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*** SilF ***elNémo ID: 21030911305337284Job options:ID = 21030911305337284 JOBID = SilF USERID = unknown PRIVAT = 0 NMODES = 5 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER SilF # generated by PyMOL 2.4.2 # data_SilF_ryan_9th_ref_300320_refmac1_amplitude _entry.id SilF_ryan_9th_ref_300320_refmac1_amplitude # _cell.entry_id SilF_ryan_9th_ref_300320_refmac1_amplitude _cell.length_a 85.174 _cell.length_b 85.174 _cell.length_c 328.938 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _symmetry.entry_id SilF_ryan_9th_ref_300320_refmac1_amplitude _symmetry.space_group_name_H-M 'P 32 2 1' # 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_asym_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLN . . 13 ? 40.417 -30.251 -11.247 1.00 116.86 0 X 1 ATOM 2 C CA . GLN . . 13 ? 41.207 -31.052 -12.222 1.00 114.83 0 X 1 ATOM 3 C C . GLN . . 13 ? 42.387 -30.233 -12.763 1.00 110.73 0 X 1 ATOM 4 O O . GLN . . 13 ? 43.316 -30.857 -13.270 1.00 101.81 0 X 1 ATOM 5 C CB . GLN . . 13 ? 40.294 -31.569 -13.342 1.00 120.87 0 X 1 ATOM 6 C CG . GLN . . 13 ? 39.410 -30.496 -13.974 1.00 127.17 0 X 1 ATOM 7 C CD . GLN . . 13 ? 38.016 -30.987 -14.303 1.00 115.66 0 X 1 ATOM 8 N NE2 . GLN . . 13 ? 37.640 -30.880 -15.570 1.00 92.99 0 X 1 ATOM 9 O OE1 . GLN . . 13 ? 37.284 -31.446 -13.422 1.00 75.12 0 X 1 ATOM 10 N N . GLN . . 14 ? 42.369 -28.899 -12.623 1.00 92.86 0 X 1 ATOM 11 C CA . GLN . . 14 ? 43.449 -27.974 -13.035 1.00 73.69 0 X 1 ATOM 12 C C . GLN . . 14 ? 44.561 -27.957 -11.977 1.00 69.01 0 X 1 ATOM 13 O O . GLN . . 14 ? 44.333 -27.427 -10.871 1.00 72.45 0 X 1 ATOM 14 C CB . GLN . . 14 ? 42.839 -26.590 -13.266 1.00 69.98 0 X 1 ATOM 15 C CG . GLN . . 14 ? 43.863 -25.513 -13.621 1.00 74.37 0 X 1 ATOM 16 C CD . GLN . . 14 ? 44.702 -25.892 -14.826 1.00 80.85 0 X 1 ATOM 17 N NE2 . GLN . . 14 ? 44.306 -25.402 -15.996 1.00 61.61 0 X 1 ATOM 18 O OE1 . GLN . . 14 ? 45.681 -26.636 -14.718 1.00 68.55 0 X 1 ATOM 19 N N . VAL . . 15 ? 45.714 -28.544 -12.292 1.00 70.41 0 X 1 ATOM 20 C CA . VAL . . 15 ? 46.941 -28.543 -11.441 1.00 54.90 0 X 1 ATOM 21 C C . VAL . . 15 ? 47.454 -27.112 -11.302 1.00 59.17 0 X 1 ATOM 22 O O . VAL . . 15 ? 47.646 -26.473 -12.333 1.00 67.53 0 X 1 ATOM 23 C CB . VAL . . 15 ? 48.034 -29.443 -12.046 1.00 50.22 0 X 1 ATOM 24 C CG1 . VAL . . 15 ? 49.374 -29.228 -11.406 1.00 51.58 0 X 1 ATOM 25 C CG2 . VAL . . 15 ? 47.671 -30.907 -11.956 1.00 60.30 0 X 1 ATOM 26 N N . ILE . . 16 ? 47.714 -26.668 -10.063 1.00 60.65 0 X 1 ATOM 27 C CA . ILE . . 16 ? 48.286 -25.322 -9.793 1.00 54.00 0 X 1 ATOM 28 C C . ILE . . 16 ? 49.687 -25.494 -9.230 1.00 49.77 0 X 1 ATOM 29 O O . ILE . . 16 ? 49.893 -26.457 -8.491 1.00 58.80 0 X 1 ATOM 30 C CB . ILE . . 16 ? 47.401 -24.502 -8.860 1.00 52.84 0 X 1 ATOM 31 C CG1 . ILE . . 16 ? 45.931 -24.565 -9.315 1.00 56.75 0 X 1 ATOM 32 C CG2 . ILE . . 16 ? 47.984 -23.088 -8.713 1.00 53.03 0 X 1 ATOM 33 C CD1 . ILE . . 16 ? 45.051 -23.341 -9.133 1.00 57.80 0 X 1 ATOM 34 N N . ARG . . 17 ? 50.591 -24.593 -9.618 1.00 55.08 0 X 1 ATOM 35 C CA . ARG . . 17 ? 52.031 -24.654 -9.289 1.00 55.43 0 X 1 ATOM 36 C C . ARG . . 17 ? 52.390 -23.402 -8.497 1.00 62.39 0 X 1 ATOM 37 O O . ARG . . 17 ? 51.992 -22.288 -8.893 1.00 65.49 0 X 1 ATOM 38 C CB . ARG . . 17 ? 52.887 -24.779 -10.546 1.00 60.95 0 X 1 ATOM 39 C CG . ARG . . 17 ? 52.872 -26.197 -11.101 1.00 62.00 0 X 1 ATOM 40 C CD . ARG . . 17 ? 53.094 -26.344 -12.561 1.00 66.54 0 X 1 ATOM 41 N NE . ARG . . 17 ? 52.004 -27.145 -13.119 1.00 66.48 0 X 1 ATOM 42 C CZ . ARG . . 17 ? 52.075 -27.855 -14.240 1.00 77.58 0 X 1 ATOM 43 N NH1 . ARG . . 17 ? 53.203 -27.929 -14.939 1.00 84.28 1 X 1 ATOM 44 N NH2 . ARG . . 17 ? 51.005 -28.507 -14.682 1.00 74.95 0 X 1 ATOM 45 N N . GLY . . 18 ? 53.101 -23.617 -7.386 1.00 51.47 0 X 1 ATOM 46 C CA . GLY . . 18 ? 53.695 -22.545 -6.582 1.00 49.14 0 X 1 ATOM 47 C C . GLY . . 18 ? 55.075 -22.952 -6.122 1.00 49.15 0 X 1 ATOM 48 O O . GLY . . 18 ? 55.460 -24.126 -6.410 1.00 38.71 0 X 1 ATOM 49 N N . SER . . 19 ? 55.765 -22.026 -5.446 1.00 44.93 0 X 1 ATOM 50 C CA . SER . . 19 ? 57.047 -22.314 -4.742 1.00 52.55 0 X 1 ATOM 51 C C . SER . . 19 ? 56.945 -21.797 -3.303 1.00 44.57 0 X 1 ATOM 52 O O . SER . . 19 ? 56.192 -20.836 -3.055 1.00 62.41 0 X 1 ATOM 53 C CB . SER . . 19 ? 58.225 -21.718 -5.463 1.00 51.63 0 X 1 ATOM 54 O OG . SER . . 19 ? 58.033 -20.319 -5.643 1.00 63.93 0 X 1 ATOM 55 N N . GLY . . 20 ? 57.686 -22.395 -2.384 1.00 50.78 0 X 1 ATOM 56 C CA . GLY . . 20 ? 57.740 -21.918 -0.994 1.00 52.25 0 X 1 ATOM 57 C C . GLY . . 20 ? 58.633 -22.756 -0.127 1.00 55.46 0 X 1 ATOM 58 O O . GLY . . 20 ? 59.349 -23.596 -0.654 1.00 59.95 0 X 1 ATOM 59 N N . VAL . . 21 ? 58.580 -22.516 1.176 1.00 63.52 0 X 1 ATOM 60 C CA . VAL . . 21 ? 59.329 -23.258 2.232 1.00 59.81 0 X 1 ATOM 61 C C . VAL . . 21 ? 58.323 -24.083 3.031 1.00 61.78 0 X 1 ATOM 62 O O . VAL . . 21 ? 57.256 -23.551 3.385 1.00 50.17 0 X 1 ATOM 63 C CB . VAL . . 21 ? 60.097 -22.279 3.130 1.00 57.38 0 X 1 ATOM 64 C CG1 . VAL . . 21 ? 60.983 -23.030 4.098 1.00 61.21 0 X 1 ATOM 65 C CG2 . VAL . . 21 ? 60.891 -21.269 2.293 1.00 57.26 0 X 1 ATOM 66 N N . VAL . . 22 ? 58.648 -25.354 3.270 1.00 55.34 0 X 1 ATOM 67 C CA . VAL . . 22 ? 57.837 -26.280 4.109 1.00 52.64 0 X 1 ATOM 68 C C . VAL . . 22 ? 58.148 -25.960 5.564 1.00 51.09 0 X 1 ATOM 69 O O . VAL . . 22 ? 59.342 -25.926 5.910 1.00 54.58 0 X 1 ATOM 70 C CB . VAL . . 22 ? 58.122 -27.748 3.776 1.00 45.94 0 X 1 ATOM 71 C CG1 . VAL . . 22 ? 57.299 -28.686 4.626 1.00 44.22 0 X 1 ATOM 72 C CG2 . VAL . . 22 ? 57.913 -28.039 2.303 1.00 43.21 0 X 1 ATOM 73 N N . LYS . . 23 ? 57.113 -25.736 6.374 1.00 47.82 0 X 1 ATOM 74 C CA . LYS . . 23 ? 57.255 -25.217 7.764 1.00 46.07 0 X 1 ATOM 75 C C . LYS . . 23 ? 56.710 -26.206 8.781 1.00 39.73 0 X 1 ATOM 76 O O . LYS . . 23 ? 57.104 -26.115 9.936 1.00 48.99 0 X 1 ATOM 77 C CB . LYS . . 23 ? 56.520 -23.878 7.904 1.00 44.51 0 X 1 ATOM 78 C CG . LYS . . 23 ? 57.110 -22.752 7.075 1.00 45.12 0 X 1 ATOM 79 C CD . LYS . . 23 ? 58.508 -22.373 7.543 1.00 45.42 0 X 1 ATOM 80 C CE . LYS . . 23 ? 58.964 -21.066 6.927 1.00 50.71 0 X 1 ATOM 81 N NZ . LYS . . 23 ? 60.310 -20.703 7.416 1.00 58.80 1 X 1 ATOM 82 N N . ALA . . 24 ? 55.862 -27.146 8.381 1.00 49.96 0 X 1 ATOM 83 C CA . ALA . . 24 ? 55.289 -28.147 9.310 1.00 47.30 0 X 1 ATOM 84 C C . ALA . . 24 ? 54.808 -29.373 8.563 1.00 46.57 0 X 1 ATOM 85 O O . ALA . . 24 ? 54.513 -29.226 7.389 1.00 51.91 0 X 1 ATOM 86 C CB . ALA . . 24 ? 54.157 -27.542 10.078 1.00 50.53 0 X 1 ATOM 87 N N . ILE . . 25 ? 54.706 -30.495 9.259 1.00 47.14 0 X 1 ATOM 88 C CA . ILE . . 25 ? 54.042 -31.741 8.761 1.00 49.56 0 X 1 ATOM 89 C C . ILE . . 25 ? 53.302 -32.383 9.937 1.00 45.19 0 X 1 ATOM 90 O O . ILE . . 25 ? 53.879 -32.439 10.987 1.00 48.01 0 X 1 ATOM 91 C CB . ILE . . 25 ? 54.998 -32.706 8.052 1.00 61.39 0 X 1 ATOM 92 C CG1 . ILE . . 25 ? 56.043 -31.980 7.226 1.00 79.45 0 X 1 ATOM 93 C CG2 . ILE . . 25 ? 55.291 -34.146 8.512 1.00 79.52 0 X 1 ATOM 94 C CD1 . ILE . . 25 ? 56.971 -32.859 6.420 1.00 76.26 0 X 1 ATOM 95 N N . ASP . . 26 ? 52.087 -32.863 9.707 1.00 44.97 0 X 1 ATOM 96 C CA . ASP . . 26 ? 51.301 -33.674 10.666 1.00 54.78 0 X 1 ATOM 97 C C . ASP . . 26 ? 50.940 -34.998 9.979 1.00 60.16 0 X 1 ATOM 98 O O . ASP . . 26 ? 50.216 -34.947 8.983 1.00 65.19 0 X 1 ATOM 99 C CB . ASP . . 26 ? 50.041 -32.944 11.117 1.00 48.67 0 X 1 ATOM 100 C CG . ASP . . 26 ? 49.371 -33.613 12.315 1.00 70.48 0 X 1 ATOM 101 O OD1 . ASP . . 26 ? 49.289 -34.868 12.327 1.00 69.76 0 X 1 ATOM 102 O OD2 . ASP . . 26 ? 48.873 -32.893 13.201 1.00 64.02 -1 X 1 ATOM 103 N N . MET . . 27 ? 51.402 -36.132 10.497 1.00 60.25 0 X 1 ATOM 104 C CA . MET . . 27 ? 51.055 -37.466 9.937 1.00 62.65 0 X 1 ATOM 105 C C . MET . . 27 ? 49.631 -37.881 10.306 1.00 53.00 0 X 1 ATOM 106 O O . MET . . 27 ? 49.113 -38.769 9.650 1.00 55.08 0 X 1 ATOM 107 C CB . MET . . 27 ? 52.027 -38.534 10.435 1.00 68.09 0 X 1 ATOM 108 C CG . MET . . 27 ? 53.471 -38.218 10.106 1.00 64.70 0 X 1 ATOM 109 S SD . MET . . 27 ? 53.789 -37.987 8.348 1.00 78.80 0 X 1 ATOM 110 C CE . MET . . 27 ? 53.482 -39.622 7.670 1.00 76.62 0 X 1 ATOM 111 N N . ASN . . 28 ? 49.015 -37.287 11.326 1.00 49.09 0 X 1 ATOM 112 C CA . ASN . . 28 ? 47.640 -37.689 11.733 1.00 56.71 0 X 1 ATOM 113 C C . ASN . . 28 ? 46.633 -37.046 10.788 1.00 60.16 0 X 1 ATOM 114 O O . ASN . . 28 ? 45.758 -37.753 10.319 1.00 57.07 0 X 1 ATOM 115 C CB . ASN . . 28 ? 47.310 -37.318 13.178 1.00 64.32 0 X 1 ATOM 116 C CG . ASN . . 28 ? 47.948 -38.250 14.186 1.00 74.69 0 X 1 ATOM 117 N ND2 . ASN . . 28 ? 47.176 -38.704 15.158 1.00 86.67 0 X 1 ATOM 118 O OD1 . ASN . . 28 ? 49.150 -38.508 14.124 1.00 77.58 0 X 1 ATOM 119 N N . SER . . 29 ? 46.757 -35.740 10.553 1.00 63.48 0 X 1 ATOM 120 C CA . SER . . 29 ? 45.899 -34.924 9.666 1.00 55.00 0 X 1 ATOM 121 C C . SER . . 29 ? 46.373 -35.015 8.207 1.00 60.59 0 X 1 ATOM 122 O O . SER . . 29 ? 45.624 -34.605 7.297 1.00 67.19 0 X 1 ATOM 123 C CB . SER . . 29 ? 45.889 -33.493 10.134 1.00 56.51 0 X 1 ATOM 124 O OG . SER . . 29 ? 44.619 -33.186 10.639 1.00 55.44 0 X 1 ATOM 125 N N . LYS . . 30 ? 47.593 -35.520 8.000 1.00 59.31 0 X 1 ATOM 126 C CA . LYS . . 30 ? 48.219 -35.643 6.676 1.00 53.36 0 X 1 ATOM 127 C C . LYS . . 30 ? 48.294 -34.271 6.002 1.00 54.02 0 X 1 ATOM 128 O O . LYS . . 30 ? 47.977 -34.182 4.796 1.00 49.76 0 X 1 ATOM 129 C CB . LYS . . 30 ? 47.442 -36.655 5.834 1.00 54.24 0 X 1 ATOM 130 C CG . LYS . . 30 ? 47.531 -38.114 6.317 1.00 60.29 0 X 1 ATOM 131 C CD . LYS . . 30 ? 47.737 -39.150 5.214 1.00 73.29 0 X 1 ATOM 132 C CE . LYS . . 30 ? 47.012 -40.452 5.445 1.00 79.02 0 X 1 ATOM 133 N NZ . LYS . . 30 ? 45.589 -40.174 5.191 1.00 86.10 1 X 1 ATOM 134 N N . LYS . . 31 ? 48.729 -33.240 6.737 1.00 60.31 0 X 1 ATOM 135 C CA . LYS . . 31 ? 48.862 -31.844 6.223 1.00 58.66 0 X 1 ATOM 136 C C . LYS . . 31 ? 50.324 -31.409 6.211 1.00 57.45 0 X 1 ATOM 137 O O . LYS . . 31 ? 51.013 -31.672 7.223 1.00 41.97 0 X 1 ATOM 138 C CB . LYS . . 31 ? 48.122 -30.882 7.160 1.00 52.11 0 X 1 ATOM 139 C CG . LYS . . 31 ? 46.645 -31.185 7.320 1.00 50.79 0 X 1 ATOM 140 C CD . LYS . . 31 ? 45.829 -30.687 6.182 1.00 47.43 0 X 1 ATOM 141 C CE . LYS . . 31 ? 44.360 -30.993 6.345 1.00 66.12 0 X 1 ATOM 142 N NZ . LYS . . 31 ? 44.015 -32.290 5.713 1.00 81.41 1 X 1 ATOM 143 N N . ILE . . 32 ? 50.773 -30.813 5.109 1.00 53.22 0 X 1 ATOM 144 C CA . ILE . . 32 ? 52.085 -30.120 4.971 1.00 51.88 0 X 1 ATOM 145 C C . ILE . . 32 ? 51.779 -28.623 5.036 1.00 47.30 0 X 1 ATOM 146 O O . ILE . . 32 ? 50.992 -28.140 4.225 1.00 52.73 0 X 1 ATOM 147 C CB . ILE . . 32 ? 52.743 -30.456 3.621 1.00 59.56 0 X 1 ATOM 148 C CG1 . ILE . . 32 ? 52.642 -31.935 3.247 1.00 65.51 0 X 1 ATOM 149 C CG2 . ILE . . 32 ? 54.172 -29.958 3.576 1.00 68.55 0 X 1 ATOM 150 C CD1 . ILE . . 32 ? 53.402 -32.833 4.158 1.00 73.29 0 X 1 ATOM 151 N N . THR . . 33 ? 52.375 -27.880 5.932 1.00 43.30 0 X 1 ATOM 152 C CA . THR . . 33 ? 52.256 -26.405 5.932 1.00 47.81 0 X 1 ATOM 153 C C . THR . . 33 ? 53.396 -25.844 5.091 1.00 49.88 0 X 1 ATOM 154 O O . THR . . 33 ? 54.531 -26.164 5.409 1.00 55.51 0 X 1 ATOM 155 C CB . THR . . 33 ? 52.276 -25.831 7.347 1.00 53.18 0 X 1 ATOM 156 C CG2 . THR . . 33 ? 52.149 -24.321 7.361 1.00 46.55 0 X 1 ATOM 157 O OG1 . THR . . 33 ? 51.213 -26.472 8.041 1.00 47.07 0 X 1 ATOM 158 N N . ILE . . 34 ? 53.077 -25.088 4.047 1.00 51.32 0 X 1 ATOM 159 C CA . ILE . . 34 ? 54.059 -24.370 3.195 1.00 47.05 0 X 1 ATOM 160 C C . ILE . . 34 ? 53.794 -22.876 3.273 1.00 47.52 0 X 1 ATOM 161 O O . ILE . . 34 ? 52.642 -22.468 3.037 1.00 46.62 0 X 1 ATOM 162 C CB . ILE . . 34 ? 53.963 -24.846 1.727 1.00 47.32 0 X 1 ATOM 163 C CG1 . ILE . . 34 ? 54.272 -26.339 1.620 1.00 43.31 0 X 1 ATOM 164 C CG2 . ILE . . 34 ? 54.889 -24.007 0.846 1.00 45.56 0 X 1 ATOM 165 C CD1 . ILE . . 34 ? 53.734 -26.997 0.444 1.00 44.53 0 X 1 ATOM 166 N N . SER . . 35 ? 54.842 -22.109 3.561 1.00 50.18 0 X 1 ATOM 167 C CA . SER . . 35 ? 54.923 -20.653 3.289 1.00 40.85 0 X 1 ATOM 168 C C . SER . . 35 ? 55.273 -20.452 1.835 1.00 42.36 0 X 1 ATOM 169 O O . SER . . 35 ? 56.458 -20.633 1.472 1.00 60.30 0 X 1 ATOM 170 C CB . SER . . 35 ? 55.948 -20.011 4.197 1.00 45.30 0 X 1 ATOM 171 O OG . SER . . 35 ? 56.226 -18.692 3.765 1.00 49.69 0 X 1 ATOM 172 N N . HIS . . 36 ? 54.294 -20.133 1.001 1.00 50.83 0 X 1 ATOM 173 C CA . HIS . . 36 ? 54.457 -20.008 -0.472 1.00 41.24 0 X 1 ATOM 174 C C . HIS . . 36 ? 54.406 -18.549 -0.891 1.00 55.74 0 X 1 ATOM 175 O O . HIS . . 36 ? 53.881 -17.711 -0.109 1.00 50.79 0 X 1 ATOM 176 C CB . HIS . . 36 ? 53.420 -20.853 -1.218 1.00 38.93 0 X 1 ATOM 177 C CG . HIS . . 36 ? 52.012 -20.492 -0.943 1.00 43.51 0 X 1 ATOM 178 C CD2 . HIS . . 36 ? 51.065 -21.101 -0.202 1.00 39.72 0 X 1 ATOM 179 N ND1 . HIS . . 36 ? 51.397 -19.445 -1.597 1.00 54.66 0 X 1 ATOM 180 C CE1 . HIS . . 36 ? 50.120 -19.400 -1.220 1.00 47.15 0 X 1 ATOM 181 N NE2 . HIS . . 36 ? 49.888 -20.408 -0.392 1.00 41.40 0 X 1 ATOM 182 N N . GLU . . 37 ? 54.925 -18.287 -2.100 1.00 61.68 0 X 1 ATOM 183 C CA . GLU . . 37 ? 54.944 -16.940 -2.715 1.00 62.16 0 X 1 ATOM 184 C C . GLU . . 37 ? 53.614 -16.766 -3.426 1.00 59.17 0 X 1 ATOM 185 O O . GLU . . 37 ? 52.895 -17.787 -3.601 1.00 56.57 0 X 1 ATOM 186 C CB . GLU . . 37 ? 56.150 -16.821 -3.642 1.00 54.25 0 X 1 ATOM 187 C CG . GLU . . 37 ? 57.453 -16.743 -2.844 1.00 66.40 0 X 1 ATOM 188 C CD . GLU . . 37 ? 58.736 -16.883 -3.644 1.00 82.81 0 X 1 ATOM 189 O OE1 . GLU . . 37 ? 59.738 -16.211 -3.281 1.00 94.95 0 X 1 ATOM 190 O OE2 . GLU . . 37 ? 58.756 -17.695 -4.592 1.00 101.54 -1 X 1 ATOM 191 N N . ALA . . 38 ? 53.276 -15.516 -3.774 1.00 45.87 0 X 1 ATOM 192 C CA . ALA . . 38 ? 52.014 -15.173 -4.455 1.00 48.52 0 X 1 ATOM 193 C C . ALA . . 38 ? 51.935 -16.040 -5.680 1.00 47.70 0 X 1 ATOM 194 O O . ALA . . 38 ? 52.992 -16.250 -6.326 1.00 56.90 0 X 1 ATOM 195 C CB . ALA . . 38 ? 51.936 -13.698 -4.813 1.00 42.47 0 X 1 ATOM 196 N N . ILE . . 39 ? 50.724 -16.467 -6.047 1.00 46.08 0 X 1 ATOM 197 C CA . ILE . . 39 ? 50.461 -17.108 -7.369 1.00 41.63 0 X 1 ATOM 198 C C . ILE . . 39 ? 49.484 -16.207 -8.101 1.00 55.51 0 X 1 ATOM 199 O O . ILE . . 39 ? 48.271 -16.414 -8.051 1.00 65.14 0 X 1 ATOM 200 C CB . ILE . . 39 ? 49.924 -18.542 -7.154 1.00 42.73 0 X 1 ATOM 201 C CG1 . ILE . . 39 ? 50.783 -19.356 -6.171 1.00 43.05 0 X 1 ATOM 202 C CG2 . ILE . . 39 ? 49.772 -19.233 -8.453 1.00 46.15 0 X 1 ATOM 203 C CD1 . ILE . . 39 ? 50.091 -20.605 -5.699 1.00 45.94 0 X 1 ATOM 204 N N . PRO . . 40 ? 49.964 -15.103 -8.706 1.00 67.16 0 X 1 ATOM 205 C CA . PRO . . 40 ? 49.064 -14.035 -9.172 1.00 67.86 0 X 1 ATOM 206 C C . PRO . . 40 ? 48.162 -14.523 -10.312 1.00 61.89 0 X 1 ATOM 207 O O . PRO . . 40 ? 47.078 -14.002 -10.493 1.00 64.85 0 X 1 ATOM 208 C CB . PRO . . 40 ? 50.026 -12.944 -9.647 1.00 72.95 0 X 1 ATOM 209 C CG . PRO . . 40 ? 51.292 -13.707 -9.997 1.00 71.64 0 X 1 ATOM 210 C CD . PRO . . 40 ? 51.385 -14.810 -8.973 1.00 66.76 0 X 1 ATOM 211 N N . ALA . . 41 ? 48.634 -15.526 -11.054 1.00 52.92 0 X 1 ATOM 212 C CA . ALA . . 41 ? 47.894 -16.223 -12.133 1.00 50.25 0 X 1 ATOM 213 C C . ALA . . 41 ? 46.517 -16.662 -11.631 1.00 52.39 0 X 1 ATOM 214 O O . ALA . . 41 ? 45.552 -16.516 -12.413 1.00 65.55 0 X 1 ATOM 215 C CB . ALA . . 41 ? 48.708 -17.371 -12.625 1.00 56.77 0 X 1 ATOM 216 N N . VAL . . 42 ? 46.390 -17.159 -10.397 1.00 56.18 0 X 1 ATOM 217 C CA . VAL . . 42 ? 45.085 -17.633 -9.838 1.00 50.57 0 X 1 ATOM 218 C C . VAL . . 42 ? 44.621 -16.710 -8.711 1.00 58.04 0 X 1 ATOM 219 O O . VAL . . 42 ? 43.598 -17.051 -8.064 1.00 66.45 0 X 1 ATOM 220 C CB . VAL . . 42 ? 45.158 -19.088 -9.343 1.00 63.56 0 X 1 ATOM 221 C CG1 . VAL . . 42 ? 44.726 -20.057 -10.426 1.00 66.56 0 X 1 ATOM 222 C CG2 . VAL . . 42 ? 46.516 -19.479 -8.808 1.00 61.69 0 X 1 ATOM 223 N N . GLY . . 43 ? 45.338 -15.606 -8.484 1.00 59.86 0 X 1 ATOM 224 C CA . GLY . . 43 ? 44.901 -14.522 -7.598 1.00 52.46 0 X 1 ATOM 225 C C . GLY . . 43 ? 45.172 -14.838 -6.159 1.00 63.21 0 X 1 ATOM 226 O O . GLY . . 43 ? 44.426 -14.295 -5.297 1.00 55.89 0 X 1 ATOM 227 N N . TRP . . 44 ? 46.187 -15.670 -5.882 1.00 66.10 0 X 1 ATOM 228 C CA . TRP . . 44 ? 46.584 -16.073 -4.501 1.00 49.28 0 X 1 ATOM 229 C C . TRP . . 44 ? 47.695 -15.170 -3.996 1.00 55.27 0 X 1 ATOM 230 O O . TRP . . 44 ? 48.728 -15.005 -4.664 1.00 52.27 0 X 1 ATOM 231 C CB . TRP . . 44 ? 47.057 -17.532 -4.472 1.00 46.97 0 X 1 ATOM 232 C CG . TRP . . 44 ? 45.971 -18.557 -4.573 1.00 50.49 0 X 1 ATOM 233 C CD1 . TRP . . 44 ? 44.783 -18.430 -5.225 1.00 45.00 0 X 1 ATOM 234 C CD2 . TRP . . 44 ? 45.944 -19.853 -3.945 1.00 49.07 0 X 1 ATOM 235 C CE2 . TRP . . 44 ? 44.704 -20.438 -4.288 1.00 51.91 0 X 1 ATOM 236 C CE3 . TRP . . 44 ? 46.887 -20.616 -3.268 1.00 56.08 0 X 1 ATOM 237 N NE1 . TRP . . 44 ? 44.002 -19.530 -5.039 1.00 48.54 0 X 1 ATOM 238 C CZ2 . TRP . . 44 ? 44.337 -21.715 -3.840 1.00 52.42 0 X 1 ATOM 239 C CZ3 . TRP . . 44 ? 46.506 -21.873 -2.804 1.00 59.75 0 X 1 ATOM 240 C CH2 . TRP . . 44 ? 45.208 -22.368 -3.001 1.00 42.44 0 X 1 ATOM 241 N N . PRO . . 45 ? 47.576 -14.624 -2.766 1.00 52.46 0 X 1 ATOM 242 C CA . PRO . . 45 ? 48.695 -13.900 -2.162 1.00 46.12 0 X 1 ATOM 243 C C . PRO . . 45 ? 49.698 -14.897 -1.592 1.00 53.44 0 X 1 ATOM 244 O O . PRO . . 45 ? 49.404 -16.077 -1.603 1.00 47.91 0 X 1 ATOM 245 C CB . PRO . . 45 ? 48.045 -13.087 -1.061 1.00 38.97 0 X 1 ATOM 246 C CG . PRO . . 45 ? 46.845 -13.937 -0.671 1.00 46.81 0 X 1 ATOM 247 C CD . PRO . . 45 ? 46.386 -14.653 -1.917 1.00 45.84 0 X 1 ATOM 248 N N . ALA . . 46 ? 50.832 -14.394 -1.117 1.00 53.57 0 X 1 ATOM 249 C CA . ALA . . 46 ? 51.836 -15.170 -0.354 1.00 44.06 0 X 1 ATOM 250 C C . ALA . . 46 ? 51.200 -15.507 0.971 1.00 47.57 0 X 1 ATOM 251 O O . ALA . . 46 ? 50.729 -14.581 1.661 1.00 56.30 0 X 1 ATOM 252 C CB . ALA . . 46 ? 53.127 -14.387 -0.177 1.00 38.93 0 X 1 ATOM 253 N N . MET . . 47 ? 51.177 -16.789 1.327 1.00 57.82 0 X 1 ATOM 254 C CA . MET . . 47 ? 50.516 -17.271 2.570 1.00 43.39 0 X 1 ATOM 255 C C . MET . . 47 ? 51.291 -18.444 3.118 1.00 46.30 0 X 1 ATOM 256 O O . MET . . 47 ? 52.053 -19.063 2.361 1.00 49.25 0 X 1 ATOM 257 C CB . MET . . 47 ? 49.107 -17.790 2.314 1.00 41.64 0 X 1 ATOM 258 C CG . MET . . 47 ? 48.219 -16.851 1.591 1.00 39.39 0 X 1 ATOM 259 S SD . MET . . 47 ? 46.617 -17.619 1.501 1.00 47.11 0 X 1 ATOM 260 C CE . MET . . 47 ? 46.690 -18.291 -0.155 1.00 42.21 0 X 1 ATOM 261 N N . THR . . 48 ? 50.970 -18.770 4.365 1.00 49.94 0 X 1 ATOM 262 C CA . THR . . 48 ? 51.287 -20.078 4.976 1.00 54.52 0 X 1 ATOM 263 C C . THR . . 48 ? 49.999 -20.883 5.007 1.00 60.83 0 X 1 ATOM 264 O O . THR . . 48 ? 49.039 -20.433 5.627 1.00 65.22 0 X 1 ATOM 265 C CB . THR . . 48 ? 51.931 -19.887 6.334 1.00 50.14 0 X 1 ATOM 266 C CG2 . THR . . 48 ? 52.277 -21.211 6.983 1.00 50.93 0 X 1 ATOM 267 O OG1 . THR . . 48 ? 53.109 -19.120 6.072 1.00 49.80 0 X 1 ATOM 268 N N . MET . . 49 ? 49.965 -21.985 4.266 1.00 65.44 0 X 1 ATOM 269 C CA . MET . . 49 ? 48.755 -22.789 3.989 1.00 51.29 0 X 1 ATOM 270 C C . MET . . 49 ? 49.080 -24.257 4.219 1.00 49.23 0 X 1 ATOM 271 O O . MET . . 49 ? 50.237 -24.636 4.007 1.00 46.91 0 X 1 ATOM 272 C CB . MET . . 49 ? 48.380 -22.619 2.503 1.00 68.38 0 X 1 ATOM 273 C CG . MET . . 49 ? 47.374 -21.533 2.291 1.00 70.85 0 X 1 ATOM 274 S SD . MET . . 49 ? 46.331 -21.985 0.947 1.00 62.93 0 X 1 ATOM 275 C CE . MET . . 49 ? 45.955 -23.729 1.183 1.00 65.02 0 X 1 ATOM 276 N N . ARG . . 50 ? 48.036 -25.033 4.502 1.00 54.72 0 X 1 ATOM 277 C CA . ARG . . 50 ? 48.079 -26.497 4.712 1.00 48.06 0 X 1 ATOM 278 C C . ARG . . 50 ? 47.623 -27.195 3.428 1.00 60.54 0 X 1 ATOM 279 O O . ARG . . 50 ? 46.548 -26.886 2.911 1.00 50.27 0 X 1 ATOM 280 C CB . ARG . . 50 ? 47.230 -26.866 5.932 1.00 64.26 0 X 1 ATOM 281 C CG . ARG . . 50 ? 47.825 -26.328 7.225 1.00 75.51 0 X 1 ATOM 282 C CD . ARG . . 50 ? 47.224 -26.893 8.483 1.00 85.04 0 X 1 ATOM 283 N NE . ARG . . 50 ? 45.791 -26.673 8.438 1.00 101.33 0 X 1 ATOM 284 C CZ . ARG . . 50 ? 44.890 -27.347 9.149 1.00 117.05 0 X 1 ATOM 285 N NH1 . ARG . . 50 ? 45.261 -28.309 9.982 1.00 115.91 1 X 1 ATOM 286 N NH2 . ARG . . 50 ? 43.606 -27.050 9.032 1.00 122.40 0 X 1 ATOM 287 N N . PHE . . 51 ? 48.469 -28.091 2.921 1.00 63.90 0 X 1 ATOM 288 C CA . PHE . . 51 ? 48.202 -28.935 1.742 1.00 58.13 0 X 1 ATOM 289 C C . PHE . . 51 ? 48.131 -30.373 2.209 1.00 62.34 0 X 1 ATOM 290 O O . PHE . . 51 ? 48.913 -30.799 3.100 1.00 75.17 0 X 1 ATOM 291 C CB . PHE . . 51 ? 49.307 -28.758 0.719 1.00 63.06 0 X 1 ATOM 292 C CG . PHE . . 51 ? 49.400 -27.332 0.240 1.00 53.82 0 X 1 ATOM 293 C CD1 . PHE . . 51 ? 50.181 -26.423 0.905 1.00 56.98 0 X 1 ATOM 294 C CD2 . PHE . . 51 ? 48.682 -26.904 -0.855 1.00 47.37 0 X 1 ATOM 295 C CE1 . PHE . . 51 ? 50.286 -25.123 0.460 1.00 61.44 0 X 1 ATOM 296 C CE2 . PHE . . 51 ? 48.730 -25.585 -1.261 1.00 49.09 0 X 1 ATOM 297 C CZ . PHE . . 51 ? 49.558 -24.705 -0.625 1.00 51.00 0 X 1 ATOM 298 N N . THR . . 52 ? 47.127 -31.091 1.719 1.00 52.41 0 X 1 ATOM 299 C CA . THR . . 52 ? 46.921 -32.496 2.109 1.00 44.96 0 X 1 ATOM 300 C C . THR . . 52 ? 47.758 -33.365 1.188 1.00 50.02 0 X 1 ATOM 301 O O . THR . . 52 ? 47.918 -33.008 -0.013 1.00 48.21 0 X 1 ATOM 302 C CB . THR . . 52 ? 45.449 -32.845 2.041 1.00 56.62 0 X 1 ATOM 303 C CG2 . THR . . 52 ? 45.168 -34.289 2.391 1.00 59.60 0 X 1 ATOM 304 O OG1 . THR . . 52 ? 44.867 -31.946 2.985 1.00 56.83 0 X 1 ATOM 305 N N . PHE . . 53 ? 48.275 -34.461 1.722 1.00 52.67 0 X 1 ATOM 306 C CA . PHE . . 53 ? 48.934 -35.507 0.912 1.00 56.10 0 X 1 ATOM 307 C C . PHE . . 53 ? 48.203 -36.831 1.123 1.00 53.52 0 X 1 ATOM 308 O O . PHE . . 53 ? 47.684 -37.073 2.197 1.00 55.43 0 X 1 ATOM 309 C CB . PHE . . 53 ? 50.417 -35.655 1.267 1.00 50.81 0 X 1 ATOM 310 C CG . PHE . . 53 ? 50.684 -36.047 2.697 1.00 56.23 0 X 1 ATOM 311 C CD1 . PHE . . 53 ? 50.745 -37.386 3.052 1.00 56.08 0 X 1 ATOM 312 C CD2 . PHE . . 53 ? 50.948 -35.092 3.674 1.00 64.51 0 X 1 ATOM 313 C CE1 . PHE . . 53 ? 50.991 -37.766 4.362 1.00 47.17 0 X 1 ATOM 314 C CE2 . PHE . . 53 ? 51.204 -35.472 4.980 1.00 58.78 0 X 1 ATOM 315 C CZ . PHE . . 53 ? 51.219 -36.811 5.322 1.00 53.41 0 X 1 ATOM 316 N N . VAL . . 54 ? 48.139 -37.621 0.065 1.00 64.86 0 X 1 ATOM 317 C CA . VAL . . 54 ? 47.981 -39.101 0.049 1.00 77.00 0 X 1 ATOM 318 C C . VAL . . 54 ? 49.349 -39.599 -0.412 1.00 85.48 0 X 1 ATOM 319 O O . VAL . . 54 ? 50.036 -38.811 -1.131 1.00 103.94 0 X 1 ATOM 320 C CB . VAL . . 54 ? 46.858 -39.525 -0.919 1.00 89.27 0 X 1 ATOM 321 C CG1 . VAL . . 54 ? 46.170 -40.810 -0.474 1.00 108.88 0 X 1 ATOM 322 C CG2 . VAL . . 54 ? 45.832 -38.423 -1.096 1.00 91.16 0 X 1 ATOM 323 N N . ASN . . 55 ? 49.750 -40.820 -0.060 1.00 81.77 0 X 1 ATOM 324 C CA . ASN . . 55 ? 51.020 -41.426 -0.570 1.00 83.84 0 X 1 ATOM 325 C C . ASN . . 55 ? 52.215 -40.913 0.235 1.00 84.12 0 X 1 ATOM 326 O O . ASN . . 55 ? 52.517 -39.697 0.177 1.00 64.29 0 X 1 ATOM 327 C CB . ASN . . 55 ? 51.323 -41.134 -2.044 1.00 97.14 0 X 1 ATOM 328 C CG . ASN . . 55 ? 50.240 -41.617 -2.999 1.00 98.05 0 X 1 ATOM 329 N ND2 . ASN . . 55 ? 50.202 -41.069 -4.203 1.00 87.82 0 X 1 ATOM 330 O OD1 . ASN . . 55 ? 49.431 -42.482 -2.663 1.00 113.68 0 X 1 ATOM 331 N N . ALA . . 56 ? 52.830 -41.830 0.986 1.00 95.91 0 X 1 ATOM 332 C CA . ALA . . 56 ? 54.083 -41.645 1.746 1.00 90.40 0 X 1 ATOM 333 C C . ALA . . 56 ? 55.095 -40.862 0.915 1.00 83.25 0 X 1 ATOM 334 O O . ALA . . 56 ? 55.699 -39.931 1.449 1.00 92.02 0 X 1 ATOM 335 C CB . ALA . . 56 ? 54.630 -43.002 2.122 1.00 101.05 0 X 1 ATOM 336 N N . ASP . . 57 ? 55.289 -41.248 -0.347 1.00 82.10 0 X 1 ATOM 337 C CA . ASP . . 57 ? 56.326 -40.698 -1.253 1.00 93.04 0 X 1 ATOM 338 C C . ASP . . 57 ? 56.325 -39.171 -1.185 1.00 89.60 0 X 1 ATOM 339 O O . ASP . . 57 ? 57.405 -38.597 -1.053 1.00 82.60 0 X 1 ATOM 340 C CB . ASP . . 57 ? 56.119 -41.218 -2.680 1.00 102.04 0 X 1 ATOM 341 C CG . ASP . . 57 ? 56.309 -42.729 -2.798 1.00 106.11 0 X 1 ATOM 342 O OD1 . ASP . . 57 ? 56.815 -43.353 -1.819 1.00 96.37 0 X 1 ATOM 343 O OD2 . ASP . . 57 ? 55.936 -43.282 -3.854 1.00 93.67 -1 X 1 ATOM 344 N N . ASP . . 58 ? 55.155 -38.544 -1.259 1.00 87.88 0 X 1 ATOM 345 C CA . ASP . . 58 ? 55.010 -37.060 -1.258 1.00 86.55 0 X 1 ATOM 346 C C . ASP . . 58 ? 55.395 -36.509 0.121 1.00 80.48 0 X 1 ATOM 347 O O . ASP . . 58 ? 56.056 -35.457 0.172 1.00 76.59 0 X 1 ATOM 348 C CB . ASP . . 58 ? 53.599 -36.631 -1.673 1.00 96.57 0 X 1 ATOM 349 C CG . ASP . . 58 ? 53.334 -36.720 -3.164 1.00 98.61 0 X 1 ATOM 350 O OD1 . ASP . . 58 ? 54.287 -36.452 -3.946 1.00 88.93 0 X 1 ATOM 351 O OD2 . ASP . . 58 ? 52.179 -37.047 -3.530 1.00 99.93 -1 X 1 ATOM 352 N N . ALA . . 59 ? 55.038 -37.220 1.193 1.00 69.45 0 X 1 ATOM 353 C CA . ALA . . 59 ? 55.409 -36.866 2.583 1.00 69.15 0 X 1 ATOM 354 C C . ALA . . 59 ? 56.933 -36.868 2.734 1.00 75.53 0 X 1 ATOM 355 O O . ALA . . 59 ? 57.478 -35.947 3.382 1.00 93.73 0 X 1 ATOM 356 C CB . ALA . . 59 ? 54.768 -37.827 3.547 1.00 68.20 0 X 1 ATOM 357 N N . ILE . . 60 ? 57.604 -37.870 2.185 1.00 70.49 0 X 1 ATOM 358 C CA . ILE . . 60 ? 59.073 -38.080 2.374 1.00 71.07 0 X 1 ATOM 359 C C . ILE . . 60 ? 59.803 -36.876 1.766 1.00 69.98 0 X 1 ATOM 360 O O . ILE . . 60 ? 60.797 -36.407 2.352 1.00 69.15 0 X 1 ATOM 361 C CB . ILE . . 60 ? 59.556 -39.401 1.738 1.00 76.13 0 X 1 ATOM 362 C CG1 . ILE . . 60 ? 58.810 -40.637 2.263 1.00 73.68 0 X 1 ATOM 363 C CG2 . ILE . . 60 ? 61.068 -39.537 1.907 1.00 68.66 0 X 1 ATOM 364 C CD1 . ILE . . 60 ? 58.907 -40.854 3.757 1.00 79.09 0 X 1 ATOM 365 N N . ASP . . 61 ? 59.314 -36.388 0.626 1.00 77.24 0 X 1 ATOM 366 C CA . ASP . . 61 ? 59.948 -35.271 -0.114 1.00 88.63 0 X 1 ATOM 367 C C . ASP . . 61 ? 59.807 -34.002 0.721 1.00 84.43 0 X 1 ATOM 368 O O . ASP . . 61 ? 60.807 -33.270 0.870 1.00 78.31 0 X 1 ATOM 369 C CB . ASP . . 61 ? 59.323 -35.124 -1.500 1.00 101.00 0 X 1 ATOM 370 C CG . ASP . . 61 ? 59.452 -36.339 -2.398 1.00 98.18 0 X 1 ATOM 371 O OD1 . ASP . . 61 ? 60.278 -37.228 -2.071 1.00 98.63 0 X 1 ATOM 372 O OD2 . ASP . . 61 ? 58.725 -36.377 -3.417 1.00 85.88 -1 X 1 ATOM 373 N N . ALA . . 62 ? 58.608 -33.767 1.259 1.00 79.40 0 X 1 ATOM 374 C CA . ALA . . 62 ? 58.276 -32.616 2.131 1.00 74.61 0 X 1 ATOM 375 C C . ALA . . 62 ? 59.191 -32.634 3.359 1.00 65.88 0 X 1 ATOM 376 O O . ALA . . 62 ? 59.670 -31.545 3.755 1.00 58.19 0 X 1 ATOM 377 C CB . ALA . . 62 ? 56.828 -32.695 2.551 1.00 73.69 0 X 1 ATOM 378 N N . ILE . . 63 ? 59.414 -33.824 3.938 1.00 57.78 0 X 1 ATOM 379 C CA . ILE . . 63 ? 60.247 -33.945 5.154 1.00 61.27 0 X 1 ATOM 380 C C . ILE . . 63 ? 61.681 -33.548 4.847 1.00 71.18 0 X 1 ATOM 381 O O . ILE . . 63 ? 62.319 -32.931 5.726 1.00 92.38 0 X 1 ATOM 382 C CB . ILE . . 63 ? 60.112 -35.188 6.005 1.00 63.72 0 X 1 ATOM 383 C CG1 . ILE . . 63 ? 58.735 -35.790 6.209 1.00 59.02 0 X 1 ATOM 384 C CG2 . ILE . . 63 ? 61.367 -35.857 6.540 1.00 63.79 0 X 1 ATOM 385 C CD1 . ILE . . 63 ? 58.692 -37.261 6.529 1.00 54.40 0 X 1 ATOM 386 N N . ASN . . 64 ? 62.177 -33.829 3.645 1.00 79.70 0 X 1 ATOM 387 C CA . ASN . . 64 ? 63.561 -33.466 3.252 1.00 83.81 0 X 1 ATOM 388 C C . ASN . . 64 ? 63.635 -31.947 3.064 1.00 86.74 0 X 1 ATOM 389 O O . ASN . . 64 ? 64.651 -31.355 3.444 1.00 97.72 0 X 1 ATOM 390 C CB . ASN . . 64 ? 64.020 -34.286 2.056 1.00 86.30 0 X 1 ATOM 391 C CG . ASN . . 64 ? 64.158 -35.752 2.416 1.00 94.66 0 X 1 ATOM 392 N ND2 . ASN . . 64 ? 63.708 -36.637 1.541 1.00 104.58 0 X 1 ATOM 393 O OD1 . ASN . . 64 ? 64.650 -36.089 3.493 1.00 84.24 0 X 1 ATOM 394 N N . ALA . . 65 ? 62.585 -31.349 2.506 1.00 72.16 0 X 1 ATOM 395 C CA . ALA . . 65 ? 62.460 -29.888 2.320 1.00 64.15 0 X 1 ATOM 396 C C . ALA . . 65 ? 62.409 -29.191 3.681 1.00 69.09 0 X 1 ATOM 397 O O . ALA . . 65 ? 63.004 -28.090 3.839 1.00 66.70 0 X 1 ATOM 398 C CB . ALA . . 65 ? 61.223 -29.589 1.527 1.00 73.43 0 X 1 ATOM 399 N N . LEU . . 66 ? 61.714 -29.827 4.629 1.00 59.09 0 X 1 ATOM 400 C CA . LEU . . 66 ? 61.611 -29.344 6.023 1.00 66.76 0 X 1 ATOM 401 C C . LEU . . 66 ? 63.016 -29.285 6.634 1.00 72.87 0 X 1 ATOM 402 O O . LEU . . 66 ? 63.357 -28.274 7.281 1.00 82.91 0 X 1 ATOM 403 C CB . LEU . . 66 ? 60.737 -30.334 6.793 1.00 70.48 0 X 1 ATOM 404 C CG . LEU . . 66 ? 59.676 -29.769 7.725 1.00 66.77 0 X 1 ATOM 405 C CD1 . LEU . . 66 ? 59.388 -30.769 8.830 1.00 66.26 0 X 1 ATOM 406 C CD2 . LEU . . 66 ? 60.112 -28.462 8.335 1.00 68.03 0 X 1 ATOM 407 N N . LYS . . 67 ? 63.763 -30.373 6.449 1.00 78.30 0 X 1 ATOM 408 C CA . LYS . . 67 ? 65.100 -30.631 7.045 1.00 77.04 0 X 1 ATOM 409 C C . LYS . . 67 ? 66.088 -29.582 6.535 1.00 78.08 0 X 1 ATOM 410 O O . LYS . . 67 ? 66.874 -29.062 7.352 1.00 71.97 0 X 1 ATOM 411 C CB . LYS . . 67 ? 65.586 -32.034 6.664 1.00 83.84 0 X 1 ATOM 412 C CG . LYS . . 67 ? 65.090 -33.177 7.527 1.00 87.54 0 X 1 ATOM 413 C CD . LYS . . 67 ? 65.820 -34.474 7.250 1.00 92.67 0 X 1 ATOM 414 C CE . LYS . . 67 ? 67.164 -34.577 7.945 1.00 99.47 0 X 1 ATOM 415 N NZ . LYS . . 67 ? 67.580 -35.986 8.174 1.00 106.90 1 X 1 ATOM 416 N N . THR . . 68 ? 66.040 -29.277 5.229 1.00 72.43 0 X 1 ATOM 417 C CA . THR . . 68 ? 66.983 -28.348 4.552 1.00 80.21 0 X 1 ATOM 418 C C . THR . . 68 ? 66.445 -26.920 4.653 1.00 78.30 0 X 1 ATOM 419 O O . THR . . 68 ? 67.261 -25.991 4.621 1.00 83.71 0 X 1 ATOM 420 C CB . THR . . 68 ? 67.159 -28.813 3.098 1.00 92.75 0 X 1 ATOM 421 C CG2 . THR . . 68 ? 65.883 -28.587 2.334 1.00 87.21 0 X 1 ATOM 422 O OG1 . THR . . 68 ? 68.371 -28.560 2.385 1.00 105.99 0 X 1 ATOM 423 N N . GLY . . 69 ? 65.119 -26.755 4.765 1.00 86.69 0 X 1 ATOM 424 C CA . GLY . . 69 ? 64.467 -25.434 4.783 1.00 88.83 0 X 1 ATOM 425 C C . GLY . . 69 ? 64.720 -24.707 3.487 1.00 95.03 0 X 1 ATOM 426 O O . GLY . . 69 ? 64.638 -23.443 3.478 1.00 93.10 0 X 1 ATOM 427 N N . ASN . . 70 ? 65.016 -25.463 2.417 1.00 99.16 0 X 1 ATOM 428 C CA . ASN . . 70 ? 65.242 -24.902 1.059 1.00 94.72 0 X 1 ATOM 429 C C . ASN . . 70 ? 63.944 -24.302 0.548 1.00 76.95 0 X 1 ATOM 430 O O . ASN . . 70 ? 63.020 -24.143 1.331 1.00 96.61 0 X 1 ATOM 431 C CB . ASN . . 70 ? 65.811 -25.945 0.093 1.00 100.50 0 X 1 ATOM 432 C CG . ASN . . 70 ? 67.285 -26.202 0.320 1.00 100.72 0 X 1 ATOM 433 N ND2 . ASN . . 70 ? 67.790 -27.280 -0.263 1.00 102.72 0 X 1 ATOM 434 O OD1 . ASN . . 70 ? 67.959 -25.327 0.879 1.00 94.29 0 X 1 ATOM 435 N N . HIS . . 71 ? 63.938 -23.949 -0.726 1.00 86.42 0 X 1 ATOM 436 C CA . HIS . . 71 ? 62.780 -23.356 -1.442 1.00 87.48 0 X 1 ATOM 437 C C . HIS . . 71 ? 62.344 -24.381 -2.479 1.00 76.79 0 X 1 ATOM 438 O O . HIS . . 71 ? 63.184 -24.798 -3.232 1.00 92.63 0 X 1 ATOM 439 C CB . HIS . . 71 ? 63.196 -22.014 -2.047 1.00 90.67 0 X 1 ATOM 440 C CG . HIS . . 71 ? 62.131 -20.987 -1.962 1.00 92.23 0 X 1 ATOM 441 C CD2 . HIS . . 71 ? 61.109 -20.676 -2.769 1.00 101.98 0 X 1 ATOM 442 N ND1 . HIS . . 71 ? 62.113 -20.047 -0.942 1.00 113.23 0 X 1 ATOM 443 C CE1 . HIS . . 71 ? 61.099 -19.223 -1.119 1.00 102.35 0 X 1 ATOM 444 N NE2 . HIS . . 71 ? 60.459 -19.605 -2.213 1.00 106.58 0 X 1 ATOM 445 N N . VAL . . 72 ? 61.119 -24.860 -2.406 1.00 73.66 0 X 1 ATOM 446 C CA . VAL . . 72 ? 60.649 -26.021 -3.222 1.00 65.81 0 X 1 ATOM 447 C C . VAL . . 72 ? 59.575 -25.524 -4.176 1.00 55.54 0 X 1 ATOM 448 O O . VAL . . 72 ? 58.923 -24.534 -3.870 1.00 63.87 0 X 1 ATOM 449 C CB . VAL . . 72 ? 60.110 -27.171 -2.352 1.00 70.39 0 X 1 ATOM 450 C CG1 . VAL . . 72 ? 61.222 -27.748 -1.489 1.00 73.60 0 X 1 ATOM 451 C CG2 . VAL . . 72 ? 58.935 -26.730 -1.496 1.00 61.44 0 X 1 ATOM 452 N N . ASP . . 73 ? 59.474 -26.184 -5.311 1.00 49.33 0 X 1 ATOM 453 C CA . ASP . . 73 ? 58.345 -26.101 -6.262 1.00 59.12 0 X 1 ATOM 454 C C . ASP . . 73 ? 57.412 -27.260 -5.901 1.00 55.94 0 X 1 ATOM 455 O O . ASP . . 73 ? 57.911 -28.331 -5.471 1.00 47.66 0 X 1 ATOM 456 C CB . ASP . . 73 ? 58.815 -26.152 -7.716 1.00 67.29 0 X 1 ATOM 457 C CG . ASP . . 73 ? 59.786 -25.029 -8.074 1.00 75.45 0 X 1 ATOM 458 O OD1 . ASP . . 73 ? 59.535 -23.863 -7.650 1.00 86.43 0 X 1 ATOM 459 O OD2 . ASP . . 73 ? 60.821 -25.336 -8.734 1.00 62.10 -1 X 1 ATOM 460 N N . PHE . . 74 ? 56.114 -26.999 -5.989 1.00 40.45 0 X 1 ATOM 461 C CA . PHE . . 74 ? 55.061 -27.947 -5.572 1.00 43.25 0 X 1 ATOM 462 C C . PHE . . 74 ? 53.861 -27.652 -6.454 1.00 48.85 0 X 1 ATOM 463 O O . PHE . . 74 ? 53.736 -26.513 -6.958 1.00 51.96 0 X 1 ATOM 464 C CB . PHE . . 74 ? 54.767 -27.851 -4.061 1.00 49.21 0 X 1 ATOM 465 C CG . PHE . . 74 ? 54.106 -26.567 -3.619 1.00 47.95 0 X 1 ATOM 466 C CD1 . PHE . . 74 ? 54.857 -25.437 -3.354 1.00 49.47 0 X 1 ATOM 467 C CD2 . PHE . . 74 ? 52.713 -26.469 -3.519 1.00 42.17 0 X 1 ATOM 468 C CE1 . PHE . . 74 ? 54.233 -24.241 -2.999 1.00 42.86 0 X 1 ATOM 469 C CE2 . PHE . . 74 ? 52.111 -25.278 -3.161 1.00 39.78 0 X 1 ATOM 470 C CZ . PHE . . 74 ? 52.867 -24.152 -2.914 1.00 38.34 0 X 1 ATOM 471 N N . SER . . 75 ? 53.059 -28.683 -6.664 1.00 48.36 0 X 1 ATOM 472 C CA . SER . . 75 ? 51.853 -28.651 -7.512 1.00 57.49 0 X 1 ATOM 473 C C . SER . . 75 ? 50.717 -29.244 -6.681 1.00 60.28 0 X 1 ATOM 474 O O . SER . . 75 ? 50.990 -30.162 -5.876 1.00 52.17 0 X 1 ATOM 475 C CB . SER . . 75 ? 52.047 -29.411 -8.793 1.00 59.30 0 X 1 ATOM 476 O OG . SER . . 75 ? 52.114 -28.555 -9.898 1.00 71.25 0 X 1 ATOM 477 N N . PHE . . 76 ? 49.507 -28.734 -6.889 1.00 46.38 0 X 1 ATOM 478 C CA . PHE . . 76 ? 48.311 -29.215 -6.174 1.00 51.99 0 X 1 ATOM 479 C C . PHE . . 76 ? 47.068 -29.003 -7.023 1.00 52.55 0 X 1 ATOM 480 O O . PHE . . 76 ? 47.064 -28.171 -7.955 1.00 53.26 0 X 1 ATOM 481 C CB . PHE . . 76 ? 48.178 -28.489 -4.840 1.00 49.44 0 X 1 ATOM 482 C CG . PHE . . 76 ? 47.968 -27.000 -4.948 1.00 45.06 0 X 1 ATOM 483 C CD1 . PHE . . 76 ? 49.037 -26.143 -5.183 1.00 38.40 0 X 1 ATOM 484 C CD2 . PHE . . 76 ? 46.698 -26.452 -4.808 1.00 47.53 0 X 1 ATOM 485 C CE1 . PHE . . 76 ? 48.854 -24.781 -5.277 1.00 34.23 0 X 1 ATOM 486 C CE2 . PHE . . 76 ? 46.514 -25.079 -4.895 1.00 38.34 0 X 1 ATOM 487 C CZ . PHE . . 76 ? 47.589 -24.254 -5.141 1.00 40.48 0 X 1 ATOM 488 N N . ILE . . 77 ? 46.045 -29.769 -6.677 1.00 55.74 0 X 1 ATOM 489 C CA . ILE . . 77 ? 44.646 -29.682 -7.191 1.00 48.97 0 X 1 ATOM 490 C C . ILE . . 77 ? 43.801 -29.179 -6.014 1.00 48.52 0 X 1 ATOM 491 O O . ILE . . 77 ? 44.032 -29.618 -4.901 1.00 59.69 0 X 1 ATOM 492 C CB . ILE . . 77 ? 44.195 -31.069 -7.714 1.00 65.50 0 X 1 ATOM 493 C CG1 . ILE . . 77 ? 43.948 -31.099 -9.216 1.00 75.64 0 X 1 ATOM 494 C CG2 . ILE . . 77 ? 42.915 -31.516 -7.075 1.00 71.55 0 X 1 ATOM 495 C CD1 . ILE . . 77 ? 45.132 -30.781 -10.002 1.00 89.81 0 X 1 ATOM 496 N N . GLN . . 78 ? 42.812 -28.342 -6.284 1.00 53.29 0 X 1 ATOM 497 C CA . GLN . . 78 ? 41.752 -27.936 -5.325 1.00 51.59 0 X 1 ATOM 498 C C . GLN . . 78 ? 40.615 -28.967 -5.369 1.00 48.95 0 X 1 ATOM 499 O O . GLN . . 78 ? 40.118 -29.190 -6.435 1.00 55.78 0 X 1 ATOM 500 C CB . GLN . . 78 ? 41.263 -26.535 -5.662 1.00 61.39 0 X 1 ATOM 501 C CG . GLN . . 78 ? 42.407 -25.534 -5.828 1.00 65.62 0 X 1 ATOM 502 C CD . GLN . . 78 ? 41.882 -24.190 -6.207 1.00 68.90 0 X 1 ATOM 503 N NE2 . GLN . . 78 ? 41.682 -23.982 -7.495 1.00 58.25 0 X 1 ATOM 504 O OE1 . GLN . . 78 ? 41.611 -23.374 -5.337 1.00 88.85 0 X 1 ATOM 505 N N . GLN . . 79 ? 40.243 -29.557 -4.239 1.00 52.79 0 X 1 ATOM 506 C CA . GLN . . 79 ? 39.160 -30.564 -4.109 1.00 63.94 0 X 1 ATOM 507 C C . GLN . . 79 ? 38.309 -30.225 -2.888 1.00 66.88 0 X 1 ATOM 508 O O . GLN . . 79 ? 38.488 -30.830 -1.836 1.00 72.79 0 X 1 ATOM 509 C CB . GLN . . 79 ? 39.757 -31.960 -4.004 1.00 82.38 0 X 1 ATOM 510 C CG . GLN . . 79 ? 40.291 -32.424 -5.342 1.00 88.43 0 X 1 ATOM 511 C CD . GLN . . 79 ? 40.250 -33.930 -5.514 1.00 96.93 0 X 1 ATOM 512 N NE2 . GLN . . 79 ? 40.762 -34.374 -6.651 1.00 112.70 0 X 1 ATOM 513 O OE1 . GLN . . 79 ? 39.789 -34.697 -4.669 1.00 98.97 0 X 1 ATOM 514 N N . GLY . . 80 ? 37.409 -29.251 -3.053 1.00 71.09 0 X 1 ATOM 515 C CA . GLY . . 80 ? 36.621 -28.685 -1.945 1.00 59.43 0 X 1 ATOM 516 C C . GLY . . 80 ? 37.504 -27.823 -1.064 1.00 59.07 0 X 1 ATOM 517 O O . GLY . . 80 ? 38.238 -26.989 -1.609 1.00 72.04 0 X 1 ATOM 518 N N . ASN . . 81 ? 37.444 -28.034 0.252 1.00 56.66 0 X 1 ATOM 519 C CA . ASN . . 81 ? 38.268 -27.289 1.251 1.00 58.43 0 X 1 ATOM 520 C C . ASN . . 81 ? 39.733 -27.716 1.140 1.00 47.34 0 X 1 ATOM 521 O O . ASN . . 81 ? 40.571 -27.040 1.681 1.00 55.16 0 X 1 ATOM 522 C CB . ASN . . 81 ? 37.772 -27.437 2.691 1.00 50.45 0 X 1 ATOM 523 C CG . ASN . . 81 ? 37.438 -28.858 3.102 1.00 54.41 0 X 1 ATOM 524 N ND2 . ASN . . 81 ? 38.528 -29.558 3.304 1.00 54.62 0 X 1 ATOM 525 O OD1 . ASN . . 81 ? 36.313 -29.294 3.416 1.00 66.12 0 X 1 ATOM 526 N N . ILE . . 82 ? 39.983 -28.837 0.490 1.00 53.30 0 X 1 ATOM 527 C CA . ILE . . 82 ? 41.321 -29.501 0.457 1.00 51.88 0 X 1 ATOM 528 C C . ILE . . 82 ? 42.097 -29.052 -0.777 1.00 53.77 0 X 1 ATOM 529 O O . ILE . . 82 ? 41.547 -29.019 -1.876 1.00 53.19 0 X 1 ATOM 530 C CB . ILE . . 82 ? 41.132 -31.023 0.460 1.00 62.01 0 X 1 ATOM 531 C CG1 . ILE . . 82 ? 40.878 -31.504 1.878 1.00 77.10 0 X 1 ATOM 532 C CG2 . ILE . . 82 ? 42.293 -31.723 -0.227 1.00 61.85 0 X 1 ATOM 533 C CD1 . ILE . . 82 ? 41.103 -32.962 2.058 1.00 87.70 0 X 1 ATOM 534 N N . SER . . 83 ? 43.353 -28.715 -0.548 1.00 52.65 0 X 1 ATOM 535 C CA . SER . . 83 ? 44.393 -28.542 -1.585 1.00 52.05 0 X 1 ATOM 536 C C . SER . . 83 ? 45.273 -29.791 -1.583 1.00 49.78 0 X 1 ATOM 537 O O . SER . . 83 ? 46.078 -29.942 -0.667 1.00 45.91 0 X 1 ATOM 538 C CB . SER . . 83 ? 45.152 -27.308 -1.281 1.00 54.50 0 X 1 ATOM 539 O OG . SER . . 83 ? 44.225 -26.224 -1.242 1.00 56.91 0 X 1 ATOM 540 N N . LEU . . 84 ? 45.016 -30.720 -2.509 1.00 52.64 0 X 1 ATOM 541 C CA . LEU . . 84 ? 45.695 -32.036 -2.607 1.00 58.04 0 X 1 ATOM 542 C C . LEU . . 84 ? 47.043 -31.827 -3.282 1.00 57.97 0 X 1 ATOM 543 O O . LEU . . 84 ? 47.050 -31.493 -4.488 1.00 65.37 0 X 1 ATOM 544 C CB . LEU . . 84 ? 44.817 -32.966 -3.443 1.00 54.55 0 X 1 ATOM 545 C CG . LEU . . 84 ? 45.217 -34.413 -3.645 1.00 61.21 0 X 1 ATOM 546 C CD1 . LEU . . 84 ? 45.447 -35.101 -2.311 1.00 58.26 0 X 1 ATOM 547 C CD2 . LEU . . 84 ? 44.124 -35.095 -4.469 1.00 60.08 0 X 1 ATOM 548 N N . LEU . . 85 ? 48.131 -32.067 -2.556 1.00 54.65 0 X 1 ATOM 549 C CA . LEU . . 85 ? 49.487 -32.071 -3.165 1.00 58.28 0 X 1 ATOM 550 C C . LEU . . 85 ? 49.565 -33.147 -4.255 1.00 62.07 0 X 1 ATOM 551 O O . LEU . . 85 ? 49.179 -34.286 -3.969 1.00 62.14 0 X 1 ATOM 552 C CB . LEU . . 85 ? 50.525 -32.381 -2.093 1.00 53.01 0 X 1 ATOM 553 C CG . LEU . . 85 ? 51.184 -31.152 -1.482 1.00 59.02 0 X 1 ATOM 554 C CD1 . LEU . . 85 ? 52.218 -31.596 -0.459 1.00 63.16 0 X 1 ATOM 555 C CD2 . LEU . . 85 ? 51.840 -30.290 -2.569 1.00 51.33 0 X 1 ATOM 556 N N . LYS . . 86 ? 50.066 -32.790 -5.440 1.00 60.93 0 X 1 ATOM 557 C CA . LYS . . 86 ? 50.352 -33.733 -6.541 1.00 68.77 0 X 1 ATOM 558 C C . LYS . . 86 ? 51.841 -34.067 -6.542 1.00 69.24 0 X 1 ATOM 559 O O . LYS . . 86 ? 52.177 -35.247 -6.756 1.00 85.30 0 X 1 ATOM 560 C CB . LYS . . 86 ? 49.863 -33.138 -7.865 1.00 79.23 0 X 1 ATOM 561 C CG . LYS . . 86 ? 48.346 -33.230 -8.027 1.00 82.99 0 X 1 ATOM 562 C CD . LYS . . 86 ? 47.834 -34.648 -8.040 1.00 84.11 0 X 1 ATOM 563 C CE . LYS . . 86 ? 46.445 -34.798 -7.460 1.00 95.72 0 X 1 ATOM 564 N NZ . LYS . . 86 ? 46.015 -36.216 -7.492 1.00 97.36 1 X 1 ATOM 565 N N . SER . . 87 ? 52.684 -33.066 -6.289 1.00 63.36 0 X 1 ATOM 566 C CA . SER . . 87 ? 54.157 -33.187 -6.345 1.00 56.76 0 X 1 ATOM 567 C C . SER . . 87 ? 54.807 -32.067 -5.543 1.00 57.18 0 X 1 ATOM 568 O O . SER . . 87 ? 54.190 -30.989 -5.414 1.00 67.49 0 X 1 ATOM 569 C CB . SER . . 87 ? 54.644 -33.151 -7.754 1.00 58.76 0 X 1 ATOM 570 O OG . SER . . 87 ? 54.857 -31.811 -8.178 1.00 52.23 0 X 1 ATOM 571 N N . ILE . . 88 ? 56.038 -32.302 -5.105 1.00 63.84 0 X 1 ATOM 572 C CA . ILE . . 88 ? 56.907 -31.306 -4.434 1.00 66.60 0 X 1 ATOM 573 C C . ILE . . 88 ? 58.366 -31.673 -4.711 1.00 63.79 0 X 1 ATOM 574 O O . ILE . . 88 ? 58.738 -32.808 -4.436 1.00 65.40 0 X 1 ATOM 575 C CB . ILE . . 88 ? 56.569 -31.271 -2.925 1.00 76.12 0 X 1 ATOM 576 C CG1 . ILE . . 88 ? 57.553 -30.423 -2.126 1.00 73.33 0 X 1 ATOM 577 C CG2 . ILE . . 88 ? 56.434 -32.670 -2.336 1.00 85.74 0 X 1 ATOM 578 C CD1 . ILE . . 88 ? 56.898 -29.908 -0.878 1.00 91.60 0 X 1 ATOM 579 N N . ASN . . 89 ? 59.151 -30.740 -5.246 1.00 68.46 0 X 1 ATOM 580 C CA . ASN . . 89 ? 60.537 -30.986 -5.730 1.00 82.09 0 X 1 ATOM 581 C C . ASN . . 89 ? 61.471 -29.960 -5.109 1.00 77.89 0 X 1 ATOM 582 O O . ASN . . 89 ? 61.173 -28.748 -5.218 1.00 78.92 0 X 1 ATOM 583 C CB . ASN . . 89 ? 60.672 -30.902 -7.255 1.00 81.09 0 X 1 ATOM 584 C CG . ASN . . 89 ? 59.814 -31.915 -7.960 1.00 92.71 0 X 1 ATOM 585 N ND2 . ASN . . 89 ? 58.797 -31.429 -8.647 1.00 94.46 0 X 1 ATOM 586 O OD1 . ASN . . 89 ? 60.077 -33.119 -7.917 1.00 107.01 0 X 1 ATOM 587 N N . VAL . . 90 ? 62.596 -30.426 -4.562 1.00 84.77 0 X 1 ATOM 588 C CA . VAL . . 90 ? 63.607 -29.593 -3.852 1.00 99.79 0 X 1 ATOM 589 C C . VAL . . 90 ? 64.446 -28.830 -4.895 1.00 101.74 0 X 1 ATOM 590 O O . VAL . . 90 ? 65.068 -29.499 -5.757 1.00 113.67 0 X 1 ATOM 591 C CB . VAL . . 90 ? 64.508 -30.462 -2.943 1.00 102.99 0 X 1 ATOM 592 C CG1 . VAL . . 90 ? 65.182 -29.619 -1.856 1.00 104.40 0 X 1 ATOM 593 C CG2 . VAL . . 90 ? 63.758 -31.639 -2.330 1.00 107.58 0 X 1 ATOM 594 N N . THR . . 91 ? 64.492 -27.499 -4.789 1.00 97.68 0 X 1 ATOM 595 C CA . THR . . 91 ? 65.288 -26.588 -5.662 1.00 107.08 0 X 1 ATOM 596 C C . THR . . 91 ? 66.568 -26.148 -4.928 1.00 104.18 0 X 1 ATOM 597 O O . THR . . 91 ? 67.698 -26.589 -5.120 1.00 119.11 0 X 1 ATOM 598 C CB . THR . . 91 ? 64.460 -25.335 -5.998 1.00 103.62 0 X 1 ATOM 599 C CG2 . THR . . 91 ? 65.261 -24.254 -6.692 1.00 98.82 0 X 1 ATOM 600 O OG1 . THR . . 91 ? 63.318 -25.626 -6.811 1.00 105.27 0 X 1 If you find results from this site helpful for your research, please cite one of our papers:
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