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*** test1 ***elNémo ID: 220127100046143164Job options:ID = 220127100046143164 JOBID = test1 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 test1 # generated by PyMOL 2.5.0 # data_3p6h _entry.id 3p6h # _cell.entry_id 3p6h _cell.length_a 32.328 _cell.length_b 53.380 _cell.length_c 75.031 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _symmetry.entry_id 3p6h _symmetry.space_group_name_H-M 'P 21 21 21' # 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 . MET . . 0 ? 12.793 16.822 -2.358 1.00 19.93 0 A 1 ATOM 2 C CA . MET . . 0 ? 13.357 15.551 -1.916 1.00 19.62 0 A 1 ATOM 3 C C . MET . . 0 ? 12.413 14.895 -0.874 1.00 18.50 0 A 1 ATOM 4 O O . MET . . 0 ? 12.284 13.672 -0.863 1.00 19.52 0 A 1 ATOM 5 C CB . MET . . 0 ? 14.754 15.853 -1.353 1.00 20.57 0 A 1 ATOM 6 C CG . MET . . 0 ? 15.792 14.735 -1.353 1.00 23.92 0 A 1 ATOM 7 S SD . MET . . 0 ? 16.601 14.484 0.260 1.00 34.06 0 A 1 ATOM 8 C CE . MET . . 0 ? 14.984 14.177 0.907 1.00 17.54 0 A 1 ATOM 9 N N A CYS . . 1 ? 11.764 15.742 -0.070 0.50 19.14 0 A 1 ATOM 10 N N B CYS . . 1 ? 11.742 15.679 -0.031 0.50 18.03 0 A 1 ATOM 11 C CA A CYS . . 1 ? 10.780 15.337 0.962 0.50 19.93 0 A 1 ATOM 12 C CA B CYS . . 1 ? 10.810 15.080 0.978 0.50 17.95 0 A 1 ATOM 13 C C A CYS . . 1 ? 9.584 14.504 0.417 0.50 18.24 0 A 1 ATOM 14 C C B CYS . . 1 ? 9.572 14.405 0.398 0.50 16.84 0 A 1 ATOM 15 O O A CYS . . 1 ? 8.893 13.799 1.176 0.50 17.83 0 A 1 ATOM 16 O O B CYS . . 1 ? 8.807 13.730 1.113 0.50 15.97 0 A 1 ATOM 17 C CB A CYS . . 1 ? 10.309 16.612 1.703 0.50 21.22 0 A 1 ATOM 18 C CB B CYS . . 1 ? 10.356 16.117 1.984 0.50 18.45 0 A 1 ATOM 19 S SG A CYS . . 1 ? 10.132 16.465 3.549 0.50 28.50 0 A 1 ATOM 20 S SG B CYS . . 1 ? 11.671 16.735 2.968 0.50 23.37 0 A 1 ATOM 21 N N . ASP . . 2 ? 9.357 14.563 -0.891 1.00 17.06 0 A 1 ATOM 22 C CA . ASP . . 2 ? 8.322 13.780 -1.544 1.00 17.98 0 A 1 ATOM 23 C C . ASP . . 2 ? 8.510 12.268 -1.380 1.00 16.97 0 A 1 ATOM 24 O O . ASP . . 2 ? 7.548 11.561 -1.445 1.00 17.09 0 A 1 ATOM 25 C CB . ASP . . 2 ? 8.160 14.178 -3.004 1.00 19.37 0 A 1 ATOM 26 C CG . ASP . . 2 ? 7.612 15.593 -3.186 1.00 21.56 0 A 1 ATOM 27 O OD1 . ASP . . 2 ? 6.954 16.172 -2.281 1.00 27.62 0 A 1 ATOM 28 O OD2 . ASP . . 2 ? 7.901 16.149 -4.238 1.00 25.90 -1 A 1 ATOM 29 N N . ALA . . 3 ? 9.725 11.793 -1.113 1.00 15.87 0 A 1 ATOM 30 C CA . ALA . . 3 ? 9.971 10.392 -0.845 1.00 16.62 0 A 1 ATOM 31 C C . ALA . . 3 ? 9.228 9.902 0.391 1.00 14.50 0 A 1 ATOM 32 O O . ALA . . 3 ? 9.011 8.692 0.535 1.00 13.67 0 A 1 ATOM 33 C CB . ALA . . 3 ? 11.433 10.105 -0.666 1.00 18.46 0 A 1 ATOM 34 N N . PHE . . 4 ? 8.927 10.812 1.310 1.00 11.42 0 A 1 ATOM 35 C CA . PHE . . 4 ? 8.191 10.478 2.537 1.00 10.62 0 A 1 ATOM 36 C C . PHE . . 4 ? 6.690 10.526 2.391 1.00 9.73 0 A 1 ATOM 37 O O . PHE . . 4 ? 5.974 9.950 3.181 1.00 11.47 0 A 1 ATOM 38 C CB . PHE . . 4 ? 8.585 11.435 3.644 1.00 11.14 0 A 1 ATOM 39 C CG . PHE . . 4 ? 10.024 11.274 4.087 1.00 12.02 0 A 1 ATOM 40 C CD1 . PHE . . 4 ? 10.429 10.201 4.913 1.00 12.92 0 A 1 ATOM 41 C CD2 . PHE . . 4 ? 11.017 12.199 3.748 1.00 13.76 0 A 1 ATOM 42 C CE1 . PHE . . 4 ? 11.721 10.061 5.332 1.00 15.00 0 A 1 ATOM 43 C CE2 . PHE . . 4 ? 12.346 12.014 4.160 1.00 13.60 0 A 1 ATOM 44 C CZ . PHE . . 4 ? 12.673 10.959 4.959 1.00 13.58 0 A 1 ATOM 45 N N . VAL . . 5 ? 6.192 11.234 1.387 1.00 10.11 0 A 1 ATOM 46 C CA . VAL . . 5 ? 4.786 11.513 1.302 1.00 11.18 0 A 1 ATOM 47 C C . VAL . . 5 ? 4.039 10.254 0.987 1.00 11.88 0 A 1 ATOM 48 O O . VAL . . 5 ? 4.420 9.452 0.130 1.00 14.03 0 A 1 ATOM 49 C CB . VAL . . 5 ? 4.475 12.601 0.242 1.00 12.35 0 A 1 ATOM 50 C CG1 . VAL . . 5 ? 3.001 12.692 -0.169 1.00 15.93 0 A 1 ATOM 51 C CG2 . VAL . . 5 ? 5.071 13.959 0.802 1.00 13.01 0 A 1 ATOM 52 N N . GLY . . 6 ? 2.916 10.089 1.672 1.00 10.94 0 A 1 ATOM 53 C CA . GLY . . 6 ? 2.070 8.993 1.421 1.00 11.13 0 A 1 ATOM 54 C C . GLY . . 6 ? 1.393 8.479 2.678 1.00 10.57 0 A 1 ATOM 55 O O . GLY . . 6 ? 1.335 9.152 3.689 1.00 11.95 0 A 1 ATOM 56 N N . THR . . 7 ? 0.918 7.265 2.578 1.00 11.03 0 A 1 ATOM 57 C CA . THR . . 7 ? 0.150 6.593 3.640 1.00 11.36 0 A 1 ATOM 58 C C . THR . . 7 ? 0.946 5.319 4.002 1.00 11.19 0 A 1 ATOM 59 O O . THR . . 7 ? 1.151 4.462 3.141 1.00 12.20 0 A 1 ATOM 60 C CB . THR . . 7 ? -1.228 6.245 3.189 1.00 12.31 0 A 1 ATOM 61 C CG2 . THR . . 7 ? -2.110 5.792 4.365 1.00 15.54 0 A 1 ATOM 62 O OG1 . THR . . 7 ? -1.839 7.380 2.568 1.00 17.59 0 A 1 ATOM 63 N N . TRP . . 8 ? 1.306 5.184 5.268 1.00 9.72 0 A 1 ATOM 64 C CA . TRP . . 8 ? 2.203 4.159 5.751 1.00 9.14 0 A 1 ATOM 65 C C . TRP . . 8 ? 1.515 3.415 6.866 1.00 10.62 0 A 1 ATOM 66 O O . TRP . . 8 ? 0.752 3.992 7.644 1.00 14.12 0 A 1 ATOM 67 C CB . TRP . . 8 ? 3.457 4.811 6.266 1.00 9.88 0 A 1 ATOM 68 C CG . TRP . . 8 ? 4.206 5.641 5.276 1.00 9.18 0 A 1 ATOM 69 C CD1 . TRP . . 8 ? 4.070 6.996 5.017 1.00 9.93 0 A 1 ATOM 70 C CD2 . TRP . . 8 ? 5.173 5.161 4.337 1.00 8.70 0 A 1 ATOM 71 C CE2 . TRP . . 8 ? 5.649 6.250 3.589 1.00 9.49 0 A 1 ATOM 72 C CE3 . TRP . . 8 ? 5.737 3.910 4.091 1.00 10.90 0 A 1 ATOM 73 N NE1 . TRP . . 8 ? 4.964 7.341 4.042 1.00 9.30 0 A 1 ATOM 74 C CZ2 . TRP . . 8 ? 6.633 6.111 2.612 1.00 11.42 0 A 1 ATOM 75 C CZ3 . TRP . . 8 ? 6.705 3.770 3.134 1.00 10.00 0 A 1 ATOM 76 C CH2 . TRP . . 8 ? 7.154 4.867 2.398 1.00 12.06 0 A 1 ATOM 77 N N . LYS . . 9 ? 1.868 2.143 7.014 1.00 10.14 0 A 1 ATOM 78 C CA . LYS . . 9 ? 1.320 1.296 8.108 1.00 10.15 0 A 1 ATOM 79 C C . LYS . . 9 ? 2.499 0.635 8.847 1.00 9.84 0 A 1 ATOM 80 O O . LYS . . 9 ? 3.417 0.144 8.261 1.00 10.69 0 A 1 ATOM 81 C CB . LYS . . 9 ? 0.308 0.324 7.554 1.00 12.65 0 A 1 ATOM 82 C CG . LYS . . 9 ? 0.836 -0.624 6.614 1.00 19.05 0 A 1 ATOM 83 C CD . LYS . . 9 ? -0.134 -1.697 6.212 1.00 25.39 0 A 1 ATOM 84 C CE . LYS . . 9 ? 0.562 -2.668 5.247 1.00 27.15 0 A 1 ATOM 85 N NZ . LYS . . 9 ? 0.302 -2.306 3.809 1.00 33.04 1 A 1 ATOM 86 N N . LEU . . 10 ? 2.407 0.597 10.176 1.00 11.00 0 A 1 ATOM 87 C CA . LEU . . 10 ? 3.458 -0.022 10.979 1.00 10.74 0 A 1 ATOM 88 C C . LEU . . 10 ? 3.411 -1.542 10.747 1.00 11.42 0 A 1 ATOM 89 O O . LEU . . 10 ? 2.332 -2.166 10.962 1.00 14.83 0 A 1 ATOM 90 C CB . LEU . . 10 ? 3.210 0.226 12.483 1.00 12.57 0 A 1 ATOM 91 C CG . LEU . . 10 ? 4.328 -0.221 13.395 1.00 11.67 0 A 1 ATOM 92 C CD1 . LEU . . 10 ? 5.569 0.474 13.243 1.00 12.30 0 A 1 ATOM 93 C CD2 . LEU . . 10 ? 3.853 -0.156 14.861 1.00 16.79 0 A 1 ATOM 94 N N . VAL . . 11 ? 4.568 -2.108 10.453 1.00 11.16 0 A 1 ATOM 95 C CA . VAL . . 11 ? 4.668 -3.548 10.279 1.00 14.52 0 A 1 ATOM 96 C C . VAL . . 11 ? 5.585 -4.259 11.258 1.00 15.60 0 A 1 ATOM 97 O O . VAL . . 11 ? 5.422 -5.465 11.447 1.00 18.47 0 A 1 ATOM 98 C CB . VAL . . 11 ? 5.031 -3.942 8.857 1.00 15.84 0 A 1 ATOM 99 C CG1 . VAL . . 11 ? 3.883 -3.528 7.929 1.00 18.01 0 A 1 ATOM 100 C CG2 . VAL . . 11 ? 6.428 -3.478 8.409 1.00 17.26 0 A 1 ATOM 101 N N . SER . . 12 ? 6.508 -3.537 11.900 1.00 13.61 0 A 1 ATOM 102 C CA . SER . . 12 ? 7.379 -4.143 12.907 1.00 14.20 0 A 1 ATOM 103 C C . SER . . 12 ? 7.877 -3.122 13.859 1.00 13.01 0 A 1 ATOM 104 O O . SER . . 12 ? 8.041 -1.960 13.510 1.00 12.29 0 A 1 ATOM 105 C CB . SER . . 12 ? 8.506 -4.911 12.297 1.00 16.30 0 A 1 ATOM 106 O OG . SER . . 12 ? 9.449 -4.095 11.726 1.00 18.77 0 A 1 ATOM 107 N N . SER . . 13 ? 8.174 -3.578 15.056 1.00 14.13 0 A 1 ATOM 108 C CA . SER . . 13 ? 8.705 -2.752 16.098 1.00 14.31 0 A 1 ATOM 109 C C . SER . . 13 ? 9.667 -3.579 16.934 1.00 14.12 0 A 1 ATOM 110 O O . SER . . 13 ? 9.378 -4.728 17.260 1.00 17.31 0 A 1 ATOM 111 C CB . SER . . 13 ? 7.527 -2.223 16.920 1.00 16.64 0 A 1 ATOM 112 O OG . SER . . 13 ? 7.907 -1.353 17.952 1.00 17.18 0 A 1 ATOM 113 N N . GLU . . 14 ? 10.767 -2.968 17.300 1.00 12.48 0 A 1 ATOM 114 C CA . GLU . . 14 ? 11.786 -3.561 18.172 1.00 12.08 0 A 1 ATOM 115 C C . GLU . . 14 ? 12.155 -2.593 19.275 1.00 11.84 0 A 1 ATOM 116 O O . GLU . . 14 ? 12.445 -1.436 19.005 1.00 11.54 0 A 1 ATOM 117 C CB . GLU . . 14 ? 13.054 -3.925 17.387 1.00 14.14 0 A 1 ATOM 118 C CG . GLU . . 14 ? 12.818 -5.092 16.408 1.00 21.74 0 A 1 ATOM 119 C CD . GLU . . 14 ? 12.837 -6.471 17.091 1.00 26.80 0 A 1 ATOM 120 O OE1 . GLU . . 14 ? 13.090 -6.551 18.306 1.00 30.29 0 A 1 ATOM 121 O OE2 . GLU . . 14 ? 12.573 -7.492 16.417 1.00 32.03 -1 A 1 ATOM 122 N N . ASN . . 15 ? 12.160 -3.080 20.492 1.00 10.57 0 A 1 ATOM 123 C CA . ASN . . 15 ? 12.627 -2.349 21.663 1.00 10.47 0 A 1 ATOM 124 C C . ASN . . 15 ? 11.798 -1.117 22.032 1.00 10.24 0 A 1 ATOM 125 O O . ASN . . 15 ? 12.248 -0.253 22.758 1.00 10.68 0 A 1 ATOM 126 C CB A ASN . . 15 ? 14.109 -1.961 21.540 0.50 10.98 0 A 1 ATOM 127 C CB B ASN . . 15 ? 14.093 -1.982 21.519 0.50 11.62 0 A 1 ATOM 128 C CG A ASN . . 15 ? 14.834 -1.962 22.883 0.50 9.16 0 A 1 ATOM 129 C CG B ASN . . 15 ? 14.930 -3.184 21.333 0.50 12.94 0 A 1 ATOM 130 N ND2 A ASN . . 15 ? 15.682 -0.974 23.101 0.50 10.36 0 A 1 ATOM 131 N ND2 B ASN . . 15 ? 15.434 -3.391 20.148 0.50 18.01 0 A 1 ATOM 132 O OD1 A ASN . . 15 ? 14.692 -2.899 23.682 0.50 11.64 0 A 1 ATOM 133 O OD1 B ASN . . 15 ? 15.026 -3.990 22.238 0.50 17.58 0 A 1 ATOM 134 N N . PHE . . 16 ? 10.565 -1.017 21.558 1.00 10.27 0 A 1 ATOM 135 C CA . PHE . . 16 ? 9.722 0.161 21.782 1.00 10.78 0 A 1 ATOM 136 C C . PHE . . 16 ? 9.325 0.280 23.230 1.00 10.03 0 A 1 ATOM 137 O O . PHE . . 16 ? 9.283 1.411 23.769 1.00 10.08 0 A 1 ATOM 138 C CB . PHE . . 16 ? 8.511 0.216 20.846 1.00 10.59 0 A 1 ATOM 139 C CG . PHE . . 16 ? 7.810 1.573 20.781 1.00 9.67 0 A 1 ATOM 140 C CD1 . PHE . . 16 ? 8.509 2.695 20.380 1.00 12.68 0 A 1 ATOM 141 C CD2 . PHE . . 16 ? 6.527 1.686 21.050 1.00 11.02 0 A 1 ATOM 142 C CE1 . PHE . . 16 ? 7.859 3.893 20.238 1.00 15.03 0 A 1 ATOM 143 C CE2 . PHE . . 16 ? 5.862 2.941 20.928 1.00 12.53 0 A 1 ATOM 144 C CZ . PHE . . 16 ? 6.593 4.019 20.523 1.00 14.01 0 A 1 ATOM 145 N N . ASP . . 17 ? 9.084 -0.834 23.927 1.00 10.99 0 A 1 ATOM 146 C CA . ASP . . 17 ? 8.706 -0.715 25.348 1.00 12.61 0 A 1 ATOM 147 C C . ASP . . 17 ? 9.905 -0.108 26.158 1.00 11.54 0 A 1 ATOM 148 O O . ASP . . 17 ? 9.758 0.773 26.999 1.00 11.78 0 A 1 ATOM 149 C CB . ASP . . 17 ? 8.332 -2.078 25.918 1.00 13.92 0 A 1 ATOM 150 C CG . ASP . . 17 ? 7.829 -1.978 27.322 1.00 15.99 0 A 1 ATOM 151 O OD1 . ASP . . 17 ? 8.469 -2.518 28.203 1.00 22.25 0 A 1 ATOM 152 O OD2 . ASP . . 17 ? 6.798 -1.349 27.565 1.00 18.77 -1 A 1 ATOM 153 N N . ASP . . 18 ? 11.104 -0.580 25.892 1.00 10.98 0 A 1 ATOM 154 C CA . ASP . . 18 ? 12.346 -0.086 26.518 1.00 11.79 0 A 1 ATOM 155 C C . ASP . . 18 ? 12.550 1.404 26.173 1.00 11.81 0 A 1 ATOM 156 O O . ASP . . 18 ? 12.943 2.179 27.049 1.00 10.93 0 A 1 ATOM 157 C CB . ASP . . 18 ? 13.591 -0.918 26.173 1.00 14.49 0 A 1 ATOM 158 C CG . ASP . . 18 ? 13.633 -2.297 26.941 1.00 22.54 0 A 1 ATOM 159 O OD1 . ASP . . 18 ? 12.853 -2.488 27.872 1.00 29.87 0 A 1 ATOM 160 O OD2 . ASP . . 18 ? 14.464 -3.127 26.632 1.00 30.59 -1 A 1 ATOM 161 N N . TYR . . 19 ? 12.257 1.824 24.936 1.00 10.45 0 A 1 ATOM 162 C CA . TYR . . 19 ? 12.381 3.250 24.604 1.00 9.35 0 A 1 ATOM 163 C C . TYR . . 19 ? 11.418 4.085 25.427 1.00 8.29 0 A 1 ATOM 164 O O . TYR . . 19 ? 11.746 5.107 26.014 1.00 10.13 0 A 1 ATOM 165 C CB . TYR . . 19 ? 12.116 3.413 23.084 1.00 10.58 0 A 1 ATOM 166 C CG . TYR . . 19 ? 11.910 4.885 22.697 1.00 8.43 0 A 1 ATOM 167 C CD1 . TYR . . 19 ? 12.968 5.727 22.597 1.00 8.70 0 A 1 ATOM 168 C CD2 . TYR . . 19 ? 10.639 5.340 22.446 1.00 9.78 0 A 1 ATOM 169 C CE1 . TYR . . 19 ? 12.757 7.077 22.285 1.00 8.66 0 A 1 ATOM 170 C CE2 . TYR . . 19 ? 10.409 6.715 22.148 1.00 9.60 0 A 1 ATOM 171 C CZ . TYR . . 19 ? 11.490 7.546 22.077 1.00 9.10 0 A 1 ATOM 172 O OH . TYR . . 19 ? 11.246 8.876 21.753 1.00 11.55 0 A 1 ATOM 173 N N . MET . . 20 ? 10.199 3.632 25.478 1.00 7.92 0 A 1 ATOM 174 C CA . MET . . 20 ? 9.144 4.299 26.224 1.00 9.36 0 A 1 ATOM 175 C C . MET . . 20 ? 9.490 4.348 27.718 1.00 10.21 0 A 1 ATOM 176 O O . MET . . 20 ? 9.268 5.390 28.364 1.00 11.42 0 A 1 ATOM 177 C CB . MET . . 20 ? 7.805 3.632 26.051 1.00 9.59 0 A 1 ATOM 178 C CG . MET . . 20 ? 7.137 3.912 24.677 1.00 11.51 0 A 1 ATOM 179 S SD . MET . . 20 ? 5.400 3.381 24.561 1.00 12.37 0 A 1 ATOM 180 C CE . MET . . 20 ? 5.627 1.580 24.654 1.00 13.46 0 A 1 ATOM 181 N N . LYS . . 21 ? 10.062 3.256 28.267 1.00 11.81 0 A 1 ATOM 182 C CA . LYS . . 21 ? 10.510 3.313 29.682 1.00 12.48 0 A 1 ATOM 183 C C . LYS . . 21 ? 11.531 4.403 29.870 1.00 13.41 0 A 1 ATOM 184 O O . LYS . . 21 ? 11.468 5.150 30.853 1.00 15.51 0 A 1 ATOM 185 C CB . LYS . . 21 ? 11.110 1.975 30.113 1.00 13.05 0 A 1 ATOM 186 C CG . LYS . . 21 ? 10.065 0.899 30.350 1.00 15.56 0 A 1 ATOM 187 C CD . LYS . . 21 ? 10.738 -0.347 30.866 1.00 19.28 0 A 1 ATOM 188 C CE . LYS . . 21 ? 9.819 -1.469 31.103 1.00 23.83 0 A 1 ATOM 189 N NZ . LYS . . 21 ? 10.399 -2.449 31.967 1.00 27.26 1 A 1 ATOM 190 N N . GLU . . 22 ? 12.487 4.507 28.946 1.00 12.33 0 A 1 ATOM 191 C CA . GLU . . 22 ? 13.602 5.497 29.053 1.00 13.32 0 A 1 ATOM 192 C C . GLU . . 22 ? 13.029 6.882 28.978 1.00 12.69 0 A 1 ATOM 193 O O . GLU . . 22 ? 13.496 7.766 29.669 1.00 15.74 0 A 1 ATOM 194 C CB . GLU . . 22 ? 14.692 5.217 27.995 1.00 15.07 0 A 1 ATOM 195 C CG . GLU . . 22 ? 16.072 5.721 28.340 1.00 17.96 0 A 1 ATOM 196 C CD . GLU . . 22 ? 16.796 4.879 29.401 1.00 18.57 0 A 1 ATOM 197 O OE1 . GLU . . 22 ? 16.263 3.858 29.901 1.00 21.57 0 A 1 ATOM 198 O OE2 . GLU . . 22 ? 17.925 5.266 29.751 1.00 22.85 -1 A 1 ATOM 199 N N . VAL . . 23 ? 11.993 7.074 28.159 1.00 12.43 0 A 1 ATOM 200 C CA . VAL . . 23 ? 11.298 8.353 28.021 1.00 11.96 0 A 1 ATOM 201 C C . VAL . . 23 ? 10.564 8.748 29.297 1.00 13.02 0 A 1 ATOM 202 O O . VAL . . 23 ? 10.459 9.908 29.606 1.00 15.13 0 A 1 ATOM 203 C CB . VAL . . 23 ? 10.338 8.341 26.776 1.00 12.31 0 A 1 ATOM 204 C CG1 . VAL . . 23 ? 9.339 9.485 26.767 1.00 13.21 0 A 1 ATOM 205 C CG2 . VAL . . 23 ? 11.187 8.315 25.490 1.00 13.06 0 A 1 ATOM 206 N N . GLY . . 24 ? 10.135 7.754 30.066 1.00 13.31 0 A 1 ATOM 207 C CA . GLY . . 24 ? 9.369 7.984 31.279 1.00 14.22 0 A 1 ATOM 208 C C . GLY . . 24 ? 7.889 7.644 31.196 1.00 13.75 0 A 1 ATOM 209 O O . GLY . . 24 ? 7.098 8.034 32.062 1.00 14.49 0 A 1 ATOM 210 N N . VAL . . 25 ? 7.476 6.945 30.161 1.00 12.82 0 A 1 ATOM 211 C CA . VAL . . 25 ? 6.081 6.556 29.985 1.00 12.36 0 A 1 ATOM 212 C C . VAL . . 25 ? 5.678 5.534 31.043 1.00 11.59 0 A 1 ATOM 213 O O . VAL . . 25 ? 6.434 4.570 31.272 1.00 12.44 0 A 1 ATOM 214 C CB . VAL . . 25 ? 5.826 5.994 28.554 1.00 10.92 0 A 1 ATOM 215 C CG1 . VAL . . 25 ? 4.373 5.699 28.356 1.00 12.18 0 A 1 ATOM 216 C CG2 . VAL . . 25 ? 6.270 6.984 27.477 1.00 12.68 0 A 1 ATOM 217 N N . GLY . . 26 ? 4.512 5.761 31.652 1.00 12.82 0 A 1 ATOM 218 C CA . GLY . . 26 ? 3.983 4.884 32.670 1.00 13.81 0 A 1 ATOM 219 C C . GLY . . 26 ? 3.484 3.555 32.149 1.00 14.13 0 A 1 ATOM 220 O O . GLY . . 26 ? 3.181 3.402 30.980 1.00 13.33 0 A 1 ATOM 221 N N . PHE . . 27 ? 3.312 2.601 33.069 1.00 13.33 0 A 1 ATOM 222 C CA . PHE . . 27 ? 3.031 1.218 32.712 1.00 13.34 0 A 1 ATOM 223 C C . PHE . . 27 ? 1.787 1.117 31.806 1.00 11.08 0 A 1 ATOM 224 O O . PHE . . 27 ? 1.841 0.507 30.745 1.00 12.18 0 A 1 ATOM 225 C CB . PHE . . 27 ? 2.827 0.392 33.988 1.00 12.73 0 A 1 ATOM 226 C CG . PHE . . 27 ? 2.419 -1.023 33.722 1.00 14.62 0 A 1 ATOM 227 C CD1 . PHE . . 27 ? 3.351 -2.039 33.583 1.00 15.14 0 A 1 ATOM 228 C CD2 . PHE . . 27 ? 1.077 -1.393 33.619 1.00 15.46 0 A 1 ATOM 229 C CE1 . PHE . . 27 ? 2.922 -3.378 33.311 1.00 17.05 0 A 1 ATOM 230 C CE2 . PHE . . 27 ? 0.703 -2.703 33.328 1.00 15.34 0 A 1 ATOM 231 C CZ . PHE . . 27 ? 1.635 -3.675 33.210 1.00 16.03 0 A 1 ATOM 232 N N . ALA . . 28 ? 0.651 1.645 32.236 1.00 12.36 0 A 1 ATOM 233 C CA . ALA . . 28 ? -0.619 1.405 31.498 1.00 12.85 0 A 1 ATOM 234 C C . ALA . . 28 ? -0.569 2.063 30.119 1.00 11.97 0 A 1 ATOM 235 O O . ALA . . 28 ? -0.989 1.462 29.129 1.00 14.12 0 A 1 ATOM 236 C CB . ALA . . 28 ? -1.845 1.911 32.244 1.00 12.87 0 A 1 ATOM 237 N N . THR . . 29 ? 0.015 3.263 30.035 1.00 12.23 0 A 1 ATOM 238 C CA . THR . . 29 ? 0.207 3.900 28.749 1.00 12.24 0 A 1 ATOM 239 C C . THR . . 29 ? 1.126 3.088 27.865 1.00 11.25 0 A 1 ATOM 240 O O . THR . . 29 ? 0.874 2.917 26.662 1.00 11.60 0 A 1 ATOM 241 C CB . THR . . 29 ? 0.716 5.310 28.914 1.00 12.85 0 A 1 ATOM 242 C CG2 . THR . . 29 ? 0.947 5.994 27.561 1.00 13.82 0 A 1 ATOM 243 O OG1 . THR . . 29 ? -0.251 6.034 29.664 1.00 14.92 0 A 1 ATOM 244 N N . ARG . . 30 ? 2.219 2.576 28.405 1.00 10.61 0 A 1 ATOM 245 C CA . ARG . . 30 ? 3.169 1.772 27.614 1.00 11.13 0 A 1 ATOM 246 C C . ARG . . 30 ? 2.474 0.548 27.026 1.00 11.07 0 A 1 ATOM 247 O O . ARG . . 30 ? 2.689 0.160 25.870 1.00 11.96 0 A 1 ATOM 248 C CB . ARG . . 30 ? 4.352 1.278 28.391 1.00 11.34 0 A 1 ATOM 249 C CG . ARG . . 30 ? 5.498 2.277 28.716 1.00 12.04 0 A 1 ATOM 250 C CD . ARG . . 30 ? 6.811 1.644 28.990 1.00 10.60 0 A 1 ATOM 251 N NE . ARG . . 30 ? 6.730 0.497 29.874 1.00 11.89 0 A 1 ATOM 252 C CZ . ARG . . 30 ? 6.581 0.549 31.179 1.00 12.98 0 A 1 ATOM 253 N NH1 . ARG . . 30 ? 6.510 1.716 31.858 1.00 13.75 1 A 1 ATOM 254 N NH2 . ARG . . 30 ? 6.543 -0.596 31.859 1.00 14.76 0 A 1 ATOM 255 N N . LYS . . 31 ? 1.669 -0.113 27.835 1.00 11.29 0 A 1 ATOM 256 C CA . LYS . . 31 ? 1.060 -1.356 27.364 1.00 11.82 0 A 1 ATOM 257 C C . LYS . . 31 ? 0.110 -1.064 26.222 1.00 11.89 0 A 1 ATOM 258 O O . LYS . . 31 ? 0.106 -1.770 25.223 1.00 13.03 0 A 1 ATOM 259 C CB . LYS . . 31 ? 0.340 -2.066 28.496 1.00 12.53 0 A 1 ATOM 260 C CG . LYS . . 31 ? 1.217 -2.608 29.581 1.00 16.28 0 A 1 ATOM 261 C CD . LYS . . 31 ? 2.183 -3.675 29.100 1.00 21.65 0 A 1 ATOM 262 C CE . LYS . . 31 ? 3.594 -3.420 29.616 1.00 26.71 0 A 1 ATOM 263 N NZ . LYS . . 31 ? 4.616 -4.407 29.123 1.00 29.44 1 A 1 ATOM 264 N N . VAL . . 32 ? -0.730 -0.076 26.382 1.00 11.23 0 A 1 ATOM 265 C CA . VAL . . 32 ? -1.739 0.262 25.312 1.00 11.62 0 A 1 ATOM 266 C C . VAL . . 32 ? -0.999 0.863 24.101 1.00 11.78 0 A 1 ATOM 267 O O . VAL . . 32 ? -1.358 0.550 22.965 1.00 12.35 0 A 1 ATOM 268 C CB . VAL . . 32 ? -2.866 1.149 25.884 1.00 12.89 0 A 1 ATOM 269 C CG1 . VAL . . 32 ? -3.738 1.703 24.804 1.00 16.23 0 A 1 ATOM 270 C CG2 . VAL . . 32 ? -3.639 0.334 26.937 1.00 14.88 0 A 1 ATOM 271 N N . ALA . . 33 ? -0.036 1.754 24.328 1.00 11.16 0 A 1 ATOM 272 C CA . ALA . . 33 ? 0.680 2.382 23.215 1.00 10.71 0 A 1 ATOM 273 C C . ALA . . 33 ? 1.493 1.353 22.440 1.00 13.06 0 A 1 ATOM 274 O O . ALA . . 33 ? 1.592 1.437 21.222 1.00 13.42 0 A 1 ATOM 275 C CB . ALA . . 33 ? 1.529 3.504 23.709 1.00 13.14 0 A 1 ATOM 276 N N . GLY . . 34 ? 2.034 0.347 23.126 1.00 12.11 0 A 1 ATOM 277 C CA . GLY . . 34 ? 2.838 -0.645 22.457 1.00 11.98 0 A 1 ATOM 278 C C . GLY . . 34 ? 2.067 -1.562 21.571 1.00 12.81 0 A 1 ATOM 279 O O . GLY . . 34 ? 2.592 -2.080 20.622 1.00 14.43 0 A 1 ATOM 280 N N . MET . . 35 ? 0.789 -1.746 21.857 1.00 11.91 0 A 1 ATOM 281 C CA . MET . . 35 ? -0.079 -2.567 21.029 1.00 12.21 0 A 1 ATOM 282 C C . MET . . 35 ? -0.494 -1.911 19.696 1.00 12.09 0 A 1 ATOM 283 O O . MET . . 35 ? -0.812 -2.577 18.738 1.00 14.64 0 A 1 ATOM 284 C CB . MET . . 35 ? -1.373 -2.912 21.743 1.00 13.40 0 A 1 ATOM 285 C CG . MET . . 35 ? -1.200 -3.865 22.865 1.00 14.20 0 A 1 ATOM 286 S SD . MET . . 35 ? -0.717 -5.479 22.413 1.00 13.73 0 A 1 ATOM 287 C CE . MET . . 35 ? -2.057 -6.069 21.438 1.00 19.63 0 A 1 ATOM 288 N N . ALA . . 36 ? -0.441 -0.584 19.635 1.00 11.40 0 A 1 ATOM 289 C CA . ALA . . 36 ? -0.962 0.125 18.482 1.00 13.16 0 A 1 ATOM 290 C C . ALA . . 36 ? -0.164 -0.156 17.220 1.00 11.67 0 A 1 ATOM 291 O O . ALA . . 36 ? 1.034 -0.329 17.258 1.00 12.66 0 A 1 ATOM 292 C CB . ALA . . 36 ? -0.961 1.639 18.769 1.00 13.32 0 A 1 ATOM 293 N N . LYS . . 37 ? -0.875 -0.246 16.107 1.00 12.05 0 A 1 ATOM 294 C CA A LYS . . 37 ? -0.236 -0.437 14.810 0.50 12.70 0 A 1 ATOM 295 C CA B LYS . . 37 ? -0.272 -0.432 14.782 0.50 12.29 0 A 1 ATOM 296 C C . LYS . . 37 ? -0.754 0.732 13.935 1.00 12.17 0 A 1 ATOM 297 O O . LYS . . 37 ? -1.689 0.609 13.146 1.00 13.98 0 A 1 ATOM 298 C CB A LYS . . 37 ? -0.467 -1.876 14.293 0.50 13.70 0 A 1 ATOM 299 C CB B LYS . . 37 ? -0.695 -1.760 14.159 0.50 13.22 0 A 1 ATOM 300 C CG A LYS . . 37 ? -0.388 -2.921 15.463 0.50 16.73 0 A 1 ATOM 301 C CG B LYS . . 37 ? 0.007 -2.930 14.786 0.50 12.67 0 A 1 ATOM 302 C CD A LYS . . 37 ? 0.498 -4.114 15.284 0.50 20.03 0 A 1 ATOM 303 C CD B LYS . . 37 ? 1.476 -2.935 14.461 0.50 16.54 0 A 1 ATOM 304 C CE A LYS . . 37 ? 0.246 -5.222 16.379 0.50 18.05 0 A 1 ATOM 305 C CE B LYS . . 37 ? 2.147 -4.269 14.803 0.50 19.00 0 A 1 ATOM 306 N NZ A LYS . . 37 ? -0.633 -4.943 17.609 0.50 14.76 1 A 1 ATOM 307 N NZ B LYS . . 37 ? 1.930 -4.675 16.196 0.50 19.75 1 A 1 ATOM 308 N N . PRO . . 38 ? -0.129 1.907 14.107 1.00 11.58 0 A 1 ATOM 309 C CA . PRO . . 38 ? -0.677 3.073 13.469 1.00 12.40 0 A 1 ATOM 310 C C . PRO . . 38 ? -0.515 3.139 11.978 1.00 12.39 0 A 1 ATOM 311 O O . PRO . . 38 ? 0.347 2.516 11.416 1.00 12.80 0 A 1 ATOM 312 C CB . PRO . . 38 ? 0.085 4.240 14.085 1.00 14.80 0 A 1 ATOM 313 C CG . PRO . . 38 ? 0.764 3.736 15.169 1.00 17.63 0 A 1 ATOM 314 C CD . PRO . . 38 ? 0.959 2.264 15.018 1.00 13.59 0 A 1 ATOM 315 N N . ASN . . 39 ? -1.417 3.922 11.389 1.00 12.41 0 A 1 ATOM 316 C CA . ASN . . 39 ? -1.153 4.482 10.063 1.00 15.16 0 A 1 ATOM 317 C C . ASN . . 39 ? -0.546 5.858 10.202 1.00 16.43 0 A 1 ATOM 318 O O . ASN . . 39 ? -0.952 6.672 11.049 1.00 20.22 0 A 1 ATOM 319 C CB . ASN . . 39 ? -2.387 4.534 9.254 1.00 17.36 0 A 1 ATOM 320 C CG . ASN . . 39 ? -2.701 3.232 8.556 1.00 20.49 0 A 1 ATOM 321 N ND2 . ASN . . 39 ? -3.308 3.359 7.368 1.00 28.62 0 A 1 ATOM 322 O OD1 . ASN . . 39 ? -2.329 2.155 8.995 1.00 27.12 0 A 1 ATOM 323 N N . MET . . 40 ? 0.429 6.140 9.372 1.00 15.82 0 A 1 ATOM 324 C CA . MET . . 40 ? 1.088 7.403 9.377 1.00 15.10 0 A 1 ATOM 325 C C . MET . . 40 ? 0.928 8.023 8.001 1.00 14.11 0 A 1 ATOM 326 O O . MET . . 40 ? 1.197 7.390 6.998 1.00 15.06 0 A 1 ATOM 327 C CB . MET . . 40 ? 2.543 7.219 9.733 1.00 15.62 0 A 1 ATOM 328 C CG . MET . . 40 ? 3.275 8.516 9.702 1.00 19.55 0 A 1 ATOM 329 S SD . MET . . 40 ? 4.975 8.399 10.157 1.00 23.18 0 A 1 ATOM 330 C CE . MET . . 40 ? 5.560 7.080 9.125 1.00 25.39 0 A 1 ATOM 331 N N . ILE . . 41 ? 0.366 9.211 7.967 1.00 12.82 0 A 1 ATOM 332 C CA . ILE . . 41 ? 0.076 9.954 6.722 1.00 12.27 0 A 1 ATOM 333 C C . ILE . . 41 ? 0.985 11.162 6.705 1.00 10.91 0 A 1 ATOM 334 O O . ILE . . 41 ? 0.898 12.013 7.601 1.00 12.25 0 A 1 ATOM 335 C CB . ILE . . 41 ? -1.412 10.406 6.578 1.00 13.76 0 A 1 ATOM 336 C CG1 . ILE . . 41 ? -2.410 9.207 6.693 1.00 19.15 0 A 1 ATOM 337 C CG2 . ILE . . 41 ? -1.639 11.173 5.299 1.00 17.54 0 A 1 ATOM 338 C CD1 . ILE . . 41 ? -3.879 9.650 6.931 1.00 23.86 0 A 1 ATOM 339 N N . ILE . . 42 ? 1.810 11.264 5.671 1.00 9.98 0 A 1 ATOM 340 C CA . ILE . . 42 ? 2.803 12.357 5.531 1.00 9.28 0 A 1 ATOM 341 C C . ILE . . 42 ? 2.427 13.113 4.257 1.00 9.20 0 A 1 ATOM 342 O O . ILE . . 42 ? 2.269 12.492 3.202 1.00 10.71 0 A 1 ATOM 343 C CB . ILE . . 42 ? 4.238 11.839 5.477 1.00 8.75 0 A 1 ATOM 344 C CG1 . ILE . . 42 ? 4.594 11.082 6.777 1.00 11.75 0 A 1 ATOM 345 C CG2 . ILE . . 42 ? 5.199 12.990 5.257 1.00 11.39 0 A 1 ATOM 346 C CD1 . ILE . . 42 ? 6.020 10.463 6.792 1.00 12.63 0 A 1 ATOM 347 N N . SER . . 43 ? 2.194 14.412 4.368 1.00 9.58 0 A 1 ATOM 348 C CA . SER . . 43 ? 1.920 15.262 3.254 1.00 11.15 0 A 1 ATOM 349 C C . SER . . 43 ? 2.712 16.526 3.330 1.00 10.47 0 A 1 ATOM 350 O O . SER . . 43 ? 3.232 16.929 4.383 1.00 10.53 0 A 1 ATOM 351 C CB . SER . . 43 ? 0.450 15.548 3.203 1.00 13.19 0 A 1 ATOM 352 O OG . SER . . 43 ? 0.056 16.208 4.359 1.00 15.19 0 A 1 ATOM 353 N N . VAL . . 44 ? 2.845 17.152 2.175 1.00 11.58 0 A 1 ATOM 354 C CA . VAL . . 44 ? 3.529 18.395 2.028 1.00 11.00 0 A 1 ATOM 355 C C . VAL . . 44 ? 2.722 19.391 1.243 1.00 12.29 0 A 1 ATOM 356 O O . VAL . . 44 ? 2.061 19.030 0.266 1.00 14.85 0 A 1 ATOM 357 C CB . VAL . . 44 ? 4.894 18.233 1.351 1.00 11.93 0 A 1 ATOM 358 C CG1 . VAL . . 44 ? 5.732 19.527 1.244 1.00 16.24 0 A 1 ATOM 359 C CG2 . VAL . . 44 ? 5.766 17.253 2.096 1.00 14.86 0 A 1 ATOM 360 N N . ASN . . 45 ? 2.668 20.627 1.700 1.00 11.07 0 A 1 ATOM 361 C CA . ASN . . 45 ? 1.935 21.695 1.010 1.00 11.46 0 A 1 ATOM 362 C C . ASN . . 45 ? 2.818 22.930 1.176 1.00 11.99 0 A 1 ATOM 363 O O . ASN . . 45 ? 2.923 23.495 2.241 1.00 11.17 0 A 1 ATOM 364 C CB . ASN . . 45 ? 0.561 21.844 1.636 1.00 11.41 0 A 1 ATOM 365 C CG . ASN . . 45 ? -0.341 22.856 0.930 1.00 12.11 0 A 1 ATOM 366 N ND2 . ASN . . 45 ? 0.270 23.902 0.450 1.00 11.24 0 A 1 ATOM 367 O OD1 . ASN . . 45 ? -1.599 22.690 0.828 1.00 13.63 0 A 1 ATOM 368 N N . GLY . . 46 ? 3.486 23.320 0.102 1.00 13.20 0 A 1 ATOM 369 C CA . GLY . . 46 ? 4.462 24.380 0.159 1.00 13.02 0 A 1 ATOM 370 C C . GLY . . 46 ? 5.572 24.017 1.112 1.00 12.54 0 A 1 ATOM 371 O O . GLY . . 46 ? 6.193 22.965 0.993 1.00 14.72 0 A 1 ATOM 372 N N . ASP . . 47 ? 5.825 24.881 2.086 1.00 12.16 0 A 1 ATOM 373 C CA . ASP . . 47 ? 6.884 24.644 3.084 1.00 12.99 0 A 1 ATOM 374 C C . ASP . . 47 ? 6.389 23.844 4.276 1.00 11.61 0 A 1 ATOM 375 O O . ASP . . 47 ? 7.172 23.498 5.147 1.00 11.08 0 A 1 ATOM 376 C CB . ASP . . 47 ? 7.446 25.984 3.594 1.00 15.24 0 A 1 ATOM 377 C CG . ASP . . 47 ? 8.063 26.839 2.521 1.00 19.64 0 A 1 ATOM 378 O OD1 . ASP . . 47 ? 8.580 26.284 1.543 1.00 26.10 0 A 1 ATOM 379 O OD2 . ASP . . 47 ? 8.025 28.078 2.693 1.00 27.47 -1 A 1 ATOM 380 N N . VAL . . 48 ? 5.100 23.530 4.297 1.00 10.42 0 A 1 ATOM 381 C CA . VAL . . 48 ? 4.468 22.904 5.485 1.00 8.72 0 A 1 ATOM 382 C C . VAL . . 48 ? 4.390 21.408 5.295 1.00 9.78 0 A 1 ATOM 383 O O . VAL . . 48 ? 3.717 20.928 4.381 1.00 10.02 0 A 1 ATOM 384 C CB . VAL . . 48 ? 3.105 23.507 5.807 1.00 10.03 0 A 1 ATOM 385 C CG1 . VAL . . 48 ? 2.580 22.886 7.122 1.00 12.12 0 A 1 ATOM 386 C CG2 . VAL . . 48 ? 3.152 25.042 5.961 1.00 13.09 0 A 1 ATOM 387 N N . ILE . . 49 ? 5.027 20.673 6.201 1.00 8.42 0 A 1 ATOM 388 C CA . ILE . . 49 ? 4.939 19.187 6.252 1.00 7.84 0 A 1 ATOM 389 C C . ILE . . 49 ? 3.956 18.835 7.344 1.00 7.70 0 A 1 ATOM 390 O O . ILE . . 49 ? 3.967 19.434 8.440 1.00 8.94 0 A 1 ATOM 391 C CB . ILE . . 49 ? 6.336 18.567 6.516 1.00 8.21 0 A 1 ATOM 392 C CG1 . ILE . . 49 ? 7.337 19.054 5.474 1.00 10.25 0 A 1 ATOM 393 C CG2 . ILE . . 49 ? 6.249 17.035 6.610 1.00 10.89 0 A 1 ATOM 394 C CD1 . ILE . . 49 ? 8.795 18.733 5.878 1.00 15.19 0 A 1 ATOM 395 N N . THR . . 50 ? 3.028 17.923 7.063 1.00 8.20 0 A 1 ATOM 396 C CA . THR . . 50 ? 2.052 17.385 8.033 1.00 9.20 0 A 1 ATOM 397 C C . THR . . 50 ? 2.336 15.885 8.212 1.00 9.04 0 A 1 ATOM 398 O O . THR . . 50 ? 2.415 15.131 7.238 1.00 9.47 0 A 1 ATOM 399 C CB . THR . . 50 ? 0.576 17.691 7.645 1.00 8.79 0 A 1 ATOM 400 C CG2 . THR . . 50 ? -0.330 17.126 8.652 1.00 10.85 0 A 1 ATOM 401 O OG1 . THR . . 50 ? 0.453 19.107 7.552 1.00 11.83 0 A 1 ATOM 402 N N . ILE . . 51 ? 2.454 15.459 9.472 1.00 8.71 0 A 1 ATOM 403 C CA . ILE . . 51 ? 2.597 14.028 9.831 1.00 7.99 0 A 1 ATOM 404 C C . ILE . . 51 ? 1.430 13.709 10.762 1.00 8.60 0 A 1 ATOM 405 O O . ILE . . 51 ? 1.338 14.264 11.883 1.00 10.05 0 A 1 ATOM 406 C CB . ILE . . 51 ? 3.937 13.726 10.461 1.00 9.09 0 A 1 ATOM 407 C CG1 . ILE . . 51 ? 5.096 14.063 9.575 1.00 9.64 0 A 1 ATOM 408 C CG2 . ILE . . 51 ? 3.912 12.211 10.834 1.00 11.77 0 A 1 ATOM 409 C CD1 . ILE . . 51 ? 6.418 13.824 10.141 1.00 12.18 0 A 1 ATOM 410 N N A LYS . . 52 ? 0.502 12.874 10.295 0.50 9.58 0 A 1 ATOM 411 N N B LYS . . 52 ? 0.485 12.896 10.310 0.50 9.43 0 A 1 ATOM 412 C CA A LYS . . 52 ? -0.707 12.446 10.964 0.50 10.26 0 A 1 ATOM 413 C CA B LYS . . 52 ? -0.514 12.324 11.152 0.50 9.98 0 A 1 ATOM 414 C C A LYS . . 52 ? -0.545 10.937 11.365 0.50 11.02 0 A 1 ATOM 415 C C B LYS . . 52 ? -0.161 10.915 11.511 0.50 10.77 0 A 1 ATOM 416 O O A LYS . . 52 ? -0.320 10.119 10.504 0.50 9.29 0 A 1 ATOM 417 O O B LYS . . 52 ? 0.551 10.169 10.813 0.50 10.39 0 A 1 ATOM 418 C CB A LYS . . 52 ? -1.961 12.643 10.066 0.50 10.77 0 A 1 ATOM 419 C CB B LYS . . 52 ? -1.922 12.314 10.563 0.50 10.50 0 A 1 ATOM 420 C CG A LYS . . 52 ? -3.257 12.328 10.707 0.50 13.54 0 A 1 ATOM 421 C CG B LYS . . 52 ? -2.303 13.619 9.920 0.50 12.20 0 A 1 ATOM 422 C CD A LYS . . 52 ? -4.442 12.624 9.709 0.50 17.29 0 A 1 ATOM 423 C CD B LYS . . 52 ? -3.571 13.570 9.222 0.50 12.45 0 A 1 ATOM 424 C CE A LYS . . 52 ? -5.847 12.622 10.334 0.50 19.75 0 A 1 ATOM 425 C CE B LYS . . 52 ? -3.783 14.883 8.420 0.50 18.21 0 A 1 ATOM 426 N NZ A LYS . . 52 ? -6.866 13.257 9.460 0.50 22.56 1 A 1 ATOM 427 N NZ B LYS . . 52 ? -3.141 14.864 7.064 0.50 20.04 1 A 1 ATOM 428 N N . SER . . 53 ? -0.687 10.580 12.655 1.00 12.37 0 A 1 ATOM 429 C CA . SER . . 53 ? -0.717 9.195 13.107 1.00 13.55 0 A 1 ATOM 430 C C . SER . . 53 ? -2.149 8.856 13.539 1.00 13.51 0 A 1 ATOM 431 O O . SER . . 53 ? -2.721 9.508 14.391 1.00 14.72 0 A 1 ATOM 432 C CB . SER . . 53 ? 0.245 9.030 14.275 1.00 14.38 0 A 1 ATOM 433 O OG . SER . . 53 ? 0.266 7.685 14.774 1.00 17.91 0 A 1 ATOM 434 N N . GLU . . 54 ? -2.687 7.851 12.890 1.00 13.48 0 A 1 ATOM 435 C CA . GLU . . 54 ? -4.048 7.356 13.198 1.00 14.29 0 A 1 ATOM 436 C C . GLU . . 54 ? -3.914 6.035 13.873 1.00 13.95 0 A 1 ATOM 437 O O . GLU . . 54 ? -3.345 5.095 13.298 1.00 13.38 0 A 1 ATOM 438 C CB . GLU . . 54 ? -4.820 7.221 11.903 1.00 16.95 0 A 1 ATOM 439 C CG . GLU . . 54 ? -5.031 8.521 11.175 1.00 22.04 0 A 1 ATOM 440 C CD . GLU . . 54 ? -6.065 8.386 10.095 1.00 28.65 0 A 1 ATOM 441 O OE1 . GLU . . 54 ? -5.980 7.430 9.292 1.00 30.18 0 A 1 ATOM 442 O OE2 . GLU . . 54 ? -6.985 9.230 10.061 1.00 36.17 -1 A 1 ATOM 443 N N A SER . . 55 ? -4.333 5.915 15.123 0.50 14.56 0 A 1 ATOM 444 N N B SER . . 55 ? -4.398 5.956 15.106 0.50 15.35 0 A 1 ATOM 445 C CA A SER . . 55 ? -4.286 4.576 15.755 0.50 15.85 0 A 1 ATOM 446 C CA B SER . . 55 ? -4.153 4.764 15.931 0.50 18.05 0 A 1 ATOM 447 C C A SER . . 55 ? -5.409 4.401 16.709 0.50 16.59 0 A 1 ATOM 448 C C B SER . . 55 ? -5.262 4.495 16.893 0.50 17.81 0 A 1 ATOM 449 O O A SER . . 55 ? -6.250 5.249 16.929 0.50 15.92 0 A 1 ATOM 450 O O B SER . . 55 ? -5.914 5.420 17.373 0.50 16.46 0 A 1 ATOM 451 C CB A SER . . 55 ? -2.934 4.114 16.420 0.50 16.30 0 A 1 ATOM 452 C CB B SER . . 55 ? -2.871 4.843 16.752 0.50 20.28 0 A 1 ATOM 453 O OG A SER . . 55 ? -2.684 4.615 17.747 0.50 10.01 0 A 1 ATOM 454 O OG B SER . . 55 ? -2.449 6.144 16.925 0.50 24.35 0 A 1 ATOM 455 N N . THR . . 56 ? -5.392 3.224 17.248 1.00 17.34 0 A 1 ATOM 456 C CA . THR . . 56 ? -6.317 2.816 18.249 1.00 18.09 0 A 1 ATOM 457 C C . THR . . 56 ? -5.934 3.369 19.601 1.00 17.62 0 A 1 ATOM 458 O O . THR . . 56 ? -6.792 3.393 20.469 1.00 20.53 0 A 1 ATOM 459 C CB . THR . . 56 ? -6.272 1.266 18.305 1.00 20.19 0 A 1 ATOM 460 C CG2 . THR . . 56 ? -7.093 0.708 17.102 1.00 20.87 0 A 1 ATOM 461 O OG1 . THR . . 56 ? -4.873 0.836 18.239 1.00 19.99 0 A 1 ATOM 462 N N . PHE . . 57 ? -4.671 3.722 19.814 1.00 16.32 0 A 1 ATOM 463 C CA . PHE . . 57 ? -4.217 4.356 21.056 1.00 16.82 0 A 1 ATOM 464 C C . PHE . . 57 ? -4.588 5.827 21.061 1.00 16.42 0 A 1 ATOM 465 O O . PHE . . 57 ? -5.497 6.245 21.751 1.00 18.82 0 A 1 ATOM 466 C CB . PHE . . 57 ? -2.718 4.104 21.293 1.00 17.84 0 A 1 ATOM 467 C CG . PHE . . 57 ? -2.105 4.930 22.380 1.00 20.38 0 A 1 ATOM 468 C CD1 . PHE . . 57 ? -2.642 4.961 23.639 1.00 21.99 0 A 1 ATOM 469 C CD2 . PHE . . 57 ? -0.955 5.657 22.133 1.00 19.58 0 A 1 ATOM 470 C CE1 . PHE . . 57 ? -2.043 5.753 24.649 1.00 23.48 0 A 1 ATOM 471 C CE2 . PHE . . 57 ? -0.356 6.442 23.153 1.00 22.53 0 A 1 ATOM 472 C CZ . PHE . . 57 ? -0.920 6.479 24.384 1.00 22.86 0 A 1 ATOM 473 N N A LYS . . 58 ? -3.901 6.578 20.227 0.50 17.18 0 A 1 ATOM 474 N N B LYS . . 58 ? -3.847 6.691 20.364 0.50 14.94 0 A 1 ATOM 475 C CA A LYS . . 58 ? -4.181 7.961 20.065 0.50 17.21 0 A 1 ATOM 476 C CA B LYS . . 58 ? -4.091 8.160 20.401 0.50 13.60 0 A 1 ATOM 477 C C A LYS . . 58 ? -4.092 8.281 18.618 0.50 16.86 0 A 1 ATOM 478 C C B LYS . . 58 ? -3.679 8.767 19.066 0.50 12.76 0 A 1 ATOM 479 O O A LYS . . 58 ? -3.608 7.541 17.745 0.50 17.76 0 A 1 ATOM 480 O O B LYS . . 58 ? -2.487 8.579 18.693 0.50 11.55 0 A 1 ATOM 481 C CB A LYS . . 58 ? -3.174 8.816 20.825 0.50 17.58 0 A 1 ATOM 482 C CB B LYS . . 58 ? -3.262 8.798 21.525 0.50 12.69 0 A 1 ATOM 483 C CG A LYS . . 58 ? -3.239 8.654 22.334 0.50 20.12 0 A 1 ATOM 484 C CG B LYS . . 58 ? -3.391 10.313 21.600 0.50 14.41 0 A 1 ATOM 485 C CD A LYS . . 58 ? -4.529 9.247 22.858 0.50 22.92 0 A 1 ATOM 486 C CD B LYS . . 58 ? -4.713 10.780 22.026 0.50 16.70 0 A 1 ATOM 487 C CE A LYS . . 58 ? -4.937 8.705 24.218 0.50 23.55 0 A 1 ATOM 488 C CE B LYS . . 58 ? -4.803 12.264 21.783 0.50 20.00 0 A 1 ATOM 489 N NZ A LYS . . 58 ? -6.363 9.073 24.491 0.50 25.39 1 A 1 ATOM 490 N NZ B LYS . . 58 ? -5.470 12.556 20.465 0.50 19.64 1 A 1 ATOM 491 N N . ASN . . 59 ? -4.667 9.400 18.352 1.00 13.54 0 A 1 ATOM 492 C CA . ASN . . 59 ? -4.393 10.060 17.072 1.00 13.91 0 A 1 ATOM 493 C C . ASN . . 59 ? -3.566 11.300 17.362 1.00 14.28 0 A 1 ATOM 494 O O . ASN . . 59 ? -3.799 11.997 18.371 1.00 18.10 0 A 1 ATOM 495 C CB . ASN . . 59 ? -5.713 10.427 16.368 1.00 15.42 0 A 1 ATOM 496 C CG . ASN . . 59 ? -6.615 9.255 16.075 1.00 16.26 0 A 1 ATOM 497 N ND2 . ASN . . 59 ? -7.923 9.429 16.342 1.00 24.83 0 A 1 ATOM 498 O OD1 . ASN . . 59 ? -6.199 8.217 15.601 1.00 17.11 0 A 1 ATOM 499 N N . THR . . 60 ? -2.597 11.578 16.505 1.00 13.55 0 A 1 ATOM 500 C CA . THR . . 60 ? -1.831 12.792 16.606 1.00 13.19 0 A 1 ATOM 501 C C . THR . . 60 ? -1.707 13.415 15.222 1.00 12.66 0 A 1 ATOM 502 O O . THR . . 60 ? -1.802 12.739 14.194 1.00 11.69 0 A 1 ATOM 503 C CB . THR . . 60 ? -0.467 12.561 17.192 1.00 13.34 0 A 1 ATOM 504 C CG2 . THR . . 60 ? -0.517 11.970 18.604 1.00 15.48 0 A 1 ATOM 505 O OG1 . THR . . 60 ? 0.299 11.699 16.359 1.00 13.96 0 A 1 ATOM 506 N N . GLU . . 61 ? -1.434 14.704 15.206 1.00 12.24 0 A 1 ATOM 507 C CA . GLU . . 61 ? -1.096 15.409 13.990 1.00 11.57 0 A 1 ATOM 508 C C . GLU . . 61 ? -0.186 16.549 14.313 1.00 11.59 0 A 1 ATOM 509 O O . GLU . . 61 ? -0.452 17.359 15.210 1.00 13.98 0 A 1 ATOM 510 C CB . GLU . . 61 ? -2.345 15.913 13.322 1.00 13.24 0 A 1 ATOM 511 C CG . GLU . . 61 ? -2.084 16.666 12.039 1.00 16.96 0 A 1 ATOM 512 C CD . GLU . . 61 ? -3.394 17.147 11.445 1.00 22.23 0 A 1 ATOM 513 O OE1 . GLU . . 61 ? -3.408 18.231 10.823 1.00 29.51 0 A 1 ATOM 514 O OE2 . GLU . . 61 ? -4.433 16.524 11.675 1.00 27.01 -1 A 1 ATOM 515 N N . ILE . . 62 ? 0.886 16.640 13.544 1.00 10.42 0 A 1 ATOM 516 C CA . ILE . . 62 ? 1.814 17.766 13.636 1.00 10.31 0 A 1 ATOM 517 C C . ILE . . 62 ? 2.000 18.377 12.240 1.00 9.70 0 A 1 ATOM 518 O O . ILE . . 62 ? 2.094 17.644 11.248 1.00 10.99 0 A 1 ATOM 519 C CB . ILE . . 62 ? 3.179 17.409 14.291 1.00 10.10 0 A 1 ATOM 520 C CG1 . ILE . . 62 ? 3.983 16.329 13.511 1.00 12.03 0 A 1 ATOM 521 C CG2 . ILE . . 62 ? 2.957 16.977 15.742 1.00 13.59 0 A 1 ATOM 522 C CD1 . ILE . . 62 ? 5.383 16.082 13.989 1.00 12.48 0 A 1 ATOM 523 N N . SER . . 63 ? 1.997 19.682 12.178 1.00 8.72 0 A 1 ATOM 524 C CA . SER . . 63 ? 2.408 20.450 10.991 1.00 8.57 0 A 1 ATOM 525 C C . SER . . 63 ? 3.545 21.389 11.320 1.00 8.22 0 A 1 ATOM 526 O O . SER . . 63 ? 3.521 22.003 12.379 1.00 9.77 0 A 1 ATOM 527 C CB . SER . . 63 ? 1.217 21.221 10.388 1.00 9.79 0 A 1 ATOM 528 O OG . SER . . 63 ? 0.193 20.359 9.966 1.00 12.08 0 A 1 ATOM 529 N N . PHE . . 64 ? 4.507 21.501 10.441 1.00 8.15 0 A 1 ATOM 530 C CA . PHE . . 64 ? 5.681 22.238 10.741 1.00 8.98 0 A 1 ATOM 531 C C . PHE . . 64 ? 6.416 22.649 9.463 1.00 7.69 0 A 1 ATOM 532 O O . PHE . . 64 ? 6.210 22.089 8.405 1.00 9.10 0 A 1 ATOM 533 C CB . PHE . . 64 ? 6.619 21.367 11.658 1.00 10.08 0 A 1 ATOM 534 C CG . PHE . . 64 ? 6.993 20.042 11.044 1.00 8.95 0 A 1 ATOM 535 C CD1 . PHE . . 64 ? 6.150 18.961 11.207 1.00 9.45 0 A 1 ATOM 536 C CD2 . PHE . . 64 ? 8.123 19.903 10.317 1.00 9.20 0 A 1 ATOM 537 C CE1 . PHE . . 64 ? 6.409 17.765 10.533 1.00 9.83 0 A 1 ATOM 538 C CE2 . PHE . . 64 ? 8.411 18.691 9.705 1.00 11.18 0 A 1 ATOM 539 C CZ . PHE . . 64 ? 7.519 17.658 9.870 1.00 9.64 0 A 1 ATOM 540 N N . ILE . . 65 ? 7.360 23.531 9.645 1.00 7.88 0 A 1 ATOM 541 C CA . ILE . . 65 ? 8.318 23.985 8.668 1.00 8.17 0 A 1 ATOM 542 C C . ILE . . 65 ? 9.689 23.568 9.145 1.00 8.93 0 A 1 ATOM 543 O O . ILE . . 65 ? 9.989 23.682 10.322 1.00 8.38 0 A 1 ATOM 544 C CB . ILE . . 65 ? 8.199 25.516 8.437 1.00 9.58 0 A 1 ATOM 545 C CG1 . ILE . . 65 ? 6.816 25.859 7.890 1.00 10.77 0 A 1 ATOM 546 C CG2 . ILE . . 65 ? 9.342 25.980 7.552 1.00 11.08 0 A 1 ATOM 547 C CD1 . ILE . . 65 ? 6.547 27.395 7.823 1.00 14.05 0 A 1 ATOM 548 N N . LEU . . 66 ? 10.490 23.004 8.271 1.00 8.20 0 A 1 ATOM 549 C CA . LEU . . 66 ? 11.752 22.511 8.645 1.00 7.73 0 A 1 ATOM 550 C C . LEU . . 66 ? 12.608 23.606 9.304 1.00 9.53 0 A 1 ATOM 551 O O . LEU . . 66 ? 12.679 24.725 8.785 1.00 10.13 0 A 1 ATOM 552 C CB . LEU . . 66 ? 12.519 21.913 7.419 1.00 9.53 0 A 1 ATOM 553 C CG . LEU . . 66 ? 11.914 20.659 6.802 1.00 11.29 0 A 1 ATOM 554 C CD1 . LEU . . 66 ? 12.524 20.372 5.407 1.00 14.48 0 A 1 ATOM 555 C CD2 . LEU . . 66 ? 12.039 19.521 7.738 1.00 12.49 0 A 1 ATOM 556 N N . GLY . . 67 ? 13.291 23.264 10.398 1.00 9.00 0 A 1 ATOM 557 C CA . GLY . . 67 ? 14.120 24.175 11.124 1.00 9.96 0 A 1 ATOM 558 C C . GLY . . 67 ? 13.450 25.083 12.110 1.00 8.99 0 A 1 ATOM 559 O O . GLY . . 67 ? 14.146 25.836 12.806 1.00 9.62 0 A 1 ATOM 560 N N . GLN . . 68 ? 12.132 25.064 12.161 1.00 8.61 0 A 1 ATOM 561 C CA . GLN . . 68 ? 11.304 26.044 12.900 1.00 9.37 0 A 1 ATOM 562 C C . GLN . . 68 ? 10.573 25.360 14.059 1.00 9.12 0 A 1 ATOM 563 O O . GLN . . 68 ? 9.689 24.532 13.879 1.00 9.37 0 A 1 ATOM 564 C CB . GLN . . 68 ? 10.316 26.750 11.982 1.00 10.47 0 A 1 ATOM 565 C CG . GLN . . 68 ? 11.130 27.404 10.833 1.00 12.59 0 A 1 ATOM 566 C CD . GLN . . 68 ? 10.432 28.427 10.039 1.00 15.00 0 A 1 ATOM 567 N NE2 . GLN . . 68 ? 11.169 28.981 9.060 1.00 15.42 0 A 1 ATOM 568 O OE1 . GLN . . 68 ? 9.239 28.772 10.274 1.00 17.48 0 A 1 ATOM 569 N N A GLU . . 69 ? 10.965 25.721 15.280 0.50 8.99 0 A 1 ATOM 570 N N B GLU . . 69 ? 11.007 25.731 15.288 0.50 9.85 0 A 1 ATOM 571 C CA A GLU . . 69 ? 10.453 24.986 16.429 0.50 9.33 0 A 1 ATOM 572 C CA B GLU . . 69 ? 10.443 25.188 16.558 0.50 11.45 0 A 1 ATOM 573 C C A GLU . . 69 ? 8.973 25.255 16.704 0.50 9.46 0 A 1 ATOM 574 C C B GLU . . 69 ? 8.935 25.238 16.569 0.50 10.05 0 A 1 ATOM 575 O O A GLU . . 69 ? 8.439 26.362 16.501 0.50 8.09 0 A 1 ATOM 576 O O B GLU . . 69 ? 8.360 26.214 16.030 0.50 7.53 0 A 1 ATOM 577 C CB A GLU . . 69 ? 11.341 25.336 17.639 0.50 9.54 0 A 1 ATOM 578 C CB B GLU . . 69 ? 10.986 26.021 17.775 0.50 12.11 0 A 1 ATOM 579 C CG A GLU . . 69 ? 10.740 25.075 19.078 0.50 12.46 0 A 1 ATOM 580 C CG B GLU . . 69 ? 10.285 27.325 18.010 0.50 17.91 0 A 1 ATOM 581 C CD A GLU . . 69 ? 11.558 25.709 20.172 0.50 19.19 0 A 1 ATOM 582 C CD B GLU . . 69 ? 10.764 28.129 19.228 0.50 19.00 0 A 1 ATOM 583 O OE1 A GLU . . 69 ? 11.359 26.907 20.455 0.50 22.75 0 A 1 ATOM 584 O OE1 B GLU . . 69 ? 11.731 27.729 19.900 0.50 16.49 0 A 1 ATOM 585 O OE2 A GLU . . 69 ? 12.386 24.988 20.735 0.50 22.91 -1 A 1 ATOM 586 O OE2 B GLU . . 69 ? 10.173 29.199 19.489 0.50 24.57 -1 A 1 ATOM 587 N N . PHE . . 70 ? 8.289 24.225 17.191 1.00 9.00 0 A 1 ATOM 588 C CA . PHE . . 70 ? 6.877 24.209 17.449 1.00 8.68 0 A 1 ATOM 589 C C . PHE . . 70 ? 6.628 23.427 18.725 1.00 9.33 0 A 1 ATOM 590 O O . PHE . . 70 ? 7.401 22.651 19.222 1.00 10.80 0 A 1 ATOM 591 C CB . PHE . . 70 ? 6.130 23.612 16.239 1.00 9.73 0 A 1 ATOM 592 C CG . PHE . . 70 ? 6.500 22.196 15.895 1.00 8.79 0 A 1 ATOM 593 C CD1 . PHE . . 70 ? 7.571 21.925 15.122 1.00 7.57 0 A 1 ATOM 594 C CD2 . PHE . . 70 ? 5.709 21.164 16.335 1.00 11.65 0 A 1 ATOM 595 C CE1 . PHE . . 70 ? 7.932 20.611 14.768 1.00 8.56 0 A 1 ATOM 596 C CE2 . PHE . . 70 ? 6.020 19.848 16.007 1.00 12.07 0 A 1 ATOM 597 C CZ . PHE . . 70 ? 7.083 19.578 15.230 1.00 10.88 0 A 1 ATOM 598 N N . ASP . . 71 ? 5.443 23.700 19.237 1.00 10.43 0 A 1 ATOM 599 C CA . ASP . . 71 ? 4.871 22.970 20.384 1.00 11.11 0 A 1 ATOM 600 C C . ASP . . 71 ? 4.125 21.730 19.938 1.00 11.85 0 A 1 ATOM 601 O O . ASP . . 71 ? 3.393 21.732 18.937 1.00 14.10 0 A 1 ATOM 602 C CB . ASP . . 71 ? 3.788 23.834 21.036 1.00 12.52 0 A 1 ATOM 603 C CG . ASP . . 71 ? 4.320 25.049 21.656 1.00 15.35 0 A 1 ATOM 604 O OD1 . ASP . . 71 ? 5.271 24.902 22.430 1.00 17.62 0 A 1 ATOM 605 O OD2 . ASP . . 71 ? 3.701 26.139 21.432 1.00 15.76 -1 A 1 ATOM 606 N N . GLU . . 72 ? 4.366 20.628 20.664 1.00 12.16 0 A 1 ATOM 607 C CA . GLU . . 72 ? 3.797 19.336 20.319 1.00 12.62 0 A 1 ATOM 608 C C . GLU . . 72 ? 3.304 18.707 21.622 1.00 14.15 0 A 1 ATOM 609 O O . GLU . . 72 ? 3.948 18.736 22.625 1.00 13.95 0 A 1 ATOM 610 C CB . GLU . . 72 ? 4.886 18.458 19.649 1.00 12.49 0 A 1 ATOM 611 C CG . GLU . . 72 ? 4.485 16.998 19.336 1.00 12.77 0 A 1 ATOM 612 C CD . GLU . . 72 ? 5.527 16.195 18.634 1.00 12.41 0 A 1 ATOM 613 O OE1 . GLU . . 72 ? 6.652 16.639 18.556 1.00 13.72 0 A 1 ATOM 614 O OE2 . GLU . . 72 ? 5.158 15.083 18.191 1.00 16.18 -1 A 1 ATOM 615 N N . VAL . . 73 ? 2.137 18.126 21.579 1.00 13.63 0 A 1 ATOM 616 C CA . VAL . . 73 ? 1.621 17.305 22.679 1.00 13.49 0 A 1 ATOM 617 C C . VAL . . 73 ? 1.684 15.868 22.154 1.00 13.41 0 A 1 ATOM 618 O O . VAL . . 73 ? 1.015 15.498 21.208 1.00 15.58 0 A 1 ATOM 619 C CB . VAL . . 73 ? 0.244 17.718 23.174 1.00 15.87 0 A 1 ATOM 620 C CG1 . VAL . . 73 ? -0.216 16.734 24.283 1.00 17.44 0 A 1 ATOM 621 C CG2 . VAL . . 73 ? 0.273 19.188 23.777 1.00 17.71 0 A 1 ATOM 622 N N . THR . . 74 ? 2.590 15.070 22.697 1.00 12.80 0 A 1 ATOM 623 C CA . THR . . 74 ? 2.787 13.721 22.192 1.00 12.53 0 A 1 ATOM 624 C C . THR . . 74 ? 1.649 12.752 22.542 1.00 13.15 0 A 1 ATOM 625 O O . THR . . 74 ? 0.780 13.062 23.343 1.00 13.79 0 A 1 ATOM 626 C CB . THR . . 74 ? 4.140 13.167 22.714 1.00 12.69 0 A 1 ATOM 627 C CG2 . THR . . 74 ? 5.295 14.106 22.406 1.00 11.57 0 A 1 ATOM 628 O OG1 . THR . . 74 ? 3.965 13.002 24.126 1.00 13.57 0 A 1 ATOM 629 N N . ALA . . 75 ? 1.671 11.572 21.929 1.00 13.76 0 A 1 ATOM 630 C CA . ALA . . 75 ? 0.580 10.583 22.114 1.00 15.27 0 A 1 ATOM 631 C C . ALA . . 75 ? 0.471 10.183 23.591 1.00 14.87 0 A 1 ATOM 632 O O . ALA . . 75 ? -0.616 9.890 24.102 1.00 17.27 0 A 1 ATOM 633 C CB . ALA . . 75 ? 0.809 9.329 21.221 1.00 15.03 0 A 1 ATOM 634 N N . ASP . . 76 ? 1.635 10.181 24.270 1.00 14.06 0 A 1 ATOM 635 C CA . ASP . . 76 ? 1.645 9.888 25.717 1.00 14.28 0 A 1 ATOM 636 C C . ASP . . 76 ? 1.475 11.120 26.607 1.00 14.88 0 A 1 ATOM 637 O O . ASP . . 76 ? 1.623 11.046 27.808 1.00 17.48 0 A 1 ATOM 638 C CB . ASP . . 76 ? 2.904 9.141 26.115 1.00 14.08 0 A 1 ATOM 639 C CG . ASP . . 76 ? 4.199 9.933 25.808 1.00 12.79 0 A 1 ATOM 640 O OD1 . ASP . . 76 ? 4.329 10.438 24.654 1.00 13.77 0 A 1 ATOM 641 O OD2 . ASP . . 76 ? 5.074 10.129 26.703 1.00 13.70 -1 A 1 ATOM 642 N N . ASP . . 77 ? 1.112 12.260 26.026 1.00 14.13 0 A 1 ATOM 643 C CA . ASP . . 77 ? 0.711 13.487 26.735 1.00 16.50 0 A 1 ATOM 644 C C . ASP . . 77 ? 1.890 14.232 27.346 1.00 15.84 0 A 1 ATOM 645 O O . ASP . . 77 ? 1.709 14.944 28.340 1.00 18.12 0 A 1 ATOM 646 C CB . ASP . . 77 ? -0.427 13.269 27.743 1.00 16.83 0 A 1 ATOM 647 C CG . ASP . . 77 ? -1.287 14.496 27.907 1.00 22.22 0 A 1 ATOM 648 O OD1 . ASP . . 77 ? -1.946 14.600 28.963 1.00 28.90 0 A 1 ATOM 649 O OD2 . ASP . . 77 ? -1.357 15.360 26.994 1.00 27.62 -1 A 1 ATOM 650 N N . ARG . . 78 ? 3.077 14.165 26.733 1.00 14.80 0 A 1 ATOM 651 C CA . ARG . . 78 ? 4.139 15.107 27.102 1.00 14.19 0 A 1 ATOM 652 C C . ARG . . 78 ? 3.947 16.357 26.269 1.00 14.21 0 A 1 ATOM 653 O O . ARG . . 78 ? 3.617 16.301 25.111 1.00 15.03 0 A 1 ATOM 654 C CB . ARG . . 78 ? 5.526 14.561 26.761 1.00 14.54 0 A 1 ATOM 655 C CG . ARG . . 78 ? 6.130 13.475 27.702 1.00 14.01 0 A 1 ATOM 656 C CD . ARG . . 78 ? 7.375 12.868 27.128 1.00 12.51 0 A 1 ATOM 657 N NE . ARG . . 78 ? 7.000 11.979 26.032 1.00 12.68 0 A 1 ATOM 658 C CZ . ARG . . 78 ? 7.593 11.963 24.853 1.00 11.44 0 A 1 ATOM 659 N NH1 . ARG . . 78 ? 8.620 12.737 24.586 1.00 10.83 1 A 1 ATOM 660 N NH2 . ARG . . 78 ? 7.126 11.206 23.906 1.00 13.23 0 A 1 ATOM 661 N N . LYS . . 79 ? 4.237 17.480 26.907 1.00 14.49 0 A 1 ATOM 662 C CA . LYS . . 79 ? 4.186 18.779 26.234 1.00 14.58 0 A 1 ATOM 663 C C . LYS . . 79 ? 5.600 19.143 25.915 1.00 13.38 0 A 1 ATOM 664 O O . LYS . . 79 ? 6.397 19.403 26.821 1.00 16.50 0 A 1 ATOM 665 C CB . LYS . . 79 ? 3.504 19.835 27.109 1.00 15.80 0 A 1 ATOM 666 C CG . LYS . . 79 ? 2.028 19.608 27.214 1.00 23.23 0 A 1 ATOM 667 C CD . LYS . . 79 ? 1.601 18.462 28.079 1.00 29.98 0 A 1 ATOM 668 C CE . LYS . . 79 ? 0.129 18.607 28.515 1.00 33.43 0 A 1 ATOM 669 N NZ . LYS . . 79 ? -0.611 17.325 28.423 1.00 34.82 1 A 1 ATOM 670 N N . VAL . . 80 ? 5.991 19.037 24.633 1.00 12.30 0 A 1 ATOM 671 C CA . VAL . . 80 ? 7.394 19.138 24.229 1.00 11.71 0 A 1 ATOM 672 C C . VAL . . 80 ? 7.548 20.298 23.257 1.00 11.07 0 A 1 ATOM 673 O O . VAL . . 80 ? 6.597 20.784 22.643 1.00 11.56 0 A 1 ATOM 674 C CB . VAL . . 80 ? 7.882 17.810 23.574 1.00 11.15 0 A 1 ATOM 675 C CG1 . VAL . . 80 ? 7.627 16.588 24.519 1.00 12.58 0 A 1 ATOM 676 C CG2 . VAL . . 80 ? 7.216 17.556 22.233 1.00 12.41 0 A 1 ATOM 677 N N A LYS . . 81 ? 8.795 20.739 23.166 0.50 10.51 0 A 1 ATOM 678 N N B LYS . . 81 ? 8.793 20.725 23.151 0.50 10.72 0 A 1 ATOM 679 C CA A LYS . . 81 ? 9.221 21.686 22.136 0.50 10.16 0 A 1 ATOM 680 C CA B LYS . . 81 ? 9.188 21.672 22.124 0.50 10.71 0 A 1 ATOM 681 C C A LYS . . 81 ? 9.983 20.883 21.101 0.50 10.42 0 A 1 ATOM 682 C C B LYS . . 81 ? 10.005 20.919 21.094 0.50 10.64 0 A 1 ATOM 683 O O A LYS . . 81 ? 10.929 20.181 21.428 0.50 10.59 0 A 1 ATOM 684 O O B LYS . . 81 ? 11.017 20.306 21.415 0.50 11.05 0 A 1 ATOM 685 C CB A LYS . . 81 ? 10.135 22.769 22.734 0.50 12.47 0 A 1 ATOM 686 C CB B LYS . . 81 ? 10.027 22.793 22.722 0.50 13.13 0 A 1 ATOM 687 C CG A LYS . . 81 ? 9.490 23.598 23.812 0.50 14.37 0 A 1 ATOM 688 C CG B LYS . . 81 ? 10.170 23.933 21.779 0.50 16.29 0 A 1 ATOM 689 C CD A LYS . . 81 ? 8.508 24.588 23.255 0.50 16.59 0 A 1 ATOM 690 C CD B LYS . . 81 ? 9.203 24.987 22.185 0.50 22.02 0 A 1 ATOM 691 C CE A LYS . . 81 ? 7.856 25.366 24.406 0.50 17.10 0 A 1 ATOM 692 C CE B LYS . . 81 ? 9.538 25.513 23.571 0.50 24.06 0 A 1 ATOM 693 N NZ A LYS . . 81 ? 6.858 26.389 23.958 0.50 17.49 1 A 1 ATOM 694 N NZ B LYS . . 81 ? 8.409 26.317 24.055 0.50 25.57 1 A 1 ATOM 695 N N . SER . . 82 ? 9.544 20.945 19.854 1.00 9.38 0 A 1 ATOM 696 C CA . SER . . 82 ? 10.074 20.104 18.795 1.00 9.49 0 A 1 ATOM 697 C C . SER . . 82 ? 10.665 20.950 17.676 1.00 8.43 0 A 1 ATOM 698 O O . SER . . 82 ? 10.141 22.013 17.320 1.00 9.18 0 A 1 ATOM 699 C CB . SER . . 82 ? 8.895 19.299 18.236 1.00 10.14 0 A 1 ATOM 700 O OG . SER . . 82 ? 8.555 18.303 19.185 1.00 12.58 0 A 1 ATOM 701 N N . THR . . 83 ? 11.732 20.416 17.103 1.00 8.37 0 A 1 ATOM 702 C CA . THR . . 83 ? 12.310 20.949 15.877 1.00 8.69 0 A 1 ATOM 703 C C . THR . . 83 ? 12.584 19.782 14.953 1.00 9.18 0 A 1 ATOM 704 O O . THR . . 83 ? 13.160 18.778 15.374 1.00 9.92 0 A 1 ATOM 705 C CB . THR . . 83 ? 13.540 21.750 16.136 1.00 10.13 0 A 1 ATOM 706 C CG2 . THR . . 83 ? 13.952 22.478 14.894 1.00 13.49 0 A 1 ATOM 707 O OG1 . THR . . 83 ? 13.360 22.665 17.200 1.00 13.08 0 A 1 ATOM 708 N N . ILE . . 84 ? 12.152 19.904 13.697 1.00 9.17 0 A 1 ATOM 709 C CA . ILE . . 84 ? 12.393 18.895 12.685 1.00 8.83 0 A 1 ATOM 710 C C . ILE . . 84 ? 13.211 19.480 11.560 1.00 8.34 0 A 1 ATOM 711 O O . ILE . . 84 ? 12.867 20.563 11.055 1.00 9.63 0 A 1 ATOM 712 C CB . ILE . . 84 ? 11.049 18.266 12.175 1.00 8.41 0 A 1 ATOM 713 C CG1 . ILE . . 84 ? 10.213 17.651 13.330 1.00 8.58 0 A 1 ATOM 714 C CG2 . ILE . . 84 ? 11.354 17.200 11.132 1.00 9.86 0 A 1 ATOM 715 C CD1 . ILE . . 84 ? 8.911 17.077 13.038 1.00 8.98 0 A 1 ATOM 716 N N . THR . . 85 ? 14.314 18.817 11.211 1.00 8.48 0 A 1 ATOM 717 C CA . THR . . 85 ? 15.185 19.204 10.138 1.00 10.01 0 A 1 ATOM 718 C C . THR . . 85 ? 15.408 18.028 9.216 1.00 10.66 0 A 1 ATOM 719 O O . THR . . 85 ? 15.086 16.912 9.541 1.00 10.95 0 A 1 ATOM 720 C CB . THR . . 85 ? 16.479 19.760 10.679 1.00 9.76 0 A 1 ATOM 721 C CG2 . THR . . 85 ? 16.295 21.003 11.501 1.00 14.40 0 A 1 ATOM 722 O OG1 . THR . . 85 ? 17.087 18.720 11.472 1.00 13.98 0 A 1 ATOM 723 N N A LEU . . 86 ? 16.208 18.257 8.185 0.50 10.43 0 A 1 ATOM 724 N N B LEU . . 86 ? 15.756 18.334 7.970 0.50 11.44 0 A 1 ATOM 725 C CA A LEU . . 86 ? 16.745 17.164 7.378 0.50 11.48 0 A 1 ATOM 726 C CA B LEU . . 86 ? 16.146 17.338 6.980 0.50 11.87 0 A 1 ATOM 727 C C A LEU . . 86 ? 18.236 17.048 7.628 0.50 11.54 0 A 1 ATOM 728 C C B LEU . . 86 ? 17.645 17.350 6.892 0.50 13.07 0 A 1 ATOM 729 O O A LEU . . 86 ? 18.921 18.096 7.630 0.50 13.08 0 A 1 ATOM 730 O O B LEU . . 86 ? 18.267 18.364 6.509 0.50 15.98 0 A 1 ATOM 731 C CB A LEU . . 86 ? 16.518 17.383 5.909 0.50 11.85 0 A 1 ATOM 732 C CB B LEU . . 86 ? 15.544 17.629 5.591 0.50 13.17 0 A 1 ATOM 733 C CG A LEU . . 86 ? 15.120 17.088 5.409 0.50 11.86 0 A 1 ATOM 734 C CG B LEU . . 86 ? 14.304 16.892 5.064 0.50 16.13 0 A 1 ATOM 735 C CD1 A LEU . . 86 ? 14.873 17.781 4.045 0.50 14.01 0 A 1 ATOM 736 C CD1 B LEU . . 86 ? 13.942 17.403 3.671 0.50 16.42 0 A 1 ATOM 737 C CD2 A LEU . . 86 ? 14.928 15.556 5.301 0.50 10.47 0 A 1 ATOM 738 C CD2 B LEU . . 86 ? 14.468 15.374 5.037 0.50 14.89 0 A 1 ATOM 739 N N A ASP . . 87 ? 18.731 15.811 7.816 0.50 11.45 0 A 1 ATOM 740 N N B ASP . . 87 ? 18.244 16.227 7.257 0.50 12.72 0 A 1 ATOM 741 C CA A ASP . . 87 ? 20.162 15.456 7.844 0.50 12.75 0 A 1 ATOM 742 C CA B ASP . . 87 ? 19.668 16.094 7.321 0.50 14.13 0 A 1 ATOM 743 C C A ASP . . 87 ? 20.402 14.512 6.687 0.50 12.25 0 A 1 ATOM 744 C C B ASP . . 87 ? 20.074 14.955 6.413 0.50 13.66 0 A 1 ATOM 745 O O A ASP . . 87 ? 20.192 13.302 6.795 0.50 13.26 0 A 1 ATOM 746 O O B ASP . . 87 ? 19.761 13.791 6.687 0.50 14.09 0 A 1 ATOM 747 C CB A ASP . . 87 ? 20.606 14.797 9.174 0.50 13.76 0 A 1 ATOM 748 C CB B ASP . . 87 ? 20.126 15.824 8.756 0.50 15.00 0 A 1 ATOM 749 C CG A ASP . . 87 ? 22.085 14.373 9.175 0.50 17.26 0 A 1 ATOM 750 C CG B ASP . . 87 ? 21.650 15.690 8.877 0.50 19.14 0 A 1 ATOM 751 O OD1 A ASP . . 87 ? 22.835 14.798 8.285 0.50 21.11 0 A 1 ATOM 752 O OD1 B ASP . . 87 ? 22.384 16.270 8.046 0.50 23.57 0 A 1 ATOM 753 O OD2 A ASP . . 87 ? 22.503 13.618 10.088 0.50 22.85 -1 A 1 ATOM 754 O OD2 B ASP . . 87 ? 22.121 15.008 9.807 0.50 23.64 -1 A 1 ATOM 755 N N A GLY . . 88 ? 20.888 15.074 5.583 0.50 13.79 0 A 1 ATOM 756 N N B GLY . . 88 ? 20.748 15.281 5.309 0.50 14.15 0 A 1 ATOM 757 C CA A GLY . . 88 ? 20.819 14.377 4.320 0.50 14.22 0 A 1 ATOM 758 C CA B GLY . . 88 ? 21.167 14.225 4.421 0.50 14.56 0 A 1 ATOM 759 C C A GLY . . 88 ? 19.402 14.064 3.899 0.50 13.69 0 A 1 ATOM 760 C C B GLY . . 88 ? 19.997 13.304 4.094 0.50 13.92 0 A 1 ATOM 761 O O A GLY . . 88 ? 18.577 14.962 3.749 0.50 13.34 0 A 1 ATOM 762 O O B GLY . . 88 ? 20.157 12.098 4.065 0.50 13.61 0 A 1 ATOM 763 N N A GLY . . 89 ? 19.138 12.778 3.704 0.50 12.99 0 A 1 ATOM 764 N N B GLY . . 89 ? 18.815 13.854 3.837 0.50 12.94 0 A 1 ATOM 765 C CA A GLY . . 89 ? 17.801 12.247 3.440 0.50 13.41 0 A 1 ATOM 766 C CA B GLY . . 89 ? 17.680 13.039 3.489 0.50 12.62 0 A 1 ATOM 767 C C A GLY . . 89 ? 17.054 11.798 4.680 0.50 12.30 0 A 1 ATOM 768 C C B GLY . . 89 ? 16.897 12.315 4.610 0.50 12.41 0 A 1 ATOM 769 O O A GLY . . 89 ? 16.122 10.984 4.603 0.50 12.67 0 A 1 ATOM 770 O O B GLY . . 89 ? 15.815 11.774 4.345 0.50 12.29 0 A 1 ATOM 771 N N . VAL . . 90 ? 17.436 12.312 5.852 1.00 12.43 0 A 1 ATOM 772 C CA . VAL . . 90 ? 16.771 11.818 7.092 1.00 11.27 0 A 1 ATOM 773 C C . VAL . . 90 ? 16.018 12.979 7.745 1.00 8.87 0 A 1 ATOM 774 O O . VAL . . 90 ? 16.589 14.049 7.964 1.00 10.53 0 A 1 ATOM 775 C CB . VAL . . 90 ? 17.853 11.241 8.069 1.00 11.50 0 A 1 ATOM 776 C CG1 . VAL . . 90 ? 17.212 10.718 9.341 1.00 14.08 0 A 1 ATOM 777 C CG2 . VAL . . 90 ? 18.692 10.195 7.388 1.00 14.86 0 A 1 ATOM 778 N N . LEU . . 91 ? 14.758 12.761 8.037 1.00 9.22 0 A 1 ATOM 779 C CA . LEU . . 91 ? 13.980 13.715 8.837 1.00 9.25 0 A 1 ATOM 780 C C . LEU . . 91 ? 14.401 13.453 10.282 1.00 9.71 0 A 1 ATOM 781 O O . LEU . . 91 ? 14.209 12.359 10.816 1.00 9.87 0 A 1 ATOM 782 C CB . LEU . . 91 ? 12.490 13.527 8.649 1.00 11.51 0 A 1 ATOM 783 C CG . LEU . . 91 ? 11.905 14.123 7.397 1.00 13.13 0 A 1 ATOM 784 C CD1 . LEU . . 91 ? 10.555 13.551 7.232 1.00 16.50 0 A 1 ATOM 785 C CD2 . LEU . . 91 ? 11.863 15.662 7.565 1.00 13.84 0 A 1 ATOM 786 N N . VAL . . 92 ? 14.903 14.482 10.949 1.00 9.55 0 A 1 ATOM 787 C CA . VAL . . 92 ? 15.364 14.375 12.327 1.00 9.26 0 A 1 ATOM 788 C C . VAL . . 92 ? 14.491 15.245 13.200 1.00 9.21 0 A 1 ATOM 789 O O . VAL . . 92 ? 14.436 16.465 13.013 1.00 11.21 0 A 1 ATOM 790 C CB . VAL . . 92 ? 16.831 14.833 12.412 1.00 10.89 0 A 1 ATOM 791 C CG1 . VAL . . 92 ? 17.353 14.745 13.848 1.00 14.02 0 A 1 ATOM 792 C CG2 . VAL . . 92 ? 17.735 14.022 11.475 1.00 11.95 0 A 1 ATOM 793 N N . HIS . . 93 ? 13.784 14.608 14.114 1.00 9.02 0 A 1 ATOM 794 C CA . HIS . . 93 ? 12.777 15.226 14.997 1.00 8.07 0 A 1 ATOM 795 C C . HIS . . 93 ? 13.298 15.178 16.402 1.00 9.19 0 A 1 ATOM 796 O O . HIS . . 93 ? 13.416 14.127 17.000 1.00 10.40 0 A 1 ATOM 797 C CB . HIS . . 93 ? 11.480 14.493 14.794 1.00 8.54 0 A 1 ATOM 798 C CG . HIS . . 93 ? 10.297 14.929 15.557 1.00 8.38 0 A 1 ATOM 799 C CD2 . HIS . . 93 ? 10.087 15.908 16.479 1.00 11.66 0 A 1 ATOM 800 N ND1 . HIS . . 93 ? 9.137 14.228 15.425 1.00 11.75 0 A 1 ATOM 801 C CE1 . HIS . . 93 ? 8.230 14.757 16.216 1.00 13.51 0 A 1 ATOM 802 N NE2 . HIS . . 93 ? 8.775 15.788 16.855 1.00 13.23 0 A 1 ATOM 803 N N . VAL . . 94 ? 13.610 16.350 16.988 1.00 8.55 0 A 1 ATOM 804 C CA . VAL . . 94 ? 14.079 16.454 18.371 1.00 9.19 0 A 1 ATOM 805 C C . VAL . . 94 ? 13.012 17.035 19.210 1.00 9.02 0 A 1 ATOM 806 O O . VAL . . 94 ? 12.454 18.087 18.902 1.00 10.76 0 A 1 ATOM 807 C CB . VAL . . 94 ? 15.391 17.278 18.445 1.00 10.67 0 A 1 ATOM 808 C CG1 . VAL . . 94 ? 15.892 17.318 19.841 1.00 13.35 0 A 1 ATOM 809 C CG2 . VAL . . 94 ? 16.415 16.687 17.471 1.00 11.19 0 A 1 ATOM 810 N N . GLN . . 95 ? 12.701 16.337 20.307 1.00 9.77 0 A 1 ATOM 811 C CA . GLN . . 95 ? 11.718 16.764 21.283 1.00 10.38 0 A 1 ATOM 812 C C . GLN . . 95 ? 12.389 17.062 22.589 1.00 10.05 0 A 1 ATOM 813 O O . GLN . . 95 ? 13.132 16.237 23.115 1.00 11.34 0 A 1 ATOM 814 C CB . GLN . . 95 ? 10.673 15.664 21.554 1.00 10.27 0 A 1 ATOM 815 C CG . GLN . . 95 ? 9.817 15.231 20.364 1.00 10.26 0 A 1 ATOM 816 C CD . GLN . . 95 ? 8.909 14.058 20.629 1.00 9.85 0 A 1 ATOM 817 N NE2 . GLN . . 95 ? 7.829 13.944 19.864 1.00 10.38 0 A 1 ATOM 818 O OE1 . GLN . . 95 ? 9.179 13.234 21.515 1.00 11.78 0 A 1 ATOM 819 N N . LYS . . 96 ? 12.092 18.244 23.145 1.00 11.46 0 A 1 ATOM 820 C CA . LYS . . 96 ? 12.643 18.720 24.431 1.00 13.12 0 A 1 ATOM 821 C C . LYS . . 96 ? 11.542 18.970 25.433 1.00 12.66 0 A 1 ATOM 822 O O . LYS . . 96 ? 10.560 19.627 25.135 1.00 13.08 0 A 1 ATOM 823 C CB . LYS . . 96 ? 13.411 20.031 24.223 1.00 14.15 0 A 1 ATOM 824 C CG . LYS . . 96 ? 14.453 20.008 23.182 1.00 17.80 0 A 1 ATOM 825 C CD . LYS . . 96 ? 15.648 19.199 23.521 1.00 19.29 0 A 1 ATOM 826 C CE . LYS . . 96 ? 16.863 19.453 22.623 1.00 19.90 0 A 1 ATOM 827 N NZ . LYS . . 96 ? 18.046 18.643 22.945 1.00 21.99 1 A 1 ATOM 828 N N . TRP . . 97 ? 11.731 18.445 26.650 1.00 13.48 0 A 1 ATOM 829 C CA . TRP . . 97 ? 10.747 18.665 27.728 1.00 14.51 0 A 1 ATOM 830 C C . TRP . . 97 ? 11.409 18.349 29.036 1.00 15.77 0 A 1 ATOM 831 O O . TRP . . 97 ? 12.211 17.445 29.128 1.00 16.76 0 A 1 ATOM 832 C CB . TRP . . 97 ? 9.490 17.787 27.539 1.00 14.41 0 A 1 ATOM 833 C CG . TRP . . 97 ? 9.658 16.361 27.936 1.00 14.91 0 A 1 ATOM 834 C CD1 . TRP . . 97 ? 9.149 15.763 29.032 1.00 14.27 0 A 1 ATOM 835 C CD2 . TRP . . 97 ? 10.447 15.379 27.279 1.00 13.56 0 A 1 ATOM 836 C CE2 . TRP . . 97 ? 10.340 14.197 28.027 1.00 13.97 0 A 1 ATOM 837 C CE3 . TRP . . 97 ? 11.175 15.358 26.104 1.00 13.79 0 A 1 ATOM 838 N NE1 . TRP . . 97 ? 9.519 14.465 29.093 1.00 14.22 0 A 1 ATOM 839 C CZ2 . TRP . . 97 ? 10.994 13.013 27.657 1.00 14.22 0 A 1 ATOM 840 C CZ3 . TRP . . 97 ? 11.819 14.181 25.738 1.00 11.88 0 A 1 ATOM 841 C CH2 . TRP . . 97 ? 11.711 13.026 26.513 1.00 13.84 0 A 1 ATOM 842 N N . ASP . . 98 ? 11.130 19.154 30.058 1.00 18.37 0 A 1 ATOM 843 C CA . ASP . . 98 ? 11.592 18.804 31.434 1.00 20.86 0 A 1 ATOM 844 C C . ASP . . 98 ? 13.092 18.567 31.522 1.00 20.52 0 A 1 ATOM 845 O O . ASP . . 98 ? 13.575 17.703 32.280 1.00 23.26 0 A 1 ATOM 846 C CB . ASP . . 98 ? 10.840 17.563 31.896 1.00 22.87 0 A 1 ATOM 847 C CG . ASP . . 98 ? 9.773 17.880 32.853 1.00 30.14 0 A 1 ATOM 848 O OD1 . ASP . . 98 ? 10.163 18.130 34.028 1.00 35.16 0 A 1 ATOM 849 O OD2 . ASP . . 98 ? 8.581 17.863 32.429 1.00 37.63 -1 A 1 ATOM 850 N N . GLY . . 99 ? 13.864 19.313 30.746 1.00 19.97 0 A 1 ATOM 851 C CA . GLY . . 99 ? 15.292 19.082 30.701 1.00 20.72 0 A 1 ATOM 852 C C . GLY . . 99 ? 15.788 17.825 30.024 1.00 20.14 0 A 1 ATOM 853 O O . GLY . . 99 ? 16.987 17.581 30.013 1.00 22.96 0 A 1 ATOM 854 N N . LYS . . 100 ? 14.884 17.072 29.389 1.00 17.66 0 A 1 ATOM 855 C CA . LYS . . 100 ? 15.160 15.808 28.680 1.00 16.27 0 A 1 ATOM 856 C C . LYS . . 100 ? 15.085 16.056 27.175 1.00 14.11 0 A 1 ATOM 857 O O . LYS . . 100 ? 14.541 17.059 26.737 1.00 13.56 0 A 1 ATOM 858 C CB . LYS . . 100 ? 14.104 14.774 29.083 1.00 16.38 0 A 1 ATOM 859 C CG . LYS . . 100 ? 14.098 14.453 30.591 1.00 21.53 0 A 1 ATOM 860 C CD . LYS . . 100 ? 12.903 13.570 30.959 1.00 24.79 0 A 1 ATOM 861 C CE . LYS . . 100 ? 12.641 13.444 32.459 1.00 28.25 0 A 1 ATOM 862 N NZ . LYS . . 100 ? 11.237 13.007 32.696 1.00 34.69 1 A 1 ATOM 863 N N . SER . . 101 ? 15.611 15.119 26.402 1.00 13.56 0 A 1 ATOM 864 C CA . SER . . 101 ? 15.546 15.217 24.948 1.00 13.73 0 A 1 ATOM 865 C C . SER . . 101 ? 15.461 13.818 24.374 1.00 11.67 0 A 1 ATOM 866 O O . SER . . 101 ? 16.096 12.920 24.864 1.00 13.04 0 A 1 ATOM 867 C CB . SER . . 101 ? 16.831 15.893 24.452 1.00 15.77 0 A 1 ATOM 868 O OG . SER . . 101 ? 16.902 16.052 23.072 1.00 17.66 0 A 1 ATOM 869 N N . THR . . 102 ? 14.705 13.662 23.294 1.00 10.41 0 A 1 ATOM 870 C CA . THR . . 102 ? 14.654 12.423 22.527 1.00 9.08 0 A 1 ATOM 871 C C . THR . . 102 ? 14.639 12.802 21.051 1.00 9.78 0 A 1 ATOM 872 O O . THR . . 102 ? 14.140 13.869 20.685 1.00 10.72 0 A 1 ATOM 873 C CB . THR . . 102 ? 13.417 11.590 22.919 1.00 10.49 0 A 1 ATOM 874 C CG2 . THR . . 102 ? 12.057 12.231 22.567 1.00 10.16 0 A 1 ATOM 875 O OG1 . THR . . 102 ? 13.512 10.288 22.301 1.00 11.22 0 A 1 ATOM 876 N N . THR . . 103 ? 15.175 11.902 20.226 1.00 9.77 0 A 1 ATOM 877 C CA . THR . . 103 ? 15.286 12.140 18.799 1.00 10.26 0 A 1 ATOM 878 C C . THR . . 103 ? 14.608 10.970 18.059 1.00 10.20 0 A 1 ATOM 879 O O . THR . . 103 ? 14.892 9.806 18.345 1.00 12.30 0 A 1 ATOM 880 C CB . THR . . 103 ? 16.765 12.284 18.369 1.00 11.57 0 A 1 ATOM 881 C CG2 . THR . . 103 ? 16.856 12.527 16.885 1.00 13.08 0 A 1 ATOM 882 O OG1 . THR . . 103 ? 17.339 13.405 19.047 1.00 15.15 0 A 1 ATOM 883 N N . ILE . . 104 ? 13.754 11.333 17.117 1.00 9.52 0 A 1 ATOM 884 C CA . ILE . . 104 ? 13.072 10.417 16.220 1.00 10.89 0 A 1 ATOM 885 C C . ILE . . 104 ? 13.578 10.708 14.832 1.00 9.97 0 A 1 ATOM 886 O O . ILE . . 104 ? 13.448 11.829 14.349 1.00 9.87 0 A 1 ATOM 887 C CB . ILE . . 104 ? 11.537 10.617 16.306 1.00 11.48 0 A 1 ATOM 888 C CG1 . ILE . . 104 ? 11.037 10.328 17.731 1.00 11.24 0 A 1 ATOM 889 C CG2 . ILE . . 104 ? 10.860 9.681 15.308 1.00 12.78 0 A 1 ATOM 890 C CD1 . ILE . . 104 ? 9.621 10.774 17.930 1.00 16.03 0 A 1 ATOM 891 N N . LYS . . 105 ? 14.149 9.714 14.178 1.00 9.37 0 A 1 ATOM 892 C CA . LYS . . 105 ? 14.609 9.804 12.815 1.00 9.66 0 A 1 ATOM 893 C C . LYS . . 105 ? 13.763 9.001 11.897 1.00 9.35 0 A 1 ATOM 894 O O . LYS . . 105 ? 13.343 7.888 12.257 1.00 11.11 0 A 1 ATOM 895 C CB . LYS . . 105 ? 16.066 9.306 12.726 1.00 10.55 0 A 1 ATOM 896 C CG . LYS . . 105 ? 17.084 10.219 13.470 1.00 14.19 0 A 1 ATOM 897 C CD . LYS . . 105 ? 18.531 9.781 13.314 1.00 18.35 0 A 1 ATOM 898 C CE . LYS . . 105 ? 19.472 10.821 14.027 1.00 20.88 0 A 1 ATOM 899 N NZ . LYS . . 105 ? 20.941 10.563 13.931 1.00 25.97 1 A 1 ATOM 900 N N . ARG . . 106 ? 13.418 9.547 10.732 1.00 9.33 0 A 1 ATOM 901 C CA . ARG . . 106 ? 12.612 8.870 9.747 1.00 9.43 0 A 1 ATOM 902 C C . ARG . . 106 ? 13.461 8.858 8.458 1.00 9.69 0 A 1 ATOM 903 O O . ARG . . 106 ? 13.914 9.894 7.999 1.00 10.33 0 A 1 ATOM 904 C CB . ARG . . 106 ? 11.286 9.628 9.540 1.00 9.59 0 A 1 ATOM 905 C CG . ARG . . 106 ? 10.381 9.595 10.802 1.00 11.84 0 A 1 ATOM 906 C CD . ARG . . 106 ? 9.154 10.542 10.629 1.00 14.84 0 A 1 ATOM 907 N NE . ARG . . 106 ? 8.127 10.473 11.714 1.00 17.76 0 A 1 ATOM 908 C CZ . ARG . . 106 ? 8.139 11.262 12.788 1.00 16.06 0 A 1 ATOM 909 N NH1 . ARG . . 106 ? 9.126 12.113 13.027 1.00 15.51 1 A 1 ATOM 910 N NH2 . ARG . . 106 ? 7.183 11.130 13.689 1.00 20.48 0 A 1 ATOM 911 N N . LYS . . 107 ? 13.592 7.679 7.846 1.00 9.84 0 A 1 ATOM 912 C CA . LYS . . 107 ? 14.414 7.504 6.664 1.00 11.43 0 A 1 ATOM 913 C C . LYS . . 107 ? 13.790 6.472 5.720 1.00 12.09 0 A 1 ATOM 914 O O . LYS . . 107 ? 13.271 5.454 6.151 1.00 12.79 0 A 1 ATOM 915 C CB . LYS . . 107 ? 15.800 7.011 7.071 1.00 13.51 0 A 1 ATOM 916 C CG . LYS . . 107 ? 16.870 7.105 5.956 1.00 16.52 0 A 1 ATOM 917 C CD . LYS . . 107 ? 18.247 6.659 6.387 1.00 18.80 0 A 1 ATOM 918 C CE . LYS . . 107 ? 19.322 7.172 5.392 1.00 22.67 0 A 1 ATOM 919 N NZ . LYS . . 107 ? 20.665 6.704 5.708 1.00 28.61 1 A 1 ATOM 920 N N . ARG . . 108 ? 13.897 6.726 4.424 1.00 10.97 0 A 1 ATOM 921 C CA . ARG . . 108 ? 13.480 5.742 3.446 1.00 10.43 0 A 1 ATOM 922 C C . ARG . . 108 ? 14.592 4.695 3.285 1.00 10.69 0 A 1 ATOM 923 O O . ARG . . 108 ? 15.748 5.037 3.084 1.00 12.95 0 A 1 ATOM 924 C CB . ARG . . 108 ? 13.180 6.421 2.105 1.00 11.35 0 A 1 ATOM 925 C CG . ARG . . 108 ? 11.835 7.076 2.086 1.00 13.56 0 A 1 ATOM 926 C CD . ARG . . 108 ? 10.600 6.132 2.156 1.00 15.61 0 A 1 ATOM 927 N NE . ARG . . 108 ? 10.718 5.044 1.158 1.00 17.96 0 A 1 ATOM 928 C CZ . ARG . . 108 ? 10.470 5.179 -0.138 1.00 17.53 0 A 1 ATOM 929 N NH1 . ARG . . 108 ? 9.914 6.276 -0.607 1.00 16.98 1 A 1 ATOM 930 N NH2 . ARG . . 108 ? 10.680 4.183 -0.979 1.00 21.52 0 A 1 ATOM 931 N N . GLU . . 109 ? 14.195 3.435 3.295 1.00 11.35 0 A 1 ATOM 932 C CA . GLU . . 109 ? 15.095 2.313 3.064 1.00 12.30 0 A 1 ATOM 933 C C . GLU . . 109 ? 14.349 1.353 2.213 1.00 10.88 0 A 1 ATOM 934 O O . GLU . . 109 ? 13.374 0.781 2.658 1.00 11.24 0 A 1 ATOM 935 C CB . GLU . . 109 ? 15.454 1.610 4.382 1.00 15.35 0 A 1 ATOM 936 C CG . GLU . . 109 ? 16.132 2.475 5.396 1.00 20.36 0 A 1 ATOM 937 C CD . GLU . . 109 ? 17.554 2.702 5.075 1.00 24.23 0 A 1 ATOM 938 O OE1 . GLU . . 109 ? 18.226 3.427 5.846 1.00 29.11 0 A 1 ATOM 939 O OE2 . GLU . . 109 ? 18.033 2.143 4.054 1.00 30.27 -1 A 1 ATOM 940 N N . ASP . . 110 ? 14.775 1.134 0.982 1.00 11.40 0 A 1 ATOM 941 C CA . ASP . . 110 ? 14.025 0.333 0.031 1.00 11.85 0 A 1 ATOM 942 C C . ASP . . 110 ? 12.626 0.901 -0.053 1.00 10.96 0 A 1 ATOM 943 O O . ASP . . 110 ? 12.458 2.103 -0.161 1.00 11.98 0 A 1 ATOM 944 C CB . ASP . . 110 ? 14.156 -1.174 0.348 1.00 12.66 0 A 1 ATOM 945 C CG . ASP . . 110 ? 15.592 -1.666 0.282 1.00 16.74 0 A 1 ATOM 946 O OD1 . ASP . . 110 ? 16.344 -1.172 -0.571 1.00 17.69 0 A 1 ATOM 947 O OD2 . ASP . . 110 ? 15.955 -2.535 1.102 1.00 21.71 -1 A 1 ATOM 948 N N . ASP . . 111 ? 11.568 0.078 -0.025 1.00 11.42 0 A 1 ATOM 949 C CA . ASP . . 111 ? 10.201 0.540 -0.089 1.00 11.18 0 A 1 ATOM 950 C C . ASP . . 111 ? 9.594 0.868 1.281 1.00 10.94 0 A 1 ATOM 951 O O . ASP . . 111 ? 8.428 1.169 1.359 1.00 13.22 0 A 1 ATOM 952 C CB . ASP . . 111 ? 9.300 -0.489 -0.817 1.00 11.88 0 A 1 ATOM 953 C CG . ASP . . 111 ? 9.634 -0.584 -2.283 1.00 13.73 0 A 1 ATOM 954 O OD1 . ASP . . 111 ? 9.849 0.478 -2.893 1.00 15.76 0 A 1 ATOM 955 O OD2 . ASP . . 111 ? 9.692 -1.705 -2.816 1.00 16.46 -1 A 1 ATOM 956 N N . LYS . . 112 ? 10.457 0.874 2.318 1.00 11.69 0 A 1 ATOM 957 C CA A LYS . . 112 ? 10.043 1.069 3.715 0.50 11.53 0 A 1 ATOM 958 C CA B LYS . . 112 ? 9.929 1.119 3.649 0.50 11.52 0 A 1 ATOM 959 C C . LYS . . 112 ? 10.332 2.467 4.175 1.00 10.86 0 A 1 ATOM 960 O O . LYS . . 112 ? 11.163 3.143 3.621 1.00 11.84 0 A 1 ATOM 961 C CB A LYS . . 112 ? 10.832 0.118 4.630 0.50 11.52 0 A 1 ATOM 962 C CB B LYS . . 112 ? 10.403 -0.007 4.550 0.50 12.25 0 A 1 ATOM 963 C CG A LYS . . 112 ? 10.562 -1.387 4.425 0.50 13.14 0 A 1 ATOM 964 C CG B LYS . . 112 ? 10.060 -1.380 3.995 0.50 13.58 0 A 1 ATOM 965 C CD A LYS . . 112 ? 9.081 -1.741 4.359 0.50 17.07 0 A 1 ATOM 966 C CD B LYS . . 112 ? 10.460 -2.488 4.924 0.50 18.53 0 A 1 ATOM 967 C CE A LYS . . 112 ? 8.892 -3.235 4.622 0.50 19.47 0 A 1 ATOM 968 C CE B LYS . . 112 ? 10.170 -3.862 4.336 0.50 20.43 0 A 1 ATOM 969 N NZ A LYS . . 112 ? 7.526 -3.675 4.388 0.50 20.22 1 A 1 ATOM 970 N NZ B LYS . . 112 ? 10.305 -4.937 5.373 0.50 22.95 1 A 1 ATOM 971 N N . LEU . . 113 ? 9.619 2.854 5.218 1.00 9.26 0 A 1 ATOM 972 C CA A LEU . . 113 ? 9.949 4.059 5.985 0.50 9.19 0 A 1 ATOM 973 C CA B LEU . . 113 ? 9.937 4.037 5.996 0.50 9.78 0 A 1 ATOM 974 C C . LEU . . 113 ? 10.365 3.504 7.371 1.00 9.36 0 A 1 ATOM 975 O O . LEU . . 113 ? 9.558 2.920 8.072 1.00 11.23 0 A 1 ATOM 976 C CB A LEU . . 113 ? 8.776 5.057 5.996 0.50 10.41 0 A 1 ATOM 977 C CB B LEU . . 113 ? 8.713 4.929 6.078 0.50 11.09 0 A 1 ATOM 978 C CG A LEU . . 113 ? 9.031 6.495 6.481 0.50 9.35 0 A 1 ATOM 979 C CG B LEU . . 113 ? 8.953 6.171 6.906 0.50 12.81 0 A 1 ATOM 980 C CD1 A LEU . . 113 ? 7.856 7.376 6.119 0.50 10.07 0 A 1 ATOM 981 C CD1 B LEU . . 113 ? 10.220 6.936 6.328 0.50 13.95 0 A 1 ATOM 982 C CD2 A LEU . . 113 ? 9.271 6.458 7.989 0.50 12.31 0 A 1 ATOM 983 C CD2 B LEU . . 113 ? 7.685 6.982 6.922 0.50 16.96 0 A 1 ATOM 984 N N . VAL . . 114 ? 11.631 3.731 7.722 1.00 9.00 0 A 1 ATOM 985 C CA . VAL . . 114 ? 12.232 3.232 8.961 1.00 10.12 0 A 1 ATOM 986 C C . VAL . . 114 ? 12.292 4.389 9.929 1.00 10.02 0 A 1 ATOM 987 O O . VAL . . 114 ? 12.722 5.505 9.589 1.00 11.11 0 A 1 ATOM 988 C CB . VAL . . 114 ? 13.576 2.565 8.719 1.00 10.74 0 A 1 ATOM 989 C CG1 . VAL . . 114 ? 14.151 2.027 10.042 1.00 13.12 0 A 1 ATOM 990 C CG2 . VAL . . 114 ? 13.431 1.431 7.695 1.00 13.44 0 A 1 ATOM 991 N N . VAL . . 115 ? 11.830 4.122 11.145 1.00 10.05 0 A 1 ATOM 992 C CA . VAL . . 115 ? 11.769 5.108 12.216 1.00 9.91 0 A 1 ATOM 993 C C . VAL . . 115 ? 12.690 4.629 13.335 1.00 10.12 0 A 1 ATOM 994 O O . VAL . . 115 ? 12.542 3.530 13.846 1.00 13.28 0 A 1 ATOM 995 C CB . VAL . . 115 ? 10.316 5.346 12.685 1.00 11.13 0 A 1 ATOM 996 C CG1 . VAL . . 115 ? 10.211 6.479 13.734 1.00 14.22 0 A 1 ATOM 997 C CG2 . VAL . . 115 ? 9.438 5.695 11.506 1.00 13.58 0 A 1 ATOM 998 N N A GLU . . 116 ? 13.645 5.459 13.700 0.50 9.09 0 A 1 ATOM 999 N N B GLU . . 116 ? 13.619 5.466 13.748 0.50 9.98 0 A 1 ATOM 1000 C CA A GLU . . 116 ? 14.565 5.202 14.815 0.50 8.94 0 A 1 ATOM 1001 C CA B GLU . . 116 ? 14.539 5.151 14.849 0.50 10.63 0 A 1 ATOM 1002 C C A GLU . . 116 ? 14.167 6.201 15.918 0.50 9.28 0 A 1 ATOM 1003 C C B GLU . . 116 ? 14.364 6.159 15.950 0.50 10.02 0 A 1 ATOM 1004 O O A GLU . . 116 ? 13.976 7.388 15.667 0.50 9.49 0 A 1 ATOM 1005 O O B GLU . . 116 ? 14.691 7.330 15.748 0.50 8.42 0 A 1 ATOM 1006 C CB A GLU . . 116 ? 16.020 5.321 14.372 0.50 10.70 0 A 1 ATOM 1007 C CB B GLU . . 116 ? 15.967 5.245 14.417 0.50 12.57 0 A 1 ATOM 1008 C CG A GLU . . 116 ? 17.059 4.986 15.431 0.50 11.21 0 A 1 ATOM 1009 C CG B GLU . . 116 ? 16.569 4.042 13.908 0.50 16.34 0 A 1 ATOM 1010 C CD A GLU . . 116 ? 18.467 5.601 15.167 0.50 14.00 0 A 1 ATOM 1011 C CD B GLU . . 116 ? 18.066 4.111 14.055 0.50 19.18 0 A 1 ATOM 1012 O OE1 A GLU . . 116 ? 18.624 6.844 15.197 0.50 17.67 0 A 1 ATOM 1013 O OE1 B GLU . . 116 ? 18.599 5.125 14.567 0.50 20.86 0 A 1 ATOM 1014 O OE2 A GLU . . 116 ? 19.433 4.837 14.957 0.50 13.83 -1 A 1 ATOM 1015 O OE2 B GLU . . 116 ? 18.710 3.146 13.682 0.50 20.25 -1 A 1 ATOM 1016 N N . CYS . . 117 ? 13.918 5.683 17.105 1.00 9.72 0 A 1 ATOM 1017 C CA . CYS . . 117 ? 13.614 6.492 18.268 1.00 10.54 0 A 1 ATOM 1018 C C . CYS . . 117 ? 14.704 6.259 19.277 1.00 10.71 0 A 1 ATOM 1019 O O . CYS . . 117 ? 14.942 5.142 19.709 1.00 11.16 0 A 1 ATOM 1020 C CB . CYS . . 117 ? 12.237 6.040 18.873 1.00 12.06 0 A 1 ATOM 1021 S SG . CYS . . 117 ? 10.872 6.014 17.707 1.00 15.75 0 A 1 ATOM 1022 N N . VAL . . 118 ? 15.311 7.345 19.710 1.00 10.36 0 A 1 ATOM 1023 C CA . VAL . . 118 ? 16.474 7.278 20.549 1.00 10.36 0 A 1 ATOM 1024 C C . VAL . . 118 ? 16.280 8.127 21.813 1.00 10.98 0 A 1 ATOM 1025 O O . VAL . . 118 ? 15.929 9.317 21.738 1.00 11.54 0 A 1 ATOM 1026 C CB . VAL . . 118 ? 17.800 7.751 19.849 1.00 12.12 0 A 1 ATOM 1027 C CG1 . VAL . . 118 ? 18.888 7.839 20.794 1.00 15.73 0 A 1 ATOM 1028 C CG2 . VAL . . 118 ? 18.182 6.871 18.725 1.00 16.34 0 A 1 ATOM 1029 N N . MET . . 119 ? 16.519 7.498 22.952 1.00 11.35 0 A 1 ATOM 1030 C CA A MET . . 119 ? 16.561 8.219 24.217 0.50 12.68 0 A 1 ATOM 1031 C CA B MET . . 119 ? 16.487 8.175 24.259 0.50 12.57 0 A 1 ATOM 1032 C C . MET . . 119 ? 17.751 7.650 24.955 1.00 13.24 0 A 1 ATOM 1033 O O . MET . . 119 ? 17.795 6.502 25.349 1.00 12.56 0 A 1 ATOM 1034 C CB A MET . . 119 ? 15.257 8.032 24.983 0.50 12.55 0 A 1 ATOM 1035 C CB B MET . . 119 ? 15.172 7.788 24.995 0.50 12.40 0 A 1 ATOM 1036 C CG A MET . . 119 ? 15.296 8.500 26.427 0.50 14.81 0 A 1 ATOM 1037 C CG B MET . . 119 ? 14.862 8.498 26.328 0.50 13.24 0 A 1 ATOM 1038 S SD A MET . . 119 ? 14.360 10.003 26.582 0.50 16.05 0 A 1 ATOM 1039 S SD B MET . . 119 ? 15.103 10.279 26.176 0.50 12.07 0 A 1 ATOM 1040 C CE A MET . . 119 ? 15.338 10.869 27.839 0.50 15.38 0 A 1 ATOM 1041 C CE B MET . . 119 ? 14.629 10.798 27.892 0.50 12.20 0 A 1 ATOM 1042 N N . LYS . . 120 ? 18.737 8.516 25.088 1.00 15.78 0 A 1 ATOM 1043 C CA . LYS . . 120 ? 19.979 8.191 25.692 1.00 18.12 0 A 1 ATOM 1044 C C . LYS . . 120 ? 20.554 6.986 24.930 1.00 16.34 0 A 1 ATOM 1045 O O . LYS . . 120 ? 20.728 7.001 23.701 1.00 18.09 0 A 1 ATOM 1046 C CB . LYS . . 120 ? 19.794 8.005 27.214 1.00 17.44 0 A 1 ATOM 1047 C CG . LYS . . 120 ? 19.443 9.318 27.926 1.00 22.82 0 A 1 ATOM 1048 C CD . LYS . . 120 ? 18.593 9.124 29.160 1.00 27.51 0 A 1 ATOM 1049 C CE . LYS . . 120 ? 19.329 8.414 30.270 1.00 32.21 0 A 1 ATOM 1050 N NZ . LYS . . 120 ? 18.361 7.996 31.345 1.00 35.26 1 A 1 ATOM 1051 N N . GLY . . 121 ? 20.829 5.908 25.629 1.00 14.75 0 A 1 ATOM 1052 C CA . GLY . . 121 ? 21.447 4.748 24.978 1.00 14.33 0 A 1 ATOM 1053 C C . GLY . . 121 ? 20.447 3.761 24.475 1.00 13.23 0 A 1 ATOM 1054 O O . GLY . . 121 ? 20.805 2.701 24.020 1.00 13.79 0 A 1 ATOM 1055 N N . VAL . . 122 ? 19.155 4.079 24.577 1.00 12.36 0 A 1 ATOM 1056 C CA . VAL . . 122 ? 18.103 3.166 24.134 1.00 10.74 0 A 1 ATOM 1057 C C . VAL . . 122 ? 17.555 3.578 22.803 1.00 12.28 0 A 1 ATOM 1058 O O . VAL . . 122 ? 17.098 4.721 22.627 1.00 13.43 0 A 1 ATOM 1059 C CB . VAL . . 122 ? 16.988 3.053 25.163 1.00 11.46 0 A 1 ATOM 1060 C CG1 . VAL . . 122 ? 15.870 2.112 24.689 1.00 13.80 0 A 1 ATOM 1061 C CG2 . VAL . . 122 ? 17.538 2.577 26.520 1.00 13.35 0 A 1 ATOM 1062 N N . THR . . 123 ? 17.568 2.661 21.850 1.00 11.41 0 A 1 ATOM 1063 C CA . THR . . 123 ? 17.057 2.868 20.520 1.00 12.72 0 A 1 ATOM 1064 C C . THR . . 123 ? 15.914 1.872 20.255 1.00 11.69 0 A 1 ATOM 1065 O O . THR . . 123 ? 16.045 0.646 20.534 1.00 16.03 0 A 1 ATOM 1066 C CB . THR . . 123 ? 18.131 2.668 19.473 1.00 13.62 0 A 1 ATOM 1067 C CG2 . THR . . 123 ? 17.623 2.925 18.046 1.00 16.59 0 A 1 ATOM 1068 O OG1 . THR . . 123 ? 19.202 3.535 19.781 1.00 17.23 0 A 1 ATOM 1069 N N . SER . . 124 ? 14.871 2.326 19.640 1.00 10.48 0 A 1 ATOM 1070 C CA . SER . . 124 ? 13.826 1.491 19.093 1.00 10.04 0 A 1 ATOM 1071 C C . SER . . 124 ? 13.687 1.727 17.616 1.00 11.10 0 A 1 ATOM 1072 O O . SER . . 124 ? 13.750 2.853 17.160 1.00 12.60 0 A 1 ATOM 1073 C CB . SER . . 124 ? 12.468 1.779 19.758 1.00 10.85 0 A 1 ATOM 1074 O OG . SER . . 124 ? 11.375 1.187 19.103 1.00 12.01 0 A 1 ATOM 1075 N N . THR . . 125 ? 13.494 0.657 16.848 1.00 9.73 0 A 1 ATOM 1076 C CA . THR . . 125 ? 13.352 0.725 15.411 1.00 10.88 0 A 1 ATOM 1077 C C . THR . . 125 ? 11.986 0.251 15.017 1.00 10.41 0 A 1 ATOM 1078 O O . THR . . 125 ? 11.534 -0.836 15.420 1.00 11.49 0 A 1 ATOM 1079 C CB . THR . . 125 ? 14.381 -0.168 14.704 1.00 12.04 0 A 1 ATOM 1080 C CG2 . THR . . 125 ? 14.253 -0.111 13.214 1.00 16.00 0 A 1 ATOM 1081 O OG1 . THR . . 125 ? 15.670 0.297 15.063 1.00 16.37 0 A 1 ATOM 1082 N N . ARG . . 126 ? 11.273 1.090 14.293 1.00 10.54 0 A 1 ATOM 1083 C CA . ARG . . 126 ? 9.942 0.792 13.839 1.00 11.41 0 A 1 ATOM 1084 C C . ARG . . 126 ? 9.922 0.847 12.333 1.00 11.01 0 A 1 ATOM 1085 O O . ARG . . 126 ? 10.499 1.728 11.758 1.00 15.21 0 A 1 ATOM 1086 C CB . ARG . . 126 ? 8.963 1.747 14.458 1.00 12.45 0 A 1 ATOM 1087 C CG . ARG . . 126 ? 8.781 1.420 15.960 1.00 17.05 0 A 1 ATOM 1088 C CD . ARG . . 126 ? 8.161 2.465 16.734 1.00 19.63 0 A 1 ATOM 1089 N NE . ARG . . 126 ? 6.733 2.681 16.577 1.00 20.24 0 A 1 ATOM 1090 C CZ . ARG . . 126 ? 5.746 2.055 17.220 1.00 18.10 0 A 1 ATOM 1091 N NH1 . ARG . . 126 ? 5.932 0.901 17.837 1.00 18.51 1 A 1 ATOM 1092 N NH2 . ARG . . 126 ? 4.509 2.482 17.049 1.00 19.96 0 A 1 ATOM 1093 N N . VAL . . 127 ? 9.227 -0.074 11.687 1.00 10.65 0 A 1 ATOM 1094 C CA . VAL . . 127 ? 9.316 -0.164 10.251 1.00 10.49 0 A 1 ATOM 1095 C C . VAL . . 127 ? 7.893 -0.046 9.734 1.00 9.31 0 A 1 ATOM 1096 O O . VAL . . 127 ? 6.986 -0.770 10.160 1.00 9.95 0 A 1 ATOM 1097 C CB . VAL . . 127 ? 9.875 -1.481 9.760 1.00 11.59 0 A 1 ATOM 1098 C CG1 . VAL . . 127 ? 9.867 -1.479 8.213 1.00 13.70 0 A 1 ATOM 1099 C CG2 . VAL . . 127 ? 11.292 -1.674 10.308 1.00 13.67 0 A 1 ATOM 1100 N N . TYR . . 128 ? 7.693 0.931 8.816 1.00 9.25 0 A 1 ATOM 1101 C CA . TYR . . 128 ? 6.451 1.140 8.129 1.00 9.22 0 A 1 ATOM 1102 C C . TYR . . 128 ? 6.547 0.730 6.676 1.00 8.41 0 A 1 ATOM 1103 O O . TYR . . 128 ? 7.582 0.955 6.058 1.00 10.57 0 A 1 ATOM 1104 C CB . TYR . . 128 ? 6.038 2.636 8.192 1.00 10.18 0 A 1 ATOM 1105 C CG . TYR . . 128 ? 5.563 3.097 9.572 1.00 9.18 0 A 1 ATOM 1106 C CD1 . TYR . . 128 ? 6.506 3.374 10.559 1.00 11.40 0 A 1 ATOM 1107 C CD2 . TYR . . 128 ? 4.271 3.309 9.836 1.00 9.33 0 A 1 ATOM 1108 C CE1 . TYR . . 128 ? 6.077 3.826 11.870 1.00 13.51 0 A 1 ATOM 1109 C CE2 . TYR . . 128 ? 3.823 3.744 11.095 1.00 12.42 0 A 1 ATOM 1110 C CZ . TYR . . 128 ? 4.739 4.024 12.075 1.00 12.43 0 A 1 ATOM 1111 O OH . TYR . . 128 ? 4.173 4.384 13.287 1.00 15.69 0 A 1 ATOM 1112 N N . GLU . . 129 ? 5.434 0.225 6.160 1.00 9.80 0 A 1 ATOM 1113 C CA A GLU . . 129 ? 5.299 -0.134 4.759 0.50 10.84 0 A 1 ATOM 1114 C CA B GLU . . 129 ? 5.350 -0.027 4.721 0.50 11.54 0 A 1 ATOM 1115 C C . GLU . . 129 ? 4.203 0.735 4.152 1.00 10.91 0 A 1 ATOM 1116 O O . GLU . . 129 ? 3.336 1.226 4.855 1.00 10.51 0 A 1 ATOM 1117 C CB A GLU . . 129 ? 5.025 -1.665 4.632 0.50 10.28 0 A 1 ATOM 1118 C CB B GLU . . 129 ? 5.275 -1.527 4.369 0.50 12.59 0 A 1 ATOM 1119 C CG A GLU . . 129 ? 6.282 -2.526 4.906 0.50 13.56 0 A 1 ATOM 1120 C CG B GLU . . 129 ? 3.914 -2.167 4.386 0.50 14.68 0 A 1 ATOM 1121 C CD A GLU . . 129 ? 5.955 -4.045 4.835 0.50 16.47 0 A 1 ATOM 1122 C CD B GLU . . 129 ? 4.068 -3.657 4.072 0.50 21.19 0 A 1 ATOM 1123 O OE1 A GLU . . 129 ? 4.759 -4.403 4.648 0.50 19.18 0 A 1 ATOM 1124 O OE1 B GLU . . 129 ? 3.074 -4.379 4.064 0.50 23.96 0 A 1 ATOM 1125 O OE2 A GLU . . 129 ? 6.867 -4.863 5.025 0.50 23.44 -1 A 1 ATOM 1126 O OE2 B GLU . . 129 ? 5.225 -4.100 3.847 0.50 24.22 -1 A 1 ATOM 1127 N N . ARG . . 130 ? 4.194 0.866 2.842 1.00 10.76 0 A 1 ATOM 1128 C CA . ARG . . 130 ? 3.089 1.570 2.192 1.00 13.21 0 A 1 ATOM 1129 C C . ARG . . 130 ? 1.766 0.891 2.475 1.00 14.34 0 A 1 ATOM 1130 O O . ARG . . 130 ? 1.622 -0.358 2.410 1.00 15.66 0 A 1 ATOM 1131 C CB . ARG . . 130 ? 3.303 1.582 0.701 1.00 14.70 0 A 1 ATOM 1132 C CG . ARG . . 130 ? 4.465 2.316 0.277 1.00 16.88 0 A 1 ATOM 1133 C CD . ARG . . 130 ? 4.184 3.763 0.142 1.00 18.08 0 A 1 ATOM 1134 N NE . ARG . . 130 ? 5.349 4.478 -0.383 1.00 18.32 0 A 1 ATOM 1135 C CZ . ARG . . 130 ? 5.411 5.790 -0.544 1.00 16.56 0 A 1 ATOM 1136 N NH1 . ARG . . 130 ? 4.386 6.540 -0.286 1.00 16.38 1 A 1 ATOM 1137 N NH2 . ARG . . 130 ? 6.542 6.343 -0.949 1.00 18.46 0 A 1 ATOM 1138 N N . ALA . . 131 ? 0.768 1.689 2.794 1.00 15.38 0 A 1 ATOM 1139 C CA . ALA . . 131 ? -0.516 1.151 3.150 1.00 18.11 0 A 1 ATOM 1140 C C . ALA . . 131 ? -1.245 0.582 1.912 1.00 20.22 0 A 1 ATOM 1141 O O . ALA . . 131 ? -0.903 0.943 0.800 1.00 22.45 0 A 1 ATOM 1142 C CB . ALA . . 131 ? -1.346 2.232 3.825 1.00 19.20 0 A 1 HETATM 1143 C C1 . IBP . . 133 ? 5.912 6.100 15.533 1.00 23.49 0 A 1 HETATM 1144 O O1 . IBP . . 133 ? 5.828 4.891 15.301 1.00 21.01 0 A 1 HETATM 1145 C C2 . IBP . . 133 ? 4.998 8.580 21.675 1.00 21.54 0 A 1 HETATM 1146 O O2 . IBP . . 133 ? 5.119 6.949 15.023 1.00 25.39 0 A 1 HETATM 1147 C C3 . IBP . . 133 ? 4.916 7.519 22.769 1.00 24.21 0 A 1 HETATM 1148 C C4 . IBP . . 133 ? 6.354 7.260 23.229 1.00 26.19 0 A 1 HETATM 1149 C C5 . IBP . . 133 ? 4.046 6.332 22.271 1.00 24.79 0 A 1 HETATM 1150 C C6 . IBP . . 133 ? 6.959 6.541 16.556 1.00 22.44 0 A 1 HETATM 1151 C C7 . IBP . . 133 ? 7.564 7.849 16.044 1.00 21.52 0 A 1 HETATM 1152 C C8 . IBP . . 133 ? 6.383 6.991 17.891 1.00 19.38 0 A 1 HETATM 1153 C C9 . IBP . . 133 ? 7.295 7.487 18.806 1.00 16.50 0 A 1 HETATM 1154 C C10 . IBP . . 133 ? 6.818 7.993 20.007 1.00 17.91 0 A 1 HETATM 1155 C C11 . IBP . . 133 ? 5.466 7.995 20.324 1.00 18.98 0 A 1 HETATM 1156 C C12 . IBP . . 133 ? 4.558 7.493 19.381 1.00 20.07 0 A 1 HETATM 1157 C C13 . IBP . . 133 ? 5.011 7.006 18.157 1.00 21.23 0 A 1 HETATM 1158 O O . HOH . . 134 ? -3.992 6.125 7.622 1.00 34.54 0 A 1 HETATM 1159 O O . HOH . . 135 ? 10.423 22.071 12.751 1.00 8.95 0 A 1 HETATM 1160 O O . HOH . . 136 ? 7.234 24.913 12.333 1.00 11.14 0 A 1 HETATM 1161 O O . HOH . . 137 ? 4.675 24.380 13.250 1.00 10.77 0 A 1 HETATM 1162 O O . HOH . . 138 ? -2.667 5.959 32.846 1.00 40.24 0 A 1 HETATM 1163 O O . HOH . . 139 ? 1.006 20.272 5.118 1.00 13.35 0 A 1 HETATM 1164 O O . HOH . . 140 ? 5.443 -1.126 -1.029 1.00 65.24 0 A 1 HETATM 1165 O O . HOH . . 141 ? -2.744 18.850 20.448 1.00 33.54 0 A 1 HETATM 1166 O O . HOH . . 142 ? 9.184 21.330 2.493 1.00 47.27 0 A 1 HETATM 1167 O O . HOH . . 143 ? 13.731 26.627 15.364 1.00 11.65 0 A 1 HETATM 1168 O O . HOH . . 144 ? 17.988 27.310 5.841 1.00 28.11 0 A 1 HETATM 1169 O O . HOH . . 145 ? 11.705 12.318 12.131 1.00 11.66 0 A 1 HETATM 1170 O O . HOH . . 146 ? 0.800 7.512 -1.831 1.00 29.47 0 A 1 HETATM 1171 O O . HOH . . 147 ? 8.697 -3.773 1.127 1.00 40.87 0 A 1 HETATM 1172 O O . HOH . . 148 ? 3.755 25.550 17.914 1.00 15.09 0 A 1 HETATM 1173 O O . HOH . . 149 ? 25.608 5.028 23.797 1.00 38.92 0 A 1 HETATM 1174 O O . HOH . . 150 ? 16.255 23.270 8.777 1.00 29.96 0 A 1 HETATM 1175 O O . HOH . . 151 ? 3.956 10.317 13.579 1.00 34.56 0 A 1 HETATM 1176 O O . HOH . . 152 ? 8.450 21.628 26.746 1.00 46.68 0 A 1 HETATM 1177 O O . HOH . . 153 ? 12.687 10.186 31.674 1.00 43.73 0 A 1 HETATM 1178 O O . HOH . . 154 ? 7.294 26.307 -0.920 1.00 37.20 0 A 1 HETATM 1179 O O . HOH . . 155 ? 6.366 23.729 -4.256 1.00 40.71 0 A 1 HETATM 1180 O O . HOH . . 156 ? 6.542 21.629 -1.321 1.00 41.76 0 A 1 HETATM 1181 O O . HOH . . 157 ? 21.528 7.690 8.286 1.00 38.94 0 A 1 HETATM 1182 O O . HOH . . 158 ? -3.825 -0.547 22.306 1.00 12.31 0 A 1 HETATM 1183 O O . HOH . . 159 ? -3.150 14.373 19.842 1.00 36.92 0 A 1 HETATM 1184 O O . HOH . . 160 ? 9.810 23.002 5.422 1.00 14.24 0 A 1 HETATM 1185 O O . HOH . . 161 ? 8.926 6.448 -3.435 1.00 49.79 0 A 1 HETATM 1186 O O . HOH . . 162 ? -3.588 3.265 29.040 1.00 33.01 0 A 1 HETATM 1187 O O . HOH . . 163 ? 10.071 -7.071 15.724 1.00 42.92 0 A 1 HETATM 1188 O O . HOH . . 164 ? 3.311 21.412 23.987 1.00 35.39 0 A 1 HETATM 1189 O O . HOH . . 165 ? 3.820 16.593 -2.153 1.00 40.96 0 A 1 HETATM 1190 O O . HOH . . 166 ? 21.097 7.829 15.270 1.00 57.17 0 A 1 HETATM 1191 O O . HOH . . 167 ? 15.313 8.986 3.214 1.00 18.51 0 A 1 HETATM 1192 O O . HOH . . 168 ? 20.541 4.489 17.500 1.00 40.40 0 A 1 HETATM 1193 O O . HOH . . 169 ? 7.646 3.133 -0.720 1.00 27.85 0 A 1 HETATM 1194 O O . HOH . . 170 ? 20.844 11.472 10.863 1.00 67.95 0 A 1 HETATM 1195 O O . HOH . . 171 ? 1.574 5.786 0.136 1.00 16.50 0 A 1 HETATM 1196 O O . HOH . . 172 ? 8.812 10.516 21.631 1.00 14.30 0 A 1 HETATM 1197 O O . HOH . . 173 ? 2.180 9.830 17.486 1.00 14.66 0 A 1 HETATM 1198 O O . HOH . . 174 ? 8.783 -3.053 20.098 1.00 17.94 0 A 1 HETATM 1199 O O . HOH . . 175 ? 1.605 15.783 -0.137 1.00 19.58 0 A 1 HETATM 1200 O O . HOH . . 176 ? 7.141 27.732 11.818 1.00 16.84 0 A 1 HETATM 1201 O O . HOH . . 177 ? 4.081 27.142 2.431 1.00 18.67 0 A 1 HETATM 1202 O O . HOH . . 178 ? -0.526 14.348 6.471 1.00 15.64 0 A 1 HETATM 1203 O O . HOH . . 179 ? 13.318 21.244 28.359 1.00 22.55 0 A 1 HETATM 1204 O O . HOH . . 180 ? 1.909 12.782 14.317 1.00 18.70 0 A 1 HETATM 1205 O O . HOH . . 181 ? 16.127 18.703 14.205 1.00 20.44 0 A 1 HETATM 1206 O O . HOH . . 182 ? 18.010 -3.727 1.242 1.00 58.32 0 A 1 HETATM 1207 O O . HOH . . 183 ? 7.466 5.197 -4.908 1.00 47.01 0 A 1 HETATM 1208 O O . HOH . . 184 ? 16.322 21.104 7.262 1.00 17.56 0 A 1 HETATM 1209 O O . HOH . . 185 ? 7.274 3.982 35.526 1.00 39.14 0 A 1 HETATM 1210 O O . HOH . . 186 ? 21.912 11.752 7.606 1.00 64.78 0 A 1 HETATM 1211 O O . HOH . . 187 ? 1.676 26.193 2.181 1.00 19.36 0 A 1 HETATM 1212 O O . HOH . . 188 ? 15.816 -5.815 18.965 1.00 74.67 0 A 1 HETATM 1213 O O . HOH . . 189 ? 3.351 11.444 19.520 1.00 13.84 0 A 1 HETATM 1214 O O . HOH . . 190 ? 21.197 9.414 22.582 1.00 54.10 0 A 1 HETATM 1215 O O . HOH . . 191 ? 8.390 2.651 -3.043 1.00 93.12 0 A 1 HETATM 1216 O O . HOH . . 192 ? 11.330 -2.802 0.844 1.00 18.62 0 A 1 HETATM 1217 O O . HOH . . 193 ? 20.366 10.967 20.271 1.00 37.49 0 A 1 HETATM 1218 O O . HOH . . 194 ? 10.358 29.887 6.556 1.00 134.64 0 A 1 HETATM 1219 O O . HOH . . 195 ? 11.322 27.956 4.972 1.00 44.57 0 A 1 HETATM 1220 O O . HOH . . 196 ? 6.323 8.596 12.540 1.00 98.13 0 A 1 HETATM 1221 O O . HOH . . 197 ? 2.884 1.007 18.772 1.00 18.47 0 A 1 HETATM 1222 O O . HOH . . 198 ? 19.744 10.008 17.616 1.00 35.30 0 A 1 HETATM 1223 O O . HOH . . 199 ? 20.319 4.935 28.471 1.00 21.46 0 A 1 HETATM 1224 O O . HOH . . 200 ? 1.973 30.486 -7.078 1.00 40.95 0 A 1 HETATM 1225 O O . HOH . . 201 ? 12.184 28.507 22.429 1.00 41.70 0 A 1 HETATM 1226 O O . HOH . . 202 ? 13.177 21.556 19.833 1.00 18.21 0 A 1 HETATM 1227 O O . HOH . . 203 ? -2.830 0.787 -1.295 1.00 37.83 0 A 1 HETATM 1228 O O . HOH . . 204 ? 2.819 13.910 18.424 1.00 19.48 0 A 1 HETATM 1229 O O . HOH . . 205 ? 13.215 -3.910 2.499 1.00 52.18 0 A 1 HETATM 1230 O O . HOH . . 206 ? 13.079 -7.594 20.050 1.00 39.13 0 A 1 HETATM 1231 O O . HOH . . 207 ? 11.533 -5.809 21.050 1.00 23.95 0 A 1 HETATM 1232 O O . HOH . . 208 ? 6.266 -0.418 1.370 1.00 18.08 0 A 1 HETATM 1233 O O . HOH . . 209 ? 6.179 11.389 19.548 1.00 16.45 0 A 1 HETATM 1234 O O . HOH . . 210 ? 2.575 6.713 13.634 1.00 20.46 0 A 1 HETATM 1235 O O . HOH . . 211 ? 18.219 0.754 1.603 1.00 46.03 0 A 1 HETATM 1236 O O . HOH . . 212 ? 0.636 18.547 18.968 1.00 27.19 0 A 1 HETATM 1237 O O . HOH . . 213 ? 6.067 27.560 15.398 1.00 18.23 0 A 1 HETATM 1238 O O . HOH . . 214 ? 11.461 -3.150 13.676 1.00 19.07 0 A 1 HETATM 1239 O O . HOH . . 215 ? 17.601 -1.636 20.052 1.00 22.09 0 A 1 HETATM 1240 O O . HOH . . 216 ? 13.993 -1.973 4.255 1.00 48.29 0 A 1 HETATM 1241 O O . HOH . . 217 ? -0.710 18.743 3.750 1.00 17.96 0 A 1 HETATM 1242 O O . HOH . . 218 ? 17.754 13.818 21.739 1.00 21.78 0 A 1 HETATM 1243 O O . HOH . . 219 ? 14.644 1.498 29.177 1.00 18.82 0 A 1 HETATM 1244 O O . HOH . . 220 ? 0.484 5.071 32.379 1.00 24.92 0 A 1 HETATM 1245 O O . HOH . . 221 ? 6.346 9.135 -1.814 1.00 21.09 0 A 1 HETATM 1246 O O . HOH . . 222 ? 3.588 3.666 35.764 1.00 27.42 0 A 1 HETATM 1247 O O . HOH . . 223 ? 12.329 -10.063 16.818 1.00 76.29 0 A 1 HETATM 1248 O O . HOH . . 224 ? 17.441 13.356 27.957 1.00 25.00 0 A 1 HETATM 1249 O O A HOH . . 225 ? 8.301 -3.472 22.743 0.50 18.86 0 A 1 HETATM 1250 O O B HOH . . 225 ? 9.578 -3.670 23.125 0.50 25.79 0 A 1 HETATM 1251 O O A HOH . . 226 ? 8.984 28.788 16.689 0.50 18.49 0 A 1 HETATM 1252 O O B HOH . . 226 ? 9.569 28.810 15.333 0.50 11.64 0 A 1 HETATM 1253 O O . HOH . . 227 ? 4.805 -1.710 25.584 1.00 24.44 0 A 1 HETATM 1254 O O . HOH . . 228 ? 0.936 15.794 18.524 1.00 29.28 0 A 1 HETATM 1255 O O . HOH . . 229 ? 18.259 11.294 24.327 1.00 29.49 0 A 1 HETATM 1256 O O . HOH . . 230 ? -1.894 15.910 17.823 1.00 27.26 0 A 1 HETATM 1257 O O . HOH . . 231 ? 15.520 19.709 27.307 1.00 25.63 0 A 1 HETATM 1258 O O . HOH . . 232 ? 2.145 -3.552 24.701 1.00 21.51 0 A 1 HETATM 1259 O O . HOH . . 233 ? -7.183 10.048 19.684 1.00 33.27 0 A 1 HETATM 1260 O O . HOH . . 234 ? 11.422 -3.234 24.670 1.00 33.28 0 A 1 HETATM 1261 O O . HOH . . 235 ? 5.131 -1.564 19.561 1.00 25.53 0 A 1 HETATM 1262 O O . HOH . . 236 ? -2.257 3.886 -2.960 1.00 42.17 0 A 1 HETATM 1263 O O . HOH . . 237 ? -5.246 14.054 14.828 1.00 45.50 0 A 1 HETATM 1264 O O . HOH . . 238 ? 15.440 26.836 5.358 1.00 101.85 0 A 1 HETATM 1265 O O . HOH . . 239 ? 18.854 17.712 14.756 1.00 36.19 0 A 1 HETATM 1266 O O . HOH . . 240 ? -2.374 4.680 -0.248 1.00 38.97 0 A 1 HETATM 1267 O O . HOH . . 241 ? 12.219 -6.532 23.435 1.00 34.99 0 A 1 HETATM 1268 O O . HOH . . 242 ? 20.016 16.782 16.573 1.00 38.55 0 A 1 HETATM 1269 O O . HOH . . 243 ? 16.009 -3.013 -2.764 1.00 23.44 0 A 1 HETATM 1270 O O . HOH . . 244 ? 16.093 25.760 19.903 1.00 46.78 0 A 1 HETATM 1271 O O . HOH . . 245 ? 4.692 14.676 30.993 1.00 48.32 0 A 1 HETATM 1272 O O . HOH . . 246 ? 17.397 12.417 30.185 1.00 40.43 0 A 1 HETATM 1273 O O . HOH . . 247 ? 7.336 -6.308 15.515 1.00 31.73 0 A 1 HETATM 1274 O O . HOH . . 248 ? -0.211 21.682 29.375 1.00 39.65 0 A 1 HETATM 1275 O O . HOH . . 249 ? 11.488 24.737 4.293 1.00 34.53 0 A 1 HETATM 1276 O O . HOH . . 250 ? -1.856 20.273 11.551 1.00 30.53 0 A 1 HETATM 1277 O O . HOH . . 251 ? -9.417 4.066 20.751 1.00 18.52 0 A 1 HETATM 1278 O O . HOH . . 252 ? 20.837 5.062 21.561 1.00 24.38 0 A 1 HETATM 1279 O O . HOH . . 253 ? 4.790 10.136 29.453 1.00 24.62 0 A 1 HETATM 1280 O O . HOH . . 254 ? 0.100 3.438 -0.144 1.00 23.52 0 A 1 HETATM 1281 O O . HOH . . 255 ? 17.234 8.923 16.421 1.00 26.74 0 A 1 HETATM 1282 O O . HOH . . 256 ? 5.279 22.709 24.138 1.00 29.22 0 A 1 HETATM 1283 O O . HOH . . 257 ? 2.846 12.279 30.066 1.00 28.06 0 A 1 HETATM 1284 O O . HOH . . 258 ? 8.996 12.016 30.690 1.00 25.01 0 A 1 HETATM 1285 O O . HOH . . 259 ? -4.623 12.006 13.313 1.00 33.35 0 A 1 HETATM 1286 O O . HOH . . 260 ? 0.135 7.956 17.689 1.00 25.16 0 A 1 HETATM 1287 O O . HOH . . 261 ? 9.252 21.217 29.718 1.00 30.11 0 A 1 HETATM 1288 O O . HOH . . 262 ? 3.133 8.309 30.990 1.00 23.85 0 A 1 HETATM 1289 O O . HOH . . 263 ? 6.120 -2.059 22.807 1.00 32.16 0 A 1 HETATM 1290 O O . HOH . . 264 ? 8.818 4.901 32.802 1.00 23.88 0 A 1 HETATM 1291 O O . HOH . . 265 ? 7.084 -3.066 30.469 1.00 26.25 0 A 1 HETATM 1292 O O . HOH . . 266 ? 19.516 14.703 18.187 1.00 31.72 0 A 1 HETATM 1293 O O . HOH . . 267 ? -1.838 7.861 -0.396 1.00 32.71 0 A 1 HETATM 1294 O O . HOH . . 268 ? 10.994 22.250 26.587 1.00 29.94 0 A 1 HETATM 1295 O O . HOH . . 269 ? 7.174 29.357 13.914 1.00 24.05 0 A 1 HETATM 1296 O O . HOH . . 270 ? 12.795 25.544 6.189 1.00 28.88 0 A 1 HETATM 1297 O O . HOH . . 271 ? 10.519 -3.729 28.305 1.00 48.81 0 A 1 HETATM 1298 O O . HOH . . 272 ? 10.225 -5.248 9.287 1.00 36.20 0 A 1 HETATM 1299 O O . HOH . . 273 ? 18.882 17.172 2.637 1.00 32.00 0 A 1 HETATM 1300 O O . HOH . . 274 ? 18.402 4.568 2.415 1.00 24.43 0 A 1 HETATM 1301 O O . HOH . . 275 ? 0.744 19.538 -2.000 1.00 37.61 0 A 1 HETATM 1302 O O . HOH . . 276 ? 6.174 11.822 16.636 1.00 35.53 0 A 1 HETATM 1303 O O . HOH . . 277 ? 8.035 30.717 8.506 1.00 28.04 0 A 1 HETATM 1304 O O . HOH . . 278 ? -3.931 1.782 15.029 1.00 26.55 0 A 1 HETATM 1305 O O . HOH . . 279 ? 4.400 9.395 15.920 1.00 22.84 0 A 1 HETATM 1306 O O . HOH . . 280 ? 4.958 17.179 29.767 1.00 31.47 0 A 1 HETATM 1307 O O . HOH . . 281 ? 4.210 13.313 15.693 1.00 26.10 0 A 1 HETATM 1308 O O . HOH . . 282 ? 0.071 5.226 18.666 1.00 34.88 0 A 1 HETATM 1309 O O . HOH . . 283 ? -7.686 6.574 19.109 1.00 30.84 0 A 1 HETATM 1310 O O . HOH . . 284 ? 5.948 29.957 10.091 1.00 27.66 0 A 1 HETATM 1311 O O . HOH . . 285 ? 19.427 20.386 7.524 1.00 35.54 0 A 1 HETATM 1312 O O . HOH . . 286 ? 13.392 6.636 -1.554 1.00 24.53 0 A 1 HETATM 1313 O O . HOH . . 287 ? -5.099 2.361 33.319 1.00 30.83 0 A 1 HETATM 1314 O O . HOH . . 288 ? 15.885 26.116 8.695 1.00 26.29 0 A 1 HETATM 1315 O O . HOH . . 289 ? 1.565 25.781 -13.149 1.00 27.43 0 A 1 HETATM 1316 O O . HOH . . 290 ? -1.089 18.297 0.720 1.00 30.47 0 A 1 HETATM 1317 O O . HOH . . 291 ? 16.500 23.207 21.642 1.00 41.04 0 A 1 HETATM 1318 O O . HOH . . 292 ? 2.432 -5.391 19.901 1.00 30.93 0 A 1 HETATM 1319 O O . HOH . . 293 ? -7.975 6.242 14.915 1.00 39.00 0 A 1 HETATM 1320 O O . HOH . . 294 ? 5.475 16.588 -5.323 1.00 38.23 0 A 1 HETATM 1321 O O . HOH . . 295 ? 13.558 28.145 7.942 1.00 34.29 0 A 1 HETATM 1322 O O . HOH . . 296 ? 2.798 -2.394 17.741 1.00 29.61 0 A 1 HETATM 1323 O O . HOH . . 297 ? 18.350 11.463 21.646 1.00 46.45 0 A 1 HETATM 1324 O O . HOH . . 298 ? 8.789 -5.975 20.148 1.00 33.13 0 A 1 HETATM 1325 O O . HOH . . 299 ? -2.253 19.573 6.723 1.00 33.29 0 A 1 HETATM 1326 O O . HOH . . 300 ? -2.782 5.917 28.952 1.00 41.08 0 A 1 HETATM 1327 O O . HOH . . 301 ? 0.109 -2.634 9.576 1.00 34.90 0 A 1 HETATM 1328 O O . HOH . . 302 ? 3.026 -4.579 22.480 1.00 34.92 0 A 1 HETATM 1329 O O . HOH . . 303 ? 12.922 12.132 -3.047 1.00 44.94 0 A 1 HETATM 1330 O O . HOH . . 304 ? -2.062 9.409 26.363 1.00 43.71 0 A 1 HETATM 1331 O O . HOH . . 305 ? 2.894 -2.373 1.131 1.00 35.03 0 A 1 If you find results from this site helpful for your research, please cite one of our papers:
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