USER MOD reduce.3.24.130724 H: found=0, std=0, add=768, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 764 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 Single : A 1 HIS : no HD1:sc= -0.289 X(o=-0.29,f=-0.31) USER MOD Single : A 1 HIS N :NH3+ -155:sc=-0.00876 (180deg=-0.976!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.816 K(o=-0.82,f=-1.5!) USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= -3.34! C(o=-3.3!,f=-9.7!) USER MOD Single : A 18 TYR OH : rot -49:sc= -9.11! USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0215 F(o=-0.67,f=-0.022) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 101:sc= -0.471 USER MOD Single : B 1 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.32) USER MOD Single : B 1 HIS N :NH3+ -155:sc= -0.0042 (180deg=-1.08!) USER MOD Single : B 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 4 HIS : no HD1:sc= -0.838 K(o=-0.84,f=-1.4) USER MOD Single : B 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 12 THR OG1 : rot 180:sc= 0 USER MOD Single : B 16 GLN : amide:sc= -3.56! C(o=-3.6!,f=-10!) USER MOD Single : B 18 TYR OH : rot -49:sc= -9.18! USER MOD Single : B 19 THR OG1 : rot 180:sc= 0 USER MOD Single : B 25 GLN :FLIP amide:sc= -0.0151 F(o=-0.61,f=-0.015) USER MOD Single : B 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 37 TYR OH : rot 180:sc= 0 USER MOD Single : B 39 THR OG1 : rot 101:sc= -0.545 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -4.089 5.841 7.835 1.00 10.00 N ATOM 2 CA HIS A 1 -4.057 7.082 8.660 1.00 10.00 C ATOM 3 C HIS A 1 -5.441 7.354 9.257 1.00 10.00 C ATOM 4 O HIS A 1 -5.594 7.500 10.453 1.00 10.00 O ATOM 5 CB HIS A 1 -3.662 8.195 7.689 1.00 10.00 C ATOM 6 CG HIS A 1 -2.519 7.731 6.830 1.00 10.00 C ATOM 7 ND1 HIS A 1 -2.647 7.558 5.461 1.00 10.00 N ATOM 8 CD2 HIS A 1 -1.221 7.400 7.130 1.00 10.00 C ATOM 9 CE1 HIS A 1 -1.457 7.141 4.992 1.00 10.00 C ATOM 10 NE2 HIS A 1 -0.552 7.027 5.968 1.00 10.00 N ATOM 0 H1 HIS A 1 -3.135 5.431 7.788 1.00 10.00 H new ATOM 0 H2 HIS A 1 -4.740 5.154 8.266 1.00 10.00 H new ATOM 0 H3 HIS A 1 -4.415 6.071 6.874 1.00 10.00 H new ATOM 0 HA HIS A 1 -3.360 7.006 9.495 1.00 10.00 H new ATOM 0 HB2 HIS A 1 -4.513 8.466 7.064 1.00 10.00 H new ATOM 0 HB3 HIS A 1 -3.375 9.089 8.242 1.00 10.00 H new ATOM 0 HD2 HIS A 1 -0.785 7.425 8.118 1.00 10.00 H new ATOM 0 HE1 HIS A 1 -1.258 6.925 3.953 1.00 10.00 H new ATOM 0 HE2 HIS A 1 0.420 6.730 5.880 1.00 10.00 H new ATOM 20 N MET A 2 -6.449 7.423 8.431 1.00 10.00 N ATOM 21 CA MET A 2 -7.823 7.684 8.952 1.00 10.00 C ATOM 22 C MET A 2 -7.802 8.868 9.922 1.00 10.00 C ATOM 23 O MET A 2 -8.140 8.738 11.082 1.00 10.00 O ATOM 24 CB MET A 2 -8.223 6.399 9.679 1.00 10.00 C ATOM 25 CG MET A 2 -9.673 6.051 9.339 1.00 10.00 C ATOM 26 SD MET A 2 -10.187 4.605 10.298 1.00 10.00 S ATOM 27 CE MET A 2 -11.972 4.833 10.113 1.00 10.00 C ATOM 0 H MET A 2 -6.382 7.310 7.419 1.00 10.00 H new ATOM 0 HA MET A 2 -8.526 7.936 8.158 1.00 10.00 H new ATOM 0 HB2 MET A 2 -7.563 5.582 9.386 1.00 10.00 H new ATOM 0 HB3 MET A 2 -8.112 6.528 10.756 1.00 10.00 H new ATOM 0 HG2 MET A 2 -10.323 6.897 9.561 1.00 10.00 H new ATOM 0 HG3 MET A 2 -9.769 5.846 8.273 1.00 10.00 H new ATOM 0 HE1 MET A 2 -12.497 4.035 10.638 1.00 10.00 H new ATOM 0 HE2 MET A 2 -12.261 5.796 10.534 1.00 10.00 H new ATOM 0 HE3 MET A 2 -12.235 4.806 9.055 1.00 10.00 H new ATOM 37 N GLY A 3 -7.410 10.023 9.455 1.00 10.00 N ATOM 38 CA GLY A 3 -7.371 11.213 10.351 1.00 10.00 C ATOM 39 C GLY A 3 -6.801 12.409 9.586 1.00 10.00 C ATOM 40 O GLY A 3 -7.299 13.513 9.681 1.00 10.00 O ATOM 0 H GLY A 3 -7.116 10.193 8.493 1.00 10.00 H new ATOM 0 HA2 GLY A 3 -8.374 11.443 10.712 1.00 10.00 H new ATOM 0 HA3 GLY A 3 -6.758 11.002 11.227 1.00 10.00 H new ATOM 44 N HIS A 4 -5.760 12.198 8.828 1.00 10.00 N ATOM 45 CA HIS A 4 -5.158 13.325 8.056 1.00 10.00 C ATOM 46 C HIS A 4 -4.349 12.780 6.876 1.00 10.00 C ATOM 47 O HIS A 4 -4.080 11.599 6.788 1.00 10.00 O ATOM 48 CB HIS A 4 -4.243 14.061 9.043 1.00 10.00 C ATOM 49 CG HIS A 4 -3.989 13.200 10.252 1.00 10.00 C ATOM 50 ND1 HIS A 4 -3.322 11.988 10.171 1.00 10.00 N ATOM 51 CD2 HIS A 4 -4.307 13.365 11.579 1.00 10.00 C ATOM 52 CE1 HIS A 4 -3.261 11.474 11.414 1.00 10.00 C ATOM 53 NE2 HIS A 4 -3.847 12.274 12.309 1.00 10.00 N ATOM 0 H HIS A 4 -5.300 11.296 8.709 1.00 10.00 H new ATOM 0 HA HIS A 4 -5.918 13.990 7.645 1.00 10.00 H new ATOM 0 HB2 HIS A 4 -3.299 14.310 8.559 1.00 10.00 H new ATOM 0 HB3 HIS A 4 -4.704 15.001 9.346 1.00 10.00 H new ATOM 0 HD2 HIS A 4 -4.834 14.213 11.992 1.00 10.00 H new ATOM 0 HE1 HIS A 4 -2.795 10.530 11.658 1.00 10.00 H new ATOM 0 HE2 HIS A 4 -3.938 12.118 13.313 1.00 10.00 H new ATOM 61 N ILE A 5 -3.962 13.631 5.967 1.00 10.00 N ATOM 62 CA ILE A 5 -3.172 13.159 4.792 1.00 10.00 C ATOM 63 C ILE A 5 -1.934 14.039 4.597 1.00 10.00 C ATOM 64 O ILE A 5 -2.033 15.222 4.340 1.00 10.00 O ATOM 65 CB ILE A 5 -4.119 13.295 3.601 1.00 10.00 C ATOM 66 CG1 ILE A 5 -5.179 12.190 3.661 1.00 10.00 C ATOM 67 CG2 ILE A 5 -3.323 13.171 2.299 1.00 10.00 C ATOM 68 CD1 ILE A 5 -4.558 10.858 3.236 1.00 10.00 C ATOM 0 H ILE A 5 -4.157 14.632 5.985 1.00 10.00 H new ATOM 0 HA ILE A 5 -2.816 12.136 4.917 1.00 10.00 H new ATOM 0 HB ILE A 5 -4.608 14.268 3.636 1.00 10.00 H new ATOM 0 HG12 ILE A 5 -5.578 12.110 4.672 1.00 10.00 H new ATOM 0 HG13 ILE A 5 -6.015 12.438 3.007 1.00 10.00 H new ATOM 0 HG21 ILE A 5 -3.998 13.268 1.449 1.00 10.00 H new ATOM 0 HG22 ILE A 5 -2.570 13.958 2.256 1.00 10.00 H new ATOM 0 HG23 ILE A 5 -2.833 12.198 2.264 1.00 10.00 H new ATOM 0 HD11 ILE A 5 -5.314 10.074 3.280 1.00 10.00 H new ATOM 0 HD12 ILE A 5 -4.180 10.941 2.217 1.00 10.00 H new ATOM 0 HD13 ILE A 5 -3.737 10.608 3.908 1.00 10.00 H new ATOM 80 N GLN A 6 -0.767 13.468 4.715 1.00 10.00 N ATOM 81 CA GLN A 6 0.478 14.267 4.535 1.00 10.00 C ATOM 82 C GLN A 6 1.588 13.387 3.956 1.00 10.00 C ATOM 83 O GLN A 6 2.723 13.437 4.388 1.00 10.00 O ATOM 84 CB GLN A 6 0.849 14.747 5.940 1.00 10.00 C ATOM 85 CG GLN A 6 0.736 13.583 6.925 1.00 10.00 C ATOM 86 CD GLN A 6 1.879 13.658 7.938 1.00 10.00 C ATOM 87 OE1 GLN A 6 1.972 14.602 8.698 1.00 10.00 O ATOM 88 NE2 GLN A 6 2.761 12.697 7.982 1.00 10.00 N ATOM 0 H GLN A 6 -0.622 12.481 4.929 1.00 10.00 H new ATOM 0 HA GLN A 6 0.340 15.100 3.845 1.00 10.00 H new ATOM 0 HB2 GLN A 6 1.865 15.143 5.944 1.00 10.00 H new ATOM 0 HB3 GLN A 6 0.189 15.559 6.244 1.00 10.00 H new ATOM 0 HG2 GLN A 6 -0.224 13.621 7.440 1.00 10.00 H new ATOM 0 HG3 GLN A 6 0.773 12.635 6.389 1.00 10.00 H new ATOM 0 HE21 GLN A 6 2.684 11.904 7.345 1.00 10.00 H new ATOM 0 HE22 GLN A 6 3.527 12.739 8.654 1.00 10.00 H new ATOM 97 N ILE A 7 1.268 12.578 2.983 1.00 10.00 N ATOM 98 CA ILE A 7 2.305 11.691 2.378 1.00 10.00 C ATOM 99 C ILE A 7 2.554 12.086 0.920 1.00 10.00 C ATOM 100 O ILE A 7 1.697 11.915 0.075 1.00 10.00 O ATOM 101 CB ILE A 7 1.715 10.283 2.459 1.00 10.00 C ATOM 102 CG1 ILE A 7 1.517 9.896 3.927 1.00 10.00 C ATOM 103 CG2 ILE A 7 2.672 9.290 1.796 1.00 10.00 C ATOM 104 CD1 ILE A 7 2.876 9.826 4.625 1.00 10.00 C ATOM 0 H ILE A 7 0.335 12.492 2.580 1.00 10.00 H new ATOM 0 HA ILE A 7 3.263 11.763 2.893 1.00 10.00 H new ATOM 0 HB ILE A 7 0.754 10.262 1.944 1.00 10.00 H new ATOM 0 HG12 ILE A 7 0.879 10.627 4.424 1.00 10.00 H new ATOM 0 HG13 ILE A 7 1.012 8.933 3.995 1.00 10.00 H new ATOM 0 HG21 ILE A 7 2.252 8.286 1.854 1.00 10.00 H new ATOM 0 HG22 ILE A 7 2.814 9.564 0.751 1.00 10.00 H new ATOM 0 HG23 ILE A 7 3.633 9.311 2.311 1.00 10.00 H new ATOM 0 HD11 ILE A 7 2.735 9.550 5.670 1.00 10.00 H new ATOM 0 HD12 ILE A 7 3.499 9.079 4.134 1.00 10.00 H new ATOM 0 HD13 ILE A 7 3.364 10.799 4.569 1.00 10.00 H new ATOM 116 N PRO A 8 3.729 12.600 0.674 1.00 10.00 N ATOM 117 CA PRO A 8 4.107 13.024 -0.696 1.00 10.00 C ATOM 118 C PRO A 8 4.316 11.805 -1.597 1.00 10.00 C ATOM 119 O PRO A 8 5.013 10.877 -1.237 1.00 10.00 O ATOM 120 CB PRO A 8 5.411 13.781 -0.494 1.00 10.00 C ATOM 121 CG PRO A 8 5.972 13.233 0.771 1.00 10.00 C ATOM 122 CD PRO A 8 4.807 12.834 1.636 1.00 10.00 C ATOM 0 HA PRO A 8 3.341 13.630 -1.181 1.00 10.00 H new ATOM 0 HB2 PRO A 8 6.093 13.626 -1.330 1.00 10.00 H new ATOM 0 HB3 PRO A 8 5.238 14.855 -0.419 1.00 10.00 H new ATOM 0 HG2 PRO A 8 6.613 12.375 0.568 1.00 10.00 H new ATOM 0 HG3 PRO A 8 6.588 13.979 1.274 1.00 10.00 H new ATOM 0 HD2 PRO A 8 5.027 11.939 2.217 1.00 10.00 H new ATOM 0 HD3 PRO A 8 4.547 13.619 2.346 1.00 10.00 H new ATOM 130 N PRO A 9 3.698 11.849 -2.746 1.00 10.00 N ATOM 131 CA PRO A 9 3.811 10.733 -3.715 1.00 10.00 C ATOM 132 C PRO A 9 5.199 10.725 -4.363 1.00 10.00 C ATOM 133 O PRO A 9 6.088 11.448 -3.958 1.00 10.00 O ATOM 134 CB PRO A 9 2.732 11.045 -4.748 1.00 10.00 C ATOM 135 CG PRO A 9 2.528 12.524 -4.661 1.00 10.00 C ATOM 136 CD PRO A 9 2.843 12.932 -3.245 1.00 10.00 C ATOM 0 HA PRO A 9 3.685 9.753 -3.256 1.00 10.00 H new ATOM 0 HB2 PRO A 9 3.046 10.748 -5.749 1.00 10.00 H new ATOM 0 HB3 PRO A 9 1.810 10.506 -4.530 1.00 10.00 H new ATOM 0 HG2 PRO A 9 3.177 13.044 -5.365 1.00 10.00 H new ATOM 0 HG3 PRO A 9 1.502 12.787 -4.919 1.00 10.00 H new ATOM 0 HD2 PRO A 9 3.356 13.893 -3.211 1.00 10.00 H new ATOM 0 HD3 PRO A 9 1.937 13.033 -2.648 1.00 10.00 H new ATOM 144 N GLY A 10 5.390 9.910 -5.364 1.00 10.00 N ATOM 145 CA GLY A 10 6.719 9.854 -6.036 1.00 10.00 C ATOM 146 C GLY A 10 7.550 8.722 -5.430 1.00 10.00 C ATOM 147 O GLY A 10 8.280 8.039 -6.119 1.00 10.00 O ATOM 0 H GLY A 10 4.684 9.281 -5.745 1.00 10.00 H new ATOM 0 HA2 GLY A 10 6.591 9.692 -7.106 1.00 10.00 H new ATOM 0 HA3 GLY A 10 7.239 10.805 -5.917 1.00 10.00 H new ATOM 151 N LEU A 11 7.444 8.517 -4.145 1.00 10.00 N ATOM 152 CA LEU A 11 8.228 7.428 -3.495 1.00 10.00 C ATOM 153 C LEU A 11 7.600 6.067 -3.802 1.00 10.00 C ATOM 154 O LEU A 11 8.170 5.032 -3.517 1.00 10.00 O ATOM 155 CB LEU A 11 8.153 7.729 -1.997 1.00 10.00 C ATOM 156 CG LEU A 11 8.691 6.534 -1.208 1.00 10.00 C ATOM 157 CD1 LEU A 11 10.100 6.189 -1.696 1.00 10.00 C ATOM 158 CD2 LEU A 11 8.741 6.888 0.280 1.00 10.00 C ATOM 0 H LEU A 11 6.848 9.057 -3.517 1.00 10.00 H new ATOM 0 HA LEU A 11 9.257 7.389 -3.853 1.00 10.00 H new ATOM 0 HB2 LEU A 11 8.733 8.622 -1.765 1.00 10.00 H new ATOM 0 HB3 LEU A 11 7.122 7.935 -1.708 1.00 10.00 H new ATOM 0 HG LEU A 11 8.035 5.676 -1.358 1.00 10.00 H new ATOM 0 HD11 LEU A 11 10.482 5.337 -1.133 1.00 10.00 H new ATOM 0 HD12 LEU A 11 10.066 5.937 -2.756 1.00 10.00 H new ATOM 0 HD13 LEU A 11 10.757 7.046 -1.547 1.00 10.00 H new ATOM 0 HD21 LEU A 11 9.124 6.037 0.844 1.00 10.00 H new ATOM 0 HD22 LEU A 11 9.396 7.746 0.428 1.00 10.00 H new ATOM 0 HD23 LEU A 11 7.738 7.133 0.630 1.00 10.00 H new ATOM 170 N THR A 12 6.429 6.059 -4.378 1.00 10.00 N ATOM 171 CA THR A 12 5.765 4.764 -4.700 1.00 10.00 C ATOM 172 C THR A 12 6.619 3.956 -5.677 1.00 10.00 C ATOM 173 O THR A 12 7.098 2.885 -5.364 1.00 10.00 O ATOM 174 CB THR A 12 4.433 5.153 -5.344 1.00 10.00 C ATOM 175 OG1 THR A 12 3.525 5.571 -4.333 1.00 10.00 O ATOM 176 CG2 THR A 12 3.854 3.950 -6.091 1.00 10.00 C ATOM 0 H THR A 12 5.903 6.893 -4.640 1.00 10.00 H new ATOM 0 HA THR A 12 5.625 4.141 -3.816 1.00 10.00 H new ATOM 0 HB THR A 12 4.593 5.970 -6.048 1.00 10.00 H new ATOM 0 HG1 THR A 12 2.671 5.822 -4.744 1.00 10.00 H new ATOM 0 HG21 THR A 12 2.905 4.229 -6.549 1.00 10.00 H new ATOM 0 HG22 THR A 12 4.552 3.633 -6.866 1.00 10.00 H new ATOM 0 HG23 THR A 12 3.692 3.130 -5.391 1.00 10.00 H new ATOM 184 N GLU A 13 6.806 4.465 -6.860 1.00 10.00 N ATOM 185 CA GLU A 13 7.625 3.738 -7.873 1.00 10.00 C ATOM 186 C GLU A 13 8.834 3.076 -7.206 1.00 10.00 C ATOM 187 O GLU A 13 9.039 1.884 -7.315 1.00 10.00 O ATOM 188 CB GLU A 13 8.082 4.814 -8.859 1.00 10.00 C ATOM 189 CG GLU A 13 8.327 4.181 -10.230 1.00 10.00 C ATOM 190 CD GLU A 13 7.082 4.350 -11.101 1.00 10.00 C ATOM 191 OE1 GLU A 13 6.074 4.799 -10.580 1.00 10.00 O ATOM 192 OE2 GLU A 13 7.156 4.029 -12.276 1.00 10.00 O ATOM 0 H GLU A 13 6.426 5.358 -7.173 1.00 10.00 H new ATOM 0 HA GLU A 13 7.061 2.945 -8.364 1.00 10.00 H new ATOM 0 HB2 GLU A 13 7.326 5.595 -8.937 1.00 10.00 H new ATOM 0 HB3 GLU A 13 8.994 5.289 -8.498 1.00 10.00 H new ATOM 0 HG2 GLU A 13 9.186 4.650 -10.710 1.00 10.00 H new ATOM 0 HG3 GLU A 13 8.563 3.123 -10.117 1.00 10.00 H new ATOM 199 N LEU A 14 9.637 3.840 -6.517 1.00 10.00 N ATOM 200 CA LEU A 14 10.832 3.254 -5.845 1.00 10.00 C ATOM 201 C LEU A 14 10.450 1.965 -5.111 1.00 10.00 C ATOM 202 O LEU A 14 10.854 0.883 -5.486 1.00 10.00 O ATOM 203 CB LEU A 14 11.291 4.320 -4.851 1.00 10.00 C ATOM 204 CG LEU A 14 12.603 4.940 -5.337 1.00 10.00 C ATOM 205 CD1 LEU A 14 12.299 6.151 -6.221 1.00 10.00 C ATOM 206 CD2 LEU A 14 13.434 5.386 -4.132 1.00 10.00 C ATOM 0 H LEU A 14 9.517 4.845 -6.390 1.00 10.00 H new ATOM 0 HA LEU A 14 11.617 2.993 -6.555 1.00 10.00 H new ATOM 0 HB2 LEU A 14 10.527 5.091 -4.750 1.00 10.00 H new ATOM 0 HB3 LEU A 14 11.429 3.877 -3.865 1.00 10.00 H new ATOM 0 HG LEU A 14 13.162 4.201 -5.911 1.00 10.00 H new ATOM 0 HD11 LEU A 14 13.234 6.593 -6.567 1.00 10.00 H new ATOM 0 HD12 LEU A 14 11.707 5.835 -7.080 1.00 10.00 H new ATOM 0 HD13 LEU A 14 11.740 6.889 -5.647 1.00 10.00 H new ATOM 0 HD21 LEU A 14 14.369 5.828 -4.478 1.00 10.00 H new ATOM 0 HD22 LEU A 14 12.875 6.124 -3.557 1.00 10.00 H new ATOM 0 HD23 LEU A 14 13.652 4.524 -3.501 1.00 10.00 H new ATOM 218 N LEU A 15 9.679 2.074 -4.064 1.00 10.00 N ATOM 219 CA LEU A 15 9.275 0.856 -3.304 1.00 10.00 C ATOM 220 C LEU A 15 8.524 -0.118 -4.216 1.00 10.00 C ATOM 221 O LEU A 15 8.895 -1.266 -4.347 1.00 10.00 O ATOM 222 CB LEU A 15 8.359 1.370 -2.193 1.00 10.00 C ATOM 223 CG LEU A 15 9.176 1.578 -0.918 1.00 10.00 C ATOM 224 CD1 LEU A 15 10.213 2.679 -1.148 1.00 10.00 C ATOM 225 CD2 LEU A 15 8.242 1.985 0.223 1.00 10.00 C ATOM 0 H LEU A 15 9.311 2.954 -3.701 1.00 10.00 H new ATOM 0 HA LEU A 15 10.133 0.314 -2.907 1.00 10.00 H new ATOM 0 HB2 LEU A 15 7.892 2.307 -2.496 1.00 10.00 H new ATOM 0 HB3 LEU A 15 7.555 0.657 -2.011 1.00 10.00 H new ATOM 0 HG LEU A 15 9.686 0.651 -0.658 1.00 10.00 H new ATOM 0 HD11 LEU A 15 10.795 2.826 -0.238 1.00 10.00 H new ATOM 0 HD12 LEU A 15 10.878 2.388 -1.961 1.00 10.00 H new ATOM 0 HD13 LEU A 15 9.706 3.608 -1.409 1.00 10.00 H new ATOM 0 HD21 LEU A 15 8.823 2.134 1.133 1.00 10.00 H new ATOM 0 HD22 LEU A 15 7.732 2.912 -0.038 1.00 10.00 H new ATOM 0 HD23 LEU A 15 7.505 1.199 0.388 1.00 10.00 H new ATOM 237 N GLN A 16 7.472 0.331 -4.845 1.00 10.00 N ATOM 238 CA GLN A 16 6.702 -0.575 -5.747 1.00 10.00 C ATOM 239 C GLN A 16 7.665 -1.445 -6.557 1.00 10.00 C ATOM 240 O GLN A 16 7.587 -2.658 -6.537 1.00 10.00 O ATOM 241 CB GLN A 16 5.912 0.357 -6.666 1.00 10.00 C ATOM 242 CG GLN A 16 4.458 -0.115 -6.744 1.00 10.00 C ATOM 243 CD GLN A 16 3.712 0.700 -7.803 1.00 10.00 C ATOM 244 OE1 GLN A 16 3.634 1.908 -7.712 1.00 10.00 O ATOM 245 NE2 GLN A 16 3.154 0.083 -8.810 1.00 10.00 N ATOM 0 H GLN A 16 7.113 1.283 -4.774 1.00 10.00 H new ATOM 0 HA GLN A 16 6.046 -1.251 -5.198 1.00 10.00 H new ATOM 0 HB2 GLN A 16 5.954 1.379 -6.289 1.00 10.00 H new ATOM 0 HB3 GLN A 16 6.356 0.366 -7.661 1.00 10.00 H new ATOM 0 HG2 GLN A 16 4.422 -1.175 -6.994 1.00 10.00 H new ATOM 0 HG3 GLN A 16 3.975 0.001 -5.774 1.00 10.00 H new ATOM 0 HE21 GLN A 16 3.220 -0.932 -8.886 1.00 10.00 H new ATOM 0 HE22 GLN A 16 2.652 0.616 -9.520 1.00 10.00 H new ATOM 254 N GLY A 17 8.577 -0.838 -7.266 1.00 10.00 N ATOM 255 CA GLY A 17 9.547 -1.636 -8.068 1.00 10.00 C ATOM 256 C GLY A 17 10.080 -2.783 -7.210 1.00 10.00 C ATOM 257 O GLY A 17 10.022 -3.935 -7.591 1.00 10.00 O ATOM 0 H GLY A 17 8.692 0.174 -7.325 1.00 10.00 H new ATOM 0 HA2 GLY A 17 9.063 -2.029 -8.962 1.00 10.00 H new ATOM 0 HA3 GLY A 17 10.369 -1.003 -8.403 1.00 10.00 H new ATOM 261 N TYR A 18 10.595 -2.475 -6.052 1.00 10.00 N ATOM 262 CA TYR A 18 11.128 -3.543 -5.162 1.00 10.00 C ATOM 263 C TYR A 18 10.218 -4.770 -5.202 1.00 10.00 C ATOM 264 O TYR A 18 10.621 -5.842 -5.608 1.00 10.00 O ATOM 265 CB TYR A 18 11.130 -2.925 -3.766 1.00 10.00 C ATOM 266 CG TYR A 18 12.328 -3.431 -3.005 1.00 10.00 C ATOM 267 CD1 TYR A 18 13.593 -3.398 -3.601 1.00 10.00 C ATOM 268 CD2 TYR A 18 12.176 -3.936 -1.709 1.00 10.00 C ATOM 269 CE1 TYR A 18 14.709 -3.872 -2.901 1.00 10.00 C ATOM 270 CE2 TYR A 18 13.291 -4.411 -1.008 1.00 10.00 C ATOM 271 CZ TYR A 18 14.557 -4.378 -1.604 1.00 10.00 C ATOM 272 OH TYR A 18 15.655 -4.849 -0.915 1.00 10.00 O ATOM 0 H TYR A 18 10.670 -1.527 -5.683 1.00 10.00 H new ATOM 0 HA TYR A 18 12.121 -3.876 -5.465 1.00 10.00 H new ATOM 0 HB2 TYR A 18 11.161 -1.838 -3.836 1.00 10.00 H new ATOM 0 HB3 TYR A 18 10.212 -3.185 -3.238 1.00 10.00 H new ATOM 0 HD1 TYR A 18 13.709 -3.007 -4.601 1.00 10.00 H new ATOM 0 HD2 TYR A 18 11.199 -3.959 -1.250 1.00 10.00 H new ATOM 0 HE1 TYR A 18 15.686 -3.847 -3.361 1.00 10.00 H new ATOM 0 HE2 TYR A 18 13.174 -4.803 -0.008 1.00 10.00 H new ATOM 0 HH TYR A 18 16.159 -5.466 -1.486 1.00 10.00 H new ATOM 282 N THR A 19 8.990 -4.623 -4.785 1.00 10.00 N ATOM 283 CA THR A 19 8.057 -5.784 -4.801 1.00 10.00 C ATOM 284 C THR A 19 8.096 -6.461 -6.176 1.00 10.00 C ATOM 285 O THR A 19 7.928 -7.659 -6.294 1.00 10.00 O ATOM 286 CB THR A 19 6.675 -5.183 -4.515 1.00 10.00 C ATOM 287 OG1 THR A 19 6.156 -5.750 -3.320 1.00 10.00 O ATOM 288 CG2 THR A 19 5.719 -5.474 -5.675 1.00 10.00 C ATOM 0 H THR A 19 8.594 -3.751 -4.435 1.00 10.00 H new ATOM 0 HA THR A 19 8.318 -6.548 -4.069 1.00 10.00 H new ATOM 0 HB THR A 19 6.773 -4.103 -4.402 1.00 10.00 H new ATOM 0 HG1 THR A 19 5.274 -5.367 -3.133 1.00 10.00 H new ATOM 0 HG21 THR A 19 4.742 -5.042 -5.459 1.00 10.00 H new ATOM 0 HG22 THR A 19 6.115 -5.036 -6.591 1.00 10.00 H new ATOM 0 HG23 THR A 19 5.619 -6.552 -5.802 1.00 10.00 H new ATOM 296 N VAL A 20 8.317 -5.700 -7.212 1.00 10.00 N ATOM 297 CA VAL A 20 8.368 -6.294 -8.578 1.00 10.00 C ATOM 298 C VAL A 20 9.705 -7.007 -8.797 1.00 10.00 C ATOM 299 O VAL A 20 9.822 -7.881 -9.630 1.00 10.00 O ATOM 300 CB VAL A 20 8.229 -5.107 -9.534 1.00 10.00 C ATOM 301 CG1 VAL A 20 8.156 -5.616 -10.975 1.00 10.00 C ATOM 302 CG2 VAL A 20 6.952 -4.336 -9.201 1.00 10.00 C ATOM 0 H VAL A 20 8.465 -4.692 -7.172 1.00 10.00 H new ATOM 0 HA VAL A 20 7.585 -7.036 -8.734 1.00 10.00 H new ATOM 0 HB VAL A 20 9.092 -4.450 -9.426 1.00 10.00 H new ATOM 0 HG11 VAL A 20 8.057 -4.770 -11.655 1.00 10.00 H new ATOM 0 HG12 VAL A 20 9.065 -6.168 -11.212 1.00 10.00 H new ATOM 0 HG13 VAL A 20 7.293 -6.273 -11.085 1.00 10.00 H new ATOM 0 HG21 VAL A 20 6.850 -3.490 -9.880 1.00 10.00 H new ATOM 0 HG22 VAL A 20 6.090 -4.995 -9.310 1.00 10.00 H new ATOM 0 HG23 VAL A 20 7.003 -3.973 -8.175 1.00 10.00 H new ATOM 312 N GLU A 21 10.716 -6.643 -8.056 1.00 10.00 N ATOM 313 CA GLU A 21 12.042 -7.309 -8.230 1.00 10.00 C ATOM 314 C GLU A 21 12.184 -8.444 -7.220 1.00 10.00 C ATOM 315 O GLU A 21 12.444 -9.578 -7.569 1.00 10.00 O ATOM 316 CB GLU A 21 13.096 -6.231 -7.956 1.00 10.00 C ATOM 317 CG GLU A 21 12.467 -4.848 -8.094 1.00 10.00 C ATOM 318 CD GLU A 21 13.522 -3.852 -8.577 1.00 10.00 C ATOM 319 OE1 GLU A 21 13.767 -3.810 -9.772 1.00 10.00 O ATOM 320 OE2 GLU A 21 14.066 -3.146 -7.744 1.00 10.00 O ATOM 0 H GLU A 21 10.684 -5.917 -7.340 1.00 10.00 H new ATOM 0 HA GLU A 21 12.153 -7.732 -9.228 1.00 10.00 H new ATOM 0 HB2 GLU A 21 13.506 -6.356 -6.954 1.00 10.00 H new ATOM 0 HB3 GLU A 21 13.926 -6.335 -8.655 1.00 10.00 H new ATOM 0 HG2 GLU A 21 11.636 -4.884 -8.799 1.00 10.00 H new ATOM 0 HG3 GLU A 21 12.059 -4.525 -7.136 1.00 10.00 H new ATOM 327 N VAL A 22 12.014 -8.138 -5.965 1.00 10.00 N ATOM 328 CA VAL A 22 12.135 -9.185 -4.916 1.00 10.00 C ATOM 329 C VAL A 22 11.211 -10.362 -5.238 1.00 10.00 C ATOM 330 O VAL A 22 11.485 -11.493 -4.888 1.00 10.00 O ATOM 331 CB VAL A 22 11.703 -8.495 -3.622 1.00 10.00 C ATOM 332 CG1 VAL A 22 12.138 -9.337 -2.426 1.00 10.00 C ATOM 333 CG2 VAL A 22 12.362 -7.116 -3.530 1.00 10.00 C ATOM 0 H VAL A 22 11.795 -7.203 -5.620 1.00 10.00 H new ATOM 0 HA VAL A 22 13.145 -9.588 -4.844 1.00 10.00 H new ATOM 0 HB VAL A 22 10.619 -8.384 -3.619 1.00 10.00 H new ATOM 0 HG11 VAL A 22 11.830 -8.845 -1.503 1.00 10.00 H new ATOM 0 HG12 VAL A 22 11.673 -10.321 -2.485 1.00 10.00 H new ATOM 0 HG13 VAL A 22 13.222 -9.447 -2.434 1.00 10.00 H new ATOM 0 HG21 VAL A 22 12.053 -6.626 -2.607 1.00 10.00 H new ATOM 0 HG22 VAL A 22 13.446 -7.230 -3.535 1.00 10.00 H new ATOM 0 HG23 VAL A 22 12.057 -6.509 -4.383 1.00 10.00 H new ATOM 343 N LEU A 23A 10.117 -10.105 -5.903 1.00 10.00 N ATOM 344 CA LEU A 23A 9.177 -11.211 -6.247 1.00 10.00 C ATOM 345 C LEU A 23A 9.543 -11.816 -7.606 1.00 10.00 C ATOM 346 O LEU A 23A 9.451 -13.011 -7.806 1.00 10.00 O ATOM 347 CB LEU A 23A 7.797 -10.554 -6.300 1.00 10.00 C ATOM 348 CG LEU A 23A 7.356 -10.185 -4.884 1.00 10.00 C ATOM 349 CD1 LEU A 23A 5.940 -9.607 -4.922 1.00 10.00 C ATOM 350 CD2 LEU A 23A 7.370 -11.438 -4.004 1.00 10.00 C ATOM 0 H LEU A 23A 9.834 -9.179 -6.223 1.00 10.00 H new ATOM 0 HA LEU A 23A 9.212 -12.025 -5.522 1.00 10.00 H new ATOM 0 HB2 LEU A 23A 7.830 -9.663 -6.926 1.00 10.00 H new ATOM 0 HB3 LEU A 23A 7.075 -11.234 -6.752 1.00 10.00 H new ATOM 0 HG LEU A 23A 8.040 -9.442 -4.474 1.00 10.00 H new ATOM 0 HD11 LEU A 23A 5.627 -9.344 -3.911 1.00 10.00 H new ATOM 0 HD12 LEU A 23A 5.928 -8.715 -5.549 1.00 10.00 H new ATOM 0 HD13 LEU A 23A 5.255 -10.349 -5.333 1.00 10.00 H new ATOM 0 HD21 LEU A 23A 7.056 -11.177 -2.994 1.00 10.00 H new ATOM 0 HD22 LEU A 23A 6.686 -12.180 -4.416 1.00 10.00 H new ATOM 0 HD23 LEU A 23A 8.378 -11.851 -3.975 1.00 10.00 H new ATOM 362 N ARG A 24 9.960 -11.004 -8.540 1.00 10.00 N ATOM 363 CA ARG A 24 10.333 -11.541 -9.883 1.00 10.00 C ATOM 364 C ARG A 24 11.777 -12.052 -9.865 1.00 10.00 C ATOM 365 O ARG A 24 12.513 -11.896 -10.819 1.00 10.00 O ATOM 366 CB ARG A 24 10.198 -10.356 -10.836 1.00 10.00 C ATOM 367 CG ARG A 24 8.716 -10.027 -11.025 1.00 10.00 C ATOM 368 CD ARG A 24 8.417 -9.862 -12.513 1.00 10.00 C ATOM 369 NE ARG A 24 7.693 -8.564 -12.613 1.00 10.00 N ATOM 370 CZ ARG A 24 6.605 -8.466 -13.331 1.00 10.00 C ATOM 371 NH1 ARG A 24 5.844 -9.511 -13.517 1.00 10.00 N ATOM 372 NH2 ARG A 24 6.276 -7.320 -13.858 1.00 10.00 N ATOM 0 H ARG A 24 10.059 -9.994 -8.433 1.00 10.00 H new ATOM 0 HA ARG A 24 9.702 -12.378 -10.182 1.00 10.00 H new ATOM 0 HB2 ARG A 24 10.727 -9.491 -10.436 1.00 10.00 H new ATOM 0 HB3 ARG A 24 10.655 -10.593 -11.797 1.00 10.00 H new ATOM 0 HG2 ARG A 24 8.100 -10.822 -10.605 1.00 10.00 H new ATOM 0 HG3 ARG A 24 8.464 -9.112 -10.489 1.00 10.00 H new ATOM 0 HD2 ARG A 24 9.334 -9.850 -13.102 1.00 10.00 H new ATOM 0 HD3 ARG A 24 7.808 -10.685 -12.888 1.00 10.00 H new ATOM 0 HE ARG A 24 8.049 -7.746 -12.118 1.00 10.00 H new ATOM 0 HH11 ARG A 24 6.098 -10.407 -13.101 1.00 10.00 H new ATOM 0 HH12 ARG A 24 4.996 -9.431 -14.078 1.00 10.00 H new ATOM 0 HH21 ARG A 24 6.867 -6.502 -13.710 1.00 10.00 H new ATOM 0 HH22 ARG A 24 5.428 -7.241 -14.419 1.00 10.00 H new ATOM 386 N GLN A 25 12.185 -12.664 -8.787 1.00 10.00 N ATOM 387 CA GLN A 25 13.578 -13.188 -8.704 1.00 10.00 C ATOM 388 C GLN A 25 13.822 -13.798 -7.319 1.00 10.00 C ATOM 389 O GLN A 25 14.611 -14.708 -7.158 1.00 10.00 O ATOM 390 CB GLN A 25 14.477 -11.967 -8.966 1.00 10.00 C ATOM 391 CG GLN A 25 15.203 -11.524 -7.687 1.00 10.00 C ATOM 392 CD GLN A 25 16.703 -11.780 -7.841 1.00 10.00 C ATOM 393 OE1 GLN A 25 17.289 -12.655 -7.070 1.00 10.00 O flip ATOM 394 NE2 GLN A 25 17.352 -11.174 -8.672 1.00 10.00 N flip ATOM 0 H GLN A 25 11.612 -12.824 -7.958 1.00 10.00 H new ATOM 0 HA GLN A 25 13.781 -13.981 -9.423 1.00 10.00 H new ATOM 0 HB2 GLN A 25 15.209 -12.210 -9.736 1.00 10.00 H new ATOM 0 HB3 GLN A 25 13.874 -11.144 -9.348 1.00 10.00 H new ATOM 0 HG2 GLN A 25 15.021 -10.466 -7.500 1.00 10.00 H new ATOM 0 HG3 GLN A 25 14.816 -12.071 -6.827 1.00 10.00 H new ATOM 0 HE21 GLN A 25 16.896 -10.490 -9.276 1.00 10.00 H new ATOM 0 HE22 GLN A 25 18.352 -11.350 -8.765 1.00 10.00 H new ATOM 403 N GLN A 26 13.139 -13.305 -6.319 1.00 10.00 N ATOM 404 CA GLN A 26 13.315 -13.853 -4.943 1.00 10.00 C ATOM 405 C GLN A 26 14.791 -14.151 -4.667 1.00 10.00 C ATOM 406 O GLN A 26 15.248 -15.260 -4.867 1.00 10.00 O ATOM 407 CB GLN A 26 12.498 -15.146 -4.926 1.00 10.00 C ATOM 408 CG GLN A 26 11.281 -14.971 -4.016 1.00 10.00 C ATOM 409 CD GLN A 26 11.655 -15.357 -2.583 1.00 10.00 C ATOM 410 OE1 GLN A 26 12.153 -14.543 -1.833 1.00 10.00 O ATOM 411 NE2 GLN A 26 11.435 -16.575 -2.170 1.00 10.00 N ATOM 0 H GLN A 26 12.465 -12.544 -6.397 1.00 10.00 H new ATOM 0 HA GLN A 26 12.988 -13.149 -4.178 1.00 10.00 H new ATOM 0 HB2 GLN A 26 12.176 -15.398 -5.936 1.00 10.00 H new ATOM 0 HB3 GLN A 26 13.114 -15.973 -4.572 1.00 10.00 H new ATOM 0 HG2 GLN A 26 10.936 -13.938 -4.047 1.00 10.00 H new ATOM 0 HG3 GLN A 26 10.458 -15.593 -4.368 1.00 10.00 H new ATOM 0 HE21 GLN A 26 11.016 -17.259 -2.800 1.00 10.00 H new ATOM 0 HE22 GLN A 26 11.682 -16.843 -1.217 1.00 10.00 H new ATOM 420 N PRO A 27 15.490 -13.149 -4.209 1.00 10.00 N ATOM 421 CA PRO A 27 16.929 -13.307 -3.895 1.00 10.00 C ATOM 422 C PRO A 27 17.109 -14.160 -2.635 1.00 10.00 C ATOM 423 O PRO A 27 16.171 -14.375 -1.894 1.00 10.00 O ATOM 424 CB PRO A 27 17.404 -11.876 -3.653 1.00 10.00 C ATOM 425 CG PRO A 27 16.176 -11.130 -3.246 1.00 10.00 C ATOM 426 CD PRO A 27 15.016 -11.787 -3.944 1.00 10.00 C ATOM 0 HA PRO A 27 17.487 -13.808 -4.686 1.00 10.00 H new ATOM 0 HB2 PRO A 27 18.166 -11.838 -2.874 1.00 10.00 H new ATOM 0 HB3 PRO A 27 17.846 -11.449 -4.553 1.00 10.00 H new ATOM 0 HG2 PRO A 27 16.045 -11.162 -2.164 1.00 10.00 H new ATOM 0 HG3 PRO A 27 16.251 -10.079 -3.527 1.00 10.00 H new ATOM 0 HD2 PRO A 27 14.123 -11.789 -3.319 1.00 10.00 H new ATOM 0 HD3 PRO A 27 14.758 -11.267 -4.867 1.00 10.00 H new ATOM 434 N PRO A 28 18.316 -14.614 -2.433 1.00 10.00 N ATOM 435 CA PRO A 28 18.628 -15.446 -1.246 1.00 10.00 C ATOM 436 C PRO A 28 18.546 -14.598 0.025 1.00 10.00 C ATOM 437 O PRO A 28 18.349 -15.103 1.112 1.00 10.00 O ATOM 438 CB PRO A 28 20.058 -15.918 -1.503 1.00 10.00 C ATOM 439 CG PRO A 28 20.633 -14.894 -2.426 1.00 10.00 C ATOM 440 CD PRO A 28 19.494 -14.398 -3.276 1.00 10.00 C ATOM 0 HA PRO A 28 17.936 -16.276 -1.104 1.00 10.00 H new ATOM 0 HB2 PRO A 28 20.628 -15.980 -0.576 1.00 10.00 H new ATOM 0 HB3 PRO A 28 20.073 -16.910 -1.953 1.00 10.00 H new ATOM 0 HG2 PRO A 28 21.084 -14.075 -1.865 1.00 10.00 H new ATOM 0 HG3 PRO A 28 21.419 -15.327 -3.045 1.00 10.00 H new ATOM 0 HD2 PRO A 28 19.615 -13.346 -3.534 1.00 10.00 H new ATOM 0 HD3 PRO A 28 19.423 -14.950 -4.213 1.00 10.00 H new ATOM 448 N ASP A 29 18.689 -13.308 -0.111 1.00 10.00 N ATOM 449 CA ASP A 29 18.616 -12.413 1.079 1.00 10.00 C ATOM 450 C ASP A 29 18.100 -11.035 0.656 1.00 10.00 C ATOM 451 O ASP A 29 18.708 -10.353 -0.143 1.00 10.00 O ATOM 452 CB ASP A 29 20.053 -12.316 1.593 1.00 10.00 C ATOM 453 CG ASP A 29 20.585 -13.721 1.887 1.00 10.00 C ATOM 454 OD1 ASP A 29 20.019 -14.380 2.744 1.00 10.00 O ATOM 455 OD2 ASP A 29 21.551 -14.112 1.253 1.00 10.00 O ATOM 0 H ASP A 29 18.854 -12.833 -0.999 1.00 10.00 H new ATOM 0 HA ASP A 29 17.939 -12.790 1.846 1.00 10.00 H new ATOM 0 HB2 ASP A 29 20.683 -11.824 0.852 1.00 10.00 H new ATOM 0 HB3 ASP A 29 20.087 -11.706 2.496 1.00 10.00 H new ATOM 460 N LEU A 30 16.978 -10.624 1.178 1.00 10.00 N ATOM 461 CA LEU A 30 16.424 -9.293 0.796 1.00 10.00 C ATOM 462 C LEU A 30 17.349 -8.171 1.272 1.00 10.00 C ATOM 463 O LEU A 30 17.880 -7.417 0.483 1.00 10.00 O ATOM 464 CB LEU A 30 15.075 -9.208 1.508 1.00 10.00 C ATOM 465 CG LEU A 30 13.999 -8.747 0.522 1.00 10.00 C ATOM 466 CD1 LEU A 30 12.765 -8.291 1.301 1.00 10.00 C ATOM 467 CD2 LEU A 30 14.530 -7.579 -0.312 1.00 10.00 C ATOM 0 H LEU A 30 16.421 -11.150 1.851 1.00 10.00 H new ATOM 0 HA LEU A 30 16.327 -9.185 -0.284 1.00 10.00 H new ATOM 0 HB2 LEU A 30 14.810 -10.181 1.922 1.00 10.00 H new ATOM 0 HB3 LEU A 30 15.138 -8.512 2.344 1.00 10.00 H new ATOM 0 HG LEU A 30 13.735 -9.573 -0.139 1.00 10.00 H new ATOM 0 HD11 LEU A 30 11.995 -7.962 0.603 1.00 10.00 H new ATOM 0 HD12 LEU A 30 12.384 -9.120 1.897 1.00 10.00 H new ATOM 0 HD13 LEU A 30 13.035 -7.465 1.960 1.00 10.00 H new ATOM 0 HD21 LEU A 30 13.761 -7.253 -1.013 1.00 10.00 H new ATOM 0 HD22 LEU A 30 14.794 -6.752 0.347 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.413 -7.899 -0.865 1.00 10.00 H new ATOM 479 N VAL A 31 17.540 -8.058 2.559 1.00 10.00 N ATOM 480 CA VAL A 31 18.430 -6.986 3.098 1.00 10.00 C ATOM 481 C VAL A 31 19.575 -6.711 2.127 1.00 10.00 C ATOM 482 O VAL A 31 19.663 -5.656 1.531 1.00 10.00 O ATOM 483 CB VAL A 31 18.977 -7.552 4.407 1.00 10.00 C ATOM 484 CG1 VAL A 31 19.698 -6.446 5.182 1.00 10.00 C ATOM 485 CG2 VAL A 31 17.819 -8.092 5.251 1.00 10.00 C ATOM 0 H VAL A 31 17.117 -8.663 3.263 1.00 10.00 H new ATOM 0 HA VAL A 31 17.899 -6.045 3.243 1.00 10.00 H new ATOM 0 HB VAL A 31 19.677 -8.358 4.189 1.00 10.00 H new ATOM 0 HG11 VAL A 31 20.088 -6.851 6.116 1.00 10.00 H new ATOM 0 HG12 VAL A 31 20.522 -6.059 4.582 1.00 10.00 H new ATOM 0 HG13 VAL A 31 18.998 -5.639 5.400 1.00 10.00 H new ATOM 0 HG21 VAL A 31 18.208 -8.496 6.186 1.00 10.00 H new ATOM 0 HG22 VAL A 31 17.120 -7.285 5.468 1.00 10.00 H new ATOM 0 HG23 VAL A 31 17.304 -8.880 4.701 1.00 10.00 H new ATOM 495 N ASP A 32 20.451 -7.660 1.964 1.00 10.00 N ATOM 496 CA ASP A 32 21.595 -7.472 1.032 1.00 10.00 C ATOM 497 C ASP A 32 21.081 -7.052 -0.348 1.00 10.00 C ATOM 498 O ASP A 32 21.685 -6.245 -1.028 1.00 10.00 O ATOM 499 CB ASP A 32 22.272 -8.844 0.989 1.00 10.00 C ATOM 500 CG ASP A 32 22.033 -9.514 -0.368 1.00 10.00 C ATOM 501 OD1 ASP A 32 20.892 -9.830 -0.657 1.00 10.00 O ATOM 502 OD2 ASP A 32 22.997 -9.698 -1.092 1.00 10.00 O ATOM 0 H ASP A 32 20.424 -8.562 2.439 1.00 10.00 H new ATOM 0 HA ASP A 32 22.286 -6.691 1.348 1.00 10.00 H new ATOM 0 HB2 ASP A 32 23.342 -8.734 1.164 1.00 10.00 H new ATOM 0 HB3 ASP A 32 21.881 -9.475 1.787 1.00 10.00 H new ATOM 507 N PHE A 33 19.964 -7.584 -0.762 1.00 10.00 N ATOM 508 CA PHE A 33 19.408 -7.206 -2.091 1.00 10.00 C ATOM 509 C PHE A 33 18.973 -5.739 -2.070 1.00 10.00 C ATOM 510 O PHE A 33 19.106 -5.028 -3.046 1.00 10.00 O ATOM 511 CB PHE A 33 18.203 -8.125 -2.294 1.00 10.00 C ATOM 512 CG PHE A 33 17.513 -7.775 -3.591 1.00 10.00 C ATOM 513 CD1 PHE A 33 18.047 -8.213 -4.809 1.00 10.00 C ATOM 514 CD2 PHE A 33 16.339 -7.012 -3.575 1.00 10.00 C ATOM 515 CE1 PHE A 33 17.407 -7.891 -6.012 1.00 10.00 C ATOM 516 CE2 PHE A 33 15.699 -6.688 -4.778 1.00 10.00 C ATOM 517 CZ PHE A 33 16.234 -7.127 -5.997 1.00 10.00 C ATOM 0 H PHE A 33 19.413 -8.264 -0.238 1.00 10.00 H new ATOM 0 HA PHE A 33 20.135 -7.314 -2.896 1.00 10.00 H new ATOM 0 HB2 PHE A 33 18.525 -9.166 -2.311 1.00 10.00 H new ATOM 0 HB3 PHE A 33 17.508 -8.020 -1.461 1.00 10.00 H new ATOM 0 HD1 PHE A 33 18.954 -8.800 -4.821 1.00 10.00 H new ATOM 0 HD2 PHE A 33 15.927 -6.674 -2.636 1.00 10.00 H new ATOM 0 HE1 PHE A 33 17.818 -8.232 -6.951 1.00 10.00 H new ATOM 0 HE2 PHE A 33 14.793 -6.100 -4.766 1.00 10.00 H new ATOM 0 HZ PHE A 33 15.741 -6.876 -6.925 1.00 10.00 H new ATOM 527 N ALA A 34 18.459 -5.283 -0.961 1.00 10.00 N ATOM 528 CA ALA A 34 18.023 -3.860 -0.872 1.00 10.00 C ATOM 529 C ALA A 34 19.229 -2.931 -1.033 1.00 10.00 C ATOM 530 O ALA A 34 19.125 -1.855 -1.587 1.00 10.00 O ATOM 531 CB ALA A 34 17.416 -3.718 0.525 1.00 10.00 C ATOM 0 H ALA A 34 18.322 -5.833 -0.113 1.00 10.00 H new ATOM 0 HA ALA A 34 17.310 -3.594 -1.653 1.00 10.00 H new ATOM 0 HB1 ALA A 34 17.070 -2.694 0.669 1.00 10.00 H new ATOM 0 HB2 ALA A 34 16.575 -4.403 0.628 1.00 10.00 H new ATOM 0 HB3 ALA A 34 18.170 -3.955 1.275 1.00 10.00 H new ATOM 537 N VAL A 35 20.374 -3.343 -0.559 1.00 10.00 N ATOM 538 CA VAL A 35 21.584 -2.500 -0.685 1.00 10.00 C ATOM 539 C VAL A 35 22.120 -2.576 -2.115 1.00 10.00 C ATOM 540 O VAL A 35 22.509 -1.585 -2.698 1.00 10.00 O ATOM 541 CB VAL A 35 22.565 -3.123 0.306 1.00 10.00 C ATOM 542 CG1 VAL A 35 23.986 -2.692 -0.027 1.00 10.00 C ATOM 543 CG2 VAL A 35 22.215 -2.663 1.718 1.00 10.00 C ATOM 0 H VAL A 35 20.518 -4.236 -0.087 1.00 10.00 H new ATOM 0 HA VAL A 35 21.404 -1.445 -0.478 1.00 10.00 H new ATOM 0 HB VAL A 35 22.497 -4.209 0.243 1.00 10.00 H new ATOM 0 HG11 VAL A 35 24.679 -3.141 0.685 1.00 10.00 H new ATOM 0 HG12 VAL A 35 24.239 -3.020 -1.035 1.00 10.00 H new ATOM 0 HG13 VAL A 35 24.060 -1.606 0.031 1.00 10.00 H new ATOM 0 HG21 VAL A 35 22.913 -3.106 2.428 1.00 10.00 H new ATOM 0 HG22 VAL A 35 22.281 -1.576 1.774 1.00 10.00 H new ATOM 0 HG23 VAL A 35 21.200 -2.978 1.962 1.00 10.00 H new ATOM 553 N GLU A 36 22.144 -3.751 -2.683 1.00 10.00 N ATOM 554 CA GLU A 36 22.656 -3.902 -4.074 1.00 10.00 C ATOM 555 C GLU A 36 21.757 -3.153 -5.062 1.00 10.00 C ATOM 556 O GLU A 36 22.225 -2.569 -6.016 1.00 10.00 O ATOM 557 CB GLU A 36 22.612 -5.405 -4.349 1.00 10.00 C ATOM 558 CG GLU A 36 23.665 -6.111 -3.492 1.00 10.00 C ATOM 559 CD GLU A 36 24.387 -7.162 -4.335 1.00 10.00 C ATOM 560 OE1 GLU A 36 23.998 -7.348 -5.476 1.00 10.00 O ATOM 561 OE2 GLU A 36 25.317 -7.766 -3.825 1.00 10.00 O ATOM 0 H GLU A 36 21.830 -4.615 -2.242 1.00 10.00 H new ATOM 0 HA GLU A 36 23.659 -3.491 -4.188 1.00 10.00 H new ATOM 0 HB2 GLU A 36 21.621 -5.798 -4.123 1.00 10.00 H new ATOM 0 HB3 GLU A 36 22.798 -5.598 -5.405 1.00 10.00 H new ATOM 0 HG2 GLU A 36 24.381 -5.385 -3.105 1.00 10.00 H new ATOM 0 HG3 GLU A 36 23.192 -6.583 -2.631 1.00 10.00 H new ATOM 568 N TYR A 37 20.469 -3.172 -4.850 1.00 10.00 N ATOM 569 CA TYR A 37 19.550 -2.467 -5.791 1.00 10.00 C ATOM 570 C TYR A 37 19.785 -0.953 -5.748 1.00 10.00 C ATOM 571 O TYR A 37 20.125 -0.342 -6.741 1.00 10.00 O ATOM 572 CB TYR A 37 18.142 -2.800 -5.299 1.00 10.00 C ATOM 573 CG TYR A 37 17.138 -1.960 -6.054 1.00 10.00 C ATOM 574 CD1 TYR A 37 17.319 -1.716 -7.420 1.00 10.00 C ATOM 575 CD2 TYR A 37 16.029 -1.425 -5.387 1.00 10.00 C ATOM 576 CE1 TYR A 37 16.391 -0.935 -8.121 1.00 10.00 C ATOM 577 CE2 TYR A 37 15.100 -0.644 -6.088 1.00 10.00 C ATOM 578 CZ TYR A 37 15.281 -0.401 -7.455 1.00 10.00 C ATOM 579 OH TYR A 37 14.367 0.368 -8.145 1.00 10.00 O ATOM 0 H TYR A 37 20.014 -3.644 -4.069 1.00 10.00 H new ATOM 0 HA TYR A 37 19.710 -2.780 -6.823 1.00 10.00 H new ATOM 0 HB2 TYR A 37 17.933 -3.859 -5.449 1.00 10.00 H new ATOM 0 HB3 TYR A 37 18.063 -2.608 -4.229 1.00 10.00 H new ATOM 0 HD1 TYR A 37 18.174 -2.130 -7.934 1.00 10.00 H new ATOM 0 HD2 TYR A 37 15.890 -1.614 -4.333 1.00 10.00 H new ATOM 0 HE1 TYR A 37 16.532 -0.745 -9.175 1.00 10.00 H new ATOM 0 HE2 TYR A 37 14.245 -0.230 -5.574 1.00 10.00 H new ATOM 0 HH TYR A 37 13.657 0.659 -7.535 1.00 10.00 H new ATOM 589 N PHE A 38 19.592 -0.343 -4.611 1.00 10.00 N ATOM 590 CA PHE A 38 19.791 1.133 -4.516 1.00 10.00 C ATOM 591 C PHE A 38 21.261 1.503 -4.749 1.00 10.00 C ATOM 592 O PHE A 38 21.579 2.263 -5.642 1.00 10.00 O ATOM 593 CB PHE A 38 19.360 1.501 -3.096 1.00 10.00 C ATOM 594 CG PHE A 38 17.854 1.452 -2.998 1.00 10.00 C ATOM 595 CD1 PHE A 38 17.071 2.275 -3.819 1.00 10.00 C ATOM 596 CD2 PHE A 38 17.239 0.586 -2.086 1.00 10.00 C ATOM 597 CE1 PHE A 38 15.675 2.232 -3.727 1.00 10.00 C ATOM 598 CE2 PHE A 38 15.841 0.543 -1.993 1.00 10.00 C ATOM 599 CZ PHE A 38 15.059 1.366 -2.814 1.00 10.00 C ATOM 0 H PHE A 38 19.306 -0.800 -3.745 1.00 10.00 H new ATOM 0 HA PHE A 38 19.216 1.670 -5.271 1.00 10.00 H new ATOM 0 HB2 PHE A 38 19.804 0.810 -2.379 1.00 10.00 H new ATOM 0 HB3 PHE A 38 19.719 2.498 -2.842 1.00 10.00 H new ATOM 0 HD1 PHE A 38 17.545 2.943 -4.523 1.00 10.00 H new ATOM 0 HD2 PHE A 38 17.842 -0.049 -1.454 1.00 10.00 H new ATOM 0 HE1 PHE A 38 15.072 2.867 -4.360 1.00 10.00 H new ATOM 0 HE2 PHE A 38 15.367 -0.124 -1.289 1.00 10.00 H new ATOM 0 HZ PHE A 38 13.982 1.333 -2.743 1.00 10.00 H new ATOM 609 N THR A 39 22.159 0.982 -3.955 1.00 10.00 N ATOM 610 CA THR A 39 23.601 1.323 -4.147 1.00 10.00 C ATOM 611 C THR A 39 23.942 1.354 -5.639 1.00 10.00 C ATOM 612 O THR A 39 24.657 2.218 -6.105 1.00 10.00 O ATOM 613 CB THR A 39 24.381 0.213 -3.440 1.00 10.00 C ATOM 614 OG1 THR A 39 24.274 0.376 -2.033 1.00 10.00 O ATOM 615 CG2 THR A 39 25.853 0.279 -3.851 1.00 10.00 C ATOM 0 H THR A 39 21.960 0.340 -3.188 1.00 10.00 H new ATOM 0 HA THR A 39 23.846 2.305 -3.743 1.00 10.00 H new ATOM 0 HB THR A 39 23.968 -0.755 -3.724 1.00 10.00 H new ATOM 0 HG1 THR A 39 23.605 -0.248 -1.681 1.00 10.00 H new ATOM 0 HG21 THR A 39 26.407 -0.512 -3.347 1.00 10.00 H new ATOM 0 HG22 THR A 39 25.936 0.149 -4.930 1.00 10.00 H new ATOM 0 HG23 THR A 39 26.266 1.248 -3.570 1.00 10.00 H new ATOM 623 N ARG A 40 23.433 0.419 -6.396 1.00 10.00 N ATOM 624 CA ARG A 40 23.727 0.405 -7.858 1.00 10.00 C ATOM 625 C ARG A 40 23.019 1.576 -8.542 1.00 10.00 C ATOM 626 O ARG A 40 23.584 2.253 -9.376 1.00 10.00 O ATOM 627 CB ARG A 40 23.176 -0.926 -8.368 1.00 10.00 C ATOM 628 CG ARG A 40 24.330 -1.798 -8.870 1.00 10.00 C ATOM 629 CD ARG A 40 24.160 -3.226 -8.345 1.00 10.00 C ATOM 630 NE ARG A 40 23.573 -3.988 -9.482 1.00 10.00 N ATOM 631 CZ ARG A 40 24.280 -4.204 -10.558 1.00 10.00 C ATOM 632 NH1 ARG A 40 25.577 -4.330 -10.471 1.00 10.00 N ATOM 633 NH2 ARG A 40 23.692 -4.295 -11.719 1.00 10.00 N ATOM 0 H ARG A 40 22.828 -0.333 -6.066 1.00 10.00 H new ATOM 0 HA ARG A 40 24.792 0.505 -8.066 1.00 10.00 H new ATOM 0 HB2 ARG A 40 22.639 -1.439 -7.570 1.00 10.00 H new ATOM 0 HB3 ARG A 40 22.461 -0.752 -9.172 1.00 10.00 H new ATOM 0 HG2 ARG A 40 24.350 -1.800 -9.960 1.00 10.00 H new ATOM 0 HG3 ARG A 40 25.282 -1.387 -8.535 1.00 10.00 H new ATOM 0 HD2 ARG A 40 25.116 -3.650 -8.038 1.00 10.00 H new ATOM 0 HD3 ARG A 40 23.506 -3.251 -7.474 1.00 10.00 H new ATOM 0 HE ARG A 40 22.618 -4.341 -9.420 1.00 10.00 H new ATOM 0 HH11 ARG A 40 26.036 -4.260 -9.563 1.00 10.00 H new ATOM 0 HH12 ARG A 40 26.130 -4.499 -11.311 1.00 10.00 H new ATOM 0 HH21 ARG A 40 22.679 -4.197 -11.787 1.00 10.00 H new ATOM 0 HH22 ARG A 40 24.245 -4.464 -12.559 1.00 10.00 H new ATOM 647 N LEU A 41 21.785 1.822 -8.191 1.00 10.00 N ATOM 648 CA LEU A 41 21.048 2.954 -8.821 1.00 10.00 C ATOM 649 C LEU A 41 21.948 4.189 -8.877 1.00 10.00 C ATOM 650 O LEU A 41 21.942 4.930 -9.838 1.00 10.00 O ATOM 651 CB LEU A 41 19.841 3.204 -7.916 1.00 10.00 C ATOM 652 CG LEU A 41 18.635 2.429 -8.449 1.00 10.00 C ATOM 653 CD1 LEU A 41 17.475 2.543 -7.458 1.00 10.00 C ATOM 654 CD2 LEU A 41 18.211 3.013 -9.799 1.00 10.00 C ATOM 0 H LEU A 41 21.258 1.290 -7.498 1.00 10.00 H new ATOM 0 HA LEU A 41 20.741 2.733 -9.843 1.00 10.00 H new ATOM 0 HB2 LEU A 41 20.066 2.891 -6.897 1.00 10.00 H new ATOM 0 HB3 LEU A 41 19.615 4.270 -7.880 1.00 10.00 H new ATOM 0 HG LEU A 41 18.904 1.380 -8.574 1.00 10.00 H new ATOM 0 HD11 LEU A 41 16.616 1.991 -7.838 1.00 10.00 H new ATOM 0 HD12 LEU A 41 17.776 2.128 -6.496 1.00 10.00 H new ATOM 0 HD13 LEU A 41 17.205 3.592 -7.333 1.00 10.00 H new ATOM 0 HD21 LEU A 41 17.351 2.462 -10.180 1.00 10.00 H new ATOM 0 HD22 LEU A 41 17.943 4.062 -9.673 1.00 10.00 H new ATOM 0 HD23 LEU A 41 19.037 2.932 -10.506 1.00 10.00 H new ATOM 666 N ARG A 42 22.730 4.410 -7.856 1.00 10.00 N ATOM 667 CA ARG A 42 23.635 5.591 -7.858 1.00 10.00 C ATOM 668 C ARG A 42 24.591 5.506 -9.049 1.00 10.00 C ATOM 669 O ARG A 42 24.989 6.505 -9.614 1.00 10.00 O ATOM 670 CB ARG A 42 24.409 5.497 -6.545 1.00 10.00 C ATOM 671 CG ARG A 42 24.026 6.672 -5.648 1.00 10.00 C ATOM 672 CD ARG A 42 23.334 6.150 -4.388 1.00 10.00 C ATOM 673 NE ARG A 42 23.320 7.307 -3.452 1.00 10.00 N ATOM 674 CZ ARG A 42 24.444 7.801 -3.011 1.00 10.00 C ATOM 675 NH1 ARG A 42 25.056 8.734 -3.687 1.00 10.00 N ATOM 676 NH2 ARG A 42 24.957 7.361 -1.895 1.00 10.00 N ATOM 0 H ARG A 42 22.781 3.824 -7.022 1.00 10.00 H new ATOM 0 HA ARG A 42 23.093 6.533 -7.943 1.00 10.00 H new ATOM 0 HB2 ARG A 42 24.186 4.555 -6.045 1.00 10.00 H new ATOM 0 HB3 ARG A 42 25.481 5.508 -6.740 1.00 10.00 H new ATOM 0 HG2 ARG A 42 24.915 7.241 -5.378 1.00 10.00 H new ATOM 0 HG3 ARG A 42 23.363 7.351 -6.184 1.00 10.00 H new ATOM 0 HD2 ARG A 42 22.323 5.806 -4.606 1.00 10.00 H new ATOM 0 HD3 ARG A 42 23.874 5.304 -3.962 1.00 10.00 H new ATOM 0 HE ARG A 42 22.433 7.713 -3.156 1.00 10.00 H new ATOM 0 HH11 ARG A 42 24.656 9.077 -4.560 1.00 10.00 H new ATOM 0 HH12 ARG A 42 25.935 9.120 -3.342 1.00 10.00 H new ATOM 0 HH21 ARG A 42 24.479 6.631 -1.367 1.00 10.00 H new ATOM 0 HH22 ARG A 42 25.836 7.747 -1.550 1.00 10.00 H new ATOM 690 N GLU A 43 24.959 4.315 -9.434 1.00 10.00 N ATOM 691 CA GLU A 43 25.887 4.157 -10.590 1.00 10.00 C ATOM 692 C GLU A 43 25.095 3.853 -11.865 1.00 10.00 C ATOM 693 O GLU A 43 25.659 3.529 -12.891 1.00 10.00 O ATOM 694 CB GLU A 43 26.785 2.975 -10.223 1.00 10.00 C ATOM 695 CG GLU A 43 27.506 3.265 -8.905 1.00 10.00 C ATOM 696 CD GLU A 43 28.829 2.500 -8.868 1.00 10.00 C ATOM 697 OE1 GLU A 43 29.501 2.468 -9.887 1.00 10.00 O ATOM 698 OE2 GLU A 43 29.149 1.957 -7.823 1.00 10.00 O ATOM 0 H GLU A 43 24.657 3.444 -8.998 1.00 10.00 H new ATOM 0 HA GLU A 43 26.464 5.062 -10.781 1.00 10.00 H new ATOM 0 HB2 GLU A 43 26.188 2.068 -10.130 1.00 10.00 H new ATOM 0 HB3 GLU A 43 27.512 2.799 -11.015 1.00 10.00 H new ATOM 0 HG2 GLU A 43 27.690 4.335 -8.806 1.00 10.00 H new ATOM 0 HG3 GLU A 43 26.880 2.970 -8.063 1.00 10.00 H new ATOM 705 N ALA A 44 23.792 3.954 -11.807 1.00 10.00 N ATOM 706 CA ALA A 44 22.964 3.672 -13.018 1.00 10.00 C ATOM 707 C ALA A 44 23.674 4.169 -14.268 1.00 10.00 C ATOM 708 O ALA A 44 24.179 3.400 -15.062 1.00 10.00 O ATOM 709 CB ALA A 44 21.681 4.479 -12.827 1.00 10.00 C ATOM 0 H ALA A 44 23.266 4.219 -10.974 1.00 10.00 H new ATOM 0 HA ALA A 44 22.779 2.604 -13.134 1.00 10.00 H new ATOM 0 HB1 ALA A 44 21.022 4.321 -13.680 1.00 10.00 H new ATOM 0 HB2 ALA A 44 21.179 4.154 -11.916 1.00 10.00 H new ATOM 0 HB3 ALA A 44 21.926 5.538 -12.749 1.00 10.00 H new ATOM 715 N ARG A 45 23.695 5.463 -14.438 1.00 10.00 N ATOM 716 CA ARG A 45 24.344 6.081 -15.626 1.00 10.00 C ATOM 717 C ARG A 45 24.842 5.014 -16.606 1.00 10.00 C ATOM 718 O ARG A 45 25.850 4.375 -16.383 1.00 10.00 O ATOM 719 CB ARG A 45 25.516 6.884 -15.060 1.00 10.00 C ATOM 720 CG ARG A 45 26.458 7.293 -16.194 1.00 10.00 C ATOM 721 CD ARG A 45 26.447 8.815 -16.344 1.00 10.00 C ATOM 722 NE ARG A 45 27.680 9.278 -15.650 1.00 10.00 N ATOM 723 CZ ARG A 45 28.817 9.309 -16.290 1.00 10.00 C ATOM 724 NH1 ARG A 45 28.891 9.877 -17.463 1.00 10.00 N ATOM 725 NH2 ARG A 45 29.881 8.773 -15.757 1.00 10.00 N ATOM 0 H ARG A 45 23.280 6.131 -13.788 1.00 10.00 H new ATOM 0 HA ARG A 45 23.648 6.704 -16.188 1.00 10.00 H new ATOM 0 HB2 ARG A 45 25.146 7.770 -14.544 1.00 10.00 H new ATOM 0 HB3 ARG A 45 26.055 6.288 -14.324 1.00 10.00 H new ATOM 0 HG2 ARG A 45 27.469 6.945 -15.984 1.00 10.00 H new ATOM 0 HG3 ARG A 45 26.147 6.823 -17.127 1.00 10.00 H new ATOM 0 HD2 ARG A 45 26.451 9.108 -17.394 1.00 10.00 H new ATOM 0 HD3 ARG A 45 25.554 9.250 -15.895 1.00 10.00 H new ATOM 0 HE ARG A 45 27.636 9.571 -14.674 1.00 10.00 H new ATOM 0 HH11 ARG A 45 28.060 10.297 -17.880 1.00 10.00 H new ATOM 0 HH12 ARG A 45 29.780 9.901 -17.963 1.00 10.00 H new ATOM 0 HH21 ARG A 45 29.824 8.330 -14.840 1.00 10.00 H new ATOM 0 HH22 ARG A 45 30.770 8.797 -16.257 1.00 10.00 H new ATOM 739 N ARG A 46 24.143 4.817 -17.689 1.00 10.00 N ATOM 740 CA ARG A 46 24.578 3.791 -18.678 1.00 10.00 C ATOM 741 C ARG A 46 24.949 2.491 -17.958 1.00 10.00 C ATOM 742 O ARG A 46 24.154 2.038 -17.152 1.00 10.00 O ATOM 743 CB ARG A 46 25.805 4.395 -19.361 1.00 10.00 C ATOM 744 CG ARG A 46 26.041 3.690 -20.697 1.00 10.00 C ATOM 745 CD ARG A 46 24.907 4.038 -21.665 1.00 10.00 C ATOM 746 NE ARG A 46 24.906 5.525 -21.737 1.00 10.00 N ATOM 747 CZ ARG A 46 24.013 6.212 -21.077 1.00 10.00 C ATOM 748 NH1 ARG A 46 22.776 5.800 -21.026 1.00 10.00 N ATOM 749 NH2 ARG A 46 24.359 7.313 -20.467 1.00 10.00 N ATOM 750 OXT ARG A 46 26.020 1.974 -18.226 1.00 10.00 O ATOM 0 H ARG A 46 23.290 5.321 -17.932 1.00 10.00 H new ATOM 0 HA ARG A 46 23.793 3.546 -19.394 1.00 10.00 H new ATOM 0 HB2 ARG A 46 25.657 5.463 -19.522 1.00 10.00 H new ATOM 0 HB3 ARG A 46 26.681 4.288 -18.721 1.00 10.00 H new ATOM 0 HG2 ARG A 46 26.999 3.996 -21.117 1.00 10.00 H new ATOM 0 HG3 ARG A 46 26.088 2.611 -20.548 1.00 10.00 H new ATOM 0 HD2 ARG A 46 25.076 3.595 -22.647 1.00 10.00 H new ATOM 0 HD3 ARG A 46 23.950 3.659 -21.305 1.00 10.00 H new ATOM 0 HE ARG A 46 25.604 6.008 -22.303 1.00 10.00 H new ATOM 0 HH11 ARG A 46 22.505 4.940 -21.502 1.00 10.00 H new ATOM 0 HH12 ARG A 46 22.080 6.338 -20.510 1.00 10.00 H new ATOM 0 HH21 ARG A 46 25.326 7.636 -20.506 1.00 10.00 H new ATOM 0 HH22 ARG A 46 23.663 7.851 -19.951 1.00 10.00 H new TER 764 ARG A 46 ATOM 765 N HIS B 1 -4.103 -5.675 -7.878 1.00 10.00 N ATOM 766 CA HIS B 1 -4.080 -6.921 -8.699 1.00 10.00 C ATOM 767 C HIS B 1 -5.465 -7.185 -9.295 1.00 10.00 C ATOM 768 O HIS B 1 -5.619 -7.332 -10.491 1.00 10.00 O ATOM 769 CB HIS B 1 -3.693 -8.033 -7.724 1.00 10.00 C ATOM 770 CG HIS B 1 -2.539 -7.577 -6.871 1.00 10.00 C ATOM 771 ND1 HIS B 1 -2.653 -7.418 -5.499 1.00 10.00 N ATOM 772 CD2 HIS B 1 -1.244 -7.244 -7.182 1.00 10.00 C ATOM 773 CE1 HIS B 1 -1.457 -7.006 -5.039 1.00 10.00 C ATOM 774 NE2 HIS B 1 -0.563 -6.884 -6.023 1.00 10.00 N ATOM 0 H1 HIS B 1 -3.146 -5.272 -7.832 1.00 10.00 H new ATOM 0 H2 HIS B 1 -4.749 -4.985 -8.312 1.00 10.00 H new ATOM 0 H3 HIS B 1 -4.431 -5.899 -6.917 1.00 10.00 H new ATOM 0 HA HIS B 1 -3.383 -6.853 -9.534 1.00 10.00 H new ATOM 0 HB2 HIS B 1 -4.544 -8.291 -7.094 1.00 10.00 H new ATOM 0 HB3 HIS B 1 -3.419 -8.933 -8.274 1.00 10.00 H new ATOM 0 HD2 HIS B 1 -0.819 -7.259 -8.175 1.00 10.00 H new ATOM 0 HE1 HIS B 1 -1.246 -6.799 -4.000 1.00 10.00 H new ATOM 0 HE2 HIS B 1 0.410 -6.590 -5.943 1.00 10.00 H new ATOM 784 N MET B 2 -6.475 -7.248 -8.471 1.00 10.00 N ATOM 785 CA MET B 2 -7.849 -7.503 -8.994 1.00 10.00 C ATOM 786 C MET B 2 -7.832 -8.678 -9.976 1.00 10.00 C ATOM 787 O MET B 2 -8.180 -8.538 -11.132 1.00 10.00 O ATOM 788 CB MET B 2 -8.245 -6.211 -9.709 1.00 10.00 C ATOM 789 CG MET B 2 -9.694 -5.863 -9.367 1.00 10.00 C ATOM 790 SD MET B 2 -10.207 -4.407 -10.312 1.00 10.00 S ATOM 791 CE MET B 2 -11.992 -4.625 -10.107 1.00 10.00 C ATOM 0 H MET B 2 -6.409 -7.134 -7.459 1.00 10.00 H new ATOM 0 HA MET B 2 -8.552 -7.763 -8.202 1.00 10.00 H new ATOM 0 HB2 MET B 2 -7.584 -5.399 -9.408 1.00 10.00 H new ATOM 0 HB3 MET B 2 -8.133 -6.330 -10.787 1.00 10.00 H new ATOM 0 HG2 MET B 2 -10.345 -6.706 -9.597 1.00 10.00 H new ATOM 0 HG3 MET B 2 -9.790 -5.668 -8.299 1.00 10.00 H new ATOM 0 HE1 MET B 2 -12.518 -3.821 -10.621 1.00 10.00 H new ATOM 0 HE2 MET B 2 -12.292 -5.584 -10.530 1.00 10.00 H new ATOM 0 HE3 MET B 2 -12.242 -4.602 -9.046 1.00 10.00 H new ATOM 801 N GLY B 3 -7.430 -9.834 -9.525 1.00 10.00 N ATOM 802 CA GLY B 3 -7.391 -11.017 -10.432 1.00 10.00 C ATOM 803 C GLY B 3 -6.828 -12.223 -9.677 1.00 10.00 C ATOM 804 O GLY B 3 -7.330 -13.324 -9.785 1.00 10.00 O ATOM 0 H GLY B 3 -7.127 -10.011 -8.567 1.00 10.00 H new ATOM 0 HA2 GLY B 3 -8.393 -11.240 -10.799 1.00 10.00 H new ATOM 0 HA3 GLY B 3 -6.773 -10.800 -11.303 1.00 10.00 H new ATOM 808 N HIS B 4 -5.790 -12.023 -8.912 1.00 10.00 N ATOM 809 CA HIS B 4 -5.194 -13.159 -8.148 1.00 10.00 C ATOM 810 C HIS B 4 -4.378 -12.627 -6.967 1.00 10.00 C ATOM 811 O HIS B 4 -4.086 -11.451 -6.883 1.00 10.00 O ATOM 812 CB HIS B 4 -4.287 -13.896 -9.141 1.00 10.00 C ATOM 813 CG HIS B 4 -4.028 -13.031 -10.346 1.00 10.00 C ATOM 814 ND1 HIS B 4 -3.349 -11.826 -10.261 1.00 10.00 N ATOM 815 CD2 HIS B 4 -4.356 -13.183 -11.671 1.00 10.00 C ATOM 816 CE1 HIS B 4 -3.289 -11.306 -11.500 1.00 10.00 C ATOM 817 NE2 HIS B 4 -3.888 -12.092 -12.398 1.00 10.00 N ATOM 0 H HIS B 4 -5.328 -11.123 -8.782 1.00 10.00 H new ATOM 0 HA HIS B 4 -5.958 -13.820 -7.740 1.00 10.00 H new ATOM 0 HB2 HIS B 4 -3.344 -14.155 -8.660 1.00 10.00 H new ATOM 0 HB3 HIS B 4 -4.756 -14.831 -9.449 1.00 10.00 H new ATOM 0 HD2 HIS B 4 -4.895 -14.022 -12.086 1.00 10.00 H new ATOM 0 HE1 HIS B 4 -2.814 -10.366 -11.740 1.00 10.00 H new ATOM 0 HE2 HIS B 4 -3.982 -11.928 -13.400 1.00 10.00 H new ATOM 825 N ILE B 5 -4.009 -13.483 -6.054 1.00 10.00 N ATOM 826 CA ILE B 5 -3.214 -13.024 -4.880 1.00 10.00 C ATOM 827 C ILE B 5 -1.979 -13.910 -4.695 1.00 10.00 C ATOM 828 O ILE B 5 -2.085 -15.097 -4.454 1.00 10.00 O ATOM 829 CB ILE B 5 -4.157 -13.163 -3.685 1.00 10.00 C ATOM 830 CG1 ILE B 5 -5.212 -12.053 -3.734 1.00 10.00 C ATOM 831 CG2 ILE B 5 -3.357 -13.052 -2.387 1.00 10.00 C ATOM 832 CD1 ILE B 5 -4.582 -10.723 -3.313 1.00 10.00 C ATOM 0 H ILE B 5 -4.224 -14.480 -6.070 1.00 10.00 H new ATOM 0 HA ILE B 5 -2.855 -12.002 -5.000 1.00 10.00 H new ATOM 0 HB ILE B 5 -4.651 -14.134 -3.724 1.00 10.00 H new ATOM 0 HG12 ILE B 5 -5.620 -11.970 -4.741 1.00 10.00 H new ATOM 0 HG13 ILE B 5 -6.043 -12.298 -3.073 1.00 10.00 H new ATOM 0 HG21 ILE B 5 -4.030 -13.151 -1.535 1.00 10.00 H new ATOM 0 HG22 ILE B 5 -2.608 -13.844 -2.352 1.00 10.00 H new ATOM 0 HG23 ILE B 5 -2.861 -12.082 -2.347 1.00 10.00 H new ATOM 0 HD11 ILE B 5 -5.335 -9.936 -3.349 1.00 10.00 H new ATOM 0 HD12 ILE B 5 -4.195 -10.809 -2.298 1.00 10.00 H new ATOM 0 HD13 ILE B 5 -3.766 -10.476 -3.992 1.00 10.00 H new ATOM 844 N GLN B 6 -0.809 -13.343 -4.805 1.00 10.00 N ATOM 845 CA GLN B 6 0.433 -14.150 -4.634 1.00 10.00 C ATOM 846 C GLN B 6 1.549 -13.277 -4.052 1.00 10.00 C ATOM 847 O GLN B 6 2.683 -13.329 -4.486 1.00 10.00 O ATOM 848 CB GLN B 6 0.799 -14.619 -6.043 1.00 10.00 C ATOM 849 CG GLN B 6 0.686 -13.446 -7.019 1.00 10.00 C ATOM 850 CD GLN B 6 1.818 -13.524 -8.045 1.00 10.00 C ATOM 851 OE1 GLN B 6 1.899 -14.465 -8.808 1.00 10.00 O ATOM 852 NE2 GLN B 6 2.701 -12.564 -8.097 1.00 10.00 N ATOM 0 H GLN B 6 -0.659 -12.354 -5.006 1.00 10.00 H new ATOM 0 HA GLN B 6 0.293 -14.988 -3.951 1.00 10.00 H new ATOM 0 HB2 GLN B 6 1.814 -15.017 -6.053 1.00 10.00 H new ATOM 0 HB3 GLN B 6 0.136 -15.428 -6.352 1.00 10.00 H new ATOM 0 HG2 GLN B 6 -0.279 -13.472 -7.524 1.00 10.00 H new ATOM 0 HG3 GLN B 6 0.737 -12.502 -6.477 1.00 10.00 H new ATOM 0 HE21 GLN B 6 2.633 -11.773 -7.456 1.00 10.00 H new ATOM 0 HE22 GLN B 6 3.459 -12.604 -8.779 1.00 10.00 H new ATOM 861 N ILE B 7 1.234 -12.475 -3.071 1.00 10.00 N ATOM 862 CA ILE B 7 2.276 -11.598 -2.461 1.00 10.00 C ATOM 863 C ILE B 7 2.526 -12.004 -1.005 1.00 10.00 C ATOM 864 O ILE B 7 1.670 -11.839 -0.160 1.00 10.00 O ATOM 865 CB ILE B 7 1.694 -10.186 -2.530 1.00 10.00 C ATOM 866 CG1 ILE B 7 1.494 -9.788 -3.993 1.00 10.00 C ATOM 867 CG2 ILE B 7 2.659 -9.202 -1.866 1.00 10.00 C ATOM 868 CD1 ILE B 7 2.852 -9.715 -4.692 1.00 10.00 C ATOM 0 H ILE B 7 0.302 -12.389 -2.666 1.00 10.00 H new ATOM 0 HA ILE B 7 3.232 -11.672 -2.979 1.00 10.00 H new ATOM 0 HB ILE B 7 0.736 -10.164 -2.011 1.00 10.00 H new ATOM 0 HG12 ILE B 7 0.854 -10.514 -4.494 1.00 10.00 H new ATOM 0 HG13 ILE B 7 0.990 -8.823 -4.053 1.00 10.00 H new ATOM 0 HG21 ILE B 7 2.244 -8.195 -1.916 1.00 10.00 H new ATOM 0 HG22 ILE B 7 2.805 -9.483 -0.823 1.00 10.00 H new ATOM 0 HG23 ILE B 7 3.617 -9.225 -2.386 1.00 10.00 H new ATOM 0 HD11 ILE B 7 2.710 -9.431 -5.735 1.00 10.00 H new ATOM 0 HD12 ILE B 7 3.477 -8.972 -4.196 1.00 10.00 H new ATOM 0 HD13 ILE B 7 3.339 -10.689 -4.644 1.00 10.00 H new ATOM 880 N PRO B 8 3.699 -12.523 -0.765 1.00 10.00 N ATOM 881 CA PRO B 8 4.076 -12.958 0.601 1.00 10.00 C ATOM 882 C PRO B 8 4.288 -11.748 1.514 1.00 10.00 C ATOM 883 O PRO B 8 4.988 -10.819 1.162 1.00 10.00 O ATOM 884 CB PRO B 8 5.378 -13.716 0.393 1.00 10.00 C ATOM 885 CG PRO B 8 5.941 -13.161 -0.868 1.00 10.00 C ATOM 886 CD PRO B 8 4.776 -12.751 -1.729 1.00 10.00 C ATOM 0 HA PRO B 8 3.308 -13.565 1.080 1.00 10.00 H new ATOM 0 HB2 PRO B 8 6.060 -13.568 1.230 1.00 10.00 H new ATOM 0 HB3 PRO B 8 5.203 -14.789 0.310 1.00 10.00 H new ATOM 0 HG2 PRO B 8 6.585 -12.307 -0.659 1.00 10.00 H new ATOM 0 HG3 PRO B 8 6.553 -13.905 -1.377 1.00 10.00 H new ATOM 0 HD2 PRO B 8 4.998 -11.851 -2.302 1.00 10.00 H new ATOM 0 HD3 PRO B 8 4.514 -13.529 -2.446 1.00 10.00 H new ATOM 894 N PRO B 9 3.670 -11.800 2.662 1.00 10.00 N ATOM 895 CA PRO B 9 3.788 -10.693 3.642 1.00 10.00 C ATOM 896 C PRO B 9 5.175 -10.696 4.289 1.00 10.00 C ATOM 897 O PRO B 9 6.057 -11.430 3.887 1.00 10.00 O ATOM 898 CB PRO B 9 2.708 -11.009 4.671 1.00 10.00 C ATOM 899 CG PRO B 9 2.498 -12.487 4.572 1.00 10.00 C ATOM 900 CD PRO B 9 2.812 -12.884 3.152 1.00 10.00 C ATOM 0 HA PRO B 9 3.666 -9.708 3.192 1.00 10.00 H new ATOM 0 HB2 PRO B 9 3.023 -10.722 5.674 1.00 10.00 H new ATOM 0 HB3 PRO B 9 1.788 -10.465 4.457 1.00 10.00 H new ATOM 0 HG2 PRO B 9 3.145 -13.016 5.272 1.00 10.00 H new ATOM 0 HG3 PRO B 9 1.471 -12.748 4.827 1.00 10.00 H new ATOM 0 HD2 PRO B 9 3.322 -13.847 3.110 1.00 10.00 H new ATOM 0 HD3 PRO B 9 1.906 -12.977 2.554 1.00 10.00 H new ATOM 908 N GLY B 10 5.374 -9.880 5.287 1.00 10.00 N ATOM 909 CA GLY B 10 6.702 -9.834 5.960 1.00 10.00 C ATOM 910 C GLY B 10 7.538 -8.700 5.363 1.00 10.00 C ATOM 911 O GLY B 10 8.271 -8.025 6.057 1.00 10.00 O ATOM 0 H GLY B 10 4.674 -9.243 5.666 1.00 10.00 H new ATOM 0 HA2 GLY B 10 6.573 -9.680 7.031 1.00 10.00 H new ATOM 0 HA3 GLY B 10 7.218 -10.786 5.834 1.00 10.00 H new ATOM 915 N LEU B 11 7.434 -8.486 4.079 1.00 10.00 N ATOM 916 CA LEU B 11 8.224 -7.395 3.438 1.00 10.00 C ATOM 917 C LEU B 11 7.602 -6.031 3.756 1.00 10.00 C ATOM 918 O LEU B 11 8.178 -4.998 3.482 1.00 10.00 O ATOM 919 CB LEU B 11 8.146 -7.681 1.938 1.00 10.00 C ATOM 920 CG LEU B 11 8.685 -6.479 1.158 1.00 10.00 C ATOM 921 CD1 LEU B 11 10.094 -6.139 1.647 1.00 10.00 C ATOM 922 CD2 LEU B 11 8.733 -6.820 -0.333 1.00 10.00 C ATOM 0 H LEU B 11 6.837 -9.019 3.447 1.00 10.00 H new ATOM 0 HA LEU B 11 9.253 -7.365 3.797 1.00 10.00 H new ATOM 0 HB2 LEU B 11 8.724 -8.573 1.697 1.00 10.00 H new ATOM 0 HB3 LEU B 11 7.114 -7.882 1.649 1.00 10.00 H new ATOM 0 HG LEU B 11 8.030 -5.622 1.316 1.00 10.00 H new ATOM 0 HD11 LEU B 11 10.476 -5.283 1.090 1.00 10.00 H new ATOM 0 HD12 LEU B 11 10.062 -5.896 2.709 1.00 10.00 H new ATOM 0 HD13 LEU B 11 10.750 -6.995 1.490 1.00 10.00 H new ATOM 0 HD21 LEU B 11 9.117 -5.965 -0.890 1.00 10.00 H new ATOM 0 HD22 LEU B 11 9.387 -7.678 -0.489 1.00 10.00 H new ATOM 0 HD23 LEU B 11 7.729 -7.061 -0.684 1.00 10.00 H new ATOM 934 N THR B 12 6.432 -6.023 4.333 1.00 10.00 N ATOM 935 CA THR B 12 5.774 -4.727 4.666 1.00 10.00 C ATOM 936 C THR B 12 6.634 -3.930 5.649 1.00 10.00 C ATOM 937 O THR B 12 7.120 -2.861 5.340 1.00 10.00 O ATOM 938 CB THR B 12 4.442 -5.116 5.311 1.00 10.00 C ATOM 939 OG1 THR B 12 3.530 -5.519 4.299 1.00 10.00 O ATOM 940 CG2 THR B 12 3.871 -3.917 6.072 1.00 10.00 C ATOM 0 H THR B 12 5.903 -6.857 4.588 1.00 10.00 H new ATOM 0 HA THR B 12 5.635 -4.097 3.787 1.00 10.00 H new ATOM 0 HB THR B 12 4.600 -5.940 6.007 1.00 10.00 H new ATOM 0 HG1 THR B 12 2.676 -5.770 4.709 1.00 10.00 H new ATOM 0 HG21 THR B 12 2.922 -4.196 6.531 1.00 10.00 H new ATOM 0 HG22 THR B 12 4.573 -3.610 6.847 1.00 10.00 H new ATOM 0 HG23 THR B 12 3.711 -3.090 5.380 1.00 10.00 H new ATOM 948 N GLU B 13 6.817 -4.447 6.827 1.00 10.00 N ATOM 949 CA GLU B 13 7.642 -3.730 7.844 1.00 10.00 C ATOM 950 C GLU B 13 8.852 -3.068 7.180 1.00 10.00 C ATOM 951 O GLU B 13 9.060 -1.876 7.293 1.00 10.00 O ATOM 952 CB GLU B 13 8.095 -4.817 8.820 1.00 10.00 C ATOM 953 CG GLU B 13 8.345 -4.196 10.196 1.00 10.00 C ATOM 954 CD GLU B 13 7.091 -4.347 11.058 1.00 10.00 C ATOM 955 OE1 GLU B 13 6.075 -4.762 10.524 1.00 10.00 O ATOM 956 OE2 GLU B 13 7.167 -4.044 12.238 1.00 10.00 O ATOM 0 H GLU B 13 6.431 -5.339 7.135 1.00 10.00 H new ATOM 0 HA GLU B 13 7.084 -2.937 8.342 1.00 10.00 H new ATOM 0 HB2 GLU B 13 7.335 -5.595 8.893 1.00 10.00 H new ATOM 0 HB3 GLU B 13 9.004 -5.293 8.454 1.00 10.00 H new ATOM 0 HG2 GLU B 13 9.192 -4.684 10.679 1.00 10.00 H new ATOM 0 HG3 GLU B 13 8.602 -3.142 10.090 1.00 10.00 H new ATOM 963 N LEU B 14 9.653 -3.831 6.487 1.00 10.00 N ATOM 964 CA LEU B 14 10.848 -3.245 5.817 1.00 10.00 C ATOM 965 C LEU B 14 10.469 -1.951 5.092 1.00 10.00 C ATOM 966 O LEU B 14 10.875 -0.872 5.477 1.00 10.00 O ATOM 967 CB LEU B 14 11.302 -4.305 4.814 1.00 10.00 C ATOM 968 CG LEU B 14 12.611 -4.934 5.294 1.00 10.00 C ATOM 969 CD1 LEU B 14 12.303 -6.164 6.151 1.00 10.00 C ATOM 970 CD2 LEU B 14 13.448 -5.355 4.084 1.00 10.00 C ATOM 0 H LEU B 14 9.531 -4.835 6.356 1.00 10.00 H new ATOM 0 HA LEU B 14 11.635 -2.992 6.528 1.00 10.00 H new ATOM 0 HB2 LEU B 14 10.535 -5.072 4.707 1.00 10.00 H new ATOM 0 HB3 LEU B 14 11.441 -3.855 3.831 1.00 10.00 H new ATOM 0 HG LEU B 14 13.166 -4.207 5.887 1.00 10.00 H new ATOM 0 HD11 LEU B 14 13.236 -6.612 6.493 1.00 10.00 H new ATOM 0 HD12 LEU B 14 11.706 -5.867 7.013 1.00 10.00 H new ATOM 0 HD13 LEU B 14 11.747 -6.891 5.558 1.00 10.00 H new ATOM 0 HD21 LEU B 14 14.381 -5.803 4.425 1.00 10.00 H new ATOM 0 HD22 LEU B 14 12.892 -6.081 3.492 1.00 10.00 H new ATOM 0 HD23 LEU B 14 13.668 -4.480 3.472 1.00 10.00 H new ATOM 982 N LEU B 15 9.699 -2.050 4.044 1.00 10.00 N ATOM 983 CA LEU B 15 9.299 -0.826 3.294 1.00 10.00 C ATOM 984 C LEU B 15 8.551 0.143 4.212 1.00 10.00 C ATOM 985 O LEU B 15 8.921 1.291 4.350 1.00 10.00 O ATOM 986 CB LEU B 15 8.381 -1.326 2.179 1.00 10.00 C ATOM 987 CG LEU B 15 9.201 -1.544 0.906 1.00 10.00 C ATOM 988 CD1 LEU B 15 10.223 -2.656 1.140 1.00 10.00 C ATOM 989 CD2 LEU B 15 8.266 -1.943 -0.239 1.00 10.00 C ATOM 0 H LEU B 15 9.329 -2.926 3.674 1.00 10.00 H new ATOM 0 HA LEU B 15 10.160 -0.285 2.902 1.00 10.00 H new ATOM 0 HB2 LEU B 15 7.900 -2.257 2.479 1.00 10.00 H new ATOM 0 HB3 LEU B 15 7.587 -0.602 1.994 1.00 10.00 H new ATOM 0 HG LEU B 15 9.722 -0.622 0.647 1.00 10.00 H new ATOM 0 HD11 LEU B 15 10.807 -2.811 0.233 1.00 10.00 H new ATOM 0 HD12 LEU B 15 10.888 -2.373 1.956 1.00 10.00 H new ATOM 0 HD13 LEU B 15 9.704 -3.579 1.399 1.00 10.00 H new ATOM 0 HD21 LEU B 15 8.849 -2.099 -1.147 1.00 10.00 H new ATOM 0 HD22 LEU B 15 7.745 -2.865 0.021 1.00 10.00 H new ATOM 0 HD23 LEU B 15 7.537 -1.150 -0.407 1.00 10.00 H new ATOM 1001 N GLN B 16 7.499 -0.309 4.842 1.00 10.00 N ATOM 1002 CA GLN B 16 6.733 0.592 5.750 1.00 10.00 C ATOM 1003 C GLN B 16 7.696 1.456 6.566 1.00 10.00 C ATOM 1004 O GLN B 16 7.620 2.668 6.555 1.00 10.00 O ATOM 1005 CB GLN B 16 5.944 -0.341 6.665 1.00 10.00 C ATOM 1006 CG GLN B 16 4.491 0.132 6.749 1.00 10.00 C ATOM 1007 CD GLN B 16 3.744 -0.693 7.799 1.00 10.00 C ATOM 1008 OE1 GLN B 16 3.683 -1.903 7.707 1.00 10.00 O ATOM 1009 NE2 GLN B 16 3.169 -0.085 8.800 1.00 10.00 N ATOM 0 H GLN B 16 7.138 -1.260 4.767 1.00 10.00 H new ATOM 0 HA GLN B 16 6.079 1.271 5.203 1.00 10.00 H new ATOM 0 HB2 GLN B 16 5.984 -1.361 6.283 1.00 10.00 H new ATOM 0 HB3 GLN B 16 6.391 -0.355 7.659 1.00 10.00 H new ATOM 0 HG2 GLN B 16 4.457 1.190 7.011 1.00 10.00 H new ATOM 0 HG3 GLN B 16 4.007 0.028 5.778 1.00 10.00 H new ATOM 0 HE21 GLN B 16 3.220 0.931 8.877 1.00 10.00 H new ATOM 0 HE22 GLN B 16 2.668 -0.625 9.505 1.00 10.00 H new ATOM 1018 N GLY B 17 8.608 0.842 7.271 1.00 10.00 N ATOM 1019 CA GLY B 17 9.577 1.633 8.077 1.00 10.00 C ATOM 1020 C GLY B 17 10.115 2.782 7.225 1.00 10.00 C ATOM 1021 O GLY B 17 10.057 3.932 7.609 1.00 10.00 O ATOM 0 H GLY B 17 8.722 -0.170 7.323 1.00 10.00 H new ATOM 0 HA2 GLY B 17 9.092 2.023 8.972 1.00 10.00 H new ATOM 0 HA3 GLY B 17 10.397 0.997 8.411 1.00 10.00 H new ATOM 1025 N TYR B 18 10.634 2.476 6.066 1.00 10.00 N ATOM 1026 CA TYR B 18 11.171 3.547 5.182 1.00 10.00 C ATOM 1027 C TYR B 18 10.265 4.778 5.229 1.00 10.00 C ATOM 1028 O TYR B 18 10.673 5.846 5.641 1.00 10.00 O ATOM 1029 CB TYR B 18 11.170 2.937 3.781 1.00 10.00 C ATOM 1030 CG TYR B 18 12.366 3.447 3.020 1.00 10.00 C ATOM 1031 CD1 TYR B 18 13.632 3.410 3.613 1.00 10.00 C ATOM 1032 CD2 TYR B 18 12.211 3.961 1.728 1.00 10.00 C ATOM 1033 CE1 TYR B 18 14.747 3.887 2.914 1.00 10.00 C ATOM 1034 CE2 TYR B 18 13.325 4.439 1.027 1.00 10.00 C ATOM 1035 CZ TYR B 18 14.592 4.402 1.620 1.00 10.00 C ATOM 1036 OH TYR B 18 15.689 4.874 0.930 1.00 10.00 O ATOM 0 H TYR B 18 10.709 1.529 5.694 1.00 10.00 H new ATOM 0 HA TYR B 18 12.165 3.874 5.487 1.00 10.00 H new ATOM 0 HB2 TYR B 18 11.201 1.849 3.845 1.00 10.00 H new ATOM 0 HB3 TYR B 18 10.251 3.200 3.257 1.00 10.00 H new ATOM 0 HD1 TYR B 18 13.749 3.013 4.611 1.00 10.00 H new ATOM 0 HD2 TYR B 18 11.233 3.989 1.272 1.00 10.00 H new ATOM 0 HE1 TYR B 18 15.725 3.858 3.371 1.00 10.00 H new ATOM 0 HE2 TYR B 18 13.206 4.836 0.030 1.00 10.00 H new ATOM 0 HH TYR B 18 16.197 5.486 1.503 1.00 10.00 H new ATOM 1046 N THR B 19 9.036 4.637 4.812 1.00 10.00 N ATOM 1047 CA THR B 19 8.106 5.802 4.837 1.00 10.00 C ATOM 1048 C THR B 19 8.146 6.469 6.214 1.00 10.00 C ATOM 1049 O THR B 19 7.981 7.666 6.342 1.00 10.00 O ATOM 1050 CB THR B 19 6.723 5.207 4.544 1.00 10.00 C ATOM 1051 OG1 THR B 19 6.215 5.769 3.342 1.00 10.00 O ATOM 1052 CG2 THR B 19 5.759 5.514 5.696 1.00 10.00 C ATOM 0 H THR B 19 8.637 3.768 4.456 1.00 10.00 H new ATOM 0 HA THR B 19 8.370 6.571 4.111 1.00 10.00 H new ATOM 0 HB THR B 19 6.816 4.126 4.438 1.00 10.00 H new ATOM 0 HG1 THR B 19 5.332 5.389 3.151 1.00 10.00 H new ATOM 0 HG21 THR B 19 4.781 5.086 5.476 1.00 10.00 H new ATOM 0 HG22 THR B 19 6.145 5.081 6.619 1.00 10.00 H new ATOM 0 HG23 THR B 19 5.665 6.594 5.814 1.00 10.00 H new ATOM 1060 N VAL B 20 8.366 5.701 7.245 1.00 10.00 N ATOM 1061 CA VAL B 20 8.418 6.286 8.615 1.00 10.00 C ATOM 1062 C VAL B 20 9.758 6.992 8.839 1.00 10.00 C ATOM 1063 O VAL B 20 9.879 7.863 9.677 1.00 10.00 O ATOM 1064 CB VAL B 20 8.277 5.094 9.561 1.00 10.00 C ATOM 1065 CG1 VAL B 20 8.199 5.593 11.006 1.00 10.00 C ATOM 1066 CG2 VAL B 20 7.000 4.325 9.219 1.00 10.00 C ATOM 0 H VAL B 20 8.512 4.693 7.198 1.00 10.00 H new ATOM 0 HA VAL B 20 7.637 7.029 8.776 1.00 10.00 H new ATOM 0 HB VAL B 20 9.140 4.438 9.451 1.00 10.00 H new ATOM 0 HG11 VAL B 20 8.098 4.742 11.680 1.00 10.00 H new ATOM 0 HG12 VAL B 20 9.107 6.144 11.250 1.00 10.00 H new ATOM 0 HG13 VAL B 20 7.336 6.249 11.118 1.00 10.00 H new ATOM 0 HG21 VAL B 20 6.896 3.474 9.892 1.00 10.00 H new ATOM 0 HG22 VAL B 20 6.138 4.983 9.331 1.00 10.00 H new ATOM 0 HG23 VAL B 20 7.054 3.969 8.190 1.00 10.00 H new ATOM 1076 N GLU B 21 10.769 6.628 8.097 1.00 10.00 N ATOM 1077 CA GLU B 21 12.097 7.288 8.276 1.00 10.00 C ATOM 1078 C GLU B 21 12.244 8.430 7.276 1.00 10.00 C ATOM 1079 O GLU B 21 12.509 9.559 7.635 1.00 10.00 O ATOM 1080 CB GLU B 21 13.147 6.209 7.994 1.00 10.00 C ATOM 1081 CG GLU B 21 12.515 4.827 8.122 1.00 10.00 C ATOM 1082 CD GLU B 21 13.567 3.823 8.597 1.00 10.00 C ATOM 1083 OE1 GLU B 21 13.838 3.797 9.787 1.00 10.00 O ATOM 1084 OE2 GLU B 21 14.085 3.100 7.763 1.00 10.00 O ATOM 0 H GLU B 21 10.735 5.906 7.378 1.00 10.00 H new ATOM 0 HA GLU B 21 12.209 7.703 9.278 1.00 10.00 H new ATOM 0 HB2 GLU B 21 13.557 6.340 6.992 1.00 10.00 H new ATOM 0 HB3 GLU B 21 13.978 6.305 8.693 1.00 10.00 H new ATOM 0 HG2 GLU B 21 11.685 4.860 8.827 1.00 10.00 H new ATOM 0 HG3 GLU B 21 12.106 4.513 7.162 1.00 10.00 H new ATOM 1091 N VAL B 22 12.071 8.135 6.019 1.00 10.00 N ATOM 1092 CA VAL B 22 12.196 9.191 4.976 1.00 10.00 C ATOM 1093 C VAL B 22 11.275 10.369 5.307 1.00 10.00 C ATOM 1094 O VAL B 22 11.553 11.502 4.968 1.00 10.00 O ATOM 1095 CB VAL B 22 11.762 8.511 3.677 1.00 10.00 C ATOM 1096 CG1 VAL B 22 12.200 9.361 2.488 1.00 10.00 C ATOM 1097 CG2 VAL B 22 12.416 7.131 3.577 1.00 10.00 C ATOM 0 H VAL B 22 11.847 7.204 5.667 1.00 10.00 H new ATOM 0 HA VAL B 22 13.207 9.592 4.906 1.00 10.00 H new ATOM 0 HB VAL B 22 10.677 8.402 3.672 1.00 10.00 H new ATOM 0 HG11 VAL B 22 11.891 8.877 1.561 1.00 10.00 H new ATOM 0 HG12 VAL B 22 11.738 10.346 2.555 1.00 10.00 H new ATOM 0 HG13 VAL B 22 13.285 9.468 2.497 1.00 10.00 H new ATOM 0 HG21 VAL B 22 12.106 6.648 2.651 1.00 10.00 H new ATOM 0 HG22 VAL B 22 13.500 7.241 3.583 1.00 10.00 H new ATOM 0 HG23 VAL B 22 12.108 6.520 4.426 1.00 10.00 H new ATOM 1107 N LEU B 23B 10.178 10.111 5.969 1.00 10.00 N ATOM 1108 CA LEU B 23B 9.242 11.217 6.321 1.00 10.00 C ATOM 1109 C LEU B 23B 9.609 11.810 7.684 1.00 10.00 C ATOM 1110 O LEU B 23B 9.515 13.002 7.896 1.00 10.00 O ATOM 1111 CB LEU B 23B 7.859 10.566 6.368 1.00 10.00 C ATOM 1112 CG LEU B 23B 7.415 10.217 4.946 1.00 10.00 C ATOM 1113 CD1 LEU B 23B 5.999 9.638 4.979 1.00 10.00 C ATOM 1114 CD2 LEU B 23B 7.427 11.483 4.086 1.00 10.00 C ATOM 0 H LEU B 23B 9.891 9.183 6.280 1.00 10.00 H new ATOM 0 HA LEU B 23B 9.281 12.036 5.602 1.00 10.00 H new ATOM 0 HB2 LEU B 23B 7.889 9.667 6.983 1.00 10.00 H new ATOM 0 HB3 LEU B 23B 7.141 11.244 6.829 1.00 10.00 H new ATOM 0 HG LEU B 23B 8.098 9.480 4.523 1.00 10.00 H new ATOM 0 HD11 LEU B 23B 5.684 9.390 3.966 1.00 10.00 H new ATOM 0 HD12 LEU B 23B 5.988 8.738 5.593 1.00 10.00 H new ATOM 0 HD13 LEU B 23B 5.315 10.374 5.402 1.00 10.00 H new ATOM 0 HD21 LEU B 23B 7.111 11.237 3.072 1.00 10.00 H new ATOM 0 HD22 LEU B 23B 6.743 12.218 4.511 1.00 10.00 H new ATOM 0 HD23 LEU B 23B 8.435 11.897 4.062 1.00 10.00 H new ATOM 1126 N ARG B 24 10.029 10.990 8.612 1.00 10.00 N ATOM 1127 CA ARG B 24 10.404 11.516 9.958 1.00 10.00 C ATOM 1128 C ARG B 24 11.848 12.028 9.944 1.00 10.00 C ATOM 1129 O ARG B 24 12.581 11.874 10.900 1.00 10.00 O ATOM 1130 CB ARG B 24 10.267 10.323 10.901 1.00 10.00 C ATOM 1131 CG ARG B 24 8.784 10.000 11.093 1.00 10.00 C ATOM 1132 CD ARG B 24 8.492 9.822 12.582 1.00 10.00 C ATOM 1133 NE ARG B 24 7.779 8.517 12.676 1.00 10.00 N ATOM 1134 CZ ARG B 24 6.683 8.412 13.380 1.00 10.00 C ATOM 1135 NH1 ARG B 24 5.929 9.458 13.586 1.00 10.00 N ATOM 1136 NH2 ARG B 24 6.337 7.255 13.873 1.00 10.00 N ATOM 0 H ARG B 24 10.128 9.981 8.497 1.00 10.00 H new ATOM 0 HA ARG B 24 9.775 12.352 10.264 1.00 10.00 H new ATOM 0 HB2 ARG B 24 10.789 9.459 10.491 1.00 10.00 H new ATOM 0 HB3 ARG B 24 10.729 10.549 11.862 1.00 10.00 H new ATOM 0 HG2 ARG B 24 8.170 10.802 10.684 1.00 10.00 H new ATOM 0 HG3 ARG B 24 8.525 9.092 10.549 1.00 10.00 H new ATOM 0 HD2 ARG B 24 9.411 9.814 13.167 1.00 10.00 H new ATOM 0 HD3 ARG B 24 7.878 10.637 12.965 1.00 10.00 H new ATOM 0 HE ARG B 24 8.148 7.701 12.188 1.00 10.00 H new ATOM 0 HH11 ARG B 24 6.194 10.363 13.197 1.00 10.00 H new ATOM 0 HH12 ARG B 24 5.075 9.370 14.136 1.00 10.00 H new ATOM 0 HH21 ARG B 24 6.921 6.435 13.709 1.00 10.00 H new ATOM 0 HH22 ARG B 24 5.482 7.170 14.423 1.00 10.00 H new ATOM 1150 N GLN B 25 12.259 12.636 8.865 1.00 10.00 N ATOM 1151 CA GLN B 25 13.652 13.160 8.786 1.00 10.00 C ATOM 1152 C GLN B 25 13.897 13.782 7.406 1.00 10.00 C ATOM 1153 O GLN B 25 14.688 14.692 7.253 1.00 10.00 O ATOM 1154 CB GLN B 25 14.550 11.935 9.038 1.00 10.00 C ATOM 1155 CG GLN B 25 15.269 11.498 7.753 1.00 10.00 C ATOM 1156 CD GLN B 25 16.771 11.744 7.904 1.00 10.00 C ATOM 1157 OE1 GLN B 25 17.355 12.636 7.152 1.00 10.00 O flip ATOM 1158 NE2 GLN B 25 17.422 11.116 8.716 1.00 10.00 N flip ATOM 0 H GLN B 25 11.689 12.793 8.034 1.00 10.00 H new ATOM 0 HA GLN B 25 13.855 13.948 9.512 1.00 10.00 H new ATOM 0 HB2 GLN B 25 15.286 12.172 9.806 1.00 10.00 H new ATOM 0 HB3 GLN B 25 13.947 11.111 9.418 1.00 10.00 H new ATOM 0 HG2 GLN B 25 15.080 10.442 7.558 1.00 10.00 H new ATOM 0 HG3 GLN B 25 14.882 12.054 6.899 1.00 10.00 H new ATOM 0 HE21 GLN B 25 16.967 10.418 9.305 1.00 10.00 H new ATOM 0 HE22 GLN B 25 18.423 11.287 8.809 1.00 10.00 H new ATOM 1167 N GLN B 26 13.214 13.300 6.403 1.00 10.00 N ATOM 1168 CA GLN B 26 13.392 13.860 5.032 1.00 10.00 C ATOM 1169 C GLN B 26 14.869 14.154 4.756 1.00 10.00 C ATOM 1170 O GLN B 26 15.330 15.259 4.960 1.00 10.00 O ATOM 1171 CB GLN B 26 12.582 15.157 5.029 1.00 10.00 C ATOM 1172 CG GLN B 26 11.362 14.998 4.119 1.00 10.00 C ATOM 1173 CD GLN B 26 11.735 15.404 2.692 1.00 10.00 C ATOM 1174 OE1 GLN B 26 12.246 14.603 1.935 1.00 10.00 O ATOM 1175 NE2 GLN B 26 11.501 16.624 2.291 1.00 10.00 N ATOM 0 H GLN B 26 12.538 12.540 6.474 1.00 10.00 H new ATOM 0 HA GLN B 26 13.062 13.164 4.261 1.00 10.00 H new ATOM 0 HB2 GLN B 26 12.263 15.401 6.042 1.00 10.00 H new ATOM 0 HB3 GLN B 26 13.202 15.984 4.682 1.00 10.00 H new ATOM 0 HG2 GLN B 26 11.014 13.965 4.136 1.00 10.00 H new ATOM 0 HG3 GLN B 26 10.541 15.616 4.482 1.00 10.00 H new ATOM 0 HE21 GLN B 26 11.072 17.296 2.927 1.00 10.00 H new ATOM 0 HE22 GLN B 26 11.747 16.905 1.342 1.00 10.00 H new ATOM 1184 N PRO B 27 15.562 13.149 4.294 1.00 10.00 N ATOM 1185 CA PRO B 27 17.001 13.299 3.979 1.00 10.00 C ATOM 1186 C PRO B 27 17.183 14.159 2.724 1.00 10.00 C ATOM 1187 O PRO B 27 16.245 14.383 1.985 1.00 10.00 O ATOM 1188 CB PRO B 27 17.467 11.869 3.729 1.00 10.00 C ATOM 1189 CG PRO B 27 16.234 11.132 3.320 1.00 10.00 C ATOM 1190 CD PRO B 27 15.080 11.791 4.027 1.00 10.00 C ATOM 0 HA PRO B 27 17.564 13.791 4.772 1.00 10.00 H new ATOM 0 HB2 PRO B 27 18.227 11.831 2.949 1.00 10.00 H new ATOM 0 HB3 PRO B 27 17.909 11.434 4.626 1.00 10.00 H new ATOM 0 HG2 PRO B 27 16.100 11.173 2.239 1.00 10.00 H new ATOM 0 HG3 PRO B 27 16.304 10.079 3.593 1.00 10.00 H new ATOM 0 HD2 PRO B 27 14.183 11.800 3.407 1.00 10.00 H new ATOM 0 HD3 PRO B 27 14.825 11.269 4.949 1.00 10.00 H new ATOM 1198 N PRO B 28 18.393 14.606 2.521 1.00 10.00 N ATOM 1199 CA PRO B 28 18.707 15.444 1.339 1.00 10.00 C ATOM 1200 C PRO B 28 18.622 14.603 0.062 1.00 10.00 C ATOM 1201 O PRO B 28 18.425 15.116 -1.022 1.00 10.00 O ATOM 1202 CB PRO B 28 20.138 15.907 1.598 1.00 10.00 C ATOM 1203 CG PRO B 28 20.711 14.875 2.512 1.00 10.00 C ATOM 1204 CD PRO B 28 19.571 14.379 3.361 1.00 10.00 C ATOM 0 HA PRO B 28 18.018 16.278 1.202 1.00 10.00 H new ATOM 0 HB2 PRO B 28 20.707 15.974 0.670 1.00 10.00 H new ATOM 0 HB3 PRO B 28 20.157 16.896 2.056 1.00 10.00 H new ATOM 0 HG2 PRO B 28 21.157 14.058 1.944 1.00 10.00 H new ATOM 0 HG3 PRO B 28 21.500 15.300 3.132 1.00 10.00 H new ATOM 0 HD2 PRO B 28 19.687 13.325 3.612 1.00 10.00 H new ATOM 0 HD3 PRO B 28 19.504 14.925 4.302 1.00 10.00 H new ATOM 1212 N ASP B 29 18.765 13.312 0.187 1.00 10.00 N ATOM 1213 CA ASP B 29 18.688 12.427 -1.009 1.00 10.00 C ATOM 1214 C ASP B 29 18.168 11.046 -0.598 1.00 10.00 C ATOM 1215 O ASP B 29 18.778 10.353 0.190 1.00 10.00 O ATOM 1216 CB ASP B 29 20.123 12.333 -1.528 1.00 10.00 C ATOM 1217 CG ASP B 29 20.658 13.740 -1.805 1.00 10.00 C ATOM 1218 OD1 ASP B 29 20.087 14.415 -2.645 1.00 10.00 O ATOM 1219 OD2 ASP B 29 21.632 14.115 -1.174 1.00 10.00 O ATOM 0 H ASP B 29 18.933 12.830 1.070 1.00 10.00 H new ATOM 0 HA ASP B 29 18.010 12.811 -1.771 1.00 10.00 H new ATOM 0 HB2 ASP B 29 20.754 11.830 -0.795 1.00 10.00 H new ATOM 0 HB3 ASP B 29 20.153 11.735 -2.439 1.00 10.00 H new ATOM 1224 N LEU B 30 17.040 10.646 -1.120 1.00 10.00 N ATOM 1225 CA LEU B 30 16.479 9.315 -0.749 1.00 10.00 C ATOM 1226 C LEU B 30 17.401 8.194 -1.236 1.00 10.00 C ATOM 1227 O LEU B 30 17.934 7.434 -0.453 1.00 10.00 O ATOM 1228 CB LEU B 30 15.129 9.243 -1.459 1.00 10.00 C ATOM 1229 CG LEU B 30 14.052 8.774 -0.477 1.00 10.00 C ATOM 1230 CD1 LEU B 30 12.822 8.314 -1.258 1.00 10.00 C ATOM 1231 CD2 LEU B 30 14.588 7.608 0.358 1.00 10.00 C ATOM 0 H LEU B 30 16.484 11.182 -1.786 1.00 10.00 H new ATOM 0 HA LEU B 30 16.380 9.197 0.330 1.00 10.00 H new ATOM 0 HB2 LEU B 30 14.866 10.222 -1.861 1.00 10.00 H new ATOM 0 HB3 LEU B 30 15.188 8.557 -2.304 1.00 10.00 H new ATOM 0 HG LEU B 30 13.781 9.597 0.184 1.00 10.00 H new ATOM 0 HD11 LEU B 30 12.053 7.979 -0.562 1.00 10.00 H new ATOM 0 HD12 LEU B 30 12.437 9.143 -1.852 1.00 10.00 H new ATOM 0 HD13 LEU B 30 13.097 7.491 -1.918 1.00 10.00 H new ATOM 0 HD21 LEU B 30 13.819 7.277 1.056 1.00 10.00 H new ATOM 0 HD22 LEU B 30 14.860 6.783 -0.301 1.00 10.00 H new ATOM 0 HD23 LEU B 30 15.467 7.933 0.914 1.00 10.00 H new ATOM 1243 N VAL B 31 17.587 8.086 -2.525 1.00 10.00 N ATOM 1244 CA VAL B 31 18.474 7.014 -3.070 1.00 10.00 C ATOM 1245 C VAL B 31 19.618 6.729 -2.099 1.00 10.00 C ATOM 1246 O VAL B 31 19.694 5.675 -1.499 1.00 10.00 O ATOM 1247 CB VAL B 31 19.024 7.588 -4.374 1.00 10.00 C ATOM 1248 CG1 VAL B 31 19.763 6.489 -5.142 1.00 10.00 C ATOM 1249 CG2 VAL B 31 17.868 8.114 -5.226 1.00 10.00 C ATOM 0 H VAL B 31 17.163 8.694 -3.226 1.00 10.00 H new ATOM 0 HA VAL B 31 17.940 6.076 -3.222 1.00 10.00 H new ATOM 0 HB VAL B 31 19.712 8.403 -4.151 1.00 10.00 H new ATOM 0 HG11 VAL B 31 20.156 6.897 -6.073 1.00 10.00 H new ATOM 0 HG12 VAL B 31 20.586 6.111 -4.535 1.00 10.00 H new ATOM 0 HG13 VAL B 31 19.074 5.675 -5.365 1.00 10.00 H new ATOM 0 HG21 VAL B 31 18.259 8.524 -6.157 1.00 10.00 H new ATOM 0 HG22 VAL B 31 17.180 7.298 -5.449 1.00 10.00 H new ATOM 0 HG23 VAL B 31 17.339 8.895 -4.680 1.00 10.00 H new ATOM 1259 N ASP B 32 20.506 7.669 -1.940 1.00 10.00 N ATOM 1260 CA ASP B 32 21.649 7.469 -1.010 1.00 10.00 C ATOM 1261 C ASP B 32 21.131 7.045 0.370 1.00 10.00 C ATOM 1262 O ASP B 32 21.730 6.230 1.042 1.00 10.00 O ATOM 1263 CB ASP B 32 22.336 8.837 -0.959 1.00 10.00 C ATOM 1264 CG ASP B 32 22.109 9.498 0.404 1.00 10.00 C ATOM 1265 OD1 ASP B 32 20.973 9.825 0.700 1.00 10.00 O ATOM 1266 OD2 ASP B 32 23.078 9.665 1.126 1.00 10.00 O ATOM 0 H ASP B 32 20.489 8.571 -2.416 1.00 10.00 H new ATOM 0 HA ASP B 32 22.335 6.685 -1.331 1.00 10.00 H new ATOM 0 HB2 ASP B 32 23.405 8.721 -1.141 1.00 10.00 H new ATOM 0 HB3 ASP B 32 21.945 9.477 -1.750 1.00 10.00 H new ATOM 1271 N PHE B 33 20.020 7.584 0.789 1.00 10.00 N ATOM 1272 CA PHE B 33 19.464 7.202 2.118 1.00 10.00 C ATOM 1273 C PHE B 33 19.017 5.738 2.089 1.00 10.00 C ATOM 1274 O PHE B 33 19.149 5.018 3.059 1.00 10.00 O ATOM 1275 CB PHE B 33 18.266 8.129 2.330 1.00 10.00 C ATOM 1276 CG PHE B 33 17.574 7.772 3.624 1.00 10.00 C ATOM 1277 CD1 PHE B 33 18.116 8.191 4.845 1.00 10.00 C ATOM 1278 CD2 PHE B 33 16.393 7.021 3.602 1.00 10.00 C ATOM 1279 CE1 PHE B 33 17.474 7.859 6.045 1.00 10.00 C ATOM 1280 CE2 PHE B 33 15.752 6.689 4.801 1.00 10.00 C ATOM 1281 CZ PHE B 33 16.294 7.108 6.023 1.00 10.00 C ATOM 0 H PHE B 33 19.474 8.271 0.270 1.00 10.00 H new ATOM 0 HA PHE B 33 20.194 7.300 2.921 1.00 10.00 H new ATOM 0 HB2 PHE B 33 18.597 9.167 2.357 1.00 10.00 H new ATOM 0 HB3 PHE B 33 17.570 8.037 1.496 1.00 10.00 H new ATOM 0 HD1 PHE B 33 19.028 8.769 4.862 1.00 10.00 H new ATOM 0 HD2 PHE B 33 15.976 6.698 2.660 1.00 10.00 H new ATOM 0 HE1 PHE B 33 17.890 8.183 6.987 1.00 10.00 H new ATOM 0 HE2 PHE B 33 14.840 6.110 4.784 1.00 10.00 H new ATOM 0 HZ PHE B 33 15.801 6.851 6.949 1.00 10.00 H new ATOM 1291 N ALA B 34 18.495 5.293 0.978 1.00 10.00 N ATOM 1292 CA ALA B 34 18.046 3.874 0.877 1.00 10.00 C ATOM 1293 C ALA B 34 19.244 2.935 1.034 1.00 10.00 C ATOM 1294 O ALA B 34 19.132 1.854 1.577 1.00 10.00 O ATOM 1295 CB ALA B 34 17.444 3.746 -0.522 1.00 10.00 C ATOM 0 H ALA B 34 18.360 5.851 0.135 1.00 10.00 H new ATOM 0 HA ALA B 34 17.327 3.610 1.653 1.00 10.00 H new ATOM 0 HB1 ALA B 34 17.089 2.726 -0.674 1.00 10.00 H new ATOM 0 HB2 ALA B 34 16.609 4.439 -0.624 1.00 10.00 H new ATOM 0 HB3 ALA B 34 18.203 3.981 -1.268 1.00 10.00 H new ATOM 1301 N VAL B 35 20.390 3.342 0.563 1.00 10.00 N ATOM 1302 CA VAL B 35 21.594 2.488 0.681 1.00 10.00 C ATOM 1303 C VAL B 35 22.134 2.557 2.109 1.00 10.00 C ATOM 1304 O VAL B 35 22.515 1.561 2.689 1.00 10.00 O ATOM 1305 CB VAL B 35 22.576 3.108 -0.309 1.00 10.00 C ATOM 1306 CG1 VAL B 35 23.992 2.654 0.014 1.00 10.00 C ATOM 1307 CG2 VAL B 35 22.215 2.667 -1.727 1.00 10.00 C ATOM 0 H VAL B 35 20.540 4.238 0.099 1.00 10.00 H new ATOM 0 HA VAL B 35 21.406 1.435 0.470 1.00 10.00 H new ATOM 0 HB VAL B 35 22.520 4.194 -0.236 1.00 10.00 H new ATOM 0 HG11 VAL B 35 24.688 3.100 -0.696 1.00 10.00 H new ATOM 0 HG12 VAL B 35 24.253 2.968 1.024 1.00 10.00 H new ATOM 0 HG13 VAL B 35 24.050 1.568 -0.054 1.00 10.00 H new ATOM 0 HG21 VAL B 35 22.916 3.109 -2.435 1.00 10.00 H new ATOM 0 HG22 VAL B 35 22.268 1.580 -1.795 1.00 10.00 H new ATOM 0 HG23 VAL B 35 21.203 2.996 -1.964 1.00 10.00 H new ATOM 1317 N GLU B 36 22.170 3.730 2.680 1.00 10.00 N ATOM 1318 CA GLU B 36 22.688 3.872 4.070 1.00 10.00 C ATOM 1319 C GLU B 36 21.790 3.119 5.056 1.00 10.00 C ATOM 1320 O GLU B 36 22.259 2.525 6.003 1.00 10.00 O ATOM 1321 CB GLU B 36 22.650 5.374 4.355 1.00 10.00 C ATOM 1322 CG GLU B 36 23.700 6.085 3.498 1.00 10.00 C ATOM 1323 CD GLU B 36 24.446 7.110 4.354 1.00 10.00 C ATOM 1324 OE1 GLU B 36 24.071 7.280 5.502 1.00 10.00 O ATOM 1325 OE2 GLU B 36 25.379 7.709 3.846 1.00 10.00 O ATOM 0 H GLU B 36 21.862 4.598 2.242 1.00 10.00 H new ATOM 0 HA GLU B 36 23.691 3.459 4.177 1.00 10.00 H new ATOM 0 HB2 GLU B 36 21.658 5.771 4.137 1.00 10.00 H new ATOM 0 HB3 GLU B 36 22.842 5.559 5.412 1.00 10.00 H new ATOM 0 HG2 GLU B 36 24.401 5.359 3.086 1.00 10.00 H new ATOM 0 HG3 GLU B 36 23.221 6.580 2.653 1.00 10.00 H new ATOM 1332 N TYR B 37 20.501 3.149 4.852 1.00 10.00 N ATOM 1333 CA TYR B 37 19.583 2.442 5.791 1.00 10.00 C ATOM 1334 C TYR B 37 19.812 0.927 5.740 1.00 10.00 C ATOM 1335 O TYR B 37 20.153 0.309 6.730 1.00 10.00 O ATOM 1336 CB TYR B 37 18.173 2.781 5.306 1.00 10.00 C ATOM 1337 CG TYR B 37 17.170 1.934 6.054 1.00 10.00 C ATOM 1338 CD1 TYR B 37 17.351 1.678 7.418 1.00 10.00 C ATOM 1339 CD2 TYR B 37 16.061 1.404 5.383 1.00 10.00 C ATOM 1340 CE1 TYR B 37 16.423 0.892 8.113 1.00 10.00 C ATOM 1341 CE2 TYR B 37 15.133 0.618 6.077 1.00 10.00 C ATOM 1342 CZ TYR B 37 15.314 0.362 7.442 1.00 10.00 C ATOM 1343 OH TYR B 37 14.400 -0.413 8.126 1.00 10.00 O ATOM 0 H TYR B 37 20.044 3.631 4.078 1.00 10.00 H new ATOM 0 HA TYR B 37 19.749 2.750 6.823 1.00 10.00 H new ATOM 0 HB2 TYR B 37 17.965 3.839 5.467 1.00 10.00 H new ATOM 0 HB3 TYR B 37 18.091 2.600 4.234 1.00 10.00 H new ATOM 0 HD1 TYR B 37 18.207 2.087 7.935 1.00 10.00 H new ATOM 0 HD2 TYR B 37 15.922 1.601 4.330 1.00 10.00 H new ATOM 0 HE1 TYR B 37 16.563 0.695 9.166 1.00 10.00 H new ATOM 0 HE2 TYR B 37 14.278 0.209 5.560 1.00 10.00 H new ATOM 0 HH TYR B 37 13.691 -0.700 7.513 1.00 10.00 H new ATOM 1353 N PHE B 38 19.616 0.322 4.601 1.00 10.00 N ATOM 1354 CA PHE B 38 19.809 -1.154 4.497 1.00 10.00 C ATOM 1355 C PHE B 38 21.279 -1.529 4.724 1.00 10.00 C ATOM 1356 O PHE B 38 21.598 -2.293 5.614 1.00 10.00 O ATOM 1357 CB PHE B 38 19.372 -1.512 3.077 1.00 10.00 C ATOM 1358 CG PHE B 38 17.868 -1.450 2.981 1.00 10.00 C ATOM 1359 CD1 PHE B 38 17.079 -2.274 3.795 1.00 10.00 C ATOM 1360 CD2 PHE B 38 17.259 -0.572 2.076 1.00 10.00 C ATOM 1361 CE1 PHE B 38 15.684 -2.219 3.704 1.00 10.00 C ATOM 1362 CE2 PHE B 38 15.862 -0.516 1.985 1.00 10.00 C ATOM 1363 CZ PHE B 38 15.075 -1.341 2.798 1.00 10.00 C ATOM 0 H PHE B 38 19.331 0.784 3.738 1.00 10.00 H new ATOM 0 HA PHE B 38 19.235 -1.694 5.250 1.00 10.00 H new ATOM 0 HB2 PHE B 38 19.821 -0.822 2.362 1.00 10.00 H new ATOM 0 HB3 PHE B 38 19.722 -2.511 2.819 1.00 10.00 H new ATOM 0 HD1 PHE B 38 17.548 -2.952 4.493 1.00 10.00 H new ATOM 0 HD2 PHE B 38 17.867 0.062 1.448 1.00 10.00 H new ATOM 0 HE1 PHE B 38 15.077 -2.854 4.332 1.00 10.00 H new ATOM 0 HE2 PHE B 38 15.393 0.163 1.288 1.00 10.00 H new ATOM 0 HZ PHE B 38 13.998 -1.300 2.727 1.00 10.00 H new ATOM 1373 N THR B 39 22.178 -1.008 3.930 1.00 10.00 N ATOM 1374 CA THR B 39 23.620 -1.355 4.115 1.00 10.00 C ATOM 1375 C THR B 39 23.964 -1.395 5.606 1.00 10.00 C ATOM 1376 O THR B 39 24.672 -2.268 6.066 1.00 10.00 O ATOM 1377 CB THR B 39 24.402 -0.243 3.413 1.00 10.00 C ATOM 1378 OG1 THR B 39 24.300 -0.406 2.006 1.00 10.00 O ATOM 1379 CG2 THR B 39 25.872 -0.309 3.830 1.00 10.00 C ATOM 0 H THR B 39 21.979 -0.362 3.166 1.00 10.00 H new ATOM 0 HA THR B 39 23.861 -2.335 3.704 1.00 10.00 H new ATOM 0 HB THR B 39 23.988 0.725 3.697 1.00 10.00 H new ATOM 0 HG1 THR B 39 23.629 0.215 1.653 1.00 10.00 H new ATOM 0 HG21 THR B 39 26.428 0.484 3.329 1.00 10.00 H new ATOM 0 HG22 THR B 39 25.950 -0.181 4.910 1.00 10.00 H new ATOM 0 HG23 THR B 39 26.287 -1.277 3.549 1.00 10.00 H new ATOM 1387 N ARG B 40 23.462 -0.461 6.367 1.00 10.00 N ATOM 1388 CA ARG B 40 23.758 -0.457 7.829 1.00 10.00 C ATOM 1389 C ARG B 40 23.043 -1.629 8.507 1.00 10.00 C ATOM 1390 O ARG B 40 23.608 -2.318 9.332 1.00 10.00 O ATOM 1391 CB ARG B 40 23.215 0.874 8.349 1.00 10.00 C ATOM 1392 CG ARG B 40 24.375 1.740 8.847 1.00 10.00 C ATOM 1393 CD ARG B 40 24.204 3.172 8.334 1.00 10.00 C ATOM 1394 NE ARG B 40 23.624 3.924 9.483 1.00 10.00 N ATOM 1395 CZ ARG B 40 24.338 4.127 10.556 1.00 10.00 C ATOM 1396 NH1 ARG B 40 25.635 4.238 10.466 1.00 10.00 N ATOM 1397 NH2 ARG B 40 23.754 4.220 11.719 1.00 10.00 N ATOM 0 H ARG B 40 22.862 0.297 6.042 1.00 10.00 H new ATOM 0 HA ARG B 40 24.823 -0.564 8.035 1.00 10.00 H new ATOM 0 HB2 ARG B 40 22.674 1.392 7.557 1.00 10.00 H new ATOM 0 HB3 ARG B 40 22.505 0.698 9.157 1.00 10.00 H new ATOM 0 HG2 ARG B 40 24.405 1.734 9.937 1.00 10.00 H new ATOM 0 HG3 ARG B 40 25.323 1.330 8.500 1.00 10.00 H new ATOM 0 HD2 ARG B 40 25.159 3.598 8.025 1.00 10.00 H new ATOM 0 HD3 ARG B 40 23.544 3.205 7.467 1.00 10.00 H new ATOM 0 HE ARG B 40 22.669 4.280 9.430 1.00 10.00 H new ATOM 0 HH11 ARG B 40 26.091 4.166 9.557 1.00 10.00 H new ATOM 0 HH12 ARG B 40 26.193 4.397 11.305 1.00 10.00 H new ATOM 0 HH21 ARG B 40 22.740 4.134 11.789 1.00 10.00 H new ATOM 0 HH22 ARG B 40 24.311 4.379 12.558 1.00 10.00 H new ATOM 1411 N LEU B 41 21.806 -1.862 8.161 1.00 10.00 N ATOM 1412 CA LEU B 41 21.063 -2.993 8.786 1.00 10.00 C ATOM 1413 C LEU B 41 21.958 -4.233 8.835 1.00 10.00 C ATOM 1414 O LEU B 41 21.949 -4.979 9.792 1.00 10.00 O ATOM 1415 CB LEU B 41 19.856 -3.231 7.877 1.00 10.00 C ATOM 1416 CG LEU B 41 18.650 -2.462 8.421 1.00 10.00 C ATOM 1417 CD1 LEU B 41 17.483 -2.576 7.438 1.00 10.00 C ATOM 1418 CD2 LEU B 41 18.238 -3.054 9.771 1.00 10.00 C ATOM 0 H LEU B 41 21.280 -1.320 7.475 1.00 10.00 H new ATOM 0 HA LEU B 41 20.756 -2.777 9.809 1.00 10.00 H new ATOM 0 HB2 LEU B 41 20.082 -2.905 6.862 1.00 10.00 H new ATOM 0 HB3 LEU B 41 19.629 -4.296 7.826 1.00 10.00 H new ATOM 0 HG LEU B 41 18.915 -1.412 8.547 1.00 10.00 H new ATOM 0 HD11 LEU B 41 16.625 -2.028 7.827 1.00 10.00 H new ATOM 0 HD12 LEU B 41 17.776 -2.157 6.475 1.00 10.00 H new ATOM 0 HD13 LEU B 41 17.216 -3.625 7.310 1.00 10.00 H new ATOM 0 HD21 LEU B 41 17.379 -2.508 10.161 1.00 10.00 H new ATOM 0 HD22 LEU B 41 17.973 -4.103 9.642 1.00 10.00 H new ATOM 0 HD23 LEU B 41 19.068 -2.973 10.473 1.00 10.00 H new ATOM 1430 N ARG B 42 22.738 -4.453 7.813 1.00 10.00 N ATOM 1431 CA ARG B 42 23.638 -5.638 7.808 1.00 10.00 C ATOM 1432 C ARG B 42 24.591 -5.569 9.002 1.00 10.00 C ATOM 1433 O ARG B 42 24.966 -6.575 9.571 1.00 10.00 O ATOM 1434 CB ARG B 42 24.412 -5.538 6.495 1.00 10.00 C ATOM 1435 CG ARG B 42 24.033 -6.712 5.593 1.00 10.00 C ATOM 1436 CD ARG B 42 23.354 -6.187 4.328 1.00 10.00 C ATOM 1437 NE ARG B 42 23.343 -7.347 3.396 1.00 10.00 N ATOM 1438 CZ ARG B 42 24.467 -7.828 2.942 1.00 10.00 C ATOM 1439 NH1 ARG B 42 25.093 -8.760 3.608 1.00 10.00 N ATOM 1440 NH2 ARG B 42 24.966 -7.376 1.824 1.00 10.00 N ATOM 0 H ARG B 42 22.790 -3.863 6.982 1.00 10.00 H new ATOM 0 HA ARG B 42 23.093 -6.579 7.886 1.00 10.00 H new ATOM 0 HB2 ARG B 42 24.186 -4.595 5.998 1.00 10.00 H new ATOM 0 HB3 ARG B 42 25.484 -5.546 6.690 1.00 10.00 H new ATOM 0 HG2 ARG B 42 24.923 -7.284 5.330 1.00 10.00 H new ATOM 0 HG3 ARG B 42 23.364 -7.390 6.123 1.00 10.00 H new ATOM 0 HD2 ARG B 42 22.343 -5.838 4.537 1.00 10.00 H new ATOM 0 HD3 ARG B 42 23.901 -5.345 3.905 1.00 10.00 H new ATOM 0 HE ARG B 42 22.457 -7.766 3.112 1.00 10.00 H new ATOM 0 HH11 ARG B 42 24.703 -9.111 4.483 1.00 10.00 H new ATOM 0 HH12 ARG B 42 25.972 -9.137 3.254 1.00 10.00 H new ATOM 0 HH21 ARG B 42 24.477 -6.647 1.305 1.00 10.00 H new ATOM 0 HH22 ARG B 42 25.845 -7.752 1.469 1.00 10.00 H new ATOM 1454 N GLU B 43 24.984 -4.385 9.385 1.00 10.00 N ATOM 1455 CA GLU B 43 25.911 -4.243 10.543 1.00 10.00 C ATOM 1456 C GLU B 43 25.117 -3.949 11.819 1.00 10.00 C ATOM 1457 O GLU B 43 25.678 -3.634 12.848 1.00 10.00 O ATOM 1458 CB GLU B 43 26.810 -3.059 10.187 1.00 10.00 C ATOM 1459 CG GLU B 43 27.521 -3.338 8.862 1.00 10.00 C ATOM 1460 CD GLU B 43 28.841 -2.566 8.817 1.00 10.00 C ATOM 1461 OE1 GLU B 43 29.535 -2.562 9.820 1.00 10.00 O ATOM 1462 OE2 GLU B 43 29.135 -1.992 7.782 1.00 10.00 O ATOM 0 H GLU B 43 24.703 -3.509 8.945 1.00 10.00 H new ATOM 0 HA GLU B 43 26.486 -5.150 10.727 1.00 10.00 H new ATOM 0 HB2 GLU B 43 26.216 -2.149 10.108 1.00 10.00 H new ATOM 0 HB3 GLU B 43 27.542 -2.894 10.977 1.00 10.00 H new ATOM 0 HG2 GLU B 43 27.709 -4.406 8.756 1.00 10.00 H new ATOM 0 HG3 GLU B 43 26.886 -3.042 8.027 1.00 10.00 H new ATOM 1469 N ALA B 44 23.815 -4.053 11.758 1.00 10.00 N ATOM 1470 CA ALA B 44 22.986 -3.782 12.969 1.00 10.00 C ATOM 1471 C ALA B 44 23.697 -4.293 14.214 1.00 10.00 C ATOM 1472 O ALA B 44 24.209 -3.533 15.011 1.00 10.00 O ATOM 1473 CB ALA B 44 21.702 -4.583 12.773 1.00 10.00 C ATOM 0 H ALA B 44 23.291 -4.314 10.923 1.00 10.00 H new ATOM 0 HA ALA B 44 22.801 -2.715 13.094 1.00 10.00 H new ATOM 0 HB1 ALA B 44 21.044 -4.430 13.628 1.00 10.00 H new ATOM 0 HB2 ALA B 44 21.200 -4.249 11.865 1.00 10.00 H new ATOM 0 HB3 ALA B 44 21.944 -5.642 12.686 1.00 10.00 H new ATOM 1479 N ARG B 45 23.710 -5.588 14.375 1.00 10.00 N ATOM 1480 CA ARG B 45 24.360 -6.215 15.556 1.00 10.00 C ATOM 1481 C ARG B 45 24.858 -5.155 16.544 1.00 10.00 C ATOM 1482 O ARG B 45 25.870 -4.517 16.328 1.00 10.00 O ATOM 1483 CB ARG B 45 25.532 -7.013 14.983 1.00 10.00 C ATOM 1484 CG ARG B 45 26.475 -7.429 16.114 1.00 10.00 C ATOM 1485 CD ARG B 45 26.463 -8.952 16.253 1.00 10.00 C ATOM 1486 NE ARG B 45 27.695 -9.411 15.555 1.00 10.00 N ATOM 1487 CZ ARG B 45 28.832 -9.448 16.193 1.00 10.00 C ATOM 1488 NH1 ARG B 45 28.904 -10.016 17.365 1.00 10.00 N ATOM 1489 NH2 ARG B 45 29.897 -8.915 15.659 1.00 10.00 N ATOM 0 H ARG B 45 23.288 -6.249 13.723 1.00 10.00 H new ATOM 0 HA ARG B 45 23.665 -6.844 16.113 1.00 10.00 H new ATOM 0 HB2 ARG B 45 25.163 -7.896 14.461 1.00 10.00 H new ATOM 0 HB3 ARG B 45 26.070 -6.412 14.250 1.00 10.00 H new ATOM 0 HG2 ARG B 45 27.486 -7.080 15.906 1.00 10.00 H new ATOM 0 HG3 ARG B 45 26.164 -6.965 17.050 1.00 10.00 H new ATOM 0 HD2 ARG B 45 26.467 -9.253 17.301 1.00 10.00 H new ATOM 0 HD3 ARG B 45 25.569 -9.383 15.801 1.00 10.00 H new ATOM 0 HE ARG B 45 27.650 -9.697 14.577 1.00 10.00 H new ATOM 0 HH11 ARG B 45 28.071 -10.431 17.783 1.00 10.00 H new ATOM 0 HH12 ARG B 45 29.793 -10.045 17.864 1.00 10.00 H new ATOM 0 HH21 ARG B 45 29.840 -8.470 14.743 1.00 10.00 H new ATOM 0 HH22 ARG B 45 30.786 -8.944 16.158 1.00 10.00 H new ATOM 1503 N ARG B 46 24.156 -4.963 17.626 1.00 10.00 N ATOM 1504 CA ARG B 46 24.591 -3.944 18.625 1.00 10.00 C ATOM 1505 C ARG B 46 24.959 -2.637 17.920 1.00 10.00 C ATOM 1506 O ARG B 46 24.173 -2.186 17.102 1.00 10.00 O ATOM 1507 CB ARG B 46 25.820 -4.554 19.301 1.00 10.00 C ATOM 1508 CG ARG B 46 26.062 -3.860 20.642 1.00 10.00 C ATOM 1509 CD ARG B 46 24.933 -4.217 21.613 1.00 10.00 C ATOM 1510 NE ARG B 46 24.931 -5.704 21.668 1.00 10.00 N ATOM 1511 CZ ARG B 46 24.034 -6.381 21.005 1.00 10.00 C ATOM 1512 NH1 ARG B 46 22.798 -5.963 20.968 1.00 10.00 N ATOM 1513 NH2 ARG B 46 24.372 -7.474 20.377 1.00 10.00 N ATOM 1514 OXT ARG B 46 26.018 -2.108 18.211 1.00 10.00 O ATOM 0 H ARG B 46 23.301 -5.466 17.863 1.00 10.00 H new ATOM 0 HA ARG B 46 23.806 -3.707 19.343 1.00 10.00 H new ATOM 0 HB2 ARG B 46 25.671 -5.623 19.454 1.00 10.00 H new ATOM 0 HB3 ARG B 46 26.694 -4.443 18.659 1.00 10.00 H new ATOM 0 HG2 ARG B 46 27.022 -4.168 21.055 1.00 10.00 H new ATOM 0 HG3 ARG B 46 26.107 -2.780 20.502 1.00 10.00 H new ATOM 0 HD2 ARG B 46 25.108 -3.785 22.598 1.00 10.00 H new ATOM 0 HD3 ARG B 46 23.975 -3.833 21.263 1.00 10.00 H new ATOM 0 HE ARG B 46 25.631 -6.194 22.224 1.00 10.00 H new ATOM 0 HH11 ARG B 46 22.534 -5.108 21.457 1.00 10.00 H new ATOM 0 HH12 ARG B 46 22.096 -6.492 20.450 1.00 10.00 H new ATOM 0 HH21 ARG B 46 25.338 -7.800 20.404 1.00 10.00 H new ATOM 0 HH22 ARG B 46 23.670 -8.002 19.859 1.00 10.00 H new TER 1528 ARG B 46