USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 572 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 -173:sc= 0.967 USER MOD Set 1.2: A 9 THR OG1 : rot -24:sc= 0.363 USER MOD Single : A 1 MET CE :methyl -125:sc= 0 (180deg=-0.104) USER MOD Single : A 1 MET N :NH3+ -132:sc= -0.469 (180deg=-2.28!) USER MOD Single : A 2 GLN : amide:sc= -0.0303 K(o=-0.03,f=-1.5!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 21:sc= 0.239 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -160:sc= -0.958 USER MOD Single : A 25 ASN : amide:sc= -4.98! K(o=-5!,f=-1.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0302 (180deg=-0.458) USER MOD Single : A 31 GLN : amide:sc= -6.31! C(o=-6.3!,f=-8.5!) USER MOD Single : A 33 LYS NZ :NH3+ -133:sc= -0.241 (180deg=-1.36!) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 41 GLN : amide:sc= -5.14 K(o=-5.1,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -112:sc= 0.171 USER MOD Single : A 57 SER OG : rot 180:sc= -0.346 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.094 X(o=-0.094,f=-0.48) USER MOD Single : A 68 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 28.304 28.528 2.602 1.00 0.00 N ATOM 2 CA MET A 1 27.230 29.557 2.698 1.00 0.00 C ATOM 3 C MET A 1 27.547 30.519 3.845 1.00 0.00 C ATOM 4 O MET A 1 28.509 30.344 4.567 1.00 0.00 O ATOM 5 CB MET A 1 25.890 28.872 2.964 1.00 0.00 C ATOM 6 CG MET A 1 25.520 27.989 1.770 1.00 0.00 C ATOM 7 SD MET A 1 24.032 27.031 2.157 1.00 0.00 S ATOM 8 CE MET A 1 22.818 28.340 1.859 1.00 0.00 C ATOM 0 H1 MET A 1 28.612 28.439 1.613 1.00 0.00 H new ATOM 0 H2 MET A 1 29.112 28.813 3.191 1.00 0.00 H new ATOM 0 H3 MET A 1 27.939 27.613 2.935 1.00 0.00 H new ATOM 0 HA MET A 1 27.175 30.113 1.762 1.00 0.00 H new ATOM 0 HB2 MET A 1 25.952 28.269 3.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.114 29.620 3.131 1.00 0.00 H new ATOM 0 HG2 MET A 1 25.348 28.606 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 1 26.345 27.317 1.533 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.196 28.468 2.745 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.336 29.274 1.641 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.190 28.067 1.011 1.00 0.00 H new ATOM 20 N GLN A 2 26.746 31.534 4.020 1.00 0.00 N ATOM 21 CA GLN A 2 27.002 32.505 5.122 1.00 0.00 C ATOM 22 C GLN A 2 26.529 31.906 6.447 1.00 0.00 C ATOM 23 O GLN A 2 25.406 32.111 6.864 1.00 0.00 O ATOM 24 CB GLN A 2 26.237 33.801 4.846 1.00 0.00 C ATOM 25 CG GLN A 2 26.885 34.538 3.672 1.00 0.00 C ATOM 26 CD GLN A 2 25.996 35.710 3.251 1.00 0.00 C ATOM 27 OE1 GLN A 2 24.795 35.670 3.426 1.00 0.00 O ATOM 28 NE2 GLN A 2 26.540 36.758 2.698 1.00 0.00 N ATOM 0 H GLN A 2 25.925 31.733 3.448 1.00 0.00 H new ATOM 0 HA GLN A 2 28.069 32.718 5.180 1.00 0.00 H new ATOM 0 HB2 GLN A 2 25.194 33.579 4.618 1.00 0.00 H new ATOM 0 HB3 GLN A 2 26.241 34.434 5.733 1.00 0.00 H new ATOM 0 HG2 GLN A 2 27.872 34.901 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 2 27.026 33.856 2.834 1.00 0.00 H new ATOM 0 HE21 GLN A 2 27.549 36.791 2.551 1.00 0.00 H new ATOM 0 HE22 GLN A 2 25.957 37.545 2.412 1.00 0.00 H new ATOM 37 N ILE A 3 27.373 31.168 7.112 1.00 0.00 N ATOM 38 CA ILE A 3 26.967 30.557 8.409 1.00 0.00 C ATOM 39 C ILE A 3 26.688 31.663 9.429 1.00 0.00 C ATOM 40 O ILE A 3 27.439 32.611 9.554 1.00 0.00 O ATOM 41 CB ILE A 3 28.091 29.654 8.921 1.00 0.00 C ATOM 42 CG1 ILE A 3 28.245 28.456 7.980 1.00 0.00 C ATOM 43 CG2 ILE A 3 27.752 29.157 10.328 1.00 0.00 C ATOM 44 CD1 ILE A 3 29.525 27.695 8.327 1.00 0.00 C ATOM 0 H ILE A 3 28.326 30.961 6.814 1.00 0.00 H new ATOM 0 HA ILE A 3 26.064 29.963 8.266 1.00 0.00 H new ATOM 0 HB ILE A 3 29.023 30.217 8.953 1.00 0.00 H new ATOM 0 HG12 ILE A 3 27.382 27.797 8.070 1.00 0.00 H new ATOM 0 HG13 ILE A 3 28.281 28.796 6.945 1.00 0.00 H new ATOM 0 HG21 ILE A 3 28.554 28.514 10.690 1.00 0.00 H new ATOM 0 HG22 ILE A 3 27.640 30.010 10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 3 26.820 28.593 10.300 1.00 0.00 H new ATOM 0 HD11 ILE A 3 29.634 26.842 7.657 1.00 0.00 H new ATOM 0 HD12 ILE A 3 30.384 28.357 8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 3 29.471 27.342 9.357 1.00 0.00 H new ATOM 56 N PHE A 4 25.608 31.550 10.152 1.00 0.00 N ATOM 57 CA PHE A 4 25.271 32.596 11.161 1.00 0.00 C ATOM 58 C PHE A 4 26.115 32.393 12.422 1.00 0.00 C ATOM 59 O PHE A 4 26.275 31.290 12.905 1.00 0.00 O ATOM 60 CB PHE A 4 23.788 32.494 11.521 1.00 0.00 C ATOM 61 CG PHE A 4 22.952 32.961 10.353 1.00 0.00 C ATOM 62 CD1 PHE A 4 22.516 32.041 9.393 1.00 0.00 C ATOM 63 CD2 PHE A 4 22.614 34.314 10.231 1.00 0.00 C ATOM 64 CE1 PHE A 4 21.741 32.475 8.309 1.00 0.00 C ATOM 65 CE2 PHE A 4 21.840 34.748 9.148 1.00 0.00 C ATOM 66 CZ PHE A 4 21.403 33.828 8.188 1.00 0.00 C ATOM 0 H PHE A 4 24.944 30.779 10.088 1.00 0.00 H new ATOM 0 HA PHE A 4 25.481 33.580 10.743 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.535 31.465 11.775 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.574 33.101 12.401 1.00 0.00 H new ATOM 0 HD1 PHE A 4 22.777 30.997 9.487 1.00 0.00 H new ATOM 0 HD2 PHE A 4 22.950 35.023 10.973 1.00 0.00 H new ATOM 0 HE1 PHE A 4 21.405 31.766 7.567 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.580 35.792 9.053 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.805 34.162 7.353 1.00 0.00 H new ATOM 76 N VAL A 5 26.647 33.458 12.960 1.00 0.00 N ATOM 77 CA VAL A 5 27.478 33.351 14.199 1.00 0.00 C ATOM 78 C VAL A 5 27.184 34.549 15.103 1.00 0.00 C ATOM 79 O VAL A 5 27.659 35.642 14.869 1.00 0.00 O ATOM 80 CB VAL A 5 28.960 33.352 13.820 1.00 0.00 C ATOM 81 CG1 VAL A 5 29.811 33.240 15.086 1.00 0.00 C ATOM 82 CG2 VAL A 5 29.251 32.161 12.905 1.00 0.00 C ATOM 0 H VAL A 5 26.542 34.404 12.594 1.00 0.00 H new ATOM 0 HA VAL A 5 27.239 32.426 14.723 1.00 0.00 H new ATOM 0 HB VAL A 5 29.202 34.279 13.301 1.00 0.00 H new ATOM 0 HG11 VAL A 5 30.867 33.241 14.816 1.00 0.00 H new ATOM 0 HG12 VAL A 5 29.603 34.087 15.740 1.00 0.00 H new ATOM 0 HG13 VAL A 5 29.570 32.313 15.606 1.00 0.00 H new ATOM 0 HG21 VAL A 5 30.307 32.160 12.634 1.00 0.00 H new ATOM 0 HG22 VAL A 5 29.009 31.234 13.426 1.00 0.00 H new ATOM 0 HG23 VAL A 5 28.645 32.239 12.003 1.00 0.00 H new ATOM 92 N LYS A 6 26.398 34.350 16.133 1.00 0.00 N ATOM 93 CA LYS A 6 26.053 35.473 17.066 1.00 0.00 C ATOM 94 C LYS A 6 26.587 35.161 18.464 1.00 0.00 C ATOM 95 O LYS A 6 26.723 34.017 18.847 1.00 0.00 O ATOM 96 CB LYS A 6 24.531 35.621 17.130 1.00 0.00 C ATOM 97 CG LYS A 6 23.892 34.245 17.343 1.00 0.00 C ATOM 98 CD LYS A 6 22.434 34.412 17.783 1.00 0.00 C ATOM 99 CE LYS A 6 21.616 35.020 16.642 1.00 0.00 C ATOM 100 NZ LYS A 6 20.163 34.879 16.943 1.00 0.00 N ATOM 0 H LYS A 6 25.977 33.452 16.371 1.00 0.00 H new ATOM 0 HA LYS A 6 26.502 36.398 16.705 1.00 0.00 H new ATOM 0 HB2 LYS A 6 24.254 36.292 17.943 1.00 0.00 H new ATOM 0 HB3 LYS A 6 24.159 36.067 16.208 1.00 0.00 H new ATOM 0 HG2 LYS A 6 23.939 33.665 16.421 1.00 0.00 H new ATOM 0 HG3 LYS A 6 24.448 33.689 18.098 1.00 0.00 H new ATOM 0 HD2 LYS A 6 22.017 33.446 18.067 1.00 0.00 H new ATOM 0 HD3 LYS A 6 22.381 35.053 18.663 1.00 0.00 H new ATOM 0 HE2 LYS A 6 21.872 36.072 16.517 1.00 0.00 H new ATOM 0 HE3 LYS A 6 21.854 34.520 15.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 19.606 35.292 16.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 19.925 33.871 17.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 19.943 35.375 17.830 1.00 0.00 H new ATOM 114 N THR A 7 26.886 36.181 19.232 1.00 0.00 N ATOM 115 CA THR A 7 27.412 35.972 20.619 1.00 0.00 C ATOM 116 C THR A 7 26.325 36.345 21.628 1.00 0.00 C ATOM 117 O THR A 7 25.206 36.651 21.266 1.00 0.00 O ATOM 118 CB THR A 7 28.634 36.868 20.837 1.00 0.00 C ATOM 119 OG1 THR A 7 28.237 38.230 20.774 1.00 0.00 O ATOM 120 CG2 THR A 7 29.675 36.586 19.753 1.00 0.00 C ATOM 0 H THR A 7 26.787 37.158 18.955 1.00 0.00 H new ATOM 0 HA THR A 7 27.696 34.928 20.752 1.00 0.00 H new ATOM 0 HB THR A 7 29.068 36.661 21.815 1.00 0.00 H new ATOM 0 HG1 THR A 7 29.031 38.804 20.803 1.00 0.00 H new ATOM 0 HG21 THR A 7 30.545 37.224 19.909 1.00 0.00 H new ATOM 0 HG22 THR A 7 29.979 35.540 19.803 1.00 0.00 H new ATOM 0 HG23 THR A 7 29.245 36.792 18.773 1.00 0.00 H new ATOM 128 N LEU A 8 26.642 36.327 22.893 1.00 0.00 N ATOM 129 CA LEU A 8 25.623 36.682 23.921 1.00 0.00 C ATOM 130 C LEU A 8 25.421 38.199 23.929 1.00 0.00 C ATOM 131 O LEU A 8 24.457 38.705 24.470 1.00 0.00 O ATOM 132 CB LEU A 8 26.106 36.226 25.300 1.00 0.00 C ATOM 133 CG LEU A 8 26.528 34.755 25.244 1.00 0.00 C ATOM 134 CD1 LEU A 8 27.079 34.333 26.609 1.00 0.00 C ATOM 135 CD2 LEU A 8 25.319 33.878 24.886 1.00 0.00 C ATOM 0 H LEU A 8 27.562 36.082 23.259 1.00 0.00 H new ATOM 0 HA LEU A 8 24.681 36.187 23.686 1.00 0.00 H new ATOM 0 HB2 LEU A 8 26.945 36.842 25.623 1.00 0.00 H new ATOM 0 HB3 LEU A 8 25.312 36.358 26.035 1.00 0.00 H new ATOM 0 HG LEU A 8 27.298 34.630 24.483 1.00 0.00 H new ATOM 0 HD11 LEU A 8 27.380 33.286 26.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.942 34.950 26.860 1.00 0.00 H new ATOM 0 HD13 LEU A 8 26.308 34.462 27.368 1.00 0.00 H new ATOM 0 HD21 LEU A 8 25.626 32.833 24.848 1.00 0.00 H new ATOM 0 HD22 LEU A 8 24.544 34.001 25.642 1.00 0.00 H new ATOM 0 HD23 LEU A 8 24.928 34.177 23.913 1.00 0.00 H new ATOM 147 N THR A 9 26.324 38.930 23.332 1.00 0.00 N ATOM 148 CA THR A 9 26.188 40.416 23.304 1.00 0.00 C ATOM 149 C THR A 9 25.296 40.825 22.128 1.00 0.00 C ATOM 150 O THR A 9 24.995 41.987 21.940 1.00 0.00 O ATOM 151 CB THR A 9 27.571 41.050 23.138 1.00 0.00 C ATOM 152 OG1 THR A 9 28.153 40.599 21.922 1.00 0.00 O ATOM 153 CG2 THR A 9 28.464 40.647 24.312 1.00 0.00 C ATOM 0 H THR A 9 27.151 38.562 22.862 1.00 0.00 H new ATOM 0 HA THR A 9 25.739 40.758 24.237 1.00 0.00 H new ATOM 0 HB THR A 9 27.473 42.135 23.115 1.00 0.00 H new ATOM 0 HG1 THR A 9 27.757 39.739 21.669 1.00 0.00 H new ATOM 0 HG21 THR A 9 29.448 41.099 24.192 1.00 0.00 H new ATOM 0 HG22 THR A 9 28.017 40.992 25.244 1.00 0.00 H new ATOM 0 HG23 THR A 9 28.564 39.562 24.337 1.00 0.00 H new ATOM 161 N GLY A 10 24.873 39.878 21.333 1.00 0.00 N ATOM 162 CA GLY A 10 24.001 40.207 20.166 1.00 0.00 C ATOM 163 C GLY A 10 24.873 40.482 18.940 1.00 0.00 C ATOM 164 O GLY A 10 24.402 40.485 17.819 1.00 0.00 O ATOM 0 H GLY A 10 25.094 38.888 21.441 1.00 0.00 H new ATOM 0 HA2 GLY A 10 23.320 39.381 19.963 1.00 0.00 H new ATOM 0 HA3 GLY A 10 23.387 41.079 20.392 1.00 0.00 H new ATOM 168 N LYS A 11 26.142 40.710 19.143 1.00 0.00 N ATOM 169 CA LYS A 11 27.042 40.982 17.988 1.00 0.00 C ATOM 170 C LYS A 11 26.852 39.892 16.932 1.00 0.00 C ATOM 171 O LYS A 11 27.174 38.741 17.150 1.00 0.00 O ATOM 172 CB LYS A 11 28.497 40.985 18.461 1.00 0.00 C ATOM 173 CG LYS A 11 28.750 42.216 19.334 1.00 0.00 C ATOM 174 CD LYS A 11 30.201 42.210 19.815 1.00 0.00 C ATOM 175 CE LYS A 11 30.456 43.442 20.686 1.00 0.00 C ATOM 176 NZ LYS A 11 31.868 43.430 21.162 1.00 0.00 N ATOM 0 H LYS A 11 26.593 40.720 20.058 1.00 0.00 H new ATOM 0 HA LYS A 11 26.800 41.954 17.559 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.708 40.077 19.025 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.169 40.991 17.603 1.00 0.00 H new ATOM 0 HG2 LYS A 11 28.547 43.125 18.767 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.073 42.215 20.188 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.403 41.302 20.383 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.878 42.209 18.961 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.261 44.350 20.116 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.774 43.447 21.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 32.042 44.267 21.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 32.039 42.569 21.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 32.510 43.445 20.344 1.00 0.00 H new ATOM 190 N THR A 12 26.325 40.242 15.787 1.00 0.00 N ATOM 191 CA THR A 12 26.109 39.224 14.716 1.00 0.00 C ATOM 192 C THR A 12 27.319 39.194 13.782 1.00 0.00 C ATOM 193 O THR A 12 27.897 40.212 13.459 1.00 0.00 O ATOM 194 CB THR A 12 24.859 39.582 13.908 1.00 0.00 C ATOM 195 OG1 THR A 12 23.731 39.607 14.772 1.00 0.00 O ATOM 196 CG2 THR A 12 24.642 38.539 12.810 1.00 0.00 C ATOM 0 H THR A 12 26.035 41.190 15.547 1.00 0.00 H new ATOM 0 HA THR A 12 25.978 38.245 15.177 1.00 0.00 H new ATOM 0 HB THR A 12 24.989 40.563 13.451 1.00 0.00 H new ATOM 0 HG1 THR A 12 22.930 39.838 14.257 1.00 0.00 H new ATOM 0 HG21 THR A 12 23.752 38.795 12.236 1.00 0.00 H new ATOM 0 HG22 THR A 12 25.508 38.522 12.148 1.00 0.00 H new ATOM 0 HG23 THR A 12 24.511 37.556 13.263 1.00 0.00 H new ATOM 204 N ILE A 13 27.696 38.025 13.337 1.00 0.00 N ATOM 205 CA ILE A 13 28.858 37.898 12.408 1.00 0.00 C ATOM 206 C ILE A 13 28.537 36.803 11.392 1.00 0.00 C ATOM 207 O ILE A 13 27.968 35.785 11.736 1.00 0.00 O ATOM 208 CB ILE A 13 30.113 37.508 13.197 1.00 0.00 C ATOM 209 CG1 ILE A 13 30.300 38.474 14.370 1.00 0.00 C ATOM 210 CG2 ILE A 13 31.336 37.582 12.280 1.00 0.00 C ATOM 211 CD1 ILE A 13 31.579 38.113 15.128 1.00 0.00 C ATOM 0 H ILE A 13 27.244 37.143 13.580 1.00 0.00 H new ATOM 0 HA ILE A 13 29.040 38.847 11.903 1.00 0.00 H new ATOM 0 HB ILE A 13 30.001 36.492 13.575 1.00 0.00 H new ATOM 0 HG12 ILE A 13 30.358 39.499 14.005 1.00 0.00 H new ATOM 0 HG13 ILE A 13 29.441 38.422 15.039 1.00 0.00 H new ATOM 0 HG21 ILE A 13 32.229 37.305 12.841 1.00 0.00 H new ATOM 0 HG22 ILE A 13 31.205 36.896 11.443 1.00 0.00 H new ATOM 0 HG23 ILE A 13 31.446 38.598 11.902 1.00 0.00 H new ATOM 0 HD11 ILE A 13 31.713 38.800 15.963 1.00 0.00 H new ATOM 0 HD12 ILE A 13 31.503 37.093 15.506 1.00 0.00 H new ATOM 0 HD13 ILE A 13 32.434 38.188 14.456 1.00 0.00 H new ATOM 223 N THR A 14 28.888 36.997 10.143 1.00 0.00 N ATOM 224 CA THR A 14 28.598 35.964 9.098 1.00 0.00 C ATOM 225 C THR A 14 29.890 35.603 8.366 1.00 0.00 C ATOM 226 O THR A 14 30.667 36.462 8.000 1.00 0.00 O ATOM 227 CB THR A 14 27.592 36.531 8.094 1.00 0.00 C ATOM 228 OG1 THR A 14 28.134 37.701 7.493 1.00 0.00 O ATOM 229 CG2 THR A 14 26.291 36.885 8.817 1.00 0.00 C ATOM 0 H THR A 14 29.365 37.831 9.801 1.00 0.00 H new ATOM 0 HA THR A 14 28.185 35.073 9.571 1.00 0.00 H new ATOM 0 HB THR A 14 27.387 35.787 7.325 1.00 0.00 H new ATOM 0 HG1 THR A 14 29.110 37.693 7.584 1.00 0.00 H new ATOM 0 HG21 THR A 14 25.575 37.289 8.101 1.00 0.00 H new ATOM 0 HG22 THR A 14 25.876 35.989 9.279 1.00 0.00 H new ATOM 0 HG23 THR A 14 26.494 37.630 9.587 1.00 0.00 H new ATOM 237 N LEU A 15 30.117 34.331 8.148 1.00 0.00 N ATOM 238 CA LEU A 15 31.354 33.880 7.432 1.00 0.00 C ATOM 239 C LEU A 15 30.941 33.151 6.152 1.00 0.00 C ATOM 240 O LEU A 15 30.306 32.116 6.195 1.00 0.00 O ATOM 241 CB LEU A 15 32.139 32.920 8.333 1.00 0.00 C ATOM 242 CG LEU A 15 32.301 33.534 9.729 1.00 0.00 C ATOM 243 CD1 LEU A 15 33.038 32.545 10.639 1.00 0.00 C ATOM 244 CD2 LEU A 15 33.104 34.838 9.632 1.00 0.00 C ATOM 0 H LEU A 15 29.493 33.578 8.438 1.00 0.00 H new ATOM 0 HA LEU A 15 31.979 34.739 7.187 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.618 31.965 8.404 1.00 0.00 H new ATOM 0 HB3 LEU A 15 33.118 32.718 7.899 1.00 0.00 H new ATOM 0 HG LEU A 15 31.317 33.749 10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 15 33.154 32.981 11.631 1.00 0.00 H new ATOM 0 HD12 LEU A 15 32.464 31.621 10.713 1.00 0.00 H new ATOM 0 HD13 LEU A 15 34.021 32.329 10.221 1.00 0.00 H new ATOM 0 HD21 LEU A 15 33.217 35.271 10.626 1.00 0.00 H new ATOM 0 HD22 LEU A 15 34.089 34.629 9.214 1.00 0.00 H new ATOM 0 HD23 LEU A 15 32.578 35.542 8.987 1.00 0.00 H new ATOM 256 N GLU A 16 31.288 33.685 5.010 1.00 0.00 N ATOM 257 CA GLU A 16 30.903 33.021 3.728 1.00 0.00 C ATOM 258 C GLU A 16 32.006 32.056 3.290 1.00 0.00 C ATOM 259 O GLU A 16 33.091 32.460 2.923 1.00 0.00 O ATOM 260 CB GLU A 16 30.707 34.087 2.646 1.00 0.00 C ATOM 261 CG GLU A 16 30.215 33.426 1.356 1.00 0.00 C ATOM 262 CD GLU A 16 29.957 34.500 0.299 1.00 0.00 C ATOM 263 OE1 GLU A 16 30.160 35.664 0.602 1.00 0.00 O ATOM 264 OE2 GLU A 16 29.560 34.140 -0.797 1.00 0.00 O ATOM 0 H GLU A 16 31.820 34.550 4.909 1.00 0.00 H new ATOM 0 HA GLU A 16 29.976 32.466 3.875 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.986 34.832 2.982 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.645 34.611 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.957 32.715 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 16 29.302 32.863 1.549 1.00 0.00 H new ATOM 271 N VAL A 17 31.731 30.783 3.324 1.00 0.00 N ATOM 272 CA VAL A 17 32.752 29.783 2.907 1.00 0.00 C ATOM 273 C VAL A 17 32.055 28.460 2.583 1.00 0.00 C ATOM 274 O VAL A 17 31.014 28.150 3.125 1.00 0.00 O ATOM 275 CB VAL A 17 33.758 29.578 4.043 1.00 0.00 C ATOM 276 CG1 VAL A 17 33.006 29.316 5.348 1.00 0.00 C ATOM 277 CG2 VAL A 17 34.664 28.385 3.726 1.00 0.00 C ATOM 0 H VAL A 17 30.839 30.390 3.624 1.00 0.00 H new ATOM 0 HA VAL A 17 33.280 30.140 2.023 1.00 0.00 H new ATOM 0 HB VAL A 17 34.370 30.474 4.148 1.00 0.00 H new ATOM 0 HG11 VAL A 17 33.721 29.170 6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 17 32.368 30.169 5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 17 32.392 28.422 5.241 1.00 0.00 H new ATOM 0 HG21 VAL A 17 35.378 28.244 4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 17 34.057 27.486 3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.203 28.574 2.798 1.00 0.00 H new ATOM 287 N GLU A 18 32.616 27.685 1.696 1.00 0.00 N ATOM 288 CA GLU A 18 31.982 26.386 1.329 1.00 0.00 C ATOM 289 C GLU A 18 31.550 25.643 2.611 1.00 0.00 C ATOM 290 O GLU A 18 32.356 25.444 3.499 1.00 0.00 O ATOM 291 CB GLU A 18 32.999 25.528 0.573 1.00 0.00 C ATOM 292 CG GLU A 18 33.390 26.229 -0.730 1.00 0.00 C ATOM 293 CD GLU A 18 32.189 26.249 -1.679 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.429 27.201 -1.621 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.052 25.312 -2.448 1.00 0.00 O ATOM 0 H GLU A 18 33.487 27.895 1.209 1.00 0.00 H new ATOM 0 HA GLU A 18 31.110 26.570 0.702 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.883 25.365 1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.575 24.547 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 18 33.720 27.247 -0.523 1.00 0.00 H new ATOM 0 HG3 GLU A 18 34.228 25.711 -1.197 1.00 0.00 H new ATOM 302 N PRO A 19 30.301 25.232 2.725 1.00 0.00 N ATOM 303 CA PRO A 19 29.816 24.508 3.937 1.00 0.00 C ATOM 304 C PRO A 19 30.838 23.493 4.464 1.00 0.00 C ATOM 305 O PRO A 19 30.777 23.071 5.601 1.00 0.00 O ATOM 306 CB PRO A 19 28.555 23.798 3.438 1.00 0.00 C ATOM 307 CG PRO A 19 28.006 24.701 2.381 1.00 0.00 C ATOM 308 CD PRO A 19 29.213 25.402 1.737 1.00 0.00 C ATOM 0 HA PRO A 19 29.639 25.183 4.774 1.00 0.00 H new ATOM 0 HB2 PRO A 19 28.788 22.812 3.035 1.00 0.00 H new ATOM 0 HB3 PRO A 19 27.837 23.651 4.245 1.00 0.00 H new ATOM 0 HG2 PRO A 19 27.445 24.133 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 19 27.318 25.429 2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 19 29.471 24.951 0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.008 26.456 1.548 1.00 0.00 H new ATOM 316 N SER A 20 31.775 23.096 3.647 1.00 0.00 N ATOM 317 CA SER A 20 32.790 22.107 4.107 1.00 0.00 C ATOM 318 C SER A 20 33.831 22.807 4.985 1.00 0.00 C ATOM 319 O SER A 20 34.840 22.236 5.346 1.00 0.00 O ATOM 320 CB SER A 20 33.479 21.479 2.896 1.00 0.00 C ATOM 321 OG SER A 20 34.060 22.504 2.103 1.00 0.00 O ATOM 0 H SER A 20 31.881 23.413 2.683 1.00 0.00 H new ATOM 0 HA SER A 20 32.296 21.327 4.687 1.00 0.00 H new ATOM 0 HB2 SER A 20 34.246 20.777 3.223 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.759 20.912 2.307 1.00 0.00 H new ATOM 0 HG SER A 20 34.504 22.104 1.326 1.00 0.00 H new ATOM 327 N ASP A 21 33.591 24.044 5.331 1.00 0.00 N ATOM 328 CA ASP A 21 34.568 24.780 6.188 1.00 0.00 C ATOM 329 C ASP A 21 34.961 23.895 7.374 1.00 0.00 C ATOM 330 O ASP A 21 34.272 22.954 7.709 1.00 0.00 O ATOM 331 CB ASP A 21 33.933 26.078 6.705 1.00 0.00 C ATOM 332 CG ASP A 21 35.028 27.048 7.154 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.045 27.116 6.484 1.00 0.00 O ATOM 334 OD2 ASP A 21 34.832 27.706 8.162 1.00 0.00 O ATOM 0 H ASP A 21 32.764 24.576 5.059 1.00 0.00 H new ATOM 0 HA ASP A 21 35.453 25.026 5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 21 33.329 26.535 5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 21 33.264 25.860 7.537 1.00 0.00 H new ATOM 339 N THR A 22 36.059 24.188 8.016 1.00 0.00 N ATOM 340 CA THR A 22 36.496 23.358 9.184 1.00 0.00 C ATOM 341 C THR A 22 36.043 24.028 10.478 1.00 0.00 C ATOM 342 O THR A 22 35.542 25.137 10.471 1.00 0.00 O ATOM 343 CB THR A 22 38.022 23.234 9.180 1.00 0.00 C ATOM 344 OG1 THR A 22 38.597 24.489 9.512 1.00 0.00 O ATOM 345 CG2 THR A 22 38.495 22.800 7.793 1.00 0.00 C ATOM 0 H THR A 22 36.676 24.967 7.785 1.00 0.00 H new ATOM 0 HA THR A 22 36.052 22.365 9.113 1.00 0.00 H new ATOM 0 HB THR A 22 38.331 22.489 9.914 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.529 24.512 9.210 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.581 22.712 7.790 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.052 21.836 7.543 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.189 23.542 7.056 1.00 0.00 H new ATOM 353 N ILE A 23 36.252 23.390 11.601 1.00 0.00 N ATOM 354 CA ILE A 23 35.857 24.026 12.890 1.00 0.00 C ATOM 355 C ILE A 23 36.989 24.953 13.329 1.00 0.00 C ATOM 356 O ILE A 23 36.765 26.046 13.811 1.00 0.00 O ATOM 357 CB ILE A 23 35.640 22.946 13.956 1.00 0.00 C ATOM 358 CG1 ILE A 23 34.764 21.820 13.386 1.00 0.00 C ATOM 359 CG2 ILE A 23 34.954 23.562 15.175 1.00 0.00 C ATOM 360 CD1 ILE A 23 33.494 22.403 12.761 1.00 0.00 C ATOM 0 H ILE A 23 36.675 22.465 11.680 1.00 0.00 H new ATOM 0 HA ILE A 23 34.931 24.587 12.764 1.00 0.00 H new ATOM 0 HB ILE A 23 36.605 22.534 14.252 1.00 0.00 H new ATOM 0 HG12 ILE A 23 35.322 21.259 12.637 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.500 21.119 14.178 1.00 0.00 H new ATOM 0 HG21 ILE A 23 34.800 22.794 15.933 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.581 24.354 15.584 1.00 0.00 H new ATOM 0 HG23 ILE A 23 33.991 23.978 14.879 1.00 0.00 H new ATOM 0 HD11 ILE A 23 32.882 21.595 12.361 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.930 22.944 13.521 1.00 0.00 H new ATOM 0 HD13 ILE A 23 33.765 23.086 11.956 1.00 0.00 H new ATOM 372 N GLU A 24 38.207 24.521 13.151 1.00 0.00 N ATOM 373 CA GLU A 24 39.369 25.362 13.537 1.00 0.00 C ATOM 374 C GLU A 24 39.404 26.606 12.648 1.00 0.00 C ATOM 375 O GLU A 24 39.880 27.650 13.046 1.00 0.00 O ATOM 376 CB GLU A 24 40.661 24.563 13.347 1.00 0.00 C ATOM 377 CG GLU A 24 40.576 23.753 12.052 1.00 0.00 C ATOM 378 CD GLU A 24 41.968 23.248 11.671 1.00 0.00 C ATOM 379 OE1 GLU A 24 42.816 24.074 11.374 1.00 0.00 O ATOM 380 OE2 GLU A 24 42.164 22.044 11.683 1.00 0.00 O ATOM 0 H GLU A 24 38.446 23.614 12.751 1.00 0.00 H new ATOM 0 HA GLU A 24 39.277 25.659 14.582 1.00 0.00 H new ATOM 0 HB2 GLU A 24 41.516 25.238 13.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 40.817 23.897 14.195 1.00 0.00 H new ATOM 0 HG2 GLU A 24 39.896 22.911 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 24 40.170 24.371 11.251 1.00 0.00 H new ATOM 387 N ASN A 25 38.890 26.511 11.452 1.00 0.00 N ATOM 388 CA ASN A 25 38.885 27.696 10.555 1.00 0.00 C ATOM 389 C ASN A 25 37.933 28.731 11.139 1.00 0.00 C ATOM 390 O ASN A 25 38.267 29.892 11.275 1.00 0.00 O ATOM 391 CB ASN A 25 38.413 27.294 9.156 1.00 0.00 C ATOM 392 CG ASN A 25 38.280 28.544 8.284 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.269 29.125 7.882 1.00 0.00 O ATOM 394 ND2 ASN A 25 37.093 28.987 7.975 1.00 0.00 N ATOM 0 H ASN A 25 38.475 25.666 11.060 1.00 0.00 H new ATOM 0 HA ASN A 25 39.891 28.107 10.476 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.122 26.598 8.707 1.00 0.00 H new ATOM 0 HB3 ASN A 25 37.455 26.777 9.218 1.00 0.00 H new ATOM 0 HD21 ASN A 25 36.995 29.821 7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 25 36.263 28.499 8.312 1.00 0.00 H new ATOM 401 N VAL A 26 36.750 28.321 11.512 1.00 0.00 N ATOM 402 CA VAL A 26 35.798 29.292 12.112 1.00 0.00 C ATOM 403 C VAL A 26 36.489 29.941 13.309 1.00 0.00 C ATOM 404 O VAL A 26 36.759 31.125 13.320 1.00 0.00 O ATOM 405 CB VAL A 26 34.549 28.553 12.588 1.00 0.00 C ATOM 406 CG1 VAL A 26 33.554 29.554 13.170 1.00 0.00 C ATOM 407 CG2 VAL A 26 33.908 27.823 11.407 1.00 0.00 C ATOM 0 H VAL A 26 36.407 27.364 11.427 1.00 0.00 H new ATOM 0 HA VAL A 26 35.507 30.045 11.380 1.00 0.00 H new ATOM 0 HB VAL A 26 34.825 27.830 13.355 1.00 0.00 H new ATOM 0 HG11 VAL A 26 32.663 29.026 13.509 1.00 0.00 H new ATOM 0 HG12 VAL A 26 34.011 30.073 14.012 1.00 0.00 H new ATOM 0 HG13 VAL A 26 33.277 30.278 12.404 1.00 0.00 H new ATOM 0 HG21 VAL A 26 33.017 27.295 11.746 1.00 0.00 H new ATOM 0 HG22 VAL A 26 33.632 28.546 10.639 1.00 0.00 H new ATOM 0 HG23 VAL A 26 34.618 27.107 10.993 1.00 0.00 H new ATOM 417 N LYS A 27 36.784 29.155 14.312 1.00 0.00 N ATOM 418 CA LYS A 27 37.473 29.679 15.526 1.00 0.00 C ATOM 419 C LYS A 27 38.569 30.670 15.114 1.00 0.00 C ATOM 420 O LYS A 27 38.835 31.640 15.796 1.00 0.00 O ATOM 421 CB LYS A 27 38.108 28.506 16.272 1.00 0.00 C ATOM 422 CG LYS A 27 37.010 27.610 16.846 1.00 0.00 C ATOM 423 CD LYS A 27 37.645 26.541 17.740 1.00 0.00 C ATOM 424 CE LYS A 27 36.547 25.692 18.385 1.00 0.00 C ATOM 425 NZ LYS A 27 37.170 24.643 19.240 1.00 0.00 N ATOM 0 H LYS A 27 36.573 28.158 14.340 1.00 0.00 H new ATOM 0 HA LYS A 27 36.753 30.189 16.167 1.00 0.00 H new ATOM 0 HB2 LYS A 27 38.743 27.933 15.596 1.00 0.00 H new ATOM 0 HB3 LYS A 27 38.747 28.875 17.074 1.00 0.00 H new ATOM 0 HG2 LYS A 27 36.301 28.206 17.420 1.00 0.00 H new ATOM 0 HG3 LYS A 27 36.450 27.139 16.038 1.00 0.00 H new ATOM 0 HD2 LYS A 27 38.309 25.908 17.151 1.00 0.00 H new ATOM 0 HD3 LYS A 27 38.254 27.013 18.511 1.00 0.00 H new ATOM 0 HE2 LYS A 27 35.890 26.322 18.984 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.930 25.230 17.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 36.425 24.065 19.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 37.780 24.036 18.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 37.741 25.094 19.983 1.00 0.00 H new ATOM 439 N ALA A 28 39.205 30.424 14.002 1.00 0.00 N ATOM 440 CA ALA A 28 40.283 31.341 13.537 1.00 0.00 C ATOM 441 C ALA A 28 39.672 32.680 13.107 1.00 0.00 C ATOM 442 O ALA A 28 40.029 33.727 13.611 1.00 0.00 O ATOM 443 CB ALA A 28 41.013 30.703 12.353 1.00 0.00 C ATOM 0 H ALA A 28 39.024 29.625 13.394 1.00 0.00 H new ATOM 0 HA ALA A 28 40.989 31.515 14.349 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.803 31.371 12.010 1.00 0.00 H new ATOM 0 HB2 ALA A 28 41.450 29.754 12.664 1.00 0.00 H new ATOM 0 HB3 ALA A 28 40.307 30.529 11.541 1.00 0.00 H new ATOM 449 N LYS A 29 38.756 32.657 12.175 1.00 0.00 N ATOM 450 CA LYS A 29 38.129 33.930 11.713 1.00 0.00 C ATOM 451 C LYS A 29 37.685 34.750 12.927 1.00 0.00 C ATOM 452 O LYS A 29 37.683 35.962 12.902 1.00 0.00 O ATOM 453 CB LYS A 29 36.923 33.606 10.825 1.00 0.00 C ATOM 454 CG LYS A 29 37.409 33.216 9.419 1.00 0.00 C ATOM 455 CD LYS A 29 36.344 32.376 8.717 1.00 0.00 C ATOM 456 CE LYS A 29 36.860 31.938 7.346 1.00 0.00 C ATOM 457 NZ LYS A 29 37.065 33.138 6.486 1.00 0.00 N ATOM 0 H LYS A 29 38.415 31.813 11.714 1.00 0.00 H new ATOM 0 HA LYS A 29 38.851 34.511 11.138 1.00 0.00 H new ATOM 0 HB2 LYS A 29 36.346 32.790 11.261 1.00 0.00 H new ATOM 0 HB3 LYS A 29 36.260 34.469 10.765 1.00 0.00 H new ATOM 0 HG2 LYS A 29 37.621 34.112 8.836 1.00 0.00 H new ATOM 0 HG3 LYS A 29 38.340 32.654 9.489 1.00 0.00 H new ATOM 0 HD2 LYS A 29 36.099 31.502 9.321 1.00 0.00 H new ATOM 0 HD3 LYS A 29 35.426 32.953 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 29 37.797 31.392 7.456 1.00 0.00 H new ATOM 0 HE3 LYS A 29 36.148 31.259 6.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.099 32.848 5.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 36.279 33.804 6.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 37.960 33.600 6.743 1.00 0.00 H new ATOM 471 N ILE A 30 37.331 34.098 13.996 1.00 0.00 N ATOM 472 CA ILE A 30 36.915 34.841 15.214 1.00 0.00 C ATOM 473 C ILE A 30 38.172 35.306 15.952 1.00 0.00 C ATOM 474 O ILE A 30 38.376 36.479 16.176 1.00 0.00 O ATOM 475 CB ILE A 30 36.102 33.918 16.122 1.00 0.00 C ATOM 476 CG1 ILE A 30 34.986 33.242 15.309 1.00 0.00 C ATOM 477 CG2 ILE A 30 35.488 34.734 17.262 1.00 0.00 C ATOM 478 CD1 ILE A 30 34.180 34.291 14.534 1.00 0.00 C ATOM 0 H ILE A 30 37.312 33.082 14.079 1.00 0.00 H new ATOM 0 HA ILE A 30 36.303 35.700 14.938 1.00 0.00 H new ATOM 0 HB ILE A 30 36.756 33.152 16.537 1.00 0.00 H new ATOM 0 HG12 ILE A 30 35.418 32.521 14.615 1.00 0.00 H new ATOM 0 HG13 ILE A 30 34.326 32.687 15.976 1.00 0.00 H new ATOM 0 HG21 ILE A 30 34.908 34.076 17.909 1.00 0.00 H new ATOM 0 HG22 ILE A 30 36.282 35.205 17.841 1.00 0.00 H new ATOM 0 HG23 ILE A 30 34.835 35.503 16.849 1.00 0.00 H new ATOM 0 HD11 ILE A 30 33.394 33.797 13.963 1.00 0.00 H new ATOM 0 HD12 ILE A 30 33.732 34.996 15.234 1.00 0.00 H new ATOM 0 HD13 ILE A 30 34.841 34.827 13.853 1.00 0.00 H new ATOM 490 N GLN A 31 39.001 34.379 16.339 1.00 0.00 N ATOM 491 CA GLN A 31 40.251 34.713 17.077 1.00 0.00 C ATOM 492 C GLN A 31 40.896 35.994 16.527 1.00 0.00 C ATOM 493 O GLN A 31 41.230 36.897 17.266 1.00 0.00 O ATOM 494 CB GLN A 31 41.231 33.547 16.909 1.00 0.00 C ATOM 495 CG GLN A 31 42.586 33.910 17.530 1.00 0.00 C ATOM 496 CD GLN A 31 43.447 34.667 16.513 1.00 0.00 C ATOM 497 OE1 GLN A 31 43.420 34.368 15.334 1.00 0.00 O ATOM 498 NE2 GLN A 31 44.215 35.641 16.921 1.00 0.00 N ATOM 0 H GLN A 31 38.862 33.382 16.171 1.00 0.00 H new ATOM 0 HA GLN A 31 40.011 34.878 18.127 1.00 0.00 H new ATOM 0 HB2 GLN A 31 40.831 32.652 17.386 1.00 0.00 H new ATOM 0 HB3 GLN A 31 41.356 33.315 15.851 1.00 0.00 H new ATOM 0 HG2 GLN A 31 42.435 34.524 18.418 1.00 0.00 H new ATOM 0 HG3 GLN A 31 43.101 33.005 17.852 1.00 0.00 H new ATOM 0 HE21 GLN A 31 44.238 35.892 17.909 1.00 0.00 H new ATOM 0 HE22 GLN A 31 44.792 36.150 16.251 1.00 0.00 H new ATOM 507 N ASP A 32 41.089 36.062 15.246 1.00 0.00 N ATOM 508 CA ASP A 32 41.736 37.272 14.646 1.00 0.00 C ATOM 509 C ASP A 32 40.782 38.477 14.671 1.00 0.00 C ATOM 510 O ASP A 32 41.129 39.544 15.137 1.00 0.00 O ATOM 511 CB ASP A 32 42.123 36.969 13.196 1.00 0.00 C ATOM 512 CG ASP A 32 43.127 35.816 13.166 1.00 0.00 C ATOM 513 OD1 ASP A 32 44.184 35.961 13.757 1.00 0.00 O ATOM 514 OD2 ASP A 32 42.822 34.805 12.553 1.00 0.00 O ATOM 0 H ASP A 32 40.829 35.335 14.580 1.00 0.00 H new ATOM 0 HA ASP A 32 42.621 37.518 15.233 1.00 0.00 H new ATOM 0 HB2 ASP A 32 41.236 36.708 12.619 1.00 0.00 H new ATOM 0 HB3 ASP A 32 42.556 37.855 12.731 1.00 0.00 H new ATOM 519 N LYS A 33 39.601 38.325 14.141 1.00 0.00 N ATOM 520 CA LYS A 33 38.644 39.470 14.098 1.00 0.00 C ATOM 521 C LYS A 33 38.332 39.983 15.510 1.00 0.00 C ATOM 522 O LYS A 33 38.307 41.174 15.748 1.00 0.00 O ATOM 523 CB LYS A 33 37.346 39.021 13.428 1.00 0.00 C ATOM 524 CG LYS A 33 37.629 38.474 12.012 1.00 0.00 C ATOM 525 CD LYS A 33 37.717 39.623 10.992 1.00 0.00 C ATOM 526 CE LYS A 33 36.316 40.006 10.495 1.00 0.00 C ATOM 527 NZ LYS A 33 35.656 38.814 9.892 1.00 0.00 N ATOM 0 H LYS A 33 39.255 37.456 13.734 1.00 0.00 H new ATOM 0 HA LYS A 33 39.102 40.279 13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 33 36.865 38.251 14.032 1.00 0.00 H new ATOM 0 HB3 LYS A 33 36.652 39.859 13.368 1.00 0.00 H new ATOM 0 HG2 LYS A 33 38.562 37.911 12.014 1.00 0.00 H new ATOM 0 HG3 LYS A 33 36.840 37.782 11.720 1.00 0.00 H new ATOM 0 HD2 LYS A 33 38.196 40.488 11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 33 38.339 39.323 10.149 1.00 0.00 H new ATOM 0 HE2 LYS A 33 35.717 40.386 11.323 1.00 0.00 H new ATOM 0 HE3 LYS A 33 36.387 40.806 9.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 35.234 39.076 8.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 36.361 38.064 9.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 34.911 38.469 10.531 1.00 0.00 H new ATOM 541 N GLU A 34 38.086 39.109 16.447 1.00 0.00 N ATOM 542 CA GLU A 34 37.767 39.569 17.832 1.00 0.00 C ATOM 543 C GLU A 34 39.062 39.738 18.627 1.00 0.00 C ATOM 544 O GLU A 34 39.154 40.567 19.511 1.00 0.00 O ATOM 545 CB GLU A 34 36.876 38.533 18.525 1.00 0.00 C ATOM 546 CG GLU A 34 35.771 38.088 17.565 1.00 0.00 C ATOM 547 CD GLU A 34 35.001 39.312 17.068 1.00 0.00 C ATOM 548 OE1 GLU A 34 35.394 39.863 16.052 1.00 0.00 O ATOM 549 OE2 GLU A 34 34.031 39.679 17.712 1.00 0.00 O ATOM 0 H GLU A 34 38.092 38.097 16.316 1.00 0.00 H new ATOM 0 HA GLU A 34 37.243 40.524 17.783 1.00 0.00 H new ATOM 0 HB2 GLU A 34 37.472 37.674 18.834 1.00 0.00 H new ATOM 0 HB3 GLU A 34 36.438 38.959 19.428 1.00 0.00 H new ATOM 0 HG2 GLU A 34 36.203 37.550 16.721 1.00 0.00 H new ATOM 0 HG3 GLU A 34 35.093 37.399 18.069 1.00 0.00 H new ATOM 556 N GLY A 35 40.062 38.956 18.329 1.00 0.00 N ATOM 557 CA GLY A 35 41.348 39.067 19.072 1.00 0.00 C ATOM 558 C GLY A 35 41.259 38.246 20.357 1.00 0.00 C ATOM 559 O GLY A 35 42.100 38.334 21.229 1.00 0.00 O ATOM 0 H GLY A 35 40.044 38.242 17.600 1.00 0.00 H new ATOM 0 HA2 GLY A 35 42.171 38.709 18.454 1.00 0.00 H new ATOM 0 HA3 GLY A 35 41.557 40.111 19.307 1.00 0.00 H new ATOM 563 N ILE A 36 40.236 37.447 20.473 1.00 0.00 N ATOM 564 CA ILE A 36 40.056 36.610 21.685 1.00 0.00 C ATOM 565 C ILE A 36 40.735 35.244 21.458 1.00 0.00 C ATOM 566 O ILE A 36 40.582 34.657 20.408 1.00 0.00 O ATOM 567 CB ILE A 36 38.561 36.411 21.893 1.00 0.00 C ATOM 568 CG1 ILE A 36 37.893 37.784 21.957 1.00 0.00 C ATOM 569 CG2 ILE A 36 38.317 35.663 23.200 1.00 0.00 C ATOM 570 CD1 ILE A 36 36.395 37.603 22.144 1.00 0.00 C ATOM 0 H ILE A 36 39.508 37.339 19.767 1.00 0.00 H new ATOM 0 HA ILE A 36 40.500 37.088 22.558 1.00 0.00 H new ATOM 0 HB ILE A 36 38.145 35.829 21.070 1.00 0.00 H new ATOM 0 HG12 ILE A 36 38.307 38.365 22.781 1.00 0.00 H new ATOM 0 HG13 ILE A 36 38.093 38.342 21.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 37.246 35.523 23.345 1.00 0.00 H new ATOM 0 HG22 ILE A 36 38.808 34.691 23.160 1.00 0.00 H new ATOM 0 HG23 ILE A 36 38.723 36.240 24.031 1.00 0.00 H new ATOM 0 HD11 ILE A 36 35.913 38.580 22.190 1.00 0.00 H new ATOM 0 HD12 ILE A 36 35.989 37.038 21.305 1.00 0.00 H new ATOM 0 HD13 ILE A 36 36.207 37.061 23.071 1.00 0.00 H new ATOM 582 N PRO A 37 41.473 34.731 22.420 1.00 0.00 N ATOM 583 CA PRO A 37 42.153 33.410 22.266 1.00 0.00 C ATOM 584 C PRO A 37 41.152 32.237 22.376 1.00 0.00 C ATOM 585 O PRO A 37 40.483 32.102 23.382 1.00 0.00 O ATOM 586 CB PRO A 37 43.147 33.387 23.437 1.00 0.00 C ATOM 587 CG PRO A 37 42.511 34.236 24.490 1.00 0.00 C ATOM 588 CD PRO A 37 41.744 35.331 23.743 1.00 0.00 C ATOM 0 HA PRO A 37 42.627 33.295 21.291 1.00 0.00 H new ATOM 0 HB2 PRO A 37 43.314 32.371 23.795 1.00 0.00 H new ATOM 0 HB3 PRO A 37 44.118 33.784 23.141 1.00 0.00 H new ATOM 0 HG2 PRO A 37 41.840 33.646 25.114 1.00 0.00 H new ATOM 0 HG3 PRO A 37 43.263 34.668 25.150 1.00 0.00 H new ATOM 0 HD2 PRO A 37 40.821 35.596 24.259 1.00 0.00 H new ATOM 0 HD3 PRO A 37 42.333 36.244 23.655 1.00 0.00 H new ATOM 596 N PRO A 38 41.039 31.392 21.368 1.00 0.00 N ATOM 597 CA PRO A 38 40.100 30.231 21.396 1.00 0.00 C ATOM 598 C PRO A 38 40.077 29.519 22.753 1.00 0.00 C ATOM 599 O PRO A 38 39.183 28.751 23.051 1.00 0.00 O ATOM 600 CB PRO A 38 40.654 29.316 20.316 1.00 0.00 C ATOM 601 CG PRO A 38 41.178 30.263 19.299 1.00 0.00 C ATOM 602 CD PRO A 38 41.772 31.436 20.088 1.00 0.00 C ATOM 0 HA PRO A 38 39.067 30.536 21.231 1.00 0.00 H new ATOM 0 HB2 PRO A 38 41.439 28.667 20.703 1.00 0.00 H new ATOM 0 HB3 PRO A 38 39.881 28.669 19.902 1.00 0.00 H new ATOM 0 HG2 PRO A 38 41.935 29.788 18.675 1.00 0.00 H new ATOM 0 HG3 PRO A 38 40.384 30.601 18.634 1.00 0.00 H new ATOM 0 HD2 PRO A 38 42.846 31.319 20.235 1.00 0.00 H new ATOM 0 HD3 PRO A 38 41.623 32.384 19.572 1.00 0.00 H new ATOM 610 N ASP A 39 41.056 29.773 23.572 1.00 0.00 N ATOM 611 CA ASP A 39 41.103 29.120 24.908 1.00 0.00 C ATOM 612 C ASP A 39 39.945 29.628 25.769 1.00 0.00 C ATOM 613 O ASP A 39 39.336 28.885 26.513 1.00 0.00 O ATOM 614 CB ASP A 39 42.431 29.450 25.591 1.00 0.00 C ATOM 615 CG ASP A 39 43.569 28.730 24.868 1.00 0.00 C ATOM 616 OD1 ASP A 39 44.120 29.310 23.947 1.00 0.00 O ATOM 617 OD2 ASP A 39 43.871 27.610 25.245 1.00 0.00 O ATOM 0 H ASP A 39 41.829 30.408 23.373 1.00 0.00 H new ATOM 0 HA ASP A 39 41.016 28.040 24.786 1.00 0.00 H new ATOM 0 HB2 ASP A 39 42.601 30.527 25.578 1.00 0.00 H new ATOM 0 HB3 ASP A 39 42.400 29.145 26.637 1.00 0.00 H new ATOM 622 N GLN A 40 39.651 30.894 25.682 1.00 0.00 N ATOM 623 CA GLN A 40 38.553 31.488 26.495 1.00 0.00 C ATOM 624 C GLN A 40 37.245 31.512 25.697 1.00 0.00 C ATOM 625 O GLN A 40 36.307 32.191 26.071 1.00 0.00 O ATOM 626 CB GLN A 40 38.939 32.920 26.860 1.00 0.00 C ATOM 627 CG GLN A 40 40.244 32.907 27.658 1.00 0.00 C ATOM 628 CD GLN A 40 40.542 34.314 28.177 1.00 0.00 C ATOM 629 OE1 GLN A 40 40.443 35.278 27.444 1.00 0.00 O ATOM 630 NE2 GLN A 40 40.906 34.475 29.420 1.00 0.00 N ATOM 0 H GLN A 40 40.133 31.554 25.072 1.00 0.00 H new ATOM 0 HA GLN A 40 38.405 30.887 27.392 1.00 0.00 H new ATOM 0 HB2 GLN A 40 39.058 33.518 25.956 1.00 0.00 H new ATOM 0 HB3 GLN A 40 38.146 33.384 27.446 1.00 0.00 H new ATOM 0 HG2 GLN A 40 40.165 32.210 28.492 1.00 0.00 H new ATOM 0 HG3 GLN A 40 41.063 32.559 27.029 1.00 0.00 H new ATOM 0 HE21 GLN A 40 40.989 33.666 30.036 1.00 0.00 H new ATOM 0 HE22 GLN A 40 41.107 35.410 29.776 1.00 0.00 H new ATOM 639 N GLN A 41 37.167 30.790 24.604 1.00 0.00 N ATOM 640 CA GLN A 41 35.910 30.782 23.782 1.00 0.00 C ATOM 641 C GLN A 41 35.438 29.341 23.570 1.00 0.00 C ATOM 642 O GLN A 41 36.221 28.455 23.294 1.00 0.00 O ATOM 643 CB GLN A 41 36.196 31.419 22.421 1.00 0.00 C ATOM 644 CG GLN A 41 36.725 32.840 22.623 1.00 0.00 C ATOM 645 CD GLN A 41 37.134 33.428 21.272 1.00 0.00 C ATOM 646 OE1 GLN A 41 36.297 33.870 20.510 1.00 0.00 O ATOM 647 NE2 GLN A 41 38.396 33.452 20.939 1.00 0.00 N ATOM 0 H GLN A 41 37.920 30.204 24.243 1.00 0.00 H new ATOM 0 HA GLN A 41 35.135 31.344 24.303 1.00 0.00 H new ATOM 0 HB2 GLN A 41 36.926 30.822 21.875 1.00 0.00 H new ATOM 0 HB3 GLN A 41 35.287 31.440 21.819 1.00 0.00 H new ATOM 0 HG2 GLN A 41 35.959 33.462 23.086 1.00 0.00 H new ATOM 0 HG3 GLN A 41 37.579 32.829 23.300 1.00 0.00 H new ATOM 0 HE21 GLN A 41 39.099 33.081 21.578 1.00 0.00 H new ATOM 0 HE22 GLN A 41 38.679 33.842 20.040 1.00 0.00 H new ATOM 656 N ARG A 42 34.152 29.112 23.672 1.00 0.00 N ATOM 657 CA ARG A 42 33.594 27.744 23.452 1.00 0.00 C ATOM 658 C ARG A 42 32.374 27.870 22.548 1.00 0.00 C ATOM 659 O ARG A 42 31.513 28.697 22.775 1.00 0.00 O ATOM 660 CB ARG A 42 33.186 27.129 24.790 1.00 0.00 C ATOM 661 CG ARG A 42 34.405 27.075 25.733 1.00 0.00 C ATOM 662 CD ARG A 42 34.246 25.924 26.737 1.00 0.00 C ATOM 663 NE ARG A 42 34.982 26.254 27.991 1.00 0.00 N ATOM 664 CZ ARG A 42 35.067 25.370 28.946 1.00 0.00 C ATOM 665 NH1 ARG A 42 35.712 25.658 30.045 1.00 0.00 N ATOM 666 NH2 ARG A 42 34.512 24.198 28.804 1.00 0.00 N ATOM 0 H ARG A 42 33.458 29.824 23.901 1.00 0.00 H new ATOM 0 HA ARG A 42 34.343 27.101 22.989 1.00 0.00 H new ATOM 0 HB2 ARG A 42 32.389 27.718 25.244 1.00 0.00 H new ATOM 0 HB3 ARG A 42 32.791 26.125 24.634 1.00 0.00 H new ATOM 0 HG2 ARG A 42 35.317 26.938 25.153 1.00 0.00 H new ATOM 0 HG3 ARG A 42 34.505 28.021 26.265 1.00 0.00 H new ATOM 0 HD2 ARG A 42 33.191 25.760 26.954 1.00 0.00 H new ATOM 0 HD3 ARG A 42 34.631 24.998 26.309 1.00 0.00 H new ATOM 0 HE ARG A 42 35.418 27.169 28.102 1.00 0.00 H new ATOM 0 HH11 ARG A 42 36.148 26.573 30.155 1.00 0.00 H new ATOM 0 HH12 ARG A 42 35.779 24.968 30.793 1.00 0.00 H new ATOM 0 HH21 ARG A 42 34.011 23.972 27.945 1.00 0.00 H new ATOM 0 HH22 ARG A 42 34.579 23.508 29.552 1.00 0.00 H new ATOM 680 N LEU A 43 32.291 27.082 21.516 1.00 0.00 N ATOM 681 CA LEU A 43 31.126 27.190 20.597 1.00 0.00 C ATOM 682 C LEU A 43 29.992 26.286 21.086 1.00 0.00 C ATOM 683 O LEU A 43 30.222 25.208 21.600 1.00 0.00 O ATOM 684 CB LEU A 43 31.549 26.748 19.196 1.00 0.00 C ATOM 685 CG LEU A 43 32.379 27.845 18.529 1.00 0.00 C ATOM 686 CD1 LEU A 43 33.558 28.232 19.426 1.00 0.00 C ATOM 687 CD2 LEU A 43 32.908 27.315 17.199 1.00 0.00 C ATOM 0 H LEU A 43 32.977 26.369 21.269 1.00 0.00 H new ATOM 0 HA LEU A 43 30.780 28.223 20.574 1.00 0.00 H new ATOM 0 HB2 LEU A 43 32.129 25.827 19.256 1.00 0.00 H new ATOM 0 HB3 LEU A 43 30.668 26.530 18.593 1.00 0.00 H new ATOM 0 HG LEU A 43 31.757 28.725 18.366 1.00 0.00 H new ATOM 0 HD11 LEU A 43 34.143 29.014 18.941 1.00 0.00 H new ATOM 0 HD12 LEU A 43 33.183 28.599 20.382 1.00 0.00 H new ATOM 0 HD13 LEU A 43 34.189 27.359 19.594 1.00 0.00 H new ATOM 0 HD21 LEU A 43 33.503 28.087 16.710 1.00 0.00 H new ATOM 0 HD22 LEU A 43 33.529 26.437 17.378 1.00 0.00 H new ATOM 0 HD23 LEU A 43 32.070 27.042 16.557 1.00 0.00 H new ATOM 699 N ILE A 44 28.770 26.715 20.904 1.00 0.00 N ATOM 700 CA ILE A 44 27.585 25.900 21.325 1.00 0.00 C ATOM 701 C ILE A 44 26.707 25.672 20.094 1.00 0.00 C ATOM 702 O ILE A 44 26.443 26.588 19.341 1.00 0.00 O ATOM 703 CB ILE A 44 26.779 26.671 22.377 1.00 0.00 C ATOM 704 CG1 ILE A 44 27.665 26.986 23.596 1.00 0.00 C ATOM 705 CG2 ILE A 44 25.571 25.831 22.819 1.00 0.00 C ATOM 706 CD1 ILE A 44 28.281 25.705 24.180 1.00 0.00 C ATOM 0 H ILE A 44 28.537 27.610 20.474 1.00 0.00 H new ATOM 0 HA ILE A 44 27.912 24.950 21.748 1.00 0.00 H new ATOM 0 HB ILE A 44 26.430 27.607 21.941 1.00 0.00 H new ATOM 0 HG12 ILE A 44 28.458 27.674 23.304 1.00 0.00 H new ATOM 0 HG13 ILE A 44 27.072 27.489 24.360 1.00 0.00 H new ATOM 0 HG21 ILE A 44 25.000 26.381 23.567 1.00 0.00 H new ATOM 0 HG22 ILE A 44 24.937 25.624 21.957 1.00 0.00 H new ATOM 0 HG23 ILE A 44 25.919 24.891 23.247 1.00 0.00 H new ATOM 0 HD11 ILE A 44 28.901 25.959 25.039 1.00 0.00 H new ATOM 0 HD12 ILE A 44 27.486 25.029 24.494 1.00 0.00 H new ATOM 0 HD13 ILE A 44 28.894 25.217 23.422 1.00 0.00 H new ATOM 718 N PHE A 45 26.260 24.465 19.861 1.00 0.00 N ATOM 719 CA PHE A 45 25.417 24.207 18.658 1.00 0.00 C ATOM 720 C PHE A 45 24.417 23.077 18.949 1.00 0.00 C ATOM 721 O PHE A 45 24.787 21.961 19.251 1.00 0.00 O ATOM 722 CB PHE A 45 26.339 23.819 17.490 1.00 0.00 C ATOM 723 CG PHE A 45 25.559 23.098 16.411 1.00 0.00 C ATOM 724 CD1 PHE A 45 24.644 23.800 15.622 1.00 0.00 C ATOM 725 CD2 PHE A 45 25.753 21.726 16.207 1.00 0.00 C ATOM 726 CE1 PHE A 45 23.920 23.134 14.626 1.00 0.00 C ATOM 727 CE2 PHE A 45 25.030 21.058 15.211 1.00 0.00 C ATOM 728 CZ PHE A 45 24.115 21.762 14.419 1.00 0.00 C ATOM 0 H PHE A 45 26.442 23.651 20.449 1.00 0.00 H new ATOM 0 HA PHE A 45 24.852 25.102 18.398 1.00 0.00 H new ATOM 0 HB2 PHE A 45 26.804 24.713 17.074 1.00 0.00 H new ATOM 0 HB3 PHE A 45 27.144 23.180 17.852 1.00 0.00 H new ATOM 0 HD1 PHE A 45 24.495 24.858 15.781 1.00 0.00 H new ATOM 0 HD2 PHE A 45 26.460 21.184 16.817 1.00 0.00 H new ATOM 0 HE1 PHE A 45 23.212 23.677 14.018 1.00 0.00 H new ATOM 0 HE2 PHE A 45 25.178 20.000 15.054 1.00 0.00 H new ATOM 0 HZ PHE A 45 23.560 21.248 13.649 1.00 0.00 H new ATOM 738 N ALA A 46 23.152 23.368 18.822 1.00 0.00 N ATOM 739 CA ALA A 46 22.102 22.333 19.046 1.00 0.00 C ATOM 740 C ALA A 46 22.313 21.592 20.370 1.00 0.00 C ATOM 741 O ALA A 46 21.851 20.481 20.534 1.00 0.00 O ATOM 742 CB ALA A 46 22.141 21.323 17.896 1.00 0.00 C ATOM 0 H ALA A 46 22.796 24.290 18.569 1.00 0.00 H new ATOM 0 HA ALA A 46 21.135 22.834 19.087 1.00 0.00 H new ATOM 0 HB1 ALA A 46 21.376 20.563 18.053 1.00 0.00 H new ATOM 0 HB2 ALA A 46 21.953 21.837 16.953 1.00 0.00 H new ATOM 0 HB3 ALA A 46 23.122 20.849 17.862 1.00 0.00 H new ATOM 748 N GLY A 47 22.985 22.182 21.328 1.00 0.00 N ATOM 749 CA GLY A 47 23.181 21.482 22.637 1.00 0.00 C ATOM 750 C GLY A 47 24.505 20.711 22.640 1.00 0.00 C ATOM 751 O GLY A 47 24.866 20.098 23.625 1.00 0.00 O ATOM 0 H GLY A 47 23.403 23.110 21.262 1.00 0.00 H new ATOM 0 HA2 GLY A 47 23.175 22.209 23.449 1.00 0.00 H new ATOM 0 HA3 GLY A 47 22.353 20.796 22.817 1.00 0.00 H new ATOM 755 N LYS A 48 25.237 20.739 21.552 1.00 0.00 N ATOM 756 CA LYS A 48 26.548 20.012 21.489 1.00 0.00 C ATOM 757 C LYS A 48 27.642 20.987 21.057 1.00 0.00 C ATOM 758 O LYS A 48 27.384 21.945 20.358 1.00 0.00 O ATOM 759 CB LYS A 48 26.447 18.883 20.470 1.00 0.00 C ATOM 760 CG LYS A 48 25.387 17.877 20.921 1.00 0.00 C ATOM 761 CD LYS A 48 25.288 16.745 19.896 1.00 0.00 C ATOM 762 CE LYS A 48 24.226 15.740 20.345 1.00 0.00 C ATOM 763 NZ LYS A 48 24.120 14.647 19.338 1.00 0.00 N ATOM 0 H LYS A 48 24.982 21.237 20.699 1.00 0.00 H new ATOM 0 HA LYS A 48 26.789 19.600 22.469 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.187 19.286 19.491 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.412 18.387 20.365 1.00 0.00 H new ATOM 0 HG2 LYS A 48 25.646 17.474 21.900 1.00 0.00 H new ATOM 0 HG3 LYS A 48 24.422 18.372 21.026 1.00 0.00 H new ATOM 0 HD2 LYS A 48 25.031 17.149 18.917 1.00 0.00 H new ATOM 0 HD3 LYS A 48 26.253 16.249 19.793 1.00 0.00 H new ATOM 0 HE2 LYS A 48 24.489 15.327 21.319 1.00 0.00 H new ATOM 0 HE3 LYS A 48 23.263 16.238 20.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 23.398 13.963 19.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 23.850 15.048 18.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 25.038 14.166 19.250 1.00 0.00 H new ATOM 777 N GLN A 49 28.865 20.755 21.460 1.00 0.00 N ATOM 778 CA GLN A 49 29.976 21.666 21.069 1.00 0.00 C ATOM 779 C GLN A 49 30.695 21.097 19.847 1.00 0.00 C ATOM 780 O GLN A 49 30.475 19.965 19.461 1.00 0.00 O ATOM 781 CB GLN A 49 30.959 21.785 22.225 1.00 0.00 C ATOM 782 CG GLN A 49 30.234 22.305 23.466 1.00 0.00 C ATOM 783 CD GLN A 49 31.230 22.446 24.620 1.00 0.00 C ATOM 784 OE1 GLN A 49 31.868 21.489 25.008 1.00 0.00 O ATOM 785 NE2 GLN A 49 31.392 23.611 25.185 1.00 0.00 N ATOM 0 H GLN A 49 29.141 19.968 22.047 1.00 0.00 H new ATOM 0 HA GLN A 49 29.574 22.650 20.828 1.00 0.00 H new ATOM 0 HB2 GLN A 49 31.408 20.814 22.434 1.00 0.00 H new ATOM 0 HB3 GLN A 49 31.771 22.461 21.956 1.00 0.00 H new ATOM 0 HG2 GLN A 49 29.771 23.268 23.252 1.00 0.00 H new ATOM 0 HG3 GLN A 49 29.433 21.621 23.745 1.00 0.00 H new ATOM 0 HE21 GLN A 49 30.856 24.415 24.859 1.00 0.00 H new ATOM 0 HE22 GLN A 49 32.055 23.718 25.953 1.00 0.00 H new ATOM 794 N LEU A 50 31.562 21.865 19.238 1.00 0.00 N ATOM 795 CA LEU A 50 32.307 21.366 18.039 1.00 0.00 C ATOM 796 C LEU A 50 33.712 20.940 18.469 1.00 0.00 C ATOM 797 O LEU A 50 34.355 21.597 19.264 1.00 0.00 O ATOM 798 CB LEU A 50 32.415 22.489 17.004 1.00 0.00 C ATOM 799 CG LEU A 50 31.041 23.129 16.787 1.00 0.00 C ATOM 800 CD1 LEU A 50 31.168 24.275 15.780 1.00 0.00 C ATOM 801 CD2 LEU A 50 30.060 22.080 16.247 1.00 0.00 C ATOM 0 H LEU A 50 31.788 22.819 19.519 1.00 0.00 H new ATOM 0 HA LEU A 50 31.779 20.518 17.603 1.00 0.00 H new ATOM 0 HB2 LEU A 50 33.127 23.241 17.343 1.00 0.00 H new ATOM 0 HB3 LEU A 50 32.794 22.093 16.062 1.00 0.00 H new ATOM 0 HG LEU A 50 30.668 23.515 17.736 1.00 0.00 H new ATOM 0 HD11 LEU A 50 30.191 24.732 15.624 1.00 0.00 H new ATOM 0 HD12 LEU A 50 31.861 25.023 16.165 1.00 0.00 H new ATOM 0 HD13 LEU A 50 31.543 23.887 14.833 1.00 0.00 H new ATOM 0 HD21 LEU A 50 29.084 22.540 16.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 30.430 21.690 15.299 1.00 0.00 H new ATOM 0 HD23 LEU A 50 29.969 21.264 16.964 1.00 0.00 H new ATOM 813 N GLU A 51 34.196 19.840 17.954 1.00 0.00 N ATOM 814 CA GLU A 51 35.562 19.367 18.335 1.00 0.00 C ATOM 815 C GLU A 51 36.585 19.892 17.326 1.00 0.00 C ATOM 816 O GLU A 51 36.254 20.214 16.203 1.00 0.00 O ATOM 817 CB GLU A 51 35.587 17.836 18.329 1.00 0.00 C ATOM 818 CG GLU A 51 34.540 17.307 19.312 1.00 0.00 C ATOM 819 CD GLU A 51 34.631 15.781 19.381 1.00 0.00 C ATOM 820 OE1 GLU A 51 35.448 15.223 18.667 1.00 0.00 O ATOM 821 OE2 GLU A 51 33.882 15.197 20.147 1.00 0.00 O ATOM 0 H GLU A 51 33.704 19.247 17.285 1.00 0.00 H new ATOM 0 HA GLU A 51 35.810 19.736 19.330 1.00 0.00 H new ATOM 0 HB2 GLU A 51 35.382 17.462 17.326 1.00 0.00 H new ATOM 0 HB3 GLU A 51 36.578 17.476 18.607 1.00 0.00 H new ATOM 0 HG2 GLU A 51 34.703 17.737 20.300 1.00 0.00 H new ATOM 0 HG3 GLU A 51 33.542 17.609 18.994 1.00 0.00 H new ATOM 828 N ASP A 52 37.827 19.983 17.719 1.00 0.00 N ATOM 829 CA ASP A 52 38.870 20.488 16.782 1.00 0.00 C ATOM 830 C ASP A 52 38.898 19.607 15.531 1.00 0.00 C ATOM 831 O ASP A 52 38.494 18.462 15.558 1.00 0.00 O ATOM 832 CB ASP A 52 40.237 20.445 17.468 1.00 0.00 C ATOM 833 CG ASP A 52 40.602 18.996 17.791 1.00 0.00 C ATOM 834 OD1 ASP A 52 39.794 18.125 17.511 1.00 0.00 O ATOM 835 OD2 ASP A 52 41.684 18.779 18.313 1.00 0.00 O ATOM 0 H ASP A 52 38.164 19.730 18.648 1.00 0.00 H new ATOM 0 HA ASP A 52 38.639 21.515 16.499 1.00 0.00 H new ATOM 0 HB2 ASP A 52 40.995 20.886 16.820 1.00 0.00 H new ATOM 0 HB3 ASP A 52 40.215 21.038 18.382 1.00 0.00 H new ATOM 840 N GLY A 53 39.370 20.133 14.434 1.00 0.00 N ATOM 841 CA GLY A 53 39.419 19.325 13.183 1.00 0.00 C ATOM 842 C GLY A 53 37.993 19.038 12.711 1.00 0.00 C ATOM 843 O GLY A 53 37.073 19.760 13.033 1.00 0.00 O ATOM 0 H GLY A 53 39.723 21.086 14.350 1.00 0.00 H new ATOM 0 HA2 GLY A 53 39.969 19.863 12.410 1.00 0.00 H new ATOM 0 HA3 GLY A 53 39.951 18.390 13.361 1.00 0.00 H new ATOM 847 N ARG A 54 37.811 17.987 11.951 1.00 0.00 N ATOM 848 CA ARG A 54 36.449 17.633 11.445 1.00 0.00 C ATOM 849 C ARG A 54 35.855 18.809 10.662 1.00 0.00 C ATOM 850 O ARG A 54 36.194 19.960 10.885 1.00 0.00 O ATOM 851 CB ARG A 54 35.534 17.265 12.619 1.00 0.00 C ATOM 852 CG ARG A 54 35.977 15.921 13.201 1.00 0.00 C ATOM 853 CD ARG A 54 35.222 15.651 14.502 1.00 0.00 C ATOM 854 NE ARG A 54 35.575 14.294 15.010 1.00 0.00 N ATOM 855 CZ ARG A 54 36.687 14.113 15.669 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.996 12.924 16.109 1.00 0.00 N ATOM 857 NH2 ARG A 54 37.488 15.120 15.888 1.00 0.00 N ATOM 0 H ARG A 54 38.554 17.354 11.657 1.00 0.00 H new ATOM 0 HA ARG A 54 36.532 16.774 10.778 1.00 0.00 H new ATOM 0 HB2 ARG A 54 35.577 18.039 13.386 1.00 0.00 H new ATOM 0 HB3 ARG A 54 34.498 17.206 12.284 1.00 0.00 H new ATOM 0 HG2 ARG A 54 35.785 15.122 12.485 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.051 15.930 13.387 1.00 0.00 H new ATOM 0 HD2 ARG A 54 35.476 16.407 15.246 1.00 0.00 H new ATOM 0 HD3 ARG A 54 34.147 15.719 14.332 1.00 0.00 H new ATOM 0 HE ARG A 54 34.948 13.507 14.842 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.369 12.138 15.938 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.865 12.781 16.624 1.00 0.00 H new ATOM 0 HH21 ARG A 54 37.245 16.049 15.544 1.00 0.00 H new ATOM 0 HH22 ARG A 54 38.357 14.978 16.403 1.00 0.00 H new ATOM 871 N THR A 55 34.955 18.525 9.747 1.00 0.00 N ATOM 872 CA THR A 55 34.302 19.596 8.935 1.00 0.00 C ATOM 873 C THR A 55 32.784 19.493 9.141 1.00 0.00 C ATOM 874 O THR A 55 32.284 18.489 9.606 1.00 0.00 O ATOM 875 CB THR A 55 34.677 19.380 7.455 1.00 0.00 C ATOM 876 OG1 THR A 55 35.934 19.988 7.202 1.00 0.00 O ATOM 877 CG2 THR A 55 33.627 19.989 6.519 1.00 0.00 C ATOM 0 H THR A 55 34.643 17.579 9.528 1.00 0.00 H new ATOM 0 HA THR A 55 34.634 20.589 9.238 1.00 0.00 H new ATOM 0 HB THR A 55 34.724 18.308 7.265 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.812 20.756 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.921 19.820 5.483 1.00 0.00 H new ATOM 0 HG22 THR A 55 32.660 19.521 6.703 1.00 0.00 H new ATOM 0 HG23 THR A 55 33.552 21.061 6.704 1.00 0.00 H new ATOM 885 N LEU A 56 32.044 20.513 8.800 1.00 0.00 N ATOM 886 CA LEU A 56 30.564 20.447 8.981 1.00 0.00 C ATOM 887 C LEU A 56 29.989 19.372 8.052 1.00 0.00 C ATOM 888 O LEU A 56 29.257 18.494 8.472 1.00 0.00 O ATOM 889 CB LEU A 56 29.944 21.804 8.633 1.00 0.00 C ATOM 890 CG LEU A 56 30.614 22.912 9.456 1.00 0.00 C ATOM 891 CD1 LEU A 56 30.156 24.279 8.939 1.00 0.00 C ATOM 892 CD2 LEU A 56 30.231 22.773 10.937 1.00 0.00 C ATOM 0 H LEU A 56 32.397 21.385 8.406 1.00 0.00 H new ATOM 0 HA LEU A 56 30.334 20.199 10.017 1.00 0.00 H new ATOM 0 HB2 LEU A 56 30.065 22.006 7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 56 28.873 21.787 8.835 1.00 0.00 H new ATOM 0 HG LEU A 56 31.696 22.824 9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 56 30.631 25.067 9.523 1.00 0.00 H new ATOM 0 HD12 LEU A 56 30.437 24.384 7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 56 29.073 24.360 9.034 1.00 0.00 H new ATOM 0 HD21 LEU A 56 30.712 23.564 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 56 29.149 22.854 11.042 1.00 0.00 H new ATOM 0 HD23 LEU A 56 30.560 21.803 11.308 1.00 0.00 H new ATOM 904 N SER A 57 30.328 19.422 6.792 1.00 0.00 N ATOM 905 CA SER A 57 29.808 18.392 5.852 1.00 0.00 C ATOM 906 C SER A 57 30.309 17.023 6.311 1.00 0.00 C ATOM 907 O SER A 57 29.547 16.092 6.483 1.00 0.00 O ATOM 908 CB SER A 57 30.322 18.680 4.440 1.00 0.00 C ATOM 909 OG SER A 57 31.744 18.640 4.439 1.00 0.00 O ATOM 0 H SER A 57 30.938 20.126 6.377 1.00 0.00 H new ATOM 0 HA SER A 57 28.718 18.409 5.842 1.00 0.00 H new ATOM 0 HB2 SER A 57 29.926 17.945 3.740 1.00 0.00 H new ATOM 0 HB3 SER A 57 29.974 19.658 4.107 1.00 0.00 H new ATOM 0 HG SER A 57 32.076 18.822 3.535 1.00 0.00 H new ATOM 915 N ASP A 58 31.590 16.902 6.518 1.00 0.00 N ATOM 916 CA ASP A 58 32.151 15.603 6.973 1.00 0.00 C ATOM 917 C ASP A 58 31.386 15.128 8.210 1.00 0.00 C ATOM 918 O ASP A 58 31.302 13.945 8.477 1.00 0.00 O ATOM 919 CB ASP A 58 33.631 15.775 7.322 1.00 0.00 C ATOM 920 CG ASP A 58 34.238 14.411 7.655 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.490 13.451 7.722 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.443 14.351 7.841 1.00 0.00 O ATOM 0 H ASP A 58 32.273 17.649 6.391 1.00 0.00 H new ATOM 0 HA ASP A 58 32.053 14.866 6.176 1.00 0.00 H new ATOM 0 HB2 ASP A 58 34.163 16.227 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 58 33.739 16.450 8.171 1.00 0.00 H new ATOM 927 N TYR A 59 30.822 16.031 8.968 1.00 0.00 N ATOM 928 CA TYR A 59 30.066 15.597 10.178 1.00 0.00 C ATOM 929 C TYR A 59 28.741 14.975 9.720 1.00 0.00 C ATOM 930 O TYR A 59 28.125 14.211 10.435 1.00 0.00 O ATOM 931 CB TYR A 59 29.805 16.833 11.080 1.00 0.00 C ATOM 932 CG TYR A 59 30.483 16.671 12.430 1.00 0.00 C ATOM 933 CD1 TYR A 59 31.546 17.510 12.793 1.00 0.00 C ATOM 934 CD2 TYR A 59 30.039 15.684 13.318 1.00 0.00 C ATOM 935 CE1 TYR A 59 32.162 17.360 14.040 1.00 0.00 C ATOM 936 CE2 TYR A 59 30.656 15.533 14.566 1.00 0.00 C ATOM 937 CZ TYR A 59 31.718 16.373 14.926 1.00 0.00 C ATOM 938 OH TYR A 59 32.325 16.225 16.157 1.00 0.00 O ATOM 0 H TYR A 59 30.851 17.037 8.805 1.00 0.00 H new ATOM 0 HA TYR A 59 30.633 14.861 10.749 1.00 0.00 H new ATOM 0 HB2 TYR A 59 30.176 17.732 10.588 1.00 0.00 H new ATOM 0 HB3 TYR A 59 28.732 16.966 11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 59 31.889 18.272 12.110 1.00 0.00 H new ATOM 0 HD2 TYR A 59 29.219 15.038 13.040 1.00 0.00 H new ATOM 0 HE1 TYR A 59 32.981 18.007 14.319 1.00 0.00 H new ATOM 0 HE2 TYR A 59 30.314 14.770 15.250 1.00 0.00 H new ATOM 0 HH TYR A 59 31.894 15.495 16.649 1.00 0.00 H new ATOM 948 N ASN A 60 28.301 15.303 8.534 1.00 0.00 N ATOM 949 CA ASN A 60 27.019 14.737 8.025 1.00 0.00 C ATOM 950 C ASN A 60 25.875 15.122 8.966 1.00 0.00 C ATOM 951 O ASN A 60 25.238 14.276 9.562 1.00 0.00 O ATOM 952 CB ASN A 60 27.125 13.211 7.940 1.00 0.00 C ATOM 953 CG ASN A 60 28.475 12.827 7.333 1.00 0.00 C ATOM 954 OD1 ASN A 60 29.270 12.157 7.962 1.00 0.00 O ATOM 955 ND2 ASN A 60 28.771 13.225 6.126 1.00 0.00 N ATOM 0 H ASN A 60 28.776 15.940 7.895 1.00 0.00 H new ATOM 0 HA ASN A 60 26.819 15.139 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 60 27.023 12.773 8.933 1.00 0.00 H new ATOM 0 HB3 ASN A 60 26.314 12.813 7.331 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.669 12.974 5.712 1.00 0.00 H new ATOM 0 HD22 ASN A 60 28.105 13.787 5.597 1.00 0.00 H new ATOM 962 N ILE A 61 25.612 16.393 9.105 1.00 0.00 N ATOM 963 CA ILE A 61 24.509 16.832 10.007 1.00 0.00 C ATOM 964 C ILE A 61 23.186 16.242 9.512 1.00 0.00 C ATOM 965 O ILE A 61 23.001 16.008 8.334 1.00 0.00 O ATOM 966 CB ILE A 61 24.422 18.360 10.005 1.00 0.00 C ATOM 967 CG1 ILE A 61 25.789 18.949 10.367 1.00 0.00 C ATOM 968 CG2 ILE A 61 23.387 18.815 11.036 1.00 0.00 C ATOM 969 CD1 ILE A 61 25.757 20.467 10.176 1.00 0.00 C ATOM 0 H ILE A 61 26.113 17.146 8.633 1.00 0.00 H new ATOM 0 HA ILE A 61 24.707 16.485 11.021 1.00 0.00 H new ATOM 0 HB ILE A 61 24.125 18.704 9.014 1.00 0.00 H new ATOM 0 HG12 ILE A 61 26.039 18.707 11.400 1.00 0.00 H new ATOM 0 HG13 ILE A 61 26.564 18.509 9.740 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.326 19.903 11.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 22.413 18.396 10.783 1.00 0.00 H new ATOM 0 HG23 ILE A 61 23.684 18.470 12.026 1.00 0.00 H new ATOM 0 HD11 ILE A 61 26.729 20.887 10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 61 25.526 20.698 9.136 1.00 0.00 H new ATOM 0 HD13 ILE A 61 24.993 20.899 10.822 1.00 0.00 H new ATOM 1066 N LEU A 67 23.042 26.499 8.664 1.00 0.00 N ATOM 1067 CA LEU A 67 23.780 26.119 9.905 1.00 0.00 C ATOM 1068 C LEU A 67 23.855 27.322 10.848 1.00 0.00 C ATOM 1069 O LEU A 67 24.431 28.342 10.525 1.00 0.00 O ATOM 1070 CB LEU A 67 25.198 25.673 9.538 1.00 0.00 C ATOM 1071 CG LEU A 67 25.144 24.659 8.388 1.00 0.00 C ATOM 1072 CD1 LEU A 67 26.569 24.265 7.991 1.00 0.00 C ATOM 1073 CD2 LEU A 67 24.374 23.409 8.836 1.00 0.00 C ATOM 0 HA LEU A 67 23.256 25.302 10.401 1.00 0.00 H new ATOM 0 HB2 LEU A 67 25.796 26.536 9.246 1.00 0.00 H new ATOM 0 HB3 LEU A 67 25.684 25.227 10.405 1.00 0.00 H new ATOM 0 HG LEU A 67 24.637 25.108 7.534 1.00 0.00 H new ATOM 0 HD11 LEU A 67 26.533 23.544 7.174 1.00 0.00 H new ATOM 0 HD12 LEU A 67 27.115 25.152 7.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 27.075 23.818 8.847 1.00 0.00 H new ATOM 0 HD21 LEU A 67 24.338 22.691 8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 67 24.878 22.958 9.691 1.00 0.00 H new ATOM 0 HD23 LEU A 67 23.359 23.689 9.119 1.00 0.00 H new ATOM 1085 N HIS A 68 23.273 27.204 12.015 1.00 0.00 N ATOM 1086 CA HIS A 68 23.300 28.328 13.004 1.00 0.00 C ATOM 1087 C HIS A 68 24.284 27.991 14.126 1.00 0.00 C ATOM 1088 O HIS A 68 24.230 26.927 14.707 1.00 0.00 O ATOM 1089 CB HIS A 68 21.901 28.511 13.597 1.00 0.00 C ATOM 1090 CG HIS A 68 21.493 27.252 14.313 1.00 0.00 C ATOM 1091 ND1 HIS A 68 21.048 26.126 13.635 1.00 0.00 N ATOM 1092 CD2 HIS A 68 21.456 26.926 15.647 1.00 0.00 C ATOM 1093 CE1 HIS A 68 20.766 25.183 14.553 1.00 0.00 C ATOM 1094 NE2 HIS A 68 20.997 25.622 15.792 1.00 0.00 N ATOM 0 H HIS A 68 22.776 26.370 12.329 1.00 0.00 H new ATOM 0 HA HIS A 68 23.612 29.247 12.507 1.00 0.00 H new ATOM 0 HB2 HIS A 68 21.894 29.354 14.288 1.00 0.00 H new ATOM 0 HB3 HIS A 68 21.186 28.741 12.807 1.00 0.00 H new ATOM 0 HD2 HIS A 68 21.740 27.581 16.457 1.00 0.00 H new ATOM 0 HE1 HIS A 68 20.399 24.195 14.317 1.00 0.00 H new ATOM 0 HE2 HIS A 68 20.864 25.108 16.663 1.00 0.00 H new ATOM 1103 N LEU A 69 25.181 28.894 14.434 1.00 0.00 N ATOM 1104 CA LEU A 69 26.182 28.645 15.523 1.00 0.00 C ATOM 1105 C LEU A 69 26.187 29.839 16.479 1.00 0.00 C ATOM 1106 O LEU A 69 25.913 30.956 16.089 1.00 0.00 O ATOM 1107 CB LEU A 69 27.579 28.499 14.909 1.00 0.00 C ATOM 1108 CG LEU A 69 27.583 27.382 13.856 1.00 0.00 C ATOM 1109 CD1 LEU A 69 28.924 27.387 13.119 1.00 0.00 C ATOM 1110 CD2 LEU A 69 27.379 26.018 14.533 1.00 0.00 C ATOM 0 H LEU A 69 25.265 29.801 13.975 1.00 0.00 H new ATOM 0 HA LEU A 69 25.917 27.734 16.060 1.00 0.00 H new ATOM 0 HB2 LEU A 69 27.883 29.441 14.452 1.00 0.00 H new ATOM 0 HB3 LEU A 69 28.306 28.275 15.690 1.00 0.00 H new ATOM 0 HG LEU A 69 26.771 27.554 13.149 1.00 0.00 H new ATOM 0 HD11 LEU A 69 28.931 26.595 12.370 1.00 0.00 H new ATOM 0 HD12 LEU A 69 29.067 28.350 12.629 1.00 0.00 H new ATOM 0 HD13 LEU A 69 29.731 27.219 13.832 1.00 0.00 H new ATOM 0 HD21 LEU A 69 27.383 25.232 13.777 1.00 0.00 H new ATOM 0 HD22 LEU A 69 28.185 25.841 15.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 26.424 26.011 15.058 1.00 0.00 H new ATOM 1122 N VAL A 70 26.506 29.613 17.731 1.00 0.00 N ATOM 1123 CA VAL A 70 26.545 30.728 18.727 1.00 0.00 C ATOM 1124 C VAL A 70 27.846 30.611 19.524 1.00 0.00 C ATOM 1125 O VAL A 70 28.071 29.642 20.221 1.00 0.00 O ATOM 1126 CB VAL A 70 25.349 30.604 19.674 1.00 0.00 C ATOM 1127 CG1 VAL A 70 25.329 31.789 20.641 1.00 0.00 C ATOM 1128 CG2 VAL A 70 24.054 30.593 18.859 1.00 0.00 C ATOM 0 H VAL A 70 26.743 28.695 18.108 1.00 0.00 H new ATOM 0 HA VAL A 70 26.499 31.692 18.221 1.00 0.00 H new ATOM 0 HB VAL A 70 25.434 29.677 20.241 1.00 0.00 H new ATOM 0 HG11 VAL A 70 24.476 31.696 21.313 1.00 0.00 H new ATOM 0 HG12 VAL A 70 26.250 31.799 21.224 1.00 0.00 H new ATOM 0 HG13 VAL A 70 25.247 32.718 20.077 1.00 0.00 H new ATOM 0 HG21 VAL A 70 23.201 30.505 19.532 1.00 0.00 H new ATOM 0 HG22 VAL A 70 23.974 31.520 18.291 1.00 0.00 H new ATOM 0 HG23 VAL A 70 24.063 29.747 18.172 1.00 0.00 H new ATOM 1138 N LEU A 71 28.712 31.582 19.418 1.00 0.00 N ATOM 1139 CA LEU A 71 30.008 31.524 20.156 1.00 0.00 C ATOM 1140 C LEU A 71 29.849 32.161 21.536 1.00 0.00 C ATOM 1141 O LEU A 71 29.076 33.082 21.717 1.00 0.00 O ATOM 1142 CB LEU A 71 31.072 32.285 19.352 1.00 0.00 C ATOM 1143 CG LEU A 71 32.478 32.111 19.996 1.00 0.00 C ATOM 1144 CD1 LEU A 71 33.539 31.942 18.896 1.00 0.00 C ATOM 1145 CD2 LEU A 71 32.831 33.347 20.845 1.00 0.00 C ATOM 0 H LEU A 71 28.577 32.418 18.849 1.00 0.00 H new ATOM 0 HA LEU A 71 30.313 30.485 20.282 1.00 0.00 H new ATOM 0 HB2 LEU A 71 31.089 31.920 18.325 1.00 0.00 H new ATOM 0 HB3 LEU A 71 30.815 33.343 19.309 1.00 0.00 H new ATOM 0 HG LEU A 71 32.461 31.226 20.632 1.00 0.00 H new ATOM 0 HD11 LEU A 71 34.521 31.821 19.353 1.00 0.00 H new ATOM 0 HD12 LEU A 71 33.306 31.061 18.298 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.543 32.824 18.256 1.00 0.00 H new ATOM 0 HD21 LEU A 71 33.817 33.213 21.290 1.00 0.00 H new ATOM 0 HD22 LEU A 71 32.836 34.234 20.212 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.090 33.470 21.635 1.00 0.00 H new ATOM 1157 N ARG A 72 30.586 31.683 22.510 1.00 0.00 N ATOM 1158 CA ARG A 72 30.508 32.252 23.893 1.00 0.00 C ATOM 1159 C ARG A 72 31.922 32.646 24.327 1.00 0.00 C ATOM 1160 O ARG A 72 32.882 31.991 23.973 1.00 0.00 O ATOM 1161 CB ARG A 72 29.958 31.178 24.847 1.00 0.00 C ATOM 1162 CG ARG A 72 29.588 31.787 26.225 1.00 0.00 C ATOM 1163 CD ARG A 72 30.744 31.609 27.219 1.00 0.00 C ATOM 1164 NE ARG A 72 31.056 30.158 27.360 1.00 0.00 N ATOM 1165 CZ ARG A 72 31.979 29.768 28.197 1.00 0.00 C ATOM 1166 NH1 ARG A 72 32.251 28.498 28.323 1.00 0.00 N ATOM 1167 NH2 ARG A 72 32.628 30.647 28.910 1.00 0.00 N ATOM 0 H ARG A 72 31.247 30.913 22.404 1.00 0.00 H new ATOM 0 HA ARG A 72 29.852 33.122 23.914 1.00 0.00 H new ATOM 0 HB2 ARG A 72 29.078 30.711 24.405 1.00 0.00 H new ATOM 0 HB3 ARG A 72 30.702 30.392 24.982 1.00 0.00 H new ATOM 0 HG2 ARG A 72 29.358 32.846 26.111 1.00 0.00 H new ATOM 0 HG3 ARG A 72 28.690 31.306 26.613 1.00 0.00 H new ATOM 0 HD2 ARG A 72 31.624 32.149 26.871 1.00 0.00 H new ATOM 0 HD3 ARG A 72 30.474 32.030 28.187 1.00 0.00 H new ATOM 0 HE ARG A 72 30.549 29.470 26.803 1.00 0.00 H new ATOM 0 HH11 ARG A 72 31.743 27.810 27.768 1.00 0.00 H new ATOM 0 HH12 ARG A 72 32.972 28.193 28.977 1.00 0.00 H new ATOM 0 HH21 ARG A 72 32.414 31.640 28.814 1.00 0.00 H new ATOM 0 HH22 ARG A 72 33.349 30.341 29.564 1.00 0.00 H new ATOM 1181 N LEU A 73 32.063 33.702 25.094 1.00 0.00 N ATOM 1182 CA LEU A 73 33.421 34.136 25.559 1.00 0.00 C ATOM 1183 C LEU A 73 33.481 34.043 27.087 1.00 0.00 C ATOM 1184 O LEU A 73 32.659 34.606 27.783 1.00 0.00 O ATOM 1185 CB LEU A 73 33.675 35.590 25.123 1.00 0.00 C ATOM 1186 CG LEU A 73 32.392 36.440 25.310 1.00 0.00 C ATOM 1187 CD1 LEU A 73 32.767 37.883 25.671 1.00 0.00 C ATOM 1188 CD2 LEU A 73 31.569 36.449 24.009 1.00 0.00 C ATOM 0 H LEU A 73 31.292 34.285 25.420 1.00 0.00 H new ATOM 0 HA LEU A 73 34.182 33.491 25.121 1.00 0.00 H new ATOM 0 HB2 LEU A 73 34.490 36.015 25.709 1.00 0.00 H new ATOM 0 HB3 LEU A 73 33.987 35.615 24.079 1.00 0.00 H new ATOM 0 HG LEU A 73 31.801 36.002 26.114 1.00 0.00 H new ATOM 0 HD11 LEU A 73 31.860 38.473 25.801 1.00 0.00 H new ATOM 0 HD12 LEU A 73 33.339 37.889 26.599 1.00 0.00 H new ATOM 0 HD13 LEU A 73 33.369 38.314 24.871 1.00 0.00 H new ATOM 0 HD21 LEU A 73 30.670 37.049 24.151 1.00 0.00 H new ATOM 0 HD22 LEU A 73 32.166 36.876 23.203 1.00 0.00 H new ATOM 0 HD23 LEU A 73 31.287 35.429 23.750 1.00 0.00 H new