ATOM 2995 O O . ARG A 1 24 ? 13.493 -10.428 0.802 1.0 0.76 ? 24 ARG A O 7 24 . A ATOM 2996 C CB . ARG A 1 24 ? 10.424 -9.538 1.229 1.0 0.89 ? 24 ARG A CB 7 24 . A ATOM 2997 C CG . ARG A 1 24 ? 10.235 -10.777 2.095 1.0 1.36 ? 24 ARG A CG 7 24 . A ATOM 2998 C CD . ARG A 1 24 ? 8.899 -11.448 1.821 1.0 1.41 ? 24 ARG A CD 7 24 . A ATOM 2999 N NE . ARG A 1 24 ? 8.720 -12.664 2.622 1.0 1.42 ? 24 ARG A NE 7 24 . A ATOM 3000 C CZ . ARG A 1 24 ? 7.700 -13.525 2.487 1.0 1.54 ? 24 ARG A CZ 7 24 . A ATOM 3001 N NH1 . ARG A 1 24 ? 6.744 -13.323 1.581 1.0 1.76 1 24 ARG A NH1 7 24 . A ATOM 3002 N NH2 . ARG A 1 24 ? 7.639 -14.595 3.267 1.0 1.78 ? 24 ARG A NH2 7 24 . A ATOM 3003 H H . ARG A 1 24 ? 11.031 -7.085 0.509 1.0 0.65 ? 24 ARG A H 7 24 . A ATOM 3004 H HA . ARG A 1 24 ? 12.118 -9.003 2.428 1.0 0.76 ? 24 ARG A HA 7 24 . A ATOM 3005 H HB2 . ARG A 1 24 ? 9.642 -8.835 1.473 1.0 0.92 ? 24 ARG A HB2 7 24 . A ATOM 3006 H HB3 . ARG A 1 24 ? 10.320 -9.831 0.194 1.0 1.17 ? 24 ARG A HB3 7 24 . A ATOM 3007 H HG2 . ARG A 1 24 ? 11.028 -11.478 1.882 1.0 1.78 ? 24 ARG A HG2 7 24 . A ATOM 3008 H HG3 . ARG A 1 24 ? 10.277 -10.488 3.135 1.0 1.59 ? 24 ARG A HG3 7 24 . A ATOM 3009 H HD2 . ARG A 1 24 ? 8.107 -10.753 2.058 1.0 1.52 ? 24 ARG A HD2 7 24 . A ATOM 3010 H HD3 . ARG A 1 24 ? 8.849 -11.707 0.774 1.0 1.59 ? 24 ARG A HD3 7 24 . A ATOM 3011 H HE . ARG A 1 24 ? 9.400 -12.855 3.301 1.0 1.58 ? 24 ARG A HE 7 24 . A ATOM 3012 H HH11 . ARG A 1 24 ? 6.779 -12.520 0.986 1.0 1.84 ? 24 ARG A HH11 7 24 . A ATOM 3013 H HH12 . ARG A 1 24 ? 5.991 -13.976 1.495 1.0 2.01 ? 24 ARG A HH12 7 24 . A ATOM 3014 H HH21 . ARG A 1 24 ? 8.350 -14.756 3.951 1.0 1.94 ? 24 ARG A HH21 7 24 . A ATOM 3015 H HH22 . ARG A 1 24 ? 6.881 -15.240 3.172 1.0 1.96 ? 24 ARG A HH22 7 24 . A ATOM 3016 N N . GLN A 1 25 ? 12.917 -8.877 -0.751 1.0 0.59 ? 25 GLN A N 7 25 . A ATOM 3017 C CA . GLN A 1 25 ? 13.861 -9.346 -1.772 1.0 0.62 ? 25 GLN A CA 7 25 . A ATOM 3018 C C . GLN A 1 25 ? 15.222 -8.656 -1.635 1.0 0.58 ? 25 GLN A C 7 25 . A ATOM 3019 O O . GLN A 1 25 ? 16.265 -9.305 -1.764 1.0 0.68 ? 25 GLN A O 7 25 . A ATOM 3020 C CB . GLN A 1 25 ? 13.294 -9.110 -3.177 1.0 0.7 ? 25 GLN A CB 7 25 . A ATOM 3021 C CG . GLN A 1 25 ? 12.166 -10.066 -3.554 1.0 1.11 ? 25 GLN A CG 7 25 . A ATOM 3022 C CD . GLN A 1 25 ? 11.610 -9.827 -4.951 1.0 1.18 ? 25 GLN A CD 7 25 . A ATOM 3023 O OE1 . GLN A 1 25 ? 12.332 -9.438 -5.874 1.0 1.5 ? 25 GLN A OE1 7 25 . A ATOM 3024 N NE2 . GLN A 1 25 ? 10.313 -10.061 -5.113 1.0 1.28 ? 25 GLN A NE2 7 25 . A ATOM 3025 H H . GLN A 1 25 ? 12.341 -8.111 -0.957 1.0 0.59 ? 25 GLN A H 7 25 . A ATOM 3026 H HA . GLN A 1 25 ? 13.997 -10.407 -1.626 1.0 0.73 ? 25 GLN A HA 7 25 . A ATOM 3027 H HB2 . GLN A 1 25 ? 12.915 -8.100 -3.234 1.0 0.73 ? 25 GLN A HB2 7 25 . A ATOM 3028 H HB3 . GLN A 1 25 ? 14.090 -9.226 -3.897 1.0 1.04 ? 25 GLN A HB3 7 25 . A ATOM 3029 H HG2 . GLN A 1 25 ? 12.541 -11.077 -3.504 1.0 1.51 ? 25 GLN A HG2 7 25 . A ATOM 3030 H HG3 . GLN A 1 25 ? 11.364 -9.948 -2.840 1.0 1.3 ? 25 GLN A HG3 7 25 . A ATOM 3031 H HE21 . GLN A 1 25 ? 9.798 -10.368 -4.337 1.0 1.53 ? 25 GLN A HE21 7 25 . A ATOM 3032 H HE22 . GLN A 1 25 ? 9.924 -9.917 -6.000 1.0 1.31 ? 25 GLN A HE22 7 25 . A ATOM 3033 N N . GLN A 1 26 ? 15.198 -7.343 -1.370 1.0 0.55 ? 26 GLN A N 7 26 . A ATOM 3034 C CA . GLN A 1 26 ? 16.424 -6.556 -1.209 1.0 0.64 ? 26 GLN A CA 7 26 . A ATOM 3035 C C . GLN A 1 26 ? 16.625 -6.143 0.251 1.0 0.76 ? 26 GLN A C 7 26 . A ATOM 3036 O O . GLN A 1 26 ? 17.697 -6.339 0.823 1.0 0.87 ? 26 GLN A O 7 26 . A ATOM 3037 C CB . GLN A 1 26 ? 16.396 -5.317 -2.116 1.0 0.78 ? 26 GLN A CB 7 26 . A ATOM 3038 C CG . GLN A 1 26 ? 16.614 -5.628 -3.589 1.0 0.82 ? 26 GLN A CG 7 26 . A ATOM 3039 C CD . GLN A 1 26 ? 16.592 -4.386 -4.457 1.0 1.06 ? 26 GLN A CD 7 26 . A ATOM 3040 O OE1 . GLN A 1 26 ? 15.542 -3.981 -4.957 1.0 1.31 ? 26 GLN A OE1 7 26 . A ATOM 3041 N NE2 . GLN A 1 26 ? 17.755 -3.771 -4.639 1.0 1.13 ? 26 GLN A NE2 7 26 . A ATOM 3042 H H . GLN A 1 26 ? 14.332 -6.893 -1.284 1.0 0.55 ? 26 GLN A H 7 26 . A ATOM 3043 H HA . GLN A 1 26 ? 17.253 -7.182 -1.505 1.0 0.63 ? 26 GLN A HA 7 26 . A ATOM 3044 H HB2 . GLN A 1 26 ? 15.437 -4.831 -2.012 1.0 0.84 ? 26 GLN A HB2 7 26 . A ATOM 3045 H HB3 . GLN A 1 26 ? 17.171 -4.635 -1.796 1.0 0.89 ? 26 GLN A HB3 7 26 . A ATOM 3046 H HG2 . GLN A 1 26 ? 17.573 -6.111 -3.704 1.0 0.8 ? 26 GLN A HG2 7 26 . A ATOM 3047 H HG3 . GLN A 1 26 ? 15.833 -6.296 -3.922 1.0 0.78 ? 26 GLN A HG3 7 26 . A ATOM 3048 H HE21 . GLN A 1 26 ? 18.550 -4.150 -4.209 1.0 1.11 ? 26 GLN A HE21 7 26 . A ATOM 3049 H HE22 . GLN A 1 26 ? 17.771 -2.965 -5.196 1.0 1.29 ? 26 GLN A HE22 7 26 . A HETATM 3050 N N . NH2 A 1 27 ? 15.580 -5.571 0.847 1.0 0.84 ? 27 NH2 A N 7 27 . A HETATM 3051 H HN1 . NH2 A 1 27 ? 14.760 -5.448 0.325 1.0 0.81 ? 27 NH2 A HN1 7 27 . A HETATM 3052 H HN2 . NH2 A 1 27 ? 15.674 -5.296 1.783 1.0 0.97 ? 27 NH2 A HN2 7 27 . A ATOM 3053 N N . GLY A 1 1 ? -13.171 9.424 9.153 1.0 2.35 ? 1 GLY A N 8 1 . A ATOM 3054 C CA . GLY A 1 1 ? -14.311 8.466 9.121 1.0 1.58 ? 1 GLY A CA 8 1 . A ATOM 3055 C C . GLY A 1 1 ? -14.215 7.487 7.968 1.0 1.16 ? 1 GLY A C 8 1 . A ATOM 3056 O O . GLY A 1 1 ? -13.124 7.254 7.436 1.0 1.12 ? 1 GLY A O 8 1 . A ATOM 3057 H H1 . GLY A 1 1 ? -13.273 10.075 9.957 1.0 2.47 ? 1 GLY A H1 8 1 . A ATOM 3058 H H2 . GLY A 1 1 ? -13.145 9.979 8.274 1.0 2.69 ? 1 GLY A H2 8 1 . A ATOM 3059 H H3 . GLY A 1 1 ? -12.273 8.908 9.250 1.0 2.71 ? 1 GLY A H3 8 1 . A ATOM 3060 H HA2 . GLY A 1 1 ? -14.326 7.912 10.048 1.0 1.5 ? 1 GLY A HA2 8 1 . A ATOM 3061 H HA3 . GLY A 1 1 ? -15.232 9.023 9.032 1.0 1.88 ? 1 GLY A HA3 8 1 . A ATOM 3062 N N . ILE A 1 2 ? -15.372 6.928 7.572 1.0 1.2 ? 2 ILE A N 8 2 . A ATOM 3063 C CA . ILE A 1 2 ? -15.455 5.950 6.468 1.0 1.08 ? 2 ILE A CA 8 2 . A ATOM 3064 C C . ILE A 1 2 ? -15.003 6.547 5.125 1.0 1.43 ? 2 ILE A C 8 2 . A ATOM 3065 O O . ILE A 1 2 ? -14.354 5.867 4.324 1.0 2.45 ? 2 ILE A O 8 2 . A ATOM 3066 C CB . ILE A 1 2 ? -16.885 5.341 6.318 1.0 1.15 ? 2 ILE A CB 8 2 . A ATOM 3067 C CG1 . ILE A 1 2 ? -17.991 6.417 6.322 1.0 1.4 ? 2 ILE A CG1 8 2 . A ATOM 3068 C CG2 . ILE A 1 2 ? -17.142 4.326 7.423 1.0 1.45 ? 2 ILE A CG2 8 2 . A ATOM 3069 C CD1 . ILE A 1 2 ? -18.395 6.880 4.938 1.0 1.69 ? 2 ILE A CD1 8 2 . A ATOM 3070 H H . ILE A 1 2 ? -16.197 7.181 8.037 1.0 1.54 ? 2 ILE A H 8 2 . A ATOM 3071 H HA . ILE A 1 2 ? -14.783 5.140 6.714 1.0 1.12 ? 2 ILE A HA 8 2 . A ATOM 3072 H HB . ILE A 1 2 ? -16.918 4.811 5.377 1.0 1.36 ? 2 ILE A HB 8 2 . A ATOM 3073 H HG12 . ILE A 1 2 ? -18.870 6.018 6.805 1.0 1.59 ? 2 ILE A HG12 8 2 . A ATOM 3074 H HG13 . ILE A 1 2 ? -17.643 7.278 6.872 1.0 1.58 ? 2 ILE A HG13 8 2 . A ATOM 3075 H HG21 . ILE A 1 2 ? -18.134 3.913 7.309 1.0 1.73 ? 2 ILE A HG21 8 2 . A ATOM 3076 H HG22 . ILE A 1 2 ? -17.064 4.813 8.384 1.0 1.49 ? 2 ILE A HG22 8 2 . A ATOM 3077 H HG23 . ILE A 1 2 ? -16.412 3.534 7.361 1.0 1.68 ? 2 ILE A HG23 8 2 . A ATOM 3078 H HD11 . ILE A 1 2 ? -19.146 7.651 5.021 1.0 2.05 ? 2 ILE A HD11 8 2 . A ATOM 3079 H HD12 . ILE A 1 2 ? -18.795 6.045 4.382 1.0 1.74 ? 2 ILE A HD12 8 2 . A ATOM 3080 H HD13 . ILE A 1 2 ? -17.531 7.274 4.424 1.0 1.76 ? 2 ILE A HD13 8 2 . A ATOM 3081 N N . GLY A 1 3 ? -15.339 7.829 4.909 1.0 1.01 ? 3 GLY A N 8 3 . A ATOM 3082 C CA . GLY A 1 3 ? -14.969 8.527 3.679 1.0 1.23 ? 3 GLY A CA 8 3 . A ATOM 3083 C C . GLY A 1 3 ? -13.478 8.831 3.589 1.0 0.93 ? 3 GLY A C 8 3 . A ATOM 3084 O O . GLY A 1 3 ? -12.911 8.834 2.494 1.0 1.16 ? 3 GLY A O 8 3 . A ATOM 3085 H H . GLY A 1 3 ? -15.849 8.306 5.597 1.0 1.23 ? 3 GLY A H 8 3 . A ATOM 3086 H HA2 . GLY A 1 3 ? -15.250 7.916 2.834 1.0 1.67 ? 3 GLY A HA2 8 3 . A ATOM 3087 H HA3 . GLY A 1 3 ? -15.517 9.458 3.630 1.0 1.55 ? 3 GLY A HA3 8 3 . A ATOM 3088 N N . ALA A 1 4 ? -12.847 9.065 4.752 1.0 0.96 ? 4 ALA A N 8 4 . A ATOM 3089 C CA . ALA A 1 4 ? -11.413 9.368 4.826 1.0 0.91 ? 4 ALA A CA 8 4 . A ATOM 3090 C C . ALA A 1 4 ? -10.560 8.110 4.632 1.0 0.91 ? 4 ALA A C 8 4 . A ATOM 3091 O O . ALA A 1 4 ? -9.587 8.129 3.868 1.0 1.37 ? 4 ALA A O 8 4 . A ATOM 3092 C CB . ALA A 1 4 ? -11.086 10.038 6.154 1.0 1.32 ? 4 ALA A CB 8 4 . A ATOM 3093 H H . ALA A 1 4 ? -13.364 9.031 5.584 1.0 1.33 ? 4 ALA A H 8 4 . A ATOM 3094 H HA . ALA A 1 4 ? -11.184 10.068 4.035 1.0 1.01 ? 4 ALA A HA 8 4 . A ATOM 3095 H HB1 . ALA A 1 4 ? -11.691 10.925 6.269 1.0 1.53 ? 4 ALA A HB1 8 4 . A ATOM 3096 H HB2 . ALA A 1 4 ? -10.041 10.309 6.173 1.0 1.55 ? 4 ALA A HB2 8 4 . A ATOM 3097 H HB3 . ALA A 1 4 ? -11.294 9.353 6.963 1.0 1.62 ? 4 ALA A HB3 8 4 . A ATOM 3098 N N . VAL A 1 5 ? -10.947 7.012 5.310 1.0 0.84 ? 5 VAL A N 8 5 . A ATOM 3099 C CA . VAL A 1 5 ? -10.223 5.729 5.215 1.0 0.86 ? 5 VAL A CA 8 5 . A ATOM 3100 C C . VAL A 1 5 ? -10.396 5.074 3.834 1.0 0.72 ? 5 VAL A C 8 5 . A ATOM 3101 O O . VAL A 1 5 ? -9.470 4.433 3.323 1.0 0.86 ? 5 VAL A O 8 5 . A ATOM 3102 C CB . VAL A 1 5 ? -10.636 4.715 6.325 1.0 1.06 ? 5 VAL A CB 8 5 . A ATOM 3103 C CG1 . VAL A 1 5 ? -10.027 5.112 7.661 1.0 1.28 ? 5 VAL A CG1 8 5 . A ATOM 3104 C CG2 . VAL A 1 5 ? -12.154 4.579 6.457 1.0 1.11 ? 5 VAL A CG2 8 5 . A ATOM 3105 H H . VAL A 1 5 ? -11.738 7.067 5.886 1.0 1.11 ? 5 VAL A H 8 5 . A ATOM 3106 H HA . VAL A 1 5 ? -9.174 5.949 5.350 1.0 0.96 ? 5 VAL A HA 8 5 . A ATOM 3107 H HB . VAL A 1 5 ? -10.236 3.747 6.056 1.0 1.11 ? 5 VAL A HB 8 5 . A ATOM 3108 H HG11 . VAL A 1 5 ? -10.314 4.394 8.415 1.0 1.45 ? 5 VAL A HG11 8 5 . A ATOM 3109 H HG12 . VAL A 1 5 ? -10.384 6.091 7.943 1.0 1.25 ? 5 VAL A HG12 8 5 . A ATOM 3110 H HG13 . VAL A 1 5 ? -8.950 5.133 7.575 1.0 1.33 ? 5 VAL A HG13 8 5 . A ATOM 3111 H HG21 . VAL A 1 5 ? -12.575 4.297 5.502 1.0 1.32 ? 5 VAL A HG21 8 5 . A ATOM 3112 H HG22 . VAL A 1 5 ? -12.570 5.524 6.770 1.0 1.19 ? 5 VAL A HG22 8 5 . A ATOM 3113 H HG23 . VAL A 1 5 ? -12.386 3.821 7.191 1.0 1.46 ? 5 VAL A HG23 8 5 . A ATOM 3114 N N . LEU A 1 6 ? -11.585 5.259 3.236 1.0 0.63 ? 6 LEU A N 8 6 . A ATOM 3115 C CA . LEU A 1 6 ? -11.896 4.701 1.914 1.0 0.66 ? 6 LEU A CA 8 6 . A ATOM 3116 C C . LEU A 1 6 ? -11.208 5.503 0.801 1.0 0.68 ? 6 LEU A C 8 6 . A ATOM 3117 O O . LEU A 1 6 ? -10.662 4.918 -0.137 1.0 1.05 ? 6 LEU A O 8 6 . A ATOM 3118 C CB . LEU A 1 6 ? -13.416 4.672 1.695 1.0 0.8 ? 6 LEU A CB 8 6 . A ATOM 3119 C CG . LEU A 1 6 ? -13.911 3.726 0.592 1.0 0.91 ? 6 LEU A CG 8 6 . A ATOM 3120 C CD1 . LEU A 1 6 ? -15.127 2.946 1.066 1.0 1.08 ? 6 LEU A CD1 8 6 . A ATOM 3121 C CD2 . LEU A 1 6 ? -14.240 4.508 -0.671 1.0 1.13 ? 6 LEU A CD2 8 6 . A ATOM 3122 H H . LEU A 1 6 ? -12.269 5.788 3.698 1.0 0.71 ? 6 LEU A H 8 6 . A ATOM 3123 H HA . LEU A 1 6 ? -11.520 3.689 1.891 1.0 0.75 ? 6 LEU A HA 8 6 . A ATOM 3124 H HB2 . LEU A 1 6 ? -13.885 4.381 2.623 1.0 0.88 ? 6 LEU A HB2 8 6 . A ATOM 3125 H HB3 . LEU A 1 6 ? -13.740 5.673 1.449 1.0 0.89 ? 6 LEU A HB3 8 6 . A ATOM 3126 H HG . LEU A 1 6 ? -13.131 3.018 0.355 1.0 1.1 ? 6 LEU A HG 8 6 . A ATOM 3127 H HD11 . LEU A 1 6 ? -15.479 2.310 0.267 1.0 1.22 ? 6 LEU A HD11 8 6 . A ATOM 3128 H HD12 . LEU A 1 6 ? -15.909 3.634 1.351 1.0 1.49 ? 6 LEU A HD12 8 6 . A ATOM 3129 H HD13 . LEU A 1 6 ? -14.854 2.338 1.916 1.0 1.18 ? 6 LEU A HD13 8 6 . A ATOM 3130 H HD21 . LEU A 1 6 ? -13.360 5.034 -1.009 1.0 1.24 ? 6 LEU A HD21 8 6 . A ATOM 3131 H HD22 . LEU A 1 6 ? -15.025 5.220 -0.460 1.0 1.27 ? 6 LEU A HD22 8 6 . A ATOM 3132 H HD23 . LEU A 1 6 ? -14.571 3.827 -1.441 1.0 1.31 ? 6 LEU A HD23 8 6 . A ATOM 3133 N N . LYS A 1 7 ? -11.217 6.842 0.933 1.0 0.57 ? 7 LYS A N 8 7 . A ATOM 3134 C CA . LYS A 1 7 ? -10.598 7.735 -0.059 1.0 0.64 ? 7 LYS A CA 8 7 . A ATOM 3135 C C . LYS A 1 7 ? -9.065 7.712 0.017 1.0 0.66 ? 7 LYS A C 8 7 . A ATOM 3136 O O . LYS A 1 7 ? -8.392 8.128 -0.931 1.0 0.74 ? 7 LYS A O 8 7 . A ATOM 3137 C CB . LYS A 1 7 ? -11.100 9.167 0.132 1.0 0.73 ? 7 LYS A CB 8 7 . A ATOM 3138 C CG . LYS A 1 7 ? -11.634 9.800 -1.142 1.0 1.05 ? 7 LYS A CG 8 7 . A ATOM 3139 C CD . LYS A 1 7 ? -12.194 11.191 -0.882 1.0 1.19 ? 7 LYS A CD 8 7 . A ATOM 3140 C CE . LYS A 1 7 ? -12.826 11.790 -2.131 1.0 1.59 ? 7 LYS A CE 8 7 . A ATOM 3141 N NZ . LYS A 1 7 ? -14.117 11.132 -2.482 1.0 1.52 1 7 LYS A NZ 8 7 . A ATOM 3142 H H . LYS A 1 7 ? -11.648 7.236 1.720 1.0 0.69 ? 7 LYS A H 8 7 . A ATOM 3143 H HA . LYS A 1 7 ? -10.898 7.392 -1.038 1.0 0.7 ? 7 LYS A HA 8 7 . A ATOM 3144 H HB2 . LYS A 1 7 ? -11.892 9.164 0.867 1.0 0.78 ? 7 LYS A HB2 8 7 . A ATOM 3145 H HB3 . LYS A 1 7 ? -10.285 9.776 0.496 1.0 0.92 ? 7 LYS A HB3 8 7 . A ATOM 3146 H HG2 . LYS A 1 7 ? -10.832 9.875 -1.860 1.0 1.52 ? 7 LYS A HG2 8 7 . A ATOM 3147 H HG3 . LYS A 1 7 ? -12.420 9.174 -1.541 1.0 1.25 ? 7 LYS A HG3 8 7 . A ATOM 3148 H HD2 . LYS A 1 7 ? -12.944 11.127 -0.108 1.0 1.19 ? 7 LYS A HD2 8 7 . A ATOM 3149 H HD3 . LYS A 1 7 ? -11.390 11.834 -0.553 1.0 1.49 ? 7 LYS A HD3 8 7 . A ATOM 3150 H HE2 . LYS A 1 7 ? -13.006 12.840 -1.957 1.0 1.94 ? 7 LYS A HE2 8 7 . A ATOM 3151 H HE3 . LYS A 1 7 ? -12.138 11.677 -2.956 1.0 2.19 ? 7 LYS A HE3 8 7 . A ATOM 3152 H HZ1 . LYS A 1 7 ? -14.491 11.527 -3.369 1.0 2.02 ? 7 LYS A HZ1 8 7 . A ATOM 3153 H HZ2 . LYS A 1 7 ? -14.815 11.287 -1.727 1.0 1.72 ? 7 LYS A HZ2 8 7 . A ATOM 3154 H HZ3 . LYS A 1 7 ? -13.975 10.108 -2.603 1.0 1.75 ? 7 LYS A HZ3 8 7 . A ATOM 3155 N N . VAL A 1 8 ? -8.525 7.225 1.145 1.0 0.65 ? 8 VAL A N 8 8 . A ATOM 3156 C CA . VAL A 1 8 ? -7.074 7.145 1.336 1.0 0.75 ? 8 VAL A CA 8 8 . A ATOM 3157 C C . VAL A 1 8 ? -6.537 5.731 1.016 1.0 0.73 ? 8 VAL A C 8 8 . A ATOM 3158 O O . VAL A 1 8 ? -5.354 5.576 0.699 1.0 1.09 ? 8 VAL A O 8 8 . A ATOM 3159 C CB . VAL A 1 8 ? -6.669 7.600 2.778 1.0 0.88 ? 8 VAL A CB 8 8 . A ATOM 3160 C CG1 . VAL A 1 8 ? -6.979 6.543 3.840 1.0 0.99 ? 8 VAL A CG1 8 8 . A ATOM 3161 C CG2 . VAL A 1 8 ? -5.198 8.007 2.832 1.0 0.86 ? 8 VAL A CG2 8 8 . A ATOM 3162 H H . VAL A 1 8 ? -9.118 6.915 1.861 1.0 0.62 ? 8 VAL A H 8 8 . A ATOM 3163 H HA . VAL A 1 8 ? -6.626 7.837 0.636 1.0 0.81 ? 8 VAL A HA 8 8 . A ATOM 3164 H HB . VAL A 1 8 ? -7.256 8.477 3.015 1.0 0.96 ? 8 VAL A HB 8 8 . A ATOM 3165 H HG11 . VAL A 1 8 ? -7.824 5.952 3.521 1.0 1.09 ? 8 VAL A HG11 8 8 . A ATOM 3166 H HG12 . VAL A 1 8 ? -7.210 7.028 4.777 1.0 0.94 ? 8 VAL A HG12 8 8 . A ATOM 3167 H HG13 . VAL A 1 8 ? -6.119 5.901 3.970 1.0 1.05 ? 8 VAL A HG13 8 8 . A ATOM 3168 H HG21 . VAL A 1 8 ? -5.030 8.839 2.165 1.0 1.28 ? 8 VAL A HG21 8 8 . A ATOM 3169 H HG22 . VAL A 1 8 ? -4.583 7.172 2.529 1.0 1.02 ? 8 VAL A HG22 8 8 . A ATOM 3170 H HG23 . VAL A 1 8 ? -4.941 8.296 3.841 1.0 1.3 ? 8 VAL A HG23 8 8 . A ATOM 3171 N N . LEU A 1 9 ? -7.414 4.717 1.100 1.0 0.61 ? 9 LEU A N 8 9 . A ATOM 3172 C CA . LEU A 1 9 ? -7.025 3.327 0.829 1.0 0.66 ? 9 LEU A CA 8 9 . A ATOM 3173 C C . LEU A 1 9 ? -7.193 2.953 -0.647 1.0 0.63 ? 9 LEU A C 8 9 . A ATOM 3174 O O . LEU A 1 9 ? -6.351 2.239 -1.201 1.0 0.8 ? 9 LEU A O 8 9 . A ATOM 3175 C CB . LEU A 1 9 ? -7.831 2.361 1.709 1.0 0.82 ? 9 LEU A CB 8 9 . A ATOM 3176 C CG . LEU A 1 9 ? -7.066 1.744 2.891 1.0 0.99 ? 9 LEU A CG 8 9 . A ATOM 3177 C CD1 . LEU A 1 9 ? -7.076 2.674 4.098 1.0 1.17 ? 9 LEU A CD1 8 9 . A ATOM 3178 C CD2 . LEU A 1 9 ? -7.658 0.390 3.258 1.0 1.19 ? 9 LEU A CD2 8 9 . A ATOM 3179 H H . LEU A 1 9 ? -8.341 4.910 1.349 1.0 0.78 ? 9 LEU A H 8 9 . A ATOM 3180 H HA . LEU A 1 9 ? -5.980 3.233 1.083 1.0 0.73 ? 9 LEU A HA 8 9 . A ATOM 3181 H HB2 . LEU A 1 9 ? -8.684 2.895 2.102 1.0 0.84 ? 9 LEU A HB2 8 9 . A ATOM 3182 H HB3 . LEU A 1 9 ? -8.190 1.556 1.085 1.0 0.9 ? 9 LEU A HB3 8 9 . A ATOM 3183 H HG . LEU A 1 9 ? -6.036 1.587 2.603 1.0 1.16 ? 9 LEU A HG 8 9 . A ATOM 3184 H HD11 . LEU A 1 9 ? -6.482 2.244 4.890 1.0 1.48 ? 9 LEU A HD11 8 9 . A ATOM 3185 H HD12 . LEU A 1 9 ? -8.092 2.807 4.441 1.0 1.24 ? 9 LEU A HD12 8 9 . A ATOM 3186 H HD13 . LEU A 1 9 ? -6.663 3.632 3.817 1.0 1.43 ? 9 LEU A HD13 8 9 . A ATOM 3187 H HD21 . LEU A 1 9 ? -8.714 0.500 3.453 1.0 1.29 ? 9 LEU A HD21 8 9 . A ATOM 3188 H HD22 . LEU A 1 9 ? -7.166 0.010 4.141 1.0 1.33 ? 9 LEU A HD22 8 9 . A ATOM 3189 H HD23 . LEU A 1 9 ? -7.512 -0.300 2.440 1.0 1.33 ? 9 LEU A HD23 8 9 . A ATOM 3190 N N . THR A 1 10 ? -8.275 3.436 -1.280 1.0 0.58 ? 10 THR A N 8 10 . A ATOM 3191 C CA . THR A 1 10 ? -8.539 3.140 -2.697 1.0 0.7 ? 10 THR A CA 8 10 . A ATOM 3192 C C . THR A 1 10 ? -7.851 4.159 -3.618 1.0 0.7 ? 10 THR A C 8 10 . A ATOM 3193 O O . THR A 1 10 ? -8.484 4.776 -4.485 1.0 0.88 ? 10 THR A O 8 10 . A ATOM 3194 C CB . THR A 1 10 ? -10.058 3.088 -3.008 1.0 0.82 ? 10 THR A CB 8 10 . A ATOM 3195 O OG1 . THR A 1 10 ? -10.689 4.312 -2.616 1.0 0.97 ? 10 THR A OG1 8 10 . A ATOM 3196 C CG2 . THR A 1 10 ? -10.726 1.912 -2.305 1.0 1.05 ? 10 THR A CG2 8 10 . A ATOM 3197 H H . THR A 1 10 ? -8.905 3.999 -0.785 1.0 0.61 ? 10 THR A H 8 10 . A ATOM 3198 H HA . THR A 1 10 ? -8.124 2.162 -2.904 1.0 0.8 ? 10 THR A HA 8 10 . A ATOM 3199 H HB . THR A 1 10 ? -10.181 2.961 -4.074 1.0 0.97 ? 10 THR A HB 8 10 . A ATOM 3200 H HG1 . THR A 1 10 ? -11.618 4.151 -2.439 1.0 1.15 ? 10 THR A HG1 8 10 . A ATOM 3201 H HG21 . THR A 1 10 ? -11.777 1.894 -2.552 1.0 1.35 ? 10 THR A HG21 8 10 . A ATOM 3202 H HG22 . THR A 1 10 ? -10.609 2.017 -1.236 1.0 1.45 ? 10 THR A HG22 8 10 . A ATOM 3203 H HG23 . THR A 1 10 ? -10.264 0.990 -2.628 1.0 1.46 ? 10 THR A HG23 8 10 . A ATOM 3204 N N . THR A 1 11 ? -6.539 4.322 -3.415 1.0 0.59 ? 11 THR A N 8 11 . A ATOM 3205 C CA . THR A 1 11 ? -5.728 5.252 -4.207 1.0 0.7 ? 11 THR A CA 8 11 . A ATOM 3206 C C . THR A 1 11 ? -4.349 4.663 -4.501 1.0 0.8 ? 11 THR A C 8 11 . A ATOM 3207 O O . THR A 1 11 ? -3.868 4.735 -5.636 1.0 1.51 ? 11 THR A O 8 11 . A ATOM 3208 C CB . THR A 1 11 ? -5.556 6.615 -3.498 1.0 0.65 ? 11 THR A CB 8 11 . A ATOM 3209 O OG1 . THR A 1 11 ? -5.188 6.416 -2.128 1.0 0.51 ? 11 THR A OG1 8 11 . A ATOM 3210 C CG2 . THR A 1 11 ? -6.837 7.437 -3.573 1.0 0.76 ? 11 THR A CG2 8 11 . A ATOM 3211 H H . THR A 1 11 ? -6.103 3.799 -2.709 1.0 0.51 ? 11 THR A H 8 11 . A ATOM 3212 H HA . THR A 1 11 ? -6.240 5.420 -5.143 1.0 0.88 ? 11 THR A HA 8 11 . A ATOM 3213 H HB . THR A 1 11 ? -4.768 7.162 -3.995 1.0 0.76 ? 11 THR A HB 8 11 . A ATOM 3214 H HG1 . THR A 1 11 ? -5.838 6.833 -1.557 1.0 0.97 ? 11 THR A HG1 8 11 . A ATOM 3215 H HG21 . THR A 1 11 ? -6.682 8.390 -3.090 1.0 1.28 ? 11 THR A HG21 8 11 . A ATOM 3216 H HG22 . THR A 1 11 ? -7.635 6.906 -3.074 1.0 1.01 ? 11 THR A HG22 8 11 . A ATOM 3217 H HG23 . THR A 1 11 ? -7.102 7.596 -4.607 1.0 1.16 ? 11 THR A HG23 8 11 . A ATOM 3218 N N . GLY A 1 12 ? -3.724 4.082 -3.468 1.0 0.88 ? 12 GLY A N 8 12 . A ATOM 3219 C CA . GLY A 1 12 ? -2.409 3.477 -3.617 1.0 0.94 ? 12 GLY A CA 8 12 . A ATOM 3220 C C . GLY A 1 12 ? -2.366 2.060 -3.080 1.0 0.89 ? 12 GLY A C 8 12 . A ATOM 3221 O O . GLY A 1 12 ? -2.024 1.845 -1.913 1.0 0.98 ? 12 GLY A O 8 12 . A ATOM 3222 H H . GLY A 1 12 ? -4.166 4.066 -2.594 1.0 1.39 ? 12 GLY A H 8 12 . A ATOM 3223 H HA2 . GLY A 1 12 ? -2.147 3.462 -4.665 1.0 1.07 ? 12 GLY A HA2 8 12 . A ATOM 3224 H HA3 . GLY A 1 12 ? -1.685 4.075 -3.084 1.0 0.97 ? 12 GLY A HA3 8 12 . A ATOM 3225 N N . LEU A 1 13 ? -2.715 1.097 -3.939 1.0 0.8 ? 13 LEU A N 8 13 . A ATOM 3226 C CA . LEU A 1 13 ? -2.730 -0.320 -3.566 1.0 0.75 ? 13 LEU A CA 8 13 . A ATOM 3227 C C . LEU A 1 13 ? -1.390 -1.020 -3.882 1.0 0.67 ? 13 LEU A C 8 13 . A ATOM 3228 O O . LEU A 1 13 ? -0.898 -1.769 -3.033 1.0 0.63 ? 13 LEU A O 8 13 . A ATOM 3229 C CB . LEU A 1 13 ? -3.884 -1.051 -4.268 1.0 0.84 ? 13 LEU A CB 8 13 . A ATOM 3230 C CG . LEU A 1 13 ? -4.521 -2.193 -3.466 1.0 0.93 ? 13 LEU A CG 8 13 . A ATOM 3231 C CD1 . LEU A 1 13 ? -5.636 -1.670 -2.569 1.0 1.5 ? 13 LEU A CD1 8 13 . A ATOM 3232 C CD2 . LEU A 1 13 ? -5.050 -3.268 -4.403 1.0 1.2 ? 13 LEU A CD2 8 13 . A ATOM 3233 H H . LEU A 1 13 ? -2.971 1.347 -4.852 1.0 0.8 ? 13 LEU A H 8 13 . A ATOM 3234 H HA . LEU A 1 13 ? -2.892 -0.368 -2.500 1.0 0.77 ? 13 LEU A HA 8 13 . A ATOM 3235 H HB2 . LEU A 1 13 ? -4.653 -0.329 -4.498 1.0 1.04 ? 13 LEU A HB2 8 13 . A ATOM 3236 H HB3 . LEU A 1 13 ? -3.512 -1.462 -5.194 1.0 0.87 ? 13 LEU A HB3 8 13 . A ATOM 3237 H HG . LEU A 1 13 ? -3.769 -2.641 -2.833 1.0 1.14 ? 13 LEU A HG 8 13 . A ATOM 3238 H HD11 . LEU A 1 13 ? -6.066 -2.490 -2.013 1.0 1.65 ? 13 LEU A HD11 8 13 . A ATOM 3239 H HD12 . LEU A 1 13 ? -6.399 -1.207 -3.176 1.0 1.79 ? 13 LEU A HD12 8 13 . A ATOM 3240 H HD13 . LEU A 1 13 ? -5.232 -0.941 -1.881 1.0 1.82 ? 13 LEU A HD13 8 13 . A ATOM 3241 H HD21 . LEU A 1 13 ? -5.770 -2.834 -5.080 1.0 1.54 ? 13 LEU A HD21 8 13 . A ATOM 3242 H HD22 . LEU A 1 13 ? -5.524 -4.048 -3.825 1.0 1.48 ? 13 LEU A HD22 8 13 . A ATOM 3243 H HD23 . LEU A 1 13 ? -4.231 -3.687 -4.968 1.0 1.47 ? 13 LEU A HD23 8 13 . A ATOM 3244 N N . PRO A 1 14 ? -0.761 -0.806 -5.092 1.0 0.71 ? 14 PRO A N 8 14 . A ATOM 3245 C CA . PRO A 1 14 ? 0.524 -1.456 -5.442 1.0 0.73 ? 14 PRO A CA 8 14 . A ATOM 3246 C C . PRO A 1 14 ? 1.729 -0.886 -4.677 1.0 0.75 ? 14 PRO A C 8 14 . A ATOM 3247 O O . PRO A 1 14 ? 2.851 -1.386 -4.820 1.0 0.92 ? 14 PRO A O 8 14 . A ATOM 3248 C CB . PRO A 1 14 ? 0.678 -1.188 -6.951 1.0 0.85 ? 14 PRO A CB 8 14 . A ATOM 3249 C CG . PRO A 1 14 ? -0.635 -0.644 -7.406 1.0 0.91 ? 14 PRO A CG 8 14 . A ATOM 3250 C CD . PRO A 1 14 ? -1.221 0.046 -6.213 1.0 0.81 ? 14 PRO A CD 8 14 . A ATOM 3251 H HA . PRO A 1 14 ? 0.477 -2.522 -5.271 1.0 0.7 ? 14 PRO A HA 8 14 . A ATOM 3252 H HB2 . PRO A 1 14 ? 1.470 -0.468 -7.115 1.0 0.9 ? 14 PRO A HB2 8 14 . A ATOM 3253 H HB3 . PRO A 1 14 ? 0.899 -2.107 -7.472 1.0 0.93 ? 14 PRO A HB3 8 14 . A ATOM 3254 H HG2 . PRO A 1 14 ? -0.483 0.057 -8.216 1.0 1.08 ? 14 PRO A HG2 8 14 . A ATOM 3255 H HG3 . PRO A 1 14 ? -1.282 -1.449 -7.720 1.0 1.01 ? 14 PRO A HG3 8 14 . A ATOM 3256 H HD2 . PRO A 1 14 ? -0.829 1.049 -6.126 1.0 0.9 ? 14 PRO A HD2 8 14 . A ATOM 3257 H HD3 . PRO A 1 14 ? -2.298 0.061 -6.272 1.0 0.84 ? 14 PRO A HD3 8 14 . A ATOM 3258 N N . ALA A 1 15 ? 1.485 0.150 -3.855 1.0 0.67 ? 15 ALA A N 8 15 . A ATOM 3259 C CA . ALA A 1 15 ? 2.539 0.794 -3.057 1.0 0.73 ? 15 ALA A CA 8 15 . A ATOM 3260 C C . ALA A 1 15 ? 2.960 -0.077 -1.867 1.0 0.73 ? 15 ALA A C 8 15 . A ATOM 3261 O O . ALA A 1 15 ? 4.150 -0.164 -1.543 1.0 0.88 ? 15 ALA A O 8 15 . A ATOM 3262 C CB . ALA A 1 15 ? 2.072 2.160 -2.575 1.0 0.8 ? 15 ALA A CB 8 15 . A ATOM 3263 H H . ALA A 1 15 ? 0.569 0.489 -3.784 1.0 0.63 ? 15 ALA A H 8 15 . A ATOM 3264 H HA . ALA A 1 15 ? 3.395 0.941 -3.699 1.0 0.77 ? 15 ALA A HA 8 15 . A ATOM 3265 H HB1 . ALA A 1 15 ? 1.780 2.760 -3.424 1.0 0.79 ? 15 ALA A HB1 8 15 . A ATOM 3266 H HB2 . ALA A 1 15 ? 2.877 2.650 -2.047 1.0 0.92 ? 15 ALA A HB2 8 15 . A ATOM 3267 H HB3 . ALA A 1 15 ? 1.228 2.039 -1.912 1.0 0.78 ? 15 ALA A HB3 8 15 . A ATOM 3268 N N . LEU A 1 16 ? 1.971 -0.729 -1.232 1.0 0.64 ? 16 LEU A N 8 16 . A ATOM 3269 C CA . LEU A 1 16 ? 2.217 -1.611 -0.082 1.0 0.67 ? 16 LEU A CA 8 16 . A ATOM 3270 C C . LEU A 1 16 ? 2.786 -2.961 -0.531 1.0 0.63 ? 16 LEU A C 8 16 . A ATOM 3271 O O . LEU A 1 16 ? 3.613 -3.555 0.168 1.0 0.76 ? 16 LEU A O 8 16 . A ATOM 3272 C CB . LEU A 1 16 ? 0.928 -1.827 0.718 1.0 0.75 ? 16 LEU A CB 8 16 . A ATOM 3273 C CG . LEU A 1 16 ? 0.394 -0.588 1.445 1.0 0.96 ? 16 LEU A CG 8 16 . A ATOM 3274 C CD1 . LEU A 1 16 ? -0.902 -0.111 0.808 1.0 1.2 ? 16 LEU A CD1 8 16 . A ATOM 3275 C CD2 . LEU A 1 16 ? 0.188 -0.885 2.922 1.0 1.23 ? 16 LEU A CD2 8 16 . A ATOM 3276 H H . LEU A 1 16 ? 1.051 -0.612 -1.548 1.0 0.63 ? 16 LEU A H 8 16 . A ATOM 3277 H HA . LEU A 1 16 ? 2.944 -1.126 0.553 1.0 0.72 ? 16 LEU A HA 8 16 . A ATOM 3278 H HB2 . LEU A 1 16 ? 0.164 -2.177 0.039 1.0 0.81 ? 16 LEU A HB2 8 16 . A ATOM 3279 H HB3 . LEU A 1 16 ? 1.110 -2.596 1.453 1.0 0.95 ? 16 LEU A HB3 8 16 . A ATOM 3280 H HG . LEU A 1 16 ? 1.119 0.209 1.361 1.0 1.21 ? 16 LEU A HG 8 16 . A ATOM 3281 H HD11 . LEU A 1 16 ? -1.255 0.768 1.327 1.0 1.66 ? 16 LEU A HD11 8 16 . A ATOM 3282 H HD12 . LEU A 1 16 ? -1.645 -0.892 0.876 1.0 1.38 ? 16 LEU A HD12 8 16 . A ATOM 3283 H HD13 . LEU A 1 16 ? -0.726 0.130 -0.230 1.0 1.32 ? 16 LEU A HD13 8 16 . A ATOM 3284 H HD21 . LEU A 1 16 ? -0.512 -1.700 3.032 1.0 1.24 ? 16 LEU A HD21 8 16 . A ATOM 3285 H HD22 . LEU A 1 16 ? -0.203 -0.006 3.414 1.0 1.49 ? 16 LEU A HD22 8 16 . A ATOM 3286 H HD23 . LEU A 1 16 ? 1.132 -1.158 3.370 1.0 1.81 ? 16 LEU A HD23 8 16 . A ATOM 3287 N N . ILE A 1 17 ? 2.341 -3.427 -1.714 1.0 0.53 ? 17 ILE A N 8 17 . A ATOM 3288 C CA . ILE A 1 17 ? 2.803 -4.701 -2.298 1.0 0.52 ? 17 ILE A CA 8 17 . A ATOM 3289 C C . ILE A 1 17 ? 4.261 -4.566 -2.773 1.0 0.53 ? 17 ILE A C 8 17 . A ATOM 3290 O O . ILE A 1 17 ? 5.075 -5.480 -2.583 1.0 0.63 ? 17 ILE A O 8 17 . A ATOM 3291 C CB . ILE A 1 17 ? 1.903 -5.164 -3.498 1.0 0.54 ? 17 ILE A CB 8 17 . A ATOM 3292 C CG1 . ILE A 1 17 ? 0.389 -4.874 -3.259 1.0 0.6 ? 17 ILE A CG1 8 17 . A ATOM 3293 C CG2 . ILE A 1 17 ? 2.122 -6.649 -3.817 1.0 0.58 ? 17 ILE A CG2 8 17 . A ATOM 3294 C CD1 . ILE A 1 17 ? -0.214 -5.450 -1.978 1.0 0.64 ? 17 ILE A CD1 8 17 . A ATOM 3295 H H . ILE A 1 17 ? 1.681 -2.897 -2.208 1.0 0.54 ? 17 ILE A H 8 17 . A ATOM 3296 H HA . ILE A 1 17 ? 2.756 -5.456 -1.526 1.0 0.55 ? 17 ILE A HA 8 17 . A ATOM 3297 H HB . ILE A 1 17 ? 2.221 -4.605 -4.367 1.0 0.55 ? 17 ILE A HB 8 17 . A ATOM 3298 H HG12 . ILE A 1 17 ? 0.245 -3.806 -3.226 1.0 0.61 ? 17 ILE A HG12 8 17 . A ATOM 3299 H HG13 . ILE A 1 17 ? -0.172 -5.273 -4.093 1.0 0.64 ? 17 ILE A HG13 8 17 . A ATOM 3300 H HG21 . ILE A 1 17 ? 1.477 -6.941 -4.632 1.0 1.05 ? 17 ILE A HG21 8 17 . A ATOM 3301 H HG22 . ILE A 1 17 ? 1.891 -7.243 -2.945 1.0 1.42 ? 17 ILE A HG22 8 17 . A ATOM 3302 H HG23 . ILE A 1 17 ? 3.152 -6.807 -4.098 1.0 1.01 ? 17 ILE A HG23 8 17 . A ATOM 3303 H HD11 . ILE A 1 17 ? -0.121 -6.526 -1.988 1.0 1.2 ? 17 ILE A HD11 8 17 . A ATOM 3304 H HD12 . ILE A 1 17 ? -1.258 -5.180 -1.919 1.0 1.2 ? 17 ILE A HD12 8 17 . A ATOM 3305 H HD13 . ILE A 1 17 ? 0.309 -5.051 -1.122 1.0 1.23 ? 17 ILE A HD13 8 17 . A ATOM 3306 N N . SER A 1 18 ? 4.573 -3.407 -3.378 1.0 0.53 ? 18 SER A N 8 18 . A ATOM 3307 C CA . SER A 1 18 ? 5.925 -3.109 -3.868 1.0 0.6 ? 18 SER A CA 8 18 . A ATOM 3308 C C . SER A 1 18 ? 6.875 -2.791 -2.707 1.0 0.59 ? 18 SER A C 8 18 . A ATOM 3309 O O . SER A 1 18 ? 8.089 -2.989 -2.818 1.0 0.88 ? 18 SER A O 8 18 . A ATOM 3310 C CB . SER A 1 18 ? 5.889 -1.934 -4.847 1.0 0.73 ? 18 SER A CB 8 18 . A ATOM 3311 O OG . SER A 1 18 ? 5.109 -2.243 -5.988 1.0 0.8 ? 18 SER A OG 8 18 . A ATOM 3312 H H . SER A 1 18 ? 3.871 -2.734 -3.497 1.0 0.57 ? 18 SER A H 8 18 . A ATOM 3313 H HA . SER A 1 18 ? 6.290 -3.985 -4.385 1.0 0.63 ? 18 SER A HA 8 18 . A ATOM 3314 H HB2 . SER A 1 18 ? 5.461 -1.073 -4.356 1.0 0.74 ? 18 SER A HB2 8 18 . A ATOM 3315 H HB3 . SER A 1 18 ? 6.895 -1.703 -5.165 1.0 0.81 ? 18 SER A HB3 8 18 . A ATOM 3316 H HG . SER A 1 18 ? 4.638 -1.457 -6.276 1.0 1.1 ? 18 SER A HG 8 18 . A ATOM 3317 N N . TRP A 1 19 ? 6.300 -2.304 -1.591 1.0 0.49 ? 19 TRP A N 8 19 . A ATOM 3318 C CA . TRP A 1 19 ? 7.069 -1.969 -0.386 1.0 0.54 ? 19 TRP A CA 8 19 . A ATOM 3319 C C . TRP A 1 19 ? 7.470 -3.233 0.381 1.0 0.5 ? 19 TRP A C 8 19 . A ATOM 3320 O O . TRP A 1 19 ? 8.582 -3.314 0.913 1.0 0.59 ? 19 TRP A O 8 19 . A ATOM 3321 C CB . TRP A 1 19 ? 6.261 -1.042 0.523 1.0 0.68 ? 19 TRP A CB 8 19 . A ATOM 3322 C CG . TRP A 1 19 ? 6.862 0.326 0.657 1.0 0.62 ? 19 TRP A CG 8 19 . A ATOM 3323 C CD1 . TRP A 1 19 ? 6.508 1.451 -0.032 1.0 0.96 ? 19 TRP A CD1 8 19 . A ATOM 3324 C CD2 . TRP A 1 19 ? 7.926 0.723 1.526 1.0 0.63 ? 19 TRP A CD2 8 19 . A ATOM 3325 N NE1 . TRP A 1 19 ? 7.290 2.518 0.359 1.0 1.09 ? 19 TRP A NE1 8 19 . A ATOM 3326 C CE2 . TRP A 1 19 ? 8.174 2.107 1.325 1.0 0.9 ? 19 TRP A CE2 8 19 . A ATOM 3327 C CE3 . TRP A 1 19 ? 8.730 0.060 2.485 1.0 0.84 ? 19 TRP A CE3 8 19 . A ATOM 3328 C CZ2 . TRP A 1 19 ? 9.155 2.850 2.013 1.0 1.16 ? 19 TRP A CZ2 8 19 . A ATOM 3329 C CZ3 . TRP A 1 19 ? 9.708 0.768 3.170 1.0 1.15 ? 19 TRP A CZ3 8 19 . A ATOM 3330 C CH2 . TRP A 1 19 ? 9.929 2.162 2.945 1.0 1.24 ? 19 TRP A CH2 8 19 . A ATOM 3331 H H . TRP A 1 19 ? 5.329 -2.168 -1.583 1.0 0.6 ? 19 TRP A H 8 19 . A ATOM 3332 H HA . TRP A 1 19 ? 7.965 -1.456 -0.701 1.0 0.59 ? 19 TRP A HA 8 19 . A ATOM 3333 H HB2 . TRP A 1 19 ? 5.265 -0.931 0.121 1.0 0.97 ? 19 TRP A HB2 8 19 . A ATOM 3334 H HB3 . TRP A 1 19 ? 6.200 -1.479 1.509 1.0 0.79 ? 19 TRP A HB3 8 19 . A ATOM 3335 H HD1 . TRP A 1 19 ? 5.727 1.484 -0.778 1.0 1.22 ? 19 TRP A HD1 8 19 . A ATOM 3336 H HE1 . TRP A 1 19 ? 7.223 3.431 0.008 1.0 1.4 ? 19 TRP A HE1 8 19 . A ATOM 3337 H HE3 . TRP A 1 19 ? 8.595 -0.995 2.669 1.0 0.96 ? 19 TRP A HE3 8 19 . A ATOM 3338 H HZ2 . TRP A 1 19 ? 9.310 3.900 1.814 1.0 1.42 ? 19 TRP A HZ2 8 19 . A ATOM 3339 H HZ3 . TRP A 1 19 ? 10.311 0.253 3.902 1.0 1.44 ? 19 TRP A HZ3 8 19 . A ATOM 3340 H HH2 . TRP A 1 19 ? 10.693 2.683 3.503 1.0 1.52 ? 19 TRP A HH2 8 19 . A ATOM 3341 N N . ILE A 1 20 ? 6.557 -4.221 0.420 1.0 0.52 ? 20 ILE A N 8 20 . A ATOM 3342 C CA . ILE A 1 20 ? 6.814 -5.501 1.103 1.0 0.56 ? 20 ILE A CA 8 20 . A ATOM 3343 C C . ILE A 1 20 ? 7.725 -6.405 0.256 1.0 0.59 ? 20 ILE A C 8 20 . A ATOM 3344 O O . ILE A 1 20 ? 8.507 -7.190 0.798 1.0 0.75 ? 20 ILE A O 8 20 . A ATOM 3345 C CB . ILE A 1 20 ? 5.504 -6.264 1.480 1.0 0.71 ? 20 ILE A CB 8 20 . A ATOM 3346 C CG1 . ILE A 1 20 ? 4.555 -6.433 0.279 1.0 0.93 ? 20 ILE A CG1 8 20 . A ATOM 3347 C CG2 . ILE A 1 20 ? 4.787 -5.555 2.621 1.0 1.12 ? 20 ILE A CG2 8 20 . A ATOM 3348 C CD1 . ILE A 1 20 ? 4.682 -7.775 -0.410 1.0 1.33 ? 20 ILE A CD1 8 20 . A ATOM 3349 H H . ILE A 1 20 ? 5.693 -4.085 -0.020 1.0 0.58 ? 20 ILE A H 8 20 . A ATOM 3350 H HA . ILE A 1 20 ? 7.337 -5.270 2.022 1.0 0.57 ? 20 ILE A HA 8 20 . A ATOM 3351 H HB . ILE A 1 20 ? 5.789 -7.244 1.837 1.0 1.0 ? 20 ILE A HB 8 20 . A ATOM 3352 H HG12 . ILE A 1 20 ? 3.535 -6.329 0.616 1.0 1.04 ? 20 ILE A HG12 8 20 . A ATOM 3353 H HG13 . ILE A 1 20 ? 4.770 -5.664 -0.449 1.0 1.17 ? 20 ILE A HG13 8 20 . A ATOM 3354 H HG21 . ILE A 1 20 ? 5.433 -5.519 3.486 1.0 1.42 ? 20 ILE A HG21 8 20 . A ATOM 3355 H HG22 . ILE A 1 20 ? 3.884 -6.094 2.869 1.0 1.21 ? 20 ILE A HG22 8 20 . A ATOM 3356 H HG23 . ILE A 1 20 ? 4.534 -4.550 2.318 1.0 1.32 ? 20 ILE A HG23 8 20 . A ATOM 3357 H HD11 . ILE A 1 20 ? 4.101 -7.768 -1.321 1.0 1.7 ? 20 ILE A HD11 8 20 . A ATOM 3358 H HD12 . ILE A 1 20 ? 4.314 -8.551 0.245 1.0 1.35 ? 20 ILE A HD12 8 20 . A ATOM 3359 H HD13 . ILE A 1 20 ? 5.719 -7.962 -0.645 1.0 1.51 ? 20 ILE A HD13 8 20 . A ATOM 3360 N N . LYS A 1 21 ? 7.614 -6.269 -1.081 1.0 0.54 ? 21 LYS A N 8 21 . A ATOM 3361 C CA . LYS A 1 21 ? 8.434 -7.043 -2.026 1.0 0.66 ? 21 LYS A CA 8 21 . A ATOM 3362 C C . LYS A 1 21 ? 9.864 -6.495 -2.090 1.0 0.6 ? 21 LYS A C 8 21 . A ATOM 3363 O O . LYS A 1 21 ? 10.820 -7.258 -2.260 1.0 0.7 ? 21 LYS A O 8 21 . A ATOM 3364 C CB . LYS A 1 21 ? 7.809 -7.025 -3.425 1.0 0.79 ? 21 LYS A CB 8 21 . A ATOM 3365 C CG . LYS A 1 21 ? 6.623 -7.964 -3.579 1.0 1.01 ? 21 LYS A CG 8 21 . A ATOM 3366 C CD . LYS A 1 21 ? 6.143 -8.023 -5.020 1.0 1.03 ? 21 LYS A CD 8 21 . A ATOM 3367 C CE . LYS A 1 21 ? 5.044 -9.058 -5.201 1.0 1.13 ? 21 LYS A CE 8 21 . A ATOM 3368 N NZ . LYS A 1 21 ? 4.556 -9.113 -6.607 1.0 1.58 1 21 LYS A NZ 8 21 . A ATOM 3369 H H . LYS A 1 21 ? 6.962 -5.630 -1.436 1.0 0.52 ? 21 LYS A H 8 21 . A ATOM 3370 H HA . LYS A 1 21 ? 8.470 -8.062 -1.672 1.0 0.75 ? 21 LYS A HA 8 21 . A ATOM 3371 H HB2 . LYS A 1 21 ? 7.476 -6.022 -3.646 1.0 1.0 ? 21 LYS A HB2 8 21 . A ATOM 3372 H HB3 . LYS A 1 21 ? 8.562 -7.311 -4.145 1.0 0.9 ? 21 LYS A HB3 8 21 . A ATOM 3373 H HG2 . LYS A 1 21 ? 6.918 -8.956 -3.268 1.0 1.29 ? 21 LYS A HG2 8 21 . A ATOM 3374 H HG3 . LYS A 1 21 ? 5.816 -7.614 -2.953 1.0 1.39 ? 21 LYS A HG3 8 21 . A ATOM 3375 H HD2 . LYS A 1 21 ? 5.759 -7.053 -5.301 1.0 1.28 ? 21 LYS A HD2 8 21 . A ATOM 3376 H HD3 . LYS A 1 21 ? 6.977 -8.280 -5.657 1.0 1.06 ? 21 LYS A HD3 8 21 . A ATOM 3377 H HE2 . LYS A 1 21 ? 5.433 -10.027 -4.927 1.0 1.11 ? 21 LYS A HE2 8 21 . A ATOM 3378 H HE3 . LYS A 1 21 ? 4.219 -8.805 -4.552 1.0 1.19 ? 21 LYS A HE3 8 21 . A ATOM 3379 H HZ1 . LYS A 1 21 ? 3.819 -9.840 -6.701 1.0 1.84 ? 21 LYS A HZ1 8 21 . A ATOM 3380 H HZ2 . LYS A 1 21 ? 5.340 -9.345 -7.250 1.0 1.52 ? 21 LYS A HZ2 8 21 . A ATOM 3381 H HZ3 . LYS A 1 21 ? 4.158 -8.192 -6.884 1.0 2.1 ? 21 LYS A HZ3 8 21 . A ATOM 3382 N N . ARG A 1 22 ? 9.994 -5.166 -1.942 1.0 0.56 ? 22 ARG A N 8 22 . A ATOM 3383 C CA . ARG A 1 22 ? 11.299 -4.491 -1.958 1.0 0.56 ? 22 ARG A CA 8 22 . A ATOM 3384 C C . ARG A 1 22 ? 12.003 -4.609 -0.601 1.0 0.52 ? 22 ARG A C 8 22 . A ATOM 3385 O O . ARG A 1 22 ? 13.235 -4.573 -0.532 1.0 0.66 ? 22 ARG A O 8 22 . A ATOM 3386 C CB . ARG A 1 22 ? 11.135 -3.015 -2.327 1.0 0.63 ? 22 ARG A CB 8 22 . A ATOM 3387 C CG . ARG A 1 22 ? 10.990 -2.771 -3.821 1.0 0.92 ? 22 ARG A CG 8 22 . A ATOM 3388 C CD . ARG A 1 22 ? 10.905 -1.286 -4.133 1.0 1.04 ? 22 ARG A CD 8 22 . A ATOM 3389 N NE . ARG A 1 22 ? 10.966 -1.019 -5.573 1.0 1.25 ? 22 ARG A NE 8 22 . A ATOM 3390 C CZ . ARG A 1 22 ? 11.243 0.176 -6.115 1.0 1.56 ? 22 ARG A CZ 8 22 . A ATOM 3391 N NH1 . ARG A 1 22 ? 11.488 1.238 -5.350 1.0 1.61 1 22 ARG A NH1 8 22 . A ATOM 3392 N NH2 . ARG A 1 22 ? 11.272 0.306 -7.434 1.0 2.06 ? 22 ARG A NH2 8 22 . A ATOM 3393 H H . ARG A 1 22 ? 9.186 -4.625 -1.818 1.0 0.61 ? 22 ARG A H 8 22 . A ATOM 3394 H HA . ARG A 1 22 ? 11.908 -4.973 -2.707 1.0 0.67 ? 22 ARG A HA 8 22 . A ATOM 3395 H HB2 . ARG A 1 22 ? 10.254 -2.629 -1.835 1.0 0.98 ? 22 ARG A HB2 8 22 . A ATOM 3396 H HB3 . ARG A 1 22 ? 12.000 -2.471 -1.978 1.0 0.82 ? 22 ARG A HB3 8 22 . A ATOM 3397 H HG2 . ARG A 1 22 ? 11.847 -3.188 -4.329 1.0 1.19 ? 22 ARG A HG2 8 22 . A ATOM 3398 H HG3 . ARG A 1 22 ? 10.091 -3.257 -4.170 1.0 1.48 ? 22 ARG A HG3 8 22 . A ATOM 3399 H HD2 . ARG A 1 22 ? 9.973 -0.904 -3.746 1.0 1.28 ? 22 ARG A HD2 8 22 . A ATOM 3400 H HD3 . ARG A 1 22 ? 11.728 -0.783 -3.648 1.0 1.34 ? 22 ARG A HD3 8 22 . A ATOM 3401 H HE . ARG A 1 22 ? 10.793 -1.773 -6.176 1.0 1.43 ? 22 ARG A HE 8 22 . A ATOM 3402 H HH11 . ARG A 1 22 ? 11.468 1.152 -4.354 1.0 1.53 ? 22 ARG A HH11 8 22 . A ATOM 3403 H HH12 . ARG A 1 22 ? 11.692 2.121 -5.772 1.0 1.91 ? 22 ARG A HH12 8 22 . A ATOM 3404 H HH21 . ARG A 1 22 ? 11.089 -0.485 -8.019 1.0 2.25 ? 22 ARG A HH21 8 22 . A ATOM 3405 H HH22 . ARG A 1 22 ? 11.477 1.194 -7.844 1.0 2.34 ? 22 ARG A HH22 8 22 . A ATOM 3406 N N . LYS A 1 23 ? 11.205 -4.756 0.469 1.0 0.54 ? 23 LYS A N 8 23 . A ATOM 3407 C CA . LYS A 1 23 ? 11.731 -4.895 1.833 1.0 0.58 ? 23 LYS A CA 8 23 . A ATOM 3408 C C . LYS A 1 23 ? 12.067 -6.361 2.148 1.0 0.55 ? 23 LYS A C 8 23 . A ATOM 3409 O O . LYS A 1 23 ? 12.849 -6.639 3.062 1.0 0.59 ? 23 LYS A O 8 23 . A ATOM 3410 C CB . LYS A 1 23 ? 10.713 -4.359 2.847 1.0 0.76 ? 23 LYS A CB 8 23 . A ATOM 3411 C CG . LYS A 1 23 ? 11.341 -3.755 4.096 1.0 0.87 ? 23 LYS A CG 8 23 . A ATOM 3412 C CD . LYS A 1 23 ? 10.279 -3.241 5.058 1.0 0.92 ? 23 LYS A CD 8 23 . A ATOM 3413 C CE . LYS A 1 23 ? 10.895 -2.631 6.310 1.0 1.04 ? 23 LYS A CE 8 23 . A ATOM 3414 N NZ . LYS A 1 23 ? 11.442 -3.668 7.231 1.0 1.28 1 23 LYS A NZ 8 23 . A ATOM 3415 H H . LYS A 1 23 ? 10.235 -4.771 0.335 1.0 0.65 ? 23 LYS A H 8 23 . A ATOM 3416 H HA . LYS A 1 23 ? 12.636 -4.309 1.900 1.0 0.61 ? 23 LYS A HA 8 23 . A ATOM 3417 H HB2 . LYS A 1 23 ? 10.115 -3.598 2.369 1.0 0.93 ? 23 LYS A HB2 8 23 . A ATOM 3418 H HB3 . LYS A 1 23 ? 10.069 -5.171 3.152 1.0 0.93 ? 23 LYS A HB3 8 23 . A ATOM 3419 H HG2 . LYS A 1 23 ? 11.929 -4.511 4.595 1.0 1.19 ? 23 LYS A HG2 8 23 . A ATOM 3420 H HG3 . LYS A 1 23 ? 11.980 -2.933 3.805 1.0 1.25 ? 23 LYS A HG3 8 23 . A ATOM 3421 H HD2 . LYS A 1 23 ? 9.690 -2.488 4.557 1.0 1.26 ? 23 LYS A HD2 8 23 . A ATOM 3422 H HD3 . LYS A 1 23 ? 9.642 -4.065 5.346 1.0 1.17 ? 23 LYS A HD3 8 23 . A ATOM 3423 H HE2 . LYS A 1 23 ? 11.694 -1.968 6.015 1.0 1.4 ? 23 LYS A HE2 8 23 . A ATOM 3424 H HE3 . LYS A 1 23 ? 10.134 -2.066 6.829 1.0 1.42 ? 23 LYS A HE3 8 23 . A ATOM 3425 H HZ1 . LYS A 1 23 ? 10.684 -4.314 7.531 1.0 1.46 ? 23 LYS A HZ1 8 23 . A ATOM 3426 H HZ2 . LYS A 1 23 ? 11.852 -3.217 8.073 1.0 1.73 ? 23 LYS A HZ2 8 23 . A ATOM 3427 H HZ3 . LYS A 1 23 ? 12.182 -4.218 6.750 1.0 1.85 ? 23 LYS A HZ3 8 23 . A ATOM 3428 N N . ARG A 1 24 ? 11.469 -7.285 1.383 1.0 0.6 ? 24 ARG A N 8 24 . A ATOM 3429 C CA . ARG A 1 24 ? 11.699 -8.721 1.562 1.0 0.7 ? 24 ARG A CA 8 24 . A ATOM 3430 C C . ARG A 1 24 ? 12.805 -9.222 0.626 1.0 0.66 ? 24 ARG A C 8 24 . A ATOM 3431 O O . ARG A 1 24 ? 13.530 -10.161 0.967 1.0 0.76 ? 24 ARG A O 8 24 . A ATOM 3432 C CB . ARG A 1 24 ? 10.404 -9.501 1.309 1.0 0.89 ? 24 ARG A CB 8 24 . A ATOM 3433 C CG . ARG A 1 24 ? 10.242 -10.731 2.192 1.0 1.36 ? 24 ARG A CG 8 24 . A ATOM 3434 C CD . ARG A 1 24 ? 8.941 -11.459 1.896 1.0 1.41 ? 24 ARG A CD 8 24 . A ATOM 3435 N NE . ARG A 1 24 ? 8.730 -12.600 2.794 1.0 1.42 ? 24 ARG A NE 8 24 . A ATOM 3436 C CZ . ARG A 1 24 ? 7.710 -13.466 2.699 1.0 1.54 ? 24 ARG A CZ 8 24 . A ATOM 3437 N NH1 . ARG A 1 24 ? 6.789 -13.341 1.745 1.0 1.76 1 24 ARG A NH1 8 24 . A ATOM 3438 N NH2 . ARG A 1 24 ? 7.612 -14.462 3.568 1.0 1.78 ? 24 ARG A NH2 8 24 . A ATOM 3439 H H . ARG A 1 24 ? 10.856 -6.989 0.677 1.0 0.65 ? 24 ARG A H 8 24 . A ATOM 3440 H HA . ARG A 1 24 ? 12.010 -8.880 2.584 1.0 0.76 ? 24 ARG A HA 8 24 . A ATOM 3441 H HB2 . ARG A 1 24 ? 9.564 -8.846 1.484 1.0 0.92 ? 24 ARG A HB2 8 24 . A ATOM 3442 H HB3 . ARG A 1 24 ? 10.389 -9.822 0.277 1.0 1.17 ? 24 ARG A HB3 8 24 . A ATOM 3443 H HG2 . ARG A 1 24 ? 11.068 -11.403 2.013 1.0 1.78 ? 24 ARG A HG2 8 24 . A ATOM 3444 H HG3 . ARG A 1 24 ? 10.244 -10.421 3.227 1.0 1.59 ? 24 ARG A HG3 8 24 . A ATOM 3445 H HD2 . ARG A 1 24 ? 8.121 -10.766 2.013 1.0 1.52 ? 24 ARG A HD2 8 24 . A ATOM 3446 H HD3 . ARG A 1 24 ? 8.967 -11.816 0.877 1.0 1.59 ? 24 ARG A HD3 8 24 . A ATOM 3447 H HE . ARG A 1 24 ? 9.386 -12.732 3.510 1.0 1.58 ? 24 ARG A HE 8 24 . A ATOM 3448 H HH11 . ARG A 1 24 ? 6.851 -12.592 1.085 1.0 1.84 ? 24 ARG A HH11 8 24 . A ATOM 3449 H HH12 . ARG A 1 24 ? 6.035 -13.995 1.689 1.0 2.01 ? 24 ARG A HH12 8 24 . A ATOM 3450 H HH21 . ARG A 1 24 ? 8.296 -14.565 4.290 1.0 1.94 ? 24 ARG A HH21 8 24 . A ATOM 3451 H HH22 . ARG A 1 24 ? 6.853 -15.110 3.502 1.0 1.96 ? 24 ARG A HH22 8 24 . A ATOM 3452 N N . GLN A 1 25 ? 12.925 -8.587 -0.551 1.0 0.59 ? 25 GLN A N 8 25 . A ATOM 3453 C CA . GLN A 1 25 ? 13.939 -8.960 -1.544 1.0 0.62 ? 25 GLN A CA 8 25 . A ATOM 3454 C C . GLN A 1 25 ? 15.238 -8.172 -1.345 1.0 0.58 ? 25 GLN A C 8 25 . A ATOM 3455 O O . GLN A 1 25 ? 16.330 -8.744 -1.415 1.0 0.68 ? 25 GLN A O 8 25 . A ATOM 3456 C CB . GLN A 1 25 ? 13.407 -8.743 -2.966 1.0 0.7 ? 25 GLN A CB 8 25 . A ATOM 3457 C CG . GLN A 1 25 ? 12.384 -9.786 -3.407 1.0 1.11 ? 25 GLN A CG 8 25 . A ATOM 3458 C CD . GLN A 1 25 ? 11.905 -9.597 -4.840 1.0 1.18 ? 25 GLN A CD 8 25 . A ATOM 3459 O OE1 . GLN A 1 25 ? 12.651 -9.148 -5.714 1.0 1.5 ? 25 GLN A OE1 8 25 . A ATOM 3460 N NE2 . GLN A 1 25 ? 10.648 -9.944 -5.088 1.0 1.28 ? 25 GLN A NE2 8 25 . A ATOM 3461 H H . GLN A 1 25 ? 12.312 -7.850 -0.755 1.0 0.59 ? 25 GLN A H 8 25 . A ATOM 3462 H HA . GLN A 1 25 ? 14.153 -10.010 -1.411 1.0 0.73 ? 25 GLN A HA 8 25 . A ATOM 3463 H HB2 . GLN A 1 25 ? 12.941 -7.770 -3.018 1.0 0.73 ? 25 GLN A HB2 8 25 . A ATOM 3464 H HB3 . GLN A 1 25 ? 14.237 -8.772 -3.656 1.0 1.04 ? 25 GLN A HB3 8 25 . A ATOM 3465 H HG2 . GLN A 1 25 ? 12.831 -10.764 -3.323 1.0 1.51 ? 25 GLN A HG2 8 25 . A ATOM 3466 H HG3 . GLN A 1 25 ? 11.529 -9.728 -2.748 1.0 1.3 ? 25 GLN A HG3 8 25 . A ATOM 3467 H HE21 . GLN A 1 25 ? 10.110 -10.295 -4.348 1.0 1.53 ? 25 GLN A HE21 8 25 . A ATOM 3468 H HE22 . GLN A 1 25 ? 10.309 -9.836 -6.001 1.0 1.31 ? 25 GLN A HE22 8 25 . A ATOM 3469 N N . GLN A 1 26 ? 15.108 -6.862 -1.098 1.0 0.55 ? 26 GLN A N 8 26 . A ATOM 3470 C CA . GLN A 1 26 ? 16.267 -5.989 -0.888 1.0 0.64 ? 26 GLN A CA 8 26 . A ATOM 3471 C C . GLN A 1 26 ? 16.510 -5.743 0.603 1.0 0.76 ? 26 GLN A C 8 26 . A ATOM 3472 O O . GLN A 1 26 ? 17.626 -5.905 1.099 1.0 0.87 ? 26 GLN A O 8 26 . A ATOM 3473 C CB . GLN A 1 26 ? 16.083 -4.654 -1.624 1.0 0.78 ? 26 GLN A CB 8 26 . A ATOM 3474 C CG . GLN A 1 26 ? 16.227 -4.756 -3.135 1.0 0.82 ? 26 GLN A CG 8 26 . A ATOM 3475 C CD . GLN A 1 26 ? 16.015 -3.425 -3.830 1.0 1.06 ? 26 GLN A CD 8 26 . A ATOM 3476 O OE1 . GLN A 1 26 ? 14.895 -3.077 -4.201 1.0 1.31 ? 26 GLN A OE1 8 26 . A ATOM 3477 N NE2 . GLN A 1 26 ? 17.095 -2.672 -4.008 1.0 1.13 ? 26 GLN A NE2 8 26 . A ATOM 3478 H H . GLN A 1 26 ? 14.209 -6.474 -1.056 1.0 0.55 ? 26 GLN A H 8 26 . A ATOM 3479 H HA . GLN A 1 26 ? 17.131 -6.493 -1.296 1.0 0.63 ? 26 GLN A HA 8 26 . A ATOM 3480 H HB2 . GLN A 1 26 ? 15.098 -4.269 -1.405 1.0 0.84 ? 26 GLN A HB2 8 26 . A ATOM 3481 H HB3 . GLN A 1 26 ? 16.820 -3.953 -1.261 1.0 0.89 ? 26 GLN A HB3 8 26 . A ATOM 3482 H HG2 . GLN A 1 26 ? 17.220 -5.112 -3.366 1.0 0.8 ? 26 GLN A HG2 8 26 . A ATOM 3483 H HG3 . GLN A 1 26 ? 15.498 -5.461 -3.507 1.0 0.78 ? 26 GLN A HG3 8 26 . A ATOM 3484 H HE21 . GLN A 1 26 ? 17.955 -3.013 -3.686 1.0 1.11 ? 26 GLN A HE21 8 26 . A ATOM 3485 H HE22 . GLN A 1 26 ? 16.987 -1.806 -4.454 1.0 1.29 ? 26 GLN A HE22 8 26 . A HETATM 3486 N N . NH2 A 1 27 ? 15.454 -5.346 1.311 1.0 0.84 ? 27 NH2 A N 8 27 . A HETATM 3487 H HN1 . NH2 A 1 27 ? 14.598 -5.240 0.845 1.0 0.81 ? 27 NH2 A HN1 8 27 . A HETATM 3488 H HN2 . NH2 A 1 27 ? 15.575 -5.176 2.268 1.0 0.97 ? 27 NH2 A HN2 8 27 . A ATOM 3489 N N . GLY A 1 1 ? -13.528 8.069 9.369 1.0 2.35 ? 1 GLY A N 9 1 . A ATOM 3490 C CA . GLY A 1 1 ? -14.808 7.958 8.613 1.0 1.58 ? 1 GLY A CA 9 1 . A ATOM 3491 C C . GLY A 1 1 ? -14.668 7.149 7.337 1.0 1.16 ? 1 GLY A C 9 1 . A ATOM 3492 O O . GLY A 1 1 ? -13.551 6.804 6.935 1.0 1.12 ? 1 GLY A O 9 1 . A ATOM 3493 H H1 . GLY A 1 1 ? -13.185 7.123 9.631 1.0 2.47 ? 1 GLY A H1 9 1 . A ATOM 3494 H H2 . GLY A 1 1 ? -13.671 8.625 10.235 1.0 2.69 ? 1 GLY A H2 9 1 . A ATOM 3495 H H3 . GLY A 1 1 ? -12.807 8.538 8.784 1.0 2.71 ? 1 GLY A H3 9 1 . A ATOM 3496 H HA2 . GLY A 1 1 ? -15.546 7.487 9.245 1.0 1.5 ? 1 GLY A HA2 9 1 . A ATOM 3497 H HA3 . GLY A 1 1 ? -15.150 8.951 8.360 1.0 1.88 ? 1 GLY A HA3 9 1 . A ATOM 3498 N N . ILE A 1 2 ? -15.811 6.865 6.691 1.0 1.2 ? 2 ILE A N 9 2 . A ATOM 3499 C CA . ILE A 1 2 ? -15.855 6.083 5.437 1.0 1.08 ? 2 ILE A CA 9 2 . A ATOM 3500 C C . ILE A 1 2 ? -15.113 6.787 4.288 1.0 1.43 ? 2 ILE A C 9 2 . A ATOM 3501 O O . ILE A 1 2 ? -14.374 6.147 3.529 1.0 2.45 ? 2 ILE A O 9 2 . A ATOM 3502 C CB . ILE A 1 2 ? -17.316 5.758 4.991 1.0 1.15 ? 2 ILE A CB 9 2 . A ATOM 3503 C CG1 . ILE A 1 2 ? -18.224 7.009 5.008 1.0 1.4 ? 2 ILE A CG1 9 2 . A ATOM 3504 C CG2 . ILE A 1 2 ? -17.905 4.664 5.877 1.0 1.45 ? 2 ILE A CG2 9 2 . A ATOM 3505 C CD1 . ILE A 1 2 ? -19.175 7.089 3.829 1.0 1.69 ? 2 ILE A CD1 9 2 . A ATOM 3506 H H . ILE A 1 2 ? -16.655 7.191 7.068 1.0 1.54 ? 2 ILE A H 9 2 . A ATOM 3507 H HA . ILE A 1 2 ? -15.358 5.144 5.631 1.0 1.12 ? 2 ILE A HA 9 2 . A ATOM 3508 H HB . ILE A 1 2 ? -17.274 5.372 3.983 1.0 1.36 ? 2 ILE A HB 9 2 . A ATOM 3509 H HG12 . ILE A 1 2 ? -18.817 7.004 5.910 1.0 1.59 ? 2 ILE A HG12 9 2 . A ATOM 3510 H HG13 . ILE A 1 2 ? -17.604 7.893 4.996 1.0 1.58 ? 2 ILE A HG13 9 2 . A ATOM 3511 H HG21 . ILE A 1 2 ? -18.916 4.452 5.562 1.0 1.73 ? 2 ILE A HG21 9 2 . A ATOM 3512 H HG22 . ILE A 1 2 ? -17.911 4.997 6.905 1.0 1.49 ? 2 ILE A HG22 9 2 . A ATOM 3513 H HG23 . ILE A 1 2 ? -17.307 3.770 5.792 1.0 1.68 ? 2 ILE A HG23 9 2 . A ATOM 3514 H HD11 . ILE A 1 2 ? -18.609 7.091 2.909 1.0 2.05 ? 2 ILE A HD11 9 2 . A ATOM 3515 H HD12 . ILE A 1 2 ? -19.756 7.997 3.896 1.0 1.74 ? 2 ILE A HD12 9 2 . A ATOM 3516 H HD13 . ILE A 1 2 ? -19.837 6.236 3.842 1.0 1.76 ? 2 ILE A HD13 9 2 . A ATOM 3517 N N . GLY A 1 3 ? -15.311 8.111 4.188 1.0 1.01 ? 3 GLY A N 9 3 . A ATOM 3518 C CA . GLY A 1 3 ? -14.667 8.914 3.149 1.0 1.23 ? 3 GLY A CA 9 3 . A ATOM 3519 C C . GLY A 1 3 ? -13.166 9.077 3.359 1.0 0.93 ? 3 GLY A C 9 3 . A ATOM 3520 O O . GLY A 1 3 ? -12.417 9.236 2.391 1.0 1.16 ? 3 GLY A O 9 3 . A ATOM 3521 H H . GLY A 1 3 ? -15.907 8.549 4.831 1.0 1.23 ? 3 GLY A H 9 3 . A ATOM 3522 H HA2 . GLY A 1 3 ? -14.832 8.440 2.193 1.0 1.67 ? 3 GLY A HA2 9 3 . A ATOM 3523 H HA3 . GLY A 1 3 ? -15.124 9.892 3.134 1.0 1.55 ? 3 GLY A HA3 9 3 . A ATOM 3524 N N . ALA A 1 4 ? -12.733 9.023 4.631 1.0 0.96 ? 4 ALA A N 9 4 . A ATOM 3525 C CA . ALA A 1 4 ? -11.316 9.157 4.990 1.0 0.91 ? 4 ALA A CA 9 4 . A ATOM 3526 C C . ALA A 1 4 ? -10.545 7.863 4.713 1.0 0.91 ? 4 ALA A C 9 4 . A ATOM 3527 O O . ALA A 1 4 ? -9.441 7.901 4.162 1.0 1.37 ? 4 ALA A O 9 4 . A ATOM 3528 C CB . ALA A 1 4 ? -11.174 9.563 6.451 1.0 1.32 ? 4 ALA A CB 9 4 . A ATOM 3529 H H . ALA A 1 4 ? -13.389 8.890 5.346 1.0 1.33 ? 4 ALA A H 9 4 . A ATOM 3530 H HA . ALA A 1 4 ? -10.896 9.946 4.382 1.0 1.01 ? 4 ALA A HA 9 4 . A ATOM 3531 H HB1 . ALA A 1 4 ? -11.553 8.774 7.083 1.0 1.53 ? 4 ALA A HB1 9 4 . A ATOM 3532 H HB2 . ALA A 1 4 ? -11.735 10.468 6.630 1.0 1.55 ? 4 ALA A HB2 9 4 . A ATOM 3533 H HB3 . ALA A 1 4 ? -10.131 9.736 6.676 1.0 1.62 ? 4 ALA A HB3 9 4 . A ATOM 3534 N N . VAL A 1 5 ? -11.144 6.716 5.084 1.0 0.84 ? 5 VAL A N 9 5 . A ATOM 3535 C CA . VAL A 1 5 ? -10.520 5.397 4.862 1.0 0.86 ? 5 VAL A CA 9 5 . A ATOM 3536 C C . VAL A 1 5 ? -10.558 4.994 3.378 1.0 0.72 ? 5 VAL A C 9 5 . A ATOM 3537 O O . VAL A 1 5 ? -9.730 4.204 2.924 1.0 0.86 ? 5 VAL A O 9 5 . A ATOM 3538 C CB . VAL A 1 5 ? -11.161 4.267 5.727 1.0 1.06 ? 5 VAL A CB 9 5 . A ATOM 3539 C CG1 . VAL A 1 5 ? -10.750 4.411 7.185 1.0 1.28 ? 5 VAL A CG1 9 5 . A ATOM 3540 C CG2 . VAL A 1 5 ? -12.688 4.234 5.610 1.0 1.11 ? 5 VAL A CG2 9 5 . A ATOM 3541 H H . VAL A 1 5 ? -12.023 6.758 5.516 1.0 1.11 ? 5 VAL A H 9 5 . A ATOM 3542 H HA . VAL A 1 5 ? -9.483 5.486 5.156 1.0 0.96 ? 5 VAL A HA 9 5 . A ATOM 3543 H HB . VAL A 1 5 ? -10.779 3.321 5.370 1.0 1.11 ? 5 VAL A HB 9 5 . A ATOM 3544 H HG11 . VAL A 1 5 ? -11.189 3.612 7.764 1.0 1.45 ? 5 VAL A HG11 9 5 . A ATOM 3545 H HG12 . VAL A 1 5 ? -11.095 5.362 7.564 1.0 1.25 ? 5 VAL A HG12 9 5 . A ATOM 3546 H HG13 . VAL A 1 5 ? -9.674 4.362 7.263 1.0 1.33 ? 5 VAL A HG13 9 5 . A ATOM 3547 H HG21 . VAL A 1 5 ? -12.968 4.111 4.574 1.0 1.32 ? 5 VAL A HG21 9 5 . A ATOM 3548 H HG22 . VAL A 1 5 ? -13.095 5.161 5.985 1.0 1.19 ? 5 VAL A HG22 9 5 . A ATOM 3549 H HG23 . VAL A 1 5 ? -13.076 3.410 6.190 1.0 1.46 ? 5 VAL A HG23 9 5 . A ATOM 3550 N N . LEU A 1 6 ? -11.521 5.559 2.635 1.0 0.63 ? 6 LEU A N 9 6 . A ATOM 3551 C CA . LEU A 1 6 ? -11.677 5.277 1.205 1.0 0.66 ? 6 LEU A CA 9 6 . A ATOM 3552 C C . LEU A 1 6 ? -10.752 6.165 0.357 1.0 0.68 ? 6 LEU A C 9 6 . A ATOM 3553 O O . LEU A 1 6 ? -10.161 5.695 -0.620 1.0 1.05 ? 6 LEU A O 9 6 . A ATOM 3554 C CB . LEU A 1 6 ? -13.143 5.489 0.787 1.0 0.8 ? 6 LEU A CB 9 6 . A ATOM 3555 C CG . LEU A 1 6 ? -13.612 4.702 -0.445 1.0 0.91 ? 6 LEU A CG 9 6 . A ATOM 3556 C CD1 . LEU A 1 6 ? -14.074 3.303 -0.053 1.0 1.08 ? 6 LEU A CD1 9 6 . A ATOM 3557 C CD2 . LEU A 1 6 ? -14.728 5.450 -1.159 1.0 1.13 ? 6 LEU A CD2 9 6 . A ATOM 3558 H H . LEU A 1 6 ? -12.143 6.183 3.064 1.0 0.71 ? 6 LEU A H 9 6 . A ATOM 3559 H HA . LEU A 1 6 ? -11.413 4.243 1.041 1.0 0.75 ? 6 LEU A HA 9 6 . A ATOM 3560 H HB2 . LEU A 1 6 ? -13.772 5.214 1.621 1.0 0.88 ? 6 LEU A HB2 9 6 . A ATOM 3561 H HB3 . LEU A 1 6 ? -13.286 6.541 0.587 1.0 0.89 ? 6 LEU A HB3 9 6 . A ATOM 3562 H HG . LEU A 1 6 ? -12.786 4.599 -1.133 1.0 1.1 ? 6 LEU A HG 9 6 . A ATOM 3563 H HD11 . LEU A 1 6 ? -14.373 2.761 -0.938 1.0 1.22 ? 6 LEU A HD11 9 6 . A ATOM 3564 H HD12 . LEU A 1 6 ? -14.913 3.378 0.623 1.0 1.49 ? 6 LEU A HD12 9 6 . A ATOM 3565 H HD13 . LEU A 1 6 ? -13.265 2.779 0.434 1.0 1.18 ? 6 LEU A HD13 9 6 . A ATOM 3566 H HD21 . LEU A 1 6 ? -15.546 5.615 -0.473 1.0 1.24 ? 6 LEU A HD21 9 6 . A ATOM 3567 H HD22 . LEU A 1 6 ? -15.075 4.866 -1.998 1.0 1.27 ? 6 LEU A HD22 9 6 . A ATOM 3568 H HD23 . LEU A 1 6 ? -14.357 6.401 -1.511 1.0 1.31 ? 6 LEU A HD23 9 6 . A ATOM 3569 N N . LYS A 1 7 ? -10.614 7.438 0.762 1.0 0.57 ? 7 LYS A N 9 7 . A ATOM 3570 C CA . LYS A 1 7 ? -9.778 8.411 0.041 1.0 0.64 ? 7 LYS A CA 9 7 . A ATOM 3571 C C . LYS A 1 7 ? -8.286 8.285 0.385 1.0 0.66 ? 7 LYS A C 9 7 . A ATOM 3572 O O . LYS A 1 7 ? -7.438 8.778 -0.365 1.0 0.74 ? 7 LYS A O 9 7 . A ATOM 3573 C CB . LYS A 1 7 ? -10.254 9.837 0.348 1.0 0.73 ? 7 LYS A CB 9 7 . A ATOM 3574 C CG . LYS A 1 7 ? -10.421 10.721 -0.885 1.0 1.05 ? 7 LYS A CG 9 7 . A ATOM 3575 C CD . LYS A 1 7 ? -11.810 10.577 -1.501 1.0 1.19 ? 7 LYS A CD 9 7 . A ATOM 3576 C CE . LYS A 1 7 ? -11.991 11.486 -2.708 1.0 1.59 ? 7 LYS A CE 9 7 . A ATOM 3577 N NZ . LYS A 1 7 ? -11.244 10.994 -3.900 1.0 1.52 1 7 LYS A NZ 9 7 . A ATOM 3578 H H . LYS A 1 7 ? -11.088 7.731 1.569 1.0 0.69 ? 7 LYS A H 9 7 . A ATOM 3579 H HA . LYS A 1 7 ? -9.902 8.227 -1.014 1.0 0.7 ? 7 LYS A HA 9 7 . A ATOM 3580 H HB2 . LYS A 1 7 ? -11.206 9.782 0.853 1.0 0.78 ? 7 LYS A HB2 9 7 . A ATOM 3581 H HB3 . LYS A 1 7 ? -9.536 10.307 1.006 1.0 0.92 ? 7 LYS A HB3 9 7 . A ATOM 3582 H HG2 . LYS A 1 7 ? -10.275 11.753 -0.599 1.0 1.52 ? 7 LYS A HG2 9 7 . A ATOM 3583 H HG3 . LYS A 1 7 ? -9.680 10.443 -1.620 1.0 1.25 ? 7 LYS A HG3 9 7 . A ATOM 3584 H HD2 . LYS A 1 7 ? -11.948 9.553 -1.813 1.0 1.19 ? 7 LYS A HD2 9 7 . A ATOM 3585 H HD3 . LYS A 1 7 ? -12.550 10.831 -0.756 1.0 1.49 ? 7 LYS A HD3 9 7 . A ATOM 3586 H HE2 . LYS A 1 7 ? -13.043 11.535 -2.951 1.0 1.94 ? 7 LYS A HE2 9 7 . A ATOM 3587 H HE3 . LYS A 1 7 ? -11.637 12.474 -2.454 1.0 2.19 ? 7 LYS A HE3 9 7 . A ATOM 3588 H HZ1 . LYS A 1 7 ? -10.227 10.941 -3.687 1.0 2.02 ? 7 LYS A HZ1 9 7 . A ATOM 3589 H HZ2 . LYS A 1 7 ? -11.385 11.640 -4.703 1.0 1.72 ? 7 LYS A HZ2 9 7 . A ATOM 3590 H HZ3 . LYS A 1 7 ? -11.581 10.047 -4.168 1.0 1.75 ? 7 LYS A HZ3 9 7 . A ATOM 3591 N N . VAL A 1 8 ? -7.971 7.632 1.513 1.0 0.65 ? 8 VAL A N 9 8 . A ATOM 3592 C CA . VAL A 1 8 ? -6.574 7.463 1.940 1.0 0.75 ? 8 VAL A CA 9 8 . A ATOM 3593 C C . VAL A 1 8 ? -6.094 6.017 1.729 1.0 0.73 ? 8 VAL A C 9 8 . A ATOM 3594 O O . VAL A 1 8 ? -4.970 5.806 1.263 1.0 1.09 ? 8 VAL A O 9 8 . A ATOM 3595 C CB . VAL A 1 8 ? -6.362 7.890 3.429 1.0 0.88 ? 8 VAL A CB 9 8 . A ATOM 3596 C CG1 . VAL A 1 8 ? -4.897 7.767 3.855 1.0 0.99 ? 8 VAL A CG1 9 8 . A ATOM 3597 C CG2 . VAL A 1 8 ? -6.839 9.322 3.659 1.0 0.86 ? 8 VAL A CG2 9 8 . A ATOM 3598 H H . VAL A 1 8 ? -8.689 7.260 2.066 1.0 0.62 ? 8 VAL A H 9 8 . A ATOM 3599 H HA . VAL A 1 8 ? -5.970 8.111 1.321 1.0 0.81 ? 8 VAL A HA 9 8 . A ATOM 3600 H HB . VAL A 1 8 ? -6.950 7.236 4.056 1.0 0.96 ? 8 VAL A HB 9 8 . A ATOM 3601 H HG11 . VAL A 1 8 ? -4.573 6.743 3.734 1.0 1.09 ? 8 VAL A HG11 9 8 . A ATOM 3602 H HG12 . VAL A 1 8 ? -4.797 8.055 4.890 1.0 0.94 ? 8 VAL A HG12 9 8 . A ATOM 3603 H HG13 . VAL A 1 8 ? -4.288 8.413 3.240 1.0 1.05 ? 8 VAL A HG13 9 8 . A ATOM 3604 H HG21 . VAL A 1 8 ? -7.895 9.388 3.443 1.0 1.28 ? 8 VAL A HG21 9 8 . A ATOM 3605 H HG22 . VAL A 1 8 ? -6.296 9.991 3.007 1.0 1.02 ? 8 VAL A HG22 9 8 . A ATOM 3606 H HG23 . VAL A 1 8 ? -6.663 9.600 4.687 1.0 1.3 ? 8 VAL A HG23 9 8 . A ATOM 3607 N N . LEU A 1 9 ? -6.940 5.034 2.070 1.0 0.61 ? 9 LEU A N 9 9 . A ATOM 3608 C CA . LEU A 1 9 ? -6.570 3.619 1.926 1.0 0.66 ? 9 LEU A CA 9 9 . A ATOM 3609 C C . LEU A 1 9 ? -7.004 3.040 0.575 1.0 0.63 ? 9 LEU A C 9 9 . A ATOM 3610 O O . LEU A 1 9 ? -6.295 2.200 0.012 1.0 0.8 ? 9 LEU A O 9 9 . A ATOM 3611 C CB . LEU A 1 9 ? -7.167 2.785 3.068 1.0 0.82 ? 9 LEU A CB 9 9 . A ATOM 3612 C CG . LEU A 1 9 ? -6.252 1.696 3.650 1.0 0.99 ? 9 LEU A CG 9 9 . A ATOM 3613 C CD1 . LEU A 1 9 ? -6.701 1.327 5.055 1.0 1.17 ? 9 LEU A CD1 9 9 . A ATOM 3614 C CD2 . LEU A 1 9 ? -6.238 0.455 2.761 1.0 1.19 ? 9 LEU A CD2 9 9 . A ATOM 3615 H H . LEU A 1 9 ? -7.824 5.264 2.423 1.0 0.78 ? 9 LEU A H 9 9 . A ATOM 3616 H HA . LEU A 1 9 ? -5.494 3.563 1.987 1.0 0.73 ? 9 LEU A HA 9 9 . A ATOM 3617 H HB2 . LEU A 1 9 ? -7.441 3.458 3.867 1.0 0.84 ? 9 LEU A HB2 9 9 . A ATOM 3618 H HB3 . LEU A 1 9 ? -8.065 2.308 2.702 1.0 0.9 ? 9 LEU A HB3 9 9 . A ATOM 3619 H HG . LEU A 1 9 ? -5.243 2.076 3.713 1.0 1.16 ? 9 LEU A HG 9 9 . A ATOM 3620 H HD11 . LEU A 1 9 ? -6.046 0.567 5.454 1.0 1.48 ? 9 LEU A HD11 9 9 . A ATOM 3621 H HD12 . LEU A 1 9 ? -7.712 0.949 5.023 1.0 1.24 ? 9 LEU A HD12 9 9 . A ATOM 3622 H HD13 . LEU A 1 9 ? -6.663 2.202 5.687 1.0 1.43 ? 9 LEU A HD13 9 9 . A ATOM 3623 H HD21 . LEU A 1 9 ? -7.245 0.082 2.648 1.0 1.29 ? 9 LEU A HD21 9 9 . A ATOM 3624 H HD22 . LEU A 1 9 ? -5.622 -0.306 3.216 1.0 1.33 ? 9 LEU A HD22 9 9 . A ATOM 3625 H HD23 . LEU A 1 9 ? -5.837 0.712 1.792 1.0 1.33 ? 9 LEU A HD23 9 9 . A ATOM 3626 N N . THR A 1 10 ? -8.160 3.485 0.060 1.0 0.58 ? 10 THR A N 9 10 . A ATOM 3627 C CA . THR A 1 10 ? -8.669 2.992 -1.224 1.0 0.7 ? 10 THR A CA 9 10 . A ATOM 3628 C C . THR A 1 10 ? -8.266 3.940 -2.368 1.0 0.7 ? 10 THR A C 9 10 . A ATOM 3629 O O . THR A 1 10 ? -9.113 4.570 -3.013 1.0 0.88 ? 10 THR A O 9 10 . A ATOM 3630 C CB . THR A 1 10 ? -10.210 2.792 -1.197 1.0 0.82 ? 10 THR A CB 9 10 . A ATOM 3631 O OG1 . THR A 1 10 ? -10.647 2.474 0.130 1.0 0.97 ? 10 THR A OG1 9 10 . A ATOM 3632 C CG2 . THR A 1 10 ? -10.638 1.673 -2.141 1.0 1.05 ? 10 THR A CG2 9 10 . A ATOM 3633 H H . THR A 1 10 ? -8.677 4.155 0.554 1.0 0.61 ? 10 THR A H 9 10 . A ATOM 3634 H HA . THR A 1 10 ? -8.210 2.029 -1.404 1.0 0.8 ? 10 THR A HA 9 10 . A ATOM 3635 H HB . THR A 1 10 ? -10.682 3.710 -1.514 1.0 0.97 ? 10 THR A HB 9 10 . A ATOM 3636 H HG1 . THR A 1 10 ? -9.886 2.265 0.676 1.0 1.15 ? 10 THR A HG1 9 10 . A ATOM 3637 H HG21 . THR A 1 10 ? -10.330 1.912 -3.148 1.0 1.35 ? 10 THR A HG21 9 10 . A ATOM 3638 H HG22 . THR A 1 10 ? -11.713 1.568 -2.109 1.0 1.45 ? 10 THR A HG22 9 10 . A ATOM 3639 H HG23 . THR A 1 10 ? -10.177 0.747 -1.833 1.0 1.46 ? 10 THR A HG23 9 10 . A ATOM 3640 N N . THR A 1 11 ? -6.949 4.035 -2.592 1.0 0.59 ? 11 THR A N 9 11 . A ATOM 3641 C CA . THR A 1 11 ? -6.381 4.884 -3.646 1.0 0.7 ? 11 THR A CA 9 11 . A ATOM 3642 C C . THR A 1 11 ? -5.129 4.245 -4.249 1.0 0.8 ? 11 THR A C 9 11 . A ATOM 3643 O O . THR A 1 11 ? -4.967 4.220 -5.473 1.0 1.51 ? 11 THR A O 9 11 . A ATOM 3644 C CB . THR A 1 11 ? -6.022 6.295 -3.126 1.0 0.65 ? 11 THR A CB 9 11 . A ATOM 3645 O OG1 . THR A 1 11 ? -5.342 6.201 -1.867 1.0 0.51 ? 11 THR A OG1 9 11 . A ATOM 3646 C CG2 . THR A 1 11 ? -7.269 7.156 -2.975 1.0 0.76 ? 11 THR A CG2 9 11 . A ATOM 3647 H H . THR A 1 11 ? -6.339 3.517 -2.027 1.0 0.51 ? 11 THR A H 9 11 . A ATOM 3648 H HA . THR A 1 11 ? -7.125 4.989 -4.423 1.0 0.88 ? 11 THR A HA 9 11 . A ATOM 3649 H HB . THR A 1 11 ? -5.365 6.767 -3.842 1.0 0.76 ? 11 THR A HB 9 11 . A ATOM 3650 H HG1 . THR A 1 11 ? -5.674 5.444 -1.379 1.0 0.97 ? 11 THR A HG1 9 11 . A ATOM 3651 H HG21 . THR A 1 11 ? -7.751 7.264 -3.935 1.0 1.28 ? 11 THR A HG21 9 11 . A ATOM 3652 H HG22 . THR A 1 11 ? -6.991 8.130 -2.600 1.0 1.01 ? 11 THR A HG22 9 11 . A ATOM 3653 H HG23 . THR A 1 11 ? -7.950 6.685 -2.282 1.0 1.16 ? 11 THR A HG23 9 11 . A ATOM 3654 N N . GLY A 1 12 ? -4.251 3.733 -3.375 1.0 0.88 ? 12 GLY A N 9 12 . A ATOM 3655 C CA . GLY A 1 12 ? -3.019 3.093 -3.816 1.0 0.94 ? 12 GLY A CA 9 12 . A ATOM 3656 C C . GLY A 1 12 ? -2.823 1.726 -3.187 1.0 0.89 ? 12 GLY A C 9 12 . A ATOM 3657 O O . GLY A 1 12 ? -2.607 1.622 -1.977 1.0 0.98 ? 12 GLY A O 9 12 . A ATOM 3658 H H . GLY A 1 12 ? -4.446 3.792 -2.417 1.0 1.39 ? 12 GLY A H 9 12 . A ATOM 3659 H HA2 . GLY A 1 12 ? -3.048 2.982 -4.890 1.0 1.07 ? 12 GLY A HA2 9 12 . A ATOM 3660 H HA3 . GLY A 1 12 ? -2.184 3.723 -3.551 1.0 0.97 ? 12 GLY A HA3 9 12 . A ATOM 3661 N N . LEU A 1 13 ? -2.897 0.682 -4.018 1.0 0.8 ? 13 LEU A N 9 13 . A ATOM 3662 C CA . LEU A 1 13 ? -2.735 -0.700 -3.559 1.0 0.75 ? 13 LEU A CA 9 13 . A ATOM 3663 C C . LEU A 1 13 ? -1.350 -1.283 -3.917 1.0 0.67 ? 13 LEU A C 9 13 . A ATOM 3664 O O . LEU A 1 13 ? -0.736 -1.921 -3.056 1.0 0.63 ? 13 LEU A O 9 13 . A ATOM 3665 C CB . LEU A 1 13 ? -3.850 -1.592 -4.130 1.0 0.84 ? 13 LEU A CB 9 13 . A ATOM 3666 C CG . LEU A 1 13 ? -5.080 -1.778 -3.229 1.0 0.93 ? 13 LEU A CG 9 13 . A ATOM 3667 C CD1 . LEU A 1 13 ? -6.070 -0.632 -3.408 1.0 1.5 ? 13 LEU A CD1 9 13 . A ATOM 3668 C CD2 . LEU A 1 13 ? -5.751 -3.111 -3.522 1.0 1.2 ? 13 LEU A CD2 9 13 . A ATOM 3669 H H . LEU A 1 13 ? -3.067 0.846 -4.968 1.0 0.8 ? 13 LEU A H 9 13 . A ATOM 3670 H HA . LEU A 1 13 ? -2.824 -0.689 -2.484 1.0 0.77 ? 13 LEU A HA 9 13 . A ATOM 3671 H HB2 . LEU A 1 13 ? -4.182 -1.162 -5.063 1.0 1.04 ? 13 LEU A HB2 9 13 . A ATOM 3672 H HB3 . LEU A 1 13 ? -3.431 -2.566 -4.332 1.0 0.87 ? 13 LEU A HB3 9 13 . A ATOM 3673 H HG . LEU A 1 13 ? -4.765 -1.785 -2.196 1.0 1.14 ? 13 LEU A HG 9 13 . A ATOM 3674 H HD11 . LEU A 1 13 ? -6.924 -0.791 -2.766 1.0 1.65 ? 13 LEU A HD11 9 13 . A ATOM 3675 H HD12 . LEU A 1 13 ? -6.396 -0.596 -4.437 1.0 1.79 ? 13 LEU A HD12 9 13 . A ATOM 3676 H HD13 . LEU A 1 13 ? -5.593 0.301 -3.149 1.0 1.82 ? 13 LEU A HD13 9 13 . A ATOM 3677 H HD21 . LEU A 1 13 ? -6.047 -3.144 -4.560 1.0 1.54 ? 13 LEU A HD21 9 13 . A ATOM 3678 H HD22 . LEU A 1 13 ? -6.624 -3.219 -2.895 1.0 1.48 ? 13 LEU A HD22 9 13 . A ATOM 3679 H HD23 . LEU A 1 13 ? -5.059 -3.915 -3.318 1.0 1.47 ? 13 LEU A HD23 9 13 . A ATOM 3680 N N . PRO A 1 14 ? -0.813 -1.094 -5.177 1.0 0.71 ? 14 PRO A N 9 14 . A ATOM 3681 C CA . PRO A 1 14 ? 0.513 -1.641 -5.568 1.0 0.73 ? 14 PRO A CA 9 14 . A ATOM 3682 C C . PRO A 1 14 ? 1.699 -1.004 -4.828 1.0 0.75 ? 14 PRO A C 9 14 . A ATOM 3683 O O . PRO A 1 14 ? 2.833 -1.476 -4.955 1.0 0.92 ? 14 PRO A O 9 14 . A ATOM 3684 C CB . PRO A 1 14 ? 0.614 -1.336 -7.071 1.0 0.85 ? 14 PRO A CB 9 14 . A ATOM 3685 C CG . PRO A 1 14 ? -0.769 -1.002 -7.508 1.0 0.91 ? 14 PRO A CG 9 14 . A ATOM 3686 C CD . PRO A 1 14 ? -1.429 -0.373 -6.319 1.0 0.81 ? 14 PRO A CD 9 14 . A ATOM 3687 H HA . PRO A 1 14 ? 0.546 -2.711 -5.420 1.0 0.7 ? 14 PRO A HA 9 14 . A ATOM 3688 H HB2 . PRO A 1 14 ? 1.282 -0.498 -7.228 1.0 0.9 ? 14 PRO A HB2 9 14 . A ATOM 3689 H HB3 . PRO A 1 14 ? 0.972 -2.203 -7.603 1.0 0.93 ? 14 PRO A HB3 9 14 . A ATOM 3690 H HG2 . PRO A 1 14 ? -0.736 -0.307 -8.337 1.0 1.08 ? 14 PRO A HG2 9 14 . A ATOM 3691 H HG3 . PRO A 1 14 ? -1.296 -1.901 -7.788 1.0 1.01 ? 14 PRO A HG3 9 14 . A ATOM 3692 H HD2 . PRO A 1 14 ? -1.204 0.683 -6.277 1.0 0.9 ? 14 PRO A HD2 9 14 . A ATOM 3693 H HD3 . PRO A 1 14 ? -2.494 -0.534 -6.348 1.0 0.84 ? 14 PRO A HD3 9 14 . A ATOM 3694 N N . ALA A 1 15 ? 1.431 0.060 -4.051 1.0 0.67 ? 15 ALA A N 9 15 . A ATOM 3695 C CA . ALA A 1 15 ? 2.472 0.761 -3.286 1.0 0.73 ? 15 ALA A CA 9 15 . A ATOM 3696 C C . ALA A 1 15 ? 2.925 -0.058 -2.071 1.0 0.73 ? 15 ALA A C 9 15 . A ATOM 3697 O O . ALA A 1 15 ? 4.125 -0.149 -1.788 1.0 0.88 ? 15 ALA A O 9 15 . A ATOM 3698 C CB . ALA A 1 15 ? 1.976 2.133 -2.850 1.0 0.8 ? 15 ALA A CB 9 15 . A ATOM 3699 H H . ALA A 1 15 ? 0.506 0.379 -3.992 1.0 0.63 ? 15 ALA A H 9 15 . A ATOM 3700 H HA . ALA A 1 15 ? 3.320 0.905 -3.941 1.0 0.77 ? 15 ALA A HA 9 15 . A ATOM 3701 H HB1 . ALA A 1 15 ? 1.658 2.693 -3.717 1.0 0.79 ? 15 ALA A HB1 9 15 . A ATOM 3702 H HB2 . ALA A 1 15 ? 2.775 2.663 -2.352 1.0 0.92 ? 15 ALA A HB2 9 15 . A ATOM 3703 H HB3 . ALA A 1 15 ? 1.143 2.017 -2.171 1.0 0.78 ? 15 ALA A HB3 9 15 . A ATOM 3704 N N . LEU A 1 16 ? 1.952 -0.665 -1.372 1.0 0.64 ? 16 LEU A N 9 16 . A ATOM 3705 C CA . LEU A 1 16 ? 2.226 -1.497 -0.191 1.0 0.67 ? 16 LEU A CA 9 16 . A ATOM 3706 C C . LEU A 1 16 ? 2.819 -2.851 -0.597 1.0 0.63 ? 16 LEU A C 9 16 . A ATOM 3707 O O . LEU A 1 16 ? 3.672 -3.400 0.109 1.0 0.76 ? 16 LEU A O 9 16 . A ATOM 3708 C CB . LEU A 1 16 ? 0.942 -1.709 0.625 1.0 0.75 ? 16 LEU A CB 9 16 . A ATOM 3709 C CG . LEU A 1 16 ? 0.372 -0.453 1.298 1.0 0.96 ? 16 LEU A CG 9 16 . A ATOM 3710 C CD1 . LEU A 1 16 ? -1.138 -0.563 1.434 1.0 1.2 ? 16 LEU A CD1 9 16 . A ATOM 3711 C CD2 . LEU A 1 16 ? 1.009 -0.231 2.665 1.0 1.23 ? 16 LEU A CD2 9 16 . A ATOM 3712 H H . LEU A 1 16 ? 1.022 -0.549 -1.659 1.0 0.63 ? 16 LEU A H 9 16 . A ATOM 3713 H HA . LEU A 1 16 ? 2.946 -0.974 0.420 1.0 0.72 ? 16 LEU A HA 9 16 . A ATOM 3714 H HB2 . LEU A 1 16 ? 0.187 -2.111 -0.035 1.0 0.81 ? 16 LEU A HB2 9 16 . A ATOM 3715 H HB3 . LEU A 1 16 ? 1.147 -2.438 1.393 1.0 0.95 ? 16 LEU A HB3 9 16 . A ATOM 3716 H HG . LEU A 1 16 ? 0.589 0.408 0.682 1.0 1.21 ? 16 LEU A HG 9 16 . A ATOM 3717 H HD11 . LEU A 1 16 ? -1.521 0.321 1.922 1.0 1.66 ? 16 LEU A HD11 9 16 . A ATOM 3718 H HD12 . LEU A 1 16 ? -1.384 -1.435 2.022 1.0 1.38 ? 16 LEU A HD12 9 16 . A ATOM 3719 H HD13 . LEU A 1 16 ? -1.582 -0.654 0.453 1.0 1.32 ? 16 LEU A HD13 9 16 . A ATOM 3720 H HD21 . LEU A 1 16 ? 0.811 -1.084 3.297 1.0 1.24 ? 16 LEU A HD21 9 16 . A ATOM 3721 H HD22 . LEU A 1 16 ? 0.593 0.657 3.117 1.0 1.49 ? 16 LEU A HD22 9 16 . A ATOM 3722 H HD23 . LEU A 1 16 ? 2.076 -0.109 2.549 1.0 1.81 ? 16 LEU A HD23 9 16 . A ATOM 3723 N N . ILE A 1 17 ? 2.368 -3.366 -1.757 1.0 0.53 ? 17 ILE A N 9 17 . A ATOM 3724 C CA . ILE A 1 17 ? 2.848 -4.648 -2.305 1.0 0.52 ? 17 ILE A CA 9 17 . A ATOM 3725 C C . ILE A 1 17 ? 4.304 -4.503 -2.785 1.0 0.53 ? 17 ILE A C 9 17 . A ATOM 3726 O O . ILE A 1 17 ? 5.120 -5.415 -2.608 1.0 0.63 ? 17 ILE A O 9 17 . A ATOM 3727 C CB . ILE A 1 17 ? 1.956 -5.157 -3.492 1.0 0.54 ? 17 ILE A CB 9 17 . A ATOM 3728 C CG1 . ILE A 1 17 ? 0.438 -4.884 -3.264 1.0 0.6 ? 17 ILE A CG1 9 17 . A ATOM 3729 C CG2 . ILE A 1 17 ? 2.198 -6.648 -3.767 1.0 0.58 ? 17 ILE A CG2 9 17 . A ATOM 3730 C CD1 . ILE A 1 17 ? -0.156 -5.424 -1.963 1.0 0.64 ? 17 ILE A CD1 9 17 . A ATOM 3731 H H . ILE A 1 17 ? 1.691 -2.866 -2.259 1.0 0.54 ? 17 ILE A H 9 17 . A ATOM 3732 H HA . ILE A 1 17 ? 2.812 -5.381 -1.513 1.0 0.55 ? 17 ILE A HA 9 17 . A ATOM 3733 H HB . ILE A 1 17 ? 2.268 -4.620 -4.376 1.0 0.55 ? 17 ILE A HB 9 17 . A ATOM 3734 H HG12 . ILE A 1 17 ? 0.275 -3.818 -3.270 1.0 0.61 ? 17 ILE A HG12 9 17 . A ATOM 3735 H HG13 . ILE A 1 17 ? -0.116 -5.322 -4.083 1.0 0.64 ? 17 ILE A HG13 9 17 . A ATOM 3736 H HG21 . ILE A 1 17 ? 1.552 -6.976 -4.569 1.0 1.05 ? 17 ILE A HG21 9 17 . A ATOM 3737 H HG22 . ILE A 1 17 ? 1.983 -7.219 -2.876 1.0 1.42 ? 17 ILE A HG22 9 17 . A ATOM 3738 H HG23 . ILE A 1 17 ? 3.228 -6.797 -4.051 1.0 1.01 ? 17 ILE A HG23 9 17 . A ATOM 3739 H HD11 . ILE A 1 17 ? -0.057 -6.499 -1.940 1.0 1.2 ? 17 ILE A HD11 9 17 . A ATOM 3740 H HD12 . ILE A 1 17 ? -1.202 -5.157 -1.906 1.0 1.2 ? 17 ILE A HD12 9 17 . A ATOM 3741 H HD13 . ILE A 1 17 ? 0.370 -4.996 -1.122 1.0 1.23 ? 17 ILE A HD13 9 17 . A ATOM 3742 N N . SER A 1 18 ? 4.610 -3.336 -3.379 1.0 0.53 ? 18 SER A N 9 18 . A ATOM 3743 C CA . SER A 1 18 ? 5.957 -3.027 -3.876 1.0 0.6 ? 18 SER A CA 9 18 . A ATOM 3744 C C . SER A 1 18 ? 6.917 -2.716 -2.722 1.0 0.59 ? 18 SER A C 9 18 . A ATOM 3745 O O . SER A 1 18 ? 8.125 -2.940 -2.837 1.0 0.88 ? 18 SER A O 9 18 . A ATOM 3746 C CB . SER A 1 18 ? 5.907 -1.845 -4.846 1.0 0.73 ? 18 SER A CB 9 18 . A ATOM 3747 O OG . SER A 1 18 ? 5.199 -2.182 -6.027 1.0 0.8 ? 18 SER A OG 9 18 . A ATOM 3748 H H . SER A 1 18 ? 3.904 -2.664 -3.485 1.0 0.57 ? 18 SER A H 9 18 . A ATOM 3749 H HA . SER A 1 18 ? 6.320 -3.897 -4.403 1.0 0.63 ? 18 SER A HA 9 18 . A ATOM 3750 H HB2 . SER A 1 18 ? 5.410 -1.012 -4.370 1.0 0.74 ? 18 SER A HB2 9 18 . A ATOM 3751 H HB3 . SER A 1 18 ? 6.913 -1.558 -5.113 1.0 0.81 ? 18 SER A HB3 9 18 . A ATOM 3752 H HG . SER A 1 18 ? 5.303 -3.119 -6.206 1.0 1.1 ? 18 SER A HG 9 18 . A ATOM 3753 N N . TRP A 1 19 ? 6.359 -2.207 -1.607 1.0 0.49 ? 19 TRP A N 9 19 . A ATOM 3754 C CA . TRP A 1 19 ? 7.144 -1.879 -0.409 1.0 0.54 ? 19 TRP A CA 9 19 . A ATOM 3755 C C . TRP A 1 19 ? 7.542 -3.147 0.358 1.0 0.5 ? 19 TRP A C 9 19 . A ATOM 3756 O O . TRP A 1 19 ? 8.662 -3.241 0.872 1.0 0.59 ? 19 TRP A O 9 19 . A ATOM 3757 C CB . TRP A 1 19 ? 6.357 -0.936 0.505 1.0 0.68 ? 19 TRP A CB 9 19 . A ATOM 3758 C CG . TRP A 1 19 ? 6.782 0.499 0.385 1.0 0.62 ? 19 TRP A CG 9 19 . A ATOM 3759 C CD1 . TRP A 1 19 ? 6.350 1.411 -0.536 1.0 0.96 ? 19 TRP A CD1 9 19 . A ATOM 3760 C CD2 . TRP A 1 19 ? 7.724 1.194 1.207 1.0 0.63 ? 19 TRP A CD2 9 19 . A ATOM 3761 N NE1 . TRP A 1 19 ? 6.970 2.627 -0.333 1.0 1.09 ? 19 TRP A NE1 9 19 . A ATOM 3762 C CE2 . TRP A 1 19 ? 7.822 2.532 0.739 1.0 0.9 ? 19 TRP A CE2 9 19 . A ATOM 3763 C CE3 . TRP A 1 19 ? 8.526 0.844 2.319 1.0 0.84 ? 19 TRP A CE3 9 19 . A ATOM 3764 C CZ2 . TRP A 1 19 ? 8.655 3.517 1.307 1.0 1.16 ? 19 TRP A CZ2 9 19 . A ATOM 3765 C CZ3 . TRP A 1 19 ? 9.361 1.794 2.892 1.0 1.15 ? 19 TRP A CZ3 9 19 . A ATOM 3766 C CH2 . TRP A 1 19 ? 9.433 3.133 2.398 1.0 1.24 ? 19 TRP A CH2 9 19 . A ATOM 3767 H H . TRP A 1 19 ? 5.392 -2.050 -1.594 1.0 0.6 ? 19 TRP A H 9 19 . A ATOM 3768 H HA . TRP A 1 19 ? 8.044 -1.377 -0.734 1.0 0.59 ? 19 TRP A HA 9 19 . A ATOM 3769 H HB2 . TRP A 1 19 ? 5.308 -0.996 0.256 1.0 0.97 ? 19 TRP A HB2 9 19 . A ATOM 3770 H HB3 . TRP A 1 19 ? 6.497 -1.242 1.532 1.0 0.79 ? 19 TRP A HB3 9 19 . A ATOM 3771 H HD1 . TRP A 1 19 ? 5.628 1.196 -1.310 1.0 1.22 ? 19 TRP A HD1 9 19 . A ATOM 3772 H HE1 . TRP A 1 19 ? 6.823 3.437 -0.866 1.0 1.4 ? 19 TRP A HE1 9 19 . A ATOM 3773 H HE3 . TRP A 1 19 ? 8.503 -0.163 2.709 1.0 0.96 ? 19 TRP A HE3 9 19 . A ATOM 3774 H HZ2 . TRP A 1 19 ? 8.700 4.519 0.906 1.0 1.42 ? 19 TRP A HZ2 9 19 . A ATOM 3775 H HZ3 . TRP A 1 19 ? 9.964 1.517 3.742 1.0 1.44 ? 19 TRP A HZ3 9 19 . A ATOM 3776 H HH2 . TRP A 1 19 ? 10.087 3.848 2.874 1.0 1.52 ? 19 TRP A HH2 9 19 . A ATOM 3777 N N . ILE A 1 20 ? 6.616 -4.123 0.414 1.0 0.52 ? 20 ILE A N 9 20 . A ATOM 3778 C CA . ILE A 1 20 ? 6.865 -5.407 1.096 1.0 0.56 ? 20 ILE A CA 9 20 . A ATOM 3779 C C . ILE A 1 20 ? 7.761 -6.322 0.244 1.0 0.59 ? 20 ILE A C 9 20 . A ATOM 3780 O O . ILE A 1 20 ? 8.537 -7.117 0.782 1.0 0.75 ? 20 ILE A O 9 20 . A ATOM 3781 C CB . ILE A 1 20 ? 5.551 -6.158 1.480 1.0 0.71 ? 20 ILE A CB 9 20 . A ATOM 3782 C CG1 . ILE A 1 20 ? 4.585 -6.292 0.288 1.0 0.93 ? 20 ILE A CG1 9 20 . A ATOM 3783 C CG2 . ILE A 1 20 ? 4.859 -5.459 2.642 1.0 1.12 ? 20 ILE A CG2 9 20 . A ATOM 3784 C CD1 . ILE A 1 20 ? 4.679 -7.627 -0.419 1.0 1.33 ? 20 ILE A CD1 9 20 . A ATOM 3785 H H . ILE A 1 20 ? 5.746 -3.975 -0.014 1.0 0.58 ? 20 ILE A H 9 20 . A ATOM 3786 H HA . ILE A 1 20 ? 7.395 -5.181 2.012 1.0 0.57 ? 20 ILE A HA 9 20 . A ATOM 3787 H HB . ILE A 1 20 ? 5.826 -7.148 1.815 1.0 1.0 ? 20 ILE A HB 9 20 . A ATOM 3788 H HG12 . ILE A 1 20 ? 3.571 -6.173 0.637 1.0 1.04 ? 20 ILE A HG12 9 20 . A ATOM 3789 H HG13 . ILE A 1 20 ? 4.807 -5.519 -0.432 1.0 1.17 ? 20 ILE A HG13 9 20 . A ATOM 3790 H HG21 . ILE A 1 20 ? 5.515 -5.453 3.500 1.0 1.42 ? 20 ILE A HG21 9 20 . A ATOM 3791 H HG22 . ILE A 1 20 ? 3.948 -5.985 2.888 1.0 1.21 ? 20 ILE A HG22 9 20 . A ATOM 3792 H HG23 . ILE A 1 20 ? 4.623 -4.443 2.362 1.0 1.32 ? 20 ILE A HG23 9 20 . A ATOM 3793 H HD11 . ILE A 1 20 ? 4.112 -7.589 -1.338 1.0 1.7 ? 20 ILE A HD11 9 20 . A ATOM 3794 H HD12 . ILE A 1 20 ? 4.278 -8.401 0.219 1.0 1.35 ? 20 ILE A HD12 9 20 . A ATOM 3795 H HD13 . ILE A 1 20 ? 5.713 -7.844 -0.641 1.0 1.51 ? 20 ILE A HD13 9 20 . A ATOM 3796 N N . LYS A 1 21 ? 7.641 -6.187 -1.091 1.0 0.54 ? 21 LYS A N 9 21 . A ATOM 3797 C CA . LYS A 1 21 ? 8.444 -6.969 -2.043 1.0 0.66 ? 21 LYS A CA 9 21 . A ATOM 3798 C C . LYS A 1 21 ? 9.880 -6.437 -2.122 1.0 0.6 ? 21 LYS A C 9 21 . A ATOM 3799 O O . LYS A 1 21 ? 10.823 -7.208 -2.321 1.0 0.7 ? 21 LYS A O 9 21 . A ATOM 3800 C CB . LYS A 1 21 ? 7.804 -6.948 -3.434 1.0 0.79 ? 21 LYS A CB 9 21 . A ATOM 3801 C CG . LYS A 1 21 ? 6.632 -7.906 -3.583 1.0 1.01 ? 21 LYS A CG 9 21 . A ATOM 3802 C CD . LYS A 1 21 ? 6.126 -7.948 -5.016 1.0 1.03 ? 21 LYS A CD 9 21 . A ATOM 3803 C CE . LYS A 1 21 ? 5.052 -9.010 -5.194 1.0 1.13 ? 21 LYS A CE 9 21 . A ATOM 3804 N NZ . LYS A 1 21 ? 4.518 -9.033 -6.584 1.0 1.58 1 21 LYS A NZ 9 21 . A ATOM 3805 H H . LYS A 1 21 ? 6.993 -5.541 -1.442 1.0 0.52 ? 21 LYS A H 9 21 . A ATOM 3806 H HA . LYS A 1 21 ? 8.473 -7.989 -1.687 1.0 0.75 ? 21 LYS A HA 9 21 . A ATOM 3807 H HB2 . LYS A 1 21 ? 7.451 -5.948 -3.639 1.0 1.0 ? 21 LYS A HB2 9 21 . A ATOM 3808 H HB3 . LYS A 1 21 ? 8.552 -7.213 -4.166 1.0 0.9 ? 21 LYS A HB3 9 21 . A ATOM 3809 H HG2 . LYS A 1 21 ? 6.950 -8.896 -3.295 1.0 1.29 ? 21 LYS A HG2 9 21 . A ATOM 3810 H HG3 . LYS A 1 21 ? 5.830 -7.580 -2.938 1.0 1.39 ? 21 LYS A HG3 9 21 . A ATOM 3811 H HD2 . LYS A 1 21 ? 5.712 -6.984 -5.271 1.0 1.28 ? 21 LYS A HD2 9 21 . A ATOM 3812 H HD3 . LYS A 1 21 ? 6.954 -8.172 -5.673 1.0 1.06 ? 21 LYS A HD3 9 21 . A ATOM 3813 H HE2 . LYS A 1 21 ? 5.478 -9.975 -4.966 1.0 1.11 ? 21 LYS A HE2 9 21 . A ATOM 3814 H HE3 . LYS A 1 21 ? 4.243 -8.804 -4.510 1.0 1.19 ? 21 LYS A HE3 9 21 . A ATOM 3815 H HZ1 . LYS A 1 21 ? 3.808 -9.787 -6.681 1.0 1.84 ? 21 LYS A HZ1 9 21 . A ATOM 3816 H HZ2 . LYS A 1 21 ? 5.288 -9.210 -7.260 1.0 1.52 ? 21 LYS A HZ2 9 21 . A ATOM 3817 H HZ3 . LYS A 1 21 ? 4.074 -8.121 -6.812 1.0 2.1 ? 21 LYS A HZ3 9 21 . A ATOM 3818 N N . ARG A 1 22 ? 10.028 -5.110 -1.958 1.0 0.56 ? 22 ARG A N 9 22 . A ATOM 3819 C CA . ARG A 1 22 ? 11.342 -4.451 -1.982 1.0 0.56 ? 22 ARG A CA 9 22 . A ATOM 3820 C C . ARG A 1 22 ? 12.055 -4.594 -0.633 1.0 0.52 ? 22 ARG A C 9 22 . A ATOM 3821 O O . ARG A 1 22 ? 13.287 -4.562 -0.570 1.0 0.66 ? 22 ARG A O 9 22 . A ATOM 3822 C CB . ARG A 1 22 ? 11.195 -2.968 -2.337 1.0 0.63 ? 22 ARG A CB 9 22 . A ATOM 3823 C CG . ARG A 1 22 ? 11.017 -2.710 -3.825 1.0 0.92 ? 22 ARG A CG 9 22 . A ATOM 3824 C CD . ARG A 1 22 ? 10.923 -1.222 -4.124 1.0 1.04 ? 22 ARG A CD 9 22 . A ATOM 3825 N NE . ARG A 1 22 ? 10.856 -0.952 -5.565 1.0 1.25 ? 22 ARG A NE 9 22 . A ATOM 3826 C CZ . ARG A 1 22 ? 10.930 0.268 -6.118 1.0 1.56 ? 22 ARG A CZ 9 22 . A ATOM 3827 N NH1 . ARG A 1 22 ? 11.076 1.358 -5.367 1.0 1.61 1 22 ARG A NH1 9 22 . A ATOM 3828 N NH2 . ARG A 1 22 ? 10.861 0.394 -7.436 1.0 2.06 ? 22 ARG A NH2 9 22 . A ATOM 3829 H H . ARG A 1 22 ? 9.229 -4.561 -1.818 1.0 0.61 ? 22 ARG A H 9 22 . A ATOM 3830 H HA . ARG A 1 22 ? 11.938 -4.935 -2.742 1.0 0.67 ? 22 ARG A HA 9 22 . A ATOM 3831 H HB2 . ARG A 1 22 ? 10.335 -2.570 -1.819 1.0 0.98 ? 22 ARG A HB2 9 22 . A ATOM 3832 H HB3 . ARG A 1 22 ? 12.079 -2.442 -2.006 1.0 0.82 ? 22 ARG A HB3 9 22 . A ATOM 3833 H HG2 . ARG A 1 22 ? 11.863 -3.120 -4.357 1.0 1.19 ? 22 ARG A HG2 9 22 . A ATOM 3834 H HG3 . ARG A 1 22 ? 10.111 -3.193 -4.159 1.0 1.48 ? 22 ARG A HG3 9 22 . A ATOM 3835 H HD2 . ARG A 1 22 ? 10.034 -0.829 -3.653 1.0 1.28 ? 22 ARG A HD2 9 22 . A ATOM 3836 H HD3 . ARG A 1 22 ? 11.793 -0.730 -3.716 1.0 1.34 ? 22 ARG A HD3 9 22 . A ATOM 3837 H HE . ARG A 1 22 ? 10.748 -1.724 -6.159 1.0 1.43 ? 22 ARG A HE 9 22 . A ATOM 3838 H HH11 . ARG A 1 22 ? 11.131 1.275 -4.371 1.0 1.53 ? 22 ARG A HH11 9 22 . A ATOM 3839 H HH12 . ARG A 1 22 ? 11.130 2.258 -5.797 1.0 1.91 ? 22 ARG A HH12 9 22 . A ATOM 3840 H HH21 . ARG A 1 22 ? 10.754 -0.417 -8.011 1.0 2.25 ? 22 ARG A HH21 9 22 . A ATOM 3841 H HH22 . ARG A 1 22 ? 10.916 1.300 -7.855 1.0 2.34 ? 22 ARG A HH22 9 22 . A ATOM 3842 N N . LYS A 1 23 ? 11.262 -4.753 0.440 1.0 0.54 ? 23 LYS A N 9 23 . A ATOM 3843 C CA . LYS A 1 23 ? 11.793 -4.921 1.798 1.0 0.58 ? 23 LYS A CA 9 23 . A ATOM 3844 C C . LYS A 1 23 ? 12.124 -6.389 2.092 1.0 0.55 ? 23 LYS A C 9 23 . A ATOM 3845 O O . LYS A 1 23 ? 12.922 -6.682 2.987 1.0 0.59 ? 23 LYS A O 9 23 . A ATOM 3846 C CB . LYS A 1 23 ? 10.789 -4.402 2.829 1.0 0.76 ? 23 LYS A CB 9 23 . A ATOM 3847 C CG . LYS A 1 23 ? 11.097 -3.000 3.329 1.0 0.87 ? 23 LYS A CG 9 23 . A ATOM 3848 C CD . LYS A 1 23 ? 10.098 -2.555 4.386 1.0 0.92 ? 23 LYS A CD 9 23 . A ATOM 3849 C CE . LYS A 1 23 ? 10.526 -1.258 5.059 1.0 1.04 ? 23 LYS A CE 9 23 . A ATOM 3850 N NZ . LYS A 1 23 ? 11.668 -1.460 5.997 1.0 1.28 1 23 LYS A NZ 9 23 . A ATOM 3851 H H . LYS A 1 23 ? 10.291 -4.758 0.310 1.0 0.65 ? 23 LYS A H 9 23 . A ATOM 3852 H HA . LYS A 1 23 ? 12.701 -4.341 1.871 1.0 0.61 ? 23 LYS A HA 9 23 . A ATOM 3853 H HB2 . LYS A 1 23 ? 9.805 -4.393 2.383 1.0 0.93 ? 23 LYS A HB2 9 23 . A ATOM 3854 H HB3 . LYS A 1 23 ? 10.784 -5.070 3.677 1.0 0.93 ? 23 LYS A HB3 9 23 . A ATOM 3855 H HG2 . LYS A 1 23 ? 12.088 -2.991 3.758 1.0 1.19 ? 23 LYS A HG2 9 23 . A ATOM 3856 H HG3 . LYS A 1 23 ? 11.057 -2.315 2.495 1.0 1.25 ? 23 LYS A HG3 9 23 . A ATOM 3857 H HD2 . LYS A 1 23 ? 9.138 -2.402 3.917 1.0 1.26 ? 23 LYS A HD2 9 23 . A ATOM 3858 H HD3 . LYS A 1 23 ? 10.014 -3.328 5.136 1.0 1.17 ? 23 LYS A HD3 9 23 . A ATOM 3859 H HE2 . LYS A 1 23 ? 10.821 -0.554 4.297 1.0 1.4 ? 23 LYS A HE2 9 23 . A ATOM 3860 H HE3 . LYS A 1 23 ? 9.686 -0.859 5.610 1.0 1.42 ? 23 LYS A HE3 9 23 . A ATOM 3861 H HZ1 . LYS A 1 23 ? 11.402 -2.133 6.744 1.0 1.46 ? 23 LYS A HZ1 9 23 . A ATOM 3862 H HZ2 . LYS A 1 23 ? 11.933 -0.557 6.438 1.0 1.73 ? 23 LYS A HZ2 9 23 . A ATOM 3863 H HZ3 . LYS A 1 23 ? 12.491 -1.836 5.482 1.0 1.85 ? 23 LYS A HZ3 9 23 . A ATOM 3864 N N . ARG A 1 24 ? 11.500 -7.299 1.331 1.0 0.6 ? 24 ARG A N 9 24 . A ATOM 3865 C CA . ARG A 1 24 ? 11.717 -8.741 1.489 1.0 0.7 ? 24 ARG A CA 9 24 . A ATOM 3866 C C . ARG A 1 24 ? 12.807 -9.246 0.535 1.0 0.66 ? 24 ARG A C 9 24 . A ATOM 3867 O O . ARG A 1 24 ? 13.545 -10.177 0.871 1.0 0.76 ? 24 ARG A O 9 24 . A ATOM 3868 C CB . ARG A 1 24 ? 10.408 -9.497 1.236 1.0 0.89 ? 24 ARG A CB 9 24 . A ATOM 3869 C CG . ARG A 1 24 ? 10.223 -10.723 2.119 1.0 1.36 ? 24 ARG A CG 9 24 . A ATOM 3870 C CD . ARG A 1 24 ? 8.907 -11.424 1.822 1.0 1.41 ? 24 ARG A CD 9 24 . A ATOM 3871 N NE . ARG A 1 24 ? 8.674 -12.563 2.716 1.0 1.42 ? 24 ARG A NE 9 24 . A ATOM 3872 C CZ . ARG A 1 24 ? 7.648 -13.420 2.608 1.0 1.54 ? 24 ARG A CZ 9 24 . A ATOM 3873 N NH1 . ARG A 1 24 ? 6.739 -13.289 1.643 1.0 1.76 1 24 ARG A NH1 9 24 . A ATOM 3874 N NH2 . ARG A 1 24 ? 7.532 -14.416 3.476 1.0 1.78 ? 24 ARG A NH2 9 24 . A ATOM 3875 H H . ARG A 1 24 ? 10.876 -6.989 0.642 1.0 0.65 ? 24 ARG A H 9 24 . A ATOM 3876 H HA . ARG A 1 24 ? 12.034 -8.918 2.505 1.0 0.76 ? 24 ARG A HA 9 24 . A ATOM 3877 H HB2 . ARG A 1 24 ? 9.581 -8.826 1.413 1.0 0.92 ? 24 ARG A HB2 9 24 . A ATOM 3878 H HB3 . ARG A 1 24 ? 10.386 -9.816 0.205 1.0 1.17 ? 24 ARG A HB3 9 24 . A ATOM 3879 H HG2 . ARG A 1 24 ? 11.035 -11.411 1.939 1.0 1.78 ? 24 ARG A HG2 9 24 . A ATOM 3880 H HG3 . ARG A 1 24 ? 10.231 -10.414 3.154 1.0 1.59 ? 24 ARG A HG3 9 24 . A ATOM 3881 H HD2 . ARG A 1 24 ? 8.101 -10.714 1.942 1.0 1.52 ? 24 ARG A HD2 9 24 . A ATOM 3882 H HD3 . ARG A 1 24 ? 8.925 -11.777 0.802 1.0 1.59 ? 24 ARG A HD3 9 24 . A ATOM 3883 H HE . ARG A 1 24 ? 9.319 -12.700 3.441 1.0 1.58 ? 24 ARG A HE 9 24 . A ATOM 3884 H HH11 . ARG A 1 24 ? 6.815 -12.541 0.983 1.0 1.84 ? 24 ARG A HH11 9 24 . A ATOM 3885 H HH12 . ARG A 1 24 ? 5.981 -13.938 1.578 1.0 2.01 ? 24 ARG A HH12 9 24 . A ATOM 3886 H HH21 . ARG A 1 24 ? 8.207 -14.524 4.207 1.0 1.94 ? 24 ARG A HH21 9 24 . A ATOM 3887 H HH22 . ARG A 1 24 ? 6.770 -15.059 3.401 1.0 1.96 ? 24 ARG A HH22 9 24 . A ATOM 3888 N N . GLN A 1 25 ? 12.898 -8.623 -0.651 1.0 0.59 ? 25 GLN A N 9 25 . A ATOM 3889 C CA . GLN A 1 25 ? 13.893 -9.001 -1.662 1.0 0.62 ? 25 GLN A CA 9 25 . A ATOM 3890 C C . GLN A 1 25 ? 15.195 -8.209 -1.493 1.0 0.58 ? 25 GLN A C 9 25 . A ATOM 3891 O O . GLN A 1 25 ? 16.286 -8.780 -1.580 1.0 0.68 ? 25 GLN A O 9 25 . A ATOM 3892 C CB . GLN A 1 25 ? 13.335 -8.790 -3.075 1.0 0.7 ? 25 GLN A CB 9 25 . A ATOM 3893 C CG . GLN A 1 25 ? 12.299 -9.829 -3.493 1.0 1.11 ? 25 GLN A CG 9 25 . A ATOM 3894 C CD . GLN A 1 25 ? 11.791 -9.639 -4.916 1.0 1.18 ? 25 GLN A CD 9 25 . A ATOM 3895 O OE1 . GLN A 1 25 ? 12.517 -9.181 -5.803 1.0 1.5 ? 25 GLN A OE1 9 25 . A ATOM 3896 N NE2 . GLN A 1 25 ? 10.532 -9.995 -5.142 1.0 1.28 ? 25 GLN A NE2 9 25 . A ATOM 3897 H H . GLN A 1 25 ? 12.278 -7.890 -0.849 1.0 0.59 ? 25 GLN A H 9 25 . A ATOM 3898 H HA . GLN A 1 25 ? 14.111 -10.050 -1.529 1.0 0.73 ? 25 GLN A HA 9 25 . A ATOM 3899 H HB2 . GLN A 1 25 ? 12.872 -7.815 -3.124 1.0 0.73 ? 25 GLN A HB2 9 25 . A ATOM 3900 H HB3 . GLN A 1 25 ? 14.151 -8.826 -3.781 1.0 1.04 ? 25 GLN A HB3 9 25 . A ATOM 3901 H HG2 . GLN A 1 25 ? 12.743 -10.809 -3.418 1.0 1.51 ? 25 GLN A HG2 9 25 . A ATOM 3902 H HG3 . GLN A 1 25 ? 11.458 -9.767 -2.817 1.0 1.3 ? 25 GLN A HG3 9 25 . A ATOM 3903 H HE21 . GLN A 1 25 ? 10.011 -10.353 -4.394 1.0 1.53 ? 25 GLN A HE21 9 25 . A ATOM 3904 H HE22 . GLN A 1 25 ? 10.175 -9.884 -6.048 1.0 1.31 ? 25 GLN A HE22 9 25 . A ATOM 3905 N N . GLN A 1 26 ? 15.068 -6.897 -1.251 1.0 0.55 ? 26 GLN A N 9 26 . A ATOM 3906 C CA . GLN A 1 26 ? 16.228 -6.022 -1.066 1.0 0.64 ? 26 GLN A CA 9 26 . A ATOM 3907 C C . GLN A 1 26 ? 16.454 -5.711 0.416 1.0 0.76 ? 26 GLN A C 9 26 . A ATOM 3908 O O . GLN A 1 26 ? 17.562 -5.857 0.933 1.0 0.87 ? 26 GLN A O 9 26 . A ATOM 3909 C CB . GLN A 1 26 ? 16.060 -4.721 -1.865 1.0 0.78 ? 26 GLN A CB 9 26 . A ATOM 3910 C CG . GLN A 1 26 ? 16.244 -4.893 -3.366 1.0 0.82 ? 26 GLN A CG 9 26 . A ATOM 3911 C CD . GLN A 1 26 ? 16.068 -3.594 -4.126 1.0 1.06 ? 26 GLN A CD 9 26 . A ATOM 3912 O OE1 . GLN A 1 26 ? 14.962 -3.249 -4.542 1.0 1.31 ? 26 GLN A OE1 9 26 . A ATOM 3913 N NE2 . GLN A 1 26 ? 17.162 -2.864 -4.311 1.0 1.13 ? 26 GLN A NE2 9 26 . A ATOM 3914 H H . GLN A 1 26 ? 14.169 -6.510 -1.198 1.0 0.55 ? 26 GLN A H 9 26 . A ATOM 3915 H HA . GLN A 1 26 ? 17.095 -6.547 -1.439 1.0 0.63 ? 26 GLN A HA 9 26 . A ATOM 3916 H HB2 . GLN A 1 26 ? 15.068 -4.331 -1.690 1.0 0.84 ? 26 GLN A HB2 9 26 . A ATOM 3917 H HB3 . GLN A 1 26 ? 16.786 -4.002 -1.516 1.0 0.89 ? 26 GLN A HB3 9 26 . A ATOM 3918 H HG2 . GLN A 1 26 ? 17.239 -5.270 -3.553 1.0 0.8 ? 26 GLN A HG2 9 26 . A ATOM 3919 H HG3 . GLN A 1 26 ? 15.516 -5.606 -3.725 1.0 0.78 ? 26 GLN A HG3 9 26 . A ATOM 3920 H HE21 . GLN A 1 26 ? 18.009 -3.201 -3.952 1.0 1.11 ? 26 GLN A HE21 9 26 . A ATOM 3921 H HE22 . GLN A 1 26 ? 17.078 -2.019 -4.799 1.0 1.29 ? 26 GLN A HE22 9 26 . A HETATM 3922 N N . NH2 A 1 27 ? 15.391 -5.279 1.093 1.0 0.84 ? 27 NH2 A N 9 27 . A HETATM 3923 H HN1 . NH2 A 1 27 ? 14.542 -5.188 0.612 1.0 0.81 ? 27 NH2 A HN1 9 27 . A HETATM 3924 H HN2 . NH2 A 1 27 ? 15.501 -5.068 2.043 1.0 0.97 ? 27 NH2 A HN2 9 27 . A ATOM 3925 N N . GLY A 1 1 ? -13.513 9.877 8.754 1.0 2.35 ? 1 GLY A N 10 1 . A ATOM 3926 C CA . GLY A 1 1 ? -14.521 8.793 8.909 1.0 1.58 ? 1 GLY A CA 10 1 . A ATOM 3927 C C . GLY A 1 1 ? -14.407 7.736 7.827 1.0 1.16 ? 1 GLY A C 10 1 . A ATOM 3928 O O . GLY A 1 1 ? -13.309 7.476 7.322 1.0 1.12 ? 1 GLY A O 10 1 . A ATOM 3929 H H1 . GLY A 1 1 ? -12.552 9.482 8.809 1.0 2.47 ? 1 GLY A H1 10 1 . A ATOM 3930 H H2 . GLY A 1 1 ? -13.629 10.584 9.507 1.0 2.69 ? 1 GLY A H2 10 1 . A ATOM 3931 H H3 . GLY A 1 1 ? -13.631 10.346 7.833 1.0 2.71 ? 1 GLY A H3 10 1 . A ATOM 3932 H HA2 . GLY A 1 1 ? -14.383 8.323 9.871 1.0 1.5 ? 1 GLY A HA2 10 1 . A ATOM 3933 H HA3 . GLY A 1 1 ? -15.509 9.227 8.871 1.0 1.88 ? 1 GLY A HA3 10 1 . A ATOM 3934 N N . ILE A 1 2 ? -15.555 7.142 7.460 1.0 1.2 ? 2 ILE A N 10 2 . A ATOM 3935 C CA . ILE A 1 2 ? -15.621 6.086 6.426 1.0 1.08 ? 2 ILE A CA 10 2 . A ATOM 3936 C C . ILE A 1 2 ? -15.191 6.595 5.040 1.0 1.43 ? 2 ILE A C 10 2 . A ATOM 3937 O O . ILE A 1 2 ? -14.520 5.878 4.287 1.0 2.45 ? 2 ILE A O 10 2 . A ATOM 3938 C CB . ILE A 1 2 ? -17.036 5.435 6.331 1.0 1.15 ? 2 ILE A CB 10 2 . A ATOM 3939 C CG1 . ILE A 1 2 ? -18.172 6.480 6.320 1.0 1.4 ? 2 ILE A CG1 10 2 . A ATOM 3940 C CG2 . ILE A 1 2 ? -17.238 4.453 7.476 1.0 1.45 ? 2 ILE A CG2 10 2 . A ATOM 3941 C CD1 . ILE A 1 2 ? -18.604 6.891 4.928 1.0 1.69 ? 2 ILE A CD1 10 2 . A ATOM 3942 H H . ILE A 1 2 ? -16.387 7.421 7.897 1.0 1.54 ? 2 ILE A H 10 2 . A ATOM 3943 H HA . ILE A 1 2 ? -14.930 5.312 6.724 1.0 1.12 ? 2 ILE A HA 10 2 . A ATOM 3944 H HB . ILE A 1 2 ? -17.074 4.871 5.410 1.0 1.36 ? 2 ILE A HB 10 2 . A ATOM 3945 H HG12 . ILE A 1 2 ? -19.034 6.071 6.825 1.0 1.59 ? 2 ILE A HG12 10 2 . A ATOM 3946 H HG13 . ILE A 1 2 ? -17.842 7.367 6.842 1.0 1.58 ? 2 ILE A HG13 10 2 . A ATOM 3947 H HG21 . ILE A 1 2 ? -18.221 4.011 7.403 1.0 1.73 ? 2 ILE A HG21 10 2 . A ATOM 3948 H HG22 . ILE A 1 2 ? -17.147 4.973 8.418 1.0 1.49 ? 2 ILE A HG22 10 2 . A ATOM 3949 H HG23 . ILE A 1 2 ? -16.490 3.676 7.420 1.0 1.68 ? 2 ILE A HG23 10 2 . A ATOM 3950 H HD11 . ILE A 1 2 ? -19.389 7.629 4.997 1.0 2.05 ? 2 ILE A HD11 10 2 . A ATOM 3951 H HD12 . ILE A 1 2 ? -18.969 6.026 4.395 1.0 1.74 ? 2 ILE A HD12 10 2 . A ATOM 3952 H HD13 . ILE A 1 2 ? -17.761 7.310 4.399 1.0 1.76 ? 2 ILE A HD13 10 2 . A ATOM 3953 N N . GLY A 1 3 ? -15.568 7.845 4.729 1.0 1.01 ? 3 GLY A N 10 3 . A ATOM 3954 C CA . GLY A 1 3 ? -15.223 8.459 3.448 1.0 1.23 ? 3 GLY A CA 10 3 . A ATOM 3955 C C . GLY A 1 3 ? -13.741 8.792 3.331 1.0 0.93 ? 3 GLY A C 10 3 . A ATOM 3956 O O . GLY A 1 3 ? -13.172 8.724 2.237 1.0 1.16 ? 3 GLY A O 10 3 . A ATOM 3957 H H . GLY A 1 3 ? -16.088 8.358 5.383 1.0 1.23 ? 3 GLY A H 10 3 . A ATOM 3958 H HA2 . GLY A 1 3 ? -15.490 7.778 2.653 1.0 1.67 ? 3 GLY A HA2 10 3 . A ATOM 3959 H HA3 . GLY A 1 3 ? -15.794 9.368 3.334 1.0 1.55 ? 3 GLY A HA3 10 3 . A ATOM 3960 N N . ALA A 1 4 ? -13.118 9.133 4.472 1.0 0.96 ? 4 ALA A N 10 4 . A ATOM 3961 C CA . ALA A 1 4 ? -11.692 9.473 4.522 1.0 0.91 ? 4 ALA A CA 10 4 . A ATOM 3962 C C . ALA A 1 4 ? -10.815 8.222 4.399 1.0 0.91 ? 4 ALA A C 10 4 . A ATOM 3963 O O . ALA A 1 4 ? -9.875 8.196 3.594 1.0 1.37 ? 4 ALA A O 10 4 . A ATOM 3964 C CB . ALA A 1 4 ? -11.376 10.230 5.805 1.0 1.32 ? 4 ALA A CB 10 4 . A ATOM 3965 H H . ALA A 1 4 ? -13.636 9.157 5.303 1.0 1.33 ? 4 ALA A H 10 4 . A ATOM 3966 H HA . ALA A 1 4 ? -11.480 10.127 3.688 1.0 1.01 ? 4 ALA A HA 10 4 . A ATOM 3967 H HB1 . ALA A 1 4 ? -11.555 9.587 6.655 1.0 1.53 ? 4 ALA A HB1 10 4 . A ATOM 3968 H HB2 . ALA A 1 4 ? -12.009 11.102 5.874 1.0 1.55 ? 4 ALA A HB2 10 4 . A ATOM 3969 H HB3 . ALA A 1 4 ? -10.341 10.536 5.797 1.0 1.62 ? 4 ALA A HB3 10 4 . A ATOM 3970 N N . VAL A 1 5 ? -11.148 7.176 5.184 1.0 0.84 ? 5 VAL A N 10 5 . A ATOM 3971 C CA . VAL A 1 5 ? -10.398 5.904 5.159 1.0 0.86 ? 5 VAL A CA 10 5 . A ATOM 3972 C C . VAL A 1 5 ? -10.533 5.199 3.801 1.0 0.72 ? 5 VAL A C 10 5 . A ATOM 3973 O O . VAL A 1 5 ? -9.573 4.594 3.313 1.0 0.86 ? 5 VAL A O 10 5 . A ATOM 3974 C CB . VAL A 1 5 ? -10.813 4.928 6.302 1.0 1.06 ? 5 VAL A CB 10 5 . A ATOM 3975 C CG1 . VAL A 1 5 ? -10.229 5.387 7.630 1.0 1.28 ? 5 VAL A CG1 10 5 . A ATOM 3976 C CG2 . VAL A 1 5 ? -12.330 4.776 6.418 1.0 1.11 ? 5 VAL A CG2 10 5 . A ATOM 3977 H H . VAL A 1 5 ? -11.912 7.264 5.791 1.0 1.11 ? 5 VAL A H 10 5 . A ATOM 3978 H HA . VAL A 1 5 ? -9.355 6.151 5.303 1.0 0.96 ? 5 VAL A HA 10 5 . A ATOM 3979 H HB . VAL A 1 5 ? -10.396 3.956 6.077 1.0 1.11 ? 5 VAL A HB 10 5 . A ATOM 3980 H HG11 . VAL A 1 5 ? -10.519 4.696 8.408 1.0 1.45 ? 5 VAL A HG11 10 5 . A ATOM 3981 H HG12 . VAL A 1 5 ? -10.604 6.372 7.866 1.0 1.25 ? 5 VAL A HG12 10 5 . A ATOM 3982 H HG13 . VAL A 1 5 ? -9.152 5.419 7.558 1.0 1.33 ? 5 VAL A HG13 10 5 . A ATOM 3983 H HG21 . VAL A 1 5 ? -12.729 4.416 5.482 1.0 1.32 ? 5 VAL A HG21 10 5 . A ATOM 3984 H HG22 . VAL A 1 5 ? -12.765 5.736 6.651 1.0 1.19 ? 5 VAL A HG22 10 5 . A ATOM 3985 H HG23 . VAL A 1 5 ? -12.563 4.074 7.205 1.0 1.46 ? 5 VAL A HG23 10 5 . A ATOM 3986 N N . LEU A 1 6 ? -11.731 5.301 3.196 1.0 0.63 ? 6 LEU A N 10 6 . A ATOM 3987 C CA . LEU A 1 6 ? -12.001 4.700 1.882 1.0 0.66 ? 6 LEU A CA 10 6 . A ATOM 3988 C C . LEU A 1 6 ? -11.327 5.498 0.760 1.0 0.68 ? 6 LEU A C 10 6 . A ATOM 3989 O O . LEU A 1 6 ? -10.949 4.930 -0.267 1.0 1.05 ? 6 LEU A O 10 6 . A ATOM 3990 C CB . LEU A 1 6 ? -13.511 4.611 1.626 1.0 0.8 ? 6 LEU A CB 10 6 . A ATOM 3991 C CG . LEU A 1 6 ? -14.213 3.386 2.228 1.0 0.91 ? 6 LEU A CG 10 6 . A ATOM 3992 C CD1 . LEU A 1 6 ? -15.683 3.687 2.479 1.0 1.08 ? 6 LEU A CD1 10 6 . A ATOM 3993 C CD2 . LEU A 1 6 ? -14.075 2.175 1.311 1.0 1.13 ? 6 LEU A CD2 10 6 . A ATOM 3994 H H . LEU A 1 6 ? -12.448 5.792 3.648 1.0 0.71 ? 6 LEU A H 10 6 . A ATOM 3995 H HA . LEU A 1 6 ? -11.589 3.702 1.889 1.0 0.75 ? 6 LEU A HA 10 6 . A ATOM 3996 H HB2 . LEU A 1 6 ? -13.975 5.499 2.032 1.0 0.88 ? 6 LEU A HB2 10 6 . A ATOM 3997 H HB3 . LEU A 1 6 ? -13.672 4.599 0.559 1.0 0.89 ? 6 LEU A HB3 10 6 . A ATOM 3998 H HG . LEU A 1 6 ? -13.754 3.145 3.176 1.0 1.1 ? 6 LEU A HG 10 6 . A ATOM 3999 H HD11 . LEU A 1 6 ? -16.168 2.808 2.876 1.0 1.22 ? 6 LEU A HD11 10 6 . A ATOM 4000 H HD12 . LEU A 1 6 ? -16.155 3.971 1.550 1.0 1.49 ? 6 LEU A HD12 10 6 . A ATOM 4001 H HD13 . LEU A 1 6 ? -15.769 4.497 3.188 1.0 1.18 ? 6 LEU A HD13 10 6 . A ATOM 4002 H HD21 . LEU A 1 6 ? -14.537 2.390 0.359 1.0 1.24 ? 6 LEU A HD21 10 6 . A ATOM 4003 H HD22 . LEU A 1 6 ? -14.562 1.323 1.762 1.0 1.27 ? 6 LEU A HD22 10 6 . A ATOM 4004 H HD23 . LEU A 1 6 ? -13.029 1.953 1.161 1.0 1.31 ? 6 LEU A HD23 10 6 . A ATOM 4005 N N . LYS A 1 7 ? -11.168 6.817 0.980 1.0 0.57 ? 7 LYS A N 10 7 . A ATOM 4006 C CA . LYS A 1 7 ? -10.523 7.710 0.005 1.0 0.64 ? 7 LYS A CA 10 7 . A ATOM 4007 C C . LYS A 1 7 ? -9.008 7.481 -0.053 1.0 0.66 ? 7 LYS A C 10 7 . A ATOM 4008 O O . LYS A 1 7 ? -8.399 7.604 -1.120 1.0 0.74 ? 7 LYS A O 10 7 . A ATOM 4009 C CB . LYS A 1 7 ? -10.806 9.174 0.346 1.0 0.73 ? 7 LYS A CB 10 7 . A ATOM 4010 C CG . LYS A 1 7 ? -12.000 9.758 -0.393 1.0 1.05 ? 7 LYS A CG 10 7 . A ATOM 4011 C CD . LYS A 1 7 ? -12.120 11.256 -0.154 1.0 1.19 ? 7 LYS A CD 10 7 . A ATOM 4012 C CE . LYS A 1 7 ? -13.172 11.892 -1.053 1.0 1.59 ? 7 LYS A CE 10 7 . A ATOM 4013 N NZ . LYS A 1 7 ? -14.559 11.588 -0.599 1.0 1.52 1 7 LYS A NZ 10 7 . A ATOM 4014 H H . LYS A 1 7 ? -11.495 7.198 1.822 1.0 0.69 ? 7 LYS A H 10 7 . A ATOM 4015 H HA . LYS A 1 7 ? -10.941 7.491 -0.966 1.0 0.7 ? 7 LYS A HA 10 7 . A ATOM 4016 H HB2 . LYS A 1 7 ? -10.994 9.253 1.407 1.0 0.78 ? 7 LYS A HB2 10 7 . A ATOM 4017 H HB3 . LYS A 1 7 ? -9.934 9.763 0.100 1.0 0.92 ? 7 LYS A HB3 10 7 . A ATOM 4018 H HG2 . LYS A 1 7 ? -11.878 9.581 -1.451 1.0 1.52 ? 7 LYS A HG2 10 7 . A ATOM 4019 H HG3 . LYS A 1 7 ? -12.900 9.272 -0.045 1.0 1.25 ? 7 LYS A HG3 10 7 . A ATOM 4020 H HD2 . LYS A 1 7 ? -12.397 11.424 0.876 1.0 1.19 ? 7 LYS A HD2 10 7 . A ATOM 4021 H HD3 . LYS A 1 7 ? -11.164 11.719 -0.350 1.0 1.49 ? 7 LYS A HD3 10 7 . A ATOM 4022 H HE2 . LYS A 1 7 ? -13.030 12.962 -1.050 1.0 1.94 ? 7 LYS A HE2 10 7 . A ATOM 4023 H HE3 . LYS A 1 7 ? -13.041 11.516 -2.058 1.0 2.19 ? 7 LYS A HE3 10 7 . A ATOM 4024 H HZ1 . LYS A 1 7 ? -15.249 11.990 -1.265 1.0 2.02 ? 7 LYS A HZ1 10 7 . A ATOM 4025 H HZ2 . LYS A 1 7 ? -14.724 11.997 0.342 1.0 1.72 ? 7 LYS A HZ2 10 7 . A ATOM 4026 H HZ3 . LYS A 1 7 ? -14.700 10.559 -0.548 1.0 1.75 ? 7 LYS A HZ3 10 7 . A ATOM 4027 N N . VAL A 1 8 ? -8.412 7.149 1.102 1.0 0.65 ? 8 VAL A N 10 8 . A ATOM 4028 C CA . VAL A 1 8 ? -6.965 6.889 1.187 1.0 0.75 ? 8 VAL A CA 10 8 . A ATOM 4029 C C . VAL A 1 8 ? -6.630 5.402 0.974 1.0 0.73 ? 8 VAL A C 10 8 . A ATOM 4030 O O . VAL A 1 8 ? -5.457 5.045 0.829 1.0 1.09 ? 8 VAL A O 10 8 . A ATOM 4031 C CB . VAL A 1 8 ? -6.344 7.377 2.532 1.0 0.88 ? 8 VAL A CB 10 8 . A ATOM 4032 C CG1 . VAL A 1 8 ? -6.218 8.893 2.542 1.0 0.99 ? 8 VAL A CG1 10 8 . A ATOM 4033 C CG2 . VAL A 1 8 ? -7.139 6.905 3.754 1.0 0.86 ? 8 VAL A CG2 10 8 . A ATOM 4034 H H . VAL A 1 8 ? -8.956 7.076 1.914 1.0 0.62 ? 8 VAL A H 10 8 . A ATOM 4035 H HA . VAL A 1 8 ? -6.498 7.452 0.390 1.0 0.81 ? 8 VAL A HA 10 8 . A ATOM 4036 H HB . VAL A 1 8 ? -5.347 6.965 2.604 1.0 0.96 ? 8 VAL A HB 10 8 . A ATOM 4037 H HG11 . VAL A 1 8 ? -5.783 9.212 3.478 1.0 1.09 ? 8 VAL A HG11 10 8 . A ATOM 4038 H HG12 . VAL A 1 8 ? -7.196 9.337 2.430 1.0 0.94 ? 8 VAL A HG12 10 8 . A ATOM 4039 H HG13 . VAL A 1 8 ? -5.584 9.207 1.725 1.0 1.05 ? 8 VAL A HG13 10 8 . A ATOM 4040 H HG21 . VAL A 1 8 ? -7.207 5.827 3.744 1.0 1.28 ? 8 VAL A HG21 10 8 . A ATOM 4041 H HG22 . VAL A 1 8 ? -8.131 7.329 3.723 1.0 1.02 ? 8 VAL A HG22 10 8 . A ATOM 4042 H HG23 . VAL A 1 8 ? -6.638 7.226 4.655 1.0 1.3 ? 8 VAL A HG23 10 8 . A ATOM 4043 N N . LEU A 1 9 ? -7.666 4.549 0.955 1.0 0.61 ? 9 LEU A N 10 9 . A ATOM 4044 C CA . LEU A 1 9 ? -7.486 3.106 0.760 1.0 0.66 ? 9 LEU A CA 10 9 . A ATOM 4045 C C . LEU A 1 9 ? -7.725 2.697 -0.699 1.0 0.63 ? 9 LEU A C 10 9 . A ATOM 4046 O O . LEU A 1 9 ? -7.163 1.700 -1.162 1.0 0.8 ? 9 LEU A O 10 9 . A ATOM 4047 C CB . LEU A 1 9 ? -8.432 2.324 1.684 1.0 0.82 ? 9 LEU A CB 10 9 . A ATOM 4048 C CG . LEU A 1 9 ? -7.979 0.904 2.057 1.0 0.99 ? 9 LEU A CG 10 9 . A ATOM 4049 C CD1 . LEU A 1 9 ? -7.035 0.928 3.254 1.0 1.17 ? 9 LEU A CD1 10 9 . A ATOM 4050 C CD2 . LEU A 1 9 ? -9.184 0.021 2.346 1.0 1.19 ? 9 LEU A CD2 10 9 . A ATOM 4051 H H . LEU A 1 9 ? -8.572 4.902 1.075 1.0 0.78 ? 9 LEU A H 10 9 . A ATOM 4052 H HA . LEU A 1 9 ? -6.467 2.865 1.023 1.0 0.73 ? 9 LEU A HA 10 9 . A ATOM 4053 H HB2 . LEU A 1 9 ? -8.553 2.890 2.597 1.0 0.84 ? 9 LEU A HB2 10 9 . A ATOM 4054 H HB3 . LEU A 1 9 ? -9.393 2.253 1.198 1.0 0.9 ? 9 LEU A HB3 10 9 . A ATOM 4055 H HG . LEU A 1 9 ? -7.444 0.475 1.222 1.0 1.16 ? 9 LEU A HG 10 9 . A ATOM 4056 H HD11 . LEU A 1 9 ? -6.742 -0.082 3.502 1.0 1.48 ? 9 LEU A HD11 10 9 . A ATOM 4057 H HD12 . LEU A 1 9 ? -7.536 1.375 4.100 1.0 1.24 ? 9 LEU A HD12 10 9 . A ATOM 4058 H HD13 . LEU A 1 9 ? -6.157 1.507 3.009 1.0 1.43 ? 9 LEU A HD13 10 9 . A ATOM 4059 H HD21 . LEU A 1 9 ? -9.761 0.452 3.150 1.0 1.29 ? 9 LEU A HD21 10 9 . A ATOM 4060 H HD22 . LEU A 1 9 ? -8.848 -0.964 2.632 1.0 1.33 ? 9 LEU A HD22 10 9 . A ATOM 4061 H HD23 . LEU A 1 9 ? -9.798 -0.051 1.461 1.0 1.33 ? 9 LEU A HD23 10 9 . A ATOM 4062 N N . THR A 1 10 ? -8.558 3.469 -1.415 1.0 0.58 ? 10 THR A N 10 10 . A ATOM 4063 C CA . THR A 1 10 ? -8.879 3.182 -2.824 1.0 0.7 ? 10 THR A CA 10 10 . A ATOM 4064 C C . THR A 1 10 ? -7.842 3.770 -3.793 1.0 0.7 ? 10 THR A C 10 10 . A ATOM 4065 O O . THR A 1 10 ? -7.900 3.509 -5.000 1.0 0.88 ? 10 THR A O 10 10 . A ATOM 4066 C CB . THR A 1 10 ? -10.277 3.718 -3.210 1.0 0.82 ? 10 THR A CB 10 10 . A ATOM 4067 O OG1 . THR A 1 10 ? -10.395 5.099 -2.849 1.0 0.97 ? 10 THR A OG1 10 10 . A ATOM 4068 C CG2 . THR A 1 10 ? -11.385 2.914 -2.538 1.0 1.05 ? 10 THR A CG2 10 10 . A ATOM 4069 H H . THR A 1 10 ? -8.967 4.249 -0.985 1.0 0.61 ? 10 THR A H 10 10 . A ATOM 4070 H HA . THR A 1 10 ? -8.890 2.108 -2.943 1.0 0.8 ? 10 THR A HA 10 10 . A ATOM 4071 H HB . THR A 1 10 ? -10.392 3.627 -4.281 1.0 0.97 ? 10 THR A HB 10 10 . A ATOM 4072 H HG1 . THR A 1 10 ? -10.751 5.595 -3.591 1.0 1.15 ? 10 THR A HG1 10 10 . A ATOM 4073 H HG21 . THR A 1 10 ? -12.345 3.309 -2.832 1.0 1.35 ? 10 THR A HG21 10 10 . A ATOM 4074 H HG22 . THR A 1 10 ? -11.280 2.984 -1.465 1.0 1.45 ? 10 THR A HG22 10 10 . A ATOM 4075 H HG23 . THR A 1 10 ? -11.313 1.879 -2.840 1.0 1.46 ? 10 THR A HG23 10 10 . A ATOM 4076 N N . THR A 1 11 ? -6.896 4.552 -3.259 1.0 0.59 ? 11 THR A N 10 11 . A ATOM 4077 C CA . THR A 1 11 ? -5.852 5.182 -4.073 1.0 0.7 ? 11 THR A CA 10 11 . A ATOM 4078 C C . THR A 1 11 ? -4.510 4.461 -3.933 1.0 0.8 ? 11 THR A C 10 11 . A ATOM 4079 O O . THR A 1 11 ? -3.840 4.197 -4.935 1.0 1.51 ? 11 THR A O 10 11 . A ATOM 4080 C CB . THR A 1 11 ? -5.663 6.672 -3.708 1.0 0.65 ? 11 THR A CB 10 11 . A ATOM 4081 O OG1 . THR A 1 11 ? -5.561 6.822 -2.287 1.0 0.51 ? 11 THR A OG1 10 11 . A ATOM 4082 C CG2 . THR A 1 11 ? -6.817 7.517 -4.232 1.0 0.76 ? 11 THR A CG2 10 11 . A ATOM 4083 H H . THR A 1 11 ? -6.900 4.708 -2.291 1.0 0.51 ? 11 THR A H 10 11 . A ATOM 4084 H HA . THR A 1 11 ? -6.165 5.129 -5.106 1.0 0.88 ? 11 THR A HA 10 11 . A ATOM 4085 H HB . THR A 1 11 ? -4.748 7.022 -4.163 1.0 0.76 ? 11 THR A HB 10 11 . A ATOM 4086 H HG1 . THR A 1 11 ? -6.113 7.554 -2.002 1.0 0.97 ? 11 THR A HG1 10 11 . A ATOM 4087 H HG21 . THR A 1 11 ? -6.663 8.549 -3.954 1.0 1.28 ? 11 THR A HG21 10 11 . A ATOM 4088 H HG22 . THR A 1 11 ? -7.745 7.164 -3.806 1.0 1.01 ? 11 THR A HG22 10 11 . A ATOM 4089 H HG23 . THR A 1 11 ? -6.863 7.436 -5.308 1.0 1.16 ? 11 THR A HG23 10 11 . A ATOM 4090 N N . GLY A 1 12 ? -4.128 4.148 -2.687 1.0 0.88 ? 12 GLY A N 10 12 . A ATOM 4091 C CA . GLY A 1 12 ? -2.866 3.467 -2.429 1.0 0.94 ? 12 GLY A CA 10 12 . A ATOM 4092 C C . GLY A 1 12 ? -3.033 1.974 -2.217 1.0 0.89 ? 12 GLY A C 10 12 . A ATOM 4093 O O . GLY A 1 12 ? -3.578 1.545 -1.195 1.0 0.98 ? 12 GLY A O 10 12 . A ATOM 4094 H H . GLY A 1 12 ? -4.712 4.385 -1.936 1.0 1.39 ? 12 GLY A H 10 12 . A ATOM 4095 H HA2 . GLY A 1 12 ? -2.207 3.626 -3.269 1.0 1.07 ? 12 GLY A HA2 10 12 . A ATOM 4096 H HA3 . GLY A 1 12 ? -2.414 3.895 -1.546 1.0 0.97 ? 12 GLY A HA3 10 12 . A ATOM 4097 N N . LEU A 1 13 ? -2.561 1.185 -3.192 1.0 0.8 ? 13 LEU A N 10 13 . A ATOM 4098 C CA . LEU A 1 13 ? -2.643 -0.278 -3.128 1.0 0.75 ? 13 LEU A CA 10 13 . A ATOM 4099 C C . LEU A 1 13 ? -1.326 -0.948 -3.580 1.0 0.67 ? 13 LEU A C 10 13 . A ATOM 4100 O O . LEU A 1 13 ? -0.854 -1.857 -2.891 1.0 0.63 ? 13 LEU A O 10 13 . A ATOM 4101 C CB . LEU A 1 13 ? -3.820 -0.801 -3.974 1.0 0.84 ? 13 LEU A CB 10 13 . A ATOM 4102 C CG . LEU A 1 13 ? -4.482 -2.088 -3.459 1.0 0.93 ? 13 LEU A CG 10 13 . A ATOM 4103 C CD1 . LEU A 1 13 ? -5.557 -1.772 -2.426 1.0 1.5 ? 13 LEU A CD1 10 13 . A ATOM 4104 C CD2 . LEU A 1 13 ? -5.072 -2.882 -4.615 1.0 1.2 ? 13 LEU A CD2 10 13 . A ATOM 4105 H H . LEU A 1 13 ? -2.147 1.600 -3.976 1.0 0.8 ? 13 LEU A H 10 13 . A ATOM 4106 H HA . LEU A 1 13 ? -2.819 -0.544 -2.096 1.0 0.77 ? 13 LEU A HA 10 13 . A ATOM 4107 H HB2 . LEU A 1 13 ? -4.573 -0.029 -4.020 1.0 1.04 ? 13 LEU A HB2 10 13 . A ATOM 4108 H HB3 . LEU A 1 13 ? -3.462 -0.989 -4.974 1.0 0.87 ? 13 LEU A HB3 10 13 . A ATOM 4109 H HG . LEU A 1 13 ? -3.732 -2.702 -2.981 1.0 1.14 ? 13 LEU A HG 10 13 . A ATOM 4110 H HD11 . LEU A 1 13 ? -6.010 -2.692 -2.086 1.0 1.65 ? 13 LEU A HD11 10 13 . A ATOM 4111 H HD12 . LEU A 1 13 ? -6.312 -1.143 -2.873 1.0 1.79 ? 13 LEU A HD12 10 13 . A ATOM 4112 H HD13 . LEU A 1 13 ? -5.110 -1.259 -1.588 1.0 1.82 ? 13 LEU A HD13 10 13 . A ATOM 4113 H HD21 . LEU A 1 13 ? -5.801 -2.276 -5.133 1.0 1.54 ? 13 LEU A HD21 10 13 . A ATOM 4114 H HD22 . LEU A 1 13 ? -5.551 -3.772 -4.233 1.0 1.48 ? 13 LEU A HD22 10 13 . A ATOM 4115 H HD23 . LEU A 1 13 ? -4.285 -3.162 -5.300 1.0 1.47 ? 13 LEU A HD23 10 13 . A ATOM 4116 N N . PRO A 1 14 ? -0.694 -0.530 -4.734 1.0 0.71 ? 14 PRO A N 10 14 . A ATOM 4117 C CA . PRO A 1 14 ? 0.564 -1.143 -5.217 1.0 0.73 ? 14 PRO A CA 10 14 . A ATOM 4118 C C . PRO A 1 14 ? 1.816 -0.649 -4.478 1.0 0.75 ? 14 PRO A C 10 14 . A ATOM 4119 O O . PRO A 1 14 ? 2.899 -1.223 -4.639 1.0 0.92 ? 14 PRO A O 10 14 . A ATOM 4120 C CB . PRO A 1 14 ? 0.633 -0.722 -6.698 1.0 0.85 ? 14 PRO A CB 10 14 . A ATOM 4121 C CG . PRO A 1 14 ? -0.640 0.009 -6.986 1.0 0.91 ? 14 PRO A CG 10 14 . A ATOM 4122 C CD . PRO A 1 14 ? -1.122 0.535 -5.669 1.0 0.81 ? 14 PRO A CD 10 14 . A ATOM 4123 H HA . PRO A 1 14 ? 0.519 -2.220 -5.153 1.0 0.7 ? 14 PRO A HA 10 14 . A ATOM 4124 H HB2 . PRO A 1 14 ? 1.490 -0.077 -6.851 1.0 0.9 ? 14 PRO A HB2 10 14 . A ATOM 4125 H HB3 . PRO A 1 14 ? 0.710 -1.595 -7.327 1.0 0.93 ? 14 PRO A HB3 10 14 . A ATOM 4126 H HG2 . PRO A 1 14 ? -0.450 0.823 -7.673 1.0 1.08 ? 14 PRO A HG2 10 14 . A ATOM 4127 H HG3 . PRO A 1 14 ? -1.371 -0.669 -7.400 1.0 1.01 ? 14 PRO A HG3 10 14 . A ATOM 4128 H HD2 . PRO A 1 14 ? -0.640 1.474 -5.437 1.0 0.9 ? 14 PRO A HD2 10 14 . A ATOM 4129 H HD3 . PRO A 1 14 ? -2.194 0.646 -5.669 1.0 0.84 ? 14 PRO A HD3 10 14 . A ATOM 4130 N N . ALA A 1 15 ? 1.657 0.406 -3.662 1.0 0.67 ? 15 ALA A N 10 15 . A ATOM 4131 C CA . ALA A 1 15 ? 2.769 0.990 -2.897 1.0 0.73 ? 15 ALA A CA 10 15 . A ATOM 4132 C C . ALA A 1 15 ? 3.210 0.084 -1.741 1.0 0.73 ? 15 ALA A C 10 15 . A ATOM 4133 O O . ALA A 1 15 ? 4.410 -0.091 -1.508 1.0 0.88 ? 15 ALA A O 10 15 . A ATOM 4134 C CB . ALA A 1 15 ? 2.382 2.367 -2.373 1.0 0.8 ? 15 ALA A CB 10 15 . A ATOM 4135 H H . ALA A 1 15 ? 0.766 0.804 -3.575 1.0 0.63 ? 15 ALA A H 10 15 . A ATOM 4136 H HA . ALA A 1 15 ? 3.602 1.116 -3.573 1.0 0.77 ? 15 ALA A HA 10 15 . A ATOM 4137 H HB1 . ALA A 1 15 ? 2.072 2.991 -3.198 1.0 0.79 ? 15 ALA A HB1 10 15 . A ATOM 4138 H HB2 . ALA A 1 15 ? 3.231 2.816 -1.881 1.0 0.92 ? 15 ALA A HB2 10 15 . A ATOM 4139 H HB3 . ALA A 1 15 ? 1.568 2.269 -1.670 1.0 0.78 ? 15 ALA A HB3 10 15 . A ATOM 4140 N N . LEU A 1 16 ? 2.229 -0.502 -1.036 1.0 0.64 ? 16 LEU A N 10 16 . A ATOM 4141 C CA . LEU A 1 16 ? 2.499 -1.402 0.095 1.0 0.67 ? 16 LEU A CA 10 16 . A ATOM 4142 C C . LEU A 1 16 ? 3.058 -2.747 -0.383 1.0 0.63 ? 16 LEU A C 10 16 . A ATOM 4143 O O . LEU A 1 16 ? 3.928 -3.331 0.272 1.0 0.76 ? 16 LEU A O 10 16 . A ATOM 4144 C CB . LEU A 1 16 ? 1.221 -1.630 0.915 1.0 0.75 ? 16 LEU A CB 10 16 . A ATOM 4145 C CG . LEU A 1 16 ? 0.706 -0.410 1.690 1.0 0.96 ? 16 LEU A CG 10 16 . A ATOM 4146 C CD1 . LEU A 1 16 ? -0.222 0.434 0.825 1.0 1.2 ? 16 LEU A CD1 10 16 . A ATOM 4147 C CD2 . LEU A 1 16 ? -0.003 -0.851 2.962 1.0 1.23 ? 16 LEU A CD2 10 16 . A ATOM 4148 H H . LEU A 1 16 ? 1.297 -0.323 -1.285 1.0 0.63 ? 16 LEU A H 10 16 . A ATOM 4149 H HA . LEU A 1 16 ? 3.236 -0.926 0.723 1.0 0.72 ? 16 LEU A HA 10 16 . A ATOM 4150 H HB2 . LEU A 1 16 ? 0.442 -1.955 0.241 1.0 0.81 ? 16 LEU A HB2 10 16 . A ATOM 4151 H HB3 . LEU A 1 16 ? 1.412 -2.422 1.623 1.0 0.95 ? 16 LEU A HB3 10 16 . A ATOM 4152 H HG . LEU A 1 16 ? 1.547 0.207 1.973 1.0 1.21 ? 16 LEU A HG 10 16 . A ATOM 4153 H HD11 . LEU A 1 16 ? -0.574 1.282 1.394 1.0 1.66 ? 16 LEU A HD11 10 16 . A ATOM 4154 H HD12 . LEU A 1 16 ? -1.066 -0.164 0.512 1.0 1.38 ? 16 LEU A HD12 10 16 . A ATOM 4155 H HD13 . LEU A 1 16 ? 0.314 0.781 -0.046 1.0 1.32 ? 16 LEU A HD13 10 16 . A ATOM 4156 H HD21 . LEU A 1 16 ? -0.829 -1.499 2.708 1.0 1.24 ? 16 LEU A HD21 10 16 . A ATOM 4157 H HD22 . LEU A 1 16 ? -0.374 0.017 3.487 1.0 1.49 ? 16 LEU A HD22 10 16 . A ATOM 4158 H HD23 . LEU A 1 16 ? 0.691 -1.384 3.595 1.0 1.81 ? 16 LEU A HD23 10 16 . A ATOM 4159 N N . ILE A 1 17 ? 2.563 -3.210 -1.544 1.0 0.53 ? 17 ILE A N 10 17 . A ATOM 4160 C CA . ILE A 1 17 ? 2.999 -4.482 -2.151 1.0 0.52 ? 17 ILE A CA 10 17 . A ATOM 4161 C C . ILE A 1 17 ? 4.438 -4.358 -2.686 1.0 0.53 ? 17 ILE A C 10 17 . A ATOM 4162 O O . ILE A 1 17 ? 5.242 -5.288 -2.549 1.0 0.63 ? 17 ILE A O 10 17 . A ATOM 4163 C CB . ILE A 1 17 ? 2.046 -4.935 -3.313 1.0 0.54 ? 17 ILE A CB 10 17 . A ATOM 4164 C CG1 . ILE A 1 17 ? 0.542 -4.676 -2.993 1.0 0.6 ? 17 ILE A CG1 10 17 . A ATOM 4165 C CG2 . ILE A 1 17 ? 2.273 -6.410 -3.675 1.0 0.58 ? 17 ILE A CG2 10 17 . A ATOM 4166 C CD1 . ILE A 1 17 ? 0.012 -5.298 -1.701 1.0 0.64 ? 17 ILE A CD1 10 17 . A ATOM 4167 H H . ILE A 1 17 ? 1.883 -2.680 -2.008 1.0 0.54 ? 17 ILE A H 10 17 . A ATOM 4168 H HA . ILE A 1 17 ? 2.977 -5.239 -1.381 1.0 0.55 ? 17 ILE A HA 10 17 . A ATOM 4169 H HB . ILE A 1 17 ? 2.312 -4.353 -4.184 1.0 0.55 ? 17 ILE A HB 10 17 . A ATOM 4170 H HG12 . ILE A 1 17 ? 0.382 -3.611 -2.922 1.0 0.61 ? 17 ILE A HG12 10 17 . A ATOM 4171 H HG13 . ILE A 1 17 ? -0.054 -5.060 -3.809 1.0 0.64 ? 17 ILE A HG13 10 17 . A ATOM 4172 H HG21 . ILE A 1 17 ? 1.585 -6.700 -4.456 1.0 1.05 ? 17 ILE A HG21 10 17 . A ATOM 4173 H HG22 . ILE A 1 17 ? 2.108 -7.026 -2.803 1.0 1.42 ? 17 ILE A HG22 10 17 . A ATOM 4174 H HG23 . ILE A 1 17 ? 3.287 -6.542 -4.023 1.0 1.01 ? 17 ILE A HG23 10 17 . A ATOM 4175 H HD11 . ILE A 1 17 ? 0.129 -6.371 -1.745 1.0 1.2 ? 17 ILE A HD11 10 17 . A ATOM 4176 H HD12 . ILE A 1 17 ? -1.034 -5.055 -1.586 1.0 1.2 ? 17 ILE A HD12 10 17 . A ATOM 4177 H HD13 . ILE A 1 17 ? 0.567 -4.909 -0.861 1.0 1.23 ? 17 ILE A HD13 10 17 . A ATOM 4178 N N . SER A 1 18 ? 4.747 -3.194 -3.283 1.0 0.53 ? 18 SER A N 10 18 . A ATOM 4179 C CA . SER A 1 18 ? 6.081 -2.917 -3.835 1.0 0.6 ? 18 SER A CA 10 18 . A ATOM 4180 C C . SER A 1 18 ? 7.114 -2.687 -2.724 1.0 0.59 ? 18 SER A C 10 18 . A ATOM 4181 O O . SER A 1 18 ? 8.294 -3.019 -2.888 1.0 0.88 ? 18 SER A O 10 18 . A ATOM 4182 C CB . SER A 1 18 ? 6.029 -1.698 -4.757 1.0 0.73 ? 18 SER A CB 10 18 . A ATOM 4183 O OG . SER A 1 18 ? 5.195 -1.939 -5.877 1.0 0.8 ? 18 SER A OG 10 18 . A ATOM 4184 H H . SER A 1 18 ? 4.055 -2.503 -3.354 1.0 0.57 ? 18 SER A H 10 18 . A ATOM 4185 H HA . SER A 1 18 ? 6.381 -3.778 -4.413 1.0 0.63 ? 18 SER A HA 10 18 . A ATOM 4186 H HB2 . SER A 1 18 ? 5.639 -0.852 -4.210 1.0 0.74 ? 18 SER A HB2 10 18 . A ATOM 4187 H HB3 . SER A 1 18 ? 7.025 -1.472 -5.107 1.0 0.81 ? 18 SER A HB3 10 18 . A ATOM 4188 H HG . SER A 1 18 ? 4.949 -2.867 -5.900 1.0 1.1 ? 18 SER A HG 10 18 . A ATOM 4189 N N . TRP A 1 19 ? 6.653 -2.129 -1.591 1.0 0.49 ? 19 TRP A N 10 19 . A ATOM 4190 C CA . TRP A 1 19 ? 7.518 -1.858 -0.434 1.0 0.54 ? 19 TRP A CA 10 19 . A ATOM 4191 C C . TRP A 1 19 ? 7.862 -3.147 0.322 1.0 0.5 ? 19 TRP A C 10 19 . A ATOM 4192 O O . TRP A 1 19 ? 8.993 -3.307 0.797 1.0 0.59 ? 19 TRP A O 10 19 . A ATOM 4193 C CB . TRP A 1 19 ? 6.848 -0.856 0.510 1.0 0.68 ? 19 TRP A CB 10 19 . A ATOM 4194 C CG . TRP A 1 19 ? 7.276 0.567 0.273 1.0 0.62 ? 19 TRP A CG 10 19 . A ATOM 4195 C CD1 . TRP A 1 19 ? 6.858 1.400 -0.728 1.0 0.96 ? 19 TRP A CD1 10 19 . A ATOM 4196 C CD2 . TRP A 1 19 ? 8.207 1.330 1.047 1.0 0.63 ? 19 TRP A CD2 10 19 . A ATOM 4197 N NE1 . TRP A 1 19 ? 7.479 2.628 -0.621 1.0 1.09 ? 19 TRP A NE1 10 19 . A ATOM 4198 C CE2 . TRP A 1 19 ? 8.315 2.624 0.469 1.0 0.9 ? 19 TRP A CE2 10 19 . A ATOM 4199 C CE3 . TRP A 1 19 ? 8.992 1.075 2.197 1.0 0.84 ? 19 TRP A CE3 10 19 . A ATOM 4200 C CZ2 . TRP A 1 19 ? 9.141 3.652 0.964 1.0 1.16 ? 19 TRP A CZ2 10 19 . A ATOM 4201 C CZ3 . TRP A 1 19 ? 9.820 2.070 2.700 1.0 1.15 ? 19 TRP A CZ3 10 19 . A ATOM 4202 C CH2 . TRP A 1 19 ? 9.902 3.361 2.095 1.0 1.24 ? 19 TRP A CH2 10 19 . A ATOM 4203 H H . TRP A 1 19 ? 5.703 -1.894 -1.534 1.0 0.6 ? 19 TRP A H 10 19 . A ATOM 4204 H HA . TRP A 1 19 ? 8.434 -1.425 -0.807 1.0 0.59 ? 19 TRP A HA 10 19 . A ATOM 4205 H HB2 . TRP A 1 19 ? 5.777 -0.907 0.379 1.0 0.97 ? 19 TRP A HB2 10 19 . A ATOM 4206 H HB3 . TRP A 1 19 ? 7.094 -1.113 1.530 1.0 0.79 ? 19 TRP A HB3 10 19 . A ATOM 4207 H HD1 . TRP A 1 19 ? 6.147 1.121 -1.492 1.0 1.22 ? 19 TRP A HD1 10 19 . A ATOM 4208 H HE1 . TRP A 1 19 ? 7.342 3.389 -1.223 1.0 1.4 ? 19 TRP A HE1 10 19 . A ATOM 4209 H HE3 . TRP A 1 19 ? 8.960 0.105 2.670 1.0 0.96 ? 19 TRP A HE3 10 19 . A ATOM 4210 H HZ2 . TRP A 1 19 ? 9.195 4.616 0.480 1.0 1.42 ? 19 TRP A HZ2 10 19 . A ATOM 4211 H HZ3 . TRP A 1 19 ? 10.410 1.865 3.580 1.0 1.44 ? 19 TRP A HZ3 10 19 . A ATOM 4212 H HH2 . TRP A 1 19 ? 10.550 4.115 2.518 1.0 1.52 ? 19 TRP A HH2 10 19 . A ATOM 4213 N N . ILE A 1 20 ? 6.885 -4.068 0.415 1.0 0.52 ? 20 ILE A N 10 20 . A ATOM 4214 C CA . ILE A 1 20 ? 7.088 -5.359 1.101 1.0 0.56 ? 20 ILE A CA 10 20 . A ATOM 4215 C C . ILE A 1 20 ? 7.916 -6.326 0.239 1.0 0.59 ? 20 ILE A C 10 20 . A ATOM 4216 O O . ILE A 1 20 ? 8.694 -7.122 0.769 1.0 0.75 ? 20 ILE A O 10 20 . A ATOM 4217 C CB . ILE A 1 20 ? 5.749 -6.042 1.529 1.0 0.71 ? 20 ILE A CB 10 20 . A ATOM 4218 C CG1 . ILE A 1 20 ? 4.773 -6.214 0.350 1.0 0.93 ? 20 ILE A CG1 10 20 . A ATOM 4219 C CG2 . ILE A 1 20 ? 5.085 -5.259 2.654 1.0 1.12 ? 20 ILE A CG2 10 20 . A ATOM 4220 C CD1 . ILE A 1 20 ? 4.806 -7.597 -0.265 1.0 1.33 ? 20 ILE A CD1 10 20 . A ATOM 4221 H H . ILE A 1 20 ? 6.011 -3.875 0.014 1.0 0.58 ? 20 ILE A H 10 20 . A ATOM 4222 H HA . ILE A 1 20 ? 7.651 -5.151 2.001 1.0 0.57 ? 20 ILE A HA 10 20 . A ATOM 4223 H HB . ILE A 1 20 ? 5.995 -7.020 1.919 1.0 1.0 ? 20 ILE A HB 10 20 . A ATOM 4224 H HG12 . ILE A 1 20 ? 3.766 -6.028 0.693 1.0 1.04 ? 20 ILE A HG12 10 20 . A ATOM 4225 H HG13 . ILE A 1 20 ? 5.025 -5.501 -0.421 1.0 1.17 ? 20 ILE A HG13 10 20 . A ATOM 4226 H HG21 . ILE A 1 20 ? 5.745 -5.227 3.508 1.0 1.42 ? 20 ILE A HG21 10 20 . A ATOM 4227 H HG22 . ILE A 1 20 ? 4.160 -5.742 2.931 1.0 1.21 ? 20 ILE A HG22 10 20 . A ATOM 4228 H HG23 . ILE A 1 20 ? 4.880 -4.253 2.320 1.0 1.32 ? 20 ILE A HG23 10 20 . A ATOM 4229 H HD11 . ILE A 1 20 ? 4.182 -7.615 -1.146 1.0 1.7 ? 20 ILE A HD11 10 20 . A ATOM 4230 H HD12 . ILE A 1 20 ? 4.438 -8.317 0.451 1.0 1.35 ? 20 ILE A HD12 10 20 . A ATOM 4231 H HD13 . ILE A 1 20 ? 5.821 -7.846 -0.536 1.0 1.51 ? 20 ILE A HD13 10 20 . A ATOM 4232 N N . LYS A 1 21 ? 7.736 -6.238 -1.092 1.0 0.54 ? 21 LYS A N 10 21 . A ATOM 4233 C CA . LYS A 1 21 ? 8.470 -7.084 -2.048 1.0 0.66 ? 21 LYS A CA 10 21 . A ATOM 4234 C C . LYS A 1 21 ? 9.925 -6.624 -2.193 1.0 0.6 ? 21 LYS A C 10 21 . A ATOM 4235 O O . LYS A 1 21 ? 10.828 -7.450 -2.363 1.0 0.7 ? 21 LYS A O 10 21 . A ATOM 4236 C CB . LYS A 1 21 ? 7.784 -7.070 -3.418 1.0 0.79 ? 21 LYS A CB 10 21 . A ATOM 4237 C CG . LYS A 1 21 ? 6.546 -7.951 -3.493 1.0 1.01 ? 21 LYS A CG 10 21 . A ATOM 4238 C CD . LYS A 1 21 ? 5.982 -8.003 -4.904 1.0 1.03 ? 21 LYS A CD 10 21 . A ATOM 4239 C CE . LYS A 1 21 ? 4.833 -8.994 -5.007 1.0 1.13 ? 21 LYS A CE 10 21 . A ATOM 4240 N NZ . LYS A 1 21 ? 4.248 -9.028 -6.376 1.0 1.58 1 21 LYS A NZ 10 21 . A ATOM 4241 H H . LYS A 1 21 ? 7.092 -5.586 -1.439 1.0 0.52 ? 21 LYS A H 10 21 . A ATOM 4242 H HA . LYS A 1 21 ? 8.464 -8.093 -1.664 1.0 0.75 ? 21 LYS A HA 10 21 . A ATOM 4243 H HB2 . LYS A 1 21 ? 7.493 -6.057 -3.652 1.0 1.0 ? 21 LYS A HB2 10 21 . A ATOM 4244 H HB3 . LYS A 1 21 ? 8.488 -7.413 -4.162 1.0 0.9 ? 21 LYS A HB3 10 21 . A ATOM 4245 H HG2 . LYS A 1 21 ? 6.809 -8.951 -3.185 1.0 1.29 ? 21 LYS A HG2 10 21 . A ATOM 4246 H HG3 . LYS A 1 21 ? 5.794 -7.552 -2.829 1.0 1.39 ? 21 LYS A HG3 10 21 . A ATOM 4247 H HD2 . LYS A 1 21 ? 5.623 -7.022 -5.175 1.0 1.28 ? 21 LYS A HD2 10 21 . A ATOM 4248 H HD3 . LYS A 1 21 ? 6.767 -8.303 -5.584 1.0 1.06 ? 21 LYS A HD3 10 21 . A ATOM 4249 H HE2 . LYS A 1 21 ? 5.200 -9.978 -4.759 1.0 1.11 ? 21 LYS A HE2 10 21 . A ATOM 4250 H HE3 . LYS A 1 21 ? 4.064 -8.709 -4.303 1.0 1.19 ? 21 LYS A HE3 10 21 . A ATOM 4251 H HZ1 . LYS A 1 21 ? 3.457 -9.703 -6.410 1.0 1.84 ? 21 LYS A HZ1 10 21 . A ATOM 4252 H HZ2 . LYS A 1 21 ? 4.968 -9.322 -7.066 1.0 1.52 ? 21 LYS A HZ2 10 21 . A ATOM 4253 H HZ3 . LYS A 1 21 ? 3.897 -8.085 -6.639 1.0 2.1 ? 21 LYS A HZ3 10 21 . A ATOM 4254 N N . ARG A 1 22 ? 10.136 -5.300 -2.113 1.0 0.56 ? 22 ARG A N 10 22 . A ATOM 4255 C CA . ARG A 1 22 ? 11.477 -4.708 -2.218 1.0 0.56 ? 22 ARG A CA 10 22 . A ATOM 4256 C C . ARG A 1 22 ? 12.256 -4.843 -0.903 1.0 0.52 ? 22 ARG A C 10 22 . A ATOM 4257 O O . ARG A 1 22 ? 13.489 -4.904 -0.912 1.0 0.66 ? 22 ARG A O 10 22 . A ATOM 4258 C CB . ARG A 1 22 ? 11.382 -3.234 -2.621 1.0 0.63 ? 22 ARG A CB 10 22 . A ATOM 4259 C CG . ARG A 1 22 ? 11.117 -3.025 -4.104 1.0 0.92 ? 22 ARG A CG 10 22 . A ATOM 4260 C CD . ARG A 1 22 ? 11.126 -1.550 -4.470 1.0 1.04 ? 22 ARG A CD 10 22 . A ATOM 4261 N NE . ARG A 1 22 ? 10.905 -1.341 -5.905 1.0 1.25 ? 22 ARG A NE 10 22 . A ATOM 4262 C CZ . ARG A 1 22 ? 11.097 -0.179 -6.546 1.0 1.56 ? 22 ARG A CZ 10 22 . A ATOM 4263 N NH1 . ARG A 1 22 ? 11.518 0.906 -5.897 1.0 1.61 1 22 ARG A NH1 10 22 . A ATOM 4264 N NH2 . ARG A 1 22 ? 10.867 -0.105 -7.849 1.0 2.06 ? 22 ARG A NH2 10 22 . A ATOM 4265 H H . ARG A 1 22 ? 9.368 -4.706 -1.980 1.0 0.61 ? 22 ARG A H 10 22 . A ATOM 4266 H HA . ARG A 1 22 ? 12.010 -5.245 -2.988 1.0 0.67 ? 22 ARG A HA 10 22 . A ATOM 4267 H HB2 . ARG A 1 22 ? 10.579 -2.772 -2.066 1.0 0.98 ? 22 ARG A HB2 10 22 . A ATOM 4268 H HB3 . ARG A 1 22 ? 12.311 -2.743 -2.371 1.0 0.82 ? 22 ARG A HB3 10 22 . A ATOM 4269 H HG2 . ARG A 1 22 ? 11.883 -3.531 -4.672 1.0 1.19 ? 22 ARG A HG2 10 22 . A ATOM 4270 H HG3 . ARG A 1 22 ? 10.150 -3.442 -4.349 1.0 1.48 ? 22 ARG A HG3 10 22 . A ATOM 4271 H HD2 . ARG A 1 22 ? 10.343 -1.051 -3.919 1.0 1.28 ? 22 ARG A HD2 10 22 . A ATOM 4272 H HD3 . ARG A 1 22 ? 12.083 -1.130 -4.198 1.0 1.34 ? 22 ARG A HD3 10 22 . A ATOM 4273 H HE . ARG A 1 22 ? 10.594 -2.110 -6.426 1.0 1.43 ? 22 ARG A HE 10 22 . A ATOM 4274 H HH11 . ARG A 1 22 ? 11.696 0.863 -4.914 1.0 1.53 ? 22 ARG A HH11 10 22 . A ATOM 4275 H HH12 . ARG A 1 22 ? 11.655 1.763 -6.393 1.0 1.91 ? 22 ARG A HH12 10 22 . A ATOM 4276 H HH21 . ARG A 1 22 ? 10.552 -0.913 -8.348 1.0 2.25 ? 22 ARG A HH21 10 22 . A ATOM 4277 H HH22 . ARG A 1 22 ? 11.008 0.758 -8.334 1.0 2.34 ? 22 ARG A HH22 10 22 . A ATOM 4278 N N . LYS A 1 23 ? 11.521 -4.896 0.221 1.0 0.54 ? 23 LYS A N 10 23 . A ATOM 4279 C CA . LYS A 1 23 ? 12.129 -5.040 1.550 1.0 0.58 ? 23 LYS A CA 10 23 . A ATOM 4280 C C . LYS A 1 23 ? 12.366 -6.514 1.906 1.0 0.55 ? 23 LYS A C 10 23 . A ATOM 4281 O O . LYS A 1 23 ? 13.177 -6.818 2.785 1.0 0.59 ? 23 LYS A O 10 23 . A ATOM 4282 C CB . LYS A 1 23 ? 11.249 -4.383 2.614 1.0 0.76 ? 23 LYS A CB 10 23 . A ATOM 4283 C CG . LYS A 1 23 ? 11.459 -2.883 2.733 1.0 0.87 ? 23 LYS A CG 10 23 . A ATOM 4284 C CD . LYS A 1 23 ? 10.628 -2.290 3.861 1.0 0.92 ? 23 LYS A CD 10 23 . A ATOM 4285 C CE . LYS A 1 23 ? 11.048 -0.862 4.178 1.0 1.04 ? 23 LYS A CE 10 23 . A ATOM 4286 N NZ . LYS A 1 23 ? 12.329 -0.810 4.939 1.0 1.28 1 23 LYS A NZ 10 23 . A ATOM 4287 H H . LYS A 1 23 ? 10.546 -4.835 0.151 1.0 0.65 ? 23 LYS A H 10 23 . A ATOM 4288 H HA . LYS A 1 23 ? 13.083 -4.535 1.528 1.0 0.61 ? 23 LYS A HA 10 23 . A ATOM 4289 H HB2 . LYS A 1 23 ? 10.212 -4.562 2.369 1.0 0.93 ? 23 LYS A HB2 10 23 . A ATOM 4290 H HB3 . LYS A 1 23 ? 11.466 -4.833 3.572 1.0 0.93 ? 23 LYS A HB3 10 23 . A ATOM 4291 H HG2 . LYS A 1 23 ? 12.503 -2.690 2.930 1.0 1.19 ? 23 LYS A HG2 10 23 . A ATOM 4292 H HG3 . LYS A 1 23 ? 11.174 -2.414 1.803 1.0 1.25 ? 23 LYS A HG3 10 23 . A ATOM 4293 H HD2 . LYS A 1 23 ? 9.589 -2.291 3.568 1.0 1.26 ? 23 LYS A HD2 10 23 . A ATOM 4294 H HD3 . LYS A 1 23 ? 10.755 -2.898 4.745 1.0 1.17 ? 23 LYS A HD3 10 23 . A ATOM 4295 H HE2 . LYS A 1 23 ? 11.172 -0.324 3.250 1.0 1.4 ? 23 LYS A HE2 10 23 . A ATOM 4296 H HE3 . LYS A 1 23 ? 10.272 -0.393 4.764 1.0 1.42 ? 23 LYS A HE3 10 23 . A ATOM 4297 H HZ1 . LYS A 1 23 ? 12.227 -1.308 5.846 1.0 1.46 ? 23 LYS A HZ1 10 23 . A ATOM 4298 H HZ2 . LYS A 1 23 ? 12.594 0.178 5.127 1.0 1.73 ? 23 LYS A HZ2 10 23 . A ATOM 4299 H HZ3 . LYS A 1 23 ? 13.089 -1.261 4.391 1.0 1.85 ? 23 LYS A HZ3 10 23 . A ATOM 4300 N N . ARG A 1 24 ? 11.653 -7.417 1.217 1.0 0.6 ? 24 ARG A N 10 24 . A ATOM 4301 C CA . ARG A 1 24 ? 11.785 -8.860 1.441 1.0 0.7 ? 24 ARG A CA 10 24 . A ATOM 4302 C C . ARG A 1 24 ? 12.815 -9.471 0.482 1.0 0.66 ? 24 ARG A C 10 24 . A ATOM 4303 O O . ARG A 1 24 ? 13.493 -10.442 0.832 1.0 0.76 ? 24 ARG A O 10 24 . A ATOM 4304 C CB . ARG A 1 24 ? 10.428 -9.553 1.266 1.0 0.89 ? 24 ARG A CB 10 24 . A ATOM 4305 C CG . ARG A 1 24 ? 10.242 -10.785 2.141 1.0 1.36 ? 24 ARG A CG 10 24 . A ATOM 4306 C CD . ARG A 1 24 ? 8.900 -11.452 1.888 1.0 1.41 ? 24 ARG A CD 10 24 . A ATOM 4307 N NE . ARG A 1 24 ? 8.712 -12.642 2.726 1.0 1.42 ? 24 ARG A NE 10 24 . A ATOM 4308 C CZ . ARG A 1 24 ? 7.691 -13.504 2.612 1.0 1.54 ? 24 ARG A CZ 10 24 . A ATOM 4309 N NH1 . ARG A 1 24 ? 6.741 -13.331 1.695 1.0 1.76 1 24 ARG A NH1 10 24 . A ATOM 4310 N NH2 . ARG A 1 24 ? 7.622 -14.548 3.427 1.0 1.78 ? 24 ARG A NH2 10 24 . A ATOM 4311 H H . ARG A 1 24 ? 11.019 -7.100 0.539 1.0 0.65 ? 24 ARG A H 10 24 . A ATOM 4312 H HA . ARG A 1 24 ? 12.125 -9.007 2.456 1.0 0.76 ? 24 ARG A HA 10 24 . A ATOM 4313 H HB2 . ARG A 1 24 ? 9.645 -8.848 1.506 1.0 0.92 ? 24 ARG A HB2 10 24 . A ATOM 4314 H HB3 . ARG A 1 24 ? 10.323 -9.853 0.234 1.0 1.17 ? 24 ARG A HB3 10 24 . A ATOM 4315 H HG2 . ARG A 1 24 ? 11.030 -11.491 1.924 1.0 1.78 ? 24 ARG A HG2 10 24 . A ATOM 4316 H HG3 . ARG A 1 24 ? 10.297 -10.489 3.179 1.0 1.59 ? 24 ARG A HG3 10 24 . A ATOM 4317 H HD2 . ARG A 1 24 ? 8.114 -10.743 2.104 1.0 1.52 ? 24 ARG A HD2 10 24 . A ATOM 4318 H HD3 . ARG A 1 24 ? 8.847 -11.743 0.849 1.0 1.59 ? 24 ARG A HD3 10 24 . A ATOM 4319 H HE . ARG A 1 24 ? 9.386 -12.811 3.416 1.0 1.58 ? 24 ARG A HE 10 24 . A ATOM 4320 H HH11 . ARG A 1 24 ? 6.781 -12.547 1.074 1.0 1.84 ? 24 ARG A HH11 10 24 . A ATOM 4321 H HH12 . ARG A 1 24 ? 5.988 -13.985 1.625 1.0 2.01 ? 24 ARG A HH12 10 24 . A ATOM 4322 H HH21 . ARG A 1 24 ? 8.329 -14.688 4.121 1.0 1.94 ? 24 ARG A HH21 10 24 . A ATOM 4323 H HH22 . ARG A 1 24 ? 6.864 -15.195 3.348 1.0 1.96 ? 24 ARG A HH22 10 24 . A ATOM 4324 N N . GLN A 1 25 ? 12.921 -8.892 -0.723 1.0 0.59 ? 25 GLN A N 10 25 . A ATOM 4325 C CA . GLN A 1 25 ? 13.865 -9.365 -1.743 1.0 0.62 ? 25 GLN A CA 10 25 . A ATOM 4326 C C . GLN A 1 25 ? 15.222 -8.665 -1.615 1.0 0.58 ? 25 GLN A C 10 25 . A ATOM 4327 O O . GLN A 1 25 ? 16.268 -9.305 -1.749 1.0 0.68 ? 25 GLN A O 10 25 . A ATOM 4328 C CB . GLN A 1 25 ? 13.293 -9.146 -3.148 1.0 0.7 ? 25 GLN A CB 10 25 . A ATOM 4329 C CG . GLN A 1 25 ? 12.171 -10.113 -3.515 1.0 1.11 ? 25 GLN A CG 10 25 . A ATOM 4330 C CD . GLN A 1 25 ? 11.628 -9.904 -4.922 1.0 1.18 ? 25 GLN A CD 10 25 . A ATOM 4331 O OE1 . GLN A 1 25 ? 12.357 -9.534 -5.846 1.0 1.5 ? 25 GLN A OE1 10 25 . A ATOM 4332 N NE2 . GLN A 1 25 ? 10.332 -10.143 -5.090 1.0 1.28 ? 25 GLN A NE2 10 25 . A ATOM 4333 H H . GLN A 1 25 ? 12.346 -8.125 -0.931 1.0 0.59 ? 25 GLN A H 10 25 . A ATOM 4334 H HA . GLN A 1 25 ? 14.009 -10.424 -1.587 1.0 0.73 ? 25 GLN A HA 10 25 . A ATOM 4335 H HB2 . GLN A 1 25 ? 12.907 -8.140 -3.214 1.0 0.73 ? 25 GLN A HB2 10 25 . A ATOM 4336 H HB3 . GLN A 1 25 ? 14.089 -9.264 -3.869 1.0 1.04 ? 25 GLN A HB3 10 25 . A ATOM 4337 H HG2 . GLN A 1 25 ? 12.548 -11.121 -3.442 1.0 1.51 ? 25 GLN A HG2 10 25 . A ATOM 4338 H HG3 . GLN A 1 25 ? 11.362 -9.983 -2.811 1.0 1.3 ? 25 GLN A HG3 10 25 . A ATOM 4339 H HE21 . GLN A 1 25 ? 9.811 -10.434 -4.313 1.0 1.53 ? 25 GLN A HE21 10 25 . A ATOM 4340 H HE22 . GLN A 1 25 ? 9.951 -10.018 -5.984 1.0 1.31 ? 25 GLN A HE22 10 25 . A ATOM 4341 N N . GLN A 1 26 ? 15.190 -7.351 -1.357 1.0 0.55 ? 26 GLN A N 10 26 . A ATOM 4342 C CA . GLN A 1 26 ? 16.411 -6.555 -1.207 1.0 0.64 ? 26 GLN A CA 10 26 . A ATOM 4343 C C . GLN A 1 26 ? 16.620 -6.141 0.252 1.0 0.76 ? 26 GLN A C 10 26 . A ATOM 4344 O O . GLN A 1 26 ? 17.697 -6.335 0.817 1.0 0.87 ? 26 GLN A O 10 26 . A ATOM 4345 C CB . GLN A 1 26 ? 16.367 -5.317 -2.114 1.0 0.78 ? 26 GLN A CB 10 26 . A ATOM 4346 C CG . GLN A 1 26 ? 16.568 -5.629 -3.590 1.0 0.82 ? 26 GLN A CG 10 26 . A ATOM 4347 C CD . GLN A 1 26 ? 16.544 -4.387 -4.457 1.0 1.06 ? 26 GLN A CD 10 26 . A ATOM 4348 O OE1 . GLN A 1 26 ? 15.491 -3.975 -4.942 1.0 1.31 ? 26 GLN A OE1 10 26 . A ATOM 4349 N NE2 . GLN A 1 26 ? 17.709 -3.782 -4.657 1.0 1.13 ? 26 GLN A NE2 10 26 . A ATOM 4350 H H . GLN A 1 26 ? 14.321 -6.906 -1.268 1.0 0.55 ? 26 GLN A H 10 26 . A ATOM 4351 H HA . GLN A 1 26 ? 17.242 -7.176 -1.508 1.0 0.63 ? 26 GLN A HA 10 26 . A ATOM 4352 H HB2 . GLN A 1 26 ? 15.407 -4.835 -1.999 1.0 0.84 ? 26 GLN A HB2 10 26 . A ATOM 4353 H HB3 . GLN A 1 26 ? 17.142 -4.632 -1.805 1.0 0.89 ? 26 GLN A HB3 10 26 . A ATOM 4354 H HG2 . GLN A 1 26 ? 17.523 -6.118 -3.714 1.0 0.8 ? 26 GLN A HG2 10 26 . A ATOM 4355 H HG3 . GLN A 1 26 ? 15.780 -6.293 -3.914 1.0 0.78 ? 26 GLN A HG3 10 26 . A ATOM 4356 H HE21 . GLN A 1 26 ? 18.508 -4.166 -4.239 1.0 1.11 ? 26 GLN A HE21 10 26 . A ATOM 4357 H HE22 . GLN A 1 26 ? 17.723 -2.976 -5.214 1.0 1.29 ? 26 GLN A HE22 10 26 . A HETATM 4358 N N . NH2 A 1 27 ? 15.578 -5.571 0.855 1.0 0.84 ? 27 NH2 A N 10 27 . A HETATM 4359 H HN1 . NH2 A 1 27 ? 14.754 -5.450 0.338 1.0 0.81 ? 27 NH2 A HN1 10 27 . A HETATM 4360 H HN2 . NH2 A 1 27 ? 15.678 -5.295 1.790 1.0 0.97 ? 27 NH2 A HN2 10 27 . A HETATM 4361 RU RU . 3UQ B 2 . ? 7.967 2.989 2.658 1.0 0.85 ? 101 3UQ B RU 1 101 . A HETATM 4362 C CC1 . 3UQ B 2 . ? 7.247 2.427 4.665 1.0 1.25 ? 101 3UQ B CC1 1 101 . A HETATM 4363 C CC2 . 3UQ B 2 . ? 8.155 3.525 4.783 1.0 1.23 ? 101 3UQ B CC2 1 101 . A HETATM 4364 C CC3 . 3UQ B 2 . ? 7.601 4.638 4.070 1.0 1.1 ? 101 3UQ B CC3 1 101 . A HETATM 4365 C CC4 . 3UQ B 2 . ? 6.134 2.862 3.880 1.0 1.17 ? 101 3UQ B CC4 1 101 . A HETATM 4366 C CC5 . 3UQ B 2 . ? 6.350 4.227 3.513 1.0 1.11 ? 101 3UQ B CC5 1 101 . A HETATM 4367 H HC1 . 3UQ B 2 . ? 7.378 1.435 5.096 1.0 1.46 ? 101 3UQ B HC1 1 101 . A HETATM 4368 H HC2 . 3UQ B 2 . ? 9.105 3.516 5.318 1.0 1.46 ? 101 3UQ B HC2 1 101 . A HETATM 4369 H HC3 . 3UQ B 2 . ? 8.054 5.625 3.971 1.0 1.19 ? 101 3UQ B HC3 1 101 . A HETATM 4370 H HC4 . 3UQ B 2 . ? 5.269 2.258 3.608 1.0 1.33 ? 101 3UQ B HC4 1 101 . A HETATM 4371 H HC5 . 3UQ B 2 . ? 5.680 4.846 2.915 1.0 1.25 ? 101 3UQ B HC5 1 101 . A HETATM 4372 RU RU . 3UQ B 2 . ? 8.027 2.933 2.712 1.0 0.85 ? 101 3UQ B RU 2 101 . A HETATM 4373 C CC1 . 3UQ B 2 . ? 7.251 2.373 4.698 1.0 1.25 ? 101 3UQ B CC1 2 101 . A HETATM 4374 C CC2 . 3UQ B 2 . ? 8.174 3.456 4.843 1.0 1.23 ? 101 3UQ B CC2 2 101 . A HETATM 4375 C CC3 . 3UQ B 2 . ? 7.655 4.581 4.124 1.0 1.1 ? 101 3UQ B CC3 2 101 . A HETATM 4376 C CC4 . 3UQ B 2 . ? 6.164 2.830 3.890 1.0 1.17 ? 101 3UQ B CC4 2 101 . A HETATM 4377 C CC5 . 3UQ B 2 . ? 6.411 4.193 3.535 1.0 1.11 ? 101 3UQ B CC5 2 101 . A HETATM 4378 H HC1 . 3UQ B 2 . ? 7.356 1.376 5.127 1.0 1.46 ? 101 3UQ B HC1 2 101 . A HETATM 4379 H HC2 . 3UQ B 2 . ? 9.111 3.427 5.400 1.0 1.46 ? 101 3UQ B HC2 2 101 . A HETATM 4380 H HC3 . 3UQ B 2 . ? 8.126 5.560 4.041 1.0 1.19 ? 101 3UQ B HC3 2 101 . A HETATM 4381 H HC4 . 3UQ B 2 . ? 5.296 2.240 3.594 1.0 1.33 ? 101 3UQ B HC4 2 101 . A HETATM 4382 H HC5 . 3UQ B 2 . ? 5.765 4.824 2.925 1.0 1.25 ? 101 3UQ B HC5 2 101 . A HETATM 4383 RU RU . 3UQ B 2 . ? 7.685 3.256 2.145 1.0 0.85 ? 101 3UQ B RU 3 101 . A HETATM 4384 C CC1 . 3UQ B 2 . ? 6.519 2.872 3.976 1.0 1.25 ? 101 3UQ B CC1 3 101 . A HETATM 4385 C CC2 . 3UQ B 2 . ? 7.385 3.988 4.198 1.0 1.23 ? 101 3UQ B CC2 3 101 . A HETATM 4386 C CC3 . 3UQ B 2 . ? 7.020 5.023 3.277 1.0 1.1 ? 101 3UQ B CC3 3 101 . A HETATM 4387 C CC4 . 3UQ B 2 . ? 5.620 3.219 2.921 1.0 1.17 ? 101 3UQ B CC4 3 101 . A HETATM 4388 C CC5 . 3UQ B 2 . ? 5.927 4.547 2.488 1.0 1.11 ? 101 3UQ B CC5 3 101 . A HETATM 4389 H HC1 . 3UQ B 2 . ? 6.540 1.926 4.517 1.0 1.46 ? 101 3UQ B HC1 3 101 . A HETATM 4390 H HC2 . 3UQ B 2 . ? 8.187 4.040 4.934 1.0 1.46 ? 101 3UQ B HC2 3 101 . A HETATM 4391 H HC3 . 3UQ B 2 . ? 7.492 6.002 3.194 1.0 1.19 ? 101 3UQ B HC3 3 101 . A HETATM 4392 H HC4 . 3UQ B 2 . ? 4.836 2.580 2.514 1.0 1.33 ? 101 3UQ B HC4 3 101 . A HETATM 4393 H HC5 . 3UQ B 2 . ? 5.418 5.099 1.697 1.0 1.25 ? 101 3UQ B HC5 3 101 . A HETATM 4394 RU RU . 3UQ B 2 . ? 8.103 2.210 3.268 1.0 0.85 ? 101 3UQ B RU 4 101 . A HETATM 4395 C CC1 . 3UQ B 2 . ? 7.199 1.401 5.109 1.0 1.25 ? 101 3UQ B CC1 4 101 . A HETATM 4396 C CC2 . 3UQ B 2 . ? 8.181 2.380 5.460 1.0 1.23 ? 101 3UQ B CC2 4 101 . A HETATM 4397 C CC3 . 3UQ B 2 . ? 7.769 3.638 4.912 1.0 1.1 ? 101 3UQ B CC3 4 101 . A HETATM 4398 C CC4 . 3UQ B 2 . ? 6.183 2.055 4.345 1.0 1.17 ? 101 3UQ B CC4 4 101 . A HETATM 4399 C CC5 . 3UQ B 2 . ? 6.533 3.436 4.222 1.0 1.11 ? 101 3UQ B CC5 4 101 . A HETATM 4400 H HC1 . 3UQ B 2 . ? 7.221 0.344 5.377 1.0 1.46 ? 101 3UQ B HC1 4 101 . A HETATM 4401 H HC2 . 3UQ B 2 . ? 9.087 2.199 6.039 1.0 1.46 ? 101 3UQ B HC2 4 101 . A HETATM 4402 H HC3 . 3UQ B 2 . ? 8.305 4.583 5.003 1.0 1.19 ? 101 3UQ B HC3 4 101 . A HETATM 4403 H HC4 . 3UQ B 2 . ? 5.295 1.581 3.926 1.0 1.33 ? 101 3UQ B HC4 4 101 . A HETATM 4404 H HC5 . 3UQ B 2 . ? 5.959 4.199 3.697 1.0 1.25 ? 101 3UQ B HC5 4 101 . A HETATM 4405 RU RU . 3UQ B 2 . ? 7.926 3.000 2.730 1.0 0.85 ? 101 3UQ B RU 5 101 . A HETATM 4406 C CC1 . 3UQ B 2 . ? 6.762 2.513 4.539 1.0 1.25 ? 101 3UQ B CC1 5 101 . A HETATM 4407 C CC2 . 3UQ B 2 . ? 7.618 3.624 4.817 1.0 1.23 ? 101 3UQ B CC2 5 101 . A HETATM 4408 C CC3 . 3UQ B 2 . ? 7.243 4.702 3.950 1.0 1.1 ? 101 3UQ B CC3 5 101 . A HETATM 4409 C CC4 . 3UQ B 2 . ? 5.861 2.904 3.501 1.0 1.17 ? 101 3UQ B CC4 5 101 . A HETATM 4410 C CC5 . 3UQ B 2 . ? 6.155 4.255 3.136 1.0 1.11 ? 101 3UQ B CC5 5 101 . A HETATM 4411 H HC1 . 3UQ B 2 . ? 6.792 1.541 5.031 1.0 1.46 ? 101 3UQ B HC1 5 101 . A HETATM 4412 H HC2 . 3UQ B 2 . ? 8.419 3.646 5.557 1.0 1.46 ? 101 3UQ B HC2 5 101 . A HETATM 4413 H HC3 . 3UQ B 2 . ? 7.707 5.688 3.917 1.0 1.19 ? 101 3UQ B HC3 5 101 . A HETATM 4414 H HC4 . 3UQ B 2 . ? 5.083 2.279 3.063 1.0 1.33 ? 101 3UQ B HC4 5 101 . A HETATM 4415 H HC5 . 3UQ B 2 . ? 5.642 4.841 2.374 1.0 1.25 ? 101 3UQ B HC5 5 101 . A HETATM 4416 RU RU . 3UQ B 2 . ? 7.839 3.015 2.681 1.0 0.85 ? 101 3UQ B RU 6 101 . A HETATM 4417 C CC1 . 3UQ B 2 . ? 6.657 2.536 4.480 1.0 1.25 ? 101 3UQ B CC1 6 101 . A HETATM 4418 C CC2 . 3UQ B 2 . ? 7.507 3.651 4.761 1.0 1.23 ? 101 3UQ B CC2 6 101 . A HETATM 4419 C CC3 . 3UQ B 2 . ? 7.139 4.722 3.883 1.0 1.1 ? 101 3UQ B CC3 6 101 . A HETATM 4420 C CC4 . 3UQ B 2 . ? 5.766 2.919 3.430 1.0 1.17 ? 101 3UQ B CC4 6 101 . A HETATM 4421 C CC5 . 3UQ B 2 . ? 6.062 4.269 3.060 1.0 1.11 ? 101 3UQ B CC5 6 101 . A HETATM 4422 H HC1 . 3UQ B 2 . ? 6.683 1.567 4.979 1.0 1.46 ? 101 3UQ B HC1 6 101 . A HETATM 4423 H HC2 . 3UQ B 2 . ? 8.299 3.680 5.509 1.0 1.46 ? 101 3UQ B HC2 6 101 . A HETATM 4424 H HC3 . 3UQ B 2 . ? 7.601 5.709 3.848 1.0 1.19 ? 101 3UQ B HC3 6 101 . A HETATM 4425 H HC4 . 3UQ B 2 . ? 4.994 2.290 2.987 1.0 1.33 ? 101 3UQ B HC4 6 101 . A HETATM 4426 H HC5 . 3UQ B 2 . ? 5.555 4.848 2.288 1.0 1.25 ? 101 3UQ B HC5 6 101 . A HETATM 4427 RU RU . 3UQ B 2 . ? 7.826 3.012 2.706 1.0 0.85 ? 101 3UQ B RU 7 101 . A HETATM 4428 C CC1 . 3UQ B 2 . ? 6.625 2.537 4.494 1.0 1.25 ? 101 3UQ B CC1 7 101 . A HETATM 4429 C CC2 . 3UQ B 2 . ? 7.483 3.645 4.785 1.0 1.23 ? 101 3UQ B CC2 7 101 . A HETATM 4430 C CC3 . 3UQ B 2 . ? 7.130 4.721 3.907 1.0 1.1 ? 101 3UQ B CC3 7 101 . A HETATM 4431 C CC4 . 3UQ B 2 . ? 5.746 2.930 3.438 1.0 1.17 ? 101 3UQ B CC4 7 101 . A HETATM 4432 C CC5 . 3UQ B 2 . ? 6.055 4.278 3.074 1.0 1.11 ? 101 3UQ B CC5 7 101 . A HETATM 4433 H HC1 . 3UQ B 2 . ? 6.640 1.567 4.989 1.0 1.46 ? 101 3UQ B HC1 7 101 . A HETATM 4434 H HC2 . 3UQ B 2 . ? 8.269 3.664 5.539 1.0 1.46 ? 101 3UQ B HC2 7 101 . A HETATM 4435 H HC3 . 3UQ B 2 . ? 7.600 5.704 3.879 1.0 1.19 ? 101 3UQ B HC3 7 101 . A HETATM 4436 H HC4 . 3UQ B 2 . ? 4.973 2.308 2.987 1.0 1.33 ? 101 3UQ B HC4 7 101 . A HETATM 4437 H HC5 . 3UQ B 2 . ? 5.560 4.865 2.300 1.0 1.25 ? 101 3UQ B HC5 7 101 . A HETATM 4438 RU RU . 3UQ B 2 . ? 7.871 1.864 3.624 1.0 0.85 ? 101 3UQ B RU 8 101 . A HETATM 4439 C CC1 . 3UQ B 2 . ? 6.735 1.013 5.312 1.0 1.25 ? 101 3UQ B CC1 8 101 . A HETATM 4440 C CC2 . 3UQ B 2 . ? 7.742 1.893 5.820 1.0 1.23 ? 101 3UQ B CC2 8 101 . A HETATM 4441 C CC3 . 3UQ B 2 . ? 7.473 3.209 5.322 1.0 1.1 ? 101 3UQ B CC3 8 101 . A HETATM 4442 C CC4 . 3UQ B 2 . ? 5.847 1.786 4.501 1.0 1.17 ? 101 3UQ B CC4 8 101 . A HETATM 4443 C CC5 . 3UQ B 2 . ? 6.301 3.142 4.506 1.0 1.11 ? 101 3UQ B CC5 8 101 . A HETATM 4444 H HC1 . 3UQ B 2 . ? 6.659 -0.057 5.509 1.0 1.46 ? 101 3UQ B HC1 8 101 . A HETATM 4445 H HC2 . 3UQ B 2 . ? 8.571 1.610 6.469 1.0 1.46 ? 101 3UQ B HC2 8 101 . A HETATM 4446 H HC3 . 3UQ B 2 . ? 8.062 4.104 5.529 1.0 1.19 ? 101 3UQ B HC3 8 101 . A HETATM 4447 H HC4 . 3UQ B 2 . ? 4.976 1.406 3.969 1.0 1.33 ? 101 3UQ B HC4 8 101 . A HETATM 4448 H HC5 . 3UQ B 2 . ? 5.836 3.977 3.982 1.0 1.25 ? 101 3UQ B HC5 8 101 . A HETATM 4449 RU RU . 3UQ B 2 . ? 7.379 2.709 3.021 1.0 0.85 ? 101 3UQ B RU 9 101 . A HETATM 4450 C CC1 . 3UQ B 2 . ? 6.228 2.067 4.789 1.0 1.25 ? 101 3UQ B CC1 9 101 . A HETATM 4451 C CC2 . 3UQ B 2 . ? 7.084 3.153 5.155 1.0 1.23 ? 101 3UQ B CC2 9 101 . A HETATM 4452 C CC3 . 3UQ B 2 . ? 6.700 4.299 4.385 1.0 1.1 ? 101 3UQ B CC3 9 101 . A HETATM 4453 C CC4 . 3UQ B 2 . ? 5.319 2.543 3.794 1.0 1.17 ? 101 3UQ B CC4 9 101 . A HETATM 4454 C CC5 . 3UQ B 2 . ? 5.608 3.921 3.544 1.0 1.11 ? 101 3UQ B CC5 9 101 . A HETATM 4455 H HC1 . 3UQ B 2 . ? 6.263 1.057 5.197 1.0 1.46 ? 101 3UQ B HC1 9 101 . A HETATM 4456 H HC2 . 3UQ B 2 . ? 7.889 3.115 5.889 1.0 1.46 ? 101 3UQ B HC2 9 101 . A HETATM 4457 H HC3 . 3UQ B 2 . ? 7.161 5.286 4.433 1.0 1.19 ? 101 3UQ B HC3 9 101 . A HETATM 4458 H HC4 . 3UQ B 2 . ? 4.540 1.956 3.309 1.0 1.33 ? 101 3UQ B HC4 9 101 . A HETATM 4459 H HC5 . 3UQ B 2 . ? 5.089 4.567 2.837 1.0 1.25 ? 101 3UQ B HC5 9 101 . A HETATM 4460 RU RU . 3UQ B 2 . ? 7.838 2.993 2.720 1.0 0.85 ? 101 3UQ B RU 10 101 . A HETATM 4461 C CC1 . 3UQ B 2 . ? 6.660 2.506 4.520 1.0 1.25 ? 101 3UQ B CC1 10 101 . A HETATM 4462 C CC2 . 3UQ B 2 . ? 7.513 3.618 4.805 1.0 1.23 ? 101 3UQ B CC2 10 101 . A HETATM 4463 C CC3 . 3UQ B 2 . ? 7.144 4.695 3.935 1.0 1.1 ? 101 3UQ B CC3 10 101 . A HETATM 4464 C CC4 . 3UQ B 2 . ? 5.767 2.896 3.475 1.0 1.17 ? 101 3UQ B CC4 10 101 . A HETATM 4465 C CC5 . 3UQ B 2 . ? 6.063 4.247 3.112 1.0 1.11 ? 101 3UQ B CC5 10 101 . A HETATM 4466 H HC1 . 3UQ B 2 . ? 6.686 1.534 5.013 1.0 1.46 ? 101 3UQ B HC1 10 101 . A HETATM 4467 H HC2 . 3UQ B 2 . ? 8.307 3.641 5.551 1.0 1.46 ? 101 3UQ B HC2 10 101 . A HETATM 4468 H HC3 . 3UQ B 2 . ? 7.606 5.681 3.905 1.0 1.19 ? 101 3UQ B HC3 10 101 . A HETATM 4469 H HC4 . 3UQ B 2 . ? 4.993 2.270 3.030 1.0 1.33 ? 101 3UQ B HC4 10 101 . A HETATM 4470 H HC5 . 3UQ B 2 . ? 5.555 4.832 2.345 1.0 1.25 ? 101 3UQ B HC5 10 101 . A #