USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 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 6 LYS NZ :NH3+ 169:sc= 0.844 (180deg=0.754) USER MOD Set 1.2: A 12 THR OG1 : rot 28:sc= 0.374 USER MOD Single : A 1 MET CE :methyl -129:sc= 0 (180deg=-1.88!) USER MOD Single : A 1 MET N :NH3+ 152:sc= 0.012 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.225 K(o=-0.22,f=-3.3!) USER MOD Single : A 7 THR OG1 : rot -65:sc= 0.535 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 173:sc= 0.916 (180deg=0.521) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0696 USER MOD Single : A 22 THR OG1 : rot 26:sc= 1.15 USER MOD Single : A 25 ASN : amide:sc= 0.283 X(o=0.28,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.866 (180deg=0.683) USER MOD Single : A 29 LYS NZ :NH3+ 177:sc= 1.2 (180deg=1.15) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= 1.25 (180deg=1.11) USER MOD Single : A 40 GLN : amide:sc=-0.00774 K(o=-0.0077,f=-0.95) USER MOD Single : A 41 GLN : amide:sc= 0.912 K(o=0.91,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= -0.0113 (180deg=-0.0716) USER MOD Single : A 49 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.071) USER MOD Single : A 55 THR OG1 : rot -56:sc= 1.25 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 0:sc= -0.247 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 62 GLN : amide:sc= -0.28 K(o=-0.28,f=-6.5!) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 1.02 (180deg=0.651) USER MOD Single : A 65 SER OG : rot -96:sc= 1.25 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.119 31.182 16.617 1.00 0.00 N ATOM 2 CA MET A 1 13.646 30.646 17.884 1.00 0.00 C ATOM 3 C MET A 1 15.010 31.289 18.159 1.00 0.00 C ATOM 4 O MET A 1 15.847 31.256 17.258 1.00 0.00 O ATOM 5 CB MET A 1 13.787 29.120 17.952 1.00 0.00 C ATOM 6 CG MET A 1 14.440 28.549 19.215 1.00 0.00 C ATOM 7 SD MET A 1 14.626 26.752 19.231 1.00 0.00 S ATOM 8 CE MET A 1 15.338 26.575 20.886 1.00 0.00 C ATOM 0 H1 MET A 1 12.493 30.478 16.176 1.00 0.00 H new ATOM 0 H2 MET A 1 12.582 32.053 16.805 1.00 0.00 H new ATOM 0 H3 MET A 1 13.909 31.394 15.975 1.00 0.00 H new ATOM 0 HA MET A 1 12.903 30.898 18.641 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.794 28.681 17.853 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.368 28.792 17.090 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.424 29.002 19.334 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.846 28.846 20.079 1.00 0.00 H new ATOM 0 HE1 MET A 1 16.244 25.972 20.830 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.582 27.560 21.284 1.00 0.00 H new ATOM 0 HE3 MET A 1 14.617 26.087 21.542 1.00 0.00 H new ATOM 20 N GLN A 2 15.224 31.791 19.374 1.00 0.00 N ATOM 21 CA GLN A 2 16.503 32.370 19.745 1.00 0.00 C ATOM 22 C GLN A 2 17.064 31.476 20.853 1.00 0.00 C ATOM 23 O GLN A 2 16.346 31.181 21.798 1.00 0.00 O ATOM 24 CB GLN A 2 16.327 33.716 20.448 1.00 0.00 C ATOM 25 CG GLN A 2 15.465 34.725 19.688 1.00 0.00 C ATOM 26 CD GLN A 2 16.090 35.030 18.331 1.00 0.00 C ATOM 27 OE1 GLN A 2 17.313 35.024 18.150 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.301 35.182 17.277 1.00 0.00 N ATOM 0 H GLN A 2 14.524 31.806 20.115 1.00 0.00 H new ATOM 0 HA GLN A 2 17.112 32.469 18.846 1.00 0.00 H new ATOM 0 HB2 GLN A 2 15.882 33.543 21.428 1.00 0.00 H new ATOM 0 HB3 GLN A 2 17.311 34.154 20.617 1.00 0.00 H new ATOM 0 HG2 GLN A 2 14.459 34.327 19.553 1.00 0.00 H new ATOM 0 HG3 GLN A 2 15.369 35.643 20.268 1.00 0.00 H new ATOM 0 HE21 GLN A 2 14.288 35.191 17.395 1.00 0.00 H new ATOM 0 HE22 GLN A 2 15.707 35.290 16.347 1.00 0.00 H new ATOM 37 N ILE A 3 18.313 31.008 20.761 1.00 0.00 N ATOM 38 CA ILE A 3 19.070 30.409 21.847 1.00 0.00 C ATOM 39 C ILE A 3 20.055 31.411 22.448 1.00 0.00 C ATOM 40 O ILE A 3 20.496 32.276 21.695 1.00 0.00 O ATOM 41 CB ILE A 3 19.660 29.089 21.351 1.00 0.00 C ATOM 42 CG1 ILE A 3 20.704 29.142 20.229 1.00 0.00 C ATOM 43 CG2 ILE A 3 18.526 28.135 20.995 1.00 0.00 C ATOM 44 CD1 ILE A 3 21.472 27.839 20.049 1.00 0.00 C ATOM 0 H ILE A 3 18.839 31.041 19.888 1.00 0.00 H new ATOM 0 HA ILE A 3 18.434 30.154 22.694 1.00 0.00 H new ATOM 0 HB ILE A 3 20.251 28.731 22.194 1.00 0.00 H new ATOM 0 HG12 ILE A 3 20.206 29.393 19.292 1.00 0.00 H new ATOM 0 HG13 ILE A 3 21.411 29.945 20.439 1.00 0.00 H new ATOM 0 HG21 ILE A 3 18.942 27.192 20.641 1.00 0.00 H new ATOM 0 HG22 ILE A 3 17.913 27.953 21.878 1.00 0.00 H new ATOM 0 HG23 ILE A 3 17.911 28.577 20.212 1.00 0.00 H new ATOM 0 HD11 ILE A 3 22.193 27.950 19.239 1.00 0.00 H new ATOM 0 HD12 ILE A 3 21.999 27.597 20.972 1.00 0.00 H new ATOM 0 HD13 ILE A 3 20.775 27.036 19.807 1.00 0.00 H new ATOM 56 N PHE A 4 20.409 31.181 23.707 1.00 0.00 N ATOM 57 CA PHE A 4 21.372 32.051 24.361 1.00 0.00 C ATOM 58 C PHE A 4 22.682 31.257 24.379 1.00 0.00 C ATOM 59 O PHE A 4 22.789 30.120 24.805 1.00 0.00 O ATOM 60 CB PHE A 4 21.045 32.305 25.831 1.00 0.00 C ATOM 61 CG PHE A 4 19.886 33.217 26.110 1.00 0.00 C ATOM 62 CD1 PHE A 4 19.713 34.492 25.545 1.00 0.00 C ATOM 63 CD2 PHE A 4 18.909 32.785 27.019 1.00 0.00 C ATOM 64 CE1 PHE A 4 18.539 35.229 25.748 1.00 0.00 C ATOM 65 CE2 PHE A 4 17.816 33.574 27.367 1.00 0.00 C ATOM 66 CZ PHE A 4 17.649 34.816 26.739 1.00 0.00 C ATOM 0 H PHE A 4 20.052 30.418 24.282 1.00 0.00 H new ATOM 0 HA PHE A 4 21.394 33.005 23.835 1.00 0.00 H new ATOM 0 HB2 PHE A 4 20.846 31.345 26.307 1.00 0.00 H new ATOM 0 HB3 PHE A 4 21.931 32.722 26.311 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.503 34.913 24.941 1.00 0.00 H new ATOM 0 HD2 PHE A 4 19.008 31.806 27.464 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.327 36.101 25.148 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.108 33.235 28.109 1.00 0.00 H new ATOM 0 HZ PHE A 4 16.827 35.456 27.024 1.00 0.00 H new ATOM 76 N VAL A 5 23.751 31.789 23.786 1.00 0.00 N ATOM 77 CA VAL A 5 25.088 31.246 23.613 1.00 0.00 C ATOM 78 C VAL A 5 26.061 32.128 24.406 1.00 0.00 C ATOM 79 O VAL A 5 26.102 33.353 24.343 1.00 0.00 O ATOM 80 CB VAL A 5 25.493 31.367 22.146 1.00 0.00 C ATOM 81 CG1 VAL A 5 26.963 31.209 21.756 1.00 0.00 C ATOM 82 CG2 VAL A 5 24.600 30.520 21.230 1.00 0.00 C ATOM 0 H VAL A 5 23.687 32.718 23.369 1.00 0.00 H new ATOM 0 HA VAL A 5 25.109 30.207 23.942 1.00 0.00 H new ATOM 0 HB VAL A 5 25.328 32.433 21.988 1.00 0.00 H new ATOM 0 HG11 VAL A 5 27.068 31.325 20.677 1.00 0.00 H new ATOM 0 HG12 VAL A 5 27.557 31.970 22.262 1.00 0.00 H new ATOM 0 HG13 VAL A 5 27.313 30.220 22.050 1.00 0.00 H new ATOM 0 HG21 VAL A 5 24.925 30.637 20.196 1.00 0.00 H new ATOM 0 HG22 VAL A 5 24.675 29.471 21.517 1.00 0.00 H new ATOM 0 HG23 VAL A 5 23.565 30.849 21.325 1.00 0.00 H new ATOM 92 N LYS A 6 26.785 31.474 25.303 1.00 0.00 N ATOM 93 CA LYS A 6 27.676 32.095 26.262 1.00 0.00 C ATOM 94 C LYS A 6 29.132 31.648 26.113 1.00 0.00 C ATOM 95 O LYS A 6 29.480 30.536 26.497 1.00 0.00 O ATOM 96 CB LYS A 6 27.192 31.948 27.708 1.00 0.00 C ATOM 97 CG LYS A 6 27.764 32.929 28.737 1.00 0.00 C ATOM 98 CD LYS A 6 26.753 33.321 29.805 1.00 0.00 C ATOM 99 CE LYS A 6 27.375 34.092 30.978 1.00 0.00 C ATOM 100 NZ LYS A 6 27.273 35.543 30.754 1.00 0.00 N ATOM 0 H LYS A 6 26.764 30.457 25.383 1.00 0.00 H new ATOM 0 HA LYS A 6 27.649 33.158 26.022 1.00 0.00 H new ATOM 0 HB2 LYS A 6 26.106 32.046 27.713 1.00 0.00 H new ATOM 0 HB3 LYS A 6 27.422 30.936 28.041 1.00 0.00 H new ATOM 0 HG2 LYS A 6 28.635 32.480 29.215 1.00 0.00 H new ATOM 0 HG3 LYS A 6 28.109 33.826 28.224 1.00 0.00 H new ATOM 0 HD2 LYS A 6 25.974 33.932 29.350 1.00 0.00 H new ATOM 0 HD3 LYS A 6 26.270 32.421 30.186 1.00 0.00 H new ATOM 0 HE2 LYS A 6 26.869 33.825 31.906 1.00 0.00 H new ATOM 0 HE3 LYS A 6 28.421 33.809 31.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 27.525 36.048 31.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 27.924 35.823 29.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 26.298 35.785 30.483 1.00 0.00 H new ATOM 114 N THR A 7 29.994 32.422 25.471 1.00 0.00 N ATOM 115 CA THR A 7 31.361 31.998 25.198 1.00 0.00 C ATOM 116 C THR A 7 32.307 32.273 26.368 1.00 0.00 C ATOM 117 O THR A 7 31.970 32.972 27.318 1.00 0.00 O ATOM 118 CB THR A 7 31.815 32.668 23.903 1.00 0.00 C ATOM 119 OG1 THR A 7 31.871 34.063 24.117 1.00 0.00 O ATOM 120 CG2 THR A 7 30.888 32.478 22.700 1.00 0.00 C ATOM 0 H THR A 7 29.769 33.355 25.126 1.00 0.00 H new ATOM 0 HA THR A 7 31.388 30.915 25.074 1.00 0.00 H new ATOM 0 HB THR A 7 32.770 32.198 23.667 1.00 0.00 H new ATOM 0 HG1 THR A 7 30.969 34.403 24.295 1.00 0.00 H new ATOM 0 HG21 THR A 7 31.304 32.994 21.835 1.00 0.00 H new ATOM 0 HG22 THR A 7 30.793 31.415 22.478 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.905 32.890 22.929 1.00 0.00 H new ATOM 128 N LEU A 8 33.466 31.613 26.412 1.00 0.00 N ATOM 129 CA LEU A 8 34.518 31.506 27.403 1.00 0.00 C ATOM 130 C LEU A 8 34.608 32.536 28.524 1.00 0.00 C ATOM 131 O LEU A 8 34.321 32.296 29.692 1.00 0.00 O ATOM 132 CB LEU A 8 35.814 31.113 26.698 1.00 0.00 C ATOM 133 CG LEU A 8 35.842 30.245 25.438 1.00 0.00 C ATOM 134 CD1 LEU A 8 34.983 28.977 25.446 1.00 0.00 C ATOM 135 CD2 LEU A 8 35.664 31.014 24.132 1.00 0.00 C ATOM 0 H LEU A 8 33.720 31.045 25.604 1.00 0.00 H new ATOM 0 HA LEU A 8 34.220 30.701 28.075 1.00 0.00 H new ATOM 0 HB2 LEU A 8 36.324 32.043 26.446 1.00 0.00 H new ATOM 0 HB3 LEU A 8 36.429 30.603 27.440 1.00 0.00 H new ATOM 0 HG LEU A 8 36.870 29.886 25.478 1.00 0.00 H new ATOM 0 HD11 LEU A 8 35.094 28.456 24.495 1.00 0.00 H new ATOM 0 HD12 LEU A 8 35.305 28.324 26.257 1.00 0.00 H new ATOM 0 HD13 LEU A 8 33.937 29.247 25.591 1.00 0.00 H new ATOM 0 HD21 LEU A 8 35.697 30.319 23.293 1.00 0.00 H new ATOM 0 HD22 LEU A 8 34.702 31.527 24.140 1.00 0.00 H new ATOM 0 HD23 LEU A 8 36.465 31.746 24.029 1.00 0.00 H new ATOM 147 N THR A 9 35.042 33.725 28.117 1.00 0.00 N ATOM 148 CA THR A 9 35.058 34.916 28.939 1.00 0.00 C ATOM 149 C THR A 9 33.676 35.360 29.421 1.00 0.00 C ATOM 150 O THR A 9 33.589 36.293 30.214 1.00 0.00 O ATOM 151 CB THR A 9 35.806 36.028 28.202 1.00 0.00 C ATOM 152 OG1 THR A 9 35.137 36.419 27.030 1.00 0.00 O ATOM 153 CG2 THR A 9 37.310 35.826 27.972 1.00 0.00 C ATOM 0 H THR A 9 35.402 33.884 27.176 1.00 0.00 H new ATOM 0 HA THR A 9 35.591 34.673 29.858 1.00 0.00 H new ATOM 0 HB THR A 9 35.785 36.852 28.915 1.00 0.00 H new ATOM 0 HG1 THR A 9 35.643 37.132 26.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 37.716 36.687 27.440 1.00 0.00 H new ATOM 0 HG22 THR A 9 37.814 35.723 28.933 1.00 0.00 H new ATOM 0 HG23 THR A 9 37.470 34.925 27.380 1.00 0.00 H new ATOM 161 N GLY A 10 32.545 34.840 28.962 1.00 0.00 N ATOM 162 CA GLY A 10 31.201 35.141 29.397 1.00 0.00 C ATOM 163 C GLY A 10 30.315 35.963 28.453 1.00 0.00 C ATOM 164 O GLY A 10 29.127 36.217 28.588 1.00 0.00 O ATOM 0 H GLY A 10 32.552 34.143 28.218 1.00 0.00 H new ATOM 0 HA2 GLY A 10 30.694 34.197 29.597 1.00 0.00 H new ATOM 0 HA3 GLY A 10 31.267 35.675 30.345 1.00 0.00 H new ATOM 168 N LYS A 11 30.946 36.395 27.373 1.00 0.00 N ATOM 169 CA LYS A 11 30.445 37.229 26.289 1.00 0.00 C ATOM 170 C LYS A 11 29.314 36.480 25.576 1.00 0.00 C ATOM 171 O LYS A 11 29.537 35.397 25.052 1.00 0.00 O ATOM 172 CB LYS A 11 31.601 37.475 25.313 1.00 0.00 C ATOM 173 CG LYS A 11 31.193 38.300 24.081 1.00 0.00 C ATOM 174 CD LYS A 11 32.408 38.315 23.156 1.00 0.00 C ATOM 175 CE LYS A 11 32.252 39.269 21.971 1.00 0.00 C ATOM 176 NZ LYS A 11 33.466 39.101 21.166 1.00 0.00 N ATOM 0 H LYS A 11 31.922 36.145 27.217 1.00 0.00 H new ATOM 0 HA LYS A 11 30.065 38.179 26.666 1.00 0.00 H new ATOM 0 HB2 LYS A 11 32.406 37.991 25.837 1.00 0.00 H new ATOM 0 HB3 LYS A 11 31.999 36.515 24.983 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.331 37.856 23.584 1.00 0.00 H new ATOM 0 HG3 LYS A 11 30.909 39.313 24.367 1.00 0.00 H new ATOM 0 HD2 LYS A 11 33.290 38.600 23.730 1.00 0.00 H new ATOM 0 HD3 LYS A 11 32.584 37.307 22.781 1.00 0.00 H new ATOM 0 HE2 LYS A 11 31.361 39.030 21.391 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.146 40.300 22.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 33.371 39.636 20.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 34.287 39.454 21.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.602 38.093 20.949 1.00 0.00 H new ATOM 190 N THR A 12 28.127 37.047 25.788 1.00 0.00 N ATOM 191 CA THR A 12 26.854 36.392 25.585 1.00 0.00 C ATOM 192 C THR A 12 26.320 36.836 24.231 1.00 0.00 C ATOM 193 O THR A 12 26.458 37.994 23.834 1.00 0.00 O ATOM 194 CB THR A 12 25.900 36.866 26.685 1.00 0.00 C ATOM 195 OG1 THR A 12 26.567 36.419 27.841 1.00 0.00 O ATOM 196 CG2 THR A 12 24.529 36.172 26.651 1.00 0.00 C ATOM 0 H THR A 12 28.032 38.008 26.117 1.00 0.00 H new ATOM 0 HA THR A 12 26.950 35.307 25.617 1.00 0.00 H new ATOM 0 HB THR A 12 25.697 37.934 26.605 1.00 0.00 H new ATOM 0 HG1 THR A 12 27.532 36.387 27.671 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.906 36.557 27.458 1.00 0.00 H new ATOM 0 HG22 THR A 12 24.045 36.368 25.694 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.662 35.097 26.777 1.00 0.00 H new ATOM 204 N ILE A 13 25.757 35.845 23.546 1.00 0.00 N ATOM 205 CA ILE A 13 25.110 35.940 22.257 1.00 0.00 C ATOM 206 C ILE A 13 23.695 35.395 22.495 1.00 0.00 C ATOM 207 O ILE A 13 23.481 34.548 23.353 1.00 0.00 O ATOM 208 CB ILE A 13 26.013 35.228 21.250 1.00 0.00 C ATOM 209 CG1 ILE A 13 27.132 36.148 20.743 1.00 0.00 C ATOM 210 CG2 ILE A 13 25.367 34.721 19.965 1.00 0.00 C ATOM 211 CD1 ILE A 13 28.332 35.434 20.118 1.00 0.00 C ATOM 0 H ILE A 13 25.744 34.892 23.909 1.00 0.00 H new ATOM 0 HA ILE A 13 24.980 36.931 21.823 1.00 0.00 H new ATOM 0 HB ILE A 13 26.344 34.378 21.847 1.00 0.00 H new ATOM 0 HG12 ILE A 13 26.712 36.831 20.005 1.00 0.00 H new ATOM 0 HG13 ILE A 13 27.485 36.756 21.576 1.00 0.00 H new ATOM 0 HG21 ILE A 13 26.122 34.238 19.344 1.00 0.00 H new ATOM 0 HG22 ILE A 13 24.585 34.003 20.210 1.00 0.00 H new ATOM 0 HG23 ILE A 13 24.932 35.560 19.421 1.00 0.00 H new ATOM 0 HD11 ILE A 13 29.065 36.172 19.792 1.00 0.00 H new ATOM 0 HD12 ILE A 13 28.786 34.772 20.855 1.00 0.00 H new ATOM 0 HD13 ILE A 13 28.001 34.849 19.260 1.00 0.00 H new ATOM 223 N THR A 14 22.807 36.103 21.805 1.00 0.00 N ATOM 224 CA THR A 14 21.552 35.538 21.370 1.00 0.00 C ATOM 225 C THR A 14 21.653 35.099 19.907 1.00 0.00 C ATOM 226 O THR A 14 21.695 35.979 19.051 1.00 0.00 O ATOM 227 CB THR A 14 20.436 36.538 21.707 1.00 0.00 C ATOM 228 OG1 THR A 14 20.619 36.965 23.035 1.00 0.00 O ATOM 229 CG2 THR A 14 19.048 35.908 21.610 1.00 0.00 C ATOM 0 H THR A 14 22.943 37.078 21.537 1.00 0.00 H new ATOM 0 HA THR A 14 21.298 34.619 21.899 1.00 0.00 H new ATOM 0 HB THR A 14 20.492 37.359 20.993 1.00 0.00 H new ATOM 0 HG1 THR A 14 19.917 37.607 23.272 1.00 0.00 H new ATOM 0 HG21 THR A 14 18.292 36.653 21.857 1.00 0.00 H new ATOM 0 HG22 THR A 14 18.883 35.546 20.595 1.00 0.00 H new ATOM 0 HG23 THR A 14 18.977 35.074 22.309 1.00 0.00 H new ATOM 237 N LEU A 15 21.736 33.800 19.627 1.00 0.00 N ATOM 238 CA LEU A 15 21.850 33.232 18.294 1.00 0.00 C ATOM 239 C LEU A 15 20.431 32.789 17.926 1.00 0.00 C ATOM 240 O LEU A 15 19.833 32.111 18.752 1.00 0.00 O ATOM 241 CB LEU A 15 22.673 31.948 18.331 1.00 0.00 C ATOM 242 CG LEU A 15 23.338 31.590 17.005 1.00 0.00 C ATOM 243 CD1 LEU A 15 24.723 32.228 16.862 1.00 0.00 C ATOM 244 CD2 LEU A 15 23.450 30.090 16.749 1.00 0.00 C ATOM 0 H LEU A 15 21.725 33.088 20.357 1.00 0.00 H new ATOM 0 HA LEU A 15 22.303 33.952 17.612 1.00 0.00 H new ATOM 0 HB2 LEU A 15 23.444 32.046 19.096 1.00 0.00 H new ATOM 0 HB3 LEU A 15 22.026 31.124 18.634 1.00 0.00 H new ATOM 0 HG LEU A 15 22.666 32.001 16.252 1.00 0.00 H new ATOM 0 HD11 LEU A 15 25.157 31.945 15.903 1.00 0.00 H new ATOM 0 HD12 LEU A 15 24.631 33.313 16.912 1.00 0.00 H new ATOM 0 HD13 LEU A 15 25.369 31.881 17.669 1.00 0.00 H new ATOM 0 HD21 LEU A 15 23.933 29.920 15.787 1.00 0.00 H new ATOM 0 HD22 LEU A 15 24.043 29.629 17.539 1.00 0.00 H new ATOM 0 HD23 LEU A 15 22.454 29.647 16.738 1.00 0.00 H new ATOM 256 N GLU A 16 20.055 33.154 16.698 1.00 0.00 N ATOM 257 CA GLU A 16 18.820 32.792 16.029 1.00 0.00 C ATOM 258 C GLU A 16 19.070 31.442 15.352 1.00 0.00 C ATOM 259 O GLU A 16 20.109 31.229 14.739 1.00 0.00 O ATOM 260 CB GLU A 16 18.463 34.025 15.205 1.00 0.00 C ATOM 261 CG GLU A 16 17.113 33.852 14.506 1.00 0.00 C ATOM 262 CD GLU A 16 16.625 34.945 13.564 1.00 0.00 C ATOM 263 OE1 GLU A 16 17.297 35.997 13.514 1.00 0.00 O ATOM 264 OE2 GLU A 16 15.508 34.823 13.021 1.00 0.00 O ATOM 0 H GLU A 16 20.647 33.746 16.115 1.00 0.00 H new ATOM 0 HA GLU A 16 17.929 32.591 16.624 1.00 0.00 H new ATOM 0 HB2 GLU A 16 18.431 34.901 15.852 1.00 0.00 H new ATOM 0 HB3 GLU A 16 19.240 34.206 14.462 1.00 0.00 H new ATOM 0 HG2 GLU A 16 17.153 32.922 13.939 1.00 0.00 H new ATOM 0 HG3 GLU A 16 16.356 33.722 15.279 1.00 0.00 H new ATOM 271 N VAL A 17 18.069 30.565 15.370 1.00 0.00 N ATOM 272 CA VAL A 17 18.056 29.282 14.692 1.00 0.00 C ATOM 273 C VAL A 17 16.647 28.987 14.183 1.00 0.00 C ATOM 274 O VAL A 17 15.643 29.676 14.358 1.00 0.00 O ATOM 275 CB VAL A 17 18.561 28.222 15.670 1.00 0.00 C ATOM 276 CG1 VAL A 17 20.016 28.472 16.083 1.00 0.00 C ATOM 277 CG2 VAL A 17 17.721 28.131 16.940 1.00 0.00 C ATOM 0 H VAL A 17 17.206 30.743 15.884 1.00 0.00 H new ATOM 0 HA VAL A 17 18.712 29.285 13.822 1.00 0.00 H new ATOM 0 HB VAL A 17 18.481 27.281 15.125 1.00 0.00 H new ATOM 0 HG11 VAL A 17 20.335 27.696 16.779 1.00 0.00 H new ATOM 0 HG12 VAL A 17 20.654 28.452 15.199 1.00 0.00 H new ATOM 0 HG13 VAL A 17 20.095 29.446 16.565 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.131 27.361 17.593 1.00 0.00 H new ATOM 0 HG22 VAL A 17 17.737 29.091 17.456 1.00 0.00 H new ATOM 0 HG23 VAL A 17 16.694 27.877 16.679 1.00 0.00 H new ATOM 287 N GLU A 18 16.482 27.842 13.521 1.00 0.00 N ATOM 288 CA GLU A 18 15.238 27.098 13.552 1.00 0.00 C ATOM 289 C GLU A 18 15.496 25.857 14.405 1.00 0.00 C ATOM 290 O GLU A 18 16.626 25.410 14.577 1.00 0.00 O ATOM 291 CB GLU A 18 14.809 26.668 12.148 1.00 0.00 C ATOM 292 CG GLU A 18 14.053 27.711 11.333 1.00 0.00 C ATOM 293 CD GLU A 18 12.659 28.022 11.855 1.00 0.00 C ATOM 294 OE1 GLU A 18 11.911 27.051 12.112 1.00 0.00 O ATOM 295 OE2 GLU A 18 12.515 29.213 12.191 1.00 0.00 O ATOM 0 H GLU A 18 17.210 27.411 12.951 1.00 0.00 H new ATOM 0 HA GLU A 18 14.440 27.718 13.959 1.00 0.00 H new ATOM 0 HB2 GLU A 18 15.699 26.375 11.591 1.00 0.00 H new ATOM 0 HB3 GLU A 18 14.182 25.781 12.237 1.00 0.00 H new ATOM 0 HG2 GLU A 18 14.635 28.632 11.314 1.00 0.00 H new ATOM 0 HG3 GLU A 18 13.973 27.363 10.303 1.00 0.00 H new ATOM 302 N PRO A 19 14.506 25.257 15.069 1.00 0.00 N ATOM 303 CA PRO A 19 14.777 24.130 15.929 1.00 0.00 C ATOM 304 C PRO A 19 15.162 22.860 15.161 1.00 0.00 C ATOM 305 O PRO A 19 15.898 22.068 15.743 1.00 0.00 O ATOM 306 CB PRO A 19 13.506 23.928 16.750 1.00 0.00 C ATOM 307 CG PRO A 19 12.400 24.481 15.851 1.00 0.00 C ATOM 308 CD PRO A 19 13.107 25.623 15.131 1.00 0.00 C ATOM 0 HA PRO A 19 15.643 24.332 16.559 1.00 0.00 H new ATOM 0 HB2 PRO A 19 13.343 22.876 16.983 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.554 24.461 17.699 1.00 0.00 H new ATOM 0 HG2 PRO A 19 12.028 23.729 15.155 1.00 0.00 H new ATOM 0 HG3 PRO A 19 11.544 24.832 16.428 1.00 0.00 H new ATOM 0 HD2 PRO A 19 12.697 25.766 14.131 1.00 0.00 H new ATOM 0 HD3 PRO A 19 12.974 26.563 15.667 1.00 0.00 H new ATOM 316 N SER A 20 14.751 22.701 13.902 1.00 0.00 N ATOM 317 CA SER A 20 15.083 21.662 12.965 1.00 0.00 C ATOM 318 C SER A 20 16.459 21.797 12.316 1.00 0.00 C ATOM 319 O SER A 20 16.789 20.962 11.478 1.00 0.00 O ATOM 320 CB SER A 20 14.013 21.832 11.880 1.00 0.00 C ATOM 321 OG SER A 20 13.907 23.132 11.350 1.00 0.00 O ATOM 0 H SER A 20 14.110 23.376 13.484 1.00 0.00 H new ATOM 0 HA SER A 20 15.112 20.696 13.469 1.00 0.00 H new ATOM 0 HB2 SER A 20 14.229 21.140 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.047 21.545 12.295 1.00 0.00 H new ATOM 0 HG SER A 20 13.205 23.150 10.666 1.00 0.00 H new ATOM 327 N ASP A 21 17.164 22.861 12.685 1.00 0.00 N ATOM 328 CA ASP A 21 18.545 23.103 12.297 1.00 0.00 C ATOM 329 C ASP A 21 19.489 22.235 13.132 1.00 0.00 C ATOM 330 O ASP A 21 19.261 21.858 14.270 1.00 0.00 O ATOM 331 CB ASP A 21 18.887 24.582 12.475 1.00 0.00 C ATOM 332 CG ASP A 21 20.159 25.164 11.874 1.00 0.00 C ATOM 333 OD1 ASP A 21 20.747 24.462 11.020 1.00 0.00 O ATOM 334 OD2 ASP A 21 20.589 26.276 12.240 1.00 0.00 O ATOM 0 H ASP A 21 16.779 23.597 13.277 1.00 0.00 H new ATOM 0 HA ASP A 21 18.668 22.838 11.247 1.00 0.00 H new ATOM 0 HB2 ASP A 21 18.051 25.155 12.073 1.00 0.00 H new ATOM 0 HB3 ASP A 21 18.921 24.777 13.547 1.00 0.00 H new ATOM 339 N THR A 22 20.585 21.903 12.443 1.00 0.00 N ATOM 340 CA THR A 22 21.510 20.839 12.784 1.00 0.00 C ATOM 341 C THR A 22 22.789 21.540 13.252 1.00 0.00 C ATOM 342 O THR A 22 23.238 22.562 12.731 1.00 0.00 O ATOM 343 CB THR A 22 21.637 19.890 11.597 1.00 0.00 C ATOM 344 OG1 THR A 22 22.302 18.696 11.945 1.00 0.00 O ATOM 345 CG2 THR A 22 22.296 20.477 10.353 1.00 0.00 C ATOM 0 H THR A 22 20.857 22.398 11.593 1.00 0.00 H new ATOM 0 HA THR A 22 21.188 20.187 13.596 1.00 0.00 H new ATOM 0 HB THR A 22 20.599 19.687 11.332 1.00 0.00 H new ATOM 0 HG1 THR A 22 22.187 18.525 12.903 1.00 0.00 H new ATOM 0 HG21 THR A 22 22.336 19.719 9.570 1.00 0.00 H new ATOM 0 HG22 THR A 22 21.716 21.331 10.002 1.00 0.00 H new ATOM 0 HG23 THR A 22 23.308 20.801 10.596 1.00 0.00 H new ATOM 353 N ILE A 23 23.375 20.869 14.236 1.00 0.00 N ATOM 354 CA ILE A 23 24.492 21.299 15.054 1.00 0.00 C ATOM 355 C ILE A 23 25.737 21.740 14.272 1.00 0.00 C ATOM 356 O ILE A 23 26.309 22.652 14.860 1.00 0.00 O ATOM 357 CB ILE A 23 24.855 20.098 15.928 1.00 0.00 C ATOM 358 CG1 ILE A 23 23.736 19.772 16.916 1.00 0.00 C ATOM 359 CG2 ILE A 23 26.178 20.262 16.672 1.00 0.00 C ATOM 360 CD1 ILE A 23 23.356 20.893 17.885 1.00 0.00 C ATOM 0 H ILE A 23 23.053 19.938 14.500 1.00 0.00 H new ATOM 0 HA ILE A 23 24.183 22.183 15.612 1.00 0.00 H new ATOM 0 HB ILE A 23 24.982 19.264 15.238 1.00 0.00 H new ATOM 0 HG12 ILE A 23 22.848 19.490 16.350 1.00 0.00 H new ATOM 0 HG13 ILE A 23 24.033 18.900 17.498 1.00 0.00 H new ATOM 0 HG21 ILE A 23 26.371 19.372 17.272 1.00 0.00 H new ATOM 0 HG22 ILE A 23 26.986 20.397 15.953 1.00 0.00 H new ATOM 0 HG23 ILE A 23 26.123 21.134 17.324 1.00 0.00 H new ATOM 0 HD11 ILE A 23 22.553 20.552 18.539 1.00 0.00 H new ATOM 0 HD12 ILE A 23 24.224 21.164 18.487 1.00 0.00 H new ATOM 0 HD13 ILE A 23 23.020 21.763 17.321 1.00 0.00 H new ATOM 372 N GLU A 24 26.122 21.274 13.081 1.00 0.00 N ATOM 373 CA GLU A 24 27.221 21.841 12.322 1.00 0.00 C ATOM 374 C GLU A 24 26.949 23.266 11.850 1.00 0.00 C ATOM 375 O GLU A 24 27.884 24.062 11.876 1.00 0.00 O ATOM 376 CB GLU A 24 27.401 20.938 11.095 1.00 0.00 C ATOM 377 CG GLU A 24 28.671 21.100 10.252 1.00 0.00 C ATOM 378 CD GLU A 24 29.134 19.789 9.637 1.00 0.00 C ATOM 379 OE1 GLU A 24 28.349 19.290 8.806 1.00 0.00 O ATOM 380 OE2 GLU A 24 30.230 19.295 10.004 1.00 0.00 O ATOM 0 H GLU A 24 25.670 20.485 12.619 1.00 0.00 H new ATOM 0 HA GLU A 24 28.106 21.890 12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 24 27.358 19.903 11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 24 26.545 21.094 10.439 1.00 0.00 H new ATOM 0 HG2 GLU A 24 28.486 21.824 9.459 1.00 0.00 H new ATOM 0 HG3 GLU A 24 29.467 21.506 10.875 1.00 0.00 H new ATOM 387 N ASN A 25 25.676 23.535 11.543 1.00 0.00 N ATOM 388 CA ASN A 25 25.243 24.797 10.996 1.00 0.00 C ATOM 389 C ASN A 25 25.112 25.789 12.164 1.00 0.00 C ATOM 390 O ASN A 25 25.084 26.975 11.851 1.00 0.00 O ATOM 391 CB ASN A 25 23.896 24.578 10.295 1.00 0.00 C ATOM 392 CG ASN A 25 23.542 25.722 9.361 1.00 0.00 C ATOM 393 OD1 ASN A 25 24.319 26.199 8.538 1.00 0.00 O ATOM 394 ND2 ASN A 25 22.296 26.169 9.509 1.00 0.00 N ATOM 0 H ASN A 25 24.918 22.865 11.674 1.00 0.00 H new ATOM 0 HA ASN A 25 25.950 25.195 10.268 1.00 0.00 H new ATOM 0 HB2 ASN A 25 23.930 23.647 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 25 23.112 24.467 11.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 21.956 26.935 8.927 1.00 0.00 H new ATOM 0 HD22 ASN A 25 21.682 25.746 10.204 1.00 0.00 H new ATOM 401 N VAL A 26 25.060 25.380 13.426 1.00 0.00 N ATOM 402 CA VAL A 26 25.114 26.202 14.615 1.00 0.00 C ATOM 403 C VAL A 26 26.554 26.607 14.925 1.00 0.00 C ATOM 404 O VAL A 26 26.784 27.804 15.091 1.00 0.00 O ATOM 405 CB VAL A 26 24.478 25.398 15.762 1.00 0.00 C ATOM 406 CG1 VAL A 26 24.430 26.239 17.030 1.00 0.00 C ATOM 407 CG2 VAL A 26 23.019 24.974 15.567 1.00 0.00 C ATOM 0 H VAL A 26 24.972 24.390 13.655 1.00 0.00 H new ATOM 0 HA VAL A 26 24.561 27.130 14.473 1.00 0.00 H new ATOM 0 HB VAL A 26 25.111 24.512 15.806 1.00 0.00 H new ATOM 0 HG11 VAL A 26 23.978 25.659 17.834 1.00 0.00 H new ATOM 0 HG12 VAL A 26 25.442 26.526 17.315 1.00 0.00 H new ATOM 0 HG13 VAL A 26 23.836 27.135 16.850 1.00 0.00 H new ATOM 0 HG21 VAL A 26 22.683 24.415 16.440 1.00 0.00 H new ATOM 0 HG22 VAL A 26 22.396 25.860 15.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 22.938 24.345 14.680 1.00 0.00 H new ATOM 417 N LYS A 27 27.453 25.627 15.019 1.00 0.00 N ATOM 418 CA LYS A 27 28.873 25.787 15.235 1.00 0.00 C ATOM 419 C LYS A 27 29.546 26.591 14.111 1.00 0.00 C ATOM 420 O LYS A 27 30.421 27.390 14.446 1.00 0.00 O ATOM 421 CB LYS A 27 29.591 24.450 15.342 1.00 0.00 C ATOM 422 CG LYS A 27 29.036 23.587 16.478 1.00 0.00 C ATOM 423 CD LYS A 27 29.330 22.088 16.396 1.00 0.00 C ATOM 424 CE LYS A 27 30.799 21.693 16.480 1.00 0.00 C ATOM 425 NZ LYS A 27 31.040 20.243 16.380 1.00 0.00 N ATOM 0 H LYS A 27 27.183 24.646 14.940 1.00 0.00 H new ATOM 0 HA LYS A 27 28.958 26.329 16.177 1.00 0.00 H new ATOM 0 HB2 LYS A 27 29.496 23.912 14.399 1.00 0.00 H new ATOM 0 HB3 LYS A 27 30.655 24.622 15.505 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.436 23.963 17.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.955 23.722 16.514 1.00 0.00 H new ATOM 0 HD2 LYS A 27 28.792 21.587 17.201 1.00 0.00 H new ATOM 0 HD3 LYS A 27 28.925 21.709 15.458 1.00 0.00 H new ATOM 0 HE2 LYS A 27 31.346 22.197 15.683 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.208 22.054 17.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 32.033 20.039 16.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 30.418 19.741 17.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 30.840 19.924 15.411 1.00 0.00 H new ATOM 439 N ALA A 28 29.131 26.401 12.865 1.00 0.00 N ATOM 440 CA ALA A 28 29.662 27.109 11.713 1.00 0.00 C ATOM 441 C ALA A 28 29.098 28.523 11.669 1.00 0.00 C ATOM 442 O ALA A 28 29.781 29.344 11.045 1.00 0.00 O ATOM 443 CB ALA A 28 29.264 26.364 10.437 1.00 0.00 C ATOM 0 H ALA A 28 28.398 25.734 12.624 1.00 0.00 H new ATOM 0 HA ALA A 28 30.748 27.159 11.789 1.00 0.00 H new ATOM 0 HB1 ALA A 28 29.660 26.891 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 28 29.671 25.353 10.464 1.00 0.00 H new ATOM 0 HB3 ALA A 28 28.177 26.316 10.368 1.00 0.00 H new ATOM 449 N LYS A 29 28.109 28.917 12.458 1.00 0.00 N ATOM 450 CA LYS A 29 27.489 30.222 12.544 1.00 0.00 C ATOM 451 C LYS A 29 28.214 31.048 13.605 1.00 0.00 C ATOM 452 O LYS A 29 28.612 32.189 13.329 1.00 0.00 O ATOM 453 CB LYS A 29 26.036 30.124 13.018 1.00 0.00 C ATOM 454 CG LYS A 29 25.210 31.347 12.606 1.00 0.00 C ATOM 455 CD LYS A 29 23.740 31.236 13.027 1.00 0.00 C ATOM 456 CE LYS A 29 22.968 32.540 12.827 1.00 0.00 C ATOM 457 NZ LYS A 29 21.535 32.343 12.593 1.00 0.00 N ATOM 0 H LYS A 29 27.683 28.264 13.116 1.00 0.00 H new ATOM 0 HA LYS A 29 27.537 30.669 11.551 1.00 0.00 H new ATOM 0 HB2 LYS A 29 25.581 29.224 12.605 1.00 0.00 H new ATOM 0 HB3 LYS A 29 26.015 30.022 14.103 1.00 0.00 H new ATOM 0 HG2 LYS A 29 25.645 32.241 13.052 1.00 0.00 H new ATOM 0 HG3 LYS A 29 25.266 31.471 11.524 1.00 0.00 H new ATOM 0 HD2 LYS A 29 23.261 30.443 12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.688 30.945 14.076 1.00 0.00 H new ATOM 0 HE2 LYS A 29 23.101 33.170 13.707 1.00 0.00 H new ATOM 0 HE3 LYS A 29 23.395 33.079 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 21.065 33.268 12.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 21.397 31.811 11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 21.124 31.810 13.386 1.00 0.00 H new ATOM 471 N ILE A 30 28.639 30.416 14.686 1.00 0.00 N ATOM 472 CA ILE A 30 29.497 30.905 15.743 1.00 0.00 C ATOM 473 C ILE A 30 30.886 31.179 15.161 1.00 0.00 C ATOM 474 O ILE A 30 31.530 32.136 15.587 1.00 0.00 O ATOM 475 CB ILE A 30 29.430 29.871 16.858 1.00 0.00 C ATOM 476 CG1 ILE A 30 28.079 30.084 17.534 1.00 0.00 C ATOM 477 CG2 ILE A 30 30.471 30.004 17.969 1.00 0.00 C ATOM 478 CD1 ILE A 30 27.714 28.974 18.521 1.00 0.00 C ATOM 0 H ILE A 30 28.361 29.450 14.859 1.00 0.00 H new ATOM 0 HA ILE A 30 29.190 31.858 16.173 1.00 0.00 H new ATOM 0 HB ILE A 30 29.602 28.902 16.390 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.090 31.039 18.060 1.00 0.00 H new ATOM 0 HG13 ILE A 30 27.305 30.150 16.770 1.00 0.00 H new ATOM 0 HG21 ILE A 30 30.322 29.213 18.704 1.00 0.00 H new ATOM 0 HG22 ILE A 30 31.471 29.920 17.543 1.00 0.00 H new ATOM 0 HG23 ILE A 30 30.364 30.974 18.454 1.00 0.00 H new ATOM 0 HD11 ILE A 30 26.742 29.188 18.966 1.00 0.00 H new ATOM 0 HD12 ILE A 30 27.671 28.020 17.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 28.469 28.922 19.306 1.00 0.00 H new ATOM 490 N GLN A 31 31.463 30.376 14.270 1.00 0.00 N ATOM 491 CA GLN A 31 32.637 30.722 13.499 1.00 0.00 C ATOM 492 C GLN A 31 32.576 32.049 12.724 1.00 0.00 C ATOM 493 O GLN A 31 33.427 32.884 12.989 1.00 0.00 O ATOM 494 CB GLN A 31 32.989 29.607 12.505 1.00 0.00 C ATOM 495 CG GLN A 31 34.320 29.793 11.784 1.00 0.00 C ATOM 496 CD GLN A 31 34.488 28.946 10.522 1.00 0.00 C ATOM 497 OE1 GLN A 31 33.632 28.134 10.190 1.00 0.00 O ATOM 498 NE2 GLN A 31 35.703 28.968 9.980 1.00 0.00 N ATOM 0 H GLN A 31 31.110 29.441 14.064 1.00 0.00 H new ATOM 0 HA GLN A 31 33.405 30.849 14.262 1.00 0.00 H new ATOM 0 HB2 GLN A 31 33.010 28.657 13.038 1.00 0.00 H new ATOM 0 HB3 GLN A 31 32.195 29.538 11.761 1.00 0.00 H new ATOM 0 HG2 GLN A 31 34.429 30.844 11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 31 35.128 29.555 12.475 1.00 0.00 H new ATOM 0 HE21 GLN A 31 36.385 29.662 10.286 1.00 0.00 H new ATOM 0 HE22 GLN A 31 35.952 28.291 9.258 1.00 0.00 H new ATOM 507 N ASP A 32 31.517 32.359 11.981 1.00 0.00 N ATOM 508 CA ASP A 32 31.289 33.642 11.345 1.00 0.00 C ATOM 509 C ASP A 32 31.076 34.815 12.304 1.00 0.00 C ATOM 510 O ASP A 32 31.552 35.903 11.998 1.00 0.00 O ATOM 511 CB ASP A 32 30.114 33.607 10.373 1.00 0.00 C ATOM 512 CG ASP A 32 29.423 34.897 9.961 1.00 0.00 C ATOM 513 OD1 ASP A 32 28.387 35.315 10.524 1.00 0.00 O ATOM 514 OD2 ASP A 32 29.791 35.376 8.865 1.00 0.00 O ATOM 0 H ASP A 32 30.767 31.692 11.802 1.00 0.00 H new ATOM 0 HA ASP A 32 32.224 33.817 10.813 1.00 0.00 H new ATOM 0 HB2 ASP A 32 30.463 33.122 9.461 1.00 0.00 H new ATOM 0 HB3 ASP A 32 29.354 32.958 10.808 1.00 0.00 H new ATOM 519 N LYS A 33 30.317 34.595 13.374 1.00 0.00 N ATOM 520 CA LYS A 33 29.989 35.647 14.313 1.00 0.00 C ATOM 521 C LYS A 33 31.135 35.963 15.274 1.00 0.00 C ATOM 522 O LYS A 33 31.217 37.098 15.749 1.00 0.00 O ATOM 523 CB LYS A 33 28.766 35.190 15.107 1.00 0.00 C ATOM 524 CG LYS A 33 27.486 35.201 14.264 1.00 0.00 C ATOM 525 CD LYS A 33 26.824 36.579 14.136 1.00 0.00 C ATOM 526 CE LYS A 33 26.015 36.827 12.869 1.00 0.00 C ATOM 527 NZ LYS A 33 26.953 37.116 11.771 1.00 0.00 N ATOM 0 H LYS A 33 29.917 33.686 13.608 1.00 0.00 H new ATOM 0 HA LYS A 33 29.792 36.562 13.755 1.00 0.00 H new ATOM 0 HB2 LYS A 33 28.939 34.183 15.488 1.00 0.00 H new ATOM 0 HB3 LYS A 33 28.634 35.840 15.972 1.00 0.00 H new ATOM 0 HG2 LYS A 33 27.719 34.829 13.266 1.00 0.00 H new ATOM 0 HG3 LYS A 33 26.770 34.507 14.704 1.00 0.00 H new ATOM 0 HD2 LYS A 33 26.168 36.724 14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 33 27.603 37.339 14.198 1.00 0.00 H new ATOM 0 HE2 LYS A 33 25.407 35.954 12.630 1.00 0.00 H new ATOM 0 HE3 LYS A 33 25.330 37.663 13.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 26.450 37.609 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 27.724 37.718 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 27.348 36.225 11.408 1.00 0.00 H new ATOM 541 N GLU A 34 31.865 34.937 15.697 1.00 0.00 N ATOM 542 CA GLU A 34 32.843 34.956 16.758 1.00 0.00 C ATOM 543 C GLU A 34 34.260 34.485 16.430 1.00 0.00 C ATOM 544 O GLU A 34 35.225 34.905 17.076 1.00 0.00 O ATOM 545 CB GLU A 34 32.209 34.428 18.045 1.00 0.00 C ATOM 546 CG GLU A 34 31.548 35.487 18.939 1.00 0.00 C ATOM 547 CD GLU A 34 32.346 36.677 19.440 1.00 0.00 C ATOM 548 OE1 GLU A 34 33.344 36.485 20.164 1.00 0.00 O ATOM 549 OE2 GLU A 34 31.946 37.798 19.049 1.00 0.00 O ATOM 0 H GLU A 34 31.777 34.013 15.274 1.00 0.00 H new ATOM 0 HA GLU A 34 33.103 36.001 16.927 1.00 0.00 H new ATOM 0 HB2 GLU A 34 31.460 33.682 17.781 1.00 0.00 H new ATOM 0 HB3 GLU A 34 32.977 33.917 18.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 30.691 35.881 18.392 1.00 0.00 H new ATOM 0 HG3 GLU A 34 31.156 34.970 19.815 1.00 0.00 H new ATOM 556 N GLY A 35 34.537 33.522 15.558 1.00 0.00 N ATOM 557 CA GLY A 35 35.779 33.181 14.890 1.00 0.00 C ATOM 558 C GLY A 35 36.481 31.916 15.380 1.00 0.00 C ATOM 559 O GLY A 35 37.657 31.965 15.700 1.00 0.00 O ATOM 0 H GLY A 35 33.797 32.883 15.269 1.00 0.00 H new ATOM 0 HA2 GLY A 35 35.576 33.070 13.825 1.00 0.00 H new ATOM 0 HA3 GLY A 35 36.468 34.019 14.998 1.00 0.00 H new ATOM 563 N ILE A 36 35.784 30.827 15.700 1.00 0.00 N ATOM 564 CA ILE A 36 36.368 29.580 16.156 1.00 0.00 C ATOM 565 C ILE A 36 35.910 28.456 15.222 1.00 0.00 C ATOM 566 O ILE A 36 34.734 28.447 14.892 1.00 0.00 O ATOM 567 CB ILE A 36 35.905 29.361 17.598 1.00 0.00 C ATOM 568 CG1 ILE A 36 36.204 30.518 18.553 1.00 0.00 C ATOM 569 CG2 ILE A 36 36.405 28.075 18.272 1.00 0.00 C ATOM 570 CD1 ILE A 36 35.083 30.663 19.586 1.00 0.00 C ATOM 0 H ILE A 36 34.766 30.794 15.645 1.00 0.00 H new ATOM 0 HA ILE A 36 37.458 29.599 16.136 1.00 0.00 H new ATOM 0 HB ILE A 36 34.830 29.280 17.440 1.00 0.00 H new ATOM 0 HG12 ILE A 36 37.153 30.343 19.060 1.00 0.00 H new ATOM 0 HG13 ILE A 36 36.309 31.445 17.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 36.017 28.023 19.289 1.00 0.00 H new ATOM 0 HG22 ILE A 36 36.059 27.210 17.707 1.00 0.00 H new ATOM 0 HG23 ILE A 36 37.495 28.079 18.299 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.312 31.491 20.257 1.00 0.00 H new ATOM 0 HD12 ILE A 36 34.141 30.860 19.075 1.00 0.00 H new ATOM 0 HD13 ILE A 36 34.998 29.742 20.162 1.00 0.00 H new ATOM 582 N PRO A 37 36.834 27.577 14.821 1.00 0.00 N ATOM 583 CA PRO A 37 36.449 26.526 13.902 1.00 0.00 C ATOM 584 C PRO A 37 35.678 25.389 14.574 1.00 0.00 C ATOM 585 O PRO A 37 35.905 25.053 15.725 1.00 0.00 O ATOM 586 CB PRO A 37 37.758 26.002 13.297 1.00 0.00 C ATOM 587 CG PRO A 37 38.789 26.264 14.382 1.00 0.00 C ATOM 588 CD PRO A 37 38.268 27.557 15.016 1.00 0.00 C ATOM 0 HA PRO A 37 35.768 26.924 13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 37 37.691 24.941 13.057 1.00 0.00 H new ATOM 0 HB3 PRO A 37 38.008 26.523 12.373 1.00 0.00 H new ATOM 0 HG2 PRO A 37 38.838 25.448 15.103 1.00 0.00 H new ATOM 0 HG3 PRO A 37 39.791 26.387 13.971 1.00 0.00 H new ATOM 0 HD2 PRO A 37 38.513 27.592 16.077 1.00 0.00 H new ATOM 0 HD3 PRO A 37 38.732 28.428 14.553 1.00 0.00 H new ATOM 596 N PRO A 38 34.602 24.849 14.003 1.00 0.00 N ATOM 597 CA PRO A 38 33.765 23.814 14.568 1.00 0.00 C ATOM 598 C PRO A 38 34.429 22.605 15.229 1.00 0.00 C ATOM 599 O PRO A 38 33.897 22.160 16.243 1.00 0.00 O ATOM 600 CB PRO A 38 32.910 23.294 13.406 1.00 0.00 C ATOM 601 CG PRO A 38 32.834 24.542 12.528 1.00 0.00 C ATOM 602 CD PRO A 38 34.230 25.140 12.626 1.00 0.00 C ATOM 0 HA PRO A 38 33.239 24.292 15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 38 33.378 22.454 12.892 1.00 0.00 H new ATOM 0 HB3 PRO A 38 31.926 22.959 13.734 1.00 0.00 H new ATOM 0 HG2 PRO A 38 32.577 24.292 11.499 1.00 0.00 H new ATOM 0 HG3 PRO A 38 32.075 25.237 12.886 1.00 0.00 H new ATOM 0 HD2 PRO A 38 34.918 24.683 11.915 1.00 0.00 H new ATOM 0 HD3 PRO A 38 34.228 26.211 12.424 1.00 0.00 H new ATOM 610 N ASP A 39 35.618 22.212 14.769 1.00 0.00 N ATOM 611 CA ASP A 39 36.201 20.942 15.155 1.00 0.00 C ATOM 612 C ASP A 39 36.938 21.167 16.482 1.00 0.00 C ATOM 613 O ASP A 39 37.364 20.192 17.099 1.00 0.00 O ATOM 614 CB ASP A 39 37.199 20.402 14.134 1.00 0.00 C ATOM 615 CG ASP A 39 38.398 21.279 13.821 1.00 0.00 C ATOM 616 OD1 ASP A 39 38.200 22.428 13.353 1.00 0.00 O ATOM 617 OD2 ASP A 39 39.559 20.837 13.966 1.00 0.00 O ATOM 0 H ASP A 39 36.191 22.761 14.128 1.00 0.00 H new ATOM 0 HA ASP A 39 35.398 20.209 15.232 1.00 0.00 H new ATOM 0 HB2 ASP A 39 37.566 19.440 14.493 1.00 0.00 H new ATOM 0 HB3 ASP A 39 36.664 20.212 13.203 1.00 0.00 H new ATOM 622 N GLN A 40 37.092 22.428 16.871 1.00 0.00 N ATOM 623 CA GLN A 40 37.657 22.949 18.093 1.00 0.00 C ATOM 624 C GLN A 40 36.587 23.320 19.125 1.00 0.00 C ATOM 625 O GLN A 40 37.004 23.557 20.257 1.00 0.00 O ATOM 626 CB GLN A 40 38.493 24.198 17.820 1.00 0.00 C ATOM 627 CG GLN A 40 39.563 24.567 18.843 1.00 0.00 C ATOM 628 CD GLN A 40 40.579 25.537 18.275 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.242 26.514 17.599 1.00 0.00 O ATOM 630 NE2 GLN A 40 41.867 25.209 18.352 1.00 0.00 N ATOM 0 H GLN A 40 36.787 23.188 16.263 1.00 0.00 H new ATOM 0 HA GLN A 40 38.278 22.149 18.496 1.00 0.00 H new ATOM 0 HB2 GLN A 40 38.981 24.071 16.854 1.00 0.00 H new ATOM 0 HB3 GLN A 40 37.812 25.044 17.725 1.00 0.00 H new ATOM 0 HG2 GLN A 40 39.090 25.009 19.720 1.00 0.00 H new ATOM 0 HG3 GLN A 40 40.072 23.663 19.178 1.00 0.00 H new ATOM 0 HE21 GLN A 40 42.156 24.404 18.908 1.00 0.00 H new ATOM 0 HE22 GLN A 40 42.565 25.763 17.855 1.00 0.00 H new ATOM 639 N GLN A 41 35.285 23.235 18.895 1.00 0.00 N ATOM 640 CA GLN A 41 34.204 23.708 19.747 1.00 0.00 C ATOM 641 C GLN A 41 33.584 22.431 20.316 1.00 0.00 C ATOM 642 O GLN A 41 33.127 21.534 19.614 1.00 0.00 O ATOM 643 CB GLN A 41 33.189 24.357 18.803 1.00 0.00 C ATOM 644 CG GLN A 41 33.484 25.770 18.274 1.00 0.00 C ATOM 645 CD GLN A 41 32.388 26.365 17.406 1.00 0.00 C ATOM 646 OE1 GLN A 41 31.220 26.233 17.770 1.00 0.00 O ATOM 647 NE2 GLN A 41 32.706 27.040 16.299 1.00 0.00 N ATOM 0 H GLN A 41 34.930 22.801 18.043 1.00 0.00 H new ATOM 0 HA GLN A 41 34.511 24.402 20.530 1.00 0.00 H new ATOM 0 HB2 GLN A 41 33.067 23.699 17.943 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.229 24.389 19.318 1.00 0.00 H new ATOM 0 HG2 GLN A 41 33.656 26.432 19.123 1.00 0.00 H new ATOM 0 HG3 GLN A 41 34.409 25.742 17.699 1.00 0.00 H new ATOM 0 HE21 GLN A 41 33.683 27.133 16.022 1.00 0.00 H new ATOM 0 HE22 GLN A 41 31.972 27.462 15.731 1.00 0.00 H new ATOM 656 N ARG A 42 33.359 22.427 21.631 1.00 0.00 N ATOM 657 CA ARG A 42 32.253 21.640 22.130 1.00 0.00 C ATOM 658 C ARG A 42 31.181 22.565 22.723 1.00 0.00 C ATOM 659 O ARG A 42 31.441 23.430 23.552 1.00 0.00 O ATOM 660 CB ARG A 42 32.719 20.692 23.232 1.00 0.00 C ATOM 661 CG ARG A 42 33.773 19.655 22.834 1.00 0.00 C ATOM 662 CD ARG A 42 34.413 18.925 24.013 1.00 0.00 C ATOM 663 NE ARG A 42 34.866 17.604 23.566 1.00 0.00 N ATOM 664 CZ ARG A 42 36.039 17.035 23.865 1.00 0.00 C ATOM 665 NH1 ARG A 42 36.971 17.671 24.598 1.00 0.00 N ATOM 666 NH2 ARG A 42 36.388 15.895 23.267 1.00 0.00 N ATOM 0 H ARG A 42 33.901 22.934 22.331 1.00 0.00 H new ATOM 0 HA ARG A 42 31.847 21.066 21.297 1.00 0.00 H new ATOM 0 HB2 ARG A 42 33.119 21.290 24.051 1.00 0.00 H new ATOM 0 HB3 ARG A 42 31.848 20.163 23.619 1.00 0.00 H new ATOM 0 HG2 ARG A 42 33.312 18.920 22.174 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.556 20.151 22.261 1.00 0.00 H new ATOM 0 HD2 ARG A 42 35.254 19.500 24.401 1.00 0.00 H new ATOM 0 HD3 ARG A 42 33.695 18.822 24.827 1.00 0.00 H new ATOM 0 HE ARG A 42 34.229 17.071 22.974 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.793 18.614 24.943 1.00 0.00 H new ATOM 0 HH12 ARG A 42 37.856 17.210 24.809 1.00 0.00 H new ATOM 0 HH21 ARG A 42 35.762 15.463 22.587 1.00 0.00 H new ATOM 0 HH22 ARG A 42 37.281 15.455 23.490 1.00 0.00 H new ATOM 680 N LEU A 43 29.922 22.378 22.318 1.00 0.00 N ATOM 681 CA LEU A 43 28.734 22.989 22.880 1.00 0.00 C ATOM 682 C LEU A 43 28.050 21.958 23.785 1.00 0.00 C ATOM 683 O LEU A 43 27.826 20.845 23.324 1.00 0.00 O ATOM 684 CB LEU A 43 27.878 23.378 21.684 1.00 0.00 C ATOM 685 CG LEU A 43 28.249 24.541 20.754 1.00 0.00 C ATOM 686 CD1 LEU A 43 27.453 24.417 19.456 1.00 0.00 C ATOM 687 CD2 LEU A 43 27.857 25.921 21.267 1.00 0.00 C ATOM 0 H LEU A 43 29.701 21.756 21.540 1.00 0.00 H new ATOM 0 HA LEU A 43 28.932 23.869 23.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 27.795 22.490 21.057 1.00 0.00 H new ATOM 0 HB3 LEU A 43 26.881 23.591 22.069 1.00 0.00 H new ATOM 0 HG LEU A 43 29.332 24.470 20.655 1.00 0.00 H new ATOM 0 HD11 LEU A 43 27.712 25.240 18.790 1.00 0.00 H new ATOM 0 HD12 LEU A 43 27.692 23.470 18.972 1.00 0.00 H new ATOM 0 HD13 LEU A 43 26.387 24.452 19.678 1.00 0.00 H new ATOM 0 HD21 LEU A 43 28.160 26.678 20.543 1.00 0.00 H new ATOM 0 HD22 LEU A 43 26.777 25.964 21.407 1.00 0.00 H new ATOM 0 HD23 LEU A 43 28.354 26.110 22.219 1.00 0.00 H new ATOM 699 N ILE A 44 27.895 22.281 25.059 1.00 0.00 N ATOM 700 CA ILE A 44 27.171 21.576 26.104 1.00 0.00 C ATOM 701 C ILE A 44 25.780 22.187 26.274 1.00 0.00 C ATOM 702 O ILE A 44 25.808 23.394 26.485 1.00 0.00 O ATOM 703 CB ILE A 44 27.914 21.461 27.431 1.00 0.00 C ATOM 704 CG1 ILE A 44 29.429 21.320 27.248 1.00 0.00 C ATOM 705 CG2 ILE A 44 27.480 20.366 28.404 1.00 0.00 C ATOM 706 CD1 ILE A 44 29.923 20.172 26.364 1.00 0.00 C ATOM 0 H ILE A 44 28.318 23.134 25.424 1.00 0.00 H new ATOM 0 HA ILE A 44 27.075 20.543 25.769 1.00 0.00 H new ATOM 0 HB ILE A 44 27.633 22.410 27.887 1.00 0.00 H new ATOM 0 HG12 ILE A 44 29.807 22.254 26.832 1.00 0.00 H new ATOM 0 HG13 ILE A 44 29.879 21.205 28.234 1.00 0.00 H new ATOM 0 HG21 ILE A 44 28.099 20.409 29.300 1.00 0.00 H new ATOM 0 HG22 ILE A 44 26.435 20.515 28.677 1.00 0.00 H new ATOM 0 HG23 ILE A 44 27.596 19.391 27.930 1.00 0.00 H new ATOM 0 HD11 ILE A 44 31.012 20.189 26.321 1.00 0.00 H new ATOM 0 HD12 ILE A 44 29.591 19.222 26.782 1.00 0.00 H new ATOM 0 HD13 ILE A 44 29.518 20.287 25.359 1.00 0.00 H new ATOM 718 N PHE A 45 24.649 21.489 26.327 1.00 0.00 N ATOM 719 CA PHE A 45 23.477 21.968 27.029 1.00 0.00 C ATOM 720 C PHE A 45 23.323 21.025 28.219 1.00 0.00 C ATOM 721 O PHE A 45 23.470 19.807 28.107 1.00 0.00 O ATOM 722 CB PHE A 45 22.272 21.829 26.088 1.00 0.00 C ATOM 723 CG PHE A 45 20.957 22.339 26.627 1.00 0.00 C ATOM 724 CD1 PHE A 45 20.216 21.452 27.424 1.00 0.00 C ATOM 725 CD2 PHE A 45 20.592 23.696 26.590 1.00 0.00 C ATOM 726 CE1 PHE A 45 18.964 21.799 27.938 1.00 0.00 C ATOM 727 CE2 PHE A 45 19.411 24.070 27.233 1.00 0.00 C ATOM 728 CZ PHE A 45 18.603 23.151 27.920 1.00 0.00 C ATOM 0 H PHE A 45 24.526 20.579 25.884 1.00 0.00 H new ATOM 0 HA PHE A 45 23.553 23.008 27.347 1.00 0.00 H new ATOM 0 HB2 PHE A 45 22.494 22.360 25.162 1.00 0.00 H new ATOM 0 HB3 PHE A 45 22.154 20.776 25.831 1.00 0.00 H new ATOM 0 HD1 PHE A 45 20.624 20.477 27.645 1.00 0.00 H new ATOM 0 HD2 PHE A 45 21.205 24.425 26.081 1.00 0.00 H new ATOM 0 HE1 PHE A 45 18.297 21.049 28.336 1.00 0.00 H new ATOM 0 HE2 PHE A 45 19.107 25.106 27.201 1.00 0.00 H new ATOM 0 HZ PHE A 45 17.711 23.484 28.430 1.00 0.00 H new ATOM 738 N ALA A 46 23.038 21.595 29.387 1.00 0.00 N ATOM 739 CA ALA A 46 23.052 20.923 30.669 1.00 0.00 C ATOM 740 C ALA A 46 24.399 20.241 30.953 1.00 0.00 C ATOM 741 O ALA A 46 25.359 20.886 31.366 1.00 0.00 O ATOM 742 CB ALA A 46 21.848 20.003 30.802 1.00 0.00 C ATOM 0 H ALA A 46 22.781 22.579 29.461 1.00 0.00 H new ATOM 0 HA ALA A 46 22.955 21.672 31.455 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.875 19.506 31.772 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.932 20.588 30.719 1.00 0.00 H new ATOM 0 HB3 ALA A 46 21.873 19.254 30.010 1.00 0.00 H new ATOM 748 N GLY A 47 24.573 18.933 30.769 1.00 0.00 N ATOM 749 CA GLY A 47 25.770 18.139 30.588 1.00 0.00 C ATOM 750 C GLY A 47 25.673 17.157 29.428 1.00 0.00 C ATOM 751 O GLY A 47 26.512 16.277 29.245 1.00 0.00 O ATOM 0 H GLY A 47 23.753 18.328 30.741 1.00 0.00 H new ATOM 0 HA2 GLY A 47 26.617 18.804 30.421 1.00 0.00 H new ATOM 0 HA3 GLY A 47 25.974 17.587 31.506 1.00 0.00 H new ATOM 755 N LYS A 48 24.833 17.435 28.441 1.00 0.00 N ATOM 756 CA LYS A 48 24.624 16.712 27.206 1.00 0.00 C ATOM 757 C LYS A 48 25.515 17.352 26.140 1.00 0.00 C ATOM 758 O LYS A 48 25.250 18.503 25.782 1.00 0.00 O ATOM 759 CB LYS A 48 23.154 16.756 26.772 1.00 0.00 C ATOM 760 CG LYS A 48 22.260 15.748 27.493 1.00 0.00 C ATOM 761 CD LYS A 48 20.800 15.913 27.079 1.00 0.00 C ATOM 762 CE LYS A 48 19.818 15.098 27.926 1.00 0.00 C ATOM 763 NZ LYS A 48 19.857 15.344 29.371 1.00 0.00 N ATOM 0 H LYS A 48 24.225 18.252 28.496 1.00 0.00 H new ATOM 0 HA LYS A 48 24.881 15.662 27.346 1.00 0.00 H new ATOM 0 HB2 LYS A 48 22.765 17.759 26.945 1.00 0.00 H new ATOM 0 HB3 LYS A 48 23.098 16.573 25.699 1.00 0.00 H new ATOM 0 HG2 LYS A 48 22.593 14.735 27.267 1.00 0.00 H new ATOM 0 HG3 LYS A 48 22.353 15.881 28.571 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.531 16.967 27.143 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.694 15.620 26.035 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.808 15.300 27.570 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.011 14.039 27.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.077 14.832 29.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.764 15.011 29.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 19.757 16.363 29.552 1.00 0.00 H new ATOM 777 N GLN A 49 26.522 16.585 25.732 1.00 0.00 N ATOM 778 CA GLN A 49 27.413 16.993 24.665 1.00 0.00 C ATOM 779 C GLN A 49 26.786 16.854 23.286 1.00 0.00 C ATOM 780 O GLN A 49 26.898 15.778 22.703 1.00 0.00 O ATOM 781 CB GLN A 49 28.719 16.217 24.848 1.00 0.00 C ATOM 782 CG GLN A 49 29.273 16.438 26.253 1.00 0.00 C ATOM 783 CD GLN A 49 30.781 16.619 26.361 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.217 17.053 27.427 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.509 16.160 25.354 1.00 0.00 N ATOM 0 H GLN A 49 26.737 15.672 26.132 1.00 0.00 H new ATOM 0 HA GLN A 49 27.624 18.061 24.726 1.00 0.00 H new ATOM 0 HB2 GLN A 49 28.545 15.154 24.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 29.449 16.541 24.106 1.00 0.00 H new ATOM 0 HG2 GLN A 49 28.791 17.319 26.676 1.00 0.00 H new ATOM 0 HG3 GLN A 49 28.985 15.589 26.872 1.00 0.00 H new ATOM 0 HE21 GLN A 49 31.052 15.820 24.508 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.526 16.146 25.425 1.00 0.00 H new ATOM 794 N LEU A 50 26.262 17.979 22.795 1.00 0.00 N ATOM 795 CA LEU A 50 25.470 17.970 21.582 1.00 0.00 C ATOM 796 C LEU A 50 26.263 17.541 20.347 1.00 0.00 C ATOM 797 O LEU A 50 27.302 18.166 20.093 1.00 0.00 O ATOM 798 CB LEU A 50 24.881 19.382 21.447 1.00 0.00 C ATOM 799 CG LEU A 50 24.141 20.028 22.614 1.00 0.00 C ATOM 800 CD1 LEU A 50 23.718 21.436 22.179 1.00 0.00 C ATOM 801 CD2 LEU A 50 22.927 19.269 23.163 1.00 0.00 C ATOM 0 H LEU A 50 26.376 18.898 23.222 1.00 0.00 H new ATOM 0 HA LEU A 50 24.680 17.222 21.650 1.00 0.00 H new ATOM 0 HB2 LEU A 50 25.701 20.048 21.178 1.00 0.00 H new ATOM 0 HB3 LEU A 50 24.194 19.364 20.601 1.00 0.00 H new ATOM 0 HG LEU A 50 24.844 20.028 23.447 1.00 0.00 H new ATOM 0 HD11 LEU A 50 23.185 21.924 22.995 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.603 22.019 21.923 1.00 0.00 H new ATOM 0 HD13 LEU A 50 23.065 21.367 21.309 1.00 0.00 H new ATOM 0 HD21 LEU A 50 22.489 19.831 23.988 1.00 0.00 H new ATOM 0 HD22 LEU A 50 22.186 19.148 22.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 23.242 18.288 23.519 1.00 0.00 H new ATOM 813 N GLU A 51 25.832 16.576 19.547 1.00 0.00 N ATOM 814 CA GLU A 51 26.477 15.879 18.460 1.00 0.00 C ATOM 815 C GLU A 51 25.993 16.316 17.073 1.00 0.00 C ATOM 816 O GLU A 51 24.791 16.413 16.841 1.00 0.00 O ATOM 817 CB GLU A 51 26.383 14.365 18.676 1.00 0.00 C ATOM 818 CG GLU A 51 27.501 13.643 17.918 1.00 0.00 C ATOM 819 CD GLU A 51 27.223 12.170 17.665 1.00 0.00 C ATOM 820 OE1 GLU A 51 26.137 11.841 17.133 1.00 0.00 O ATOM 821 OE2 GLU A 51 28.025 11.338 18.137 1.00 0.00 O ATOM 0 H GLU A 51 24.884 16.219 19.671 1.00 0.00 H new ATOM 0 HA GLU A 51 27.530 16.160 18.474 1.00 0.00 H new ATOM 0 HB2 GLU A 51 26.452 14.139 19.740 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.413 14.003 18.336 1.00 0.00 H new ATOM 0 HG2 GLU A 51 27.659 14.142 16.962 1.00 0.00 H new ATOM 0 HG3 GLU A 51 28.428 13.736 18.483 1.00 0.00 H new ATOM 828 N ASP A 52 26.972 16.572 16.211 1.00 0.00 N ATOM 829 CA ASP A 52 26.927 17.019 14.831 1.00 0.00 C ATOM 830 C ASP A 52 26.241 15.949 13.980 1.00 0.00 C ATOM 831 O ASP A 52 26.685 14.812 14.072 1.00 0.00 O ATOM 832 CB ASP A 52 28.297 17.202 14.175 1.00 0.00 C ATOM 833 CG ASP A 52 29.259 18.082 14.958 1.00 0.00 C ATOM 834 OD1 ASP A 52 29.771 17.594 15.987 1.00 0.00 O ATOM 835 OD2 ASP A 52 29.529 19.234 14.553 1.00 0.00 O ATOM 0 H ASP A 52 27.940 16.454 16.508 1.00 0.00 H new ATOM 0 HA ASP A 52 26.411 17.978 14.868 1.00 0.00 H new ATOM 0 HB2 ASP A 52 28.753 16.222 14.036 1.00 0.00 H new ATOM 0 HB3 ASP A 52 28.156 17.632 13.183 1.00 0.00 H new ATOM 840 N GLY A 53 25.164 16.251 13.260 1.00 0.00 N ATOM 841 CA GLY A 53 24.437 15.274 12.486 1.00 0.00 C ATOM 842 C GLY A 53 23.017 15.087 13.014 1.00 0.00 C ATOM 843 O GLY A 53 22.173 14.522 12.324 1.00 0.00 O ATOM 0 H GLY A 53 24.775 17.192 13.203 1.00 0.00 H new ATOM 0 HA2 GLY A 53 24.400 15.589 11.443 1.00 0.00 H new ATOM 0 HA3 GLY A 53 24.965 14.321 12.513 1.00 0.00 H new ATOM 847 N ARG A 54 22.795 15.744 14.150 1.00 0.00 N ATOM 848 CA ARG A 54 21.517 15.931 14.815 1.00 0.00 C ATOM 849 C ARG A 54 21.067 17.370 15.062 1.00 0.00 C ATOM 850 O ARG A 54 21.752 18.298 14.636 1.00 0.00 O ATOM 851 CB ARG A 54 21.556 15.140 16.123 1.00 0.00 C ATOM 852 CG ARG A 54 21.212 13.667 15.958 1.00 0.00 C ATOM 853 CD ARG A 54 21.408 13.008 17.322 1.00 0.00 C ATOM 854 NE ARG A 54 22.785 12.709 17.706 1.00 0.00 N ATOM 855 CZ ARG A 54 23.107 12.179 18.900 1.00 0.00 C ATOM 856 NH1 ARG A 54 22.159 11.971 19.811 1.00 0.00 N ATOM 857 NH2 ARG A 54 24.349 11.744 19.147 1.00 0.00 N ATOM 0 H ARG A 54 23.558 16.188 14.661 1.00 0.00 H new ATOM 0 HA ARG A 54 20.760 15.564 14.122 1.00 0.00 H new ATOM 0 HB2 ARG A 54 22.551 15.225 16.559 1.00 0.00 H new ATOM 0 HB3 ARG A 54 20.859 15.590 16.830 1.00 0.00 H new ATOM 0 HG2 ARG A 54 20.184 13.547 15.616 1.00 0.00 H new ATOM 0 HG3 ARG A 54 21.854 13.202 15.209 1.00 0.00 H new ATOM 0 HD2 ARG A 54 20.975 13.659 18.081 1.00 0.00 H new ATOM 0 HD3 ARG A 54 20.839 12.078 17.337 1.00 0.00 H new ATOM 0 HE ARG A 54 23.533 12.910 17.042 1.00 0.00 H new ATOM 0 HH11 ARG A 54 21.190 12.213 19.603 1.00 0.00 H new ATOM 0 HH12 ARG A 54 22.401 11.569 20.717 1.00 0.00 H new ATOM 0 HH21 ARG A 54 25.066 11.812 18.425 1.00 0.00 H new ATOM 0 HH22 ARG A 54 24.578 11.345 20.057 1.00 0.00 H new ATOM 871 N THR A 55 19.861 17.658 15.549 1.00 0.00 N ATOM 872 CA THR A 55 19.250 18.965 15.612 1.00 0.00 C ATOM 873 C THR A 55 19.009 19.460 17.036 1.00 0.00 C ATOM 874 O THR A 55 19.326 18.686 17.942 1.00 0.00 O ATOM 875 CB THR A 55 18.036 18.977 14.682 1.00 0.00 C ATOM 876 OG1 THR A 55 17.037 18.042 15.033 1.00 0.00 O ATOM 877 CG2 THR A 55 18.410 18.762 13.213 1.00 0.00 C ATOM 0 H THR A 55 19.255 16.932 15.932 1.00 0.00 H new ATOM 0 HA THR A 55 19.945 19.719 15.242 1.00 0.00 H new ATOM 0 HB THR A 55 17.627 19.979 14.809 1.00 0.00 H new ATOM 0 HG1 THR A 55 17.427 17.144 15.066 1.00 0.00 H new ATOM 0 HG21 THR A 55 17.508 18.780 12.601 1.00 0.00 H new ATOM 0 HG22 THR A 55 19.084 19.555 12.889 1.00 0.00 H new ATOM 0 HG23 THR A 55 18.905 17.797 13.101 1.00 0.00 H new ATOM 885 N LEU A 56 18.532 20.688 17.219 1.00 0.00 N ATOM 886 CA LEU A 56 18.144 21.110 18.547 1.00 0.00 C ATOM 887 C LEU A 56 16.803 20.496 18.973 1.00 0.00 C ATOM 888 O LEU A 56 16.560 20.143 20.121 1.00 0.00 O ATOM 889 CB LEU A 56 18.017 22.633 18.474 1.00 0.00 C ATOM 890 CG LEU A 56 19.283 23.419 18.154 1.00 0.00 C ATOM 891 CD1 LEU A 56 18.887 24.839 17.728 1.00 0.00 C ATOM 892 CD2 LEU A 56 20.477 23.499 19.103 1.00 0.00 C ATOM 0 H LEU A 56 18.410 21.385 16.484 1.00 0.00 H new ATOM 0 HA LEU A 56 18.880 20.785 19.283 1.00 0.00 H new ATOM 0 HB2 LEU A 56 17.269 22.875 17.719 1.00 0.00 H new ATOM 0 HB3 LEU A 56 17.631 22.987 19.430 1.00 0.00 H new ATOM 0 HG LEU A 56 19.710 22.776 17.384 1.00 0.00 H new ATOM 0 HD11 LEU A 56 19.784 25.413 17.496 1.00 0.00 H new ATOM 0 HD12 LEU A 56 18.249 24.790 16.845 1.00 0.00 H new ATOM 0 HD13 LEU A 56 18.346 25.325 18.540 1.00 0.00 H new ATOM 0 HD21 LEU A 56 21.257 24.115 18.656 1.00 0.00 H new ATOM 0 HD22 LEU A 56 20.162 23.942 20.048 1.00 0.00 H new ATOM 0 HD23 LEU A 56 20.866 22.497 19.284 1.00 0.00 H new ATOM 904 N SER A 57 15.942 20.248 17.983 1.00 0.00 N ATOM 905 CA SER A 57 14.704 19.500 18.128 1.00 0.00 C ATOM 906 C SER A 57 14.942 18.077 18.639 1.00 0.00 C ATOM 907 O SER A 57 14.279 17.572 19.547 1.00 0.00 O ATOM 908 CB SER A 57 13.881 19.559 16.855 1.00 0.00 C ATOM 909 OG SER A 57 12.609 18.936 16.851 1.00 0.00 O ATOM 0 H SER A 57 16.098 20.576 17.030 1.00 0.00 H new ATOM 0 HA SER A 57 14.109 19.982 18.903 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.738 20.609 16.599 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.472 19.113 16.055 1.00 0.00 H new ATOM 0 HG SER A 57 12.191 19.052 15.972 1.00 0.00 H new ATOM 915 N ASP A 58 16.036 17.455 18.210 1.00 0.00 N ATOM 916 CA ASP A 58 16.316 16.063 18.519 1.00 0.00 C ATOM 917 C ASP A 58 16.647 15.945 20.015 1.00 0.00 C ATOM 918 O ASP A 58 16.230 14.975 20.638 1.00 0.00 O ATOM 919 CB ASP A 58 17.479 15.442 17.759 1.00 0.00 C ATOM 920 CG ASP A 58 17.235 15.013 16.316 1.00 0.00 C ATOM 921 OD1 ASP A 58 16.325 14.166 16.144 1.00 0.00 O ATOM 922 OD2 ASP A 58 17.947 15.536 15.435 1.00 0.00 O ATOM 0 H ASP A 58 16.751 17.905 17.639 1.00 0.00 H new ATOM 0 HA ASP A 58 15.418 15.523 18.221 1.00 0.00 H new ATOM 0 HB2 ASP A 58 18.301 16.157 17.762 1.00 0.00 H new ATOM 0 HB3 ASP A 58 17.815 14.568 18.316 1.00 0.00 H new ATOM 927 N TYR A 59 17.428 16.892 20.516 1.00 0.00 N ATOM 928 CA TYR A 59 17.759 16.982 21.922 1.00 0.00 C ATOM 929 C TYR A 59 16.741 17.719 22.790 1.00 0.00 C ATOM 930 O TYR A 59 17.030 18.015 23.954 1.00 0.00 O ATOM 931 CB TYR A 59 19.138 17.613 22.096 1.00 0.00 C ATOM 932 CG TYR A 59 20.294 16.787 21.597 1.00 0.00 C ATOM 933 CD1 TYR A 59 20.892 15.770 22.357 1.00 0.00 C ATOM 934 CD2 TYR A 59 20.966 17.243 20.452 1.00 0.00 C ATOM 935 CE1 TYR A 59 21.961 15.031 21.847 1.00 0.00 C ATOM 936 CE2 TYR A 59 22.076 16.551 19.947 1.00 0.00 C ATOM 937 CZ TYR A 59 22.510 15.392 20.606 1.00 0.00 C ATOM 938 OH TYR A 59 23.606 14.676 20.235 1.00 0.00 O ATOM 0 H TYR A 59 17.852 17.625 19.947 1.00 0.00 H new ATOM 0 HA TYR A 59 17.749 15.952 22.279 1.00 0.00 H new ATOM 0 HB2 TYR A 59 19.148 18.572 21.578 1.00 0.00 H new ATOM 0 HB3 TYR A 59 19.293 17.821 23.155 1.00 0.00 H new ATOM 0 HD1 TYR A 59 20.521 15.556 23.348 1.00 0.00 H new ATOM 0 HD2 TYR A 59 20.624 18.138 19.954 1.00 0.00 H new ATOM 0 HE1 TYR A 59 22.360 14.193 22.399 1.00 0.00 H new ATOM 0 HE2 TYR A 59 22.588 16.905 19.065 1.00 0.00 H new ATOM 0 HH TYR A 59 23.817 14.017 20.929 1.00 0.00 H new ATOM 948 N ASN A 60 15.563 18.007 22.235 1.00 0.00 N ATOM 949 CA ASN A 60 14.374 18.547 22.852 1.00 0.00 C ATOM 950 C ASN A 60 14.647 19.899 23.496 1.00 0.00 C ATOM 951 O ASN A 60 14.043 20.215 24.522 1.00 0.00 O ATOM 952 CB ASN A 60 13.735 17.499 23.774 1.00 0.00 C ATOM 953 CG ASN A 60 13.218 16.221 23.138 1.00 0.00 C ATOM 954 OD1 ASN A 60 12.439 16.403 22.207 1.00 0.00 O ATOM 955 ND2 ASN A 60 13.629 15.025 23.549 1.00 0.00 N ATOM 0 H ASN A 60 15.414 17.847 21.239 1.00 0.00 H new ATOM 0 HA ASN A 60 13.625 18.762 22.090 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.471 17.224 24.530 1.00 0.00 H new ATOM 0 HB3 ASN A 60 12.904 17.974 24.296 1.00 0.00 H new ATOM 0 HD21 ASN A 60 13.294 14.182 23.082 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.279 14.950 24.331 1.00 0.00 H new ATOM 962 N ILE A 61 15.502 20.748 22.929 1.00 0.00 N ATOM 963 CA ILE A 61 15.928 22.000 23.524 1.00 0.00 C ATOM 964 C ILE A 61 14.867 22.987 23.021 1.00 0.00 C ATOM 965 O ILE A 61 14.477 22.936 21.860 1.00 0.00 O ATOM 966 CB ILE A 61 17.319 22.372 23.010 1.00 0.00 C ATOM 967 CG1 ILE A 61 18.415 21.400 23.468 1.00 0.00 C ATOM 968 CG2 ILE A 61 17.617 23.773 23.535 1.00 0.00 C ATOM 969 CD1 ILE A 61 19.543 21.614 22.468 1.00 0.00 C ATOM 0 H ILE A 61 15.926 20.573 22.018 1.00 0.00 H new ATOM 0 HA ILE A 61 16.005 21.976 24.611 1.00 0.00 H new ATOM 0 HB ILE A 61 17.319 22.326 21.921 1.00 0.00 H new ATOM 0 HG12 ILE A 61 18.739 21.616 24.486 1.00 0.00 H new ATOM 0 HG13 ILE A 61 18.063 20.368 23.457 1.00 0.00 H new ATOM 0 HG21 ILE A 61 18.604 24.087 23.194 1.00 0.00 H new ATOM 0 HG22 ILE A 61 16.866 24.469 23.161 1.00 0.00 H new ATOM 0 HG23 ILE A 61 17.595 23.766 24.625 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.378 20.958 22.715 1.00 0.00 H new ATOM 0 HD12 ILE A 61 19.187 21.386 21.463 1.00 0.00 H new ATOM 0 HD13 ILE A 61 19.873 22.652 22.509 1.00 0.00 H new ATOM 981 N GLN A 62 14.502 23.922 23.893 1.00 0.00 N ATOM 982 CA GLN A 62 13.315 24.742 23.836 1.00 0.00 C ATOM 983 C GLN A 62 13.553 26.212 24.191 1.00 0.00 C ATOM 984 O GLN A 62 14.704 26.549 24.458 1.00 0.00 O ATOM 985 CB GLN A 62 12.122 24.072 24.501 1.00 0.00 C ATOM 986 CG GLN A 62 11.778 24.315 25.972 1.00 0.00 C ATOM 987 CD GLN A 62 12.790 23.650 26.891 1.00 0.00 C ATOM 988 OE1 GLN A 62 13.973 23.547 26.586 1.00 0.00 O ATOM 989 NE2 GLN A 62 12.302 23.179 28.036 1.00 0.00 N ATOM 0 H GLN A 62 15.073 24.135 24.711 1.00 0.00 H new ATOM 0 HA GLN A 62 13.029 24.813 22.787 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.241 24.349 23.921 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.257 22.997 24.382 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.752 25.387 26.170 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.781 23.928 26.184 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.311 23.286 28.250 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.919 22.711 28.699 1.00 0.00 H new ATOM 998 N LYS A 63 12.523 27.025 24.448 1.00 0.00 N ATOM 999 CA LYS A 63 12.542 28.399 24.907 1.00 0.00 C ATOM 1000 C LYS A 63 13.228 28.496 26.262 1.00 0.00 C ATOM 1001 O LYS A 63 13.004 27.688 27.165 1.00 0.00 O ATOM 1002 CB LYS A 63 11.090 28.892 24.973 1.00 0.00 C ATOM 1003 CG LYS A 63 11.046 30.334 25.475 1.00 0.00 C ATOM 1004 CD LYS A 63 10.225 30.655 26.727 1.00 0.00 C ATOM 1005 CE LYS A 63 9.573 32.039 26.630 1.00 0.00 C ATOM 1006 NZ LYS A 63 10.554 33.128 26.695 1.00 0.00 N ATOM 0 H LYS A 63 11.566 26.695 24.324 1.00 0.00 H new ATOM 0 HA LYS A 63 13.109 29.027 24.220 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.631 28.828 23.986 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.510 28.250 25.636 1.00 0.00 H new ATOM 0 HG2 LYS A 63 12.072 30.649 25.664 1.00 0.00 H new ATOM 0 HG3 LYS A 63 10.666 30.954 24.663 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.454 29.897 26.862 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.869 30.615 27.606 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.017 32.110 25.695 1.00 0.00 H new ATOM 0 HE3 LYS A 63 8.852 32.155 27.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 10.062 34.029 26.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.222 32.947 27.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.074 33.181 25.796 1.00 0.00 H new ATOM 1020 N GLU A 64 14.142 29.465 26.319 1.00 0.00 N ATOM 1021 CA GLU A 64 14.910 29.877 27.468 1.00 0.00 C ATOM 1022 C GLU A 64 16.209 29.096 27.714 1.00 0.00 C ATOM 1023 O GLU A 64 16.855 29.025 28.756 1.00 0.00 O ATOM 1024 CB GLU A 64 14.049 30.184 28.694 1.00 0.00 C ATOM 1025 CG GLU A 64 14.270 31.548 29.351 1.00 0.00 C ATOM 1026 CD GLU A 64 13.627 32.718 28.633 1.00 0.00 C ATOM 1027 OE1 GLU A 64 12.467 32.596 28.183 1.00 0.00 O ATOM 1028 OE2 GLU A 64 14.247 33.763 28.337 1.00 0.00 O ATOM 0 H GLU A 64 14.374 30.017 25.493 1.00 0.00 H new ATOM 0 HA GLU A 64 15.319 30.850 27.197 1.00 0.00 H new ATOM 0 HB2 GLU A 64 13.001 30.109 28.404 1.00 0.00 H new ATOM 0 HB3 GLU A 64 14.229 29.411 29.441 1.00 0.00 H new ATOM 0 HG2 GLU A 64 13.884 31.510 30.370 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.342 31.730 29.423 1.00 0.00 H new ATOM 1035 N SER A 65 16.633 28.401 26.663 1.00 0.00 N ATOM 1036 CA SER A 65 17.818 27.561 26.673 1.00 0.00 C ATOM 1037 C SER A 65 19.090 28.361 26.419 1.00 0.00 C ATOM 1038 O SER A 65 19.301 29.026 25.395 1.00 0.00 O ATOM 1039 CB SER A 65 17.697 26.524 25.556 1.00 0.00 C ATOM 1040 OG SER A 65 17.359 26.997 24.265 1.00 0.00 O ATOM 0 H SER A 65 16.150 28.409 25.764 1.00 0.00 H new ATOM 0 HA SER A 65 17.884 27.098 27.658 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.647 25.994 25.483 1.00 0.00 H new ATOM 0 HB3 SER A 65 16.946 25.793 25.855 1.00 0.00 H new ATOM 0 HG SER A 65 16.392 26.915 24.130 1.00 0.00 H new ATOM 1046 N THR A 66 20.047 28.172 27.322 1.00 0.00 N ATOM 1047 CA THR A 66 21.422 28.610 27.390 1.00 0.00 C ATOM 1048 C THR A 66 22.338 27.403 27.122 1.00 0.00 C ATOM 1049 O THR A 66 22.344 26.395 27.817 1.00 0.00 O ATOM 1050 CB THR A 66 21.658 29.297 28.726 1.00 0.00 C ATOM 1051 OG1 THR A 66 20.625 30.215 29.023 1.00 0.00 O ATOM 1052 CG2 THR A 66 23.028 29.991 28.760 1.00 0.00 C ATOM 0 H THR A 66 19.829 27.618 28.150 1.00 0.00 H new ATOM 0 HA THR A 66 21.656 29.350 26.625 1.00 0.00 H new ATOM 0 HB THR A 66 21.651 28.524 29.495 1.00 0.00 H new ATOM 0 HG1 THR A 66 20.803 30.640 29.888 1.00 0.00 H new ATOM 0 HG21 THR A 66 23.168 30.473 29.728 1.00 0.00 H new ATOM 0 HG22 THR A 66 23.814 29.252 28.606 1.00 0.00 H new ATOM 0 HG23 THR A 66 23.076 30.741 27.971 1.00 0.00 H new ATOM 1060 N LEU A 67 23.048 27.506 25.999 1.00 0.00 N ATOM 1061 CA LEU A 67 24.061 26.574 25.554 1.00 0.00 C ATOM 1062 C LEU A 67 25.437 27.143 25.880 1.00 0.00 C ATOM 1063 O LEU A 67 25.652 28.314 25.566 1.00 0.00 O ATOM 1064 CB LEU A 67 23.991 26.451 24.032 1.00 0.00 C ATOM 1065 CG LEU A 67 22.953 25.479 23.461 1.00 0.00 C ATOM 1066 CD1 LEU A 67 21.547 26.071 23.534 1.00 0.00 C ATOM 1067 CD2 LEU A 67 23.342 24.974 22.068 1.00 0.00 C ATOM 0 H LEU A 67 22.920 28.282 25.350 1.00 0.00 H new ATOM 0 HA LEU A 67 23.900 25.612 26.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 23.791 27.440 23.621 1.00 0.00 H new ATOM 0 HB3 LEU A 67 24.974 26.148 23.671 1.00 0.00 H new ATOM 0 HG LEU A 67 22.939 24.589 24.090 1.00 0.00 H new ATOM 0 HD11 LEU A 67 20.831 25.360 23.122 1.00 0.00 H new ATOM 0 HD12 LEU A 67 21.294 26.280 24.573 1.00 0.00 H new ATOM 0 HD13 LEU A 67 21.511 26.996 22.959 1.00 0.00 H new ATOM 0 HD21 LEU A 67 22.577 24.288 21.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 23.427 25.819 21.385 1.00 0.00 H new ATOM 0 HD23 LEU A 67 24.299 24.455 22.123 1.00 0.00 H new ATOM 1079 N HIS A 68 26.287 26.339 26.509 1.00 0.00 N ATOM 1080 CA HIS A 68 27.568 26.658 27.104 1.00 0.00 C ATOM 1081 C HIS A 68 28.651 26.173 26.133 1.00 0.00 C ATOM 1082 O HIS A 68 28.561 24.999 25.744 1.00 0.00 O ATOM 1083 CB HIS A 68 27.669 25.942 28.441 1.00 0.00 C ATOM 1084 CG HIS A 68 28.826 26.407 29.292 1.00 0.00 C ATOM 1085 ND1 HIS A 68 28.888 27.741 29.667 1.00 0.00 N ATOM 1086 CD2 HIS A 68 29.970 25.778 29.696 1.00 0.00 C ATOM 1087 CE1 HIS A 68 30.041 27.813 30.327 1.00 0.00 C ATOM 1088 NE2 HIS A 68 30.737 26.666 30.417 1.00 0.00 N ATOM 0 H HIS A 68 26.068 25.349 26.623 1.00 0.00 H new ATOM 0 HA HIS A 68 27.687 27.727 27.279 1.00 0.00 H new ATOM 0 HB2 HIS A 68 26.741 26.089 28.993 1.00 0.00 H new ATOM 0 HB3 HIS A 68 27.767 24.871 28.263 1.00 0.00 H new ATOM 0 HD2 HIS A 68 30.230 24.751 29.484 1.00 0.00 H new ATOM 0 HE1 HIS A 68 30.396 28.735 30.763 1.00 0.00 H new ATOM 0 HE2 HIS A 68 31.618 26.495 30.901 1.00 0.00 H new ATOM 1096 N LEU A 69 29.630 26.963 25.714 1.00 0.00 N ATOM 1097 CA LEU A 69 30.743 26.553 24.874 1.00 0.00 C ATOM 1098 C LEU A 69 31.877 26.191 25.830 1.00 0.00 C ATOM 1099 O LEU A 69 32.032 26.891 26.826 1.00 0.00 O ATOM 1100 CB LEU A 69 31.120 27.621 23.853 1.00 0.00 C ATOM 1101 CG LEU A 69 32.328 27.380 22.944 1.00 0.00 C ATOM 1102 CD1 LEU A 69 32.017 26.443 21.788 1.00 0.00 C ATOM 1103 CD2 LEU A 69 32.850 28.749 22.493 1.00 0.00 C ATOM 0 H LEU A 69 29.670 27.951 25.963 1.00 0.00 H new ATOM 0 HA LEU A 69 30.484 25.693 24.257 1.00 0.00 H new ATOM 0 HB2 LEU A 69 30.253 27.786 23.213 1.00 0.00 H new ATOM 0 HB3 LEU A 69 31.296 28.549 24.396 1.00 0.00 H new ATOM 0 HG LEU A 69 33.111 26.860 23.496 1.00 0.00 H new ATOM 0 HD11 LEU A 69 32.910 26.309 21.178 1.00 0.00 H new ATOM 0 HD12 LEU A 69 31.696 25.477 22.179 1.00 0.00 H new ATOM 0 HD13 LEU A 69 31.221 26.870 21.178 1.00 0.00 H new ATOM 0 HD21 LEU A 69 33.713 28.613 21.842 1.00 0.00 H new ATOM 0 HD22 LEU A 69 32.066 29.277 21.950 1.00 0.00 H new ATOM 0 HD23 LEU A 69 33.142 29.333 23.366 1.00 0.00 H new ATOM 1115 N VAL A 70 32.733 25.267 25.409 1.00 0.00 N ATOM 1116 CA VAL A 70 34.047 24.925 25.899 1.00 0.00 C ATOM 1117 C VAL A 70 34.923 24.612 24.680 1.00 0.00 C ATOM 1118 O VAL A 70 34.349 23.937 23.831 1.00 0.00 O ATOM 1119 CB VAL A 70 34.033 23.882 27.022 1.00 0.00 C ATOM 1120 CG1 VAL A 70 33.693 22.474 26.514 1.00 0.00 C ATOM 1121 CG2 VAL A 70 35.290 23.813 27.885 1.00 0.00 C ATOM 0 H VAL A 70 32.483 24.672 24.619 1.00 0.00 H new ATOM 0 HA VAL A 70 34.500 25.768 26.422 1.00 0.00 H new ATOM 0 HB VAL A 70 33.237 24.249 27.670 1.00 0.00 H new ATOM 0 HG11 VAL A 70 33.697 21.775 27.350 1.00 0.00 H new ATOM 0 HG12 VAL A 70 32.706 22.482 26.052 1.00 0.00 H new ATOM 0 HG13 VAL A 70 34.435 22.164 25.778 1.00 0.00 H new ATOM 0 HG21 VAL A 70 35.167 23.042 28.645 1.00 0.00 H new ATOM 0 HG22 VAL A 70 36.149 23.572 27.258 1.00 0.00 H new ATOM 0 HG23 VAL A 70 35.453 24.776 28.368 1.00 0.00 H new ATOM 1131 N LEU A 71 36.201 24.988 24.636 1.00 0.00 N ATOM 1132 CA LEU A 71 37.087 24.628 23.549 1.00 0.00 C ATOM 1133 C LEU A 71 37.549 23.177 23.689 1.00 0.00 C ATOM 1134 O LEU A 71 37.612 22.643 24.787 1.00 0.00 O ATOM 1135 CB LEU A 71 38.256 25.611 23.483 1.00 0.00 C ATOM 1136 CG LEU A 71 38.043 27.116 23.328 1.00 0.00 C ATOM 1137 CD1 LEU A 71 39.262 27.914 23.771 1.00 0.00 C ATOM 1138 CD2 LEU A 71 37.596 27.470 21.900 1.00 0.00 C ATOM 0 H LEU A 71 36.645 25.553 25.360 1.00 0.00 H new ATOM 0 HA LEU A 71 36.549 24.696 22.604 1.00 0.00 H new ATOM 0 HB2 LEU A 71 38.838 25.468 24.394 1.00 0.00 H new ATOM 0 HB3 LEU A 71 38.885 25.296 22.650 1.00 0.00 H new ATOM 0 HG LEU A 71 37.233 27.404 23.998 1.00 0.00 H new ATOM 0 HD11 LEU A 71 39.066 28.979 23.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 39.471 27.707 24.821 1.00 0.00 H new ATOM 0 HD13 LEU A 71 40.123 27.629 23.167 1.00 0.00 H new ATOM 0 HD21 LEU A 71 37.452 28.548 21.820 1.00 0.00 H new ATOM 0 HD22 LEU A 71 38.360 27.152 21.190 1.00 0.00 H new ATOM 0 HD23 LEU A 71 36.658 26.961 21.676 1.00 0.00 H new ATOM 1150 N ARG A 72 37.931 22.491 22.617 1.00 0.00 N ATOM 1151 CA ARG A 72 38.601 21.207 22.611 1.00 0.00 C ATOM 1152 C ARG A 72 40.071 21.586 22.443 1.00 0.00 C ATOM 1153 O ARG A 72 40.404 22.247 21.456 1.00 0.00 O ATOM 1154 CB ARG A 72 38.123 20.350 21.438 1.00 0.00 C ATOM 1155 CG ARG A 72 37.987 18.848 21.655 1.00 0.00 C ATOM 1156 CD ARG A 72 37.764 18.309 20.241 1.00 0.00 C ATOM 1157 NE ARG A 72 37.643 16.868 20.018 1.00 0.00 N ATOM 1158 CZ ARG A 72 36.700 16.180 19.368 1.00 0.00 C ATOM 1159 NH1 ARG A 72 35.597 16.753 18.855 1.00 0.00 N ATOM 1160 NH2 ARG A 72 36.912 14.857 19.309 1.00 0.00 N ATOM 0 H ARG A 72 37.768 22.843 21.674 1.00 0.00 H new ATOM 0 HA ARG A 72 38.409 20.617 23.507 1.00 0.00 H new ATOM 0 HB2 ARG A 72 37.152 20.730 21.121 1.00 0.00 H new ATOM 0 HB3 ARG A 72 38.813 20.506 20.608 1.00 0.00 H new ATOM 0 HG2 ARG A 72 38.882 18.424 22.111 1.00 0.00 H new ATOM 0 HG3 ARG A 72 37.151 18.610 22.313 1.00 0.00 H new ATOM 0 HD2 ARG A 72 36.856 18.774 19.856 1.00 0.00 H new ATOM 0 HD3 ARG A 72 38.590 18.664 19.625 1.00 0.00 H new ATOM 0 HE ARG A 72 38.392 16.303 20.419 1.00 0.00 H new ATOM 0 HH11 ARG A 72 35.451 17.758 18.954 1.00 0.00 H new ATOM 0 HH12 ARG A 72 34.906 16.183 18.367 1.00 0.00 H new ATOM 0 HH21 ARG A 72 37.743 14.454 19.742 1.00 0.00 H new ATOM 0 HH22 ARG A 72 36.242 14.254 18.831 1.00 0.00 H new ATOM 1174 N LEU A 73 40.885 21.236 23.448 1.00 0.00 N ATOM 1175 CA LEU A 73 42.257 21.679 23.529 1.00 0.00 C ATOM 1176 C LEU A 73 43.253 20.578 23.919 1.00 0.00 C ATOM 1177 O LEU A 73 44.464 20.795 23.865 1.00 0.00 O ATOM 1178 CB LEU A 73 42.366 22.878 24.471 1.00 0.00 C ATOM 1179 CG LEU A 73 41.759 24.225 24.069 1.00 0.00 C ATOM 1180 CD1 LEU A 73 41.670 25.168 25.267 1.00 0.00 C ATOM 1181 CD2 LEU A 73 42.565 24.965 22.995 1.00 0.00 C ATOM 0 H LEU A 73 40.597 20.637 24.222 1.00 0.00 H new ATOM 0 HA LEU A 73 42.542 21.976 22.520 1.00 0.00 H new ATOM 0 HB2 LEU A 73 41.912 22.588 25.419 1.00 0.00 H new ATOM 0 HB3 LEU A 73 43.426 23.044 24.663 1.00 0.00 H new ATOM 0 HG LEU A 73 40.775 23.974 23.674 1.00 0.00 H new ATOM 0 HD11 LEU A 73 41.235 26.117 24.952 1.00 0.00 H new ATOM 0 HD12 LEU A 73 41.043 24.719 26.037 1.00 0.00 H new ATOM 0 HD13 LEU A 73 42.668 25.342 25.668 1.00 0.00 H new ATOM 0 HD21 LEU A 73 42.076 25.910 22.760 1.00 0.00 H new ATOM 0 HD22 LEU A 73 43.572 25.159 23.365 1.00 0.00 H new ATOM 0 HD23 LEU A 73 42.621 24.352 22.095 1.00 0.00 H new ATOM 1193 N ARG A 74 42.787 19.377 24.245 1.00 0.00 N ATOM 1194 CA ARG A 74 43.491 18.127 24.421 1.00 0.00 C ATOM 1195 C ARG A 74 42.714 16.822 24.181 1.00 0.00 C ATOM 1196 O ARG A 74 41.637 16.710 24.753 1.00 0.00 O ATOM 1197 CB ARG A 74 44.093 18.270 25.817 1.00 0.00 C ATOM 1198 CG ARG A 74 44.995 17.090 26.173 1.00 0.00 C ATOM 1199 CD ARG A 74 45.727 17.187 27.507 1.00 0.00 C ATOM 1200 NE ARG A 74 46.645 16.044 27.637 1.00 0.00 N ATOM 1201 CZ ARG A 74 47.898 15.935 28.099 1.00 0.00 C ATOM 1202 NH1 ARG A 74 48.603 17.033 28.414 1.00 0.00 N ATOM 1203 NH2 ARG A 74 48.473 14.730 28.093 1.00 0.00 N ATOM 0 H ARG A 74 41.788 19.250 24.410 1.00 0.00 H new ATOM 0 HA ARG A 74 44.232 17.991 23.633 1.00 0.00 H new ATOM 0 HB2 ARG A 74 44.667 19.195 25.872 1.00 0.00 H new ATOM 0 HB3 ARG A 74 43.291 18.349 26.551 1.00 0.00 H new ATOM 0 HG2 ARG A 74 44.389 16.184 26.179 1.00 0.00 H new ATOM 0 HG3 ARG A 74 45.736 16.973 25.382 1.00 0.00 H new ATOM 0 HD2 ARG A 74 46.282 18.123 27.564 1.00 0.00 H new ATOM 0 HD3 ARG A 74 45.011 17.190 28.329 1.00 0.00 H new ATOM 0 HE ARG A 74 46.250 15.162 27.312 1.00 0.00 H new ATOM 0 HH11 ARG A 74 48.185 17.957 28.302 1.00 0.00 H new ATOM 0 HH12 ARG A 74 49.556 16.944 28.765 1.00 0.00 H new ATOM 0 HH21 ARG A 74 47.959 13.922 27.743 1.00 0.00 H new ATOM 0 HH22 ARG A 74 49.426 14.618 28.439 1.00 0.00 H new ATOM 1217 N GLY A 75 43.317 15.856 23.494 1.00 0.00 N ATOM 1218 CA GLY A 75 42.611 14.596 23.367 1.00 0.00 C ATOM 1219 C GLY A 75 42.458 14.341 21.869 1.00 0.00 C ATOM 1220 O GLY A 75 43.122 14.887 20.983 1.00 0.00 O ATOM 0 H GLY A 75 44.231 15.914 23.046 1.00 0.00 H new ATOM 0 HA2 GLY A 75 43.167 13.789 23.844 1.00 0.00 H new ATOM 0 HA3 GLY A 75 41.637 14.645 23.855 1.00 0.00 H new ATOM 1224 N GLY A 76 41.639 13.367 21.474 1.00 0.00 N ATOM 1225 CA GLY A 76 41.253 13.236 20.090 1.00 0.00 C ATOM 1226 C GLY A 76 39.815 13.720 20.076 1.00 0.00 C ATOM 1227 O GLY A 76 39.510 14.805 20.629 1.00 0.00 O ATOM 1228 OXT GLY A 76 38.908 13.038 19.558 1.00 0.00 O ATOM 0 H GLY A 76 41.238 12.666 22.097 1.00 0.00 H new ATOM 0 HA2 GLY A 76 41.886 13.838 19.438 1.00 0.00 H new ATOM 0 HA3 GLY A 76 41.333 12.204 19.747 1.00 0.00 H new TER 1232 GLY A 76