USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 THR OG1 : rot -97:sc= 1.29 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0.0142 USER MOD Set 2.1: A 2 GLN : amide:sc= 0.89 K(o=1.7,f=1.1) USER MOD Set 2.2: A 14 THR OG1 : rot -110:sc= 0.787 USER MOD Single : A 1 MET CE :methyl -132:sc= 0 (180deg=-0.0158) USER MOD Single : A 1 MET N :NH3+ -145:sc= 1.18 (180deg=1.1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -126:sc= 1.07 (180deg=-0.155!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 25 ASN : amide:sc= -0.0307 X(o=-0.031,f=-0.46) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= 0.787 (180deg=0.737) USER MOD Single : A 29 LYS NZ :NH3+ -175:sc= -0.0549 (180deg=-0.0778) USER MOD Single : A 31 GLN : amide:sc= -0.374 K(o=-0.37,f=-2.1) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 41 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.76) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 1.09 K(o=1.1,f=-6.1!) USER MOD Single : A 55 THR OG1 : rot -33:sc= 1.05 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -46:sc= 1.29 USER MOD Single : A 60 ASN : amide:sc= -0.0723 X(o=-0.072,f=-0.21) USER MOD Single : A 62 GLN : amide:sc= -0.265 K(o=-0.26,f=-2.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 79:sc= 0.0801 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.891 31.268 16.080 1.00 0.00 N ATOM 2 CA MET A 1 13.783 30.984 17.520 1.00 0.00 C ATOM 3 C MET A 1 15.130 31.389 18.120 1.00 0.00 C ATOM 4 O MET A 1 16.147 30.983 17.560 1.00 0.00 O ATOM 5 CB MET A 1 13.426 29.507 17.654 1.00 0.00 C ATOM 6 CG MET A 1 13.204 28.961 19.060 1.00 0.00 C ATOM 7 SD MET A 1 13.055 27.160 19.194 1.00 0.00 S ATOM 8 CE MET A 1 14.787 26.672 19.014 1.00 0.00 C ATOM 0 H1 MET A 1 12.970 31.591 15.720 1.00 0.00 H new ATOM 0 H2 MET A 1 14.603 32.010 15.925 1.00 0.00 H new ATOM 0 H3 MET A 1 14.176 30.404 15.576 1.00 0.00 H new ATOM 0 HA MET A 1 13.009 31.533 18.056 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.520 29.326 17.076 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.222 28.925 17.189 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.032 29.286 19.690 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.299 29.412 19.466 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.864 25.865 18.286 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.372 27.526 18.672 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.171 26.331 19.976 1.00 0.00 H new ATOM 20 N GLN A 2 15.136 32.123 19.230 1.00 0.00 N ATOM 21 CA GLN A 2 16.252 32.782 19.871 1.00 0.00 C ATOM 22 C GLN A 2 16.873 31.803 20.865 1.00 0.00 C ATOM 23 O GLN A 2 16.207 31.495 21.857 1.00 0.00 O ATOM 24 CB GLN A 2 15.804 34.079 20.536 1.00 0.00 C ATOM 25 CG GLN A 2 17.080 34.752 21.052 1.00 0.00 C ATOM 26 CD GLN A 2 16.841 36.183 21.510 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.713 36.657 21.648 1.00 0.00 O ATOM 28 NE2 GLN A 2 17.840 36.997 21.807 1.00 0.00 N ATOM 0 H GLN A 2 14.271 32.281 19.747 1.00 0.00 H new ATOM 0 HA GLN A 2 17.005 33.064 19.135 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.284 34.722 19.826 1.00 0.00 H new ATOM 0 HB3 GLN A 2 15.111 33.879 21.353 1.00 0.00 H new ATOM 0 HG2 GLN A 2 17.483 34.171 21.882 1.00 0.00 H new ATOM 0 HG3 GLN A 2 17.833 34.747 20.264 1.00 0.00 H new ATOM 0 HE21 GLN A 2 18.804 36.675 21.717 1.00 0.00 H new ATOM 0 HE22 GLN A 2 17.647 37.946 22.126 1.00 0.00 H new ATOM 37 N ILE A 3 18.096 31.322 20.639 1.00 0.00 N ATOM 38 CA ILE A 3 18.825 30.579 21.652 1.00 0.00 C ATOM 39 C ILE A 3 19.968 31.493 22.102 1.00 0.00 C ATOM 40 O ILE A 3 20.478 32.284 21.316 1.00 0.00 O ATOM 41 CB ILE A 3 19.350 29.239 21.151 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.368 29.256 20.003 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.161 28.392 20.715 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.047 27.921 19.685 1.00 0.00 C ATOM 0 H ILE A 3 18.599 31.437 19.759 1.00 0.00 H new ATOM 0 HA ILE A 3 18.161 30.321 22.477 1.00 0.00 H new ATOM 0 HB ILE A 3 19.905 28.837 21.999 1.00 0.00 H new ATOM 0 HG12 ILE A 3 19.864 29.608 19.103 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.141 29.986 20.241 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.515 27.427 20.352 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.493 28.238 21.563 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.623 28.904 19.917 1.00 0.00 H new ATOM 0 HD11 ILE A 3 21.744 28.055 18.858 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.589 27.570 20.563 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.292 27.186 19.407 1.00 0.00 H new ATOM 56 N PHE A 4 20.286 31.457 23.398 1.00 0.00 N ATOM 57 CA PHE A 4 21.537 31.938 23.938 1.00 0.00 C ATOM 58 C PHE A 4 22.613 30.854 23.928 1.00 0.00 C ATOM 59 O PHE A 4 22.284 29.697 24.180 1.00 0.00 O ATOM 60 CB PHE A 4 21.156 32.397 25.343 1.00 0.00 C ATOM 61 CG PHE A 4 20.199 33.561 25.412 1.00 0.00 C ATOM 62 CD1 PHE A 4 20.504 34.795 24.835 1.00 0.00 C ATOM 63 CD2 PHE A 4 19.056 33.448 26.219 1.00 0.00 C ATOM 64 CE1 PHE A 4 19.608 35.864 24.933 1.00 0.00 C ATOM 65 CE2 PHE A 4 18.165 34.526 26.347 1.00 0.00 C ATOM 66 CZ PHE A 4 18.386 35.691 25.618 1.00 0.00 C ATOM 0 H PHE A 4 19.658 31.082 24.109 1.00 0.00 H new ATOM 0 HA PHE A 4 21.982 32.742 23.352 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.713 31.554 25.874 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.067 32.667 25.877 1.00 0.00 H new ATOM 0 HD1 PHE A 4 21.438 34.925 24.309 1.00 0.00 H new ATOM 0 HD2 PHE A 4 18.860 32.525 26.745 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.850 36.817 24.487 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.313 34.452 27.007 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.627 36.458 25.577 1.00 0.00 H new ATOM 76 N VAL A 5 23.889 31.217 23.819 1.00 0.00 N ATOM 77 CA VAL A 5 25.103 30.444 24.000 1.00 0.00 C ATOM 78 C VAL A 5 26.052 31.243 24.888 1.00 0.00 C ATOM 79 O VAL A 5 26.392 32.344 24.454 1.00 0.00 O ATOM 80 CB VAL A 5 25.724 30.027 22.665 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.916 29.068 22.784 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.685 29.475 21.695 1.00 0.00 C ATOM 0 H VAL A 5 24.117 32.180 23.571 1.00 0.00 H new ATOM 0 HA VAL A 5 24.874 29.502 24.499 1.00 0.00 H new ATOM 0 HB VAL A 5 26.127 30.954 22.258 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.290 28.828 21.789 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.707 29.542 23.365 1.00 0.00 H new ATOM 0 HG13 VAL A 5 26.598 28.152 23.283 1.00 0.00 H new ATOM 0 HG21 VAL A 5 25.172 29.192 20.762 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.206 28.600 22.134 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.933 30.238 21.495 1.00 0.00 H new ATOM 92 N LYS A 6 26.503 30.766 26.047 1.00 0.00 N ATOM 93 CA LYS A 6 27.458 31.382 26.951 1.00 0.00 C ATOM 94 C LYS A 6 28.813 30.688 26.983 1.00 0.00 C ATOM 95 O LYS A 6 28.975 29.486 26.823 1.00 0.00 O ATOM 96 CB LYS A 6 26.859 31.527 28.353 1.00 0.00 C ATOM 97 CG LYS A 6 27.623 32.552 29.193 1.00 0.00 C ATOM 98 CD LYS A 6 26.761 33.061 30.352 1.00 0.00 C ATOM 99 CE LYS A 6 27.208 34.293 31.147 1.00 0.00 C ATOM 100 NZ LYS A 6 28.252 33.930 32.106 1.00 0.00 N ATOM 0 H LYS A 6 26.180 29.866 26.402 1.00 0.00 H new ATOM 0 HA LYS A 6 27.659 32.377 26.553 1.00 0.00 H new ATOM 0 HB2 LYS A 6 25.815 31.829 28.273 1.00 0.00 H new ATOM 0 HB3 LYS A 6 26.874 30.560 28.857 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.535 32.101 29.584 1.00 0.00 H new ATOM 0 HG3 LYS A 6 27.926 33.390 28.565 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.770 33.274 29.952 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.649 32.240 31.060 1.00 0.00 H new ATOM 0 HE2 LYS A 6 27.581 35.058 30.466 1.00 0.00 H new ATOM 0 HE3 LYS A 6 26.356 34.723 31.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 28.545 34.775 32.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.884 33.216 32.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 29.071 33.540 31.597 1.00 0.00 H new ATOM 114 N THR A 7 29.891 31.471 26.911 1.00 0.00 N ATOM 115 CA THR A 7 31.282 31.102 26.742 1.00 0.00 C ATOM 116 C THR A 7 32.031 31.274 28.068 1.00 0.00 C ATOM 117 O THR A 7 31.504 31.879 28.999 1.00 0.00 O ATOM 118 CB THR A 7 31.862 32.012 25.665 1.00 0.00 C ATOM 119 OG1 THR A 7 31.924 33.325 26.179 1.00 0.00 O ATOM 120 CG2 THR A 7 31.075 32.143 24.366 1.00 0.00 C ATOM 0 H THR A 7 29.791 32.484 26.978 1.00 0.00 H new ATOM 0 HA THR A 7 31.380 30.058 26.444 1.00 0.00 H new ATOM 0 HB THR A 7 32.815 31.543 25.421 1.00 0.00 H new ATOM 0 HG1 THR A 7 31.141 33.831 25.878 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.599 32.818 23.690 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.979 31.163 23.898 1.00 0.00 H new ATOM 0 HG23 THR A 7 30.083 32.541 24.580 1.00 0.00 H new ATOM 128 N LEU A 8 33.297 30.872 28.195 1.00 0.00 N ATOM 129 CA LEU A 8 34.194 30.860 29.338 1.00 0.00 C ATOM 130 C LEU A 8 35.023 32.141 29.418 1.00 0.00 C ATOM 131 O LEU A 8 35.257 32.713 30.479 1.00 0.00 O ATOM 132 CB LEU A 8 35.094 29.642 29.128 1.00 0.00 C ATOM 133 CG LEU A 8 35.568 28.939 30.404 1.00 0.00 C ATOM 134 CD1 LEU A 8 36.352 27.672 30.040 1.00 0.00 C ATOM 135 CD2 LEU A 8 36.462 29.795 31.307 1.00 0.00 C ATOM 0 H LEU A 8 33.777 30.495 27.378 1.00 0.00 H new ATOM 0 HA LEU A 8 33.641 30.806 30.276 1.00 0.00 H new ATOM 0 HB2 LEU A 8 34.558 28.918 28.514 1.00 0.00 H new ATOM 0 HB3 LEU A 8 35.970 29.954 28.560 1.00 0.00 H new ATOM 0 HG LEU A 8 34.658 28.717 30.961 1.00 0.00 H new ATOM 0 HD11 LEU A 8 36.686 27.177 30.952 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.710 26.997 29.475 1.00 0.00 H new ATOM 0 HD13 LEU A 8 37.218 27.941 29.435 1.00 0.00 H new ATOM 0 HD21 LEU A 8 36.750 29.218 32.186 1.00 0.00 H new ATOM 0 HD22 LEU A 8 37.356 30.091 30.758 1.00 0.00 H new ATOM 0 HD23 LEU A 8 35.917 30.685 31.620 1.00 0.00 H new ATOM 147 N THR A 9 35.376 32.630 28.233 1.00 0.00 N ATOM 148 CA THR A 9 35.905 33.965 28.012 1.00 0.00 C ATOM 149 C THR A 9 34.973 35.146 28.303 1.00 0.00 C ATOM 150 O THR A 9 35.420 36.288 28.341 1.00 0.00 O ATOM 151 CB THR A 9 36.288 33.921 26.531 1.00 0.00 C ATOM 152 OG1 THR A 9 35.209 33.615 25.679 1.00 0.00 O ATOM 153 CG2 THR A 9 37.434 32.966 26.227 1.00 0.00 C ATOM 0 H THR A 9 35.298 32.087 27.373 1.00 0.00 H new ATOM 0 HA THR A 9 36.715 34.163 28.714 1.00 0.00 H new ATOM 0 HB THR A 9 36.617 34.940 26.327 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.519 33.604 24.749 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.651 32.987 25.159 1.00 0.00 H new ATOM 0 HG22 THR A 9 38.320 33.272 26.783 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.153 31.955 26.521 1.00 0.00 H new ATOM 161 N GLY A 10 33.700 34.910 28.617 1.00 0.00 N ATOM 162 CA GLY A 10 32.891 35.895 29.287 1.00 0.00 C ATOM 163 C GLY A 10 31.612 36.337 28.582 1.00 0.00 C ATOM 164 O GLY A 10 30.686 36.771 29.266 1.00 0.00 O ATOM 0 H GLY A 10 33.216 34.036 28.412 1.00 0.00 H new ATOM 0 HA2 GLY A 10 32.619 35.501 30.266 1.00 0.00 H new ATOM 0 HA3 GLY A 10 33.506 36.779 29.459 1.00 0.00 H new ATOM 168 N LYS A 11 31.618 36.279 27.253 1.00 0.00 N ATOM 169 CA LYS A 11 30.583 36.795 26.386 1.00 0.00 C ATOM 170 C LYS A 11 29.384 35.851 26.308 1.00 0.00 C ATOM 171 O LYS A 11 29.642 34.648 26.249 1.00 0.00 O ATOM 172 CB LYS A 11 31.182 37.053 24.996 1.00 0.00 C ATOM 173 CG LYS A 11 30.250 37.863 24.097 1.00 0.00 C ATOM 174 CD LYS A 11 31.031 38.260 22.854 1.00 0.00 C ATOM 175 CE LYS A 11 30.453 39.301 21.890 1.00 0.00 C ATOM 176 NZ LYS A 11 31.183 39.537 20.635 1.00 0.00 N ATOM 0 H LYS A 11 32.384 35.849 26.735 1.00 0.00 H new ATOM 0 HA LYS A 11 30.210 37.732 26.800 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.128 37.584 25.105 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.405 36.099 24.517 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.374 37.274 23.826 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.889 38.748 24.620 1.00 0.00 H new ATOM 0 HD2 LYS A 11 32.003 38.627 23.184 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.212 37.351 22.280 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.437 38.999 21.637 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.381 40.250 22.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.390 40.552 20.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.074 39.001 20.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.601 39.226 19.831 1.00 0.00 H new ATOM 190 N THR A 12 28.161 36.363 26.333 1.00 0.00 N ATOM 191 CA THR A 12 26.897 35.693 26.127 1.00 0.00 C ATOM 192 C THR A 12 26.530 36.004 24.673 1.00 0.00 C ATOM 193 O THR A 12 26.535 37.199 24.407 1.00 0.00 O ATOM 194 CB THR A 12 25.771 36.215 27.025 1.00 0.00 C ATOM 195 OG1 THR A 12 26.151 35.670 28.268 1.00 0.00 O ATOM 196 CG2 THR A 12 24.306 35.789 26.931 1.00 0.00 C ATOM 0 H THR A 12 28.023 37.357 26.517 1.00 0.00 H new ATOM 0 HA THR A 12 27.002 34.633 26.359 1.00 0.00 H new ATOM 0 HB THR A 12 25.722 37.276 26.778 1.00 0.00 H new ATOM 0 HG1 THR A 12 25.502 35.933 28.953 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.725 36.315 27.688 1.00 0.00 H new ATOM 0 HG22 THR A 12 23.919 36.033 25.942 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.228 34.714 27.096 1.00 0.00 H new ATOM 204 N ILE A 13 26.396 35.004 23.816 1.00 0.00 N ATOM 205 CA ILE A 13 26.039 35.145 22.417 1.00 0.00 C ATOM 206 C ILE A 13 24.527 34.904 22.310 1.00 0.00 C ATOM 207 O ILE A 13 24.060 33.984 22.985 1.00 0.00 O ATOM 208 CB ILE A 13 26.962 34.279 21.559 1.00 0.00 C ATOM 209 CG1 ILE A 13 28.428 34.693 21.583 1.00 0.00 C ATOM 210 CG2 ILE A 13 26.438 34.190 20.129 1.00 0.00 C ATOM 211 CD1 ILE A 13 29.448 33.622 21.209 1.00 0.00 C ATOM 0 H ILE A 13 26.540 34.032 24.090 1.00 0.00 H new ATOM 0 HA ILE A 13 26.204 36.143 22.011 1.00 0.00 H new ATOM 0 HB ILE A 13 26.943 33.290 22.016 1.00 0.00 H new ATOM 0 HG12 ILE A 13 28.555 35.536 20.904 1.00 0.00 H new ATOM 0 HG13 ILE A 13 28.664 35.053 22.585 1.00 0.00 H new ATOM 0 HG21 ILE A 13 27.108 33.570 19.534 1.00 0.00 H new ATOM 0 HG22 ILE A 13 25.442 33.747 20.133 1.00 0.00 H new ATOM 0 HG23 ILE A 13 26.389 35.189 19.697 1.00 0.00 H new ATOM 0 HD11 ILE A 13 30.453 34.041 21.264 1.00 0.00 H new ATOM 0 HD12 ILE A 13 29.366 32.784 21.901 1.00 0.00 H new ATOM 0 HD13 ILE A 13 29.255 33.275 20.194 1.00 0.00 H new ATOM 223 N THR A 14 23.853 35.475 21.317 1.00 0.00 N ATOM 224 CA THR A 14 22.516 35.031 20.995 1.00 0.00 C ATOM 225 C THR A 14 22.510 34.661 19.507 1.00 0.00 C ATOM 226 O THR A 14 22.992 35.402 18.658 1.00 0.00 O ATOM 227 CB THR A 14 21.476 36.072 21.375 1.00 0.00 C ATOM 228 OG1 THR A 14 20.204 35.774 20.849 1.00 0.00 O ATOM 229 CG2 THR A 14 21.831 37.451 20.825 1.00 0.00 C ATOM 0 H THR A 14 24.209 36.233 20.734 1.00 0.00 H new ATOM 0 HA THR A 14 22.239 34.152 21.577 1.00 0.00 H new ATOM 0 HB THR A 14 21.461 36.064 22.465 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.982 36.419 20.145 1.00 0.00 H new ATOM 0 HG21 THR A 14 21.064 38.168 21.118 1.00 0.00 H new ATOM 0 HG22 THR A 14 22.794 37.766 21.227 1.00 0.00 H new ATOM 0 HG23 THR A 14 21.889 37.405 19.738 1.00 0.00 H new ATOM 237 N LEU A 15 21.757 33.583 19.270 1.00 0.00 N ATOM 238 CA LEU A 15 21.581 32.971 17.978 1.00 0.00 C ATOM 239 C LEU A 15 20.109 32.780 17.597 1.00 0.00 C ATOM 240 O LEU A 15 19.399 32.213 18.428 1.00 0.00 O ATOM 241 CB LEU A 15 22.365 31.663 18.020 1.00 0.00 C ATOM 242 CG LEU A 15 23.467 31.446 16.991 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.762 32.208 17.291 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.672 29.993 16.566 1.00 0.00 C ATOM 0 H LEU A 15 21.240 33.106 20.009 1.00 0.00 H new ATOM 0 HA LEU A 15 21.960 33.621 17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 15 22.813 31.576 19.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 21.652 30.845 17.920 1.00 0.00 H new ATOM 0 HG LEU A 15 23.078 31.919 16.089 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.495 32.000 16.512 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.556 33.278 17.319 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.157 31.889 18.255 1.00 0.00 H new ATOM 0 HD21 LEU A 15 24.476 29.939 15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 15 23.934 29.393 17.437 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.752 29.610 16.125 1.00 0.00 H new ATOM 256 N GLU A 16 19.699 33.172 16.397 1.00 0.00 N ATOM 257 CA GLU A 16 18.358 32.936 15.904 1.00 0.00 C ATOM 258 C GLU A 16 18.437 31.706 14.985 1.00 0.00 C ATOM 259 O GLU A 16 19.010 31.875 13.915 1.00 0.00 O ATOM 260 CB GLU A 16 17.876 34.072 15.011 1.00 0.00 C ATOM 261 CG GLU A 16 17.371 35.266 15.816 1.00 0.00 C ATOM 262 CD GLU A 16 18.492 36.010 16.527 1.00 0.00 C ATOM 263 OE1 GLU A 16 19.550 36.111 15.879 1.00 0.00 O ATOM 264 OE2 GLU A 16 18.383 36.551 17.656 1.00 0.00 O ATOM 0 H GLU A 16 20.298 33.667 15.736 1.00 0.00 H new ATOM 0 HA GLU A 16 17.689 32.826 16.758 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.691 34.392 14.362 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.078 33.709 14.364 1.00 0.00 H new ATOM 0 HG2 GLU A 16 16.849 35.953 15.150 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.645 34.922 16.552 1.00 0.00 H new ATOM 271 N VAL A 17 17.875 30.568 15.361 1.00 0.00 N ATOM 272 CA VAL A 17 17.827 29.385 14.523 1.00 0.00 C ATOM 273 C VAL A 17 16.394 28.832 14.527 1.00 0.00 C ATOM 274 O VAL A 17 15.502 29.412 15.139 1.00 0.00 O ATOM 275 CB VAL A 17 18.816 28.450 15.226 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.267 28.743 14.861 1.00 0.00 C ATOM 277 CG2 VAL A 17 18.709 28.162 16.720 1.00 0.00 C ATOM 0 H VAL A 17 17.433 30.441 16.271 1.00 0.00 H new ATOM 0 HA VAL A 17 18.083 29.541 13.475 1.00 0.00 H new ATOM 0 HB VAL A 17 18.456 27.515 14.797 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.922 28.050 15.389 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.403 28.624 13.786 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.515 29.765 15.147 1.00 0.00 H new ATOM 0 HG21 VAL A 17 19.504 27.477 17.016 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.806 29.093 17.278 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.741 27.709 16.935 1.00 0.00 H new ATOM 287 N GLU A 18 16.245 27.676 13.875 1.00 0.00 N ATOM 288 CA GLU A 18 15.023 26.898 13.826 1.00 0.00 C ATOM 289 C GLU A 18 15.209 25.587 14.595 1.00 0.00 C ATOM 290 O GLU A 18 16.319 25.068 14.648 1.00 0.00 O ATOM 291 CB GLU A 18 14.686 26.591 12.368 1.00 0.00 C ATOM 292 CG GLU A 18 13.731 27.642 11.804 1.00 0.00 C ATOM 293 CD GLU A 18 13.180 27.183 10.464 1.00 0.00 C ATOM 294 OE1 GLU A 18 13.409 26.058 9.983 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.534 28.072 9.854 1.00 0.00 O ATOM 0 H GLU A 18 17.007 27.247 13.349 1.00 0.00 H new ATOM 0 HA GLU A 18 14.212 27.465 14.282 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.600 26.567 11.775 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.232 25.603 12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 18 12.912 27.813 12.503 1.00 0.00 H new ATOM 0 HG3 GLU A 18 14.252 28.592 11.685 1.00 0.00 H new ATOM 302 N PRO A 19 14.198 24.902 15.115 1.00 0.00 N ATOM 303 CA PRO A 19 14.472 23.768 15.982 1.00 0.00 C ATOM 304 C PRO A 19 14.781 22.475 15.228 1.00 0.00 C ATOM 305 O PRO A 19 15.303 21.600 15.918 1.00 0.00 O ATOM 306 CB PRO A 19 13.184 23.679 16.800 1.00 0.00 C ATOM 307 CG PRO A 19 12.105 24.176 15.836 1.00 0.00 C ATOM 308 CD PRO A 19 12.805 25.278 15.038 1.00 0.00 C ATOM 0 HA PRO A 19 15.371 23.903 16.583 1.00 0.00 H new ATOM 0 HB2 PRO A 19 12.988 22.658 17.128 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.236 24.297 17.696 1.00 0.00 H new ATOM 0 HG2 PRO A 19 11.750 23.376 15.186 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.237 24.560 16.372 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.454 25.315 14.007 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.629 26.263 15.470 1.00 0.00 H new ATOM 316 N SER A 20 14.655 22.398 13.904 1.00 0.00 N ATOM 317 CA SER A 20 14.932 21.205 13.135 1.00 0.00 C ATOM 318 C SER A 20 16.249 21.351 12.368 1.00 0.00 C ATOM 319 O SER A 20 16.722 20.455 11.678 1.00 0.00 O ATOM 320 CB SER A 20 13.789 20.999 12.135 1.00 0.00 C ATOM 321 OG SER A 20 12.660 20.908 12.980 1.00 0.00 O ATOM 0 H SER A 20 14.350 23.185 13.332 1.00 0.00 H new ATOM 0 HA SER A 20 15.016 20.353 13.809 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.707 21.830 11.435 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.926 20.095 11.541 1.00 0.00 H new ATOM 0 HG SER A 20 11.855 20.775 12.437 1.00 0.00 H new ATOM 327 N ASP A 21 16.960 22.464 12.545 1.00 0.00 N ATOM 328 CA ASP A 21 18.305 22.737 12.083 1.00 0.00 C ATOM 329 C ASP A 21 19.352 22.015 12.931 1.00 0.00 C ATOM 330 O ASP A 21 19.082 21.771 14.097 1.00 0.00 O ATOM 331 CB ASP A 21 18.691 24.214 12.017 1.00 0.00 C ATOM 332 CG ASP A 21 17.911 25.186 11.135 1.00 0.00 C ATOM 333 OD1 ASP A 21 17.350 24.696 10.132 1.00 0.00 O ATOM 334 OD2 ASP A 21 17.920 26.418 11.358 1.00 0.00 O ATOM 0 H ASP A 21 16.572 23.256 13.057 1.00 0.00 H new ATOM 0 HA ASP A 21 18.294 22.360 11.060 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.650 24.602 13.035 1.00 0.00 H new ATOM 0 HB3 ASP A 21 19.733 24.259 11.700 1.00 0.00 H new ATOM 339 N THR A 22 20.516 21.695 12.380 1.00 0.00 N ATOM 340 CA THR A 22 21.463 20.764 12.958 1.00 0.00 C ATOM 341 C THR A 22 22.504 21.524 13.789 1.00 0.00 C ATOM 342 O THR A 22 22.579 22.748 13.717 1.00 0.00 O ATOM 343 CB THR A 22 22.259 20.236 11.772 1.00 0.00 C ATOM 344 OG1 THR A 22 22.898 21.270 11.059 1.00 0.00 O ATOM 345 CG2 THR A 22 21.487 19.304 10.828 1.00 0.00 C ATOM 0 H THR A 22 20.831 22.090 11.494 1.00 0.00 H new ATOM 0 HA THR A 22 20.946 20.016 13.559 1.00 0.00 H new ATOM 0 HB THR A 22 23.022 19.605 12.228 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.399 20.888 10.308 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.142 18.983 10.018 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.141 18.431 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 22 20.630 19.835 10.414 1.00 0.00 H new ATOM 353 N ILE A 23 23.311 20.799 14.555 1.00 0.00 N ATOM 354 CA ILE A 23 24.326 21.351 15.425 1.00 0.00 C ATOM 355 C ILE A 23 25.433 21.876 14.525 1.00 0.00 C ATOM 356 O ILE A 23 26.060 22.857 14.952 1.00 0.00 O ATOM 357 CB ILE A 23 24.870 20.318 16.412 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.970 19.250 17.049 1.00 0.00 C ATOM 359 CG2 ILE A 23 25.814 20.905 17.461 1.00 0.00 C ATOM 360 CD1 ILE A 23 22.619 19.703 17.591 1.00 0.00 C ATOM 0 H ILE A 23 23.270 19.780 14.584 1.00 0.00 H new ATOM 0 HA ILE A 23 23.899 22.146 16.037 1.00 0.00 H new ATOM 0 HB ILE A 23 25.400 19.724 15.668 1.00 0.00 H new ATOM 0 HG12 ILE A 23 23.791 18.473 16.306 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.523 18.788 17.867 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.159 20.112 18.125 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.671 21.361 16.965 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.287 21.661 18.042 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.090 18.848 18.011 1.00 0.00 H new ATOM 0 HD12 ILE A 23 22.771 20.453 18.368 1.00 0.00 H new ATOM 0 HD13 ILE A 23 22.028 20.133 16.782 1.00 0.00 H new ATOM 372 N GLU A 24 25.665 21.467 13.281 1.00 0.00 N ATOM 373 CA GLU A 24 26.626 22.057 12.390 1.00 0.00 C ATOM 374 C GLU A 24 26.102 23.450 12.015 1.00 0.00 C ATOM 375 O GLU A 24 26.910 24.296 11.644 1.00 0.00 O ATOM 376 CB GLU A 24 26.851 21.080 11.237 1.00 0.00 C ATOM 377 CG GLU A 24 27.412 21.635 9.928 1.00 0.00 C ATOM 378 CD GLU A 24 27.570 20.496 8.930 1.00 0.00 C ATOM 379 OE1 GLU A 24 26.673 19.650 8.766 1.00 0.00 O ATOM 380 OE2 GLU A 24 28.526 20.483 8.120 1.00 0.00 O ATOM 0 H GLU A 24 25.163 20.684 12.862 1.00 0.00 H new ATOM 0 HA GLU A 24 27.613 22.220 12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.528 20.300 11.587 1.00 0.00 H new ATOM 0 HB3 GLU A 24 25.898 20.599 11.015 1.00 0.00 H new ATOM 0 HG2 GLU A 24 26.744 22.397 9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 24 28.374 22.116 10.105 1.00 0.00 H new ATOM 387 N ASN A 25 24.808 23.722 12.178 1.00 0.00 N ATOM 388 CA ASN A 25 24.207 24.993 11.817 1.00 0.00 C ATOM 389 C ASN A 25 24.588 26.089 12.814 1.00 0.00 C ATOM 390 O ASN A 25 25.245 27.057 12.464 1.00 0.00 O ATOM 391 CB ASN A 25 22.682 24.880 11.753 1.00 0.00 C ATOM 392 CG ASN A 25 21.991 25.752 10.717 1.00 0.00 C ATOM 393 OD1 ASN A 25 22.144 26.972 10.733 1.00 0.00 O ATOM 394 ND2 ASN A 25 21.431 25.174 9.667 1.00 0.00 N ATOM 0 H ASN A 25 24.144 23.054 12.570 1.00 0.00 H new ATOM 0 HA ASN A 25 24.589 25.260 10.832 1.00 0.00 H new ATOM 0 HB2 ASN A 25 22.423 23.840 11.554 1.00 0.00 H new ATOM 0 HB3 ASN A 25 22.278 25.127 12.735 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.128 25.740 8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.302 24.162 9.650 1.00 0.00 H new ATOM 401 N VAL A 26 24.421 25.696 14.075 1.00 0.00 N ATOM 402 CA VAL A 26 24.806 26.518 15.200 1.00 0.00 C ATOM 403 C VAL A 26 26.318 26.711 15.322 1.00 0.00 C ATOM 404 O VAL A 26 26.703 27.876 15.363 1.00 0.00 O ATOM 405 CB VAL A 26 24.277 25.835 16.469 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.828 26.380 17.783 1.00 0.00 C ATOM 407 CG2 VAL A 26 22.764 25.977 16.582 1.00 0.00 C ATOM 0 H VAL A 26 24.014 24.798 14.336 1.00 0.00 H new ATOM 0 HA VAL A 26 24.383 27.512 15.056 1.00 0.00 H new ATOM 0 HB VAL A 26 24.608 24.804 16.344 1.00 0.00 H new ATOM 0 HG11 VAL A 26 24.391 25.830 18.617 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.912 26.264 17.799 1.00 0.00 H new ATOM 0 HG13 VAL A 26 24.575 27.436 17.873 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.419 25.483 17.491 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.500 27.034 16.620 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.290 25.516 15.716 1.00 0.00 H new ATOM 417 N LYS A 27 27.178 25.701 15.177 1.00 0.00 N ATOM 418 CA LYS A 27 28.599 25.783 14.873 1.00 0.00 C ATOM 419 C LYS A 27 29.080 26.660 13.726 1.00 0.00 C ATOM 420 O LYS A 27 30.097 27.338 13.888 1.00 0.00 O ATOM 421 CB LYS A 27 29.178 24.367 14.903 1.00 0.00 C ATOM 422 CG LYS A 27 29.185 23.731 16.291 1.00 0.00 C ATOM 423 CD LYS A 27 29.563 22.254 16.392 1.00 0.00 C ATOM 424 CE LYS A 27 30.631 21.774 15.396 1.00 0.00 C ATOM 425 NZ LYS A 27 30.930 20.360 15.665 1.00 0.00 N ATOM 0 H LYS A 27 26.871 24.733 15.278 1.00 0.00 H new ATOM 0 HA LYS A 27 29.025 26.396 15.667 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.602 23.735 14.227 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.199 24.394 14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.875 24.298 16.916 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.191 23.853 16.721 1.00 0.00 H new ATOM 0 HD2 LYS A 27 29.919 22.057 17.403 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.663 21.656 16.249 1.00 0.00 H new ATOM 0 HE2 LYS A 27 30.275 21.896 14.373 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.535 22.376 15.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.700 20.043 15.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.220 20.249 16.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.082 19.786 15.486 1.00 0.00 H new ATOM 439 N ALA A 28 28.367 26.773 12.604 1.00 0.00 N ATOM 440 CA ALA A 28 28.759 27.579 11.464 1.00 0.00 C ATOM 441 C ALA A 28 28.476 29.056 11.730 1.00 0.00 C ATOM 442 O ALA A 28 29.250 29.939 11.374 1.00 0.00 O ATOM 443 CB ALA A 28 27.934 27.140 10.252 1.00 0.00 C ATOM 0 H ALA A 28 27.479 26.291 12.467 1.00 0.00 H new ATOM 0 HA ALA A 28 29.826 27.446 11.283 1.00 0.00 H new ATOM 0 HB1 ALA A 28 28.216 27.737 9.384 1.00 0.00 H new ATOM 0 HB2 ALA A 28 28.123 26.087 10.045 1.00 0.00 H new ATOM 0 HB3 ALA A 28 26.874 27.284 10.462 1.00 0.00 H new ATOM 449 N LYS A 29 27.350 29.380 12.361 1.00 0.00 N ATOM 450 CA LYS A 29 26.906 30.710 12.731 1.00 0.00 C ATOM 451 C LYS A 29 27.769 31.290 13.853 1.00 0.00 C ATOM 452 O LYS A 29 28.009 32.498 13.899 1.00 0.00 O ATOM 453 CB LYS A 29 25.450 30.666 13.187 1.00 0.00 C ATOM 454 CG LYS A 29 24.572 30.623 11.938 1.00 0.00 C ATOM 455 CD LYS A 29 23.125 30.255 12.295 1.00 0.00 C ATOM 456 CE LYS A 29 22.134 30.357 11.141 1.00 0.00 C ATOM 457 NZ LYS A 29 22.261 31.558 10.289 1.00 0.00 N ATOM 0 H LYS A 29 26.680 28.665 12.645 1.00 0.00 H new ATOM 0 HA LYS A 29 27.000 31.350 11.854 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.271 29.790 13.810 1.00 0.00 H new ATOM 0 HB3 LYS A 29 25.212 31.541 13.791 1.00 0.00 H new ATOM 0 HG2 LYS A 29 24.592 31.593 11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 29 24.973 29.895 11.232 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.109 29.235 12.680 1.00 0.00 H new ATOM 0 HD3 LYS A 29 22.789 30.905 13.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 22.246 29.474 10.511 1.00 0.00 H new ATOM 0 HE3 LYS A 29 21.124 30.330 11.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.491 31.571 9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 22.206 32.411 10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 23.176 31.538 9.795 1.00 0.00 H new ATOM 471 N ILE A 30 28.282 30.487 14.774 1.00 0.00 N ATOM 472 CA ILE A 30 29.375 30.834 15.657 1.00 0.00 C ATOM 473 C ILE A 30 30.699 31.091 14.942 1.00 0.00 C ATOM 474 O ILE A 30 31.252 32.126 15.307 1.00 0.00 O ATOM 475 CB ILE A 30 29.482 29.746 16.736 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.355 29.896 17.751 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.829 29.709 17.465 1.00 0.00 C ATOM 478 CD1 ILE A 30 28.070 28.689 18.652 1.00 0.00 C ATOM 0 H ILE A 30 27.932 29.542 14.929 1.00 0.00 H new ATOM 0 HA ILE A 30 29.151 31.795 16.120 1.00 0.00 H new ATOM 0 HB ILE A 30 29.397 28.798 16.204 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.584 30.749 18.389 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.441 30.139 17.210 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.818 28.913 18.209 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.627 29.523 16.746 1.00 0.00 H new ATOM 0 HG23 ILE A 30 31.002 30.665 17.959 1.00 0.00 H new ATOM 0 HD11 ILE A 30 27.248 28.925 19.327 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.799 27.831 18.036 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.960 28.451 19.234 1.00 0.00 H new ATOM 490 N GLN A 31 31.177 30.294 13.998 1.00 0.00 N ATOM 491 CA GLN A 31 32.294 30.657 13.151 1.00 0.00 C ATOM 492 C GLN A 31 32.108 31.930 12.330 1.00 0.00 C ATOM 493 O GLN A 31 33.017 32.747 12.166 1.00 0.00 O ATOM 494 CB GLN A 31 32.635 29.436 12.295 1.00 0.00 C ATOM 495 CG GLN A 31 33.875 29.512 11.400 1.00 0.00 C ATOM 496 CD GLN A 31 33.904 28.386 10.376 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.045 27.506 10.304 1.00 0.00 O ATOM 498 NE2 GLN A 31 34.916 28.402 9.524 1.00 0.00 N ATOM 0 H GLN A 31 30.794 29.370 13.800 1.00 0.00 H new ATOM 0 HA GLN A 31 33.133 30.926 13.793 1.00 0.00 H new ATOM 0 HB2 GLN A 31 32.756 28.583 12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 31 31.776 29.223 11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 31 33.893 30.472 10.885 1.00 0.00 H new ATOM 0 HG3 GLN A 31 34.772 29.465 12.017 1.00 0.00 H new ATOM 0 HE21 GLN A 31 35.625 29.133 9.588 1.00 0.00 H new ATOM 0 HE22 GLN A 31 34.987 27.684 8.803 1.00 0.00 H new ATOM 507 N ASP A 32 30.953 32.070 11.698 1.00 0.00 N ATOM 508 CA ASP A 32 30.512 33.250 10.979 1.00 0.00 C ATOM 509 C ASP A 32 30.697 34.567 11.746 1.00 0.00 C ATOM 510 O ASP A 32 31.438 35.453 11.330 1.00 0.00 O ATOM 511 CB ASP A 32 29.215 33.087 10.184 1.00 0.00 C ATOM 512 CG ASP A 32 29.071 34.236 9.196 1.00 0.00 C ATOM 513 OD1 ASP A 32 29.984 34.581 8.427 1.00 0.00 O ATOM 514 OD2 ASP A 32 27.989 34.872 9.250 1.00 0.00 O ATOM 0 H ASP A 32 30.262 31.320 11.673 1.00 0.00 H new ATOM 0 HA ASP A 32 31.233 33.356 10.168 1.00 0.00 H new ATOM 0 HB2 ASP A 32 29.220 32.136 9.652 1.00 0.00 H new ATOM 0 HB3 ASP A 32 28.362 33.068 10.862 1.00 0.00 H new ATOM 519 N LYS A 33 29.990 34.718 12.863 1.00 0.00 N ATOM 520 CA LYS A 33 29.818 36.000 13.516 1.00 0.00 C ATOM 521 C LYS A 33 30.734 36.287 14.707 1.00 0.00 C ATOM 522 O LYS A 33 30.887 37.447 15.071 1.00 0.00 O ATOM 523 CB LYS A 33 28.350 36.178 13.912 1.00 0.00 C ATOM 524 CG LYS A 33 27.377 36.496 12.778 1.00 0.00 C ATOM 525 CD LYS A 33 27.803 37.627 11.839 1.00 0.00 C ATOM 526 CE LYS A 33 26.775 37.895 10.743 1.00 0.00 C ATOM 527 NZ LYS A 33 25.584 38.601 11.223 1.00 0.00 N ATOM 0 H LYS A 33 29.521 33.947 13.338 1.00 0.00 H new ATOM 0 HA LYS A 33 30.124 36.736 12.773 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.015 35.265 14.404 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.289 36.978 14.650 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.229 35.593 12.186 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.411 36.753 13.213 1.00 0.00 H new ATOM 0 HD2 LYS A 33 27.957 38.537 12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 33 28.760 37.374 11.382 1.00 0.00 H new ATOM 0 HE2 LYS A 33 27.242 38.482 9.952 1.00 0.00 H new ATOM 0 HE3 LYS A 33 26.472 36.947 10.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 24.927 38.752 10.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.116 38.033 11.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 25.862 39.520 11.621 1.00 0.00 H new ATOM 541 N GLU A 34 31.305 35.254 15.327 1.00 0.00 N ATOM 542 CA GLU A 34 32.143 35.296 16.507 1.00 0.00 C ATOM 543 C GLU A 34 33.479 34.582 16.341 1.00 0.00 C ATOM 544 O GLU A 34 34.213 34.489 17.322 1.00 0.00 O ATOM 545 CB GLU A 34 31.321 34.727 17.670 1.00 0.00 C ATOM 546 CG GLU A 34 30.241 35.731 18.065 1.00 0.00 C ATOM 547 CD GLU A 34 30.814 36.916 18.843 1.00 0.00 C ATOM 548 OE1 GLU A 34 31.764 36.893 19.648 1.00 0.00 O ATOM 549 OE2 GLU A 34 30.347 38.028 18.512 1.00 0.00 O ATOM 0 H GLU A 34 31.180 34.301 14.986 1.00 0.00 H new ATOM 0 HA GLU A 34 32.426 36.330 16.704 1.00 0.00 H new ATOM 0 HB2 GLU A 34 30.865 33.781 17.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.969 34.520 18.521 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.740 36.095 17.168 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.486 35.231 18.671 1.00 0.00 H new ATOM 556 N GLY A 35 33.838 34.249 15.105 1.00 0.00 N ATOM 557 CA GLY A 35 35.170 33.964 14.634 1.00 0.00 C ATOM 558 C GLY A 35 35.893 32.749 15.242 1.00 0.00 C ATOM 559 O GLY A 35 37.115 32.688 15.351 1.00 0.00 O ATOM 0 H GLY A 35 33.147 34.168 14.359 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.122 33.821 13.554 1.00 0.00 H new ATOM 0 HA3 GLY A 35 35.786 34.846 14.812 1.00 0.00 H new ATOM 563 N ILE A 36 35.158 31.801 15.827 1.00 0.00 N ATOM 564 CA ILE A 36 35.775 30.718 16.556 1.00 0.00 C ATOM 565 C ILE A 36 35.955 29.594 15.536 1.00 0.00 C ATOM 566 O ILE A 36 35.059 29.391 14.715 1.00 0.00 O ATOM 567 CB ILE A 36 34.891 30.220 17.707 1.00 0.00 C ATOM 568 CG1 ILE A 36 34.140 31.401 18.336 1.00 0.00 C ATOM 569 CG2 ILE A 36 35.734 29.319 18.619 1.00 0.00 C ATOM 570 CD1 ILE A 36 33.592 31.269 19.759 1.00 0.00 C ATOM 0 H ILE A 36 34.139 31.771 15.804 1.00 0.00 H new ATOM 0 HA ILE A 36 36.713 31.046 17.003 1.00 0.00 H new ATOM 0 HB ILE A 36 34.077 29.572 17.382 1.00 0.00 H new ATOM 0 HG12 ILE A 36 34.810 32.260 18.322 1.00 0.00 H new ATOM 0 HG13 ILE A 36 33.301 31.641 17.683 1.00 0.00 H new ATOM 0 HG21 ILE A 36 35.118 28.957 19.443 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.109 28.471 18.046 1.00 0.00 H new ATOM 0 HG23 ILE A 36 36.574 29.888 19.017 1.00 0.00 H new ATOM 0 HD11 ILE A 36 33.092 32.195 20.044 1.00 0.00 H new ATOM 0 HD12 ILE A 36 32.880 30.444 19.800 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.413 31.074 20.449 1.00 0.00 H new ATOM 582 N PRO A 37 37.107 28.940 15.426 1.00 0.00 N ATOM 583 CA PRO A 37 37.198 27.735 14.618 1.00 0.00 C ATOM 584 C PRO A 37 36.382 26.549 15.147 1.00 0.00 C ATOM 585 O PRO A 37 36.703 26.165 16.266 1.00 0.00 O ATOM 586 CB PRO A 37 38.695 27.423 14.598 1.00 0.00 C ATOM 587 CG PRO A 37 39.292 28.073 15.844 1.00 0.00 C ATOM 588 CD PRO A 37 38.329 29.217 16.152 1.00 0.00 C ATOM 0 HA PRO A 37 36.770 27.900 13.629 1.00 0.00 H new ATOM 0 HB2 PRO A 37 38.867 26.347 14.602 1.00 0.00 H new ATOM 0 HB3 PRO A 37 39.161 27.816 13.695 1.00 0.00 H new ATOM 0 HG2 PRO A 37 39.354 27.368 16.673 1.00 0.00 H new ATOM 0 HG3 PRO A 37 40.302 28.439 15.660 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.136 29.283 17.223 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.753 30.173 15.845 1.00 0.00 H new ATOM 596 N PRO A 38 35.316 26.063 14.523 1.00 0.00 N ATOM 597 CA PRO A 38 34.361 25.120 15.091 1.00 0.00 C ATOM 598 C PRO A 38 34.885 23.691 15.212 1.00 0.00 C ATOM 599 O PRO A 38 34.276 22.896 15.919 1.00 0.00 O ATOM 600 CB PRO A 38 33.114 25.215 14.213 1.00 0.00 C ATOM 601 CG PRO A 38 33.687 25.664 12.865 1.00 0.00 C ATOM 602 CD PRO A 38 34.899 26.526 13.216 1.00 0.00 C ATOM 0 HA PRO A 38 34.148 25.385 16.126 1.00 0.00 H new ATOM 0 HB2 PRO A 38 32.599 24.257 14.136 1.00 0.00 H new ATOM 0 HB3 PRO A 38 32.395 25.933 14.607 1.00 0.00 H new ATOM 0 HG2 PRO A 38 33.975 24.808 12.254 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.952 26.231 12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 38 35.695 26.407 12.481 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.639 27.584 13.236 1.00 0.00 H new ATOM 610 N ASP A 39 36.024 23.323 14.639 1.00 0.00 N ATOM 611 CA ASP A 39 36.731 22.084 14.901 1.00 0.00 C ATOM 612 C ASP A 39 37.251 22.017 16.336 1.00 0.00 C ATOM 613 O ASP A 39 37.465 20.989 16.969 1.00 0.00 O ATOM 614 CB ASP A 39 37.656 21.695 13.757 1.00 0.00 C ATOM 615 CG ASP A 39 38.304 20.318 13.914 1.00 0.00 C ATOM 616 OD1 ASP A 39 37.682 19.312 14.314 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.462 20.132 13.490 1.00 0.00 O ATOM 0 H ASP A 39 36.497 23.908 13.950 1.00 0.00 H new ATOM 0 HA ASP A 39 36.035 21.246 14.891 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.091 21.714 12.825 1.00 0.00 H new ATOM 0 HB3 ASP A 39 38.441 22.446 13.669 1.00 0.00 H new ATOM 622 N GLN A 40 37.528 23.171 16.947 1.00 0.00 N ATOM 623 CA GLN A 40 38.262 23.295 18.189 1.00 0.00 C ATOM 624 C GLN A 40 37.225 23.859 19.153 1.00 0.00 C ATOM 625 O GLN A 40 37.470 24.861 19.816 1.00 0.00 O ATOM 626 CB GLN A 40 39.456 24.261 18.101 1.00 0.00 C ATOM 627 CG GLN A 40 40.432 24.128 16.939 1.00 0.00 C ATOM 628 CD GLN A 40 41.072 22.761 16.688 1.00 0.00 C ATOM 629 OE1 GLN A 40 41.347 21.969 17.576 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.583 22.581 15.473 1.00 0.00 N ATOM 0 H GLN A 40 37.233 24.071 16.570 1.00 0.00 H new ATOM 0 HA GLN A 40 38.693 22.339 18.485 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.057 25.275 18.081 1.00 0.00 H new ATOM 0 HB3 GLN A 40 40.028 24.162 19.024 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.909 24.424 16.029 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.235 24.849 17.094 1.00 0.00 H new ATOM 0 HE21 GLN A 40 41.360 23.236 14.724 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.198 21.788 15.291 1.00 0.00 H new ATOM 639 N GLN A 41 36.073 23.196 19.207 1.00 0.00 N ATOM 640 CA GLN A 41 34.865 23.607 19.882 1.00 0.00 C ATOM 641 C GLN A 41 34.035 22.335 20.064 1.00 0.00 C ATOM 642 O GLN A 41 34.063 21.402 19.256 1.00 0.00 O ATOM 643 CB GLN A 41 34.178 24.633 18.968 1.00 0.00 C ATOM 644 CG GLN A 41 32.750 25.012 19.372 1.00 0.00 C ATOM 645 CD GLN A 41 32.150 26.160 18.583 1.00 0.00 C ATOM 646 OE1 GLN A 41 30.939 26.352 18.626 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.976 26.862 17.815 1.00 0.00 N ATOM 0 H GLN A 41 35.961 22.294 18.744 1.00 0.00 H new ATOM 0 HA GLN A 41 35.023 24.070 20.856 1.00 0.00 H new ATOM 0 HB2 GLN A 41 34.784 25.538 18.944 1.00 0.00 H new ATOM 0 HB3 GLN A 41 34.158 24.236 17.953 1.00 0.00 H new ATOM 0 HG2 GLN A 41 32.110 24.137 19.257 1.00 0.00 H new ATOM 0 HG3 GLN A 41 32.744 25.274 20.430 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.975 26.657 17.821 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.611 27.606 17.220 1.00 0.00 H new ATOM 656 N ARG A 42 33.325 22.368 21.175 1.00 0.00 N ATOM 657 CA ARG A 42 32.316 21.403 21.570 1.00 0.00 C ATOM 658 C ARG A 42 31.358 22.258 22.393 1.00 0.00 C ATOM 659 O ARG A 42 31.783 23.092 23.192 1.00 0.00 O ATOM 660 CB ARG A 42 32.983 20.320 22.435 1.00 0.00 C ATOM 661 CG ARG A 42 33.991 19.380 21.774 1.00 0.00 C ATOM 662 CD ARG A 42 34.448 18.204 22.643 1.00 0.00 C ATOM 663 NE ARG A 42 34.192 16.916 22.004 1.00 0.00 N ATOM 664 CZ ARG A 42 34.762 16.385 20.908 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.921 16.771 20.368 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.127 15.343 20.350 1.00 0.00 N ATOM 0 H ARG A 42 33.443 23.110 21.865 1.00 0.00 H new ATOM 0 HA ARG A 42 31.820 20.886 20.748 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.488 20.820 23.262 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.192 19.707 22.868 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.551 18.986 20.858 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.867 19.959 21.483 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.514 18.300 22.850 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.932 18.241 23.602 1.00 0.00 H new ATOM 0 HE ARG A 42 33.481 16.338 22.452 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.453 17.531 20.792 1.00 0.00 H new ATOM 0 HH12 ARG A 42 36.274 16.306 19.532 1.00 0.00 H new ATOM 0 HH21 ARG A 42 33.260 14.996 20.759 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.512 14.898 19.516 1.00 0.00 H new ATOM 680 N LEU A 43 30.094 22.201 22.006 1.00 0.00 N ATOM 681 CA LEU A 43 28.961 22.748 22.747 1.00 0.00 C ATOM 682 C LEU A 43 28.358 21.662 23.630 1.00 0.00 C ATOM 683 O LEU A 43 28.221 20.483 23.306 1.00 0.00 O ATOM 684 CB LEU A 43 27.887 22.996 21.691 1.00 0.00 C ATOM 685 CG LEU A 43 28.131 24.166 20.741 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.053 24.174 19.654 1.00 0.00 C ATOM 687 CD2 LEU A 43 28.208 25.514 21.470 1.00 0.00 C ATOM 0 H LEU A 43 29.814 21.755 21.132 1.00 0.00 H new ATOM 0 HA LEU A 43 29.265 23.617 23.330 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.776 22.089 21.096 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.938 23.161 22.200 1.00 0.00 H new ATOM 0 HG LEU A 43 29.107 24.025 20.277 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.227 25.009 18.975 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.092 23.239 19.096 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.071 24.280 20.116 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.383 26.310 20.746 1.00 0.00 H new ATOM 0 HD22 LEU A 43 27.270 25.699 21.993 1.00 0.00 H new ATOM 0 HD23 LEU A 43 29.026 25.492 22.190 1.00 0.00 H new ATOM 699 N ILE A 44 27.799 22.146 24.743 1.00 0.00 N ATOM 700 CA ILE A 44 27.166 21.527 25.879 1.00 0.00 C ATOM 701 C ILE A 44 25.772 22.109 26.130 1.00 0.00 C ATOM 702 O ILE A 44 25.523 23.305 26.267 1.00 0.00 O ATOM 703 CB ILE A 44 28.170 21.581 27.030 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.518 20.989 26.616 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.625 21.061 28.352 1.00 0.00 C ATOM 706 CD1 ILE A 44 30.598 20.987 27.691 1.00 0.00 C ATOM 0 H ILE A 44 27.788 23.158 24.871 1.00 0.00 H new ATOM 0 HA ILE A 44 26.934 20.474 25.719 1.00 0.00 H new ATOM 0 HB ILE A 44 28.354 22.634 27.244 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.357 19.962 26.287 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.889 21.545 25.755 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.398 21.133 29.118 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.763 21.657 28.650 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.324 20.020 28.237 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.510 20.546 27.290 1.00 0.00 H new ATOM 0 HD12 ILE A 44 30.799 22.011 28.007 1.00 0.00 H new ATOM 0 HD13 ILE A 44 30.259 20.403 28.547 1.00 0.00 H new ATOM 718 N PHE A 45 24.813 21.225 26.381 1.00 0.00 N ATOM 719 CA PHE A 45 23.442 21.593 26.681 1.00 0.00 C ATOM 720 C PHE A 45 22.763 20.567 27.586 1.00 0.00 C ATOM 721 O PHE A 45 22.839 19.365 27.327 1.00 0.00 O ATOM 722 CB PHE A 45 22.670 21.828 25.384 1.00 0.00 C ATOM 723 CG PHE A 45 21.276 22.374 25.582 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.237 21.458 25.766 1.00 0.00 C ATOM 725 CD2 PHE A 45 21.152 23.751 25.832 1.00 0.00 C ATOM 726 CE1 PHE A 45 18.994 21.938 26.191 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.921 24.217 26.316 1.00 0.00 C ATOM 728 CZ PHE A 45 18.880 23.295 26.512 1.00 0.00 C ATOM 0 H PHE A 45 24.973 20.218 26.381 1.00 0.00 H new ATOM 0 HA PHE A 45 23.448 22.527 27.242 1.00 0.00 H new ATOM 0 HB2 PHE A 45 23.234 22.521 24.759 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.605 20.887 24.838 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.390 20.404 25.584 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.976 24.427 25.658 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.143 21.277 26.269 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.776 25.265 26.534 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.949 23.650 26.929 1.00 0.00 H new ATOM 738 N ALA A 46 22.073 21.000 28.639 1.00 0.00 N ATOM 739 CA ALA A 46 21.392 20.185 29.617 1.00 0.00 C ATOM 740 C ALA A 46 22.168 19.060 30.311 1.00 0.00 C ATOM 741 O ALA A 46 21.573 18.089 30.789 1.00 0.00 O ATOM 742 CB ALA A 46 20.132 19.617 28.965 1.00 0.00 C ATOM 0 H ALA A 46 21.974 21.996 28.836 1.00 0.00 H new ATOM 0 HA ALA A 46 21.198 20.870 30.442 1.00 0.00 H new ATOM 0 HB1 ALA A 46 19.598 18.996 29.685 1.00 0.00 H new ATOM 0 HB2 ALA A 46 19.488 20.436 28.644 1.00 0.00 H new ATOM 0 HB3 ALA A 46 20.410 19.014 28.101 1.00 0.00 H new ATOM 748 N GLY A 47 23.490 19.163 30.312 1.00 0.00 N ATOM 749 CA GLY A 47 24.447 18.215 30.834 1.00 0.00 C ATOM 750 C GLY A 47 25.141 17.402 29.741 1.00 0.00 C ATOM 751 O GLY A 47 26.120 16.754 30.088 1.00 0.00 O ATOM 0 H GLY A 47 23.951 19.981 29.914 1.00 0.00 H new ATOM 0 HA2 GLY A 47 25.199 18.749 31.415 1.00 0.00 H new ATOM 0 HA3 GLY A 47 23.940 17.535 31.518 1.00 0.00 H new ATOM 755 N LYS A 48 24.776 17.518 28.465 1.00 0.00 N ATOM 756 CA LYS A 48 25.029 16.610 27.369 1.00 0.00 C ATOM 757 C LYS A 48 25.840 17.332 26.294 1.00 0.00 C ATOM 758 O LYS A 48 25.532 18.460 25.912 1.00 0.00 O ATOM 759 CB LYS A 48 23.786 16.056 26.663 1.00 0.00 C ATOM 760 CG LYS A 48 23.207 14.937 27.539 1.00 0.00 C ATOM 761 CD LYS A 48 21.885 14.466 26.932 1.00 0.00 C ATOM 762 CE LYS A 48 21.290 13.300 27.725 1.00 0.00 C ATOM 763 NZ LYS A 48 20.004 12.943 27.109 1.00 0.00 N ATOM 0 H LYS A 48 24.245 18.331 28.153 1.00 0.00 H new ATOM 0 HA LYS A 48 25.547 15.769 27.831 1.00 0.00 H new ATOM 0 HB2 LYS A 48 23.048 16.845 26.514 1.00 0.00 H new ATOM 0 HB3 LYS A 48 24.046 15.673 25.676 1.00 0.00 H new ATOM 0 HG2 LYS A 48 23.910 14.106 27.602 1.00 0.00 H new ATOM 0 HG3 LYS A 48 23.048 15.298 28.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 21.176 15.294 26.913 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.046 14.160 25.898 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.968 12.446 27.715 1.00 0.00 H new ATOM 0 HE3 LYS A 48 21.148 13.582 28.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.577 12.151 27.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.365 13.763 27.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.159 12.663 26.120 1.00 0.00 H new ATOM 777 N GLN A 49 27.017 16.823 25.910 1.00 0.00 N ATOM 778 CA GLN A 49 27.671 17.261 24.696 1.00 0.00 C ATOM 779 C GLN A 49 26.739 17.129 23.496 1.00 0.00 C ATOM 780 O GLN A 49 26.130 16.072 23.362 1.00 0.00 O ATOM 781 CB GLN A 49 28.832 16.285 24.560 1.00 0.00 C ATOM 782 CG GLN A 49 29.709 16.654 23.363 1.00 0.00 C ATOM 783 CD GLN A 49 31.017 15.909 23.127 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.659 16.166 22.106 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.438 14.879 23.859 1.00 0.00 N ATOM 0 H GLN A 49 27.526 16.108 26.430 1.00 0.00 H new ATOM 0 HA GLN A 49 27.976 18.307 24.734 1.00 0.00 H new ATOM 0 HB2 GLN A 49 29.430 16.293 25.472 1.00 0.00 H new ATOM 0 HB3 GLN A 49 28.450 15.271 24.439 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.101 16.537 22.466 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.949 17.714 23.450 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.942 14.624 24.713 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.256 14.345 23.565 1.00 0.00 H new ATOM 794 N LEU A 50 26.482 18.192 22.739 1.00 0.00 N ATOM 795 CA LEU A 50 25.719 18.218 21.509 1.00 0.00 C ATOM 796 C LEU A 50 26.521 17.544 20.391 1.00 0.00 C ATOM 797 O LEU A 50 27.565 18.042 19.977 1.00 0.00 O ATOM 798 CB LEU A 50 25.330 19.661 21.163 1.00 0.00 C ATOM 799 CG LEU A 50 24.260 20.287 22.059 1.00 0.00 C ATOM 800 CD1 LEU A 50 24.096 21.764 21.688 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.917 19.564 22.185 1.00 0.00 C ATOM 0 H LEU A 50 26.828 19.118 22.992 1.00 0.00 H new ATOM 0 HA LEU A 50 24.793 17.657 21.632 1.00 0.00 H new ATOM 0 HB2 LEU A 50 26.225 20.281 21.208 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.976 19.686 20.132 1.00 0.00 H new ATOM 0 HG LEU A 50 24.647 20.175 23.072 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.334 22.216 22.323 1.00 0.00 H new ATOM 0 HD12 LEU A 50 25.044 22.283 21.832 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.793 21.845 20.644 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.262 20.126 22.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.453 19.485 21.202 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.078 18.565 22.591 1.00 0.00 H new ATOM 813 N GLU A 51 26.128 16.360 19.951 1.00 0.00 N ATOM 814 CA GLU A 51 26.928 15.478 19.109 1.00 0.00 C ATOM 815 C GLU A 51 26.544 15.862 17.683 1.00 0.00 C ATOM 816 O GLU A 51 25.409 16.275 17.425 1.00 0.00 O ATOM 817 CB GLU A 51 26.419 14.042 19.237 1.00 0.00 C ATOM 818 CG GLU A 51 27.389 13.010 18.652 1.00 0.00 C ATOM 819 CD GLU A 51 27.034 11.556 18.960 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.336 10.885 18.181 1.00 0.00 O ATOM 821 OE2 GLU A 51 27.598 11.096 19.974 1.00 0.00 O ATOM 0 H GLU A 51 25.212 15.971 20.176 1.00 0.00 H new ATOM 0 HA GLU A 51 27.985 15.555 19.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.247 13.816 20.289 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.457 13.957 18.731 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.427 13.139 17.570 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.389 13.214 19.033 1.00 0.00 H new ATOM 828 N ASP A 52 27.485 15.679 16.764 1.00 0.00 N ATOM 829 CA ASP A 52 27.440 16.050 15.367 1.00 0.00 C ATOM 830 C ASP A 52 26.500 15.061 14.678 1.00 0.00 C ATOM 831 O ASP A 52 26.694 13.845 14.708 1.00 0.00 O ATOM 832 CB ASP A 52 28.840 15.898 14.750 1.00 0.00 C ATOM 833 CG ASP A 52 29.957 16.804 15.240 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.631 17.959 15.621 1.00 0.00 O ATOM 835 OD2 ASP A 52 31.119 16.369 15.329 1.00 0.00 O ATOM 0 H ASP A 52 28.369 15.230 17.004 1.00 0.00 H new ATOM 0 HA ASP A 52 27.104 17.080 15.250 1.00 0.00 H new ATOM 0 HB2 ASP A 52 29.159 14.867 14.905 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.744 16.044 13.674 1.00 0.00 H new ATOM 840 N GLY A 53 25.526 15.576 13.938 1.00 0.00 N ATOM 841 CA GLY A 53 24.563 14.889 13.109 1.00 0.00 C ATOM 842 C GLY A 53 23.136 14.788 13.652 1.00 0.00 C ATOM 843 O GLY A 53 22.351 13.951 13.217 1.00 0.00 O ATOM 0 H GLY A 53 25.383 16.585 13.906 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.525 15.393 12.143 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.930 13.879 12.927 1.00 0.00 H new ATOM 847 N ARG A 54 22.813 15.637 14.627 1.00 0.00 N ATOM 848 CA ARG A 54 21.549 15.687 15.320 1.00 0.00 C ATOM 849 C ARG A 54 20.965 17.086 15.135 1.00 0.00 C ATOM 850 O ARG A 54 21.657 18.007 14.700 1.00 0.00 O ATOM 851 CB ARG A 54 21.810 15.259 16.771 1.00 0.00 C ATOM 852 CG ARG A 54 22.411 13.868 16.914 1.00 0.00 C ATOM 853 CD ARG A 54 22.130 13.306 18.305 1.00 0.00 C ATOM 854 NE ARG A 54 23.134 12.309 18.669 1.00 0.00 N ATOM 855 CZ ARG A 54 23.199 11.566 19.782 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.407 11.802 20.837 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.159 10.643 19.883 1.00 0.00 N ATOM 0 H ARG A 54 23.469 16.342 14.964 1.00 0.00 H new ATOM 0 HA ARG A 54 20.795 15.003 14.930 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.481 15.982 17.236 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.871 15.295 17.323 1.00 0.00 H new ATOM 0 HG2 ARG A 54 21.993 13.205 16.156 1.00 0.00 H new ATOM 0 HG3 ARG A 54 23.487 13.911 16.743 1.00 0.00 H new ATOM 0 HD2 ARG A 54 22.130 14.114 19.037 1.00 0.00 H new ATOM 0 HD3 ARG A 54 21.138 12.856 18.328 1.00 0.00 H new ATOM 0 HE ARG A 54 23.880 12.160 17.990 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.731 12.565 20.807 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.480 11.218 21.670 1.00 0.00 H new ATOM 0 HH21 ARG A 54 24.825 10.514 19.121 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.226 10.067 20.722 1.00 0.00 H new ATOM 871 N THR A 55 19.696 17.271 15.488 1.00 0.00 N ATOM 872 CA THR A 55 18.935 18.488 15.255 1.00 0.00 C ATOM 873 C THR A 55 18.447 18.872 16.655 1.00 0.00 C ATOM 874 O THR A 55 18.287 17.993 17.497 1.00 0.00 O ATOM 875 CB THR A 55 17.804 18.251 14.257 1.00 0.00 C ATOM 876 OG1 THR A 55 16.841 17.286 14.618 1.00 0.00 O ATOM 877 CG2 THR A 55 18.254 17.871 12.839 1.00 0.00 C ATOM 0 H THR A 55 19.152 16.549 15.961 1.00 0.00 H new ATOM 0 HA THR A 55 19.515 19.291 14.800 1.00 0.00 H new ATOM 0 HB THR A 55 17.355 19.244 14.275 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.270 16.575 15.138 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.378 17.724 12.207 1.00 0.00 H new ATOM 0 HG22 THR A 55 18.870 18.670 12.426 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.834 16.949 12.876 1.00 0.00 H new ATOM 885 N LEU A 56 18.345 20.171 16.922 1.00 0.00 N ATOM 886 CA LEU A 56 18.065 20.754 18.221 1.00 0.00 C ATOM 887 C LEU A 56 16.876 20.080 18.909 1.00 0.00 C ATOM 888 O LEU A 56 16.943 19.858 20.114 1.00 0.00 O ATOM 889 CB LEU A 56 17.969 22.280 18.313 1.00 0.00 C ATOM 890 CG LEU A 56 18.916 23.051 17.394 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.600 24.533 17.611 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.420 22.792 17.444 1.00 0.00 C ATOM 0 H LEU A 56 18.462 20.878 16.197 1.00 0.00 H new ATOM 0 HA LEU A 56 18.982 20.536 18.768 1.00 0.00 H new ATOM 0 HB2 LEU A 56 16.946 22.578 18.085 1.00 0.00 H new ATOM 0 HB3 LEU A 56 18.166 22.578 19.343 1.00 0.00 H new ATOM 0 HG LEU A 56 18.711 22.672 16.393 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.248 25.140 16.978 1.00 0.00 H new ATOM 0 HD12 LEU A 56 17.558 24.724 17.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.768 24.792 18.656 1.00 0.00 H new ATOM 0 HD21 LEU A 56 20.924 23.433 16.720 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.794 23.011 18.444 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.618 21.747 17.203 1.00 0.00 H new ATOM 904 N SER A 57 15.797 19.772 18.186 1.00 0.00 N ATOM 905 CA SER A 57 14.723 18.846 18.472 1.00 0.00 C ATOM 906 C SER A 57 15.087 17.552 19.193 1.00 0.00 C ATOM 907 O SER A 57 14.423 17.240 20.175 1.00 0.00 O ATOM 908 CB SER A 57 14.008 18.582 17.150 1.00 0.00 C ATOM 909 OG SER A 57 12.747 18.008 17.423 1.00 0.00 O ATOM 0 H SER A 57 15.648 20.224 17.284 1.00 0.00 H new ATOM 0 HA SER A 57 14.081 19.323 19.213 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.887 19.512 16.594 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.601 17.912 16.527 1.00 0.00 H new ATOM 0 HG SER A 57 12.277 17.835 16.581 1.00 0.00 H new ATOM 915 N ASP A 58 16.151 16.837 18.821 1.00 0.00 N ATOM 916 CA ASP A 58 16.614 15.597 19.414 1.00 0.00 C ATOM 917 C ASP A 58 17.263 15.804 20.786 1.00 0.00 C ATOM 918 O ASP A 58 17.631 14.836 21.447 1.00 0.00 O ATOM 919 CB ASP A 58 17.690 14.967 18.541 1.00 0.00 C ATOM 920 CG ASP A 58 17.268 14.697 17.100 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.303 13.921 16.892 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.906 15.199 16.160 1.00 0.00 O ATOM 0 H ASP A 58 16.745 17.135 18.047 1.00 0.00 H new ATOM 0 HA ASP A 58 15.729 14.968 19.509 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.561 15.622 18.533 1.00 0.00 H new ATOM 0 HB3 ASP A 58 18.002 14.027 18.995 1.00 0.00 H new ATOM 927 N TYR A 59 17.481 17.049 21.220 1.00 0.00 N ATOM 928 CA TYR A 59 17.896 17.432 22.550 1.00 0.00 C ATOM 929 C TYR A 59 16.852 18.297 23.271 1.00 0.00 C ATOM 930 O TYR A 59 16.934 18.351 24.488 1.00 0.00 O ATOM 931 CB TYR A 59 19.321 17.999 22.594 1.00 0.00 C ATOM 932 CG TYR A 59 20.468 17.069 22.272 1.00 0.00 C ATOM 933 CD1 TYR A 59 21.156 16.441 23.316 1.00 0.00 C ATOM 934 CD2 TYR A 59 21.013 17.044 20.982 1.00 0.00 C ATOM 935 CE1 TYR A 59 22.451 15.977 23.076 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.183 16.311 20.719 1.00 0.00 C ATOM 937 CZ TYR A 59 22.935 15.790 21.773 1.00 0.00 C ATOM 938 OH TYR A 59 24.085 15.114 21.489 1.00 0.00 O ATOM 0 H TYR A 59 17.362 17.856 20.607 1.00 0.00 H new ATOM 0 HA TYR A 59 17.949 16.512 23.132 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.367 18.838 21.900 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.489 18.402 23.593 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.696 16.318 24.285 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.531 17.591 20.185 1.00 0.00 H new ATOM 0 HE1 TYR A 59 23.096 15.757 23.914 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.501 16.151 19.699 1.00 0.00 H new ATOM 0 HH TYR A 59 24.796 15.408 22.096 1.00 0.00 H new ATOM 948 N ASN A 60 15.839 18.818 22.586 1.00 0.00 N ATOM 949 CA ASN A 60 14.689 19.512 23.130 1.00 0.00 C ATOM 950 C ASN A 60 15.048 20.952 23.516 1.00 0.00 C ATOM 951 O ASN A 60 14.509 21.503 24.473 1.00 0.00 O ATOM 952 CB ASN A 60 13.986 18.682 24.193 1.00 0.00 C ATOM 953 CG ASN A 60 12.580 19.184 24.487 1.00 0.00 C ATOM 954 OD1 ASN A 60 11.780 19.210 23.559 1.00 0.00 O ATOM 955 ND2 ASN A 60 12.290 19.683 25.683 1.00 0.00 N ATOM 0 H ASN A 60 15.803 18.760 21.568 1.00 0.00 H new ATOM 0 HA ASN A 60 13.929 19.627 22.357 1.00 0.00 H new ATOM 0 HB2 ASN A 60 13.937 17.644 23.865 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.574 18.699 25.111 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.377 20.105 25.852 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.980 19.644 26.433 1.00 0.00 H new ATOM 962 N ILE A 61 15.954 21.588 22.771 1.00 0.00 N ATOM 963 CA ILE A 61 16.440 22.942 22.951 1.00 0.00 C ATOM 964 C ILE A 61 15.275 23.862 22.604 1.00 0.00 C ATOM 965 O ILE A 61 14.772 23.798 21.489 1.00 0.00 O ATOM 966 CB ILE A 61 17.704 23.151 22.113 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.780 22.095 22.360 1.00 0.00 C ATOM 968 CG2 ILE A 61 18.180 24.603 22.070 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.991 22.034 21.427 1.00 0.00 C ATOM 0 H ILE A 61 16.393 21.131 21.972 1.00 0.00 H new ATOM 0 HA ILE A 61 16.751 23.162 23.972 1.00 0.00 H new ATOM 0 HB ILE A 61 17.415 22.965 21.078 1.00 0.00 H new ATOM 0 HG12 ILE A 61 19.153 22.237 23.374 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.295 21.119 22.333 1.00 0.00 H new ATOM 0 HG21 ILE A 61 19.079 24.673 21.458 1.00 0.00 H new ATOM 0 HG22 ILE A 61 17.399 25.229 21.640 1.00 0.00 H new ATOM 0 HG23 ILE A 61 18.402 24.943 23.081 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.654 21.229 21.744 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.655 21.847 20.407 1.00 0.00 H new ATOM 0 HD13 ILE A 61 20.527 22.982 21.464 1.00 0.00 H new ATOM 981 N GLN A 62 14.771 24.700 23.510 1.00 0.00 N ATOM 982 CA GLN A 62 13.548 25.470 23.455 1.00 0.00 C ATOM 983 C GLN A 62 13.899 26.956 23.550 1.00 0.00 C ATOM 984 O GLN A 62 15.042 27.357 23.767 1.00 0.00 O ATOM 985 CB GLN A 62 12.528 24.857 24.407 1.00 0.00 C ATOM 986 CG GLN A 62 12.721 25.065 25.914 1.00 0.00 C ATOM 987 CD GLN A 62 12.042 26.351 26.374 1.00 0.00 C ATOM 988 OE1 GLN A 62 11.118 26.819 25.721 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.495 27.034 27.426 1.00 0.00 N ATOM 0 H GLN A 62 15.267 24.866 24.386 1.00 0.00 H new ATOM 0 HA GLN A 62 13.016 25.422 22.505 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.547 25.250 24.140 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.503 23.783 24.220 1.00 0.00 H new ATOM 0 HG2 GLN A 62 12.309 24.216 26.459 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.785 25.107 26.147 1.00 0.00 H new ATOM 0 HE21 GLN A 62 13.264 26.662 27.983 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.072 27.929 27.673 1.00 0.00 H new ATOM 998 N LYS A 63 12.953 27.873 23.432 1.00 0.00 N ATOM 999 CA LYS A 63 13.132 29.320 23.404 1.00 0.00 C ATOM 1000 C LYS A 63 14.018 29.894 24.510 1.00 0.00 C ATOM 1001 O LYS A 63 13.795 29.646 25.696 1.00 0.00 O ATOM 1002 CB LYS A 63 11.723 29.906 23.428 1.00 0.00 C ATOM 1003 CG LYS A 63 11.540 31.426 23.432 1.00 0.00 C ATOM 1004 CD LYS A 63 10.129 31.875 23.053 1.00 0.00 C ATOM 1005 CE LYS A 63 9.812 33.329 23.416 1.00 0.00 C ATOM 1006 NZ LYS A 63 8.397 33.613 23.109 1.00 0.00 N ATOM 0 H LYS A 63 11.971 27.610 23.347 1.00 0.00 H new ATOM 0 HA LYS A 63 13.685 29.596 22.506 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.192 29.515 22.560 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.221 29.514 24.313 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.780 31.810 24.424 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.252 31.871 22.737 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.994 31.743 21.979 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.408 31.224 23.547 1.00 0.00 H new ATOM 0 HE2 LYS A 63 10.008 33.502 24.474 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.460 34.005 22.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.180 34.600 23.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.225 33.463 22.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.787 32.977 23.661 1.00 0.00 H new ATOM 1020 N GLU A 64 15.203 30.402 24.160 1.00 0.00 N ATOM 1021 CA GLU A 64 16.090 31.042 25.108 1.00 0.00 C ATOM 1022 C GLU A 64 16.730 29.989 26.002 1.00 0.00 C ATOM 1023 O GLU A 64 16.867 30.265 27.191 1.00 0.00 O ATOM 1024 CB GLU A 64 15.432 32.201 25.866 1.00 0.00 C ATOM 1025 CG GLU A 64 15.024 33.264 24.840 1.00 0.00 C ATOM 1026 CD GLU A 64 14.099 34.298 25.464 1.00 0.00 C ATOM 1027 OE1 GLU A 64 14.182 34.533 26.689 1.00 0.00 O ATOM 1028 OE2 GLU A 64 13.169 34.700 24.735 1.00 0.00 O ATOM 0 H GLU A 64 15.566 30.376 23.207 1.00 0.00 H new ATOM 0 HA GLU A 64 16.893 31.530 24.557 1.00 0.00 H new ATOM 0 HB2 GLU A 64 14.560 31.850 26.418 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.124 32.621 26.596 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.914 33.757 24.448 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.526 32.787 23.996 1.00 0.00 H new ATOM 1035 N SER A 65 16.977 28.734 25.639 1.00 0.00 N ATOM 1036 CA SER A 65 17.672 27.733 26.430 1.00 0.00 C ATOM 1037 C SER A 65 19.152 28.017 26.136 1.00 0.00 C ATOM 1038 O SER A 65 19.649 28.034 25.016 1.00 0.00 O ATOM 1039 CB SER A 65 17.242 26.342 25.963 1.00 0.00 C ATOM 1040 OG SER A 65 15.882 26.203 26.285 1.00 0.00 O ATOM 0 H SER A 65 16.679 28.371 24.733 1.00 0.00 H new ATOM 0 HA SER A 65 17.462 27.770 27.499 1.00 0.00 H new ATOM 0 HB2 SER A 65 17.398 26.230 24.890 1.00 0.00 H new ATOM 0 HB3 SER A 65 17.835 25.570 26.453 1.00 0.00 H new ATOM 0 HG SER A 65 15.338 26.672 25.618 1.00 0.00 H new ATOM 1046 N THR A 66 19.976 28.222 27.167 1.00 0.00 N ATOM 1047 CA THR A 66 21.336 28.711 27.128 1.00 0.00 C ATOM 1048 C THR A 66 22.284 27.507 27.134 1.00 0.00 C ATOM 1049 O THR A 66 22.335 26.781 28.133 1.00 0.00 O ATOM 1050 CB THR A 66 21.584 29.600 28.336 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.623 30.629 28.340 1.00 0.00 O ATOM 1052 CG2 THR A 66 22.950 30.280 28.270 1.00 0.00 C ATOM 0 H THR A 66 19.674 28.032 28.123 1.00 0.00 H new ATOM 0 HA THR A 66 21.509 29.299 26.227 1.00 0.00 H new ATOM 0 HB THR A 66 21.532 28.971 29.225 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.769 31.210 29.115 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.088 30.906 29.152 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.733 29.522 28.237 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.006 30.898 27.374 1.00 0.00 H new ATOM 1060 N LEU A 67 22.944 27.272 26.014 1.00 0.00 N ATOM 1061 CA LEU A 67 23.980 26.296 25.708 1.00 0.00 C ATOM 1062 C LEU A 67 25.336 26.779 26.223 1.00 0.00 C ATOM 1063 O LEU A 67 25.519 27.989 26.375 1.00 0.00 O ATOM 1064 CB LEU A 67 24.087 26.230 24.187 1.00 0.00 C ATOM 1065 CG LEU A 67 23.029 25.452 23.402 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.613 26.041 23.403 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.457 25.202 21.961 1.00 0.00 C ATOM 0 H LEU A 67 22.740 27.835 25.188 1.00 0.00 H new ATOM 0 HA LEU A 67 23.731 25.338 26.165 1.00 0.00 H new ATOM 0 HB2 LEU A 67 24.088 27.254 23.812 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.059 25.801 23.944 1.00 0.00 H new ATOM 0 HG LEU A 67 22.966 24.516 23.957 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.953 25.403 22.815 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.244 26.099 24.427 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.634 27.040 22.968 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.676 24.647 21.441 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.620 26.156 21.459 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.381 24.624 21.951 1.00 0.00 H new ATOM 1079 N HIS A 68 26.320 25.934 26.473 1.00 0.00 N ATOM 1080 CA HIS A 68 27.644 26.191 26.999 1.00 0.00 C ATOM 1081 C HIS A 68 28.597 25.663 25.914 1.00 0.00 C ATOM 1082 O HIS A 68 28.320 24.720 25.174 1.00 0.00 O ATOM 1083 CB HIS A 68 27.735 25.390 28.294 1.00 0.00 C ATOM 1084 CG HIS A 68 29.043 25.465 29.044 1.00 0.00 C ATOM 1085 ND1 HIS A 68 29.728 26.624 29.372 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.639 24.328 29.532 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.813 26.130 29.975 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.736 24.811 30.214 1.00 0.00 N ATOM 0 H HIS A 68 26.193 24.939 26.290 1.00 0.00 H new ATOM 0 HA HIS A 68 27.878 27.233 27.218 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.941 25.727 28.960 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.534 24.344 28.063 1.00 0.00 H new ATOM 0 HD2 HIS A 68 29.324 23.302 29.411 1.00 0.00 H new ATOM 0 HE1 HIS A 68 31.668 26.732 30.244 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.373 24.265 30.794 1.00 0.00 H new ATOM 1096 N LEU A 69 29.699 26.373 25.710 1.00 0.00 N ATOM 1097 CA LEU A 69 30.742 26.257 24.702 1.00 0.00 C ATOM 1098 C LEU A 69 32.045 26.093 25.494 1.00 0.00 C ATOM 1099 O LEU A 69 32.371 26.913 26.344 1.00 0.00 O ATOM 1100 CB LEU A 69 30.730 27.536 23.866 1.00 0.00 C ATOM 1101 CG LEU A 69 31.613 27.694 22.630 1.00 0.00 C ATOM 1102 CD1 LEU A 69 30.867 28.365 21.487 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.917 28.392 23.026 1.00 0.00 C ATOM 0 H LEU A 69 29.908 27.151 26.336 1.00 0.00 H new ATOM 0 HA LEU A 69 30.613 25.419 24.017 1.00 0.00 H new ATOM 0 HB2 LEU A 69 29.701 27.692 23.541 1.00 0.00 H new ATOM 0 HB3 LEU A 69 30.979 28.356 24.539 1.00 0.00 H new ATOM 0 HG LEU A 69 31.881 26.713 22.239 1.00 0.00 H new ATOM 0 HD11 LEU A 69 31.529 28.459 20.626 1.00 0.00 H new ATOM 0 HD12 LEU A 69 30.001 27.762 21.214 1.00 0.00 H new ATOM 0 HD13 LEU A 69 30.536 29.355 21.800 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.550 28.507 22.146 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.692 29.374 23.442 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.438 27.793 23.772 1.00 0.00 H new ATOM 1115 N VAL A 70 32.862 25.080 25.238 1.00 0.00 N ATOM 1116 CA VAL A 70 34.246 24.940 25.633 1.00 0.00 C ATOM 1117 C VAL A 70 35.212 24.864 24.452 1.00 0.00 C ATOM 1118 O VAL A 70 34.824 24.478 23.349 1.00 0.00 O ATOM 1119 CB VAL A 70 34.308 23.737 26.581 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.513 23.918 27.865 1.00 0.00 C ATOM 1121 CG2 VAL A 70 34.198 22.316 26.019 1.00 0.00 C ATOM 0 H VAL A 70 32.541 24.272 24.705 1.00 0.00 H new ATOM 0 HA VAL A 70 34.591 25.835 26.152 1.00 0.00 H new ATOM 0 HB VAL A 70 35.371 23.777 26.817 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.608 23.024 28.481 1.00 0.00 H new ATOM 0 HG12 VAL A 70 33.897 24.778 28.413 1.00 0.00 H new ATOM 0 HG13 VAL A 70 32.463 24.082 27.623 1.00 0.00 H new ATOM 0 HG21 VAL A 70 34.262 21.596 26.835 1.00 0.00 H new ATOM 0 HG22 VAL A 70 33.243 22.200 25.507 1.00 0.00 H new ATOM 0 HG23 VAL A 70 35.011 22.139 25.315 1.00 0.00 H new ATOM 1131 N LEU A 71 36.380 25.467 24.578 1.00 0.00 N ATOM 1132 CA LEU A 71 37.310 25.660 23.487 1.00 0.00 C ATOM 1133 C LEU A 71 38.279 24.472 23.544 1.00 0.00 C ATOM 1134 O LEU A 71 39.071 24.364 24.477 1.00 0.00 O ATOM 1135 CB LEU A 71 38.032 27.008 23.582 1.00 0.00 C ATOM 1136 CG LEU A 71 38.581 27.327 24.976 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.935 28.029 24.849 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.612 28.165 25.813 1.00 0.00 C ATOM 0 H LEU A 71 36.714 25.844 25.465 1.00 0.00 H new ATOM 0 HA LEU A 71 36.793 25.691 22.528 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.856 27.018 22.868 1.00 0.00 H new ATOM 0 HB3 LEU A 71 37.343 27.799 23.285 1.00 0.00 H new ATOM 0 HG LEU A 71 38.708 26.382 25.504 1.00 0.00 H new ATOM 0 HD11 LEU A 71 40.323 28.254 25.843 1.00 0.00 H new ATOM 0 HD12 LEU A 71 40.635 27.378 24.326 1.00 0.00 H new ATOM 0 HD13 LEU A 71 39.813 28.956 24.288 1.00 0.00 H new ATOM 0 HD21 LEU A 71 38.052 28.361 26.791 1.00 0.00 H new ATOM 0 HD22 LEU A 71 37.417 29.110 25.306 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.676 27.621 25.939 1.00 0.00 H new ATOM 1150 N ARG A 72 38.244 23.638 22.515 1.00 0.00 N ATOM 1151 CA ARG A 72 39.038 22.439 22.334 1.00 0.00 C ATOM 1152 C ARG A 72 38.966 21.392 23.444 1.00 0.00 C ATOM 1153 O ARG A 72 39.148 20.201 23.220 1.00 0.00 O ATOM 1154 CB ARG A 72 40.475 22.863 22.020 1.00 0.00 C ATOM 1155 CG ARG A 72 41.137 21.811 21.134 1.00 0.00 C ATOM 1156 CD ARG A 72 42.491 22.241 20.572 1.00 0.00 C ATOM 1157 NE ARG A 72 43.531 22.582 21.533 1.00 0.00 N ATOM 1158 CZ ARG A 72 44.512 23.491 21.532 1.00 0.00 C ATOM 1159 NH1 ARG A 72 44.885 24.076 20.384 1.00 0.00 N ATOM 1160 NH2 ARG A 72 45.098 23.704 22.722 1.00 0.00 N ATOM 0 H ARG A 72 37.613 23.796 21.730 1.00 0.00 H new ATOM 0 HA ARG A 72 38.594 21.898 21.499 1.00 0.00 H new ATOM 0 HB2 ARG A 72 40.478 23.830 21.518 1.00 0.00 H new ATOM 0 HB3 ARG A 72 41.040 22.982 22.944 1.00 0.00 H new ATOM 0 HG2 ARG A 72 41.268 20.895 21.710 1.00 0.00 H new ATOM 0 HG3 ARG A 72 40.469 21.575 20.306 1.00 0.00 H new ATOM 0 HD2 ARG A 72 42.866 21.436 19.940 1.00 0.00 H new ATOM 0 HD3 ARG A 72 42.330 23.105 19.927 1.00 0.00 H new ATOM 0 HE ARG A 72 43.506 22.012 22.378 1.00 0.00 H new ATOM 0 HH11 ARG A 72 44.420 23.828 19.511 1.00 0.00 H new ATOM 0 HH12 ARG A 72 45.633 24.769 20.384 1.00 0.00 H new ATOM 0 HH21 ARG A 72 44.786 23.187 23.544 1.00 0.00 H new ATOM 0 HH22 ARG A 72 45.855 24.383 22.803 1.00 0.00 H new ATOM 1174 N LEU A 73 38.645 21.739 24.692 1.00 0.00 N ATOM 1175 CA LEU A 73 38.574 20.957 25.911 1.00 0.00 C ATOM 1176 C LEU A 73 37.736 19.683 25.753 1.00 0.00 C ATOM 1177 O LEU A 73 36.691 19.692 25.106 1.00 0.00 O ATOM 1178 CB LEU A 73 37.910 21.790 27.003 1.00 0.00 C ATOM 1179 CG LEU A 73 38.944 22.737 27.626 1.00 0.00 C ATOM 1180 CD1 LEU A 73 38.269 24.083 27.909 1.00 0.00 C ATOM 1181 CD2 LEU A 73 39.587 22.239 28.920 1.00 0.00 C ATOM 0 H LEU A 73 38.397 22.709 24.888 1.00 0.00 H new ATOM 0 HA LEU A 73 39.598 20.678 26.161 1.00 0.00 H new ATOM 0 HB2 LEU A 73 37.082 22.363 26.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 37.491 21.137 27.769 1.00 0.00 H new ATOM 0 HG LEU A 73 39.752 22.812 26.898 1.00 0.00 H new ATOM 0 HD11 LEU A 73 38.993 24.767 28.352 1.00 0.00 H new ATOM 0 HD12 LEU A 73 37.895 24.505 26.977 1.00 0.00 H new ATOM 0 HD13 LEU A 73 37.439 23.936 28.600 1.00 0.00 H new ATOM 0 HD21 LEU A 73 40.302 22.979 29.279 1.00 0.00 H new ATOM 0 HD22 LEU A 73 38.815 22.084 29.674 1.00 0.00 H new ATOM 0 HD23 LEU A 73 40.103 21.298 28.731 1.00 0.00 H new ATOM 1193 N ARG A 74 38.229 18.605 26.363 1.00 0.00 N ATOM 1194 CA ARG A 74 37.638 17.296 26.194 1.00 0.00 C ATOM 1195 C ARG A 74 36.516 17.114 27.217 1.00 0.00 C ATOM 1196 O ARG A 74 36.612 17.544 28.362 1.00 0.00 O ATOM 1197 CB ARG A 74 38.837 16.379 26.450 1.00 0.00 C ATOM 1198 CG ARG A 74 38.656 14.871 26.380 1.00 0.00 C ATOM 1199 CD ARG A 74 39.919 14.016 26.331 1.00 0.00 C ATOM 1200 NE ARG A 74 39.711 12.592 26.601 1.00 0.00 N ATOM 1201 CZ ARG A 74 40.543 11.678 27.134 1.00 0.00 C ATOM 1202 NH1 ARG A 74 41.661 12.008 27.793 1.00 0.00 N ATOM 1203 NH2 ARG A 74 40.151 10.403 27.041 1.00 0.00 N ATOM 0 H ARG A 74 39.041 18.623 26.980 1.00 0.00 H new ATOM 0 HA ARG A 74 37.173 17.106 25.227 1.00 0.00 H new ATOM 0 HB2 ARG A 74 39.613 16.648 25.733 1.00 0.00 H new ATOM 0 HB3 ARG A 74 39.223 16.616 27.441 1.00 0.00 H new ATOM 0 HG2 ARG A 74 38.072 14.561 27.247 1.00 0.00 H new ATOM 0 HG3 ARG A 74 38.060 14.643 25.496 1.00 0.00 H new ATOM 0 HD2 ARG A 74 40.373 14.121 25.346 1.00 0.00 H new ATOM 0 HD3 ARG A 74 40.633 14.408 27.055 1.00 0.00 H new ATOM 0 HE ARG A 74 38.790 12.236 26.345 1.00 0.00 H new ATOM 0 HH11 ARG A 74 41.914 12.989 27.909 1.00 0.00 H new ATOM 0 HH12 ARG A 74 42.260 11.278 28.179 1.00 0.00 H new ATOM 0 HH21 ARG A 74 39.267 10.173 26.586 1.00 0.00 H new ATOM 0 HH22 ARG A 74 40.736 9.660 27.425 1.00 0.00 H new ATOM 1217 N GLY A 75 35.406 16.537 26.774 1.00 0.00 N ATOM 1218 CA GLY A 75 34.174 16.269 27.487 1.00 0.00 C ATOM 1219 C GLY A 75 33.777 14.820 27.744 1.00 0.00 C ATOM 1220 O GLY A 75 34.672 13.962 27.718 1.00 0.00 O ATOM 0 H GLY A 75 35.346 16.215 25.808 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.235 16.771 28.453 1.00 0.00 H new ATOM 0 HA3 GLY A 75 33.362 16.741 26.933 1.00 0.00 H new ATOM 1224 N GLY A 76 32.481 14.579 27.940 1.00 0.00 N ATOM 1225 CA GLY A 76 31.850 13.276 28.027 1.00 0.00 C ATOM 1226 C GLY A 76 30.812 13.173 26.917 1.00 0.00 C ATOM 1227 O GLY A 76 30.308 14.213 26.454 1.00 0.00 O ATOM 1228 OXT GLY A 76 30.465 12.045 26.489 1.00 0.00 O ATOM 0 H GLY A 76 31.809 15.339 28.048 1.00 0.00 H new ATOM 0 HA2 GLY A 76 32.594 12.486 27.926 1.00 0.00 H new ATOM 0 HA3 GLY A 76 31.378 13.147 29.001 1.00 0.00 H new TER 1232 GLY A 76